NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20500 | 2fwu | 7008 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H HIS 501 1H HIS 501 -9.513 -16.837 -5.046 2 HA HIS 501 HA HIS 501 -9.629 -15.182 -7.046 3 1HB HIS 501 1HB HIS 501 -10.674 -13.454 -5.560 4 2HB HIS 501 2HB HIS 501 -9.209 -13.406 -4.604 5 HD1 HIS 501 HD1 HIS 501 -10.852 -11.788 -7.401 6 HD2 HIS 501 HD2 HIS 501 -6.940 -12.361 -6.143 7 HE1 HIS 501 HE1 HIS 501 -9.476 -10.040 -8.581 8 H ALA 502 H ALA 502 -7.651 -14.369 -4.252 9 HA ALA 502 HA ALA 502 -5.491 -16.021 -4.434 10 1HB ALA 502 1HB ALA 502 -5.099 -15.101 -6.740 11 2HB ALA 502 2HB ALA 502 -3.793 -14.754 -5.606 12 3HB ALA 502 3HB ALA 502 -4.936 -13.489 -6.021 13 H GLY 503 H GLY 503 -5.630 -12.487 -4.597 14 1HA GLY 503 1HA GLY 503 -5.632 -12.262 -1.808 15 2HA GLY 503 2HA GLY 503 -4.051 -11.863 -2.513 16 H ILE 504 H ILE 504 -6.134 -10.312 -1.146 17 HA ILE 504 HA ILE 504 -6.374 -8.238 -3.165 18 HB ILE 504 HB ILE 504 -8.360 -8.820 -0.925 19 1HG1 ILE 504 1HG1 ILE 504 -10.049 -8.924 -2.889 20 2HG1 ILE 504 2HG1 ILE 504 -8.647 -9.116 -3.926 21 1HG2 ILE 504 1HG2 ILE 504 -8.052 -6.462 -1.203 22 2HG2 ILE 504 2HG2 ILE 504 -9.649 -6.920 -1.810 23 3HG2 ILE 504 3HG2 ILE 504 -8.326 -6.597 -2.937 24 1HD1 ILE 504 1HD1 ILE 504 -9.489 -10.975 -1.710 25 2HD1 ILE 504 2HD1 ILE 504 -8.070 -11.180 -2.733 26 3HD1 ILE 504 3HD1 ILE 504 -9.683 -11.254 -3.441 27 H PHE 505 H PHE 505 -4.733 -7.027 -2.559 28 HA PHE 505 HA PHE 505 -4.631 -6.214 0.253 29 1HB PHE 505 1HB PHE 505 -2.315 -6.579 -1.648 30 2HB PHE 505 2HB PHE 505 -2.171 -5.930 -0.014 31 HD1 PHE 505 HD1 PHE 505 -2.981 -7.484 1.901 32 HD2 PHE 505 HD2 PHE 505 -2.061 -8.848 -2.021 33 HE1 PHE 505 HE1 PHE 505 -2.694 -9.769 2.764 34 HE2 PHE 505 HE2 PHE 505 -1.773 -11.132 -1.165 35 HZ PHE 505 HZ PHE 505 -2.091 -11.597 1.229 36 H THR 506 H THR 506 -5.450 -4.275 0.264 37 HA THR 506 HA THR 506 -4.504 -2.361 -1.691 38 HB THR 506 HB THR 506 -6.664 -3.271 -2.560 39 HG1 THR 506 HG1 THR 506 -7.229 -0.659 -1.648 40 1HG2 THR 506 1HG2 THR 506 -7.736 -3.870 -0.433 41 2HG2 THR 506 2HG2 THR 506 -8.776 -2.804 -1.384 42 3HG2 THR 506 3HG2 THR 506 -7.871 -2.159 -0.021 43 H PHE 507 H PHE 507 -4.903 -0.155 -0.907 44 HA PHE 507 HA PHE 507 -4.808 -0.012 1.981 45 1HB PHE 507 1HB PHE 507 -4.564 2.100 -0.170 46 2HB PHE 507 2HB PHE 507 -4.507 2.446 1.551 47 HD1 PHE 507 HD1 PHE 507 -2.671 1.304 -1.323 48 HD2 PHE 507 HD2 PHE 507 -2.673 1.506 2.918 49 HE1 PHE 507 HE1 PHE 507 -0.244 0.870 -1.305 50 HE2 PHE 507 HE2 PHE 507 -0.269 1.087 2.954 51 HZ PHE 507 HZ PHE 507 0.956 0.758 0.850 52 H GLU 508 H GLU 508 -6.263 1.171 3.193 53 HA GLU 508 HA GLU 508 -8.939 1.081 2.232 54 1HB GLU 508 1HB GLU 508 -7.967 0.711 4.622 55 2HB GLU 508 2HB GLU 508 -8.033 2.463 4.762 56 1HG GLU 508 1HG GLU 508 -10.365 0.703 4.118 57 2HG GLU 508 2HG GLU 508 -9.935 1.159 5.757 58 H GLU 509 H GLU 509 -6.453 3.513 2.592 59 HA GLU 509 HA GLU 509 -8.146 5.372 1.143 60 1HB GLU 509 1HB GLU 509 -7.246 7.239 2.516 61 2HB GLU 509 2HB GLU 509 -8.209 6.117 3.469 62 1HG GLU 509 1HG GLU 509 -5.936 5.058 4.082 63 2HG GLU 509 2HG GLU 509 -5.261 6.563 3.446 64 HA PRO 510 HA PRO 510 -4.404 5.419 -1.313 65 1HB PRO 510 1HB PRO 510 -5.149 7.180 -3.180 66 2HB PRO 510 2HB PRO 510 -5.898 5.582 -3.085 67 1HG PRO 510 1HG PRO 510 -6.927 8.220 -2.114 68 2HG PRO 510 2HG PRO 510 -7.792 6.930 -2.961 69 1HD PRO 510 1HD PRO 510 -7.887 7.307 -0.239 70 2HD PRO 510 2HD PRO 510 -8.156 5.742 -1.032 71 H VAL 511 H VAL 511 -5.705 8.118 0.343 72 HA VAL 511 HA VAL 511 -3.119 9.481 0.302 73 HB VAL 511 HB VAL 511 -5.816 10.860 -0.137 74 1HG1 VAL 511 1HG1 VAL 511 -4.566 12.941 -0.180 75 2HG1 VAL 511 2HG1 VAL 511 -3.113 12.055 0.289 76 3HG1 VAL 511 3HG1 VAL 511 -4.489 12.141 1.391 77 1HG2 VAL 511 1HG2 VAL 511 -3.361 10.913 -1.846 78 2HG2 VAL 511 2HG2 VAL 511 -4.934 11.626 -2.218 79 3HG2 VAL 511 3HG2 VAL 511 -4.746 9.860 -2.146 80 H THR 512 H THR 512 -2.532 10.059 2.263 81 HA THR 512 HA THR 512 -4.607 10.239 4.250 82 HB THR 512 HB THR 512 -3.549 7.930 4.366 83 HG1 THR 512 HG1 THR 512 -4.479 8.464 6.100 84 1HG2 THR 512 1HG2 THR 512 -1.321 7.731 5.385 85 2HG2 THR 512 2HG2 THR 512 -1.162 9.486 5.351 86 3HG2 THR 512 3HG2 THR 512 -1.254 8.584 3.834 87 H HIS 513 H HIS 513 -4.259 11.788 5.734 88 HA HIS 513 HA HIS 513 -1.869 13.410 5.309 89 1HB HIS 513 1HB HIS 513 -4.671 14.188 6.082 90 2HB HIS 513 2HB HIS 513 -3.303 15.246 6.423 91 HD1 HIS 513 HD1 HIS 513 -3.176 16.993 4.723 92 HD2 HIS 513 HD2 HIS 513 -4.416 13.379 3.120 93 HE1 HIS 513 HE1 HIS 513 -3.382 17.341 2.189 94 H VAL 514 H VAL 514 -0.507 13.581 6.854 95 HA VAL 514 HA VAL 514 -1.352 12.869 9.566 96 HB VAL 514 HB VAL 514 0.689 11.636 9.962 97 1HG1 VAL 514 1HG1 VAL 514 -0.569 10.717 7.392 98 2HG1 VAL 514 2HG1 VAL 514 -1.044 10.255 9.032 99 3HG1 VAL 514 3HG1 VAL 514 0.512 9.743 8.372 100 1HG2 VAL 514 1HG2 VAL 514 2.374 11.214 8.213 101 2HG2 VAL 514 2HG2 VAL 514 2.231 12.923 8.621 102 3HG2 VAL 514 3HG2 VAL 514 1.500 12.308 7.136 103 H SER 515 H SER 515 0.025 13.840 11.188 104 HA SER 515 HA SER 515 0.728 16.520 10.423 105 1HB SER 515 1HB SER 515 -0.477 15.996 12.536 106 2HB SER 515 2HB SER 515 0.926 15.099 13.083 107 HG SER 515 HG SER 515 0.462 17.680 13.308 108 H GLU 516 H GLU 516 2.806 17.414 10.779 109 HA GLU 516 HA GLU 516 4.999 15.558 10.441 110 1HB GLU 516 1HB GLU 516 4.905 17.847 9.319 111 2HB GLU 516 2HB GLU 516 5.205 18.546 10.905 112 1HG GLU 516 1HG GLU 516 7.323 17.238 11.017 113 2HG GLU 516 2HG GLU 516 7.042 16.723 9.359 114 H SER 517 H SER 517 3.240 16.701 12.994 115 HA SER 517 HA SER 517 5.457 16.763 14.877 116 1HB SER 517 1HB SER 517 3.724 18.587 14.809 117 2HB SER 517 2HB SER 517 2.525 17.401 15.306 118 HG SER 517 HG SER 517 4.525 17.212 17.000 119 H ILE 518 H ILE 518 4.087 14.396 13.471 120 HA ILE 518 HA ILE 518 3.097 12.921 15.799 121 HB ILE 518 HB ILE 518 1.821 13.067 13.548 122 1HG1 ILE 518 1HG1 ILE 518 2.400 10.306 14.618 123 2HG1 ILE 518 2HG1 ILE 518 1.344 11.470 15.413 124 1HG2 ILE 518 1HG2 ILE 518 2.458 11.392 11.861 125 2HG2 ILE 518 2HG2 ILE 518 3.915 11.029 12.790 126 3HG2 ILE 518 3HG2 ILE 518 3.704 12.626 12.073 127 1HD1 ILE 518 1HD1 ILE 518 -0.025 11.552 13.438 128 2HD1 ILE 518 2HD1 ILE 518 0.045 9.919 14.147 129 3HD1 ILE 518 3HD1 ILE 518 0.980 10.310 12.683 130 H GLY 519 H GLY 519 3.930 10.702 16.051 131 1HA GLY 519 1HA GLY 519 6.775 10.557 15.437 132 2HA GLY 519 2HA GLY 519 5.887 9.556 16.585 133 H ILE 520 H ILE 520 4.196 8.162 15.598 134 HA ILE 520 HA ILE 520 5.236 6.938 13.142 135 HB ILE 520 HB ILE 520 3.885 5.672 15.541 136 1HG1 ILE 520 1HG1 ILE 520 6.294 6.081 15.832 137 2HG1 ILE 520 2HG1 ILE 520 5.937 4.360 15.772 138 1HG2 ILE 520 1HG2 ILE 520 4.636 4.334 12.945 139 2HG2 ILE 520 2HG2 ILE 520 3.003 4.656 13.517 140 3HG2 ILE 520 3HG2 ILE 520 4.032 3.512 14.387 141 1HD1 ILE 520 1HD1 ILE 520 7.101 6.039 13.563 142 2HD1 ILE 520 2HD1 ILE 520 6.639 4.358 13.397 143 3HD1 ILE 520 3HD1 ILE 520 7.938 4.809 14.514 144 H MET 521 H MET 521 3.881 6.997 11.505 145 HA MET 521 HA MET 521 1.034 7.271 12.127 146 1HB MET 521 1HB MET 521 0.660 8.170 9.897 147 2HB MET 521 2HB MET 521 1.934 9.093 10.657 148 1HG MET 521 1HG MET 521 2.626 8.867 8.451 149 2HG MET 521 2HG MET 521 3.528 7.608 9.283 150 1HE MET 521 1HE MET 521 3.964 6.739 6.668 151 2HE MET 521 2HE MET 521 2.826 7.916 6.028 152 3HE MET 521 3HE MET 521 2.642 6.225 5.625 153 H GLU 522 H GLU 522 -0.400 5.838 11.409 154 HA GLU 522 HA GLU 522 0.700 3.440 10.131 155 1HB GLU 522 1HB GLU 522 -1.246 3.638 12.402 156 2HB GLU 522 2HB GLU 522 -1.023 2.179 11.467 157 1HG GLU 522 1HG GLU 522 1.271 2.053 12.123 158 2HG GLU 522 2HG GLU 522 1.140 3.570 13.034 159 H VAL 523 H VAL 523 -0.448 2.569 8.565 160 HA VAL 523 HA VAL 523 -3.030 3.810 7.864 161 HB VAL 523 HB VAL 523 -0.908 2.774 5.973 162 1HG1 VAL 523 1HG1 VAL 523 -3.171 2.603 5.069 163 2HG1 VAL 523 2HG1 VAL 523 -2.236 3.820 4.209 164 3HG1 VAL 523 3HG1 VAL 523 -3.446 4.315 5.397 165 1HG2 VAL 523 1HG2 VAL 523 -0.239 4.795 7.211 166 2HG2 VAL 523 2HG2 VAL 523 -1.629 5.655 6.520 167 3HG2 VAL 523 3HG2 VAL 523 -0.348 5.012 5.481 168 H LYS 524 H LYS 524 -4.634 2.409 7.307 169 HA LYS 524 HA LYS 524 -4.254 -0.350 8.019 170 1HB LYS 524 1HB LYS 524 -6.673 1.251 7.279 171 2HB LYS 524 2HB LYS 524 -6.735 -0.486 7.532 172 1HG LYS 524 1HG LYS 524 -5.667 1.429 9.547 173 2HG LYS 524 2HG LYS 524 -7.374 0.932 9.513 174 1HD LYS 524 1HD LYS 524 -6.629 -1.407 9.757 175 2HD LYS 524 2HD LYS 524 -4.958 -0.865 9.841 176 1HE LYS 524 1HE LYS 524 -5.868 -1.329 12.042 177 2HE LYS 524 2HE LYS 524 -5.438 0.377 11.861 178 1HZ LYS 524 1HZ LYS 524 -7.794 0.884 11.527 179 2HZ LYS 524 2HZ LYS 524 -7.551 0.099 12.986 180 3HZ LYS 524 3HZ LYS 524 -8.190 -0.754 11.691 181 H VAL 525 H VAL 525 -4.102 -1.987 6.827 182 HA VAL 525 HA VAL 525 -4.483 -1.744 3.921 183 HB VAL 525 HB VAL 525 -2.853 -3.876 5.284 184 1HG1 VAL 525 1HG1 VAL 525 -3.476 -4.325 2.986 185 2HG1 VAL 525 2HG1 VAL 525 -1.735 -4.061 3.112 186 3HG1 VAL 525 3HG1 VAL 525 -2.778 -2.784 2.482 187 1HG2 VAL 525 1HG2 VAL 525 -0.828 -2.578 4.832 188 2HG2 VAL 525 2HG2 VAL 525 -1.908 -1.792 5.987 189 3HG2 VAL 525 3HG2 VAL 525 -1.834 -1.217 4.320 190 H LEU 526 H LEU 526 -5.878 -3.140 3.009 191 HA LEU 526 HA LEU 526 -7.398 -4.796 4.825 192 1HB LEU 526 1HB LEU 526 -7.851 -4.197 1.883 193 2HB LEU 526 2HB LEU 526 -8.922 -5.142 2.895 194 HG LEU 526 HG LEU 526 -9.925 -2.991 2.622 195 1HD1 LEU 526 1HD1 LEU 526 -10.196 -3.845 4.834 196 2HD1 LEU 526 2HD1 LEU 526 -10.028 -2.080 4.868 197 3HD1 LEU 526 3HD1 LEU 526 -8.676 -3.096 5.336 198 1HD2 LEU 526 1HD2 LEU 526 -7.347 -1.770 3.542 199 2HD2 LEU 526 2HD2 LEU 526 -8.850 -0.904 3.224 200 3HD2 LEU 526 3HD2 LEU 526 -8.004 -1.715 1.908 201 H ARG 527 H ARG 527 -7.559 -6.995 4.641 202 HA ARG 527 HA ARG 527 -5.147 -8.186 3.520 203 1HB ARG 527 1HB ARG 527 -5.702 -8.455 5.939 204 2HB ARG 527 2HB ARG 527 -7.157 -9.317 5.476 205 1HG ARG 527 1HG ARG 527 -5.753 -11.044 4.407 206 2HG ARG 527 2HG ARG 527 -4.319 -10.188 4.965 207 1HD ARG 527 1HD ARG 527 -4.799 -11.991 6.483 208 2HD ARG 527 2HD ARG 527 -5.127 -10.453 7.284 209 HE ARG 527 HE ARG 527 -7.531 -11.087 6.303 210 1HH1 ARG 527 1HH1 ARG 527 -5.262 -12.948 8.294 211 2HH1 ARG 527 2HH1 ARG 527 -6.453 -13.997 8.907 212 1HH2 ARG 527 1HH2 ARG 527 -9.139 -12.492 7.125 213 2HH2 ARG 527 2HH2 ARG 527 -8.739 -13.733 8.232 214 H THR 528 H THR 528 -5.282 -10.223 2.453 215 HA THR 528 HA THR 528 -7.107 -10.451 0.396 216 HB THR 528 HB THR 528 -4.980 -11.545 0.204 217 HG1 THR 528 HG1 THR 528 -5.695 -13.630 -0.503 218 1HG2 THR 528 1HG2 THR 528 -5.845 -13.352 2.471 219 2HG2 THR 528 2HG2 THR 528 -4.586 -12.117 2.562 220 3HG2 THR 528 3HG2 THR 528 -4.364 -13.532 1.531 221 H SER 529 H SER 529 -8.872 -11.740 0.011 222 HA SER 529 HA SER 529 -10.421 -12.382 2.320 223 1HB SER 529 1HB SER 529 -11.399 -11.295 0.303 224 2HB SER 529 2HB SER 529 -11.036 -12.753 -0.620 225 HG SER 529 HG SER 529 -12.521 -13.031 1.732 226 H GLY 530 H GLY 530 -8.167 -13.902 0.371 227 1HA GLY 530 1HA GLY 530 -9.131 -16.588 1.071 228 2HA GLY 530 2HA GLY 530 -8.021 -16.229 -0.253 229 H ALA 531 H ALA 531 -8.199 -15.335 3.144 230 HA ALA 531 HA ALA 531 -5.344 -15.644 3.366 231 1HB ALA 531 1HB ALA 531 -5.614 -14.800 5.638 232 2HB ALA 531 2HB ALA 531 -7.366 -14.872 5.467 233 3HB ALA 531 3HB ALA 531 -6.432 -13.745 4.486 234 H ARG 532 H ARG 532 -4.914 -17.680 3.196 235 HA ARG 532 HA ARG 532 -5.826 -19.479 5.304 236 1HB ARG 532 1HB ARG 532 -5.827 -21.266 3.538 237 2HB ARG 532 2HB ARG 532 -7.183 -20.152 3.604 238 1HG ARG 532 1HG ARG 532 -6.589 -20.627 1.388 239 2HG ARG 532 2HG ARG 532 -6.249 -18.924 1.716 240 1HD ARG 532 1HD ARG 532 -3.959 -19.346 1.950 241 2HD ARG 532 2HD ARG 532 -4.215 -21.083 1.923 242 HE ARG 532 HE ARG 532 -4.907 -19.413 -0.414 243 1HH1 ARG 532 1HH1 ARG 532 -2.791 -21.955 0.885 244 2HH1 ARG 532 2HH1 ARG 532 -2.010 -22.245 -0.581 245 1HH2 ARG 532 1HH2 ARG 532 -3.799 -19.817 -2.455 246 2HH2 ARG 532 2HH2 ARG 532 -2.622 -21.029 -2.536 247 H GLY 533 H GLY 533 -3.382 -17.896 5.007 248 1HA GLY 533 1HA GLY 533 -1.527 -19.761 5.683 249 2HA GLY 533 2HA GLY 533 -1.384 -19.531 3.944 250 H ASN 534 H ASN 534 0.752 -18.782 4.676 251 HA ASN 534 HA ASN 534 0.734 -16.064 5.762 252 1HB ASN 534 1HB ASN 534 2.051 -17.709 6.969 253 2HB ASN 534 2HB ASN 534 2.942 -18.116 5.511 254 1HD2 ASN 534 1HD2 ASN 534 2.125 -14.795 6.481 255 2HD2 ASN 534 2HD2 ASN 534 3.758 -14.385 6.830 256 H VAL 535 H VAL 535 1.046 -14.411 4.444 257 HA VAL 535 HA VAL 535 2.436 -14.805 1.882 258 HB VAL 535 HB VAL 535 -0.044 -13.087 2.345 259 1HG1 VAL 535 1HG1 VAL 535 1.537 -13.523 -0.195 260 2HG1 VAL 535 2HG1 VAL 535 1.460 -12.013 0.712 261 3HG1 VAL 535 3HG1 VAL 535 0.024 -12.634 -0.094 262 1HG2 VAL 535 1HG2 VAL 535 -1.090 -14.623 0.703 263 2HG2 VAL 535 2HG2 VAL 535 -0.600 -15.417 2.210 264 3HG2 VAL 535 3HG2 VAL 535 0.398 -15.581 0.763 265 H ILE 536 H ILE 536 3.909 -13.315 1.399 266 HA ILE 536 HA ILE 536 4.416 -11.176 3.346 267 HB ILE 536 HB ILE 536 6.181 -12.590 1.348 268 1HG1 ILE 536 1HG1 ILE 536 5.899 -13.699 3.496 269 2HG1 ILE 536 2HG1 ILE 536 7.558 -13.137 3.300 270 1HG2 ILE 536 1HG2 ILE 536 8.045 -11.110 2.009 271 2HG2 ILE 536 2HG2 ILE 536 6.873 -10.102 2.867 272 3HG2 ILE 536 3HG2 ILE 536 6.762 -10.283 1.120 273 1HD1 ILE 536 1HD1 ILE 536 5.406 -11.842 4.969 274 2HD1 ILE 536 2HD1 ILE 536 7.042 -11.225 4.757 275 3HD1 ILE 536 3HD1 ILE 536 6.778 -12.774 5.558 276 H VAL 537 H VAL 537 4.083 -9.125 2.795 277 HA VAL 537 HA VAL 537 3.921 -8.457 -0.068 278 HB VAL 537 HB VAL 537 2.475 -7.025 2.179 279 1HG1 VAL 537 1HG1 VAL 537 2.929 -5.614 0.263 280 2HG1 VAL 537 2HG1 VAL 537 1.203 -5.942 0.387 281 3HG1 VAL 537 3HG1 VAL 537 2.180 -6.795 -0.809 282 1HG2 VAL 537 1HG2 VAL 537 0.387 -8.050 1.331 283 2HG2 VAL 537 2HG2 VAL 537 1.514 -9.237 1.988 284 3HG2 VAL 537 3HG2 VAL 537 1.348 -9.058 0.247 285 HA PRO 538 HA PRO 538 7.364 -5.905 1.524 286 1HB PRO 538 1HB PRO 538 8.428 -5.335 -0.904 287 2HB PRO 538 2HB PRO 538 8.746 -6.861 -0.071 288 1HG PRO 538 1HG PRO 538 6.849 -6.271 -2.294 289 2HG PRO 538 2HG PRO 538 7.887 -7.686 -2.046 290 1HD PRO 538 1HD PRO 538 5.219 -7.650 -1.492 291 2HD PRO 538 2HD PRO 538 6.375 -8.700 -0.647 292 H TYR 539 H TYR 539 7.680 -3.682 1.512 293 HA TYR 539 HA TYR 539 6.100 -2.039 -0.297 294 1HB TYR 539 1HB TYR 539 5.006 -0.771 1.449 295 2HB TYR 539 2HB TYR 539 4.628 -2.473 1.658 296 HD1 TYR 539 HD1 TYR 539 5.499 -3.716 3.551 297 HD2 TYR 539 HD2 TYR 539 6.338 0.419 3.100 298 HE1 TYR 539 HE1 TYR 539 6.179 -3.602 5.903 299 HE2 TYR 539 HE2 TYR 539 7.038 0.547 5.442 300 HH TYR 539 HH TYR 539 7.568 -2.224 7.338 301 H LYS 540 H LYS 540 6.765 0.195 -0.248 302 HA LYS 540 HA LYS 540 9.133 0.799 1.299 303 1HB LYS 540 1HB LYS 540 10.468 1.471 -0.610 304 2HB LYS 540 2HB LYS 540 10.068 -0.237 -0.703 305 1HG LYS 540 1HG LYS 540 8.321 0.265 -2.337 306 2HG LYS 540 2HG LYS 540 8.732 1.976 -2.234 307 1HD LYS 540 1HD LYS 540 10.970 1.507 -2.974 308 2HD LYS 540 2HD LYS 540 10.602 -0.219 -3.082 309 1HE LYS 540 1HE LYS 540 8.825 0.313 -4.719 310 2HE LYS 540 2HE LYS 540 9.326 2.003 -4.666 311 1HZ LYS 540 1HZ LYS 540 10.295 0.849 -6.561 312 2HZ LYS 540 2HZ LYS 540 11.007 -0.280 -5.537 313 3HZ LYS 540 3HZ LYS 540 11.514 1.331 -5.499 314 H THR 541 H THR 541 9.656 2.972 1.344 315 HA THR 541 HA THR 541 7.454 4.773 0.780 316 HB THR 541 HB THR 541 8.988 6.364 2.073 317 HG1 THR 541 HG1 THR 541 10.819 4.848 1.782 318 1HG2 THR 541 1HG2 THR 541 7.011 5.371 3.103 319 2HG2 THR 541 2HG2 THR 541 8.346 5.398 4.263 320 3HG2 THR 541 3HG2 THR 541 7.920 3.900 3.449 321 H ILE 542 H ILE 542 7.515 5.711 -1.184 322 HA ILE 542 HA ILE 542 10.042 6.312 -2.452 323 HB ILE 542 HB ILE 542 7.218 7.097 -3.278 324 1HG1 ILE 542 1HG1 ILE 542 7.674 5.455 -5.234 325 2HG1 ILE 542 2HG1 ILE 542 8.972 4.828 -4.233 326 1HG2 ILE 542 1HG2 ILE 542 8.793 8.684 -4.150 327 2HG2 ILE 542 2HG2 ILE 542 8.163 7.695 -5.469 328 3HG2 ILE 542 3HG2 ILE 542 9.782 7.391 -4.832 329 1HD1 ILE 542 1HD1 ILE 542 7.352 4.223 -2.515 330 2HD1 ILE 542 2HD1 ILE 542 6.945 3.479 -4.067 331 3HD1 ILE 542 3HD1 ILE 542 6.063 4.904 -3.503 332 H GLU 543 H GLU 543 11.097 8.046 -1.887 333 HA GLU 543 HA GLU 543 10.353 9.762 0.154 334 1HB GLU 543 1HB GLU 543 12.390 10.238 -1.998 335 2HB GLU 543 2HB GLU 543 12.258 11.156 -0.510 336 1HG GLU 543 1HG GLU 543 12.717 9.121 0.770 337 2HG GLU 543 2HG GLU 543 12.895 8.228 -0.743 338 H GLY 544 H GLY 544 10.385 10.465 -3.327 339 1HA GLY 544 1HA GLY 544 9.129 11.956 -4.525 340 2HA GLY 544 2HA GLY 544 8.126 12.180 -3.101 341 H THR 545 H THR 545 8.387 13.903 -1.877 342 HA THR 545 HA THR 545 10.586 15.721 -2.564 343 HB THR 545 HB THR 545 8.416 16.661 -3.238 344 HG1 THR 545 HG1 THR 545 9.977 18.093 -2.448 345 1HG2 THR 545 1HG2 THR 545 6.947 15.508 -1.709 346 2HG2 THR 545 2HG2 THR 545 6.713 17.247 -1.514 347 3HG2 THR 545 3HG2 THR 545 7.668 16.340 -0.341 348 H ALA 546 H ALA 546 9.633 13.584 -0.314 349 HA ALA 546 HA ALA 546 10.585 15.061 2.005 350 1HB ALA 546 1HB ALA 546 9.577 12.233 1.722 351 2HB ALA 546 2HB ALA 546 8.574 13.605 2.147 352 3HB ALA 546 3HB ALA 546 9.870 13.090 3.238 353 H ARG 547 H ARG 547 12.237 13.657 3.344 354 HA ARG 547 HA ARG 547 14.049 12.281 1.520 355 1HB ARG 547 1HB ARG 547 14.851 14.609 2.009 356 2HB ARG 547 2HB ARG 547 14.942 14.165 3.710 357 1HG ARG 547 1HG ARG 547 17.126 14.029 2.760 358 2HG ARG 547 2HG ARG 547 16.541 12.400 3.123 359 1HD ARG 547 1HD ARG 547 15.858 12.153 0.829 360 2HD ARG 547 2HD ARG 547 16.505 13.748 0.458 361 HE ARG 547 HE ARG 547 18.251 11.659 1.565 362 1HH1 ARG 547 1HH1 ARG 547 17.512 13.902 -1.110 363 2HH1 ARG 547 2HH1 ARG 547 18.909 13.560 -1.980 364 1HH2 ARG 547 1HH2 ARG 547 20.249 11.231 0.344 365 2HH2 ARG 547 2HH2 ARG 547 20.493 12.027 -1.144 366 H GLY 548 H GLY 548 14.509 10.332 2.203 367 1HA GLY 548 1HA GLY 548 13.670 9.439 4.830 368 2HA GLY 548 2HA GLY 548 14.323 8.454 3.523 369 H GLY 549 H GLY 549 15.534 7.457 5.377 370 1HA GLY 549 1HA GLY 549 17.601 7.092 6.239 371 2HA GLY 549 2HA GLY 549 18.150 8.572 5.470 372 H GLY 550 H GLY 550 15.368 8.977 7.432 373 1HA GLY 550 1HA GLY 550 15.144 9.681 9.614 374 2HA GLY 550 2HA GLY 550 16.879 9.493 9.822 375 H GLU 551 H GLU 551 16.082 11.213 7.050 376 HA GLU 551 HA GLU 551 17.205 13.653 8.091 377 1HB GLU 551 1HB GLU 551 15.913 13.045 5.441 378 2HB GLU 551 2HB GLU 551 16.764 14.523 5.844 379 1HG GLU 551 1HG GLU 551 17.986 11.795 5.801 380 2HG GLU 551 2HG GLU 551 17.994 12.942 4.460 381 H ASP 552 H ASP 552 14.287 13.066 6.243 382 HA ASP 552 HA ASP 552 12.895 15.203 7.724 383 1HB ASP 552 1HB ASP 552 13.332 15.300 5.156 384 2HB ASP 552 2HB ASP 552 12.095 14.054 5.060 385 H PHE 553 H PHE 553 12.757 11.948 6.432 386 HA PHE 553 HA PHE 553 10.944 11.302 8.551 387 1HB PHE 553 1HB PHE 553 9.327 10.179 7.247 388 2HB PHE 553 2HB PHE 553 9.562 11.729 6.471 389 HD1 PHE 553 HD1 PHE 553 11.109 11.753 4.408 390 HD2 PHE 553 HD2 PHE 553 9.449 8.238 6.074 391 HE1 PHE 553 HE1 PHE 553 11.404 10.597 2.248 392 HE2 PHE 553 HE2 PHE 553 9.743 7.066 3.933 393 HZ PHE 553 HZ PHE 553 10.723 8.247 2.013 394 H GLU 554 H GLU 554 10.813 8.907 8.759 395 HA GLU 554 HA GLU 554 13.454 7.769 8.317 396 1HB GLU 554 1HB GLU 554 12.097 7.940 10.546 397 2HB GLU 554 2HB GLU 554 11.147 6.651 9.863 398 1HG GLU 554 1HG GLU 554 14.093 6.517 10.429 399 2HG GLU 554 2HG GLU 554 12.820 5.917 11.483 400 H ASP 555 H ASP 555 13.526 6.754 6.403 401 HA ASP 555 HA ASP 555 11.132 6.018 5.012 402 1HB ASP 555 1HB ASP 555 12.485 5.440 3.143 403 2HB ASP 555 2HB ASP 555 13.205 6.872 3.850 404 H THR 556 H THR 556 10.581 3.955 4.304 405 HA THR 556 HA THR 556 11.846 1.875 5.773 406 HB THR 556 HB THR 556 10.184 2.470 7.343 407 HG1 THR 556 HG1 THR 556 8.930 0.583 7.449 408 1HG2 THR 556 1HG2 THR 556 7.761 2.452 6.805 409 2HG2 THR 556 2HG2 THR 556 8.193 2.426 5.079 410 3HG2 THR 556 3HG2 THR 556 8.671 3.780 6.112 411 H CYS 557 H CYS 557 12.022 0.095 4.723 412 HA CYS 557 HA CYS 557 10.167 -0.598 2.643 413 1HB CYS 557 1HB CYS 557 12.093 -1.239 1.131 414 2HB CYS 557 2HB CYS 557 11.882 0.492 1.341 415 HG CYS 557 HG CYS 557 14.130 -1.343 3.085 416 H GLY 558 H GLY 558 9.399 -2.422 3.446 417 1HA GLY 558 1HA GLY 558 11.219 -4.465 4.241 418 2HA GLY 558 2HA GLY 558 10.158 -3.837 5.504 419 H GLU 559 H GLU 559 8.931 -5.625 5.713 420 HA GLU 559 HA GLU 559 7.270 -6.354 3.412 421 1HB GLU 559 1HB GLU 559 8.779 -8.206 5.196 422 2HB GLU 559 2HB GLU 559 7.588 -8.713 3.999 423 1HG GLU 559 1HG GLU 559 9.034 -7.974 2.218 424 2HG GLU 559 2HG GLU 559 10.152 -7.255 3.376 425 H LEU 560 H LEU 560 5.230 -6.564 3.971 426 HA LEU 560 HA LEU 560 4.486 -6.657 6.777 427 1HB LEU 560 1HB LEU 560 2.881 -6.334 4.246 428 2HB LEU 560 2HB LEU 560 2.178 -6.416 5.844 429 HG LEU 560 HG LEU 560 4.044 -4.263 4.844 430 1HD1 LEU 560 1HD1 LEU 560 2.133 -2.812 4.929 431 2HD1 LEU 560 2HD1 LEU 560 1.097 -4.138 5.434 432 3HD1 LEU 560 3HD1 LEU 560 1.830 -4.153 3.824 433 1HD2 LEU 560 1HD2 LEU 560 3.423 -3.104 6.950 434 2HD2 LEU 560 2HD2 LEU 560 4.370 -4.564 7.199 435 3HD2 LEU 560 3HD2 LEU 560 2.637 -4.589 7.498 436 H GLU 561 H GLU 561 4.018 -8.509 7.678 437 HA GLU 561 HA GLU 561 3.819 -10.849 5.964 438 1HB GLU 561 1HB GLU 561 5.534 -10.767 7.755 439 2HB GLU 561 2HB GLU 561 4.253 -10.646 8.947 440 1HG GLU 561 1HG GLU 561 3.431 -12.852 8.275 441 2HG GLU 561 2HG GLU 561 4.733 -12.946 7.085 442 H PHE 562 H PHE 562 1.831 -11.446 5.452 443 HA PHE 562 HA PHE 562 -0.311 -11.040 7.401 444 1HB PHE 562 1HB PHE 562 -0.361 -11.500 4.431 445 2HB PHE 562 2HB PHE 562 -1.796 -11.679 5.425 446 HD1 PHE 562 HD1 PHE 562 -2.815 -9.762 6.486 447 HD2 PHE 562 HD2 PHE 562 0.561 -9.364 3.939 448 HE1 PHE 562 HE1 PHE 562 -3.299 -7.363 6.220 449 HE2 PHE 562 HE2 PHE 562 0.094 -6.963 3.673 450 HZ PHE 562 HZ PHE 562 -1.841 -5.962 4.812 451 H GLN 563 H GLN 563 -1.600 -12.786 8.008 452 HA GLN 563 HA GLN 563 -0.735 -15.431 7.124 453 1HB GLN 563 1HB GLN 563 -1.120 -14.652 10.032 454 2HB GLN 563 2HB GLN 563 -0.648 -16.232 9.436 455 1HG GLN 563 1HG GLN 563 1.432 -15.250 8.578 456 2HG GLN 563 2HG GLN 563 0.941 -13.701 9.259 457 1HE2 GLN 563 1HE2 GLN 563 2.150 -16.859 9.922 458 2HE2 GLN 563 2HE2 GLN 563 2.559 -16.583 11.569 459 H ASN 564 H ASN 564 -2.379 -17.025 8.280 460 HA ASN 564 HA ASN 564 -5.009 -16.211 7.497 461 1HB ASN 564 1HB ASN 564 -4.320 -18.547 7.254 462 2HB ASN 564 2HB ASN 564 -4.013 -18.662 8.977 463 1HD2 ASN 564 1HD2 ASN 564 -5.402 -20.408 9.132 464 2HD2 ASN 564 2HD2 ASN 564 -7.113 -20.267 9.080 465 H ASP 565 H ASP 565 -3.231 -16.510 10.410 466 HA ASP 565 HA ASP 565 -5.521 -15.838 12.081 467 1HB ASP 565 1HB ASP 565 -3.931 -16.034 13.999 468 2HB ASP 565 2HB ASP 565 -4.030 -17.487 13.016 469 H GLU 566 H GLU 566 -2.597 -14.317 10.945 470 HA GLU 566 HA GLU 566 -2.969 -11.899 12.450 471 1HB GLU 566 1HB GLU 566 -0.728 -12.673 11.646 472 2HB GLU 566 2HB GLU 566 -1.279 -12.436 9.996 473 1HG GLU 566 1HG GLU 566 0.153 -10.622 10.656 474 2HG GLU 566 2HG GLU 566 -1.486 -10.035 10.408 475 H ILE 567 H ILE 567 -4.529 -10.418 11.961 476 HA ILE 567 HA ILE 567 -5.501 -10.355 9.203 477 HB ILE 567 HB ILE 567 -7.552 -9.354 10.026 478 1HG1 ILE 567 1HG1 ILE 567 -6.827 -9.887 12.864 479 2HG1 ILE 567 2HG1 ILE 567 -6.196 -8.426 12.110 480 1HG2 ILE 567 1HG2 ILE 567 -6.837 -11.850 11.542 481 2HG2 ILE 567 2HG2 ILE 567 -7.387 -11.761 9.875 482 3HG2 ILE 567 3HG2 ILE 567 -8.482 -11.288 11.189 483 1HD1 ILE 567 1HD1 ILE 567 -8.278 -7.999 13.273 484 2HD1 ILE 567 2HD1 ILE 567 -9.081 -9.206 12.250 485 3HD1 ILE 567 3HD1 ILE 567 -8.378 -7.744 11.530 486 H VAL 568 H VAL 568 -6.293 -8.198 8.568 487 HA VAL 568 HA VAL 568 -5.573 -6.228 7.740 488 HB VAL 568 HB VAL 568 -6.980 -5.881 9.909 489 1HG1 VAL 568 1HG1 VAL 568 -4.424 -4.753 10.939 490 2HG1 VAL 568 2HG1 VAL 568 -5.405 -6.045 11.634 491 3HG1 VAL 568 3HG1 VAL 568 -6.011 -4.385 11.603 492 1HG2 VAL 568 1HG2 VAL 568 -6.951 -3.420 9.637 493 2HG2 VAL 568 2HG2 VAL 568 -7.007 -4.282 8.097 494 3HG2 VAL 568 3HG2 VAL 568 -5.507 -3.555 8.634 495 H LYS 569 H LYS 569 -3.905 -4.137 8.498 496 HA LYS 569 HA LYS 569 -1.499 -4.915 9.720 497 1HB LYS 569 1HB LYS 569 -1.582 -5.979 7.264 498 2HB LYS 569 2HB LYS 569 -1.123 -4.351 6.821 499 1HG LYS 569 1HG LYS 569 0.873 -5.487 6.912 500 2HG LYS 569 2HG LYS 569 0.827 -4.669 8.484 501 1HD LYS 569 1HD LYS 569 -0.134 -7.507 8.153 502 2HD LYS 569 2HD LYS 569 1.581 -7.168 8.286 503 1HE LYS 569 1HE LYS 569 -0.419 -6.256 10.339 504 2HE LYS 569 2HE LYS 569 0.361 -7.829 10.407 505 1HZ LYS 569 1HZ LYS 569 1.483 -6.248 11.792 506 2HZ LYS 569 2HZ LYS 569 1.732 -5.169 10.565 507 3HZ LYS 569 3HZ LYS 569 2.522 -6.662 10.566 508 H THR 570 H THR 570 -0.062 -3.080 9.742 509 HA THR 570 HA THR 570 -1.107 -0.665 8.540 510 HB THR 570 HB THR 570 -0.242 0.562 10.583 511 HG1 THR 570 HG1 THR 570 0.040 -0.490 12.466 512 1HG2 THR 570 1HG2 THR 570 -2.654 -1.207 11.028 513 2HG2 THR 570 2HG2 THR 570 -2.636 0.356 10.196 514 3HG2 THR 570 3HG2 THR 570 -2.256 0.270 11.916 515 H ILE 571 H ILE 571 0.430 0.524 7.595 516 HA ILE 571 HA ILE 571 3.188 -0.361 7.833 517 HB ILE 571 HB ILE 571 2.002 1.909 6.146 518 1HG1 ILE 571 1HG1 ILE 571 2.837 0.507 4.207 519 2HG1 ILE 571 2HG1 ILE 571 3.073 -0.801 5.354 520 1HG2 ILE 571 1HG2 ILE 571 4.172 2.184 5.144 521 2HG2 ILE 571 2HG2 ILE 571 4.829 0.910 6.171 522 3HG2 ILE 571 3HG2 ILE 571 4.266 2.416 6.894 523 1HD1 ILE 571 1HD1 ILE 571 1.003 -0.995 4.097 524 2HD1 ILE 571 2HD1 ILE 571 0.462 0.548 4.779 525 3HD1 ILE 571 3HD1 ILE 571 0.730 -0.840 5.829 526 H SER 572 H SER 572 4.293 0.369 9.529 527 HA SER 572 HA SER 572 3.471 2.857 10.754 528 1HB SER 572 1HB SER 572 5.118 2.014 12.538 529 2HB SER 572 2HB SER 572 3.631 1.093 12.310 530 HG SER 572 HG SER 572 6.198 0.503 11.257 531 H VAL 573 H VAL 573 4.442 4.634 10.058 532 HA VAL 573 HA VAL 573 7.278 4.467 9.266 533 HB VAL 573 HB VAL 573 5.247 6.432 8.169 534 1HG1 VAL 573 1HG1 VAL 573 6.993 7.034 6.539 535 2HG1 VAL 573 2HG1 VAL 573 8.108 5.934 7.350 536 3HG1 VAL 573 3HG1 VAL 573 7.503 7.353 8.200 537 1HG2 VAL 573 1HG2 VAL 573 5.483 5.214 6.034 538 2HG2 VAL 573 2HG2 VAL 573 4.759 4.257 7.323 539 3HG2 VAL 573 3HG2 VAL 573 6.453 4.001 6.877 540 H LYS 574 H LYS 574 8.611 5.910 10.122 541 HA LYS 574 HA LYS 574 7.558 7.613 12.258 542 1HB LYS 574 1HB LYS 574 9.319 6.115 12.903 543 2HB LYS 574 2HB LYS 574 10.357 6.662 11.608 544 1HG LYS 574 1HG LYS 574 10.395 8.907 12.704 545 2HG LYS 574 2HG LYS 574 9.539 8.199 14.072 546 1HD LYS 574 1HD LYS 574 12.210 7.304 12.992 547 2HD LYS 574 2HD LYS 574 11.974 8.288 14.432 548 1HE LYS 574 1HE LYS 574 10.779 6.448 15.505 549 2HE LYS 574 2HE LYS 574 10.936 5.473 14.046 550 1HZ LYS 574 1HZ LYS 574 13.198 6.457 15.707 551 2HZ LYS 574 2HZ LYS 574 13.326 5.498 14.315 552 3HZ LYS 574 3HZ LYS 574 12.607 4.869 15.675 553 H VAL 575 H VAL 575 7.503 9.731 12.092 554 HA VAL 575 HA VAL 575 8.656 11.016 9.722 555 HB VAL 575 HB VAL 575 6.736 12.146 11.811 556 1HG1 VAL 575 1HG1 VAL 575 6.346 13.965 10.211 557 2HG1 VAL 575 2HG1 VAL 575 7.577 13.290 9.144 558 3HG1 VAL 575 3HG1 VAL 575 8.031 13.911 10.733 559 1HG2 VAL 575 1HG2 VAL 575 6.177 11.146 9.019 560 2HG2 VAL 575 2HG2 VAL 575 5.004 11.920 10.081 561 3HG2 VAL 575 3HG2 VAL 575 5.698 10.359 10.522 562 H ILE 576 H ILE 576 10.178 12.764 9.949 563 HA ILE 576 HA ILE 576 11.450 12.837 12.591 564 HB ILE 576 HB ILE 576 12.794 13.386 9.910 565 1HG1 ILE 576 1HG1 ILE 576 12.106 11.019 9.992 566 2HG1 ILE 576 2HG1 ILE 576 13.852 11.193 10.038 567 1HG2 ILE 576 1HG2 ILE 576 13.912 14.418 11.813 568 2HG2 ILE 576 2HG2 ILE 576 14.889 13.109 11.147 569 3HG2 ILE 576 3HG2 ILE 576 13.979 12.857 12.637 570 1HD1 ILE 576 1HD1 ILE 576 12.018 10.579 12.325 571 2HD1 ILE 576 2HD1 ILE 576 13.774 10.785 12.439 572 3HD1 ILE 576 3HD1 ILE 576 13.086 9.459 11.464 573 H ASP 577 H ASP 577 12.471 14.924 13.036 574 HA ASP 577 HA ASP 577 10.743 17.129 12.330 575 1HB ASP 577 1HB ASP 577 12.083 18.455 13.886 576 2HB ASP 577 2HB ASP 577 11.651 16.926 14.634 577 H ASP 578 H ASP 578 11.341 18.967 11.169 578 HA ASP 578 HA ASP 578 12.803 18.380 8.859 579 1HB ASP 578 1HB ASP 578 11.513 20.837 9.777 580 2HB ASP 578 2HB ASP 578 12.784 21.017 8.574 581 H GLU 579 H GLU 579 14.584 18.763 8.008 582 HA GLU 579 HA GLU 579 16.766 19.581 9.732 583 1HB GLU 579 1HB GLU 579 18.094 18.146 8.396 584 2HB GLU 579 2HB GLU 579 16.623 17.279 8.786 585 1HG GLU 579 1HG GLU 579 17.045 18.685 6.149 586 2HG GLU 579 2HG GLU 579 17.539 17.035 6.439 587 H GLU 580 H GLU 580 15.065 20.491 6.754 588 HA GLU 580 HA GLU 580 17.396 22.016 5.923 589 1HB GLU 580 1HB GLU 580 16.759 21.720 3.606 590 2HB GLU 580 2HB GLU 580 16.811 20.155 4.371 591 1HG GLU 580 1HG GLU 580 14.334 21.708 3.541 592 2HG GLU 580 2HG GLU 580 14.985 20.279 2.765 593 H TYR 581 H TYR 581 13.905 22.192 5.355 594 HA TYR 581 HA TYR 581 13.589 24.812 6.300 595 1HB TYR 581 1HB TYR 581 12.920 25.846 4.148 596 2HB TYR 581 2HB TYR 581 14.604 25.358 4.064 597 HD1 TYR 581 HD1 TYR 581 15.331 23.876 2.367 598 HD2 TYR 581 HD2 TYR 581 11.167 24.426 3.005 599 HE1 TYR 581 HE1 TYR 581 14.852 22.650 0.290 600 HE2 TYR 581 HE2 TYR 581 10.665 23.216 0.989 601 HH TYR 581 HH TYR 581 11.951 22.768 -1.235 602 H GLU 582 H GLU 582 11.216 25.227 6.179 603 HA GLU 582 HA GLU 582 10.097 22.582 6.042 604 1HB GLU 582 1HB GLU 582 9.165 24.827 7.783 605 2HB GLU 582 2HB GLU 582 8.509 23.189 7.763 606 1HG GLU 582 1HG GLU 582 10.929 22.443 8.199 607 2HG GLU 582 2HG GLU 582 11.208 24.108 8.675 608 H LYS 583 H LYS 583 8.370 21.969 5.200 609 HA LYS 583 HA LYS 583 6.539 23.705 3.806 610 1HB LYS 583 1HB LYS 583 6.853 22.463 1.683 611 2HB LYS 583 2HB LYS 583 8.323 23.326 2.114 612 1HG LYS 583 1HG LYS 583 9.516 21.410 2.470 613 2HG LYS 583 2HG LYS 583 8.117 20.521 3.059 614 1HD LYS 583 1HD LYS 583 8.830 19.557 0.967 615 2HD LYS 583 2HD LYS 583 7.288 20.364 0.727 616 1HE LYS 583 1HE LYS 583 8.570 22.323 -0.165 617 2HE LYS 583 2HE LYS 583 10.020 21.326 -0.085 618 1HZ LYS 583 1HZ LYS 583 8.918 19.716 -1.583 619 2HZ LYS 583 2HZ LYS 583 9.050 21.236 -2.297 620 3HZ LYS 583 3HZ LYS 583 7.589 20.741 -1.665 621 H ASN 584 H ASN 584 4.710 22.205 3.034 622 HA ASN 584 HA ASN 584 4.584 19.821 4.688 623 1HB ASN 584 1HB ASN 584 2.551 20.943 2.722 624 2HB ASN 584 2HB ASN 584 2.312 19.463 3.640 625 1HD2 ASN 584 1HD2 ASN 584 0.512 21.528 3.768 626 2HD2 ASN 584 2HD2 ASN 584 0.592 22.239 5.340 627 H LYS 585 H LYS 585 5.077 17.890 3.923 628 HA LYS 585 HA LYS 585 5.766 17.848 1.093 629 1HB LYS 585 1HB LYS 585 7.957 17.092 1.461 630 2HB LYS 585 2HB LYS 585 7.730 18.198 2.781 631 1HG LYS 585 1HG LYS 585 7.734 15.201 2.864 632 2HG LYS 585 2HG LYS 585 8.933 16.287 3.549 633 1HD LYS 585 1HD LYS 585 6.102 15.879 4.424 634 2HD LYS 585 2HD LYS 585 7.570 15.229 5.185 635 1HE LYS 585 1HE LYS 585 6.864 18.188 4.995 636 2HE LYS 585 2HE LYS 585 6.596 17.204 6.426 637 1HZ LYS 585 1HZ LYS 585 9.108 16.755 6.241 638 2HZ LYS 585 2HZ LYS 585 8.576 18.213 6.886 639 3HZ LYS 585 3HZ LYS 585 9.163 18.146 5.297 640 H THR 586 H THR 586 6.260 15.318 0.497 641 HA THR 586 HA THR 586 4.466 13.611 1.907 642 HB THR 586 HB THR 586 2.867 14.930 0.691 643 HG1 THR 586 HG1 THR 586 2.518 12.673 0.802 644 1HG2 THR 586 1HG2 THR 586 2.755 15.022 -1.739 645 2HG2 THR 586 2HG2 THR 586 4.295 14.161 -1.856 646 3HG2 THR 586 3HG2 THR 586 4.235 15.782 -1.142 647 H PHE 587 H PHE 587 4.547 11.566 1.418 648 HA PHE 587 HA PHE 587 6.450 10.720 -0.563 649 1HB PHE 587 1HB PHE 587 7.087 8.858 1.162 650 2HB PHE 587 2HB PHE 587 7.886 10.411 1.212 651 HD1 PHE 587 HD1 PHE 587 5.074 8.476 2.906 652 HD2 PHE 587 HD2 PHE 587 7.998 11.564 3.155 653 HE1 PHE 587 HE1 PHE 587 4.694 8.692 5.348 654 HE2 PHE 587 HE2 PHE 587 7.603 11.732 5.567 655 HZ PHE 587 HZ PHE 587 5.951 10.284 6.647 656 H PHE 588 H PHE 588 6.145 8.612 -1.303 657 HA PHE 588 HA PHE 588 3.285 7.887 -1.193 658 1HB PHE 588 1HB PHE 588 5.250 7.027 -3.313 659 2HB PHE 588 2HB PHE 588 3.502 7.021 -3.373 660 HD1 PHE 588 HD1 PHE 588 2.377 9.418 -3.158 661 HD2 PHE 588 HD2 PHE 588 6.373 8.688 -4.391 662 HE1 PHE 588 HE1 PHE 588 2.420 11.604 -4.293 663 HE2 PHE 588 HE2 PHE 588 6.436 10.871 -5.525 664 HZ PHE 588 HZ PHE 588 4.454 12.335 -5.475 665 H LEU 589 H LEU 589 2.748 5.985 -0.433 666 HA LEU 589 HA LEU 589 4.905 4.071 0.141 667 1HB LEU 589 1HB LEU 589 3.130 4.990 1.921 668 2HB LEU 589 2HB LEU 589 2.102 3.795 1.163 669 HG LEU 589 HG LEU 589 2.994 2.915 3.201 670 1HD1 LEU 589 1HD1 LEU 589 2.670 1.288 1.478 671 2HD1 LEU 589 2HD1 LEU 589 4.084 0.875 2.448 672 3HD1 LEU 589 3HD1 LEU 589 4.288 1.585 0.846 673 1HD2 LEU 589 1HD2 LEU 589 4.936 4.258 3.420 674 2HD2 LEU 589 2HD2 LEU 589 5.698 3.468 2.037 675 3HD2 LEU 589 3HD2 LEU 589 5.396 2.558 3.516 676 H GLU 590 H GLU 590 4.980 2.386 -1.193 677 HA GLU 590 HA GLU 590 2.531 1.544 -2.570 678 1HB GLU 590 1HB GLU 590 4.052 2.884 -4.080 679 2HB GLU 590 2HB GLU 590 5.299 1.685 -3.793 680 1HG GLU 590 1HG GLU 590 3.796 -0.036 -4.747 681 2HG GLU 590 2HG GLU 590 2.646 1.239 -5.137 682 H ILE 591 H ILE 591 2.411 -0.658 -2.848 683 HA ILE 591 HA ILE 591 4.369 -2.199 -1.325 684 HB ILE 591 HB ILE 591 2.628 -3.930 -1.082 685 1HG1 ILE 591 1HG1 ILE 591 0.782 -1.899 -2.373 686 2HG1 ILE 591 2HG1 ILE 591 1.276 -3.437 -3.073 687 1HG2 ILE 591 1HG2 ILE 591 1.806 -1.207 -0.083 688 2HG2 ILE 591 2HG2 ILE 591 2.914 -2.325 0.706 689 3HG2 ILE 591 3HG2 ILE 591 1.209 -2.742 0.546 690 1HD1 ILE 591 1HD1 ILE 591 -0.360 -3.060 -0.583 691 2HD1 ILE 591 2HD1 ILE 591 0.116 -4.619 -1.262 692 3HD1 ILE 591 3HD1 ILE 591 -0.980 -3.558 -2.155 693 H GLY 592 H GLY 592 4.987 -4.208 -2.164 694 1HA GLY 592 1HA GLY 592 5.129 -4.091 -5.083 695 2HA GLY 592 2HA GLY 592 6.227 -4.976 -4.035 696 H GLU 593 H GLU 593 6.025 -6.804 -5.185 697 HA GLU 593 HA GLU 593 3.503 -8.024 -5.643 698 1HB GLU 593 1HB GLU 593 4.925 -8.439 -7.377 699 2HB GLU 593 2HB GLU 593 6.335 -8.551 -6.347 700 1HG GLU 593 1HG GLU 593 4.323 -10.682 -6.143 701 2HG GLU 593 2HG GLU 593 5.278 -10.632 -7.632 702 HA PRO 594 HA PRO 594 3.632 -10.138 -1.760 703 1HB PRO 594 1HB PRO 594 1.165 -11.124 -1.800 704 2HB PRO 594 2HB PRO 594 1.425 -9.378 -1.633 705 1HG PRO 594 1HG PRO 594 0.748 -10.945 -4.065 706 2HG PRO 594 2HG PRO 594 -0.004 -9.466 -3.460 707 1HD PRO 594 1HD PRO 594 1.929 -9.503 -5.407 708 2HD PRO 594 2HD PRO 594 1.725 -8.128 -4.303 709 H ARG 595 H ARG 595 3.967 -12.236 -1.233 710 HA ARG 595 HA ARG 595 3.646 -14.215 -3.329 711 1HB ARG 595 1HB ARG 595 5.942 -15.096 -2.812 712 2HB ARG 595 2HB ARG 595 5.884 -13.579 -3.692 713 1HG ARG 595 1HG ARG 595 6.316 -12.373 -1.584 714 2HG ARG 595 2HG ARG 595 6.460 -13.929 -0.759 715 1HD ARG 595 1HD ARG 595 8.644 -12.978 -1.399 716 2HD ARG 595 2HD ARG 595 8.328 -14.539 -2.160 717 HE ARG 595 HE ARG 595 7.480 -12.429 -3.845 718 1HH1 ARG 595 1HH1 ARG 595 10.455 -13.923 -2.643 719 2HH1 ARG 595 2HH1 ARG 595 11.337 -13.622 -4.074 720 1HH2 ARG 595 1HH2 ARG 595 8.720 -11.972 -5.777 721 2HH2 ARG 595 2HH2 ARG 595 10.346 -12.523 -5.876 722 H LEU 596 H LEU 596 3.364 -16.239 -2.652 723 HA LEU 596 HA LEU 596 2.347 -16.469 0.008 724 1HB LEU 596 1HB LEU 596 1.846 -17.629 -2.404 725 2HB LEU 596 2HB LEU 596 2.788 -18.896 -1.626 726 HG LEU 596 HG LEU 596 0.644 -19.538 -1.160 727 1HD1 LEU 596 1HD1 LEU 596 1.251 -17.780 1.176 728 2HD1 LEU 596 2HD1 LEU 596 1.777 -19.444 0.925 729 3HD1 LEU 596 3HD1 LEU 596 0.060 -19.077 1.138 730 1HD2 LEU 596 1HD2 LEU 596 -1.220 -18.025 -0.595 731 2HD2 LEU 596 2HD2 LEU 596 -0.526 -17.717 -2.184 732 3HD2 LEU 596 3HD2 LEU 596 -0.141 -16.648 -0.838 733 H VAL 597 H VAL 597 3.582 -17.150 1.688 734 HA VAL 597 HA VAL 597 6.387 -17.667 1.287 735 HB VAL 597 HB VAL 597 4.768 -18.120 3.820 736 1HG1 VAL 597 1HG1 VAL 597 6.951 -19.208 3.871 737 2HG1 VAL 597 2HG1 VAL 597 6.911 -17.840 4.986 738 3HG1 VAL 597 3HG1 VAL 597 7.731 -17.689 3.433 739 1HG2 VAL 597 1HG2 VAL 597 5.541 -15.888 4.493 740 2HG2 VAL 597 2HG2 VAL 597 4.474 -15.870 3.094 741 3HG2 VAL 597 3HG2 VAL 597 6.220 -15.663 2.872 742 H GLU 598 H GLU 598 3.555 -19.477 2.021 743 HA GLU 598 HA GLU 598 4.926 -22.012 1.887 744 1HB GLU 598 1HB GLU 598 1.981 -21.369 1.980 745 2HB GLU 598 2HB GLU 598 2.736 -22.932 2.285 746 1HG GLU 598 1HG GLU 598 3.708 -22.165 4.306 747 2HG GLU 598 2HG GLU 598 3.271 -20.495 3.957 748 H MET 599 H MET 599 5.655 -22.175 -0.125 749 HA MET 599 HA MET 599 4.200 -21.190 -2.366 750 1HB MET 599 1HB MET 599 5.953 -22.126 -3.802 751 2HB MET 599 2HB MET 599 6.620 -21.157 -2.501 752 1HG MET 599 1HG MET 599 7.293 -23.143 -1.307 753 2HG MET 599 2HG MET 599 6.491 -24.167 -2.494 754 1HE MET 599 1HE MET 599 7.294 -22.615 -5.248 755 2HE MET 599 2HE MET 599 7.273 -24.364 -5.040 756 3HE MET 599 3HE MET 599 8.703 -23.573 -5.698 757 H SER 600 H SER 600 2.481 -22.029 -3.057 758 HA SER 600 HA SER 600 1.403 -24.502 -2.633 759 1HB SER 600 1HB SER 600 1.007 -22.709 -5.011 760 2HB SER 600 2HB SER 600 -0.162 -23.834 -4.304 761 HG SER 600 HG SER 600 0.034 -21.350 -3.723 762 H GLU 601 H GLU 601 1.989 -26.491 -3.413 763 HA GLU 601 HA GLU 601 3.699 -26.675 -5.732 764 1HB GLU 601 1HB GLU 601 4.099 -28.149 -3.762 765 2HB GLU 601 2HB GLU 601 2.525 -28.887 -4.014 766 1HG GLU 601 1HG GLU 601 3.294 -29.718 -6.204 767 2HG GLU 601 2HG GLU 601 4.874 -29.000 -5.905 768 H LYS 602 H LYS 602 2.406 -26.004 -7.399 769 HA LYS 602 HA LYS 602 -0.110 -27.377 -7.834 770 1HB LYS 602 1HB LYS 602 0.199 -24.894 -8.291 771 2HB LYS 602 2HB LYS 602 1.265 -25.348 -9.614 772 1HG LYS 602 1HG LYS 602 -0.562 -26.558 -10.679 773 2HG LYS 602 2HG LYS 602 -1.629 -26.107 -9.350 774 1HD LYS 602 1HD LYS 602 -1.232 -23.718 -9.920 775 2HD LYS 602 2HD LYS 602 -0.296 -24.252 -11.316 776 1HE LYS 602 1HE LYS 602 -3.215 -24.806 -10.786 777 2HE LYS 602 2HE LYS 602 -2.564 -23.704 -11.994 778 1HZ LYS 602 1HZ LYS 602 -2.225 -26.646 -11.934 779 2HZ LYS 602 2HZ LYS 602 -1.518 -25.637 -13.077 780 3HZ LYS 602 3HZ LYS 602 -3.200 -25.793 -12.999 781 H LYS 603 H LYS 603 -0.170 -29.177 -9.042 782 HA LYS 603 HA LYS 603 2.369 -30.149 -9.934 783 1HB LYS 603 1HB LYS 603 0.677 -31.545 -8.706 784 2HB LYS 603 2HB LYS 603 -0.289 -31.539 -10.166 785 1HG LYS 603 1HG LYS 603 0.929 -33.605 -10.086 786 2HG LYS 603 2HG LYS 603 1.599 -32.608 -11.375 787 1HD LYS 603 1HD LYS 603 3.397 -33.663 -10.128 788 2HD LYS 603 2HD LYS 603 3.439 -31.925 -9.876 789 1HE LYS 603 1HE LYS 603 3.830 -33.092 -7.787 790 2HE LYS 603 2HE LYS 603 2.310 -32.222 -7.694 791 1HZ LYS 603 1HZ LYS 603 2.095 -34.436 -6.769 792 2HZ LYS 603 2HZ LYS 603 2.647 -35.138 -8.183 793 3HZ LYS 603 3HZ LYS 603 1.159 -34.356 -8.167 794 H GLY 604 H GLY 604 2.807 -28.779 -11.625 795 1HA GLY 604 1HA GLY 604 1.179 -28.945 -14.023 796 2HA GLY 604 2HA GLY 604 2.686 -28.041 -13.841 797 H GLY 605 H GLY 605 4.206 -30.089 -12.754 798 1HA GLY 605 1HA GLY 605 4.726 -32.419 -13.385 799 2HA GLY 605 2HA GLY 605 4.361 -31.928 -15.037 800 H PHE 606 H PHE 606 6.642 -32.978 -14.985 801 HA PHE 606 HA PHE 606 8.799 -31.352 -14.109 802 1HB PHE 606 1HB PHE 606 8.742 -33.576 -16.163 803 2HB PHE 606 2HB PHE 606 10.205 -32.813 -15.563 804 HD1 PHE 606 HD1 PHE 606 7.557 -35.203 -14.870 805 HD2 PHE 606 HD2 PHE 606 10.921 -33.168 -13.245 806 HE1 PHE 606 HE1 PHE 606 7.636 -36.821 -13.021 807 HE2 PHE 606 HE2 PHE 606 11.006 -34.784 -11.393 808 HZ PHE 606 HZ PHE 606 9.363 -36.614 -11.280 809 H THR 607 H THR 607 9.505 -29.536 -14.974 810 HA THR 607 HA THR 607 9.228 -29.195 -17.837 811 HB THR 607 HB THR 607 9.001 -26.691 -17.266 812 HG1 THR 607 HG1 THR 607 8.945 -27.725 -14.784 813 1HG2 THR 607 1HG2 THR 607 6.684 -28.569 -16.789 814 2HG2 THR 607 2HG2 THR 607 7.227 -27.964 -18.355 815 3HG2 THR 607 3HG2 THR 607 6.540 -26.852 -17.167 816 H ILE 608 H ILE 608 10.828 -27.789 -18.765 817 HA ILE 608 HA ILE 608 13.381 -28.251 -17.545 818 HB ILE 608 HB ILE 608 12.750 -26.704 -20.084 819 1HG1 ILE 608 1HG1 ILE 608 13.472 -29.633 -19.769 820 2HG1 ILE 608 2HG1 ILE 608 11.872 -29.023 -20.172 821 1HG2 ILE 608 1HG2 ILE 608 14.993 -26.280 -19.189 822 2HG2 ILE 608 2HG2 ILE 608 15.075 -27.192 -20.697 823 3HG2 ILE 608 3HG2 ILE 608 15.309 -28.016 -19.156 824 1HD1 ILE 608 1HD1 ILE 608 13.019 -29.857 -22.135 825 2HD1 ILE 608 2HD1 ILE 608 14.354 -28.739 -21.851 826 3HD1 ILE 608 3HD1 ILE 608 12.757 -28.117 -22.266 827 H THR 609 H THR 609 14.586 -26.812 -16.539 828 HA THR 609 HA THR 609 15.284 -25.035 -15.463 829 HB THR 609 HB THR 609 13.657 -23.256 -17.272 830 HG1 THR 609 HG1 THR 609 15.934 -24.818 -17.727 831 1HG2 THR 609 1HG2 THR 609 16.247 -22.842 -15.777 832 2HG2 THR 609 2HG2 THR 609 14.673 -22.197 -15.317 833 3HG2 THR 609 3HG2 THR 609 15.450 -21.648 -16.803 834 H GLU 610 H GLU 610 14.140 -25.777 -13.715 835 HA GLU 610 HA GLU 610 12.031 -23.941 -12.884 836 1HB GLU 610 1HB GLU 610 12.461 -26.822 -12.063 837 2HB GLU 610 2HB GLU 610 11.373 -25.729 -11.216 838 1HG GLU 610 1HG GLU 610 10.056 -25.460 -13.244 839 2HG GLU 610 2HG GLU 610 11.151 -26.539 -14.104 840 H GLU 611 H GLU 611 13.312 -22.461 -12.130 841 HA GLU 611 HA GLU 611 15.259 -23.164 -10.036 842 1HB GLU 611 1HB GLU 611 16.635 -21.319 -10.890 843 2HB GLU 611 2HB GLU 611 16.274 -22.461 -12.188 844 1HG GLU 611 1HG GLU 611 14.601 -21.024 -13.097 845 2HG GLU 611 2HG GLU 611 14.772 -19.902 -11.749 846 H TYR 612 H TYR 612 15.729 -20.845 -8.882 847 HA TYR 612 HA TYR 612 13.120 -19.883 -8.174 848 1HB TYR 612 1HB TYR 612 15.826 -19.317 -6.991 849 2HB TYR 612 2HB TYR 612 14.398 -18.408 -6.520 850 HD1 TYR 612 HD1 TYR 612 12.364 -19.813 -5.745 851 HD2 TYR 612 HD2 TYR 612 16.351 -21.292 -5.832 852 HE1 TYR 612 HE1 TYR 612 11.751 -21.540 -4.116 853 HE2 TYR 612 HE2 TYR 612 15.745 -23.028 -4.211 854 HH TYR 612 HH TYR 612 14.006 -23.267 -2.430 855 H ASP 613 H ASP 613 12.605 -19.057 -10.102 856 HA ASP 613 HA ASP 613 13.759 -16.426 -10.744 857 1HB ASP 613 1HB ASP 613 13.413 -18.190 -12.607 858 2HB ASP 613 2HB ASP 613 11.685 -18.029 -12.323 859 H ASP 614 H ASP 614 10.866 -15.916 -11.915 860 HA ASP 614 HA ASP 614 8.867 -15.067 -11.238 861 1HB ASP 614 1HB ASP 614 8.670 -17.349 -10.375 862 2HB ASP 614 2HB ASP 614 9.384 -16.848 -8.853 863 H LYS 615 H LYS 615 11.464 -13.947 -10.422 864 HA LYS 615 HA LYS 615 11.020 -12.659 -7.868 865 1HB LYS 615 1HB LYS 615 13.237 -11.805 -7.981 866 2HB LYS 615 2HB LYS 615 13.292 -13.459 -8.545 867 1HG LYS 615 1HG LYS 615 13.293 -11.037 -10.324 868 2HG LYS 615 2HG LYS 615 14.747 -11.879 -9.794 869 1HD LYS 615 1HD LYS 615 13.876 -13.926 -10.942 870 2HD LYS 615 2HD LYS 615 12.531 -12.954 -11.542 871 1HE LYS 615 1HE LYS 615 14.081 -11.476 -12.694 872 2HE LYS 615 2HE LYS 615 15.442 -12.394 -12.060 873 1HZ LYS 615 1HZ LYS 615 15.068 -13.131 -14.262 874 2HZ LYS 615 2HZ LYS 615 13.420 -13.279 -14.033 875 3HZ LYS 615 3HZ LYS 615 14.451 -14.368 -13.299 876 H GLN 616 H GLN 616 10.153 -12.019 -10.972 877 HA GLN 616 HA GLN 616 10.351 -9.157 -10.811 878 1HB GLN 616 1HB GLN 616 8.825 -10.925 -12.729 879 2HB GLN 616 2HB GLN 616 8.900 -9.178 -12.843 880 1HG GLN 616 1HG GLN 616 11.242 -11.058 -13.059 881 2HG GLN 616 2HG GLN 616 10.445 -10.224 -14.396 882 1HE2 GLN 616 1HE2 GLN 616 10.695 -8.004 -14.564 883 2HE2 GLN 616 2HE2 GLN 616 12.005 -7.162 -13.813 884 HA PRO 617 HA PRO 617 6.636 -8.659 -8.475 885 1HB PRO 617 1HB PRO 617 6.130 -6.029 -9.046 886 2HB PRO 617 2HB PRO 617 7.385 -6.543 -7.917 887 1HG PRO 617 1HG PRO 617 7.636 -5.676 -10.764 888 2HG PRO 617 2HG PRO 617 8.689 -5.332 -9.383 889 1HD PRO 617 1HD PRO 617 9.254 -7.224 -11.264 890 2HD PRO 617 2HD PRO 617 9.809 -7.306 -9.577 891 H LEU 618 H LEU 618 4.467 -6.926 -9.225 892 HA LEU 618 HA LEU 618 3.194 -8.558 -11.111 893 1HB LEU 618 1HB LEU 618 2.419 -5.861 -10.038 894 2HB LEU 618 2HB LEU 618 1.356 -6.845 -11.040 895 HG LEU 618 HG LEU 618 0.535 -7.193 -8.910 896 1HD1 LEU 618 1HD1 LEU 618 1.134 -9.432 -8.212 897 2HD1 LEU 618 2HD1 LEU 618 2.609 -9.307 -9.173 898 3HD1 LEU 618 3HD1 LEU 618 1.043 -9.310 -9.987 899 1HD2 LEU 618 1HD2 LEU 618 2.249 -5.952 -7.721 900 2HD2 LEU 618 2HD2 LEU 618 3.341 -7.323 -7.964 901 3HD2 LEU 618 3HD2 LEU 618 1.918 -7.506 -6.919 902 H THR 619 H THR 619 3.981 -8.452 -13.157 903 HA THR 619 HA THR 619 4.325 -5.813 -14.253 904 HB THR 619 HB THR 619 6.545 -6.681 -15.300 905 HG1 THR 619 HG1 THR 619 6.250 -8.294 -12.981 906 1HG2 THR 619 1HG2 THR 619 6.338 -5.795 -12.416 907 2HG2 THR 619 2HG2 THR 619 6.447 -4.737 -13.823 908 3HG2 THR 619 3HG2 THR 619 7.818 -5.755 -13.374 909 H SER 620 H SER 620 2.854 -8.630 -14.734 910 HA SER 620 HA SER 620 3.661 -9.173 -17.387 911 1HB SER 620 1HB SER 620 1.614 -10.651 -17.364 912 2HB SER 620 2HB SER 620 2.856 -11.001 -16.161 913 HG SER 620 HG SER 620 1.659 -10.318 -14.617 914 H LYS 621 H LYS 621 3.519 -7.381 -18.479 915 HA LYS 621 HA LYS 621 0.906 -6.089 -18.823 916 1HB LYS 621 1HB LYS 621 2.717 -4.735 -17.851 917 2HB LYS 621 2HB LYS 621 3.669 -5.009 -19.292 918 1HG LYS 621 1HG LYS 621 2.132 -3.777 -20.635 919 2HG LYS 621 2HG LYS 621 1.005 -3.618 -19.291 920 1HD LYS 621 1HD LYS 621 3.814 -2.521 -19.201 921 2HD LYS 621 2HD LYS 621 2.463 -1.591 -19.830 922 1HE LYS 621 1HE LYS 621 2.823 -0.933 -17.539 923 2HE LYS 621 2HE LYS 621 1.332 -1.845 -17.617 924 1HZ LYS 621 1HZ LYS 621 2.447 -3.719 -16.588 925 2HZ LYS 621 2HZ LYS 621 2.768 -2.346 -15.690 926 3HZ LYS 621 3HZ LYS 621 3.943 -2.946 -16.699 927 H GLU 622 H GLU 622 3.762 -7.265 -20.469 928 HA GLU 622 HA GLU 622 2.162 -7.354 -22.922 929 1HB GLU 622 1HB GLU 622 4.280 -7.161 -24.199 930 2HB GLU 622 2HB GLU 622 3.926 -5.737 -23.236 931 1HG GLU 622 1HG GLU 622 5.546 -6.456 -21.571 932 2HG GLU 622 2HG GLU 622 5.883 -7.902 -22.524 933 H GLU 623 H GLU 623 4.198 -8.951 -20.704 934 HA GLU 623 HA GLU 623 4.321 -11.350 -22.256 935 1HB GLU 623 1HB GLU 623 5.477 -12.290 -20.214 936 2HB GLU 623 2HB GLU 623 6.296 -10.943 -20.972 937 1HG GLU 623 1HG GLU 623 4.534 -10.628 -18.556 938 2HG GLU 623 2HG GLU 623 6.249 -10.991 -18.434 939 H GLU 624 H GLU 624 2.630 -12.533 -22.405 940 HA GLU 624 HA GLU 624 0.523 -12.339 -20.466 941 1HB GLU 624 1HB GLU 624 0.696 -13.936 -23.026 942 2HB GLU 624 2HB GLU 624 -0.753 -13.724 -22.048 943 1HG GLU 624 1HG GLU 624 -0.638 -11.295 -22.434 944 2HG GLU 624 2HG GLU 624 0.775 -11.539 -23.453 945 H GLU 625 H GLU 625 3.043 -14.541 -21.327 946 HA GLU 625 HA GLU 625 2.007 -16.823 -20.020 947 1HB GLU 625 1HB GLU 625 4.853 -16.098 -20.691 948 2HB GLU 625 2HB GLU 625 4.335 -17.677 -20.112 949 1HG GLU 625 1HG GLU 625 2.948 -17.974 -22.059 950 2HG GLU 625 2HG GLU 625 3.364 -16.367 -22.641 951 H ARG 626 H ARG 626 3.809 -14.070 -18.837 952 HA ARG 626 HA ARG 626 4.535 -15.261 -16.341 953 1HB ARG 626 1HB ARG 626 5.500 -13.118 -17.509 954 2HB ARG 626 2HB ARG 626 4.175 -12.271 -16.761 955 1HG ARG 626 1HG ARG 626 6.422 -13.717 -15.303 956 2HG ARG 626 2HG ARG 626 6.287 -11.979 -15.516 957 1HD ARG 626 1HD ARG 626 4.202 -12.031 -14.177 958 2HD ARG 626 2HD ARG 626 4.430 -13.755 -13.931 959 HE ARG 626 HE ARG 626 6.045 -11.584 -12.802 960 1HH1 ARG 626 1HH1 ARG 626 5.522 -15.076 -12.976 961 2HH1 ARG 626 2HH1 ARG 626 6.041 -15.365 -11.361 962 1HH2 ARG 626 1HH2 ARG 626 6.811 -12.051 -10.526 963 2HH2 ARG 626 2HH2 ARG 626 6.763 -13.659 -9.999 964 H ARG 627 H ARG 627 1.643 -13.931 -17.645 965 HA ARG 627 HA ARG 627 0.306 -13.231 -15.241 966 1HB ARG 627 1HB ARG 627 -0.886 -14.062 -17.899 967 2HB ARG 627 2HB ARG 627 -1.795 -13.367 -16.565 968 1HG ARG 627 1HG ARG 627 -0.444 -11.322 -16.740 969 2HG ARG 627 2HG ARG 627 0.414 -12.051 -18.099 970 1HD ARG 627 1HD ARG 627 -1.653 -12.160 -19.365 971 2HD ARG 627 2HD ARG 627 -2.531 -11.460 -18.000 972 HE ARG 627 HE ARG 627 -0.743 -9.589 -18.365 973 1HH1 ARG 627 1HH1 ARG 627 -2.671 -11.303 -20.832 974 2HH1 ARG 627 2HH1 ARG 627 -2.631 -10.003 -21.927 975 1HH2 ARG 627 1HH2 ARG 627 -0.787 -7.767 -19.931 976 2HH2 ARG 627 2HH2 ARG 627 -1.586 -7.999 -21.414 977 H ILE 628 H ILE 628 0.819 -16.271 -16.918 978 HA ILE 628 HA ILE 628 -1.149 -17.807 -15.627 979 HB ILE 628 HB ILE 628 1.606 -18.644 -16.581 980 1HG1 ILE 628 1HG1 ILE 628 -1.050 -18.877 -18.008 981 2HG1 ILE 628 2HG1 ILE 628 0.153 -17.630 -18.328 982 1HG2 ILE 628 1HG2 ILE 628 -0.824 -20.333 -15.978 983 2HG2 ILE 628 2HG2 ILE 628 0.654 -20.241 -15.023 984 3HG2 ILE 628 3HG2 ILE 628 0.703 -20.924 -16.653 985 1HD1 ILE 628 1HD1 ILE 628 1.730 -19.283 -19.025 986 2HD1 ILE 628 2HD1 ILE 628 0.232 -19.465 -19.954 987 3HD1 ILE 628 3HD1 ILE 628 0.607 -20.586 -18.640 988 H ALA 629 H ALA 629 2.168 -17.048 -14.848 989 HA ALA 629 HA ALA 629 2.282 -18.561 -12.476 990 1HB ALA 629 1HB ALA 629 4.283 -17.865 -13.666 991 2HB ALA 629 2HB ALA 629 4.307 -17.277 -11.997 992 3HB ALA 629 3HB ALA 629 3.906 -16.180 -13.317 993 H GLU 630 H GLU 630 1.581 -15.179 -13.157 994 HA GLU 630 HA GLU 630 1.386 -14.412 -10.422 995 1HB GLU 630 1HB GLU 630 0.363 -13.081 -12.923 996 2HB GLU 630 2HB GLU 630 0.055 -12.423 -11.327 997 1HG GLU 630 1HG GLU 630 2.481 -12.239 -10.951 998 2HG GLU 630 2HG GLU 630 2.760 -12.854 -12.582 999 H MET 631 H MET 631 -0.783 -16.059 -12.479 1000 HA MET 631 HA MET 631 -3.193 -15.427 -11.179 1001 1HB MET 631 1HB MET 631 -2.841 -16.218 -13.500 1002 2HB MET 631 2HB MET 631 -2.380 -17.783 -12.859 1003 1HG MET 631 1HG MET 631 -4.552 -17.991 -11.862 1004 2HG MET 631 2HG MET 631 -4.996 -16.423 -12.567 1005 1HE MET 631 1HE MET 631 -5.005 -15.958 -15.229 1006 2HE MET 631 2HE MET 631 -4.741 -17.206 -16.441 1007 3HE MET 631 3HE MET 631 -3.400 -16.668 -15.437 1008 H GLY 632 H GLY 632 -0.576 -17.694 -10.688 1009 1HA GLY 632 1HA GLY 632 -2.122 -19.263 -8.753 1010 2HA GLY 632 2HA GLY 632 -0.541 -19.684 -9.404 1011 H ARG 633 H ARG 633 -0.632 -16.489 -8.655 1012 HA ARG 633 HA ARG 633 0.675 -16.899 -6.039 1013 1HB ARG 633 1HB ARG 633 1.021 -14.638 -7.997 1014 2HB ARG 633 2HB ARG 633 1.942 -14.907 -6.531 1015 1HG ARG 633 1HG ARG 633 2.992 -16.827 -7.487 1016 2HG ARG 633 2HG ARG 633 1.971 -16.715 -8.926 1017 1HD ARG 633 1HD ARG 633 3.728 -15.572 -9.744 1018 2HD ARG 633 2HD ARG 633 2.966 -14.240 -8.873 1019 HE ARG 633 HE ARG 633 5.395 -15.633 -8.225 1020 1HH1 ARG 633 1HH1 ARG 633 2.963 -13.349 -6.951 1021 2HH1 ARG 633 2HH1 ARG 633 4.046 -12.702 -5.818 1022 1HH2 ARG 633 1HH2 ARG 633 6.778 -14.726 -6.784 1023 2HH2 ARG 633 2HH2 ARG 633 6.276 -13.410 -5.760 1024 HA PRO 634 HA PRO 634 -2.411 -13.765 -4.840 1025 1HB PRO 634 1HB PRO 634 -1.080 -12.470 -2.922 1026 2HB PRO 634 2HB PRO 634 -1.913 -13.975 -2.610 1027 1HG PRO 634 1HG PRO 634 1.020 -13.513 -2.825 1028 2HG PRO 634 2HG PRO 634 0.140 -14.802 -2.008 1029 1HD PRO 634 1HD PRO 634 1.464 -14.988 -4.459 1030 2HD PRO 634 2HD PRO 634 0.310 -16.157 -3.797 1031 H ILE 635 H ILE 635 -2.751 -11.538 -5.040 1032 HA ILE 635 HA ILE 635 -0.549 -9.987 -6.084 1033 HB ILE 635 HB ILE 635 -1.805 -9.074 -7.930 1034 1HG1 ILE 635 1HG1 ILE 635 -4.084 -9.150 -7.061 1035 2HG1 ILE 635 2HG1 ILE 635 -4.014 -9.842 -8.680 1036 1HG2 ILE 635 1HG2 ILE 635 -0.530 -10.985 -8.509 1037 2HG2 ILE 635 2HG2 ILE 635 -1.998 -10.924 -9.479 1038 3HG2 ILE 635 3HG2 ILE 635 -1.883 -12.051 -8.125 1039 1HD1 ILE 635 1HD1 ILE 635 -4.170 -11.201 -6.077 1040 2HD1 ILE 635 2HD1 ILE 635 -3.975 -12.034 -7.632 1041 3HD1 ILE 635 3HD1 ILE 635 -5.467 -11.106 -7.288 1042 H LEU 636 H LEU 636 -1.870 -7.691 -6.573 1043 HA LEU 636 HA LEU 636 -2.653 -7.047 -3.898 1044 1HB LEU 636 1HB LEU 636 -2.349 -4.693 -4.464 1045 2HB LEU 636 2HB LEU 636 -0.920 -5.622 -4.811 1046 HG LEU 636 HG LEU 636 -1.054 -4.015 -6.512 1047 1HD1 LEU 636 1HD1 LEU 636 -0.549 -6.183 -7.393 1048 2HD1 LEU 636 2HD1 LEU 636 -1.359 -5.143 -8.575 1049 3HD1 LEU 636 3HD1 LEU 636 -2.271 -6.415 -7.743 1050 1HD2 LEU 636 1HD2 LEU 636 -3.956 -4.677 -6.899 1051 2HD2 LEU 636 2HD2 LEU 636 -3.029 -3.563 -7.904 1052 3HD2 LEU 636 3HD2 LEU 636 -3.296 -3.204 -6.196 1053 H GLY 637 H GLY 637 -4.282 -4.971 -3.978 1054 1HA GLY 637 1HA GLY 637 -6.746 -6.263 -4.883 1055 2HA GLY 637 2HA GLY 637 -6.561 -5.060 -3.625 1056 H GLU 638 H GLU 638 -7.647 -3.309 -4.165 1057 HA GLU 638 HA GLU 638 -8.064 -2.610 -6.911 1058 1HB GLU 638 1HB GLU 638 -9.911 -2.460 -5.373 1059 2HB GLU 638 2HB GLU 638 -9.020 -1.349 -4.349 1060 1HG GLU 638 1HG GLU 638 -9.092 0.337 -6.089 1061 2HG GLU 638 2HG GLU 638 -9.908 -0.792 -7.167 1062 H HIS 639 H HIS 639 -6.999 -0.571 -4.161 1063 HA HIS 639 HA HIS 639 -5.388 0.813 -6.135 1064 1HB HIS 639 1HB HIS 639 -5.813 2.974 -4.948 1065 2HB HIS 639 2HB HIS 639 -7.223 2.285 -5.726 1066 HD1 HIS 639 HD1 HIS 639 -6.059 3.622 -2.525 1067 HD2 HIS 639 HD2 HIS 639 -9.071 1.089 -3.831 1068 HE1 HIS 639 HE1 HIS 639 -7.768 3.546 -0.673 1069 H THR 640 H THR 640 -3.438 0.397 -5.848 1070 HA THR 640 HA THR 640 -2.372 0.348 -3.166 1071 HB THR 640 HB THR 640 -0.432 -0.739 -4.492 1072 HG1 THR 640 HG1 THR 640 -1.246 -1.747 -6.453 1073 1HG2 THR 640 1HG2 THR 640 -1.938 -1.882 -2.914 1074 2HG2 THR 640 2HG2 THR 640 -1.492 -2.898 -4.281 1075 3HG2 THR 640 3HG2 THR 640 -3.091 -2.145 -4.226 1076 H LYS 641 H LYS 641 -2.146 2.509 -2.899 1077 HA LYS 641 HA LYS 641 0.220 3.718 -3.710 1078 1HB LYS 641 1HB LYS 641 -1.225 3.977 -5.824 1079 2HB LYS 641 2HB LYS 641 -2.287 4.995 -4.860 1080 1HG LYS 641 1HG LYS 641 0.639 5.613 -5.316 1081 2HG LYS 641 2HG LYS 641 -0.635 6.208 -6.379 1082 1HD LYS 641 1HD LYS 641 -1.600 7.407 -4.449 1083 2HD LYS 641 2HD LYS 641 -0.303 6.764 -3.435 1084 1HE LYS 641 1HE LYS 641 0.223 9.053 -4.135 1085 2HE LYS 641 2HE LYS 641 1.355 7.905 -4.826 1086 1HZ LYS 641 1HZ LYS 641 -0.969 9.059 -6.277 1087 2HZ LYS 641 2HZ LYS 641 0.248 8.074 -6.939 1088 3HZ LYS 641 3HZ LYS 641 0.607 9.602 -6.374 1089 H LEU 642 H LEU 642 0.585 4.969 -2.008 1090 HA LEU 642 HA LEU 642 -1.717 6.121 -0.659 1091 1HB LEU 642 1HB LEU 642 -0.945 4.207 0.627 1092 2HB LEU 642 2HB LEU 642 0.685 4.861 0.575 1093 HG LEU 642 HG LEU 642 -0.169 6.856 1.795 1094 1HD1 LEU 642 1HD1 LEU 642 -2.520 6.665 1.348 1095 2HD1 LEU 642 2HD1 LEU 642 -2.232 6.612 3.086 1096 3HD1 LEU 642 3HD1 LEU 642 -2.595 5.130 2.208 1097 1HD2 LEU 642 1HD2 LEU 642 -0.061 5.851 3.900 1098 2HD2 LEU 642 2HD2 LEU 642 1.115 5.050 2.846 1099 3HD2 LEU 642 3HD2 LEU 642 -0.410 4.246 3.261 1100 H GLU 643 H GLU 643 -1.500 8.160 -0.885 1101 HA GLU 643 HA GLU 643 1.150 9.357 -1.057 1102 1HB GLU 643 1HB GLU 643 -0.846 9.763 -2.695 1103 2HB GLU 643 2HB GLU 643 -1.483 10.705 -1.368 1104 1HG GLU 643 1HG GLU 643 0.250 12.261 -1.453 1105 2HG GLU 643 2HG GLU 643 1.215 11.241 -2.524 1106 H VAL 644 H VAL 644 1.879 9.680 0.976 1107 HA VAL 644 HA VAL 644 0.005 10.445 3.063 1108 HB VAL 644 HB VAL 644 2.984 10.048 3.249 1109 1HG1 VAL 644 1HG1 VAL 644 0.865 9.946 5.385 1110 2HG1 VAL 644 2HG1 VAL 644 1.915 11.312 5.043 1111 3HG1 VAL 644 3HG1 VAL 644 2.614 9.807 5.620 1112 1HG2 VAL 644 1HG2 VAL 644 1.921 8.011 2.382 1113 2HG2 VAL 644 2HG2 VAL 644 0.835 8.002 3.780 1114 3HG2 VAL 644 3HG2 VAL 644 2.569 7.788 4.003 1115 H ILE 645 H ILE 645 -0.459 12.570 2.865 1116 HA ILE 645 HA ILE 645 1.754 14.350 2.345 1117 HB ILE 645 HB ILE 645 -1.193 14.991 2.743 1118 1HG1 ILE 645 1HG1 ILE 645 -0.841 15.882 0.284 1119 2HG1 ILE 645 2HG1 ILE 645 0.577 14.866 0.309 1120 1HG2 ILE 645 1HG2 ILE 645 -0.638 17.325 2.138 1121 2HG2 ILE 645 2HG2 ILE 645 1.075 16.910 2.175 1122 3HG2 ILE 645 3HG2 ILE 645 0.113 16.816 3.647 1123 1HD1 ILE 645 1HD1 ILE 645 -0.818 12.889 0.706 1124 2HD1 ILE 645 2HD1 ILE 645 -1.323 13.729 -0.754 1125 3HD1 ILE 645 3HD1 ILE 645 -2.248 13.910 0.721 1126 H ILE 646 H ILE 646 2.946 14.989 3.898 1127 HA ILE 646 HA ILE 646 1.938 14.703 6.605 1128 HB ILE 646 HB ILE 646 4.783 15.392 5.772 1129 1HG1 ILE 646 1HG1 ILE 646 5.276 12.927 6.420 1130 2HG1 ILE 646 2HG1 ILE 646 3.560 12.676 6.162 1131 1HG2 ILE 646 1HG2 ILE 646 3.678 14.271 8.317 1132 2HG2 ILE 646 2HG2 ILE 646 4.262 15.923 8.067 1133 3HG2 ILE 646 3HG2 ILE 646 5.378 14.548 7.978 1134 1HD1 ILE 646 1HD1 ILE 646 5.482 13.715 4.111 1135 2HD1 ILE 646 2HD1 ILE 646 3.765 13.369 3.878 1136 3HD1 ILE 646 3HD1 ILE 646 4.889 12.061 4.239 1137 H GLU 647 H GLU 647 0.942 16.423 7.174 1138 HA GLU 647 HA GLU 647 1.867 18.941 6.130 1139 1HB GLU 647 1HB GLU 647 -0.349 19.821 6.973 1140 2HB GLU 647 2HB GLU 647 -0.425 18.704 5.624 1141 1HG GLU 647 1HG GLU 647 -1.091 16.919 7.122 1142 2HG GLU 647 2HG GLU 647 -0.948 18.009 8.500 1143 H GLU 648 H GLU 648 2.613 20.430 7.314 1144 HA GLU 648 HA GLU 648 3.691 19.682 9.796 1145 1HB GLU 648 1HB GLU 648 4.627 21.205 7.992 1146 2HB GLU 648 2HB GLU 648 3.541 22.434 8.603 1147 1HG GLU 648 1HG GLU 648 4.717 22.659 10.574 1148 2HG GLU 648 2HG GLU 648 5.486 21.073 10.408 1149 H SER 649 H SER 649 3.208 20.551 11.828 1150 HA SER 649 HA SER 649 0.579 20.232 12.447 1151 1HB SER 649 1HB SER 649 2.405 19.890 14.001 1152 2HB SER 649 2HB SER 649 2.664 21.632 14.113 1153 HG SER 649 HG SER 649 1.297 21.451 15.697 1154 H TYR 650 H TYR 650 -1.077 21.326 12.157 1155 HA TYR 650 HA TYR 650 -1.148 24.176 12.667 1156 1HB TYR 650 1HB TYR 650 -0.974 24.150 10.257 1157 2HB TYR 650 2HB TYR 650 -2.072 22.789 10.123 1158 HD1 TYR 650 HD1 TYR 650 -4.446 23.104 10.276 1159 HD2 TYR 650 HD2 TYR 650 -1.838 26.435 10.562 1160 HE1 TYR 650 HE1 TYR 650 -6.327 24.517 9.985 1161 HE2 TYR 650 HE2 TYR 650 -3.752 27.953 10.241 1162 HH TYR 650 HH TYR 650 -6.970 26.849 10.464 1163 H GLU 651 H GLU 651 -3.242 21.584 11.462 1164 HA GLU 651 HA GLU 651 -4.689 20.939 13.677 1165 1HB GLU 651 1HB GLU 651 -5.438 23.397 13.514 1166 2HB GLU 651 2HB GLU 651 -6.114 22.969 11.945 1167 1HG GLU 651 1HG GLU 651 -7.632 21.401 13.028 1168 2HG GLU 651 2HG GLU 651 -6.959 21.841 14.599 1169 H PHE 652 H PHE 652 -6.405 19.642 12.913 1170 HA PHE 652 HA PHE 652 -5.687 18.595 10.261 1171 1HB PHE 652 1HB PHE 652 -5.557 17.083 12.311 1172 2HB PHE 652 2HB PHE 652 -7.313 17.131 12.350 1173 HD1 PHE 652 HD1 PHE 652 -4.593 16.504 9.870 1174 HD2 PHE 652 HD2 PHE 652 -8.389 15.334 11.383 1175 HE1 PHE 652 HE1 PHE 652 -4.635 14.628 8.293 1176 HE2 PHE 652 HE2 PHE 652 -8.432 13.449 9.796 1177 HZ PHE 652 HZ PHE 652 -6.559 13.096 8.254 1178 H LYS 653 H LYS 653 -7.462 17.684 8.941 1179 HA LYS 653 HA LYS 653 -9.446 17.706 7.880 1180 1HB LYS 653 1HB LYS 653 -10.466 19.252 10.237 1181 2HB LYS 653 2HB LYS 653 -11.473 18.635 8.925 1182 1HG LYS 653 1HG LYS 653 -10.799 16.347 9.529 1183 2HG LYS 653 2HG LYS 653 -9.840 17.005 10.857 1184 1HD LYS 653 1HD LYS 653 -12.763 17.334 10.464 1185 2HD LYS 653 2HD LYS 653 -12.036 16.166 11.585 1186 1HE LYS 653 1HE LYS 653 -10.953 18.147 12.747 1187 2HE LYS 653 2HE LYS 653 -11.911 19.188 11.700 1188 1HZ LYS 653 1HZ LYS 653 -12.939 17.286 13.724 1189 2HZ LYS 653 2HZ LYS 653 -13.913 18.111 12.647 1190 3HZ LYS 653 3HZ LYS 653 -13.031 18.969 13.792 1191 H SER 654 H SER 654 -7.416 20.050 8.295 1192 HA SER 654 HA SER 654 -8.914 22.284 7.291 1193 1HB SER 654 1HB SER 654 -6.628 23.379 7.378 1194 2HB SER 654 2HB SER 654 -7.235 22.778 8.923 1195 HG SER 654 HG SER 654 -5.571 21.447 9.015 1196 H THR 655 H THR 655 -6.385 20.066 6.215 1197 HA THR 655 HA THR 655 -6.423 21.156 3.572 1198 HB THR 655 HB THR 655 -5.144 18.538 4.316 1199 HG1 THR 655 HG1 THR 655 -3.802 19.504 5.581 1200 1HG2 THR 655 1HG2 THR 655 -5.063 19.280 1.989 1201 2HG2 THR 655 2HG2 THR 655 -3.451 19.369 2.714 1202 3HG2 THR 655 3HG2 THR 655 -4.410 20.832 2.504 1203 H VAL 656 H VAL 656 -8.549 20.833 2.969 1204 HA VAL 656 HA VAL 656 -9.372 18.066 2.654 1205 HB VAL 656 HB VAL 656 -10.932 19.375 3.982 1206 1HG1 VAL 656 1HG1 VAL 656 -12.173 21.282 3.080 1207 2HG1 VAL 656 2HG1 VAL 656 -11.158 21.244 1.638 1208 3HG1 VAL 656 3HG1 VAL 656 -10.444 21.608 3.209 1209 1HG2 VAL 656 1HG2 VAL 656 -11.880 17.664 2.564 1210 2HG2 VAL 656 2HG2 VAL 656 -12.035 18.825 1.241 1211 3HG2 VAL 656 3HG2 VAL 656 -12.991 19.027 2.714 1212 H ASP 657 H ASP 657 -9.499 17.228 0.711 1213 HA ASP 657 HA ASP 657 -9.245 18.997 -1.618 1214 1HB ASP 657 1HB ASP 657 -7.212 17.722 -1.319 1215 2HB ASP 657 2HB ASP 657 -8.128 16.236 -1.118 Start of MODEL 2 1 1H HIS 501 1H HIS 501 -7.016 -16.714 -8.357 2 HA HIS 501 HA HIS 501 -7.406 -14.236 -7.018 3 1HB HIS 501 1HB HIS 501 -9.705 -15.317 -7.069 4 2HB HIS 501 2HB HIS 501 -9.018 -16.680 -6.208 5 HD1 HIS 501 HD1 HIS 501 -10.817 -13.618 -5.628 6 HD2 HIS 501 HD2 HIS 501 -7.912 -15.751 -3.547 7 HE1 HIS 501 HE1 HIS 501 -11.056 -12.942 -3.231 8 H ALA 502 H ALA 502 -5.915 -14.201 -5.444 9 HA ALA 502 HA ALA 502 -4.973 -16.600 -4.114 10 1HB ALA 502 1HB ALA 502 -2.610 -16.185 -4.632 11 2HB ALA 502 2HB ALA 502 -3.099 -14.908 -5.749 12 3HB ALA 502 3HB ALA 502 -3.549 -16.588 -6.074 13 H GLY 503 H GLY 503 -4.645 -13.142 -4.690 14 1HA GLY 503 1HA GLY 503 -5.070 -12.555 -2.031 15 2HA GLY 503 2HA GLY 503 -3.335 -12.432 -2.347 16 H ILE 504 H ILE 504 -5.757 -10.635 -1.860 17 HA ILE 504 HA ILE 504 -5.146 -8.635 -3.931 18 HB ILE 504 HB ILE 504 -7.628 -8.941 -2.227 19 1HG1 ILE 504 1HG1 ILE 504 -8.790 -9.106 -4.565 20 2HG1 ILE 504 2HG1 ILE 504 -7.189 -9.555 -5.135 21 1HG2 ILE 504 1HG2 ILE 504 -7.174 -6.604 -2.601 22 2HG2 ILE 504 2HG2 ILE 504 -8.601 -7.087 -3.521 23 3HG2 ILE 504 3HG2 ILE 504 -7.059 -6.877 -4.340 24 1HD1 ILE 504 1HD1 ILE 504 -8.542 -11.514 -4.694 25 2HD1 ILE 504 2HD1 ILE 504 -8.797 -10.987 -3.033 26 3HD1 ILE 504 3HD1 ILE 504 -7.180 -11.442 -3.575 27 H PHE 505 H PHE 505 -3.784 -7.152 -3.012 28 HA PHE 505 HA PHE 505 -4.326 -6.396 -0.224 29 1HB PHE 505 1HB PHE 505 -1.615 -6.546 -1.569 30 2HB PHE 505 2HB PHE 505 -1.910 -6.012 0.083 31 HD1 PHE 505 HD1 PHE 505 -1.423 -8.826 -2.089 32 HD2 PHE 505 HD2 PHE 505 -2.825 -7.652 1.742 33 HE1 PHE 505 HE1 PHE 505 -1.262 -11.156 -1.326 34 HE2 PHE 505 HE2 PHE 505 -2.663 -9.976 2.521 35 HZ PHE 505 HZ PHE 505 -1.885 -11.734 0.985 36 H THR 506 H THR 506 -4.899 -4.319 -0.029 37 HA THR 506 HA THR 506 -3.887 -2.372 -1.919 38 HB THR 506 HB THR 506 -5.903 -3.385 -3.016 39 HG1 THR 506 HG1 THR 506 -6.682 -0.774 -2.294 40 1HG2 THR 506 1HG2 THR 506 -7.421 -2.230 -0.669 41 2HG2 THR 506 2HG2 THR 506 -7.200 -3.947 -1.003 42 3HG2 THR 506 3HG2 THR 506 -8.147 -2.948 -2.108 43 H PHE 507 H PHE 507 -4.656 -0.168 -1.280 44 HA PHE 507 HA PHE 507 -5.066 0.085 1.630 45 1HB PHE 507 1HB PHE 507 -4.333 2.158 -0.466 46 2HB PHE 507 2HB PHE 507 -4.531 2.477 1.248 47 HD1 PHE 507 HD1 PHE 507 -2.913 1.436 2.855 48 HD2 PHE 507 HD2 PHE 507 -2.310 1.419 -1.352 49 HE1 PHE 507 HE1 PHE 507 -0.521 1.009 3.205 50 HE2 PHE 507 HE2 PHE 507 0.084 0.987 -1.013 51 HZ PHE 507 HZ PHE 507 0.979 0.778 1.273 52 H GLU 508 H GLU 508 -6.664 1.690 2.299 53 HA GLU 508 HA GLU 508 -8.817 1.734 0.382 54 1HB GLU 508 1HB GLU 508 -10.232 2.341 2.492 55 2HB GLU 508 2HB GLU 508 -9.765 0.670 2.178 56 1HG GLU 508 1HG GLU 508 -9.579 1.233 4.525 57 2HG GLU 508 2HG GLU 508 -8.025 0.821 3.830 58 H GLU 509 H GLU 509 -6.742 3.757 2.190 59 HA GLU 509 HA GLU 509 -7.919 5.985 0.726 60 1HB GLU 509 1HB GLU 509 -6.974 7.534 2.360 61 2HB GLU 509 2HB GLU 509 -7.974 6.366 3.201 62 1HG GLU 509 1HG GLU 509 -5.833 5.169 3.807 63 2HG GLU 509 2HG GLU 509 -4.976 6.548 3.119 64 HA PRO 510 HA PRO 510 -4.068 5.667 -1.532 65 1HB PRO 510 1HB PRO 510 -4.609 7.494 -3.429 66 2HB PRO 510 2HB PRO 510 -5.404 5.917 -3.416 67 1HG PRO 510 1HG PRO 510 -6.448 8.565 -2.502 68 2HG PRO 510 2HG PRO 510 -7.279 7.287 -3.400 69 1HD PRO 510 1HD PRO 510 -7.540 7.690 -0.695 70 2HD PRO 510 2HD PRO 510 -7.806 6.129 -1.498 71 H VAL 511 H VAL 511 -5.275 8.245 0.223 72 HA VAL 511 HA VAL 511 -2.711 9.651 0.334 73 HB VAL 511 HB VAL 511 -5.411 10.992 -0.186 74 1HG1 VAL 511 1HG1 VAL 511 -4.203 12.241 1.471 75 2HG1 VAL 511 2HG1 VAL 511 -4.207 13.119 -0.061 76 3HG1 VAL 511 3HG1 VAL 511 -2.768 12.228 0.455 77 1HG2 VAL 511 1HG2 VAL 511 -2.875 11.191 -1.775 78 2HG2 VAL 511 2HG2 VAL 511 -4.439 11.907 -2.179 79 3HG2 VAL 511 3HG2 VAL 511 -4.232 10.148 -2.202 80 H THR 512 H THR 512 -2.254 10.224 2.348 81 HA THR 512 HA THR 512 -4.426 10.283 4.227 82 HB THR 512 HB THR 512 -3.270 7.987 4.311 83 HG1 THR 512 HG1 THR 512 -4.427 8.746 6.022 84 1HG2 THR 512 1HG2 THR 512 -0.981 8.762 3.977 85 2HG2 THR 512 2HG2 THR 512 -1.117 7.855 5.503 86 3HG2 THR 512 3HG2 THR 512 -1.027 9.607 5.528 87 H HIS 513 H HIS 513 -4.008 11.724 5.976 88 HA HIS 513 HA HIS 513 -1.632 13.388 5.597 89 1HB HIS 513 1HB HIS 513 -4.426 14.245 6.362 90 2HB HIS 513 2HB HIS 513 -3.020 15.262 6.650 91 HD1 HIS 513 HD1 HIS 513 -2.757 16.983 4.846 92 HD2 HIS 513 HD2 HIS 513 -4.441 13.458 3.437 93 HE1 HIS 513 HE1 HIS 513 -3.188 17.338 2.392 94 H VAL 514 H VAL 514 -0.409 13.762 7.278 95 HA VAL 514 HA VAL 514 -1.263 12.703 9.910 96 HB VAL 514 HB VAL 514 0.871 11.641 10.217 97 1HG1 VAL 514 1HG1 VAL 514 -0.269 10.792 7.559 98 2HG1 VAL 514 2HG1 VAL 514 -0.784 10.218 9.141 99 3HG1 VAL 514 3HG1 VAL 514 0.829 9.833 8.541 100 1HG2 VAL 514 1HG2 VAL 514 2.262 13.181 8.946 101 2HG2 VAL 514 2HG2 VAL 514 1.601 12.558 7.431 102 3HG2 VAL 514 3HG2 VAL 514 2.588 11.517 8.460 103 H SER 515 H SER 515 -0.116 13.431 11.633 104 HA SER 515 HA SER 515 0.386 16.194 11.530 105 1HB SER 515 1HB SER 515 0.762 14.027 13.570 106 2HB SER 515 2HB SER 515 0.909 15.750 13.885 107 HG SER 515 HG SER 515 -1.129 15.212 14.432 108 H GLU 516 H GLU 516 2.520 17.118 11.953 109 HA GLU 516 HA GLU 516 4.574 15.384 10.928 110 1HB GLU 516 1HB GLU 516 4.297 17.685 10.047 111 2HB GLU 516 2HB GLU 516 4.779 18.308 11.619 112 1HG GLU 516 1HG GLU 516 6.960 17.512 11.390 113 2HG GLU 516 2HG GLU 516 6.521 16.459 10.049 114 H SER 517 H SER 517 3.609 16.654 13.971 115 HA SER 517 HA SER 517 6.069 15.601 15.085 116 1HB SER 517 1HB SER 517 5.431 17.931 15.801 117 2HB SER 517 2HB SER 517 3.972 17.249 16.518 118 HG SER 517 HG SER 517 6.546 17.249 17.433 119 H ILE 518 H ILE 518 5.135 13.634 14.340 120 HA ILE 518 HA ILE 518 3.695 12.348 16.513 121 HB ILE 518 HB ILE 518 2.269 12.792 14.489 122 1HG1 ILE 518 1HG1 ILE 518 2.772 9.867 14.978 123 2HG1 ILE 518 2HG1 ILE 518 1.844 10.915 16.058 124 1HG2 ILE 518 1HG2 ILE 518 3.896 12.603 12.758 125 2HG2 ILE 518 2HG2 ILE 518 2.623 11.411 12.493 126 3HG2 ILE 518 3HG2 ILE 518 4.187 10.907 13.155 127 1HD1 ILE 518 1HD1 ILE 518 0.378 11.449 14.262 128 2HD1 ILE 518 2HD1 ILE 518 0.376 9.688 14.594 129 3HD1 ILE 518 3HD1 ILE 518 1.269 10.371 13.199 130 H GLY 519 H GLY 519 4.415 10.141 16.726 131 1HA GLY 519 1HA GLY 519 7.203 9.885 15.996 132 2HA GLY 519 2HA GLY 519 6.284 8.834 17.077 133 H ILE 520 H ILE 520 4.362 7.817 15.781 134 HA ILE 520 HA ILE 520 5.476 6.622 13.337 135 HB ILE 520 HB ILE 520 4.023 5.248 15.615 136 1HG1 ILE 520 1HG1 ILE 520 6.445 5.575 15.998 137 2HG1 ILE 520 2HG1 ILE 520 6.016 3.873 15.860 138 1HG2 ILE 520 1HG2 ILE 520 3.195 4.387 13.514 139 2HG2 ILE 520 2HG2 ILE 520 4.168 3.167 14.340 140 3HG2 ILE 520 3HG2 ILE 520 4.841 4.056 12.973 141 1HD1 ILE 520 1HD1 ILE 520 6.836 3.892 13.541 142 2HD1 ILE 520 2HD1 ILE 520 8.079 4.305 14.714 143 3HD1 ILE 520 3HD1 ILE 520 7.324 5.576 13.747 144 H MET 521 H MET 521 4.126 6.906 11.672 145 HA MET 521 HA MET 521 1.276 7.186 12.309 146 1HB MET 521 1HB MET 521 0.908 8.214 10.121 147 2HB MET 521 2HB MET 521 2.280 9.041 10.832 148 1HG MET 521 1HG MET 521 2.885 8.786 8.630 149 2HG MET 521 2HG MET 521 3.634 7.368 9.365 150 1HE MET 521 1HE MET 521 2.949 7.779 6.176 151 2HE MET 521 2HE MET 521 2.424 6.155 5.783 152 3HE MET 521 3HE MET 521 3.812 6.405 6.840 153 H GLU 522 H GLU 522 -0.140 5.712 11.692 154 HA GLU 522 HA GLU 522 0.943 3.399 10.272 155 1HB GLU 522 1HB GLU 522 -0.899 3.486 12.646 156 2HB GLU 522 2HB GLU 522 -0.763 2.079 11.607 157 1HG GLU 522 1HG GLU 522 1.602 1.916 12.141 158 2HG GLU 522 2HG GLU 522 1.462 3.328 13.202 159 H VAL 523 H VAL 523 -0.229 2.588 8.714 160 HA VAL 523 HA VAL 523 -2.864 3.771 8.117 161 HB VAL 523 HB VAL 523 -0.803 2.758 6.139 162 1HG1 VAL 523 1HG1 VAL 523 -2.190 3.828 4.433 163 2HG1 VAL 523 2HG1 VAL 523 -3.352 4.303 5.670 164 3HG1 VAL 523 3HG1 VAL 523 -3.095 2.594 5.314 165 1HG2 VAL 523 1HG2 VAL 523 -1.469 5.593 6.906 166 2HG2 VAL 523 2HG2 VAL 523 -0.442 5.098 5.561 167 3HG2 VAL 523 3HG2 VAL 523 0.041 4.727 7.211 168 H LYS 524 H LYS 524 -4.447 2.304 7.539 169 HA LYS 524 HA LYS 524 -3.869 -0.431 8.289 170 1HB LYS 524 1HB LYS 524 -6.422 1.066 7.857 171 2HB LYS 524 2HB LYS 524 -6.370 -0.656 8.191 172 1HG LYS 524 1HG LYS 524 -5.027 1.293 10.010 173 2HG LYS 524 2HG LYS 524 -6.754 0.913 10.204 174 1HD LYS 524 1HD LYS 524 -6.251 -1.383 10.529 175 2HD LYS 524 2HD LYS 524 -4.544 -1.158 10.136 176 1HE LYS 524 1HE LYS 524 -4.928 -1.496 12.464 177 2HE LYS 524 2HE LYS 524 -4.289 0.128 12.204 178 1HZ LYS 524 1HZ LYS 524 -6.549 0.991 12.491 179 2HZ LYS 524 2HZ LYS 524 -6.080 0.087 13.830 180 3HZ LYS 524 3HZ LYS 524 -7.147 -0.574 12.727 181 H VAL 525 H VAL 525 -3.440 -1.800 6.943 182 HA VAL 525 HA VAL 525 -4.083 -1.482 4.078 183 HB VAL 525 HB VAL 525 -2.282 -3.572 5.314 184 1HG1 VAL 525 1HG1 VAL 525 -3.052 -4.124 3.071 185 2HG1 VAL 525 2HG1 VAL 525 -1.325 -3.761 3.066 186 3HG1 VAL 525 3HG1 VAL 525 -2.478 -2.563 2.478 187 1HG2 VAL 525 1HG2 VAL 525 -1.529 -0.896 4.176 188 2HG2 VAL 525 2HG2 VAL 525 -0.398 -2.162 4.666 189 3HG2 VAL 525 3HG2 VAL 525 -1.428 -1.384 5.867 190 H LEU 526 H LEU 526 -5.387 -2.867 3.022 191 HA LEU 526 HA LEU 526 -7.079 -4.549 4.624 192 1HB LEU 526 1HB LEU 526 -7.095 -4.018 1.642 193 2HB LEU 526 2HB LEU 526 -8.264 -4.986 2.512 194 HG LEU 526 HG LEU 526 -9.258 -2.822 2.002 195 1HD1 LEU 526 1HD1 LEU 526 -9.884 -2.026 4.133 196 2HD1 LEU 526 2HD1 LEU 526 -8.597 -2.962 4.895 197 3HD1 LEU 526 3HD1 LEU 526 -9.924 -3.790 4.070 198 1HD2 LEU 526 1HD2 LEU 526 -7.187 -1.548 1.749 199 2HD2 LEU 526 2HD2 LEU 526 -6.989 -1.555 3.506 200 3HD2 LEU 526 3HD2 LEU 526 -8.383 -0.757 2.766 201 H ARG 527 H ARG 527 -7.158 -6.691 4.601 202 HA ARG 527 HA ARG 527 -4.867 -8.106 3.515 203 1HB ARG 527 1HB ARG 527 -5.809 -8.601 5.837 204 2HB ARG 527 2HB ARG 527 -7.220 -9.277 5.035 205 1HG ARG 527 1HG ARG 527 -5.590 -10.817 3.808 206 2HG ARG 527 2HG ARG 527 -4.388 -10.306 4.985 207 1HD ARG 527 1HD ARG 527 -5.327 -12.359 5.715 208 2HD ARG 527 2HD ARG 527 -5.955 -11.098 6.768 209 HE ARG 527 HE ARG 527 -7.686 -11.582 4.569 210 1HH1 ARG 527 1HH1 ARG 527 -6.737 -12.924 7.719 211 2HH1 ARG 527 2HH1 ARG 527 -8.217 -13.720 7.992 212 1HH2 ARG 527 1HH2 ARG 527 -9.730 -12.671 4.943 213 2HH2 ARG 527 2HH2 ARG 527 -9.958 -13.564 6.359 214 H THR 528 H THR 528 -5.174 -9.958 2.200 215 HA THR 528 HA THR 528 -7.039 -9.768 0.163 216 HB THR 528 HB THR 528 -4.960 -10.894 -0.211 217 HG1 THR 528 HG1 THR 528 -6.176 -13.195 -0.553 218 1HG2 THR 528 1HG2 THR 528 -4.438 -13.068 0.840 219 2HG2 THR 528 2HG2 THR 528 -5.879 -12.882 1.848 220 3HG2 THR 528 3HG2 THR 528 -4.531 -11.758 2.023 221 H SER 529 H SER 529 -8.876 -10.864 -0.205 222 HA SER 529 HA SER 529 -10.600 -11.696 1.805 223 1HB SER 529 1HB SER 529 -11.249 -10.919 -0.481 224 2HB SER 529 2HB SER 529 -10.553 -12.399 -1.122 225 HG SER 529 HG SER 529 -12.635 -12.357 0.797 226 H GLY 530 H GLY 530 -8.522 -13.510 -0.450 227 1HA GLY 530 1HA GLY 530 -9.067 -15.938 1.059 228 2HA GLY 530 2HA GLY 530 -8.708 -15.880 -0.668 229 H ALA 531 H ALA 531 -7.469 -16.425 2.244 230 HA ALA 531 HA ALA 531 -4.733 -16.057 1.250 231 1HB ALA 531 1HB ALA 531 -5.717 -15.560 4.056 232 2HB ALA 531 2HB ALA 531 -5.127 -14.336 2.932 233 3HB ALA 531 3HB ALA 531 -4.028 -15.559 3.563 234 H ARG 532 H ARG 532 -3.876 -18.012 1.049 235 HA ARG 532 HA ARG 532 -4.604 -20.010 3.060 236 1HB ARG 532 1HB ARG 532 -3.590 -20.496 0.251 237 2HB ARG 532 2HB ARG 532 -3.974 -21.740 1.431 238 1HG ARG 532 1HG ARG 532 -5.919 -19.800 0.202 239 2HG ARG 532 2HG ARG 532 -5.747 -21.506 -0.210 240 1HD ARG 532 1HD ARG 532 -6.395 -22.116 2.068 241 2HD ARG 532 2HD ARG 532 -6.538 -20.414 2.489 242 HE ARG 532 HE ARG 532 -8.108 -21.083 0.235 243 1HH1 ARG 532 1HH1 ARG 532 -8.112 -21.289 3.803 244 2HH1 ARG 532 2HH1 ARG 532 -9.804 -21.195 3.912 245 1HH2 ARG 532 1HH2 ARG 532 -10.422 -20.944 0.455 246 2HH2 ARG 532 2HH2 ARG 532 -11.124 -21.012 2.013 247 H GLY 533 H GLY 533 -3.030 -18.871 4.367 248 1HA GLY 533 1HA GLY 533 -1.008 -20.009 5.285 249 2HA GLY 533 2HA GLY 533 -0.323 -19.780 3.684 250 H ASN 534 H ASN 534 1.329 -18.508 4.241 251 HA ASN 534 HA ASN 534 0.749 -15.909 5.487 252 1HB ASN 534 1HB ASN 534 2.259 -17.341 6.803 253 2HB ASN 534 2HB ASN 534 3.314 -17.525 5.413 254 1HD2 ASN 534 1HD2 ASN 534 1.823 -14.436 6.410 255 2HD2 ASN 534 2HD2 ASN 534 3.326 -13.753 6.881 256 H VAL 535 H VAL 535 1.247 -14.106 4.319 257 HA VAL 535 HA VAL 535 2.680 -14.475 1.795 258 HB VAL 535 HB VAL 535 0.234 -12.715 2.229 259 1HG1 VAL 535 1HG1 VAL 535 1.762 -11.713 0.612 260 2HG1 VAL 535 2HG1 VAL 535 0.328 -12.338 -0.212 261 3HG1 VAL 535 3HG1 VAL 535 1.833 -13.234 -0.277 262 1HG2 VAL 535 1HG2 VAL 535 -0.835 -14.252 0.584 263 2HG2 VAL 535 2HG2 VAL 535 -0.427 -14.999 2.136 264 3HG2 VAL 535 3HG2 VAL 535 0.610 -15.267 0.733 265 H ILE 536 H ILE 536 4.237 -13.074 1.471 266 HA ILE 536 HA ILE 536 4.613 -10.933 3.437 267 HB ILE 536 HB ILE 536 6.582 -12.225 1.521 268 1HG1 ILE 536 1HG1 ILE 536 6.081 -13.614 3.441 269 2HG1 ILE 536 2HG1 ILE 536 7.715 -12.974 3.585 270 1HG2 ILE 536 1HG2 ILE 536 7.119 -9.840 1.737 271 2HG2 ILE 536 2HG2 ILE 536 8.329 -10.831 2.547 272 3HG2 ILE 536 3HG2 ILE 536 7.087 -10.008 3.491 273 1HD1 ILE 536 1HD1 ILE 536 6.872 -11.265 5.141 274 2HD1 ILE 536 2HD1 ILE 536 6.586 -12.906 5.728 275 3HD1 ILE 536 3HD1 ILE 536 5.265 -11.975 5.019 276 H VAL 537 H VAL 537 4.311 -8.942 2.904 277 HA VAL 537 HA VAL 537 4.079 -8.312 0.060 278 HB VAL 537 HB VAL 537 2.678 -6.889 2.345 279 1HG1 VAL 537 1HG1 VAL 537 3.077 -5.441 0.441 280 2HG1 VAL 537 2HG1 VAL 537 1.356 -5.797 0.597 281 3HG1 VAL 537 3HG1 VAL 537 2.320 -6.614 -0.635 282 1HG2 VAL 537 1HG2 VAL 537 1.548 -8.871 0.367 283 2HG2 VAL 537 2HG2 VAL 537 0.606 -7.941 1.527 284 3HG2 VAL 537 3HG2 VAL 537 1.780 -9.135 2.093 285 HA PRO 538 HA PRO 538 7.639 -5.771 1.312 286 1HB PRO 538 1HB PRO 538 8.442 -5.197 -1.212 287 2HB PRO 538 2HB PRO 538 8.815 -6.738 -0.423 288 1HG PRO 538 1HG PRO 538 6.719 -6.080 -2.441 289 2HG PRO 538 2HG PRO 538 7.724 -7.532 -2.297 290 1HD PRO 538 1HD PRO 538 5.127 -7.392 -1.483 291 2HD PRO 538 2HD PRO 538 6.320 -8.501 -0.781 292 H TYR 539 H TYR 539 7.925 -3.570 1.469 293 HA TYR 539 HA TYR 539 6.411 -1.825 -0.264 294 1HB TYR 539 1HB TYR 539 5.301 -0.627 1.504 295 2HB TYR 539 2HB TYR 539 4.919 -2.334 1.680 296 HD1 TYR 539 HD1 TYR 539 6.663 0.518 3.154 297 HD2 TYR 539 HD2 TYR 539 5.739 -3.602 3.595 298 HE1 TYR 539 HE1 TYR 539 7.372 0.626 5.489 299 HE2 TYR 539 HE2 TYR 539 6.450 -3.506 5.949 300 HH TYR 539 HH TYR 539 7.861 -2.159 7.380 301 H LYS 540 H LYS 540 7.098 0.413 0.021 302 HA LYS 540 HA LYS 540 9.394 0.938 1.635 303 1HB LYS 540 1HB LYS 540 11.018 1.361 -0.051 304 2HB LYS 540 2HB LYS 540 10.351 -0.204 -0.441 305 1HG LYS 540 1HG LYS 540 9.749 2.412 -1.830 306 2HG LYS 540 2HG LYS 540 10.730 1.101 -2.461 307 1HD LYS 540 1HD LYS 540 8.685 -0.339 -2.424 308 2HD LYS 540 2HD LYS 540 7.769 1.080 -1.912 309 1HE LYS 540 1HE LYS 540 7.451 0.983 -4.253 310 2HE LYS 540 2HE LYS 540 8.676 2.220 -3.989 311 1HZ LYS 540 1HZ LYS 540 9.205 -0.578 -4.824 312 2HZ LYS 540 2HZ LYS 540 10.394 0.598 -4.567 313 3HZ LYS 540 3HZ LYS 540 9.295 0.778 -5.809 314 H THR 541 H THR 541 9.870 3.166 1.730 315 HA THR 541 HA THR 541 7.690 4.859 0.938 316 HB THR 541 HB THR 541 9.221 6.532 2.216 317 HG1 THR 541 HG1 THR 541 11.104 5.082 2.232 318 1HG2 THR 541 1HG2 THR 541 7.993 4.177 3.648 319 2HG2 THR 541 2HG2 THR 541 7.134 5.642 3.159 320 3HG2 THR 541 3HG2 THR 541 8.399 5.718 4.391 321 H ILE 542 H ILE 542 7.791 6.124 -0.822 322 HA ILE 542 HA ILE 542 10.354 6.469 -2.171 323 HB ILE 542 HB ILE 542 7.564 7.307 -3.023 324 1HG1 ILE 542 1HG1 ILE 542 8.017 5.646 -4.961 325 2HG1 ILE 542 2HG1 ILE 542 9.288 5.005 -3.935 326 1HG2 ILE 542 1HG2 ILE 542 9.157 8.868 -3.906 327 2HG2 ILE 542 2HG2 ILE 542 8.504 7.879 -5.210 328 3HG2 ILE 542 3HG2 ILE 542 10.127 7.556 -4.584 329 1HD1 ILE 542 1HD1 ILE 542 6.370 5.146 -3.249 330 2HD1 ILE 542 2HD1 ILE 542 7.633 4.436 -2.241 331 3HD1 ILE 542 3HD1 ILE 542 7.223 3.704 -3.795 332 H GLU 543 H GLU 543 11.501 8.263 -1.657 333 HA GLU 543 HA GLU 543 10.429 10.079 0.136 334 1HB GLU 543 1HB GLU 543 12.600 11.424 -0.292 335 2HB GLU 543 2HB GLU 543 12.663 9.887 0.531 336 1HG GLU 543 1HG GLU 543 14.457 10.121 -0.914 337 2HG GLU 543 2HG GLU 543 13.439 8.836 -1.532 338 H GLY 544 H GLY 544 11.203 10.691 -3.249 339 1HA GLY 544 1HA GLY 544 10.122 12.042 -4.739 340 2HA GLY 544 2HA GLY 544 8.837 12.236 -3.561 341 H THR 545 H THR 545 9.198 13.802 -1.886 342 HA THR 545 HA THR 545 10.936 16.015 -2.728 343 HB THR 545 HB THR 545 8.679 16.570 -3.419 344 HG1 THR 545 HG1 THR 545 10.040 18.057 -1.695 345 1HG2 THR 545 1HG2 THR 545 6.818 16.760 -1.826 346 2HG2 THR 545 2HG2 THR 545 7.862 16.111 -0.560 347 3HG2 THR 545 3HG2 THR 545 7.421 15.105 -1.936 348 H ALA 546 H ALA 546 10.326 13.814 -0.362 349 HA ALA 546 HA ALA 546 11.270 15.641 1.722 350 1HB ALA 546 1HB ALA 546 10.382 14.021 3.360 351 2HB ALA 546 2HB ALA 546 9.771 13.020 2.034 352 3HB ALA 546 3HB ALA 546 9.126 14.647 2.300 353 H ARG 547 H ARG 547 12.630 14.153 3.433 354 HA ARG 547 HA ARG 547 14.585 12.869 1.664 355 1HB ARG 547 1HB ARG 547 15.204 14.420 4.175 356 2HB ARG 547 2HB ARG 547 16.359 13.446 3.301 357 1HG ARG 547 1HG ARG 547 16.714 15.694 2.695 358 2HG ARG 547 2HG ARG 547 15.981 14.818 1.339 359 1HD ARG 547 1HD ARG 547 13.881 15.713 1.790 360 2HD ARG 547 2HD ARG 547 14.401 16.457 3.298 361 HE ARG 547 HE ARG 547 14.926 17.411 0.578 362 1HH1 ARG 547 1HH1 ARG 547 15.381 17.896 4.089 363 2HH1 ARG 547 2HH1 ARG 547 15.810 19.512 3.947 364 1HH2 ARG 547 1HH2 ARG 547 15.493 19.680 0.419 365 2HH2 ARG 547 2HH2 ARG 547 15.880 20.561 1.823 366 H GLY 548 H GLY 548 15.238 11.105 2.017 367 1HA GLY 548 1HA GLY 548 13.952 9.420 4.052 368 2HA GLY 548 2HA GLY 548 14.901 8.823 2.700 369 H GLY 549 H GLY 549 15.586 7.438 4.641 370 1HA GLY 549 1HA GLY 549 17.392 6.735 5.878 371 2HA GLY 549 2HA GLY 549 18.243 8.129 5.290 372 H GLY 550 H GLY 550 15.295 8.859 6.986 373 1HA GLY 550 1HA GLY 550 14.966 9.503 9.157 374 2HA GLY 550 2HA GLY 550 16.634 9.074 9.522 375 H GLU 551 H GLU 551 16.582 10.897 6.746 376 HA GLU 551 HA GLU 551 17.750 13.099 8.099 377 1HB GLU 551 1HB GLU 551 18.646 12.416 5.940 378 2HB GLU 551 2HB GLU 551 17.104 12.728 5.166 379 1HG GLU 551 1HG GLU 551 17.339 15.046 5.384 380 2HG GLU 551 2HG GLU 551 18.685 14.907 6.523 381 H ASP 552 H ASP 552 14.702 12.636 6.361 382 HA ASP 552 HA ASP 552 13.701 14.893 7.955 383 1HB ASP 552 1HB ASP 552 14.093 15.430 5.414 384 2HB ASP 552 2HB ASP 552 12.627 14.472 5.169 385 H PHE 553 H PHE 553 13.144 11.865 6.318 386 HA PHE 553 HA PHE 553 11.260 11.228 8.399 387 1HB PHE 553 1HB PHE 553 9.657 10.194 6.936 388 2HB PHE 553 2HB PHE 553 9.936 11.809 6.309 389 HD1 PHE 553 HD1 PHE 553 10.325 8.237 5.727 390 HD2 PHE 553 HD2 PHE 553 11.072 12.110 4.178 391 HE1 PHE 553 HE1 PHE 553 10.765 7.257 3.512 392 HE2 PHE 553 HE2 PHE 553 11.526 11.132 1.960 393 HZ PHE 553 HZ PHE 553 11.376 8.711 1.632 394 H GLU 554 H GLU 554 11.156 8.823 8.655 395 HA GLU 554 HA GLU 554 13.752 7.669 8.054 396 1HB GLU 554 1HB GLU 554 12.514 7.680 10.321 397 2HB GLU 554 2HB GLU 554 11.475 6.469 9.627 398 1HG GLU 554 1HG GLU 554 14.457 6.220 10.055 399 2HG GLU 554 2HG GLU 554 13.217 5.546 11.091 400 H ASP 555 H ASP 555 13.969 6.416 6.332 401 HA ASP 555 HA ASP 555 11.723 5.833 4.637 402 1HB ASP 555 1HB ASP 555 13.704 6.508 3.514 403 2HB ASP 555 2HB ASP 555 14.686 5.334 4.368 404 H THR 556 H THR 556 10.459 4.345 5.398 405 HA THR 556 HA THR 556 11.659 1.977 6.478 406 HB THR 556 HB THR 556 9.878 2.942 7.805 407 HG1 THR 556 HG1 THR 556 8.497 0.690 6.993 408 1HG2 THR 556 1HG2 THR 556 7.513 2.781 7.015 409 2HG2 THR 556 2HG2 THR 556 8.160 2.509 5.380 410 3HG2 THR 556 3HG2 THR 556 8.499 4.013 6.226 411 H CYS 557 H CYS 557 12.436 0.883 4.943 412 HA CYS 557 HA CYS 557 10.669 -0.089 2.859 413 1HB CYS 557 1HB CYS 557 12.982 -0.808 1.904 414 2HB CYS 557 2HB CYS 557 12.494 0.885 1.811 415 HG CYS 557 HG CYS 557 14.253 1.901 3.276 416 H GLY 558 H GLY 558 9.764 -1.936 3.475 417 1HA GLY 558 1HA GLY 558 11.389 -3.986 4.603 418 2HA GLY 558 2HA GLY 558 10.185 -3.313 5.700 419 H GLU 559 H GLU 559 9.144 -5.315 5.724 420 HA GLU 559 HA GLU 559 7.464 -5.799 3.414 421 1HB GLU 559 1HB GLU 559 9.329 -7.798 4.681 422 2HB GLU 559 2HB GLU 559 8.003 -8.245 3.603 423 1HG GLU 559 1HG GLU 559 9.028 -7.320 1.758 424 2HG GLU 559 2HG GLU 559 10.103 -6.293 2.716 425 H LEU 560 H LEU 560 5.484 -6.270 4.031 426 HA LEU 560 HA LEU 560 4.874 -6.506 6.864 427 1HB LEU 560 1HB LEU 560 3.131 -6.170 4.426 428 2HB LEU 560 2HB LEU 560 2.519 -6.309 6.060 429 HG LEU 560 HG LEU 560 4.327 -4.083 5.114 430 1HD1 LEU 560 1HD1 LEU 560 1.340 -4.116 5.488 431 2HD1 LEU 560 2HD1 LEU 560 2.201 -3.993 3.949 432 3HD1 LEU 560 3HD1 LEU 560 2.329 -2.699 5.138 433 1HD2 LEU 560 1HD2 LEU 560 3.583 -2.987 7.185 434 2HD2 LEU 560 2HD2 LEU 560 4.466 -4.475 7.510 435 3HD2 LEU 560 3HD2 LEU 560 2.706 -4.450 7.637 436 H GLU 561 H GLU 561 4.020 -8.297 7.761 437 HA GLU 561 HA GLU 561 3.989 -10.681 6.081 438 1HB GLU 561 1HB GLU 561 5.586 -10.606 7.989 439 2HB GLU 561 2HB GLU 561 4.238 -10.389 9.087 440 1HG GLU 561 1HG GLU 561 3.404 -12.606 8.534 441 2HG GLU 561 2HG GLU 561 4.698 -12.789 7.347 442 H PHE 562 H PHE 562 1.966 -11.022 5.359 443 HA PHE 562 HA PHE 562 -0.357 -10.603 7.136 444 1HB PHE 562 1HB PHE 562 0.000 -10.831 4.180 445 2HB PHE 562 2HB PHE 562 -1.510 -11.359 4.887 446 HD1 PHE 562 HD1 PHE 562 -2.815 -9.669 6.256 447 HD2 PHE 562 HD2 PHE 562 0.369 -8.618 3.652 448 HE1 PHE 562 HE1 PHE 562 -3.738 -7.393 6.059 449 HE2 PHE 562 HE2 PHE 562 -0.534 -6.333 3.453 450 HZ PHE 562 HZ PHE 562 -2.600 -5.723 4.656 451 H GLN 563 H GLN 563 -1.379 -12.302 7.975 452 HA GLN 563 HA GLN 563 -0.687 -14.909 6.813 453 1HB GLN 563 1HB GLN 563 -1.579 -14.343 9.630 454 2HB GLN 563 2HB GLN 563 -1.061 -15.889 8.985 455 1HG GLN 563 1HG GLN 563 1.163 -14.920 8.546 456 2HG GLN 563 2HG GLN 563 0.613 -13.436 9.321 457 1HE2 GLN 563 1HE2 GLN 563 1.582 -16.700 9.763 458 2HE2 GLN 563 2HE2 GLN 563 1.705 -16.660 11.476 459 H ASN 564 H ASN 564 -2.381 -16.503 6.865 460 HA ASN 564 HA ASN 564 -4.894 -15.528 6.020 461 1HB ASN 564 1HB ASN 564 -5.595 -17.864 5.924 462 2HB ASN 564 2HB ASN 564 -3.976 -17.689 5.270 463 1HD2 ASN 564 1HD2 ASN 564 -5.933 -19.116 7.731 464 2HD2 ASN 564 2HD2 ASN 564 -4.669 -20.051 8.441 465 H ASP 565 H ASP 565 -3.551 -16.393 8.992 466 HA ASP 565 HA ASP 565 -6.044 -16.664 10.440 467 1HB ASP 565 1HB ASP 565 -4.265 -18.230 10.924 468 2HB ASP 565 2HB ASP 565 -3.143 -16.917 11.236 469 H GLU 566 H GLU 566 -4.166 -14.153 9.421 470 HA GLU 566 HA GLU 566 -4.806 -12.480 11.747 471 1HB GLU 566 1HB GLU 566 -2.369 -12.798 11.465 472 2HB GLU 566 2HB GLU 566 -2.490 -12.253 9.799 473 1HG GLU 566 1HG GLU 566 -3.263 -10.053 10.621 474 2HG GLU 566 2HG GLU 566 -2.998 -10.630 12.264 475 H ILE 567 H ILE 567 -5.560 -10.337 11.182 476 HA ILE 567 HA ILE 567 -5.955 -9.878 8.312 477 HB ILE 567 HB ILE 567 -7.931 -8.534 8.728 478 1HG1 ILE 567 1HG1 ILE 567 -8.097 -9.413 11.587 479 2HG1 ILE 567 2HG1 ILE 567 -7.119 -8.010 11.163 480 1HG2 ILE 567 1HG2 ILE 567 -9.539 -10.258 9.378 481 2HG2 ILE 567 2HG2 ILE 567 -8.203 -11.244 9.987 482 3HG2 ILE 567 3HG2 ILE 567 -8.302 -10.861 8.269 483 1HD1 ILE 567 1HD1 ILE 567 -9.364 -7.353 11.829 484 2HD1 ILE 567 2HD1 ILE 567 -10.034 -8.351 10.521 485 3HD1 ILE 567 3HD1 ILE 567 -8.986 -6.972 10.146 486 H VAL 568 H VAL 568 -6.169 -7.569 7.847 487 HA VAL 568 HA VAL 568 -5.098 -5.671 7.509 488 HB VAL 568 HB VAL 568 -6.786 -5.346 9.434 489 1HG1 VAL 568 1HG1 VAL 568 -4.281 -4.790 10.973 490 2HG1 VAL 568 2HG1 VAL 568 -5.496 -6.022 11.319 491 3HG1 VAL 568 3HG1 VAL 568 -5.902 -4.306 11.460 492 1HG2 VAL 568 1HG2 VAL 568 -4.725 -3.233 8.887 493 2HG2 VAL 568 2HG2 VAL 568 -6.343 -2.978 9.539 494 3HG2 VAL 568 3HG2 VAL 568 -6.142 -3.593 7.896 495 H LYS 569 H LYS 569 -3.311 -4.291 7.697 496 HA LYS 569 HA LYS 569 -1.112 -5.022 9.492 497 1HB LYS 569 1HB LYS 569 -0.896 -4.652 6.504 498 2HB LYS 569 2HB LYS 569 0.456 -4.389 7.573 499 1HG LYS 569 1HG LYS 569 -0.991 -7.004 7.374 500 2HG LYS 569 2HG LYS 569 0.337 -6.571 6.317 501 1HD LYS 569 1HD LYS 569 1.454 -7.768 7.941 502 2HD LYS 569 2HD LYS 569 1.587 -6.147 8.577 503 1HE LYS 569 1HE LYS 569 0.020 -6.513 10.229 504 2HE LYS 569 2HE LYS 569 -0.686 -7.907 9.400 505 1HZ LYS 569 1HZ LYS 569 0.593 -8.672 11.223 506 2HZ LYS 569 2HZ LYS 569 1.982 -7.806 10.734 507 3HZ LYS 569 3HZ LYS 569 1.377 -9.083 9.799 508 H THR 570 H THR 570 0.461 -3.235 9.570 509 HA THR 570 HA THR 570 -0.618 -0.704 8.631 510 HB THR 570 HB THR 570 0.252 0.318 10.791 511 HG1 THR 570 HG1 THR 570 0.485 -0.912 12.511 512 1HG2 THR 570 1HG2 THR 570 -2.192 -1.447 10.977 513 2HG2 THR 570 2HG2 THR 570 -2.130 0.185 10.304 514 3HG2 THR 570 3HG2 THR 570 -1.814 -0.072 12.020 515 H ILE 571 H ILE 571 0.884 0.545 7.719 516 HA ILE 571 HA ILE 571 3.653 -0.301 7.871 517 HB ILE 571 HB ILE 571 2.414 2.080 6.415 518 1HG1 ILE 571 1HG1 ILE 571 3.270 0.859 4.354 519 2HG1 ILE 571 2HG1 ILE 571 3.515 -0.540 5.389 520 1HG2 ILE 571 1HG2 ILE 571 5.275 1.159 6.328 521 2HG2 ILE 571 2HG2 ILE 571 4.674 2.574 7.181 522 3HG2 ILE 571 3HG2 ILE 571 4.578 2.506 5.420 523 1HD1 ILE 571 1HD1 ILE 571 0.908 0.839 4.863 524 2HD1 ILE 571 2HD1 ILE 571 1.150 -0.595 5.866 525 3HD1 ILE 571 3HD1 ILE 571 1.455 -0.667 4.130 526 H SER 572 H SER 572 4.949 0.420 9.436 527 HA SER 572 HA SER 572 4.072 2.696 10.978 528 1HB SER 572 1HB SER 572 5.939 1.795 12.497 529 2HB SER 572 2HB SER 572 4.502 0.787 12.311 530 HG SER 572 HG SER 572 7.085 0.438 11.426 531 H VAL 573 H VAL 573 4.820 4.566 10.175 532 HA VAL 573 HA VAL 573 7.600 4.624 9.201 533 HB VAL 573 HB VAL 573 5.416 6.648 8.602 534 1HG1 VAL 573 1HG1 VAL 573 8.228 6.445 7.524 535 2HG1 VAL 573 2HG1 VAL 573 7.616 7.678 8.626 536 3HG1 VAL 573 3HG1 VAL 573 7.000 7.588 6.975 537 1HG2 VAL 573 1HG2 VAL 573 5.588 5.788 6.276 538 2HG2 VAL 573 2HG2 VAL 573 4.943 4.618 7.426 539 3HG2 VAL 573 3HG2 VAL 573 6.610 4.490 6.877 540 H LYS 574 H LYS 574 9.010 5.530 10.449 541 HA LYS 574 HA LYS 574 8.266 7.114 12.709 542 1HB LYS 574 1HB LYS 574 10.172 5.622 12.892 543 2HB LYS 574 2HB LYS 574 10.946 6.361 11.515 544 1HG LYS 574 1HG LYS 574 12.050 7.099 13.506 545 2HG LYS 574 2HG LYS 574 11.173 8.460 12.815 546 1HD LYS 574 1HD LYS 574 10.943 8.402 15.246 547 2HD LYS 574 2HD LYS 574 9.384 8.132 14.465 548 1HE LYS 574 1HE LYS 574 9.529 5.775 14.867 549 2HE LYS 574 2HE LYS 574 11.182 5.923 15.447 550 1HZ LYS 574 1HZ LYS 574 8.803 7.108 16.798 551 2HZ LYS 574 2HZ LYS 574 10.384 7.172 17.318 552 3HZ LYS 574 3HZ LYS 574 9.600 5.683 17.245 553 H VAL 575 H VAL 575 7.685 9.097 12.477 554 HA VAL 575 HA VAL 575 8.636 10.671 10.241 555 HB VAL 575 HB VAL 575 6.707 11.442 12.467 556 1HG1 VAL 575 1HG1 VAL 575 7.276 12.796 9.827 557 2HG1 VAL 575 2HG1 VAL 575 7.760 13.386 11.417 558 3HG1 VAL 575 3HG1 VAL 575 6.052 13.292 10.995 559 1HG2 VAL 575 1HG2 VAL 575 5.825 9.607 11.127 560 2HG2 VAL 575 2HG2 VAL 575 6.141 10.517 9.649 561 3HG2 VAL 575 3HG2 VAL 575 4.934 11.094 10.797 562 H ILE 576 H ILE 576 10.153 12.201 10.417 563 HA ILE 576 HA ILE 576 11.643 12.274 12.920 564 HB ILE 576 HB ILE 576 12.410 13.284 10.151 565 1HG1 ILE 576 1HG1 ILE 576 12.029 10.859 10.118 566 2HG1 ILE 576 2HG1 ILE 576 13.725 11.245 9.858 567 1HG2 ILE 576 1HG2 ILE 576 14.707 13.242 10.959 568 2HG2 ILE 576 2HG2 ILE 576 14.143 12.751 12.558 569 3HG2 ILE 576 3HG2 ILE 576 13.706 14.338 11.918 570 1HD1 ILE 576 1HD1 ILE 576 12.456 10.234 12.386 571 2HD1 ILE 576 2HD1 ILE 576 14.174 10.600 12.162 572 3HD1 ILE 576 3HD1 ILE 576 13.406 9.307 11.214 573 H ASP 577 H ASP 577 12.180 14.279 13.834 574 HA ASP 577 HA ASP 577 10.262 16.371 13.514 575 1HB ASP 577 1HB ASP 577 11.398 16.011 15.690 576 2HB ASP 577 2HB ASP 577 12.928 16.477 14.962 577 H ASP 578 H ASP 578 10.449 18.367 12.523 578 HA ASP 578 HA ASP 578 12.135 18.255 10.190 579 1HB ASP 578 1HB ASP 578 9.617 19.303 10.790 580 2HB ASP 578 2HB ASP 578 10.626 20.668 10.333 581 H GLU 579 H GLU 579 12.734 20.783 9.435 582 HA GLU 579 HA GLU 579 14.141 22.185 11.490 583 1HB GLU 579 1HB GLU 579 16.417 21.610 10.935 584 2HB GLU 579 2HB GLU 579 15.535 20.174 11.412 585 1HG GLU 579 1HG GLU 579 16.052 20.911 8.527 586 2HG GLU 579 2HG GLU 579 