NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
8029 | 1ld5 | 5381 | cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ARG 1 1HT ARG 1 -4.178 -14.453 0.289 2 2H ARG 1 2HT ARG 1 -5.683 -15.037 -0.290 3 3H ARG 1 3HT ARG 1 -5.637 -13.927 1.018 4 HA ARG 1 HA ARG 1 -4.491 -12.381 -0.564 5 1HB ARG 1 2HB ARG 1 -4.021 -14.141 -2.233 6 2HB ARG 1 1HB ARG 1 -5.749 -14.352 -2.485 7 1HG ARG 1 2HG ARG 1 -5.794 -11.899 -3.147 8 2HG ARG 1 1HG ARG 1 -4.033 -12.004 -3.216 9 1HD ARG 1 2HD ARG 1 -4.997 -12.356 -5.419 10 2HD ARG 1 1HD ARG 1 -4.211 -13.824 -4.844 11 HE ARG 1 HE ARG 1 -7.131 -13.406 -4.768 12 1HH1 ARG 1 1HH1 ARG 1 -4.353 -15.468 -5.311 13 2HH1 ARG 1 2HH1 ARG 1 -5.312 -16.856 -5.686 14 1HH2 ARG 1 1HH2 ARG 1 -8.375 -15.246 -5.259 15 2HH2 ARG 1 2HH2 ARG 1 -7.584 -16.734 -5.657 16 HA PRO 2 HA PRO 2 -8.905 -11.450 0.448 17 1HB PRO 2 2HB PRO 2 -7.763 -8.866 1.245 18 2HB PRO 2 1HB PRO 2 -8.765 -9.984 2.178 19 1HG PRO 2 2HG PRO 2 -6.148 -9.610 2.705 20 2HG PRO 2 1HG PRO 2 -6.952 -11.175 2.942 21 1HD PRO 2 2HD PRO 2 -5.160 -10.282 0.717 22 2HD PRO 2 1HD PRO 2 -5.255 -11.860 1.529 23 H ASP 3 H ASP 3 -10.344 -9.953 -0.524 24 HA ASP 3 HA ASP 3 -9.914 -9.343 -3.172 25 1HB ASP 3 2HB ASP 3 -11.805 -8.139 -1.156 26 2HB ASP 3 1HB ASP 3 -11.825 -7.668 -2.854 27 H PHE 4 H PHE 4 -9.882 -6.974 -0.499 28 HA PHE 4 HA PHE 4 -9.135 -4.760 -1.926 29 1HB PHE 4 2HB PHE 4 -8.467 -3.809 0.167 30 2HB PHE 4 1HB PHE 4 -9.881 -4.809 0.435 31 HD1 PHE 4 1HD PHE 4 -6.204 -4.685 0.812 32 HD2 PHE 4 2HD PHE 4 -9.833 -6.594 1.946 33 HE1 PHE 4 1HE PHE 4 -5.013 -5.890 2.594 34 HE2 PHE 4 2HE PHE 4 -8.648 -7.799 3.727 35 HZ PHE 4 HZ PHE 4 -6.236 -7.451 4.052 36 H CYS 5 H CYS 5 -7.135 -7.475 -1.025 37 HA CYS 5 HA CYS 5 -4.614 -6.260 -1.083 38 1HB CYS 5 2HB CYS 5 -4.851 -8.558 -0.345 39 2HB CYS 5 1HB CYS 5 -5.417 -9.050 -1.940 40 H LEU 6 H LEU 6 -6.833 -7.041 -3.620 41 HA LEU 6 HA LEU 6 -4.861 -6.588 -5.715 42 1HB LEU 6 2HB LEU 6 -7.793 -6.959 -6.201 43 2HB LEU 6 1HB LEU 6 -6.442 -7.393 -7.229 44 HG LEU 6 HG LEU 6 -6.811 -8.804 -4.616 45 1HD1 LEU 6 1HD1 LEU 6 -8.875 -9.399 -5.263 46 2HD1 LEU 6 2HD1 LEU 6 -8.018 -10.486 -6.355 47 3HD1 LEU 6 3HD1 LEU 6 -8.600 -8.928 -6.941 48 1HD2 LEU 6 1HD2 LEU 6 -5.873 -10.672 -6.053 49 2HD2 LEU 6 2HD2 LEU 6 -4.788 -9.325 -5.714 50 3HD2 LEU 6 3HD2 LEU 6 -5.581 -9.446 -7.285 51 H GLU 7 H GLU 7 -5.927 -4.471 -3.780 52 HA GLU 7 HA GLU 7 -7.174 -2.623 -5.671 53 1HB GLU 7 2HB GLU 7 -8.045 -3.002 -3.295 54 2HB GLU 7 1HB GLU 7 -6.633 -2.110 -2.752 55 1HG GLU 7 2HG GLU 7 -7.474 -0.294 -4.412 56 2HG GLU 7 1HG GLU 7 -9.012 -1.145 -4.268 57 HA PRO 8 HA PRO 8 -3.171 -0.825 -6.532 58 1HB PRO 8 2HB PRO 8 -4.795 1.510 -7.361 59 2HB PRO 8 1HB PRO 8 -3.591 0.597 -8.275 60 1HG PRO 8 2HG PRO 8 -6.201 0.357 -8.789 61 2HG PRO 8 1HG PRO 8 -5.105 -1.033 -8.896 62 1HD PRO 8 2HD PRO 8 -7.068 -0.319 -6.760 63 2HD PRO 8 1HD PRO 8 -6.633 -1.915 -7.411 64 HA PRO 9 HA PRO 9 -2.405 1.854 -3.081 65 1HB PRO 9 2HB PRO 9 -0.232 3.214 -3.961 66 2HB PRO 9 1HB PRO 9 -0.154 1.515 -3.488 67 1HG PRO 9 2HG PRO 9 -0.359 2.711 -6.226 68 2HG PRO 9 1HG PRO 9 0.667 1.378 -5.660 69 1HD PRO 9 2HD PRO 9 -1.640 0.967 -7.018 70 2HD PRO 9 1HD PRO 9 -1.047 -0.160 -5.773 71 H TYR 10 H TYR 10 -2.627 4.031 -2.394 72 HA TYR 10 HA TYR 10 -3.440 5.953 -4.478 73 1HB TYR 10 2HB TYR 10 -5.328 4.779 -3.039 74 2HB TYR 10 1HB TYR 10 -4.864 5.995 -1.852 75 HD1 TYR 10 1HD TYR 10 -6.026 7.984 -1.888 76 HD2 TYR 10 2HD TYR 10 -5.611 5.794 -5.513 77 HE1 TYR 10 1HE TYR 10 -7.384 9.672 -3.057 78 HE2 TYR 10 2HE TYR 10 -6.968 7.472 -6.691 79 HH TYR 10 HH TYR 10 -8.948 9.387 -5.519 80 H THR 11 H THR 11 -2.026 7.524 -4.441 81 HA THR 11 HA THR 11 -0.633 8.255 -1.992 82 HB THR 11 HB THR 11 -0.323 9.375 -4.788 83 HG1 THR 11 1HG THR 11 0.079 7.144 -4.753 84 1HG2 THR 11 1HG2 THR 11 0.692 10.662 -2.853 85 2HG2 THR 11 2HG2 THR 11 1.781 10.174 -4.152 86 3HG2 THR 11 3HG2 THR 11 1.752 9.273 -2.639 87 H GLY 12 H GLY 12 -3.377 9.317 -3.739 88 1HA GLY 12 2HA GLY 12 -4.759 11.099 -3.542 89 2HA GLY 12 1HA GLY 12 -4.052 11.280 -1.949 90 HA PRO 13 HA PRO 13 -2.567 14.719 -4.808 91 1HB PRO 13 2HB PRO 13 -4.436 16.610 -4.656 92 2HB PRO 13 1HB PRO 13 -4.631 15.223 -5.735 93 1HG PRO 13 2HG PRO 13 -5.880 15.749 -3.076 94 2HG PRO 13 1HG PRO 13 -6.584 14.998 -4.517 95 1HD PRO 13 2HD PRO 13 -5.557 13.642 -2.299 96 2HD PRO 13 1HD PRO 13 -5.878 12.929 -3.894 97 H CYS 14 H CYS 14 -2.632 14.174 -1.706 98 HA CYS 14 HA CYS 14 -2.498 16.822 -0.592 99 1HB CYS 14 2HB CYS 14 -2.115 14.056 0.438 100 2HB CYS 14 1HB CYS 14 -1.396 15.383 1.343 101 H ARG 15 H ARG 15 -0.511 17.258 0.845 102 HA ARG 15 HA ARG 15 1.883 17.003 -0.859 103 1HB ARG 15 2HB ARG 15 0.718 19.314 -0.349 104 2HB ARG 15 1HB ARG 15 1.599 19.185 1.167 105 1HG ARG 15 2HG ARG 15 3.029 18.836 -1.433 106 2HG ARG 15 1HG ARG 15 2.657 20.449 -0.823 107 1HD ARG 15 2HD ARG 15 4.165 20.307 0.853 108 2HD ARG 15 1HD ARG 15 3.863 18.596 1.120 109 HE ARG 15 HE ARG 15 5.457 18.067 -0.497 110 1HH1 ARG 15 1HH1 ARG 15 5.075 21.532 -0.196 111 2HH1 ARG 15 2HH1 ARG 15 6.553 21.884 -1.024 112 1HH2 ARG 15 1HH2 ARG 15 7.395 18.543 -1.583 113 2HH2 ARG 15 2HH2 ARG 15 7.865 20.194 -1.811 114 H VAL 16 H VAL 16 2.311 14.981 0.264 115 HA VAL 16 HA VAL 16 3.863 15.458 2.689 116 HB VAL 16 HB VAL 16 2.091 13.031 2.616 117 1HG1 VAL 16 1HG1 VAL 16 2.388 13.796 5.214 118 2HG1 VAL 16 2HG1 VAL 16 3.917 14.316 4.506 119 3HG1 VAL 16 3HG1 VAL 16 3.415 12.631 4.377 120 1HG2 VAL 16 1HG2 VAL 16 1.319 15.637 3.930 121 2HG2 VAL 16 2HG2 VAL 16 0.392 14.133 3.912 122 3HG2 VAL 16 3HG2 VAL 16 0.625 15.041 2.420 123 H ARG 17 H ARG 17 4.946 13.170 3.264 124 HA ARG 17 HA ARG 17 5.729 11.760 0.824 125 1HB ARG 17 2HB ARG 17 7.328 13.684 1.325 126 2HB ARG 17 1HB ARG 17 7.786 12.800 2.774 127 1HG ARG 17 2HG ARG 17 8.042 10.892 0.835 128 2HG ARG 17 1HG ARG 17 8.532 12.362 -0.013 129 1HD ARG 17 2HD ARG 17 9.638 12.061 2.694 130 2HD ARG 17 1HD ARG 17 10.169 10.844 1.537 131 HE ARG 17 HE ARG 17 11.227 12.508 0.284 132 1HH1 ARG 17 1HH1 ARG 17 9.591 13.862 3.062 133 2HH1 ARG 17 2HH1 ARG 17 10.428 15.373 2.969 134 1HH2 ARG 17 1HH2 ARG 17 12.317 14.499 0.165 135 2HH2 ARG 17 2HH2 ARG 17 11.973 15.737 1.327 136 H ILE 18 H ILE 18 4.475 10.053 1.757 137 HA ILE 18 HA ILE 18 5.690 8.808 4.135 138 HB ILE 18 HB ILE 18 2.885 8.555 3.040 139 1HG1 ILE 18 2HG1 ILE 18 4.022 9.874 5.508 140 2HG1 ILE 18 1HG1 ILE 18 3.128 10.634 4.198 141 1HG2 ILE 18 1HG2 ILE 18 2.358 7.010 4.699 142 2HG2 ILE 18 2HG2 ILE 18 3.834 7.341 5.608 143 3HG2 ILE 18 3HG2 ILE 18 3.914 6.460 4.085 144 1HD1 ILE 18 1HD1 ILE 18 1.456 10.506 5.701 145 2HD1 ILE 18 2HD1 ILE 18 2.156 9.115 6.529 146 3HD1 ILE 18 3HD1 ILE 18 1.281 8.891 5.014 147 H ILE 19 H ILE 19 6.328 6.687 4.059 148 HA ILE 19 HA ILE 19 6.418 5.495 1.385 149 HB ILE 19 HB ILE 19 7.971 4.838 3.896 150 1HG1 ILE 19 2HG1 ILE 19 9.852 5.593 2.172 151 2HG1 ILE 19 1HG1 ILE 19 8.510 6.508 1.492 152 1HG2 ILE 19 1HG2 ILE 19 9.021 3.777 1.401 153 2HG2 ILE 19 2HG2 ILE 19 7.432 3.122 1.797 154 3HG2 ILE 19 3HG2 ILE 19 8.759 2.975 2.949 155 1HD1 ILE 19 1HD1 ILE 19 9.860 6.799 4.127 156 2HD1 ILE 19 2HD1 ILE 19 8.173 7.287 3.958 157 3HD1 ILE 19 3HD1 ILE 19 9.410 8.028 2.945 158 H ARG 20 H ARG 20 4.286 4.690 1.338 159 HA ARG 20 HA ARG 20 3.529 2.753 3.389 160 1HB ARG 20 2HB ARG 20 2.035 4.009 1.097 161 2HB ARG 20 1HB ARG 20 1.364 2.687 2.037 162 1HG ARG 20 2HG ARG 20 2.171 5.392 3.080 163 2HG ARG 20 1HG ARG 20 0.524 4.810 2.826 164 1HD ARG 20 2HD ARG 20 0.514 3.918 4.856 165 2HD ARG 20 1HD ARG 20 1.898 2.917 4.433 166 HE ARG 20 HE ARG 20 3.284 4.884 5.120 167 1HH1 ARG 20 1HH1 ARG 20 0.108 4.353 6.495 168 2HH1 ARG 20 2HH1 ARG 20 0.468 5.217 7.949 169 1HH2 ARG 20 1HH2 ARG 20 3.743 6.004 7.033 170 2HH2 ARG 20 2HH2 ARG 20 2.528 6.154 8.257 171 H TYR 21 H TYR 21 2.421 0.712 2.547 172 HA TYR 21 HA TYR 21 4.024 -0.419 0.343 173 1HB TYR 21 2HB TYR 21 3.206 -1.562 2.998 174 2HB TYR 21 1HB TYR 21 3.623 -2.618 1.651 175 HD1 TYR 21 1HD TYR 21 4.901 -0.164 4.061 176 HD2 TYR 21 2HD TYR 21 5.911 -2.821 0.897 177 HE1 TYR 21 1HE TYR 21 7.278 0.054 4.646 178 HE2 TYR 21 2HE TYR 21 8.290 -2.613 1.475 179 HH TYR 21 HH TYR 21 9.351 -0.952 4.355 180 H PHE 22 H PHE 22 3.017 -2.004 -0.974 181 HA PHE 22 HA PHE 22 0.176 -2.520 -0.623 182 1HB PHE 22 2HB PHE 22 -0.560 -1.638 -2.691 183 2HB PHE 22 1HB PHE 22 0.425 -0.379 -1.977 184 HD1 PHE 22 1HD PHE 22 -0.179 -2.316 -4.853 185 HD2 PHE 22 2HD PHE 22 2.917 -0.301 -2.738 186 HE1 PHE 22 1HE PHE 22 1.180 -2.262 -6.906 187 HE2 PHE 22 2HE PHE 22 4.282 -0.240 -4.786 188 HZ PHE 22 HZ PHE 22 3.414 -1.230 -6.870 189 H TYR 23 H TYR 23 -0.578 -3.913 -2.584 190 HA TYR 23 HA TYR 23 1.461 -6.019 -2.953 191 1HB TYR 23 2HB TYR 23 -0.569 -6.768 -1.850 192 2HB TYR 23 1HB TYR 23 -1.563 -6.116 -3.156 193 HD1 TYR 23 1HD TYR 23 -2.248 -7.546 -4.840 194 HD2 TYR 23 2HD TYR 23 1.229 -8.534 -2.598 195 HE1 TYR 23 1HE TYR 23 -2.094 -9.690 -6.035 196 HE2 TYR 23 2HE TYR 23 1.392 -10.681 -3.786 197 HH TYR 23 HH TYR 23 0.671 -11.725 -5.810 198 H ASN 24 H ASN 24 2.560 -5.547 -4.798 199 HA ASN 24 HA ASN 24 1.284 -4.468 -7.127 200 1HB ASN 24 2HB ASN 24 3.678 -4.077 -6.396 201 2HB ASN 24 1HB ASN 24 4.030 -5.721 -6.946 202 1HD2 ASN 24 1HD2 ASN 24 4.544 -2.744 -7.800 203 2HD2 ASN 24 2HD2 ASN 24 4.355 -2.827 -9.537 204 H ALA 25 H ALA 25 0.192 -5.581 -8.612 205 HA ALA 25 HA ALA 25 0.185 -8.473 -8.549 206 1HB ALA 25 1HB ALA 25 -1.957 -7.717 -8.838 207 2HB ALA 25 2HB ALA 25 -1.498 -8.028 -10.512 208 3HB ALA 25 3HB ALA 25 -1.465 -6.382 -9.880 209 H LYS 26 H LYS 26 2.384 -6.572 -9.806 210 HA LYS 26 HA LYS 26 2.622 -8.001 -12.375 211 1HB LYS 26 2HB LYS 26 4.215 -5.578 -11.537 212 2HB LYS 26 1HB LYS 26 4.010 -6.235 -13.155 213 1HG LYS 26 2HG LYS 26 1.557 -5.656 -12.933 214 2HG LYS 26 1HG LYS 26 2.006 -4.737 -11.494 215 1HD LYS 26 2HD LYS 26 2.333 -3.034 -12.912 216 2HD LYS 26 1HD LYS 26 3.832 -3.862 -13.336 217 1HE LYS 26 2HE LYS 26 1.410 -4.783 -14.742 218 2HE LYS 26 1HE LYS 26 1.946 -3.147 -15.126 219 1HZ LYS 26 1HZ LYS 26 4.251 -4.457 -15.258 220 2HZ LYS 26 2HZ LYS 26 3.232 -4.245 -16.590 221 3HZ LYS 26 3HZ LYS 26 3.201 -5.699 -15.725 222 H ALA 27 H ALA 27 4.278 -7.009 -9.446 223 HA ALA 27 HA ALA 27 6.496 -8.830 -10.003 224 1HB ALA 27 1HB ALA 27 6.655 -6.383 -9.036 225 2HB ALA 27 2HB ALA 27 7.749 -7.653 -8.487 226 3HB ALA 27 3HB ALA 27 6.350 -7.210 -7.506 227 H GLY 28 H GLY 28 3.519 -8.740 -8.370 228 1HA GLY 28 2HA GLY 28 2.440 -10.326 -7.157 229 2HA GLY 28 1HA GLY 28 3.843 -11.317 -7.404 230 H LEU 29 H LEU 29 5.063 -8.655 -6.145 231 HA LEU 29 HA LEU 29 4.808 -9.637 -3.383 232 1HB LEU 29 2HB LEU 29 7.083 -8.461 -3.087 233 2HB LEU 29 1HB LEU 29 7.034 -10.023 -3.878 234 HG LEU 29 HG LEU 29 6.918 -8.514 -6.063 235 1HD1 LEU 29 1HD1 LEU 29 8.714 -6.649 -5.434 236 2HD1 LEU 29 2HD1 LEU 29 7.824 -6.702 -3.911 237 3HD1 LEU 29 3HD1 LEU 29 6.975 -6.347 -5.415 238 1HD2 LEU 29 1HD2 LEU 29 8.699 -10.181 -5.093 239 2HD2 LEU 29 2HD2 LEU 29 9.599 -8.697 -4.782 240 3HD2 LEU 29 3HD2 LEU 29 9.104 -9.099 -6.427 241 H CYS 30 H CYS 30 5.350 -7.885 -1.728 242 HA CYS 30 HA CYS 30 3.633 -5.648 -2.285 243 1HB CYS 30 2HB CYS 30 4.917 -6.830 0.141 244 2HB CYS 30 1HB CYS 30 4.294 -5.185 0.206 245 H GLN 31 H GLN 31 4.306 -3.719 -2.934 246 HA GLN 31 HA GLN 31 7.128 -3.003 -2.493 247 1HB GLN 31 2HB GLN 31 5.327 -2.034 -4.713 248 2HB GLN 31 1HB GLN 31 7.042 -1.699 -4.536 249 1HG GLN 31 2HG GLN 31 7.051 -4.404 -4.535 250 2HG GLN 31 1HG GLN 31 5.676 -4.072 -5.588 251 1HE2 GLN 31 1HE2 GLN 31 6.478 -4.533 -7.550 252 2HE2 GLN 31 2HE2 GLN 31 7.865 -3.779 -8.251 253 H THR 32 H THR 32 7.483 -0.567 -2.549 254 HA THR 32 HA THR 32 5.480 0.669 -0.795 255 HB THR 32 HB THR 32 7.170 1.797 0.298 256 HG1 THR 32 1HG THR 32 8.170 2.905 -1.273 257 1HG2 THR 32 1HG2 THR 32 8.472 0.181 1.086 258 2HG2 THR 32 2HG2 THR 32 9.226 -0.092 -0.484 259 3HG2 THR 32 3HG2 THR 32 7.695 -0.874 -0.094 260 H PHE 33 H PHE 33 5.377 3.088 -0.882 261 HA PHE 33 HA PHE 33 6.017 4.363 -3.373 262 1HB PHE 33 2HB PHE 33 3.652 5.014 -3.895 263 2HB PHE 33 1HB PHE 33 4.023 3.320 -4.163 264 HD1 PHE 33 1HD PHE 33 3.618 1.902 -1.815 265 HD2 PHE 33 2HD PHE 33 1.568 5.404 -3.096 266 HE1 PHE 33 1HE PHE 33 1.708 1.300 -0.392 267 HE2 PHE 33 2HE PHE 33 -0.347 4.805 -1.676 268 HZ PHE 33 HZ PHE 33 -0.278 2.752 -0.320 269 H VAL 34 H VAL 34 5.533 6.623 -3.386 270 HA VAL 34 HA VAL 34 5.892 7.795 -0.776 271 HB VAL 34 HB VAL 34 5.723 9.183 -3.449 272 1HG1 VAL 34 1HG1 VAL 34 7.081 10.120 -0.931 273 2HG1 VAL 34 2HG1 VAL 34 5.419 10.544 -1.342 274 3HG1 VAL 34 3HG1 VAL 34 6.743 11.042 -2.395 275 1HG2 VAL 34 1HG2 VAL 34 8.029 7.903 -2.010 276 2HG2 VAL 34 2HG2 VAL 34 8.268 9.191 -3.191 277 3HG2 VAL 34 3HG2 VAL 34 7.506 7.676 -3.679 278 H TYR 35 H TYR 35 3.714 7.121 -0.110 279 HA TYR 35 HA TYR 35 1.338 8.244 -1.131 280 1HB TYR 35 2HB TYR 35 1.192 6.327 0.256 281 2HB TYR 35 1HB TYR 35 2.122 7.096 1.536 282 HD1 TYR 35 1HD TYR 35 -0.699 8.608 -0.259 283 HD2 TYR 35 2HD TYR 35 0.645 6.831 3.306 284 HE1 TYR 35 1HE TYR 35 -2.777 9.306 0.848 285 HE2 TYR 35 2HE TYR 35 -1.420 7.501 4.449 286 HH TYR 35 HH TYR 35 -3.203 9.399 4.072 287 H GLY 36 H GLY 36 0.231 10.158 -0.643 288 1HA GLY 36 2HA GLY 36 1.823 12.134 0.826 289 2HA GLY 36 1HA GLY 36 0.639 12.513 -0.402 290 H GLY 37 H GLY 37 -0.270 10.246 2.097 291 1HA GLY 37 2HA GLY 37 -1.682 10.445 3.881 292 2HA GLY 37 1HA GLY 37 -1.131 12.087 4.005 293 H CYS 38 H CYS 38 -2.661 11.103 1.089 294 HA CYS 38 HA CYS 38 -5.086 12.541 1.943 295 1HB CYS 38 2HB CYS 38 -3.400 12.986 -0.310 296 2HB CYS 38 1HB CYS 38 -4.969 12.452 -0.893 297 H ARG 39 H ARG 39 -6.766 11.280 2.227 298 HA ARG 39 HA ARG 39 -8.166 9.479 2.149 299 1HB ARG 39 2HB ARG 39 -8.422 10.948 -0.072 300 2HB ARG 39 1HB ARG 39 -7.947 9.425 -0.813 301 1HG ARG 39 2HG ARG 39 -10.193 9.601 1.169 302 2HG ARG 39 1HG ARG 39 -10.430 9.878 -0.558 303 1HD ARG 39 2HD ARG 39 -10.852 7.647 -0.511 304 2HD ARG 39 1HD ARG 39 -9.101 7.585 -0.710 305 HE ARG 39 HE ARG 39 -8.933 6.683 1.384 306 1HH1 ARG 39 1HH1 ARG 39 -12.086 8.121 1.024 307 2HH1 ARG 39 2HH1 ARG 39 -12.680 7.507 2.529 308 1HH2 ARG 39 1HH2 ARG 39 -9.708 5.870 3.372 309 2HH2 ARG 39 2HH2 ARG 39 -11.329 6.229 3.866 310 H ALA 40 H ALA 40 -5.899 8.388 2.835 311 HA ALA 40 HA ALA 40 -4.589 6.609 1.167 312 1HB ALA 40 1HB ALA 40 -3.489 6.258 3.060 313 2HB ALA 40 2HB ALA 40 -4.852 5.317 3.665 314 3HB ALA 40 3HB ALA 40 -4.769 7.050 3.977 315 H LYS 41 H LYS 41 -5.190 4.867 0.075 316 HA LYS 41 HA LYS 41 -7.856 3.871 0.255 317 1HB LYS 41 2HB LYS 41 -5.504 3.430 -1.467 318 2HB LYS 41 1HB LYS 41 -6.588 2.057 -1.317 319 1HG LYS 41 2HG LYS 41 -7.679 4.760 -1.958 320 2HG LYS 41 1HG LYS 41 -6.942 3.773 -3.221 321 1HD LYS 41 2HD LYS 41 -8.651 2.303 -3.253 322 2HD LYS 41 1HD LYS 41 -8.895 2.389 -1.507 323 1HE LYS 41 2HE LYS 41 -10.828 3.360 -2.364 324 2HE LYS 41 1HE LYS 41 -9.816 4.749 -1.971 325 1HZ LYS 41 1HZ LYS 41 -10.868 4.950 -4.151 326 2HZ LYS 41 2HZ LYS 41 -10.080 3.547 -4.673 327 3HZ LYS 41 3HZ LYS 41 -9.180 4.923 -4.276 328 H ARG 42 H ARG 42 -7.831 1.223 -0.024 329 HA ARG 42 HA ARG 42 -7.353 0.316 2.643 330 1HB ARG 42 2HB ARG 42 -8.161 -1.303 0.217 331 2HB ARG 42 1HB ARG 42 -8.302 -1.800 1.906 332 1HG ARG 42 2HG ARG 42 -9.655 0.631 1.758 333 2HG ARG 42 1HG ARG 42 -10.105 -0.234 0.286 334 1HD ARG 42 2HD ARG 42 -10.101 -1.835 2.758 335 2HD ARG 42 1HD ARG 42 -11.320 -0.564 2.677 336 HE ARG 42 HE ARG 42 -11.168 -2.240 0.332 337 1HH1 ARG 42 1HH1 ARG 42 -12.639 -1.780 3.464 338 2HH1 ARG 42 2HH1 ARG 42 -14.024 -2.751 3.093 339 1HH2 ARG 42 1HH2 ARG 42 -12.985 -3.523 -0.152 340 2HH2 ARG 42 2HH2 ARG 42 -14.220 -3.742 1.043 341 H ASN 43 H ASN 43 -5.798 -0.241 -0.490 342 HA ASN 43 HA ASN 43 -3.969 -2.158 0.650 343 1HB ASN 43 2HB ASN 43 -4.909 -1.915 -1.846 344 2HB ASN 43 1HB ASN 43 -3.435 -0.972 -2.021 345 1HD2 ASN 43 1HD2 ASN 43 -4.797 -4.092 -1.730 346 2HD2 ASN 43 2HD2 ASN 43 -3.325 -4.991 -1.838 347 H ASN 44 H ASN 44 -3.474 -0.391 2.270 348 HA ASN 44 HA ASN 44 -0.956 0.866 1.473 349 1HB ASN 44 2HB ASN 44 -3.190 2.345 2.884 350 2HB ASN 44 1HB ASN 44 -1.573 2.978 2.591 351 1HD2 ASN 44 1HD2 ASN 44 -1.681 4.474 1.093 352 2HD2 ASN 44 2HD2 ASN 44 -2.573 4.368 -0.393 353 H PHE 45 H PHE 45 0.260 -0.474 2.774 354 HA PHE 45 HA PHE 45 -0.460 -0.649 5.619 355 1HB PHE 45 2HB PHE 45 1.715 -2.204 4.208 356 2HB PHE 45 1HB PHE 45 0.968 -2.552 5.763 357 HD1 PHE 45 1HD PHE 45 0.716 -2.946 2.182 358 HD2 PHE 45 2HD PHE 45 -1.370 -3.328 5.865 359 HE1 PHE 45 1HE PHE 45 -0.979 -4.340 1.069 360 HE2 PHE 45 2HE PHE 45 -3.069 -4.718 4.761 361 HZ PHE 45 HZ PHE 45 -2.875 -5.229 2.360 362 H LYS 46 H LYS 46 1.194 -0.342 7.229 363 HA LYS 46 HA LYS 46 2.830 1.949 6.622 364 1HB LYS 46 2HB LYS 46 1.523 1.051 8.877 365 2HB LYS 46 1HB LYS 46 3.209 0.720 9.252 366 1HG LYS 46 2HG LYS 46 3.749 3.070 8.728 367 2HG LYS 46 1HG LYS 46 2.032 3.376 8.471 368 1HD LYS 46 2HD LYS 46 1.710 2.456 10.843 369 2HD LYS 46 1HD LYS 46 3.453 2.670 11.020 370 1HE LYS 46 2HE LYS 46 3.074 5.067 10.253 371 2HE LYS 46 1HE LYS 46 1.356 4.763 10.510 372 1HZ LYS 46 1HZ LYS 46 1.864 4.197 12.822 373 2HZ LYS 46 2HZ LYS 46 2.322 5.783 12.450 374 3HZ LYS 46 3HZ LYS 46 3.494 4.568 12.562 375 H SER 47 H SER 47 3.290 -1.421 6.610 376 HA SER 47 HA SER 47 6.100 -1.083 6.069 377 1HB SER 47 2HB SER 47 6.262 -3.173 7.865 378 2HB SER 47 1HB SER 47 6.770 -1.517 8.163 379 HG SER 47 HG SER 47 5.229 -2.525 9.698 380 H ALA 48 H ALA 48 7.104 -2.981 5.214 381 HA ALA 48 HA ALA 48 5.524 -4.410 3.413 382 1HB ALA 48 1HB ALA 48 8.232 -4.095 3.865 383 2HB ALA 48 2HB ALA 48 7.494 -5.091 2.610 384 3HB ALA 48 3HB ALA 48 7.962 -5.816 4.148 385 H GLU 49 H GLU 49 6.462 -5.085 6.713 386 HA GLU 49 HA GLU 49 5.736 -7.828 6.722 387 1HB GLU 49 2HB GLU 49 6.244 -5.770 8.837 388 2HB GLU 49 1HB GLU 49 5.494 -7.296 9.289 389 1HG GLU 49 2HG GLU 49 7.871 -7.414 9.630 390 2HG GLU 49 1HG GLU 49 7.401 -8.500 8.323 391 H ASP 50 H ASP 50 4.004 -4.848 7.587 392 HA ASP 50 HA ASP 50 1.637 -6.067 8.483 393 1HB ASP 50 2HB ASP 50 2.471 -3.380 7.676 394 2HB ASP 50 1HB ASP 50 0.791 -3.722 7.259 395 H CYS 51 H CYS 51 2.803 -5.187 5.288 396 HA CYS 51 HA CYS 51 0.496 -5.642 3.784 397 1HB CYS 51 2HB CYS 51 2.945 -4.799 3.167 398 2HB CYS 51 1HB CYS 51 3.171 -6.488 2.740 399 H LEU 52 H LEU 52 3.263 -7.860 4.118 400 HA LEU 52 HA LEU 52 1.982 -10.121 3.102 401 1HB LEU 52 2HB LEU 52 4.137 -10.037 5.221 402 2HB LEU 52 1HB LEU 52 3.713 -11.430 4.245 403 HG LEU 52 HG LEU 52 5.032 -8.881 3.325 404 1HD1 LEU 52 1HD1 LEU 52 6.553 -10.871 2.398 405 2HD1 LEU 52 2HD1 LEU 52 5.889 -11.663 3.827 406 3HD1 LEU 52 3HD1 LEU 52 6.780 -10.150 3.990 407 1HD2 LEU 52 1HD2 LEU 52 4.059 -11.171 1.622 408 2HD2 LEU 52 2HD2 LEU 52 4.955 -9.757 1.069 409 3HD2 LEU 52 3HD2 LEU 52 3.319 -9.573 1.700 410 H ARG 53 H ARG 53 1.922 -8.686 6.285 411 HA ARG 53 HA ARG 53 0.734 -10.885 7.634 412 1HB ARG 53 2HB ARG 53 1.932 -8.772 8.585 413 2HB ARG 53 1HB ARG 53 0.338 -8.041 8.494 414 1HG ARG 53 2HG ARG 53 -0.473 -9.268 10.208 415 2HG ARG 53 1HG ARG 53 0.510 -10.679 9.806 416 1HD ARG 53 2HD ARG 53 2.482 -9.588 10.716 417 2HD ARG 53 1HD ARG 53 1.539 -8.144 11.073 418 HE ARG 53 HE ARG 53 1.226 -10.751 12.409 419 1HH1 ARG 53 1HH1 ARG 53 0.835 -7.273 12.394 420 2HH1 ARG 53 2HH1 ARG 53 0.288 -7.212 14.033 421 1HH2 ARG 53 1HH2 ARG 53 0.511 -10.655 14.558 422 2HH2 ARG 53 2HH2 ARG 53 0.104 -9.125 15.261 423 H THR 54 H THR 54 -0.518 -8.295 5.644 424 HA THR 54 HA THR 54 -3.258 -8.847 6.507 425 HB THR 54 HB THR 54 -2.394 -6.858 4.415 426 HG1 THR 54 1HG THR 54 -2.587 -6.498 7.222 427 1HG2 THR 54 1HG2 THR 54 -4.900 -7.532 5.650 428 2HG2 THR 54 2HG2 THR 54 -4.557 -6.429 4.318 429 3HG2 THR 54 3HG2 THR 54 -4.458 -5.858 5.982 430 H CYS 55 H CYS 55 -1.377 -8.927 3.453 431 HA CYS 55 HA CYS 55 -3.617 -10.355 2.223 432 1HB CYS 55 2HB CYS 55 -2.834 -8.467 0.953 433 2HB CYS 55 1HB CYS 55 -1.176 -9.065 0.997 434 H GLY 56 H GLY 56 -0.590 -11.042 3.615 435 1HA GLY 56 2HA GLY 56 0.629 -13.001 3.733 436 2HA GLY 56 1HA GLY 56 -0.833 -13.806 3.184 437 H GLY 57 H GLY 57 2.236 -12.468 2.249 438 1HA GLY 57 2HA GLY 57 1.789 -13.096 -0.566 439 2HA GLY 57 1HA GLY 57 3.218 -12.329 0.118 440 H ALA 58 H ALA 58 4.994 -13.535 0.265 441 HA ALA 58 HA ALA 58 6.396 -15.326 0.245 442 1HB ALA 58 1HB ALA 58 4.029 -16.663 1.544 443 2HB ALA 58 2HB ALA 58 5.395 -15.896 2.354 444 3HB ALA 58 3HB ALA 58 5.638 -17.374 1.424 Start of MODEL 2 1 1H ARG 1 1HT ARG 1 -5.747 -13.796 1.299 2 2H ARG 1 2HT ARG 1 -4.292 -14.250 0.508 3 3H ARG 1 3HT ARG 1 -5.799 -14.856 -0.047 4 HA ARG 1 HA ARG 1 -4.674 -12.168 -0.270 5 1HB ARG 1 2HB ARG 1 -4.740 -14.330 -1.937 6 2HB ARG 1 1HB ARG 1 -6.194 -13.476 -2.434 7 1HG ARG 1 2HG ARG 1 -4.849 -11.450 -2.809 8 2HG ARG 1 1HG ARG 1 -3.400 -12.356 -2.370 9 1HD ARG 1 2HD ARG 1 -3.351 -13.489 -4.329 10 2HD ARG 1 1HD ARG 1 -5.107 -13.557 -4.457 11 HE ARG 1 HE ARG 1 -4.169 -10.909 -4.841 12 1HH1 ARG 1 1HH1 ARG 1 -4.413 -14.004 -6.436 13 2HH1 ARG 1 2HH1 ARG 1 -4.433 -13.322 -8.028 14 1HH2 ARG 1 1HH2 ARG 1 -4.193 -10.011 -6.936 15 2HH2 ARG 1 2HH2 ARG 1 -4.308 -11.056 -8.311 16 HA PRO 2 HA PRO 2 -8.938 -11.128 1.033 17 1HB PRO 2 2HB PRO 2 -7.773 -8.447 1.305 18 2HB PRO 2 1HB PRO 2 -8.613 -9.431 2.508 19 1HG PRO 2 2HG PRO 2 -5.957 -8.969 2.620 20 2HG PRO 2 1HG PRO 2 -6.687 -10.485 3.183 21 1HD PRO 2 2HD PRO 2 -5.211 -9.920 0.647 22 2HD PRO 2 1HD PRO 2 -5.189 -11.372 1.667 23 H ASP 3 H ASP 3 -10.552 -9.860 0.052 24 HA ASP 3 HA ASP 3 -10.442 -9.562 -2.685 25 1HB ASP 3 2HB ASP 3 -12.462 -8.099 -2.434 26 2HB ASP 3 1HB ASP 3 -12.566 -9.630 -1.572 27 H PHE 4 H PHE 4 -10.104 -6.959 -0.255 28 HA PHE 4 HA PHE 4 -9.712 -4.868 -2.030 29 1HB PHE 4 2HB PHE 4 -8.849 -3.651 -0.155 30 2HB PHE 4 1HB PHE 4 -10.166 -4.661 0.404 31 HD1 PHE 4 1HD PHE 4 -6.484 -4.327 0.320 32 HD2 PHE 4 2HD PHE 4 -9.836 -6.271 2.078 33 HE1 PHE 4 1HE PHE 4 -5.023 -5.259 2.071 34 HE2 PHE 4 2HE PHE 4 -8.383 -7.206 3.828 35 HZ PHE 4 HZ PHE 4 -5.972 -6.706 3.824 36 H CYS 5 H CYS 5 -7.500 -7.364 -1.009 37 HA CYS 5 HA CYS 5 -5.056 -6.125 -1.540 38 1HB CYS 5 2HB CYS 5 -5.210 -8.308 -0.456 39 2HB CYS 5 1HB CYS 5 -5.827 -9.022 -1.941 40 H LEU 6 H LEU 6 -7.550 -7.046 -3.711 41 HA LEU 6 HA LEU 6 -5.801 -7.165 -6.021 42 1HB LEU 6 2HB LEU 6 -8.811 -7.192 -5.994 43 2HB LEU 6 1HB LEU 6 -7.751 -7.727 -7.283 44 HG LEU 6 HG LEU 6 -7.980 -9.059 -4.584 45 1HD1 LEU 6 1HD1 LEU 6 -9.155 -9.805 -7.257 46 2HD1 LEU 6 2HD1 LEU 6 -10.038 -9.336 -5.804 47 3HD1 LEU 6 3HD1 LEU 6 -9.134 -10.849 -5.835 48 1HD2 LEU 6 1HD2 LEU 6 -6.325 -10.448 -5.194 49 2HD2 LEU 6 2HD2 LEU 6 -5.878 -9.155 -6.307 50 3HD2 LEU 6 3HD2 LEU 6 -6.858 -10.507 -6.875 51 H GLU 7 H GLU 7 -6.287 -4.603 -4.389 52 HA GLU 7 HA GLU 7 -7.077 -2.953 -6.697 53 1HB GLU 7 2HB GLU 7 -8.021 -1.302 -5.230 54 2HB GLU 7 1HB GLU 7 -8.736 -2.861 -4.854 55 1HG GLU 7 2HG GLU 7 -8.149 -2.648 -2.740 56 2HG GLU 7 1HG GLU 7 -6.454 -2.497 -3.197 57 HA PRO 8 HA PRO 8 -2.864 -1.516 -6.630 58 1HB PRO 8 2HB PRO 8 -4.103 0.871 -7.908 59 2HB PRO 8 1HB PRO 8 -2.730 -0.107 -8.441 60 1HG PRO 8 2HG PRO 8 -5.096 -0.339 -9.630 61 2HG PRO 8 1HG PRO 8 -4.085 -1.765 -9.331 62 1HD PRO 8 2HD PRO 8 -6.525 -0.830 -7.886 63 2HD PRO 8 1HD PRO 8 -5.998 -2.484 -8.268 64 HA PRO 9 HA PRO 9 -2.450 1.444 -3.368 65 1HB PRO 9 2HB PRO 9 -0.350 2.961 -4.107 66 2HB PRO 9 1HB PRO 9 -0.168 1.251 -3.691 67 1HG PRO 9 2HG PRO 9 -0.393 2.519 -6.403 68 2HG PRO 9 1HG PRO 9 0.768 1.298 -5.837 69 1HD PRO 9 2HD PRO 9 -1.427 0.644 -7.268 70 2HD PRO 9 1HD PRO 9 -0.768 -0.423 -6.006 71 H TYR 10 H TYR 10 -2.386 3.793 -2.813 72 HA TYR 10 HA TYR 10 -3.295 5.633 -4.860 73 1HB TYR 10 2HB TYR 10 -5.316 4.350 -3.910 74 2HB TYR 10 1HB TYR 10 -5.057 5.296 -2.449 75 HD1 TYR 10 1HD TYR 10 -5.458 5.753 -6.134 76 HD2 TYR 10 2HD TYR 10 -6.150 7.326 -2.242 77 HE1 TYR 10 1HE TYR 10 -6.739 7.606 -7.118 78 HE2 TYR 10 2HE TYR 10 -7.436 9.183 -3.215 79 HH TYR 10 HH TYR 10 -7.300 10.297 -5.917 80 H THR 11 H THR 11 -1.480 6.809 -4.417 81 HA THR 11 HA THR 11 -0.677 7.650 -1.812 82 HB THR 11 HB THR 11 -0.012 8.747 -4.562 83 HG1 THR 11 1HG THR 11 1.833 7.449 -4.342 84 1HG2 THR 11 1HG2 THR 11 1.733 9.944 -3.718 85 2HG2 THR 11 2HG2 THR 11 1.823 8.982 -2.247 86 3HG2 THR 11 3HG2 THR 11 0.535 10.166 -2.445 87 H GLY 12 H GLY 12 -3.034 8.811 -4.062 88 1HA GLY 12 2HA GLY 12 -4.497 10.532 -4.001 89 2HA GLY 12 1HA GLY 12 -4.097 10.647 -2.299 90 HA PRO 13 HA PRO 13 -2.048 14.057 -5.052 91 1HB PRO 13 2HB PRO 13 -4.009 15.912 -5.321 92 2HB PRO 13 1HB PRO 13 -3.729 14.635 -6.509 93 1HG PRO 13 2HG PRO 13 -5.761 14.769 -4.315 94 2HG PRO 13 1HG PRO 13 -5.958 14.226 -5.992 95 1HD PRO 13 2HD PRO 13 -5.667 12.502 -3.920 96 2HD PRO 13 1HD PRO 13 -5.070 12.145 -5.556 97 H CYS 14 H CYS 14 -1.034 14.133 -2.942 98 HA CYS 14 HA CYS 14 -1.890 16.498 -1.434 99 1HB CYS 14 2HB CYS 14 -1.477 13.736 -0.335 100 2HB CYS 14 1HB CYS 14 -1.073 15.140 0.655 101 H ARG 15 H ARG 15 -0.110 17.087 0.197 102 HA ARG 15 HA ARG 15 2.458 16.895 -1.234 103 1HB ARG 15 2HB ARG 15 1.010 19.140 -0.687 104 2HB ARG 15 1HB ARG 15 2.124 19.106 0.674 105 1HG ARG 15 2HG ARG 15 3.833 18.631 -1.355 106 2HG ARG 15 1HG ARG 15 2.627 19.623 -2.176 107 1HD ARG 15 2HD ARG 15 2.882 21.360 -0.496 108 2HD ARG 15 1HD ARG 15 4.036 20.360 0.386 109 HE ARG 15 HE ARG 15 5.661 20.961 -1.113 110 1HH1 ARG 15 1HH1 ARG 15 2.538 21.840 -2.402 111 2HH1 ARG 15 2HH1 ARG 15 3.199 22.731 -3.733 112 