17.155 19.925 9.471 587 H GLU 580 H GLU 580 13.794 21.618 7.969 588 HA GLU 580 HA GLU 580 15.309 24.046 7.395 589 1HB GLU 580 1HB GLU 580 15.688 23.161 5.197 590 2HB GLU 580 2HB GLU 580 16.000 21.868 6.334 591 1HG GLU 580 1HG GLU 580 13.497 22.168 4.650 592 2HG GLU 580 2HG GLU 580 14.841 21.100 4.290 593 H TYR 581 H TYR 581 14.388 24.723 4.924 594 HA TYR 581 HA TYR 581 11.932 26.072 5.345 595 1HB TYR 581 1HB TYR 581 12.076 26.768 3.054 596 2HB TYR 581 2HB TYR 581 13.743 26.672 3.590 597 HD1 TYR 581 HD1 TYR 581 11.155 25.114 1.456 598 HD2 TYR 581 HD2 TYR 581 15.263 25.002 2.603 599 HE1 TYR 581 HE1 TYR 581 11.607 23.651 -0.422 600 HE2 TYR 581 HE2 TYR 581 15.738 23.507 0.698 601 HH TYR 581 HH TYR 581 13.425 22.912 -1.794 602 H GLU 582 H GLU 582 9.848 25.492 4.402 603 HA GLU 582 HA GLU 582 9.872 22.795 3.409 604 1HB GLU 582 1HB GLU 582 8.048 23.757 5.568 605 2HB GLU 582 2HB GLU 582 7.726 22.323 4.596 606 1HG GLU 582 1HG GLU 582 10.009 21.515 5.283 607 2HG GLU 582 2HG GLU 582 9.994 22.818 6.471 608 H LYS 583 H LYS 583 8.202 22.101 2.322 609 HA LYS 583 HA LYS 583 6.523 24.053 1.042 610 1HB LYS 583 1HB LYS 583 6.921 22.854 -1.107 611 2HB LYS 583 2HB LYS 583 8.388 23.586 -0.482 612 1HG LYS 583 1HG LYS 583 9.114 21.405 0.375 613 2HG LYS 583 2HG LYS 583 7.646 20.672 -0.268 614 1HD LYS 583 1HD LYS 583 9.693 22.124 -1.931 615 2HD LYS 583 2HD LYS 583 9.667 20.378 -1.694 616 1HE LYS 583 1HE LYS 583 7.449 22.010 -2.947 617 2HE LYS 583 2HE LYS 583 8.642 21.074 -3.828 618 1HZ LYS 583 1HZ LYS 583 6.565 19.951 -1.985 619 2HZ LYS 583 2HZ LYS 583 7.842 19.086 -2.668 620 3HZ LYS 583 3HZ LYS 583 6.682 19.764 -3.665 621 H ASN 584 H ASN 584 4.905 22.231 -0.300 622 HA ASN 584 HA ASN 584 3.920 20.518 1.778 623 1HB ASN 584 1HB ASN 584 2.390 21.446 0.036 624 2HB ASN 584 2HB ASN 584 3.243 20.515 -1.191 625 1HD2 ASN 584 1HD2 ASN 584 2.848 18.284 -1.361 626 2HD2 ASN 584 2HD2 ASN 584 1.556 17.532 -0.500 627 H LYS 585 H LYS 585 5.163 18.789 2.406 628 HA LYS 585 HA LYS 585 6.306 17.335 0.209 629 1HB LYS 585 1HB LYS 585 8.187 16.588 1.683 630 2HB LYS 585 2HB LYS 585 8.174 18.299 1.341 631 1HG LYS 585 1HG LYS 585 8.821 18.107 3.559 632 2HG LYS 585 2HG LYS 585 7.114 18.570 3.669 633 1HD LYS 585 1HD LYS 585 6.581 16.182 4.019 634 2HD LYS 585 2HD LYS 585 8.305 15.811 3.986 635 1HE LYS 585 1HE LYS 585 6.841 17.533 5.975 636 2HE LYS 585 2HE LYS 585 7.571 15.955 6.272 637 1HZ LYS 585 1HZ LYS 585 9.802 17.015 5.836 638 2HZ LYS 585 2HZ LYS 585 8.990 17.720 7.121 639 3HZ LYS 585 3HZ LYS 585 8.999 18.494 5.660 640 H THR 586 H THR 586 6.405 15.108 0.232 641 HA THR 586 HA THR 586 4.795 13.635 2.074 642 HB THR 586 HB THR 586 3.004 14.702 0.846 643 HG1 THR 586 HG1 THR 586 2.826 12.482 1.172 644 1HG2 THR 586 1HG2 THR 586 4.236 15.498 -1.105 645 2HG2 THR 586 2HG2 THR 586 2.769 14.639 -1.557 646 3HG2 THR 586 3HG2 THR 586 4.343 13.841 -1.723 647 H PHE 587 H PHE 587 4.933 11.563 1.823 648 HA PHE 587 HA PHE 587 6.790 10.649 -0.176 649 1HB PHE 587 1HB PHE 587 7.341 8.807 1.600 650 2HB PHE 587 2HB PHE 587 8.153 10.355 1.653 651 HD1 PHE 587 HD1 PHE 587 5.261 8.490 3.242 652 HD2 PHE 587 HD2 PHE 587 8.200 11.547 3.579 653 HE1 PHE 587 HE1 PHE 587 4.763 8.737 5.641 654 HE2 PHE 587 HE2 PHE 587 7.685 11.764 5.970 655 HZ PHE 587 HZ PHE 587 5.965 10.352 6.989 656 H PHE 588 H PHE 588 6.413 8.732 -1.064 657 HA PHE 588 HA PHE 588 3.570 7.970 -1.011 658 1HB PHE 588 1HB PHE 588 5.627 7.175 -3.070 659 2HB PHE 588 2HB PHE 588 3.881 7.185 -3.211 660 HD1 PHE 588 HD1 PHE 588 6.862 8.993 -3.809 661 HD2 PHE 588 HD2 PHE 588 2.704 9.466 -3.117 662 HE1 PHE 588 HE1 PHE 588 6.969 11.251 -4.771 663 HE2 PHE 588 HE2 PHE 588 2.793 11.719 -4.089 664 HZ PHE 588 HZ PHE 588 4.930 12.619 -4.912 665 H LEU 589 H LEU 589 3.025 6.046 -0.295 666 HA LEU 589 HA LEU 589 5.164 4.114 0.283 667 1HB LEU 589 1HB LEU 589 3.390 5.035 2.064 668 2HB LEU 589 2HB LEU 589 2.349 3.879 1.271 669 HG LEU 589 HG LEU 589 3.197 2.948 3.306 670 1HD1 LEU 589 1HD1 LEU 589 4.460 1.606 0.942 671 2HD1 LEU 589 2HD1 LEU 589 2.823 1.362 1.542 672 3HD1 LEU 589 3HD1 LEU 589 4.205 0.877 2.525 673 1HD2 LEU 589 1HD2 LEU 589 5.581 2.499 3.618 674 2HD2 LEU 589 2HD2 LEU 589 5.170 4.214 3.557 675 3HD2 LEU 589 3HD2 LEU 589 5.924 3.440 2.161 676 H GLU 590 H GLU 590 5.209 2.396 -1.014 677 HA GLU 590 HA GLU 590 2.742 1.608 -2.382 678 1HB GLU 590 1HB GLU 590 4.186 2.694 -4.041 679 2HB GLU 590 2HB GLU 590 5.531 1.667 -3.568 680 1HG GLU 590 1HG GLU 590 4.298 -0.305 -4.356 681 2HG GLU 590 2HG GLU 590 2.957 0.729 -4.837 682 H ILE 591 H ILE 591 2.186 -0.327 -1.949 683 HA ILE 591 HA ILE 591 4.154 -2.201 -0.956 684 HB ILE 591 HB ILE 591 2.149 -3.709 -0.571 685 1HG1 ILE 591 1HG1 ILE 591 0.577 -1.208 -1.234 686 2HG1 ILE 591 2HG1 ILE 591 0.600 -2.696 -2.173 687 1HG2 ILE 591 1HG2 ILE 591 1.294 -2.471 1.406 688 2HG2 ILE 591 2HG2 ILE 591 2.229 -1.068 0.871 689 3HG2 ILE 591 3HG2 ILE 591 3.043 -2.572 1.295 690 1HD1 ILE 591 1HD1 ILE 591 -0.468 -2.369 0.615 691 2HD1 ILE 591 2HD1 ILE 591 -0.463 -3.874 -0.313 692 3HD1 ILE 591 3HD1 ILE 591 -1.425 -2.496 -0.861 693 H GLY 592 H GLY 592 4.849 -3.802 -2.166 694 1HA GLY 592 1HA GLY 592 4.270 -3.495 -5.008 695 2HA GLY 592 2HA GLY 592 5.671 -4.270 -4.286 696 H GLU 593 H GLU 593 5.603 -6.065 -5.426 697 HA GLU 593 HA GLU 593 3.254 -7.635 -5.837 698 1HB GLU 593 1HB GLU 593 5.063 -7.486 -7.473 699 2HB GLU 593 2HB GLU 593 6.181 -8.181 -6.302 700 1HG GLU 593 1HG GLU 593 4.734 -10.224 -6.355 701 2HG GLU 593 2HG GLU 593 3.895 -9.486 -7.722 702 HA PRO 594 HA PRO 594 3.951 -9.599 -1.852 703 1HB PRO 594 1HB PRO 594 1.641 -10.966 -1.770 704 2HB PRO 594 2HB PRO 594 1.690 -9.212 -1.535 705 1HG PRO 594 1HG PRO 594 0.982 -10.754 -3.990 706 2HG PRO 594 2HG PRO 594 0.172 -9.346 -3.289 707 1HD PRO 594 1HD PRO 594 1.909 -9.210 -5.365 708 2HD PRO 594 2HD PRO 594 1.660 -7.880 -4.216 709 H ARG 595 H ARG 595 4.219 -11.812 -1.136 710 HA ARG 595 HA ARG 595 4.408 -13.750 -3.307 711 1HB ARG 595 1HB ARG 595 6.630 -14.454 -2.633 712 2HB ARG 595 2HB ARG 595 6.661 -12.740 -2.998 713 1HG ARG 595 1HG ARG 595 6.466 -12.312 -0.548 714 2HG ARG 595 2HG ARG 595 6.702 -14.042 -0.295 715 1HD ARG 595 1HD ARG 595 8.804 -12.964 -0.039 716 2HD ARG 595 2HD ARG 595 8.846 -13.840 -1.571 717 HE ARG 595 HE ARG 595 8.403 -11.690 -2.666 718 1HH1 ARG 595 1HH1 ARG 595 9.851 -11.732 0.545 719 2HH1 ARG 595 2HH1 ARG 595 10.393 -10.122 0.493 720 1HH2 ARG 595 1HH2 ARG 595 9.234 -9.500 -2.818 721 2HH2 ARG 595 2HH2 ARG 595 10.115 -8.841 -1.521 722 H LEU 596 H LEU 596 3.945 -15.776 -2.706 723 HA LEU 596 HA LEU 596 2.661 -16.091 -0.141 724 1HB LEU 596 1HB LEU 596 2.266 -17.100 -2.687 725 2HB LEU 596 2HB LEU 596 3.042 -18.437 -1.874 726 HG LEU 596 HG LEU 596 0.798 -18.900 -1.671 727 1HD1 LEU 596 1HD1 LEU 596 0.158 -18.688 0.655 728 2HD1 LEU 596 2HD1 LEU 596 1.452 -17.518 0.900 729 3HD1 LEU 596 3HD1 LEU 596 1.839 -19.178 0.449 730 1HD2 LEU 596 1HD2 LEU 596 -0.924 -17.247 -0.945 731 2HD2 LEU 596 2HD2 LEU 596 -0.176 -16.912 -2.500 732 3HD2 LEU 596 3HD2 LEU 596 0.312 -15.988 -1.085 733 H VAL 597 H VAL 597 3.713 -17.034 1.542 734 HA VAL 597 HA VAL 597 6.504 -17.634 1.286 735 HB VAL 597 HB VAL 597 4.658 -18.054 3.677 736 1HG1 VAL 597 1HG1 VAL 597 6.693 -18.143 5.041 737 2HG1 VAL 597 2HG1 VAL 597 7.681 -18.028 3.586 738 3HG1 VAL 597 3HG1 VAL 597 6.677 -19.452 3.856 739 1HG2 VAL 597 1HG2 VAL 597 6.580 -15.832 3.023 740 2HG2 VAL 597 2HG2 VAL 597 5.654 -15.986 4.515 741 3HG2 VAL 597 3HG2 VAL 597 4.820 -15.735 2.981 742 H GLU 598 H GLU 598 3.647 -19.482 1.157 743 HA GLU 598 HA GLU 598 5.254 -21.912 0.912 744 1HB GLU 598 1HB GLU 598 3.182 -23.176 1.395 745 2HB GLU 598 2HB GLU 598 3.667 -22.151 2.735 746 1HG GLU 598 1HG GLU 598 1.981 -20.544 2.180 747 2HG GLU 598 2HG GLU 598 1.563 -21.439 0.717 748 H MET 599 H MET 599 4.437 -23.412 -0.786 749 HA MET 599 HA MET 599 3.885 -21.788 -3.110 750 1HB MET 599 1HB MET 599 5.597 -23.602 -3.166 751 2HB MET 599 2HB MET 599 4.290 -24.769 -2.989 752 1HG MET 599 1HG MET 599 3.264 -23.724 -5.056 753 2HG MET 599 2HG MET 599 4.801 -22.897 -5.279 754 1HE MET 599 1HE MET 599 2.829 -26.157 -5.332 755 2HE MET 599 2HE MET 599 3.927 -26.555 -4.013 756 3HE MET 599 3HE MET 599 4.043 -27.418 -5.551 757 H SER 600 H SER 600 1.839 -21.275 -3.369 758 HA SER 600 HA SER 600 -0.309 -22.963 -2.657 759 1HB SER 600 1HB SER 600 -0.171 -20.546 -4.386 760 2HB SER 600 2HB SER 600 -1.666 -21.303 -3.819 761 HG SER 600 HG SER 600 -0.413 -21.002 -1.659 762 H GLU 601 H GLU 601 -0.707 -24.751 -3.677 763 HA GLU 601 HA GLU 601 -1.368 -24.682 -6.463 764 1HB GLU 601 1HB GLU 601 0.890 -25.666 -6.498 765 2HB GLU 601 2HB GLU 601 0.458 -26.768 -5.202 766 1HG GLU 601 1HG GLU 601 0.541 -27.841 -7.438 767 2HG GLU 601 2HG GLU 601 -1.022 -27.987 -6.643 768 H LYS 602 H LYS 602 -3.046 -26.091 -6.848 769 HA LYS 602 HA LYS 602 -4.402 -26.980 -4.386 770 1HB LYS 602 1HB LYS 602 -5.338 -24.906 -5.263 771 2HB LYS 602 2HB LYS 602 -5.549 -25.644 -6.838 772 1HG LYS 602 1HG LYS 602 -7.675 -25.521 -5.740 773 2HG LYS 602 2HG LYS 602 -7.173 -27.208 -5.819 774 1HD LYS 602 1HD LYS 602 -6.450 -27.120 -3.499 775 2HD LYS 602 2HD LYS 602 -6.900 -25.416 -3.410 776 1HE LYS 602 1HE LYS 602 -8.633 -26.813 -2.423 777 2HE LYS 602 2HE LYS 602 -9.233 -26.012 -3.873 778 1HZ LYS 602 1HZ LYS 602 -8.840 -28.103 -5.103 779 2HZ LYS 602 2HZ LYS 602 -9.918 -28.322 -3.844 780 3HZ LYS 602 3HZ LYS 602 -8.335 -28.837 -3.674 781 H LYS 603 H LYS 603 -3.415 -27.710 -7.629 782 HA LYS 603 HA LYS 603 -5.150 -30.066 -7.606 783 1HB LYS 603 1HB LYS 603 -4.067 -28.519 -9.937 784 2HB LYS 603 2HB LYS 603 -4.964 -30.024 -10.076 785 1HG LYS 603 1HG LYS 603 -6.879 -28.940 -8.967 786 2HG LYS 603 2HG LYS 603 -5.966 -27.435 -8.915 787 1HD LYS 603 1HD LYS 603 -7.502 -27.423 -10.777 788 2HD LYS 603 2HD LYS 603 -5.841 -27.446 -11.364 789 1HE LYS 603 1HE LYS 603 -5.988 -29.779 -11.893 790 2HE LYS 603 2HE LYS 603 -7.553 -29.916 -11.092 791 1HZ LYS 603 1HZ LYS 603 -8.486 -28.464 -12.751 792 2HZ LYS 603 2HZ LYS 603 -7.801 -29.798 -13.491 793 3HZ LYS 603 3HZ LYS 603 -7.004 -28.305 -13.527 794 H GLY 604 H GLY 604 -2.175 -29.193 -9.377 795 1HA GLY 604 1HA GLY 604 -0.759 -31.372 -8.176 796 2HA GLY 604 2HA GLY 604 -1.215 -31.642 -9.858 797 H GLY 605 H GLY 605 1.315 -30.924 -8.217 798 1HA GLY 605 1HA GLY 605 2.161 -28.426 -9.207 799 2HA GLY 605 2HA GLY 605 3.162 -29.636 -8.437 800 H PHE 606 H PHE 606 2.655 -28.010 -11.226 801 HA PHE 606 HA PHE 606 3.374 -29.967 -13.169 802 1HB PHE 606 1HB PHE 606 3.694 -26.948 -13.190 803 2HB PHE 606 2HB PHE 606 4.057 -27.967 -14.574 804 HD1 PHE 606 HD1 PHE 606 1.464 -26.317 -12.676 805 HD2 PHE 606 HD2 PHE 606 2.219 -29.227 -15.682 806 HE1 PHE 606 HE1 PHE 606 -0.885 -26.186 -13.388 807 HE2 PHE 606 HE2 PHE 606 -0.127 -29.097 -16.400 808 HZ PHE 606 HZ PHE 606 -1.685 -27.578 -15.251 809 H THR 607 H THR 607 5.073 -27.868 -11.033 810 HA THR 607 HA THR 607 7.475 -29.435 -11.438 811 HB THR 607 HB THR 607 8.707 -27.302 -10.742 812 HG1 THR 607 HG1 THR 607 7.590 -25.551 -10.426 813 1HG2 THR 607 1HG2 THR 607 8.755 -26.344 -13.013 814 2HG2 THR 607 2HG2 THR 607 7.298 -27.253 -13.419 815 3HG2 THR 607 3HG2 THR 607 8.796 -28.108 -13.060 816 H ILE 608 H ILE 608 8.715 -29.474 -9.303 817 HA ILE 608 HA ILE 608 6.756 -29.789 -7.183 818 HB ILE 608 HB ILE 608 9.753 -30.295 -6.938 819 1HG1 ILE 608 1HG1 ILE 608 7.652 -32.234 -7.926 820 2HG1 ILE 608 2HG1 ILE 608 8.861 -31.465 -8.947 821 1HG2 ILE 608 1HG2 ILE 608 7.360 -31.568 -5.571 822 2HG2 ILE 608 2HG2 ILE 608 8.436 -30.375 -4.844 823 3HG2 ILE 608 3HG2 ILE 608 9.050 -31.973 -5.272 824 1HD1 ILE 608 1HD1 ILE 608 9.404 -33.367 -6.678 825 2HD1 ILE 608 2HD1 ILE 608 10.626 -32.604 -7.695 826 3HD1 ILE 608 3HD1 ILE 608 9.478 -33.745 -8.398 827 H THR 609 H THR 609 7.806 -27.214 -8.272 828 HA THR 609 HA THR 609 7.547 -25.679 -5.999 829 HB THR 609 HB THR 609 9.801 -26.241 -5.352 830 HG1 THR 609 HG1 THR 609 9.774 -24.190 -4.842 831 1HG2 THR 609 1HG2 THR 609 11.764 -25.869 -6.793 832 2HG2 THR 609 2HG2 THR 609 10.693 -25.378 -8.108 833 3HG2 THR 609 3HG2 THR 609 10.649 -27.035 -7.512 834 H GLU 610 H GLU 610 6.528 -24.004 -6.710 835 HA GLU 610 HA GLU 610 7.333 -22.813 -9.280 836 1HB GLU 610 1HB GLU 610 4.638 -22.753 -7.945 837 2HB GLU 610 2HB GLU 610 5.060 -21.858 -9.389 838 1HG GLU 610 1HG GLU 610 5.626 -24.149 -10.379 839 2HG GLU 610 2HG GLU 610 4.675 -24.784 -9.032 840 H GLU 611 H GLU 611 8.143 -22.468 -6.448 841 HA GLU 611 HA GLU 611 7.363 -19.888 -5.566 842 1HB GLU 611 1HB GLU 611 9.897 -21.439 -5.058 843 2HB GLU 611 2HB GLU 611 9.311 -20.076 -4.108 844 1HG GLU 611 1HG GLU 611 7.483 -21.313 -3.287 845 2HG GLU 611 2HG GLU 611 7.746 -22.607 -4.458 846 H TYR 612 H TYR 612 7.593 -18.299 -6.928 847 HA TYR 612 HA TYR 612 8.374 -16.766 -8.377 848 1HB TYR 612 1HB TYR 612 11.214 -17.623 -7.752 849 2HB TYR 612 2HB TYR 612 10.645 -16.031 -8.228 850 HD1 TYR 612 HD1 TYR 612 8.866 -15.001 -6.461 851 HD2 TYR 612 HD2 TYR 612 11.823 -17.915 -5.596 852 HE1 TYR 612 HE1 TYR 612 8.782 -14.377 -4.059 853 HE2 TYR 612 HE2 TYR 612 11.752 -17.326 -3.232 854 HH TYR 612 HH TYR 612 11.143 -15.442 -1.842 855 H ASP 613 H ASP 613 7.392 -18.428 -9.783 856 HA ASP 613 HA ASP 613 9.215 -20.075 -11.274 857 1HB ASP 613 1HB ASP 613 7.306 -20.935 -12.483 858 2HB ASP 613 2HB ASP 613 6.877 -20.837 -10.784 859 H ASP 614 H ASP 614 7.520 -17.129 -11.785 860 HA ASP 614 HA ASP 614 9.222 -16.613 -14.118 861 1HB ASP 614 1HB ASP 614 6.945 -17.119 -14.900 862 2HB ASP 614 2HB ASP 614 6.312 -15.883 -13.809 863 H LYS 615 H LYS 615 10.513 -15.077 -13.473 864 HA LYS 615 HA LYS 615 9.588 -13.379 -11.316 865 1HB LYS 615 1HB LYS 615 12.425 -13.705 -12.291 866 2HB LYS 615 2HB LYS 615 11.922 -12.721 -10.937 867 1HG LYS 615 1HG LYS 615 12.697 -14.637 -9.879 868 2HG LYS 615 2HG LYS 615 10.957 -14.911 -9.993 869 1HD LYS 615 1HD LYS 615 12.095 -16.951 -10.581 870 2HD LYS 615 2HD LYS 615 11.346 -16.276 -12.028 871 1HE LYS 615 1HE LYS 615 13.514 -15.348 -12.715 872 2HE LYS 615 2HE LYS 615 14.253 -16.007 -11.256 873 1HZ LYS 615 1HZ LYS 615 14.642 -17.411 -13.173 874 2HZ LYS 615 2HZ LYS 615 12.999 -17.583 -13.432 875 3HZ LYS 615 3HZ LYS 615 13.698 -18.229 -12.043 876 H GLN 616 H GLN 616 8.251 -12.215 -12.709 877 HA GLN 616 HA GLN 616 9.660 -9.849 -13.628 878 1HB GLN 616 1HB GLN 616 7.364 -11.202 -15.085 879 2HB GLN 616 2HB GLN 616 7.869 -9.552 -15.404 880 1HG GLN 616 1HG GLN 616 10.153 -10.509 -15.927 881 2HG GLN 616 2HG GLN 616 9.375 -12.090 -15.924 882 1HE2 GLN 616 1HE2 GLN 616 9.628 -9.031 -17.516 883 2HE2 GLN 616 2HE2 GLN 616 8.830 -9.497 -18.970 884 HA PRO 617 HA PRO 617 6.842 -7.753 -10.938 885 1HB PRO 617 1HB PRO 617 6.221 -5.808 -13.078 886 2HB PRO 617 2HB PRO 617 6.901 -5.520 -11.478 887 1HG PRO 617 1HG PRO 617 8.440 -5.336 -13.638 888 2HG PRO 617 2HG PRO 617 9.063 -6.075 -12.152 889 1HD PRO 617 1HD PRO 617 8.059 -7.394 -14.645 890 2HD PRO 617 2HD PRO 617 9.485 -7.785 -13.659 891 H LEU 618 H LEU 618 4.603 -6.342 -11.281 892 HA LEU 618 HA LEU 618 2.661 -8.312 -11.586 893 1HB LEU 618 1HB LEU 618 2.420 -5.321 -11.377 894 2HB LEU 618 2HB LEU 618 1.017 -6.369 -11.431 895 HG LEU 618 HG LEU 618 1.317 -5.821 -9.185 896 1HD1 LEU 618 1HD1 LEU 618 0.858 -8.141 -9.540 897 2HD1 LEU 618 2HD1 LEU 618 1.827 -7.915 -8.076 898 3HD1 LEU 618 3HD1 LEU 618 2.582 -8.505 -9.562 899 1HD2 LEU 618 1HD2 LEU 618 3.557 -4.885 -9.246 900 2HD2 LEU 618 2HD2 LEU 618 4.251 -6.498 -9.430 901 3HD2 LEU 618 3HD2 LEU 618 3.426 -6.057 -7.938 902 H THR 619 H THR 619 2.250 -9.235 -13.466 903 HA THR 619 HA THR 619 1.993 -7.541 -15.815 904 HB THR 619 HB THR 619 2.941 -9.657 -16.998 905 HG1 THR 619 HG1 THR 619 4.167 -9.988 -14.465 906 1HG2 THR 619 1HG2 THR 619 4.711 -7.932 -15.259 907 2HG2 THR 619 2HG2 THR 619 4.122 -7.498 -16.864 908 3HG2 THR 619 3HG2 THR 619 5.238 -8.852 -16.667 909 H SER 620 H SER 620 0.031 -8.986 -13.915 910 HA SER 620 HA SER 620 -1.225 -10.892 -15.739 911 1HB SER 620 1HB SER 620 -2.115 -10.283 -12.932 912 2HB SER 620 2HB SER 620 -2.141 -11.817 -13.797 913 HG SER 620 HG SER 620 -0.123 -12.234 -13.079 914 H LYS 621 H LYS 621 -1.310 -8.085 -16.325 915 HA LYS 621 HA LYS 621 -3.694 -6.888 -15.199 916 1HB LYS 621 1HB LYS 621 -1.947 -5.773 -17.382 917 2HB LYS 621 2HB LYS 621 -3.116 -4.896 -16.413 918 1HG LYS 621 1HG LYS 621 -1.737 -5.371 -14.416 919 2HG LYS 621 2HG LYS 621 -0.544 -6.124 -15.469 920 1HD LYS 621 1HD LYS 621 -1.425 -3.230 -15.512 921 2HD LYS 621 2HD LYS 621 0.108 -3.837 -14.920 922 1HE LYS 621 1HE LYS 621 0.729 -3.076 -17.011 923 2HE LYS 621 2HE LYS 621 0.329 -4.745 -17.386 924 1HZ LYS 621 1HZ LYS 621 -1.469 -2.410 -17.769 925 2HZ LYS 621 2HZ LYS 621 -1.860 -3.976 -18.267 926 3HZ LYS 621 3HZ LYS 621 -0.602 -3.153 -18.977 927 H GLU 622 H GLU 622 -2.640 -7.766 -18.478 928 HA GLU 622 HA GLU 622 -5.200 -6.886 -19.514 929 1HB GLU 622 1HB GLU 622 -2.888 -8.114 -20.984 930 2HB GLU 622 2HB GLU 622 -4.241 -7.233 -21.676 931 1HG GLU 622 1HG GLU 622 -2.043 -6.128 -19.954 932 2HG GLU 622 2HG GLU 622 -2.306 -5.823 -21.670 933 H GLU 623 H GLU 623 -3.246 -9.772 -19.539 934 HA GLU 623 HA GLU 623 -5.400 -11.285 -20.697 935 1HB GLU 623 1HB GLU 623 -3.727 -13.053 -20.914 936 2HB GLU 623 2HB GLU 623 -3.240 -11.557 -21.682 937 1HG GLU 623 1HG GLU 623 -2.277 -12.300 -18.932 938 2HG GLU 623 2HG GLU 623 -1.460 -12.866 -20.381 939 H GLU 624 H GLU 624 -6.292 -13.057 -19.773 940 HA GLU 624 HA GLU 624 -6.113 -13.124 -16.892 941 1HB GLU 624 1HB GLU 624 -8.105 -14.525 -16.963 942 2HB GLU 624 2HB GLU 624 -8.343 -13.019 -17.834 943 1HG GLU 624 1HG GLU 624 -8.094 -14.146 -19.940 944 2HG GLU 624 2HG GLU 624 -7.714 -15.664 -19.114 945 H GLU 625 H GLU 625 -4.958 -14.798 -19.629 946 HA GLU 625 HA GLU 625 -4.713 -17.390 -18.628 947 1HB GLU 625 1HB GLU 625 -2.968 -17.758 -20.292 948 2HB GLU 625 2HB GLU 625 -4.239 -16.780 -20.997 949 1HG GLU 625 1HG GLU 625 -2.889 -14.788 -20.765 950 2HG GLU 625 2HG GLU 625 -1.633 -15.705 -19.941 951 H ARG 626 H ARG 626 -2.843 -14.545 -18.076 952 HA ARG 626 HA ARG 626 -0.736 -15.830 -16.652 953 1HB ARG 626 1HB ARG 626 -0.394 -13.687 -17.809 954 2HB ARG 626 2HB ARG 626 -1.581 -12.930 -16.761 955 1HG ARG 626 1HG ARG 626 0.725 -12.385 -16.143 956 2HG ARG 626 2HG ARG 626 -0.157 -13.202 -14.855 957 1HD ARG 626 1HD ARG 626 0.900 -15.278 -15.399 958 2HD ARG 626 2HD ARG 626 1.810 -14.540 -16.734 959 HE ARG 626 HE ARG 626 1.991 -13.895 -13.901 960 1HH1 ARG 626 1HH1 ARG 626 3.574 -14.257 -17.082 961 2HH1 ARG 626 2HH1 ARG 626 5.150 -13.982 -16.448 962 1HH2 ARG 626 1HH2 ARG 626 4.243 -13.566 -13.128 963 2HH2 ARG 626 2HH2 ARG 626 5.529 -13.636 -14.285 964 H ARG 627 H ARG 627 -3.816 -14.429 -15.862 965 HA ARG 627 HA ARG 627 -3.414 -14.161 -13.069 966 1HB ARG 627 1HB ARG 627 -6.005 -14.476 -14.581 967 2HB ARG 627 2HB ARG 627 -5.847 -13.919 -12.922 968 1HG ARG 627 1HG ARG 627 -4.596 -11.964 -13.702 969 2HG ARG 627 2HG ARG 627 -4.775 -12.520 -15.363 970 1HD ARG 627 1HD ARG 627 -7.232 -12.442 -15.063 971 2HD ARG 627 2HD ARG 627 -6.972 -11.756 -13.461 972 HE ARG 627 HE ARG 627 -5.573 -10.220 -15.295 973 1HH1 ARG 627 1HH1 ARG 627 -8.901 -10.949 -14.372 974 2HH1 ARG 627 2HH1 ARG 627 -9.572 -9.534 -15.002 975 1HH2 ARG 627 1HH2 ARG 627 -6.501 -8.218 -16.221 976 2HH2 ARG 627 2HH2 ARG 627 -8.170 -7.962 -16.116 977 H ILE 628 H ILE 628 -4.213 -16.799 -15.135 978 HA ILE 628 HA ILE 628 -5.268 -18.606 -13.265 979 HB ILE 628 HB ILE 628 -3.657 -19.061 -15.787 980 1HG1 ILE 628 1HG1 ILE 628 -6.638 -19.199 -15.304 981 2HG1 ILE 628 2HG1 ILE 628 -5.802 -17.833 -16.029 982 1HG2 ILE 628 1HG2 ILE 628 -3.551 -21.030 -14.337 983 2HG2 ILE 628 2HG2 ILE 628 -4.510 -21.350 -15.784 984 3HG2 ILE 628 3HG2 ILE 628 -5.316 -21.066 -14.241 985 1HD1 ILE 628 1HD1 ILE 628 -5.988 -20.616 -17.140 986 2HD1 ILE 628 2HD1 ILE 628 -5.076 -19.281 -17.843 987 3HD1 ILE 628 3HD1 ILE 628 -6.838 -19.177 -17.724 988 H ALA 629 H ALA 629 -1.926 -17.841 -14.189 989 HA ALA 629 HA ALA 629 -0.746 -19.821 -12.514 990 1HB ALA 629 1HB ALA 629 0.415 -17.226 -13.549 991 2HB ALA 629 2HB ALA 629 0.458 -18.774 -14.396 992 3HB ALA 629 3HB ALA 629 1.344 -18.569 -12.877 993 H GLU 630 H GLU 630 -1.631 -16.508 -12.250 994 HA GLU 630 HA GLU 630 -0.731 -16.169 -9.622 995 1HB GLU 630 1HB GLU 630 -2.206 -14.463 -11.524 996 2HB GLU 630 2HB GLU 630 -2.258 -14.036 -9.819 997 1HG GLU 630 1HG GLU 630 -0.480 -12.838 -10.958 998 2HG GLU 630 2HG GLU 630 0.204 -13.958 -9.774 999 H MET 631 H MET 631 -3.046 -18.174 -10.356 1000 HA MET 631 HA MET 631 -4.729 -17.490 -8.093 1001 1HB MET 631 1HB MET 631 -5.819 -19.632 -8.347 1002 2HB MET 631 2HB MET 631 -5.534 -19.042 -9.974 1003 1HG MET 631 1HG MET 631 -3.628 -20.529 -10.208 1004 2HG MET 631 2HG MET 631 -3.825 -21.077 -8.547 1005 1HE MET 631 1HE MET 631 -6.805 -21.979 -11.973 1006 2HE MET 631 2HE MET 631 -5.326 -21.030 -12.153 1007 3HE MET 631 3HE MET 631 -6.685 -20.383 -11.235 1008 H GLY 632 H GLY 632 -1.725 -18.908 -8.751 1009 1HA GLY 632 1HA GLY 632 -1.470 -20.021 -6.065 1010 2HA GLY 632 2HA GLY 632 -0.364 -20.297 -7.409 1011 H ARG 633 H ARG 633 -0.130 -17.556 -8.235 1012 HA ARG 633 HA ARG 633 1.566 -16.590 -6.064 1013 1HB ARG 633 1HB ARG 633 1.371 -15.743 -8.962 1014 2HB ARG 633 2HB ARG 633 2.297 -14.857 -7.776 1015 1HG ARG 633 1HG ARG 633 3.912 -16.085 -8.871 1016 2HG ARG 633 2HG ARG 633 3.582 -17.077 -7.463 1017 1HD ARG 633 1HD ARG 633 2.193 -17.576 -10.079 1018 2HD ARG 633 2HD ARG 633 3.814 -18.175 -9.792 1019 HE ARG 633 HE ARG 633 1.829 -18.901 -7.820 1020 1HH1 ARG 633 1HH1 ARG 633 3.689 -19.807 -10.697 1021 2HH1 ARG 633 2HH1 ARG 633 3.238 -21.451 -10.686 1022 1HH2 ARG 633 1HH2 ARG 633 1.241 -21.356 -7.755 1023 2HH2 ARG 633 2HH2 ARG 633 1.900 -22.307 -8.999 1024 HA PRO 634 HA PRO 634 -1.664 -13.619 -5.187 1025 1HB PRO 634 1HB PRO 634 -0.442 -12.250 -3.235 1026 2HB PRO 634 2HB PRO 634 -1.066 -13.874 -2.979 1027 1HG PRO 634 1HG PRO 634 1.759 -13.019 -3.467 1028 2HG PRO 634 2HG PRO 634 1.137 -14.248 -2.360 1029 1HD PRO 634 1HD PRO 634 2.229 -14.797 -4.818 1030 2HD PRO 634 2HD PRO 634 1.066 -15.849 -3.990 1031 H ILE 635 H ILE 635 -2.066 -11.326 -5.520 1032 HA ILE 635 HA ILE 635 0.133 -9.913 -6.764 1033 HB ILE 635 HB ILE 635 -1.562 -8.999 -8.486 1034 1HG1 ILE 635 1HG1 ILE 635 -3.228 -10.755 -9.250 1035 2HG1 ILE 635 2HG1 ILE 635 -2.969 -11.573 -7.719 1036 1HG2 ILE 635 1HG2 ILE 635 -0.480 -11.779 -8.743 1037 2HG2 ILE 635 2HG2 ILE 635 0.357 -10.271 -9.109 1038 3HG2 ILE 635 3HG2 ILE 635 -1.030 -10.767 -10.079 1039 1HD1 ILE 635 1HD1 ILE 635 -4.090 -8.807 -8.101 1040 2HD1 ILE 635 2HD1 ILE 635 -3.848 -9.614 -6.552 1041 3HD1 ILE 635 3HD1 ILE 635 -5.010 -10.258 -7.711 1042 H LEU 636 H LEU 636 -0.807 -7.596 -7.454 1043 HA LEU 636 HA LEU 636 -1.328 -6.390 -4.914 1044 1HB LEU 636 1HB LEU 636 -0.837 -4.288 -5.935 1045 2HB LEU 636 2HB LEU 636 0.292 -5.432 -6.594 1046 HG LEU 636 HG LEU 636 -0.176 -4.134 -8.404 1047 1HD1 LEU 636 1HD1 LEU 636 -1.574 -5.248 -10.022 1048 2HD1 LEU 636 2HD1 LEU 636 -2.284 -6.203 -8.723 1049 3HD1 LEU 636 3HD1 LEU 636 -0.580 -6.396 -9.111 1050 1HD2 LEU 636 1HD2 LEU 636 -2.360 -3.201 -9.023 1051 2HD2 LEU 636 2HD2 LEU 636 -1.814 -2.685 -7.429 1052 3HD2 LEU 636 3HD2 LEU 636 -3.059 -3.927 -7.576 1053 H GLY 637 H GLY 637 -3.089 -4.906 -4.513 1054 1HA GLY 637 1HA GLY 637 -5.550 -6.134 -5.418 1055 2HA GLY 637 2HA GLY 637 -5.384 -4.956 -4.134 1056 H GLU 638 H GLU 638 -6.789 -3.445 -4.661 1057 HA GLU 638 HA GLU 638 -7.476 -2.809 -7.307 1058 1HB GLU 638 1HB GLU 638 -8.915 -2.606 -5.241 1059 2HB GLU 638 2HB GLU 638 -7.979 -1.184 -4.831 1060 1HG GLU 638 1HG GLU 638 -10.062 -0.551 -5.893 1061 2HG GLU 638 2HG GLU 638 -8.704 -0.139 -6.944 1062 H HIS 639 H HIS 639 -5.795 -0.890 -4.806 1063 HA HIS 639 HA HIS 639 -4.092 0.189 -6.844 1064 1HB HIS 639 1HB HIS 639 -4.509 2.561 -6.235 1065 2HB HIS 639 2HB HIS 639 -5.911 1.795 -6.958 1066 HD1 HIS 639 HD1 HIS 639 -4.940 3.853 -4.126 1067 HD2 HIS 639 HD2 HIS 639 -7.915 1.069 -4.926 1068 HE1 HIS 639 HE1 HIS 639 -6.728 4.203 -2.375 1069 H THR 640 H THR 640 -2.106 0.179 -6.123 1070 HA THR 640 HA THR 640 -1.818 0.270 -3.251 1071 HB THR 640 HB THR 640 0.363 -0.929 -3.639 1072 HG1 THR 640 HG1 THR 640 0.946 -1.515 -5.579 1073 1HG2 THR 640 1HG2 THR 640 -2.068 -2.305 -4.805 1074 2HG2 THR 640 2HG2 THR 640 -1.693 -2.172 -3.092 1075 3HG2 THR 640 3HG2 THR 640 -0.636 -3.105 -4.152 1076 H LYS 641 H LYS 641 -1.751 2.412 -2.968 1077 HA LYS 641 HA LYS 641 0.650 3.815 -3.514 1078 1HB LYS 641 1HB LYS 641 -0.402 4.190 -5.686 1079 2HB LYS 641 2HB LYS 641 -1.914 4.613 -4.905 1080 1HG LYS 641 1HG LYS 641 -0.821 6.623 -5.742 1081 2HG LYS 641 2HG LYS 641 -0.855 6.640 -3.978 1082 1HD LYS 641 1HD LYS 641 1.450 6.064 -3.860 1083 2HD LYS 641 2HD LYS 641 1.539 5.830 -5.618 1084 1HE LYS 641 1HE LYS 641 0.882 8.397 -4.191 1085 2HE LYS 641 2HE LYS 641 2.458 7.979 -4.854 1086 1HZ LYS 641 1HZ LYS 641 1.414 7.880 -7.067 1087 2HZ LYS 641 2HZ LYS 641 1.269 9.388 -6.364 1088 3HZ LYS 641 3HZ LYS 641 -0.058 8.361 -6.409 1089 H LEU 642 H LEU 642 0.883 5.043 -1.809 1090 HA LEU 642 HA LEU 642 -1.468 6.208 -0.546 1091 1HB LEU 642 1HB LEU 642 -0.804 4.271 0.749 1092 2HB LEU 642 2HB LEU 642 0.855 4.839 0.734 1093 HG LEU 642 HG LEU 642 0.043 6.867 1.966 1094 1HD1 LEU 642 1HD1 LEU 642 -2.010 6.625 3.261 1095 2HD1 LEU 642 2HD1 LEU 642 -2.396 5.158 2.359 1096 3HD1 LEU 642 3HD1 LEU 642 -2.309 6.709 1.526 1097 1HD2 LEU 642 1HD2 LEU 642 -0.234 4.247 3.413 1098 2HD2 LEU 642 2HD2 LEU 642 0.246 5.847 4.049 1099 3HD2 LEU 642 3HD2 LEU 642 1.302 4.989 2.953 1100 H GLU 643 H GLU 643 -1.114 8.296 -0.944 1101 HA GLU 643 HA GLU 643 1.594 9.362 -0.826 1102 1HB GLU 643 1HB GLU 643 -0.062 9.985 -2.673 1103 2HB GLU 643 2HB GLU 643 -0.990 10.807 -1.425 1104 1HG GLU 643 1HG GLU 643 0.952 12.238 -0.958 1105 2HG GLU 643 2HG GLU 643 1.802 11.420 -2.269 1106 H VAL 644 H VAL 644 2.254 9.799 1.205 1107 HA VAL 644 HA VAL 644 0.281 10.506 3.249 1108 HB VAL 644 HB VAL 644 3.232 10.023 3.548 1109 1HG1 VAL 644 1HG1 VAL 644 2.738 9.691 5.899 1110 2HG1 VAL 644 2HG1 VAL 644 1.020 9.911 5.591 1111 3HG1 VAL 644 3HG1 VAL 644 2.132 11.257 5.364 1112 1HG2 VAL 644 1HG2 VAL 644 2.122 8.067 2.559 1113 2HG2 VAL 644 2HG2 VAL 644 1.010 8.022 3.933 1114 3HG2 VAL 644 3HG2 VAL 644 2.733 7.749 4.174 1115 H ILE 645 H ILE 645 -0.127 12.636 3.190 1116 HA ILE 645 HA ILE 645 2.086 14.434 2.708 1117 HB ILE 645 HB ILE 645 -0.864 15.071 3.127 1118 1HG1 ILE 645 1HG1 ILE 645 -0.570 15.957 0.675 1119 2HG1 ILE 645 2HG1 ILE 645 0.890 15.001 0.678 1120 1HG2 ILE 645 1HG2 ILE 645 -0.324 17.387 2.527 1121 2HG2 ILE 645 2HG2 ILE 645 1.391 16.971 2.517 1122 3HG2 ILE 645 3HG2 ILE 645 0.470 16.877 4.018 1123 1HD1 ILE 645 1HD1 ILE 645 -0.961 13.795 -0.369 1124 2HD1 ILE 645 2HD1 ILE 645 -1.886 13.932 1.112 1125 3HD1 ILE 645 3HD1 ILE 645 -0.410 12.976 1.089 1126 H ILE 646 H ILE 646 3.228 15.255 4.247 1127 HA ILE 646 HA ILE 646 2.312 14.847 6.998 1128 HB ILE 646 HB ILE 646 5.126 15.638 6.218 1129 1HG1 ILE 646 1HG1 ILE 646 5.551 13.002 6.585 1130 2HG1 ILE 646 2HG1 ILE 646 3.897 12.938 6.014 1131 1HG2 ILE 646 1HG2 ILE 646 4.038 14.148 8.592 1132 2HG2 ILE 646 2HG2 ILE 646 4.534 15.840 8.548 1133 3HG2 ILE 646 3HG2 ILE 646 5.730 14.563 8.326 1134 1HD1 ILE 646 1HD1 ILE 646 4.515 14.142 3.997 1135 2HD1 ILE 646 2HD1 ILE 646 5.427 12.645 4.181 1136 3HD1 ILE 646 3HD1 ILE 646 6.189 14.195 4.540 1137 H GLU 647 H GLU 647 1.338 16.621 7.642 1138 HA GLU 647 HA GLU 647 2.507 19.098 6.731 1139 1HB GLU 647 1HB GLU 647 0.253 20.124 7.169 1140 2HB GLU 647 2HB GLU 647 0.347 19.025 5.806 1141 1HG GLU 647 1HG GLU 647 -0.692 17.279 7.145 1142 2HG GLU 647 2HG GLU 647 -0.803 18.376 8.517 1143 H GLU 648 H GLU 648 2.763 20.745 8.097 1144 HA GLU 648 HA GLU 648 3.779 20.107 10.565 1145 1HB GLU 648 1HB GLU 648 2.834 22.764 9.476 1146 2HB GLU 648 2HB GLU 648 3.636 22.597 11.019 1147 1HG GLU 648 1HG GLU 648 5.152 23.332 9.216 1148 2HG GLU 648 2HG GLU 648 5.659 21.839 9.986 1149 H SER 649 H SER 649 3.045 20.033 12.541 1150 HA SER 649 HA SER 649 0.477 19.173 12.988 1151 1HB SER 649 1HB SER 649 2.352 20.258 15.057 1152 2HB SER 649 2HB SER 649 1.189 18.935 15.213 1153 HG SER 649 HG SER 649 3.704 18.983 14.192 1154 H TYR 650 H TYR 650 -1.335 20.197 13.308 1155 HA TYR 650 HA TYR 650 -1.489 22.768 14.610 1156 1HB TYR 650 1HB TYR 650 -1.214 23.633 12.410 1157 2HB TYR 650 2HB TYR 650 -2.200 22.369 11.699 1158 HD1 TYR 650 HD1 TYR 650 -4.435 22.756 11.243 1159 HD2 TYR 650 HD2 TYR 650 -2.436 25.342 13.957 1160 HE1 TYR 650 HE1 TYR 650 -6.414 24.156 11.323 1161 HE2 TYR 650 HE2 TYR 650 -4.429 26.791 14.042 1162 HH TYR 650 HH TYR 650 -6.390 27.281 12.626 1163 H GLU 651 H GLU 651 -3.346 20.418 12.685 1164 HA GLU 651 HA GLU 651 -5.158 19.851 14.813 1165 1HB GLU 651 1HB GLU 651 -5.826 22.164 13.741 1166 2HB GLU 651 2HB GLU 651 -6.314 21.199 12.366 1167 1HG GLU 651 1HG GLU 651 -7.909 19.980 13.928 1168 2HG GLU 651 2HG GLU 651 -7.447 21.159 15.146 1169 H PHE 652 H PHE 652 -7.167 18.856 13.078 1170 HA PHE 652 HA PHE 652 -5.742 17.198 11.163 1171 1HB PHE 652 1HB PHE 652 -6.043 15.917 13.303 1172 2HB PHE 652 2HB PHE 652 -7.782 16.142 13.139 1173 HD1 PHE 652 HD1 PHE 652 -4.815 14.661 11.518 1174 HD2 PHE 652 HD2 PHE 652 -9.060 14.679 11.799 1175 HE1 PHE 652 HE1 PHE 652 -4.904 12.647 10.130 1176 HE2 PHE 652 HE2 PHE 652 -9.163 12.656 10.406 1177 HZ PHE 652 HZ PHE 652 -7.079 11.634 9.566 1178 H LYS 653 H LYS 653 -6.834 17.120 9.294 1179 HA LYS 653 HA LYS 653 -9.585 18.178 9.291 1180 1HB LYS 653 1HB LYS 653 -7.582 18.240 7.019 1181 2HB LYS 653 2HB LYS 653 -9.190 18.934 7.005 1182 1HG LYS 653 1HG LYS 653 -6.883 19.853 8.720 1183 2HG LYS 653 2HG LYS 653 -7.465 20.642 7.257 1184 1HD LYS 653 1HD LYS 653 -9.642 21.029 8.375 1185 2HD LYS 653 2HD LYS 653 -8.991 20.293 9.841 1186 1HE LYS 653 1HE LYS 653 -7.231 22.022 9.902 1187 2HE LYS 653 2HE LYS 653 -7.936 22.768 8.472 1188 1HZ LYS 653 1HZ LYS 653 -9.217 22.486 11.139 1189 2HZ LYS 653 2HZ LYS 653 -9.986 23.116 9.772 1190 3HZ LYS 653 3HZ LYS 653 -8.671 23.916 10.435 1191 H SER 654 H SER 654 -11.118 17.032 8.150 1192 HA SER 654 HA SER 654 -10.228 14.447 7.149 1193 1HB SER 654 1HB SER 654 -12.956 15.255 8.192 1194 2HB SER 654 2HB SER 654 -12.502 13.639 7.637 1195 HG SER 654 HG SER 654 -10.721 13.964 9.270 1196 H THR 655 H THR 655 -9.883 14.739 5.073 1197 HA THR 655 HA THR 655 -11.282 16.584 3.444 1198 HB THR 655 HB THR 655 -9.402 14.352 2.652 1199 HG1 THR 655 HG1 THR 655 -8.043 15.549 3.750 1200 1HG2 THR 655 1HG2 THR 655 -10.160 16.932 1.255 1201 2HG2 THR 655 2HG2 THR 655 -10.672 15.315 0.767 1202 3HG2 THR 655 3HG2 THR 655 -8.968 15.766 0.677 1203 H VAL 656 H VAL 656 -13.287 16.257 2.808 1204 HA VAL 656 HA VAL 656 -14.161 13.548 2.191 1205 HB VAL 656 HB VAL 656 -16.466 14.452 2.165 1206 1HG1 VAL 656 1HG1 VAL 656 -16.688 14.951 4.558 1207 2HG1 VAL 656 2HG1 VAL 656 -14.942 15.176 4.662 1208 3HG1 VAL 656 3HG1 VAL 656 -15.604 13.592 4.257 1209 1HG2 VAL 656 1HG2 VAL 656 -16.012 16.722 1.421 1210 2HG2 VAL 656 2HG2 VAL 656 -15.187 17.076 2.941 1211 3HG2 VAL 656 3HG2 VAL 656 -16.919 16.748 2.934 1212 H ASP 657 H ASP 657 -15.329 13.198 0.200 1213 HA ASP 657 HA ASP 657 -15.019 15.161 -1.894 1214 1HB ASP 657 1HB ASP 657 -12.844 14.057 -1.984 1215 2HB ASP 657 2HB ASP 657 -13.623 12.478 -2.025 Start of MODEL 3 1 1H HIS 501 1H HIS 501 -5.972 -14.728 -10.342 2 HA HIS 501 HA HIS 501 -5.976 -12.295 -8.911 3 1HB HIS 501 1HB HIS 501 -8.380 -12.422 -9.570 4 2HB HIS 501 2HB HIS 501 -8.471 -14.036 -8.886 5 HD1 HIS 501 HD1 HIS 501 -9.047 -10.528 -8.013 6 HD2 HIS 501 HD2 HIS 501 -8.054 -14.015 -5.981 7 HE1 HIS 501 HE1 HIS 501 -9.571 -10.109 -5.607 8 H ALA 502 H ALA 502 -5.264 -12.753 -6.803 9 HA ALA 502 HA ALA 502 -5.315 -15.502 -5.869 10 1HB ALA 502 1HB ALA 502 -2.915 -15.532 -5.447 11 2HB ALA 502 2HB ALA 502 -2.764 -13.971 -6.242 12 3HB ALA 502 3HB ALA 502 -3.271 -15.391 -7.171 13 H GLY 503 H GLY 503 -6.189 -12.583 -5.175 14 1HA GLY 503 1HA GLY 503 -6.633 -12.683 -2.666 15 2HA GLY 503 2HA GLY 503 -4.904 -12.382 -2.582 16 H ILE 504 H ILE 504 -6.423 -10.646 -1.405 17 HA ILE 504 HA ILE 504 -6.397 -8.309 -3.189 18 HB ILE 504 HB ILE 504 -8.224 -8.695 -0.780 19 1HG1 ILE 504 1HG1 ILE 504 -10.072 -8.310 -2.573 20 2HG1 ILE 504 2HG1 ILE 504 -8.835 -8.779 -3.729 21 1HG2 ILE 504 1HG2 ILE 504 -7.941 -6.347 -2.611 22 2HG2 ILE 504 2HG2 ILE 504 -7.577 -6.426 -0.888 23 3HG2 ILE 504 3HG2 ILE 504 -9.247 -6.549 -1.444 24 1HD1 ILE 504 1HD1 ILE 504 -9.881 -10.455 -1.460 25 2HD1 ILE 504 2HD1 ILE 504 -8.613 -10.934 -2.587 26 3HD1 ILE 504 3HD1 ILE 504 -10.254 -10.652 -3.174 27 H PHE 505 H PHE 505 -4.667 -7.153 -2.644 28 HA PHE 505 HA PHE 505 -4.287 -6.618 0.201 29 1HB PHE 505 1HB PHE 505 -2.095 -7.070 -1.857 30 2HB PHE 505 2HB PHE 505 -1.811 -6.401 -0.254 31 HD1 PHE 505 HD1 PHE 505 -2.040 -7.802 1.731 32 HD2 PHE 505 HD2 PHE 505 -2.543 -9.416 -2.172 33 HE1 PHE 505 HE1 PHE 505 -1.826 -10.074 2.645 34 HE2 PHE 505 HE2 PHE 505 -2.328 -11.689 -1.264 35 HZ PHE 505 HZ PHE 505 -1.970 -12.021 1.148 36 H THR 506 H THR 506 -5.152 -4.678 0.334 37 HA THR 506 HA THR 506 -4.272 -2.654 -1.573 38 HB THR 506 HB THR 506 -6.486 -3.551 -2.323 39 HG1 THR 506 HG1 THR 506 -6.823 -0.922 -1.303 40 1HG2 THR 506 1HG2 THR 506 -7.418 -4.165 -0.117 41 2HG2 THR 506 2HG2 THR 506 -8.508 -3.108 -1.009 42 3HG2 THR 506 3HG2 THR 506 -7.534 -2.454 0.299 43 H PHE 507 H PHE 507 -4.519 -0.488 -0.740 44 HA PHE 507 HA PHE 507 -4.293 -0.346 2.156 45 1HB PHE 507 1HB PHE 507 -4.106 1.753 -0.004 46 2HB PHE 507 2HB PHE 507 -3.967 2.086 1.710 47 HD1 PHE 507 HD1 PHE 507 -2.130 0.724 2.941 48 HD2 PHE 507 HD2 PHE 507 -2.233 1.427 -1.228 49 HE1 PHE 507 HE1 PHE 507 0.284 0.407 2.843 50 HE2 PHE 507 HE2 PHE 507 0.201 1.088 -1.354 51 HZ PHE 507 HZ PHE 507 1.463 0.576 0.705 52 H GLU 508 H GLU 508 -5.653 0.835 3.407 53 HA GLU 508 HA GLU 508 -8.348 1.141 2.473 54 1HB GLU 508 1HB GLU 508 -7.456 0.481 4.824 55 2HB GLU 508 2HB GLU 508 -7.228 2.211 5.039 56 1HG GLU 508 1HG GLU 508 -9.604 2.542 4.532 57 2HG GLU 508 2HG GLU 508 -9.749 0.778 4.425 58 H GLU 509 H GLU 509 -5.517 3.011 2.885 59 HA GLU 509 HA GLU 509 -6.901 5.558 2.393 60 1HB GLU 509 1HB GLU 509 -4.767 4.752 4.151 61 2HB GLU 509 2HB GLU 509 -4.206 5.957 3.005 62 1HG GLU 509 1HG GLU 509 -4.931 6.979 5.043 63 2HG GLU 509 2HG GLU 509 -5.946 7.460 3.687 64 HA PRO 510 HA PRO 510 -4.342 5.347 -1.362 65 1HB PRO 510 1HB PRO 510 -5.727 7.176 -2.813 66 2HB PRO 510 2HB PRO 510 -6.243 5.497 -2.691 67 1HG PRO 510 1HG PRO 510 -7.369 7.912 -1.385 68 2HG PRO 510 2HG PRO 510 -8.171 6.404 -1.841 69 1HD PRO 510 1HD PRO 510 -7.294 7.145 0.738 70 2HD PRO 510 2HD PRO 510 -7.857 5.537 0.237 71 H VAL 511 H VAL 511 -5.335 7.831 0.720 72 HA VAL 511 HA VAL 511 -2.906 9.377 0.448 73 HB VAL 511 HB VAL 511 -5.695 10.609 0.176 74 1HG1 VAL 511 1HG1 VAL 511 -4.535 12.766 0.149 75 2HG1 VAL 511 2HG1 VAL 511 -3.047 11.931 0.606 76 3HG1 VAL 511 3HG1 VAL 511 -4.427 11.933 1.700 77 1HG2 VAL 511 1HG2 VAL 511 -4.982 11.493 -1.895 78 2HG2 VAL 511 2HG2 VAL 511 -4.578 9.761 -1.923 79 3HG2 VAL 511 3HG2 VAL 511 -3.331 10.980 -1.611 80 H THR 512 H THR 512 -2.287 9.893 2.483 81 HA THR 512 HA THR 512 -4.336 9.958 4.537 82 HB THR 512 HB THR 512 -3.111 7.738 4.674 83 HG1 THR 512 HG1 THR 512 -3.193 7.838 6.808 84 1HG2 THR 512 1HG2 THR 512 -0.726 9.470 5.316 85 2HG2 THR 512 2HG2 THR 512 -0.922 8.479 3.872 86 3HG2 THR 512 3HG2 THR 512 -0.784 7.712 5.459 87 H HIS 513 H HIS 513 -3.944 11.505 6.103 88 HA HIS 513 HA HIS 513 -1.739 13.323 5.476 89 1HB HIS 513 1HB HIS 513 -4.451 13.889 6.710 90 2HB HIS 513 2HB HIS 513 -3.129 15.046 6.716 91 HD1 HIS 513 HD1 HIS 513 -3.360 16.727 4.902 92 HD2 HIS 513 HD2 HIS 513 -5.030 13.061 3.859 93 HE1 HIS 513 HE1 HIS 513 -4.287 16.998 2.558 94 H VAL 514 H VAL 514 -0.318 13.702 7.042 95 HA VAL 514 HA VAL 514 -0.934 12.669 9.723 96 HB VAL 514 HB VAL 514 1.238 11.657 9.953 97 1HG1 VAL 514 1HG1 VAL 514 -0.480 10.191 9.103 98 2HG1 VAL 514 2HG1 VAL 514 1.077 9.761 8.389 99 3HG1 VAL 514 3HG1 VAL 514 -0.105 10.662 7.447 100 1HG2 VAL 514 1HG2 VAL 514 1.760 12.449 7.087 101 2HG2 VAL 514 2HG2 VAL 514 2.813 11.434 8.072 102 3HG2 VAL 514 3HG2 VAL 514 2.542 13.118 8.518 103 H SER 515 H SER 515 0.218 13.493 11.360 104 HA SER 515 HA SER 515 0.672 16.250 11.096 105 1HB SER 515 1HB SER 515 0.996 14.244 13.307 106 2HB SER 515 2HB SER 515 1.093 15.990 13.497 107 HG SER 515 HG SER 515 -1.017 16.107 12.673 108 H GLU 516 H GLU 516 2.686 17.285 11.324 109 HA GLU 516 HA GLU 516 5.034 15.865 10.609 110 1HB GLU 516 1HB GLU 516 4.726 18.285 10.133 111 2HB GLU 516 2HB GLU 516 4.786 18.615 11.853 112 1HG GLU 516 1HG GLU 516 7.076 17.694 11.934 113 2HG GLU 516 2HG GLU 516 7.014 17.472 10.193 114 H SER 517 H SER 517 3.528 16.622 13.601 115 HA SER 517 HA SER 517 5.872 15.703 15.037 116 1HB SER 517 1HB SER 517 3.625 17.466 16.042 117 2HB SER 517 2HB SER 517 5.031 16.951 16.981 118 HG SER 517 HG SER 517 6.202 17.894 15.051 119 H ILE 518 H ILE 518 5.169 13.700 14.343 120 HA ILE 518 HA ILE 518 3.550 12.354 16.347 121 HB ILE 518 HB ILE 518 2.224 12.775 14.270 122 1HG1 ILE 518 1HG1 ILE 518 2.942 9.895 14.771 123 2HG1 ILE 518 2HG1 ILE 518 1.752 10.842 15.671 124 1HG2 ILE 518 1HG2 ILE 518 3.991 12.778 12.637 125 2HG2 ILE 518 2HG2 ILE 518 2.804 11.544 12.223 126 3HG2 ILE 518 3HG2 ILE 518 4.342 11.078 12.956 127 1HD1 ILE 518 1HD1 ILE 518 1.717 10.150 12.801 128 2HD1 ILE 518 2HD1 ILE 518 0.596 11.234 13.615 129 3HD1 ILE 518 3HD1 ILE 518 0.642 9.487 14.066 130 H GLY 519 H GLY 519 4.326 10.047 16.407 131 1HA GLY 519 1HA GLY 519 7.126 9.886 15.630 132 2HA GLY 519 2HA GLY 519 6.281 8.773 16.697 133 H ILE 520 H ILE 520 4.604 7.442 15.677 134 HA ILE 520 HA ILE 520 5.566 6.489 13.066 135 HB ILE 520 HB ILE 520 4.158 5.041 15.320 136 1HG1 ILE 520 1HG1 ILE 520 6.575 5.346 15.636 137 2HG1 ILE 520 2HG1 ILE 520 6.158 3.646 15.435 138 1HG2 ILE 520 1HG2 ILE 520 3.221 4.232 13.253 139 2HG2 ILE 520 2HG2 ILE 520 4.245 2.996 13.982 140 3HG2 ILE 520 3HG2 ILE 520 4.833 3.931 12.608 141 1HD1 ILE 520 1HD1 ILE 520 6.912 3.785 13.097 142 2HD1 ILE 520 2HD1 ILE 520 8.186 4.175 14.253 143 3HD1 ILE 520 3HD1 ILE 520 7.374 5.466 13.371 144 H MET 521 H MET 521 4.238 6.761 11.413 145 HA MET 521 HA MET 521 1.401 7.029 12.045 146 1HB MET 521 1HB MET 521 1.053 8.129 9.927 147 2HB MET 521 2HB MET 521 2.420 8.907 10.688 148 1HG MET 521 1HG MET 521 3.048 8.778 8.459 149 2HG MET 521 2HG MET 521 3.833 7.370 9.162 150 1HE MET 521 1HE MET 521 2.710 6.362 5.451 151 2HE MET 521 2HE MET 521 4.101 6.674 6.480 152 3HE MET 521 3HE MET 521 3.089 7.996 5.947 153 H GLU 522 H GLU 522 -0.072 5.670 11.158 154 HA GLU 522 HA GLU 522 1.090 3.220 10.081 155 1HB GLU 522 1HB GLU 522 -1.261 3.618 11.899 156 2HB GLU 522 2HB GLU 522 -0.904 2.102 11.099 157 1HG GLU 522 1HG GLU 522 1.245 2.023 12.234 158 2HG GLU 522 2HG GLU 522 0.860 3.534 13.072 159 H VAL 523 H VAL 523 -0.186 2.008 8.688 160 HA VAL 523 HA VAL 523 -2.317 3.446 7.253 161 HB VAL 523 HB VAL 523 -0.224 1.795 5.871 162 1HG1 VAL 523 1HG1 VAL 523 -2.162 3.849 4.840 163 2HG1 VAL 523 2HG1 VAL 523 -2.320 2.100 4.715 164 3HG1 VAL 523 3HG1 VAL 523 -1.015 2.927 3.865 165 1HG2 VAL 523 1HG2 VAL 523 0.921 3.841 5.178 166 2HG2 VAL 523 2HG2 VAL 523 0.945 3.666 6.933 167 3HG2 VAL 523 3HG2 VAL 523 -0.177 4.795 6.172 168 H LYS 524 H LYS 524 -4.021 2.141 7.031 169 HA LYS 524 HA LYS 524 -3.868 -0.592 7.885 170 1HB LYS 524 1HB LYS 524 -6.122 1.149 6.979 171 2HB LYS 524 2HB LYS 524 -6.337 -0.552 7.330 172 1HG LYS 524 1HG LYS 524 -5.155 1.347 9.290 173 2HG LYS 524 2HG LYS 524 -6.908 1.068 9.207 174 1HD LYS 524 1HD LYS 524 -6.403 -1.354 9.498 175 2HD LYS 524 2HD LYS 524 -4.715 -0.940 9.796 176 1HE LYS 524 1HE LYS 524 -5.911 -1.336 11.856 177 2HE LYS 524 2HE LYS 524 -5.417 0.358 11.778 178 1HZ LYS 524 1HZ LYS 524 -7.691 0.933 11.133 179 2HZ LYS 524 2HZ LYS 524 -7.716 0.043 12.573 180 3HZ LYS 524 3HZ LYS 524 -8.120 -0.695 11.128 181 H VAL 525 H VAL 525 -3.616 -2.209 6.735 182 HA VAL 525 HA VAL 525 -4.056 -2.135 3.812 183 HB VAL 525 HB VAL 525 -2.492 -4.213 5.338 184 1HG1 VAL 525 1HG1 VAL 525 -3.221 -4.911 3.134 185 2HG1 VAL 525 2HG1 VAL 525 -1.469 -4.696 3.149 186 3HG1 VAL 525 3HG1 VAL 525 -2.501 -3.467 2.419 187 1HG2 VAL 525 1HG2 VAL 525 -0.434 -3.095 4.658 188 2HG2 VAL 525 2HG2 VAL 525 -1.415 -2.109 5.741 189 3HG2 VAL 525 3HG2 VAL 525 -1.384 -1.751 4.011 190 H LEU 526 H LEU 526 -5.751 -3.256 3.149 191 HA LEU 526 HA LEU 526 -7.277 -4.799 5.044 192 1HB LEU 526 1HB LEU 526 -7.788 -4.211 2.116 193 2HB LEU 526 2HB LEU 526 -8.883 -5.105 3.139 194 HG LEU 526 HG LEU 526 -9.761 -2.894 2.905 195 1HD1 LEU 526 1HD1 LEU 526 -8.478 -3.097 5.602 196 2HD1 LEU 526 2HD1 LEU 526 -10.029 -3.785 5.113 197 3HD1 LEU 526 3HD1 LEU 526 -9.811 -2.036 5.161 198 1HD2 LEU 526 1HD2 LEU 526 -8.545 -0.895 3.496 199 2HD2 LEU 526 2HD2 LEU 526 -7.768 -1.754 2.169 200 3HD2 LEU 526 3HD2 LEU 526 -7.098 -1.852 3.797 201 H ARG 527 H ARG 527 -7.779 -6.991 4.844 202 HA ARG 527 HA ARG 527 -5.505 -8.447 3.773 203 1HB ARG 527 1HB ARG 527 -6.340 -8.882 6.113 204 2HB ARG 527 2HB ARG 527 -7.798 -9.563 5.402 205 1HG ARG 527 1HG ARG 527 -6.221 -11.118 4.106 206 2HG ARG 527 2HG ARG 527 -4.986 -10.612 5.252 207 1HD ARG 527 1HD ARG 527 -5.968 -12.682 5.966 208 2HD ARG 527 2HD ARG 527 -6.445 -11.421 7.092 209 HE ARG 527 HE ARG 527 -8.422 -11.588 5.153 210 1HH1 ARG 527 1HH1 ARG 527 -7.053 -13.705 7.633 211 2HH1 ARG 527 2HH1 ARG 527 -8.498 -14.541 7.936 212 1HH2 ARG 527 1HH2 ARG 527 -10.378 -12.691 5.524 213 2HH2 ARG 527 2HH2 ARG 527 -10.484 -13.963 6.648 214 H THR 528 H THR 528 -5.671 -10.131 2.397 215 HA THR 528 HA THR 528 -7.526 -10.213 0.381 216 HB THR 528 HB THR 528 -5.345 -11.120 0.077 217 HG1 THR 528 HG1 THR 528 -5.960 -13.423 -0.399 218 1HG2 THR 528 1HG2 THR 528 -5.990 -13.127 2.238 219 2HG2 THR 528 2HG2 THR 528 -4.833 -11.804 2.368 220 3HG2 THR 528 3HG2 THR 528 -4.528 -13.132 1.255 221 H SER 529 H SER 529 -9.344 -11.396 0.044 222 HA SER 529 HA SER 529 -10.770 -12.316 2.334 223 1HB SER 529 1HB SER 529 -11.842 -11.158 0.373 224 2HB SER 529 2HB SER 529 -11.494 -12.584 -0.600 225 HG SER 529 HG SER 529 -13.171 -12.362 1.656 226 H GLY 530 H GLY 530 -9.184 -13.800 -0.475 227 1HA GLY 530 1HA GLY 530 -9.729 -16.454 0.551 228 2HA GLY 530 2HA GLY 530 -8.921 -16.058 -0.966 229 H ALA 531 H ALA 531 -8.437 -15.352 2.449 230 HA ALA 531 HA ALA 531 -5.604 -15.259 2.247 231 1HB ALA 531 1HB ALA 531 -5.609 -14.985 4.645 232 2HB ALA 531 2HB ALA 531 -7.285 -15.524 4.733 233 3HB ALA 531 3HB ALA 531 -6.892 -13.996 3.947 234 H ARG 532 H ARG 532 -4.697 -17.078 1.564 235 HA ARG 532 HA ARG 532 -4.990 -19.437 3.268 236 1HB ARG 532 1HB ARG 532 -4.545 -19.388 0.281 237 2HB ARG 532 2HB ARG 532 -4.621 -20.824 1.293 238 1HG ARG 532 1HG ARG 532 -6.878 -18.894 0.795 239 2HG ARG 532 2HG ARG 532 -6.690 -20.492 0.066 240 1HD ARG 532 1HD ARG 532 -6.820 -21.518 2.247 241 2HD ARG 532 2HD ARG 532 -6.934 -19.940 3.010 242 HE ARG 532 HE ARG 532 -8.982 -19.907 1.277 243 1HH1 ARG 532 1HH1 ARG 532 -8.046 -22.269 3.769 244 2HH1 ARG 532 2HH1 ARG 532 -9.650 -22.674 4.135 245 1HH2 ARG 532 1HH2 ARG 532 -11.155 -20.488 1.822 246 2HH2 ARG 532 2HH2 ARG 532 -11.438 -21.651 3.036 247 H GLY 533 H GLY 533 -3.199 -19.176 4.457 248 1HA GLY 533 1HA GLY 533 -0.985 -19.955 4.625 249 2HA GLY 533 2HA GLY 533 -0.706 -19.406 2.982 250 H ASN 534 H ASN 534 0.977 -18.892 4.980 251 HA ASN 534 HA ASN 534 0.641 -16.204 5.942 252 1HB ASN 534 1HB ASN 534 1.923 -17.861 7.235 253 2HB ASN 534 2HB ASN 534 3.021 -18.089 5.883 254 1HD2 ASN 534 1HD2 ASN 534 1.882 -14.890 6.985 255 2HD2 ASN 534 2HD2 ASN 534 3.425 -14.438 7.591 256 H VAL 535 H VAL 535 1.086 -14.445 4.793 257 HA VAL 535 HA VAL 535 2.664 -14.744 2.343 258 HB VAL 535 HB VAL 535 0.121 -13.103 2.681 259 1HG1 VAL 535 1HG1 VAL 535 1.721 -11.979 1.191 260 2HG1 VAL 535 2HG1 VAL 535 0.343 -12.613 0.279 261 3HG1 VAL 535 3HG1 VAL 535 1.881 -13.473 0.266 262 1HG2 VAL 535 1HG2 VAL 535 0.747 -15.529 1.073 263 2HG2 VAL 535 2HG2 VAL 535 -0.754 -14.608 0.928 264 3HG2 VAL 535 3HG2 VAL 535 -0.366 -15.457 2.442 265 H ILE 536 H ILE 536 4.051 -13.167 1.920 266 HA ILE 536 HA ILE 536 4.411 -11.080 3.940 267 HB ILE 536 HB ILE 536 6.295 -12.350 1.948 268 1HG1 ILE 536 1HG1 ILE 536 5.901 -13.621 4.002 269 2HG1 ILE 536 2HG1 ILE 536 7.573 -13.068 3.884 270 1HG2 ILE 536 1HG2 ILE 536 6.805 -10.031 1.972 271 2HG2 ILE 536 2HG2 ILE 536 8.049 -10.887 2.904 272 3HG2 ILE 536 3HG2 ILE 536 6.741 -10.019 3.729 273 1HD1 ILE 536 1HD1 ILE 536 7.029 -11.253 5.436 274 2HD1 ILE 536 2HD1 ILE 536 6.747 -12.848 6.145 275 3HD1 ILE 536 3HD1 ILE 536 5.388 -11.877 5.567 276 H VAL 537 H VAL 537 4.381 -8.981 3.313 277 HA VAL 537 HA VAL 537 3.938 -8.487 0.459 278 HB VAL 537 HB VAL 537 2.866 -6.765 2.715 279 1HG1 VAL 537 1HG1 VAL 537 2.341 -6.643 -0.248 280 2HG1 VAL 537 2HG1 VAL 537 3.285 -5.491 0.691 281 3HG1 VAL 537 3HG1 VAL 537 1.552 -5.647 0.974 282 1HG2 VAL 537 1HG2 VAL 537 0.642 -7.623 2.129 283 2HG2 VAL 537 2HG2 VAL 537 1.713 -8.913 2.677 284 3HG2 VAL 537 3HG2 VAL 537 1.377 -8.719 0.959 285 HA PRO 538 HA PRO 538 7.761 -6.160 1.249 286 1HB PRO 538 1HB PRO 538 8.432 -5.843 -1.366 287 2HB PRO 538 2HB PRO 538 8.745 -7.340 -0.484 288 1HG PRO 538 1HG PRO 538 6.570 -6.696 -2.421 289 2HG PRO 538 2HG PRO 538 7.477 -8.202 -2.212 290 1HD PRO 538 1HD PRO 538 4.946 -7.779 -1.246 291 2HD PRO 538 2HD PRO 538 6.091 -8.939 -0.545 292 H TYR 539 H TYR 539 8.033 -3.947 1.358 293 HA TYR 539 HA TYR 539 6.465 -2.252 -0.411 294 1HB TYR 539 1HB TYR 539 5.375 -1.018 1.357 295 2HB TYR 539 2HB TYR 539 5.034 -2.728 1.577 296 HD1 TYR 539 HD1 TYR 539 5.965 -3.956 3.471 297 HD2 TYR 539 HD2 TYR 539 6.727 0.189 2.956 298 HE1 TYR 539 HE1 TYR 539 6.729 -3.806 5.801 299 HE2 TYR 539 HE2 TYR 539 7.501 0.344 5.272 300 HH TYR 539 HH TYR 539 8.228 -2.315 7.173 301 H LYS 540 H LYS 540 7.081 0.016 -0.244 302 HA LYS 540 HA LYS 540 9.380 0.693 1.292 303 1HB LYS 540 1HB LYS 540 10.732 1.429 -0.737 304 2HB LYS 540 2HB LYS 540 10.661 -0.294 -0.439 305 1HG LYS 540 1HG LYS 540 10.489 0.012 -2.792 306 2HG LYS 540 2HG LYS 540 8.884 -0.429 -2.227 307 1HD LYS 540 1HD LYS 540 8.233 1.945 -2.299 308 2HD LYS 540 2HD LYS 540 9.836 2.362 -2.892 309 1HE LYS 540 1HE LYS 540 7.832 0.578 -4.280 310 2HE LYS 540 2HE LYS 540 8.198 2.247 -4.697 311 1HZ LYS 540 1HZ LYS 540 10.155 -0.005 -4.854 312 2HZ LYS 540 2HZ LYS 540 10.434 1.603 -5.279 313 3HZ LYS 540 3HZ LYS 540 9.344 0.695 -6.155 314 H THR 541 H THR 541 9.691 2.888 1.552 315 HA THR 541 HA THR 541 7.549 4.618 0.741 316 HB THR 541 HB THR 541 9.034 6.320 1.896 317 HG1 THR 541 HG1 THR 541 10.929 4.934 1.580 318 1HG2 THR 541 1HG2 THR 541 8.224 3.886 3.496 319 2HG2 THR 541 2HG2 THR 541 7.192 5.268 3.108 320 3HG2 THR 541 3HG2 THR 541 8.587 5.474 4.168 321 H ILE 542 H ILE 542 7.616 5.954 -0.988 322 HA ILE 542 HA ILE 542 10.102 6.249 -2.513 323 HB ILE 542 HB ILE 542 7.291 7.255 -3.102 324 1HG1 ILE 542 1HG1 ILE 542 7.481 5.674 -5.135 325 2HG1 ILE 542 2HG1 ILE 542 8.815 4.925 -4.274 326 1HG2 ILE 542 1HG2 ILE 542 9.736 7.478 -4.835 327 2HG2 ILE 542 2HG2 ILE 542 8.870 8.783 -4.019 328 3HG2 ILE 542 3HG2 ILE 542 8.089 7.890 -5.323 329 1HD1 ILE 542 1HD1 ILE 542 7.306 4.362 -2.443 330 2HD1 ILE 542 2HD1 ILE 542 6.734 3.703 -3.980 331 3HD1 ILE 542 3HD1 ILE 542 5.982 5.147 -3.303 332 H GLU 543 H GLU 543 11.339 7.991 -2.153 333 HA GLU 543 HA GLU 543 10.839 9.847 -0.152 334 1HB GLU 543 1HB GLU 543 12.644 10.327 -2.529 335 2HB GLU 543 2HB GLU 543 12.749 11.088 -0.953 336 1HG GLU 543 1HG GLU 543 14.420 9.558 -0.755 337 2HG GLU 543 2HG GLU 543 13.059 8.595 -0.169 338 H GLY 544 H GLY 544 10.647 10.301 -3.648 339 1HA GLY 544 1HA GLY 544 9.301 11.640 -4.920 340 2HA GLY 544 2HA GLY 544 8.361 11.970 -3.470 341 H THR 545 H THR 545 9.096 13.586 -2.058 342 HA THR 545 HA THR 545 11.033 15.449 -3.187 343 HB THR 545 HB THR 545 8.772 16.288 -3.765 344 HG1 THR 545 HG1 THR 545 10.620 17.580 -2.355 345 1HG2 THR 545 1HG2 THR 545 8.323 16.398 -0.781 346 2HG2 THR 545 2HG2 THR 545 7.525 15.291 -1.893 347 3HG2 THR 545 3HG2 THR 545 7.225 17.028 -2.008 348 H ALA 546 H ALA 546 10.440 13.461 -0.777 349 HA ALA 546 HA ALA 546 11.467 15.224 1.314 350 1HB ALA 546 1HB ALA 546 10.704 13.514 2.897 351 2HB ALA 546 2HB ALA 546 10.161 12.510 1.553 352 3HB ALA 546 3HB ALA 546 9.378 14.058 1.867 353 H ARG 547 H ARG 547 12.859 13.663 2.935 354 HA ARG 547 HA ARG 547 14.870 12.347 1.262 355 1HB ARG 547 1HB ARG 547 15.287 14.782 1.996 356 2HB ARG 547 2HB ARG 547 15.412 14.157 3.623 357 1HG ARG 547 1HG ARG 547 17.207 13.413 1.317 358 2HG ARG 547 2HG ARG 547 17.580 14.601 2.561 359 1HD ARG 547 1HD ARG 547 17.306 12.750 4.220 360 2HD ARG 547 2HD ARG 547 17.225 11.641 2.860 361 HE ARG 547 HE ARG 547 19.488 13.138 2.483 362 1HH1 ARG 547 1HH1 ARG 547 18.341 10.876 4.977 363 2HH1 ARG 547 2HH1 ARG 547 19.927 10.453 5.462 364 1HH2 ARG 547 1HH2 ARG 547 21.606 12.502 3.171 365 2HH2 ARG 547 2HH2 ARG 547 21.785 11.360 4.418 366 H GLY 548 H GLY 548 15.253 10.322 2.047 367 1HA GLY 548 1HA GLY 548 13.952 9.478 4.494 368 2HA GLY 548 2HA GLY 548 14.772 8.440 3.341 369 H GLY 549 H GLY 549 15.891 7.310 4.964 370 1HA GLY 549 1HA GLY 549 17.691 6.868 6.269 371 2HA GLY 549 2HA GLY 549 18.390 8.371 5.693 372 H GLY 550 H GLY 550 15.313 8.594 7.281 373 1HA GLY 550 1HA GLY 550 14.728 9.275 9.380 374 2HA GLY 550 2HA GLY 550 16.379 8.957 9.897 375 H GLU 551 H GLU 551 15.582 11.000 7.215 376 HA GLU 551 HA GLU 551 16.785 13.256 8.657 377 1HB GLU 551 1HB GLU 551 17.712 12.518 6.433 378 2HB GLU 551 2HB GLU 551 16.171 13.018 5.742 379 1HG GLU 551 1HG GLU 551 17.831 14.717 5.376 380 2HG GLU 551 2HG GLU 551 16.580 15.310 6.467 381 H ASP 552 H ASP 552 14.267 12.929 6.128 382 HA ASP 552 HA ASP 552 12.714 15.010 7.528 383 1HB ASP 552 1HB ASP 552 13.280 14.971 4.938 384 2HB ASP 552 2HB ASP 552 11.957 13.818 4.867 385 H PHE 553 H PHE 553 12.769 11.751 6.352 386 HA PHE 553 HA PHE 553 10.798 11.004 8.276 387 1HB PHE 553 1HB PHE 553 9.391 9.803 6.773 388 2HB PHE 553 2HB PHE 553 9.529 11.439 6.162 389 HD1 PHE 553 HD1 PHE 553 11.218 11.810 4.245 390 HD2 PHE 553 HD2 PHE 553 9.790 8.016 5.436 391 HE1 PHE 553 HE1 PHE 553 11.804 10.905 2.022 392 HE2 PHE 553 HE2 PHE 553 10.376 7.089 3.229 393 HZ PHE 553 HZ PHE 553 11.381 8.532 1.521 394 H GLU 554 H GLU 554 10.781 8.633 8.436 395 HA GLU 554 HA GLU 554 13.442 7.550 8.024 396 1HB GLU 554 1HB GLU 554 12.158 7.601 10.215 397 2HB GLU 554 2HB GLU 554 11.040 6.467 9.523 398 1HG GLU 554 1HG GLU 554 13.977 5.995 9.967 399 2HG GLU 554 2HG GLU 554 12.685 5.512 11.054 400 H ASP 555 H ASP 555 13.682 6.467 6.106 401 HA ASP 555 HA ASP 555 11.334 5.795 4.615 402 1HB ASP 555 1HB ASP 555 12.790 5.238 2.736 403 2HB ASP 555 2HB ASP 555 13.272 6.783 3.412 404 H THR 556 H THR 556 10.281 4.187 5.235 405 HA THR 556 HA THR 556 11.724 1.882 6.111 406 HB THR 556 HB THR 556 9.987 2.616 7.612 407 HG1 THR 556 HG1 THR 556 8.595 0.486 7.268 408 1HG2 THR 556 1HG2 THR 556 7.586 2.363 6.951 409 2HG2 THR 556 2HG2 THR 556 8.143 2.230 5.262 410 3HG2 THR 556 3HG2 THR 556 8.453 3.690 6.188 411 H CYS 557 H CYS 557 12.117 0.294 4.969 412 HA CYS 557 HA CYS 557 10.369 -0.495 2.811 413 1HB CYS 557 1HB CYS 557 12.454 -0.971 1.465 414 2HB CYS 557 2HB CYS 557 12.126 0.738 1.710 415 HG CYS 557 HG CYS 557 14.178 -0.788 3.895 416 H GLY 558 H GLY 558 9.853 -2.554 3.167 417 1HA GLY 558 1HA GLY 558 11.666 -4.449 4.130 418 2HA GLY 558 2HA GLY 558 10.622 -3.888 5.437 419 H GLU 559 H GLU 559 9.620 -5.868 5.610 420 HA GLU 559 HA GLU 559 7.753 -6.465 3.457 421 1HB GLU 559 1HB GLU 559 9.740 -8.272 4.768 422 2HB GLU 559 2HB GLU 559 8.289 -8.936 4.026 423 1HG GLU 559 1HG GLU 559 8.957 -8.040 1.873 424 2HG GLU 559 2HG GLU 559 10.330 -7.223 2.610 425 H LEU 560 H LEU 560 5.748 -6.685 4.173 426 HA LEU 560 HA LEU 560 5.163 -6.759 7.024 427 1HB LEU 560 1HB LEU 560 3.378 -6.617 4.607 428 2HB LEU 560 2HB LEU 560 2.809 -6.587 6.255 429 HG LEU 560 HG LEU 560 4.571 -4.477 5.004 430 1HD1 LEU 560 1HD1 LEU 560 2.331 -4.549 4.012 431 2HD1 LEU 560 2HD1 LEU 560 2.604 -3.102 4.979 432 3HD1 LEU 560 3HD1 LEU 560 1.625 -4.415 5.631 433 1HD2 LEU 560 1HD2 LEU 560 3.130 -4.583 7.656 434 2HD2 LEU 560 2HD2 LEU 560 3.958 -3.176 6.997 435 3HD2 LEU 560 3HD2 LEU 560 4.876 -4.624 7.400 436 H GLU 561 H GLU 561 3.698 -8.394 7.908 437 HA GLU 561 HA GLU 561 3.762 -10.884 6.371 438 1HB GLU 561 1HB GLU 561 5.393 -10.683 8.275 439 2HB GLU 561 2HB GLU 561 4.015 -10.614 9.357 440 1HG GLU 561 1HG GLU 561 3.354 -12.828 8.732 441 2HG GLU 561 2HG GLU 561 4.604 -12.872 7.485 442 H PHE 562 H PHE 562 1.812 -11.581 5.878 443 HA PHE 562 HA PHE 562 -0.492 -11.062 7.650 444 1HB PHE 562 1HB PHE 562 -0.236 -11.352 4.683 445 2HB PHE 562 2HB PHE 562 -1.728 -11.825 5.470 446 HD1 PHE 562 HD1 PHE 562 -3.125 -10.198 6.533 447 HD2 PHE 562 HD2 PHE 562 0.374 -9.064 4.425 448 HE1 PHE 562 HE1 PHE 562 -3.979 -7.899 6.384 449 HE2 PHE 562 HE2 PHE 562 -0.459 -6.752 4.274 450 HZ PHE 562 HZ PHE 562 -2.650 -6.177 5.254 451 H GLN 563 H GLN 563 -1.847 -12.864 8.117 452 HA GLN 563 HA GLN 563 -0.828 -15.431 7.123 453 1HB GLN 563 1HB GLN 563 -1.881 -14.920 9.906 454 2HB GLN 563 2HB GLN 563 -1.274 -16.445 9.285 455 1HG GLN 563 1HG GLN 563 0.935 -15.373 8.967 456 2HG GLN 563 2HG GLN 563 0.291 -13.930 9.741 457 1HE2 GLN 563 1HE2 GLN 563 1.352 -17.185 10.187 458 2HE2 GLN 563 2HE2 GLN 563 1.407 -17.108 11.912 459 H ASN 564 H ASN 564 -2.531 -17.179 7.354 460 HA ASN 564 HA ASN 564 -4.916 -16.291 6.146 461 1HB ASN 564 1HB ASN 564 -5.720 -18.636 6.390 462 2HB ASN 564 2HB ASN 564 -4.159 -18.506 5.610 463 1HD2 ASN 564 1HD2 ASN 564 -3.714 -20.708 6.087 464 2HD2 ASN 564 2HD2 ASN 564 -3.283 -21.200 7.667 465 H ASP 565 H ASP 565 -3.998 -16.720 9.349 466 HA ASP 565 HA ASP 565 -6.768 -16.589 10.319 467 1HB ASP 565 1HB ASP 565 -5.228 -18.337 11.183 468 2HB ASP 565 2HB ASP 565 -4.214 -17.068 11.860 469 H GLU 566 H GLU 566 -4.366 -14.464 9.518 470 HA GLU 566 HA GLU 566 -5.029 -12.653 11.724 471 1HB GLU 566 1HB GLU 566 -2.679 -13.398 11.720 472 2HB GLU 566 2HB GLU 566 -2.495 -12.759 10.098 473 1HG GLU 566 1HG GLU 566 -2.846 -10.527 10.855 474 2HG GLU 566 2HG GLU 566 -3.262 -11.107 12.464 475 H ILE 567 H ILE 567 -5.787 -10.646 11.196 476 HA ILE 567 HA ILE 567 -5.956 -10.074 8.332 477 HB ILE 567 HB ILE 567 -7.980 -8.848 8.691 478 1HG1 ILE 567 1HG1 ILE 567 -8.119 -9.636 11.577 479 2HG1 ILE 567 2HG1 ILE 567 -7.208 -8.199 11.110 480 1HG2 ILE 567 1HG2 ILE 567 -8.109 -11.525 10.065 481 2HG2 ILE 567 2HG2 ILE 567 -8.304 -11.217 8.338 482 3HG2 ILE 567 3HG2 ILE 567 -9.501 -10.617 9.490 483 1HD1 ILE 567 1HD1 ILE 567 -9.478 -7.634 11.749 484 2HD1 ILE 567 2HD1 ILE 567 -10.095 -8.719 10.484 485 3HD1 ILE 567 3HD1 ILE 567 -9.127 -7.300 10.050 486 H VAL 568 H VAL 568 -6.202 -7.849 7.877 487 HA VAL 568 HA VAL 568 -5.199 -5.917 7.524 488 HB VAL 568 HB VAL 568 -6.946 -5.616 9.416 489 1HG1 VAL 568 1HG1 VAL 568 -4.485 -4.917 10.954 490 2HG1 VAL 568 2HG1 VAL 568 -5.703 -6.131 11.358 491 3HG1 VAL 568 3HG1 VAL 568 -6.108 -4.403 11.396 492 1HG2 VAL 568 1HG2 VAL 568 -6.637 -3.229 9.407 493 2HG2 VAL 568 2HG2 VAL 568 -6.379 -3.911 7.798 494 3HG2 VAL 568 3HG2 VAL 568 -5.001 -3.410 8.782 495 H LYS 569 H LYS 569 -3.492 -4.272 8.102 496 HA LYS 569 HA LYS 569 -1.334 -5.092 9.808 497 1HB LYS 569 1HB LYS 569 -1.142 -6.320 7.443 498 2HB LYS 569 2HB LYS 569 -0.698 -4.729 6.897 499 1HG LYS 569 1HG LYS 569 1.343 -5.703 7.242 500 2HG LYS 569 2HG LYS 569 1.111 -4.813 8.744 501 1HD LYS 569 1HD LYS 569 0.594 -7.781 8.355 502 2HD LYS 569 2HD LYS 569 2.043 -7.101 9.072 503 1HE LYS 569 1HE LYS 569 0.675 -6.146 10.867 504 2HE LYS 569 2HE LYS 569 -0.758 -6.872 10.123 505 1HZ LYS 569 1HZ LYS 569 0.189 -9.091 10.547 506 2HZ LYS 569 2HZ LYS 569 0.046 -8.222 11.949 507 3HZ LYS 569 3HZ LYS 569 1.550 -8.383 11.232 508 H THR 570 H THR 570 0.267 -3.307 9.834 509 HA THR 570 HA THR 570 -0.708 -0.923 8.522 510 HB THR 570 HB THR 570 0.010 0.356 10.607 511 HG1 THR 570 HG1 THR 570 -0.035 -0.701 12.526 512 1HG2 THR 570 1HG2 THR 570 -2.459 -1.381 10.813 513 2HG2 THR 570 2HG2 THR 570 -2.337 0.169 9.973 514 3HG2 THR 570 3HG2 THR 570 -2.151 0.101 11.725 515 H ILE 571 H ILE 571 0.837 0.071 7.436 516 HA ILE 571 HA ILE 571 3.583 -0.713 7.801 517 HB ILE 571 HB ILE 571 2.429 1.549 6.076 518 1HG1 ILE 571 1HG1 ILE 571 3.294 0.122 4.179 519 2HG1 ILE 571 2HG1 ILE 571 3.522 -1.166 5.350 520 1HG2 ILE 571 1HG2 ILE 571 4.661 2.118 6.827 521 2HG2 ILE 571 2HG2 ILE 571 4.611 1.803 5.093 522 3HG2 ILE 571 3HG2 ILE 571 5.271 0.589 6.192 523 1HD1 ILE 571 1HD1 ILE 571 1.167 -1.208 5.788 524 2HD1 ILE 571 2HD1 ILE 571 1.461 -1.369 4.050 525 3HD1 ILE 571 3HD1 ILE 571 0.921 0.173 4.727 526 H SER 572 H SER 572 4.951 0.156 9.210 527 HA SER 572 HA SER 572 4.039 2.502 10.675 528 1HB SER 572 1HB SER 572 6.217 0.503 11.306 529 2HB SER 572 2HB SER 572 5.625 1.771 12.384 530 HG SER 572 HG SER 572 3.566 0.422 11.455 531 H VAL 573 H VAL 573 4.742 4.345 9.821 532 HA VAL 573 HA VAL 573 7.534 4.480 8.874 533 HB VAL 573 HB VAL 573 5.274 6.319 8.080 534 1HG1 VAL 573 1HG1 VAL 573 6.797 7.077 6.301 535 2HG1 VAL 573 2HG1 VAL 573 8.055 6.028 6.954 536 3HG1 VAL 573 3HG1 VAL 573 7.444 7.373 7.916 537 1HG2 VAL 573 1HG2 VAL 573 4.772 4.163 7.162 538 2HG2 VAL 573 2HG2 VAL 573 6.417 3.986 6.562 539 3HG2 VAL 573 3HG2 VAL 573 5.353 5.192 5.851 540 H LYS 574 H LYS 574 8.782 5.572 10.244 541 HA LYS 574 HA LYS 574 7.617 7.309 12.174 542 1HB LYS 574 1HB LYS 574 9.413 5.864 12.841 543 2HB LYS 574 2HB LYS 574 10.460 6.512 11.592 544 1HG LYS 574 1HG LYS 574 10.659 8.568 12.694 545 2HG LYS 574 2HG LYS 574 9.381 8.173 13.860 546 1HD LYS 574 1HD LYS 574 11.563 7.913 14.918 547 2HD LYS 574 2HD LYS 574 10.779 6.342 14.661 548 1HE LYS 574 1HE LYS 574 12.122 5.848 12.818 549 2HE LYS 574 2HE LYS 574 12.825 7.470 12.763 550 1HZ LYS 574 1HZ LYS 574 13.897 6.983 14.878 551 2HZ LYS 574 2HZ LYS 574 14.335 5.863 13.716 552 3HZ LYS 574 3HZ LYS 574 13.214 5.449 14.916 553 H VAL 575 H VAL 575 7.397 9.346 12.054 554 HA VAL 575 HA VAL 575 8.391 10.819 9.749 555 HB VAL 575 HB VAL 575 6.452 11.619 11.952 556 1HG1 VAL 575 1HG1 VAL 575 5.872 13.532 10.508 557 2HG1 VAL 575 2HG1 VAL 575 7.115 13.042 9.358 558 3HG1 VAL 575 3HG1 VAL 575 7.573 13.579 10.974 559 1HG2 VAL 575 1HG2 VAL 575 5.929 10.794 9.094 560 2HG2 VAL 575 2HG2 VAL 575 4.710 11.373 10.231 561 3HG2 VAL 575 3HG2 VAL 575 5.554 9.856 10.539 562 H ILE 576 H ILE 576 9.917 12.433 9.944 563 HA ILE 576 HA ILE 576 11.221 12.583 12.565 564 HB ILE 576 HB ILE 576 12.446 13.314 9.870 565 1HG1 ILE 576 1HG1 ILE 576 11.807 10.930 9.852 566 2HG1 ILE 576 2HG1 ILE 576 13.550 11.128 9.797 567 1HG2 ILE 576 1HG2 ILE 576 13.745 12.660 12.524 568 2HG2 ILE 576 2HG2 ILE 576 13.590 14.266 11.815 569 3HG2 ILE 576 3HG2 ILE 576 14.597 13.051 11.030 570 1HD1 ILE 576 1HD1 ILE 576 13.636 10.566 12.158 571 2HD1 ILE 576 2HD1 ILE 576 12.862 9.300 11.165 572 3HD1 ILE 576 3HD1 ILE 576 11.873 10.398 12.158 573 H ASP 577 H ASP 577 12.086 14.692 13.039 574 HA ASP 577 HA ASP 577 10.191 16.760 12.547 575 1HB ASP 577 1HB ASP 577 11.663 18.274 13.875 576 2HB ASP 577 2HB ASP 577 11.330 16.775 14.718 577 H ASP 578 H ASP 578 10.185 18.388 11.182 578 HA ASP 578 HA ASP 578 11.713 18.137 8.817 579 1HB ASP 578 1HB ASP 578 9.548 19.910 9.639 580 2HB ASP 578 2HB ASP 578 10.749 20.729 8.651 581 H GLU 579 H GLU 579 13.413 18.921 8.162 582 HA GLU 579 HA GLU 579 15.057 20.464 9.976 583 1HB GLU 579 1HB GLU 579 16.671 19.525 7.970 584 2HB GLU 579 2HB GLU 579 16.465 18.800 9.553 585 1HG GLU 579 1HG GLU 579 16.289 17.123 7.774 586 2HG GLU 579 2HG GLU 579 14.775 17.274 8.645 587 H GLU 580 H GLU 580 13.156 21.211 7.362 588 HA GLU 580 HA GLU 580 14.977 23.356 6.600 589 1HB GLU 580 1HB GLU 580 14.657 23.000 4.271 590 2HB GLU 580 2HB GLU 580 15.073 21.441 4.954 591 1HG GLU 580 1HG GLU 580 12.271 22.322 4.215 592 2HG GLU 580 2HG GLU 580 13.330 21.343 3.219 593 H TYR 581 H TYR 581 13.580 24.749 4.918 594 HA TYR 581 HA TYR 581 11.375 25.885 6.261 595 1HB TYR 581 1HB TYR 581 11.117 27.315 4.322 596 2HB TYR 581 2HB TYR 581 12.844 27.092 4.564 597 HD1 TYR 581 HD1 TYR 581 9.960 26.124 2.518 598 HD2 TYR 581 HD2 TYR 581 14.185 26.020 2.859 599 HE1 TYR 581 HE1 TYR 581 10.061 25.320 0.293 600 HE2 TYR 581 HE2 TYR 581 14.341 25.210 0.536 601 HH TYR 581 HH TYR 581 11.755 25.354 -1.586 602 H GLU 582 H GLU 582 9.116 25.875 5.486 603 HA GLU 582 HA GLU 582 8.447 23.178 4.717 604 1HB GLU 582 1HB GLU 582 6.725 25.423 5.667 605 2HB GLU 582 2HB GLU 582 6.143 23.814 5.271 606 1HG GLU 582 1HG GLU 582 8.188 24.442 7.363 607 2HG GLU 582 2HG GLU 582 6.474 24.159 7.661 608 H LYS 583 H LYS 583 7.022 22.533 3.305 609 HA LYS 583 HA LYS 583 5.909 24.136 1.244 610 1HB LYS 583 1HB LYS 583 6.969 22.756 -0.561 611 2HB LYS 583 2HB LYS 583 8.120 23.801 0.258 612 1HG LYS 583 1HG LYS 583 9.066 21.970 1.438 613 2HG LYS 583 2HG LYS 583 7.758 20.897 0.946 614 1HD LYS 583 1HD LYS 583 9.822 20.491 -0.336 615 2HD LYS 583 2HD LYS 583 8.469 21.013 -1.343 616 1HE LYS 583 1HE LYS 583 9.374 23.238 -1.509 617 2HE LYS 583 2HE LYS 583 10.653 22.862 -0.362 618 1HZ LYS 583 1HZ LYS 583 10.329 21.604 -3.045 619 2HZ LYS 583 2HZ LYS 583 11.601 21.323 -1.980 620 3HZ LYS 583 3HZ LYS 583 11.415 22.826 -2.688 621 H ASN 584 H ASN 584 4.673 22.430 -0.195 622 HA ASN 584 HA ASN 584 3.465 20.547 1.650 623 1HB ASN 584 1HB ASN 584 2.038 21.785 -0.025 624 2HB ASN 584 2HB ASN 584 2.869 20.920 -1.318 625 1HD2 ASN 584 1HD2 ASN 584 0.048 21.026 -0.596 626 2HD2 ASN 584 2HD2 ASN 584 -0.457 19.406 -0.300 627 H LYS 585 H LYS 585 4.771 18.949 2.113 628 HA LYS 585 HA LYS 585 6.056 17.605 -0.088 629 1HB LYS 585 1HB LYS 585 7.902 18.415 0.929 630 2HB LYS 585 2HB LYS 585 7.131 18.584 2.490 631 1HG LYS 585 1HG LYS 585 7.879 15.875 1.475 632 2HG LYS 585 2HG LYS 585 9.139 16.945 2.089 633 1HD LYS 585 1HD LYS 585 6.656 16.121 3.567 634 2HD LYS 585 2HD LYS 585 8.256 15.411 3.845 635 1HE LYS 585 1HE LYS 585 9.003 17.847 4.344 636 2HE LYS 585 2HE LYS 585 7.288 18.220 4.441 637 1HZ LYS 585 1HZ LYS 585 8.184 17.803 6.599 638 2HZ LYS 585 2HZ LYS 585 8.833 16.353 6.099 639 3HZ LYS 585 3HZ LYS 585 7.139 16.496 6.255 640 H THR 586 H THR 586 5.958 15.463 -0.242 641 HA THR 586 HA THR 586 4.566 13.896 1.721 642 HB THR 586 HB THR 586 2.708 14.935 0.653 643 HG1 THR 586 HG1 THR 586 2.560 12.700 0.948 644 1HG2 THR 586 1HG2 THR 586 3.865 14.121 -2.011 645 2HG2 THR 586 2HG2 THR 586 3.733 15.770 -1.374 646 3HG2 THR 586 3HG2 THR 586 2.273 14.848 -1.750 647 H PHE 587 H PHE 587 4.768 11.806 1.449 648 HA PHE 587 HA PHE 587 6.474 10.904 -0.699 649 1HB PHE 587 1HB PHE 587 7.258 9.143 1.093 650 2HB PHE 587 2HB PHE 587 8.031 10.707 0.982 651 HD1 PHE 587 HD1 PHE 587 5.408 8.825 2.971 652 HD2 PHE 587 HD2 PHE 587 8.205 12.046 2.821 653 HE1 PHE 587 HE1 PHE 587 5.132 9.209 5.385 654 HE2 PHE 587 HE2 PHE 587 7.902 12.404 5.222 655 HZ PHE 587 HZ PHE 587 6.369 10.977 6.500 656 H PHE 588 H PHE 588 6.245 8.635 -1.166 657 HA PHE 588 HA PHE 588 3.387 7.920 -0.933 658 1HB PHE 588 1HB PHE 588 5.270 7.104 -3.152 659 2HB PHE 588 2HB PHE 588 3.517 6.990 -3.105 660 HD1 PHE 588 HD1 PHE 588 2.165 9.131 -3.078 661 HD2 PHE 588 HD2 PHE 588 6.300 8.975 -4.012 662 HE1 PHE 588 HE1 PHE 588 1.989 11.317 -4.199 663 HE2 PHE 588 HE2 PHE 588 6.137 11.158 -5.122 664 HZ PHE 588 HZ PHE 588 3.980 12.331 -5.220 665 H LEU 589 H LEU 589 2.883 5.822 -0.474 666 HA LEU 589 HA LEU 589 5.148 4.054 0.212 667 1HB LEU 589 1HB LEU 589 3.482 4.914 2.057 668 2HB LEU 589 2HB LEU 589 2.372 3.761 1.350 669 HG LEU 589 HG LEU 589 3.364 2.846 3.343 670 1HD1 LEU 589 1HD1 LEU 589 4.394 1.483 0.883 671 2HD1 LEU 589 2HD1 LEU 589 2.893 1.168 1.774 672 3HD1 LEU 589 3HD1 LEU 589 4.447 0.795 2.503 673 1HD2 LEU 589 1HD2 LEU 589 6.011 3.304 2.023 674 2HD2 LEU 589 2HD2 LEU 589 5.757 2.420 3.525 675 3HD2 LEU 589 3HD2 LEU 589 5.353 4.140 3.428 676 H GLU 590 H GLU 590 5.285 2.403 -1.151 677 HA GLU 590 HA GLU 590 2.842 1.514 -2.541 678 1HB GLU 590 1HB GLU 590 4.306 2.866 -4.018 679 2HB GLU 590 2HB GLU 590 5.632 1.774 -3.673 680 1HG GLU 590 1HG GLU 590 4.412 -0.052 -4.742 681 2HG GLU 590 2HG GLU 590 3.078 1.050 -5.089 682 H ILE 591 H ILE 591 2.590 -0.640 -2.638 683 HA ILE 591 HA ILE 591 4.631 -2.268 -1.344 684 HB ILE 591 HB ILE 591 2.851 -3.957 -1.041 685 1HG1 ILE 591 1HG1 ILE 591 0.995 -1.834 -2.157 686 2HG1 ILE 591 2HG1 ILE 591 1.398 -3.361 -2.934 687 1HG2 ILE 591 1HG2 ILE 591 3.295 -2.413 0.770 688 2HG2 ILE 591 2HG2 ILE 591 1.571 -2.779 0.703 689 3HG2 ILE 591 3HG2 ILE 591 2.173 -1.246 0.074 690 1HD1 ILE 591 1HD1 ILE 591 -0.786 -3.466 -1.907 691 2HD1 ILE 591 2HD1 ILE 591 -0.091 -2.990 -0.359 692 3HD1 ILE 591 3HD1 ILE 591 0.325 -4.556 -1.066 693 H GLY 592 H GLY 592 5.182 -4.224 -2.323 694 1HA GLY 592 1HA GLY 592 5.029 -4.058 -5.228 695 2HA GLY 592 2HA GLY 592 6.155 -5.053 -4.302 696 H GLU 593 H GLU 593 5.637 -6.913 -5.445 697 HA GLU 593 HA GLU 593 2.895 -7.780 -5.415 698 1HB GLU 593 1HB GLU 593 4.380 -8.226 -7.377 699 2HB GLU 593 2HB GLU 593 5.353 -9.276 -6.355 700 1HG GLU 593 1HG GLU 593 3.349 -10.685 -5.973 701 2HG GLU 593 2HG GLU 593 2.475 -9.662 -7.111 702 HA PRO 594 HA PRO 594 3.548 -9.647 -1.368 703 1HB PRO 594 1HB PRO 594 1.229 -11.185 -1.478 704 2HB PRO 594 2HB PRO 594 1.317 -9.534 -0.867 705 1HG PRO 594 1HG PRO 594 0.472 -10.525 -3.535 706 2HG PRO 594 2HG PRO 594 -0.207 -9.198 -2.587 707 1HD PRO 594 1HD PRO 594 1.380 -8.768 -4.692 708 2HD PRO 594 2HD PRO 594 1.465 -7.725 -3.257 709 H ARG 595 H ARG 595 4.109 -11.714 -0.617 710 HA ARG 595 HA ARG 595 4.503 -13.629 -2.748 711 1HB ARG 595 1HB ARG 595 6.846 -14.012 -1.970 712 2HB ARG 595 2HB ARG 595 6.577 -12.403 -2.618 713 1HG ARG 595 1HG ARG 595 6.251 -11.675 -0.190 714 2HG ARG 595 2HG ARG 595 6.944 -13.244 0.225 715 1HD ARG 595 1HD ARG 595 8.265 -11.088 -1.423 716 2HD ARG 595 2HD ARG 595 8.642 -11.495 0.246 717 HE ARG 595 HE ARG 595 8.999 -13.416 -1.943 718 1HH1 ARG 595 1HH1 ARG 595 10.332 -11.680 0.915 719 2HH1 ARG 595 2HH1 ARG 595 11.819 -12.466 0.834 720 1HH2 ARG 595 1HH2 ARG 595 11.121 -14.439 -2.034 721 2HH2 ARG 595 2HH2 ARG 595 12.293 -14.046 -0.851 722 H LEU 596 H LEU 596 4.217 -15.690 -2.197 723 HA LEU 596 HA LEU 596 2.896 -16.209 0.314 724 1HB LEU 596 1HB LEU 596 2.721 -17.237 -2.213 725 2HB LEU 596 2HB LEU 596 3.685 -18.471 -1.429 726 HG LEU 596 HG LEU 596 1.522 -19.278 -1.269 727 1HD1 LEU 596 1HD1 LEU 596 1.895 -17.827 1.316 728 2HD1 LEU 596 2HD1 LEU 596 2.550 -19.410 0.891 729 3HD1 LEU 596 3HD1 LEU 596 0.803 -19.185 1.042 730 1HD2 LEU 596 1HD2 LEU 596 0.285 -17.437 -2.088 731 2HD2 LEU 596 2HD2 LEU 596 0.640 -16.481 -0.662 732 3HD2 LEU 596 3HD2 LEU 596 -0.425 -17.886 -0.533 733 H VAL 597 H VAL 597 3.919 -17.013 2.105 734 HA VAL 597 HA VAL 597 6.781 -17.424 2.051 735 HB VAL 597 HB VAL 597 4.831 -17.992 4.306 736 1HG1 VAL 597 1HG1 VAL 597 7.815 -17.567 4.380 737 2HG1 VAL 597 2HG1 VAL 597 6.974 -19.096 4.623 738 3HG1 VAL 597 3HG1 VAL 597 6.771 -17.784 5.784 739 1HG2 VAL 597 1HG2 VAL 597 4.672 -15.703 3.623 740 2HG2 VAL 597 2HG2 VAL 597 6.434 -15.527 3.727 741 3HG2 VAL 597 3HG2 VAL 597 5.476 -15.818 5.189 742 H GLU 598 H GLU 598 3.938 -19.353 2.364 743 HA GLU 598 HA GLU 598 5.406 -21.833 2.707 744 1HB GLU 598 1HB GLU 598 2.457 -21.274 2.472 745 2HB GLU 598 2HB GLU 598 3.189 -22.801 2.954 746 1HG GLU 598 1HG GLU 598 4.094 -21.793 4.941 747 2HG GLU 598 2HG GLU 598 3.507 -20.212 4.443 748 H MET 599 H MET 599 5.911 -23.177 1.209 749 HA MET 599 HA MET 599 5.494 -22.420 -1.473 750 1HB MET 599 1HB MET 599 6.603 -24.464 -2.164 751 2HB MET 599 2HB MET 599 7.514 -23.668 -0.899 752 1HG MET 599 1HG MET 599 6.960 -25.296 0.687 753 2HG MET 599 2HG MET 599 5.629 -25.919 -0.288 754 1HE MET 599 1HE MET 599 6.895 -26.166 -3.205 755 2HE MET 599 2HE MET 599 5.892 -27.361 -2.408 756 3HE MET 599 3HE MET 599 7.424 -27.849 -3.133 757 H SER 600 H SER 600 3.905 -22.677 -2.618 758 HA SER 600 HA SER 600 2.114 -24.924 -2.151 759 1HB SER 600 1HB SER 600 0.387 -23.380 -3.242 760 2HB SER 600 2HB SER 600 0.909 -23.010 -1.590 761 HG SER 600 HG SER 600 1.979 -21.306 -2.265 762 H GLU 601 H GLU 601 3.137 -26.323 -3.519 763 HA GLU 601 HA GLU 601 3.742 -25.536 -6.191 764 1HB GLU 601 1HB GLU 601 5.138 -27.196 -4.943 765 2HB GLU 601 2HB GLU 601 3.782 -28.311 -4.968 766 1HG GLU 601 1HG GLU 601 3.882 -28.455 -7.356 767 2HG GLU 601 2HG GLU 601 5.153 -27.233 -7.419 768 H LYS 602 H LYS 602 2.002 -24.982 -7.161 769 HA LYS 602 HA LYS 602 -0.405 -26.509 -6.911 770 1HB LYS 602 1HB LYS 602 -1.410 -24.566 -8.257 771 2HB LYS 602 2HB LYS 602 -0.871 -24.258 -6.614 772 1HG LYS 602 1HG LYS 602 1.252 -23.356 -7.566 773 2HG LYS 602 2HG LYS 602 0.541 -23.504 -9.171 774 1HD LYS 602 1HD LYS 602 0.260 -21.245 -8.446 775 2HD LYS 602 2HD LYS 602 -1.321 -22.023 -8.371 776 1HE LYS 602 1HE LYS 602 -0.990 -20.660 -6.398 777 2HE LYS 602 2HE LYS 602 -1.005 -22.350 -5.924 778 1HZ LYS 602 1HZ LYS 602 1.417 -20.650 -6.268 779 2HZ LYS 602 2HZ LYS 602 1.455 -22.272 -5.816 780 3HZ LYS 602 3HZ LYS 602 0.762 -21.138 -4.794 781 H LYS 603 H LYS 603 0.238 -28.212 -7.836 782 HA LYS 603 HA LYS 603 0.993 -28.409 -10.593 783 1HB LYS 603 1HB LYS 603 0.923 -30.867 -10.114 784 2HB LYS 603 2HB LYS 603 1.969 -29.895 -9.081 785 1HG LYS 603 1HG LYS 603 0.195 -29.888 -7.354 786 2HG LYS 603 2HG LYS 603 -0.732 -30.983 -8.370 787 1HD LYS 603 1HD LYS 603 0.410 -32.183 -6.621 788 2HD LYS 603 2HD LYS 603 1.059 -32.656 -8.181 789 1HE LYS 603 1HE LYS 603 2.370 -30.572 -6.425 790 2HE LYS 603 2HE LYS 603 2.705 -32.285 -6.243 791 1HZ LYS 603 1HZ LYS 603 3.553 -32.323 -8.507 792 2HZ LYS 603 2HZ LYS 603 4.360 -31.213 -7.533 793 3HZ LYS 603 3HZ LYS 603 3.320 -30.648 -8.692 794 H GLY 604 H GLY 604 -0.151 -29.699 -12.128 795 1HA GLY 604 1HA GLY 604 -2.206 -30.665 -12.889 796 2HA GLY 604 2HA GLY 604 -3.064 -29.571 -11.791 797 H GLY 605 H GLY 605 -2.134 -27.236 -12.100 798 1HA GLY 605 1HA GLY 605 -2.557 -26.561 -14.897 799 2HA GLY 605 2HA GLY 605 -2.519 -25.429 -13.547 800 H PHE 606 H PHE 606 -0.144 -26.202 -12.330 801 HA PHE 606 HA PHE 606 1.772 -25.362 -14.343 802 1HB PHE 606 1HB PHE 606 1.989 -25.455 -11.323 803 2HB PHE 606 2HB PHE 606 3.293 -24.958 -12.398 804 HD1 PHE 606 HD1 PHE 606 3.328 -22.787 -13.373 805 HD2 PHE 606 HD2 PHE 606 -0.049 -24.097 -11.156 806 HE1 PHE 606 HE1 PHE 606 2.447 -20.489 -13.357 807 HE2 PHE 606 HE2 PHE 606 -0.929 -21.825 -11.127 808 HZ PHE 606 HZ PHE 606 0.295 -20.012 -12.222 809 H THR 607 H THR 607 3.837 -26.417 -14.443 810 HA THR 607 HA THR 607 3.457 -29.247 -14.563 811 HB THR 607 HB THR 607 5.737 -28.970 -15.694 812 HG1 THR 607 HG1 THR 607 5.723 -26.560 -16.433 813 1HG2 THR 607 1HG2 THR 607 4.695 -28.142 -17.745 814 2HG2 THR 607 2HG2 THR 607 3.341 -27.498 -16.818 815 3HG2 THR 607 3HG2 THR 607 3.595 -29.242 -16.914 816 H ILE 608 H ILE 608 5.706 -30.411 -14.196 817 HA ILE 608 HA ILE 608 6.517 -29.965 -11.426 818 HB ILE 608 HB ILE 608 7.495 -32.031 -13.371 819 1HG1 ILE 608 1HG1 ILE 608 5.078 -32.301 -13.330 820 2HG1 ILE 608 2HG1 ILE 608 5.813 -33.643 -12.466 821 1HG2 ILE 608 1HG2 ILE 608 7.357 -32.036 -10.334 822 2HG2 ILE 608 2HG2 ILE 608 8.803 -31.818 -11.317 823 3HG2 ILE 608 3HG2 ILE 608 7.974 -33.377 -11.305 824 1HD1 ILE 608 1HD1 ILE 608 4.546 -31.222 -11.217 825 2HD1 ILE 608 2HD1 ILE 608 5.245 -32.591 -10.345 826 3HD1 ILE 608 3HD1 ILE 608 3.817 -32.817 -11.365 827 H THR 609 H THR 609 7.335 -27.890 -12.459 828 HA THR 609 HA THR 609 10.087 -28.186 -13.230 829 HB THR 609 HB THR 609 7.927 -27.015 -14.979 830 HG1 THR 609 HG1 THR 609 9.073 -29.349 -14.897 831 1HG2 THR 609 1HG2 THR 609 10.920 -26.829 -15.359 832 2HG2 THR 609 2HG2 THR 609 9.816 -25.490 -15.018 833 3HG2 THR 609 3HG2 THR 609 9.710 -26.350 -16.554 834 H GLU 610 H GLU 610 11.250 -26.436 -12.574 835 HA GLU 610 HA GLU 610 9.829 -24.423 -11.011 836 1HB GLU 610 1HB GLU 610 12.731 -25.294 -10.914 837 2HB GLU 610 2HB GLU 610 12.040 -24.045 -9.910 838 1HG GLU 610 1HG GLU 610 12.307 -26.050 -8.610 839 2HG GLU 610 2HG GLU 610 10.590 -25.759 -8.848 840 H GLU 611 H GLU 611 9.341 -23.177 -12.898 841 HA GLU 611 HA GLU 611 11.621 -21.623 -13.876 842 1HB GLU 611 1HB GLU 611 9.468 -22.853 -15.597 843 2HB GLU 611 2HB GLU 611 10.541 -21.581 -16.137 844 1HG GLU 611 1HG GLU 611 11.393 -24.321 -15.251 845 2HG GLU 611 2HG GLU 611 11.223 -23.793 -16.926 846 H TYR 612 H TYR 612 11.093 -19.557 -14.542 847 HA TYR 612 HA TYR 612 10.078 -17.613 -14.625 848 1HB TYR 612 1HB TYR 612 7.582 -19.276 -14.954 849 2HB TYR 612 2HB TYR 612 7.631 -17.525 -15.161 850 HD1 TYR 612 HD1 TYR 612 8.282 -20.703 -16.718 851 HD2 TYR 612 HD2 TYR 612 9.140 -16.565 -16.875 852 HE1 TYR 612 HE1 TYR 612 9.100 -20.975 -19.038 853 HE2 TYR 612 HE2 TYR 612 9.947 -16.800 -19.176 854 HH TYR 612 HH TYR 612 9.398 -19.477 -21.084 855 H ASP 613 H ASP 613 10.527 -18.865 -12.212 856 HA ASP 613 HA ASP 613 8.843 -17.124 -10.527 857 1HB ASP 613 1HB ASP 613 10.221 -19.693 -9.773 858 2HB ASP 613 2HB ASP 613 9.695 -18.536 -8.561 859 H ASP 614 H ASP 614 9.827 -15.487 -9.590 860 HA ASP 614 HA ASP 614 12.550 -15.442 -8.812 861 1HB ASP 614 1HB ASP 614 12.786 -15.241 -11.297 862 2HB ASP 614 2HB ASP 614 11.691 -13.874 -11.283 863 H LYS 615 H LYS 615 12.904 -12.981 -8.133 864 HA LYS 615 HA LYS 615 10.371 -12.141 -7.050 865 1HB LYS 615 1HB LYS 615 13.129 -10.962 -6.650 866 2HB LYS 615 2HB LYS 615 11.677 -10.423 -5.816 867 1HG LYS 615 1HG LYS 615 11.443 -12.696 -4.850 868 2HG LYS 615 2HG LYS 615 12.972 -13.135 -5.603 869 1HD LYS 615 1HD LYS 615 12.571 -10.942 -3.571 870 2HD LYS 615 2HD LYS 615 13.227 -12.540 -3.225 871 1HE LYS 615 1HE LYS 615 15.130 -12.069 -4.714 872 2HE LYS 615 2HE LYS 615 14.460 -10.477 -5.067 873 1HZ LYS 615 1HZ LYS 615 16.161 -10.317 -3.359 874 2HZ LYS 615 2HZ LYS 615 15.349 -11.436 -2.403 875 3HZ LYS 615 3HZ LYS 615 14.648 -9.950 -2.694 876 H GLN 616 H GLN 616 9.562 -11.831 -9.137 877 HA GLN 616 HA GLN 616 10.472 -9.491 -10.582 878 1HB GLN 616 1HB GLN 616 8.368 -11.564 -11.218 879 2HB GLN 616 2HB GLN 616 8.598 -10.122 -12.168 880 1HG GLN 616 1HG GLN 616 10.668 -12.254 -11.739 881 2HG GLN 616 2HG GLN 616 9.674 -12.057 -13.187 882 1HE2 GLN 616 1HE2 GLN 616 12.440 -10.995 -11.467 883 2HE2 GLN 616 2HE2 GLN 616 12.978 -9.836 -12.612 884 HA PRO 617 HA PRO 617 7.008 -7.110 -9.004 885 1HB PRO 617 1HB PRO 617 6.929 -5.516 -11.406 886 2HB PRO 617 2HB PRO 617 7.581 -5.056 -9.832 887 1HG PRO 617 1HG PRO 617 9.087 -5.426 -12.105 888 2HG PRO 617 2HG PRO 617 9.719 -5.563 -10.457 889 1HD PRO 617 1HD PRO 617 8.924 -7.736 -12.363 890 2HD PRO 617 2HD PRO 617 10.243 -7.664 -11.174 891 H LEU 618 H LEU 618 4.958 -6.009 -10.384 892 HA LEU 618 HA LEU 618 3.446 -8.258 -11.234 893 1HB LEU 618 1HB LEU 618 2.875 -5.284 -11.367 894 2HB LEU 618 2HB LEU 618 1.716 -6.514 -11.814 895 HG LEU 618 HG LEU 618 1.101 -5.724 -9.678 896 1HD1 LEU 618 1HD1 LEU 618 0.846 -8.045 -9.941 897 2HD1 LEU 618 2HD1 LEU 618 1.307 -7.714 -8.259 898 3HD1 LEU 618 3HD1 LEU 618 2.496 -8.335 -9.409 899 1HD2 LEU 618 1HD2 LEU 618 2.571 -5.773 -7.701 900 2HD2 LEU 618 2HD2 LEU 618 3.168 -4.658 -8.935 901 3HD2 LEU 618 3HD2 LEU 618 3.922 -6.242 -8.731 902 H THR 619 H THR 619 3.896 -9.209 -13.169 903 HA THR 619 HA THR 619 4.359 -7.437 -15.372 904 HB THR 619 HB THR 619 6.283 -9.136 -16.023 905 HG1 THR 619 HG1 THR 619 6.135 -9.284 -13.175 906 1HG2 THR 619 1HG2 THR 619 6.652 -6.984 -13.939 907 2HG2 THR 619 2HG2 THR 619 6.564 -6.721 -15.678 908 3HG2 THR 619 3HG2 THR 619 7.920 -7.629 -14.991 909 H SER 620 H SER 620 2.139 -8.325 -15.713 910 HA SER 620 HA SER 620 1.982 -11.120 -16.445 911 1HB SER 620 1HB SER 620 -0.222 -9.117 -16.682 912 2HB SER 620 2HB SER 620 -0.325 -10.837 -16.355 913 HG SER 620 HG SER 620 1.165 -9.967 -14.442 914 H LYS 621 H LYS 621 2.361 -8.049 -17.952 915 HA LYS 621 HA LYS 621 2.725 -7.349 -20.020 916 1HB LYS 621 1HB LYS 621 4.268 -9.222 -20.200 917 2HB LYS 621 2HB LYS 621 2.952 -10.294 -20.634 918 1HG LYS 621 1HG LYS 621 2.687 -9.186 -22.754 919 2HG LYS 621 2HG LYS 621 3.878 -7.965 -22.305 920 1HD LYS 621 1HD LYS 621 4.868 -9.648 -23.782 921 2HD LYS 621 2HD LYS 621 5.611 -9.684 -22.187 922 1HE LYS 621 1HE LYS 621 4.255 -11.628 -21.581 923 2HE LYS 621 2HE LYS 621 3.466 -11.577 -23.154 924 1HZ LYS 621 1HZ LYS 621 5.241 -13.234 -23.029 925 2HZ LYS 621 2HZ LYS 621 6.369 -12.047 -22.716 926 3HZ LYS 621 3HZ LYS 621 5.553 -12.088 -24.208 927 H GLU 622 H GLU 622 0.661 -10.179 -20.453 928 HA GLU 622 HA GLU 622 -1.745 -9.041 -21.168 929 1HB GLU 622 1HB GLU 622 -0.437 -7.989 -23.039 930 2HB GLU 622 2HB GLU 622 -0.045 -9.598 -23.615 931 1HG GLU 622 1HG GLU 622 -2.399 -10.029 -24.031 932 2HG GLU 622 2HG GLU 622 -2.800 -8.422 -23.422 933 H GLU 623 H GLU 623 0.675 -11.308 -22.058 934 HA GLU 623 HA GLU 623 -0.563 -13.495 -23.102 935 1HB GLU 623 1HB GLU 623 1.837 -13.175 -22.877 936 2HB GLU 623 2HB GLU 623 1.718 -13.370 -21.141 937 1HG GLU 623 1HG GLU 623 0.995 -15.698 -21.497 938 2HG GLU 623 2HG GLU 623 1.215 -15.467 -23.232 939 H GLU 624 H GLU 624 -2.052 -14.919 -22.390 940 HA GLU 624 HA GLU 624 -3.237 -14.824 -19.847 941 1HB GLU 624 1HB GLU 624 -4.385 -15.672 -21.833 942 2HB GLU 624 2HB GLU 624 -3.309 -17.064 -21.883 943 1HG GLU 624 1HG GLU 624 -4.193 -17.769 -19.688 944 2HG GLU 624 2HG GLU 624 -5.299 -16.399 -19.722 945 H GLU 625 H GLU 625 -0.788 -16.901 -21.243 946 HA GLU 625 HA GLU 625 -0.516 -18.823 -19.254 947 1HB GLU 625 1HB GLU 625 1.787 -17.612 -20.798 948 2HB GLU 625 2HB GLU 625 1.692 -19.222 -20.115 949 1HG GLU 625 1HG GLU 625 0.108 -18.174 -22.457 950 2HG GLU 625 2HG GLU 625 1.461 -19.297 -22.518 951 H ARG 626 H ARG 626 0.847 -15.573 -19.565 952 HA ARG 626 HA ARG 626 2.464 -15.779 -17.272 953 1HB ARG 626 1HB ARG 626 2.650 -14.153 -19.326 954 2HB ARG 626 2HB ARG 626 1.538 -13.160 -18.390 955 1HG ARG 626 1HG ARG 626 3.949 -12.567 -18.122 956 2HG ARG 626 2HG ARG 626 3.094 -12.910 -16.618 957 1HD ARG 626 1HD ARG 626 5.442 -13.934 -16.955 958 2HD ARG 626 2HD ARG 626 4.158 -14.967 -16.328 959 HE ARG 626 HE ARG 626 4.534 -14.982 -19.203 960 1HH1 ARG 626 1HH1 ARG 626 5.501 -16.529 -16.182 961 2HH1 ARG 626 2HH1 ARG 626 5.598 -18.104 -16.850 962 1HH2 ARG 626 1HH2 ARG 626 4.602 -17.061 -20.105 963 2HH2 ARG 626 2HH2 ARG 626 5.103 -18.431 -19.211 964 H ARG 627 H ARG 627 -0.659 -14.279 -17.997 965 HA ARG 627 HA ARG 627 -1.181 -13.184 -15.500 966 1HB ARG 627 1HB ARG 627 -3.005 -14.224 -17.639 967 2HB ARG 627 2HB ARG 627 -3.652 -13.631 -16.117 968 1HG ARG 627 1HG ARG 627 -2.615 -11.464 -16.501 969 2HG ARG 627 2HG ARG 627 -1.923 -12.056 -18.010 970 1HD ARG 627 1HD ARG 627 -4.872 -12.197 -17.550 971 2HD ARG 627 2HD ARG 627 -4.148 -10.679 -18.052 972 HE ARG 627 HE ARG 627 -3.273 -11.940 -19.999 973 1HH1 ARG 627 1HH1 ARG 627 -6.144 -13.255 -18.360 974 2HH1 ARG 627 2HH1 ARG 627 -6.851 -13.804 -19.813 975 1HH2 ARG 627 1HH2 ARG 627 -4.294 -12.685 -21.951 976 2HH2 ARG 627 2HH2 ARG 627 -5.794 -13.499 -21.844 977 H ILE 628 H ILE 628 -1.789 -16.506 -16.571 978 HA ILE 628 HA ILE 628 -3.012 -17.381 -14.209 979 HB ILE 628 HB ILE 628 -1.387 -18.903 -16.265 980 1HG1 ILE 628 1HG1 ILE 628 -4.386 -18.681 -15.917 981 2HG1 ILE 628 2HG1 ILE 628 -3.454 -17.727 -17.061 982 1HG2 ILE 628 1HG2 ILE 628 -1.469 -20.145 -14.165 983 2HG2 ILE 628 2HG2 ILE 628 -2.472 -20.921 -15.396 984 3HG2 ILE 628 3HG2 ILE 628 -3.225 -19.970 -14.117 985 1HD1 ILE 628 1HD1 ILE 628 -4.538 -19.609 -18.138 986 2HD1 ILE 628 2HD1 ILE 628 -3.696 -20.726 -17.054 987 3HD1 ILE 628 3HD1 ILE 628 -2.782 -19.744 -18.203 988 H ALA 629 H ALA 629 0.381 -17.259 -15.202 989 HA ALA 629 HA ALA 629 1.391 -18.516 -12.857 990 1HB ALA 629 1HB ALA 629 2.856 -16.717 -14.791 991 2HB ALA 629 2HB ALA 629 2.666 -18.462 -14.975 992 3HB ALA 629 3HB ALA 629 3.596 -17.812 -13.625 993 H GLU 630 H GLU 630 0.818 -15.215 -13.751 994 HA GLU 630 HA GLU 630 2.015 -13.910 -11.552 995 1HB GLU 630 1HB GLU 630 -0.458 -13.140 -13.096 996 2HB GLU 630 2HB GLU 630 0.470 -12.068 -12.071 997 1HG GLU 630 1HG GLU 630 1.434 -13.380 -14.600 998 2HG GLU 630 2HG GLU 630 0.909 -11.710 -14.449 999 H MET 631 H MET 631 -1.071 -15.493 -11.935 1000 HA MET 631 HA MET 631 -1.832 -14.591 -9.265 1001 1HB MET 631 1HB MET 631 -4.026 -15.478 -9.617 1002 2HB MET 631 2HB MET 631 -3.569 -14.633 -11.083 1003 1HG MET 631 1HG MET 631 -3.095 -16.749 -12.168 1004 2HG MET 631 2HG MET 631 -3.468 -17.601 -10.668 1005 1HE MET 631 1HE MET 631 -6.509 -18.619 -12.859 1006 2HE MET 631 2HE MET 631 -5.205 -19.182 -11.814 1007 3HE MET 631 3HE MET 631 -4.830 -18.438 -13.369 1008 H GLY 632 H GLY 632 0.160 -16.761 -10.324 1009 1HA GLY 632 1HA GLY 632 -0.500 -19.015 -8.657 1010 2HA GLY 632 2HA GLY 632 1.034 -18.728 -9.487 1011 H ARG 633 H ARG 633 0.958 -15.944 -8.434 1012 HA ARG 633 HA ARG 633 1.868 -16.424 -5.695 1013 1HB ARG 633 1HB ARG 633 2.504 -14.183 -7.638 1014 2HB ARG 633 2HB ARG 633 3.091 -14.259 -5.980 1015 1HG ARG 633 1HG ARG 633 4.935 -15.102 -6.952 1016 2HG ARG 633 2HG ARG 633 4.011 -16.601 -7.060 1017 1HD ARG 633 1HD ARG 633 5.006 -16.038 -9.196 1018 2HD ARG 633 2HD ARG 633 3.244 -15.949 -9.294 1019 HE ARG 633 HE ARG 633 4.212 -13.402 -8.642 1020 1HH1 ARG 633 1HH1 ARG 633 4.495 -15.601 -11.411 1021 2HH1 ARG 633 2HH1 ARG 633 4.410 -14.300 -12.543 1022 1HH2 ARG 633 1HH2 ARG 633 4.187 -11.726 -10.182 1023 2HH2 ARG 633 2HH2 ARG 633 4.261 -12.116 -11.855 1024 HA PRO 634 HA PRO 634 -1.661 -13.908 -4.612 1025 1HB PRO 634 1HB PRO 634 -0.605 -12.416 -2.586 1026 2HB PRO 634 2HB PRO 634 -1.285 -14.020 -2.365 1027 1HG PRO 634 1HG PRO 634 1.586 -13.212 -2.533 1028 2HG PRO 634 2HG PRO 634 0.843 -14.537 -1.630 1029 1HD PRO 634 1HD PRO 634 2.233 -14.872 -3.943 1030 2HD PRO 634 2HD PRO 634 0.936 -15.961 -3.420 1031 H ILE 635 H ILE 635 -2.417 -11.804 -5.110 1032 HA ILE 635 HA ILE 635 -0.331 -9.996 -5.986 1033 HB ILE 635 HB ILE 635 -1.897 -9.217 -7.846 1034 1HG1 ILE 635 1HG1 ILE 635 -3.295 -11.100 -8.843 1035 2HG1 ILE 635 2HG1 ILE 635 -3.115 -11.943 -7.317 1036 1HG2 ILE 635 1HG2 ILE 635 -0.519 -11.879 -8.040 1037 2HG2 ILE 635 2HG2 ILE 635 0.195 -10.288 -8.297 1038 3HG2 ILE 635 3HG2 ILE 635 -1.024 -10.899 -9.415 1039 1HD1 ILE 635 1HD1 ILE 635 -5.263 -10.833 -7.482 1040 2HD1 ILE 635 2HD1 ILE 635 -4.454 -9.281 -7.719 1041 3HD1 ILE 635 3HD1 ILE 635 -4.292 -10.134 -6.187 1042 H LEU 636 H LEU 636 -1.205 -7.774 -6.538 1043 HA LEU 636 HA LEU 636 -2.132 -6.751 -4.050 1044 1HB LEU 636 1HB LEU 636 -1.630 -4.555 -4.900 1045 2HB LEU 636 2HB LEU 636 -0.314 -5.632 -5.265 1046 HG LEU 636 HG LEU 636 -0.438 -4.247 -7.114 1047 1HD1 LEU 636 1HD1 LEU 636 -1.215 -5.490 -9.022 1048 2HD1 LEU 636 2HD1 LEU 636 -2.065 -6.583 -7.922 1049 3HD1 LEU 636 3HD1 LEU 636 -0.305 -6.481 -7.871 1050 1HD2 LEU 636 1HD2 LEU 636 -2.483 -3.099 -6.622 1051 2HD2 LEU 636 2HD2 LEU 636 -3.428 -4.496 -7.140 1052 3HD2 LEU 636 3HD2 LEU 636 -2.461 -3.595 -8.313 1053 H GLY 637 H GLY 637 -3.730 -4.847 -4.091 1054 1HA GLY 637 1HA GLY 637 -6.162 -5.966 -5.321 1055 2HA GLY 637 2HA GLY 637 -6.089 -5.213 -3.748 1056 H GLU 638 H GLU 638 -7.783 -4.021 -4.365 1057 HA GLU 638 HA GLU 638 -8.502 -2.594 -6.482 1058 1HB GLU 638 1HB GLU 638 -9.728 -3.053 -4.385 1059 2HB GLU 638 2HB GLU 638 -8.865 -1.729 -3.641 1060 1HG GLU 638 1HG GLU 638 -9.933 -0.152 -5.084 1061 2HG GLU 638 2HG GLU 638 -10.673 -1.457 -6.017 1062 H HIS 639 H HIS 639 -6.760 -0.967 -3.774 1063 HA HIS 639 HA HIS 639 -5.555 0.698 -5.780 1064 1HB HIS 639 1HB HIS 639 -6.034 2.825 -4.549 1065 2HB HIS 639 2HB HIS 639 -7.437 2.074 -5.280 1066 HD1 HIS 639 HD1 HIS 639 -6.152 3.353 -2.071 1067 HD2 HIS 639 HD2 HIS 639 -9.223 0.883 -3.375 1068 HE1 HIS 639 HE1 HIS 639 -7.827 3.265 -0.193 1069 H THR 640 H THR 640 -3.553 0.468 -5.565 1070 HA THR 640 HA THR 640 -2.478 0.394 -2.883 1071 HB THR 640 HB THR 640 -0.522 -0.790 -4.059 1072 HG1 THR 640 HG1 THR 640 -0.898 -0.701 -6.162 1073 1HG2 THR 640 1HG2 THR 640 -3.202 -2.172 -3.908 1074 2HG2 THR 640 2HG2 THR 640 -2.133 -1.849 -2.538 1075 3HG2 THR 640 3HG2 THR 640 -1.605 -2.930 -3.821 1076 H LYS 641 H LYS 641 -2.191 2.555 -2.650 1077 HA LYS 641 HA LYS 641 0.216 3.638 -3.497 1078 1HB LYS 641 1HB LYS 641 -1.121 3.946 -5.577 1079 2HB LYS 641 2HB LYS 641 -2.297 4.900 -4.687 1080 1HG LYS 641 1HG LYS 641 0.617 5.696 -5.048 1081 2HG LYS 641 2HG LYS 641 -0.683 6.200 -6.132 1082 1HD LYS 641 1HD LYS 641 -1.741 7.311 -4.199 1083 2HD LYS 641 2HD LYS 641 -0.356 6.843 -3.211 1084 1HE LYS 641 1HE LYS 641 -0.035 9.116 -3.972 1085 2HE LYS 641 2HE LYS 641 1.117 8.059 -4.771 1086 1HZ LYS 641 1HZ LYS 641 -0.270 8.075 -6.749 1087 2HZ LYS 641 2HZ LYS 641 0.097 9.649 -6.302 1088 3HZ LYS 641 3HZ LYS 641 -1.419 9.042 -5.973 1089 H LEU 642 H LEU 642 0.665 5.162 -1.985 1090 HA LEU 642 HA LEU 642 -1.546 6.146 -0.325 1091 1HB LEU 642 1HB LEU 642 -0.414 4.241 0.765 1092 2HB LEU 642 2HB LEU 642 1.099 5.125 0.625 1093 HG LEU 642 HG LEU 642 0.006 6.953 1.968 1094 1HD1 LEU 642 1HD1 LEU 642 -2.286 6.303 1.711 1095 2HD1 LEU 642 2HD1 LEU 642 -1.827 6.260 3.419 1096 3HD1 LEU 642 3HD1 LEU 642 -1.944 4.760 2.495 1097 1HD2 LEU 642 1HD2 LEU 642 0.387 5.788 4.082 1098 2HD2 LEU 642 2HD2 LEU 642 1.681 5.563 2.906 1099 3HD2 LEU 642 3HD2 LEU 642 0.510 4.270 3.187 1100 H GLU 643 H GLU 643 -1.443 8.259 -0.669 1101 HA GLU 643 HA GLU 643 1.167 9.540 -0.959 1102 1HB GLU 643 1HB GLU 643 -0.898 9.984 -2.476 1103 2HB GLU 643 2HB GLU 643 -1.528 10.798 -1.059 1104 1HG GLU 643 1HG GLU 643 0.161 12.430 -1.092 1105 2HG GLU 643 2HG GLU 643 1.072 11.559 -2.323 1106 H VAL 644 H VAL 644 2.054 10.010 0.988 1107 HA VAL 644 HA VAL 644 0.293 10.574 3.256 1108 HB VAL 644 HB VAL 644 3.283 10.321 3.219 1109 1HG1 VAL 644 1HG1 VAL 644 1.324 9.955 5.476 1110 2HG1 VAL 644 2HG1 VAL 644 2.264 11.404 5.152 1111 3HG1 VAL 644 3HG1 VAL 644 3.090 9.918 5.587 1112 1HG2 VAL 644 1HG2 VAL 644 1.291 8.120 3.727 1113 2HG2 VAL 644 2HG2 VAL 644 3.049 7.980 3.848 1114 3HG2 VAL 644 3HG2 VAL 644 2.291 8.280 2.287 1115 H ILE 645 H ILE 645 -0.288 12.679 3.143 1116 HA ILE 645 HA ILE 645 1.805 14.594 2.536 1117 HB ILE 645 HB ILE 645 -1.140 15.145 3.128 1118 1HG1 ILE 645 1HG1 ILE 645 -1.045 15.922 0.615 1119 2HG1 ILE 645 2HG1 ILE 645 0.399 14.945 0.544 1120 1HG2 ILE 645 1HG2 ILE 645 0.254 17.013 3.799 1121 2HG2 ILE 645 2HG2 ILE 645 -0.698 17.440 2.377 1122 3HG2 ILE 645 3HG2 ILE 645 1.010 17.053 2.205 1123 1HD1 ILE 645 1HD1 ILE 645 -0.887 12.959 1.162 1124 2HD1 ILE 645 2HD1 ILE 645 -1.559 13.706 -0.279 1125 3HD1 ILE 645 3HD1 ILE 645 -2.343 13.932 1.269 1126 H ILE 646 H ILE 646 2.966 15.485 4.050 1127 HA ILE 646 HA ILE 646 2.179 14.982 6.827 1128 HB ILE 646 HB ILE 646 4.890 15.978 5.894 1129 1HG1 ILE 646 1HG1 ILE 646 5.606 13.483 6.354 1130 2HG1 ILE 646 2HG1 ILE 646 3.911 13.149 6.053 1131 1HG2 ILE 646 1HG2 ILE 646 4.430 16.301 8.244 1132 2HG2 ILE 646 2HG2 ILE 646 5.685 15.081 8.027 1133 3HG2 ILE 646 3HG2 ILE 646 4.041 14.591 8.423 1134 1HD1 ILE 646 1HD1 ILE 646 5.238 12.827 4.049 1135 2HD1 ILE 646 2HD1 ILE 646 5.783 14.502 4.137 1136 3HD1 ILE 646 3HD1 ILE 646 4.090 14.151 3.839 1137 H GLU 647 H GLU 647 1.079 16.638 7.541 1138 HA GLU 647 HA GLU 647 1.962 19.221 6.636 1139 1HB GLU 647 1HB GLU 647 -0.363 20.030 7.310 1140 2HB GLU 647 2HB GLU 647 -0.225 19.058 5.863 1141 1HG GLU 647 1HG GLU 647 -1.037 17.114 7.125 1142 2HG GLU 647 2HG GLU 647 -1.210 18.131 8.556 1143 H GLU 648 H GLU 648 1.750 20.995 8.061 1144 HA GLU 648 HA GLU 648 3.466 20.588 10.206 1145 1HB GLU 648 1HB GLU 648 1.776 22.955 9.473 1146 2HB GLU 648 2HB GLU 648 3.043 22.966 10.691 1147 1HG GLU 648 1HG GLU 648 3.394 22.362 7.776 1148 2HG GLU 648 2HG GLU 648 3.866 23.850 8.605 1149 H SER 649 H SER 649 3.165 21.292 12.384 1150 HA SER 649 HA SER 649 0.773 20.194 13.584 1151 1HB SER 649 1HB SER 649 3.198 19.792 14.377 1152 2HB SER 649 2HB SER 649 3.176 21.453 14.958 1153 HG SER 649 HG SER 649 2.348 20.641 16.679 1154 H TYR 650 H TYR 650 0.422 22.336 12.039 1155 HA TYR 650 HA TYR 650 0.033 24.836 13.454 1156 1HB TYR 650 1HB TYR 650 0.649 25.208 11.238 1157 2HB TYR 650 2HB TYR 650 -0.137 23.752 10.673 1158 HD1 TYR 650 HD1 TYR 650 -2.419 23.776 9.983 1159 HD2 TYR 650 HD2 TYR 650 -0.594 27.317 11.439 1160 HE1 TYR 650 HE1 TYR 650 -4.271 25.036 9.103 1161 HE2 TYR 650 HE2 TYR 650 -2.460 28.643 10.552 1162 HH TYR 650 HH TYR 650 -4.154 28.433 8.817 1163 H GLU 651 H GLU 651 -1.761 22.195 12.022 1164 HA GLU 651 HA GLU 651 -3.859 22.051 13.763 1165 1HB GLU 651 1HB GLU 651 -4.248 24.302 12.271 1166 2HB GLU 651 2HB GLU 651 -4.762 23.134 11.078 1167 1HG GLU 651 1HG GLU 651 -6.006 23.244 13.818 1168 2HG GLU 651 2HG GLU 651 -6.530 24.311 12.530 1169 H PHE 652 H PHE 652 -5.433 20.543 12.314 1170 HA PHE 652 HA PHE 652 -3.726 19.015 10.501 1171 1HB PHE 652 1HB PHE 652 -3.358 17.990 12.661 1172 2HB PHE 652 2HB PHE 652 -5.102 17.849 12.914 1173 HD1 PHE 652 HD1 PHE 652 -2.445 16.839 10.522 1174 HD2 PHE 652 HD2 PHE 652 -6.132 15.853 12.395 1175 HE1 PHE 652 HE1 PHE 652 -2.411 14.648 9.435 1176 HE2 PHE 652 HE2 PHE 652 -6.104 13.656 11.308 1177 HZ PHE 652 HZ PHE 652 -4.242 13.051 9.825 1178 H LYS 653 H LYS 653 -4.792 18.768 8.770 1179 HA LYS 653 HA LYS 653 -7.699 18.351 8.906 1180 1HB LYS 653 1HB LYS 653 -6.140 20.035 6.935 1181 2HB LYS 653 2HB LYS 653 -7.829 19.615 6.750 1182 1HG LYS 653 1HG LYS 653 -6.980 21.032 9.234 1183 2HG LYS 653 2HG LYS 653 -7.052 21.945 7.733 1184 1HD LYS 653 1HD LYS 653 -9.143 22.234 8.887 1185 2HD LYS 653 2HD LYS 653 -9.434 21.227 7.485 1186 1HE LYS 653 1HE LYS 653 -10.686 20.435 9.397 1187 2HE LYS 653 2HE LYS 653 -9.480 19.241 8.940 1188 1HZ LYS 653 1HZ LYS 653 -8.926 21.232 11.068 1189 2HZ LYS 653 2HZ LYS 653 -8.197 19.736 10.835 1190 3HZ LYS 653 3HZ LYS 653 -9.787 19.831 11.385 1191 H SER 654 H SER 654 -8.431 17.424 6.752 1192 HA SER 654 HA SER 654 -6.409 16.091 5.212 1193 1HB SER 654 1HB SER 654 -8.732 14.592 6.485 1194 2HB SER 654 2HB SER 654 -7.601 13.909 5.314 1195 HG SER 654 HG SER 654 -6.247 15.030 7.322 1196 H THR 655 H THR 655 -7.076 17.832 3.872 1197 HA THR 655 HA THR 655 -9.740 18.169 3.066 1198 HB THR 655 HB THR 655 -7.224 19.081 1.649 1199 HG1 THR 655 HG1 THR 655 -7.713 21.011 3.012 1200 1HG2 THR 655 1HG2 THR 655 -10.013 20.244 1.808 1201 2HG2 THR 655 2HG2 THR 655 -9.352 19.388 0.417 1202 3HG2 THR 655 3HG2 THR 655 -8.653 20.932 0.918 1203 H VAL 656 H VAL 656 -10.813 16.659 2.039 1204 HA VAL 656 HA VAL 656 -11.348 14.895 0.944 1205 HB VAL 656 HB VAL 656 -11.867 16.612 -0.641 1206 1HG1 VAL 656 1HG1 VAL 656 -9.781 17.651 -1.101 1207 2HG1 VAL 656 2HG1 VAL 656 -10.446 17.065 -2.635 1208 3HG1 VAL 656 3HG1 VAL 656 -9.158 16.175 -1.823 1209 1HG2 VAL 656 1HG2 VAL 656 -12.461 14.400 -1.226 1210 2HG2 VAL 656 2HG2 VAL 656 -10.885 14.114 -1.967 1211 3HG2 VAL 656 3HG2 VAL 656 -12.013 15.269 -2.701 1212 H ASP 657 H ASP 657 -10.575 13.182 1.582 1213 HA ASP 657 HA ASP 657 -8.041 12.138 0.472 1214 1HB ASP 657 1HB ASP 657 -7.762 10.869 2.528 1215 2HB ASP 657 2HB ASP 657 -8.021 12.557 2.944 Start of MODEL 4 1 1H HIS 501 1H HIS 501 -7.885 -16.113 -8.331 2 HA HIS 501 HA HIS 501 -5.244 -15.465 -8.458 3 1HB HIS 501 1HB HIS 501 -5.180 -13.280 -7.259 4 2HB HIS 501 2HB HIS 501 -5.836 -13.142 -8.881 5 HD1 HIS 501 HD1 HIS 501 -7.969 -11.789 -9.007 6 HD2 HIS 501 HD2 HIS 501 -7.318 -13.348 -5.222 7 HE1 HIS 501 HE1 HIS 501 -9.791 -10.862 -7.545 8 H ALA 502 H ALA 502 -4.531 -14.781 -6.017 9 HA ALA 502 HA ALA 502 -5.770 -16.839 -4.373 10 1HB ALA 502 1HB ALA 502 -3.268 -15.208 -3.972 11 2HB ALA 502 2HB ALA 502 -3.320 -16.858 -4.594 12 3HB ALA 502 3HB ALA 502 -3.798 -16.525 -2.925 13 H GLY 503 H GLY 503 -4.813 -13.422 -4.306 14 1HA GLY 503 1HA GLY 503 -7.116 -12.848 -2.945 15 2HA GLY 503 2HA GLY 503 -5.759 -12.774 -1.809 16 H ILE 504 H ILE 504 -6.655 -10.540 -1.686 17 HA ILE 504 HA ILE 504 -5.701 -8.755 -3.842 18 HB ILE 504 HB ILE 504 -8.112 -8.273 -2.065 19 1HG1 ILE 504 1HG1 ILE 504 -9.391 -8.440 -4.361 20 2HG1 ILE 504 2HG1 ILE 504 -8.036 -9.468 -4.809 21 1HG2 ILE 504 1HG2 ILE 504 -7.109 -6.239 -2.796 22 2HG2 ILE 504 2HG2 ILE 504 -8.666 -6.457 -3.598 23 3HG2 ILE 504 3HG2 ILE 504 -7.167 -6.776 -4.477 24 1HD1 ILE 504 1HD1 ILE 504 -8.537 -10.927 -2.901 25 2HD1 ILE 504 2HD1 ILE 504 -9.884 -10.796 -4.028 26 3HD1 ILE 504 3HD1 ILE 504 -9.925 -9.908 -2.502 27 H PHE 505 H PHE 505 -4.361 -7.147 -3.045 28 HA PHE 505 HA PHE 505 -4.666 -6.386 -0.232 29 1HB PHE 505 1HB PHE 505 -2.053 -6.806 -1.717 30 2HB PHE 505 2HB PHE 505 -2.170 -5.978 -0.169 31 HD1 PHE 505 HD1 PHE 505 -2.100 -9.183 -1.851 32 HD2 PHE 505 HD2 PHE 505 -2.917 -7.226 1.837 33 HE1 PHE 505 HE1 PHE 505 -1.965 -11.339 -0.671 34 HE2 PHE 505 HE2 PHE 505 -2.775 -9.377 3.012 35 HZ PHE 505 HZ PHE 505 -2.299 -11.435 1.757 36 H THR 506 H THR 506 -4.937 -4.230 0.062 37 HA THR 506 HA THR 506 -3.963 -2.359 -1.891 38 HB THR 506 HB THR 506 -6.120 -3.159 -2.871 39 HG1 THR 506 HG1 THR 506 -6.625 -0.507 -2.039 40 1HG2 THR 506 1HG2 THR 506 -7.342 -3.677 -0.818 41 2HG2 THR 506 2HG2 THR 506 -8.259 -2.527 -1.794 42 3HG2 THR 506 3HG2 THR 506 -7.362 -1.967 -0.388 43 H PHE 507 H PHE 507 -4.466 -0.097 -1.140 44 HA PHE 507 HA PHE 507 -4.543 0.053 1.774 45 1HB PHE 507 1HB PHE 507 -3.725 2.010 -0.374 46 2HB PHE 507 2HB PHE 507 -3.966 2.493 1.298 47 HD1 PHE 507 HD1 PHE 507 -2.458 1.799 3.019 48 HD2 PHE 507 HD2 PHE 507 -1.837 0.652 -1.021 49 HE1 PHE 507 HE1 PHE 507 -0.166 1.155 3.565 50 HE2 PHE 507 HE2 PHE 507 0.469 -0.002 -0.485 51 HZ PHE 507 HZ PHE 507 1.301 0.245 1.822 52 H GLU 508 H GLU 508 -5.899 1.632 2.744 53 HA GLU 508 HA GLU 508 -8.467 1.807 1.394 54 1HB GLU 508 1HB GLU 508 -7.946 1.070 3.876 55 2HB GLU 508 2HB GLU 508 -7.865 2.799 4.153 56 1HG GLU 508 1HG GLU 508 -10.141 3.049 3.330 57 2HG GLU 508 2HG GLU 508 -10.214 1.295 3.065 58 H GLU 509 H GLU 509 -5.828 3.633 2.700 59 HA GLU 509 HA GLU 509 -6.907 6.205 1.885 60 1HB GLU 509 1HB GLU 509 -4.439 5.364 3.355 61 2HB GLU 509 2HB GLU 509 -4.586 6.955 2.652 62 1HG GLU 509 1HG GLU 509 -5.023 7.100 4.888 63 2HG GLU 509 2HG GLU 509 -6.546 7.318 4.029 64 HA PRO 510 HA PRO 510 -4.117 5.904 -1.644 65 1HB PRO 510 1HB PRO 510 -5.526 8.243 -2.651 66 2HB PRO 510 2HB PRO 510 -5.474 6.625 -3.356 67 1HG PRO 510 1HG PRO 510 -7.730 7.721 -2.270 68 2HG PRO 510 2HG PRO 510 -7.419 5.979 -2.330 69 1HD PRO 510 1HD PRO 510 -7.083 7.887 -0.051 70 2HD PRO 510 2HD PRO 510 -7.702 6.219 -0.053 71 H VAL 511 H VAL 511 -5.153 8.307 0.567 72 HA VAL 511 HA VAL 511 -2.607 9.748 0.560 73 HB VAL 511 HB VAL 511 -5.319 11.144 0.358 74 1HG1 VAL 511 1HG1 VAL 511 -3.863 12.301 1.874 75 2HG1 VAL 511 2HG1 VAL 511 -4.089 13.222 0.387 76 3HG1 VAL 511 3HG1 VAL 511 -2.596 12.312 0.651 77 1HG2 VAL 511 1HG2 VAL 511 -4.489 10.308 -1.778 78 2HG2 VAL 511 2HG2 VAL 511 -3.007 11.268 -1.547 79 3HG2 VAL 511 3HG2 VAL 511 -4.571 12.073 -1.712 80 H THR 512 H THR 512 -2.035 10.312 2.585 81 HA THR 512 HA THR 512 -4.076 10.426 4.626 82 HB THR 512 HB THR 512 -2.957 8.128 4.712 83 HG1 THR 512 HG1 THR 512 -3.505 8.295 6.681 84 1HG2 THR 512 1HG2 THR 512 -0.668 7.978 5.624 85 2HG2 THR 512 2HG2 THR 512 -0.533 9.733 5.520 86 3HG2 THR 512 3HG2 THR 512 -0.706 8.777 4.045 87 H HIS 513 H HIS 513 -3.675 12.082 6.083 88 HA HIS 513 HA HIS 513 -1.284 13.691 5.526 89 1HB HIS 513 1HB HIS 513 -3.999 14.571 6.546 90 2HB HIS 513 2HB HIS 513 -2.578 15.613 6.488 91 HD1 HIS 513 HD1 HIS 513 -2.068 16.723 4.253 92 HD2 HIS 513 HD2 HIS 513 -4.991 13.793 4.003 93 HE1 HIS 513 HE1 HIS 513 -2.957 16.810 1.894 94 H VAL 514 H VAL 514 0.177 13.677 7.019 95 HA VAL 514 HA VAL 514 -0.671 12.766 9.679 96 HB VAL 514 HB VAL 514 1.526 11.809 10.008 97 1HG1 VAL 514 1HG1 VAL 514 -0.207 10.386 9.125 98 2HG1 VAL 514 2HG1 VAL 514 1.343 9.939 8.406 99 3HG1 VAL 514 3HG1 VAL 514 0.181 10.891 7.484 100 1HG2 VAL 514 1HG2 VAL 514 2.843 13.298 8.585 101 2HG2 VAL 514 2HG2 VAL 514 2.082 12.621 7.148 102 3HG2 VAL 514 3HG2 VAL 514 3.131 11.612 8.146 103 H SER 515 H SER 515 0.412 13.415 11.447 104 HA SER 515 HA SER 515 0.773 16.199 11.473 105 1HB SER 515 1HB SER 515 1.030 14.024 13.509 106 2HB SER 515 2HB SER 515 0.981 15.746 13.856 107 HG SER 515 HG SER 515 -1.078 15.386 12.389 108 H GLU 516 H GLU 516 2.651 17.189 12.259 109 HA GLU 516 HA GLU 516 5.145 15.968 11.450 110 1HB GLU 516 1HB GLU 516 4.399 18.340 11.048 111 2HB GLU 516 2HB GLU 516 4.606 18.624 12.764 112 1HG GLU 516 1HG GLU 516 6.501 19.461 11.715 113 2HG GLU 516 2HG GLU 516 7.021 17.894 12.400 114 H SER 517 H SER 517 3.208 16.378 14.268 115 HA SER 517 HA SER 517 5.428 16.175 16.131 116 1HB SER 517 1HB SER 517 2.474 16.607 16.591 117 2HB SER 517 2HB SER 517 3.744 16.718 17.814 118 HG SER 517 HG SER 517 3.744 18.715 17.235 119 H ILE 518 H ILE 518 4.318 13.997 14.350 120 HA ILE 518 HA ILE 518 3.349 12.116 16.381 121 HB ILE 518 HB ILE 518 2.039 12.555 14.249 122 1HG1 ILE 518 1HG1 ILE 518 2.896 9.709 14.730 123 2HG1 ILE 518 2HG1 ILE 518 1.698 10.586 15.686 124 1HG2 ILE 518 1HG2 ILE 518 2.750 11.308 12.239 125 2HG2 ILE 518 2HG2 ILE 518 4.302 10.983 13.016 126 3HG2 ILE 518 3HG2 ILE 518 3.824 12.643 12.648 127 1HD1 ILE 518 1HD1 ILE 518 0.545 9.257 14.113 128 2HD1 ILE 518 2HD1 ILE 518 1.594 9.867 12.816 129 3HD1 ILE 518 3HD1 ILE 518 0.455 10.971 13.603 130 H GLY 519 H GLY 519 4.410 10.097 16.531 131 1HA GLY 519 1HA GLY 519 7.179 10.195 15.645 132 2HA GLY 519 2HA GLY 519 6.483 9.055 16.800 133 H ILE 520 H ILE 520 4.759 7.650 15.803 134 HA ILE 520 HA ILE 520 5.793 6.605 13.270 135 HB ILE 520 HB ILE 520 4.703 5.134 15.678 136 1HG1 ILE 520 1HG1 ILE 520 7.051 5.817 15.946 137 2HG1 ILE 520 2HG1 ILE 520 6.897 4.069 15.850 138 1HG2 ILE 520 1HG2 ILE 520 3.895 4.057 13.677 139 2HG2 ILE 520 2HG2 ILE 520 5.119 3.044 14.446 140 3HG2 ILE 520 3HG2 ILE 520 5.528 3.992 13.016 141 1HD1 ILE 520 1HD1 ILE 520 8.826 4.834 14.610 142 2HD1 ILE 520 2HD1 ILE 520 7.813 5.911 13.651 143 3HD1 ILE 520 3HD1 ILE 520 7.625 4.164 13.502 144 H MET 521 H MET 521 4.320 6.678 11.761 145 HA MET 521 HA MET 521 1.473 6.712 12.521 146 1HB MET 521 1HB MET 521 0.998 7.242 10.146 147 2HB MET 521 2HB MET 521 2.126 8.409 10.805 148 1HG MET 521 1HG MET 521 3.937 7.408 9.658 149 2HG MET 521 2HG MET 521 2.950 6.024 9.173 150 1HE MET 521 1HE MET 521 3.556 7.872 5.777 151 2HE MET 521 2HE MET 521 3.718 6.348 6.644 152 3HE MET 521 3HE MET 521 4.707 7.741 7.101 153 H GLU 522 H GLU 522 0.179 5.073 12.179 154 HA GLU 522 HA GLU 522 1.391 2.720 10.935 155 1HB GLU 522 1HB GLU 522 -0.876 2.714 12.926 156 2HB GLU 522 2HB GLU 522 -0.000 1.341 12.293 157 1HG GLU 522 1HG GLU 522 0.949 1.459 14.313 158 2HG GLU 522 2HG GLU 522 2.028 2.562 13.460 159 H VAL 523 H VAL 523 0.601 2.657 8.955 160 HA VAL 523 HA VAL 523 -2.168 3.507 8.492 161 HB VAL 523 HB VAL 523 -0.073 2.752 6.451 162 1HG1 VAL 523 1HG1 VAL 523 -2.684 4.245 6.163 163 2HG1 VAL 523 2HG1 VAL 523 -2.351 2.611 5.596 164 3HG1 VAL 523 3HG1 VAL 523 -1.513 3.980 4.874 165 1HG2 VAL 523 1HG2 VAL 523 0.672 4.622 7.792 166 2HG2 VAL 523 2HG2 VAL 523 -0.829 5.499 7.448 167 3HG2 VAL 523 3HG2 VAL 523 0.308 5.128 6.148 168 H LYS 524 H LYS 524 -3.723 2.098 8.170 169 HA LYS 524 HA LYS 524 -3.268 -0.713 8.389 170 1HB LYS 524 1HB LYS 524 -5.744 0.863 7.746 171 2HB LYS 524 2HB LYS 524 -5.718 -0.876 7.976 172 1HG LYS 524 1HG LYS 524 -4.876 1.120 10.002 173 2HG LYS 524 2HG LYS 524 -6.523 0.460 9.945 174 1HD LYS 524 1HD LYS 524 -5.351 -1.818 10.152 175 2HD LYS 524 2HD LYS 524 -3.908 -0.898 10.571 176 1HE LYS 524 1HE LYS 524 -6.548 -0.848 12.033 177 2HE LYS 524 2HE LYS 524 -5.063 -1.639 12.562 178 1HZ LYS 524 1HZ LYS 524 -5.299 1.313 12.167 179 2HZ LYS 524 2HZ LYS 524 -4.039 0.469 12.933 180 3HZ LYS 524 3HZ LYS 524 -5.552 0.516 13.601 181 H VAL 525 H VAL 525 -3.903 -2.239 6.912 182 HA VAL 525 HA VAL 525 -4.041 -1.443 4.070 183 HB VAL 525 HB VAL 525 -2.706 -3.967 5.106 184 1HG1 VAL 525 1HG1 VAL 525 -3.536 -4.167 2.833 185 2HG1 VAL 525 2HG1 VAL 525 -1.772 -4.166 2.848 186 3HG1 VAL 525 3HG1 VAL 525 -2.651 -2.713 2.367 187 1HG2 VAL 525 1HG2 VAL 525 -0.545 -2.966 4.551 188 2HG2 VAL 525 2HG2 VAL 525 -1.380 -2.081 5.829 189 3HG2 VAL 525 3HG2 VAL 525 -1.355 -1.444 4.186 190 H LEU 526 H LEU 526 -5.567 -2.686 2.855 191 HA LEU 526 HA LEU 526 -7.499 -4.049 4.470 192 1HB LEU 526 1HB LEU 526 -7.349 -3.636 1.483 193 2HB LEU 526 2HB LEU 526 -8.610 -4.571 2.251 194 HG LEU 526 HG LEU 526 -9.497 -2.407 1.744 195 1HD1 LEU 526 1HD1 LEU 526 -10.145 -1.569 3.891 196 2HD1 LEU 526 2HD1 LEU 526 -8.894 -2.530 4.663 197 3HD1 LEU 526 3HD1 LEU 526 -10.238 -3.332 3.837 198 1HD2 LEU 526 1HD2 LEU 526 -8.565 -0.370 2.554 199 2HD2 LEU 526 2HD2 LEU 526 -7.383 -1.218 1.553 200 3HD2 LEU 526 3HD2 LEU 526 -7.236 -1.241 3.310 201 H ARG 527 H ARG 527 -7.970 -6.119 4.505 202 HA ARG 527 HA ARG 527 -5.712 -7.817 3.897 203 1HB ARG 527 1HB ARG 527 -6.761 -7.749 6.162 204 2HB ARG 527 2HB ARG 527 -8.230 -8.383 5.453 205 1HG ARG 527 1HG ARG 527 -6.991 -10.424 4.804 206 2HG ARG 527 2HG ARG 527 -5.569 -9.779 5.635 207 1HD ARG 527 1HD ARG 527 -6.899 -9.604 7.691 208 2HD ARG 527 2HD ARG 527 -8.248 -10.351 6.867 209 HE ARG 527 HE ARG 527 -5.671 -11.719 7.307 210 1HH1 ARG 527 1HH1 ARG 527 -9.221 -11.844 7.157 211 2HH1 ARG 527 2HH1 ARG 527 -9.329 -13.397 7.823 212 1HH2 ARG 527 1HH2 ARG 527 -5.818 -13.844 8.164 213 2HH2 ARG 527 2HH2 ARG 527 -7.344 -14.572 8.414 214 H THR 528 H THR 528 -5.889 -9.586 2.681 215 HA THR 528 HA THR 528 -7.506 -9.642 0.466 216 HB THR 528 HB THR 528 -5.390 -10.714 0.431 217 HG1 THR 528 HG1 THR 528 -6.326 -13.075 0.162 218 1HG2 THR 528 1HG2 THR 528 -6.406 -12.567 2.593 219 2HG2 THR 528 2HG2 THR 528 -5.176 -11.319 2.796 220 3HG2 THR 528 3HG2 THR 528 -4.856 -12.716 1.768 221 H SER 529 H SER 529 -9.275 -10.863 -0.132 222 HA SER 529 HA SER 529 -11.077 -11.730 1.927 223 1HB SER 529 1HB SER 529 -11.748 -10.536 -0.229 224 2HB SER 529 2HB SER 529 -11.326 -12.008 -1.090 225 HG SER 529 HG SER 529 -13.609 -11.442 -0.159 226 H GLY 530 H GLY 530 -8.571 -13.057 0.075 227 1HA GLY 530 1HA GLY 530 -9.364 -15.785 0.826 228 2HA GLY 530 2HA GLY 530 -8.422 -15.417 -0.628 229 H ALA 531 H ALA 531 -8.387 -15.833 2.773 230 HA ALA 531 HA ALA 531 -5.576 -15.060 2.866 231 1HB ALA 531 1HB ALA 531 -7.061 -13.952 4.491 232 2HB ALA 531 2HB ALA 531 -5.821 -14.924 5.275 233 3HB ALA 531 3HB ALA 531 -7.476 -15.528 5.168 234 H ARG 532 H ARG 532 -4.602 -16.841 2.050 235 HA ARG 532 HA ARG 532 -4.989 -19.289 3.561 236 1HB ARG 532 1HB ARG 532 -4.320 -18.888 0.661 237 2HB ARG 532 2HB ARG 532 -4.068 -20.419 1.476 238 1HG ARG 532 1HG ARG 532 -6.702 -18.996 1.104 239 2HG ARG 532 2HG ARG 532 -6.155 -20.452 0.265 240 1HD ARG 532 1HD ARG 532 -5.984 -21.576 2.476 241 2HD ARG 532 2HD ARG 532 -6.710 -20.154 3.211 242 HE ARG 532 HE ARG 532 -8.238 -21.263 1.075 243 1HH1 ARG 532 1HH1 ARG 532 -7.622 -21.425 4.576 244 2HH1 ARG 532 2HH1 ARG 532 -9.133 -22.119 4.940 245 1HH2 ARG 532 1HH2 ARG 532 -10.296 -22.251 1.606 246 2HH2 ARG 532 2HH2 ARG 532 -10.686 -22.586 3.233 247 H GLY 533 H GLY 533 -3.456 -19.599 4.912 248 1HA GLY 533 1HA GLY 533 -1.352 -20.270 5.549 249 2HA GLY 533 2HA GLY 533 -0.781 -19.886 3.934 250 H ASN 534 H ASN 534 0.681 -18.412 3.909 251 HA ASN 534 HA ASN 534 0.521 -16.092 5.647 252 1HB ASN 534 1HB ASN 534 1.978 -17.685 6.762 253 2HB ASN 534 2HB ASN 534 2.894 -17.932 5.293 254 1HD2 ASN 534 1HD2 ASN 534 1.843 -14.726 6.432 255 2HD2 ASN 534 2HD2 ASN 534 3.456 -14.210 6.756 256 H VAL 535 H VAL 535 0.876 -14.328 4.470 257 HA VAL 535 HA VAL 535 2.245 -14.658 1.921 258 HB VAL 535 HB VAL 535 -0.148 -12.854 2.435 259 1HG1 VAL 535 1HG1 VAL 535 1.451 -11.882 0.812 260 2HG1 VAL 535 2HG1 VAL 535 -0.040 -12.386 0.011 261 3HG1 VAL 535 3HG1 VAL 535 1.396 -13.394 -0.094 262 1HG2 VAL 535 1HG2 VAL 535 0.201 -15.387 0.909 263 2HG2 VAL 535 2HG2 VAL 535 -1.214 -14.343 0.716 264 3HG2 VAL 535 3HG2 VAL 535 -0.882 -15.125 2.277 265 H ILE 536 H ILE 536 3.901 -13.476 1.732 266 HA ILE 536 HA ILE 536 4.396 -11.338 3.633 267 HB ILE 536 HB ILE 536 6.193 -12.812 1.700 268 1HG1 ILE 536 1HG1 ILE 536 5.674 -14.047 3.723 269 2HG1 ILE 536 2HG1 ILE 536 7.359 -13.546 3.747 270 1HG2 ILE 536 1HG2 ILE 536 6.931 -10.519 1.701 271 2HG2 ILE 536 2HG2 ILE 536 8.076 -11.496 2.631 272 3HG2 ILE 536 3HG2 ILE 536 6.874 -10.499 3.459 273 1HD1 ILE 536 1HD1 ILE 536 6.376 -13.265 5.943 274 2HD1 ILE 536 2HD1 ILE 536 5.083 -12.276 5.263 275 3HD1 ILE 536 3HD1 ILE 536 6.735 -11.679 5.251 276 H VAL 537 H VAL 537 3.998 -9.374 3.109 277 HA VAL 537 HA VAL 537 3.894 -8.677 0.265 278 HB VAL 537 HB VAL 537 2.530 -7.182 2.514 279 1HG1 VAL 537 1HG1 VAL 537 1.221 -6.127 0.726 280 2HG1 VAL 537 2HG1 VAL 537 2.162 -7.017 -0.469 281 3HG1 VAL 537 3HG1 VAL 537 2.949 -5.820 0.555 282 1HG2 VAL 537 1HG2 VAL 537 1.536 -9.395 2.398 283 2HG2 VAL 537 2HG2 VAL 537 1.324 -9.244 0.660 284 3HG2 VAL 537 3HG2 VAL 537 0.405 -8.207 1.752 285 HA PRO 538 HA PRO 538 7.454 -6.210 1.721 286 1HB PRO 538 1HB PRO 538 8.404 -5.642 -0.761 287 2HB PRO 538 2HB PRO 538 8.746 -7.169 0.060 288 1HG PRO 538 1HG PRO 538 6.733 -6.567 -2.058 289 2HG PRO 538 2HG PRO 538 7.773 -7.990 -1.875 290 1HD PRO 538 1HD PRO 538 5.152 -7.959 -1.183 291 2HD PRO 538 2HD PRO 538 6.351 -8.981 -0.366 292 H TYR 539 H TYR 539 7.858 -3.965 1.658 293 HA TYR 539 HA TYR 539 6.194 -2.275 -0.002 294 1HB TYR 539 1HB TYR 539 5.204 -1.034 1.847 295 2HB TYR 539 2HB TYR 539 4.757 -2.726 1.984 296 HD1 TYR 539 HD1 TYR 539 5.649 -4.095 3.804 297 HD2 TYR 539 HD2 TYR 539 6.633 0.027 3.509 298 HE1 TYR 539 HE1 TYR 539 6.437 -4.123 6.128 299 HE2 TYR 539 HE2 TYR 539 7.440 0.012 5.830 300 HH TYR 539 HH TYR 539 8.005 -2.837 7.549 301 H LYS 540 H LYS 540 6.872 -0.015 0.158 302 HA LYS 540 HA LYS 540 9.239 0.567 1.683 303 1HB LYS 540 1HB LYS 540 10.611 1.226 -0.205 304 2HB LYS 540 2HB LYS 540 10.220 -0.483 -0.302 305 1HG LYS 540 1HG LYS 540 8.609 -0.083 -2.024 306 2HG LYS 540 2HG LYS 540 8.770 1.664 -1.827 307 1HD LYS 540 1HD LYS 540 11.134 1.479 -2.482 308 2HD LYS 540 2HD LYS 540 10.892 -0.245 -2.762 309 1HE LYS 540 1HE LYS 540 9.274 0.206 -4.472 310 2HE LYS 540 2HE LYS 540 9.350 1.936 -4.134 311 1HZ LYS 540 1HZ LYS 540 11.599 0.288 -5.181 312 2HZ LYS 540 2HZ LYS 540 11.657 1.942 -4.864 313 3HZ LYS 540 3HZ LYS 540 10.660 1.357 -6.078 314 H THR 541 H THR 541 9.700 2.778 1.769 315 HA THR 541 HA THR 541 7.527 4.550 1.030 316 HB THR 541 HB THR 541 9.010 6.215 2.239 317 HG1 THR 541 HG1 THR 541 10.901 4.861 1.968 318 1HG2 THR 541 1HG2 THR 541 8.487 5.373 4.493 319 2HG2 THR 541 2HG2 THR 541 8.140 3.788 3.811 320 3HG2 THR 541 3HG2 THR 541 7.122 5.170 3.394 321 H ILE 542 H ILE 542 7.650 5.435 -0.968 322 HA ILE 542 HA ILE 542 10.207 5.824 -2.275 323 HB ILE 542 HB ILE 542 7.413 6.693 -3.132 324 1HG1 ILE 542 1HG1 ILE 542 7.753 4.916 -4.981 325 2HG1 ILE 542 2HG1 ILE 542 9.048 4.292 -3.974 326 1HG2 ILE 542 1HG2 ILE 542 9.970 6.777 -4.708 327 2HG2 ILE 542 2HG2 ILE 542 9.028 8.147 -4.109 328 3HG2 ILE 542 3HG2 ILE 542 8.360 7.100 -5.361 329 1HD1 ILE 542 1HD1 ILE 542 6.970 3.039 -3.690 330 2HD1 ILE 542 2HD1 ILE 542 6.158 4.525 -3.170 331 3HD1 ILE 542 3HD1 ILE 542 7.453 3.843 -2.194 332 H GLU 543 H GLU 543 11.356 7.661 -1.972 333 HA GLU 543 HA GLU 543 10.764 9.484 0.013 334 1HB GLU 543 1HB GLU 543 12.587 9.912 -2.343 335 2HB GLU 543 2HB GLU 543 12.554 10.911 -0.902 336 1HG GLU 543 1HG GLU 543 13.186 8.921 0.432 337 2HG GLU 543 2HG GLU 543 13.330 8.010 -1.071 338 H GLY 544 H GLY 544 10.123 9.822 -3.423 339 1HA GLY 544 1HA GLY 544 8.582 11.148 -4.485 340 2HA GLY 544 2HA GLY 544 8.054 11.738 -2.910 341 H THR 545 H THR 545 9.123 13.403 -1.967 342 HA THR 545 HA THR 545 11.228 14.727 -3.460 343 HB THR 545 HB THR 545 9.146 15.732 -4.324 344 HG1 THR 545 HG1 THR 545 10.776 17.156 -4.279 345 1HG2 THR 545 1HG2 THR 545 7.664 17.056 -2.883 346 2HG2 THR 545 2HG2 THR 545 8.605 16.564 -1.476 347 3HG2 THR 545 3HG2 THR 545 7.694 15.362 -2.390 348 H ALA 546 H ALA 546 10.543 13.293 -0.845 349 HA ALA 546 HA ALA 546 11.483 15.222 1.124 350 1HB ALA 546 1HB ALA 546 10.874 13.519 2.747 351 2HB ALA 546 2HB ALA 546 10.598 12.362 1.449 352 3HB ALA 546 3HB ALA 546 9.533 13.752 1.615 353 H ARG 547 H ARG 547 12.905 13.480 2.816 354 HA ARG 547 HA ARG 547 15.088 12.440 1.176 355 1HB ARG 547 1HB ARG 547 15.376 14.863 2.160 356 2HB ARG 547 2HB ARG 547 15.547 14.027 3.688 357 1HG ARG 547 1HG ARG 547 17.308 13.796 1.280 358 2HG ARG 547 2HG ARG 547 17.724 14.553 2.813 359 1HD ARG 547 1HD ARG 547 17.283 12.170 3.748 360 2HD ARG 547 2HD ARG 547 17.439 11.670 2.092 361 HE ARG 547 HE ARG 547 19.558 13.080 3.581 362 1HH1 ARG 547 1HH1 ARG 547 18.670 10.886 0.966 363 2HH1 ARG 547 2HH1 ARG 547 20.212 10.198 0.806 364 1HH2 ARG 547 1HH2 ARG 547 21.682 12.125 3.380 365 2HH2 ARG 547 2HH2 ARG 547 21.981 10.942 2.197 366 H GLY 548 H GLY 548 15.409 10.445 1.855 367 1HA GLY 548 1HA GLY 548 14.144 9.412 4.244 368 2HA GLY 548 2HA GLY 548 15.115 8.497 3.102 369 H GLY 549 H GLY 549 16.133 7.421 4.841 370 1HA GLY 549 1HA GLY 549 17.901 7.019 6.205 371 2HA GLY 549 2HA GLY 549 18.615 8.479 5.559 372 H GLY 550 H GLY 550 15.622 9.122 7.094 373 1HA GLY 550 1HA GLY 550 15.136 9.749 9.252 374 2HA GLY 550 2HA GLY 550 16.801 9.412 9.704 375 H GLU 551 H GLU 551 16.567 11.295 6.891 376 HA GLU 551 HA GLU 551 17.531 13.613 8.332 377 1HB GLU 551 1HB GLU 551 18.634 12.932 6.221 378 2HB GLU 551 2HB GLU 551 17.105 13.132 5.388 379 1HG GLU 551 1HG GLU 551 17.213 15.384 5.378 380 2HG GLU 551 2HG GLU 551 18.385 15.514 6.729 381 H ASP 552 H ASP 552 14.981 13.121 5.896 382 HA ASP 552 HA ASP 552 13.458 15.263 7.213 383 1HB ASP 552 1HB ASP 552 13.920 15.623 4.797 384 2HB ASP 552 2HB ASP 552 13.141 14.089 4.437 385 H PHE 553 H PHE 553 13.332 11.964 6.005 386 HA PHE 553 HA PHE 553 11.458 11.429 8.093 387 1HB PHE 553 1HB PHE 553 9.813 10.337 6.794 388 2HB PHE 553 2HB PHE 553 10.122 11.852 5.972 389 HD1 PHE 553 HD1 PHE 553 11.693 11.756 3.933 390 HD2 PHE 553 HD2 PHE 553 9.902 8.355 5.696 391 HE1 PHE 553 HE1 PHE 553 12.003 10.514 1.826 392 HE2 PHE 553 HE2 PHE 553 10.206 7.094 3.613 393 HZ PHE 553 HZ PHE 553 11.257 8.169 1.668 394 H GLU 554 H GLU 554 11.292 9.016 8.407 395 HA GLU 554 HA GLU 554 13.913 7.847 7.928 396 1HB GLU 554 1HB GLU 554 12.558 8.022 10.181 397 2HB GLU 554 2HB GLU 554 11.662 6.668 9.550 398 1HG GLU 554 1HG GLU 554 14.617 6.750 10.128 399 2HG GLU 554 2HG GLU 554 13.386 5.957 11.097 400 H ASP 555 H ASP 555 14.029 6.660 6.080 401 HA ASP 555 HA ASP 555 11.563 5.897 4.793 402 1HB ASP 555 1HB ASP 555 12.834 5.401 2.802 403 2HB ASP 555 2HB ASP 555 13.398 6.933 3.440 404 H THR 556 H THR 556 10.712 4.017 4.758 405 HA THR 556 HA THR 556 12.265 1.880 5.954 406 HB THR 556 HB THR 556 10.686 2.745 7.613 407 HG1 THR 556 HG1 THR 556 9.521 0.755 7.996 408 1HG2 THR 556 1HG2 THR 556 8.973 3.644 6.157 409 2HG2 THR 556 2HG2 THR 556 8.265 2.506 7.306 410 3HG2 THR 556 3HG2 THR 556 8.532 2.017 5.629 411 H CYS 557 H CYS 557 12.059 -0.069 5.154 412 HA CYS 557 HA CYS 557 10.113 -0.690 3.149 413 1HB CYS 557 1HB CYS 557 11.996 -1.661 1.717 414 2HB CYS 557 2HB CYS 557 11.864 0.091 1.709 415 HG CYS 557 HG CYS 557 13.891 -0.586 4.112 416 H GLY 558 H GLY 558 9.549 -2.820 3.332 417 1HA GLY 558 1HA GLY 558 11.171 -4.652 4.730 418 2HA GLY 558 2HA GLY 558 9.913 -3.977 5.762 419 H GLU 559 H GLU 559 8.913 -5.948 5.933 420 HA GLU 559 HA GLU 559 7.375 -6.778 3.596 421 1HB GLU 559 1HB GLU 559 9.141 -8.461 5.326 422 2HB GLU 559 2HB GLU 559 7.945 -9.142 4.226 423 1HG GLU 559 1HG GLU 559 9.170 -8.329 2.334 424 2HG GLU 559 2HG GLU 559 10.223 -7.364 3.365 425 H LEU 560 H LEU 560 5.314 -6.943 4.203 426 HA LEU 560 HA LEU 560 4.634 -7.081 7.024 427 1HB LEU 560 1HB LEU 560 2.942 -6.662 4.566 428 2HB LEU 560 2HB LEU 560 2.301 -6.750 6.194 429 HG LEU 560 HG LEU 560 4.242 -4.661 5.215 430 1HD1 LEU 560 1HD1 LEU 560 2.364 -3.142 5.351 431 2HD1 LEU 560 2HD1 LEU 560 1.285 -4.485 5.746 432 3HD1 LEU 560 3HD1 LEU 560 2.074 -4.413 4.162 433 1HD2 LEU 560 1HD2 LEU 560 2.741 -4.938 7.819 434 2HD2 LEU 560 2HD2 LEU 560 3.673 -3.530 7.325 435 3HD2 LEU 560 3HD2 LEU 560 4.487 -5.069 7.593 436 H GLU 561 H GLU 561 3.721 -8.746 7.978 437 HA GLU 561 HA GLU 561 3.623 -11.221 6.457 438 1HB GLU 561 1HB GLU 561 5.218 -11.128 8.306 439 2HB GLU 561 2HB GLU 561 3.937 -10.692 9.416 440 1HG GLU 561 1HG GLU 561 2.940 -12.888 9.174 441 2HG GLU 561 2HG GLU 561 4.132 -13.290 7.934 442 H PHE 562 H PHE 562 1.598 -11.379 5.662 443 HA PHE 562 HA PHE 562 -0.691 -11.141 7.491 444 1HB PHE 562 1HB PHE 562 -0.438 -11.270 4.507 445 2HB PHE 562 2HB PHE 562 -1.945 -11.717 5.283 446 HD1 PHE 562 HD1 PHE 562 0.334 -8.989 4.480 447 HD2 PHE 562 HD2 PHE 562 -3.333 -10.086 6.325 448 HE1 PHE 562 HE1 PHE 562 -0.392 -6.631 4.422 449 HE2 PHE 562 HE2 PHE 562 -4.072 -7.735 6.280 450 HZ PHE 562 HZ PHE 562 -2.604 -6.008 5.324 451 H GLN 563 H GLN 563 -2.029 -12.923 7.885 452 HA GLN 563 HA GLN 563 -1.149 -15.459 6.746 453 1HB GLN 563 1HB GLN 563 -1.580 -15.065 9.721 454 2HB GLN 563 2HB GLN 563 -1.142 -16.563 8.917 455 1HG GLN 563 1HG GLN 563 0.983 -15.518 8.218 456 2HG GLN 563 2HG GLN 563 0.522 -14.078 9.115 457 1HE2 GLN 563 1HE2 GLN 563 1.597 -17.364 9.342 458 2HE2 GLN 563 2HE2 GLN 563 1.979 -17.340 11.015 459 H ASN 564 H ASN 564 -2.720 -17.192 7.360 460 HA ASN 564 HA ASN 564 -5.344 -16.433 6.716 461 1HB ASN 564 1HB ASN 564 -5.960 -18.818 7.371 462 2HB ASN 564 2HB ASN 564 -4.756 -18.652 6.104 463 1HD2 ASN 564 1HD2 ASN 564 -4.120 -20.816 6.555 464 2HD2 ASN 564 2HD2 ASN 564 -3.110 -21.164 7.900 465 H ASP 565 H ASP 565 -3.756 -16.828 9.723 466 HA ASP 565 HA ASP 565 -6.260 -16.369 11.196 467 1HB ASP 565 1HB ASP 565 -4.974 -16.858 13.236 468 2HB ASP 565 2HB ASP 565 -4.824 -18.154 12.056 469 H GLU 566 H GLU 566 -3.420 -14.702 10.221 470 HA GLU 566 HA GLU 566 -3.689 -12.584 12.185 471 1HB GLU 566 1HB GLU 566 -1.439 -13.227 11.454 472 2HB GLU 566 2HB GLU 566 -1.863 -12.850 9.790 473 1HG GLU 566 1HG GLU 566 -0.501 -11.091 10.724 474 2HG GLU 566 2HG GLU 566 -2.122 -10.492 10.390 475 H ILE 567 H ILE 567 -4.786 -10.685 11.884 476 HA ILE 567 HA ILE 567 -5.763 -10.257 9.195 477 HB ILE 567 HB ILE 567 -7.828 -9.383 9.960 478 1HG1 ILE 567 1HG1 ILE 567 -8.212 -9.694 12.649 479 2HG1 ILE 567 2HG1 ILE 567 -6.522 -9.165 12.589 480 1HG2 ILE 567 1HG2 ILE 567 -8.876 -11.249 11.149 481 2HG2 ILE 567 2HG2 ILE 567 -7.264 -11.904 11.473 482 3HG2 ILE 567 3HG2 ILE 567 -7.838 -11.753 9.815 483 1HD1 ILE 567 1HD1 ILE 567 -7.209 -7.191 11.340 484 2HD1 ILE 567 2HD1 ILE 567 -8.004 -7.295 12.907 485 3HD1 ILE 567 3HD1 ILE 567 -8.891 -7.713 11.442 486 H VAL 568 H VAL 568 -5.606 -8.350 8.416 487 HA VAL 568 HA VAL 568 -4.848 -6.320 7.917 488 HB VAL 568 HB VAL 568 -6.631 -5.903 9.761 489 1HG1 VAL 568 1HG1 VAL 568 -5.915 -4.537 11.658 490 2HG1 VAL 568 2HG1 VAL 568 -4.235 -4.894 11.248 491 3HG1 VAL 568 3HG1 VAL 568 -5.330 -6.204 11.701 492 1HG2 VAL 568 1HG2 VAL 568 -6.399 -3.469 9.505 493 2HG2 VAL 568 2HG2 VAL 568 -6.119 -4.314 7.980 494 3HG2 VAL 568 3HG2 VAL 568 -4.761 -3.692 8.898 495 H LYS 569 H LYS 569 -3.139 -4.786 8.021 496 HA LYS 569 HA LYS 569 -1.078 -5.282 9.950 497 1HB LYS 569 1HB LYS 569 -0.674 -5.487 6.968 498 2HB LYS 569 2HB LYS 569 0.640 -5.052 8.037 499 1HG LYS 569 1HG LYS 569 -0.890 -7.617 8.413 500 2HG LYS 569 2HG LYS 569 0.414 -7.502 7.241 501 1HD LYS 569 1HD LYS 569 1.432 -8.378 9.176 502 2HD LYS 569 2HD LYS 569 1.859 -6.681 9.166 503 1HE LYS 569 1HE LYS 569 0.113 -6.245 10.857 504 2HE LYS 569 2HE LYS 569 -0.322 -7.960 10.842 505 1HZ LYS 569 1HZ LYS 569 1.057 -7.371 12.688 506 2HZ LYS 569 2HZ LYS 569 2.226 -6.727 11.672 507 3HZ LYS 569 3HZ LYS 569 1.923 -8.405 11.668 508 H THR 570 H THR 570 0.606 -3.584 9.787 509 HA THR 570 HA THR 570 -0.495 -1.083 8.781 510 HB THR 570 HB THR 570 0.531 -0.066 10.933 511 HG1 THR 570 HG1 THR 570 -0.066 -1.982 12.571 512 1HG2 THR 570 1HG2 THR 570 -1.877 -0.058 10.455 513 2HG2 THR 570 2HG2 THR 570 -1.572 -0.350 12.166 514 3HG2 THR 570 3HG2 THR 570 -2.015 -1.691 11.109 515 H ILE 571 H ILE 571 0.983 0.286 7.967 516 HA ILE 571 HA ILE 571 3.763 -0.603 7.954 517 HB ILE 571 HB ILE 571 2.425 1.666 6.414 518 1HG1 ILE 571 1HG1 ILE 571 3.134 0.328 4.384 519 2HG1 ILE 571 2HG1 ILE 571 3.511 -0.997 5.472 520 1HG2 ILE 571 1HG2 ILE 571 4.708 2.240 7.006 521 2HG2 ILE 571 2HG2 ILE 571 4.516 2.021 5.271 522 3HG2 ILE 571 3HG2 ILE 571 5.288 0.761 6.236 523 1HD1 ILE 571 1HD1 ILE 571 0.817 0.264 5.098 524 2HD1 ILE 571 2HD1 ILE 571 1.194 -1.113 6.134 525 3HD1 ILE 571 3HD1 ILE 571 1.359 -1.253 4.382 526 H SER 572 H SER 572 5.077 0.207 9.445 527 HA SER 572 HA SER 572 4.260 2.578 10.878 528 1HB SER 572 1HB SER 572 6.191 1.783 12.371 529 2HB SER 572 2HB SER 572 4.741 0.778 12.315 530 HG SER 572 HG SER 572 6.375 -0.581 12.068 531 H VAL 573 H VAL 573 5.164 4.472 10.364 532 HA VAL 573 HA VAL 573 7.890 4.497 9.242 533 HB VAL 573 HB VAL 573 5.645 6.335 8.354 534 1HG1 VAL 573 1HG1 VAL 573 8.465 6.083 7.308 535 2HG1 VAL 573 2HG1 VAL 573 7.817 7.418 8.258 536 3HG1 VAL 573 3HG1 VAL 573 7.209 7.120 6.630 537 1HG2 VAL 573 1HG2 VAL 573 6.917 4.047 6.859 538 2HG2 VAL 573 2HG2 VAL 573 5.787 5.210 6.163 539 3HG2 VAL 573 3HG2 VAL 573 5.259 4.131 7.457 540 H LYS 574 H LYS 574 9.213 5.925 10.192 541 HA LYS 574 HA LYS 574 8.160 7.550 12.339 542 1HB LYS 574 1HB LYS 574 10.127 6.220 12.833 543 2HB LYS 574 2HB LYS 574 10.994 6.915 11.480 544 1HG LYS 574 1HG LYS 574 11.779 7.858 13.582 545 2HG LYS 574 2HG LYS 574 11.002 9.094 12.594 546 1HD LYS 574 1HD LYS 574 8.969 8.873 13.900 547 2HD LYS 574 2HD LYS 574 9.721 7.617 14.889 548 1HE LYS 574 1HE LYS 574 10.651 10.478 14.651 549 2HE LYS 574 2HE LYS 574 9.706 9.827 15.986 550 1HZ LYS 574 1HZ LYS 574 12.026 9.948 16.529 551 2HZ LYS 574 2HZ LYS 574 12.459 8.999 15.229 552 3HZ LYS 574 3HZ LYS 574 11.550 8.335 16.500 553 H VAL 575 H VAL 575 7.613 9.528 12.041 554 HA VAL 575 HA VAL 575 8.491 11.035 9.727 555 HB VAL 575 HB VAL 575 6.656 11.808 12.034 556 1HG1 VAL 575 1HG1 VAL 575 7.701 13.810 11.058 557 2HG1 VAL 575 2HG1 VAL 575 5.991 13.751 10.655 558 3HG1 VAL 575 3HG1 VAL 575 7.195 13.299 9.451 559 1HG2 VAL 575 1HG2 VAL 575 5.716 10.056 10.631 560 2HG2 VAL 575 2HG2 VAL 575 6.020 11.022 9.188 561 3HG2 VAL 575 3HG2 VAL 575 4.845 11.569 10.383 562 H ILE 576 H ILE 576 10.172 12.394 9.776 563 HA ILE 576 HA ILE 576 11.507 12.800 12.335 564 HB ILE 576 HB ILE 576 12.526 13.422 9.537 565 1HG1 ILE 576 1HG1 ILE 576 12.067 11.004 9.801 566 2HG1 ILE 576 2HG1 ILE 576 13.784 11.347 9.587 567 1HG2 ILE 576 1HG2 ILE 576 13.648 14.627 11.353 568 2HG2 ILE 576 2HG2 ILE 576 14.730 13.477 10.562 569 3HG2 ILE 576 3HG2 ILE 576 14.031 13.090 12.133 570 1HD1 ILE 576 1HD1 ILE 576 12.337 10.690 12.124 571 2HD1 ILE 576 2HD1 ILE 576 14.078 11.018 11.963 572 3HD1 ILE 576 3HD1 ILE 576 13.351 9.611 11.146 573 H ASP 577 H ASP 577 12.014 14.894 12.934 574 HA ASP 577 HA ASP 577 10.015 16.842 12.412 575 1HB ASP 577 1HB ASP 577 12.711 17.183 13.744 576 2HB ASP 577 2HB ASP 577 11.443 18.398 13.714 577 H ASP 578 H ASP 578 9.840 18.176 10.751 578 HA ASP 578 HA ASP 578 11.639 18.424 8.725 579 1HB ASP 578 1HB ASP 578 9.328 20.069 9.472 580 2HB ASP 578 2HB ASP 578 10.515 20.840 8.427 581 H GLU 579 H GLU 579 13.415 18.981 8.563 582 HA GLU 579 HA GLU 579 14.926 20.736 10.194 583 1HB GLU 579 1HB GLU 579 16.130 20.296 7.612 584 2HB GLU 579 2HB GLU 579 16.643 19.697 9.172 585 1HG GLU 579 1HG GLU 579 16.406 17.799 7.725 586 2HG GLU 579 2HG GLU 579 15.053 17.765 8.847 587 H GLU 580 H GLU 580 13.314 20.897 7.099 588 HA GLU 580 HA GLU 580 13.889 23.731 6.951 589 1HB GLU 580 1HB GLU 580 13.733 23.236 4.361 590 2HB GLU 580 2HB GLU 580 15.226 23.075 5.267 591 1HG GLU 580 1HG GLU 580 14.974 21.231 3.727 592 2HG GLU 580 2HG GLU 580 14.918 20.655 5.378 593 H TYR 581 H TYR 581 12.514 24.603 5.044 594 HA TYR 581 HA TYR 581 9.882 24.990 5.712 595 1HB TYR 581 1HB TYR 581 9.641 25.943 3.477 596 2HB TYR 581 2HB TYR 581 11.234 26.360 4.100 597 HD1 TYR 581 HD1 TYR 581 13.258 25.177 3.202 598 HD2 TYR 581 HD2 TYR 581 9.391 24.570 1.547 599 HE1 TYR 581 HE1 TYR 581 14.266 24.125 1.228 600 HE2 TYR 581 HE2 TYR 581 10.377 23.526 -0.416 601 HH TYR 581 HH TYR 581 12.453 23.407 -1.579 602 H GLU 582 H GLU 582 7.907 24.162 4.731 603 HA GLU 582 HA GLU 582 8.337 21.713 3.285 604 1HB GLU 582 1HB GLU 582 7.934 20.981 5.546 605 2HB GLU 582 2HB GLU 582 6.459 21.928 5.627 606 1HG GLU 582 1HG GLU 582 5.337 20.491 4.118 607 2HG GLU 582 2HG GLU 582 6.838 19.706 3.638 608 H LYS 583 H LYS 583 7.597 21.869 1.474 609 HA LYS 583 HA LYS 583 5.246 23.435 0.744 610 1HB LYS 583 1HB LYS 583 7.195 21.698 -0.816 611 2HB LYS 583 2HB LYS 583 5.884 22.598 -1.545 612 1HG LYS 583 1HG LYS 583 8.166 23.834 -0.034 613 2HG LYS 583 2HG LYS 583 8.102 23.661 -1.790 614 1HD LYS 583 1HD LYS 583 6.051 25.016 -1.823 615 2HD LYS 583 2HD LYS 583 6.156 25.199 -0.074 616 1HE LYS 583 1HE LYS 583 8.282 26.334 -0.301 617 2HE LYS 583 2HE LYS 583 8.229 26.131 -2.054 618 1HZ LYS 583 1HZ LYS 583 6.272 27.665 -0.436 619 2HZ LYS 583 2HZ LYS 583 6.258 27.532 -2.114 620 3HZ LYS 583 3HZ LYS 583 7.520 28.338 -1.333 621 H ASN 584 H ASN 584 4.297 21.677 -1.236 622 HA ASN 584 HA ASN 584 3.045 19.610 0.298 623 1HB ASN 584 1HB ASN 584 1.956 20.690 -1.699 624 2HB ASN 584 2HB ASN 584 3.126 19.871 -2.732 625 1HD2 ASN 584 1HD2 ASN 584 0.279 19.595 -0.861 626 2HD2 ASN 584 2HD2 ASN 584 -0.129 17.970 -1.309 627 H LYS 585 H LYS 585 4.971 18.726 1.112 628 HA LYS 585 HA LYS 585 6.438 17.108 -0.768 629 1HB LYS 585 1HB LYS 585 7.960 18.543 0.355 630 2HB LYS 585 2HB LYS 585 7.198 18.267 1.919 631 1HG LYS 585 1HG LYS 585 8.413 15.928 0.567 632 2HG LYS 585 2HG LYS 585 9.524 17.166 1.151 633 1HD LYS 585 1HD LYS 585 7.369 15.921 2.826 634 2HD LYS 585 2HD LYS 585 9.016 15.290 2.773 635 1HE LYS 585 1HE LYS 585 9.864 17.481 3.528 636 2HE LYS 585 2HE LYS 585 8.213 18.081 3.638 637 1HZ LYS 585 1HZ LYS 585 9.333 15.810 5.164 638 2HZ LYS 585 2HZ LYS 585 7.742 16.514 5.334 639 3HZ LYS 585 3HZ LYS 585 9.090 17.377 5.776 640 H THR 586 H THR 586 6.330 15.029 -0.660 641 HA THR 586 HA THR 586 5.052 13.759 1.542 642 HB THR 586 HB THR 586 3.144 14.543 0.453 643 HG1 THR 586 HG1 THR 586 3.057 12.384 0.962 644 1HG2 THR 586 1HG2 THR 586 4.057 15.253 -1.654 645 2HG2 THR 586 2HG2 THR 586 2.628 14.256 -1.914 646 3HG2 THR 586 3HG2 THR 586 4.242 13.575 -2.190 647 H PHE 587 H PHE 587 5.198 11.569 1.420 648 HA PHE 587 HA PHE 587 6.909 10.492 -0.639 649 1HB PHE 587 1HB PHE 587 7.449 8.771 1.357 650 2HB PHE 587 2HB PHE 587 8.410 10.206 1.061 651 HD1 PHE 587 HD1 PHE 587 5.690 8.827 3.203 652 HD2 PHE 587 HD2 PHE 587 8.620 11.852 2.663 653 HE1 PHE 587 HE1 PHE 587 5.374 9.604 5.567 654 HE2 PHE 587 HE2 PHE 587 8.299 12.590 4.970 655 HZ PHE 587 HZ PHE 587 6.676 11.453 6.413 656 H PHE 588 H PHE 588 6.497 8.317 -1.174 657 HA PHE 588 HA PHE 588 3.592 7.804 -0.964 658 1HB PHE 588 1HB PHE 588 5.396 6.734 -3.119 659 2HB PHE 588 2HB PHE 588 3.652 6.897 -3.126 660 HD1 PHE 588 HD1 PHE 588 6.478 8.119 -4.550 661 HD2 PHE 588 HD2 PHE 588 2.944 9.527 -2.670 662 HE1 PHE 588 HE1 PHE 588 6.722 10.266 -5.725 663 HE2 PHE 588 HE2 PHE 588 3.176 11.687 -3.847 664 HZ PHE 588 HZ PHE 588 5.065 12.053 -5.373 665 H LEU 589 H LEU 589 2.979 5.943 -0.067 666 HA LEU 589 HA LEU 589 5.056 3.904 0.338 667 1HB LEU 589 1HB LEU 589 3.368 4.827 2.217 668 2HB LEU 589 2HB LEU 589 2.296 3.659 1.471 669 HG LEU 589 HG LEU 589 3.268 2.707 3.449 670 1HD1 LEU 589 1HD1 LEU 589 2.889 1.196 1.568 671 2HD1 LEU 589 2HD1 LEU 589 4.206 0.668 2.621 672 3HD1 LEU 589 3HD1 LEU 589 4.560 1.424 1.067 673 1HD2 LEU 589 1HD2 LEU 589 5.682 2.308 3.626 674 2HD2 LEU 589 2HD2 LEU 589 5.245 4.015 3.635 675 3HD2 LEU 589 3HD2 LEU 589 5.921 3.285 2.180 676 H GLU 590 H GLU 590 4.961 2.117 -0.852 677 HA GLU 590 HA GLU 590 2.470 1.390 -2.186 678 1HB GLU 590 1HB GLU 590 3.974 2.752 -3.714 679 2HB GLU 590 2HB GLU 590 5.167 1.472 -3.555 680 1HG GLU 590 1HG GLU 590 3.572 -0.108 -4.533 681 2HG GLU 590 2HG GLU 590 2.408 1.202 -4.722 682 H ILE 591 H ILE 591 2.449 -0.886 -2.645 683 HA ILE 591 HA ILE 591 4.370 -2.406 -1.039 684 HB ILE 591 HB ILE 591 2.620 -4.193 -0.989 685 1HG1 ILE 591 1HG1 ILE 591 0.809 -2.002 -2.044 686 2HG1 ILE 591 2HG1 ILE 591 1.283 -3.434 -2.942 687 1HG2 ILE 591 1HG2 ILE 591 2.974 -2.804 0.937 688 2HG2 ILE 591 2HG2 ILE 591 1.246 -3.109 0.754 689 3HG2 ILE 591 3HG2 ILE 591 1.924 -1.554 0.274 690 1HD1 ILE 591 1HD1 ILE 591 -0.957 -3.657 -2.061 691 2HD1 ILE 591 2HD1 ILE 591 -0.365 -3.363 -0.428 692 3HD1 ILE 591 3HD1 ILE 591 0.115 -4.828 -1.289 693 H GLY 592 H GLY 592 5.073 -4.394 -1.828 694 1HA GLY 592 1HA GLY 592 5.345 -4.379 -4.737 695 2HA GLY 592 2HA GLY 592 6.378 -5.241 -3.605 696 H GLU 593 H GLU 593 6.037 -7.022 -5.093 697 HA GLU 593 HA GLU 593 3.465 -8.154 -5.538 698 1HB GLU 593 1HB GLU 593 5.352 -8.562 -7.052 699 2HB GLU 593 2HB GLU 593 6.206 -9.452 -5.787 700 1HG GLU 593 1HG GLU 593 4.046 -10.921 -5.800 701 2HG GLU 593 2HG GLU 593 3.805 -10.189 -7.385 702 HA PRO 594 HA PRO 594 3.338 -10.038 -1.462 703 1HB PRO 594 1HB PRO 594 0.806 -11.051 -1.684 704 2HB PRO 594 2HB PRO 594 1.136 -9.369 -1.269 705 1HG PRO 594 1HG PRO 594 0.341 -10.545 -3.863 706 2HG PRO 594 2HG PRO 594 -0.166 -9.025 -3.123 707 1HD PRO 594 1HD PRO 594 1.715 -9.240 -5.100 708 2HD PRO 594 2HD PRO 594 1.690 -7.904 -3.925 709 H ARG 595 H ARG 595 3.907 -12.025 -0.896 710 HA ARG 595 HA ARG 595 3.795 -14.026 -3.004 711 1HB ARG 595 1HB ARG 595 6.106 -14.724 -2.346 712 2HB ARG 595 2HB ARG 595 5.993 -13.138 -3.091 713 1HG ARG 595 1HG ARG 595 5.869 -12.350 -0.582 714 2HG ARG 595 2HG ARG 595 6.713 -13.879 -0.316 715 1HD ARG 595 1HD ARG 595 8.308 -12.107 -0.628 716 2HD ARG 595 2HD ARG 595 8.385 -13.206 -2.013 717 HE ARG 595 HE ARG 595 6.580 -11.158 -2.638 718 1HH1 ARG 595 1HH1 ARG 595 10.083 -11.460 -2.129 719 2HH1 ARG 595 2HH1 ARG 595 10.435 -10.093 -3.089 720 1HH2 ARG 595 1HH2 ARG 595 7.102 -9.346 -3.925 721 2HH2 ARG 595 2HH2 ARG 595 8.718 -8.851 -4.111 722 H LEU 596 H LEU 596 3.086 -15.875 -2.533 723 HA LEU 596 HA LEU 596 2.061 -16.407 0.070 724 1HB LEU 596 1HB LEU 596 1.413 -17.154 -2.466 725 2HB LEU 596 2HB LEU 596 2.282 -18.579 -1.933 726 HG LEU 596 HG LEU 596 0.130 -19.169 -1.451 727 1HD1 LEU 596 1HD1 LEU 596 -0.281 -19.085 0.909 728 2HD1 LEU 596 2HD1 LEU 596 0.814 -17.716 1.062 729 3HD1 LEU 596 3HD1 LEU 596 1.454 -19.293 0.598 730 1HD2 LEU 596 1HD2 LEU 596 -0.454 -16.316 -0.692 731 2HD2 LEU 596 2HD2 LEU 596 -1.612 -17.639 -0.603 732 3HD2 LEU 596 3HD2 LEU 596 -0.952 -17.146 -2.164 733 H VAL 597 H VAL 597 3.173 -17.445 1.612 734 HA VAL 597 HA VAL 597 5.887 -18.141 1.112 735 HB VAL 597 HB VAL 597 4.257 -18.431 3.656 736 1HG1 VAL 597 1HG1 VAL 597 6.151 -19.996 3.693 737 2HG1 VAL 597 2HG1 VAL 597 6.396 -18.674 4.835 738 3HG1 VAL 597 3HG1 VAL 597 7.251 -18.677 3.293 739 1HG2 VAL 597 1HG2 VAL 597 6.291 -16.386 2.790 740 2HG2 VAL 597 2HG2 VAL 597 5.488 -16.442 4.361 741 3HG2 VAL 597 3HG2 VAL 597 4.547 -16.145 2.899 742 H GLU 598 H GLU 598 2.973 -20.041 1.370 743 HA GLU 598 HA GLU 598 4.496 -22.404 1.561 744 1HB GLU 598 1HB GLU 598 2.384 -23.669 1.211 745 2HB GLU 598 2HB GLU 598 2.382 -22.583 2.580 746 1HG GLU 598 1HG GLU 598 1.030 -21.021 1.418 747 2HG GLU 598 2HG GLU 598 1.161 -21.939 -0.084 748 H MET 599 H MET 599 5.851 -22.505 0.061 749 HA MET 599 HA MET 599 6.838 -23.218 -1.759 750 1HB MET 599 1HB MET 599 4.243 -24.631 -2.232 751 2HB MET 599 2HB MET 599 5.648 -24.850 -3.263 752 1HG MET 599 1HG MET 599 5.447 -25.458 -0.325 753 2HG MET 599 2HG MET 599 5.541 -26.618 -1.647 754 1HE MET 599 1HE MET 599 9.224 -25.945 -2.960 755 2HE MET 599 2HE MET 599 7.759 -25.148 -3.522 756 3HE MET 599 3HE MET 599 7.755 -26.886 -3.212 757 H SER 600 H SER 600 7.064 -21.100 -2.438 758 HA SER 600 HA SER 600 5.559 -20.396 -4.759 759 1HB SER 600 1HB SER 600 7.866 -19.114 -3.298 760 2HB SER 600 2HB SER 600 7.351 -18.521 -4.866 761 HG SER 600 HG SER 600 5.916 -18.527 -2.431 762 H GLU 601 H GLU 601 5.785 -21.689 -6.313 763 HA GLU 601 HA GLU 601 8.222 -23.156 -6.878 764 1HB GLU 601 1HB GLU 601 6.784 -24.421 -8.390 765 2HB GLU 601 2HB GLU 601 6.078 -24.292 -6.782 766 1HG GLU 601 1HG GLU 601 4.672 -22.419 -7.599 767 2HG GLU 601 2HG GLU 601 5.317 -22.690 -9.212 768 H LYS 602 H LYS 602 7.517 -20.133 -7.714 769 HA LYS 602 HA LYS 602 7.696 -18.737 -9.467 770 1HB LYS 602 1HB LYS 602 9.617 -20.826 -10.590 771 2HB LYS 602 2HB LYS 602 9.433 -19.203 -11.222 772 1HG LYS 602 1HG LYS 602 11.420 -19.202 -9.944 773 2HG LYS 602 2HG LYS 602 10.220 -18.365 -8.970 774 1HD LYS 602 1HD LYS 602 11.358 -19.757 -7.460 775 2HD LYS 602 2HD LYS 602 9.856 -20.605 -7.792 776 1HE LYS 602 1HE LYS 602 12.559 -21.212 -9.019 777 2HE LYS 602 2HE LYS 602 11.797 -22.123 -7.725 778 1HZ LYS 602 1HZ LYS 602 9.964 -22.626 -9.455 779 2HZ LYS 602 2HZ LYS 602 11.458 -23.320 -9.677 780 3HZ LYS 602 3HZ LYS 602 11.046 -21.992 -10.590 781 H LYS 603 H LYS 603 5.496 -19.249 -9.811 782 HA LYS 603 HA LYS 603 4.963 -21.146 -11.913 783 1HB LYS 603 1HB LYS 603 2.524 -20.703 -11.356 784 2HB LYS 603 2HB LYS 603 3.499 -21.455 -10.103 785 1HG LYS 603 1HG LYS 603 3.688 -19.335 -8.943 786 2HG LYS 603 2HG LYS 603 2.784 -18.534 -10.219 787 1HD LYS 603 1HD LYS 603 1.348 -18.961 -8.279 788 2HD LYS 603 2HD LYS 603 0.812 -19.893 -9.670 789 1HE LYS 603 1HE LYS 603 2.643 -21.138 -7.647 790 2HE LYS 603 2HE LYS 603 0.922 -21.009 -7.311 791 1HZ LYS 603 1HZ LYS 603 1.946 -22.330 -9.791 792 2HZ LYS 603 2HZ LYS 603 0.419 -22.428 -9.113 793 3HZ LYS 603 3HZ LYS 603 1.716 -23.150 -8.345 794 H GLY 604 H GLY 604 6.184 -19.615 -13.265 795 1HA GLY 604 1HA GLY 604 4.265 -17.812 -14.560 796 2HA GLY 604 2HA GLY 604 5.931 -17.315 -14.272 797 H GLY 605 H GLY 605 4.363 -20.234 -15.491 798 1HA GLY 605 1HA GLY 605 4.817 -20.102 -18.105 799 2HA GLY 605 2HA GLY 605 6.417 -20.494 -17.475 800 H PHE 606 H PHE 606 6.387 -22.506 -18.469 801 HA PHE 606 HA PHE 606 4.644 -24.457 -17.140 802 1HB PHE 606 1HB PHE 606 4.258 -24.077 -19.666 803 2HB PHE 606 2HB PHE 606 5.883 -24.741 -19.862 804 HD1 PHE 606 HD1 PHE 606 6.033 -26.957 -20.406 805 HD2 PHE 606 HD2 PHE 606 2.692 -25.640 -18.142 806 HE1 PHE 606 HE1 PHE 606 5.115 -29.240 -20.445 807 HE2 PHE 606 HE2 PHE 606 1.764 -27.910 -18.171 808 HZ PHE 606 HZ PHE 606 2.974 -29.719 -19.326 809 H THR 607 H THR 607 5.816 -26.627 -17.005 810 HA THR 607 HA THR 607 8.421 -26.048 -16.084 811 HB THR 607 HB THR 607 8.215 -28.561 -15.510 812 HG1 THR 607 HG1 THR 607 6.165 -29.316 -15.516 813 1HG2 THR 607 1HG2 THR 607 8.260 -26.746 -13.876 814 2HG2 THR 607 2HG2 THR 607 7.015 -27.914 -13.433 815 3HG2 THR 607 3HG2 THR 607 6.566 -26.392 -14.199 816 H ILE 608 H ILE 608 10.250 -27.001 -16.644 817 HA ILE 608 HA ILE 608 11.878 -27.865 -17.837 818 HB ILE 608 HB ILE 608 9.845 -29.345 -19.503 819 1HG1 ILE 608 1HG1 ILE 608 11.413 -30.317 -17.095 820 2HG1 ILE 608 2HG1 ILE 608 9.689 -29.972 -17.117 821 1HG2 ILE 608 1HG2 ILE 608 11.756 -30.836 -20.097 822 2HG2 ILE 608 2HG2 ILE 608 12.822 -29.832 -19.118 823 3HG2 ILE 608 3HG2 ILE 608 12.077 -29.165 -20.568 824 1HD1 ILE 608 1HD1 ILE 608 11.086 -32.152 -18.662 825 2HD1 ILE 608 2HD1 ILE 608 9.356 -31.813 -18.708 826 3HD1 ILE 608 3HD1 ILE 608 10.107 -32.363 -17.211 827 H THR 609 H THR 609 12.196 -25.888 -18.364 828 HA THR 609 HA THR 609 12.694 -25.198 -20.986 829 HB THR 609 HB THR 609 10.190 -24.886 -21.139 830 HG1 THR 609 HG1 THR 609 10.342 -23.093 -22.253 831 1HG2 THR 609 1HG2 THR 609 9.110 -23.065 -19.885 832 2HG2 THR 609 2HG2 THR 609 10.617 -22.802 -18.999 833 3HG2 THR 609 3HG2 THR 609 9.740 -24.320 -18.816 834 H GLU 610 H GLU 610 13.044 -22.524 -20.795 835 HA GLU 610 HA GLU 610 14.394 -22.197 -18.202 836 1HB GLU 610 1HB GLU 610 15.792 -20.514 -19.279 837 2HB GLU 610 2HB GLU 610 15.875 -22.028 -20.164 838 1HG GLU 610 1HG GLU 610 14.365 -21.159 -21.846 839 2HG GLU 610 2HG GLU 610 14.177 -19.666 -20.928 840 H GLU 611 H GLU 611 11.649 -21.405 -19.789 841 HA GLU 611 HA GLU 611 11.547 -18.616 -19.018 842 1HB GLU 611 1HB GLU 611 9.581 -20.333 -20.512 843 2HB GLU 611 2HB GLU 611 9.458 -18.588 -20.292 844 1HG GLU 611 1HG GLU 611 11.403 -18.223 -21.620 845 2HG GLU 611 2HG GLU 611 11.761 -19.948 -21.660 846 H TYR 612 H TYR 612 11.370 -18.652 -16.801 847 HA TYR 612 HA TYR 612 8.730 -19.420 -15.785 848 1HB TYR 612 1HB TYR 612 11.350 -19.680 -14.273 849 2HB TYR 612 2HB