1HH2 ARG 15 1HH2 ARG 15 6.532 22.131 -2.862 113 2HH2 ARG 15 2HH2 ARG 15 5.467 22.896 -3.994 114 H VAL 16 H VAL 16 2.179 14.817 0.363 115 HA VAL 16 HA VAL 16 3.843 15.478 2.707 116 HB VAL 16 HB VAL 16 2.040 13.076 2.720 117 1HG1 VAL 16 1HG1 VAL 16 3.775 14.494 4.603 118 2HG1 VAL 16 2HG1 VAL 16 3.262 12.807 4.579 119 3HG1 VAL 16 3HG1 VAL 16 2.202 14.040 5.261 120 1HG2 VAL 16 1HG2 VAL 16 0.576 15.004 2.280 121 2HG2 VAL 16 2HG2 VAL 16 1.255 15.826 3.687 122 3HG2 VAL 16 3HG2 VAL 16 0.323 14.342 3.896 123 H ARG 17 H ARG 17 4.893 13.233 3.502 124 HA ARG 17 HA ARG 17 5.793 11.697 1.171 125 1HB ARG 17 2HB ARG 17 7.663 12.928 3.206 126 2HB ARG 17 1HB ARG 17 8.132 11.894 1.864 127 1HG ARG 17 2HG ARG 17 6.816 13.833 0.534 128 2HG ARG 17 1HG ARG 17 7.439 14.752 1.906 129 1HD ARG 17 2HD ARG 17 9.684 13.610 1.373 130 2HD ARG 17 1HD ARG 17 8.953 13.225 -0.184 131 HE ARG 17 HE ARG 17 8.744 16.000 0.511 132 1HH1 ARG 17 1HH1 ARG 17 10.809 13.572 -0.912 133 2HH1 ARG 17 2HH1 ARG 17 11.707 14.710 -1.858 134 1HH2 ARG 17 1HH2 ARG 17 9.924 17.499 -0.733 135 2HH2 ARG 17 2HH2 ARG 17 11.205 16.941 -1.757 136 H ILE 18 H ILE 18 4.530 9.970 2.009 137 HA ILE 18 HA ILE 18 5.608 8.767 4.481 138 HB ILE 18 HB ILE 18 2.854 8.407 3.288 139 1HG1 ILE 18 2HG1 ILE 18 3.896 10.104 5.549 140 2HG1 ILE 18 1HG1 ILE 18 2.910 10.593 4.176 141 1HG2 ILE 18 1HG2 ILE 18 4.096 7.342 5.817 142 2HG2 ILE 18 2HG2 ILE 18 3.518 6.417 4.431 143 3HG2 ILE 18 3HG2 ILE 18 2.371 7.280 5.453 144 1HD1 ILE 18 1HD1 ILE 18 1.143 10.441 5.497 145 2HD1 ILE 18 2HD1 ILE 18 2.104 9.719 6.786 146 3HD1 ILE 18 3HD1 ILE 18 1.386 8.695 5.543 147 H ILE 19 H ILE 19 6.362 6.681 4.381 148 HA ILE 19 HA ILE 19 6.424 5.480 1.713 149 HB ILE 19 HB ILE 19 8.040 4.872 4.195 150 1HG1 ILE 19 2HG1 ILE 19 9.856 5.629 2.383 151 2HG1 ILE 19 1HG1 ILE 19 8.477 6.536 1.771 152 1HG2 ILE 19 1HG2 ILE 19 8.556 2.906 3.296 153 2HG2 ILE 19 2HG2 ILE 19 9.244 3.743 1.904 154 3HG2 ILE 19 3HG2 ILE 19 7.550 3.251 1.890 155 1HD1 ILE 19 1HD1 ILE 19 10.108 6.969 4.150 156 2HD1 ILE 19 2HD1 ILE 19 8.372 7.100 4.429 157 3HD1 ILE 19 3HD1 ILE 19 9.146 8.106 3.205 158 H ARG 20 H ARG 20 4.342 4.595 1.668 159 HA ARG 20 HA ARG 20 3.659 2.623 3.715 160 1HB ARG 20 2HB ARG 20 1.965 3.396 1.351 161 2HB ARG 20 1HB ARG 20 1.449 2.654 2.857 162 1HG ARG 20 2HG ARG 20 2.618 5.414 2.707 163 2HG ARG 20 1HG ARG 20 0.890 5.081 2.576 164 1HD ARG 20 2HD ARG 20 2.681 4.406 4.907 165 2HD ARG 20 1HD ARG 20 1.470 5.681 4.857 166 HE ARG 20 HE ARG 20 0.875 2.799 4.787 167 1HH1 ARG 20 1HH1 ARG 20 -0.055 6.085 5.549 168 2HH1 ARG 20 2HH1 ARG 20 -1.536 5.615 6.306 169 1HH2 ARG 20 1HH2 ARG 20 -1.075 2.194 5.783 170 2HH2 ARG 20 2HH2 ARG 20 -2.115 3.412 6.440 171 H TYR 21 H TYR 21 2.545 0.592 2.835 172 HA TYR 21 HA TYR 21 4.118 -0.496 0.595 173 1HB TYR 21 2HB TYR 21 3.256 -1.774 3.188 174 2HB TYR 21 1HB TYR 21 3.949 -2.682 1.844 175 HD1 TYR 21 1HD TYR 21 4.634 -0.038 4.342 176 HD2 TYR 21 2HD TYR 21 6.298 -2.752 1.521 177 HE1 TYR 21 1HE TYR 21 6.880 0.438 5.218 178 HE2 TYR 21 2HE TYR 21 8.549 -2.283 2.390 179 HH TYR 21 HH TYR 21 9.547 -1.454 4.569 180 H PHE 22 H PHE 22 3.057 -2.117 -0.689 181 HA PHE 22 HA PHE 22 0.252 -2.663 -0.218 182 1HB PHE 22 2HB PHE 22 -0.638 -1.719 -2.183 183 2HB PHE 22 1HB PHE 22 0.364 -0.463 -1.485 184 HD1 PHE 22 1HD PHE 22 2.773 -0.254 -2.407 185 HD2 PHE 22 2HD PHE 22 -0.365 -2.337 -4.389 186 HE1 PHE 22 1HE PHE 22 4.001 -0.075 -4.532 187 HE2 PHE 22 2HE PHE 22 0.858 -2.162 -6.518 188 HZ PHE 22 HZ PHE 22 3.044 -1.035 -6.589 189 H TYR 23 H TYR 23 -0.625 -3.996 -2.132 190 HA TYR 23 HA TYR 23 1.424 -6.036 -2.744 191 1HB TYR 23 2HB TYR 23 -0.559 -6.806 -1.519 192 2HB TYR 23 1HB TYR 23 -1.601 -6.224 -2.823 193 HD1 TYR 23 1HD TYR 23 -2.156 -7.654 -4.578 194 HD2 TYR 23 2HD TYR 23 1.221 -8.570 -2.157 195 HE1 TYR 23 1HE TYR 23 -1.917 -9.809 -5.736 196 HE2 TYR 23 2HE TYR 23 1.468 -10.729 -3.308 197 HH TYR 23 HH TYR 23 -0.296 -11.501 -6.166 198 H ASN 24 H ASN 24 2.389 -5.374 -4.630 199 HA ASN 24 HA ASN 24 0.965 -4.261 -6.826 200 1HB ASN 24 2HB ASN 24 3.390 -3.906 -6.339 201 2HB ASN 24 1HB ASN 24 3.691 -5.581 -6.816 202 1HD2 ASN 24 1HD2 ASN 24 3.324 -2.382 -7.858 203 2HD2 ASN 24 2HD2 ASN 24 3.385 -2.679 -9.580 204 H ALA 25 H ALA 25 -0.259 -5.291 -8.276 205 HA ALA 25 HA ALA 25 -0.356 -8.186 -8.285 206 1HB ALA 25 1HB ALA 25 -2.221 -7.756 -9.973 207 2HB ALA 25 2HB ALA 25 -2.011 -6.048 -9.586 208 3HB ALA 25 3HB ALA 25 -2.470 -7.190 -8.323 209 H LYS 26 H LYS 26 1.891 -6.473 -9.574 210 HA LYS 26 HA LYS 26 1.815 -7.734 -12.240 211 1HB LYS 26 2HB LYS 26 2.412 -5.076 -11.466 212 2HB LYS 26 1HB LYS 26 3.935 -5.804 -11.958 213 1HG LYS 26 2HG LYS 26 2.373 -6.621 -13.981 214 2HG LYS 26 1HG LYS 26 1.556 -5.115 -13.556 215 1HD LYS 26 2HD LYS 26 4.521 -5.325 -14.058 216 2HD LYS 26 1HD LYS 26 3.346 -4.899 -15.304 217 1HE LYS 26 2HE LYS 26 2.597 -3.109 -13.532 218 2HE LYS 26 1HE LYS 26 4.230 -3.353 -12.913 219 1HZ LYS 26 1HZ LYS 26 3.628 -1.611 -14.828 220 2HZ LYS 26 2HZ LYS 26 4.012 -2.954 -15.781 221 3HZ LYS 26 3HZ LYS 26 5.147 -2.344 -14.686 222 H ALA 27 H ALA 27 3.728 -7.103 -9.368 223 HA ALA 27 HA ALA 27 5.687 -9.124 -10.211 224 1HB ALA 27 1HB ALA 27 5.860 -6.656 -8.619 225 2HB ALA 27 2HB ALA 27 7.073 -7.447 -9.626 226 3HB ALA 27 3HB ALA 27 6.775 -8.025 -7.987 227 H GLY 28 H GLY 28 2.943 -8.780 -8.345 228 1HA GLY 28 2HA GLY 28 1.928 -10.116 -6.825 229 2HA GLY 28 1HA GLY 28 3.152 -11.274 -7.235 230 H LEU 29 H LEU 29 4.615 -8.546 -6.245 231 HA LEU 29 HA LEU 29 4.955 -9.584 -3.514 232 1HB LEU 29 2HB LEU 29 6.887 -7.963 -5.176 233 2HB LEU 29 1HB LEU 29 7.172 -8.515 -3.536 234 HG LEU 29 HG LEU 29 6.733 -10.368 -5.878 235 1HD1 LEU 29 1HD1 LEU 29 9.313 -9.509 -4.575 236 2HD1 LEU 29 2HD1 LEU 29 8.771 -9.067 -6.194 237 3HD1 LEU 29 3HD1 LEU 29 9.141 -10.750 -5.818 238 1HD2 LEU 29 1HD2 LEU 29 6.168 -11.314 -3.695 239 2HD2 LEU 29 2HD2 LEU 29 7.761 -10.865 -3.086 240 3HD2 LEU 29 3HD2 LEU 29 7.614 -12.066 -4.368 241 H CYS 30 H CYS 30 5.663 -7.850 -1.922 242 HA CYS 30 HA CYS 30 3.765 -5.674 -2.105 243 1HB CYS 30 2HB CYS 30 5.268 -7.042 0.050 244 2HB CYS 30 1HB CYS 30 4.904 -5.339 0.307 245 H GLN 31 H GLN 31 4.304 -3.714 -2.770 246 HA GLN 31 HA GLN 31 7.130 -2.904 -2.607 247 1HB GLN 31 2HB GLN 31 5.110 -1.856 -4.584 248 2HB GLN 31 1HB GLN 31 6.850 -1.609 -4.599 249 1HG GLN 31 2HG GLN 31 6.663 -4.329 -4.674 250 2HG GLN 31 1HG GLN 31 5.252 -3.835 -5.609 251 1HE2 GLN 31 1HE2 GLN 31 7.646 -5.175 -6.521 252 2HE2 GLN 31 2HE2 GLN 31 8.352 -4.158 -7.725 253 H THR 32 H THR 32 7.418 -0.476 -2.539 254 HA THR 32 HA THR 32 5.432 0.648 -0.683 255 HB THR 32 HB THR 32 7.125 1.743 0.471 256 HG1 THR 32 1HG THR 32 8.882 1.326 -1.712 257 1HG2 THR 32 1HG2 THR 32 8.619 0.165 1.171 258 2HG2 THR 32 2HG2 THR 32 8.892 -0.459 -0.456 259 3HG2 THR 32 3HG2 THR 32 7.403 -0.854 0.401 260 H PHE 33 H PHE 33 5.312 3.055 -0.648 261 HA PHE 33 HA PHE 33 6.042 4.458 -3.052 262 1HB PHE 33 2HB PHE 33 3.649 5.162 -3.536 263 2HB PHE 33 1HB PHE 33 4.093 3.529 -4.002 264 HD1 PHE 33 1HD PHE 33 3.686 1.825 -1.831 265 HD2 PHE 33 2HD PHE 33 1.521 5.357 -2.787 266 HE1 PHE 33 1HE PHE 33 1.750 0.967 -0.592 267 HE2 PHE 33 2HE PHE 33 -0.424 4.504 -1.550 268 HZ PHE 33 HZ PHE 33 -0.309 2.304 -0.450 269 H VAL 34 H VAL 34 5.536 6.738 -2.967 270 HA VAL 34 HA VAL 34 5.859 7.757 -0.292 271 HB VAL 34 HB VAL 34 5.720 9.306 -2.876 272 1HG1 VAL 34 1HG1 VAL 34 6.220 10.001 -0.068 273 2HG1 VAL 34 2HG1 VAL 34 5.686 11.011 -1.412 274 3HG1 VAL 34 3HG1 VAL 34 7.399 10.649 -1.209 275 1HG2 VAL 34 1HG2 VAL 34 7.835 7.623 -1.715 276 2HG2 VAL 34 2HG2 VAL 34 8.349 9.221 -2.255 277 3HG2 VAL 34 3HG2 VAL 34 7.565 8.118 -3.385 278 H TYR 35 H TYR 35 3.637 7.023 0.268 279 HA TYR 35 HA TYR 35 1.287 8.192 -0.704 280 1HB TYR 35 2HB TYR 35 1.146 6.270 0.718 281 2HB TYR 35 1HB TYR 35 2.016 7.093 2.010 282 HD1 TYR 35 1HD TYR 35 -0.600 8.815 0.162 283 HD2 TYR 35 2HD TYR 35 0.304 6.566 3.613 284 HE1 TYR 35 1HE TYR 35 -2.724 9.528 1.175 285 HE2 TYR 35 2HE TYR 35 -1.815 7.260 4.640 286 HH TYR 35 HH TYR 35 -3.789 9.713 3.278 287 H GLY 36 H GLY 36 0.428 10.219 -0.492 288 1HA GLY 36 2HA GLY 36 1.923 12.120 1.136 289 2HA GLY 36 1HA GLY 36 0.814 12.535 -0.150 290 H GLY 37 H GLY 37 0.088 10.385 2.590 291 1HA GLY 37 2HA GLY 37 -1.522 10.555 4.202 292 2HA GLY 37 1HA GLY 37 -0.988 12.205 4.339 293 H CYS 38 H CYS 38 -2.320 11.269 1.347 294 HA CYS 38 HA CYS 38 -4.537 13.051 1.652 295 1HB CYS 38 2HB CYS 38 -3.233 11.676 -0.506 296 2HB CYS 38 1HB CYS 38 -4.971 11.420 -0.598 297 H ARG 39 H ARG 39 -6.581 11.846 0.442 298 HA ARG 39 HA ARG 39 -8.164 10.903 2.291 299 1HB ARG 39 2HB ARG 39 -8.395 11.155 -0.376 300 2HB ARG 39 1HB ARG 39 -8.492 9.407 -0.219 301 1HG ARG 39 2HG ARG 39 -10.181 10.391 1.762 302 2HG ARG 39 1HG ARG 39 -10.471 11.420 0.359 303 1HD ARG 39 2HD ARG 39 -11.967 9.679 0.037 304 2HD ARG 39 1HD ARG 39 -10.591 9.200 -0.954 305 HE ARG 39 HE ARG 39 -10.094 8.007 1.425 306 1HH1 ARG 39 1HH1 ARG 39 -12.848 8.029 -0.717 307 2HH1 ARG 39 2HH1 ARG 39 -13.364 6.437 -0.274 308 1HH2 ARG 39 1HH2 ARG 39 -10.771 5.912 2.011 309 2HH2 ARG 39 2HH2 ARG 39 -12.185 5.235 1.275 310 H ALA 40 H ALA 40 -5.600 9.004 0.934 311 HA ALA 40 HA ALA 40 -4.775 6.949 1.444 312 1HB ALA 40 1HB ALA 40 -5.915 7.930 3.849 313 2HB ALA 40 2HB ALA 40 -4.598 6.775 3.647 314 3HB ALA 40 3HB ALA 40 -6.264 6.205 3.744 315 H LYS 41 H LYS 41 -5.202 4.774 1.085 316 HA LYS 41 HA LYS 41 -7.995 4.154 0.389 317 1HB LYS 41 2HB LYS 41 -5.437 3.638 -1.016 318 2HB LYS 41 1HB LYS 41 -6.622 2.345 -1.070 319 1HG LYS 41 2HG LYS 41 -7.044 5.181 -1.981 320 2HG LYS 41 1HG LYS 41 -6.801 3.772 -3.012 321 1HD LYS 41 2HD LYS 41 -8.888 2.864 -2.462 322 2HD LYS 41 1HD LYS 41 -9.073 3.908 -1.054 323 1HE LYS 41 2HE LYS 41 -8.842 5.115 -3.776 324 2HE LYS 41 1HE LYS 41 -10.379 4.427 -3.253 325 1HZ LYS 41 1HZ LYS 41 -9.343 6.066 -1.209 326 2HZ LYS 41 2HZ LYS 41 -10.779 6.248 -2.083 327 3HZ LYS 41 3HZ LYS 41 -9.346 6.938 -2.660 328 H ARG 42 H ARG 42 -7.753 1.435 -0.015 329 HA ARG 42 HA ARG 42 -7.550 0.500 2.733 330 1HB ARG 42 2HB ARG 42 -8.386 -1.170 0.372 331 2HB ARG 42 1HB ARG 42 -8.845 -1.349 2.066 332 1HG ARG 42 2HG ARG 42 -10.074 0.826 1.867 333 2HG ARG 42 1HG ARG 42 -9.756 0.772 0.132 334 1HD ARG 42 2HD ARG 42 -10.963 -1.632 1.381 335 2HD ARG 42 1HD ARG 42 -11.981 -0.203 1.212 336 HE ARG 42 HE ARG 42 -10.546 -1.256 -1.121 337 1HH1 ARG 42 1HH1 ARG 42 -13.568 -0.556 0.496 338 2HH1 ARG 42 2HH1 ARG 42 -14.522 -0.798 -0.927 339 1HH2 ARG 42 1HH2 ARG 42 -11.809 -1.573 -2.983 340 2HH2 ARG 42 2HH2 ARG 42 -13.527 -1.376 -2.897 341 H ASN 43 H ASN 43 -6.010 -0.052 -0.396 342 HA ASN 43 HA ASN 43 -4.314 -2.114 0.758 343 1HB ASN 43 2HB ASN 43 -5.367 -2.221 -1.596 344 2HB ASN 43 1HB ASN 43 -4.111 -1.082 -2.061 345 1HD2 ASN 43 1HD2 ASN 43 -4.518 -3.741 -3.039 346 2HD2 ASN 43 2HD2 ASN 43 -3.095 -4.646 -2.663 347 H ASN 44 H ASN 44 -3.585 -0.250 2.197 348 HA ASN 44 HA ASN 44 -0.994 0.581 1.222 349 1HB ASN 44 2HB ASN 44 -1.327 2.813 1.099 350 2HB ASN 44 1HB ASN 44 -3.006 2.356 0.881 351 1HD2 ASN 44 1HD2 ASN 44 -1.058 4.420 2.409 352 2HD2 ASN 44 2HD2 ASN 44 -2.017 4.781 3.809 353 H PHE 45 H PHE 45 0.011 -0.650 2.727 354 HA PHE 45 HA PHE 45 -0.718 -0.446 5.533 355 1HB PHE 45 2HB PHE 45 1.627 -1.995 4.448 356 2HB PHE 45 1HB PHE 45 0.688 -2.300 5.907 357 HD1 PHE 45 1HD PHE 45 -1.649 -3.167 5.689 358 HD2 PHE 45 2HD PHE 45 1.019 -2.932 2.383 359 HE1 PHE 45 1HE PHE 45 -3.072 -4.732 4.433 360 HE2 PHE 45 2HE PHE 45 -0.396 -4.502 1.123 361 HZ PHE 45 HZ PHE 45 -2.447 -5.403 2.147 362 H LYS 46 H LYS 46 0.958 -0.052 7.165 363 HA LYS 46 HA LYS 46 2.592 2.227 6.381 364 1HB LYS 46 2HB LYS 46 1.747 1.082 9.033 365 2HB LYS 46 1HB LYS 46 2.996 2.314 8.919 366 1HG LYS 46 2HG LYS 46 1.181 3.583 7.516 367 2HG LYS 46 1HG LYS 46 0.077 2.516 8.386 368 1HD LYS 46 2HD LYS 46 2.132 3.838 10.033 369 2HD LYS 46 1HD LYS 46 0.922 4.908 9.319 370 1HE LYS 46 2HE LYS 46 -0.806 3.967 10.497 371 2HE LYS 46 1HE LYS 46 0.004 2.409 10.652 372 1HZ LYS 46 1HZ LYS 46 0.430 3.074 12.723 373 2HZ LYS 46 2HZ LYS 46 0.083 4.696 12.393 374 3HZ LYS 46 3HZ LYS 46 1.616 4.074 12.046 375 H SER 47 H SER 47 2.979 -1.120 6.917 376 HA SER 47 HA SER 47 5.866 -0.807 6.714 377 1HB SER 47 2HB SER 47 5.673 -2.851 8.580 378 2HB SER 47 1HB SER 47 6.197 -1.199 8.896 379 HG SER 47 HG SER 47 4.556 -1.402 10.265 380 H ALA 48 H ALA 48 6.974 -2.675 6.023 381 HA ALA 48 HA ALA 48 5.671 -4.174 4.061 382 1HB ALA 48 1HB ALA 48 8.182 -5.117 5.403 383 2HB ALA 48 2HB ALA 48 8.177 -3.697 4.357 384 3HB ALA 48 3HB ALA 48 7.703 -5.269 3.713 385 H GLU 49 H GLU 49 6.163 -4.766 7.466 386 HA GLU 49 HA GLU 49 5.593 -7.537 7.456 387 1HB GLU 49 2HB GLU 49 6.286 -5.605 9.377 388 2HB GLU 49 1HB GLU 49 4.732 -6.242 9.896 389 1HG GLU 49 2HG GLU 49 5.754 -8.550 9.579 390 2HG GLU 49 1HG GLU 49 7.306 -7.719 9.480 391 H ASP 50 H ASP 50 3.558 -4.674 7.985 392 HA ASP 50 HA ASP 50 1.151 -6.060 8.455 393 1HB ASP 50 2HB ASP 50 1.942 -3.297 7.810 394 2HB ASP 50 1HB ASP 50 0.338 -3.738 7.228 395 H CYS 51 H CYS 51 2.773 -4.975 5.537 396 HA CYS 51 HA CYS 51 0.760 -5.550 3.659 397 1HB CYS 51 2HB CYS 51 3.143 -4.392 3.463 398 2HB CYS 51 1HB CYS 51 3.652 -6.016 3.023 399 H LEU 52 H LEU 52 3.680 -7.427 4.425 400 HA LEU 52 HA LEU 52 2.973 -9.757 3.087 401 1HB LEU 52 2HB LEU 52 4.683 -9.351 5.541 402 2HB LEU 52 1HB LEU 52 4.524 -10.901 4.739 403 HG LEU 52 HG LEU 52 5.563 -8.408 3.393 404 1HD1 LEU 52 1HD1 LEU 52 7.186 -8.899 5.003 405 2HD1 LEU 52 2HD1 LEU 52 7.760 -9.705 3.544 406 3HD1 LEU 52 3HD1 LEU 52 6.974 -10.640 4.817 407 1HD2 LEU 52 1HD2 LEU 52 5.408 -11.300 2.576 408 2HD2 LEU 52 2HD2 LEU 52 6.429 -10.114 1.762 409 3HD2 LEU 52 3HD2 LEU 52 4.677 -9.906 1.779 410 H ARG 53 H ARG 53 2.005 -8.566 6.217 411 HA ARG 53 HA ARG 53 0.887 -10.998 7.178 412 1HB ARG 53 2HB ARG 53 1.495 -8.904 8.528 413 2HB ARG 53 1HB ARG 53 -0.023 -8.230 7.953 414 1HG ARG 53 2HG ARG 53 -1.244 -10.062 8.999 415 2HG ARG 53 1HG ARG 53 0.277 -10.758 9.561 416 1HD ARG 53 2HD ARG 53 -0.149 -7.937 10.271 417 2HD ARG 53 1HD ARG 53 -1.273 -9.073 11.014 418 HE ARG 53 HE ARG 53 1.545 -8.800 11.559 419 1HH1 ARG 53 1HH1 ARG 53 -1.240 -10.895 11.764 420 2HH1 ARG 53 2HH1 ARG 53 -0.587 -11.841 13.059 421 1HH2 ARG 53 1HH2 ARG 53 2.403 -10.044 13.262 422 2HH2 ARG 53 2HH2 ARG 53 1.480 -11.358 13.910 423 H THR 54 H THR 54 -0.228 -8.383 5.144 424 HA THR 54 HA THR 54 -2.981 -9.278 5.170 425 HB THR 54 HB THR 54 -1.543 -7.140 3.590 426 HG1 THR 54 1HG THR 54 -1.849 -6.645 5.760 427 1HG2 THR 54 1HG2 THR 54 -3.318 -7.635 2.169 428 2HG2 THR 54 2HG2 THR 54 -3.933 -6.326 3.178 429 3HG2 THR 54 3HG2 THR 54 -4.413 -7.991 3.506 430 H CYS 55 H CYS 55 -0.518 -8.954 2.565 431 HA CYS 55 HA CYS 55 -1.754 -11.297 1.290 432 1HB CYS 55 2HB CYS 55 -1.708 -8.614 0.383 433 2HB CYS 55 1HB CYS 55 -0.675 -9.551 -0.693 434 H GLY 56 H GLY 56 0.614 -11.226 2.955 435 1HA GLY 56 2HA GLY 56 2.897 -11.342 1.177 436 2HA GLY 56 1HA GLY 56 2.900 -11.688 2.899 437 H GLY 57 H GLY 57 1.652 -13.763 3.478 438 1HA GLY 57 2HA GLY 57 1.461 -15.823 1.520 439 2HA GLY 57 1HA GLY 57 2.967 -15.951 2.417 440 H ALA 58 H ALA 58 -0.542 -15.941 2.710 441 HA ALA 58 HA ALA 58 -0.350 -17.838 4.898 442 1HB ALA 58 1HB ALA 58 -1.246 -15.038 5.252 443 2HB ALA 58 2HB ALA 58 -0.463 -16.133 6.391 444 3HB ALA 58 3HB ALA 58 -2.187 -16.291 6.060 Start of MODEL 3 1 1H ARG 1 1HT ARG 1 -5.277 -15.392 -2.735 2 2H ARG 1 2HT ARG 1 -6.713 -14.869 -3.517 3 3H ARG 1 3HT ARG 1 -6.709 -15.150 -1.824 4 HA ARG 1 HA ARG 1 -5.135 -13.375 -1.534 5 1HB ARG 1 2HB ARG 1 -5.614 -12.946 -4.490 6 2HB ARG 1 1HB ARG 1 -4.648 -11.916 -3.444 7 1HG ARG 1 2HG ARG 1 -3.191 -13.934 -3.012 8 2HG ARG 1 1HG ARG 1 -4.060 -14.723 -4.329 9 1HD ARG 1 2HD ARG 1 -3.209 -12.098 -5.131 10 2HD ARG 1 1HD ARG 1 -1.841 -13.018 -4.510 11 HE ARG 1 HE ARG 1 -3.606 -14.075 -6.620 12 1HH1 ARG 1 1HH1 ARG 1 -0.403 -13.352 -5.408 13 2HH1 ARG 1 2HH1 ARG 1 0.399 -14.144 -6.720 14 1HH2 ARG 1 1HH2 ARG 1 -2.540 -15.107 -8.340 15 2HH2 ARG 1 2HH2 ARG 1 -0.808 -15.135 -8.382 16 HA PRO 2 HA PRO 2 -9.110 -11.565 -0.493 17 1HB PRO 2 2HB PRO 2 -7.319 -9.321 0.264 18 2HB PRO 2 1HB PRO 2 -8.614 -10.085 1.194 19 1HG PRO 2 2HG PRO 2 -6.042 -10.561 1.729 20 2HG PRO 2 1HG PRO 2 -7.268 -11.838 1.863 21 1HD PRO 2 2HD PRO 2 -5.178 -11.433 -0.212 22 2HD PRO 2 1HD PRO 2 -5.911 -12.937 0.378 23 H ASP 3 H ASP 3 -10.466 -10.070 -1.404 24 HA ASP 3 HA ASP 3 -10.005 -9.163 -3.975 25 1HB ASP 3 2HB ASP 3 -12.019 -8.589 -1.872 26 2HB ASP 3 1HB ASP 3 -11.920 -7.440 -3.204 27 H PHE 4 H PHE 4 -9.770 -7.315 -0.936 28 HA PHE 4 HA PHE 4 -9.170 -4.841 -2.043 29 1HB PHE 4 2HB PHE 4 -8.413 -4.234 0.155 30 2HB PHE 4 1HB PHE 4 -9.820 -5.267 0.313 31 HD1 PHE 4 1HD PHE 4 -9.735 -7.210 1.580 32 HD2 PHE 4 2HD PHE 4 -6.115 -5.266 0.481 33 HE1 PHE 4 1HE PHE 4 -8.483 -8.711 3.069 34 HE2 PHE 4 2HE PHE 4 -4.855 -6.766 1.973 35 HZ PHE 4 HZ PHE 4 -6.041 -8.497 3.262 36 H CYS 5 H CYS 5 -7.119 -7.642 -1.617 37 HA CYS 5 HA CYS 5 -4.624 -6.363 -1.598 38 1HB CYS 5 2HB CYS 5 -5.514 -9.090 -2.480 39 2HB CYS 5 1HB CYS 5 -3.854 -8.571 -2.735 40 H LEU 6 H LEU 6 -6.897 -6.891 -4.154 41 HA LEU 6 HA LEU 6 -4.973 -6.234 -6.236 42 1HB LEU 6 2HB LEU 6 -7.934 -6.509 -6.642 43 2HB LEU 6 1HB LEU 6 -6.641 -6.782 -7.794 44 HG LEU 6 HG LEU 6 -6.634 -8.573 -5.449 45 1HD1 LEU 6 1HD1 LEU 6 -8.826 -9.008 -5.567 46 2HD1 LEU 6 2HD1 LEU 6 -8.391 -9.914 -7.015 47 3HD1 LEU 6 3HD1 LEU 6 -8.994 -8.263 -7.157 48 1HD2 LEU 6 1HD2 LEU 6 -5.140 -8.612 -7.537 49 2HD2 LEU 6 2HD2 LEU 6 -6.545 -9.299 -8.355 50 3HD2 LEU 6 3HD2 LEU 6 -5.828 -10.136 -6.978 51 H GLU 7 H GLU 7 -5.760 -4.283 -4.106 52 HA GLU 7 HA GLU 7 -7.064 -2.212 -5.721 53 1HB GLU 7 2HB GLU 7 -7.686 -2.929 -3.240 54 2HB GLU 7 1HB GLU 7 -6.393 -1.807 -2.842 55 1HG GLU 7 2HG GLU 7 -7.787 -0.282 -4.541 56 2HG GLU 7 1HG GLU 7 -9.088 -1.296 -3.922 57 HA PRO 8 HA PRO 8 -3.009 -0.417 -6.267 58 1HB PRO 8 2HB PRO 8 -3.760 1.852 -7.525 59 2HB PRO 8 1HB PRO 8 -3.768 0.276 -8.326 60 1HG PRO 8 2HG PRO 8 -6.042 1.797 -7.114 61 2HG PRO 8 1HG PRO 8 -5.983 0.904 -8.644 62 1HD PRO 8 2HD PRO 8 -7.091 -0.105 -6.372 63 2HD PRO 8 1HD PRO 8 -6.337 -1.123 -7.618 64 HA PRO 9 HA PRO 9 -2.467 2.335 -2.855 65 1HB PRO 9 2HB PRO 9 -0.307 3.760 -3.712 66 2HB PRO 9 1HB PRO 9 -0.207 2.104 -3.112 67 1HG PRO 9 2HG PRO 9 -0.293 3.092 -5.938 68 2HG PRO 9 1HG PRO 9 0.741 1.838 -5.219 69 1HD PRO 9 2HD PRO 9 -1.444 1.224 -6.664 70 2HD PRO 9 1HD PRO 9 -0.942 0.249 -5.264 71 H TYR 10 H TYR 10 -3.087 4.348 -2.191 72 HA TYR 10 HA TYR 10 -3.950 6.235 -4.294 73 1HB TYR 10 2HB TYR 10 -5.526 5.033 -2.455 74 2HB TYR 10 1HB TYR 10 -5.088 6.491 -1.574 75 HD1 TYR 10 1HD TYR 10 -6.382 8.388 -1.872 76 HD2 TYR 10 2HD TYR 10 -6.337 5.434 -4.934 77 HE1 TYR 10 1HE TYR 10 -8.084 9.657 -3.112 78 HE2 TYR 10 2HE TYR 10 -8.039 6.696 -6.184 79 HH TYR 10 HH TYR 10 -8.940 9.903 -5.342 80 H THR 11 H THR 11 -1.935 7.298 -4.365 81 HA THR 11 HA THR 11 -0.625 8.387 -2.095 82 HB THR 11 HB THR 11 -0.506 9.290 -4.987 83 HG1 THR 11 1HG THR 11 0.824 7.243 -3.581 84 1HG2 THR 11 1HG2 THR 11 0.697 10.934 -3.994 85 2HG2 THR 11 2HG2 THR 11 1.954 9.708 -4.151 86 3HG2 THR 11 3HG2 THR 11 1.132 9.936 -2.607 87 H GLY 12 H GLY 12 -3.487 9.314 -3.695 88 1HA GLY 12 2HA GLY 12 -4.857 11.107 -3.568 89 2HA GLY 12 1HA GLY 12 -4.089 11.377 -2.016 90 HA PRO 13 HA PRO 13 -2.957 14.703 -5.243 91 1HB PRO 13 2HB PRO 13 -4.581 16.720 -4.476 92 2HB PRO 13 1HB PRO 13 -5.075 15.500 -5.655 93 1HG PRO 13 2HG PRO 13 -5.703 15.675 -2.734 94 2HG PRO 13 1HG PRO 13 -6.775 15.267 -4.086 95 1HD PRO 13 2HD PRO 13 -5.666 13.390 -2.464 96 2HD PRO 13 1HD PRO 13 -6.045 13.087 -4.174 97 H CYS 14 H CYS 14 -3.068 14.338 -1.873 98 HA CYS 14 HA CYS 14 -2.156 16.770 -0.892 99 1HB CYS 14 2HB CYS 14 -1.843 13.931 -0.010 100 2HB CYS 14 1HB CYS 14 -0.906 15.190 0.795 101 H ARG 15 H ARG 15 0.107 16.976 0.131 102 HA ARG 15 HA ARG 15 2.106 16.396 -1.958 103 1HB ARG 15 2HB ARG 15 1.251 18.915 -0.808 104 2HB ARG 15 1HB ARG 15 2.982 18.679 -0.614 105 1HG ARG 15 2HG ARG 15 3.344 19.181 -2.739 106 2HG ARG 15 1HG ARG 15 2.195 17.954 -3.273 107 1HD ARG 15 2HD ARG 15 0.720 19.517 -3.828 108 2HD ARG 15 1HD ARG 15 0.771 20.197 -2.202 109 HE ARG 15 HE ARG 15 2.995 21.211 -3.303 110 1HH1 ARG 15 1HH1 ARG 15 -0.303 21.066 -4.440 111 2HH1 ARG 15 2HH1 ARG 15 -0.177 22.523 -5.367 112 1HH2 ARG 15 1HH2 ARG 15 3.159 23.128 -4.522 113 2HH2 ARG 15 2HH2 ARG 15 1.785 23.693 -5.414 114 H VAL 16 H VAL 16 1.594 14.794 0.411 115 HA VAL 16 HA VAL 16 3.874 15.355 2.148 116 HB VAL 16 HB VAL 16 2.241 12.881 2.494 117 1HG1 VAL 16 1HG1 VAL 16 3.993 14.598 4.078 118 2HG1 VAL 16 2HG1 VAL 16 3.610 12.887 4.262 119 3HG1 VAL 16 3HG1 VAL 16 2.524 14.109 4.924 120 1HG2 VAL 16 1HG2 VAL 16 0.622 14.757 2.021 121 2HG2 VAL 16 2HG2 VAL 16 1.240 15.552 3.468 122 3HG2 VAL 16 3HG2 VAL 16 0.443 13.981 3.595 123 H ARG 17 H ARG 17 5.009 13.123 2.845 124 HA ARG 17 HA ARG 17 5.637 11.549 0.454 125 1HB ARG 17 2HB ARG 17 7.359 13.508 1.655 126 2HB ARG 17 1HB ARG 17 8.072 11.915 1.858 127 1HG ARG 17 2HG ARG 17 8.723 11.876 -0.256 128 2HG ARG 17 1HG ARG 17 7.082 12.202 -0.817 129 1HD ARG 17 2HD ARG 17 8.475 13.951 -1.635 130 2HD ARG 17 1HD ARG 17 7.492 14.622 -0.334 131 HE ARG 17 HE ARG 17 10.152 13.679 0.377 132 1HH1 ARG 17 1HH1 ARG 17 8.092 16.392 -0.401 133 2HH1 ARG 17 2HH1 ARG 17 9.150 17.556 0.320 134 1HH2 ARG 17 1HH2 ARG 17 11.541 15.214 1.320 135 2HH2 ARG 17 2HH2 ARG 17 11.106 16.890 1.296 136 H ILE 18 H ILE 18 4.262 10.059 1.663 137 HA ILE 18 HA ILE 18 5.578 8.803 3.971 138 HB ILE 18 HB ILE 18 2.719 8.659 3.009 139 1HG1 ILE 18 2HG1 ILE 18 4.029 9.950 5.405 140 2HG1 ILE 18 1HG1 ILE 18 3.170 10.752 4.094 141 1HG2 ILE 18 1HG2 ILE 18 3.382 7.549 5.649 142 2HG2 ILE 18 2HG2 ILE 18 3.950 6.612 4.271 143 3HG2 ILE 18 3HG2 ILE 18 2.236 6.990 4.431 144 1HD1 ILE 18 1HD1 ILE 18 2.156 9.820 6.564 145 2HD1 ILE 18 2HD1 ILE 18 1.402 8.880 5.277 146 3HD1 ILE 18 3HD1 ILE 18 1.298 10.641 5.260 147 H ILE 19 H ILE 19 6.788 7.101 3.453 148 HA ILE 19 HA ILE 19 6.445 5.633 1.029 149 HB ILE 19 HB ILE 19 8.155 5.023 3.445 150 1HG1 ILE 19 2HG1 ILE 19 8.658 7.202 2.370 151 2HG1 ILE 19 1HG1 ILE 19 9.985 6.053 2.240 152 1HG2 ILE 19 1HG2 ILE 19 9.014 4.033 0.825 153 2HG2 ILE 19 2HG2 ILE 19 7.527 3.302 1.426 154 3HG2 ILE 19 3HG2 ILE 19 8.998 3.229 2.395 155 1HD1 ILE 19 1HD1 ILE 19 9.296 7.488 0.194 156 2HD1 ILE 19 2HD1 ILE 19 8.015 6.288 0.015 157 3HD1 ILE 19 3HD1 ILE 19 9.705 5.787 -0.025 158 H ARG 20 H ARG 20 4.298 4.885 1.225 159 HA ARG 20 HA ARG 20 3.628 3.099 3.407 160 1HB ARG 20 2HB ARG 20 2.137 4.279 1.112 161 2HB ARG 20 1HB ARG 20 1.491 2.844 1.888 162 1HG ARG 20 2HG ARG 20 2.152 5.417 3.300 163 2HG ARG 20 1HG ARG 20 0.540 4.940 2.763 164 1HD ARG 20 2HD ARG 20 0.290 3.427 4.428 165 2HD ARG 20 1HD ARG 20 1.992 2.975 4.416 166 HE ARG 20 HE ARG 20 2.459 4.730 5.890 167 1HH1 ARG 20 1HH1 ARG 20 -0.939 4.624 5.071 168 2HH1 ARG 20 2HH1 ARG 20 -1.412 5.632 6.396 169 1HH2 ARG 20 1HH2 ARG 20 1.830 6.051 7.628 170 2HH2 ARG 20 2HH2 ARG 20 0.156 6.440 7.846 171 H TYR 21 H TYR 21 2.429 1.019 2.755 172 HA TYR 21 HA TYR 21 4.054 -0.394 0.738 173 1HB TYR 21 2HB TYR 21 3.020 -1.258 3.433 174 2HB TYR 21 1HB TYR 21 3.532 -2.428 2.222 175 HD1 TYR 21 1HD TYR 21 4.582 -0.132 4.787 176 HD2 TYR 21 2HD TYR 21 5.932 -2.398 1.448 177 HE1 TYR 21 1HE TYR 21 6.896 0.073 5.590 178 HE2 TYR 21 2HE TYR 21 8.250 -2.196 2.243 179 HH TYR 21 HH TYR 21 9.030 -1.068 5.363 180 H PHE 22 H PHE 22 3.006 -1.894 -0.593 181 HA PHE 22 HA PHE 22 0.181 -2.421 -0.213 182 1HB PHE 22 2HB PHE 22 -0.622 -1.527 -2.226 183 2HB PHE 22 1HB PHE 22 0.386 -0.266 -1.550 184 HD1 PHE 22 1HD PHE 22 -0.361 -2.121 -4.429 185 HD2 PHE 22 2HD PHE 22 2.882 -0.254 -2.396 186 HE1 PHE 22 1HE PHE 22 0.913 -2.053 -6.533 187 HE2 PHE 22 2HE PHE 22 4.161 -0.182 -4.499 188 HZ PHE 22 HZ PHE 22 3.178 -1.088 -6.570 189 H TYR 23 H TYR 23 -0.625 -3.825 -2.082 190 HA TYR 23 HA TYR 23 1.425 -5.892 -2.561 191 1HB TYR 23 2HB TYR 23 -0.595 -6.635 -1.391 192 2HB TYR 23 1HB TYR 23 -1.597 -6.060 -2.729 193 HD1 TYR 23 1HD TYR 23 1.306 -8.337 -2.112 194 HD2 TYR 23 2HD TYR 23 -2.245 -7.592 -4.333 195 HE1 TYR 23 1HE TYR 23 1.565 -10.504 -3.245 196 HE2 TYR 23 2HE TYR 23 -1.997 -9.758 -5.469 197 HH TYR 23 HH TYR 23 0.827 -11.542 -5.427 198 H ASN 24 H ASN 24 2.454 -5.366 -4.433 199 HA ASN 24 HA ASN 24 1.109 -4.276 -6.704 200 1HB ASN 24 2HB ASN 24 3.531 -3.919 -6.078 201 2HB ASN 24 1HB ASN 24 3.842 -5.573 -6.624 202 1HD2 ASN 24 1HD2 ASN 24 4.301 -2.576 -7.522 203 2HD2 ASN 24 2HD2 ASN 24 4.086 -2.696 -9.253 204 H ALA 25 H ALA 25 -0.026 -5.352 -8.196 205 HA ALA 25 HA ALA 25 -0.105 -8.242 -8.130 206 1HB ALA 25 1HB ALA 25 -2.214 -7.220 -8.300 207 2HB ALA 25 2HB ALA 25 -1.893 -7.902 -9.894 208 3HB ALA 25 3HB ALA 25 -1.691 -6.172 -9.619 209 H LYS 26 H LYS 26 2.150 -6.472 -9.415 210 HA LYS 26 HA LYS 26 2.264 -7.923 -11.984 211 1HB LYS 26 2HB LYS 26 3.488 -5.301 -11.117 212 2HB LYS 26 1HB LYS 26 4.072 -6.180 -12.520 213 1HG LYS 26 2HG LYS 26 1.475 -6.116 -13.126 214 2HG LYS 26 1HG LYS 26 1.571 -4.655 -12.141 215 1HD LYS 26 2HD LYS 26 3.081 -3.629 -13.586 216 2HD LYS 26 1HD LYS 26 3.568 -5.161 -14.316 217 1HE LYS 26 2HE LYS 26 0.732 -4.313 -14.596 218 2HE LYS 26 1HE LYS 26 1.947 -3.469 -15.555 219 1HZ LYS 26 1HZ LYS 26 0.778 -5.952 -16.059 220 2HZ LYS 26 2HZ LYS 26 2.414 -6.231 -15.733 221 3HZ LYS 26 3HZ LYS 26 1.969 -5.158 -16.963 222 H ALA 27 H ALA 27 4.012 -6.913 -9.116 223 HA ALA 27 HA ALA 27 6.207 -8.744 -9.702 224 1HB ALA 27 1HB ALA 27 5.800 -6.644 -7.581 225 2HB ALA 27 2HB ALA 27 6.946 -6.631 -8.922 226 3HB ALA 27 3HB ALA 27 7.169 -7.756 -7.582 227 H GLY 28 H GLY 28 3.222 -8.759 -8.117 228 1HA GLY 28 2HA GLY 28 2.178 -10.346 -6.878 229 2HA GLY 28 1HA GLY 28 3.580 -11.325 -7.172 230 H LEU 29 H LEU 29 4.700 -8.611 -5.868 231 HA LEU 29 HA LEU 29 4.551 -9.652 -3.120 232 1HB LEU 29 2HB LEU 29 6.868 -8.261 -4.468 233 2HB LEU 29 1HB LEU 29 6.819 -8.722 -2.777 234 HG LEU 29 HG LEU 29 6.594 -10.725 -5.016 235 1HD1 LEU 29 1HD1 LEU 29 8.721 -10.113 -5.461 236 2HD1 LEU 29 2HD1 LEU 29 9.065 -11.125 -4.058 237 3HD1 LEU 29 3HD1 LEU 29 8.956 -9.374 -3.877 238 1HD2 LEU 29 1HD2 LEU 29 5.988 -11.009 -2.397 239 2HD2 LEU 29 2HD2 LEU 29 7.700 -11.434 -2.386 240 3HD2 LEU 29 3HD2 LEU 29 6.578 -12.315 -3.423 241 H CYS 30 H CYS 30 5.210 -7.864 -1.494 242 HA CYS 30 HA CYS 30 3.472 -5.620 -2.005 243 1HB CYS 30 2HB CYS 30 4.765 -6.853 0.374 244 2HB CYS 30 1HB CYS 30 4.353 -5.144 0.466 245 H GLN 31 H GLN 31 4.138 -3.661 -2.622 246 HA GLN 31 HA GLN 31 7.008 -3.047 -2.373 247 1HB GLN 31 2HB GLN 31 5.120 -2.093 -4.528 248 2HB GLN 31 1HB GLN 31 6.838 -1.741 -4.424 249 1HG GLN 31 2HG GLN 31 5.903 -4.572 -4.551 250 2HG GLN 31 1HG GLN 31 5.985 -3.599 -6.018 251 1HE2 GLN 31 1HE2 GLN 31 7.604 -4.897 -6.880 252 2HE2 GLN 31 2HE2 GLN 31 9.231 -4.841 -6.305 253 H THR 32 H THR 32 7.426 -0.625 -2.528 254 HA THR 32 HA THR 32 5.583 0.717 -0.679 255 HB THR 32 HB THR 32 7.533 2.195 -0.179 256 HG1 THR 32 1HG THR 32 9.518 1.676 -1.009 257 1HG2 THR 32 1HG2 THR 32 8.850 0.617 1.080 258 2HG2 THR 32 2HG2 THR 32 8.157 -0.726 0.171 259 3HG2 THR 32 3HG2 THR 32 7.135 0.241 1.233 260 H PHE 33 H PHE 33 5.349 3.075 -0.883 261 HA PHE 33 HA PHE 33 5.973 4.264 -3.444 262 1HB PHE 33 2HB PHE 33 3.657 4.844 -4.030 263 2HB PHE 33 1HB PHE 33 3.915 3.107 -4.033 264 HD1 PHE 33 1HD PHE 33 1.675 5.553 -3.183 265 HD2 PHE 33 2HD PHE 33 3.444 2.038 -1.576 266 HE1 PHE 33 1HE PHE 33 -0.236 5.296 -1.655 267 HE2 PHE 33 2HE PHE 33 1.537 1.771 -0.049 268 HZ PHE 33 HZ PHE 33 -0.305 3.401 -0.085 269 H VAL 34 H VAL 34 5.202 6.540 -3.564 270 HA VAL 34 HA VAL 34 5.694 7.816 -1.008 271 HB VAL 34 HB VAL 34 5.419 9.103 -3.723 272 1HG1 VAL 34 1HG1 VAL 34 7.100 10.665 -2.266 273 2HG1 VAL 34 2HG1 VAL 34 5.992 10.091 -1.018 274 3HG1 VAL 34 3HG1 VAL 34 5.366 10.943 -2.431 275 1HG2 VAL 34 1HG2 VAL 34 7.865 8.067 -2.300 276 2HG2 VAL 34 2HG2 VAL 34 7.911 9.132 -3.706 277 3HG2 VAL 34 3HG2 VAL 34 7.213 7.518 -3.844 278 H TYR 35 H TYR 35 3.576 7.162 -0.202 279 HA TYR 35 HA TYR 35 1.175 8.253 -1.291 280 1HB TYR 35 2HB TYR 35 0.870 6.336 0.011 281 2HB TYR 35 1HB TYR 35 1.925 6.917 1.289 282 HD1 TYR 35 1HD TYR 35 -0.989 8.530 -0.302 283 HD2 TYR 35 2HD TYR 35 0.675 6.886 3.190 284 HE1 TYR 35 1HE TYR 35 -2.958 9.292 0.970 285 HE2 TYR 35 2HE TYR 35 -1.278 7.611 4.495 286 HH TYR 35 HH TYR 35 -3.133 8.908 4.464 287 H GLY 36 H GLY 36 0.009 10.120 -0.671 288 1HA GLY 36 2HA GLY 36 1.645 12.051 0.816 289 2HA GLY 36 1HA GLY 36 0.452 12.475 -0.388 290 H GLY 37 H GLY 37 -0.260 10.181 2.210 291 1HA GLY 37 2HA GLY 37 -1.738 10.357 3.953 292 2HA GLY 37 1HA GLY 37 -1.170 11.993 4.094 293 H CYS 38 H CYS 38 -2.622 11.156 1.134 294 HA CYS 38 HA CYS 38 -5.061 12.592 1.945 295 1HB CYS 38 2HB CYS 38 -3.330 12.866 -0.350 296 2HB CYS 38 1HB CYS 38 -4.980 12.531 -0.853 297 H ARG 39 H ARG 39 -6.849 11.453 2.083 298 HA ARG 39 HA ARG 39 -8.276 9.670 2.015 299 1HB ARG 39 2HB ARG 39 -8.699 10.960 -0.099 300 2HB ARG 39 1HB ARG 39 -7.681 9.799 -0.940 301 1HG ARG 39 2HG ARG 39 -10.104 9.350 -1.156 302 2HG ARG 39 1HG ARG 39 -9.199 8.014 -0.441 303 1HD ARG 39 2HD ARG 39 -10.226 9.921 1.520 304 2HD ARG 39 1HD ARG 39 -11.489 9.126 0.583 305 HE ARG 39 HE ARG 39 -9.742 7.915 2.535 306 1HH1 ARG 39 1HH1 ARG 39 -11.867 7.361 -0.179 307 2HH1 ARG 39 2HH1 ARG 39 -12.176 5.710 0.240 308 1HH2 ARG 39 1HH2 ARG 39 -10.147 5.742 3.086 309 2HH2 ARG 39 2HH2 ARG 39 -11.200 4.791 2.092 310 H ALA 40 H ALA 40 -6.001 8.629 2.884 311 HA ALA 40 HA ALA 40 -4.667 6.696 1.432 312 1HB ALA 40 1HB ALA 40 -4.913 7.399 4.164 313 2HB ALA 40 2HB ALA 40 -3.659 6.432 3.389 314 3HB ALA 40 3HB ALA 40 -5.099 5.650 4.041 315 H LYS 41 H LYS 41 -5.128 4.706 0.661 316 HA LYS 41 HA LYS 41 -7.876 3.781 0.931 317 1HB LYS 41 2HB LYS 41 -5.628 3.112 -0.944 318 2HB LYS 41 1HB LYS 41 -7.037 2.072 -0.828 319 1HG LYS 41 2HG LYS 41 -7.214 5.012 -1.421 320 2HG LYS 41 1HG LYS 41 -7.079 3.773 -2.672 321 1HD LYS 41 2HD LYS 41 -9.164 2.836 -2.119 322 2HD LYS 41 1HD LYS 41 -9.225 3.680 -0.572 323 1HE LYS 41 2HE LYS 41 -10.455 5.239 -1.574 324 2HE LYS 41 1HE LYS 41 -9.009 5.704 -2.470 325 1HZ LYS 41 1HZ LYS 41 -11.381 4.429 -3.407 326 2HZ LYS 41 2HZ LYS 41 -10.007 3.533 -3.817 327 3HZ LYS 41 3HZ LYS 41 -10.132 5.151 -4.290 328 H ARG 42 H ARG 42 -7.750 1.118 0.599 329 HA ARG 42 HA ARG 42 -7.032 0.215 3.209 330 1HB ARG 42 2HB ARG 42 -7.962 -1.401 0.829 331 2HB ARG 42 1HB ARG 42 -7.958 -1.926 2.516 332 1HG ARG 42 2HG ARG 42 -9.484 0.078 2.952 333 2HG ARG 42 1HG ARG 42 -9.687 0.142 1.201 334 1HD ARG 42 2HD ARG 42 -10.016 -2.538 2.288 335 2HD ARG 42 1HD ARG 42 -11.164 -1.379 2.954 336 HE ARG 42 HE ARG 42 -10.828 -1.550 0.051 337 1HH1 ARG 42 1HH1 ARG 42 -12.828 -2.049 2.876 338 2HH1 ARG 42 2HH1 ARG 42 -14.282 -2.242 1.959 339 1HH2 ARG 42 1HH2 ARG 42 -12.744 -1.807 -1.146 340 2HH2 ARG 42 2HH2 ARG 42 -14.236 -2.105 -0.320 341 H ASN 43 H ASN 43 -5.717 -0.321 -0.042 342 HA ASN 43 HA ASN 43 -3.713 -2.142 0.948 343 1HB ASN 43 2HB ASN 43 -4.830 -1.939 -1.471 344 2HB ASN 43 1HB ASN 43 -3.443 -0.888 -1.740 345 1HD2 ASN 43 1HD2 ASN 43 -3.600 -3.050 -3.258 346 2HD2 ASN 43 2HD2 ASN 43 -2.452 -4.248 -2.776 347 H ASN 44 H ASN 44 -3.268 -0.289 2.532 348 HA ASN 44 HA ASN 44 -0.810 1.019 1.643 349 1HB ASN 44 2HB ASN 44 -3.049 2.488 3.061 350 2HB ASN 44 1HB ASN 44 -1.464 3.152 2.684 351 1HD2 ASN 44 1HD2 ASN 44 -1.848 4.679 1.239 352 2HD2 ASN 44 2HD2 ASN 44 -2.730 4.464 -0.240 353 H PHE 45 H PHE 45 0.035 -0.766 2.992 354 HA PHE 45 HA PHE 45 -0.514 -0.647 5.833 355 1HB PHE 45 2HB PHE 45 1.627 -2.285 4.459 356 2HB PHE 45 1HB PHE 45 0.935 -2.545 6.055 357 HD1 PHE 45 1HD PHE 45 0.305 -2.806 2.443 358 HD2 PHE 45 2HD PHE 45 -1.145 -3.660 6.350 359 HE1 PHE 45 1HE PHE 45 -1.405 -4.290 1.479 360 HE2 PHE 45 2HE PHE 45 -2.857 -5.145 5.395 361 HZ PHE 45 HZ PHE 45 -2.990 -5.464 2.956 362 H LYS 46 H LYS 46 1.193 -0.370 7.427 363 HA LYS 46 HA LYS 46 2.989 1.793 6.636 364 1HB LYS 46 2HB LYS 46 1.856 0.835 9.232 365 2HB LYS 46 1HB LYS 46 3.352 1.761 9.245 366 1HG LYS 46 2HG LYS 46 1.680 3.213 7.584 367 2HG LYS 46 1HG LYS 46 0.626 2.653 8.884 368 1HD LYS 46 2HD LYS 46 1.557 4.778 9.512 369 2HD LYS 46 1HD LYS 46 2.279 3.526 10.524 370 1HE LYS 46 2HE LYS 46 3.904 3.766 8.229 371 2HE LYS 46 1HE LYS 46 3.559 5.403 8.784 372 1HZ LYS 46 1HZ LYS 46 5.518 3.891 9.764 373 2HZ LYS 46 2HZ LYS 46 4.284 3.504 10.854 374 3HZ LYS 46 3HZ LYS 46 4.756 5.116 10.648 375 H SER 47 H SER 47 3.140 -1.515 6.914 376 HA SER 47 HA SER 47 6.036 -1.430 7.004 377 1HB SER 47 2HB SER 47 5.532 -3.611 8.642 378 2HB SER 47 1HB SER 47 6.159 -2.048 9.150 379 HG SER 47 HG SER 47 4.071 -1.400 9.642 380 H ALA 48 H ALA 48 7.045 -3.242 6.145 381 HA ALA 48 HA ALA 48 5.664 -4.516 4.042 382 1HB ALA 48 1HB ALA 48 7.806 -4.638 3.431 383 2HB ALA 48 2HB ALA 48 7.919 -6.056 4.475 384 3HB ALA 48 3HB ALA 48 8.373 -4.467 5.092 385 H GLU 49 H GLU 49 6.364 -5.436 7.346 386 HA GLU 49 HA GLU 49 5.710 -8.186 7.078 387 1HB GLU 49 2HB GLU 49 6.725 -6.552 9.098 388 2HB GLU 49 1HB GLU 49 5.174 -7.096 9.723 389 1HG GLU 49 2HG GLU 49 6.529 -8.761 10.479 390 2HG GLU 49 1HG GLU 49 6.032 -9.441 8.931 391 H ASP 50 H ASP 50 3.856 -5.341 8.125 392 HA ASP 50 HA ASP 50 1.468 -6.687 8.736 393 1HB ASP 50 2HB ASP 50 2.326 -3.940 8.389 394 2HB ASP 50 1HB ASP 50 0.733 -4.186 7.678 395 H CYS 51 H CYS 51 2.750 -5.357 5.744 396 HA CYS 51 HA CYS 51 0.532 -5.756 4.068 397 1HB CYS 51 2HB CYS 51 2.900 -4.603 3.710 398 2HB CYS 51 1HB CYS 51 3.326 -6.182 3.067 399 H LEU 52 H LEU 52 3.498 -7.716 4.284 400 HA LEU 52 HA LEU 52 2.646 -9.916 2.839 401 1HB LEU 52 2HB LEU 52 4.536 -9.761 5.186 402 2HB LEU 52 1HB LEU 52 4.307 -11.215 4.235 403 HG LEU 52 HG LEU 52 5.395 -8.583 3.234 404 1HD1 LEU 52 1HD1 LEU 52 6.948 -11.075 3.038 405 2HD1 LEU 52 2HD1 LEU 52 6.717 -10.443 4.669 406 3HD1 LEU 52 3HD1 LEU 52 7.469 -9.436 3.430 407 1HD2 LEU 52 1HD2 LEU 52 4.340 -9.374 1.356 408 2HD2 LEU 52 2HD2 LEU 52 4.511 -11.063 1.837 409 3HD2 LEU 52 3HD2 LEU 52 5.905 -10.177 1.217 410 H ARG 53 H ARG 53 1.986 -9.051 6.161 411 HA ARG 53 HA ARG 53 0.892 -11.571 6.922 412 1HB ARG 53 2HB ARG 53 1.743 -9.633 8.422 413 2HB ARG 53 1HB ARG 53 0.139 -8.953 8.193 414 1HG ARG 53 2HG ARG 53 0.344 -11.778 9.086 415 2HG ARG 53 1HG ARG 53 0.715 -10.502 10.246 416 1HD ARG 53 2HD ARG 53 -1.478 -9.471 9.757 417 2HD ARG 53 1HD ARG 53 -1.841 -10.811 8.676 418 HE ARG 53 HE ARG 53 -2.002 -12.247 10.539 419 1HH1 ARG 53 1HH1 ARG 53 -1.423 -8.924 11.464 420 2HH1 ARG 53 2HH1 ARG 53 -1.945 -9.163 13.097 421 1HH2 ARG 53 1HH2 ARG 53 -2.684 -12.552 12.684 422 2HH2 ARG 53 2HH2 ARG 53 -2.658 -11.218 13.790 423 H THR 54 H THR 54 -0.349 -8.690 5.370 424 HA THR 54 HA THR 54 -3.103 -9.614 5.631 425 HB THR 54 HB THR 54 -1.988 -7.124 4.330 426 HG1 THR 54 1HG THR 54 -3.098 -7.604 6.893 427 1HG2 THR 54 1HG2 THR 54 -4.820 -7.738 5.145 428 2HG2 THR 54 2HG2 THR 54 -4.219 -7.715 3.486 429 3HG2 THR 54 3HG2 THR 54 -4.223 -6.234 4.443 430 H CYS 55 H CYS 55 -0.796 -8.902 2.984 431 HA CYS 55 HA CYS 55 -2.651 -10.269 1.161 432 1HB CYS 55 2HB CYS 55 -0.578 -8.147 0.738 433 2HB CYS 55 1HB CYS 55 -1.108 -9.152 -0.607 434 H GLY 56 H GLY 56 -0.002 -11.060 2.915 435 1HA GLY 56 2HA GLY 56 1.405 -12.503 0.811 436 2HA GLY 56 1HA GLY 56 1.864 -12.432 2.503 437 H GLY 57 H GLY 57 -0.885 -13.150 3.349 438 1HA GLY 57 2HA GLY 57 -2.293 -15.027 3.433 439 2HA GLY 57 1HA GLY 57 -1.217 -15.858 2.319 440 H ALA 58 H ALA 58 -2.423 -16.586 4.987 441 HA ALA 58 HA ALA 58 0.045 -17.652 6.130 442 1HB ALA 58 1HB ALA 58 -1.976 -16.055 7.693 443 2HB ALA 58 2HB ALA 58 -0.264 -15.699 7.466 444 3HB ALA 58 3HB ALA 58 -0.755 -17.088 8.435 Start of MODEL 4 1 1H ARG 1 1HT ARG 1 -7.243 -13.994 -0.191 2 2H ARG 1 2HT ARG 1 -5.587 -14.043 0.255 3 3H ARG 1 3HT ARG 1 -6.087 -14.665 -1.263 4 HA ARG 1 HA ARG 1 -5.266 -12.098 -0.604 5 1HB ARG 1 2HB ARG 1 -6.395 -13.330 -3.127 6 2HB ARG 1 1HB ARG 1 -5.513 -11.812 -3.060 7 1HG ARG 1 2HG ARG 1 -3.730 -13.441 -1.871 8 2HG ARG 1 1HG ARG 1 -4.531 -14.584 -2.952 9 1HD ARG 1 2HD ARG 1 -4.040 -12.173 -4.387 10 2HD ARG 1 1HD ARG 1 -2.549 -12.655 -3.580 11 HE ARG 1 HE ARG 1 -3.847 -13.990 -5.772 12 1HH1 ARG 1 1HH1 ARG 1 -1.674 -14.386 -3.072 13 2HH1 ARG 1 2HH1 ARG 1 -0.868 -15.754 -3.760 14 1HH2 ARG 1 1HH2 ARG 1 -2.782 -15.784 -6.687 15 2HH2 ARG 1 2HH2 ARG 1 -1.496 -16.551 -5.816 16 HA PRO 2 HA PRO 2 -9.462 -10.545 0.358 17 1HB PRO 2 2HB PRO 2 -7.841 -8.093 0.727 18 2HB PRO 2 1HB PRO 2 -9.057 -8.805 1.793 19 1HG PRO 2 2HG PRO 2 -6.447 -8.957 2.348 20 2HG PRO 2 1HG PRO 2 -7.558 -10.295 2.717 21 1HD PRO 2 2HD PRO 2 -5.549 -10.056 0.525 22 2HD PRO 2 1HD PRO 2 -6.087 -11.496 1.415 23 H ASP 3 H ASP 3 -10.851 -9.159 -0.751 24 HA ASP 3 HA ASP 3 -10.487 -8.804 -3.458 25 1HB ASP 3 2HB ASP 3 -12.550 -8.387 -1.700 26 2HB ASP 3 1HB ASP 3 -12.191 -6.747 -2.237 27 H PHE 4 H PHE 4 -10.271 -6.221 -0.992 28 HA PHE 4 HA PHE 4 -9.501 -4.162 -2.650 29 1HB PHE 4 2HB PHE 4 -8.701 -3.069 -0.651 30 2HB PHE 4 1HB PHE 4 -10.183 -3.933 -0.286 31 HD1 PHE 4 1HD PHE 4 -6.491 -4.120 0.002 32 HD2 PHE 4 2HD PHE 4 -10.252 -5.536 1.398 33 HE1 PHE 4 1HE PHE 4 -5.360 -5.298 1.846 34 HE2 PHE 4 2HE PHE 4 -9.129 -6.714 3.241 35 HZ PHE 4 HZ PHE 4 -6.679 -6.609 3.463 36 H CYS 5 H CYS 5 -7.614 -6.870 -1.551 37 HA CYS 5 HA CYS 5 -5.027 -5.858 -1.689 38 1HB CYS 5 2HB CYS 5 -5.527 -8.121 -0.897 39 2HB CYS 5 1HB CYS 5 -5.997 -8.597 -2.524 40 H LEU 6 H LEU 6 -7.284 -6.539 -4.226 41 HA LEU 6 HA LEU 6 -5.337 -6.542 -6.342 42 1HB LEU 6 2HB LEU 6 -8.340 -6.287 -6.476 43 2HB LEU 6 1HB LEU 6 -7.275 -6.618 -7.829 44 HG LEU 6 HG LEU 6 -7.395 -8.470 -5.469 45 1HD1 LEU 6 1HD1 LEU 6 -9.160 -9.682 -6.361 46 2HD1 LEU 6 2HD1 LEU 6 -9.036 -8.894 -7.935 47 3HD1 LEU 6 3HD1 LEU 6 -9.683 -8.008 -6.555 48 1HD2 LEU 6 1HD2 LEU 6 -5.539 -8.648 -7.104 49 2HD2 LEU 6 2HD2 LEU 6 -6.729 -8.943 -8.369 50 3HD2 LEU 6 3HD2 LEU 6 -6.556 -10.086 -7.038 51 H GLU 7 H GLU 7 -6.079 -4.104 -4.428 52 HA GLU 7 HA GLU 7 -6.494 -2.108 -6.522 53 1HB GLU 7 2HB GLU 7 -7.924 -2.072 -4.473 54 2HB GLU 7 1HB GLU 7 -6.485 -1.729 -3.523 55 1HG GLU 7 2HG GLU 7 -6.654 0.136 -5.676 56 2HG GLU 7 1HG GLU 7 -8.194 0.085 -4.823 57 HA PRO 8 HA PRO 8 -2.093 -1.331 -6.548 58 1HB PRO 8 2HB PRO 8 -2.260 1.087 -7.870 59 2HB PRO 8 1HB PRO 8 -2.219 -0.492 -8.660 60 1HG PRO 8 2HG PRO 8 -4.546 1.271 -8.052 61 2HG PRO 8 1HG PRO 8 -4.243 0.258 -9.475 62 1HD PRO 8 2HD PRO 8 -5.958 -0.470 -7.528 63 2HD PRO 8 1HD PRO 8 -4.988 -1.657 -8.426 64 HA PRO 9 HA PRO 9 -1.225 1.605 -3.376 65 1HB PRO 9 2HB PRO 9 0.885 3.039 -4.278 66 2HB PRO 9 1HB PRO 9 1.008 1.346 -3.792 67 1HG PRO 9 2HG PRO 9 0.800 2.522 -6.533 68 2HG PRO 9 1HG PRO 9 1.830 1.194 -5.954 69 1HD PRO 9 2HD PRO 9 -0.483 0.799 -7.326 70 2HD PRO 9 1HD PRO 9 0.140 -0.354 -6.126 71 H TYR 10 H TYR 10 -2.320 3.342 -2.734 72 HA TYR 10 HA TYR 10 -2.935 5.442 -4.709 73 1HB TYR 10 2HB TYR 10 -4.778 4.088 -3.491 74 2HB TYR 10 1HB TYR 10 -4.383 5.092 -2.100 75 HD1 TYR 10 1HD TYR 10 -4.939 5.639 -5.763 76 HD2 TYR 10 2HD TYR 10 -5.812 6.867 -1.784 77 HE1 TYR 10 1HE TYR 10 -6.394 7.420 -6.638 78 HE2 TYR 10 2HE TYR 10 -7.273 8.647 -2.646 79 HH TYR 10 HH TYR 10 -8.656 8.880 -5.077 80 H THR 11 H THR 11 -1.913 7.290 -4.524 81 HA THR 11 HA THR 11 -0.456 7.969 -2.094 82 HB THR 11 HB THR 11 -0.637 9.329 -4.793 83 HG1 THR 11 1HG THR 11 1.199 7.519 -3.646 84 1HG2 THR 11 1HG2 THR 11 1.375 10.545 -4.160 85 2HG2 THR 11 2HG2 THR 11 1.284 9.861 -2.536 86 3HG2 THR 11 3HG2 THR 11 0.020 10.951 -3.108 87 H GLY 12 H GLY 12 -3.545 8.512 -3.270 88 1HA GLY 12 2HA GLY 12 -5.234 9.907 -2.681 89 2HA GLY 12 1HA GLY 12 -4.287 10.199 -1.238 90 HA PRO 13 HA PRO 13 -4.296 13.977 -4.093 91 1HB PRO 13 2HB PRO 13 -6.337 15.443 -3.168 92 2HB PRO 13 1HB PRO 13 -6.592 14.155 -4.351 93 1HG PRO 13 2HG PRO 13 -7.043 14.130 -1.393 94 2HG PRO 13 1HG PRO 13 -8.054 13.457 -2.685 95 1HD PRO 13 2HD PRO 13 -6.305 11.983 -1.152 96 2HD PRO 13 1HD PRO 13 -6.842 11.520 -2.782 97 H CYS 14 H CYS 14 -2.543 13.555 -2.125 98 HA CYS 14 HA CYS 14 -2.650 16.017 -0.502 99 1HB CYS 14 2HB CYS 14 -2.071 13.229 0.268 100 2HB CYS 14 1HB CYS 14 -0.952 14.431 0.904 101 H ARG 15 H ARG 15 -0.379 16.628 0.260 102 HA ARG 15 HA ARG 15 1.461 16.369 -2.026 103 1HB ARG 15 2HB ARG 15 2.178 18.643 -1.624 104 2HB ARG 15 1HB ARG 15 0.430 18.597 -1.801 105 1HG ARG 15 2HG ARG 15 0.226 18.627 0.665 106 2HG ARG 15 1HG ARG 15 1.976 18.828 0.765 107 1HD ARG 15 2HD ARG 15 1.161 20.780 -1.031 108 2HD ARG 15 1HD ARG 15 -0.090 20.785 0.212 109 HE ARG 15 HE ARG 15 2.596 20.804 1.248 110 1HH1 ARG 15 1HH1 ARG 15 -0.059 22.767 0.116 111 2HH1 ARG 15 2HH1 ARG 15 0.452 24.174 0.985 112 1HH2 ARG 15 1HH2 ARG 15 3.267 22.660 2.390 113 2HH2 ARG 15 2HH2 ARG 15 2.336 24.116 2.269 114 H VAL 16 H VAL 16 1.357 14.790 0.535 115 HA VAL 16 HA VAL 16 3.871 15.606 1.796 116 HB VAL 16 HB VAL 16 2.539 13.143 2.754 117 1HG1 VAL 16 1HG1 VAL 16 2.980 14.574 4.933 118 2HG1 VAL 16 2HG1 VAL 16 4.070 15.436 3.847 119 3HG1 VAL 16 3HG1 VAL 16 4.276 13.705 4.111 120 1HG2 VAL 16 1HG2 VAL 16 0.766 15.093 2.219 121 2HG2 VAL 16 2HG2 VAL 16 1.310 15.619 3.808 122 3HG2 VAL 16 3HG2 VAL 16 0.621 14.009 3.599 123 H ARG 17 H ARG 17 5.292 13.628 2.462 124 HA ARG 17 HA ARG 17 5.550 11.801 0.159 125 1HB ARG 17 2HB ARG 17 7.800 13.133 1.685 126 2HB ARG 17 1HB ARG 17 8.003 11.930 0.418 127 1HG ARG 17 2HG ARG 17 7.722 13.429 -1.214 128 2HG ARG 17 1HG ARG 17 6.383 14.222 -0.386 129 1HD ARG 17 2HD ARG 17 7.744 15.697 0.696 130 2HD ARG 17 1HD ARG 17 9.107 14.582 0.733 131 HE ARG 17 HE ARG 17 9.323 15.077 -1.713 132 1HH1 ARG 17 1HH1 ARG 17 7.857 17.398 0.459 133 2HH1 ARG 17 2HH1 ARG 17 8.274 18.757 -0.527 134 1HH2 ARG 17 1HH2 ARG 17 9.862 16.865 -2.997 135 2HH2 ARG 17 2HH2 ARG 17 9.410 18.457 -2.487 136 H ILE 18 H ILE 18 4.780 9.951 1.032 137 HA ILE 18 HA ILE 18 6.026 9.009 3.537 138 HB ILE 18 HB ILE 18 3.219 8.487 2.569 139 1HG1 ILE 18 2HG1 ILE 18 4.346 10.391 4.605 140 2HG1 ILE 18 1HG1 ILE 18 3.200 10.714 3.308 141 1HG2 ILE 18 1HG2 ILE 18 3.770 7.889 5.346 142 2HG2 ILE 18 2HG2 ILE 18 4.760 6.935 4.245 143 3HG2 ILE 18 3HG2 ILE 18 3.002 6.907 4.101 144 1HD1 ILE 18 1HD1 ILE 18 1.794 8.951 4.791 145 2HD1 ILE 18 2HD1 ILE 18 1.705 10.704 4.968 146 3HD1 ILE 18 3HD1 ILE 18 2.742 9.759 6.039 147 H ILE 19 H ILE 19 6.727 6.891 3.593 148 HA ILE 19 HA ILE 19 6.719 5.465 1.032 149 HB ILE 19 HB ILE 19 8.385 5.038 3.522 150 1HG1 ILE 19 2HG1 ILE 19 10.096 5.640 1.446 151 2HG1 ILE 19 1HG1 ILE 19 8.720 6.693 1.131 152 1HG2 ILE 19 1HG2 ILE 19 8.274 2.920 2.579 153 2HG2 ILE 19 2HG2 ILE 19 9.738 3.590 1.859 154 3HG2 ILE 19 3HG2 ILE 19 8.240 3.546 0.930 155 1HD1 ILE 19 1HD1 ILE 19 10.730 7.425 2.677 156 2HD1 ILE 19 2HD1 ILE 19 9.770 6.589 3.898 157 3HD1 ILE 19 3HD1 ILE 19 9.073 7.936 2.998 158 H ARG 20 H ARG 20 4.628 4.583 1.142 159 HA ARG 20 HA ARG 20 4.072 2.797 3.400 160 1HB ARG 20 2HB ARG 20 2.271 3.823 1.208 161 2HB ARG 20 1HB ARG 20 1.762 2.722 2.482 162 1HG ARG 20 2HG ARG 20 2.853 5.493 2.921 163 2HG ARG 20 1HG ARG 20 1.145 5.056 2.937 164 1HD ARG 20 2HD ARG 20 1.491 4.859 5.152 165 2HD ARG 20 1HD ARG 20 2.093 3.272 4.701 166 HE ARG 20 HE ARG 20 4.350 4.289 4.724 167 1HH1 ARG 20 1HH1 ARG 20 1.783 5.804 6.557 168 2HH1 ARG 20 2HH1 ARG 20 2.865 6.530 7.695 169 1HH2 ARG 20 1HH2 ARG 20 5.760 5.244 6.231 170 2HH2 ARG 20 2HH2 ARG 20 5.113 6.212 7.513 171 H TYR 21 H TYR 21 2.753 0.760 2.724 172 HA TYR 21 HA TYR 21 4.260 -0.565 0.564 173 1HB TYR 21 2HB TYR 21 3.148 -1.616 3.164 174 2HB TYR 21 1HB TYR 21 3.772 -2.666 1.893 175 HD1 TYR 21 1HD TYR 21 4.643 -0.179 4.450 176 HD2 TYR 21 2HD TYR 21 6.146 -2.826 1.480 177 HE1 TYR 21 1HE TYR 21 6.907 0.081 5.374 178 HE2 TYR 21 2HE TYR 21 8.413 -2.575 2.396 179 HH TYR 21 HH TYR 21 9.717 -1.289 3.784 180 H PHE 22 H PHE 22 3.177 -2.205 -0.666 181 HA PHE 22 HA PHE 22 0.294 -2.453 -0.481 182 1HB PHE 22 2HB PHE 22 -0.231 -1.620 -2.659 183 2HB PHE 22 1HB PHE 22 0.722 -0.378 -1.863 184 HD1 PHE 22 1HD PHE 22 0.363 -2.371 -4.759 185 HD2 PHE 22 2HD PHE 22 3.269 -0.385 -2.367 186 HE1 PHE 22 1HE PHE 22 1.942 -2.419 -6.646 187 HE2 PHE 22 2HE PHE 22 4.852 -0.427 -4.250 188 HZ PHE 22 HZ PHE 22 4.191 -1.450 -6.392 189 H TYR 23 H TYR 23 -0.463 -3.833 -2.462 190 HA TYR 23 HA TYR 23 1.452 -6.073 -2.730 191 1HB TYR 23 2HB TYR 23 -0.642 -6.720 -1.683 192 2HB TYR 23 1HB TYR 23 -1.570 -6.003 -3.006 193 HD1 TYR 23 1HD TYR 23 -2.150 -7.301 -4.864 194 HD2 TYR 23 2HD TYR 23 0.930 -8.665 -2.265 195 HE1 TYR 23 1HE TYR 23 -2.084 -9.440 -6.075 196 HE2 TYR 23 2HE TYR 23 1.003 -10.808 -3.467 197 HH TYR 23 HH TYR 23 -1.384 -11.702 -5.785 198 H ASN 24 H ASN 24 2.631 -5.549 -4.530 199 HA ASN 24 HA ASN 24 1.523 -4.401 -6.877 200 1HB ASN 24 2HB ASN 24 3.948 -4.320 -6.123 201 2HB ASN 24 1HB ASN 24 4.093 -5.985 -6.703 202 1HD2 ASN 24 1HD2 ASN 24 4.940 -3.054 -7.488 203 2HD2 ASN 24 2HD2 ASN 24 4.781 -3.094 -9.230 204 H ALA 25 H ALA 25 0.284 -5.350 -8.355 205 HA ALA 25 HA ALA 25 -0.047 -8.223 -8.363 206 1HB ALA 25 1HB ALA 25 -2.082 -7.174 -8.594 207 2HB ALA 25 2HB ALA 25 -1.699 -7.578 -10.268 208 3HB ALA 25 3HB ALA 25 -1.444 -5.936 -9.677 209 H LYS 26 H LYS 26 2.355 -6.567 -9.588 210 HA LYS 26 HA LYS 26 2.408 -7.945 -12.195 211 1HB LYS 26 2HB LYS 26 4.273 -5.742 -11.315 212 2HB LYS 26 1HB LYS 26 3.973 -6.320 -12.948 213 1HG LYS 26 2HG LYS 26 1.691 -5.415 -12.828 214 2HG LYS 26 1HG LYS 26 2.041 -4.791 -11.215 215 1HD LYS 26 2HD LYS 26 4.051 -4.001 -13.155 216 2HD LYS 26 1HD LYS 26 2.433 -3.468 -13.619 217 1HE LYS 26 2HE LYS 26 2.157 -2.484 -11.366 218 2HE LYS 26 1HE LYS 26 3.820 -2.940 -10.994 219 1HZ LYS 26 1HZ LYS 26 2.818 -0.820 -12.737 220 2HZ LYS 26 2HZ LYS 26 4.248 -1.594 -13.204 221 3HZ LYS 26 3HZ LYS 26 4.156 -0.826 -11.700 222 H ALA 27 H ALA 27 4.142 -7.277 -9.228 223 HA ALA 27 HA ALA 27 6.125 -9.340 -9.861 224 1HB ALA 27 1HB ALA 27 7.118 -7.285 -9.138 225 2HB ALA 27 2HB ALA 27 7.301 -8.460 -7.835 226 3HB ALA 27 3HB ALA 27 6.062 -7.208 -7.727 227 H GLY 28 H GLY 28 3.227 -8.873 -8.175 228 1HA GLY 28 2HA GLY 28 1.987 -10.302 -6.924 229 2HA GLY 28 1HA GLY 28 3.255 -11.457 -7.179 230 H LEU 29 H LEU 29 4.738 -8.886 -5.953 231 HA LEU 29 HA LEU 29 4.493 -9.880 -3.195 232 1HB LEU 29 2HB LEU 29 6.827 -8.835 -2.939 233 2HB LEU 29 1HB LEU 29 6.681 -10.363 -3.785 234 HG LEU 29 HG LEU 29 6.543 -8.713 -5.892 235 1HD1 LEU 29 1HD1 LEU 29 7.887 -6.797 -5.674 236 2HD1 LEU 29 2HD1 LEU 29 8.437 -7.269 -4.065 237 3HD1 LEU 29 3HD1 LEU 29 6.769 -6.750 -4.312 238 1HD2 LEU 29 1HD2 LEU 29 9.184 -9.389 -4.633 239 2HD2 LEU 29 2HD2 LEU 29 8.784 -9.287 -6.348 240 3HD2 LEU 29 3HD2 LEU 29 8.138 -10.604 -5.368 241 H CYS 30 H CYS 30 5.185 -8.191 -1.524 242 HA CYS 30 HA CYS 30 3.588 -5.833 -1.995 243 1HB CYS 30 2HB CYS 30 4.682 -7.255 0.352 244 2HB CYS 30 1HB CYS 30 4.538 -5.508 0.519 245 H GLN 31 H GLN 31 4.385 -3.950 -2.646 246 HA GLN 31 HA GLN 31 7.242 -3.409 -2.179 247 1HB GLN 31 2HB GLN 31 5.566 -2.528 -4.530 248 2HB GLN 31 1HB GLN 31 7.258 -2.132 -4.276 249 1HG GLN 31 2HG GLN 31 7.522 -4.742 -4.191 250 2HG GLN 31 1HG GLN 31 6.008 -4.701 -5.092 251 1HE2 GLN 31 1HE2 GLN 31 9.035 -5.218 -5.628 252 2HE2 GLN 31 2HE2 GLN 31 9.286 -4.408 -7.133 253 H THR 32 H THR 32 7.700 -0.961 -2.438 254 HA THR 32 HA THR 32 5.804 0.436 -0.694 255 HB THR 32 HB THR 32 7.657 1.912 -0.127 256 HG1 THR 32 1HG THR 32 8.713 1.879 -2.149 257 1HG2 THR 32 1HG2 THR 32 9.376 -0.227 0.280 258 2HG2 THR 32 2HG2 THR 32 7.759 -0.931 0.316 259 3HG2 THR 32 3HG2 THR 32 8.168 0.398 1.400 260 H PHE 33 H PHE 33 5.715 2.846 -0.964 261 HA PHE 33 HA PHE 33 6.199 3.936 -3.572 262 1HB PHE 33 2HB PHE 33 3.838 4.490 -4.082 263 2HB PHE 33 1HB PHE 33 4.161 2.764 -4.124 264 HD1 PHE 33 1HD PHE 33 3.790 1.609 -1.713 265 HD2 PHE 33 2HD PHE 33 1.883 5.139 -3.116 266 HE1 PHE 33 1HE PHE 33 1.954 1.247 -0.124 267 HE2 PHE 33 2HE PHE 33 0.042 4.778 -1.528 268 HZ PHE 33 HZ PHE 33 0.077 2.826 -0.034 269 H VAL 34 H VAL 34 5.517 6.179 -3.754 270 HA VAL 34 HA VAL 34 5.987 7.594 -1.278 271 HB VAL 34 HB VAL 34 5.578 8.732 -4.044 272 1HG1 VAL 34 1HG1 VAL 34 5.659 10.019 -1.609 273 2HG1 VAL 34 2HG1 VAL 34 5.974 10.750 -3.182 274 3HG1 VAL 34 3HG1 VAL 34 7.314 10.161 -2.200 275 1HG2 VAL 34 1HG2 VAL 34 8.303 8.801 -3.254 276 2HG2 VAL 34 2HG2 VAL 34 7.575 7.961 -4.622 277 3HG2 VAL 34 3HG2 VAL 34 7.724 7.146 -3.067 278 H TYR 35 H TYR 35 3.865 6.871 -0.415 279 HA TYR 35 HA TYR 35 1.432 7.904 -1.487 280 1HB TYR 35 2HB TYR 35 1.046 6.079 -0.137 281 2HB TYR 35 1HB TYR 35 2.261 6.557 1.036 282 HD1 TYR 35 1HD TYR 35 -0.882 8.015 -0.271 283 HD2 TYR 35 2HD TYR 35 1.409 7.029 3.104 284 HE1 TYR 35 1HE TYR 35 -2.670 8.896 1.185 285 HE2 TYR 35 2HE TYR 35 -0.360 7.859 4.588 286 HH TYR 35 HH TYR 35 -3.401 8.303 3.703 287 H GLY 36 H GLY 36 0.162 9.646 -0.743 288 1HA GLY 36 2HA GLY 36 1.715 11.855 0.260 289 2HA GLY 36 1HA GLY 36 0.043 11.927 -0.262 290 H GLY 37 H GLY 37 -1.600 11.402 1.236 291 1HA GLY 37 2HA GLY 37 -1.552 10.438 3.748 292 2HA GLY 37 1HA GLY 37 -0.911 12.045 3.921 293 H CYS 38 H CYS 38 -3.473 10.966 1.738 294 HA CYS 38 HA CYS 38 -5.267 12.851 3.123 295 1HB CYS 38 2HB CYS 38 -4.785 12.279 0.244 296 2HB CYS 38 1HB CYS 38 -6.426 12.687 0.729 297 H ARG 39 H ARG 39 -5.811 10.991 4.528 298 HA ARG 39 HA ARG 39 -7.569 9.700 5.239 299 1HB ARG 39 2HB ARG 39 -8.889 10.764 3.339 300 2HB ARG 39 1HB ARG 39 -8.476 9.344 2.391 301 1HG ARG 39 2HG ARG 39 -9.475 8.358 4.807 302 2HG ARG 39 1HG ARG 39 -10.535 9.696 4.364 303 1HD ARG 39 2HD ARG 39 -11.407 8.580 2.624 304 2HD ARG 39 1HD ARG 39 -9.843 7.945 2.126 305 HE ARG 39 HE ARG 39 -10.122 6.185 3.764 306 1HH1 ARG 39 1HH1 ARG 39 -12.999 8.034 3.014 307 2HH1 ARG 39 2HH1 ARG 39 -14.077 6.782 3.525 308 1HH2 ARG 39 1HH2 ARG 39 -11.548 4.556 4.438 309 2HH2 ARG 39 2HH2 ARG 39 -13.258 4.812 4.332 310 H ALA 40 H ALA 40 -5.377 8.749 2.761 311 HA ALA 40 HA ALA 40 -4.332 6.764 2.333 312 1HB ALA 40 1HB ALA 40 -4.164 6.784 4.850 313 2HB ALA 40 2HB ALA 40 -4.087 5.194 4.090 314 3HB ALA 40 3HB ALA 40 -5.576 5.727 4.869 315 H LYS 41 H LYS 41 -4.755 4.513 1.658 316 HA LYS 41 HA LYS 41 -7.611 4.065 1.058 317 1HB LYS 41 2HB LYS 41 -5.154 3.789 -0.581 318 2HB LYS 41 1HB LYS 41 -6.370 2.542 -0.798 319 1HG LYS 41 2HG LYS 41 -6.915 5.490 -1.042 320 2HG LYS 41 1HG LYS 41 -6.536 4.427 -2.396 321 1HD LYS 41 2HD LYS 41 -8.513 3.014 -1.625 322 2HD LYS 41 1HD LYS 41 -8.954 4.394 -0.616 323 1HE LYS 41 2HE LYS 41 -10.160 4.868 -2.504 324 2HE LYS 41 1HE LYS 41 -8.658 5.718 -2.870 325 1HZ LYS 41 1HZ LYS 41 -9.679 4.200 -4.646 326 2HZ LYS 41 2HZ LYS 41 -9.050 2.924 -3.730 327 3HZ LYS 41 3HZ LYS 41 -8.013 4.098 -4.367 328 H ARG 42 H ARG 42 -7.503 1.448 0.169 329 HA ARG 42 HA ARG 42 -7.214 0.035 2.671 330 1HB ARG 42 2HB ARG 42 -8.143 -0.832 -0.072 331 2HB ARG 42 1HB ARG 42 -8.008 -1.948 1.290 332 1HG ARG 42 2HG ARG 42 -10.124 -1.412 1.717 333 2HG ARG 42 