TYR 612 9.755 -19.957 -13.600 850 HD1 TYR 612 HD1 TYR 612 8.489 -21.988 -14.267 851 HD2 TYR 612 HD2 TYR 612 12.493 -21.329 -15.514 852 HE1 TYR 612 HE1 TYR 612 8.724 -24.388 -14.768 853 HE2 TYR 612 HE2 TYR 612 12.733 -23.708 -16.032 854 HH TYR 612 HH TYR 612 11.708 -25.809 -15.223 855 H ASP 613 H ASP 613 7.996 -17.319 -15.886 856 HA ASP 613 HA ASP 613 9.736 -15.335 -14.655 857 1HB ASP 613 1HB ASP 613 8.993 -14.820 -16.958 858 2HB ASP 613 2HB ASP 613 7.328 -14.759 -16.371 859 H ASP 614 H ASP 614 9.419 -14.986 -12.698 860 HA ASP 614 HA ASP 614 6.846 -14.286 -11.610 861 1HB ASP 614 1HB ASP 614 6.980 -16.788 -11.271 862 2HB ASP 614 2HB ASP 614 8.529 -16.576 -10.475 863 H LYS 615 H LYS 615 7.403 -13.508 -9.231 864 HA LYS 615 HA LYS 615 8.568 -12.352 -7.785 865 1HB LYS 615 1HB LYS 615 10.904 -13.429 -9.286 866 2HB LYS 615 2HB LYS 615 11.096 -12.503 -7.792 867 1HG LYS 615 1HG LYS 615 9.480 -15.044 -7.918 868 2HG LYS 615 2HG LYS 615 11.229 -15.120 -7.741 869 1HD LYS 615 1HD LYS 615 10.124 -15.355 -5.585 870 2HD LYS 615 2HD LYS 615 11.022 -13.844 -5.635 871 1HE LYS 615 1HE LYS 615 8.859 -13.611 -4.553 872 2HE LYS 615 2HE LYS 615 8.957 -12.613 -5.990 873 1HZ LYS 615 1HZ LYS 615 7.323 -15.028 -5.499 874 2HZ LYS 615 2HZ LYS 615 7.799 -14.713 -7.071 875 3HZ LYS 615 3HZ LYS 615 6.930 -13.544 -6.222 876 H GLN 616 H GLN 616 7.949 -11.445 -10.637 877 HA GLN 616 HA GLN 616 9.561 -9.034 -10.686 878 1HB GLN 616 1HB GLN 616 7.397 -10.093 -12.511 879 2HB GLN 616 2HB GLN 616 7.942 -8.437 -12.613 880 1HG GLN 616 1HG GLN 616 10.289 -9.533 -12.916 881 2HG GLN 616 2HG GLN 616 9.336 -10.954 -13.366 882 1HE2 GLN 616 1HE2 GLN 616 8.068 -10.888 -15.271 883 2HE2 GLN 616 2HE2 GLN 616 8.264 -9.642 -16.429 884 HA PRO 617 HA PRO 617 6.551 -6.527 -8.544 885 1HB PRO 617 1HB PRO 617 6.219 -4.510 -10.461 886 2HB PRO 617 2HB PRO 617 7.424 -4.524 -9.170 887 1HG PRO 617 1HG PRO 617 7.710 -5.280 -12.038 888 2HG PRO 617 2HG PRO 617 8.862 -4.460 -10.968 889 1HD PRO 617 1HD PRO 617 9.152 -7.027 -11.605 890 2HD PRO 617 2HD PRO 617 9.536 -6.460 -9.972 891 H LEU 618 H LEU 618 4.367 -5.414 -9.045 892 HA LEU 618 HA LEU 618 2.685 -7.427 -10.115 893 1HB LEU 618 1HB LEU 618 2.067 -4.660 -9.141 894 2HB LEU 618 2HB LEU 618 0.828 -5.770 -9.693 895 HG LEU 618 HG LEU 618 0.773 -5.867 -7.346 896 1HD1 LEU 618 1HD1 LEU 618 2.449 -8.223 -8.136 897 2HD1 LEU 618 2HD1 LEU 618 0.709 -8.067 -8.386 898 3HD1 LEU 618 3HD1 LEU 618 1.365 -8.099 -6.752 899 1HD2 LEU 618 1HD2 LEU 618 2.685 -6.182 -5.918 900 2HD2 LEU 618 2HD2 LEU 618 2.907 -4.739 -6.917 901 3HD2 LEU 618 3HD2 LEU 618 3.741 -6.247 -7.320 902 H THR 619 H THR 619 0.958 -7.005 -11.586 903 HA THR 619 HA THR 619 0.244 -6.862 -13.541 904 HB THR 619 HB THR 619 0.707 -4.848 -15.081 905 HG1 THR 619 HG1 THR 619 2.538 -4.397 -13.211 906 1HG2 THR 619 1HG2 THR 619 -0.375 -4.448 -12.318 907 2HG2 THR 619 2HG2 THR 619 -1.263 -5.055 -13.719 908 3HG2 THR 619 3HG2 THR 619 -0.690 -3.383 -13.689 909 H SER 620 H SER 620 0.426 -7.619 -15.490 910 HA SER 620 HA SER 620 2.546 -9.474 -15.437 911 1HB SER 620 1HB SER 620 0.060 -9.796 -15.936 912 2HB SER 620 2HB SER 620 0.492 -9.319 -17.575 913 HG SER 620 HG SER 620 1.694 -11.089 -17.803 914 H LYS 621 H LYS 621 2.399 -6.489 -17.036 915 HA LYS 621 HA LYS 621 3.798 -5.474 -18.551 916 1HB LYS 621 1HB LYS 621 5.543 -7.878 -17.950 917 2HB LYS 621 2HB LYS 621 6.078 -6.477 -18.853 918 1HG LYS 621 1HG LYS 621 5.147 -6.412 -15.986 919 2HG LYS 621 2HG LYS 621 6.833 -6.518 -16.492 920 1HD LYS 621 1HD LYS 621 6.526 -4.364 -17.721 921 2HD LYS 621 2HD LYS 621 4.907 -4.256 -17.032 922 1HE LYS 621 1HE LYS 621 5.815 -4.222 -14.791 923 2HE LYS 621 2HE LYS 621 7.443 -4.454 -15.414 924 1HZ LYS 621 1HZ LYS 621 7.264 -2.290 -16.530 925 2HZ LYS 621 2HZ LYS 621 7.081 -2.148 -14.879 926 3HZ LYS 621 3HZ LYS 621 5.732 -2.053 -15.867 927 H GLU 622 H GLU 622 1.784 -7.378 -19.496 928 HA GLU 622 HA GLU 622 0.940 -8.127 -21.443 929 1HB GLU 622 1HB GLU 622 3.561 -7.358 -22.729 930 2HB GLU 622 2HB GLU 622 2.104 -7.818 -23.593 931 1HG GLU 622 1HG GLU 622 0.972 -5.835 -22.685 932 2HG GLU 622 2HG GLU 622 2.466 -5.381 -21.862 933 H GLU 623 H GLU 623 3.529 -9.508 -19.927 934 HA GLU 623 HA GLU 623 3.901 -11.687 -21.767 935 1HB GLU 623 1HB GLU 623 5.775 -10.913 -20.340 936 2HB GLU 623 2HB GLU 623 4.864 -11.370 -18.912 937 1HG GLU 623 1HG GLU 623 6.617 -13.008 -19.556 938 2HG GLU 623 2HG GLU 623 4.994 -13.697 -19.495 939 H GLU 624 H GLU 624 2.952 -13.609 -21.696 940 HA GLU 624 HA GLU 624 0.636 -13.738 -19.973 941 1HB GLU 624 1HB GLU 624 -0.086 -15.609 -21.472 942 2HB GLU 624 2HB GLU 624 0.106 -14.048 -22.254 943 1HG GLU 624 1HG GLU 624 2.345 -14.796 -23.025 944 2HG GLU 624 2HG GLU 624 1.963 -16.396 -22.383 945 H GLU 625 H GLU 625 3.727 -15.117 -20.206 946 HA GLU 625 HA GLU 625 3.214 -17.453 -18.646 947 1HB GLU 625 1HB GLU 625 5.776 -15.827 -18.662 948 2HB GLU 625 2HB GLU 625 5.607 -17.508 -18.201 949 1HG GLU 625 1HG GLU 625 5.370 -16.331 -20.953 950 2HG GLU 625 2HG GLU 625 6.645 -17.380 -20.347 951 H ARG 626 H ARG 626 4.050 -14.135 -17.978 952 HA ARG 626 HA ARG 626 4.362 -14.181 -15.178 953 1HB ARG 626 1HB ARG 626 4.856 -12.402 -17.068 954 2HB ARG 626 2HB ARG 626 3.237 -11.854 -16.718 955 1HG ARG 626 1HG ARG 626 5.613 -11.838 -14.837 956 2HG ARG 626 2HG ARG 626 4.928 -10.456 -15.662 957 1HD ARG 626 1HD ARG 626 4.001 -10.152 -13.601 958 2HD ARG 626 2HD ARG 626 2.775 -11.217 -14.281 959 HE ARG 626 HE ARG 626 3.873 -13.048 -13.148 960 1HH1 ARG 626 1HH1 ARG 626 4.551 -9.726 -11.905 961 2HH1 ARG 626 2HH1 ARG 626 5.009 -10.282 -10.373 962 1HH2 ARG 626 1HH2 ARG 626 4.555 -13.712 -10.903 963 2HH2 ARG 626 2HH2 ARG 626 4.965 -12.446 -9.814 964 H ARG 627 H ARG 627 1.597 -13.997 -17.342 965 HA ARG 627 HA ARG 627 -0.374 -13.130 -15.518 966 1HB ARG 627 1HB ARG 627 -0.662 -14.698 -18.079 967 2HB ARG 627 2HB ARG 627 -2.039 -14.167 -17.127 968 1HG ARG 627 1HG ARG 627 -1.351 -11.856 -17.405 969 2HG ARG 627 2HG ARG 627 0.048 -12.377 -18.335 970 1HD ARG 627 1HD ARG 627 -1.470 -13.348 -20.018 971 2HD ARG 627 2HD ARG 627 -2.840 -12.768 -19.069 972 HE ARG 627 HE ARG 627 -1.550 -10.524 -19.396 973 1HH1 ARG 627 1HH1 ARG 627 -2.281 -13.024 -21.838 974 2HH1 ARG 627 2HH1 ARG 627 -2.311 -11.918 -23.121 975 1HH2 ARG 627 1HH2 ARG 627 -1.618 -9.043 -21.177 976 2HH2 ARG 627 2HH2 ARG 627 -1.916 -9.612 -22.750 977 H ILE 628 H ILE 628 0.923 -16.305 -16.160 978 HA ILE 628 HA ILE 628 -1.044 -17.817 -14.825 979 HB ILE 628 HB ILE 628 1.938 -18.321 -15.082 980 1HG1 ILE 628 1HG1 ILE 628 -0.349 -19.349 -16.764 981 2HG1 ILE 628 2HG1 ILE 628 0.710 -18.024 -17.229 982 1HG2 ILE 628 1HG2 ILE 628 -0.307 -20.233 -14.412 983 2HG2 ILE 628 2HG2 ILE 628 0.938 -19.651 -13.309 984 3HG2 ILE 628 3HG2 ILE 628 1.383 -20.683 -14.675 985 1HD1 ILE 628 1HD1 ILE 628 2.594 -19.504 -17.247 986 2HD1 ILE 628 2HD1 ILE 628 1.303 -20.144 -18.281 987 3HD1 ILE 628 3HD1 ILE 628 1.588 -20.836 -16.682 988 H ALA 629 H ALA 629 1.901 -16.241 -13.828 989 HA ALA 629 HA ALA 629 1.751 -16.980 -11.123 990 1HB ALA 629 1HB ALA 629 3.848 -16.266 -12.181 991 2HB ALA 629 2HB ALA 629 3.479 -15.313 -10.743 992 3HB ALA 629 3HB ALA 629 3.198 -14.634 -12.348 993 H GLU 630 H GLU 630 0.645 -14.198 -12.923 994 HA GLU 630 HA GLU 630 -0.212 -12.612 -10.806 995 1HB GLU 630 1HB GLU 630 -1.270 -12.893 -13.618 996 2HB GLU 630 2HB GLU 630 -1.942 -11.727 -12.502 997 1HG GLU 630 1HG GLU 630 0.987 -11.720 -13.056 998 2HG GLU 630 2HG GLU 630 -0.131 -11.016 -14.222 999 H MET 631 H MET 631 -1.695 -15.407 -12.235 1000 HA MET 631 HA MET 631 -4.215 -14.993 -10.799 1001 1HB MET 631 1HB MET 631 -3.365 -17.282 -12.558 1002 2HB MET 631 2HB MET 631 -4.978 -17.023 -11.897 1003 1HG MET 631 1HG MET 631 -5.081 -14.908 -13.077 1004 2HG MET 631 2HG MET 631 -3.486 -15.289 -13.751 1005 1HE MET 631 1HE MET 631 -3.654 -18.385 -14.396 1006 2HE MET 631 2HE MET 631 -3.023 -17.189 -15.532 1007 3HE MET 631 3HE MET 631 -4.222 -18.363 -16.068 1008 H GLY 632 H GLY 632 -1.325 -16.796 -10.609 1009 1HA GLY 632 1HA GLY 632 -2.478 -18.597 -8.772 1010 2HA GLY 632 2HA GLY 632 -0.791 -18.577 -9.318 1011 H ARG 633 H ARG 633 -0.579 -15.722 -8.677 1012 HA ARG 633 HA ARG 633 0.301 -15.859 -5.939 1013 1HB ARG 633 1HB ARG 633 0.471 -13.952 -8.215 1014 2HB ARG 633 2HB ARG 633 0.655 -13.317 -6.603 1015 1HG ARG 633 1HG ARG 633 2.761 -13.797 -7.853 1016 2HG ARG 633 2HG ARG 633 2.626 -14.520 -6.253 1017 1HD ARG 633 1HD ARG 633 1.768 -16.112 -8.561 1018 2HD ARG 633 2HD ARG 633 3.502 -15.843 -8.407 1019 HE ARG 633 HE ARG 633 1.792 -17.229 -6.420 1020 1HH1 ARG 633 1HH1 ARG 633 5.052 -16.594 -7.755 1021 2HH1 ARG 633 2HH1 ARG 633 5.875 -17.448 -6.552 1022 1HH2 ARG 633 1HH2 ARG 633 2.942 -18.423 -4.749 1023 2HH2 ARG 633 2HH2 ARG 633 4.639 -18.460 -4.712 1024 HA PRO 634 HA PRO 634 -3.042 -13.183 -4.399 1025 1HB PRO 634 1HB PRO 634 -1.375 -11.828 -2.589 1026 2HB PRO 634 2HB PRO 634 -2.383 -13.218 -2.184 1027 1HG PRO 634 1HG PRO 634 0.518 -13.064 -2.490 1028 2HG PRO 634 2HG PRO 634 -0.466 -14.344 -1.781 1029 1HD PRO 634 1HD PRO 634 0.840 -14.365 -4.271 1030 2HD PRO 634 2HD PRO 634 -0.310 -15.564 -3.659 1031 H ILE 635 H ILE 635 -3.452 -10.988 -4.990 1032 HA ILE 635 HA ILE 635 -1.131 -9.708 -6.171 1033 HB ILE 635 HB ILE 635 -2.643 -8.924 -8.086 1034 1HG1 ILE 635 1HG1 ILE 635 -4.259 -10.707 -8.853 1035 2HG1 ILE 635 2HG1 ILE 635 -4.089 -11.453 -7.273 1036 1HG2 ILE 635 1HG2 ILE 635 -1.956 -10.840 -9.465 1037 2HG2 ILE 635 2HG2 ILE 635 -1.519 -11.704 -7.993 1038 3HG2 ILE 635 3HG2 ILE 635 -0.671 -10.220 -8.429 1039 1HD1 ILE 635 1HD1 ILE 635 -6.132 -10.160 -7.444 1040 2HD1 ILE 635 2HD1 ILE 635 -5.198 -8.710 -7.818 1041 3HD1 ILE 635 3HD1 ILE 635 -5.048 -9.472 -6.234 1042 H LEU 636 H LEU 636 -1.940 -7.586 -7.295 1043 HA LEU 636 HA LEU 636 -2.224 -5.712 -5.195 1044 1HB LEU 636 1HB LEU 636 -1.087 -5.610 -7.540 1045 2HB LEU 636 2HB LEU 636 -2.683 -5.153 -8.069 1046 HG LEU 636 HG LEU 636 -2.434 -3.470 -6.039 1047 1HD1 LEU 636 1HD1 LEU 636 -0.201 -2.528 -5.975 1048 2HD1 LEU 636 2HD1 LEU 636 0.375 -3.806 -7.037 1049 3HD1 LEU 636 3HD1 LEU 636 -0.222 -4.204 -5.423 1050 1HD2 LEU 636 1HD2 LEU 636 -1.433 -3.077 -8.849 1051 2HD2 LEU 636 2HD2 LEU 636 -1.785 -1.781 -7.689 1052 3HD2 LEU 636 3HD2 LEU 636 -3.078 -2.851 -8.224 1053 H GLY 637 H GLY 637 -3.991 -4.435 -4.742 1054 1HA GLY 637 1HA GLY 637 -6.536 -5.307 -5.783 1055 2HA GLY 637 2HA GLY 637 -6.296 -4.150 -4.483 1056 H GLU 638 H GLU 638 -7.206 -2.341 -5.086 1057 HA GLU 638 HA GLU 638 -7.177 -1.612 -7.909 1058 1HB GLU 638 1HB GLU 638 -9.297 -1.756 -6.697 1059 2HB GLU 638 2HB GLU 638 -8.775 -0.442 -5.660 1060 1HG GLU 638 1HG GLU 638 -8.722 1.067 -7.529 1061 2HG GLU 638 2HG GLU 638 -9.123 -0.246 -8.638 1062 H HIS 639 H HIS 639 -6.664 -0.031 -4.750 1063 HA HIS 639 HA HIS 639 -4.856 1.682 -6.211 1064 1HB HIS 639 1HB HIS 639 -5.494 3.664 -4.808 1065 2HB HIS 639 2HB HIS 639 -6.716 3.125 -5.937 1066 HD1 HIS 639 HD1 HIS 639 -6.088 3.648 -2.292 1067 HD2 HIS 639 HD2 HIS 639 -9.027 2.024 -4.733 1068 HE1 HIS 639 HE1 HIS 639 -8.151 3.506 -0.885 1069 H THR 640 H THR 640 -3.059 0.748 -5.681 1070 HA THR 640 HA THR 640 -2.382 0.685 -2.896 1071 HB THR 640 HB THR 640 -0.307 -0.435 -3.985 1072 HG1 THR 640 HG1 THR 640 -0.540 -0.214 -6.126 1073 1HG2 THR 640 1HG2 THR 640 -1.517 -2.582 -4.037 1074 2HG2 THR 640 2HG2 THR 640 -3.053 -1.714 -4.072 1075 3HG2 THR 640 3HG2 THR 640 -2.014 -1.609 -2.653 1076 H LYS 641 H LYS 641 -2.087 2.801 -2.502 1077 HA LYS 641 HA LYS 641 0.301 4.073 -3.270 1078 1HB LYS 641 1HB LYS 641 -0.808 4.628 -5.272 1079 2HB LYS 641 2HB LYS 641 -2.339 4.946 -4.465 1080 1HG LYS 641 1HG LYS 641 -1.435 7.063 -5.116 1081 2HG LYS 641 2HG LYS 641 -1.220 6.925 -3.374 1082 1HD LYS 641 1HD LYS 641 1.098 6.233 -3.736 1083 2HD LYS 641 2HD LYS 641 0.895 6.499 -5.478 1084 1HE LYS 641 1HE LYS 641 0.674 8.529 -3.261 1085 2HE LYS 641 2HE LYS 641 1.926 8.437 -4.482 1086 1HZ LYS 641 1HZ LYS 641 0.321 9.026 -6.181 1087 2HZ LYS 641 2HZ LYS 641 0.232 10.179 -4.952 1088 3HZ LYS 641 3HZ LYS 641 -0.939 9.003 -5.082 1089 H LEU 642 H LEU 642 0.749 5.192 -1.542 1090 HA LEU 642 HA LEU 642 -1.444 6.365 0.030 1091 1HB LEU 642 1HB LEU 642 -0.502 4.373 1.160 1092 2HB LEU 642 2HB LEU 642 1.087 5.117 1.037 1093 HG LEU 642 HG LEU 642 0.207 7.020 2.372 1094 1HD1 LEU 642 1HD1 LEU 642 -2.139 6.763 2.076 1095 2HD1 LEU 642 2HD1 LEU 642 -1.744 6.567 3.788 1096 3HD1 LEU 642 3HD1 LEU 642 -2.095 5.155 2.800 1097 1HD2 LEU 642 1HD2 LEU 642 0.210 4.328 3.704 1098 2HD2 LEU 642 2HD2 LEU 642 0.438 5.921 4.461 1099 3HD2 LEU 642 3HD2 LEU 642 1.628 5.314 3.320 1100 H GLU 643 H GLU 643 -1.152 8.400 -0.631 1101 HA GLU 643 HA GLU 643 1.537 9.474 -0.796 1102 1HB GLU 643 1HB GLU 643 -0.424 9.938 -2.467 1103 2HB GLU 643 2HB GLU 643 -1.034 10.965 -1.191 1104 1HG GLU 643 1HG GLU 643 0.778 12.433 -1.319 1105 2HG GLU 643 2HG GLU 643 1.718 11.306 -2.294 1106 H VAL 644 H VAL 644 2.359 9.884 1.156 1107 HA VAL 644 HA VAL 644 0.625 10.727 3.329 1108 HB VAL 644 HB VAL 644 3.588 10.243 3.348 1109 1HG1 VAL 644 1HG1 VAL 644 3.250 9.876 5.741 1110 2HG1 VAL 644 2HG1 VAL 644 1.532 10.195 5.541 1111 3HG1 VAL 644 3HG1 VAL 644 2.706 11.473 5.237 1112 1HG2 VAL 644 1HG2 VAL 644 2.326 8.288 2.468 1113 2HG2 VAL 644 2HG2 VAL 644 1.470 8.189 4.015 1114 3HG2 VAL 644 3HG2 VAL 644 3.220 7.963 3.934 1115 H ILE 645 H ILE 645 0.176 12.844 3.023 1116 HA ILE 645 HA ILE 645 2.363 14.646 2.418 1117 HB ILE 645 HB ILE 645 -0.586 15.261 2.875 1118 1HG1 ILE 645 1HG1 ILE 645 -0.404 16.072 0.416 1119 2HG1 ILE 645 2HG1 ILE 645 1.093 15.166 0.362 1120 1HG2 ILE 645 1HG2 ILE 645 -0.102 17.567 2.172 1121 2HG2 ILE 645 2HG2 ILE 645 1.615 17.183 2.148 1122 3HG2 ILE 645 3HG2 ILE 645 0.718 17.119 3.671 1123 1HD1 ILE 645 1HD1 ILE 645 -1.640 14.036 0.919 1124 2HD1 ILE 645 2HD1 ILE 645 -0.151 13.105 0.859 1125 3HD1 ILE 645 3HD1 ILE 645 -0.760 13.893 -0.592 1126 H ILE 646 H ILE 646 3.442 15.718 3.918 1127 HA ILE 646 HA ILE 646 2.509 15.420 6.674 1128 HB ILE 646 HB ILE 646 5.281 16.415 5.943 1129 1HG1 ILE 646 1HG1 ILE 646 5.983 13.896 6.491 1130 2HG1 ILE 646 2HG1 ILE 646 4.336 13.574 5.995 1131 1HG2 ILE 646 1HG2 ILE 646 5.901 15.507 8.185 1132 2HG2 ILE 646 2HG2 ILE 646 4.230 15.060 8.453 1133 3HG2 ILE 646 3HG2 ILE 646 4.681 16.751 8.302 1134 1HD1 ILE 646 1HD1 ILE 646 4.745 14.552 3.818 1135 2HD1 ILE 646 2HD1 ILE 646 5.918 13.282 4.161 1136 3HD1 ILE 646 3HD1 ILE 646 6.378 14.977 4.309 1137 H GLU 647 H GLU 647 2.247 17.154 7.869 1138 HA GLU 647 HA GLU 647 2.665 19.769 6.691 1139 1HB GLU 647 1HB GLU 647 0.411 20.302 7.921 1140 2HB GLU 647 2HB GLU 647 0.379 19.601 6.308 1141 1HG GLU 647 1HG GLU 647 -0.203 17.504 7.090 1142 2HG GLU 647 2HG GLU 647 0.285 17.848 8.733 1143 H GLU 648 H GLU 648 2.783 21.420 8.432 1144 HA GLU 648 HA GLU 648 3.955 20.319 10.773 1145 1HB GLU 648 1HB GLU 648 3.461 23.140 9.880 1146 2HB GLU 648 2HB GLU 648 3.826 22.835 11.565 1147 1HG GLU 648 1HG GLU 648 5.825 23.474 10.306 1148 2HG GLU 648 2HG GLU 648 5.967 21.856 10.965 1149 H SER 649 H SER 649 2.378 19.076 11.231 1150 HA SER 649 HA SER 649 0.509 18.226 12.203 1151 1HB SER 649 1HB SER 649 2.418 18.464 13.857 1152 2HB SER 649 2HB SER 649 1.497 19.789 14.563 1153 HG SER 649 HG SER 649 0.036 18.419 15.289 1154 H TYR 650 H TYR 650 -1.277 19.260 11.071 1155 HA TYR 650 HA TYR 650 -2.629 21.163 12.783 1156 1HB TYR 650 1HB TYR 650 -2.913 21.858 10.516 1157 2HB TYR 650 2HB TYR 650 -3.158 20.207 9.951 1158 HD1 TYR 650 HD1 TYR 650 -5.317 19.364 9.702 1159 HD2 TYR 650 HD2 TYR 650 -4.736 22.894 11.987 1160 HE1 TYR 650 HE1 TYR 650 -7.715 19.587 9.901 1161 HE2 TYR 650 HE2 TYR 650 -7.172 23.159 12.189 1162 HH TYR 650 HH TYR 650 -9.347 20.697 11.407 1163 H GLU 651 H GLU 651 -3.613 18.258 10.985 1164 HA GLU 651 HA GLU 651 -4.349 16.750 13.201 1165 1HB GLU 651 1HB GLU 651 -6.099 18.586 13.353 1166 2HB GLU 651 2HB GLU 651 -6.698 18.061 11.793 1167 1HG GLU 651 1HG GLU 651 -7.262 15.882 12.732 1168 2HG GLU 651 2HG GLU 651 -6.634 16.393 14.299 1169 H PHE 652 H PHE 652 -5.666 14.927 12.424 1170 HA PHE 652 HA PHE 652 -4.566 13.990 9.934 1171 1HB PHE 652 1HB PHE 652 -4.531 12.485 11.816 1172 2HB PHE 652 2HB PHE 652 -6.274 12.631 12.020 1173 HD1 PHE 652 HD1 PHE 652 -3.776 11.666 9.456 1174 HD2 PHE 652 HD2 PHE 652 -7.614 10.975 11.134 1175 HE1 PHE 652 HE1 PHE 652 -4.092 9.783 7.935 1176 HE2 PHE 652 HE2 PHE 652 -7.938 9.073 9.610 1177 HZ PHE 652 HZ PHE 652 -6.170 8.482 8.002 1178 H LYS 653 H LYS 653 -5.524 13.953 8.075 1179 HA LYS 653 HA LYS 653 -8.415 13.800 7.856 1180 1HB LYS 653 1HB LYS 653 -6.719 15.931 6.587 1181 2HB LYS 653 2HB LYS 653 -8.241 15.420 5.884 1182 1HG LYS 653 1HG LYS 653 -9.334 16.018 8.069 1183 2HG LYS 653 2HG LYS 653 -7.794 16.717 8.554 1184 1HD LYS 653 1HD LYS 653 -7.838 18.293 6.790 1185 2HD LYS 653 2HD LYS 653 -9.194 17.456 6.020 1186 1HE LYS 653 1HE LYS 653 -9.337 18.806 8.713 1187 2HE LYS 653 2HE LYS 653 -9.825 19.570 7.206 1188 1HZ LYS 653 1HZ LYS 653 -11.693 18.593 8.425 1189 2HZ LYS 653 2HZ LYS 653 -11.035 17.062 8.287 1190 3HZ LYS 653 3HZ LYS 653 -11.529 17.893 6.913 1191 H SER 654 H SER 654 -9.112 12.810 6.014 1192 HA SER 654 HA SER 654 -7.321 12.238 3.846 1193 1HB SER 654 1HB SER 654 -7.006 10.281 5.396 1194 2HB SER 654 2HB SER 654 -8.743 10.005 5.364 1195 HG SER 654 HG SER 654 -6.804 9.534 3.389 1196 H THR 655 H THR 655 -8.645 13.536 2.625 1197 HA THR 655 HA THR 655 -11.492 12.987 2.617 1198 HB THR 655 HB THR 655 -9.957 15.231 1.280 1199 HG1 THR 655 HG1 THR 655 -10.890 14.814 3.866 1200 1HG2 THR 655 1HG2 THR 655 -12.192 14.785 0.313 1201 2HG2 THR 655 2HG2 THR 655 -12.168 16.322 1.178 1202 3HG2 THR 655 3HG2 THR 655 -12.906 14.903 1.921 1203 H VAL 656 H VAL 656 -11.707 11.182 1.408 1204 HA VAL 656 HA VAL 656 -10.690 11.285 -1.343 1205 HB VAL 656 HB VAL 656 -11.564 8.860 0.260 1206 1HG1 VAL 656 1HG1 VAL 656 -11.857 8.536 -2.134 1207 2HG1 VAL 656 2HG1 VAL 656 -10.535 7.533 -1.537 1208 3HG1 VAL 656 3HG1 VAL 656 -10.185 9.018 -2.422 1209 1HG2 VAL 656 1HG2 VAL 656 -9.524 9.799 1.188 1210 2HG2 VAL 656 2HG2 VAL 656 -8.772 9.779 -0.408 1211 3HG2 VAL 656 3HG2 VAL 656 -9.196 8.263 0.389 1212 H ASP 657 H ASP 657 -12.174 10.920 -2.980 1213 HA ASP 657 HA ASP 657 -14.997 10.700 -2.191 1214 1HB ASP 657 1HB ASP 657 -15.658 12.356 -3.852 1215 2HB ASP 657 2HB ASP 657 -14.486 13.082 -2.763 Start of MODEL 5 1 1H HIS 501 1H HIS 501 -7.974 -16.572 -7.751 2 HA HIS 501 HA HIS 501 -6.027 -14.719 -8.240 3 1HB HIS 501 1HB HIS 501 -6.778 -12.788 -6.912 4 2HB HIS 501 2HB HIS 501 -7.867 -13.034 -8.264 5 HD1 HIS 501 HD1 HIS 501 -10.358 -13.042 -7.629 6 HD2 HIS 501 HD2 HIS 501 -7.880 -13.800 -4.376 7 HE1 HIS 501 HE1 HIS 501 -11.840 -13.104 -5.614 8 H ALA 502 H ALA 502 -4.958 -14.166 -6.060 9 HA ALA 502 HA ALA 502 -5.841 -15.951 -3.928 10 1HB ALA 502 1HB ALA 502 -3.960 -17.062 -5.084 11 2HB ALA 502 2HB ALA 502 -3.525 -16.566 -3.444 12 3HB ALA 502 3HB ALA 502 -2.971 -15.625 -4.816 13 H GLY 503 H GLY 503 -5.572 -12.873 -4.805 14 1HA GLY 503 1HA GLY 503 -5.195 -12.139 -2.153 15 2HA GLY 503 2HA GLY 503 -3.827 -11.613 -3.122 16 H ILE 504 H ILE 504 -5.771 -10.155 -1.599 17 HA ILE 504 HA ILE 504 -6.349 -8.164 -3.624 18 HB ILE 504 HB ILE 504 -8.192 -8.755 -1.279 19 1HG1 ILE 504 1HG1 ILE 504 -9.999 -8.956 -3.151 20 2HG1 ILE 504 2HG1 ILE 504 -8.639 -9.226 -4.226 21 1HG2 ILE 504 1HG2 ILE 504 -8.003 -6.405 -1.654 22 2HG2 ILE 504 2HG2 ILE 504 -9.614 -6.912 -2.182 23 3HG2 ILE 504 3HG2 ILE 504 -8.340 -6.588 -3.366 24 1HD1 ILE 504 1HD1 ILE 504 -9.378 -10.892 -1.837 25 2HD1 ILE 504 2HD1 ILE 504 -7.995 -11.172 -2.895 26 3HD1 ILE 504 3HD1 ILE 504 -9.634 -11.317 -3.530 27 H PHE 505 H PHE 505 -4.596 -7.040 -2.996 28 HA PHE 505 HA PHE 505 -4.603 -6.104 -0.221 29 1HB PHE 505 1HB PHE 505 -2.280 -6.644 -2.044 30 2HB PHE 505 2HB PHE 505 -2.113 -5.755 -0.526 31 HD1 PHE 505 HD1 PHE 505 -2.491 -6.918 1.613 32 HD2 PHE 505 HD2 PHE 505 -2.497 -9.016 -2.084 33 HE1 PHE 505 HE1 PHE 505 -2.230 -9.041 2.820 34 HE2 PHE 505 HE2 PHE 505 -2.231 -11.144 -0.883 35 HZ PHE 505 HZ PHE 505 -2.097 -11.155 1.575 36 H THR 506 H THR 506 -5.363 -4.151 -0.224 37 HA THR 506 HA THR 506 -4.409 -2.305 -2.236 38 HB THR 506 HB THR 506 -6.630 -3.251 -2.974 39 HG1 THR 506 HG1 THR 506 -7.290 -0.626 -2.437 40 1HG2 THR 506 1HG2 THR 506 -8.682 -2.545 -1.792 41 2HG2 THR 506 2HG2 THR 506 -7.699 -1.806 -0.538 42 3HG2 THR 506 3HG2 THR 506 -7.669 -3.557 -0.760 43 H PHE 507 H PHE 507 -4.781 -0.067 -1.479 44 HA PHE 507 HA PHE 507 -4.635 0.114 1.409 45 1HB PHE 507 1HB PHE 507 -4.251 2.136 -0.789 46 2HB PHE 507 2HB PHE 507 -4.370 2.612 0.899 47 HD1 PHE 507 HD1 PHE 507 -2.673 1.839 2.508 48 HD2 PHE 507 HD2 PHE 507 -2.258 1.217 -1.674 49 HE1 PHE 507 HE1 PHE 507 -0.272 1.457 2.818 50 HE2 PHE 507 HE2 PHE 507 0.156 0.827 -1.376 51 HZ PHE 507 HZ PHE 507 1.148 0.949 0.890 52 H GLU 508 H GLU 508 -6.043 1.223 2.677 53 HA GLU 508 HA GLU 508 -8.746 1.251 1.836 54 1HB GLU 508 1HB GLU 508 -7.630 0.889 4.181 55 2HB GLU 508 2HB GLU 508 -7.680 2.639 4.284 56 1HG GLU 508 1HG GLU 508 -10.061 0.879 3.829 57 2HG GLU 508 2HG GLU 508 -9.539 1.423 5.420 58 H GLU 509 H GLU 509 -6.175 3.621 2.057 59 HA GLU 509 HA GLU 509 -7.842 5.485 0.614 60 1HB GLU 509 1HB GLU 509 -7.010 7.374 2.008 61 2HB GLU 509 2HB GLU 509 -7.999 6.247 2.915 62 1HG GLU 509 1HG GLU 509 -5.817 5.214 3.705 63 2HG GLU 509 2HG GLU 509 -5.045 6.648 3.019 64 HA PRO 510 HA PRO 510 -4.024 5.619 -1.737 65 1HB PRO 510 1HB PRO 510 -4.764 7.393 -3.595 66 2HB PRO 510 2HB PRO 510 -5.477 5.776 -3.544 67 1HG PRO 510 1HG PRO 510 -6.603 8.372 -2.573 68 2HG PRO 510 2HG PRO 510 -7.409 7.059 -3.449 69 1HD PRO 510 1HD PRO 510 -7.569 7.425 -0.722 70 2HD PRO 510 2HD PRO 510 -7.790 5.865 -1.542 71 H VAL 511 H VAL 511 -5.367 8.214 0.021 72 HA VAL 511 HA VAL 511 -2.827 9.687 0.038 73 HB VAL 511 HB VAL 511 -5.562 10.972 -0.433 74 1HG1 VAL 511 1HG1 VAL 511 -4.384 13.110 -0.421 75 2HG1 VAL 511 2HG1 VAL 511 -2.908 12.262 0.064 76 3HG1 VAL 511 3HG1 VAL 511 -4.299 12.282 1.137 77 1HG2 VAL 511 1HG2 VAL 511 -4.739 11.768 -2.490 78 2HG2 VAL 511 2HG2 VAL 511 -4.341 10.032 -2.443 79 3HG2 VAL 511 3HG2 VAL 511 -3.108 11.259 -2.096 80 H THR 512 H THR 512 -2.337 10.400 2.011 81 HA THR 512 HA THR 512 -4.435 10.600 3.977 82 HB THR 512 HB THR 512 -3.412 8.234 4.057 83 HG1 THR 512 HG1 THR 512 -4.421 8.723 5.730 84 1HG2 THR 512 1HG2 THR 512 -1.093 8.840 3.661 85 2HG2 THR 512 2HG2 THR 512 -1.249 7.987 5.211 86 3HG2 THR 512 3HG2 THR 512 -1.043 9.735 5.179 87 H HIS 513 H HIS 513 -4.025 12.311 5.362 88 HA HIS 513 HA HIS 513 -1.447 13.669 5.021 89 1HB HIS 513 1HB HIS 513 -4.147 14.785 5.819 90 2HB HIS 513 2HB HIS 513 -2.652 15.684 6.028 91 HD1 HIS 513 HD1 HIS 513 -2.362 17.365 4.175 92 HD2 HIS 513 HD2 HIS 513 -4.283 13.883 2.899 93 HE1 HIS 513 HE1 HIS 513 -2.912 17.706 1.740 94 H VAL 514 H VAL 514 -0.135 13.859 6.652 95 HA VAL 514 HA VAL 514 -1.091 13.004 9.288 96 HB VAL 514 HB VAL 514 0.949 11.709 9.649 97 1HG1 VAL 514 1HG1 VAL 514 0.582 9.836 8.085 98 2HG1 VAL 514 2HG1 VAL 514 -0.441 10.881 7.107 99 3HG1 VAL 514 3HG1 VAL 514 -0.924 10.467 8.754 100 1HG2 VAL 514 1HG2 VAL 514 1.662 12.389 6.793 101 2HG2 VAL 514 2HG2 VAL 514 2.537 11.243 7.802 102 3HG2 VAL 514 3HG2 VAL 514 2.488 12.957 8.240 103 H SER 515 H SER 515 0.368 13.674 11.013 104 HA SER 515 HA SER 515 1.294 16.359 10.500 105 1HB SER 515 1HB SER 515 -0.072 15.817 12.514 106 2HB SER 515 2HB SER 515 1.208 14.747 13.064 107 HG SER 515 HG SER 515 0.997 17.279 13.576 108 H GLU 516 H GLU 516 3.380 16.978 11.263 109 HA GLU 516 HA GLU 516 5.333 14.898 10.692 110 1HB GLU 516 1HB GLU 516 5.336 17.078 9.453 111 2HB GLU 516 2HB GLU 516 5.761 17.858 10.965 112 1HG GLU 516 1HG GLU 516 7.814 16.564 11.075 113 2HG GLU 516 2HG GLU 516 7.389 15.760 9.563 114 H SER 517 H SER 517 3.894 16.490 13.308 115 HA SER 517 HA SER 517 6.217 16.258 15.041 116 1HB SER 517 1HB SER 517 3.396 17.231 15.588 117 2HB SER 517 2HB SER 517 4.740 17.305 16.730 118 HG SER 517 HG SER 517 5.122 19.137 15.872 119 H ILE 518 H ILE 518 4.372 14.132 13.763 120 HA ILE 518 HA ILE 518 3.402 12.645 16.067 121 HB ILE 518 HB ILE 518 2.173 12.979 13.815 122 1HG1 ILE 518 1HG1 ILE 518 2.500 10.126 14.687 123 2HG1 ILE 518 2HG1 ILE 518 1.565 11.315 15.608 124 1HG2 ILE 518 1HG2 ILE 518 4.107 10.820 12.981 125 2HG2 ILE 518 2HG2 ILE 518 4.005 12.452 12.315 126 3HG2 ILE 518 3HG2 ILE 518 2.678 11.316 12.073 127 1HD1 ILE 518 1HD1 ILE 518 0.213 11.678 13.603 128 2HD1 ILE 518 2HD1 ILE 518 0.100 10.039 14.271 129 3HD1 ILE 518 3HD1 ILE 518 1.079 10.351 12.818 130 H GLY 519 H GLY 519 4.156 10.394 16.360 131 1HA GLY 519 1HA GLY 519 6.999 10.164 15.805 132 2HA GLY 519 2HA GLY 519 6.008 9.129 16.837 133 H ILE 520 H ILE 520 4.143 8.144 15.448 134 HA ILE 520 HA ILE 520 5.321 6.868 13.072 135 HB ILE 520 HB ILE 520 3.711 5.537 15.286 136 1HG1 ILE 520 1HG1 ILE 520 6.080 5.855 15.904 137 2HG1 ILE 520 2HG1 ILE 520 5.674 4.154 15.713 138 1HG2 ILE 520 1HG2 ILE 520 4.770 4.329 12.740 139 2HG2 ILE 520 2HG2 ILE 520 3.079 4.624 13.141 140 3HG2 ILE 520 3HG2 ILE 520 4.007 3.437 14.058 141 1HD1 ILE 520 1HD1 ILE 520 7.842 4.589 14.758 142 2HD1 ILE 520 2HD1 ILE 520 7.165 5.899 13.796 143 3HD1 ILE 520 3HD1 ILE 520 6.698 4.240 13.446 144 H MET 521 H MET 521 3.948 6.808 11.383 145 HA MET 521 HA MET 521 1.128 7.283 11.975 146 1HB MET 521 1HB MET 521 0.790 8.227 9.724 147 2HB MET 521 2HB MET 521 2.051 9.117 10.547 148 1HG MET 521 1HG MET 521 2.774 8.944 8.337 149 2HG MET 521 2HG MET 521 3.673 7.677 9.164 150 1HE MET 521 1HE MET 521 2.939 6.301 5.488 151 2HE MET 521 2HE MET 521 4.170 6.972 6.558 152 3HE MET 521 3HE MET 521 2.958 8.011 5.837 153 H GLU 522 H GLU 522 -0.339 5.813 11.386 154 HA GLU 522 HA GLU 522 0.790 3.367 10.218 155 1HB GLU 522 1HB GLU 522 -1.577 3.511 12.081 156 2HB GLU 522 2HB GLU 522 -0.716 2.087 11.551 157 1HG GLU 522 1HG GLU 522 -0.053 2.353 13.762 158 2HG GLU 522 2HG GLU 522 1.277 3.067 12.854 159 H VAL 523 H VAL 523 -0.175 2.716 8.403 160 HA VAL 523 HA VAL 523 -2.844 3.814 7.775 161 HB VAL 523 HB VAL 523 -0.775 2.976 5.744 162 1HG1 VAL 523 1HG1 VAL 523 -3.312 4.583 5.456 163 2HG1 VAL 523 2HG1 VAL 523 -3.064 2.923 4.924 164 3HG1 VAL 523 3HG1 VAL 523 -2.170 4.235 4.159 165 1HG2 VAL 523 1HG2 VAL 523 -0.391 5.393 5.384 166 2HG2 VAL 523 2HG2 VAL 523 0.149 4.795 6.942 167 3HG2 VAL 523 3HG2 VAL 523 -1.352 5.728 6.830 168 H LYS 524 H LYS 524 -4.389 2.416 7.206 169 HA LYS 524 HA LYS 524 -3.923 -0.370 7.670 170 1HB LYS 524 1HB LYS 524 -6.386 1.245 7.146 171 2HB LYS 524 2HB LYS 524 -6.426 -0.507 7.244 172 1HG LYS 524 1HG LYS 524 -5.274 1.177 9.432 173 2HG LYS 524 2HG LYS 524 -6.992 0.759 9.379 174 1HD LYS 524 1HD LYS 524 -6.430 -1.596 9.399 175 2HD LYS 524 2HD LYS 524 -4.711 -1.226 9.355 176 1HE LYS 524 1HE LYS 524 -5.553 -1.893 11.535 177 2HE LYS 524 2HE LYS 524 -4.809 -0.290 11.557 178 1HZ LYS 524 1HZ LYS 524 -6.841 -0.322 12.850 179 2HZ LYS 524 2HZ LYS 524 -7.722 -0.918 11.541 180 3HZ LYS 524 3HZ LYS 524 -7.103 0.634 11.487 181 H VAL 525 H VAL 525 -3.710 -1.884 6.370 182 HA VAL 525 HA VAL 525 -4.160 -1.588 3.447 183 HB VAL 525 HB VAL 525 -2.659 -3.824 4.707 184 1HG1 VAL 525 1HG1 VAL 525 -1.404 -3.840 2.592 185 2HG1 VAL 525 2HG1 VAL 525 -2.387 -2.485 2.036 186 3HG1 VAL 525 3HG1 VAL 525 -3.145 -4.041 2.379 187 1HG2 VAL 525 1HG2 VAL 525 -1.415 -1.148 4.132 188 2HG2 VAL 525 2HG2 VAL 525 -0.537 -2.640 4.516 189 3HG2 VAL 525 3HG2 VAL 525 -1.631 -1.930 5.701 190 H LEU 526 H LEU 526 -5.662 -3.009 2.593 191 HA LEU 526 HA LEU 526 -7.044 -4.665 4.518 192 1HB LEU 526 1HB LEU 526 -7.724 -4.112 1.619 193 2HB LEU 526 2HB LEU 526 -8.701 -5.032 2.742 194 HG LEU 526 HG LEU 526 -9.748 -2.921 2.573 195 1HD1 LEU 526 1HD1 LEU 526 -8.121 -2.819 5.081 196 2HD1 LEU 526 2HD1 LEU 526 -9.643 -3.680 4.852 197 3HD1 LEU 526 3HD1 LEU 526 -9.597 -1.916 4.759 198 1HD2 LEU 526 1HD2 LEU 526 -7.974 -1.684 1.499 199 2HD2 LEU 526 2HD2 LEU 526 -7.079 -1.622 3.017 200 3HD2 LEU 526 3HD2 LEU 526 -8.624 -0.787 2.869 201 H ARG 527 H ARG 527 -7.213 -6.853 4.432 202 HA ARG 527 HA ARG 527 -4.969 -8.154 3.123 203 1HB ARG 527 1HB ARG 527 -5.563 -8.604 5.550 204 2HB ARG 527 2HB ARG 527 -7.002 -9.434 4.974 205 1HG ARG 527 1HG ARG 527 -5.526 -10.958 3.667 206 2HG ARG 527 2HG ARG 527 -4.133 -10.214 4.434 207 1HD ARG 527 1HD ARG 527 -4.567 -12.209 5.600 208 2HD ARG 527 2HD ARG 527 -5.151 -10.922 6.639 209 HE ARG 527 HE ARG 527 -7.337 -11.742 5.156 210 1HH1 ARG 527 1HH1 ARG 527 -5.184 -13.187 7.590 211 2HH1 ARG 527 2HH1 ARG 527 -6.247 -14.457 7.976 212 1HH2 ARG 527 1HH2 ARG 527 -8.788 -13.508 5.709 213 2HH2 ARG 527 2HH2 ARG 527 -8.303 -14.642 6.884 214 H THR 528 H THR 528 -5.171 -10.045 1.941 215 HA THR 528 HA THR 528 -7.026 -10.267 -0.081 216 HB THR 528 HB THR 528 -4.867 -11.265 -0.295 217 HG1 THR 528 HG1 THR 528 -5.500 -13.533 -0.770 218 1HG2 THR 528 1HG2 THR 528 -4.185 -13.245 1.045 219 2HG2 THR 528 2HG2 THR 528 -5.639 -13.013 2.026 220 3HG2 THR 528 3HG2 THR 528 -4.378 -11.781 2.013 221 H SER 529 H SER 529 -8.538 -11.954 -0.492 222 HA SER 529 HA SER 529 -10.237 -12.601 1.752 223 1HB SER 529 1HB SER 529 -11.152 -11.649 -0.356 224 2HB SER 529 2HB SER 529 -10.563 -13.061 -1.224 225 HG SER 529 HG SER 529 -11.944 -14.150 0.572 226 H GLY 530 H GLY 530 -7.630 -13.985 0.169 227 1HA GLY 530 1HA GLY 530 -8.384 -16.656 1.103 228 2HA GLY 530 2HA GLY 530 -7.623 -16.425 -0.472 229 H ALA 531 H ALA 531 -7.026 -17.075 2.713 230 HA ALA 531 HA ALA 531 -4.218 -16.648 2.453 231 1HB ALA 531 1HB ALA 531 -4.849 -14.403 3.191 232 2HB ALA 531 2HB ALA 531 -3.974 -15.246 4.467 233 3HB ALA 531 3HB ALA 531 -5.729 -15.086 4.558 234 H ARG 532 H ARG 532 -4.098 -18.754 2.766 235 HA ARG 532 HA ARG 532 -4.969 -19.822 5.359 236 1HB ARG 532 1HB ARG 532 -4.796 -21.994 4.322 237 2HB ARG 532 2HB ARG 532 -6.032 -20.979 3.601 238 1HG ARG 532 1HG ARG 532 -5.093 -22.061 1.870 239 2HG ARG 532 2HG ARG 532 -4.281 -20.486 1.818 240 1HD ARG 532 1HD ARG 532 -2.383 -21.333 2.889 241 2HD ARG 532 2HD ARG 532 -3.184 -22.830 3.298 242 HE ARG 532 HE ARG 532 -1.785 -22.087 0.851 243 1HH1 ARG 532 1HH1 ARG 532 -4.245 -24.371 2.036 244 2HH1 ARG 532 2HH1 ARG 532 -3.872 -25.549 0.867 245 1HH2 ARG 532 1HH2 ARG 532 -1.254 -23.751 -0.639 246 2HH2 ARG 532 2HH2 ARG 532 -2.166 -25.201 -0.681 247 H GLY 533 H GLY 533 -2.612 -18.184 4.924 248 1HA GLY 533 1HA GLY 533 -0.756 -19.663 6.301 249 2HA GLY 533 2HA GLY 533 -0.344 -19.731 4.587 250 H ASN 534 H ASN 534 1.575 -18.549 5.417 251 HA ASN 534 HA ASN 534 1.225 -15.790 6.214 252 1HB ASN 534 1HB ASN 534 2.918 -17.199 7.277 253 2HB ASN 534 2HB ASN 534 3.703 -17.473 5.732 254 1HD2 ASN 534 1HD2 ASN 534 2.463 -14.338 6.879 255 2HD2 ASN 534 2HD2 ASN 534 4.001 -13.625 7.050 256 H VAL 535 H VAL 535 1.453 -14.056 4.912 257 HA VAL 535 HA VAL 535 2.463 -14.443 2.198 258 HB VAL 535 HB VAL 535 0.059 -12.742 2.974 259 1HG1 VAL 535 1HG1 VAL 535 1.296 -13.230 0.254 260 2HG1 VAL 535 2HG1 VAL 535 1.342 -11.713 1.149 261 3HG1 VAL 535 3HG1 VAL 535 -0.188 -12.331 0.544 262 1HG2 VAL 535 1HG2 VAL 535 -1.193 -14.315 1.491 263 2HG2 VAL 535 2HG2 VAL 535 -0.551 -15.051 2.970 264 3HG2 VAL 535 3HG2 VAL 535 0.281 -15.295 1.435 265 H ILE 536 H ILE 536 4.019 -13.116 1.779 266 HA ILE 536 HA ILE 536 4.508 -10.895 3.606 267 HB ILE 536 HB ILE 536 6.293 -12.418 1.721 268 1HG1 ILE 536 1HG1 ILE 536 6.006 -13.383 3.939 269 2HG1 ILE 536 2HG1 ILE 536 7.657 -12.815 3.725 270 1HG2 ILE 536 1HG2 ILE 536 6.924 -9.816 3.035 271 2HG2 ILE 536 2HG2 ILE 536 6.911 -10.171 1.304 272 3HG2 ILE 536 3HG2 ILE 536 8.147 -10.884 2.348 273 1HD1 ILE 536 1HD1 ILE 536 5.477 -11.441 5.301 274 2HD1 ILE 536 2HD1 ILE 536 7.099 -10.805 5.043 275 3HD1 ILE 536 3HD1 ILE 536 6.874 -12.298 5.949 276 H VAL 537 H VAL 537 4.186 -8.906 3.015 277 HA VAL 537 HA VAL 537 3.952 -8.338 0.146 278 HB VAL 537 HB VAL 537 2.628 -6.804 2.405 279 1HG1 VAL 537 1HG1 VAL 537 1.361 -5.698 0.622 280 2HG1 VAL 537 2HG1 VAL 537 2.276 -6.604 -0.580 281 3HG1 VAL 537 3HG1 VAL 537 3.098 -5.434 0.455 282 1HG2 VAL 537 1HG2 VAL 537 1.446 -8.783 0.482 283 2HG2 VAL 537 2HG2 VAL 537 0.510 -7.779 1.589 284 3HG2 VAL 537 3HG2 VAL 537 1.622 -9.001 2.217 285 HA PRO 538 HA PRO 538 7.603 -5.942 1.394 286 1HB PRO 538 1HB PRO 538 8.519 -5.566 -1.142 287 2HB PRO 538 2HB PRO 538 8.828 -7.050 -0.232 288 1HG PRO 538 1HG PRO 538 6.822 -6.515 -2.373 289 2HG PRO 538 2HG PRO 538 7.783 -7.972 -2.075 290 1HD PRO 538 1HD PRO 538 5.162 -7.710 -1.378 291 2HD PRO 538 2HD PRO 538 6.294 -8.783 -0.535 292 H TYR 539 H TYR 539 7.894 -3.737 1.425 293 HA TYR 539 HA TYR 539 6.406 -2.108 -0.459 294 1HB TYR 539 1HB TYR 539 5.306 -0.775 1.238 295 2HB TYR 539 2HB TYR 539 4.899 -2.468 1.484 296 HD1 TYR 539 HD1 TYR 539 5.600 -3.637 3.449 297 HD2 TYR 539 HD2 TYR 539 6.753 0.398 2.841 298 HE1 TYR 539 HE1 TYR 539 6.277 -3.477 5.803 299 HE2 TYR 539 HE2 TYR 539 7.444 0.568 5.182 300 HH TYR 539 HH TYR 539 7.196 -0.436 7.231 301 H LYS 540 H LYS 540 6.998 0.206 -0.158 302 HA LYS 540 HA LYS 540 9.355 0.788 1.333 303 1HB LYS 540 1HB LYS 540 10.861 1.299 -0.447 304 2HB LYS 540 2HB LYS 540 10.283 -0.327 -0.738 305 1HG LYS 540 1HG LYS 540 9.357 2.165 -2.164 306 2HG LYS 540 2HG LYS 540 10.486 0.980 -2.799 307 1HD LYS 540 1HD LYS 540 8.677 -0.721 -2.620 308 2HD LYS 540 2HD LYS 540 7.595 0.583 -2.125 309 1HE LYS 540 1HE LYS 540 7.262 0.232 -4.486 310 2HE LYS 540 2HE LYS 540 8.138 1.747 -4.246 311 1HZ LYS 540 1HZ LYS 540 9.389 -0.836 -5.041 312 2HZ LYS 540 2HZ LYS 540 10.191 0.634 -4.807 313 3HZ LYS 540 3HZ LYS 540 9.080 0.489 -6.040 314 H THR 541 H THR 541 9.858 2.978 1.300 315 HA THR 541 HA THR 541 7.641 4.713 0.681 316 HB THR 541 HB THR 541 9.269 6.369 1.808 317 HG1 THR 541 HG1 THR 541 11.173 5.158 1.828 318 1HG2 THR 541 1HG2 THR 541 8.094 4.064 3.367 319 2HG2 THR 541 2HG2 THR 541 7.246 5.539 2.898 320 3HG2 THR 541 3HG2 THR 541 8.576 5.614 4.053 321 H ILE 542 H ILE 542 7.633 5.530 -1.339 322 HA ILE 542 HA ILE 542 10.090 6.019 -2.746 323 HB ILE 542 HB ILE 542 7.264 6.954 -3.392 324 1HG1 ILE 542 1HG1 ILE 542 7.502 5.333 -5.372 325 2HG1 ILE 542 2HG1 ILE 542 8.881 4.666 -4.515 326 1HG2 ILE 542 1HG2 ILE 542 9.735 7.178 -5.089 327 2HG2 ILE 542 2HG2 ILE 542 8.838 8.498 -4.345 328 3HG2 ILE 542 3HG2 ILE 542 8.096 7.541 -5.631 329 1HD1 ILE 542 1HD1 ILE 542 6.078 4.800 -3.478 330 2HD1 ILE 542 2HD1 ILE 542 7.448 4.022 -2.678 331 3HD1 ILE 542 3HD1 ILE 542 6.823 3.380 -4.206 332 H GLU 543 H GLU 543 11.272 7.792 -2.309 333 HA GLU 543 HA GLU 543 10.671 9.496 -0.219 334 1HB GLU 543 1HB GLU 543 12.678 9.840 -2.433 335 2HB GLU 543 2HB GLU 543 12.600 10.875 -1.011 336 1HG GLU 543 1HG GLU 543 12.962 8.923 0.415 337 2HG GLU 543 2HG GLU 543 13.092 7.905 -1.016 338 H GLY 544 H GLY 544 10.344 10.117 -3.653 339 1HA GLY 544 1HA GLY 544 8.934 11.559 -4.772 340 2HA GLY 544 2HA GLY 544 8.090 11.806 -3.251 341 H THR 545 H THR 545 8.705 13.463 -1.916 342 HA THR 545 HA THR 545 10.762 15.267 -2.884 343 HB THR 545 HB THR 545 8.752 16.213 -3.847 344 HG1 THR 545 HG1 THR 545 9.953 17.536 -1.730 345 1HG2 THR 545 1HG2 THR 545 6.833 16.942 -2.459 346 2HG2 THR 545 2HG2 THR 545 7.584 16.159 -1.064 347 3HG2 THR 545 3HG2 THR 545 7.060 15.192 -2.438 348 H ALA 546 H ALA 546 10.275 13.334 -0.590 349 HA ALA 546 HA ALA 546 11.034 15.199 1.555 350 1HB ALA 546 1HB ALA 546 9.707 12.486 1.745 351 2HB ALA 546 2HB ALA 546 8.936 14.033 2.078 352 3HB ALA 546 3HB ALA 546 10.234 13.452 3.120 353 H ARG 547 H ARG 547 12.636 14.117 3.106 354 HA ARG 547 HA ARG 547 14.494 12.532 1.488 355 1HB ARG 547 1HB ARG 547 14.886 14.184 3.889 356 2HB ARG 547 2HB ARG 547 15.956 12.807 3.660 357 1HG ARG 547 1HG ARG 547 17.056 14.691 2.786 358 2HG ARG 547 2HG ARG 547 16.454 13.748 1.416 359 1HD ARG 547 1HD ARG 547 16.169 16.152 1.230 360 2HD ARG 547 2HD ARG 547 14.658 15.189 1.115 361 HE ARG 547 HE ARG 547 14.175 15.894 3.414 362 1HH1 ARG 547 1HH1 ARG 547 16.586 17.894 1.729 363 2HH1 ARG 547 2HH1 ARG 547 16.378 19.203 2.809 364 1HH2 ARG 547 1HH2 ARG 547 13.917 17.572 4.763 365 2HH2 ARG 547 2HH2 ARG 547 14.825 19.035 4.627 366 H GLY 548 H GLY 548 14.462 10.566 1.548 367 1HA GLY 548 1HA GLY 548 13.463 9.134 3.903 368 2HA GLY 548 2HA GLY 548 13.708 8.441 2.302 369 H GLY 549 H GLY 549 14.947 8.753 5.338 370 1HA GLY 549 1HA GLY 549 17.022 7.059 5.177 371 2HA GLY 549 2HA GLY 549 17.715 8.515 4.494 372 H GLY 550 H GLY 550 15.408 9.332 6.844 373 1HA GLY 550 1HA GLY 550 15.776 9.334 9.197 374 2HA GLY 550 2HA GLY 550 17.500 9.313 8.880 375 H GLU 551 H GLU 551 16.136 11.458 6.723 376 HA GLU 551 HA GLU 551 17.032 13.723 8.301 377 1HB GLU 551 1HB GLU 551 15.696 13.671 5.609 378 2HB GLU 551 2HB GLU 551 16.472 15.059 6.344 379 1HG GLU 551 1HG GLU 551 17.798 12.535 5.421 380 2HG GLU 551 2HG GLU 551 17.805 14.103 4.605 381 H ASP 552 H ASP 552 14.107 13.257 6.387 382 HA ASP 552 HA ASP 552 12.606 14.697 8.460 383 1HB ASP 552 1HB ASP 552 11.576 13.953 5.703 384 2HB ASP 552 2HB ASP 552 10.904 15.129 6.813 385 H PHE 553 H PHE 553 12.688 11.693 6.581 386 HA PHE 553 HA PHE 553 11.087 10.547 8.681 387 1HB PHE 553 1HB PHE 553 9.529 9.473 7.244 388 2HB PHE 553 2HB PHE 553 9.579 11.145 6.733 389 HD1 PHE 553 HD1 PHE 553 10.695 11.729 4.576 390 HD2 PHE 553 HD2 PHE 553 10.148 7.711 5.823 391 HE1 PHE 553 HE1 PHE 553 11.040 10.951 2.256 392 HE2 PHE 553 HE2 PHE 553 10.499 6.933 3.541 393 HZ PHE 553 HZ PHE 553 10.936 8.550 1.739 394 H GLU 554 H GLU 554 11.187 8.242 8.651 395 HA GLU 554 HA GLU 554 13.859 7.319 8.068 396 1HB GLU 554 1HB GLU 554 12.475 7.100 10.243 397 2HB GLU 554 2HB GLU 554 11.563 5.888 9.398 398 1HG GLU 554 1HG GLU 554 14.514 5.760 9.965 399 2HG GLU 554 2HG GLU 554 13.262 5.020 10.946 400 H ASP 555 H ASP 555 14.192 6.248 6.185 401 HA ASP 555 HA ASP 555 12.122 5.696 4.305 402 1HB ASP 555 1HB ASP 555 14.379 6.311 3.560 403 2HB ASP 555 2HB ASP 555 15.043 4.873 4.318 404 H THR 556 H THR 556 10.722 4.165 4.806 405 HA THR 556 HA THR 556 11.808 1.745 5.945 406 HB THR 556 HB THR 556 10.126 2.788 7.371 407 HG1 THR 556 HG1 THR 556 9.943 0.789 7.793 408 1HG2 THR 556 1HG2 THR 556 7.743 2.752 6.687 409 2HG2 THR 556 2HG2 THR 556 8.274 2.458 5.016 410 3HG2 THR 556 3HG2 THR 556 8.723 3.949 5.844 411 H CYS 557 H CYS 557 12.248 0.286 4.650 412 HA CYS 557 HA CYS 557 10.361 -0.447 2.595 413 1HB CYS 557 1HB CYS 557 12.503 -1.026 1.250 414 2HB CYS 557 2HB CYS 557 11.944 0.646 1.276 415 HG CYS 557 HG CYS 557 13.971 1.706 2.474 416 H GLY 558 H GLY 558 9.604 -2.210 3.504 417 1HA GLY 558 1HA GLY 558 11.438 -4.302 4.195 418 2HA GLY 558 2HA GLY 558 10.410 -3.681 5.484 419 H GLU 559 H GLU 559 9.318 -5.586 5.673 420 HA GLU 559 HA GLU 559 7.552 -6.261 3.424 421 1HB GLU 559 1HB GLU 559 9.309 -7.987 5.080 422 2HB GLU 559 2HB GLU 559 8.008 -8.653 4.090 423 1HG GLU 559 1HG GLU 559 9.115 -7.913 2.092 424 2HG GLU 559 2HG GLU 559 10.276 -6.970 3.024 425 H LEU 560 H LEU 560 5.498 -6.293 4.070 426 HA LEU 560 HA LEU 560 4.802 -6.305 6.869 427 1HB LEU 560 1HB LEU 560 3.109 -6.253 4.379 428 2HB LEU 560 2HB LEU 560 2.448 -6.238 5.996 429 HG LEU 560 HG LEU 560 4.209 -4.091 4.813 430 1HD1 LEU 560 1HD1 LEU 560 2.013 -4.168 3.770 431 2HD1 LEU 560 2HD1 LEU 560 2.198 -2.750 4.806 432 3HD1 LEU 560 3HD1 LEU 560 1.253 -4.132 5.366 433 1HD2 LEU 560 1HD2 LEU 560 4.467 -4.256 7.231 434 2HD2 LEU 560 2HD2 LEU 560 2.718 -4.219 7.430 435 3HD2 LEU 560 3HD2 LEU 560 3.563 -2.805 6.800 436 H GLU 561 H GLU 561 4.060 -7.964 7.994 437 HA GLU 561 HA GLU 561 4.050 -10.540 6.658 438 1HB GLU 561 1HB GLU 561 5.515 -10.301 8.611 439 2HB GLU 561 2HB GLU 561 4.131 -9.873 9.606 440 1HG GLU 561 1HG GLU 561 3.179 -12.099 9.248 441 2HG GLU 561 2HG GLU 561 4.556 -12.500 8.222 442 H PHE 562 H PHE 562 2.069 -10.738 5.733 443 HA PHE 562 HA PHE 562 -0.277 -10.602 7.478 444 1HB PHE 562 1HB PHE 562 0.043 -11.024 4.503 445 2HB PHE 562 2HB PHE 562 -1.480 -11.279 5.335 446 HD1 PHE 562 HD1 PHE 562 0.994 -8.792 4.285 447 HD2 PHE 562 HD2 PHE 562 -2.832 -9.457 6.003 448 HE1 PHE 562 HE1 PHE 562 0.419 -6.435 3.898 449 HE2 PHE 562 HE2 PHE 562 -3.420 -7.100 5.616 450 HZ PHE 562 HZ PHE 562 -1.786 -5.589 4.558 451 H GLN 563 H GLN 563 -1.552 -12.540 7.717 452 HA GLN 563 HA GLN 563 -0.485 -14.957 6.723 453 1HB GLN 563 1HB GLN 563 -0.217 -15.885 9.149 454 2HB GLN 563 2HB GLN 563 1.102 -15.000 8.409 455 1HG GLN 563 1HG GLN 563 0.552 -13.038 9.599 456 2HG GLN 563 2HG GLN 563 -0.918 -13.767 10.262 457 1HE2 GLN 563 1HE2 GLN 563 2.178 -15.462 10.028 458 2HE2 GLN 563 2HE2 GLN 563 2.445 -15.502 11.714 459 H ASN 564 H ASN 564 -1.607 -16.828 7.856 460 HA ASN 564 HA ASN 564 -4.260 -16.822 7.093 461 1HB ASN 564 1HB ASN 564 -2.915 -18.831 7.402 462 2HB ASN 564 2HB ASN 564 -2.854 -18.542 9.130 463 1HD2 ASN 564 1HD2 ASN 564 -3.773 -20.448 9.675 464 2HD2 ASN 564 2HD2 ASN 564 -5.425 -20.833 9.361 465 H ASP 565 H ASP 565 -2.902 -16.502 10.260 466 HA ASP 565 HA ASP 565 -5.520 -16.030 11.469 467 1HB ASP 565 1HB ASP 565 -2.816 -16.429 12.716 468 2HB ASP 565 2HB ASP 565 -4.199 -15.892 13.656 469 H GLU 566 H GLU 566 -3.662 -13.950 9.896 470 HA GLU 566 HA GLU 566 -4.217 -11.773 11.828 471 1HB GLU 566 1HB GLU 566 -1.787 -12.113 11.599 472 2HB GLU 566 2HB GLU 566 -1.947 -11.969 9.853 473 1HG GLU 566 1HG GLU 566 -1.047 -9.935 10.698 474 2HG GLU 566 2HG GLU 566 -2.680 -9.646 10.130 475 H ILE 567 H ILE 567 -5.652 -10.297 11.074 476 HA ILE 567 HA ILE 567 -5.873 -10.055 8.162 477 HB ILE 567 HB ILE 567 -8.094 -9.183 8.384 478 1HG1 ILE 567 1HG1 ILE 567 -8.268 -9.682 11.317 479 2HG1 ILE 567 2HG1 ILE 567 -7.441 -8.216 10.791 480 1HG2 ILE 567 1HG2 ILE 567 -7.731 -11.663 10.036 481 2HG2 ILE 567 2HG2 ILE 567 -7.933 -11.567 8.285 482 3HG2 ILE 567 3HG2 ILE 567 -9.261 -11.106 9.360 483 1HD1 ILE 567 1HD1 ILE 567 -9.811 -7.822 11.248 484 2HD1 ILE 567 2HD1 ILE 567 -10.232 -9.003 9.990 485 3HD1 ILE 567 3HD1 ILE 567 -9.344 -7.526 9.572 486 H VAL 568 H VAL 568 -6.436 -7.907 7.405 487 HA VAL 568 HA VAL 568 -5.597 -5.894 6.881 488 HB VAL 568 HB VAL 568 -7.412 -5.594 8.773 489 1HG1 VAL 568 1HG1 VAL 568 -6.014 -5.874 10.665 490 2HG1 VAL 568 2HG1 VAL 568 -6.767 -4.279 10.691 491 3HG1 VAL 568 3HG1 VAL 568 -5.069 -4.450 10.238 492 1HG2 VAL 568 1HG2 VAL 568 -7.310 -3.170 8.609 493 2HG2 VAL 568 2HG2 VAL 568 -7.011 -3.930 7.040 494 3HG2 VAL 568 3HG2 VAL 568 -5.671 -3.270 7.983 495 H LYS 569 H LYS 569 -3.960 -3.989 7.656 496 HA LYS 569 HA LYS 569 -2.010 -4.791 9.543 497 1HB LYS 569 1HB LYS 569 -1.458 -6.034 7.261 498 2HB LYS 569 2HB LYS 569 -0.895 -4.461 6.785 499 1HG LYS 569 1HG LYS 569 0.990 -5.778 7.483 500 2HG LYS 569 2HG LYS 569 0.748 -4.475 8.638 501 1HD LYS 569 1HD LYS 569 -0.504 -7.135 9.228 502 2HD LYS 569 2HD LYS 569 1.239 -6.997 9.403 503 1HE LYS 569 1HE LYS 569 0.932 -5.168 11.010 504 2HE LYS 569 2HE LYS 569 -0.806 -5.250 10.835 505 1HZ LYS 569 1HZ LYS 569 -0.785 -7.463 11.846 506 2HZ LYS 569 2HZ LYS 569 0.070 -6.393 12.817 507 3HZ LYS 569 3HZ LYS 569 0.895 -7.457 11.842 508 H THR 570 H THR 570 -0.197 -3.103 9.549 509 HA THR 570 HA THR 570 -1.108 -0.561 8.480 510 HB THR 570 HB THR 570 -0.074 0.329 10.660 511 HG1 THR 570 HG1 THR 570 -0.909 -2.057 11.842 512 1HG2 THR 570 1HG2 THR 570 -2.464 0.506 10.170 513 2HG2 THR 570 2HG2 THR 570 -2.218 0.114 11.874 514 3HG2 THR 570 3HG2 THR 570 -2.715 -1.143 10.740 515 H ILE 571 H ILE 571 0.536 0.583 7.572 516 HA ILE 571 HA ILE 571 3.242 -0.450 7.879 517 HB ILE 571 HB ILE 571 2.263 1.925 6.207 518 1HG1 ILE 571 1HG1 ILE 571 3.154 0.504 4.285 519 2HG1 ILE 571 2HG1 ILE 571 3.183 -0.838 5.415 520 1HG2 ILE 571 1HG2 ILE 571 5.039 0.765 6.370 521 2HG2 ILE 571 2HG2 ILE 571 4.514 2.294 7.061 522 3HG2 ILE 571 3HG2 ILE 571 4.509 2.074 5.308 523 1HD1 ILE 571 1HD1 ILE 571 0.799 -0.632 5.716 524 2HD1 ILE 571 2HD1 ILE 571 1.226 -0.857 4.018 525 3HD1 ILE 571 3HD1 ILE 571 0.772 0.746 4.613 526 H SER 572 H SER 572 4.366 0.206 9.601 527 HA SER 572 HA SER 572 3.653 2.727 10.803 528 1HB SER 572 1HB SER 572 5.222 1.864 12.626 529 2HB SER 572 2HB SER 572 3.746 0.937 12.373 530 HG SER 572 HG SER 572 5.963 -0.111 12.518 531 H VAL 573 H VAL 573 4.659 4.434 10.059 532 HA VAL 573 