1HG ARG 42 -9.484 0.106 2.348 334 1HD ARG 42 2HD ARG 42 -9.903 -0.002 -0.568 335 2HD ARG 42 1HD ARG 42 -11.363 -0.053 0.417 336 HE ARG 42 HE ARG 42 -9.572 2.180 0.069 337 1HH1 ARG 42 1HH1 ARG 42 -12.061 0.756 2.060 338 2HH1 ARG 42 2HH1 ARG 42 -12.509 2.258 2.795 339 1HH2 ARG 42 1HH2 ARG 42 -10.157 4.158 1.031 340 2HH2 ARG 42 2HH2 ARG 42 -11.428 4.195 2.209 341 H ASN 43 H ASN 43 -5.693 -0.061 -0.539 342 HA ASN 43 HA ASN 43 -3.763 -1.998 0.452 343 1HB ASN 43 2HB ASN 43 -4.944 -1.964 -1.920 344 2HB ASN 43 1HB ASN 43 -3.610 -0.886 -2.312 345 1HD2 ASN 43 1HD2 ASN 43 -4.582 -3.995 -2.399 346 2HD2 ASN 43 2HD2 ASN 43 -3.048 -4.788 -2.398 347 H ASN 44 H ASN 44 -3.273 -0.042 1.916 348 HA ASN 44 HA ASN 44 -0.758 1.063 0.982 349 1HB ASN 44 2HB ASN 44 -2.118 2.869 0.286 350 2HB ASN 44 1HB ASN 44 -3.157 2.742 1.700 351 1HD2 ASN 44 1HD2 ASN 44 -2.709 3.889 3.457 352 2HD2 ASN 44 2HD2 ASN 44 -1.310 4.889 3.653 353 H PHE 45 H PHE 45 0.013 -0.423 2.598 354 HA PHE 45 HA PHE 45 -0.738 0.055 5.364 355 1HB PHE 45 2HB PHE 45 1.460 -1.786 4.431 356 2HB PHE 45 1HB PHE 45 0.500 -1.884 5.905 357 HD1 PHE 45 1HD PHE 45 -1.777 -2.736 5.857 358 HD2 PHE 45 2HD PHE 45 0.600 -2.578 2.331 359 HE1 PHE 45 1HE PHE 45 -3.379 -4.210 4.716 360 HE2 PHE 45 2HE PHE 45 -0.997 -4.058 1.184 361 HZ PHE 45 HZ PHE 45 -2.989 -4.876 2.376 362 H LYS 46 H LYS 46 1.106 0.176 6.987 363 HA LYS 46 HA LYS 46 2.902 2.327 6.131 364 1HB LYS 46 2HB LYS 46 2.017 1.389 8.858 365 2HB LYS 46 1HB LYS 46 3.253 2.616 8.612 366 1HG LYS 46 2HG LYS 46 1.758 4.206 8.098 367 2HG LYS 46 1HG LYS 46 0.726 3.095 7.195 368 1HD LYS 46 2HD LYS 46 0.140 2.123 9.516 369 2HD LYS 46 1HD LYS 46 0.800 3.635 10.141 370 1HE LYS 46 2HE LYS 46 -1.414 4.193 9.919 371 2HE LYS 46 1HE LYS 46 -0.785 4.708 8.353 372 1HZ LYS 46 1HZ LYS 46 -1.431 2.269 7.707 373 2HZ LYS 46 2HZ LYS 46 -2.590 3.502 7.706 374 3HZ LYS 46 3HZ LYS 46 -2.503 2.426 9.008 375 H SER 47 H SER 47 2.941 -1.008 6.884 376 HA SER 47 HA SER 47 5.864 -0.955 6.802 377 1HB SER 47 2HB SER 47 5.377 -2.940 8.679 378 2HB SER 47 1HB SER 47 6.024 -1.334 9.008 379 HG SER 47 HG SER 47 3.250 -1.883 8.902 380 H ALA 48 H ALA 48 6.842 -2.945 6.227 381 HA ALA 48 HA ALA 48 5.491 -4.354 4.212 382 1HB ALA 48 1HB ALA 48 7.634 -5.950 5.168 383 2HB ALA 48 2HB ALA 48 8.124 -4.260 5.284 384 3HB ALA 48 3HB ALA 48 7.585 -4.918 3.739 385 H GLU 49 H GLU 49 5.773 -4.868 7.641 386 HA GLU 49 HA GLU 49 4.978 -7.595 7.665 387 1HB GLU 49 2HB GLU 49 5.179 -5.423 9.713 388 2HB GLU 49 1HB GLU 49 4.281 -6.882 10.111 389 1HG GLU 49 2HG GLU 49 7.160 -6.764 9.242 390 2HG GLU 49 1HG GLU 49 6.577 -7.012 10.888 391 H ASP 50 H ASP 50 3.227 -4.531 7.999 392 HA ASP 50 HA ASP 50 0.688 -5.663 8.505 393 1HB ASP 50 2HB ASP 50 1.571 -3.008 7.368 394 2HB ASP 50 1HB ASP 50 -0.134 -3.420 7.534 395 H CYS 51 H CYS 51 2.385 -4.731 5.559 396 HA CYS 51 HA CYS 51 0.354 -5.259 3.690 397 1HB CYS 51 2HB CYS 51 2.796 -4.221 3.485 398 2HB CYS 51 1HB CYS 51 3.221 -5.874 3.068 399 H LEU 52 H LEU 52 3.172 -7.245 4.568 400 HA LEU 52 HA LEU 52 2.415 -9.579 3.271 401 1HB LEU 52 2HB LEU 52 4.047 -9.138 5.765 402 2HB LEU 52 1HB LEU 52 3.817 -10.732 5.074 403 HG LEU 52 HG LEU 52 5.123 -8.397 3.675 404 1HD1 LEU 52 1HD1 LEU 52 6.210 -9.858 5.671 405 2HD1 LEU 52 2HD1 LEU 52 7.134 -9.142 4.351 406 3HD1 LEU 52 3HD1 LEU 52 6.648 -10.836 4.272 407 1HD2 LEU 52 1HD2 LEU 52 3.880 -10.085 2.246 408 2HD2 LEU 52 2HD2 LEU 52 5.064 -11.271 2.793 409 3HD2 LEU 52 3HD2 LEU 52 5.590 -9.856 1.881 410 H ARG 53 H ARG 53 1.441 -8.308 6.384 411 HA ARG 53 HA ARG 53 0.152 -10.642 7.331 412 1HB ARG 53 2HB ARG 53 0.267 -7.797 8.083 413 2HB ARG 53 1HB ARG 53 -1.253 -8.582 8.482 414 1HG ARG 53 2HG ARG 53 0.097 -10.371 9.624 415 2HG ARG 53 1HG ARG 53 1.505 -9.332 9.403 416 1HD ARG 53 2HD ARG 53 -0.812 -7.965 10.554 417 2HD ARG 53 1HD ARG 53 -0.192 -9.278 11.553 418 HE ARG 53 HE ARG 53 1.964 -7.703 10.704 419 1HH1 ARG 53 1HH1 ARG 53 -0.820 -7.496 12.798 420 2HH1 ARG 53 2HH1 ARG 53 -0.087 -6.352 13.869 421 1HH2 ARG 53 1HH2 ARG 53 2.931 -6.198 12.115 422 2HH2 ARG 53 2HH2 ARG 53 2.042 -5.615 13.482 423 H THR 54 H THR 54 -0.765 -8.044 5.184 424 HA THR 54 HA THR 54 -3.553 -8.816 5.132 425 HB THR 54 HB THR 54 -2.074 -6.865 3.361 426 HG1 THR 54 1HG THR 54 -3.546 -6.379 5.733 427 1HG2 THR 54 1HG2 THR 54 -4.041 -6.855 2.288 428 2HG2 THR 54 2HG2 THR 54 -4.574 -5.890 3.667 429 3HG2 THR 54 3HG2 THR 54 -4.895 -7.624 3.625 430 H CYS 55 H CYS 55 -1.005 -8.663 2.592 431 HA CYS 55 HA CYS 55 -2.334 -10.961 1.328 432 1HB CYS 55 2HB CYS 55 -2.173 -8.334 0.371 433 2HB CYS 55 1HB CYS 55 -1.042 -9.265 -0.606 434 H GLY 56 H GLY 56 0.029 -10.939 3.068 435 1HA GLY 56 2HA GLY 56 2.281 -11.364 1.270 436 2HA GLY 56 1HA GLY 56 2.310 -11.491 3.023 437 H GLY 57 H GLY 57 1.376 -13.412 3.998 438 1HA GLY 57 2HA GLY 57 0.630 -15.674 2.451 439 2HA GLY 57 1HA GLY 57 2.323 -15.782 2.912 440 H ALA 58 H ALA 58 1.355 -17.772 3.975 441 HA ALA 58 HA ALA 58 -0.098 -17.240 6.434 442 1HB ALA 58 1HB ALA 58 -0.002 -19.720 6.704 443 2HB ALA 58 2HB ALA 58 0.865 -19.798 5.171 444 3HB ALA 58 3HB ALA 58 -0.784 -19.175 5.217 Start of MODEL 5 1 1H ARG 1 1HT ARG 1 -4.911 -15.346 1.895 2 2H ARG 1 2HT ARG 1 -6.581 -15.023 1.669 3 3H ARG 1 3HT ARG 1 -5.689 -14.154 2.849 4 HA ARG 1 HA ARG 1 -4.527 -12.967 1.298 5 1HB ARG 1 2HB ARG 1 -3.961 -14.888 -0.116 6 2HB ARG 1 1HB ARG 1 -5.611 -14.946 -0.721 7 1HG ARG 1 2HG ARG 1 -4.881 -12.371 -1.272 8 2HG ARG 1 1HG ARG 1 -3.375 -13.256 -1.523 9 1HD ARG 1 2HD ARG 1 -5.029 -14.898 -2.810 10 2HD ARG 1 1HD ARG 1 -5.948 -13.405 -2.993 11 HE ARG 1 HE ARG 1 -3.147 -13.243 -3.710 12 1HH1 ARG 1 1HH1 ARG 1 -6.413 -13.784 -4.823 13 2HH1 ARG 1 2HH1 ARG 1 -6.050 -13.384 -6.467 14 1HH2 ARG 1 1HH2 ARG 1 -2.672 -12.719 -5.874 15 2HH2 ARG 1 2HH2 ARG 1 -3.928 -12.780 -7.065 16 HA PRO 2 HA PRO 2 -8.784 -11.194 1.323 17 1HB PRO 2 2HB PRO 2 -7.191 -8.742 1.665 18 2HB PRO 2 1HB PRO 2 -8.568 -9.324 2.606 19 1HG PRO 2 2HG PRO 2 -6.061 -9.359 3.564 20 2HG PRO 2 1HG PRO 2 -7.244 -10.624 3.966 21 1HD PRO 2 2HD PRO 2 -4.937 -10.725 2.077 22 2HD PRO 2 1HD PRO 2 -5.617 -12.005 3.104 23 H ASP 3 H ASP 3 -9.803 -10.536 -0.459 24 HA ASP 3 HA ASP 3 -8.557 -10.174 -2.914 25 1HB ASP 3 2HB ASP 3 -10.771 -9.200 -3.637 26 2HB ASP 3 1HB ASP 3 -10.861 -10.783 -2.872 27 H PHE 4 H PHE 4 -9.672 -7.723 -0.586 28 HA PHE 4 HA PHE 4 -9.368 -5.446 -2.070 29 1HB PHE 4 2HB PHE 4 -9.201 -4.263 -0.014 30 2HB PHE 4 1HB PHE 4 -10.251 -5.634 0.272 31 HD1 PHE 4 1HD PHE 4 -9.920 -6.892 2.147 32 HD2 PHE 4 2HD PHE 4 -6.647 -4.672 0.575 33 HE1 PHE 4 1HE PHE 4 -8.540 -7.576 4.062 34 HE2 PHE 4 2HE PHE 4 -5.260 -5.359 2.487 35 HZ PHE 4 HZ PHE 4 -6.205 -6.829 4.229 36 H CYS 5 H CYS 5 -6.858 -7.484 -0.743 37 HA CYS 5 HA CYS 5 -4.724 -5.700 -0.751 38 1HB CYS 5 2HB CYS 5 -3.435 -7.501 -0.306 39 2HB CYS 5 1HB CYS 5 -4.983 -8.308 -0.118 40 H LEU 6 H LEU 6 -6.504 -6.922 -3.400 41 HA LEU 6 HA LEU 6 -4.393 -6.348 -5.333 42 1HB LEU 6 2HB LEU 6 -7.213 -7.117 -6.020 43 2HB LEU 6 1HB LEU 6 -5.751 -7.364 -6.955 44 HG LEU 6 HG LEU 6 -6.066 -8.769 -4.335 45 1HD1 LEU 6 1HD1 LEU 6 -7.913 -9.793 -5.031 46 2HD1 LEU 6 2HD1 LEU 6 -6.896 -10.596 -6.227 47 3HD1 LEU 6 3HD1 LEU 6 -7.769 -9.125 -6.657 48 1HD2 LEU 6 1HD2 LEU 6 -4.001 -8.672 -5.996 49 2HD2 LEU 6 2HD2 LEU 6 -4.902 -9.964 -6.790 50 3HD2 LEU 6 3HD2 LEU 6 -4.414 -10.137 -5.105 51 H GLU 7 H GLU 7 -5.720 -4.257 -3.650 52 HA GLU 7 HA GLU 7 -7.152 -2.680 -5.646 53 1HB GLU 7 2HB GLU 7 -7.960 -2.973 -3.250 54 2HB GLU 7 1HB GLU 7 -6.619 -1.945 -2.769 55 1HG GLU 7 2HG GLU 7 -7.601 -0.276 -4.474 56 2HG GLU 7 1HG GLU 7 -9.061 -1.253 -4.336 57 HA PRO 8 HA PRO 8 -3.475 -0.399 -6.665 58 1HB PRO 8 2HB PRO 8 -4.677 1.831 -7.708 59 2HB PRO 8 1HB PRO 8 -4.478 0.311 -8.588 60 1HG PRO 8 2HG PRO 8 -6.875 1.369 -7.151 61 2HG PRO 8 1HG PRO 8 -6.782 0.521 -8.705 62 1HD PRO 8 2HD PRO 8 -7.545 -0.716 -6.432 63 2HD PRO 8 1HD PRO 8 -6.633 -1.555 -7.707 64 HA PRO 9 HA PRO 9 -2.914 2.389 -3.256 65 1HB PRO 9 2HB PRO 9 -0.575 3.502 -3.963 66 2HB PRO 9 1HB PRO 9 -0.678 1.800 -3.508 67 1HG PRO 9 2HG PRO 9 -0.592 3.027 -6.242 68 2HG PRO 9 1HG PRO 9 0.301 1.624 -5.617 69 1HD PRO 9 2HD PRO 9 -1.959 1.406 -7.125 70 2HD PRO 9 1HD PRO 9 -1.484 0.205 -5.903 71 H TYR 10 H TYR 10 -2.737 4.698 -2.746 72 HA TYR 10 HA TYR 10 -3.180 6.554 -4.957 73 1HB TYR 10 2HB TYR 10 -5.362 5.578 -3.555 74 2HB TYR 10 1HB TYR 10 -5.030 7.109 -2.758 75 HD1 TYR 10 1HD TYR 10 -3.869 8.273 -5.513 76 HD2 TYR 10 2HD TYR 10 -7.525 6.456 -4.317 77 HE1 TYR 10 1HE TYR 10 -5.037 9.438 -7.331 78 HE2 TYR 10 2HE TYR 10 -8.702 7.617 -6.133 79 HH TYR 10 HH TYR 10 -8.191 8.637 -8.303 80 H THR 11 H THR 11 -1.367 7.701 -4.570 81 HA THR 11 HA THR 11 -0.462 8.437 -1.961 82 HB THR 11 HB THR 11 0.305 9.252 -4.764 83 HG1 THR 11 1HG THR 11 1.162 7.330 -4.310 84 1HG2 THR 11 1HG2 THR 11 2.351 10.264 -3.693 85 2HG2 THR 11 2HG2 THR 11 1.427 10.306 -2.190 86 3HG2 THR 11 3HG2 THR 11 0.864 11.208 -3.598 87 H GLY 12 H GLY 12 -2.907 9.684 -3.962 88 1HA GLY 12 2HA GLY 12 -4.195 11.544 -3.902 89 2HA GLY 12 1HA GLY 12 -3.674 11.665 -2.232 90 HA PRO 13 HA PRO 13 -1.679 15.058 -4.804 91 1HB PRO 13 2HB PRO 13 -3.431 17.068 -4.762 92 2HB PRO 13 1HB PRO 13 -3.597 15.731 -5.907 93 1HG PRO 13 2HG PRO 13 -5.096 16.267 -3.386 94 2HG PRO 13 1HG PRO 13 -5.672 15.573 -4.911 95 1HD PRO 13 2HD PRO 13 -4.945 14.143 -2.611 96 2HD PRO 13 1HD PRO 13 -5.174 13.464 -4.235 97 H CYS 14 H CYS 14 -2.236 14.467 -1.715 98 HA CYS 14 HA CYS 14 -2.044 16.992 -0.440 99 1HB CYS 14 2HB CYS 14 -1.742 14.156 0.383 100 2HB CYS 14 1HB CYS 14 -0.991 15.378 1.412 101 H ARG 15 H ARG 15 -0.120 17.274 1.159 102 HA ARG 15 HA ARG 15 2.329 17.271 -0.482 103 1HB ARG 15 2HB ARG 15 1.028 19.323 1.184 104 2HB ARG 15 1HB ARG 15 2.771 19.213 1.381 105 1HG ARG 15 2HG ARG 15 2.676 20.721 -0.310 106 2HG ARG 15 1HG ARG 15 2.713 19.234 -1.259 107 1HD ARG 15 2HD ARG 15 0.976 20.425 -2.228 108 2HD ARG 15 1HD ARG 15 0.140 19.346 -1.114 109 HE ARG 15 HE ARG 15 0.497 22.234 -0.815 110 1HH1 ARG 15 1HH1 ARG 15 -0.809 19.240 0.435 111 2HH1 ARG 15 2HH1 ARG 15 -1.892 20.031 1.528 112 1HH2 ARG 15 1HH2 ARG 15 -0.927 23.264 0.625 113 2HH2 ARG 15 2HH2 ARG 15 -1.960 22.310 1.637 114 H VAL 16 H VAL 16 1.661 15.056 1.187 115 HA VAL 16 HA VAL 16 3.587 15.327 3.399 116 HB VAL 16 HB VAL 16 1.806 12.940 3.136 117 1HG1 VAL 16 1HG1 VAL 16 2.940 12.523 5.016 118 2HG1 VAL 16 2HG1 VAL 16 1.894 13.730 5.764 119 3HG1 VAL 16 3HG1 VAL 16 3.485 14.193 5.162 120 1HG2 VAL 16 1HG2 VAL 16 -0.024 14.000 4.249 121 2HG2 VAL 16 2HG2 VAL 16 0.367 14.976 2.834 122 3HG2 VAL 16 3HG2 VAL 16 0.885 15.501 4.437 123 H ARG 17 H ARG 17 4.539 12.958 3.895 124 HA ARG 17 HA ARG 17 5.416 11.647 1.431 125 1HB ARG 17 2HB ARG 17 7.162 13.132 3.359 126 2HB ARG 17 1HB ARG 17 7.790 11.682 2.589 127 1HG ARG 17 2HG ARG 17 6.750 13.076 0.470 128 2HG ARG 17 1HG ARG 17 7.382 14.356 1.507 129 1HD ARG 17 2HD ARG 17 8.844 12.046 0.267 130 2HD ARG 17 1HD ARG 17 9.171 13.770 0.105 131 HE ARG 17 HE ARG 17 9.576 13.391 2.719 132 1HH1 ARG 17 1HH1 ARG 17 10.709 11.605 -0.060 133 2HH1 ARG 17 2HH1 ARG 17 12.169 11.087 0.714 134 1HH2 ARG 17 1HH2 ARG 17 11.497 12.712 3.733 135 2HH2 ARG 17 2HH2 ARG 17 12.617 11.715 2.864 136 H ILE 18 H ILE 18 4.417 9.731 1.973 137 HA ILE 18 HA ILE 18 5.424 8.385 4.398 138 HB ILE 18 HB ILE 18 2.606 8.395 3.312 139 1HG1 ILE 18 2HG1 ILE 18 3.752 9.180 5.998 140 2HG1 ILE 18 1HG1 ILE 18 3.142 10.279 4.768 141 1HG2 ILE 18 1HG2 ILE 18 1.999 6.591 4.539 142 2HG2 ILE 18 2HG2 ILE 18 3.259 6.840 5.749 143 3HG2 ILE 18 3HG2 ILE 18 3.662 6.127 4.188 144 1HD1 ILE 18 1HD1 ILE 18 1.142 8.334 5.437 145 2HD1 ILE 18 2HD1 ILE 18 1.082 10.093 5.550 146 3HD1 ILE 18 3HD1 ILE 18 1.732 9.144 6.888 147 H ILE 19 H ILE 19 6.584 6.646 3.823 148 HA ILE 19 HA ILE 19 6.275 5.474 1.201 149 HB ILE 19 HB ILE 19 8.106 4.742 3.495 150 1HG1 ILE 19 2HG1 ILE 19 9.762 5.638 1.608 151 2HG1 ILE 19 1HG1 ILE 19 8.331 6.550 1.139 152 1HG2 ILE 19 1HG2 ILE 19 8.121 3.740 0.650 153 2HG2 ILE 19 2HG2 ILE 19 7.655 2.807 2.071 154 3HG2 ILE 19 3HG2 ILE 19 9.319 3.361 1.887 155 1HD1 ILE 19 1HD1 ILE 19 8.420 7.879 2.959 156 2HD1 ILE 19 2HD1 ILE 19 10.129 7.449 2.884 157 3HD1 ILE 19 3HD1 ILE 19 9.054 6.605 3.999 158 H ARG 20 H ARG 20 4.157 4.650 1.368 159 HA ARG 20 HA ARG 20 3.577 2.649 3.384 160 1HB ARG 20 2HB ARG 20 1.934 3.687 1.072 161 2HB ARG 20 1HB ARG 20 1.360 2.528 2.263 162 1HG ARG 20 2HG ARG 20 2.313 5.307 2.919 163 2HG ARG 20 1HG ARG 20 0.624 4.861 2.677 164 1HD ARG 20 2HD ARG 20 2.341 3.422 4.672 165 2HD ARG 20 1HD ARG 20 1.547 4.936 5.087 166 HE ARG 20 HE ARG 20 0.261 2.382 4.536 167 1HH1 ARG 20 1HH1 ARG 20 -0.073 5.775 5.301 168 2HH1 ARG 20 2HH1 ARG 20 -1.704 5.614 5.857 169 1HH2 ARG 20 1HH2 ARG 20 -1.887 2.177 5.261 170 2HH2 ARG 20 2HH2 ARG 20 -2.733 3.577 5.834 171 H TYR 21 H TYR 21 2.418 0.595 2.541 172 HA TYR 21 HA TYR 21 3.993 -0.540 0.325 173 1HB TYR 21 2HB TYR 21 3.136 -1.803 2.923 174 2HB TYR 21 1HB TYR 21 3.948 -2.667 1.617 175 HD1 TYR 21 1HD TYR 21 6.319 -2.531 1.367 176 HD2 TYR 21 2HD TYR 21 4.321 -0.028 4.164 177 HE1 TYR 21 1HE TYR 21 8.487 -1.903 2.346 178 HE2 TYR 21 2HE TYR 21 6.475 0.609 5.149 179 HH TYR 21 HH TYR 21 8.751 -0.242 5.315 180 H PHE 22 H PHE 22 2.932 -1.989 -1.043 181 HA PHE 22 HA PHE 22 0.159 -2.666 -0.472 182 1HB PHE 22 2HB PHE 22 -0.762 -1.823 -2.455 183 2HB PHE 22 1HB PHE 22 0.245 -0.532 -1.852 184 HD1 PHE 22 1HD PHE 22 -0.566 -2.525 -4.634 185 HD2 PHE 22 2HD PHE 22 2.650 -0.387 -2.842 186 HE1 PHE 22 1HE PHE 22 0.587 -2.452 -6.806 187 HE2 PHE 22 2HE PHE 22 3.809 -0.310 -5.013 188 HZ PHE 22 HZ PHE 22 2.780 -1.351 -6.995 189 H TYR 23 H TYR 23 -0.683 -4.181 -2.147 190 HA TYR 23 HA TYR 23 1.405 -6.178 -2.728 191 1HB TYR 23 2HB TYR 23 -0.456 -6.937 -1.350 192 2HB TYR 23 1HB TYR 23 -1.611 -6.432 -2.588 193 HD1 TYR 23 1HD TYR 23 1.198 -8.778 -1.937 194 HD2 TYR 23 2HD TYR 23 -2.215 -7.895 -4.318 195 HE1 TYR 23 1HE TYR 23 1.364 -10.995 -2.988 196 HE2 TYR 23 2HE TYR 23 -2.060 -10.112 -5.371 197 HH TYR 23 HH TYR 23 0.644 -12.064 -5.157 198 H ASN 24 H ASN 24 2.254 -5.633 -4.711 199 HA ASN 24 HA ASN 24 0.667 -4.738 -6.899 200 1HB ASN 24 2HB ASN 24 3.089 -4.227 -6.568 201 2HB ASN 24 1HB ASN 24 3.457 -5.918 -6.937 202 1HD2 ASN 24 1HD2 ASN 24 2.945 -2.831 -8.185 203 2HD2 ASN 24 2HD2 ASN 24 2.913 -3.251 -9.882 204 H ALA 25 H ALA 25 -0.524 -5.914 -8.266 205 HA ALA 25 HA ALA 25 -0.533 -8.800 -8.021 206 1HB ALA 25 1HB ALA 25 -2.282 -7.719 -10.069 207 2HB ALA 25 2HB ALA 25 -2.475 -6.904 -8.517 208 3HB ALA 25 3HB ALA 25 -2.668 -8.653 -8.624 209 H LYS 26 H LYS 26 1.643 -7.179 -9.503 210 HA LYS 26 HA LYS 26 1.522 -8.666 -12.049 211 1HB LYS 26 2HB LYS 26 2.026 -5.938 -11.567 212 2HB LYS 26 1HB LYS 26 3.587 -6.641 -11.971 213 1HG LYS 26 2HG LYS 26 2.765 -5.983 -14.026 214 2HG LYS 26 1HG LYS 26 2.343 -7.696 -13.968 215 1HD LYS 26 2HD LYS 26 0.365 -5.739 -12.923 216 2HD LYS 26 1HD LYS 26 0.586 -5.835 -14.672 217 1HE LYS 26 2HE LYS 26 0.280 -8.343 -14.423 218 2HE LYS 26 1HE LYS 26 -0.266 -8.012 -12.779 219 1HZ LYS 26 1HZ LYS 26 -1.500 -6.601 -15.050 220 2HZ LYS 26 2HZ LYS 26 -2.149 -6.945 -13.528 221 3HZ LYS 26 3HZ LYS 26 -1.987 -8.178 -14.673 222 H ALA 27 H ALA 27 3.460 -7.771 -9.276 223 HA ALA 27 HA ALA 27 5.466 -9.792 -10.006 224 1HB ALA 27 1HB ALA 27 7.063 -8.609 -8.802 225 2HB ALA 27 2HB ALA 27 5.853 -7.752 -7.847 226 3HB ALA 27 3HB ALA 27 6.100 -7.328 -9.541 227 H GLY 28 H GLY 28 2.777 -9.328 -8.078 228 1HA GLY 28 2HA GLY 28 1.838 -10.557 -6.425 229 2HA GLY 28 1HA GLY 28 3.087 -11.712 -6.759 230 H LEU 29 H LEU 29 4.529 -8.892 -6.072 231 HA LEU 29 HA LEU 29 4.954 -9.662 -3.267 232 1HB LEU 29 2HB LEU 29 6.789 -8.104 -5.089 233 2HB LEU 29 1HB LEU 29 7.133 -8.552 -3.430 234 HG LEU 29 HG LEU 29 6.584 -10.661 -5.494 235 1HD1 LEU 29 1HD1 LEU 29 9.336 -9.642 -4.863 236 2HD1 LEU 29 2HD1 LEU 29 8.405 -9.049 -6.238 237 3HD1 LEU 29 3HD1 LEU 29 8.838 -10.755 -6.137 238 1HD2 LEU 29 1HD2 LEU 29 6.752 -10.961 -2.897 239 2HD2 LEU 29 2HD2 LEU 29 8.486 -10.872 -3.209 240 3HD2 LEU 29 3HD2 LEU 29 7.512 -12.121 -3.986 241 H CYS 30 H CYS 30 5.516 -7.834 -1.787 242 HA CYS 30 HA CYS 30 3.610 -5.699 -2.197 243 1HB CYS 30 2HB CYS 30 5.017 -6.903 0.115 244 2HB CYS 30 1HB CYS 30 4.623 -5.191 0.239 245 H GLN 31 H GLN 31 4.158 -3.799 -2.979 246 HA GLN 31 HA GLN 31 6.970 -2.949 -2.804 247 1HB GLN 31 2HB GLN 31 4.916 -2.000 -4.802 248 2HB GLN 31 1HB GLN 31 6.650 -1.710 -4.839 249 1HG GLN 31 2HG GLN 31 6.931 -4.210 -5.061 250 2HG GLN 31 1HG GLN 31 5.190 -4.287 -5.328 251 1HE2 GLN 31 1HE2 GLN 31 7.084 -5.138 -7.195 252 2HE2 GLN 31 2HE2 GLN 31 6.986 -4.114 -8.581 253 H THR 32 H THR 32 7.197 -0.469 -2.848 254 HA THR 32 HA THR 32 5.186 0.634 -1.003 255 HB THR 32 HB THR 32 6.854 1.817 0.130 256 HG1 THR 32 1HG THR 32 8.941 2.103 -0.725 257 1HG2 THR 32 1HG2 THR 32 7.117 -0.846 0.061 258 2HG2 THR 32 2HG2 THR 32 8.149 0.212 1.024 259 3HG2 THR 32 3HG2 THR 32 8.703 -0.371 -0.546 260 H PHE 33 H PHE 33 5.004 3.028 -0.983 261 HA PHE 33 HA PHE 33 5.722 4.415 -3.417 262 1HB PHE 33 2HB PHE 33 3.280 5.177 -3.740 263 2HB PHE 33 1HB PHE 33 3.735 3.590 -4.337 264 HD1 PHE 33 1HD PHE 33 1.232 5.323 -2.766 265 HD2 PHE 33 2HD PHE 33 3.414 1.689 -2.397 266 HE1 PHE 33 1HE PHE 33 -0.634 4.331 -1.504 267 HE2 PHE 33 2HE PHE 33 1.559 0.698 -1.132 268 HZ PHE 33 HZ PHE 33 -0.470 2.013 -0.690 269 H VAL 34 H VAL 34 5.304 6.718 -3.291 270 HA VAL 34 HA VAL 34 5.683 7.669 -0.595 271 HB VAL 34 HB VAL 34 5.595 9.276 -3.147 272 1HG1 VAL 34 1HG1 VAL 34 5.335 10.495 -0.968 273 2HG1 VAL 34 2HG1 VAL 34 6.734 10.979 -1.929 274 3HG1 VAL 34 3HG1 VAL 34 6.946 9.921 -0.533 275 1HG2 VAL 34 1HG2 VAL 34 7.717 8.713 -3.628 276 2HG2 VAL 34 2HG2 VAL 34 7.376 7.287 -2.648 277 3HG2 VAL 34 3HG2 VAL 34 8.198 8.674 -1.933 278 H TYR 35 H TYR 35 3.441 6.991 -0.044 279 HA TYR 35 HA TYR 35 1.159 8.315 -1.013 280 1HB TYR 35 2HB TYR 35 0.830 6.304 0.224 281 2HB TYR 35 1HB TYR 35 1.774 6.905 1.581 282 HD1 TYR 35 1HD TYR 35 -0.941 8.605 -0.231 283 HD2 TYR 35 2HD TYR 35 0.306 6.772 3.350 284 HE1 TYR 35 1HE TYR 35 -3.002 9.384 0.863 285 HE2 TYR 35 2HE TYR 35 -1.748 7.524 4.476 286 HH TYR 35 HH TYR 35 -4.297 9.194 2.694 287 H GLY 36 H GLY 36 0.125 10.239 -0.365 288 1HA GLY 36 2HA GLY 36 1.755 11.913 1.424 289 2HA GLY 36 1HA GLY 36 0.829 12.541 0.081 290 H GLY 37 H GLY 37 -0.515 10.195 2.354 291 1HA GLY 37 2HA GLY 37 -2.183 10.405 3.900 292 2HA GLY 37 1HA GLY 37 -1.575 12.013 4.176 293 H CYS 38 H CYS 38 -2.671 11.259 1.015 294 HA CYS 38 HA CYS 38 -5.164 12.731 1.566 295 1HB CYS 38 2HB CYS 38 -3.123 13.185 -0.421 296 2HB CYS 38 1HB CYS 38 -4.673 12.884 -1.194 297 H ARG 39 H ARG 39 -6.932 11.590 1.415 298 HA ARG 39 HA ARG 39 -8.393 9.914 0.960 299 1HB ARG 39 2HB ARG 39 -7.317 10.798 -1.631 300 2HB ARG 39 1HB ARG 39 -8.083 9.219 -1.655 301 1HG ARG 39 2HG ARG 39 -9.559 11.376 -0.285 302 2HG ARG 39 1HG ARG 39 -9.420 11.492 -2.041 303 1HD ARG 39 2HD ARG 39 -11.448 10.305 -1.413 304 2HD ARG 39 1HD ARG 39 -10.336 9.234 -2.261 305 HE ARG 39 HE ARG 39 -9.716 8.703 0.274 306 1HH1 ARG 39 1HH1 ARG 39 -12.830 8.977 -1.289 307 2HH1 ARG 39 2HH1 ARG 39 -13.605 7.869 -0.208 308 1HH2 ARG 39 1HH2 ARG 39 -10.739 7.249 1.692 309 2HH2 ARG 39 2HH2 ARG 39 -12.421 6.889 1.482 310 H ALA 40 H ALA 40 -6.712 8.706 2.361 311 HA ALA 40 HA ALA 40 -4.953 6.824 1.335 312 1HB ALA 40 1HB ALA 40 -6.659 6.608 3.808 313 2HB ALA 40 2HB ALA 40 -5.067 7.356 3.703 314 3HB ALA 40 3HB ALA 40 -5.241 5.620 3.453 315 H LYS 41 H LYS 41 -5.098 4.651 0.800 316 HA LYS 41 HA LYS 41 -7.786 3.750 0.031 317 1HB LYS 41 2HB LYS 41 -5.145 3.607 -1.244 318 2HB LYS 41 1HB LYS 41 -6.040 2.094 -1.286 319 1HG LYS 41 2HG LYS 41 -7.506 4.547 -2.054 320 2HG LYS 41 1HG LYS 41 -6.273 3.949 -3.168 321 1HD LYS 41 2HD LYS 41 -7.339 1.795 -3.264 322 2HD LYS 41 1HD LYS 41 -8.505 2.276 -2.033 323 1HE LYS 41 2HE LYS 41 -9.720 3.546 -3.485 324 2HE LYS 41 1HE LYS 41 -8.319 3.951 -4.476 325 1HZ LYS 41 1HZ LYS 41 -10.039 1.574 -4.573 326 2HZ LYS 41 2HZ LYS 41 -8.425 1.433 -5.058 327 3HZ LYS 41 3HZ LYS 41 -9.450 2.528 -5.841 328 H ARG 42 H ARG 42 -7.432 1.093 -0.307 329 HA ARG 42 HA ARG 42 -7.162 0.172 2.446 330 1HB ARG 42 2HB ARG 42 -8.183 -1.193 -0.056 331 2HB ARG 42 1HB ARG 42 -8.103 -1.968 1.529 332 1HG ARG 42 2HG ARG 42 -9.907 -0.873 2.302 333 2HG ARG 42 1HG ARG 42 -9.501 0.622 1.456 334 1HD ARG 42 2HD ARG 42 -10.105 -1.182 -0.568 335 2HD ARG 42 1HD ARG 42 -11.296 -1.516 0.685 336 HE ARG 42 HE ARG 42 -10.926 1.038 -0.717 337 1HH1 ARG 42 1HH1 ARG 42 -12.813 -0.983 1.429 338 2HH1 ARG 42 2HH1 ARG 42 -14.196 0.055 1.379 339 1HH2 ARG 42 1HH2 ARG 42 -12.747 2.396 -0.769 340 2HH2 ARG 42 2HH2 ARG 42 -14.161 1.969 0.137 341 H ASN 43 H ASN 43 -5.604 -0.227 -0.674 342 HA ASN 43 HA ASN 43 -3.834 -2.280 0.386 343 1HB ASN 43 2HB ASN 43 -4.858 -2.261 -1.989 344 2HB ASN 43 1HB ASN 43 -3.618 -1.069 -2.357 345 1HD2 ASN 43 1HD2 ASN 43 -3.229 -2.937 -3.911 346 2HD2 ASN 43 2HD2 ASN 43 -2.074 -4.115 -3.403 347 H ASN 44 H ASN 44 -3.198 -0.473 1.936 348 HA ASN 44 HA ASN 44 -0.597 0.424 1.153 349 1HB ASN 44 2HB ASN 44 -0.923 2.668 1.026 350 2HB ASN 44 1HB ASN 44 -2.528 2.150 0.542 351 1HD2 ASN 44 1HD2 ASN 44 -1.182 4.484 2.048 352 2HD2 ASN 44 2HD2 ASN 44 -2.265 4.760 3.374 353 H PHE 45 H PHE 45 0.493 -0.476 2.769 354 HA PHE 45 HA PHE 45 -0.561 -0.242 5.505 355 1HB PHE 45 2HB PHE 45 1.693 -2.046 4.623 356 2HB PHE 45 1HB PHE 45 0.715 -2.159 6.082 357 HD1 PHE 45 1HD PHE 45 -1.529 -3.080 6.013 358 HD2 PHE 45 2HD PHE 45 0.861 -2.847 2.499 359 HE1 PHE 45 1HE PHE 45 -3.071 -4.616 4.866 360 HE2 PHE 45 2HE PHE 45 -0.676 -4.384 1.345 361 HZ PHE 45 HZ PHE 45 -2.647 -5.271 2.529 362 H LYS 46 H LYS 46 1.053 0.031 7.240 363 HA LYS 46 HA LYS 46 2.784 2.248 6.612 364 1HB LYS 46 2HB LYS 46 1.302 1.546 8.813 365 2HB LYS 46 1HB LYS 46 2.933 1.130 9.321 366 1HG LYS 46 2HG LYS 46 3.390 3.565 8.298 367 2HG LYS 46 1HG LYS 46 1.714 3.763 8.815 368 1HD LYS 46 2HD LYS 46 2.623 4.262 10.810 369 2HD LYS 46 1HD LYS 46 2.795 2.513 10.974 370 1HE LYS 46 2HE LYS 46 5.013 3.482 9.486 371 2HE LYS 46 1HE LYS 46 4.825 4.504 10.910 372 1HZ LYS 46 1HZ LYS 46 4.854 1.545 11.056 373 2HZ LYS 46 2HZ LYS 46 5.011 2.649 12.328 374 3HZ LYS 46 3HZ LYS 46 6.255 2.482 11.195 375 H SER 47 H SER 47 3.092 -1.161 7.078 376 HA SER 47 HA SER 47 5.961 -0.922 6.641 377 1HB SER 47 2HB SER 47 5.849 -2.978 8.502 378 2HB SER 47 1HB SER 47 6.451 -1.346 8.782 379 HG SER 47 HG SER 47 4.516 -0.774 9.646 380 H ALA 48 H ALA 48 6.956 -2.761 5.802 381 HA ALA 48 HA ALA 48 5.471 -4.216 3.946 382 1HB ALA 48 1HB ALA 48 8.140 -4.995 5.118 383 2HB ALA 48 2HB ALA 48 7.911 -3.825 3.818 384 3HB ALA 48 3HB ALA 48 7.470 -5.515 3.572 385 H GLU 49 H GLU 49 6.209 -4.856 7.290 386 HA GLU 49 HA GLU 49 5.645 -7.617 7.328 387 1HB GLU 49 2HB GLU 49 5.784 -5.452 9.380 388 2HB GLU 49 1HB GLU 49 5.019 -6.970 9.828 389 1HG GLU 49 2HG GLU 49 7.760 -6.860 8.620 390 2HG GLU 49 1HG GLU 49 7.484 -6.708 10.354 391 H ASP 50 H ASP 50 3.602 -4.769 7.881 392 HA ASP 50 HA ASP 50 1.248 -6.221 8.481 393 1HB ASP 50 2HB ASP 50 1.990 -3.479 8.215 394 2HB ASP 50 1HB ASP 50 0.580 -3.753 7.193 395 H CYS 51 H CYS 51 2.687 -4.998 5.517 396 HA CYS 51 HA CYS 51 0.610 -5.555 3.714 397 1HB CYS 51 2HB CYS 51 2.994 -4.397 3.462 398 2HB CYS 51 1HB CYS 51 3.468 -6.007 2.945 399 H LEU 52 H LEU 52 3.527 -7.451 4.423 400 HA LEU 52 HA LEU 52 2.766 -9.753 3.026 401 1HB LEU 52 2HB LEU 52 4.568 -9.440 5.433 402 2HB LEU 52 1HB LEU 52 4.404 -10.934 4.529 403 HG LEU 52 HG LEU 52 5.276 -8.375 3.210 404 1HD1 LEU 52 1HD1 LEU 52 7.301 -8.487 4.105 405 2HD1 LEU 52 2HD1 LEU 52 7.442 -10.195 3.691 406 3HD1 LEU 52 3HD1 LEU 52 6.700 -9.715 5.217 407 1HD2 LEU 52 1HD2 LEU 52 4.447 -10.564 2.018 408 2HD2 LEU 52 2HD2 LEU 52 6.079 -11.122 2.388 409 3HD2 LEU 52 3HD2 LEU 52 5.842 -9.674 1.410 410 H ARG 53 H ARG 53 1.977 -8.620 6.233 411 HA ARG 53 HA ARG 53 0.864 -11.058 7.182 412 1HB ARG 53 2HB ARG 53 0.666 -8.182 8.019 413 2HB ARG 53 1HB ARG 53 -0.408 -9.377 8.733 414 1HG ARG 53 2HG ARG 53 2.577 -9.696 8.720 415 2HG ARG 53 1HG ARG 53 1.711 -8.850 10.003 416 1HD ARG 53 2HD ARG 53 1.790 -10.953 10.897 417 2HD ARG 53 1HD ARG 53 0.264 -11.049 10.018 418 HE ARG 53 HE ARG 53 2.281 -11.884 8.291 419 1HH1 ARG 53 1HH1 ARG 53 0.821 -12.920 11.286 420 2HH1 ARG 53 2HH1 ARG 53 1.129 -14.600 11.001 421 1HH2 ARG 53 1HH2 ARG 53 2.687 -14.093 7.914 422 2HH2 ARG 53 2HH2 ARG 53 2.189 -15.266 9.087 423 H THR 54 H THR 54 -0.249 -8.480 5.130 424 HA THR 54 HA THR 54 -3.031 -9.282 5.328 425 HB THR 54 HB THR 54 -1.648 -7.206 3.616 426 HG1 THR 54 1HG THR 54 -3.155 -7.113 6.004 427 1HG2 THR 54 1HG2 THR 54 -3.507 -7.400 2.349 428 2HG2 THR 54 2HG2 THR 54 -4.183 -6.395 3.631 429 3HG2 THR 54 3HG2 THR 54 -4.450 -8.138 3.644 430 H CYS 55 H CYS 55 -0.753 -8.974 2.551 431 HA CYS 55 HA CYS 55 -2.084 -11.333 1.405 432 1HB CYS 55 2HB CYS 55 -2.260 -8.788 0.447 433 2HB CYS 55 1HB CYS 55 -0.938 -9.439 -0.513 434 H GLY 56 H GLY 56 0.362 -11.247 2.977 435 1HA GLY 56 2HA GLY 56 2.496 -11.653 1.026 436 2HA GLY 56 1HA GLY 56 2.670 -11.678 2.775 437 H GLY 57 H GLY 57 1.986 -13.581 3.931 438 1HA GLY 57 2HA GLY 57 2.313 -15.998 2.286 439 2HA GLY 57 1HA GLY 57 2.607 -15.884 4.015 440 H ALA 58 H ALA 58 1.155 -16.885 5.227 441 HA ALA 58 HA ALA 58 -1.423 -17.602 4.096 442 1HB ALA 58 1HB ALA 58 -1.517 -19.273 5.640 443 2HB ALA 58 2HB ALA 58 -0.716 -18.317 6.888 444 3HB ALA 58 3HB ALA 58 0.231 -19.042 5.588 Start of MODEL 6 1 1H ARG 1 1HT ARG 1 -5.822 -15.465 -1.493 2 2H ARG 1 2HT ARG 1 -7.493 -15.074 -1.508 3 3H ARG 1 3HT ARG 1 -6.518 -14.628 -0.169 4 HA ARG 1 HA ARG 1 -5.420 -13.015 -1.327 5 1HB ARG 1 2HB ARG 1 -6.493 -14.478 -3.730 6 2HB ARG 1 1HB ARG 1 -5.883 -12.835 -3.862 7 1HG ARG 1 2HG ARG 1 -3.701 -13.500 -3.209 8 2HG ARG 1 1HG ARG 1 -4.266 -15.104 -2.734 9 1HD ARG 1 2HD ARG 1 -4.237 -15.875 -4.847 10 2HD ARG 1 1HD ARG 1 -4.857 -14.368 -5.512 11 HE ARG 1 HE ARG 1 -2.584 -13.497 -5.410 12 1HH1 ARG 1 1HH1 ARG 1 -2.948 -16.970 -5.145 13 2HH1 ARG 1 2HH1 ARG 1 -1.338 -17.296 -5.685 14 1HH2 ARG 1 1HH2 ARG 1 -0.475 -13.941 -6.118 15 2HH2 ARG 1 2HH2 ARG 1 0.064 -15.583 -6.237 16 HA PRO 2 HA PRO 2 -9.610 -11.284 -0.508 17 1HB PRO 2 2HB PRO 2 -7.899 -9.011 0.283 18 2HB PRO 2 1HB PRO 2 -9.229 -9.772 1.162 19 1HG PRO 2 2HG PRO 2 -6.666 -10.120 1.875 20 2HG PRO 2 1HG PRO 2 -7.874 -11.408 2.048 21 1HD PRO 2 2HD PRO 2 -5.702 -11.110 0.035 22 2HD PRO 2 1HD PRO 2 -6.392 -12.581 0.743 23 H ASP 3 H ASP 3 -10.780 -9.763 -1.647 24 HA ASP 3 HA ASP 3 -9.981 -9.098 -4.220 25 1HB ASP 3 2HB ASP 3 -11.906 -7.456 -4.148 26 2HB ASP 3 1HB ASP 3 -12.308 -9.115 -3.709 27 H PHE 4 H PHE 4 -10.001 -7.035 -1.313 28 HA PHE 4 HA PHE 4 -9.176 -4.678 -2.493 29 1HB PHE 4 2HB PHE 4 -8.610 -3.949 -0.293 30 2HB PHE 4 1HB PHE 4 -10.032 -4.964 -0.170 31 HD1 PHE 4 1HD PHE 4 -10.064 -6.791 1.256 32 HD2 PHE 4 2HD PHE 4 -6.344 -4.984 0.257 33 HE1 PHE 4 1HE PHE 4 -8.943 -8.176 2.948 34 HE2 PHE 4 2HE PHE 4 -5.214 -6.370 1.951 35 HZ PHE 4 HZ PHE 4 -6.517 -7.976 3.292 36 H CYS 5 H CYS 5 -7.293 -7.533 -1.765 37 HA CYS 5 HA CYS 5 -4.752 -6.349 -1.611 38 1HB CYS 5 2HB CYS 5 -5.727 -9.080 -2.333 39 2HB CYS 5 1HB CYS 5 -4.048 -8.669 -2.653 40 H LEU 6 H LEU 6 -6.857 -6.897 -4.297 41 HA LEU 6 HA LEU 6 -4.765 -6.481 -6.269 42 1HB LEU 6 2HB LEU 6 -7.699 -6.525 -6.879 43 2HB LEU 6 1HB LEU 6 -6.357 -6.993 -7.904 44 HG LEU 6 HG LEU 6 -6.759 -8.609 -5.453 45 1HD1 LEU 6 1HD1 LEU 6 -8.794 -9.383 -5.884 46 2HD1 LEU 6 2HD1 LEU 6 -8.423 -9.605 -7.594 47 3HD1 LEU 6 3HD1 LEU 6 -8.986 -8.039 -7.009 48 1HD2 LEU 6 1HD2 LEU 6 -6.471 -9.760 -8.160 49 2HD2 LEU 6 2HD2 LEU 6 -5.693 -10.212 -6.644 50 3HD2 LEU 6 3HD2 LEU 6 -5.113 -8.815 -7.550 51 H GLU 7 H GLU 7 -5.569 -4.364 -4.276 52 HA GLU 7 HA GLU 7 -6.597 -2.298 -6.077 53 1HB GLU 7 2HB GLU 7 -7.454 -2.762 -3.650 54 2HB GLU 7 1HB GLU 7 -6.028 -1.852 -3.168 55 1HG GLU 7 2HG GLU 7 -7.129 -0.248 -5.092 56 2HG GLU 7 1HG GLU 7 -8.549 -0.933 -4.304 57 HA PRO 8 HA PRO 8 -2.317 -1.091 -6.771 58 1HB PRO 8 2HB PRO 8 -3.647 1.335 -7.845 59 2HB PRO 8 1HB PRO 8 -2.449 0.280 -8.601 60 1HG PRO 8 2HG PRO 8 -5.009 0.203 -9.348 61 2HG PRO 8 1HG PRO 8 -4.035 -1.275 -9.256 62 1HD PRO 8 2HD PRO 8 -6.113 -0.252 -7.369 63 2HD PRO 8 1HD PRO 8 -5.762 -1.920 -7.869 64 HA PRO 9 HA PRO 9 -1.454 1.775 -3.521 65 1HB PRO 9 2HB PRO 9 0.749 3.046 -4.417 66 2HB PRO 9 1HB PRO 9 0.767 1.344 -3.943 67 1HG PRO 9 2HG PRO 9 0.600 2.544 -6.683 68 2HG PRO 9 1HG PRO 9 1.583 1.176 -6.117 69 1HD PRO 9 2HD PRO 9 -0.763 0.866 -7.460 70 2HD PRO 9 1HD PRO 9 -0.171 -0.304 -6.260 71 H TYR 10 H TYR 10 -2.444 3.608 -2.953 72 HA TYR 10 HA TYR 10 -2.908 5.660 -5.022 73 1HB TYR 10 2HB TYR 10 -4.845 4.428 -3.772 74 2HB TYR 10 1HB TYR 10 -4.451 5.525 -2.452 75 HD1 TYR 10 1HD TYR 10 -5.676 7.471 -2.338 76 HD2 TYR 10 2HD TYR 10 -5.006 5.700 -6.148 77 HE1 TYR 10 1HE TYR 10 -7.034 9.231 -3.386 78 HE2 TYR 10 2HE TYR 10 -6.360 7.457 -7.208 79 HH TYR 10 HH TYR 10 -8.284 9.647 -5.387 80 H THR 11 H THR 11 -1.936 7.547 -4.831 81 HA THR 11 HA THR 11 -0.524 8.221 -2.349 82 HB THR 11 HB THR 11 -0.415 9.526 -5.080 83 HG1 THR 11 1HG THR 11 0.419 7.477 -5.240 84 1HG2 THR 11 1HG2 THR 11 1.883 10.232 -4.175 85 2HG2 THR 11 2HG2 THR 11 1.180 9.932 -2.585 86 3HG2 THR 11 3HG2 THR 11 0.457 11.130 -3.659 87 H GLY 12 H GLY 12 -3.464 8.876 -3.820 88 1HA GLY 12 2HA GLY 12 -5.092 10.426 -3.542 89 2HA GLY 12 1HA GLY 12 -4.378 10.619 -1.952 90 HA PRO 13 HA PRO 13 -3.743 14.512 -4.521 91 1HB PRO 13 2HB PRO 13 -5.739 16.085 -3.692 92 2HB PRO 13 1HB PRO 13 -5.992 14.876 -4.958 93 1HG PRO 13 2HG PRO 13 -6.710 14.762 -2.059 94 2HG PRO 13 1HG PRO 13 -7.636 14.211 -3.466 95 1HD PRO 13 2HD PRO 13 -6.115 12.573 -1.831 96 2HD PRO 13 1HD PRO 13 -6.586 12.187 -3.503 97 H CYS 14 H CYS 14 -2.194 13.855 -2.485 98 HA CYS 14 HA CYS 14 -2.256 16.204 -0.702 99 1HB CYS 14 2HB CYS 14 -1.988 13.336 -0.068 100 2HB CYS 14 1HB CYS 14 -0.835 14.392 0.738 101 H ARG 15 H ARG 15 -0.009 16.556 0.286 102 HA ARG 15 HA ARG 15 2.002 16.173 -1.827 103 1HB ARG 15 2HB ARG 15 2.816 18.379 -1.502 104 2HB ARG 15 1HB ARG 15 1.070 18.489 -1.661 105 1HG ARG 15 2HG ARG 15 0.869 18.654 0.776 106 2HG ARG 15 1HG ARG 15 2.628 18.591 0.910 107 1HD ARG 15 2HD ARG 15 2.880 20.668 -0.195 108 2HD ARG 15 1HD ARG 15 1.204 20.664 -0.738 109 HE ARG 15 HE ARG 15 0.555 21.465 1.318 110 1HH1 ARG 15 1HH1 ARG 15 3.899 20.475 1.459 111 2HH1 ARG 15 2HH1 ARG 15 4.178 21.206 3.004 112 1HH2 ARG 15 1HH2 ARG 15 0.919 22.421 3.350 113 2HH2 ARG 15 2HH2 ARG 15 2.486 22.310 4.079 114 H VAL 16 H VAL 16 1.386 14.965 1.045 115 HA VAL 16 HA VAL 16 3.938 15.485 2.328 116 HB VAL 16 HB VAL 16 2.457 13.256 3.449 117 1HG1 VAL 16 1HG1 VAL 16 4.007 14.157 4.871 118 2HG1 VAL 16 2HG1 VAL 16 2.540 14.956 5.436 119 3HG1 VAL 16 3HG1 VAL 16 3.659 15.813 4.377 120 1HG2 VAL 16 1HG2 VAL 16 0.706 14.969 4.422 121 2HG2 VAL 16 2HG2 VAL 16 0.395 14.100 2.919 122 3HG2 VAL 16 3HG2 VAL 16 0.967 15.768 2.872 123 H ARG 17 H ARG 17 5.400 13.754 2.904 124 HA ARG 17 HA ARG 17 5.529 11.713 0.792 125 1HB ARG 17 2HB ARG 17 7.447 13.482 1.688 126 2HB ARG 17 1HB ARG 17 7.888 11.987 2.502 127 1HG ARG 17 2HG ARG 17 8.435 10.928 0.566 128 2HG ARG 17 1HG ARG 17 7.281 11.852 -0.397 129 1HD ARG 17 2HD ARG 17 9.224 13.652 0.641 130 2HD ARG 17 1HD ARG 17 10.068 12.282 -0.075 131 HE ARG 17 HE ARG 17 9.059 12.787 -2.161 132 1HH1 ARG 17 1HH1 ARG 17 8.384 15.173 0.307 133 2HH1 ARG 17 2HH1 ARG 17 7.936 16.395 -0.832 134 1HH2 ARG 17 1HH2 ARG 17 8.467 14.398 -3.647 135 2HH2 ARG 17 2HH2 ARG 17 7.980 15.958 -3.071 136 H ILE 18 H ILE 18 4.674 9.827 1.387 137 HA ILE 18 HA ILE 18 5.424 8.732 4.012 138 HB ILE 18 HB ILE 18 2.682 8.528 2.777 139 1HG1 ILE 18 2HG1 ILE 18 3.775 10.214 5.018 140 2HG1 ILE 18 1HG1 ILE 18 2.841 10.728 3.618 141 1HG2 ILE 18 1HG2 ILE 18 3.124 7.756 5.582 142 2HG2 ILE 18 2HG2 ILE 18 3.818 6.685 4.366 143 3HG2 ILE 18 3HG2 ILE 18 2.090 7.032 4.350 144 1HD1 ILE 18 1HD1 ILE 18 1.087 10.750 4.966 145 2HD1 ILE 18 2HD1 ILE 18 1.948 9.870 6.228 146 3HD1 ILE 18 3HD1 ILE 18 1.147 8.988 4.927 147 H ILE 19 H ILE 19 6.853 7.221 3.298 148 HA ILE 19 HA ILE 19 6.532 5.671 0.959 149 HB ILE 19 HB ILE 19 8.245 5.201 3.406 150 1HG1 ILE 19 2HG1 ILE 19 9.879 5.789 1.247 151 2HG1 ILE 19 1HG1 ILE 19 8.504 6.863 1.019 152 1HG2 ILE 19 1HG2 ILE 19 8.687 3.169 2.626 153 2HG2 ILE 19 2HG2 ILE 19 9.353 3.902 1.167 154 3HG2 ILE 19 3HG2 ILE 19 7.651 3.442 1.226 155 1HD1 ILE 19 1HD1 ILE 19 10.450 6.747 3.281 156 2HD1 ILE 19 2HD1 ILE 19 8.858 7.479 3.492 157 3HD1 ILE 19 3HD1 ILE 19 9.972 8.122 2.284 158 H ARG 20 H ARG 20 4.424 4.873 1.090 159 HA ARG 20 HA ARG 20 3.756 3.064 3.264 160 1HB ARG 20 2HB ARG 20 2.223 4.258 0.989 161 2HB ARG 20 1HB ARG 20 1.581 2.862 1.837 162 1HG ARG 20 2HG ARG 20 2.341 5.462 3.150 163 2HG ARG 20 1HG ARG 20 0.704 5.016 2.666 164 1HD ARG 20 2HD ARG 20 0.498 3.445 4.319 165 2HD ARG 20 1HD ARG 20 2.228 3.133 4.386 166 HE ARG 20 HE ARG 20 2.495 4.958 5.812 167 1HH1 ARG 20 1HH1 ARG 20 -0.845 4.582 4.845 168 2HH1 ARG 20 2HH1 ARG 20 -1.449 5.613 6.095 169 1HH2 ARG 20 1HH2 ARG 20 1.697 6.317 7.449 170 2HH2 ARG 20 2HH2 ARG 20 -0.008 6.601 7.573 171 H TYR 21 H TYR 21 2.599 0.982 2.601 172 HA TYR 21 HA TYR 21 4.197 -0.356 0.514 173 1HB TYR 21 2HB TYR 21 3.159 -1.346 3.166 174 2HB TYR 21 1HB TYR 21 3.792 -2.428 1.927 175 HD1 TYR 21 1HD TYR 21 4.620 0.094 4.443 176 HD2 TYR 21 2HD TYR 21 6.179 -2.460 1.417 177 HE1 TYR 21 1HE TYR 21 6.889 0.435 5.329 178 HE2 TYR 21 2HE TYR 21 8.451 -2.123 2.294 179 HH TYR 21 HH TYR 21 9.495 0.095 3.891 180 H PHE 22 H PHE 22 3.166 -1.879 -0.815 181 HA PHE 22 HA PHE 22 0.319 -2.363 -0.459 182 1HB PHE 22 2HB PHE 22 -0.396 -1.567 -2.569 183 2HB PHE 22 1HB PHE 22 0.576 -0.280 -1.887 184 HD1 PHE 22 1HD PHE 22 -0.011 -2.287 -4.710 185 HD2 PHE 22 2HD PHE 22 3.092 -0.254 -2.623 186 HE1 PHE 22 1HE PHE 22 1.363 -2.300 -6.751 187 HE2 PHE 22 2HE PHE 22 4.471 -0.262 -4.661 188 HZ PHE 22 HZ PHE 22 3.609 -1.291 -6.727 189 H TYR 23 H TYR 23 -0.476 -3.856 -2.231 190 HA TYR 23 HA TYR 23 1.545 -5.974 -2.617 191 1HB TYR 23 2HB TYR 23 -0.465 -6.626 -1.382 192 2HB TYR 23 1HB TYR 23 -1.484 -6.089 -2.722 193 HD1 TYR 23 1HD TYR 23 1.334 -8.438 -2.005 194 HD2 TYR 23 2HD TYR 23 -2.169 -7.653 -4.288 195 HE1 TYR 23 1HE TYR 23 1.504 -10.670 -3.025 196 HE2 TYR 23 2HE TYR 23 -2.011 -9.882 -5.310 197 HH TYR 23 HH TYR 23 0.104 -12.300 -4.136 198 H ASN 24 H ASN 24 2.557 -5.396 -4.514 199 HA ASN 24 HA ASN 24 1.242 -4.391 -6.795 200 1HB ASN 24 2HB ASN 24 3.673 -4.153 -6.297 201 2HB ASN 24 1HB ASN 24 3.879 -5.872 -6.661 202 1HD2 ASN 24 1HD2 ASN 24 3.092 -2.731 -7.977 203 2HD2 ASN 24 2HD2 ASN 24 3.400 -3.143 -9.649 204 H ALA 25 H ALA 25 -0.029 -5.402 -8.202 205 HA ALA 25 HA ALA 25 -0.278 -8.290 -8.112 206 1HB ALA 25 1HB ALA 25 -1.976 -6.089 -8.801 207 2HB ALA 25 2HB ALA 25 -2.400 -7.770 -8.484 208 3HB ALA 25 3HB ALA 25 -1.959 -7.266 -10.114 209 H LYS 26 H LYS 26 2.026 -6.693 -9.470 210 HA LYS 26 HA LYS 26 1.882 -8.062 -12.080 211 1HB LYS 26 2HB LYS 26 3.058 -5.457 -11.233 212 2HB LYS 26 1HB LYS 26 3.910 -6.367 -12.471 213 1HG LYS 26 2HG LYS 26 1.128 -6.308 -13.107 214 2HG LYS 26 1HG LYS 26 1.684 -4.668 -12.770 215 1HD LYS 26 2HD LYS 26 2.386 -4.662 -14.897 216 2HD LYS 26 1HD LYS 26 3.713 -5.670 -14.317 217 1HE LYS 26 2HE LYS 26 1.293 -7.191 -14.881 218 2HE LYS 26 1HE LYS 26 1.907 -6.333 -16.293 219 1HZ LYS 26 1HZ LYS 26 3.851 -7.520 -16.282 220 2HZ LYS 26 2HZ LYS 26 2.775 -8.697 -15.721 221 3HZ LYS 26 3HZ LYS 26 3.774 -7.878 -14.631 222 H ALA 27 H ALA 27 3.766 -7.415 -9.215 223 HA ALA 27 HA ALA 27 5.733 -9.447 -10.020 224 1HB ALA 27 1HB ALA 27 5.992 -6.893 -8.734 225 2HB ALA 27 2HB ALA 27 7.251 -7.982 -9.314 226 3HB ALA 27 3HB ALA 27 6.614 -8.162 -7.679 227 H GLY 28 H GLY 28 2.988 -9.008 -8.160 228 1HA GLY 28 2HA GLY 28 1.926 -10.339 -6.667 229 2HA GLY 28 1HA GLY 28 3.170 -11.496 -7.005 230 H LEU 29 H LEU 29 4.602 -8.747 -6.032 231 HA LEU 29 HA LEU 29 4.779 -9.682 -3.248 232 1HB LEU 29 2HB LEU 29 6.874 -8.313 -4.934 233 2HB LEU 29 1HB LEU 29 7.048 -8.656 -3.224 234 HG LEU 29 HG LEU 29 6.423 -10.952 -5.003 235 1HD1 LEU 29 1HD1 LEU 29 9.268 -10.576 -4.855 236 2HD1 LEU 29 2HD1 LEU 29 8.509 -9.213 -5.678 237 3HD1 LEU 29 3HD1 LEU 29 8.245 -10.856 -6.264 238 1HD2 LEU 29 1HD2 LEU 29 6.719 -11.781 -2.929 239 2HD2 LEU 29 2HD2 LEU 29 7.699 -10.413 -2.403 240 3HD2 LEU 29 3HD2 LEU 29 8.425 -11.703 -3.363 241 H CYS 30 H CYS 30 5.509 -7.891 -1.712 242 HA CYS 30 HA CYS 30 3.738 -5.641 -2.111 243 1HB CYS 30 2HB CYS 30 5.147 -6.892 0.203 244 2HB CYS 30 1HB CYS 30 4.660 -5.207 0.330 245 H GLN 31 H GLN 31 4.401 -3.683 -2.735 246 HA GLN 31 HA GLN 31 7.270 -3.053 -2.499 247 1HB GLN 31 2HB GLN 31 5.442 -2.026 -4.666 248 2HB GLN 31 1HB GLN 31 7.189 -1.869 -4.579 249 1HG GLN 31 2HG GLN 31 6.077 -4.610 -4.609 250 2HG GLN 31 1HG GLN 31 5.972 -3.673 -6.098 251 1HE2 GLN 31 1HE2 GLN 31 7.415 -5.004 -7.170 252 2HE2 GLN 31 2HE2 GLN 31 9.109 -4.996 -6.830 253 H THR 32 H THR 32 7.707 -0.658 -2.578 254 HA THR 32 HA THR 32 5.813 0.685 -0.793 255 HB THR 32 HB THR 32 7.725 2.191 -0.280 256 HG1 THR 32 1HG THR 32 9.259 0.387 -1.831 257 1HG2 THR 32 1HG2 THR 32 7.314 -0.159 0.816 258 2HG2 THR 32 2HG2 THR 32 8.735 0.808 1.205 259 3HG2 THR 32 3HG2 THR 32 8.860 -0.524 0.054 260 H PHE 33 H PHE 33 5.619 3.071 -1.001 261 HA PHE 33 HA PHE 33 6.174 4.249 -3.567 262 1HB PHE 33 2HB PHE 33 3.830 4.808 -4.109 263 2HB PHE 33 1HB PHE 33 4.135 3.082 -4.169 264 HD1 PHE 33 1HD PHE 33 3.823 2.088 -1.541 265 HD2 PHE 33 2HD PHE 33 1.713 5.270 -3.420 266 HE1 PHE 33 1HE PHE 33 1.935 1.734 -0.014 267 HE2 PHE 33 2HE PHE 33 -0.181 4.917 -1.893 268 HZ PHE 33 HZ PHE 33 -0.070 3.149 -0.185 269 H VAL 34 H VAL 34 5.438 6.525 -3.643 270 HA VAL 34 HA VAL 34 5.847 7.717 -1.020 271 HB VAL 34 HB VAL 34 5.730 9.081 -3.711 272 1HG1 VAL 34 1HG1 VAL 34 6.747 10.013 -1.026 273 2HG1 VAL 34 2HG1 VAL 34 5.320 10.608 -1.875 274 3HG1 VAL 34 3HG1 VAL 34 6.928 10.896 -2.542 275 1HG2 VAL 34 1HG2 VAL 34 8.076 8.011 -2.151 276 2HG2 VAL 34 2HG2 VAL 34 8.218 9.125 -3.511 277 3HG2 VAL 34 3HG2 VAL 34 7.538 7.516 -3.757 278 H TYR 35 H TYR 35 3.636 7.005 -0.394 279 HA TYR 35 HA TYR 35 1.358 8.241 -1.567 280 1HB TYR 35 2HB TYR 35 0.748 6.345 -0.431 281 2HB TYR 35 1HB TYR 35 1.896 6.621 0.867 282 HD1 TYR 35 1HD TYR 35 -1.101 8.315 -0.506 283 HD2 TYR 35 2HD TYR 35 0.992 7.051 2.903 284 HE1 TYR 35 1HE TYR 35 -2.920 9.192 0.917 285 HE2 TYR 35 2HE TYR 35 -0.798 7.877 4.360 286 HH TYR 35 HH TYR 35 -3.597 9.576 3.009 287 H GLY 36 H GLY 36 0.181 10.015 -0.898 288 1HA GLY 36 2HA GLY 36 1.696 12.053 0.418 289 2HA GLY 36 1HA GLY 36 0.067 12.221 -0.203 290 H GLY 37 H GLY 37 -1.674 11.682 1.122 291 1HA GLY 37 2HA GLY 37 -1.853 10.565 3.574 292 2HA GLY 37 1HA GLY 37 -1.222 12.159 3.881 293 H CYS 38 H CYS 38 -3.535 11.194 1.408 294 HA CYS 38 HA CYS 38 -5.453 13.072 2.619 295 1HB CYS 38 2HB CYS 38 -4.696 12.464 -0.201 296 2HB CYS 38 1HB CYS 38 -6.354 12.954 0.128 297 H ARG 39 H ARG 39 -6.286 11.339 3.954 298 HA ARG 39 HA ARG 39 -8.103 10.043 4.450 299 1HB ARG 39 2HB ARG 39 -8.691 10.759 1.757 300 2HB ARG 39 1HB ARG 39 -9.015 9.045 1.946 301 1HG ARG 39 2HG ARG 39 -10.033 10.862 4.051 302 2HG ARG 39 1HG ARG 39 -10.827 10.904 2.476 303 1HD ARG 39 2HD ARG 39 -11.941 9.320 3.941 304 2HD ARG 39 1HD ARG 39 -11.176 8.481 2.596 305 HE ARG 39 HE ARG 39 -9.522 7.662 4.082 306 1HH1 ARG 39 1HH1 ARG 39 -12.063 9.434 5.709 307 2HH1 ARG 39 2HH1 ARG 39 -11.703 8.758 7.260 308 1HH2 ARG 39 1HH2 ARG 39 -9.057 6.782 6.124 309 2HH2 ARG 39 2HH2 ARG 39 -10.000 7.258 7.497 310 H ALA 40 H ALA 40 -5.644 9.021 2.249 311 HA ALA 40 HA ALA 40 -4.575 7.035 1.951 312 1HB ALA 40 1HB ALA 40 -4.292 7.233 4.390 313 2HB ALA 40 2HB ALA 40 -4.399 5.555 3.858 314 3HB ALA 40 3HB ALA 40 -5.788 6.330 4.619 315 H LYS 41 H LYS 41 -4.887 4.667 1.641 316 HA LYS 41 HA LYS 41 -7.690 4.088 0.948 317 1HB LYS 41 2HB LYS 41 -5.233 3.907 -0.604 318 2HB LYS 41 1HB LYS 41 -6.129 2.395 -0.607 319 1HG LYS 41 2HG LYS 41 -6.693 3.897 -2.488 320 2HG LYS 41 1HG LYS 41 -8.078 3.472 -1.480 321 1HD LYS 41 2HD LYS 41 -7.807 5.630 -0.286 322 2HD LYS 41 1HD LYS 41 -6.514 6.051 -1.407 323 1HE LYS 41 2HE LYS 41 -8.004 6.093 -3.250 324 2HE LYS 41 1HE LYS 41 -9.291 5.333 -2.313 325 1HZ LYS 41 1HZ LYS 41 -9.081 7.419 -0.849 326 2HZ LYS 41 2HZ LYS 41 -9.888 7.549 -2.329 327 3HZ LYS 41 3HZ LYS 41 -8.296 8.105 -2.183 328 H ARG 42 H ARG 42 -7.389 1.396 0.303 329 HA ARG 42 HA ARG 42 -7.266 0.250 2.961 330 1HB ARG 42 2HB ARG 42 -8.095 -0.903 0.289 331 2HB ARG 42 1HB ARG 42 -8.147 -1.795 1.813 332 1HG ARG 42 2HG ARG 42 -10.309 -1.054 1.647 333 2HG ARG 42 1HG ARG 42 -9.580 0.225 2.617 334 1HD ARG 42 2HD ARG 42 -10.391 1.655 1.116 335 2HD ARG 42 1HD ARG 42 -9.146 1.058 0.024 336 HE ARG 42 HE ARG 42 -11.447 -0.591 -0.070 337 1HH1 ARG 42 1HH1 ARG 42 -10.214 2.493 -1.141 338 2HH1 ARG 42 2HH1 ARG 42 -11.237 2.560 -2.536 339 1HH2 ARG 42 1HH2 ARG 42 -12.795 -0.505 -1.907 340 2HH2 ARG 42 2HH2 ARG 42 -12.703 0.857 -2.971 341 H ASN 43 H ASN 43 -5.586 -0.097 -0.140 342 HA ASN 43 HA ASN 43 -3.807 -2.073 1.038 343 1HB ASN 43 2HB ASN 43 -4.841 -2.035 -1.421 344 2HB ASN 43 1HB ASN 43 -3.397 -1.082 -1.742 345 1HD2 ASN 43 1HD2 ASN 43 -4.671 -4.190 -1.044 346 2HD2 ASN 43 2HD2 ASN 43 -3.196 -5.075 -1.206 347 H ASN 44 H ASN 44 -3.321 -0.098 2.464 348 HA ASN 44 HA ASN 44 -0.786 1.041 1.515 349 1HB ASN 44 2HB ASN 44 -3.049 2.613 2.766 350 2HB ASN 44 1HB ASN 44 -1.409 3.225 2.599 351 1HD2 ASN 44 1HD2 ASN 44 -2.692 4.903 1.446 352 2HD2 ASN 44 2HD2 ASN 44 -2.945 4.678 -0.257 353 H PHE 45 H PHE 45 0.109 -0.618 2.933 354 HA PHE 45 HA PHE 45 -0.446 -0.410 5.773 355 1HB PHE 45 2HB PHE 45 1.765 -2.052 4.557 356 2HB PHE 45 1HB PHE 45 0.880 -2.336 6.052 357 HD1 PHE 45 1HD PHE 45 -1.484 -3.096 5.954 358 HD2 PHE 45 2HD PHE 45 0.977 -2.884 2.493 359 HE1 PHE 45 1HE PHE 45 -3.062 -4.546 4.751 360 HE2 PHE 45 2HE PHE 45 -0.594 -4.338 1.281 361 HZ PHE 45 HZ PHE 45 -2.619 -5.169 2.409 362 H LYS 46 H LYS 46 1.334 -0.178 7.330 363 HA LYS 46 HA LYS 46 3.028 2.058 6.550 364 1HB LYS 46 2HB LYS 46 1.717 1.210 8.957 365 2HB LYS 46 1HB LYS 46 3.439 1.391 9.269 366 1HG LYS 46 2HG LYS 46 3.380 3.618 9.055 367 2HG LYS 46 1HG LYS 46 2.216 3.565 7.731 368 1HD LYS 46 2HD LYS 46 1.542 3.104 10.635 369 2HD LYS 46 1HD LYS 46 1.319 4.633 9.782 370 1HE LYS 46 2HE LYS 46 -0.723 3.890 9.275 371 2HE LYS 46 1HE LYS 46 0.075 2.802 8.139 372 1HZ LYS 46 1HZ LYS 46 -1.088 2.231 10.757 373 2HZ LYS 46 2HZ LYS 46 0.291 1.357 10.320 374 3HZ LYS 46 3HZ LYS 46 -1.089 1.298 9.345 375 H SER 47 H SER 47 3.259 -1.310 7.031 376 HA SER 47 HA SER 47 6.146 -1.147 6.683 377 1HB SER 47 2HB SER 47 5.920 -3.232 8.500 378 2HB SER 47 1HB SER 47 6.556 -1.623 8.833 379 HG SER 47 HG SER 47 4.811 -1.168 9.927 380 H ALA 48 H ALA 48 7.117 -3.040 5.875 381 HA ALA 48 HA ALA 48 5.653 -4.411 3.940 382 1HB ALA 48 1HB ALA 48 7.673 -5.102 3.308 383 2HB ALA 48 2HB ALA 48 7.923 -5.959 4.829 384 3HB ALA 48 3HB ALA 48 8.330 -4.247 4.704 385 H GLU 49 H GLU 49 6.287 -5.140 7.302 386 HA GLU 49 HA GLU 49 5.492 -7.847 7.288 387 1HB GLU 49 2HB GLU 49 5.444 -5.784 9.500 388 2HB GLU 49 1HB GLU 49 5.114 -7.493 9.746 389 1HG GLU 49 2HG GLU 49 7.305 -7.490 10.284 390 2HG GLU 49 1HG GLU 49 7.466 -7.728 8.546 391 H ASP 50 H ASP 50 3.695 -4.871 8.072 392 HA ASP 50 HA ASP 50 1.226 -6.056 8.608 393 1HB ASP 50 2HB ASP 50 2.038 -3.346 7.591 394 2HB ASP 50 1HB ASP 50 0.332 -3.778 7.676 395 H CYS 51 H CYS 51 2.773 -5.140 5.596 396 HA CYS 51 HA CYS 51 0.628 -5.519 3.832 397 1HB CYS 51 2HB CYS 51 3.130 -4.653 3.524 398 2HB CYS 51 1HB CYS 51 3.397 -6.321 3.040 399 H LEU 52 H LEU 52 3.358 -7.733 4.402 400 HA LEU 52 HA LEU 52 2.277 -9.975 3.171 401 1HB LEU 52 2HB LEU 52 4.057 -9.961 5.614 402 2HB LEU 52 1HB LEU 52 3.836 -11.299 4.502 403 HG LEU 52 HG LEU 52 5.065 -8.642 3.761 404 1HD1 LEU 52 1HD1 LEU 52 6.290 -11.278 4.524 405 2HD1 LEU 52 2HD1 LEU 52 6.583 -9.689 5.230 406 3HD1 LEU 52 3HD1 LEU 52 7.158 -10.050 3.602 407 1HD2 LEU 52 1HD2 LEU 52 5.129 -9.337 1.636 408 2HD2 LEU 52 2HD2 LEU 52 3.880 -10.486 2.117 409 3HD2 LEU 52 3HD2 LEU 52 5.572 -10.982 2.091 410 H ARG 53 H ARG 53 1.721 -8.673 6.373 411 HA ARG 53 HA ARG 53 0.352 -10.933 7.413 412 1HB ARG 53 2HB ARG 53 1.298 -8.630 8.500 413 2HB ARG 53 1HB ARG 53 -0.420 -8.273 8.435 414 1HG ARG 53 2HG ARG 53 -0.676 -10.607 9.549 415 2HG ARG 53 1HG ARG 53 1.019 -10.378 9.982 416 1HD ARG 53 2HD ARG 53 0.549 -8.777 11.495 417 2HD ARG 53 1HD ARG 53 -0.722 -8.068 10.498 418 HE ARG 53 HE ARG 53 -1.664 -10.510 11.444 419 1HH1 ARG 53 1HH1 ARG 53 -0.709 -7.409 12.728 420 2HH1 ARG 53 2HH1 ARG 53 -1.773 -7.506 14.091 421 1HH2 ARG 53 1HH2 ARG 53 -3.065 -10.637 13.235 422 2HH2 ARG 53 2HH2 ARG 53 -3.111 -9.338 14.379 423 H THR 54 H THR 54 -0.571 -8.249 5.381 424 HA THR 54 HA THR 54 -3.410 -8.906 5.690 425 HB THR 54 HB THR 54 -2.148 -6.671 4.100 426 HG1 THR 54 1HG THR 54 -3.291 -6.564 6.690 427 1HG2 THR 54 1HG2 THR 54 -4.180 -6.021 3.514 428 2HG2 THR 54 2HG2 THR 54 -4.772 -6.169 5.169 429 3HG2 THR 54 3HG2 THR 54 -4.774 -7.573 4.103 430 H CYS 55 H CYS 55 -0.974 -8.654 3.071 431 HA CYS 55 HA CYS 55 -2.861 -10.114 1.354 432 1HB CYS 55 2HB CYS 55 -0.704 -8.122 0.749 433 2HB CYS 55 1HB CYS 55 -1.295 -9.216 -0.499 434 H GLY 56 H GLY 56 -0.255 -10.812 3.219 435 1HA GLY 56 2HA GLY 56 1.442 -12.233 1.465 436 2HA GLY 56 1HA GLY 56 1.321 -12.511 3.194 437 H GLY 57 H GLY 57 0.181 -14.259 3.940 438 1HA GLY 57 2HA GLY 57 -1.841 -15.641 2.641 439 2HA GLY 57 1HA GLY 57 -0.335 -16.362 2.099 440 H ALA 58 H ALA 58 -1.325 -18.281 3.140 441 HA ALA 58 HA ALA 58 -0.441 -18.427 5.932 442 1HB ALA 58 1HB ALA 58 -2.588 -18.399 6.586 443 2HB ALA 58 2HB ALA 58 -2.617 -20.063 6.003 444 3HB ALA 58 3HB ALA 58 -3.189 -18.756 4.967 Start of MODEL 7 1 1H ARG 1 1HT ARG 1 -4.959 -15.055 -0.987 2 2H ARG 1 2HT ARG 1 -6.663 -14.876 -1.087 3 3H ARG 1 3HT ARG 1 -5.849 -14.554 0.390 4 HA ARG 1 HA ARG 1 -4.905 -12.643 -0.386 5 1HB ARG 1 2HB ARG 1 -4.814 -12.052 -2.734 6 2HB ARG 1 1HB ARG 1 -4.165 -13.671 -2.522 7 1HG ARG 1 2HG ARG 1 -6.650 -14.362 -3.080 8 2HG ARG 1 1HG ARG 1 -6.659 -12.782 -3.865 9 1HD ARG 1 2HD ARG 1 -5.197 -13.422 -5.477 10 2HD ARG 1 1HD ARG 1 -4.328 -14.515 -4.403 11 HE ARG 1 HE ARG 1 -6.960 -15.172 -5.566 12 1HH1 ARG 1 1HH1 ARG 1 -3.677 -16.067 -4.743 13 2HH1 ARG 1 2HH1 ARG 1 -3.865 -17.701 -5.278 14 1HH2 ARG 1 1HH2 ARG 1 -7.192 -17.318 -6.265 15 2HH2 ARG 1 2HH2 ARG 1 -5.854 -18.411 -6.141 16 HA PRO 2 HA PRO 2 -9.158 -11.275 0.337 17 1HB PRO 2 2HB PRO 2 -7.819 -8.742 1.007 18 2HB PRO 2 1HB PRO 2 -8.914 -9.725 1.985 19 1HG PRO 2 2HG PRO 2 -6.282 -9.568 2.511 20 2HG PRO 2 1HG PRO 2 -7.214 -11.055 2.786 21 1HD PRO 2 2HD PRO 2 -5.327 -10.385 0.567 22 2HD PRO 2 1HD PRO 2 -5.596 -11.934 1.394 23 H ASP 3 H ASP 3 -10.552 -9.753 -0.642 24 HA ASP 3 HA ASP 3 -10.184 -9.248 -3.317 25 1HB ASP 3 2HB ASP 3 -11.946 -7.880 -1.290 26 2HB ASP 3 1HB ASP 3 -12.008 -7.486 -3.005 27 H PHE 4 H PHE 4 -9.964 -6.763 -0.750 28 HA PHE 4 HA PHE 4 -9.149 -4.662 -2.314 29 1HB PHE 4 2HB PHE 4 -8.331 -3.656 -0.270 30 2HB PHE 4 1HB PHE 4 -9.844 -4.485 0.037 31 HD1 PHE 4 1HD PHE 4 -6.181 -4.705 0.450 32 HD2 PHE 4 2HD PHE 4 -9.984 -6.220 1.608 33 HE1 PHE 4 1HE PHE 4 -5.122 -5.955 2.287 34 HE2 PHE 4 2HE PHE 4 -8.932 -7.472 3.443 35 HZ PHE 4 HZ PHE 4 -6.498 -7.347 3.784 36 H CYS 5 H CYS 5 -7.278 -7.431 -1.347 37 HA CYS 5 HA CYS 5 -4.701 -6.360 -1.465 38 1HB CYS 5 2HB CYS 5 -5.104 -8.631 -0.669 39 2HB CYS 5 1HB CYS 5 -5.625 -9.124 -2.277 40 H LEU 6 H LEU 6 -6.993 -6.956 -3.970 41 HA LEU 6 HA LEU 6 -5.018 -6.842 -6.097 42 1HB LEU 6 2HB LEU 6 -8.019 -6.789 -6.366 43 2HB LEU 6 1HB LEU 6 -6.845 -7.194 -7.603 44 HG LEU 6 HG LEU 6 -6.784 -8.913 -5.207 45 1HD1 LEU 6 1HD1 LEU 6 -9.133 -8.897 -7.090 46 2HD1 LEU 6 2HD1 LEU 6 -9.159 -8.661 -5.342 47 3HD1 LEU 6 3HD1 LEU 6 -8.728 -10.233 -6.012 48 1HD2 LEU 6 1HD2 LEU 6 -7.102 -10.020 -7.909 49 2HD2 LEU 6 2HD2 LEU 6 -5.930 -10.410 -6.651 50 3HD2 LEU 6 3HD2 LEU 6 -5.682 -9.000 -7.679 51 H GLU 7 H GLU 7 -5.629 -4.531 -4.198 52 HA GLU 7 HA GLU 7 -6.500 -2.536 -6.160 53 1HB GLU 7 2HB GLU 7 -7.594 -2.710 -3.866 54 2HB GLU 7 1HB GLU 7 -6.085 -2.097 -3.206 55 1HG GLU 7 2HG GLU 7 -7.043 -0.455 -5.382 56 2HG GLU 7 1HG GLU 7 -8.243 -0.611 -4.103 57 HA PRO 8 HA PRO 8 -2.193 -1.414 -6.617 58 1HB PRO 8 2HB PRO 8 -2.610 0.904 -8.005 59 2HB PRO 8 1HB PRO 8 -2.672 -0.700 -8.745 60 1HG PRO 8 2HG PRO 8 -4.915 1.045 -7.809 61 2HG PRO 8 1HG PRO 8 -4.794 0.072 -9.287 62 1HD PRO 8 2HD PRO 8 -6.201 -0.747 -7.140 63 2HD PRO 8 1HD PRO 8 -5.334 -1.888 -8.190 64 HA PRO 9 HA PRO 9 -1.387 1.684 -3.580 65 1HB PRO 9 2HB PRO 9 0.614 3.191 -4.610 66 2HB PRO 9 1HB PRO 9 0.851 1.531 -4.061 67 1HG PRO 9 2HG PRO 9 0.508 2.571 -6.839 68 2HG PRO 9 1HG PRO 9 1.602 1.308 -6.237 69 1HD PRO 9 2HD PRO 9 -0.757 0.791 -7.523 70 2HD PRO 9 1HD PRO 9 -0.020 -0.310 -6.341 71 H TYR 10 H TYR 10 -1.581 3.959 -3.026 72 HA TYR 10 HA TYR 10 -2.623 5.730 -5.099 73 1HB TYR 10 2HB TYR 10 -4.528 4.349 -4.141 74 2HB TYR 10 1HB TYR 10 -4.245 5.175 -2.614 75 HD1 TYR 10 1HD TYR 10 -5.498 7.048 -2.156 76 HD2 TYR 10 2HD TYR 10 -4.826 5.981 -6.219 77 HE1 TYR 10 1HE TYR 10 -6.960 8.889 -2.873 78 HE2 TYR 10 2HE TYR 10 -6.286 7.823 -6.949 79 HH TYR 10 HH TYR 10 -7.066 10.037 -6.007 80 H THR 11 H THR 11 -1.494 7.521 -4.843 81 HA THR 11 HA THR 11 -0.456 8.298 -2.239 82 HB THR 11 HB THR 11 -0.153 9.576 -4.968 83 HG1 THR 11 1HG THR 11 0.915 7.671 -5.010 84 1HG2 THR 11 1HG2 THR 11 1.759 10.752 -4.043 85 2HG2 THR 11 2HG2 THR 11 1.405 10.093 -2.447 86 3HG2 THR 11 3HG2 THR 11 0.272 11.206 -3.212 87 H GLY 12 H GLY 12 -3.273 8.867 -4.003 88 1HA GLY 12 2HA GLY 12 -4.971 10.367 -3.855 89 2HA GLY 12 1HA GLY 12 -4.460 10.481 -2.184 90 HA PRO 13 HA PRO 13 -3.799 14.540 -4.502 91 1HB PRO 13 2HB PRO 13 -5.986 15.692 -2.970 92 2HB PRO 13 1HB PRO 13 -5.795 15.583 -4.719 93 1HG PRO 13 2HG PRO 13 -7.659 14.170 -3.323 94 2HG PRO 13 1HG PRO 13 -6.957 13.617 -4.853 95 1HD PRO 13 2HD PRO 13 -6.293 12.795 -2.052 96 2HD PRO 13 1HD PRO 13 -6.419 11.802 -3.525 97 H CYS 14 H CYS 14 -2.024 13.953 -2.823 98 HA CYS 14 HA CYS 14 -2.040 16.091 -0.820 99 1HB CYS 14 2HB CYS 14 -1.938 13.220 -0.258 100 2HB CYS 14 1HB CYS 14 -0.589 14.110 0.443 101 H ARG 15 H ARG 15 0.222 16.365 0.096 102 HA ARG 15 HA ARG 15 2.181 16.004 -2.069 103 1HB ARG 15 2HB ARG 15 3.026 18.200 -1.707 104 2HB ARG 15 1HB ARG 15 1.278 18.324 -1.854 105 1HG ARG 15 2HG ARG 15 1.654 18.004 0.849 106 2HG ARG 15 1HG ARG 15 3.016 19.014 0.365 107 1HD ARG 15 2HD ARG 15 0.676 19.966 -0.948 108 2HD ARG 15 1HD ARG 15 0.311 19.768 0.765 109 HE ARG 15 HE ARG 15 1.908 21.791 -0.388 110 1HH1 ARG 15 1HH1 ARG 15 1.750 19.702 2.402 111 2HH1 ARG 15 2HH1 ARG 15 2.622 20.794 3.425 112 1HH2 ARG 15 1HH2 ARG 15 3.055 23.229 0.955 113 2HH2 ARG 15 2HH2 ARG 15 3.363 22.797 2.603 114 H VAL 16 H VAL 16 1.525 15.101 1.030 115 HA VAL 16 HA VAL 16 4.137 15.463 2.169 116 HB VAL 16 HB VAL 16 2.518 13.309 3.331 117 1HG1 VAL 16 1HG1 VAL 16 4.320 15.442 4.157 118 2HG1 VAL 16 2HG1 VAL 16 4.024 13.860 4.877 119 3HG1 VAL 16 3HG1 VAL 16 2.955 15.212 5.248 120 1HG2 VAL 16 1HG2 VAL 16 1.347 15.992 2.841 121 2HG2 VAL 16 2HG2 VAL 16 1.102 15.280 4.435 122 3HG2 VAL 16 3HG2 VAL 16 0.556 14.423 2.994 123 H ARG 17 H ARG 17 5.498 13.666 2.855 124 HA ARG 17 HA ARG 17 5.624 11.607 0.759 125 1HB ARG 17 2HB ARG 17 7.548 13.191 1.000 126 2HB ARG 17 1HB ARG 17 7.834 12.527 2.603 127 1HG ARG 17 2HG ARG 17 8.361 10.379 1.692 128 2HG ARG 17 1HG ARG 17 7.873 10.894 0.076 129 1HD ARG 17 2HD ARG 17 9.674 12.602 0.136 130 2HD ARG 17 1HD ARG 17 10.199 11.941 1.684 131 HE ARG 17 HE ARG 17 10.239 9.780 0.077 132 1HH1 ARG 17 1HH1 ARG 17 11.576 12.988 -0.254 133 2HH1 ARG 17 2HH1 ARG 17 12.913 12.466 -1.221 134 1HH2 ARG 17 1HH2 ARG 17 12.001 9.092 -1.193 135 2HH2 ARG 17 2HH2 ARG 17 13.156 10.255 -1.753 136 H ILE 18 H ILE 18 4.421 9.944 1.557 137 HA ILE 18 HA ILE 18 5.302 8.799 4.131 138 HB ILE 18 HB ILE 18 2.546 8.605 2.915 139 1HG1 ILE 18 2HG1 ILE 18 3.623 10.245 5.212 140 2HG1 ILE 18 1HG1 ILE 18 2.852 10.835 3.745 141 1HG2 ILE 18 1HG2 ILE 18 2.901 7.876 5.719 142 2HG2 ILE 18 2HG2 ILE 18 3.747 6.818 4.592 143 3HG2 ILE 18 3HG2 ILE 18 2.008 7.060 4.436 144 1HD1 ILE 18 1HD1 ILE 18 1.587 10.673 6.067 145 2HD1 ILE 18 2HD1 ILE 18 1.254 9.047 5.476 146 3HD1 ILE 18 3HD1 ILE 18 0.767 10.448 4.524 147 H ILE 19 H ILE 19 6.672 7.220 3.505 148 HA ILE 19 HA ILE 19 6.393 5.690 1.150 149 HB ILE 19 HB ILE 19 8.001 5.112 3.639 150 1HG1 ILE 19 2HG1 ILE 19 8.638 7.237 2.669 151 2HG1 ILE 19 1HG1 ILE 19 9.895 6.048 2.343 152 1HG2 ILE 19 1HG2 ILE 19 9.386 3.921 1.676 153 2HG2 ILE 19 2HG2 ILE 19 7.752 3.735 1.037 154 3HG2 ILE 19 3HG2 ILE 19 8.156 3.090 2.628 155 1HD1 ILE 19 1HD1 ILE 19 9.785 6.715 0.232 156 2HD1 ILE 19 2HD1 ILE 19 8.279 7.591 0.508 157 3HD1 ILE 19 3HD1 ILE 19 8.242 5.866 0.144 158 H ARG 20 H ARG 20 4.268 4.911 1.230 159 HA ARG 20 HA ARG 20 3.552 3.060 3.359 160 1HB ARG 20 2HB ARG 20 2.069 4.255 1.042 161 2HB ARG 20 1HB ARG 20 1.412 2.873 1.900 162 1HG ARG 20 2HG ARG 20 2.137 5.508 3.164 163 2HG ARG 20 1HG ARG 20 0.507 5.018 2.696 164 1HD ARG 20 2HD ARG 20 0.274 3.669 4.487 165 2HD ARG 20 1HD ARG 20 1.927 3.072 4.372 166 HE ARG 20 HE ARG 20 2.640 4.804 5.756 167 1HH1 ARG 20 1HH1 ARG 20 -0.788 5.044 5.105 168 2HH1 ARG 20 2HH1 ARG 20 -1.077 6.163 6.392 169 1HH2 ARG 20 1HH2 ARG 20 2.250 6.284 7.444 170 2HH2 ARG 20 2HH2 ARG 20 0.642 6.867 7.717 171 H TYR 21 H TYR 21 2.462 0.965 2.632 172 HA TYR 21 HA TYR 21 4.107 -0.267 0.512 173 1HB TYR 21 2HB TYR 21 3.186 -1.306 3.178 174 2HB TYR 21 1HB TYR 21 3.651 -2.413 1.886 175 HD1 TYR 21 1HD TYR 21 4.816 -0.005 4.354 176 HD2 TYR 21 2HD TYR 21 5.985 -2.502 1.115 177 HE1 TYR 21 1HE TYR 21 7.165 0.244 5.023 178 HE2 TYR 21 2HE TYR 21 8.343 -2.264 1.776 179 HH TYR 21 HH TYR 21 9.461 0.068 3.791 180 H PHE 22 H PHE 22 3.133 -1.788 -0.863 181 HA PHE 22 HA PHE 22 0.274 -2.294 -0.578 182 1HB PHE 22 2HB PHE 22 -0.361 -1.466 -2.708 183 2HB PHE 22 1HB PHE 22 0.586 -0.191 -1.967 184 HD1 PHE 22 1HD PHE 22 0.145 -2.212 -4.826 185 HD2 PHE 22 2HD PHE 22 3.104 -0.107 -2.606 186 HE1 PHE 22 1HE PHE 22 1.615 -2.209 -6.799 187 HE2 PHE 22 2HE PHE 22 4.578 -0.098 -4.575 188 HZ PHE 22 HZ PHE 22 3.836 -1.152 -6.675 189 H TYR 23 H TYR 23 -0.453 -3.728 -2.469 190 HA TYR 23 HA TYR 23 1.577 -5.850 -2.821 191 1HB TYR 23 2HB TYR 23 -0.461 -6.527 -1.642 192 2HB TYR 23 1HB TYR 23 -1.450 -5.971 -2.997 193 HD1 TYR 23 1HD TYR 23 1.271 -8.374 -2.146 194 HD2 TYR 23 2HD TYR 23 -1.996 -7.452 -4.709 195 HE1 TYR 23 1HE TYR 23 1.475 -10.589 -3.193 196 HE2 TYR 23 2HE TYR 23 -1.803 -9.666 -5.761 197 HH TYR 23 HH TYR 23 -0.610 -12.125 -4.670 198 H ASN 24 H ASN 24 2.625 -5.391 -4.705 199 HA ASN 24 HA ASN 24 1.329 -4.297 -6.990 200 1HB ASN 24 2HB ASN 24 3.757 -4.028 -6.392 201 2HB ASN 24 1HB ASN 24 4.001 -5.711 -6.884 202 1HD2 ASN 24 1HD2 ASN 24 3.280 -2.479 -7.946 203 2HD2 ASN 24 2HD2 ASN 24 3.564 -2.762 -9.649 204 H ALA 25 H ALA 25 0.125 -5.326 -8.442 205 HA ALA 25 HA ALA 25 -0.025 -8.221 -8.422 206 1HB ALA 25 1HB ALA 25 -1.770 -7.604 -10.312 207 2HB ALA 25 2HB ALA 25 -1.660 -6.016 -9.553 208 3HB ALA 25 3HB ALA 25 -2.148 -7.418 -8.600 209 H LYS 26 H LYS 26 2.204 -6.396 -9.721 210 HA LYS 26 HA LYS 26 2.235 -7.733 -12.348 211 1HB LYS 26 2HB LYS 26 3.028 -5.069 -11.437 212 2HB LYS 26 1HB LYS 26 4.294 -5.873 -12.352 213 1HG LYS 26 2HG LYS 26 1.861 -6.268 -13.739 214 2HG LYS 26 1HG LYS 26 1.960 -4.562 -13.302 215 1HD LYS 26 2HD LYS 26 4.424 -4.813 -14.181 216 2HD LYS 26 1HD LYS 26 3.743 -6.183 -15.060 217 1HE LYS 26 2HE LYS 26 2.037 -4.695 -16.020 218 2HE LYS 26 1HE LYS 26 2.764 -3.332 -15.168 219 1HZ LYS 26 1HZ LYS 26 4.821 -3.736 -16.410 220 2HZ LYS 26 2HZ LYS 26 3.522 -3.388 -17.436 221 3HZ LYS 26 3HZ LYS 26 4.063 -4.982 -17.268 222 H ALA 27 H ALA 27 4.047 -7.014 -9.442 223 HA ALA 27 HA ALA 27 6.119 -8.950 -10.196 224 1HB ALA 27 1HB ALA 27 7.018 -7.894 -7.878 225 2HB ALA 27 2HB ALA 27 6.062 -6.544 -8.490 226 3HB ALA 27 3HB ALA 27 7.369 -7.215 -9.466 227 H GLY 28 H GLY 28 3.290 -8.641 -8.370 228 1HA GLY 28 2HA GLY 28 2.190 -10.136 -7.070 229 2HA GLY 28 1HA GLY 28 3.518 -11.213 -7.365 230 H LEU 29 H LEU 29 4.924 -8.577 -6.218 231 HA LEU 29 HA LEU 29 4.829 -9.563 -3.449 232 1HB LEU 29 2HB LEU 29 7.086 -8.584 -3.184 233 2HB LEU 29 1HB LEU 29 7.017 -9.872 -4.371 234 HG LEU 29 HG LEU 29 6.653 -7.681 -5.954 235 1HD1 LEU 29 1HD1 LEU 29 8.212 -6.864 -3.546 236 2HD1 LEU 29 2HD1 LEU 29 7.029 -5.954 -4.484 237 3HD1 LEU 29 3HD1 LEU 29 8.649 -6.220 -5.129 238 1HD2 LEU 29 1HD2 LEU 29 8.908 -9.429 -5.222 239 2HD2 LEU 29 2HD2 LEU 29 9.328 -7.942 -6.072 240 3HD2 LEU 29 3HD2 LEU 29 8.201 -9.087 -6.801 241 H CYS 30 H CYS 30 5.459 -7.830 -1.810 242 HA CYS 30 HA CYS 30 3.703 -5.577 -2.240 243 1HB CYS 30 2HB CYS 30 5.010 -6.869 0.117 244 2HB CYS 30 1HB CYS 30 4.447 -5.208 0.256 245 H GLN 31 H GLN 31 4.388 -3.608 -2.787 246 HA GLN 31 HA GLN 31 7.229 -2.957 -2.350 247 1HB GLN 31 2HB GLN 31 5.460 -2.060 -4.628 248 2HB GLN 31 1HB GLN 31 7.117 -1.547 -4.371 249 1HG GLN 31 2HG GLN 31 7.748 -3.999 -4.541 250 2HG GLN 31 1HG GLN 31 6.110 -4.267 -5.134 251 1HE2 GLN 31 1HE2 GLN 31 8.536 -1.740 -5.709 252 2HE2 GLN 31 2HE2 GLN 31 8.522 -1.882 -7.430 253 H THR 32 H THR 32 7.566 -0.491 -2.480 254 HA THR 32 HA THR 32 5.543 0.745 -0.745 255 HB THR 32 HB THR 32 7.213 1.961 0.309 256 HG1 THR 32 1HG THR 32 9.213 2.389 -0.621 257 1HG2 THR 32 1HG2 THR 32 7.698 -0.747 0.076 258 2HG2 THR 32 2HG2 THR 32 8.414 0.357 1.249 259 3HG2 THR 32 3HG2 THR 32 9.258 0.006 -0.259 260 H PHE 33 H PHE 33 5.481 3.176 -0.877 261 HA PHE 33 HA PHE 33 6.115 4.383 -3.402 262 1HB PHE 33 2HB PHE 33 3.793 4.990 -4.002 263 2HB PHE 33 1HB PHE 33 4.085 3.264 -4.101 264 HD1 PHE 33 1HD PHE 33 3.674 2.199 -1.513 265 HD2 PHE 33 2HD PHE 33 1.659 5.455 -3.371 266 HE1 PHE 33 1HE PHE 33 1.728 1.818 -0.064 267 HE2 PHE 33 2HE PHE 33 -0.293 5.076 -1.923 268 HZ PHE 33 HZ PHE 33 -0.258 3.256 -0.264 269 H VAL 34 H VAL 34 5.448 6.661 -3.466 270 HA VAL 34 HA VAL 34 5.789 7.817 -0.824 271 HB VAL 34 HB VAL 34 5.741 9.213 -3.502 272 1HG1 VAL 34 1HG1 VAL 34 5.580 11.010 -2.160 273 2HG1 VAL 34 2HG1 VAL 34 7.291 10.716 -1.850 274 3HG1 VAL 34 3HG1 VAL 34 6.074 10.109 -0.726 275 1HG2 VAL 34 1HG2 VAL 34 8.195 8.491 -1.924 276 2HG2 VAL 34 2HG2 VAL 34 8.084 9.047 -3.595 277 3HG2 VAL 34 3HG2 VAL 34 7.527 7.429 -3.165 278 H TYR 35 H TYR 35 3.551 7.103 -0.270 279 HA TYR 35 HA TYR 35 1.301 8.316 -1.475 280 1HB TYR 35 2HB TYR 35 0.650 6.494 -0.242 281 2HB TYR 35 1HB TYR 35 1.815 6.807 1.034 282 HD1 TYR 35 1HD TYR 35 -1.071 8.631 -0.394 283 HD2 TYR 35 2HD TYR 35 0.844 7.221 3.064 284 HE1 TYR 35 1HE TYR 35 -2.841 9.662 0.990 285 HE2 TYR 35 2HE TYR 35 -0.919 8.191 4.470 286 HH TYR 35 HH TYR 35 -2.705 9.549 4.504 287 H GLY 36 H GLY 36 0.113 10.119 -0.922 288 1HA GLY 36 2HA GLY 36 1.558 12.290 0.184 289 2HA GLY 36 1HA GLY 36 -0.141 12.309 -0.249 290 H GLY 37 H GLY 37 -1.693 11.932 1.354 291 1HA GLY 37 2HA GLY 37 -1.373 10.855 3.849 292 2HA GLY 37 1HA GLY 37 -0.839 12.503 3.976 293 H CYS 38 H CYS 38 -3.479 11.556 1.880 294 HA CYS 38 HA CYS 38 -5.419 12.403 3.878 295 1HB CYS 38 2HB CYS 38 -6.482 13.950 2.086 296 2HB CYS 38 1HB CYS 38 -5.135 14.541 3.051 297 H ARG 39 H ARG 39 -7.297 11.424 3.729 298 HA ARG 39 HA ARG 39 -9.071 10.246 2.943 299 1HB ARG 39 2HB ARG 39 -7.752 10.918 0.399 300 2HB ARG 39 1HB ARG 39 -8.713 9.451 0.368 301 1HG ARG 39 2HG ARG 39 -9.882 11.929 1.535 302 2HG ARG 39 1HG ARG 39 -9.784 11.754 -0.219 303 1HD ARG 39 2HD ARG 39 -11.940 10.978 0.645 304 2HD ARG 39 1HD ARG 39 -11.028 9.669 -0.099 305 HE ARG 39 HE ARG 39 -10.608 8.772 2.050 306 1HH1 ARG 39 1HH1 ARG 39 -12.747 11.539 2.129 307 2HH1 ARG 39 2HH1 ARG 39 -13.366 11.163 3.700 308 1HH2 ARG 39 1HH2 ARG 39 -11.423 8.291 4.114 309 2HH2 ARG 39 2HH2 ARG 39 -12.616 9.325 4.827 310 H ALA 40 H ALA 40 -5.839 9.196 2.164 311 HA ALA 40 HA ALA 40 -4.831 7.143 2.148 312 1HB ALA 40 1HB ALA 40 -6.133 5.628 4.009 313 2HB ALA 40 2HB ALA 40 -6.572 7.266 4.492 314 3HB ALA 40 3HB ALA 40 -4.873 6.812 4.360 315 H LYS 41 H LYS 41 -5.183 4.727 1.956 316 HA LYS 41 HA LYS 41 -7.666 4.131 0.497 317 1HB LYS 41 2HB LYS 41 -4.864 3.853 -0.416 318 2HB LYS 41 1HB LYS 41 -5.922 2.500 -0.776 319 1HG LYS 41 2HG LYS 41 -6.375 5.366 -1.579 320 2HG LYS 41 1HG LYS 41 -5.834 4.055 -2.625 321 1HD LYS 41 2HD LYS 41 -7.908 2.984 -2.566 322 2HD LYS 41 1HD LYS 41 -8.434 3.879 -1.140 323 1HE LYS 41 2HE LYS 41 -9.417 5.366 -2.462 324 2HE LYS 41 1HE LYS 41 -7.844 5.785 -3.137 325 1HZ LYS 41 1HZ LYS 41 -9.289 3.428 -4.146 326 2HZ LYS 41 2HZ LYS 41 -8.143 4.395 -4.928 327 3HZ LYS 41 3HZ LYS 41 -9.716 4.972 -4.692 328 H ARG 42 H ARG 42 -7.270 1.464 -0.028 329 HA ARG 42 HA ARG 42 -7.412 0.349 2.668 330 1HB ARG 42 2HB ARG 42 -8.076 -0.990 0.041 331 2HB ARG 42 1HB ARG 42 -8.503 -1.551 1.661 332 1HG ARG 42 2HG ARG 42 -9.877 0.501 1.941 333 2HG ARG 42 1HG ARG 42 -9.538 0.907 0.258 334 1HD ARG 42 2HD ARG 42 -10.537 -1.819 0.701 335 2HD ARG 42 1HD ARG 42 -11.675 -0.535 1.099 336 HE ARG 42 HE ARG 42 -10.356 -0.702 -1.530 337 1HH1 ARG 42 1HH1 ARG 42 -13.243 -0.332 0.415 338 2HH1 ARG 42 2HH1 ARG 42 -14.261 -0.015 -0.947 339 1HH2 ARG 42 1HH2 ARG 42 -11.706 -0.286 -3.310 340 2HH2 ARG 42 2HH2 ARG 42 -13.393 0.010 -3.056 341 H ASN 43 H ASN 43 -5.561 0.023 -0.313 342 HA ASN 43 HA ASN 43 -3.965 -2.104 0.874 343 1HB ASN 43 2HB ASN 43 -4.804 -1.942 -1.629 344 2HB ASN 43 1HB ASN 43 -3.362 -0.953 -1.819 345 1HD2 ASN 43 1HD2 ASN 43 -4.602 -4.113 -1.194 346 2HD2 ASN 43 2HD2 ASN 43 -3.113 -4.967 -1.380 347 H ASN 44 H ASN 44 -3.478 -0.276 2.462 348 HA ASN 44 HA ASN 44 -0.875 0.867 1.714 349 1HB ASN 44 2HB ASN 44 -3.046 2.379 3.188 350 2HB ASN 44 1HB ASN 44 -1.414 2.960 2.888 351 1HD2 ASN 44 1HD2 ASN 44 -2.825 4.731 2.018 352 2HD2 ASN 44 2HD2 ASN 44 -3.232 4.645 0.333 353 H PHE 45 H PHE 45 0.470 -0.245 3.035 354 HA PHE 45 HA PHE 45 -0.322 -0.545 5.860 355 1HB PHE 45 2HB PHE 45 1.831 -2.138 4.467 356 2HB PHE 45 1HB PHE 45 1.044 -2.484 6.004 357 HD1 PHE 45 1HD PHE 45 0.960 -3.004 2.465 358 HD2 PHE 45 2HD PHE 45 -1.403 -3.063 6.001 359 HE1 PHE 45 1HE PHE 45 -0.727 -4.378 1.311 360 HE2 PHE 45 2HE PHE 45 -3.092 -4.432 4.856 361 HZ PHE 45 HZ PHE 45 -2.757 -5.093 2.507 362 H LYS 46 H LYS 46 1.448 -0.429 7.430 363 HA LYS 46 HA LYS 46 3.108 1.875 6.866 364 1HB LYS 46 2HB LYS 46 2.096 0.491 9.246 365 2HB LYS 46 1HB LYS 46 3.754 1.054 9.413 366 1HG LYS 46 2HG LYS 46 2.046 3.065 8.233 367 2HG LYS 46 1HG LYS 46 1.451 2.529 9.805 368 1HD LYS 46 2HD LYS 46 3.193 3.441 10.918 369 2HD LYS 46 1HD LYS 46 4.350 3.019 9.654 370 1HE LYS 46 2HE LYS 46 4.262 5.372 9.668 371 2HE LYS 46 1HE LYS 46 3.303 4.870 8.276 372 1HZ LYS 46 1HZ LYS 46 2.142 5.540 10.922 373 2HZ LYS 46 2HZ LYS 46 1.303 5.261 9.481 374 3HZ LYS 46 3HZ LYS 46 2.268 6.641 9.644 375 H SER 47 H SER 47 3.437 -1.540 6.929 376 HA SER 47 HA SER 47 6.258 -1.280 6.328 377 1HB SER 47 2HB SER 47 6.358 -3.384 8.109 378 2HB SER 47 1HB SER 47 6.908 -1.740 8.422 379 HG SER 47 HG SER 47 4.908 -3.067 9.577 380 H ALA 48 H ALA 48 7.210 -3.186 5.453 381 HA ALA 48 HA ALA 48 5.629 -4.545 3.613 382 1HB ALA 48 1HB ALA 48 8.332 -5.239 4.752 383 2HB ALA 48 2HB ALA 48 7.981 -4.378 3.253 384 3HB ALA 48 3HB ALA 48 7.589 -6.092 3.399 385 H GLU 49 H GLU 49 6.337 -5.238 6.948 386 HA GLU 49 HA GLU 49 5.570 -7.977 6.918 387 1HB GLU 49 2HB GLU 49 6.901 -6.554 8.708 388 2HB GLU 49 1HB GLU 49 5.296 -6.305 9.379 389 1HG GLU 49 2HG GLU 49 5.744 -9.085 8.758 390 2HG GLU 49 1HG GLU 49 6.993 -8.455 9.832 391 H ASP 50 H ASP 50 3.878 -4.961 7.737 392 HA ASP 50 HA ASP 50 1.437 -6.105 8.510 393 1HB ASP 50 2HB ASP 50 2.184 -3.430 7.348 394 2HB ASP 50 1HB ASP 50 0.493 -3.847 7.616 395 H CYS 51 H CYS 51 2.778 -5.249 5.380 396 HA CYS 51 HA CYS 51 0.520 -5.641 3.764 397 1HB CYS 51 2HB CYS 51 3.013 -4.819 3.287 398 2HB CYS 51 1HB CYS 51 3.223 -6.498 2.815 399 H LEU 52 H LEU 52 3.250 -7.891 4.192 400 HA LEU 52 HA LEU 52 2.003 -10.124 3.076 401 1HB LEU 52 2HB LEU 52 4.066 -10.086 5.287 402 2HB LEU 52 1HB LEU 52 3.669 -11.469 4.287 403 HG LEU 52 HG LEU 52 4.605 -8.973 2.947 404 1HD1 LEU 52 1HD1 LEU 52 6.215 -10.705 4.737 405 2HD1 LEU 52 2HD1 LEU 52 6.380 -8.989 4.368 406 3HD1 LEU 52 3HD1 LEU 52 6.941 -10.196 3.212 407 1HD2 LEU 52 1HD2 LEU 52 4.199 -10.472 1.308 408 2HD2 LEU 52 2HD2 LEU 52 4.391 -11.860 2.378 409 3HD2 LEU 52 3HD2 LEU 52 5.814 -11.042 1.732 410 H ARG 53 H ARG 53 1.728 -8.711 6.241 411 HA ARG 53 HA ARG 53 0.471 -10.967 7.468 412 1HB ARG 53 2HB ARG 53 1.651 -9.242 8.776 413 2HB ARG 53 1HB ARG 53 0.453 -8.054 8.283 414 1HG ARG 53 2HG ARG 53 -0.892 -10.294 9.421 415 2HG ARG 53 1HG ARG 53 0.396 -9.780 10.512 416 1HD ARG 53 2HD ARG 53 -1.217 -8.360 11.233 417 2HD ARG 53 1HD ARG 53 -0.609 -7.385 9.896 418 HE ARG 53 HE ARG 53 -2.611 -7.677 8.835 419 1HH1 ARG 53 1HH1 ARG 53 -2.310 -10.109 11.319 420 2HH1 ARG 53 2HH1 ARG 53 -3.925 -10.697 11.114 421 1HH2 ARG 53 1HH2 ARG 53 -4.736 -8.448 8.564 422 2HH2 ARG 53 2HH2 ARG 53 -5.303 -9.755 9.550 423 H THR 54 H THR 54 -0.575 -8.297 5.503 424 HA THR 54 HA THR 54 -3.371 -8.670 6.206 425 HB THR 54 HB THR 54 -2.110 -6.844 4.153 426 HG1 THR 54 1HG THR 54 -3.055 -6.271 6.764 427 1HG2 THR 54 1HG2 THR 54 -4.788 -6.447 5.412 428 2HG2 THR 54 2HG2 THR 54 -4.609 -7.441 3.965 429 3HG2 THR 54 3HG2 THR 54 -4.128 -5.746 3.934 430 H CYS 55 H CYS 55 -1.414 -8.942 3.192 431 HA CYS 55 HA CYS 55 -3.586 -10.627 2.134 432 1HB CYS 55 2HB CYS 55 -3.222 -8.643 0.805 433 2HB CYS 55 1HB CYS 55 -1.500 -8.997 0.683 434 H GLY 56 H GLY 56 -0.415 -10.811 3.309 435 1HA GLY 56 2HA GLY 56 0.518 -12.897 1.567 436 2HA GLY 56 1HA GLY 56 1.264 -12.401 3.078 437 H GLY 57 H GLY 57 -0.004 -13.074 5.088 438 1HA GLY 57 2HA GLY 57 -1.179 -14.666 6.309 439 2HA GLY 57 1HA GLY 57 -1.644 -15.441 4.802 440 H ALA 58 H ALA 58 0.806 -15.202 7.280 441 HA ALA 58 HA ALA 58 1.756 -17.863 6.543 442 1HB ALA 58 1HB ALA 58 3.736 -17.213 5.787 443 2HB ALA 58 2HB ALA 58 4.049 -16.335 7.284 444 3HB ALA 58 3HB ALA 58 3.231 -15.531 5.944 Start of MODEL 8 1 1H ARG 1 1HT ARG 1 -6.457 -15.379 -2.567 2 2H ARG 1 2HT ARG 1 -5.213 -15.986 -1.556 3 3H ARG 1 3HT ARG 1 -4.840 -15.424 -3.134 4 HA ARG 1 HA ARG 1 -4.917 -14.027 -0.725 5 1HB ARG 1 2HB ARG 1 -3.912 -12.293 -2.129 6 2HB ARG 1 1HB ARG 1 -3.218 -13.868 -2.487 7 1HG ARG 1 2HG ARG 1 -5.083 -13.890 -4.348 8 2HG ARG 1 1HG ARG 1 -4.973 -12.140 -4.150 9 1HD ARG 1 2HD ARG 1 -2.884 -12.034 -5.022 10 2HD ARG 1 1HD ARG 1 -2.420 -13.610 -4.386 11 HE ARG 1 HE ARG 1 -3.612 -13.046 -6.952 12 1HH1 ARG 1 1HH1 ARG 1 -2.991 -15.483 -4.531 13 2HH1 ARG 1 2HH1 ARG 1 -3.137 -16.802 -5.642 14 1HH2 ARG 1 1HH2 ARG 1 -3.804 -14.781 -8.414 15 2HH2 ARG 1 2HH2 ARG 1 -3.599 -16.405 -7.846 16 HA PRO 2 HA PRO 2 -8.822 -11.970 -0.586 17 1HB PRO 2 2HB PRO 2 -7.233 -9.571 0.123 18 2HB PRO 2 1HB PRO 2 -8.606 -10.298 0.968 19 1HG PRO 2 2HG PRO 2 -6.115 -10.558 1.882 20 2HG PRO 2 1HG PRO 2 -7.285 -11.888 2.000 21 1HD PRO 2 2HD PRO 2 -4.970 -11.565 0.153 22 2HD PRO 2 1HD PRO 2 -5.663 -13.040 0.852 23 H ASP 3 H ASP 3 -10.068 -10.694 -1.877 24 HA ASP 3 HA ASP 3 -9.220 -10.045 -4.441 25 1HB ASP 3 2HB ASP 3 -11.344 -8.650 -4.520 26 2HB ASP 3 1HB ASP 3 -11.545 -10.344 -4.077 27 H PHE 4 H PHE 4 -9.705 -7.867 -1.658 28 HA PHE 4 HA PHE 4 -9.175 -5.468 -2.868 29 1HB PHE 4 2HB PHE 4 -8.718 -4.618 -0.679 30 2HB PHE 4 1HB PHE 4 -9.987 -5.817 -0.544 31 HD1 PHE 4 1HD PHE 4 -6.316 -5.382 -0.151 32 HD2 PHE 4 2HD PHE 4 -9.804 -7.540 0.979 33 HE1 PHE 4 1HE PHE 4 -5.023 -6.559 1.583 34 HE2 PHE 4 2HE PHE 4 -8.519 -8.722 2.710 35 HZ PHE 4 HZ PHE 4 -6.127 -8.242 3.007 36 H CYS 5 H CYS 5 -6.920 -8.022 -2.164 37 HA CYS 5 HA CYS 5 -4.542 -6.579 -1.965 38 1HB CYS 5 2HB CYS 5 -5.103 -9.303 -3.133 39 2HB CYS 5 1HB CYS 5 -3.477 -8.643 -3.018 40 H LEU 6 H LEU 6 -6.624 -7.073 -4.663 41 HA LEU 6 HA LEU 6 -4.604 -6.190 -6.577 42 1HB LEU 6 2HB LEU 6 -7.497 -6.826 -7.134 43 2HB LEU 6 1HB LEU 6 -6.180 -6.730 -8.288 44 HG LEU 6 HG LEU 6 -5.949 -8.767 -6.140 45 1HD1 LEU 6 1HD1 LEU 6 -7.746 -9.953 -6.663 46 2HD1 LEU 6 2HD1 LEU 6 -7.350 -9.883 -8.380 47 3HD1 LEU 6 3HD1 LEU 6 -8.306 -8.598 -7.644 48 1HD2 LEU 6 1HD2 LEU 6 -4.982 -8.283 -8.883 49 2HD2 LEU 6 2HD2 LEU 6 -5.295 -9.965 -8.453 50 3HD2 LEU 6 3HD2 LEU 6 -4.161 -9.006 -7.499 51 H GLU 7 H GLU 7 -5.482 -4.368 -4.509 52 HA GLU 7 HA GLU 7 -7.032 -2.407 -6.051 53 1HB GLU 7 2HB GLU 7 -7.770 -3.127 -3.725 54 2HB GLU 7 1HB GLU 7 -6.367 -2.257 -3.116 55 1HG GLU 7 2HG GLU 7 -7.594 -0.431 -4.779 56 2HG GLU 7 1HG GLU 7 -8.939 -1.260 -3.996 57 HA PRO 8 HA PRO 8 -3.080 -0.421 -6.939 58 1HB PRO 8 2HB PRO 8 -4.958 1.812 -7.545 59 2HB PRO 8 1HB PRO 8 -3.624 1.170 -8.509 60 1HG PRO 8 2HG PRO 8 -6.152 0.608 -9.135 61 2HG PRO 8 1HG PRO 8 -4.875 -0.612 -9.300 62 1HD PRO 8 2HD PRO 8 -7.003 -0.358 -7.229 63 2HD PRO 8 1HD PRO 8 -6.270 -1.818 -7.928 64 HA PRO 9 HA PRO 9 -2.447 2.007 -3.294 65 1HB PRO 9 2HB PRO 9 -0.213 3.332 -3.984 66 2HB PRO 9 1HB PRO 9 -0.211 1.592 -3.683 67 1HG PRO 9 2HG PRO 9 -0.272 3.074 -6.286 68 2HG PRO 9 1HG PRO 9 0.678 1.641 -5.832 69 1HD PRO 9 2HD PRO 9 -1.629 1.518 -7.281 70 2HD PRO 9 1HD PRO 9 -1.073 0.209 -6.220 71 H TYR 10 H TYR 10 -3.120 3.934 -2.488 72 HA TYR 10 HA TYR 10 -3.734 6.088 -4.409 73 1HB TYR 10 2HB TYR 10 -5.529 4.950 -2.832 74 2HB TYR 10 1HB TYR 10 -4.863 6.060 -1.636 75 HD1 TYR 10 1HD TYR 10 -5.816 8.158 -1.454 76 HD2 TYR 10 2HD TYR 10 -6.118 6.085 -5.155 77 HE1 TYR 10 1HE TYR 10 -7.224 9.968 -2.345 78 HE2 TYR 10 2HE TYR 10 -7.524 7.888 -6.058 79 HH TYR 10 HH TYR 10 -8.930 9.675 -5.320 80 H THR 11 H THR 11 -2.852 8.067 -4.167 81 HA THR 11 HA THR 11 -1.018 8.462 -1.885 82 HB THR 11 HB THR 11 -0.845 9.496 -4.724 83 HG1 THR 11 1HG THR 11 0.818 7.706 -3.285 84 1HG2 THR 11 1HG2 THR 11 0.126 11.214 -3.462 85 2HG2 THR 11 2HG2 THR 11 1.472 10.212 -4.005 86 3HG2 THR 11 3HG2 THR 11 0.886 10.080 -2.345 87 H GLY 12 H GLY 12 -3.871 9.589 -3.312 88 1HA GLY 12 2HA GLY 12 -5.192 11.403 -2.995 89 2HA GLY 12 1HA GLY 12 -4.357 11.535 -1.459 90 HA PRO 13 HA PRO 13 -3.162 15.080 -4.333 91 1HB PRO 13 2HB PRO 13 -4.848 17.031 -3.647 92 2HB PRO 13 1HB PRO 13 -5.323 15.766 -4.788 93 1HG PRO 13 2HG PRO 13 -5.981 16.044 -1.883 94 2HG PRO 13 1HG PRO 13 -7.023 15.535 -3.223 95 1HD PRO 13 2HD PRO 13 -5.764 13.817 -1.466 96 2HD PRO 13 1HD PRO 13 -6.327 13.368 -3.089 97 H CYS 14 H CYS 14 -3.116 14.435 -1.080 98 HA CYS 14 HA CYS 14 -2.452 16.886 0.104 99 1HB CYS 14 2HB CYS 14 -1.941 14.030 0.787 100 2HB CYS 14 1HB CYS 14 -1.028 15.273 1.642 101 H ARG 15 H ARG 15 -0.186 17.133 1.150 102 HA ARG 15 HA ARG 15 1.786 16.978 -1.034 103 1HB ARG 15 2HB ARG 15 0.757 19.238 0.415 104 2HB ARG 15 1HB ARG 15 2.491 19.110 0.668 105 1HG ARG 15 2HG ARG 15 2.066 18.693 -2.078 106 2HG ARG 15 1HG ARG 15 1.057 20.064 -1.613 107 1HD ARG 15 2HD ARG 15 3.364 20.641 -0.306 108 2HD ARG 15 1HD ARG 15 3.983 19.821 -1.738 109 HE ARG 15 HE ARG 15 2.066 21.730 -2.509 110 1HH1 ARG 15 1HH1 ARG 15 5.303 21.528 -1.227 111 2HH1 ARG 15 2HH1 ARG 15 5.811 23.029 -1.926 112 1HH2 ARG 15 1HH2 ARG 15 2.731 23.709 -3.430 113 2HH2 ARG 15 2HH2 ARG 15 4.351 24.267 -3.175 114 H VAL 16 H VAL 16 1.555 14.966 1.008 115 HA VAL 16 HA VAL 16 3.916 15.496 2.678 116 HB VAL 16 HB VAL 16 2.410 12.953 3.015 117 1HG1 VAL 16 1HG1 VAL 16 3.910 12.933 4.666 118 2HG1 VAL 16 2HG1 VAL 16 2.857 14.092 5.475 119 3HG1 VAL 16 3HG1 VAL 16 4.225 14.662 4.519 120 1HG2 VAL 16 1HG2 VAL 16 0.763 14.999 2.820 121 2HG2 VAL 16 2HG2 VAL 16 1.339 15.337 4.453 122 3HG2 VAL 16 3HG2 VAL 16 0.564 13.792 4.090 123 H ARG 17 H ARG 17 5.175 13.304 3.107 124 HA ARG 17 HA ARG 17 5.599 11.879 0.574 125 1HB ARG 17 2HB ARG 17 7.539 13.543 2.080 126 2HB ARG 17 1HB ARG 17 8.135 11.997 1.492 127 1HG ARG 17 2HG ARG 17 6.657 13.449 -0.538 128 2HG ARG 17 1HG ARG 17 8.037 14.358 0.079 129 1HD ARG 17 2HD ARG 17 8.092 11.554 -1.026 130 2HD ARG 17 1HD ARG 17 8.688 13.003 -1.831 131 HE ARG 17 HE ARG 17 10.333 13.156 0.031 132 1HH1 ARG 17 1HH1 ARG 17 8.902 10.061 -0.761 133 2HH1 ARG 17 2HH1 ARG 17 10.235 9.154 -0.132 134 1HH2 ARG 17 1HH2 ARG 17 12.074 11.952 0.847 135 2HH2 ARG 17 2HH2 ARG 17 12.028 10.222 0.776 136 H ILE 18 H ILE 18 4.525 10.103 1.488 137 HA ILE 18 HA ILE 18 5.948 8.784 3.706 138 HB ILE 18 HB ILE 18 3.025 8.625 2.961 139 1HG1 ILE 18 2HG1 ILE 18 4.480 9.755 5.359 140 2HG1 ILE 18 1HG1 ILE 18 3.521 10.641 4.182 141 1HG2 ILE 18 1HG2 ILE 18 4.375 6.515 3.916 142 2HG2 ILE 18 2HG2 ILE 18 2.694 6.854 4.318 143 3HG2 ILE 18 3HG2 ILE 18 3.981 7.323 5.432 144 1HD1 ILE 18 1HD1 ILE 18 2.507 10.145 6.484 145 2HD1 ILE 18 2HD1 ILE 18 2.275 8.510 5.868 146 3HD1 ILE 18 3HD1 ILE 18 1.514 9.875 5.052 147 H ILE 19 H ILE 19 7.164 7.191 2.958 148 HA ILE 19 HA ILE 19 6.687 5.874 0.469 149 HB ILE 19 HB ILE 19 8.602 5.234 2.722 150 1HG1 ILE 19 2HG1 ILE 19 9.057 7.370 1.625 151 2HG1 ILE 19 1HG1 ILE 19 10.305 6.192 1.235 152 1HG2 ILE 19 1HG2 ILE 19 8.972 3.276 1.751 153 2HG2 ILE 19 2HG2 ILE 19 9.544 4.134 0.319 154 3HG2 ILE 19 3HG2 ILE 19 7.849 3.664 0.450 155 1HD1 ILE 19 1HD1 ILE 19 9.880 7.264 -0.776 156 2HD1 ILE 19 2HD1 ILE 19 8.137 7.277 -0.513 157 3HD1 ILE 19 3HD1 ILE 19 8.960 5.766 -0.900 158 H ARG 20 H ARG 20 4.558 5.061 0.779 159 HA ARG 20 HA ARG 20 4.106 3.134 2.887 160 1HB ARG 20 2HB ARG 20 2.414 4.366 0.766 161 2HB ARG 20 1HB ARG 20 1.877 2.869 1.512 162 1HG ARG 20 2HG ARG 20 2.499 5.438 2.949 163 2HG ARG 20 1HG ARG 20 0.890 4.815 2.580 164 1HD ARG 20 2HD ARG 20 1.012 3.170 4.173 165 2HD ARG 20 1HD ARG 20 2.768 3.069 4.090 166 HE ARG 20 HE ARG 20 2.913 4.688 5.699 167 1HH1 ARG 20 1HH1 ARG 20 -0.347 4.604 4.453 168 2HH1 ARG 20 2HH1 ARG 20 -0.964 5.700 5.645 169 1HH2 ARG 20 1HH2 ARG 20 2.106 6.143 7.256 170 2HH2 ARG 20 2HH2 ARG 20 0.431 6.579 7.230 171 H TYR 21 H TYR 21 2.927 1.060 2.230 172 HA TYR 21 HA TYR 21 4.381 -0.199 0.002 173 1HB TYR 21 2HB TYR 21 3.739 -1.219 2.762 174 2HB TYR 21 1HB TYR 21 4.255 -2.284 1.457 175 HD1 TYR 21 1HD TYR 21 6.558 -2.000 0.496 176 HD2 TYR 21 2HD TYR 21 5.293 0.067 3.993 177 HE1 TYR 21 1HE TYR 21 8.906 -1.571 1.088 178 HE2 TYR 21 2HE TYR 21 7.640 0.504 4.589 179 HH TYR 21 HH TYR 21 10.147 -1.085 3.469 180 H PHE 22 H PHE 22 3.240 -1.710 -1.232 181 HA PHE 22 HA PHE 22 0.505 -2.348 -0.477 182 1HB PHE 22 2HB PHE 22 -0.531 -1.630 -2.471 183 2HB PHE 22 1HB PHE 22 0.435 -0.277 -1.923 184 HD1 PHE 22 1HD PHE 22 2.840 -0.116 -2.985 185 HD2 PHE 22 2HD PHE 22 -0.406 -2.307 -4.651 186 HE1 PHE 22 1HE PHE 22 3.930 -0.047 -5.192 187 HE2 PHE 22 2HE PHE 22 0.677 -2.244 -6.859 188 HZ PHE 22 HZ PHE 22 2.851 -1.121 -7.130 189 H TYR 23 H TYR 23 -0.447 -3.939 -2.035 190 HA TYR 23 HA TYR 23 1.630 -5.926 -2.659 191 1HB TYR 23 2HB TYR 23 -0.217 -6.645 -1.202 192 2HB TYR 23 1HB TYR 23 -1.379 -6.249 -2.475 193 HD1 TYR 23 1HD TYR 23 -1.895 -7.822 -4.147 194 HD2 TYR 23 2HD TYR 23 1.508 -8.439 -1.669 195 HE1 TYR 23 1HE TYR 23 -1.618 -10.071 -5.099 196 HE2 TYR 23 2HE TYR 23 1.793 -10.693 -2.609 197 HH TYR 23 HH TYR 23 0.319 -11.719 -5.402 198 H ASN 24 H ASN 24 2.424 -5.433 -4.647 199 HA ASN 24 HA ASN 24 0.764 -4.666 -6.844 200 1HB ASN 24 2HB ASN 24 3.127 -3.960 -6.545 201 2HB ASN 24 1HB ASN 24 3.635 -5.629 -6.821 202 1HD2 ASN 24 1HD2 ASN 24 2.601 -2.692 -8.249 203 2HD2 ASN 24 2HD2 ASN 24 2.730 -3.201 -9.918 204 H ALA 25 H ALA 25 -0.364 -5.990 -8.147 205 HA ALA 25 HA ALA 25 -0.140 -8.852 -7.822 206 1HB ALA 25 1HB ALA 25 -1.917 -7.591 -9.861 207 2HB ALA 25 2HB ALA 25 -2.286 -7.415 -8.145 208 3HB ALA 25 3HB ALA 25 -2.181 -9.023 -8.864 209 H LYS 26 H LYS 26 1.956 -7.144 -9.298 210 HA LYS 26 HA LYS 26 2.024 -8.739 -11.779 211 1HB LYS 26 2HB LYS 26 2.304 -5.952 -11.413 212 2HB LYS 26 1HB LYS 26 3.914 -6.560 -11.772 213 1HG LYS 26 2HG LYS 26 2.325 -7.844 -13.622 214 2HG LYS 26 1HG LYS 26 1.618 -6.231 -13.514 215 1HD LYS 26 2HD LYS 26 3.502 -5.202 -14.317 216 2HD LYS 26 1HD LYS 26 4.578 -6.463 -13.711 217 1HE LYS 26 2HE LYS 26 2.937 -7.720 -15.599 218 2HE LYS 26 1HE LYS 26 3.381 -6.171 -16.316 219 1HZ LYS 26 1HZ LYS 26 5.575 -6.724 -16.384 220 2HZ LYS 26 2HZ LYS 26 4.907 -8.266 -16.566 221 3HZ LYS 26 3HZ LYS 26 5.488 -7.770 -15.057 222 H ALA 27 H ALA 27 3.792 -7.545 -9.001 223 HA ALA 27 HA ALA 27 6.025 -9.350 -9.603 224 1HB ALA 27 1HB ALA 27 7.115 -7.444 -9.094 225 2HB ALA 27 2HB ALA 27 6.856 -7.977 -7.434 226 3HB ALA 27 3HB ALA 27 5.768 -6.795 -8.159 227 H GLY 28 H GLY 28 3.196 -9.178 -7.782 228 1HA GLY 28 2HA GLY 28 2.278 -10.607 -6.283 229 2HA GLY 28 1HA GLY 28 3.691 -11.584 -6.521 230 H LEU 29 H LEU 29 4.833 -8.710 -5.666 231 HA LEU 29 HA LEU 29 4.821 -9.375 -2.800 232 1HB LEU 29 2HB LEU 29 7.093 -8.348 -2.704 233 2HB LEU 29 1HB LEU 29 7.002 -9.839 -3.620 234 HG LEU 29 HG LEU 29 6.614 -7.824 -5.516 235 1HD1 LEU 29 1HD1 LEU 29 7.377 -6.036 -4.267 236 2HD1 LEU 29 2HD1 LEU 29 8.843 -6.573 -5.085 237 3HD1 LEU 29 3HD1 LEU 29 8.563 -7.011 -3.401 238 1HD2 LEU 29 1HD2 LEU 29 8.954 -9.551 -4.762 239 2HD2 LEU 29 2HD2 LEU 29 8.989 -8.479 -6.162 240 3HD2 LEU 29 3HD2 LEU 29 7.798 -9.777 -6.074 241 H CYS 30 H CYS 30 5.648 -7.358 -1.498 242 HA CYS 30 HA CYS 30 3.813 -5.229 -2.182 243 1HB CYS 30 2HB CYS 30 4.990 -6.242 0.270 244 2HB CYS 30 1HB CYS 30 5.092 -4.483 0.174 245 H GLN 31 H GLN 31 4.347 -3.360 -3.063 246 HA GLN 31 HA GLN 31 7.201 -2.640 -3.141 247 1HB GLN 31 2HB GLN 31 5.081 -1.725 -5.075 248 2HB GLN 31 1HB GLN 31 6.812 -1.493 -5.215 249 1HG GLN 31 2HG GLN 31 6.414 -4.262 -4.998 250 2HG GLN 31 1HG GLN 31 5.194 -3.668 -6.124 251 1HE2 GLN 31 1HE2 GLN 31 6.233 -4.753 -7.825 252 2HE2 GLN 31 2HE2 GLN 31 7.681 -4.135 -8.535 253 H THR 32 H THR 32 7.610 -0.279 -3.271 254 HA THR 32 HA THR 32 5.921 1.071 -1.304 255 HB THR 32 HB THR 32 7.864 2.594 -1.031 256 HG1 THR 32 1HG THR 32 9.745 2.157 -2.086 257 1HG2 THR 32 1HG2 THR 32 9.509 0.512 -0.480 258 2HG2 THR 32 2HG2 THR 32 7.922 -0.255 -0.453 259 3HG2 THR 32 3HG2 THR 32 8.252 1.127 0.592 260 H PHE 33 H PHE 33 5.513 3.355 -1.469 261 HA PHE 33 HA PHE 33 5.838 4.628 -4.032 262 1HB PHE 33 2HB PHE 33 3.420 5.132 -4.326 263 2HB PHE 33 1HB PHE 33 3.821 3.438 -4.550 264 HD1 PHE 33 1HD PHE 33 3.747 2.213 -2.000 265 HD2 PHE 33 2HD PHE 33 1.358 5.418 -3.450 266 HE1 PHE 33 1HE PHE 33 1.980 1.617 -0.399 267 HE2 PHE 33 2HE PHE 33 -0.413 4.827 -1.852 268 HZ PHE 33 HZ PHE 33 -0.102 2.925 -0.322 269 H VAL 34 H VAL 34 5.008 6.876 -4.003 270 HA VAL 34 HA VAL 34 5.710 8.081 -1.468 271 HB VAL 34 HB VAL 34 5.101 9.452 -4.085 272 1HG1 VAL 34 1HG1 VAL 34 5.701 10.412 -1.446 273 2HG1 VAL 34 2HG1 VAL 34 5.317 11.323 -2.907 274 3HG1 VAL 34 3HG1 VAL 34 6.988 10.877 -2.561 275 1HG2 VAL 34 1HG2 VAL 34 7.186 7.696 -3.608 276 2HG2 VAL 34 2HG2 VAL 34 7.904 9.285 -3.341 277 3HG2 VAL 34 3HG2 VAL 34 7.118 8.919 -4.878 278 H TYR 35 H TYR 35 3.698 7.330 -0.474 279 HA TYR 35 HA TYR 35 1.168 8.405 -1.229 280 1HB TYR 35 2HB TYR 35 1.197 6.386 0.049 281 2HB TYR 35 1HB TYR 35 2.191 7.114 1.306 282 HD1 TYR 35 1HD TYR 35 -0.740 8.719 -0.179 283 HD2 TYR 35 2HD TYR 35 0.791 6.634 3.127 284 HE1 TYR 35 1HE TYR 35 -2.759 9.301 1.092 285 HE2 TYR 35 2HE TYR 35 -1.218 7.180 4.427 286 HH TYR 35 HH TYR 35 -4.005 8.529 2.987 287 H GLY 36 H GLY 36 0.098 10.276 -0.507 288 1HA GLY 36 2HA GLY 36 1.804 12.134 0.988 289 2HA GLY 36 1HA GLY 36 0.535 12.613 -0.117 290 H GLY 37 H GLY 37 -0.152 10.126 2.242 291 1HA GLY 37 2HA GLY 37 -1.502 10.136 4.089 292 2HA GLY 37 1HA GLY 37 -0.901 11.742 4.372 293 H CYS 38 H CYS 38 -2.618 11.080 1.447 294 HA CYS 38 HA CYS 38 -4.970 12.454 2.577 295 1HB CYS 38 2HB CYS 38 -3.396 13.076 0.256 296 2HB CYS 38 1HB CYS 38 -5.053 12.732 -0.216 297 H ARG 39 H ARG 39 -6.779 11.342 2.630 298 HA ARG 39 HA ARG 39 -8.219 9.583 2.435 299 1HB ARG 39 2HB ARG 39 -8.562 11.167 0.408 300 2HB ARG 39 1HB ARG 39 -7.863 9.854 -0.530 301 1HG ARG 39 2HG ARG 39 -10.316 9.815 -0.527 302 2HG ARG 39 1HG ARG 39 -9.622 8.358 0.187 303 1HD ARG 39 2HD ARG 39 -10.262 10.614 2.007 304 2HD ARG 39 1HD ARG 39 -11.614 9.705 1.333 305 HE ARG 39 HE ARG 39 -9.544 8.070 2.495 306 1HH1 ARG 39 1HH1 ARG 39 -12.509 9.818 3.093 307 2HH1 ARG 39 2HH1 ARG 39 -12.919 8.887 4.493 308 1HH2 ARG 39 1HH2 ARG 39 -10.083 6.853 4.345 309 2HH2 ARG 39 2HH2 ARG 39 -11.544 7.208 5.204 310 H ALA 40 H ALA 40 -6.107 8.368 3.155 311 HA ALA 40 HA ALA 40 -4.779 6.628 1.420 312 1HB ALA 40 1HB ALA 40 -4.994 5.261 3.843 313 2HB ALA 40 2HB ALA 40 -5.024 6.975 4.263 314 3HB ALA 40 3HB ALA 40 -3.684 6.321 3.320 315 H LYS 41 H LYS 41 -5.090 4.415 0.917 316 HA LYS 41 HA LYS 41 -7.908 3.601 1.008 317 1HB LYS 41 2HB LYS 41 -5.824 3.436 -1.011 318 2HB LYS 41 1HB LYS 41 -6.609 1.885 -0.750 319 1HG LYS 41 2HG LYS 41 -7.756 3.019 -2.503 320 2HG LYS 41 1HG LYS 41 -8.802 3.010 -1.081 321 1HD LYS 41 2HD LYS 41 -7.016 5.338 -1.323 322 2HD LYS 41 1HD LYS 41 -8.266 5.206 -2.562 323 1HE LYS 41 2HE LYS 41 -9.483 4.622 -0.081 324 2HE LYS 41 1HE LYS 41 -8.504 6.070 0.153 325 1HZ LYS 41 1HZ LYS 41 -10.832 6.472 -0.605 326 2HZ LYS 41 2HZ LYS 41 -10.432 5.746 -2.078 327 3HZ LYS 41 3HZ LYS 41 -9.647 7.164 -1.594 328 H ARG 42 H ARG 42 -7.720 0.924 0.498 329 HA ARG 42 HA ARG 42 -7.065 -0.103 3.097 330 1HB ARG 42 2HB ARG 42 -7.989 -1.577 0.615 331 2HB ARG 42 1HB ARG 42 -7.961 -2.226 2.258 332 1HG ARG 42 2HG ARG 42 -9.440 0.006 2.630 333 2HG ARG 42 1HG ARG 42 -9.878 -0.404 0.970 334 1HD ARG 42 2HD ARG 42 -9.911 -2.435 3.185 335 2HD ARG 42 1HD ARG 42 -11.298 -1.403 2.841 336 HE ARG 42 HE ARG 42 -10.379 -2.723 0.498 337 1HH1 ARG 42 1HH1 ARG 42 -12.224 -3.211 3.421 338 2HH1 ARG 42 2HH1 ARG 42 -13.161 -4.510 2.761 339 1HH2 ARG 42 1HH2 ARG 42 -11.610 -4.430 -0.369 340 2HH2 ARG 42 2HH2 ARG 42 -12.810 -5.203 0.611 341 H ASN 43 H ASN 43 -5.644 -0.326 -0.130 342 HA ASN 43 HA ASN 43 -3.662 -2.220 0.823 343 1HB ASN 43 2HB ASN 43 -4.840 -2.092 -1.567 344 2HB ASN 43 1HB ASN 43 -3.468 -1.042 -1.904 345 1HD2 ASN 43 1HD2 ASN 43 -3.673 -3.284 -3.331 346 2HD2 ASN 43 2HD2 ASN 43 -2.496 -4.448 -2.839 347 H ASN 44 H ASN 44 -3.108 -0.377 2.363 348 HA ASN 44 HA ASN 44 -0.705 0.911 1.311 349 1HB ASN 44 2HB ASN 44 -2.837 2.404 2.859 350 2HB ASN 44 1HB ASN 44 -1.267 3.052 2.396 351 1HD2 ASN 44 1HD2 ASN 44 -1.407 4.387 0.765 352 2HD2 ASN 44 2HD2 ASN 44 -2.489 4.248 -0.585 353 H PHE 45 H PHE 45 0.463 -0.617 2.550 354 HA PHE 45 HA PHE 45 0.068 -0.610 5.446 355 1HB PHE 45 2HB PHE 45 2.205 -2.168 4.020 356 2HB PHE 45 1HB PHE 45 1.375 -2.549 5.524 357 HD1 PHE 45 1HD PHE 45 1.635 -3.358 2.147 358 HD2 PHE 45 2HD PHE 45 -1.232 -2.892 5.250 359 HE1 PHE 45 1HE PHE 45 0.067 -4.784 0.901 360 HE2 PHE 45 2HE PHE 45 -2.807 -4.313 4.011 361 HZ PHE 45 HZ PHE 45 -2.161 -5.266 1.833 362 H LYS 46 H LYS 46 2.018 -0.445 6.827 363 HA LYS 46 HA LYS 46 3.782 1.688 5.825 364 1HB LYS 46 2HB LYS 46 2.867 0.965 8.607 365 2HB LYS 46 1HB LYS 46 4.201 2.071 8.309 366 1HG LYS 46 2HG LYS 46 2.815 3.671 7.336 367 2HG LYS 46 1HG LYS 46 1.509 2.514 7.077 368 1HD LYS 46 2HD LYS 46 0.859 3.889 8.900 369 2HD LYS 46 1HD LYS 46 1.323 2.328 9.579 370 1HE LYS 46 2HE LYS 46 2.927 3.261 10.810 371 2HE LYS 46 1HE LYS 46 3.598 4.093 9.407 372 1HZ LYS 46 1HZ LYS 46 2.527 5.361 11.468 373 2HZ LYS 46 2HZ LYS 46 1.143 5.198 10.510 374 3HZ LYS 46 3HZ LYS 46 2.507 5.988 9.897 375 H SER 47 H SER 47 3.748 -1.592 6.485 376 HA SER 47 HA SER 47 6.626 -1.718 6.371 377 1HB SER 47 2HB SER 47 6.179 -3.486 8.452 378 2HB SER 47 1HB SER 47 6.906 -1.891 8.589 379 HG SER 47 HG SER 47 4.919 -2.516 9.910 380 H ALA 48 H ALA 48 7.433 -3.847 5.970 381 HA ALA 48 HA ALA 48 5.960 -5.324 4.125 382 1HB ALA 48 1HB ALA 48 7.799 -6.656 3.934 383 2HB ALA 48 2HB ALA 48 8.069 -6.731 5.675 384 3HB ALA 48 3HB ALA 48 8.536 -5.290 4.771 385 H GLU 49 H GLU 49 6.105 -5.525 7.606 386 HA GLU 49 HA GLU 49 4.986 -8.129 7.853 387 1HB GLU 49 2HB GLU 49 5.998 -6.158 9.602 388 2HB GLU 49 1HB GLU 49 4.337 -6.441 10.101 389 1HG GLU 49 2HG GLU 49 6.442 -8.564 9.766 390 2HG GLU 49 1HG GLU 49 5.929 -7.860 11.299 391 H ASP 50 H ASP 50 3.589 -4.858 8.053 392 HA ASP 50 HA ASP 50 0.944 -5.601 8.537 393 1HB ASP 50 2HB ASP 50 2.244 -3.232 7.248 394 2HB ASP 50 1HB ASP 50 0.499 -3.422 7.093 395 H CYS 51 H CYS 51 2.811 -5.400 5.572 396 HA CYS 51 HA CYS 51 0.787 -5.825 3.676 397 1HB CYS 51 2HB CYS 51 3.172 -5.272 3.153 398 2HB CYS 51 1HB CYS 51 3.626 -6.897 3.618 399 H LEU 52 H LEU 52 3.139 -8.217 4.753 400 HA LEU 52 HA LEU 52 1.910 -10.499 3.845 401 1HB LEU 52 2HB LEU 52 3.484 -10.175 6.404 402 2HB LEU 52 1HB LEU 52 3.128 -11.710 5.635 403 HG LEU 52 HG LEU 52 4.802 -9.497 4.450 404 1HD1 LEU 52 1HD1 LEU 52 6.030 -12.096 4.884 405 2HD1 LEU 52 2HD1 LEU 52 5.513 -11.318 6.381 406 3HD1 LEU 52 3HD1 LEU 52 6.614 -10.481 5.287 407 1HD2 LEU 52 1HD2 LEU 52 3.568 -11.905 3.318 408 2HD2 LEU 52 2HD2 LEU 52 5.288 -11.719 2.974 409 3HD2 LEU 52 3HD2 LEU 52 4.156 -10.445 2.523 410 H ARG 53 H ARG 53 1.221 -8.689 6.766 411 HA ARG 53 HA ARG 53 -0.525 -10.606 7.916 412 1HB ARG 53 2HB ARG 53 0.593 -8.233 8.752 413 2HB ARG 53 1HB ARG 53 -1.099 -7.799 8.557 414 1HG ARG 53 2HG ARG 53 -0.617 -10.324 9.978 415 2HG ARG 53 1HG ARG 53 -0.041 -8.872 10.798 416 1HD ARG 53 2HD ARG 53 -2.143 -8.037 11.092 417 2HD ARG 53 1HD ARG 53 -2.766 -8.798 9.630 418 HE ARG 53 HE ARG 53 -3.300 -10.669 10.855 419 1HH1 ARG 53 1HH1 ARG 53 -1.296 -8.558 12.785 420 2HH1 ARG 53 2HH1 ARG 53 -1.563 -9.441 14.249 421 1HH2 ARG 53 1HH2 ARG 53 -3.649 -11.828 12.783 422 2HH2 ARG 53 2HH2 ARG 53 -2.896 -11.295 14.249 423 H THR 54 H THR 54 -0.899 -8.076 5.521 424 HA THR 54 HA THR 54 -3.812 -8.355 5.553 425 HB THR 54 HB THR 54 -2.222 -6.609 3.689 426 HG1 THR 54 1HG THR 54 -1.528 -5.765 5.512 427 1HG2 THR 54 1HG2 THR 54 -4.645 -5.503 4.771 428 2HG2 THR 54 2HG2 THR 54 -4.951 -7.047 3.978 429 3HG2 THR 54 3HG2 THR 54 -4.165 -5.744 3.090 430 H CYS 55 H CYS 55 -1.146 -8.680 3.175 431 HA CYS 55 HA CYS 55 -2.960 -10.348 1.566 432 1HB CYS 55 2HB CYS 55 -0.820 -8.389 0.784 433 2HB CYS 55 1HB CYS 55 -1.367 -9.635 -0.334 434 H GLY 56 H GLY 56 -1.101 -11.206 3.744 435 1HA GLY 56 2HA GLY 56 0.568 -13.006 2.091 436 2HA GLY 56 1HA GLY 56 1.126 -12.339 3.618 437 H GLY 57 H GLY 57 1.095 -13.773 5.195 438 1HA GLY 57 2HA GLY 57 -0.579 -16.139 5.012 439 2HA GLY 57 1HA GLY 57 0.657 -15.821 6.220 440 H ALA 58 H ALA 58 -1.781 -16.920 6.909 441 HA ALA 58 HA ALA 58 -3.510 -16.701 8.370 442 1HB ALA 58 1HB ALA 58 -2.151 -16.064 10.092 443 2HB ALA 58 2HB ALA 58 -3.180 -14.636 9.978 444 3HB ALA 58 3HB ALA 58 -1.573 -14.625 9.251 Start of MODEL 9 1 1H ARG 1 1HT ARG 1 -6.146 -14.664 -0.021 2 2H ARG 1 2HT ARG 1 -4.825 -15.102 -1.024 3 3H ARG 1 3HT ARG 1 -6.426 -15.150 -1.640 4 HA ARG 1 HA ARG 1 -4.957 -12.750 -0.777 5 1HB ARG 1 2HB ARG 1 -5.795 -13.718 -3.519 6 2HB ARG 1 1HB ARG 1 -4.935 -12.226 -3.169 7 1HG ARG 1 2HG ARG 1 -3.111 -13.701 -2.178 8 2HG ARG 1 1HG ARG 1 -3.936 -15.045 -2.972 9 1HD ARG 1 2HD ARG 1 -3.455 -14.266 -5.088 10 2HD ARG 1 1HD ARG 1 -3.282 -12.598 -4.546 11 HE ARG 1 HE ARG 1 -1.065 -12.993 -4.219 12 1HH1 ARG 1 1HH1 ARG 1 -2.723 -16.067 -4.245 13 2HH1 ARG 1 2HH1 ARG 1 -1.264 -16.993 -4.147 14 1HH2 ARG 1 1HH2 ARG 1 0.851 -14.213 -4.096 15 2HH2 ARG 1 2HH2 ARG 1 0.764 -15.944 -4.063 16 HA PRO 2 HA PRO 2 -9.328 -11.638 -0.141 17 1HB PRO 2 2HB PRO 2 -8.087 -9.100 0.700 18 2HB PRO 2 1HB PRO 2 -9.231 -10.130 1.566 19 1HG PRO 2 2HG PRO 2 -6.642 -9.959 2.270 20 2HG PRO 2 1HG PRO 2 -7.570 -11.466 2.433 21 1HD PRO 2 2HD PRO 2 -5.532 -10.707 0.390 22 2HD PRO 2 1HD PRO 2 -5.870 -12.292 1.116 23 H ASP 3 H ASP 3 -10.720 -10.179 -1.177 24 HA ASP 3 HA ASP 3 -10.205 -9.529 -3.787 25 1HB ASP 3 2HB ASP 3 -12.327 -9.129 -1.951 26 2HB ASP 3 1HB ASP 3 -12.041 -7.588 -2.752 27 H PHE 4 H PHE 4 -10.263 -7.153 -1.115 28 HA PHE 4 HA PHE 4 -9.474 -4.939 -2.516 29 1HB PHE 4 2HB PHE 4 -8.858 -3.991 -0.398 30 2HB PHE 4 1HB PHE 4 -10.279 -4.991 -0.170 31 HD1 PHE 4 1HD PHE 4 -10.307 -6.597 1.485 32 HD2 PHE 4 2HD PHE 4 -6.578 -5.061 0.135 33 HE1 PHE 4 1HE PHE 4 -9.157 -7.829 3.275 34 HE2 PHE 4 2HE PHE 4 -5.422 -6.290 1.917 35 HZ PHE 4 HZ PHE 4 -6.707 -7.686 3.491 36 H CYS 5 H CYS 5 -7.487 -7.639 -1.528 37 HA CYS 5 HA CYS 5 -4.968 -6.427 -1.521 38 1HB CYS 5 2HB CYS 5 -5.239 -8.720 -0.781 39 2HB CYS 5 1HB CYS 5 -5.739 -9.220 -2.395 40 H LEU 6 H LEU 6 -7.129 -7.030 -4.130 41 HA LEU 6 HA LEU 6 -5.061 -6.708 -6.158 42 1HB LEU 6 2HB LEU 6 -8.012 -6.856 -6.688 43 2HB LEU 6 1HB LEU 6 -6.688 -7.300 -7.747 44 HG LEU 6 HG LEU 6 -7.328 -8.813 -5.223 45 1HD1 LEU 6 1HD1 LEU 6 -8.188 -10.464 -7.127 46 2HD1 LEU 6 2HD1 LEU 6 -8.569 -8.929 -7.906 47 3HD1 LEU 6 3HD1 LEU 6 -9.247 -9.306 -6.322 48 1HD2 LEU 6 1HD2 LEU 6 -6.168 -10.555 -6.922 49 2HD2 LEU 6 2HD2 LEU 6 -5.275 -9.592 -5.745 50 3HD2 LEU 6 3HD2 LEU 6 -5.382 -9.057 -7.422 51 H GLU 7 H GLU 7 -5.739 -4.514 -4.287 52 HA GLU 7 HA GLU 7 -6.857 -2.543 -6.157 53 1HB GLU 7 2HB GLU 7 -7.939 -2.799 -3.913 54 2HB GLU 7 1HB GLU 7 -6.434 -2.259 -3.176 55 1HG GLU 7 2HG GLU 7 -6.818 -0.230 -4.857 56 2HG GLU 7 1HG GLU 7 -8.496 -0.726 -4.639 57 HA PRO 8 HA PRO 8 -2.717 -0.976 -6.740 58 1HB PRO 8 2HB PRO 8 -3.409 1.441 -7.816 59 2HB PRO 8 1HB PRO 8 -3.402 -0.072 -8.728 60 1HG PRO 8 2HG PRO 8 -5.698 1.364 -7.457 61 2HG PRO 8 1HG PRO 8 -5.612 0.571 -9.041 62 1HD PRO 8 2HD PRO 8 -6.792 -0.595 -6.918 63 2HD PRO 8 1HD PRO 8 -5.909 -1.538 -8.139 64 HA PRO 9 HA PRO 9 -1.873 1.685 -3.311 65 1HB PRO 9 2HB PRO 9 0.254 3.110 -4.184 66 2HB PRO 9 1HB PRO 9 0.360 1.389 -3.797 67 1HG PRO 9 2HG PRO 9 0.041 2.708 -6.473 68 2HG PRO 9 1HG PRO 9 1.131 1.386 -6.001 69 1HD PRO 9 2HD PRO 9 -1.199 0.941 -7.294 70 2HD PRO 9 1HD PRO 9 -0.545 -0.199 -6.094 71 H TYR 10 H TYR 10 -2.426 3.672 -2.506 72 HA TYR 10 HA TYR 10 -3.251 5.733 -4.459 73 1HB TYR 10 2HB TYR 10 -5.111 4.517 -3.232 74 2HB TYR 10 1HB TYR 10 -4.524 5.276 -1.756 75 HD1 TYR 10 1HD TYR 10 -5.310 7.379 -1.149 76 HD2 TYR 10 2HD TYR 10 -5.732 6.105 -5.185 77 HE1 TYR 10 1HE TYR 10 -6.639 9.390 -1.639 78 HE2 TYR 10 2HE TYR 10 -7.065 8.108 -5.686 79 HH TYR 10 HH TYR 10 -7.745 10.115 -4.919 80 H THR 11 H THR 11 -2.090 7.519 -4.335 81 HA THR 11 HA THR 11 -0.562 8.117 -1.899 82 HB THR 11 HB THR 11 -0.392 9.222 -4.712 83 HG1 THR 11 1HG THR 11 1.234 7.864 -4.972 84 1HG2 THR 11 1HG2 THR 11 0.431 10.971 -3.407 85 2HG2 THR 11 2HG2 THR 11 1.859 10.059 -3.893 86 3HG2 THR 11 3HG2 THR 11 1.205 9.873 -2.265 87 H GLY 12 H GLY 12 -3.456 9.082 -3.373 88 1HA GLY 12 2HA GLY 12 -4.920 10.764 -2.976 89 2HA GLY 12 1HA GLY 12 -4.015 11.021 -1.500 90 HA PRO 13 HA PRO 13 -3.342 14.508 -4.664 91 1HB PRO 13 2HB PRO 13 -5.237 16.192 -3.252 92 2HB PRO 13 1HB PRO 13 -5.244 15.694 -4.945 93 1HG PRO 13 2HG PRO 13 -7.076 14.834 -3.120 94 2HG PRO 13 1HG PRO 13 -6.597 13.895 -4.544 95 1HD PRO 13 2HD PRO 13 -5.714 13.609 -1.696 96 2HD PRO 13 1HD PRO 13 -6.100 12.349 -2.894 97 H CYS 14 H CYS 14 -3.268 14.102 -1.285 98 HA CYS 14 HA CYS 14 -2.423 16.581 -0.352 99 1HB CYS 14 2HB CYS 14 -1.952 13.766 0.546 100 2HB CYS 14 1HB CYS 14 -1.085 15.087 1.329 101 H ARG 15 H ARG 15 -0.142 16.879 0.596 102 HA ARG 15 HA ARG 15 1.816 16.358 -1.547 103 1HB ARG 15 2HB ARG 15 0.797 18.812 -0.822 104 2HB ARG 15 1HB ARG 15 2.314 18.751 0.063 105 1HG ARG 15 2HG ARG 15 3.083 19.647 -1.865 106 2HG ARG 15 1HG ARG 15 3.209 17.944 -2.310 107 1HD ARG 15 2HD ARG 15 0.562 18.951 -2.842 108 2HD ARG 15 1HD ARG 15 1.779 19.951 -3.635 109 HE ARG 15 HE ARG 15 2.606 17.544 -4.352 110 1HH1 ARG 15 1HH1 ARG 15 -0.636 18.847 -4.297 111 2HH1 ARG 15 2HH1 ARG 15 -1.190 17.847 -5.597 112 1HH2 ARG 15 1HH2 ARG 15 1.875 16.236 -6.063 113 2HH2 ARG 15 2HH2 ARG 15 0.235 16.369 -6.601 114 H VAL 16 H VAL 16 1.424 14.765 0.857 115 HA VAL 16 HA VAL 16 3.713 15.431 2.537 116 HB VAL 16 HB VAL 16 2.214 12.871 2.894 117 1HG1 VAL 16 1HG1 VAL 16 2.501 14.041 5.333 118 2HG1 VAL 16 2HG1 VAL 16 3.899 14.678 4.467 119 3HG1 VAL 16 3HG1 VAL 16 3.665 12.936 4.602 120 1HG2 VAL 16 1HG2 VAL 16 1.104 15.405 4.059 121 2HG2 VAL 16 2HG2 VAL 16 0.350 13.812 3.941 122 3HG2 VAL 16 3HG2 VAL 16 0.549 14.803 2.496 123 H ARG 17 H ARG 17 5.001 13.273 3.191 124 HA ARG 17 HA ARG 17 5.703 11.798 0.745 125 1HB ARG 17 2HB ARG 17 7.642 13.143 2.639 126 2HB ARG 17 1HB ARG 17 8.108 12.018 1.371 127 1HG ARG 17 2HG ARG 17 7.125 13.570 -0.295 128 2HG ARG 17 1HG ARG 17 6.827 14.717 1.012 129 1HD ARG 17 2HD ARG 17 8.870 15.351 -0.032 130 2HD ARG 17 1HD ARG 17 9.278 14.629 1.523 131 HE ARG 17 HE ARG 17 10.440 13.025 0.404 132 1HH1 ARG 17 1HH1 ARG 17 8.134 14.429 -1.810 133 2HH1 ARG 17 2HH1 ARG 17 8.712 13.534 -3.174 134 1HH2 ARG 17 1HH2 ARG 17 11.196 11.845 -1.394 135 2HH2 ARG 17 2HH2 ARG 17 10.444 12.069 -2.939 136 H ILE 18 H ILE 18 4.561 10.011 1.646 137 HA ILE 18 HA ILE 18 5.906 8.778 3.967 138 HB ILE 18 HB ILE 18 3.025 8.557 3.086 139 1HG1 ILE 18 2HG1 ILE 18 4.347 9.694 5.556 140 2HG1 ILE 18 1HG1 ILE 18 3.452 10.583 4.331 141 1HG2 ILE 18 1HG2 ILE 18 2.661 6.779 4.413 142 2HG2 ILE 18 2HG2 ILE 18 3.855 7.287 5.608 143 3HG2 ILE 18 3HG2 ILE 18 4.375 6.476 4.132 144 1HD1 ILE 18 1HD1 ILE 18 1.560 10.269 5.428 145 2HD1 ILE 18 2HD1 ILE 18 2.484 9.501 6.721 146 3HD1 ILE 18 3HD1 ILE 18 1.797 8.521 5.425 147 H ILE 19 H ILE 19 7.040 7.006 3.501 148 HA ILE 19 HA ILE 19 6.709 5.680 0.946 149 HB ILE 19 HB ILE 19 8.637 5.148 3.220 150 1HG1 ILE 19 2HG1 ILE 19 10.266 6.058 1.416 151 2HG1 ILE 19 1HG1 ILE 19 8.820 6.737 0.676 152 1HG2 ILE 19 1HG2 ILE 19 8.556 3.991 0.434 153 2HG2 ILE 19 2HG2 ILE 19 8.291 3.121 1.945 154 3HG2 ILE 19 3HG2 ILE 19 9.882 3.785 1.578 155 1HD1 ILE 19 1HD1 ILE 19 8.403 8.118 2.534 156 2HD1 ILE 19 2HD1 ILE 19 10.130 8.256 2.201 157 3HD1 ILE 19 3HD1 ILE 19 9.567 7.250 3.536 158 H ARG 20 H ARG 20 4.654 4.748 1.220 159 HA ARG 20 HA ARG 20 4.282 2.844 3.390 160 1HB ARG 20 2HB ARG 20 2.390 3.768 1.232 161 2HB ARG 20 1HB ARG 20 1.963 2.680 2.548 162 1HG ARG 20 2HG ARG 20 3.074 5.413 3.050 163 2HG ARG 20 1HG ARG 20 1.356 5.129 2.798 164 1HD ARG 20 2HD ARG 20 1.440 4.970 5.072 165 2HD ARG 20 1HD ARG 20 1.727 3.293 4.636 166 HE ARG 20 HE ARG 20 4.143 3.799 4.943 167 1HH1 ARG 20 1HH1 ARG 20 1.748 5.774 6.558 168 2HH1 ARG 20 2HH1 ARG 20 2.801 6.183 7.868 169 1HH2 ARG 20 1HH2 ARG 20 5.509 4.332 6.673 170 2HH2 ARG 20 2HH2 ARG 20 4.929 5.364 7.937 171 H TYR 21 H TYR 21 2.865 0.856 2.636 172 HA TYR 21 HA TYR 21 4.350 -0.462 0.457 173 1HB TYR 21 2HB TYR 21 3.717 -1.320 3.226 174 2HB TYR 21 1HB TYR 21 3.603 -2.551 1.975 175 HD1 TYR 21 1HD TYR 21 5.886 -0.166 3.625 176 HD2 TYR 21 2HD TYR 21 5.546 -3.500 1.012 177 HE1 TYR 21 1HE TYR 21 8.317 -0.505 3.751 178 HE2 TYR 21 2HE TYR 21 7.974 -3.848 1.129 179 HH TYR 21 HH TYR 21 10.038 -2.256 1.648 180 H PHE 22 H PHE 22 3.212 -1.770 -0.936 181 HA PHE 22 HA PHE 22 0.381 -2.247 -0.438 182 1HB PHE 22 2HB PHE 22 -0.418 -1.347 -2.452 183 2HB PHE 22 1HB PHE 22 0.647 -0.119 -1.804 184 HD1 PHE 22 1HD PHE 22 3.079 -0.099 -2.709 185 HD2 PHE 22 2HD PHE 22 -0.160 -2.098 -4.615 186 HE1 PHE 22 1HE PHE 22 4.336 -0.111 -4.826 187 HE2 PHE 22 2HE PHE 22 1.090 -2.113 -6.735 188 HZ PHE 22 HZ PHE 22 3.342 -1.123 -6.841 189 H TYR 23 H TYR 23 -0.499 -3.637 -2.324 190 HA TYR 23 HA TYR 23 1.487 -5.772 -2.774 191 1HB TYR 23 2HB TYR 23 -0.494 -6.458 -1.532 192 2HB TYR 23 1HB TYR 23 -1.544 -5.871 -2.828 193 HD1 TYR 23 1HD TYR 23 -2.028 -7.227 -4.698 194 HD2 TYR 23 2HD TYR 23 1.047 -8.392 -1.997 195 HE1 TYR 23 1HE TYR 23 -1.895 -9.420 -5.804 196 HE2 TYR 23 2HE TYR 23 1.185 -10.589 -3.094 197 HH TYR 23 HH TYR 23 0.644 -11.660 -5.143 198 H ASN 24 H ASN 24 2.495 -5.287 -4.678 199 HA ASN 24 HA ASN 24 1.150 -4.253 -6.961 200 1HB ASN 24 2HB ASN 24 3.586 -3.980 -6.464 201 2HB ASN 24 1HB ASN 24 3.811 -5.691 -6.836 202 1HD2 ASN 24 1HD2 ASN 24 3.071 -2.543 -8.127 203 2HD2 ASN 24 2HD2 ASN 24 3.337 -2.952 -9.805 204 H ALA 25 H ALA 25 -0.064 -5.320 -8.398 205 HA ALA 25 HA ALA 25 -0.264 -8.210 -8.231 206 1HB ALA 25 1HB ALA 25 -2.378 -7.396 -8.439 207 2HB ALA 25 2HB ALA 25 -2.013 -7.651 -10.145 208 3HB ALA 25 3HB ALA 25 -1.880 -6.038 -9.448 209 H LYS 26 H LYS 26 2.040 -6.603 -9.562 210 HA LYS 26 HA LYS 26 2.022 -8.063 -12.126 211 1HB LYS 26 2HB LYS 26 2.863 -5.345 -11.402 212 2HB LYS 26 1HB LYS 26 4.072 -6.230 -12.324 213 1HG LYS 26 2HG LYS 26 2.311 -6.719 -14.020 214 2HG LYS 26 1HG LYS 26 1.233 -5.643 -13.128 215 1HD LYS 26 2HD LYS 26 2.065 -4.116 -14.585 216 2HD LYS 26 1HD LYS 26 3.350 -4.024 -13.378 217 1HE LYS 26 2HE LYS 26 4.333 -6.017 -14.821 218 2HE LYS 26 1HE LYS 26 3.355 -5.262 -16.079 219 1HZ LYS 26 1HZ LYS 26 5.766 -4.298 -14.772 220 2HZ LYS 26 2HZ LYS 26 4.579 -3.132 -15.078 221 3HZ LYS 26 3HZ LYS 26 5.213 -4.045 -16.352 222 H ALA 27 H ALA 27 3.794 -7.221 -9.238 223 HA ALA 27 HA ALA 27 5.892 -9.164 -9.900 224 1HB ALA 27 1HB ALA 27 6.163 -6.623 -8.985 225 2HB ALA 27 2HB ALA 27 7.360 -7.897 -8.754 226 3HB ALA 27 3HB ALA 27 6.203 -7.533 -7.475 227 H GLY 28 H GLY 28 3.044 -8.808 -8.108 228 1HA GLY 28 2HA GLY 28 1.973 -10.218 -6.692 229 2HA GLY 28 1HA GLY 28 3.279 -11.322 -6.985 230 H LEU 29 H LEU 29 4.686 -8.616 -5.979 231 HA LEU 29 HA LEU 29 4.699 -9.486 -3.169 232 1HB LEU 29 2HB LEU 29 6.903 -8.140 -4.731 233 2HB LEU 29 1HB LEU 29 6.981 -8.572 -3.033 234 HG LEU 29 HG LEU 29 6.455 -10.706 -5.063 235 1HD1 LEU 29 1HD1 LEU 29 9.263 -10.257 -4.313 236 2HD1 LEU 29 2HD1 LEU 29 8.579 -9.092 -5.445 237 3HD1 LEU 29 3HD1 LEU 29 8.566 -10.811 -5.834 238 1HD2 LEU 29 1HD2 LEU 29 6.243 -11.330 -2.756 239 2HD2 LEU 29 2HD2 LEU 29 7.800 -10.599 -2.367 240 3HD2 LEU 29 3HD2 LEU 29 7.731 -12.034 -3.389 241 H CYS 30 H CYS 30 5.259 -7.737 -1.591 242 HA CYS 30 HA CYS 30 3.624 -5.435 -2.148 243 1HB CYS 30 2HB CYS 30 4.882 -6.638 0.289 244 2HB CYS 30 1HB CYS 30 4.312 -4.976 0.333 245 H GLN 31 H GLN 31 4.422 -3.560 -2.870 246 HA GLN 31 HA GLN 31 7.291 -3.043 -2.468 247 1HB GLN 31 2HB GLN 31 5.458 -2.116 -4.677 248 2HB GLN 31 1HB GLN 31 7.105 -1.549 -4.468 249 1HG GLN 31 2HG GLN 31 8.014 -3.446 -5.270 250 2HG GLN 31 1HG GLN 31 6.759 -4.471 -4.579 251 1HE2 GLN 31 1HE2 GLN 31 7.204 -5.400 -6.822 252 2HE2 GLN 31 2HE2 GLN 31 6.173 -4.837 -8.090 253 H THR 32 H THR 32 7.777 -0.604 -2.685 254 HA THR 32 HA THR 32 6.092 0.776 -0.722 255 HB THR 32 HB THR 32 8.105 2.319 -0.552 256 HG1 THR 32 1HG THR 32 9.296 1.968 -2.303 257 1HG2 THR 32 1HG2 THR 32 9.472 0.840 0.770 258 2HG2 THR 32 2HG2 THR 32 8.660 -0.567 0.080 259 3HG2 THR 32 3HG2 THR 32 7.764 0.558 1.105 260 H PHE 33 H PHE 33 5.671 3.059 -0.952 261 HA PHE 33 HA PHE 33 6.125 4.290 -3.523 262 1HB PHE 33 2HB PHE 33 3.745 4.774 -3.980 263 2HB PHE 33 1HB PHE 33 4.128 3.063 -4.079 264 HD1 PHE 33 1HD PHE 33 3.847 1.865 -1.636 265 HD2 PHE 33 2HD PHE 33 1.736 5.275 -3.056 266 HE1 PHE 33 1HE PHE 33 2.011 1.375 -0.076 267 HE2 PHE 33 2HE PHE 33 -0.106 4.790 -1.498 268 HZ PHE 33 HZ PHE 33 0.031 2.833 -0.008 269 H VAL 34 H VAL 34 5.335 6.516 -3.613 270 HA VAL 34 HA VAL 34 5.849 7.834 -1.090 271 HB VAL 34 HB VAL 34 5.447 9.069 -3.814 272 1HG1 VAL 34 1HG1 VAL 34 6.310 11.048 -2.941 273 2HG1 VAL 34 2HG1 VAL 34 6.989 10.243 -1.528 274 3HG1 VAL 34 3HG1 VAL 34 5.246 10.469 -1.661 275 1HG2 VAL 34 1HG2 VAL 34 7.307 7.409 -3.724 276 2HG2 VAL 34 2HG2 VAL 34 8.052 8.388 -2.460 277 3HG2 VAL 34 3HG2 VAL 34 7.828 9.056 -4.076 278 H TYR 35 H TYR 35 3.776 7.133 -0.204 279 HA TYR 35 HA TYR 35 1.303 8.191 -1.182 280 1HB TYR 35 2HB TYR 35 1.117 6.241 0.108 281 2HB TYR 35 1HB TYR 35 2.196 6.850 1.352 282 HD1 TYR 35 1HD TYR 35 -0.867 8.310 -0.120 283 HD2 TYR 35 2HD TYR 35 1.053 6.834 3.317 284 HE1 TYR 35 1HE TYR 35 -2.818 8.967 1.236 285 HE2 TYR 35 2HE TYR 35 -0.885 7.450 4.691 286 HH TYR 35 HH TYR 35 -2.812 8.642 4.726 287 H GLY 36 H GLY 36 0.073 9.976 -0.347 288 1HA GLY 36 2HA GLY 36 1.754 11.912 1.094 289 2HA GLY 36 1HA GLY 36 0.539 12.358 -0.082 290 H GLY 37 H GLY 37 -0.145 9.976 2.427 291 1HA GLY 37 2HA GLY 37 -1.569 10.068 4.214 292 2HA GLY 37 1HA GLY 37 -1.036 11.710 4.396 293 H CYS 38 H CYS 38 -2.588 10.881 1.460 294 HA CYS 38 HA CYS 38 -5.019 12.250 2.415 295 1HB CYS 38 2HB CYS 38 -3.384 12.704 0.095 296 2HB CYS 38 1HB CYS 38 -5.018 12.289 -0.402 297 H ARG 39 H ARG 39 -6.794 11.103 2.543 298 HA ARG 39 HA ARG 39 -8.209 9.313 2.453 299 1HB ARG 39 2HB ARG 39 -8.084 10.616 -0.006 300 2HB ARG 39 1HB ARG 39 -8.002 8.912 -0.420 301 1HG ARG 39 2HG ARG 39 -10.133 10.200 1.272 302 2HG ARG 39 1HG ARG 39 -10.297 9.738 -0.424 303 1HD ARG 39 2HD ARG 39 -11.214 7.899 0.585 304 2HD ARG 39 1HD ARG 39 -9.528 7.394 0.483 305 HE ARG 39 HE ARG 39 -9.349 7.565 2.773 306 1HH1 ARG 39 1HH1 ARG 39 -12.398 8.907 1.728 307 2HH1 ARG 39 2HH1 ARG 39 -13.050 8.990 3.329 308 1HH2 ARG 39 1HH2 ARG 39 -10.202 7.685 4.877 309 2HH2 ARG 39 2HH2 ARG 39 -11.803 8.297 5.119 310 H ALA 40 H ALA 40 -5.921 8.286 3.298 311 HA ALA 40 HA ALA 40 -4.497 6.426 1.878 312 1HB ALA 40 1HB ALA 40 -5.251 6.725 4.704 313 2HB ALA 40 2HB ALA 40 -3.671 6.456 3.970 314 3HB ALA 40 3HB ALA 40 -4.769 5.099 4.222 315 H LYS 41 H LYS 41 -4.990 4.624 0.771 316 HA LYS 41 HA LYS 41 -7.680 3.529 1.033 317 1HB LYS 41 2HB LYS 41 -5.522 3.223 -1.039 318 2HB LYS 41 1HB LYS 41 -6.919 2.156 -1.005 319 1HG LYS 41 2HG LYS 41 -7.491 5.046 -0.913 320 2HG LYS 41 1HG LYS 41 -6.823 4.419 -2.420 321 1HD LYS 41 2HD LYS 41 -8.622 2.962 -2.749 322 2HD LYS 41 1HD LYS 41 -9.142 3.081 -1.067 323 1HE LYS 41 2HE LYS 41 -10.675 4.332 -2.409 324 2HE LYS 41 1HE LYS 41 -9.702 5.473 -1.485 325 1HZ LYS 41 1HZ LYS 41 -9.256 4.734 -4.326 326 2HZ LYS 41 2HZ LYS 41 -8.337 5.843 -3.439 327 3HZ LYS 41 3HZ LYS 41 -9.961 6.173 -3.780 328 H ARG 42 H ARG 42 -7.873 1.096 0.764 329 HA ARG 42 HA ARG 42 -6.808 -0.162 3.004 330 1HB ARG 42 2HB ARG 42 -8.156 -1.226 0.536 331 2HB ARG 42 1HB ARG 42 -7.565 -2.316 1.794 332 1HG ARG 42 2HG ARG 42 -8.967 -1.159 3.438 333 2HG ARG 42 1HG ARG 42 -9.580 -0.104 2.163 334 1HD ARG 42 2HD ARG 42 -9.808 -2.898 1.443 335 2HD ARG 42 1HD ARG 42 -10.629 -2.552 2.965 336 HE ARG 42 HE ARG 42 -11.212 -0.688 0.843 337 1HH1 ARG 42 1HH1 ARG 42 -12.126 -3.690 2.372 338 2HH1 ARG 42 2HH1 ARG 42 -13.758 -3.629 1.796 339 1HH2 ARG 42 1HH2 ARG 42 -13.358 -0.608 0.085 340 2HH2 ARG 42 2HH2 ARG 42 -14.457 -1.880 0.501 341 H ASN 43 H ASN 43 -5.667 -0.257 -0.362 342 HA ASN 43 HA ASN 43 -3.591 -2.133 0.383 343 1HB ASN 43 2HB ASN 43 -4.894 -1.962 -1.913 344 2HB ASN 43 1HB ASN 43 -3.626 -0.807 -2.284 345 1HD2 ASN 43 1HD2 ASN 43 -3.678 -3.861 -0.541 346 2HD2 ASN 43 2HD2 ASN 43 -2.433 -4.621 -1.465 347 H ASN 44 H ASN 44 -3.206 -0.161 1.932 348 HA ASN 44 HA ASN 44 -0.688 0.969 1.068 349 1HB ASN 44 2HB ASN 44 -2.058 2.786 0.408 350 2HB ASN 44 1HB ASN 44 -3.108 2.606 1.810 351 1HD2 ASN 44 1HD2 ASN 44 -2.802 3.903 3.433 352 2HD2 ASN 44 2HD2 ASN 44 -1.369 4.822 3.743 353 H PHE 45 H PHE 45 0.158 -0.465 2.623 354 HA PHE 45 HA PHE 45 -0.706 -0.207 5.387 355 1HB PHE 45 2HB PHE 45 1.506 -1.953 4.293 356 2HB PHE 45 1HB PHE 45 0.660 -2.127 5.829 357 HD1 PHE 45 1HD PHE 45 0.581 -2.772 2.271 358 HD2 PHE 45 2HD PHE 45 -1.692 -2.889 5.865 359 HE1 PHE 45 1HE PHE 45 -1.082 -4.208 1.165 360 HE2 PHE 45 2HE PHE 45 -3.358 -4.330 4.767 361 HZ PHE 45 HZ PHE 45 -3.053 -4.987 2.413 362 H LYS 46 H LYS 46 1.076 -0.170 7.072 363 HA LYS 46 HA LYS 46 2.636 2.209 6.626 364 1HB LYS 46 2HB LYS 46 1.442 1.063 8.838 365 2HB LYS 46 1HB LYS 46 3.151 0.760 9.116 366 1HG LYS 46 2HG LYS 46 3.439 3.268 8.563 367 2HG LYS 46 1HG LYS 46 1.707 3.364 8.882 368 1HD LYS 46 2HD LYS 46 2.033 3.277 11.085 369 2HD LYS 46 1HD LYS 46 3.065 1.854 10.938 370 1HE LYS 46 2HE LYS 46 4.255 4.417 10.089 371 2HE LYS 46 1HE LYS 46 3.929 4.251 11.814 372 1HZ LYS 46 1HZ LYS 46 6.163 3.502 11.207 373 2HZ LYS 46 2HZ LYS 46 5.501 2.327 10.185 374 3HZ LYS 46 3HZ LYS 46 5.238 2.241 11.854 375 H SER 47 H SER 47 3.168 -1.213 6.600 376 HA SER 47 HA SER 47 5.861 -0.829 5.665 377 1HB SER 47 2HB SER 47 6.462 -2.669 7.587 378 2HB SER 47 1HB SER 47 6.776 -0.946 7.730 379 HG SER 47 HG SER 47 5.654 -1.594 9.541 380 H ALA 48 H ALA 48 6.919 -2.932 5.146 381 HA ALA 48 HA ALA 48 5.283 -4.531 3.559 382 1HB ALA 48 1HB ALA 48 7.550 -6.056 4.367 383 2HB ALA 48 2HB ALA 48 8.044 -4.375 4.180 384 3HB ALA 48 3HB ALA 48 7.269 -5.221 2.841 385 H GLU 49 H GLU 49 5.992 -4.677 6.953 386 HA GLU 49 HA GLU 49 5.311 -7.391 7.383 387 1HB GLU 49 2HB GLU 49 5.055 -6.720 9.764 388 2HB GLU 49 1HB GLU 49 6.578 -6.203 9.054 389 1HG GLU 49 2HG GLU 49 5.526 -3.953 8.689 390 2HG GLU 49 1HG GLU 49 4.165 -4.518 9.652 391 H ASP 50 H ASP 50 3.418 -4.401 7.829 392 HA ASP 50 HA ASP 50 1.023 -5.692 8.550 393 1HB ASP 50 2HB ASP 50 1.848 -2.987 7.799 394 2HB ASP 50 1HB ASP 50 0.223 -3.381 7.240 395 H CYS 51 H CYS 51 2.486 -4.881 5.475 396 HA CYS 51 HA CYS 51 0.305 -5.410 3.773 397 1HB CYS 51 2HB CYS 51 2.759 -4.432 3.375 398 2HB CYS 51 1HB CYS 51 3.095 -6.102 2.944 399 H LEU 52 H LEU 52 3.150 -7.437 4.483 400 HA LEU 52 HA LEU 52 2.179 -9.776 3.307 401 1HB LEU 52 2HB LEU 52 4.098 -9.446 5.618 402 2HB LEU 52 1HB LEU 52 3.819 -10.959 4.779 403 HG LEU 52 HG LEU 52 4.840 -8.479 3.403 404 1HD1 LEU 52 1HD1 LEU 52 6.605 -10.784 4.045 405 2HD1 LEU 52 2HD1 LEU 52 6.267 -9.604 5.310 406 3HD1 LEU 52 3HD1 LEU 52 7.007 -9.085 3.796 407 1HD2 LEU 52 1HD2 LEU 52 5.325 -9.887 1.583 408 2HD2 LEU 52 2HD2 LEU 52 3.695 -10.331 2.092 409 3HD2 LEU 52 3HD2 LEU 52 5.065 -11.348 2.538 410 H ARG 53 H ARG 53 1.605 -8.390 6.458 411 HA ARG 53 HA ARG 53 0.404 -10.706 7.603 412 1HB ARG 53 2HB ARG 53 0.450 -7.788 8.298 413 2HB ARG 53 1HB ARG 53 -0.659 -8.868 9.131 414 1HG ARG 53 2HG ARG 53 1.951 -10.035 9.086 415 2HG ARG 53 1HG ARG 53 2.049 -8.385 9.696 416 1HD ARG 53 2HD ARG 53 1.386 -9.166 11.667 417 2HD ARG 53 1HD ARG 53 -0.192 -9.469 10.943 418 HE ARG 53 HE ARG 53 1.043 -11.699 10.277 419 1HH1 ARG 53 1HH1 ARG 53 1.118 -9.994 13.327 420 2HH1 ARG 53 2HH1 ARG 53 1.390 -11.426 14.259 421 1HH2 ARG 53 1HH2 ARG 53 1.401 -13.577 11.507 422 2HH2 ARG 53 2HH2 ARG 53 1.554 -13.458 13.227 423 H THR 54 H THR 54 -0.667 -8.120 5.524 424 HA THR 54 HA THR 54 -3.476 -8.731 5.906 425 HB THR 54 HB THR 54 -2.134 -6.866 3.943 426 HG1 THR 54 1HG THR 54 -1.788 -5.832 5.747 427 1HG2 THR 54 1HG2 THR 54 -4.779 -6.126 4.762 428 2HG2 THR 54 2HG2 THR 54 -4.784 -7.724 4.012 429 3HG2 THR 54 3HG2 THR 54 -4.117 -6.344 3.143 430 H CYS 55 H CYS 55 -1.301 -8.757 3.025 431 HA CYS 55 HA CYS 55 -2.940 -10.970 1.994 432 1HB CYS 55 2HB CYS 55 -3.355 -8.810 0.845 433 2HB CYS 55 1HB CYS 55 -1.654 -8.754 0.402 434 H GLY 56 H GLY 56 -0.490 -11.152 3.531 435 1HA GLY 56 2HA GLY 56 1.431 -12.082 1.488 436 2HA GLY 56 1HA GLY 56 1.845 -11.663 3.144 437 H GLY 57 H GLY 57 1.542 -13.172 4.788 438 1HA GLY 57 2HA GLY 57 0.247 -15.692 4.281 439 2HA GLY 57 1HA GLY 57 2.001 -15.813 4.287 440 H ALA 58 H ALA 58 3.058 -15.926 6.189 441 HA ALA 58 HA ALA 58 1.872 -15.019 8.649 442 1HB ALA 58 1HB ALA 58 2.490 -17.931 8.666 443 2HB ALA 58 2HB ALA 58 0.941 -17.396 8.017 444 3HB ALA 58 3HB ALA 58 1.382 -17.005 9.678 Start of MODEL 10 1 1H ARG 1 1HT ARG 1 -4.708 -15.119 0.227 2 2H ARG 1 2HT ARG 1 -6.418 -15.031 0.114 3 3H ARG 1 3HT ARG 1 -5.590 -14.143 1.327 4 HA ARG 1 HA ARG 1 -4.699 -12.675 -0.170 5 1HB ARG 1 2HB ARG 1 -4.102 -14.543 -1.768 6 2HB ARG 1 1HB ARG 1 -5.741 -14.434 -2.396 7 1HG ARG 1 2HG ARG 1 -5.241 -11.990 -2.866 8 2HG ARG 1 1HG ARG 1 -3.550 -12.390 -2.551 9 1HD ARG 1 2HD ARG 1 -5.163 -13.992 -4.500 10 2HD ARG 1 1HD ARG 1 -4.435 -12.461 -4.984 11 HE ARG 1 HE ARG 1 -2.485 -14.060 -3.745 12 1HH1 ARG 1 1HH1 ARG 1 -4.369 -13.920 -6.679 13 2HH1 ARG 1 2HH1 ARG 1 -3.181 -14.747 -7.630 14 1HH2 ARG 1 1HH2 ARG 1 -0.921 -15.147 -4.994 15 2HH2 ARG 1 2HH2 ARG 1 -1.224 -15.444 -6.673 16 HA PRO 2 HA PRO 2 -9.126 -11.493 0.313 17 1HB PRO 2 2HB PRO 2 -7.828 -8.874 0.692 18 2HB PRO 2 1HB PRO 2 -9.036 -9.684 1.696 19 1HG PRO 2 2HG PRO 2 -6.462 -9.459 2.439 20 2HG PRO 2 1HG PRO 2 -7.451 -10.870 2.863 21 1HD PRO 2 2HD PRO 2 -5.309 -10.608 0.813 22 2HD PRO 2 1HD PRO 2 -5.775 -12.014 1.791 23 H ASP 3 H ASP 3 -10.471 -10.404 -1.084 24 HA ASP 3 HA ASP 3 -9.696 -10.095 -3.729 25 1HB ASP 3 2HB ASP 3 -12.036 -8.788 -2.329 26 2HB ASP 3 1HB ASP 3 -11.861 -8.986 -4.070 27 H PHE 4 H PHE 4 -10.119 -7.557 -1.248 28 HA PHE 4 HA PHE 4 -9.704 -5.360 -2.855 29 1HB PHE 4 2HB PHE 4 -9.214 -4.148 -0.847 30 2HB PHE 4 1HB PHE 4 -10.487 -5.300 -0.510 31 HD1 PHE 4 1HD PHE 4 -10.322 -6.690 1.304 32 HD2 PHE 4 2HD PHE 4 -6.789 -4.866 -0.216 33 HE1 PHE 4 1HE PHE 4 -9.055 -7.562 3.218 34 HE2 PHE 4 2HE PHE 4 -5.509 -5.744 1.708 35 HZ PHE 4 HZ PHE 4 -6.652 -7.097 3.417 36 H CYS 5 H CYS 5 -7.356 -7.695 -1.794 37 HA CYS 5 HA CYS 5 -5.043 -6.126 -1.873 38 1HB CYS 5 2HB CYS 5 -5.552 -9.038 -2.365 39 2HB CYS 5 1HB CYS 5 -3.954 -8.363 -2.651 40 H LEU 6 H LEU 6 -7.123 -7.110 -4.418 41 HA LEU 6 HA LEU 6 -5.135 -6.736 -6.496 42 1HB LEU 6 2HB LEU 6 -8.099 -7.085 -6.880 43 2HB LEU 6 1HB LEU 6 -6.817 -7.406 -8.032 44 HG LEU 6 HG LEU 6 -6.819 -8.974 -5.505 45 1HD1 LEU 6 1HD1 LEU 6 -9.173 -8.790 -6.895 46 2HD1 LEU 6 2HD1 LEU 6 -8.683 -10.142 -5.874 47 3HD1 LEU 6 3HD1 LEU 6 -8.407 -10.207 -7.614 48 1HD2 LEU 6 1HD2 LEU 6 -5.530 -10.407 -6.675 49 2HD2 LEU 6 2HD2 LEU 6 -5.255 -8.995 -7.694 50 3HD2 LEU 6 3HD2 LEU 6 -6.457 -10.198 -8.161 51 H GLU 7 H GLU 7 -6.086 -4.481 -4.666 52 HA GLU 7 HA GLU 7 -7.219 -2.683 -6.680 53 1HB GLU 7 2HB GLU 7 -7.861 -1.236 -4.918 54 2HB GLU 7 1HB GLU 7 -8.253 -2.861 -4.379 55 1HG GLU 7 2HG GLU 7 -6.954 -2.667 -2.592 56 2HG GLU 7 1HG GLU 7 -5.590 -2.105 -3.554 57 HA PRO 8 HA PRO 8 -3.373 -0.604 -7.257 58 1HB PRO 8 2HB PRO 8 -4.184 1.844 -8.026 59 2HB PRO 8 1HB PRO 8 -4.433 0.416 -9.037 60 1HG PRO 8 2HG PRO 8 -6.368 1.828 -7.245 61 2HG PRO 8 1HG PRO 8 -6.624 1.167 -8.871 62 1HD PRO 8 2HD PRO 8 -7.376 -0.111 -6.567 63 2HD PRO 8 1HD PRO 8 -6.988 -0.952 -8.081 64 HA PRO 9 HA PRO 9 -2.292 1.506 -3.507 65 1HB PRO 9 2HB PRO 9 -0.073 2.840 -4.338 66 2HB PRO 9 1HB PRO 9 -0.097 1.101 -4.023 67 1HG PRO 9 2HG PRO 9 -0.340 2.551 -6.638 68 2HG PRO 9 1HG PRO 9 0.649 1.130 -6.236 69 1HD PRO 9 2HD PRO 9 -1.696 0.891 -7.520 70 2HD PRO 9 1HD PRO 9 -1.161 -0.312 -6.320 71 H TYR 10 H TYR 10 -3.241 3.245 -2.659 72 HA TYR 10 HA TYR 10 -3.837 5.541 -4.373 73 1HB TYR 10 2HB TYR 10 -5.549 4.331 -2.865 74 2HB TYR 10 1HB TYR 10 -4.784 5.200 -1.538 75 HD1 TYR 10 1HD TYR 10 -5.701 7.227 -0.930 76 HD2 TYR 10 2HD TYR 10 -6.181 5.888 -4.940 77 HE1 TYR 10 1HE TYR 10 -7.080 9.204 -1.420 78 HE2 TYR 10 2HE TYR 10 -7.563 7.859 -5.440 79 HH TYR 10 HH TYR 10 -7.815 10.522 -3.287 80 H THR 11 H THR 11 -2.644 7.304 -4.312 81 HA THR 11 HA THR 11 -0.876 7.778 -1.994 82 HB THR 11 HB THR 11 -0.679 8.711 -4.873 83 HG1 THR 11 1HG THR 11 0.908 7.236 -5.052 84 1HG2 THR 11 1HG2 THR 11 1.572 8.974 -2.963 85 2HG2 THR 11 2HG2 THR 11 0.316 10.209 -2.967 86 3HG2 THR 11 3HG2 THR 11 1.230 9.873 -4.437 87 H GLY 12 H GLY 12 -3.522 9.066 -3.821 88 1HA GLY 12 2HA GLY 12 -4.880 10.840 -3.464 89 2HA GLY 12 1HA GLY 12 -4.043 11.043 -1.941 90 HA PRO 13 HA PRO 13 -2.705 14.329 -5.062 91 1HB PRO 13 2HB PRO 13 -4.520 16.269 -4.846 92 2HB PRO 13 1HB PRO 13 -4.814 14.856 -5.866 93 1HG PRO 13 2HG PRO 13 -5.855 15.471 -3.133 94 2HG PRO 13 1HG PRO 13 -6.690 14.730 -4.510 95 1HD PRO 13 2HD PRO 13 -5.585 13.345 -2.369 96 2HD PRO 13 1HD PRO 13 -5.971 12.643 -3.955 97 H CYS 14 H CYS 14 -2.797 13.933 -1.873 98 HA CYS 14 HA CYS 14 -2.462 16.561 -0.849 99 1HB CYS 14 2HB CYS 14 -2.016 13.797 0.171 100 2HB CYS 14 1HB CYS 14 -1.241 15.136 1.021 101 H ARG 15 H ARG 15 -0.351 17.013 0.424 102 HA ARG 15 HA ARG 15 1.878 16.716 -1.483 103 1HB ARG 15 2HB ARG 15 0.661 19.034 -0.787 104 2HB ARG 15 1HB ARG 15 1.947 18.977 0.411 105 1HG ARG 15 2HG ARG 15 3.518 18.562 -1.562 106 2HG ARG 15 1HG ARG 15 2.172 19.088 -2.573 107 1HD ARG 15 2HD ARG 15 3.196 21.096 -2.261 108 2HD ARG 15 1HD ARG 15 2.142 21.095 -0.851 109 HE ARG 15 HE ARG 15 5.009 20.402 -0.803 110 1HH1 ARG 15 1HH1 ARG 15 2.146 21.653 0.778 111 2HH1 ARG 15 2HH1 ARG 15 2.992 22.083 2.223 112 1HH2 ARG 15 1HH2 ARG 15 6.105 20.970 1.101 113 2HH2 ARG 15 2HH2 ARG 15 5.232 21.697 2.409 114 H VAL 16 H VAL 16 1.737 14.698 0.283 115 HA VAL 16 HA VAL 16 3.772 15.361 2.317 116 HB VAL 16 HB VAL 16 2.125 12.872 2.534 117 1HG1 VAL 16 1HG1 VAL 16 2.447 13.935 5.031 118 2HG1 VAL 16 2HG1 VAL 16 3.916 14.464 4.209 119 3HG1 VAL 16 3HG1 VAL 16 3.517 12.749 4.284 120 1HG2 VAL 16 1HG2 VAL 16 0.539 14.797 2.183 121 2HG2 VAL 16 2HG2 VAL 16 1.194 15.511 3.658 122 3HG2 VAL 16 3HG2 VAL 16 0.363 13.954 3.723 123 H ARG 17 H ARG 17 4.961 13.143 2.951 124 HA ARG 17 HA ARG 17 5.613 11.621 0.535 125 1HB ARG 17 2HB ARG 17 7.238 13.507 0.739 126 2HB ARG 17 1HB ARG 17 7.717 12.879 2.310 127 1HG ARG 17 2HG ARG 17 8.052 10.674 0.799 128 2HG ARG 17 1HG ARG 17 8.382 11.932 -0.396 129 1HD ARG 17 2HD ARG 17 10.183 12.780 0.818 130 2HD ARG 17 1HD ARG 17 9.659 12.006 2.314 131 HE ARG 17 HE ARG 17 10.254 10.033 0.398 132 1HH1 ARG 17 1HH1 ARG 17 11.847 12.397 2.412 133 2HH1 ARG 17 2HH1 ARG 17 13.322 11.497 2.517 134 1HH2 ARG 17 1HH2 ARG 17 12.195 8.849 0.536 135 2HH2 ARG 17 2HH2 ARG 17 13.520 9.484 1.452 136 H ILE 18 H ILE 18 4.335 10.053 1.721 137 HA ILE 18 HA ILE 18 5.702 8.841 4.022 138 HB ILE 18 HB ILE 18 2.857 8.561 3.043 139 1HG1 ILE 18 2HG1 ILE 18 4.076 9.922 5.449 140 2HG1 ILE 18 1HG1 ILE 18 3.194 10.677 4.127 141 1HG2 ILE 18 1HG2 ILE 18 4.128 6.558 4.262 142 2HG2 ILE 18 2HG2 ILE 18 2.425 6.918 4.530 143 3HG2 ILE 18 3HG2 ILE 18 3.639 7.481 5.681 144 1HD1 ILE 18 1HD1 ILE 18 1.501 8.727 5.279 145 2HD1 ILE 18 2HD1 ILE 18 1.323 10.483 5.282 146 3HD1 ILE 18 3HD1 ILE 18 2.201 9.683 6.586 147 H ILE 19 H ILE 19 6.919 7.117 3.574 148 HA ILE 19 HA ILE 19 6.659 5.687 1.097 149 HB ILE 19 HB ILE 19 8.397 5.123 3.507 150 1HG1 ILE 19 2HG1 ILE 19 8.869 7.307 2.499 151 2HG1 ILE 19 1HG1 ILE 19 10.196 6.183 2.225 152 1HG2 ILE 19 1HG2 ILE 19 7.824 3.391 1.479 153 2HG2 ILE 19 2HG2 ILE 19 9.299 3.365 2.445 154 3HG2 ILE 19 3HG2 ILE 19 9.284 4.179 0.881 155 1HD1 ILE 19 1HD1 ILE 19 8.523 5.891 0.018 156 2HD1 ILE 19 2HD1 ILE 19 10.087 6.703 0.081 157 3HD1 ILE 19 3HD1 ILE 19 8.604 7.625 0.326 158 H ARG 20 H ARG 20 4.532 4.855 1.294 159 HA ARG 20 HA ARG 20 4.034 2.944 3.444 160 1HB ARG 20 2HB ARG 20 2.254 4.018 1.258 161 2HB ARG 20 1HB ARG 20 1.744 2.792 2.409 162 1HG ARG 20 2HG ARG 20 2.576 5.613 3.044 163 2HG ARG 20 1HG ARG 20 0.940 4.958 3.086 164 1HD ARG 20 2HD ARG 20 3.042 3.642 4.735 165 2HD ARG 20 1HD ARG 20 2.396 5.180 5.283 166 HE ARG 20 HE ARG 20 0.967 2.653 5.085 167 1HH1 ARG 20 1HH1 ARG 20 0.852 6.077 5.773 168 2HH1 ARG 20 2HH1 ARG 20 -0.629 5.973 6.660 169 1HH2 ARG 20 1HH2 ARG 20 -0.982 2.523 6.255 170 2HH2 ARG 20 2HH2 ARG 20 -1.670 3.960 6.933 171 H TYR 21 H TYR 21 2.803 0.906 2.750 172 HA TYR 21 HA TYR 21 4.255 -0.333 0.506 173 1HB TYR 21 2HB TYR 21 3.300 -1.493 3.123 174 2HB TYR 21 1HB TYR 21 3.955 -2.464 1.807 175 HD1 TYR 21 1HD TYR 21 6.349 -2.360 1.275 176 HD2 TYR 21 2HD TYR 21 4.709 -0.143 4.513 177 HE1 TYR 21 1HE TYR 21 8.610 -2.020 2.179 178 HE2 TYR 21 2HE TYR 21 6.962 0.208 5.425 179 HH TYR 21 HH TYR 21 9.243 0.175 4.772 180 H PHE 22 H PHE 22 3.126 -1.907 -0.736 181 HA PHE 22 HA PHE 22 0.316 -2.348 -0.263 182 1HB PHE 22 2HB PHE 22 -0.579 -1.392 -2.195 183 2HB PHE 22 1HB PHE 22 0.512 -0.170 -1.577 184 HD1 PHE 22 1HD PHE 22 2.816 0.030 -2.647 185 HD2 PHE 22 2HD PHE 22 -0.367 -2.226 -4.353 186 HE1 PHE 22 1HE PHE 22 3.947 0.092 -4.832 187 HE2 PHE 22 2HE PHE 22 0.759 -2.167 -6.542 188 HZ PHE 22 HZ PHE 22 2.920 -1.011 -6.780 189 H TYR 23 H TYR 23 -0.594 -3.690 -2.161 190 HA TYR 23 HA TYR 23 1.363 -5.829 -2.671 191 1HB TYR 23 2HB TYR 23 -0.737 -6.419 -1.520 192 2HB TYR 23 1HB TYR 23 -1.654 -5.861 -2.922 193 HD1 TYR 23 1HD TYR 23 -2.312 -7.441 -4.472 194 HD2 TYR 23 2HD TYR 23 1.135 -8.211 -2.102 195 HE1 TYR 23 1HE TYR 23 -2.111 -9.665 -5.500 196 HE2 TYR 23 2HE TYR 23 1.345 -10.438 -3.121 197 HH TYR 23 HH TYR 23 0.593 -11.502 -5.391 198 H ASN 24 H ASN 24 2.451 -5.161 -4.507 199 HA ASN 24 HA ASN 24 1.196 -4.071 -6.798 200 1HB ASN 24 2HB ASN 24 3.584 -3.777 -6.218 201 2HB ASN 24 1HB ASN 24 3.861 -5.491 -6.555 202 1HD2 ASN 24 1HD2 ASN 24 3.536 -2.353 -7.864 203 2HD2 ASN 24 2HD2 ASN 24 3.762 -2.782 -9.542 204 H ALA 25 H ALA 25 -0.005 -5.079 -8.282 205 HA ALA 25 HA ALA 25 -0.217 -7.965 -8.257 206 1HB ALA 25 1HB ALA 25 -1.727 -5.765 -9.610 207 2HB ALA 25 2HB ALA 25 -2.295 -6.954 -8.439 208 3HB ALA 25 3HB ALA 25 -1.949 -7.445 -10.096 209 H LYS 26 H LYS 26 2.143 -6.325 -9.458 210 HA LYS 26 HA LYS 26 2.181 -7.637 -12.099 211 1HB LYS 26 2HB LYS 26 2.918 -4.994 -11.248 212 2HB LYS 26 1HB LYS 26 4.353 -5.823 -11.837 213 1HG LYS 26 2HG LYS 26 2.450 -6.425 -13.736 214 2HG LYS 26 1HG LYS 26 2.082 -4.757 -13.297 215 1HD LYS 26 2HD LYS 26 4.706 -4.501 -13.521 216 2HD LYS 26 1HD LYS 26 4.509 -5.896 -14.584 217 1HE LYS 26 2HE LYS 26 2.569 -4.433 -15.592 218 2HE LYS 26 1HE LYS 26 3.498 -3.110 -14.888 219 1HZ LYS 26 1HZ LYS 26 5.211 -3.423 -16.327 220 2HZ LYS 26 2HZ LYS 26 3.950 -3.970 -17.313 221 3HZ LYS 26 3HZ LYS 26 4.933 -5.083 -16.503 222 H ALA 27 H ALA 27 3.977 -6.977 -9.154 223 HA ALA 27 HA ALA 27 5.928 -9.057 -9.839 224 1HB ALA 27 1HB ALA 27 5.973 -6.784 -7.874 225 2HB ALA 27 2HB ALA 27 7.066 -7.101 -9.221 226 3HB ALA 27 3HB ALA 27 7.124 -8.118 -7.782 227 H GLY 28 H GLY 28 3.058 -8.667 -8.176 228 1HA GLY 28 2HA GLY 28 1.900 -10.005 -6.766 229 2HA GLY 28 1HA GLY 28 3.137 -11.178 -7.079 230 H LEU 29 H LEU 29 4.571 -8.494 -5.950 231 HA LEU 29 HA LEU 29 4.585 -9.510 -3.189 232 1HB LEU 29 2HB LEU 29 6.810 -8.069 -4.633 233 2HB LEU 29 1HB LEU 29 6.872 -8.673 -2.988 234 HG LEU 29 HG LEU 29 6.613 -10.385 -5.463 235 1HD1 LEU 29 1HD1 LEU 29 8.799 -9.728 -5.571 236 2HD1 LEU 29 2HD1 LEU 29 8.943 -11.115 -4.492 237 3HD1 LEU 29 3HD1 LEU 29 8.928 -9.481 -3.830 238 1HD2 LEU 29 1HD2 LEU 29 7.205 -11.299 -2.665 239 2HD2 LEU 29 2HD2 LEU 29 6.743 -12.266 -4.065 240 3HD2 LEU 29 3HD2 LEU 29 5.561 -11.209 -3.295 241 H CYS 30 H CYS 30 5.333 -7.760 -1.589 242 HA CYS 30 HA CYS 30 3.600 -5.486 -1.982 243 1HB CYS 30 2HB CYS 30 4.939 -6.801 0.318 244 2HB CYS 30 1HB CYS 30 4.596 -5.081 0.465 245 H GLN 31 H GLN 31 4.291 -3.594 -2.719 246 HA GLN 31 HA GLN 31 7.155 -2.963 -2.468 247 1HB GLN 31 2HB GLN 31 5.272 -1.909 -4.577 248 2HB GLN 31 1HB GLN 31 7.017 -1.715 -4.521 249 1HG GLN 31 2HG GLN 31 6.237 -4.503 -4.479 250 2HG GLN 31 1HG GLN 31 5.610 -3.658 -5.892 251 1HE2 GLN 31 1HE2 GLN 31 7.309 -5.568 -6.440 252 2HE2 GLN 31 2HE2 GLN 31 8.870 -4.960 -6.861 253 H THR 32 H THR 32 7.613 -0.577 -2.522 254 HA THR 32 HA THR 32 5.743 0.766 -0.708 255 HB THR 32 HB THR 32 7.603 2.101 0.034 256 HG1 THR 32 1HG THR 32 9.489 2.179 -0.999 257 1HG2 THR 32 1HG2 THR 32 8.222 0.453 1.360 258 2HG2 THR 32 2HG2 THR 32 9.325 -0.108 0.106 259 3HG2 THR 32 3HG2 THR 32 7.683 -0.746 0.186 260 H PHE 33 H PHE 33 5.642 3.174 -0.877 261 HA PHE 33 HA PHE 33 6.250 4.381 -3.404 262 1HB PHE 33 2HB PHE 33 3.897 4.960 -3.987 263 2HB PHE 33 1HB PHE 33 4.263 3.249 -4.140 264 HD1 PHE 33 1HD PHE 33 1.821 5.427 -3.197 265 HD2 PHE 33 2HD PHE 33 3.827 1.969 -1.741 266 HE1 PHE 33 1HE PHE 33 -0.115 4.908 -1.772 267 HE2 PHE 33 2HE PHE 33 1.897 1.446 -0.313 268 HZ PHE 33 HZ PHE 33 -0.078 2.914 -0.327 269 H VAL 34 H VAL 34 5.519 6.645 -3.511 270 HA VAL 34 HA VAL 34 5.914 7.902 -0.938 271 HB VAL 34 HB VAL 34 5.626 9.210 -3.643 272 1HG1 VAL 34 1HG1 VAL 34 5.283 10.737 -1.781 273 2HG1 VAL 34 2HG1 VAL 34 6.818 11.077 -2.581 274 3HG1 VAL 34 3HG1 VAL 34 6.797 10.208 -1.047 275 1HG2 VAL 34 1HG2 VAL 34 7.973 9.139 -3.891 276 2HG2 VAL 34 2HG2 VAL 34 7.487 7.505 -3.439 277 3HG2 VAL 34 3HG2 VAL 34 8.208 8.574 -2.237 278 H TYR 35 H TYR 35 3.793 7.146 -0.198 279 HA TYR 35 HA TYR 35 1.362 8.141 -1.252 280 1HB TYR 35 2HB TYR 35 1.194 6.245 0.120 281 2HB TYR 35 1HB TYR 35 2.201 6.951 1.376 282 HD1 TYR 35 1HD TYR 35 -0.772 8.352 -0.290 283 HD2 TYR 35 2HD TYR 35 0.916 6.883 3.266 284 HE1 TYR 35 1HE TYR 35 -2.790 9.054 0.937 285 HE2 TYR 35 2HE TYR 35 -1.082 7.549 4.525 286 HH TYR 35 HH TYR 35 -3.719 9.306 2.959 287 H GLY 36 H GLY 36 0.146 9.992 -0.723 288 1HA GLY 36 2HA GLY 36 1.697 12.041 0.686 289 2HA GLY 36 1HA GLY 36 0.452 12.363 -0.497 290 H GLY 37 H GLY 37 -0.215 10.082 2.088 291 1HA GLY 37 2HA GLY 37 -1.640 10.237 3.878 292 2HA GLY 37 1HA GLY 37 -1.073 11.872 4.020 293 H CYS 38 H CYS 38 -2.684 10.931 1.125 294 HA CYS 38 HA CYS 38 -5.024 12.483 2.003 295 1HB CYS 38 2HB CYS 38 -3.460 12.604 -0.388 296 2HB CYS 38 1HB CYS 38 -5.103 12.135 -0.810 297 H ARG 39 H ARG 39 -6.555 11.180 2.706 298 HA ARG 39 HA ARG 39 -7.981 9.413 2.908 299 1HB ARG 39 2HB ARG 39 -8.457 10.718 0.538 300 2HB ARG 39 1HB ARG 39 -8.334 9.044 0.022 301 1HG ARG 39 2HG ARG 39 -9.975 9.408 2.406 302 2HG ARG 39 1HG ARG 39 -10.585 10.255 0.985 303 1HD ARG 39 2HD ARG 39 -11.578 8.125 0.921 304 2HD ARG 39 1HD ARG 39 -10.282 8.073 -0.270 305 HE ARG 39 HE ARG 39 -8.954 6.930 1.524 306 1HH1 ARG 39 1HH1 ARG 39 -12.446 6.735 1.477 307 2HH1 ARG 39 2HH1 ARG 39 -12.488 5.233 2.332 308 1HH2 ARG 39 1HH2 ARG 39 -9.022 4.959 2.641 309 2HH2 ARG 39 2HH2 ARG 39 -10.552 4.225 2.992 310 H ALA 40 H ALA 40 -5.642 8.352 3.315 311 HA ALA 40 HA ALA 40 -4.542 6.487 1.611 312 1HB ALA 40 1HB ALA 40 -4.402 7.069 4.387 313 2HB ALA 40 2HB ALA 40 -3.251 6.180 3.391 314 3HB ALA 40 3HB ALA 40 -4.562 5.322 4.200 315 H LYS 41 H LYS 41 -5.065 4.500 0.869 316 HA LYS 41 HA LYS 41 -7.748 3.532 1.451 317 1HB LYS 41 2HB LYS 41 -5.713 2.702 -0.620 318 2HB LYS 41 1HB LYS 41 -7.286 1.942 -0.436 319 1HG LYS 41 2HG LYS 41 -6.873 4.862 -1.031 320 2HG LYS 41 1HG LYS 41 -7.177 3.622 -2.250 321 1HD LYS 41 2HD LYS 41 -9.275 3.070 -0.881 322 2HD LYS 41 1HD LYS 41 -9.009 4.628 -0.095 323 1HE LYS 41 2HE LYS 41 -10.435 5.208 -1.813 324 2HE LYS 41 1HE LYS 41 -8.856 5.525 -2.534 325 1HZ LYS 41 1HZ LYS 41 -9.181 3.006 -3.252 326 2HZ LYS 41 2HZ LYS 41 -9.749 4.296 -4.187 327 3HZ LYS 41 3HZ LYS 41 -10.810 3.458 -3.170 328 H ARG 42 H ARG 42 -7.735 0.917 1.168 329 HA ARG 42 HA ARG 42 -6.742 -0.054 3.626 330 1HB ARG 42 2HB ARG 42 -7.934 -1.421 1.216 331 2HB ARG 42 1HB ARG 42 -7.414 -2.324 2.639 332 1HG ARG 42 2HG ARG 42 -9.283 -1.827 3.720 333 2HG ARG 42 1HG ARG 42 -9.080 -0.103 3.402 334 1HD ARG 42 2HD ARG 42 -9.904 -1.557 1.032 335 2HD ARG 42 1HD ARG 42 -11.042 -1.768 2.362 336 HE ARG 42 HE ARG 42 -10.563 0.916 2.301 337 1HH1 ARG 42 1HH1 ARG 42 -11.666 -1.428 -0.038 338 2HH1 ARG 42 2HH1 ARG 42 -12.625 -0.284 -0.916 339 1HH2 ARG 42 1HH2 ARG 42 -11.824 2.420 1.147 340 2HH2 ARG 42 2HH2 ARG 42 -12.715 1.901 -0.243 341 H ASN 43 H ASN 43 -5.501 -0.208 0.337 342 HA ASN 43 HA ASN 43 -3.378 -2.017 1.127 343 1HB ASN 43 2HB ASN 43 -4.688 -1.778 -1.205 344 2HB ASN 43 1HB ASN 43 -3.328 -0.713 -1.538 345 1HD2 ASN 43 1HD2 ASN 43 -3.596 -2.862 -3.075 346 2HD2 ASN 43 2HD2 ASN 43 -2.410 -4.059 -2.697 347 H ASN 44 H ASN 44 -2.921 -0.157 2.718 348 HA ASN 44 HA ASN 44 -0.547 1.204 1.728 349 1HB ASN 44 2HB ASN 44 -2.806 2.692 3.089 350 2HB ASN 44 1HB ASN 44 -1.227 3.369 2.700 351 1HD2 ASN 44 1HD2 ASN 44 -1.244 4.589 0.978 352 2HD2 ASN 44 2HD2 ASN 44 -2.243 4.369 -0.423 353 H PHE 45 H PHE 45 0.396 -0.453 3.112 354 HA PHE 45 HA PHE 45 -0.053 -0.156 5.981 355 1HB PHE 45 2HB PHE 45 1.926 -2.045 4.727 356 2HB PHE 45 1HB PHE 45 1.063 -2.204 6.255 357 HD1 PHE 45 1HD PHE 45 -1.253 -2.938 6.307 358 HD2 PHE 45 2HD PHE 45 0.879 -2.623 2.640 359 HE1 PHE 45 1HE PHE 45 -3.011 -4.235 5.177 360 HE2 PHE 45 2HE PHE 45 -0.871 -3.926 1.504 361 HZ PHE 45 HZ PHE 45 -2.821 -4.733 2.773 362 H LYS 46 H LYS 46 1.749 0.074 7.450 363 HA LYS 46 HA LYS 46 3.682 2.012 6.447 364 1HB LYS 46 2HB LYS 46 2.805 1.178 9.204 365 2HB LYS 46 1HB LYS 46 4.227 2.182 8.954 366 1HG LYS 46 2HG LYS 46 2.862 3.873 7.860 367 2HG LYS 46 1HG LYS 46 1.431 2.861 8.066 368 1HD LYS 46 2HD LYS 46 2.596 3.065 10.609 369 2HD LYS 46 1HD LYS 46 2.661 4.688 9.920 370 1HE LYS 46 2HE LYS 46 0.253 4.526 9.400 371 2HE LYS 46 1HE LYS 46 0.214 2.943 10.174 372 1HZ LYS 46 1HZ LYS 46 1.215 5.267 11.672 373 2HZ LYS 46 2HZ LYS 46 0.489 3.853 12.250 374 3HZ LYS 46 3HZ LYS 46 -0.453 5.043 11.504 375 H SER 47 H SER 47 3.539 -1.314 7.104 376 HA SER 47 HA SER 47 6.447 -1.466 6.902 377 1HB SER 47 2HB SER 47 5.887 -3.505 8.698 378 2HB SER 47 1HB SER 47 6.676 -1.976 9.070 379 HG SER 47 HG SER 47 3.910 -2.576 9.259 380 H ALA 48 H ALA 48 7.251 -3.406 6.103 381 HA ALA 48 HA ALA 48 5.717 -4.642 4.119 382 1HB ALA 48 1HB ALA 48 7.958 -4.823 3.692 383 2HB ALA 48 2HB ALA 48 7.641 -6.431 4.345 384 3HB ALA 48 3HB ALA 48 8.364 -5.189 5.369 385 H GLU 49 H GLU 49 6.256 -5.450 7.481 386 HA GLU 49 HA GLU 49 5.320 -8.109 7.409 387 1HB GLU 49 2HB GLU 49 5.472 -6.066 9.622 388 2HB GLU 49 1HB GLU 49 4.861 -7.692 9.889 389 1HG GLU 49 2HG GLU 49 7.057 -8.528 8.958 390 2HG GLU 49 1HG GLU 49 7.628 -6.864 9.075 391 H ASP 50 H ASP 50 3.647 -5.075 8.267 392 HA ASP 50 HA ASP 50 1.122 -6.194 8.718 393 1HB ASP 50 2HB ASP 50 1.952 -3.454 7.751 394 2HB ASP 50 1HB ASP 50 0.272 -3.877 8.068 395 H CYS 51 H CYS 51 2.710 -5.095 5.781 396 HA CYS 51 HA CYS 51 0.568 -5.326 3.984 397 1HB CYS 51 2HB CYS 51 3.082 -4.475 3.745 398 2HB CYS 51 1HB CYS 51 3.338 -6.116 3.166 399 H LEU 52 H LEU 52 3.256 -7.597 4.512 400 HA LEU 52 HA LEU 52 2.213 -9.759 3.108 401 1HB LEU 52 2HB LEU 52 4.048 -9.678 5.501 402 2HB LEU 52 1HB LEU 52 3.669 -11.158 4.643 403 HG LEU 52 HG LEU 52 4.990 -8.747 3.396 404 1HD1 LEU 52 1HD1 LEU 52 6.523 -9.677 4.954 405 2HD1 LEU 52 2HD1 LEU 52 6.994 -10.254 3.355 406 3HD1 LEU 52 3HD1 LEU 52 6.128 -11.323 4.459 407 1HD2 LEU 52 1HD2 LEU 52 3.609 -10.832 2.194 408 2HD2 LEU 52 2HD2 LEU 52 5.303 -11.301 2.065 409 3HD2 LEU 52 3HD2 LEU 52 4.767 -9.749 1.420 410 H ARG 53 H ARG 53 1.448 -8.564 6.284 411 HA ARG 53 HA ARG 53 0.106 -10.916 7.189 412 1HB ARG 53 2HB ARG 53 0.892 -8.501 8.336 413 2HB ARG 53 1HB ARG 53 -0.862 -8.437 8.369 414 1HG ARG 53 2HG ARG 53 -0.718 -10.795 9.387 415 2HG ARG 53 1HG ARG 53 0.974 -10.396 9.690 416 1HD ARG 53 2HD ARG 53 -0.291 -8.164 10.606 417 2HD ARG 53 1HD ARG 53 -1.463 -9.419 10.999 418 HE ARG 53 HE ARG 53 1.140 -9.029 12.183 419 1HH1 ARG 53 1HH1 ARG 53 -1.488 -11.266 11.651 420 2HH1 ARG 53 2HH1 ARG 53 -1.080 -12.259 13.010 421 1HH2 ARG 53 1HH2 ARG 53 1.676 -10.336 13.967 422 2HH2 ARG 53 2HH2 ARG 53 0.715 -11.731 14.325 423 H THR 54 H THR 54 -0.760 -8.095 5.320 424 HA THR 54 HA THR 54 -3.597 -8.769 5.417 425 HB THR 54 HB THR 54 -2.226 -6.521 3.935 426 HG1 THR 54 1HG THR 54 -1.905 -6.425 6.209 427 1HG2 THR 54 1HG2 THR 54 -4.603 -5.523 4.485 428 2HG2 THR 54 2HG2 THR 54 -5.063 -7.224 4.429 429 3HG2 THR 54 3HG2 THR 54 -4.314 -6.466 3.020 430 H CYS 55 H CYS 55 -1.085 -8.345 2.891 431 HA CYS 55 HA CYS 55 -2.825 -9.863 1.076 432 1HB CYS 55 2HB CYS 55 -0.644 -7.853 0.583 433 2HB CYS 55 1HB CYS 55 -1.253 -8.895 -0.699 434 H GLY 56 H GLY 56 -0.143 -10.330 3.002 435 1HA GLY 56 2HA GLY 56 1.239 -12.105 1.144 436 2HA GLY 56 1HA GLY 56 1.751 -11.702 2.776 437 H GLY 57 H GLY 57 -1.185 -13.164 1.360 438 1HA GLY 57 2HA GLY 57 -2.299 -15.099 1.879 439 2HA GLY 57 1HA GLY 57 -0.728 -15.758 2.311 440 H ALA 58 H ALA 58 -0.035 -15.667 4.475 441 HA ALA 58 HA ALA 58 -2.246 -15.463 6.381 442 1HB ALA 58 1HB ALA 58 -0.978 -17.548 6.354 443 2HB ALA 58 2HB ALA 58 -0.805 -16.720 7.902 444 3HB ALA 58 3HB ALA 58 0.502 -16.661 6.719
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