HA VAL 573 7.435 4.159 9.105 533 HB VAL 573 HB VAL 573 5.478 6.388 8.460 534 1HG1 VAL 573 1HG1 VAL 573 8.199 5.782 7.303 535 2HG1 VAL 573 2HG1 VAL 573 7.796 7.124 8.365 536 3HG1 VAL 573 3HG1 VAL 573 7.108 7.051 6.740 537 1HG2 VAL 573 1HG2 VAL 573 6.325 4.028 6.789 538 2HG2 VAL 573 2HG2 VAL 573 5.427 5.407 6.184 539 3HG2 VAL 573 3HG2 VAL 573 4.712 4.365 7.417 540 H LYS 574 H LYS 574 8.998 5.258 10.123 541 HA LYS 574 HA LYS 574 8.257 6.754 12.476 542 1HB LYS 574 1HB LYS 574 9.992 5.138 12.797 543 2HB LYS 574 2HB LYS 574 10.889 5.725 11.412 544 1HG LYS 574 1HG LYS 574 11.975 6.400 13.452 545 2HG LYS 574 2HG LYS 574 11.344 7.818 12.616 546 1HD LYS 574 1HD LYS 574 9.395 7.780 14.149 547 2HD LYS 574 2HD LYS 574 10.144 6.434 15.017 548 1HE LYS 574 1HE LYS 574 11.349 9.175 14.639 549 2HE LYS 574 2HE LYS 574 10.567 8.603 16.108 550 1HZ LYS 574 1HZ LYS 574 13.008 7.378 14.915 551 2HZ LYS 574 2HZ LYS 574 12.286 6.961 16.371 552 3HZ LYS 574 3HZ LYS 574 13.003 8.456 16.204 553 H VAL 575 H VAL 575 7.965 8.814 12.429 554 HA VAL 575 HA VAL 575 9.112 10.415 10.296 555 HB VAL 575 HB VAL 575 7.284 11.236 12.593 556 1HG1 VAL 575 1HG1 VAL 575 6.854 13.254 11.274 557 2HG1 VAL 575 2HG1 VAL 575 8.007 12.707 10.056 558 3HG1 VAL 575 3HG1 VAL 575 8.566 13.111 11.679 559 1HG2 VAL 575 1HG2 VAL 575 5.476 11.237 10.933 560 2HG2 VAL 575 2HG2 VAL 575 6.179 9.631 11.130 561 3HG2 VAL 575 3HG2 VAL 575 6.593 10.608 9.722 562 H ILE 576 H ILE 576 10.774 11.830 10.667 563 HA ILE 576 HA ILE 576 12.257 11.305 13.129 564 HB ILE 576 HB ILE 576 13.160 12.643 10.551 565 1HG1 ILE 576 1HG1 ILE 576 12.471 10.320 10.171 566 2HG1 ILE 576 2HG1 ILE 576 14.196 10.489 9.931 567 1HG2 ILE 576 1HG2 ILE 576 15.439 12.201 11.339 568 2HG2 ILE 576 2HG2 ILE 576 14.790 11.524 12.831 569 3HG2 ILE 576 3HG2 ILE 576 14.555 13.233 12.467 570 1HD1 ILE 576 1HD1 ILE 576 14.530 9.556 12.181 571 2HD1 ILE 576 2HD1 ILE 576 13.708 8.468 11.056 572 3HD1 ILE 576 3HD1 ILE 576 12.779 9.323 12.298 573 H ASP 577 H ASP 577 13.123 13.062 14.341 574 HA ASP 577 HA ASP 577 11.585 15.405 14.467 575 1HB ASP 577 1HB ASP 577 13.398 16.295 15.987 576 2HB ASP 577 2HB ASP 577 12.763 14.734 16.475 577 H ASP 578 H ASP 578 11.429 16.778 13.042 578 HA ASP 578 HA ASP 578 12.945 16.857 10.693 579 1HB ASP 578 1HB ASP 578 10.513 17.424 11.017 580 2HB ASP 578 2HB ASP 578 11.062 18.969 11.662 581 H GLU 579 H GLU 579 14.356 18.285 9.839 582 HA GLU 579 HA GLU 579 16.063 19.672 11.699 583 1HB GLU 579 1HB GLU 579 16.422 19.963 8.755 584 2HB GLU 579 2HB GLU 579 17.626 19.717 10.005 585 1HG GLU 579 1HG GLU 579 17.773 17.685 8.998 586 2HG GLU 579 2HG GLU 579 16.438 17.328 10.091 587 H GLU 580 H GLU 580 14.120 20.541 8.867 588 HA GLU 580 HA GLU 580 14.158 23.344 9.732 589 1HB GLU 580 1HB GLU 580 14.309 24.055 7.431 590 2HB GLU 580 2HB GLU 580 15.582 22.887 7.707 591 1HG GLU 580 1HG GLU 580 12.974 22.255 6.335 592 2HG GLU 580 2HG GLU 580 14.424 22.744 5.492 593 H TYR 581 H TYR 581 12.340 24.102 7.669 594 HA TYR 581 HA TYR 581 9.925 22.603 8.406 595 1HB TYR 581 1HB TYR 581 8.669 24.633 8.025 596 2HB TYR 581 2HB TYR 581 10.033 25.093 9.040 597 HD1 TYR 581 HD1 TYR 581 12.099 26.072 7.826 598 HD2 TYR 581 HD2 TYR 581 8.266 25.759 6.023 599 HE1 TYR 581 HE1 TYR 581 12.767 27.719 6.154 600 HE2 TYR 581 HE2 TYR 581 8.905 27.406 4.346 601 HH TYR 581 HH TYR 581 12.109 28.381 3.860 602 H GLU 582 H GLU 582 8.602 22.087 6.564 603 HA GLU 582 HA GLU 582 9.867 22.651 3.973 604 1HB GLU 582 1HB GLU 582 8.437 20.087 4.681 605 2HB GLU 582 2HB GLU 582 9.095 20.466 3.111 606 1HG GLU 582 1HG GLU 582 10.661 19.007 3.955 607 2HG GLU 582 2HG GLU 582 11.363 20.556 4.415 608 H LYS 583 H LYS 583 8.068 21.841 2.272 609 HA LYS 583 HA LYS 583 5.717 23.502 2.727 610 1HB LYS 583 1HB LYS 583 6.460 21.711 0.389 611 2HB LYS 583 2HB LYS 583 5.239 22.971 0.403 612 1HG LYS 583 1HG LYS 583 6.957 24.670 0.594 613 2HG LYS 583 2HG LYS 583 8.203 23.418 0.660 614 1HD LYS 583 1HD LYS 583 7.512 22.668 -1.587 615 2HD LYS 583 2HD LYS 583 6.333 23.977 -1.642 616 1HE LYS 583 1HE LYS 583 8.327 24.622 -2.860 617 2HE LYS 583 2HE LYS 583 8.158 25.607 -1.412 618 1HZ LYS 583 1HZ LYS 583 9.837 24.221 -0.319 619 2HZ LYS 583 2HZ LYS 583 10.454 24.883 -1.710 620 3HZ LYS 583 3HZ LYS 583 9.985 23.266 -1.691 621 H ASN 584 H ASN 584 3.919 21.889 1.290 622 HA ASN 584 HA ASN 584 3.380 19.807 3.227 623 1HB ASN 584 1HB ASN 584 1.892 20.852 0.820 624 2HB ASN 584 2HB ASN 584 1.290 19.489 1.783 625 1HD2 ASN 584 1HD2 ASN 584 0.315 19.959 3.779 626 2HD2 ASN 584 2HD2 ASN 584 0.025 21.559 4.316 627 H LYS 585 H LYS 585 5.186 18.575 2.782 628 HA LYS 585 HA LYS 585 5.563 17.685 0.051 629 1HB LYS 585 1HB LYS 585 7.791 17.428 0.500 630 2HB LYS 585 2HB LYS 585 7.427 18.446 1.858 631 1HG LYS 585 1HG LYS 585 7.588 15.446 1.929 632 2HG LYS 585 2HG LYS 585 8.896 16.525 2.404 633 1HD LYS 585 1HD LYS 585 6.200 16.179 3.715 634 2HD LYS 585 2HD LYS 585 7.779 15.612 4.301 635 1HE LYS 585 1HE LYS 585 8.539 17.908 4.572 636 2HE LYS 585 2HE LYS 585 7.015 18.514 3.922 637 1HZ LYS 585 1HZ LYS 585 6.943 18.696 6.273 638 2HZ LYS 585 2HZ LYS 585 7.448 17.157 6.541 639 3HZ LYS 585 3HZ LYS 585 5.904 17.453 5.846 640 H THR 586 H THR 586 6.241 15.244 -0.193 641 HA THR 586 HA THR 586 4.714 13.483 1.470 642 HB THR 586 HB THR 586 2.908 14.478 0.290 643 HG1 THR 586 HG1 THR 586 2.792 12.265 0.503 644 1HG2 THR 586 1HG2 THR 586 2.678 14.482 -2.145 645 2HG2 THR 586 2HG2 THR 586 4.324 13.854 -2.308 646 3HG2 THR 586 3HG2 THR 586 4.047 15.458 -1.615 647 H PHE 587 H PHE 587 4.896 11.493 1.179 648 HA PHE 587 HA PHE 587 6.750 10.541 -0.802 649 1HB PHE 587 1HB PHE 587 7.432 8.797 0.962 650 2HB PHE 587 2HB PHE 587 8.128 10.394 1.079 651 HD1 PHE 587 HD1 PHE 587 5.268 8.338 2.586 652 HD2 PHE 587 HD2 PHE 587 8.155 11.427 3.058 653 HE1 PHE 587 HE1 PHE 587 4.793 8.440 4.990 654 HE2 PHE 587 HE2 PHE 587 7.669 11.490 5.470 655 HZ PHE 587 HZ PHE 587 5.984 9.989 6.420 656 H PHE 588 H PHE 588 6.344 8.422 -1.445 657 HA PHE 588 HA PHE 588 3.476 7.840 -1.182 658 1HB PHE 588 1HB PHE 588 5.290 6.873 -3.397 659 2HB PHE 588 2HB PHE 588 3.538 6.896 -3.354 660 HD1 PHE 588 HD1 PHE 588 2.394 9.195 -3.240 661 HD2 PHE 588 HD2 PHE 588 6.446 8.613 -4.338 662 HE1 PHE 588 HE1 PHE 588 2.409 11.408 -4.327 663 HE2 PHE 588 HE2 PHE 588 6.478 10.825 -5.424 664 HZ PHE 588 HZ PHE 588 4.450 12.223 -5.412 665 H LEU 589 H LEU 589 2.931 6.005 -0.272 666 HA LEU 589 HA LEU 589 5.044 4.067 0.326 667 1HB LEU 589 1HB LEU 589 3.215 5.036 2.021 668 2HB LEU 589 2HB LEU 589 2.223 3.790 1.292 669 HG LEU 589 HG LEU 589 3.105 2.984 3.367 670 1HD1 LEU 589 1HD1 LEU 589 4.471 1.666 1.045 671 2HD1 LEU 589 2HD1 LEU 589 2.900 1.254 1.742 672 3HD1 LEU 589 3HD1 LEU 589 4.378 0.990 2.665 673 1HD2 LEU 589 1HD2 LEU 589 5.813 3.646 2.257 674 2HD2 LEU 589 2HD2 LEU 589 5.525 2.742 3.736 675 3HD2 LEU 589 3HD2 LEU 589 4.979 4.421 3.602 676 H GLU 590 H GLU 590 5.189 2.404 -0.999 677 HA GLU 590 HA GLU 590 2.772 1.573 -2.439 678 1HB GLU 590 1HB GLU 590 4.321 2.766 -3.934 679 2HB GLU 590 2HB GLU 590 5.597 1.644 -3.491 680 1HG GLU 590 1HG GLU 590 4.328 -0.193 -4.482 681 2HG GLU 590 2HG GLU 590 3.047 0.936 -4.924 682 H ILE 591 H ILE 591 2.282 -0.431 -2.198 683 HA ILE 591 HA ILE 591 4.229 -2.245 -1.045 684 HB ILE 591 HB ILE 591 2.259 -3.769 -0.695 685 1HG1 ILE 591 1HG1 ILE 591 0.637 -1.370 -1.586 686 2HG1 ILE 591 2HG1 ILE 591 0.786 -2.892 -2.455 687 1HG2 ILE 591 1HG2 ILE 591 2.997 -2.443 1.163 688 2HG2 ILE 591 2HG2 ILE 591 1.235 -2.474 1.168 689 3HG2 ILE 591 3HG2 ILE 591 2.090 -1.048 0.583 690 1HD1 ILE 591 1HD1 ILE 591 -0.466 -2.509 0.250 691 2HD1 ILE 591 2HD1 ILE 591 -0.353 -4.041 -0.619 692 3HD1 ILE 591 3HD1 ILE 591 -1.339 -2.723 -1.267 693 H GLY 592 H GLY 592 4.843 -4.041 -2.146 694 1HA GLY 592 1HA GLY 592 4.474 -3.821 -5.022 695 2HA GLY 592 2HA GLY 592 5.694 -4.772 -4.185 696 H GLU 593 H GLU 593 5.353 -6.618 -5.226 697 HA GLU 593 HA GLU 593 2.742 -7.764 -5.541 698 1HB GLU 593 1HB GLU 593 4.518 -7.997 -7.233 699 2HB GLU 593 2HB GLU 593 5.492 -8.875 -6.065 700 1HG GLU 593 1HG GLU 593 3.579 -10.532 -5.948 701 2HG GLU 593 2HG GLU 593 2.944 -9.697 -7.365 702 HA PRO 594 HA PRO 594 3.195 -9.772 -1.500 703 1HB PRO 594 1HB PRO 594 0.842 -11.173 -1.669 704 2HB PRO 594 2HB PRO 594 0.930 -9.499 -1.128 705 1HG PRO 594 1HG PRO 594 0.185 -10.588 -3.775 706 2HG PRO 594 2HG PRO 594 -0.514 -9.241 -2.861 707 1HD PRO 594 1HD PRO 594 1.170 -8.866 -4.955 708 2HD PRO 594 2HD PRO 594 1.134 -7.765 -3.584 709 H ARG 595 H ARG 595 3.646 -11.903 -0.866 710 HA ARG 595 HA ARG 595 3.657 -13.906 -2.978 711 1HB ARG 595 1HB ARG 595 5.990 -14.555 -2.366 712 2HB ARG 595 2HB ARG 595 5.874 -12.972 -3.112 713 1HG ARG 595 1HG ARG 595 5.989 -11.962 -0.840 714 2HG ARG 595 2HG ARG 595 6.257 -13.581 -0.192 715 1HD ARG 595 1HD ARG 595 8.360 -12.410 -0.457 716 2HD ARG 595 2HD ARG 595 8.284 -13.780 -1.567 717 HE ARG 595 HE ARG 595 7.451 -11.830 -3.146 718 1HH1 ARG 595 1HH1 ARG 595 10.188 -11.825 -0.904 719 2HH1 ARG 595 2HH1 ARG 595 11.148 -10.773 -1.820 720 1HH2 ARG 595 1HH2 ARG 595 8.711 -10.356 -4.409 721 2HH2 ARG 595 2HH2 ARG 595 10.257 -9.883 -3.887 722 H LEU 596 H LEU 596 3.148 -15.893 -2.310 723 HA LEU 596 HA LEU 596 2.238 -16.178 0.403 724 1HB LEU 596 1HB LEU 596 1.557 -17.319 -2.046 725 2HB LEU 596 2HB LEU 596 2.426 -18.602 -1.239 726 HG LEU 596 HG LEU 596 0.218 -19.049 -0.755 727 1HD1 LEU 596 1HD1 LEU 596 1.519 -19.143 1.282 728 2HD1 LEU 596 2HD1 LEU 596 -0.152 -18.695 1.604 729 3HD1 LEU 596 3HD1 LEU 596 1.110 -17.466 1.633 730 1HD2 LEU 596 1HD2 LEU 596 -1.424 -17.360 0.021 731 2HD2 LEU 596 2HD2 LEU 596 -0.830 -17.102 -1.613 732 3HD2 LEU 596 3HD2 LEU 596 -0.220 -16.106 -0.296 733 H VAL 597 H VAL 597 3.408 -17.150 1.975 734 HA VAL 597 HA VAL 597 6.123 -17.929 1.279 735 HB VAL 597 HB VAL 597 4.907 -17.659 4.048 736 1HG1 VAL 597 1HG1 VAL 597 7.785 -17.547 3.147 737 2HG1 VAL 597 2HG1 VAL 597 7.015 -18.876 4.015 738 3HG1 VAL 597 3HG1 VAL 597 7.215 -17.308 4.803 739 1HG2 VAL 597 1HG2 VAL 597 4.639 -15.562 2.860 740 2HG2 VAL 597 2HG2 VAL 597 6.355 -15.563 2.440 741 3HG2 VAL 597 3HG2 VAL 597 5.856 -15.418 4.128 742 H GLU 598 H GLU 598 3.545 -19.571 0.906 743 HA GLU 598 HA GLU 598 4.138 -21.838 2.519 744 1HB GLU 598 1HB GLU 598 2.427 -23.054 1.282 745 2HB GLU 598 2HB GLU 598 1.819 -21.564 1.985 746 1HG GLU 598 1HG GLU 598 1.881 -20.503 -0.207 747 2HG GLU 598 2HG GLU 598 2.557 -21.980 -0.894 748 H MET 599 H MET 599 6.113 -22.302 2.123 749 HA MET 599 HA MET 599 6.806 -23.132 -0.576 750 1HB MET 599 1HB MET 599 8.682 -22.657 1.750 751 2HB MET 599 2HB MET 599 9.169 -23.116 0.126 752 1HG MET 599 1HG MET 599 7.929 -20.524 1.015 753 2HG MET 599 2HG MET 599 9.549 -20.777 0.377 754 1HE MET 599 1HE MET 599 8.707 -21.686 -3.409 755 2HE MET 599 2HE MET 599 8.800 -22.839 -2.082 756 3HE MET 599 3HE MET 599 9.994 -21.542 -2.207 757 H SER 600 H SER 600 5.611 -24.886 -0.475 758 HA SER 600 HA SER 600 6.312 -26.989 1.387 759 1HB SER 600 1HB SER 600 3.924 -26.448 0.835 760 2HB SER 600 2HB SER 600 4.253 -26.905 -0.830 761 HG SER 600 HG SER 600 4.341 -28.526 1.476 762 H GLU 601 H GLU 601 6.583 -26.010 -1.961 763 HA GLU 601 HA GLU 601 7.532 -26.800 -3.794 764 1HB GLU 601 1HB GLU 601 9.600 -26.635 -2.351 765 2HB GLU 601 2HB GLU 601 9.401 -28.333 -1.953 766 1HG GLU 601 1HG GLU 601 9.756 -28.957 -4.257 767 2HG GLU 601 2HG GLU 601 9.817 -27.264 -4.736 768 H LYS 602 H LYS 602 6.080 -27.919 -4.781 769 HA LYS 602 HA LYS 602 5.311 -30.495 -3.653 770 1HB LYS 602 1HB LYS 602 3.200 -30.194 -4.901 771 2HB LYS 602 2HB LYS 602 3.512 -28.946 -3.704 772 1HG LYS 602 1HG LYS 602 4.236 -27.421 -5.485 773 2HG LYS 602 2HG LYS 602 3.935 -28.678 -6.681 774 1HD LYS 602 1HD LYS 602 2.082 -27.129 -6.642 775 2HD LYS 602 2HD LYS 602 1.545 -28.688 -6.012 776 1HE LYS 602 1HE LYS 602 1.838 -27.791 -3.714 777 2HE LYS 602 2HE LYS 602 2.288 -26.238 -4.411 778 1HZ LYS 602 1HZ LYS 602 -0.330 -27.589 -4.764 779 2HZ LYS 602 2HZ LYS 602 0.098 -26.098 -5.420 780 3HZ LYS 602 3HZ LYS 602 -0.020 -26.275 -3.761 781 H LYS 603 H LYS 603 5.067 -32.282 -4.856 782 HA LYS 603 HA LYS 603 5.811 -32.176 -7.662 783 1HB LYS 603 1HB LYS 603 7.673 -33.050 -6.023 784 2HB LYS 603 2HB LYS 603 6.646 -34.447 -5.836 785 1HG LYS 603 1HG LYS 603 7.765 -33.528 -8.495 786 2HG LYS 603 2HG LYS 603 8.550 -34.707 -7.461 787 1HD LYS 603 1HD LYS 603 5.813 -35.005 -8.715 788 2HD LYS 603 2HD LYS 603 7.296 -35.745 -9.314 789 1HE LYS 603 1HE LYS 603 5.968 -36.285 -6.648 790 2HE LYS 603 2HE LYS 603 5.972 -37.344 -8.049 791 1HZ LYS 603 1HZ LYS 603 7.579 -38.020 -6.403 792 2HZ LYS 603 2HZ LYS 603 8.365 -36.558 -6.464 793 3HZ LYS 603 3HZ LYS 603 8.390 -37.585 -7.805 794 H GLY 604 H GLY 604 3.486 -32.044 -7.713 795 1HA GLY 604 1HA GLY 604 1.983 -34.405 -6.912 796 2HA GLY 604 2HA GLY 604 1.330 -32.970 -7.714 797 H GLY 605 H GLY 605 3.482 -32.998 -9.621 798 1HA GLY 605 1HA GLY 605 3.717 -35.303 -11.088 799 2HA GLY 605 2HA GLY 605 2.325 -34.397 -11.714 800 H PHE 606 H PHE 606 4.232 -34.504 -13.471 801 HA PHE 606 HA PHE 606 5.869 -32.150 -13.053 802 1HB PHE 606 1HB PHE 606 5.843 -34.061 -15.391 803 2HB PHE 606 2HB PHE 606 7.036 -32.799 -15.092 804 HD1 PHE 606 HD1 PHE 606 8.075 -32.985 -12.590 805 HD2 PHE 606 HD2 PHE 606 6.517 -36.201 -14.898 806 HE1 PHE 606 HE1 PHE 606 9.418 -34.572 -11.277 807 HE2 PHE 606 HE2 PHE 606 7.852 -37.790 -13.591 808 HZ PHE 606 HZ PHE 606 9.302 -36.975 -11.773 809 H THR 607 H THR 607 4.317 -30.660 -13.069 810 HA THR 607 HA THR 607 2.333 -30.587 -15.087 811 HB THR 607 HB THR 607 1.734 -28.419 -13.971 812 HG1 THR 607 HG1 THR 607 4.085 -28.402 -13.114 813 1HG2 THR 607 1HG2 THR 607 0.892 -29.508 -11.934 814 2HG2 THR 607 2HG2 THR 607 1.996 -30.857 -12.195 815 3HG2 THR 607 3HG2 THR 607 0.682 -30.560 -13.333 816 H ILE 608 H ILE 608 2.552 -29.727 -17.007 817 HA ILE 608 HA ILE 608 4.710 -27.873 -17.573 818 HB ILE 608 HB ILE 608 2.545 -28.984 -19.334 819 1HG1 ILE 608 1HG1 ILE 608 5.411 -29.931 -19.031 820 2HG1 ILE 608 2HG1 ILE 608 3.975 -30.785 -18.482 821 1HG2 ILE 608 1HG2 ILE 608 4.014 -28.271 -21.232 822 2HG2 ILE 608 2HG2 ILE 608 5.144 -27.589 -20.067 823 3HG2 ILE 608 3HG2 ILE 608 3.525 -26.909 -20.224 824 1HD1 ILE 608 1HD1 ILE 608 3.265 -31.063 -20.806 825 2HD1 ILE 608 2HD1 ILE 608 4.864 -31.755 -20.524 826 3HD1 ILE 608 3HD1 ILE 608 4.705 -30.197 -21.340 827 H THR 609 H THR 609 4.159 -26.003 -16.681 828 HA THR 609 HA THR 609 1.808 -24.633 -17.590 829 HB THR 609 HB THR 609 0.924 -26.002 -15.724 830 HG1 THR 609 HG1 THR 609 0.024 -24.301 -14.530 831 1HG2 THR 609 1HG2 THR 609 1.641 -25.552 -13.394 832 2HG2 THR 609 2HG2 THR 609 2.899 -24.485 -14.014 833 3HG2 THR 609 3HG2 THR 609 2.953 -26.207 -14.377 834 H GLU 610 H GLU 610 2.001 -22.455 -17.325 835 HA GLU 610 HA GLU 610 4.556 -21.499 -16.384 836 1HB GLU 610 1HB GLU 610 2.324 -20.139 -17.886 837 2HB GLU 610 2HB GLU 610 3.779 -19.325 -17.337 838 1HG GLU 610 1HG GLU 610 3.702 -21.626 -19.265 839 2HG GLU 610 2HG GLU 610 3.856 -19.929 -19.708 840 H GLU 611 H GLU 611 4.316 -21.685 -14.251 841 HA GLU 611 HA GLU 611 2.730 -19.572 -13.067 842 1HB GLU 611 1HB GLU 611 3.119 -22.345 -11.883 843 2HB GLU 611 2HB GLU 611 2.526 -20.965 -10.973 844 1HG GLU 611 1HG GLU 611 0.600 -20.850 -12.575 845 2HG GLU 611 2HG GLU 611 1.180 -22.357 -13.284 846 H TYR 612 H TYR 612 4.729 -18.622 -13.701 847 HA TYR 612 HA TYR 612 7.008 -19.356 -12.051 848 1HB TYR 612 1HB TYR 612 7.073 -19.381 -14.593 849 2HB TYR 612 2HB TYR 612 6.888 -17.637 -14.512 850 HD1 TYR 612 HD1 TYR 612 8.993 -20.418 -13.477 851 HD2 TYR 612 HD2 TYR 612 8.758 -16.276 -14.178 852 HE1 TYR 612 HE1 TYR 612 11.451 -20.279 -13.262 853 HE2 TYR 612 HE2 TYR 612 11.231 -16.085 -13.970 854 HH TYR 612 HH TYR 612 13.217 -18.835 -14.000 855 H ASP 613 H ASP 613 7.661 -17.904 -10.567 856 HA ASP 613 HA ASP 613 6.182 -15.499 -10.181 857 1HB ASP 613 1HB ASP 613 8.817 -16.295 -8.927 858 2HB ASP 613 2HB ASP 613 7.868 -14.898 -8.465 859 H ASP 614 H ASP 614 6.332 -14.445 -12.017 860 HA ASP 614 HA ASP 614 8.884 -13.521 -12.959 861 1HB ASP 614 1HB ASP 614 7.234 -14.046 -14.602 862 2HB ASP 614 2HB ASP 614 6.059 -12.978 -13.834 863 H LYS 615 H LYS 615 9.803 -12.175 -11.727 864 HA LYS 615 HA LYS 615 8.297 -10.513 -9.986 865 1HB LYS 615 1HB LYS 615 10.489 -9.764 -9.040 866 2HB LYS 615 2HB LYS 615 10.190 -11.490 -8.979 867 1HG LYS 615 1HG LYS 615 11.671 -11.750 -10.969 868 2HG LYS 615 2HG LYS 615 12.024 -10.028 -10.876 869 1HD LYS 615 1HD LYS 615 13.801 -11.222 -9.770 870 2HD LYS 615 2HD LYS 615 12.850 -10.382 -8.546 871 1HE LYS 615 1HE LYS 615 11.645 -12.507 -8.076 872 2HE LYS 615 2HE LYS 615 12.670 -13.318 -9.256 873 1HZ LYS 615 1HZ LYS 615 14.602 -12.681 -7.844 874 2HZ LYS 615 2HZ LYS 615 13.516 -13.699 -7.083 875 3HZ LYS 615 3HZ LYS 615 13.521 -12.063 -6.704 876 H GLN 616 H GLN 616 7.215 -9.302 -11.195 877 HA GLN 616 HA GLN 616 8.434 -6.879 -12.339 878 1HB GLN 616 1HB GLN 616 6.290 -8.702 -13.451 879 2HB GLN 616 2HB GLN 616 6.466 -7.043 -13.988 880 1HG GLN 616 1HG GLN 616 8.659 -9.074 -14.143 881 2HG GLN 616 2HG GLN 616 7.495 -8.797 -15.439 882 1HE2 GLN 616 1HE2 GLN 616 7.578 -6.919 -16.584 883 2HE2 GLN 616 2HE2 GLN 616 8.945 -5.856 -16.532 884 HA PRO 617 HA PRO 617 5.120 -4.969 -9.931 885 1HB PRO 617 1HB PRO 617 3.994 -3.270 -11.788 886 2HB PRO 617 2HB PRO 617 5.433 -2.859 -10.845 887 1HG PRO 617 1HG PRO 617 5.224 -3.881 -13.649 888 2HG PRO 617 2HG PRO 617 6.321 -2.658 -12.987 889 1HD PRO 617 1HD PRO 617 7.156 -5.152 -13.480 890 2HD PRO 617 2HD PRO 617 7.745 -4.259 -12.068 891 H LEU 618 H LEU 618 2.700 -4.681 -10.047 892 HA LEU 618 HA LEU 618 1.672 -7.154 -10.902 893 1HB LEU 618 1HB LEU 618 0.315 -4.767 -9.688 894 2HB LEU 618 2HB LEU 618 -0.543 -6.234 -10.106 895 HG LEU 618 HG LEU 618 -0.175 -6.303 -7.779 896 1HD1 LEU 618 1HD1 LEU 618 0.154 -8.410 -8.852 897 2HD1 LEU 618 2HD1 LEU 618 1.158 -8.262 -7.415 898 3HD1 LEU 618 3HD1 LEU 618 1.884 -8.092 -9.014 899 1HD2 LEU 618 1HD2 LEU 618 2.020 -6.087 -6.698 900 2HD2 LEU 618 2HD2 LEU 618 1.566 -4.620 -7.565 901 3HD2 LEU 618 3HD2 LEU 618 2.746 -5.726 -8.264 902 H THR 619 H THR 619 1.573 -7.502 -12.898 903 HA THR 619 HA THR 619 -0.250 -5.991 -14.546 904 HB THR 619 HB THR 619 1.470 -6.460 -16.455 905 HG1 THR 619 HG1 THR 619 3.115 -6.693 -14.144 906 1HG2 THR 619 1HG2 THR 619 0.922 -4.187 -15.745 907 2HG2 THR 619 2HG2 THR 619 2.654 -4.319 -16.058 908 3HG2 THR 619 3HG2 THR 619 2.054 -4.318 -14.401 909 H SER 620 H SER 620 -1.340 -7.371 -15.966 910 HA SER 620 HA SER 620 -0.782 -10.229 -15.617 911 1HB SER 620 1HB SER 620 -3.176 -10.409 -16.526 912 2HB SER 620 2HB SER 620 -2.969 -9.817 -14.877 913 HG SER 620 HG SER 620 -3.512 -7.868 -15.465 914 H LYS 621 H LYS 621 -0.820 -7.641 -17.858 915 HA LYS 621 HA LYS 621 -0.072 -7.421 -19.981 916 1HB LYS 621 1HB LYS 621 1.795 -8.781 -19.035 917 2HB LYS 621 2HB LYS 621 0.985 -10.236 -19.570 918 1HG LYS 621 1HG LYS 621 1.247 -9.469 -21.914 919 2HG LYS 621 2HG LYS 621 2.146 -8.071 -21.331 920 1HD LYS 621 1HD LYS 621 2.920 -10.968 -20.929 921 2HD LYS 621 2HD LYS 621 3.637 -9.865 -22.097 922 1HE LYS 621 1HE LYS 621 3.704 -9.513 -19.097 923 2HE LYS 621 2HE LYS 621 5.019 -10.156 -20.071 924 1HZ LYS 621 1HZ LYS 621 5.363 -7.823 -19.576 925 2HZ LYS 621 2HZ LYS 621 3.897 -7.404 -20.292 926 3HZ LYS 621 3HZ LYS 621 5.137 -8.034 -21.226 927 H GLU 622 H GLU 622 -2.645 -9.004 -19.261 928 HA GLU 622 HA GLU 622 -4.434 -10.000 -20.227 929 1HB GLU 622 1HB GLU 622 -3.039 -9.436 -22.855 930 2HB GLU 622 2HB GLU 622 -4.704 -9.959 -22.693 931 1HG GLU 622 1HG GLU 622 -5.252 -7.889 -21.540 932 2HG GLU 622 2HG GLU 622 -3.565 -7.376 -21.658 933 H GLU 623 H GLU 623 -1.493 -11.222 -20.213 934 HA GLU 623 HA GLU 623 -1.708 -13.540 -21.862 935 1HB GLU 623 1HB GLU 623 0.432 -12.413 -21.401 936 2HB GLU 623 2HB GLU 623 0.251 -12.758 -19.693 937 1HG GLU 623 1HG GLU 623 0.457 -15.117 -20.109 938 2HG GLU 623 2HG GLU 623 0.520 -14.838 -21.847 939 H GLU 624 H GLU 624 -2.579 -15.447 -21.277 940 HA GLU 624 HA GLU 624 -3.859 -15.613 -18.757 941 1HB GLU 624 1HB GLU 624 -4.556 -17.872 -19.350 942 2HB GLU 624 2HB GLU 624 -4.878 -16.754 -20.663 943 1HG GLU 624 1HG GLU 624 -3.059 -17.613 -21.925 944 2HG GLU 624 2HG GLU 624 -2.484 -18.559 -20.550 945 H GLU 625 H GLU 625 -0.848 -16.819 -20.048 946 HA GLU 625 HA GLU 625 -0.199 -18.624 -18.056 947 1HB GLU 625 1HB GLU 625 1.567 -16.825 -19.718 948 2HB GLU 625 2HB GLU 625 2.208 -18.007 -18.602 949 1HG GLU 625 1HG GLU 625 2.249 -18.857 -20.863 950 2HG GLU 625 2HG GLU 625 1.155 -19.805 -19.870 951 H ARG 626 H ARG 626 0.209 -15.099 -18.094 952 HA ARG 626 HA ARG 626 1.459 -14.983 -15.555 953 1HB ARG 626 1HB ARG 626 1.605 -13.116 -17.203 954 2HB ARG 626 2HB ARG 626 -0.123 -12.863 -17.043 955 1HG ARG 626 1HG ARG 626 0.992 -11.187 -15.783 956 2HG ARG 626 2HG ARG 626 0.211 -12.290 -14.653 957 1HD ARG 626 1HD ARG 626 2.500 -13.419 -14.444 958 2HD ARG 626 2HD ARG 626 3.145 -12.025 -15.314 959 HE ARG 626 HE ARG 626 1.529 -11.547 -12.934 960 1HH1 ARG 626 1HH1 ARG 626 4.788 -11.283 -14.372 961 2HH1 ARG 626 2HH1 ARG 626 5.439 -10.616 -12.971 962 1HH2 ARG 626 1HH2 ARG 626 2.391 -10.595 -11.161 963 2HH2 ARG 626 2HH2 ARG 626 4.040 -10.142 -11.031 964 H ARG 627 H ARG 627 -1.864 -14.611 -16.709 965 HA ARG 627 HA ARG 627 -3.051 -13.934 -14.250 966 1HB ARG 627 1HB ARG 627 -4.211 -15.174 -16.728 967 2HB ARG 627 2HB ARG 627 -5.194 -14.761 -15.335 968 1HG ARG 627 1HG ARG 627 -4.534 -12.425 -15.543 969 2HG ARG 627 2HG ARG 627 -3.516 -12.833 -16.926 970 1HD ARG 627 1HD ARG 627 -6.428 -13.465 -16.847 971 2HD ARG 627 2HD ARG 627 -5.850 -11.892 -17.427 972 HE ARG 627 HE ARG 627 -4.466 -13.543 -18.949 973 1HH1 ARG 627 1HH1 ARG 627 -7.905 -13.785 -18.037 974 2HH1 ARG 627 2HH1 ARG 627 -8.374 -14.499 -19.510 975 1HH2 ARG 627 1HH2 ARG 627 -5.220 -14.514 -21.073 976 2HH2 ARG 627 2HH2 ARG 627 -6.868 -14.893 -21.199 977 H ILE 628 H ILE 628 -2.550 -17.115 -15.691 978 HA ILE 628 HA ILE 628 -3.898 -18.616 -13.745 979 HB ILE 628 HB ILE 628 -1.601 -19.305 -15.585 980 1HG1 ILE 628 1HG1 ILE 628 -4.524 -20.041 -15.755 981 2HG1 ILE 628 2HG1 ILE 628 -3.818 -18.658 -16.577 982 1HG2 ILE 628 1HG2 ILE 628 -1.539 -20.841 -13.707 983 2HG2 ILE 628 2HG2 ILE 628 -2.093 -21.684 -15.155 984 3HG2 ILE 628 3HG2 ILE 628 -3.247 -21.219 -13.911 985 1HD1 ILE 628 1HD1 ILE 628 -3.104 -21.555 -17.012 986 2HD1 ILE 628 2HD1 ILE 628 -2.361 -20.170 -17.820 987 3HD1 ILE 628 3HD1 ILE 628 -4.066 -20.529 -18.082 988 H ALA 629 H ALA 629 -0.645 -17.365 -13.937 989 HA ALA 629 HA ALA 629 0.313 -18.671 -11.623 990 1HB ALA 629 1HB ALA 629 1.297 -16.111 -12.884 991 2HB ALA 629 2HB ALA 629 1.776 -17.731 -13.369 992 3HB ALA 629 3HB ALA 629 2.200 -17.136 -11.761 993 H GLU 630 H GLU 630 -1.254 -15.589 -12.246 994 HA GLU 630 HA GLU 630 -0.892 -14.528 -9.626 995 1HB GLU 630 1HB GLU 630 -2.932 -13.648 -11.675 996 2HB GLU 630 2HB GLU 630 -2.350 -12.718 -10.306 997 1HG GLU 630 1HG GLU 630 -0.772 -13.532 -12.740 998 2HG GLU 630 2HG GLU 630 -1.360 -11.923 -12.360 999 H MET 631 H MET 631 -2.867 -16.993 -10.581 1000 HA MET 631 HA MET 631 -4.725 -16.355 -8.417 1001 1HB MET 631 1HB MET 631 -6.205 -18.147 -9.177 1002 2HB MET 631 2HB MET 631 -5.870 -17.022 -10.477 1003 1HG MET 631 1HG MET 631 -4.293 -18.610 -11.438 1004 2HG MET 631 2HG MET 631 -4.620 -19.724 -10.110 1005 1HE MET 631 1HE MET 631 -4.950 -20.383 -13.321 1006 2HE MET 631 2HE MET 631 -6.383 -21.406 -13.225 1007 3HE MET 631 3HE MET 631 -5.100 -21.562 -12.019 1008 H GLY 632 H GLY 632 -1.974 -18.122 -9.014 1009 1HA GLY 632 1HA GLY 632 -2.463 -19.864 -6.689 1010 2HA GLY 632 2HA GLY 632 -1.110 -20.016 -7.815 1011 H ARG 633 H ARG 633 -0.745 -17.183 -7.885 1012 HA ARG 633 HA ARG 633 0.799 -16.734 -5.467 1013 1HB ARG 633 1HB ARG 633 0.710 -15.560 -8.228 1014 2HB ARG 633 2HB ARG 633 1.597 -14.796 -6.921 1015 1HG ARG 633 1HG ARG 633 3.191 -16.437 -6.866 1016 2HG ARG 633 2HG ARG 633 2.113 -17.652 -7.553 1017 1HD ARG 633 1HD ARG 633 4.046 -16.592 -8.997 1018 2HD ARG 633 2HD ARG 633 2.474 -16.966 -9.700 1019 HE ARG 633 HE ARG 633 2.037 -14.712 -9.922 1020 1HH1 ARG 633 1HH1 ARG 633 5.083 -15.034 -8.099 1021 2HH1 ARG 633 2HH1 ARG 633 5.388 -13.344 -8.232 1022 1HH2 ARG 633 1HH2 ARG 633 2.521 -12.666 -10.134 1023 2HH2 ARG 633 2HH2 ARG 633 3.943 -11.940 -9.449 1024 HA PRO 634 HA PRO 634 -2.378 -13.783 -4.342 1025 1HB PRO 634 1HB PRO 634 -1.030 -12.411 -2.470 1026 2HB PRO 634 2HB PRO 634 -1.699 -14.002 -2.151 1027 1HG PRO 634 1HG PRO 634 1.118 -13.234 -2.744 1028 2HG PRO 634 2HG PRO 634 0.506 -14.481 -1.648 1029 1HD PRO 634 1HD PRO 634 1.512 -14.985 -4.151 1030 2HD PRO 634 2HD PRO 634 0.348 -16.036 -3.316 1031 H ILE 635 H ILE 635 -2.903 -11.800 -5.084 1032 HA ILE 635 HA ILE 635 -0.715 -10.133 -5.930 1033 HB ILE 635 HB ILE 635 -2.168 -9.413 -7.937 1034 1HG1 ILE 635 1HG1 ILE 635 -3.486 -11.382 -8.909 1035 2HG1 ILE 635 2HG1 ILE 635 -3.451 -12.086 -7.302 1036 1HG2 ILE 635 1HG2 ILE 635 -1.187 -11.147 -9.344 1037 2HG2 ILE 635 2HG2 ILE 635 -0.827 -12.093 -7.901 1038 3HG2 ILE 635 3HG2 ILE 635 -0.055 -10.529 -8.141 1039 1HD1 ILE 635 1HD1 ILE 635 -4.696 -10.176 -6.453 1040 2HD1 ILE 635 2HD1 ILE 635 -5.553 -10.984 -7.766 1041 3HD1 ILE 635 3HD1 ILE 635 -4.705 -9.466 -8.066 1042 H LEU 636 H LEU 636 -2.010 -7.921 -6.853 1043 HA LEU 636 HA LEU 636 -2.607 -6.804 -4.279 1044 1HB LEU 636 1HB LEU 636 -2.310 -4.711 -5.205 1045 2HB LEU 636 2HB LEU 636 -1.203 -5.700 -6.111 1046 HG LEU 636 HG LEU 636 -3.796 -4.465 -7.016 1047 1HD1 LEU 636 1HD1 LEU 636 -1.947 -3.000 -7.065 1048 2HD1 LEU 636 2HD1 LEU 636 -2.369 -3.440 -8.728 1049 3HD1 LEU 636 3HD1 LEU 636 -0.980 -4.190 -7.929 1050 1HD2 LEU 636 1HD2 LEU 636 -3.439 -5.487 -9.231 1051 2HD2 LEU 636 2HD2 LEU 636 -3.832 -6.644 -7.968 1052 3HD2 LEU 636 3HD2 LEU 636 -2.162 -6.509 -8.541 1053 H GLY 637 H GLY 637 -4.386 -5.004 -4.375 1054 1HA GLY 637 1HA GLY 637 -6.837 -6.441 -5.009 1055 2HA GLY 637 2HA GLY 637 -6.695 -5.064 -3.934 1056 H GLU 638 H GLU 638 -6.385 -3.039 -4.833 1057 HA GLU 638 HA GLU 638 -7.380 -2.794 -7.583 1058 1HB GLU 638 1HB GLU 638 -9.189 -2.450 -5.922 1059 2HB GLU 638 2HB GLU 638 -8.272 -1.123 -5.226 1060 1HG GLU 638 1HG GLU 638 -10.041 -0.305 -6.667 1061 2HG GLU 638 2HG GLU 638 -8.463 0.080 -7.356 1062 H HIS 639 H HIS 639 -6.275 -0.641 -4.937 1063 HA HIS 639 HA HIS 639 -4.387 0.465 -6.856 1064 1HB HIS 639 1HB HIS 639 -4.710 2.724 -5.822 1065 2HB HIS 639 2HB HIS 639 -6.126 2.123 -6.666 1066 HD1 HIS 639 HD1 HIS 639 -4.996 3.350 -3.333 1067 HD2 HIS 639 HD2 HIS 639 -8.253 1.334 -4.945 1068 HE1 HIS 639 HE1 HIS 639 -6.839 3.520 -1.629 1069 H THR 640 H THR 640 -2.396 0.163 -6.297 1070 HA THR 640 HA THR 640 -1.733 0.075 -3.485 1071 HB THR 640 HB THR 640 0.404 -0.953 -4.531 1072 HG1 THR 640 HG1 THR 640 0.340 -1.319 -6.605 1073 1HG2 THR 640 1HG2 THR 640 -1.281 -2.252 -3.290 1074 2HG2 THR 640 2HG2 THR 640 -0.649 -3.169 -4.658 1075 3HG2 THR 640 3HG2 THR 640 -2.239 -2.410 -4.761 1076 H LYS 641 H LYS 641 -1.596 2.292 -3.142 1077 HA LYS 641 HA LYS 641 0.764 3.652 -3.796 1078 1HB LYS 641 1HB LYS 641 -0.615 3.726 -6.017 1079 2HB LYS 641 2HB LYS 641 -1.713 4.756 -5.109 1080 1HG LYS 641 1HG LYS 641 1.195 5.452 -5.453 1081 2HG LYS 641 2HG LYS 641 -0.022 5.894 -6.649 1082 1HD LYS 641 1HD LYS 641 -1.230 7.101 -4.822 1083 2HD LYS 641 2HD LYS 641 0.130 6.726 -3.761 1084 1HE LYS 641 1HE LYS 641 0.323 8.984 -4.720 1085 2HE LYS 641 2HE LYS 641 1.645 7.935 -5.222 1086 1HZ LYS 641 1HZ LYS 641 -0.754 8.571 -6.866 1087 2HZ LYS 641 2HZ LYS 641 0.568 7.637 -7.361 1088 3HZ LYS 641 3HZ LYS 641 0.764 9.257 -7.045 1089 H LEU 642 H LEU 642 0.936 5.053 -2.165 1090 HA LEU 642 HA LEU 642 -1.469 6.185 -0.975 1091 1HB LEU 642 1HB LEU 642 -0.844 4.325 0.420 1092 2HB LEU 642 2HB LEU 642 0.825 4.865 0.428 1093 HG LEU 642 HG LEU 642 0.049 6.932 1.600 1094 1HD1 LEU 642 1HD1 LEU 642 -2.492 5.367 1.905 1095 2HD1 LEU 642 2HD1 LEU 642 -2.285 6.918 1.082 1096 3HD1 LEU 642 3HD1 LEU 642 -2.058 6.800 2.830 1097 1HD2 LEU 642 1HD2 LEU 642 1.167 5.090 2.747 1098 2HD2 LEU 642 2HD2 LEU 642 -0.410 4.346 3.062 1099 3HD2 LEU 642 3HD2 LEU 642 -0.019 5.957 3.705 1100 H GLU 643 H GLU 643 -1.202 8.260 -1.333 1101 HA GLU 643 HA GLU 643 1.426 9.504 -1.314 1102 1HB GLU 643 1HB GLU 643 -0.328 10.026 -3.062 1103 2HB GLU 643 2HB GLU 643 -1.319 10.670 -1.768 1104 1HG GLU 643 1HG GLU 643 0.327 12.402 -1.338 1105 2HG GLU 643 2HG GLU 643 1.360 11.738 -2.598 1106 H VAL 644 H VAL 644 2.119 9.740 0.766 1107 HA VAL 644 HA VAL 644 0.221 10.544 2.829 1108 HB VAL 644 HB VAL 644 3.177 10.006 3.056 1109 1HG1 VAL 644 1HG1 VAL 644 1.061 9.934 5.194 1110 2HG1 VAL 644 2HG1 VAL 644 2.062 11.322 4.822 1111 3HG1 VAL 644 3HG1 VAL 644 2.820 9.855 5.409 1112 1HG2 VAL 644 1HG2 VAL 644 0.913 8.079 3.532 1113 2HG2 VAL 644 2HG2 VAL 644 2.630 7.759 3.803 1114 3HG2 VAL 644 3HG2 VAL 644 2.027 8.035 2.171 1115 H ILE 645 H ILE 645 -0.097 12.683 2.876 1116 HA ILE 645 HA ILE 645 2.152 14.383 2.200 1117 HB ILE 645 HB ILE 645 -0.731 15.193 2.760 1118 1HG1 ILE 645 1HG1 ILE 645 -0.560 15.916 0.245 1119 2HG1 ILE 645 2HG1 ILE 645 0.811 14.838 0.196 1120 1HG2 ILE 645 1HG2 ILE 645 1.589 16.880 1.837 1121 2HG2 ILE 645 2HG2 ILE 645 0.806 16.950 3.415 1122 3HG2 ILE 645 3HG2 ILE 645 -0.086 17.425 1.965 1123 1HD1 ILE 645 1HD1 ILE 645 -0.609 12.954 0.819 1124 2HD1 ILE 645 2HD1 ILE 645 -1.234 13.740 -0.624 1125 3HD1 ILE 645 3HD1 ILE 645 -1.995 14.022 0.924 1126 H ILE 646 H ILE 646 3.387 15.120 3.652 1127 HA ILE 646 HA ILE 646 2.573 14.883 6.472 1128 HB ILE 646 HB ILE 646 5.432 15.254 5.591 1129 1HG1 ILE 646 1HG1 ILE 646 5.606 12.658 5.958 1130 2HG1 ILE 646 2HG1 ILE 646 3.900 12.691 5.543 1131 1HG2 ILE 646 1HG2 ILE 646 5.957 14.138 7.685 1132 2HG2 ILE 646 2HG2 ILE 646 4.241 13.939 8.013 1133 3HG2 ILE 646 3HG2 ILE 646 4.940 15.558 7.933 1134 1HD1 ILE 646 1HD1 ILE 646 4.401 13.725 3.431 1135 2HD1 ILE 646 2HD1 ILE 646 5.296 12.216 3.615 1136 3HD1 ILE 646 3HD1 ILE 646 6.117 13.764 3.827 1137 H GLU 647 H GLU 647 1.976 16.798 7.088 1138 HA GLU 647 HA GLU 647 3.483 19.027 6.017 1139 1HB GLU 647 1HB GLU 647 1.343 20.325 6.719 1140 2HB GLU 647 2HB GLU 647 1.418 19.452 5.199 1141 1HG GLU 647 1HG GLU 647 0.234 17.572 6.261 1142 2HG GLU 647 2HG GLU 647 0.067 18.518 7.736 1143 H GLU 648 H GLU 648 3.966 20.770 7.320 1144 HA GLU 648 HA GLU 648 4.935 19.996 9.856 1145 1HB GLU 648 1HB GLU 648 4.430 22.872 9.076 1146 2HB GLU 648 2HB GLU 648 5.718 22.225 10.073 1147 1HG GLU 648 1HG GLU 648 5.478 22.032 7.067 1148 2HG GLU 648 2HG GLU 648 6.621 23.001 7.976 1149 H SER 649 H SER 649 3.980 20.308 11.875 1150 HA SER 649 HA SER 649 1.205 19.986 11.795 1151 1HB SER 649 1HB SER 649 2.788 18.956 13.453 1152 2HB SER 649 2HB SER 649 2.851 20.509 14.277 1153 HG SER 649 HG SER 649 1.006 20.020 15.180 1154 H TYR 650 H TYR 650 -0.132 21.465 11.341 1155 HA TYR 650 HA TYR 650 -0.073 24.032 12.724 1156 1HB TYR 650 1HB TYR 650 0.729 24.679 10.610 1157 2HB TYR 650 2HB TYR 650 -0.242 23.488 9.766 1158 HD1 TYR 650 HD1 TYR 650 -2.378 24.005 8.984 1159 HD2 TYR 650 HD2 TYR 650 -0.367 26.785 11.479 1160 HE1 TYR 650 HE1 TYR 650 -4.087 25.617 8.483 1161 HE2 TYR 650 HE2 TYR 650 -2.087 28.475 10.969 1162 HH TYR 650 HH TYR 650 -5.033 27.701 9.425 1163 H GLU 651 H GLU 651 -2.070 22.051 10.520 1164 HA GLU 651 HA GLU 651 -4.257 21.651 12.187 1165 1HB GLU 651 1HB GLU 651 -4.485 24.152 11.940 1166 2HB GLU 651 2HB GLU 651 -4.559 23.901 10.200 1167 1HG GLU 651 1HG GLU 651 -6.630 22.652 10.476 1168 2HG GLU 651 2HG GLU 651 -6.561 22.950 12.215 1169 H PHE 652 H PHE 652 -6.026 20.770 10.782 1170 HA PHE 652 HA PHE 652 -4.931 19.776 8.306 1171 1HB PHE 652 1HB PHE 652 -6.101 18.233 10.575 1172 2HB PHE 652 2HB PHE 652 -5.903 17.592 8.951 1173 HD1 PHE 652 HD1 PHE 652 -4.264 18.528 12.055 1174 HD2 PHE 652 HD2 PHE 652 -3.626 17.265 8.042 1175 HE1 PHE 652 HE1 PHE 652 -1.930 18.014 12.593 1176 HE2 PHE 652 HE2 PHE 652 -1.289 16.744 8.580 1177 HZ PHE 652 HZ PHE 652 -0.445 17.129 10.860 1178 H LYS 653 H LYS 653 -6.272 20.670 6.906 1179 HA LYS 653 HA LYS 653 -9.135 20.276 7.339 1180 1HB LYS 653 1HB LYS 653 -7.714 22.345 5.629 1181 2HB LYS 653 2HB LYS 653 -9.451 22.086 5.614 1182 1HG LYS 653 1HG LYS 653 -7.856 22.939 8.031 1183 2HG LYS 653 2HG LYS 653 -8.774 24.025 6.988 1184 1HD LYS 653 1HD LYS 653 -10.841 22.840 7.573 1185 2HD LYS 653 2HD LYS 653 -9.918 21.725 8.578 1186 1HE LYS 653 1HE LYS 653 -11.002 23.426 9.950 1187 2HE LYS 653 2HE LYS 653 -9.252 23.571 10.032 1188 1HZ LYS 653 1HZ LYS 653 -10.380 25.725 9.804 1189 2HZ LYS 653 2HZ LYS 653 -10.991 25.255 8.305 1190 3HZ LYS 653 3HZ LYS 653 -9.337 25.420 8.522 1191 H SER 654 H SER 654 -9.959 18.733 6.179 1192 HA SER 654 HA SER 654 -8.281 17.286 4.436 1193 1HB SER 654 1HB SER 654 -9.862 16.168 5.920 1194 2HB SER 654 2HB SER 654 -11.216 16.875 5.038 1195 HG SER 654 HG SER 654 -10.748 15.633 3.304 1196 H THR 655 H THR 655 -7.873 17.864 2.468 1197 HA THR 655 HA THR 655 -10.065 18.228 0.694 1198 HB THR 655 HB THR 655 -9.528 20.558 1.139 1199 HG1 THR 655 HG1 THR 655 -9.124 21.274 -0.908 1200 1HG2 THR 655 1HG2 THR 655 -7.243 20.348 2.014 1201 2HG2 THR 655 2HG2 THR 655 -7.292 21.547 0.720 1202 3HG2 THR 655 3HG2 THR 655 -6.654 19.935 0.403 1203 H VAL 656 H VAL 656 -9.606 16.142 0.215 1204 HA VAL 656 HA VAL 656 -6.983 15.493 -0.724 1205 HB VAL 656 HB VAL 656 -8.010 13.820 0.680 1206 1HG1 VAL 656 1HG1 VAL 656 -10.021 12.575 0.063 1207 2HG1 VAL 656 2HG1 VAL 656 -10.242 13.636 -1.326 1208 3HG1 VAL 656 3HG1 VAL 656 -10.356 14.289 0.309 1209 1HG2 VAL 656 1HG2 VAL 656 -6.557 12.967 -1.044 1210 2HG2 VAL 656 2HG2 VAL 656 -7.909 12.878 -2.170 1211 3HG2 VAL 656 3HG2 VAL 656 -7.873 11.824 -0.754 1212 H ASP 657 H ASP 657 -6.388 15.943 -2.621 1213 HA ASP 657 HA ASP 657 -8.232 16.480 -4.766 1214 1HB ASP 657 1HB ASP 657 -6.261 17.855 -4.604 1215 2HB ASP 657 2HB ASP 657 -5.212 16.445 -4.654 Start of MODEL 6 1 1H HIS 501 1H HIS 501 -5.596 -14.992 -9.133 2 HA HIS 501 HA HIS 501 -6.953 -13.523 -7.632 3 1HB HIS 501 1HB HIS 501 -9.116 -14.189 -8.729 4 2HB HIS 501 2HB HIS 501 -8.918 -15.806 -8.080 5 HD1 HIS 501 HD1 HIS 501 -11.102 -13.281 -7.457 6 HD2 HIS 501 HD2 HIS 501 -8.335 -15.107 -4.946 7 HE1 HIS 501 HE1 HIS 501 -11.927 -12.903 -5.126 8 H ALA 502 H ALA 502 -5.389 -13.947 -6.310 9 HA ALA 502 HA ALA 502 -5.544 -16.445 -4.759 10 1HB ALA 502 1HB ALA 502 -3.041 -14.921 -5.471 11 2HB ALA 502 2HB ALA 502 -3.497 -16.506 -6.104 12 3HB ALA 502 3HB ALA 502 -3.119 -16.303 -4.387 13 H GLY 503 H GLY 503 -4.281 -13.172 -4.895 14 1HA GLY 503 1HA GLY 503 -5.513 -12.665 -2.372 15 2HA GLY 503 2HA GLY 503 -3.751 -12.470 -2.442 16 H ILE 504 H ILE 504 -5.869 -10.576 -1.974 17 HA ILE 504 HA ILE 504 -5.384 -8.727 -4.195 18 HB ILE 504 HB ILE 504 -7.868 -9.078 -2.504 19 1HG1 ILE 504 1HG1 ILE 504 -9.036 -9.156 -4.803 20 2HG1 ILE 504 2HG1 ILE 504 -7.435 -9.337 -5.488 21 1HG2 ILE 504 1HG2 ILE 504 -7.309 -6.848 -4.455 22 2HG2 ILE 504 2HG2 ILE 504 -7.454 -6.702 -2.704 23 3HG2 ILE 504 3HG2 ILE 504 -8.863 -7.143 -3.674 24 1HD1 ILE 504 1HD1 ILE 504 -7.153 -11.427 -4.255 25 2HD1 ILE 504 2HD1 ILE 504 -8.574 -11.472 -5.302 26 3HD1 ILE 504 3HD1 ILE 504 -8.762 -11.233 -3.563 27 H PHE 505 H PHE 505 -3.846 -7.453 -3.349 28 HA PHE 505 HA PHE 505 -4.314 -6.379 -0.660 29 1HB PHE 505 1HB PHE 505 -1.725 -6.813 -2.141 30 2HB PHE 505 2HB PHE 505 -1.846 -5.891 -0.647 31 HD1 PHE 505 HD1 PHE 505 -2.115 -9.231 -2.148 32 HD2 PHE 505 HD2 PHE 505 -2.156 -6.978 1.452 33 HE1 PHE 505 HE1 PHE 505 -1.885 -11.300 -0.857 34 HE2 PHE 505 HE2 PHE 505 -1.926 -9.047 2.751 35 HZ PHE 505 HZ PHE 505 -1.792 -11.209 1.598 36 H THR 506 H THR 506 -4.815 -4.339 -0.530 37 HA THR 506 HA THR 506 -3.881 -2.477 -2.517 38 HB THR 506 HB THR 506 -6.014 -3.370 -3.424 39 HG1 THR 506 HG1 THR 506 -6.675 -0.780 -2.570 40 1HG2 THR 506 1HG2 THR 506 -7.284 -2.225 -0.940 41 2HG2 THR 506 2HG2 THR 506 -7.136 -3.943 -1.311 42 3HG2 THR 506 3HG2 THR 506 -8.147 -2.900 -2.317 43 H PHE 507 H PHE 507 -4.389 -0.216 -1.723 44 HA PHE 507 HA PHE 507 -4.249 -0.155 1.149 45 1HB PHE 507 1HB PHE 507 -3.852 1.900 -0.989 46 2HB PHE 507 2HB PHE 507 -4.092 2.390 0.683 47 HD1 PHE 507 HD1 PHE 507 -1.808 0.972 -1.719 48 HD2 PHE 507 HD2 PHE 507 -2.498 1.710 2.400 49 HE1 PHE 507 HE1 PHE 507 0.579 0.600 -1.257 50 HE2 PHE 507 HE2 PHE 507 -0.134 1.352 2.882 51 HZ PHE 507 HZ PHE 507 1.418 0.789 1.050 52 H GLU 508 H GLU 508 -5.639 0.862 2.480 53 HA GLU 508 HA GLU 508 -8.382 1.028 1.647 54 1HB GLU 508 1HB GLU 508 -7.164 0.258 3.898 55 2HB GLU 508 2HB GLU 508 -7.353 1.952 4.313 56 1HG GLU 508 1HG GLU 508 -9.501 -0.056 3.690 57 2HG GLU 508 2HG GLU 508 -9.105 0.602 5.271 58 H GLU 509 H GLU 509 -5.643 3.024 1.962 59 HA GLU 509 HA GLU 509 -7.196 5.508 1.660 60 1HB GLU 509 1HB GLU 509 -5.524 4.819 3.814 61 2HB GLU 509 2HB GLU 509 -4.553 5.788 2.697 62 1HG GLU 509 1HG GLU 509 -5.494 7.173 4.358 63 2HG GLU 509 2HG GLU 509 -6.124 7.553 2.761 64 HA PRO 510 HA PRO 510 -4.165 5.500 -1.746 65 1HB PRO 510 1HB PRO 510 -5.315 7.477 -3.221 66 2HB PRO 510 2HB PRO 510 -5.891 5.807 -3.267 67 1HG PRO 510 1HG PRO 510 -7.035 8.168 -1.857 68 2HG PRO 510 2HG PRO 510 -7.864 6.802 -2.623 69 1HD PRO 510 1HD PRO 510 -7.434 7.091 0.104 70 2HD PRO 510 2HD PRO 510 -7.784 5.557 -0.715 71 H VAL 511 H VAL 511 -5.369 8.034 0.259 72 HA VAL 511 HA VAL 511 -2.830 9.482 0.247 73 HB VAL 511 HB VAL 511 -5.541 10.820 -0.179 74 1HG1 VAL 511 1HG1 VAL 511 -2.855 12.049 0.281 75 2HG1 VAL 511 2HG1 VAL 511 -4.222 12.088 1.392 76 3HG1 VAL 511 3HG1 VAL 511 -4.317 12.934 -0.162 77 1HG2 VAL 511 1HG2 VAL 511 -4.419 9.842 -2.154 78 2HG2 VAL 511 2HG2 VAL 511 -3.093 11.009 -1.880 79 3HG2 VAL 511 3HG2 VAL 511 -4.720 11.584 -2.253 80 H THR 512 H THR 512 -2.278 9.915 2.274 81 HA THR 512 HA THR 512 -4.395 10.086 4.262 82 HB THR 512 HB THR 512 -3.219 7.825 4.445 83 HG1 THR 512 HG1 THR 512 -3.328 7.912 6.545 84 1HG2 THR 512 1HG2 THR 512 -0.852 9.531 5.195 85 2HG2 THR 512 2HG2 THR 512 -0.981 8.531 3.746 86 3HG2 THR 512 3HG2 THR 512 -0.932 7.778 5.347 87 H HIS 513 H HIS 513 -4.061 11.662 5.796 88 HA HIS 513 HA HIS 513 -1.708 13.351 5.381 89 1HB HIS 513 1HB HIS 513 -4.495 14.050 6.289 90 2HB HIS 513 2HB HIS 513 -3.131 15.089 6.683 91 HD1 HIS 513 HD1 HIS 513 -5.305 14.032 3.846 92 HD2 HIS 513 HD2 HIS 513 -2.063 16.504 4.570 93 HE1 HIS 513 HE1 HIS 513 -5.004 15.432 1.757 94 H VAL 514 H VAL 514 -0.289 13.319 6.868 95 HA VAL 514 HA VAL 514 -1.123 12.432 9.523 96 HB VAL 514 HB VAL 514 1.044 11.369 9.867 97 1HG1 VAL 514 1HG1 VAL 514 -0.633 9.928 8.956 98 2HG1 VAL 514 2HG1 VAL 514 0.910 9.526 8.183 99 3HG1 VAL 514 3HG1 VAL 514 -0.284 10.483 7.323 100 1HG2 VAL 514 1HG2 VAL 514 1.702 12.180 7.033 101 2HG2 VAL 514 2HG2 VAL 514 2.690 11.127 8.046 102 3HG2 VAL 514 3HG2 VAL 514 2.443 12.816 8.501 103 H SER 515 H SER 515 -0.050 13.444 11.240 104 HA SER 515 HA SER 515 0.564 16.174 10.588 105 1HB SER 515 1HB SER 515 -0.812 15.181 12.605 106 2HB SER 515 2HB SER 515 0.780 15.004 13.318 107 HG SER 515 HG SER 515 -0.088 17.384 12.144 108 H GLU 516 H GLU 516 2.551 17.170 11.174 109 HA GLU 516 HA GLU 516 4.825 15.552 10.744 110 1HB GLU 516 1HB GLU 516 4.704 17.946 10.049 111 2HB GLU 516 2HB GLU 516 4.702 18.409 11.727 112 1HG GLU 516 1HG GLU 516 6.900 17.323 12.049 113 2HG GLU 516 2HG GLU 516 6.930 16.946 10.334 114 H SER 517 H SER 517 3.089 16.336 13.570 115 HA SER 517 HA SER 517 5.395 16.032 15.335 116 1HB SER 517 1HB SER 517 2.494 16.602 15.985 117 2HB SER 517 2HB SER 517 3.835 16.639 17.130 118 HG SER 517 HG SER 517 4.698 18.347 16.082 119 H ILE 518 H ILE 518 3.844 13.919 13.675 120 HA ILE 518 HA ILE 518 3.006 12.130 15.777 121 HB ILE 518 HB ILE 518 1.875 12.418 13.477 122 1HG1 ILE 518 1HG1 ILE 518 2.588 9.620 14.288 123 2HG1 ILE 518 2HG1 ILE 518 1.405 10.623 15.134 124 1HG2 ILE 518 1HG2 ILE 518 3.852 12.245 12.075 125 2HG2 ILE 518 2HG2 ILE 518 2.704 10.962 11.689 126 3HG2 ILE 518 3HG2 ILE 518 4.142 10.600 12.649 127 1HD1 ILE 518 1HD1 ILE 518 0.192 10.862 13.087 128 2HD1 ILE 518 2HD1 ILE 518 0.302 9.157 13.625 129 3HD1 ILE 518 3HD1 ILE 518 1.316 9.762 12.288 130 H GLY 519 H GLY 519 4.018 10.058 16.075 131 1HA GLY 519 1HA GLY 519 6.891 10.183 15.624 132 2HA GLY 519 2HA GLY 519 6.028 9.048 16.667 133 H ILE 520 H ILE 520 4.441 7.687 15.418 134 HA ILE 520 HA ILE 520 5.709 6.663 12.977 135 HB ILE 520 HB ILE 520 4.293 5.130 15.180 136 1HG1 ILE 520 1HG1 ILE 520 6.638 5.669 15.668 137 2HG1 ILE 520 2HG1 ILE 520 6.386 3.933 15.496 138 1HG2 ILE 520 1HG2 ILE 520 5.329 4.069 12.557 139 2HG2 ILE 520 2HG2 ILE 520 3.640 4.247 13.013 140 3HG2 ILE 520 3HG2 ILE 520 4.668 3.092 13.870 141 1HD1 ILE 520 1HD1 ILE 520 7.614 5.801 13.485 142 2HD1 ILE 520 2HD1 ILE 520 7.277 4.103 13.188 143 3HD1 ILE 520 3HD1 ILE 520 8.451 4.567 14.431 144 H MET 521 H MET 521 4.402 6.937 11.317 145 HA MET 521 HA MET 521 1.566 7.126 11.917 146 1HB MET 521 1HB MET 521 1.199 8.096 9.735 147 2HB MET 521 2HB MET 521 2.565 8.929 10.441 148 1HG MET 521 1HG MET 521 3.152 8.664 8.219 149 2HG MET 521 2HG MET 521 3.977 7.317 8.999 150 1HE MET 521 1HE MET 521 4.217 6.365 6.427 151 2HE MET 521 2HE MET 521 3.207 7.673 5.813 152 3HE MET 521 3HE MET 521 2.817 6.011 5.414 153 H GLU 522 H GLU 522 0.162 5.663 11.267 154 HA GLU 522 HA GLU 522 1.230 3.268 9.966 155 1HB GLU 522 1HB GLU 522 -0.661 3.504 12.287 156 2HB GLU 522 2HB GLU 522 -0.437 2.017 11.389 157 1HG GLU 522 1HG GLU 522 1.937 2.049 11.998 158 2HG GLU 522 2HG GLU 522 1.646 3.508 12.955 159 H VAL 523 H VAL 523 -0.017 2.418 8.410 160 HA VAL 523 HA VAL 523 -2.674 3.594 7.940 161 HB VAL 523 HB VAL 523 -0.672 2.869 5.793 162 1HG1 VAL 523 1HG1 VAL 523 -3.308 4.323 5.577 163 2HG1 VAL 523 2HG1 VAL 523 -2.975 2.674 5.044 164 3HG1 VAL 523 3HG1 VAL 523 -2.173 4.030 4.255 165 1HG2 VAL 523 1HG2 VAL 523 -0.595 5.372 5.438 166 2HG2 VAL 523 2HG2 VAL 523 0.249 4.694 6.824 167 3HG2 VAL 523 3HG2 VAL 523 -1.302 5.513 7.057 168 H LYS 524 H LYS 524 -4.211 2.181 7.234 169 HA LYS 524 HA LYS 524 -3.599 -0.592 7.672 170 1HB LYS 524 1HB LYS 524 -6.195 0.884 7.356 171 2HB LYS 524 2HB LYS 524 -6.107 -0.868 7.461 172 1HG LYS 524 1HG LYS 524 -5.014 1.005 9.521 173 2HG LYS 524 2HG LYS 524 -6.619 0.244 9.652 174 1HD LYS 524 1HD LYS 524 -5.459 -1.959 9.533 175 2HD LYS 524 2HD LYS 524 -3.916 -1.121 9.536 176 1HE LYS 524 1HE LYS 524 -4.465 -2.046 11.624 177 2HE LYS 524 2HE LYS 524 -4.397 -0.278 11.772 178 1HZ LYS 524 1HZ LYS 524 -6.192 -1.250 13.008 179 2HZ LYS 524 2HZ LYS 524 -6.839 -2.009 11.668 180 3HZ LYS 524 3HZ LYS 524 -6.865 -0.318 11.789 181 H VAL 525 H VAL 525 -3.603 -2.117 6.366 182 HA VAL 525 HA VAL 525 -3.972 -1.650 3.456 183 HB VAL 525 HB VAL 525 -2.599 -4.019 4.656 184 1HG1 VAL 525 1HG1 VAL 525 -3.074 -4.167 2.311 185 2HG1 VAL 525 2HG1 VAL 525 -1.326 -4.048 2.550 186 3HG1 VAL 525 3HG1 VAL 525 -2.244 -2.638 2.011 187 1HG2 VAL 525 1HG2 VAL 525 -0.417 -2.906 4.461 188 2HG2 VAL 525 2HG2 VAL 525 -1.462 -2.201 5.689 189 3HG2 VAL 525 3HG2 VAL 525 -1.252 -1.382 4.135 190 H LEU 526 H LEU 526 -5.277 -3.194 2.341 191 HA LEU 526 HA LEU 526 -7.021 -4.718 4.073 192 1HB LEU 526 1HB LEU 526 -7.101 -4.354 1.074 193 2HB LEU 526 2HB LEU 526 -8.232 -5.303 2.018 194 HG LEU 526 HG LEU 526 -9.274 -3.239 1.442 195 1HD1 LEU 526 1HD1 LEU 526 -8.435 -3.129 4.316 196 2HD1 LEU 526 2HD1 LEU 526 -9.788 -4.052 3.654 197 3HD1 LEU 526 3HD1 LEU 526 -9.801 -2.285 3.600 198 1HD2 LEU 526 1HD2 LEU 526 -6.960 -1.839 2.710 199 2HD2 LEU 526 2HD2 LEU 526 -8.416 -1.081 2.062 200 3HD2 LEU 526 3HD2 LEU 526 -7.299 -1.920 0.987 201 H ARG 527 H ARG 527 -7.069 -6.807 4.231 202 HA ARG 527 HA ARG 527 -4.752 -8.254 3.308 203 1HB ARG 527 1HB ARG 527 -5.616 -8.566 5.610 204 2HB ARG 527 2HB ARG 527 -7.099 -9.231 4.946 205 1HG ARG 527 1HG ARG 527 -5.666 -10.972 3.821 206 2HG ARG 527 2HG ARG 527 -4.334 -10.409 4.822 207 1HD ARG 527 1HD ARG 527 -5.327 -12.298 5.846 208 2HD ARG 527 2HD ARG 527 -5.733 -10.891 6.810 209 HE ARG 527 HE ARG 527 -7.809 -11.176 5.046 210 1HH1 ARG 527 1HH1 ARG 527 -6.414 -13.128 7.658 211 2HH1 ARG 527 2HH1 ARG 527 -7.831 -14.045 7.902 212 1HH2 ARG 527 1HH2 ARG 527 -9.760 -12.420 5.410 213 2HH2 ARG 527 2HH2 ARG 527 -9.750 -13.635 6.616 214 H THR 528 H THR 528 -4.781 -10.011 2.038 215 HA THR 528 HA THR 528 -6.246 -10.338 -0.186 216 HB THR 528 HB THR 528 -4.174 -11.426 -0.008 217 HG1 THR 528 HG1 THR 528 -5.185 -13.839 0.051 218 1HG2 THR 528 1HG2 THR 528 -3.670 -13.223 1.587 219 2HG2 THR 528 2HG2 THR 528 -5.270 -13.022 2.296 220 3HG2 THR 528 3HG2 THR 528 -4.082 -11.725 2.432 221 H SER 529 H SER 529 -7.923 -11.588 -0.864 222 HA SER 529 HA SER 529 -10.070 -12.222 0.776 223 1HB SER 529 1HB SER 529 -9.333 -13.143 -1.995 224 2HB SER 529 2HB SER 529 -10.961 -13.104 -1.323 225 HG SER 529 HG SER 529 -10.267 -10.748 -0.938 226 H GLY 530 H GLY 530 -7.408 -14.122 -0.575 227 1HA GLY 530 1HA GLY 530 -8.374 -16.452 0.893 228 2HA GLY 530 2HA GLY 530 -7.277 -16.497 -0.492 229 H ALA 531 H ALA 531 -7.518 -16.241 2.872 230 HA ALA 531 HA ALA 531 -4.633 -15.781 2.980 231 1HB ALA 531 1HB ALA 531 -6.617 -14.966 5.090 232 2HB ALA 531 2HB ALA 531 -5.908 -13.870 3.918 233 3HB ALA 531 3HB ALA 531 -4.881 -14.667 5.111 234 H ARG 532 H ARG 532 -4.913 -18.212 2.649 235 HA ARG 532 HA ARG 532 -4.931 -19.415 5.329 236 1HB ARG 532 1HB ARG 532 -5.337 -20.859 2.694 237 2HB ARG 532 2HB ARG 532 -5.441 -21.565 4.295 238 1HG ARG 532 1HG ARG 532 -7.311 -19.499 3.170 239 2HG ARG 532 2HG ARG 532 -7.646 -21.226 3.282 240 1HD ARG 532 1HD ARG 532 -7.485 -21.066 5.724 241 2HD ARG 532 2HD ARG 532 -7.179 -19.333 5.584 242 HE ARG 532 HE ARG 532 -9.528 -19.981 4.201 243 1HH1 ARG 532 1HH1 ARG 532 -8.383 -19.598 7.516 244 2HH1 ARG 532 2HH1 ARG 532 -9.889 -19.273 8.193 245 1HH2 ARG 532 1HH2 ARG 532 -11.645 -19.464 5.077 246 2HH2 ARG 532 2HH2 ARG 532 -11.811 -19.122 6.721 247 H GLY 533 H GLY 533 -2.832 -18.969 5.751 248 1HA GLY 533 1HA GLY 533 -0.737 -20.464 5.292 249 2HA GLY 533 2HA GLY 533 -0.866 -19.663 3.743 250 H ASN 534 H ASN 534 0.846 -18.402 3.762 251 HA ASN 534 HA ASN 534 0.841 -16.141 5.584 252 1HB ASN 534 1HB ASN 534 2.286 -17.919 6.582 253 2HB ASN 534 2HB ASN 534 3.266 -17.918 5.128 254 1HD2 ASN 534 1HD2 ASN 534 1.977 -14.997 6.683 255 2HD2 ASN 534 2HD2 ASN 534 3.499 -14.437 7.224 256 H VAL 535 H VAL 535 1.357 -14.304 4.441 257 HA VAL 535 HA VAL 535 2.576 -14.569 1.782 258 HB VAL 535 HB VAL 535 0.148 -12.836 2.442 259 1HG1 VAL 535 1HG1 VAL 535 1.593 -13.226 -0.176 260 2HG1 VAL 535 2HG1 VAL 535 1.576 -11.738 0.773 261 3HG1 VAL 535 3HG1 VAL 535 0.098 -12.327 0.010 262 1HG2 VAL 535 1HG2 VAL 535 -1.039 -14.257 0.812 263 2HG2 VAL 535 2HG2 VAL 535 -0.491 -15.149 2.241 264 3HG2 VAL 535 3HG2 VAL 535 0.410 -15.263 0.724 265 H ILE 536 H ILE 536 4.100 -13.088 1.418 266 HA ILE 536 HA ILE 536 4.517 -11.016 3.468 267 HB ILE 536 HB ILE 536 6.520 -12.260 1.549 268 1HG1 ILE 536 1HG1 ILE 536 5.944 -13.704 3.450 269 2HG1 ILE 536 2HG1 ILE 536 7.602 -13.125 3.572 270 1HG2 ILE 536 1HG2 ILE 536 7.045 -9.893 1.872 271 2HG2 ILE 536 2HG2 ILE 536 8.229 -10.903 2.696 272 3HG2 ILE 536 3HG2 ILE 536 6.945 -10.115 3.617 273 1HD1 ILE 536 1HD1 ILE 536 6.869 -11.419 5.143 274 2HD1 ILE 536 2HD1 ILE 536 6.517 -13.054 5.733 275 3HD1 ILE 536 3HD1 ILE 536 5.226 -12.043 5.055 276 H VAL 537 H VAL 537 4.393 -8.967 2.941 277 HA VAL 537 HA VAL 537 4.213 -8.332 0.085 278 HB VAL 537 HB VAL 537 2.903 -6.734 2.293 279 1HG1 VAL 537 1HG1 VAL 537 2.521 -6.664 -0.689 280 2HG1 VAL 537 2HG1 VAL 537 3.325 -5.449 0.304 281 3HG1 VAL 537 3HG1 VAL 537 1.592 -5.728 0.484 282 1HG2 VAL 537 1HG2 VAL 537 1.673 -8.856 0.539 283 2HG2 VAL 537 2HG2 VAL 537 0.756 -7.739 1.546 284 3HG2 VAL 537 3HG2 VAL 537 1.854 -8.903 2.288 285 HA PRO 538 HA PRO 538 7.855 -5.918 1.425 286 1HB PRO 538 1HB PRO 538 8.883 -5.630 -1.085 287 2HB PRO 538 2HB PRO 538 9.159 -7.070 -0.098 288 1HG PRO 538 1HG PRO 538 7.298 -6.638 -2.377 289 2HG PRO 538 2HG PRO 538 8.192 -8.095 -1.912 290 1HD PRO 538 1HD PRO 538 5.517 -7.666 -1.429 291 2HD PRO 538 2HD PRO 538 6.534 -8.796 -0.516 292 H TYR 539 H TYR 539 8.084 -3.730 1.509 293 HA TYR 539 HA TYR 539 6.674 -2.067 -0.434 294 1HB TYR 539 1HB TYR 539 5.490 -0.798 1.266 295 2HB TYR 539 2HB TYR 539 5.107 -2.507 1.424 296 HD1 TYR 539 HD1 TYR 539 5.802 -3.774 3.353 297 HD2 TYR 539 HD2 TYR 539 6.796 0.341 3.020 298 HE1 TYR 539 HE1 TYR 539 6.381 -3.721 5.735 299 HE2 TYR 539 HE2 TYR 539 7.389 0.400 5.402 300 HH TYR 539 HH TYR 539 7.828 -2.390 7.223 301 H LYS 540 H LYS 540 7.306 0.195 -0.283 302 HA LYS 540 HA LYS 540 9.424 0.902 1.467 303 1HB LYS 540 1HB LYS 540 11.036 1.568 -0.357 304 2HB LYS 540 2HB LYS 540 10.858 -0.155 -0.109 305 1HG LYS 540 1HG LYS 540 11.004 0.186 -2.435 306 2HG LYS 540 2HG LYS 540 9.310 -0.168 -2.101 307 1HD LYS 540 1HD LYS 540 8.793 2.219 -2.234 308 2HD LYS 540 2HD LYS 540 10.497 2.576 -2.523 309 1HE LYS 540 1HE LYS 540 8.704 0.916 -4.291 310 2HE LYS 540 2HE LYS 540 9.217 2.572 -4.605 311 1HZ LYS 540 1HZ LYS 540 10.988 0.189 -4.449 312 2HZ LYS 540 2HZ LYS 540 11.520 1.773 -4.671 313 3HZ LYS 540 3HZ LYS 540 10.546 1.037 -5.842 314 H THR 541 H THR 541 10.062 3.131 1.305 315 HA THR 541 HA THR 541 7.781 4.812 0.656 316 HB THR 541 HB THR 541 9.120 6.508 1.937 317 HG1 THR 541 HG1 THR 541 11.095 5.315 1.478 318 1HG2 THR 541 1HG2 THR 541 7.396 5.163 3.057 319 2HG2 THR 541 2HG2 THR 541 8.769 5.455 4.132 320 3HG2 THR 541 3HG2 THR 541 8.589 3.892 3.333 321 H ILE 542 H ILE 542 7.802 6.047 -1.152 322 HA ILE 542 HA ILE 542 10.334 6.649 -2.477 323 HB ILE 542 HB ILE 542 7.489 7.344 -3.296 324 1HG1 ILE 542 1HG1 ILE 542 8.008 5.757 -5.282 325 2HG1 ILE 542 2HG1 ILE 542 9.300 5.139 -4.262 326 1HG2 ILE 542 1HG2 ILE 542 9.024 8.990 -4.137 327 2HG2 ILE 542 2HG2 ILE 542 8.394 8.019 -5.467 328 3HG2 ILE 542 3HG2 ILE 542 10.030 7.736 -4.867 329 1HD1 ILE 542 1HD1 ILE 542 6.373 5.153 -3.595 330 2HD1 ILE 542 2HD1 ILE 542 7.659 4.501 -2.580 331 3HD1 ILE 542 3HD1 ILE 542 7.304 3.759 -4.145 332 H GLU 543 H GLU 543 11.342 8.313 -1.697 333 HA GLU 543 HA GLU 543 10.479 10.092 0.208 334 1HB GLU 543 1HB GLU 543 12.593 10.811 -1.823 335 2HB GLU 543 2HB GLU 543 12.455 11.383 -0.174 336 1HG GLU 543 1HG GLU 543 14.189 9.872 -0.023 337 2HG GLU 543 2HG GLU 543 12.801 8.889 0.444 338 H GLY 544 H GLY 544 10.814 10.767 -3.257 339 1HA GLY 544 1HA GLY 544 9.648 12.207 -4.617 340 2HA GLY 544 2HA GLY 544 8.454 12.354 -3.334 341 H THR 545 H THR 545 8.514 14.069 -1.986 342 HA THR 545 HA THR 545 10.546 16.105 -2.571 343 HB THR 545 HB THR 545 8.340 16.865 -3.318 344 HG1 THR 545 HG1 THR 545 9.505 18.542 -2.483 345 1HG2 THR 545 1HG2 THR 545 7.405 16.396 -0.503 346 2HG2 THR 545 2HG2 THR 545 6.925 15.474 -1.928 347 3HG2 THR 545 3HG2 THR 545 6.459 17.171 -1.772 348 H ALA 546 H ALA 546 9.692 13.866 -0.342 349 HA ALA 546 HA ALA 546 10.547 15.379 1.982 350 1HB ALA 546 1HB ALA 546 10.023 13.319 3.193 351 2HB ALA 546 2HB ALA 546 9.742 12.490 1.667 352 3HB ALA 546 3HB ALA 546 8.655 13.779 2.172 353 H ARG 547 H ARG 547 12.272 14.030 3.327 354 HA ARG 547 HA ARG 547 14.302 13.112 1.411 355 1HB ARG 547 1HB ARG 547 14.477 15.532 2.409 356 2HB ARG 547 2HB ARG 547 14.987 14.712 3.870 357 1HG ARG 547 1HG ARG 547 16.366 14.525 1.191 358 2HG ARG 547 2HG ARG 547 16.864 15.548 2.535 359 1HD ARG 547 1HD ARG 547 17.216 13.589 3.893 360 2HD ARG 547 2HD ARG 547 16.667 12.568 2.574 361 HE ARG 547 HE ARG 547 18.720 14.117 1.584 362 1HH1 ARG 547 1HH1 ARG 547 18.383 11.605 4.050 363 2HH1 ARG 547 2HH1 ARG 547 19.981 11.044 3.906 364 1HH2 ARG 547 1HH2 ARG 547 20.900 13.384 1.394 365 2HH2 ARG 547 2HH2 ARG 547 21.483 12.107 2.361 366 H GLY 548 H GLY 548 14.996 11.122 1.893 367 1HA GLY 548 1HA GLY 548 14.099 9.803 4.305 368 2HA GLY 548 2HA GLY 548 14.968 9.068 2.969 369 H GLY 549 H GLY 549 16.127 7.965 4.745 370 1HA GLY 549 1HA GLY 549 18.128 7.657 5.769 371 2HA GLY 549 2HA GLY 549 18.586 9.290 5.311 372 H GLY 550 H GLY 550 15.580 8.991 6.997 373 1HA GLY 550 1HA GLY 550 14.971 9.635 9.074 374 2HA GLY 550 2HA GLY 550 16.607 9.259 9.602 375 H GLU 551 H GLU 551 15.845 11.450 7.049 376 HA GLU 551 HA GLU 551 17.180 13.612 8.495 377 1HB GLU 551 1HB GLU 551 17.852 12.954 6.165 378 2HB GLU 551 2HB GLU 551 16.265 13.494 5.635 379 1HG GLU 551 1HG GLU 551 17.867 15.208 5.180 380 2HG GLU 551 2HG GLU 551 16.795 15.748 6.471 381 H ASP 552 H ASP 552 14.457 13.358 6.232 382 HA ASP 552 HA ASP 552 13.013 15.396 7.783 383 1HB ASP 552 1HB ASP 552 13.415 15.621 5.242 384 2HB ASP 552 2HB ASP 552 12.292 14.279 5.070 385 H PHE 553 H PHE 553 12.904 12.172 6.409 386 HA PHE 553 HA PHE 553 11.102 11.396 8.510 387 1HB PHE 553 1HB PHE 553 9.513 10.325 7.140 388 2HB PHE 553 2HB PHE 553 9.749 11.905 6.417 389 HD1 PHE 553 HD1 PHE 553 9.634 8.437 5.878 390 HD2 PHE 553 HD2 PHE 553 11.398 11.996 4.412 391 HE1 PHE 553 HE1 PHE 553 10.016 7.339 3.709 392 HE2 PHE 553 HE2 PHE 553 11.798 10.908 2.232 393 HZ PHE 553 HZ PHE 553 11.101 8.573 1.884 394 H GLU 554 H GLU 554 11.046 8.994 8.648 395 HA GLU 554 HA GLU 554 13.658 7.901 8.080 396 1HB GLU 554 1HB GLU 554 12.674 7.831 10.373 397 2HB GLU 554 2HB GLU 554 11.318 6.946 9.718 398 1HG GLU 554 1HG GLU 554 14.055 5.774 9.505 399 2HG GLU 554 2HG GLU 554 13.223 5.777 11.059 400 H ASP 555 H ASP 555 13.780 7.103 6.138 401 HA ASP 555 HA ASP 555 11.517 6.213 4.627 402 1HB ASP 555 1HB ASP 555 13.089 5.672 2.845 403 2HB ASP 555 2HB ASP 555 13.508 7.243 3.511 404 H THR 556 H THR 556 10.944 4.149 4.162 405 HA THR 556 HA THR 556 12.472 2.172 5.562 406 HB THR 556 HB THR 556 10.850 2.908 7.193 407 HG1 THR 556 HG1 THR 556 10.094 0.950 7.756 408 1HG2 THR 556 1HG2 THR 556 8.751 2.166 5.154 409 2HG2 THR 556 2HG2 THR 556 9.100 3.775 5.807 410 3HG2 THR 556 3HG2 THR 556 8.437 2.532 6.859 411 H CYS 557 H CYS 557 12.521 0.273 4.704 412 HA CYS 557 HA CYS 557 10.630 -0.459 2.637 413 1HB CYS 557 1HB CYS 557 12.512 -1.563 1.409 414 2HB CYS 557 2HB CYS 557 12.667 0.191 1.485 415 HG CYS 557 HG CYS 557 14.284 -0.840 4.044 416 H GLY 558 H GLY 558 9.689 -2.328 3.194 417 1HA GLY 558 1HA GLY 558 11.071 -4.090 5.013 418 2HA GLY 558 2HA GLY 558 9.622 -3.284 5.607 419 H GLU 559 H GLU 559 9.034 -5.574 5.795 420 HA GLU 559 HA GLU 559 7.655 -6.431 3.391 421 1HB GLU 559 1HB GLU 559 9.615 -8.027 5.007 422 2HB GLU 559 2HB GLU 559 8.441 -8.800 3.935 423 1HG GLU 559 1HG GLU 559 9.420 -7.716 2.039 424 2HG GLU 559 2HG GLU 559 10.514 -6.782 3.065 425 H LEU 560 H LEU 560 5.624 -6.306 4.051 426 HA LEU 560 HA LEU 560 4.847 -6.649 6.778 427 1HB LEU 560 1HB LEU 560 3.174 -6.426 4.284 428 2HB LEU 560 2HB LEU 560 2.530 -6.455 5.904 429 HG LEU 560 HG LEU 560 4.290 -4.301 4.734 430 1HD1 LEU 560 1HD1 LEU 560 2.017 -4.319 3.840 431 2HD1 LEU 560 2HD1 LEU 560 2.310 -2.919 4.873 432 3HD1 LEU 560 3HD1 LEU 560 1.375 -4.283 5.486 433 1HD2 LEU 560 1HD2 LEU 560 4.699 -4.553 7.126 434 2HD2 LEU 560 2HD2 LEU 560 2.966 -4.489 7.438 435 3HD2 LEU 560 3HD2 LEU 560 3.798 -3.073 6.802 436 H GLU 561 H GLU 561 3.949 -8.364 7.718 437 HA GLU 561 HA GLU 561 3.879 -10.809 6.134 438 1HB GLU 561 1HB GLU 561 5.451 -10.864 7.977 439 2HB GLU 561 2HB GLU 561 4.191 -10.405 9.109 440 1HG GLU 561 1HG GLU 561 3.038 -12.507 8.692 441 2HG GLU 561 2HG GLU 561 4.274 -12.924 7.504 442 H PHE 562 H PHE 562 1.947 -11.372 5.490 443 HA PHE 562 HA PHE 562 -0.340 -11.029 7.305 444 1HB PHE 562 1HB PHE 562 -0.188 -11.270 4.307 445 2HB PHE 562 2HB PHE 562 -1.676 -11.546 5.192 446 HD1 PHE 562 HD1 PHE 562 0.812 -9.053 4.196 447 HD2 PHE 562 HD2 PHE 562 -2.930 -9.750 6.095 448 HE1 PHE 562 HE1 PHE 562 0.286 -6.653 4.039 449 HE2 PHE 562 HE2 PHE 562 -3.465 -7.377 5.936 450 HZ PHE 562 HZ PHE 562 -1.854 -5.816 4.906 451 H GLN 563 H GLN 563 -1.682 -12.843 7.595 452 HA GLN 563 HA GLN 563 -1.021 -15.320 6.405 453 1HB GLN 563 1HB GLN 563 -0.419 -16.454 8.530 454 2HB GLN 563 2HB GLN 563 0.779 -15.292 8.016 455 1HG GLN 563 1HG GLN 563 -0.059 -13.683 9.606 456 2HG GLN 563 2HG GLN 563 -1.281 -14.832 10.168 457 1HE2 GLN 563 1HE2 GLN 563 0.666 -17.079 9.877 458 2HE2 GLN 563 2HE2 GLN 563 1.726 -16.918 11.207 459 H ASN 564 H ASN 564 -2.303 -17.040 7.935 460 HA ASN 564 HA ASN 564 -5.015 -16.253 7.579 461 1HB ASN 564 1HB ASN 564 -4.321 -18.556 7.212 462 2HB ASN 564 2HB ASN 564 -3.817 -18.714 8.884 463 1HD2 ASN 564 1HD2 ASN 564 -5.353 -19.129 10.426 464 2HD2 ASN 564 2HD2 ASN 564 -7.007 -19.437 10.050 465 H ASP 565 H ASP 565 -2.869 -16.392 10.251 466 HA ASP 565 HA ASP 565 -4.895 -15.948 12.248 467 1HB ASP 565 1HB ASP 565 -2.885 -17.253 12.785 468 2HB ASP 565 2HB ASP 565 -1.870 -15.867 12.422 469 H GLU 566 H GLU 566 -3.738 -13.981 9.943 470 HA GLU 566 HA GLU 566 -3.701 -11.608 11.677 471 1HB GLU 566 1HB GLU 566 -1.491 -12.137 10.732 472 2HB GLU 566 2HB GLU 566 -2.176 -12.113 9.120 473 1HG GLU 566 1HG GLU 566 -0.998 -10.066 9.499 474 2HG GLU 566 2HG GLU 566 -2.725 -9.720 9.439 475 H ILE 567 H ILE 567 -4.967 -9.909 11.018 476 HA ILE 567 HA ILE 567 -6.003 -9.893 8.307 477 HB ILE 567 HB ILE 567 -8.161 -9.036 8.966 478 1HG1 ILE 567 1HG1 ILE 567 -7.910 -9.551 11.862 479 2HG1 ILE 567 2HG1 ILE 567 -6.990 -8.182 11.248 480 1HG2 ILE 567 1HG2 ILE 567 -9.198 -10.958 10.076 481 2HG2 ILE 567 2HG2 ILE 567 -7.586 -11.537 10.521 482 3HG2 ILE 567 3HG2 ILE 567 -8.039 -11.424 8.823 483 1HD1 ILE 567 1HD1 ILE 567 -9.933 -8.618 10.882 484 2HD1 ILE 567 2HD1 ILE 567 -8.944 -7.301 10.231 485 3HD1 ILE 567 3HD1 ILE 567 -9.154 -7.456 11.983 486 H VAL 568 H VAL 568 -6.423 -7.746 7.598 487 HA VAL 568 HA VAL 568 -5.468 -5.770 7.077 488 HB VAL 568 HB VAL 568 -7.190 -5.465 9.052 489 1HG1 VAL 568 1HG1 VAL 568 -5.805 -5.803 10.920 490 2HG1 VAL 568 2HG1 VAL 568 -6.380 -4.133 10.935 491 3HG1 VAL 568 3HG1 VAL 568 -4.734 -4.497 10.421 492 1HG2 VAL 568 1HG2 VAL 568 -6.961 -3.019 8.935 493 2HG2 VAL 568 2HG2 VAL 568 -6.905 -3.807 7.350 494 3HG2 VAL 568 3HG2 VAL 568 -5.418 -3.240 8.116 495 H LYS 569 H LYS 569 -3.731 -3.910 8.065 496 HA LYS 569 HA LYS 569 -1.660 -4.847 9.731 497 1HB LYS 569 1HB LYS 569 -1.309 -6.153 7.463 498 2HB LYS 569 2HB LYS 569 -0.825 -4.601 6.852 499 1HG LYS 569 1HG LYS 569 1.157 -5.783 7.325 500 2HG LYS 569 2HG LYS 569 1.002 -4.551 8.567 501 1HD LYS 569 1HD LYS 569 0.072 -7.384 9.049 502 2HD LYS 569 2HD LYS 569 1.761 -6.958 9.239 503 1HE LYS 569 1HE LYS 569 1.033 -5.220 10.924 504 2HE LYS 569 2HE LYS 569 -0.597 -5.855 10.778 505 1HZ LYS 569 1HZ LYS 569 1.725 -7.451 11.660 506 2HZ LYS 569 2HZ LYS 569 0.114 -7.958 11.653 507 3HZ LYS 569 3HZ LYS 569 0.613 -6.720 12.668 508 H THR 570 H THR 570 0.179 -3.188 9.750 509 HA THR 570 HA THR 570 -0.685 -0.669 8.579 510 HB THR 570 HB THR 570 0.387 0.438 10.552 511 HG1 THR 570 HG1 THR 570 0.824 -0.641 12.354 512 1HG2 THR 570 1HG2 THR 570 -2.032 0.338 10.380 513 2HG2 THR 570 2HG2 THR 570 -1.529 0.168 12.061 514 3HG2 THR 570 3HG2 THR 570 -2.040 -1.253 11.144 515 H ILE 571 H ILE 571 0.887 0.534 7.661 516 HA ILE 571 HA ILE 571 3.597 -0.528 7.640 517 HB ILE 571 HB ILE 571 2.387 1.883 6.199 518 1HG1 ILE 571 1HG1 ILE 571 3.039 0.602 4.110 519 2HG1 ILE 571 2HG1 ILE 571 3.361 -0.781 5.145 520 1HG2 ILE 571 1HG2 ILE 571 5.192 0.828 5.965 521 2HG2 ILE 571 2HG2 ILE 571 4.703 2.259 6.853 522 3HG2 ILE 571 3HG2 ILE 571 4.505 2.209 5.096 523 1HD1 ILE 571 1HD1 ILE 571 1.045 -0.822 5.812 524 2HD1 ILE 571 2HD1 ILE 571 1.215 -0.931 4.059 525 3HD1 ILE 571 3HD1 ILE 571 0.716 0.591 4.812 526 H SER 572 H SER 572 4.993 0.194 9.118 527 HA SER 572 HA SER 572 4.234 2.488 10.745 528 1HB SER 572 1HB SER 572 6.492 0.519 11.172 529 2HB SER 572 2HB SER 572 5.770 1.614 12.355 530 HG SER 572 HG SER 572 4.672 -0.686 11.163 531 H VAL 573 H VAL 573 4.998 4.388 9.943 532 HA VAL 573 HA VAL 573 7.803 4.457 9.011 533 HB VAL 573 HB VAL 573 5.548 6.261 8.060 534 1HG1 VAL 573 1HG1 VAL 573 8.432 6.147 7.173 535 2HG1 VAL 573 2HG1 VAL 573 7.689 7.433 8.123 536 3HG1 VAL 573 3HG1 VAL 573 7.178 7.163 6.457 537 1HG2 VAL 573 1HG2 VAL 573 5.914 5.199 5.854 538 2HG2 VAL 573 2HG2 VAL 573 5.307 4.099 7.085 539 3HG2 VAL 573 3HG2 VAL 573 7.015 4.057 6.631 540 H LYS 574 H LYS 574 9.107 5.819 10.041 541 HA LYS 574 HA LYS 574 7.946 7.408 12.180 542 1HB LYS 574 1HB LYS 574 9.727 6.024 12.908 543 2HB LYS 574 2HB LYS 574 10.772 6.514 11.594 544 1HG LYS 574 1HG LYS 574 10.985 8.722 12.553 545 2HG LYS 574 2HG LYS 574 9.869 8.302 13.856 546 1HD LYS 574 1HD LYS 574 12.482 6.910 13.304 547 2HD LYS 574 2HD LYS 574 12.301 8.218 14.477 548 1HE LYS 574 1HE LYS 574 10.643 6.834 15.695 549 2HE LYS 574 2HE LYS 574 10.907 5.533 14.538 550 1HZ LYS 574 1HZ LYS 574 12.167 5.237 16.589 551 2HZ LYS 574 2HZ LYS 574 13.001 6.672 16.313 552 3HZ LYS 574 3HZ LYS 574 13.183 5.364 15.258 553 H VAL 575 H VAL 575 7.861 9.521 12.206 554 HA VAL 575 HA VAL 575 8.906 10.962 9.889 555 HB VAL 575 HB VAL 575 6.901 11.855 12.009 556 1HG1 VAL 575 1HG1 VAL 575 6.457 13.768 10.538 557 2HG1 VAL 575 2HG1 VAL 575 7.715 13.217 9.433 558 3HG1 VAL 575 3HG1 VAL 575 8.142 13.754 11.058 559 1HG2 VAL 575 1HG2 VAL 575 6.477 11.026 9.138 560 2HG2 VAL 575 2HG2 VAL 575 5.231 11.652 10.218 561 3HG2 VAL 575 3HG2 VAL 575 6.007 10.106 10.567 562 H ILE 576 H ILE 576 10.399 12.629 10.134 563 HA ILE 576 HA ILE 576 11.765 12.653 12.726 564 HB ILE 576 HB ILE 576 12.841 13.554 10.018 565 1HG1 ILE 576 1HG1 ILE 576 12.346 11.147 9.930 566 2HG1 ILE 576 2HG1 ILE 576 14.073 11.456 9.857 567 1HG2 ILE 576 1HG2 ILE 576 15.056 13.382 11.048 568 2HG2 ILE 576 2HG2 ILE 576 14.318 12.892 12.570 569 3HG2 ILE 576 3HG2 ILE 576 14.030 14.513 11.934 570 1HD1 ILE 576 1HD1 ILE 576 14.209 10.854 12.230 571 2HD1 ILE 576 2HD1 ILE 576 13.624 9.566 11.161 572 3HD1 ILE 576 3HD1 ILE 576 12.477 10.461 12.188 573 H ASP 577 H ASP 577 12.590 14.764 13.319 574 HA ASP 577 HA ASP 577 10.641 16.836 13.023 575 1HB ASP 577 1HB ASP 577 13.387 16.867 14.299 576 2HB ASP 577 2HB ASP 577 12.306 18.256 14.286 577 H ASP 578 H ASP 578 10.643 18.593 11.753 578 HA ASP 578 HA ASP 578 12.044 18.354 9.291 579 1HB ASP 578 1HB ASP 578 9.777 19.715 10.135 580 2HB ASP 578 2HB ASP 578 10.925 20.980 9.706 581 H GLU 579 H GLU 579 13.640 19.456 8.458 582 HA GLU 579 HA GLU 579 15.327 20.947 10.323 583 1HB GLU 579 1HB GLU 579 17.090 19.843 8.600 584 2HB GLU 579 2HB GLU 579 16.620 19.157 10.144 585 1HG GLU 579 1HG GLU 579 16.616 17.488 8.305 586 2HG GLU 579 2HG GLU 579 15.047 17.658 9.073 587 H GLU 580 H GLU 580 14.231 20.935 6.930 588 HA GLU 580 HA GLU 580 16.257 22.940 6.382 589 1HB GLU 580 1HB GLU 580 15.988 22.531 4.010 590 2HB GLU 580 2HB GLU 580 16.177 20.999 4.824 591 1HG GLU 580 1HG GLU 580 13.622 22.157 3.689 592 2HG GLU 580 2HG GLU 580 14.578 20.851 3.008 593 H TYR 581 H TYR 581 12.804 22.560 5.635 594 HA TYR 581 HA TYR 581 12.157 25.158 6.464 595 1HB TYR 581 1HB TYR 581 11.490 26.147 4.333 596 2HB TYR 581 2HB TYR 581 13.181 25.684 4.189 597 HD1 TYR 581 HD1 TYR 581 13.853 24.065 2.548 598 HD2 TYR 581 HD2 TYR 581 9.751 24.828 3.270 599 HE1 TYR 581 HE1 TYR 581 13.253 22.765 0.542 600 HE2 TYR 581 HE2 TYR 581 9.126 23.577 1.374 601 HH TYR 581 HH TYR 581 10.183 22.882 -0.807 602 H GLU 582 H GLU 582 9.782 25.389 6.346 603 HA GLU 582 HA GLU 582 8.651 22.710 6.467 604 1HB GLU 582 1HB GLU 582 7.266 25.278 7.224 605 2HB GLU 582 2HB GLU 582 6.809 23.645 7.663 606 1HG GLU 582 1HG GLU 582 9.177 25.198 8.665 607 2HG GLU 582 2HG GLU 582 7.745 24.728 9.574 608 H LYS 583 H LYS 583 6.941 21.930 5.351 609 HA LYS 583 HA LYS 583 5.275 23.452 3.663 610 1HB LYS 583 1HB LYS 583 5.904 22.515 1.550 611 2HB LYS 583 2HB LYS 583 7.321 23.315 2.222 612 1HG LYS 583 1HG LYS 583 8.267 21.192 2.893 613 2HG LYS 583 2HG LYS 583 6.796 20.353 2.404 614 1HD LYS 583 1HD LYS 583 8.624 21.876 0.588 615 2HD LYS 583 2HD LYS 583 8.631 20.118 0.798 616 1HE LYS 583 1HE LYS 583 6.319 20.036 -0.054 617 2HE LYS 583 2HE LYS 583 6.334 21.786 -0.255 618 1HZ LYS 583 1HZ LYS 583 8.070 19.859 -1.710 619 2HZ LYS 583 2HZ LYS 583 8.147 21.522 -1.860 620 3HZ LYS 583 3HZ LYS 583 6.771 20.708 -2.348 621 H ASN 584 H ASN 584 3.823 21.818 2.511 622 HA ASN 584 HA ASN 584 3.539 19.489 4.223 623 1HB ASN 584 1HB ASN 584 1.745 20.452 1.972 624 2HB ASN 584 2HB ASN 584 1.433 19.037 2.962 625 1HD2 ASN 584 1HD2 ASN 584 2.425 20.431 5.381 626 2HD2 ASN 584 2HD2 ASN 584 1.131 21.538 5.786 627 H LYS 585 H LYS 585 5.414 18.570 3.590 628 HA LYS 585 HA LYS 585 5.760 17.838 0.833 629 1HB LYS 585 1HB LYS 585 7.963 17.287 1.334 630 2HB LYS 585 2HB LYS 585 7.639 18.395 2.639 631 1HG LYS 585 1HG LYS 585 7.660 15.390 2.792 632 2HG LYS 585 2HG LYS 585 8.910 16.470 3.387 633 1HD LYS 585 1HD LYS 585 6.091 16.240 4.380 634 2HD LYS 585 2HD LYS 585 7.545 15.519 5.106 635 1HE LYS 585 1HE LYS 585 7.012 18.504 4.836 636 2HE LYS 585 2HE LYS 585 6.836 17.583 6.325 637 1HZ LYS 585 1HZ LYS 585 9.269 17.007 6.042 638 2HZ LYS 585 2HZ LYS 585 8.963 18.627 6.404 639 3HZ LYS 585 3HZ LYS 585 9.335 18.170 4.847 640 H THR 586 H THR 586 6.282 15.370 0.384 641 HA THR 586 HA THR 586 4.585 13.656 1.888 642 HB THR 586 HB THR 586 2.926 14.891 0.679 643 HG1 THR 586 HG1 THR 586 2.724 12.597 0.804 644 1HG2 THR 586 1HG2 THR 586 4.228 15.786 -1.154 645 2HG2 THR 586 2HG2 THR 586 2.795 14.957 -1.762 646 3HG2 THR 586 3HG2 THR 586 4.380 14.173 -1.866 647 H PHE 587 H PHE 587 4.826 11.646 1.521 648 HA PHE 587 HA PHE 587 6.679 10.841 -0.525 649 1HB PHE 587 1HB PHE 587 7.394 9.010 1.202 650 2HB PHE 587 2HB PHE 587 8.130 10.597 1.253 651 HD1 PHE 587 HD1 PHE 587 5.410 8.559 2.913 652 HD2 PHE 587 HD2 PHE 587 8.189 11.756 3.185 653 HE1 PHE 587 HE1 PHE 587 5.001 8.761 5.375 654 HE2 PHE 587 HE2 PHE 587 7.775 11.912 5.595 655 HZ PHE 587 HZ PHE 587 6.179 10.400 6.670 656 H PHE 588 H PHE 588 6.404 8.760 -1.263 657 HA PHE 588 HA PHE 588 3.569 7.993 -1.127 658 1HB PHE 588 1HB PHE 588 5.519 7.219 -3.291 659 2HB PHE 588 2HB PHE 588 3.768 7.255 -3.353 660 HD1 PHE 588 HD1 PHE 588 2.668 9.607 -3.060 661 HD2 PHE 588 HD2 PHE 588 6.707 8.986 -4.197 662 HE1 PHE 588 HE1 PHE 588 2.743 11.872 -4.018 663 HE2 PHE 588 HE2 PHE 588 6.799 11.244 -5.152 664 HZ PHE 588 HZ PHE 588 4.813 12.694 -5.063 665 H LEU 589 H LEU 589 3.100 6.058 -0.333 666 HA LEU 589 HA LEU 589 5.332 4.239 0.235 667 1HB LEU 589 1HB LEU 589 3.418 4.994 1.952 668 2HB LEU 589 2HB LEU 589 2.515 3.750 1.116 669 HG LEU 589 HG LEU 589 3.383 2.887 3.187 670 1HD1 LEU 589 1HD1 LEU 589 4.869 1.679 0.876 671 2HD1 LEU 589 2HD1 LEU 589 3.226 1.294 1.371 672 3HD1 LEU 589 3HD1 LEU 589 4.578 0.915 2.437 673 1HD2 LEU 589 1HD2 LEU 589 6.088 3.614 2.119 674 2HD2 LEU 589 2HD2 LEU 589 5.793 2.654 3.562 675 3HD2 LEU 589 3HD2 LEU 589 5.252 4.337 3.493 676 H GLU 590 H GLU 590 5.582 2.559 -1.070 677 HA GLU 590 HA GLU 590 3.288 1.693 -2.671 678 1HB GLU 590 1HB GLU 590 4.809 2.906 -4.121 679 2HB GLU 590 2HB GLU 590 6.168 1.965 -3.530 680 1HG GLU 590 1HG GLU 590 5.309 -0.025 -4.559 681 2HG GLU 590 2HG GLU 590 3.832 0.814 -5.022 682 H ILE 591 H ILE 591 2.839 -0.334 -2.596 683 HA ILE 591 HA ILE 591 4.726 -2.110 -1.292 684 HB ILE 591 HB ILE 591 2.812 -3.684 -1.069 685 1HG1 ILE 591 1HG1 ILE 591 1.143 -1.402 -2.183 686 2HG1 ILE 591 2HG1 ILE 591 1.436 -2.951 -2.960 687 1HG2 ILE 591 1HG2 ILE 591 2.358 -0.958 0.128 688 2HG2 ILE 591 2HG2 ILE 591 3.303 -2.284 0.818 689 3HG2 ILE 591 3HG2 ILE 591 1.560 -2.432 0.664 690 1HD1 ILE 591 1HD1 ILE 591 0.214 -4.079 -1.171 691 2HD1 ILE 591 2HD1 ILE 591 -0.781 -2.843 -1.951 692 3HD1 ILE 591 3HD1 ILE 591 -0.040 -2.522 -0.384 693 H GLY 592 H GLY 592 5.342 -3.952 -2.341 694 1HA GLY 592 1HA GLY 592 5.195 -3.746 -5.241 695 2HA GLY 592 2HA GLY 592 6.260 -4.801 -4.309 696 H GLU 593 H GLU 593 5.708 -6.593 -5.494 697 HA GLU 593 HA GLU 593 2.980 -7.464 -5.597 698 1HB GLU 593 1HB GLU 593 4.488 -8.009 -7.418 699 2HB GLU 593 2HB GLU 593 5.586 -8.811 -6.309 700 1HG GLU 593 1HG GLU 593 3.620 -10.358 -5.785 701 2HG GLU 593 2HG GLU 593 2.898 -9.703 -7.258 702 HA PRO 594 HA PRO 594 3.426 -9.550 -1.615 703 1HB PRO 594 1HB PRO 594 1.011 -10.801 -1.667 704 2HB PRO 594 2HB PRO 594 1.174 -9.087 -1.272 705 1HG PRO 594 1HG PRO 594 0.406 -10.353 -3.852 706 2HG PRO 594 2HG PRO 594 -0.308 -8.951 -3.043 707 1HD PRO 594 1HD PRO 594 1.429 -8.739 -5.097 708 2HD PRO 594 2HD PRO 594 1.345 -7.531 -3.798 709 H ARG 595 H ARG 595 3.956 -11.708 -1.067 710 HA ARG 595 HA ARG 595 3.921 -13.570 -3.343 711 1HB ARG 595 1HB ARG 595 6.180 -14.274 -2.903 712 2HB ARG 595 2HB ARG 595 6.171 -12.528 -3.068 713 1HG ARG 595 1HG ARG 595 6.181 -12.351 -0.592 714 2HG ARG 595 2HG ARG 595 6.361 -14.103 -0.510 715 1HD ARG 595 1HD ARG 595 8.411 -13.791 -1.995 716 2HD ARG 595 2HD ARG 595 8.246 -12.069 -1.631 717 HE ARG 595 HE ARG 595 8.734 -14.178 0.330 718 1HH1 ARG 595 1HH1 ARG 595 9.076 -10.777 -0.686 719 2HH1 ARG 595 2HH1 ARG 595 10.050 -10.393 0.684 720 1HH2 ARG 595 1HH2 ARG 595 10.163 -13.515 2.161 721 2HH2 ARG 595 2HH2 ARG 595 10.655 -11.881 2.209 722 H LEU 596 H LEU 596 3.470 -15.652 -2.871 723 HA LEU 596 HA LEU 596 2.343 -16.144 -0.259 724 1HB LEU 596 1HB LEU 596 1.790 -17.031 -2.810 725 2HB LEU 596 2HB LEU 596 2.634 -18.404 -2.123 726 HG LEU 596 HG LEU 596 0.400 -18.916 -1.784 727 1HD1 LEU 596 1HD1 LEU 596 1.206 -17.600 0.786 728 2HD1 LEU 596 2HD1 LEU 596 1.540 -19.259 0.289 729 3HD1 LEU 596 3HD1 LEU 596 -0.112 -18.751 0.602 730 1HD2 LEU 596 1HD2 LEU 596 -0.620 -16.883 -2.484 731 2HD2 LEU 596 2HD2 LEU 596 -0.064 -16.044 -1.048 732 3HD2 LEU 596 3HD2 LEU 596 -1.292 -17.308 -0.909 733 H VAL 597 H VAL 597 3.460 -17.156 1.329 734 HA VAL 597 HA VAL 597 6.199 -17.890 0.910 735 HB VAL 597 HB VAL 597 4.417 -18.188 3.354 736 1HG1 VAL 597 1HG1 VAL 597 7.422 -18.449 3.158 737 2HG1 VAL 597 2HG1 VAL 597 6.290 -19.765 3.459 738 3HG1 VAL 597 3HG1 VAL 597 6.478 -18.474 4.649 739 1HG2 VAL 597 1HG2 VAL 597 4.756 -15.877 2.691 740 2HG2 VAL 597 2HG2 VAL 597 6.502 -16.122 2.660 741 3HG2 VAL 597 3HG2 VAL 597 5.626 -16.220 4.187 742 H GLU 598 H GLU 598 3.174 -19.536 0.985 743 HA GLU 598 HA GLU 598 4.584 -22.021 0.494 744 1HB GLU 598 1HB GLU 598 2.759 -23.225 1.687 745 2HB GLU 598 2HB GLU 598 3.811 -22.265 2.715 746 1HG GLU 598 1HG GLU 598 2.105 -20.496 2.773 747 2HG GLU 598 2HG GLU 598 1.048 -21.507 1.784 748 H MET 599 H MET 599 4.338 -22.090 -1.605 749 HA MET 599 HA MET 599 1.594 -22.177 -2.656 750 1HB MET 599 1HB MET 599 2.474 -21.125 -4.782 751 2HB MET 599 2HB MET 599 2.340 -20.066 -3.395 752 1HG MET 599 1HG MET 599 4.370 -19.565 -4.586 753 2HG MET 599 2HG MET 599 4.785 -20.282 -3.038 754 1HE MET 599 1HE MET 599 7.716 -21.441 -5.363 755 2HE MET 599 2HE MET 599 7.280 -20.641 -3.853 756 3HE MET 599 3HE MET 599 6.873 -19.894 -5.399 757 H SER 600 H SER 600 3.977 -24.129 -2.015 758 HA SER 600 HA SER 600 4.284 -25.284 -4.653 759 1HB SER 600 1HB SER 600 5.538 -26.072 -2.045 760 2HB SER 600 2HB SER 600 6.007 -26.613 -3.658 761 HG SER 600 HG SER 600 5.911 -23.890 -3.448 762 H GLU 601 H GLU 601 3.350 -27.046 -5.301 763 HA GLU 601 HA GLU 601 1.975 -28.736 -5.535 764 1HB GLU 601 1HB GLU 601 2.998 -29.531 -2.821 765 2HB GLU 601 2HB GLU 601 1.986 -30.558 -3.822 766 1HG GLU 601 1HG GLU 601 4.755 -29.565 -4.439 767 2HG GLU 601 2HG GLU 601 4.260 -31.215 -4.089 768 H LYS 602 H LYS 602 0.267 -27.289 -5.591 769 HA LYS 602 HA LYS 602 -1.634 -27.713 -3.393 770 1HB LYS 602 1HB LYS 602 -3.038 -26.007 -4.340 771 2HB LYS 602 2HB LYS 602 -1.407 -25.387 -4.438 772 1HG LYS 602 1HG LYS 602 -1.304 -25.660 -6.757 773 2HG LYS 602 2HG LYS 602 -2.676 -26.777 -6.774 774 1HD LYS 602 1HD LYS 602 -4.119 -24.893 -6.011 775 2HD LYS 602 2HD LYS 602 -2.729 -23.824 -6.183 776 1HE LYS 602 1HE LYS 602 -2.626 -24.240 -8.543 777 2HE LYS 602 2HE LYS 602 -3.873 -25.482 -8.432 778 1HZ LYS 602 1HZ LYS 602 -5.453 -23.790 -7.773 779 2HZ LYS 602 2HZ LYS 602 -4.769 -23.344 -9.246 780 3HZ LYS 602 3HZ LYS 602 -4.267 -22.607 -7.821 781 H LYS 603 H LYS 603 -3.978 -28.219 -4.315 782 HA LYS 603 HA LYS 603 -3.579 -30.391 -6.188 783 1HB LYS 603 1HB LYS 603 -5.912 -31.101 -5.600 784 2HB LYS 603 2HB LYS 603 -4.789 -31.080 -4.256 785 1HG LYS 603 1HG LYS 603 -5.762 -28.993 -3.474 786 2HG LYS 603 2HG LYS 603 -6.880 -29.001 -4.836 787 1HD LYS 603 1HD LYS 603 -8.094 -29.826 -2.961 788 2HD LYS 603 2HD LYS 603 -7.736 -31.209 -3.978 789 1HE LYS 603 1HE LYS 603 -6.056 -30.467 -1.578 790 2HE LYS 603 2HE LYS 603 -7.456 -31.513 -1.451 791 1HZ LYS 603 1HZ LYS 603 -4.925 -32.078 -2.955 792 2HZ LYS 603 2HZ LYS 603 -6.294 -33.060 -3.013 793 3HZ LYS 603 3HZ LYS 603 -5.500 -32.816 -1.566 794 H GLY 604 H GLY 604 -3.550 -29.818 -8.185 795 1HA GLY 604 1HA GLY 604 -5.287 -29.306 -9.955 796 2HA GLY 604 2HA GLY 604 -5.415 -27.758 -9.117 797 H GLY 605 H GLY 605 -4.480 -28.366 -11.871 798 1HA GLY 605 1HA GLY 605 -1.941 -26.978 -11.617 799 2HA GLY 605 2HA GLY 605 -1.948 -28.502 -12.491 800 H PHE 606 H PHE 606 -2.683 -25.184 -12.558 801 HA PHE 606 HA PHE 606 -3.688 -25.422 -15.292 802 1HB PHE 606 1HB PHE 606 -3.821 -23.129 -13.312 803 2HB PHE 606 2HB PHE 606 -4.324 -22.996 -14.992 804 HD1 PHE 606 HD1 PHE 606 -6.446 -23.733 -15.686 805 HD2 PHE 606 HD2 PHE 606 -5.053 -24.710 -11.787 806 HE1 PHE 606 HE1 PHE 606 -8.692 -24.542 -15.084 807 HE2 PHE 606 HE2 PHE 606 -7.295 -25.517 -11.188 808 HZ PHE 606 HZ PHE 606 -9.115 -25.433 -12.836 809 H THR 607 H THR 607 -2.872 -23.357 -16.638 810 HA THR 607 HA THR 607 -0.100 -23.819 -16.822 811 HB THR 607 HB THR 607 -0.271 -22.052 -18.618 812 HG1 THR 607 HG1 THR 607 -2.180 -21.132 -18.860 813 1HG2 THR 607 1HG2 THR 607 -1.317 -23.657 -20.186 814 2HG2 THR 607 2HG2 THR 607 -1.911 -24.582 -18.808 815 3HG2 THR 607 3HG2 THR 607 -0.176 -24.437 -19.091 816 H ILE 608 H ILE 608 1.297 -22.961 -15.588 817 HA ILE 608 HA ILE 608 0.936 -20.420 -14.277 818 HB ILE 608 HB ILE 608 3.493 -21.863 -14.620 819 1HG1 ILE 608 1HG1 ILE 608 1.385 -22.618 -12.567 820 2HG1 ILE 608 2HG1 ILE 608 1.872 -23.604 -13.935 821 1HG2 ILE 608 1HG2 ILE 608 3.620 -19.731 -13.410 822 2HG2 ILE 608 2HG2 ILE 608 3.938 -21.026 -12.256 823 3HG2 ILE 608 3HG2 ILE 608 2.353 -20.253 -12.296 824 1HD1 ILE 608 1HD1 ILE 608 4.104 -23.841 -12.951 825 2HD1 ILE 608 2HD1 ILE 608 2.838 -24.441 -11.881 826 3HD1 ILE 608 3HD1 ILE 608 3.587 -22.873 -11.570 827 H THR 609 H THR 609 2.673 -18.774 -14.635 828 HA THR 609 HA THR 609 3.174 -18.409 -17.459 829 HB THR 609 HB THR 609 2.073 -16.846 -15.953 830 HG1 THR 609 HG1 THR 609 3.555 -16.313 -17.946 831 1HG2 THR 609 1HG2 THR 609 3.475 -15.325 -14.523 832 2HG2 THR 609 2HG2 THR 609 4.827 -16.423 -14.805 833 3HG2 THR 609 3HG2 THR 609 3.386 -16.997 -13.968 834 H GLU 610 H GLU 610 4.603 -20.108 -15.364 835 HA GLU 610 HA GLU 610 6.544 -20.899 -14.777 836 1HB GLU 610 1HB GLU 610 7.140 -19.872 -17.454 837 2HB GLU 610 2HB GLU 610 8.337 -20.845 -16.567 838 1HG GLU 610 1HG GLU 610 6.492 -22.582 -16.384 839 2HG GLU 610 2HG GLU 610 5.586 -21.606 -17.535 840 H GLU 611 H GLU 611 6.333 -17.638 -14.768 841 HA GLU 611 HA GLU 611 8.974 -17.066 -13.836 842 1HB GLU 611 1HB GLU 611 6.412 -15.597 -13.142 843 2HB GLU 611 2HB GLU 611 8.045 -14.965 -13.044 844 1HG GLU 611 1HG GLU 611 6.648 -15.751 -15.572 845 2HG GLU 611 2HG GLU 611 6.761 -14.094 -14.964 846 H TYR 612 H TYR 612 9.431 -18.614 -12.377 847 HA TYR 612 HA TYR 612 7.631 -19.119 -10.147 848 1HB TYR 612 1HB TYR 612 8.567 -20.906 -11.702 849 2HB TYR 612 2HB TYR 612 10.123 -20.592 -10.953 850 HD1 TYR 612 HD1 TYR 612 6.727 -21.764 -10.378 851 HD2 TYR 612 HD2 TYR 612 10.643 -21.508 -8.849 852 HE1 TYR 612 HE1 TYR 612 6.126 -23.422 -8.647 853 HE2 TYR 612 HE2 TYR 612 10.091 -23.163 -7.091 854 HH TYR 612 HH TYR 612 8.154 -24.083 -5.954 855 H ASP 613 H ASP 613 8.129 -18.361 -8.170 856 HA ASP 613 HA ASP 613 9.207 -17.642 -6.360 857 1HB ASP 613 1HB ASP 613 10.950 -19.296 -6.620 858 2HB ASP 613 2HB ASP 613 11.753 -18.309 -7.836 859 H ASP 614 H ASP 614 10.861 -16.538 -9.172 860 HA ASP 614 HA ASP 614 11.965 -14.182 -8.394 861 1HB ASP 614 1HB ASP 614 12.365 -15.077 -10.575 862 2HB ASP 614 2HB ASP 614 10.677 -14.808 -11.009 863 H LYS 615 H LYS 615 11.226 -12.565 -7.436 864 HA LYS 615 HA LYS 615 8.458 -11.810 -7.529 865 1HB LYS 615 1HB LYS 615 9.166 -10.181 -5.762 866 2HB LYS 615 2HB LYS 615 9.432 -11.876 -5.362 867 1HG LYS 615 1HG LYS 615 11.817 -11.554 -6.045 868 2HG LYS 615 2HG LYS 615 11.468 -9.836 -6.218 869 1HD LYS 615 1HD LYS 615 10.835 -9.737 -3.863 870 2HD LYS 615 2HD LYS 615 11.168 -11.466 -3.704 871 1HE LYS 615 1HE LYS 615 13.153 -9.314 -4.417 872 2HE LYS 615 2HE LYS 615 13.032 -10.166 -2.880 873 1HZ LYS 615 1HZ LYS 615 13.552 -12.248 -4.097 874 2HZ LYS 615 2HZ LYS 615 14.780 -11.136 -4.128 875 3HZ LYS 615 3HZ LYS 615 13.823 -11.355 -5.506 876 H GLN 616 H GLN 616 7.997 -10.841 -9.362 877 HA GLN 616 HA GLN 616 9.570 -8.525 -10.234 878 1HB GLN 616 1HB GLN 616 7.911 -10.545 -11.638 879 2HB GLN 616 2HB GLN 616 7.861 -8.910 -12.274 880 1HG GLN 616 1HG GLN 616 10.253 -8.924 -12.596 881 2HG GLN 616 2HG GLN 616 10.367 -10.521 -11.853 882 1HE2 GLN 616 1HE2 GLN 616 9.910 -12.223 -12.991 883 2HE2 GLN 616 2HE2 GLN 616 9.439 -12.305 -14.649 884 HA PRO 617 HA PRO 617 6.161 -5.779 -9.307 885 1HB PRO 617 1HB PRO 617 6.086 -4.628 -11.985 886 2HB PRO 617 2HB PRO 617 6.544 -3.862 -10.470 887 1HG PRO 617 1HG PRO 617 8.334 -4.446 -12.434 888 2HG PRO 617 2HG PRO 617 8.755 -4.345 -10.723 889 1HD PRO 617 1HD PRO 617 8.364 -6.735 -12.443 890 2HD PRO 617 2HD PRO 617 9.452 -6.499 -11.061 891 H LEU 618 H LEU 618 4.001 -5.095 -10.152 892 HA LEU 618 HA LEU 618 2.610 -7.406 -11.044 893 1HB LEU 618 1HB LEU 618 1.710 -4.613 -10.447 894 2HB LEU 618 2HB LEU 618 0.592 -5.842 -11.008 895 HG LEU 618 HG LEU 618 0.315 -5.735 -8.674 896 1HD1 LEU 618 1HD1 LEU 618 0.954 -7.918 -7.879 897 2HD1 LEU 618 2HD1 LEU 618 2.123 -8.057 -9.193 898 3HD1 LEU 618 3HD1 LEU 618 0.404 -7.977 -9.560 899 1HD2 LEU 618 1HD2 LEU 618 2.129 -5.939 -7.032 900 2HD2 LEU 618 2HD2 LEU 618 2.311 -4.507 -8.036 901 3HD2 LEU 618 3HD2 LEU 618 3.310 -5.931 -8.342 902 H THR 619 H THR 619 2.774 -8.079 -12.963 903 HA THR 619 HA THR 619 3.000 -6.213 -15.153 904 HB THR 619 HB THR 619 3.770 -8.564 -16.172 905 HG1 THR 619 HG1 THR 619 4.730 -8.747 -13.529 906 1HG2 THR 619 1HG2 THR 619 6.071 -7.902 -15.595 907 2HG2 THR 619 2HG2 THR 619 5.447 -6.799 -14.368 908 3HG2 THR 619 3HG2 THR 619 5.116 -6.502 -16.075 909 H SER 620 H SER 620 0.492 -7.785 -13.783 910 HA SER 620 HA SER 620 -0.512 -9.122 -16.090 911 1HB SER 620 1HB SER 620 -2.558 -9.172 -14.447 912 2HB SER 620 2HB SER 620 -1.166 -10.231 -14.221 913 HG SER 620 HG SER 620 -1.076 -9.404 -12.377 914 H LYS 621 H LYS 621 -1.194 -7.939 -17.693 915 HA LYS 621 HA LYS 621 -3.154 -5.853 -17.133 916 1HB LYS 621 1HB LYS 621 -0.928 -4.834 -17.575 917 2HB LYS 621 2HB LYS 621 -0.895 -5.624 -19.140 918 1HG LYS 621 1HG LYS 621 -2.930 -4.367 -19.772 919 2HG LYS 621 2HG LYS 621 -2.850 -3.527 -18.229 920 1HD LYS 621 1HD LYS 621 -0.637 -3.477 -20.291 921 2HD LYS 621 2HD LYS 621 -1.915 -2.281 -20.204 922 1HE LYS 621 1HE LYS 621 0.025 -1.367 -19.153 923 2HE LYS 621 2HE LYS 621 -1.154 -1.702 -17.898 924 1HZ LYS 621 1HZ LYS 621 0.170 -3.597 -17.183 925 2HZ LYS 621 2HZ LYS 621 1.179 -2.285 -17.334 926 3HZ LYS 621 3HZ LYS 621 1.189 -3.455 -18.518 927 H GLU 622 H GLU 622 -1.544 -7.473 -19.861 928 HA GLU 622 HA GLU 622 -4.203 -8.029 -21.002 929 1HB GLU 622 1HB GLU 622 -1.560 -7.509 -22.335 930 2HB GLU 622 2HB GLU 622 -2.938 -8.198 -23.180 931 1HG GLU 622 1HG GLU 622 -3.003 -5.562 -21.749 932 2HG GLU 622 2HG GLU 622 -2.649 -5.747 -23.465 933 H GLU 623 H GLU 623 -1.050 -9.377 -20.310 934 HA GLU 623 HA GLU 623 -1.479 -11.862 -21.546 935 1HB GLU 623 1HB GLU 623 0.753 -11.086 -20.986 936 2HB GLU 623 2HB GLU 623 0.366 -11.082 -19.271 937 1HG GLU 623 1HG GLU 623 1.738 -13.001 -19.909 938 2HG GLU 623 2HG GLU 623 0.148 -13.478 -19.310 939 H GLU 624 H GLU 624 -2.622 -13.561 -20.938 940 HA GLU 624 HA GLU 624 -4.012 -13.364 -18.397 941 1HB GLU 624 1HB GLU 624 -5.380 -13.746 -20.454 942 2HB GLU 624 2HB GLU 624 -4.573 -15.295 -20.667 943 1HG GLU 624 1HG GLU 624 -5.487 -16.105 -18.581 944 2HG GLU 624 2HG GLU 624 -6.198 -14.533 -18.245 945 H GLU 625 H GLU 625 -1.554 -15.152 -20.020 946 HA GLU 625 HA GLU 625 -1.396 -17.523 -18.555 947 1HB GLU 625 1HB GLU 625 -0.044 -16.833 -20.532 948 2HB GLU 625 2HB GLU 625 0.848 -15.745 -19.494 949 1HG GLU 625 1HG GLU 625 1.489 -17.742 -18.149 950 2HG GLU 625 2HG GLU 625 0.831 -18.731 -19.457 951 H ARG 626 H ARG 626 -0.044 -14.326 -17.931 952 HA ARG 626 HA ARG 626 1.196 -14.753 -15.479 953 1HB ARG 626 1HB ARG 626 1.660 -12.721 -16.655 954 2HB ARG 626 2HB ARG 626 -0.040 -12.318 -16.767 955 1HG ARG 626 1HG ARG 626 1.001 -10.866 -15.163 956 2HG ARG 626 2HG ARG 626 -0.097 -11.965 -14.338 957 1HD ARG 626 1HD ARG 626 1.957 -13.391 -13.842 958 2HD ARG 626 2HD ARG 626 2.907 -11.990 -14.355 959 HE ARG 626 HE ARG 626 0.863 -11.359 -12.443 960 1HH1 ARG 626 1HH1 ARG 626 4.265 -12.291 -12.750 961 2HH1 ARG 626 2HH1 ARG 626 4.603 -11.877 -11.106 962 1HH2 ARG 626 1HH2 ARG 626 1.376 -10.849 -10.293 963 2HH2 ARG 626 2HH2 ARG 626 2.983 -11.077 -9.705 964 H ARG 627 H ARG 627 -2.068 -13.744 -16.295 965 HA ARG 627 HA ARG 627 -2.945 -13.285 -13.659 966 1HB ARG 627 1HB ARG 627 -4.427 -13.659 -16.241 967 2HB ARG 627 2HB ARG 627 -5.250 -13.350 -14.716 968 1HG ARG 627 1HG ARG 627 -4.049 -11.247 -14.468 969 2HG ARG 627 2HG ARG 627 -3.177 -11.563 -15.967 970 1HD ARG 627 1HD ARG 627 -6.127 -11.586 -15.938 971 2HD ARG 627 2HD ARG 627 -5.296 -10.018 -15.973 972 HE ARG 627 HE ARG 627 -4.168 -11.289 -18.017 973 1HH1 ARG 627 1HH1 ARG 627 -7.577 -11.148 -17.073 974 2HH1 ARG 627 2HH1 ARG 627 -8.197 -11.153 -18.648 975 1HH2 ARG 627 1HH2 ARG 627 -5.052 -11.190 -20.320 976 2HH2 ARG 627 2HH2 ARG 627 -6.725 -11.198 -20.505 977 H ILE 628 H ILE 628 -3.086 -16.141 -15.678 978 HA ILE 628 HA ILE 628 -4.672 -17.708 -13.883 979 HB ILE 628 HB ILE 628 -2.675 -18.500 -16.021 980 1HG1 ILE 628 1HG1 ILE 628 -5.683 -18.447 -16.120 981 2HG1 ILE 628 2HG1 ILE 628 -4.673 -17.148 -16.739 982 1HG2 ILE 628 1HG2 ILE 628 -4.779 -20.186 -14.651 983 2HG2 ILE 628 2HG2 ILE 628 -3.037 -20.277 -14.377 984 3HG2 ILE 628 3HG2 ILE 628 -3.701 -20.713 -15.954 985 1HD1 ILE 628 1HD1 ILE 628 -3.677 -18.707 -18.319 986 2HD1 ILE 628 2HD1 ILE 628 -5.431 -18.622 -18.509 987 3HD1 ILE 628 3HD1 ILE 628 -4.693 -20.005 -17.693 988 H ALA 629 H ALA 629 -1.240 -17.165 -14.246 989 HA ALA 629 HA ALA 629 -0.518 -18.993 -12.212 990 1HB ALA 629 1HB ALA 629 1.656 -17.897 -12.240 991 2HB ALA 629 2HB ALA 629 0.975 -16.566 -13.183 992 3HB ALA 629 3HB ALA 629 1.060 -18.187 -13.876 993 H GLU 630 H GLU 630 -1.903 -15.882 -12.163 994 HA GLU 630 HA GLU 630 -1.080 -15.202 -9.499 995 1HB GLU 630 1HB GLU 630 -3.097 -13.912 -11.329 996 2HB GLU 630 2HB GLU 630 -2.596 -13.268 -9.768 997 1HG GLU 630 1HG GLU 630 -0.328 -13.039 -10.560 998 2HG GLU 630 2HG GLU 630 -0.775 -13.762 -12.101 999 H MET 631 H MET 631 -3.073 -17.519 -10.504 1000 HA MET 631 HA MET 631 -4.981 -17.187 -8.360 1001 1HB MET 631 1HB MET 631 -5.711 -19.481 -8.797 1002 2HB MET 631 2HB MET 631 -5.548 -18.646 -10.330 1003 1HG MET 631 1HG MET 631 -3.518 -19.776 -10.812 1004 2HG MET 631 2HG MET 631 -3.447 -20.486 -9.211 1005 1HE MET 631 1HE MET 631 -6.560 -21.581 -12.449 1006 2HE MET 631 2HE MET 631 -5.308 -20.347 -12.636 1007 3HE MET 631 3HE MET 631 -6.646 -20.086 -11.520 1008 H GLY 632 H GLY 632 -1.807 -18.247 -8.852 1009 1HA GLY 632 1HA GLY 632 -1.644 -19.510 -6.205 1010 2HA GLY 632 2HA GLY 632 -0.430 -19.632 -7.478 1011 H ARG 633 H ARG 633 -0.189 -16.981 -8.204 1012 HA ARG 633 HA ARG 633 1.287 -15.974 -5.942 1013 1HB ARG 633 1HB ARG 633 1.088 -14.951 -8.784 1014 2HB ARG 633 2HB ARG 633 2.119 -14.256 -7.542 1015 1HG ARG 633 1HG ARG 633 3.332 -16.370 -7.368 1016 2HG ARG 633 2HG ARG 633 2.298 -17.059 -8.618 1017 1HD ARG 633 1HD ARG 633 4.372 -16.391 -9.610 1018 2HD ARG 633 2HD ARG 633 3.091 -15.313 -10.166 1019 HE ARG 633 HE ARG 633 3.984 -13.725 -8.402 1020 1HH1 ARG 633 1HH1 ARG 633 6.170 -16.026 -10.120 1021 2HH1 ARG 633 2HH1 ARG 633 7.517 -15.038 -9.806 1022 1HH2 ARG 633 1HH2 ARG 633 5.950 -12.487 -8.068 1023 2HH2 ARG 633 2HH2 ARG 633 7.408 -13.118 -8.677 1024 HA PRO 634 HA PRO 634 -2.177 -13.297 -4.931 1025 1HB PRO 634 1HB PRO 634 -0.973 -12.010 -2.887 1026 2HB PRO 634 2HB PRO 634 -1.685 -13.607 -2.717 1027 1HG PRO 634 1HG PRO 634 1.198 -12.879 -3.006 1028 2HG PRO 634 2HG PRO 634 0.451 -14.166 -2.053 1029 1HD PRO 634 1HD PRO 634 1.686 -14.536 -4.461 1030 2HD PRO 634 2HD PRO 634 0.428 -15.607 -3.818 1031 H ILE 635 H ILE 635 -2.679 -11.054 -5.299 1032 HA ILE 635 HA ILE 635 -0.449 -9.569 -6.334 1033 HB ILE 635 HB ILE 635 -1.899 -8.907 -8.340 1034 1HG1 ILE 635 1HG1 ILE 635 -3.293 -10.847 -9.223 1035 2HG1 ILE 635 2HG1 ILE 635 -3.216 -11.545 -7.616 1036 1HG2 ILE 635 1HG2 ILE 635 0.183 -10.070 -8.526 1037 2HG2 ILE 635 2HG2 ILE 635 -0.981 -10.752 -9.663 1038 3HG2 ILE 635 3HG2 ILE 635 -0.605 -11.603 -8.166 1039 1HD1 ILE 635 1HD1 ILE 635 -4.489 -8.923 -8.363 1040 2HD1 ILE 635 2HD1 ILE 635 -4.424 -9.608 -6.739 1041 3HD1 ILE 635 3HD1 ILE 635 -5.330 -10.433 -8.009 1042 H LEU 636 H LEU 636 -1.596 -7.448 -7.436 1043 HA LEU 636 HA LEU 636 -2.279 -5.987 -5.079 1044 1HB LEU 636 1HB LEU 636 -1.883 -4.025 -6.336 1045 2HB LEU 636 2HB LEU 636 -0.652 -5.167 -6.799 1046 HG LEU 636 HG LEU 636 -1.106 -4.165 -8.787 1047 1HD1 LEU 636 1HD1 LEU 636 -2.425 -5.493 -10.286 1048 2HD1 LEU 636 2HD1 LEU 636 -3.136 -6.330 -8.909 1049 3HD1 LEU 636 3HD1 LEU 636 -1.418 -6.500 -9.238 1050 1HD2 LEU 636 1HD2 LEU 636 -3.280 -3.370 -9.579 1051 2HD2 LEU 636 2HD2 LEU 636 -2.802 -2.650 -8.042 1052 3HD2 LEU 636 3HD2 LEU 636 -4.015 -3.933 -8.077 1053 H GLY 637 H GLY 637 -4.080 -4.608 -4.907 1054 1HA GLY 637 1HA GLY 637 -6.482 -5.811 -6.089 1055 2HA GLY 637 2HA GLY 637 -6.454 -4.773 -4.684 1056 H GLU 638 H GLU 638 -6.920 -2.723 -4.945 1057 HA GLU 638 HA GLU 638 -7.715 -1.891 -7.585 1058 1HB GLU 638 1HB GLU 638 -9.263 -1.641 -5.764 1059 2HB GLU 638 2HB GLU 638 -8.093 -0.739 -4.836 1060 1HG GLU 638 1HG GLU 638 -9.720 0.792 -5.722 1061 2HG GLU 638 2HG GLU 638 -8.161 1.079 -6.482 1062 H HIS 639 H HIS 639 -5.999 -0.379 -4.906 1063 HA HIS 639 HA HIS 639 -4.295 0.890 -6.844 1064 1HB HIS 639 1HB HIS 639 -4.515 3.079 -5.485 1065 2HB HIS 639 2HB HIS 639 -5.782 2.672 -6.621 1066 HD1 HIS 639 HD1 HIS 639 -7.249 4.385 -5.198 1067 HD2 HIS 639 HD2 HIS 639 -6.174 0.914 -3.202 1068 HE1 HIS 639 HE1 HIS 639 -8.766 4.234 -3.175 1069 H THR 640 H THR 640 -2.338 0.463 -6.420 1070 HA THR 640 HA THR 640 -1.627 0.186 -3.636 1071 HB THR 640 HB THR 640 0.464 -0.906 -4.612 1072 HG1 THR 640 HG1 THR 640 -0.131 0.068 -6.780 1073 1HG2 THR 640 1HG2 THR 640 -0.669 -3.018 -5.030 1074 2HG2 THR 640 2HG2 THR 640 -2.197 -2.157 -5.281 1075 3HG2 THR 640 3HG2 THR 640 -1.443 -2.164 -3.691 1076 H LYS 641 H LYS 641 -1.476 2.238 -3.112 1077 HA LYS 641 HA LYS 641 0.794 3.766 -3.701 1078 1HB LYS 641 1HB LYS 641 -0.280 4.310 -5.785 1079 2HB LYS 641 2HB LYS 641 -1.839 4.484 -5.003 1080 1HG LYS 641 1HG LYS 641 -1.080 6.672 -5.524 1081 2HG LYS 641 2HG LYS 641 -0.913 6.466 -3.786 1082 1HD LYS 641 1HD LYS 641 1.475 6.027 -4.091 1083 2HD LYS 641 2HD LYS 641 1.299 6.310 -5.830 1084 1HE LYS 641 1HE LYS 641 0.783 8.269 -3.603 1085 2HE LYS 641 2HE LYS 641 2.100 8.313 -4.765 1086 1HZ LYS 641 1HZ LYS 641 0.273 9.878 -5.254 1087 2HZ LYS 641 2HZ LYS 641 -0.780 8.609 -5.511 1088 3HZ LYS 641 3HZ LYS 641 0.558 8.823 -6.524 1089 H LEU 642 H LEU 642 0.982 4.983 -1.949 1090 HA LEU 642 HA LEU 642 -1.418 5.968 -0.611 1091 1HB LEU 642 1HB LEU 642 -0.643 4.088 0.702 1092 2HB LEU 642 2HB LEU 642 0.993 4.723 0.646 1093 HG LEU 642 HG LEU 642 0.172 6.723 1.878 1094 1HD1 LEU 642 1HD1 LEU 642 -1.908 6.500 3.177 1095 2HD1 LEU 642 2HD1 LEU 642 -2.292 5.046 2.263 1096 3HD1 LEU 642 3HD1 LEU 642 -2.184 6.596 1.443 1097 1HD2 LEU 642 1HD2 LEU 642 1.400 4.827 2.883 1098 2HD2 LEU 642 2HD2 LEU 642 -0.167 4.154 3.395 1099 3HD2 LEU 642 3HD2 LEU 642 0.365 5.756 3.944 1100 H GLU 643 H GLU 643 -1.229 8.023 -0.978 1101 HA GLU 643 HA GLU 643 1.393 9.257 -1.058 1102 1HB GLU 643 1HB GLU 643 -0.509 9.618 -2.757 1103 2HB GLU 643 2HB GLU 643 -1.284 10.514 -1.466 1104 1HG GLU 643 1HG GLU 643 0.317 12.193 -1.497 1105 2HG GLU 643 2HG GLU 643 1.451 11.213 -2.424 1106 H VAL 644 H VAL 644 2.141 9.707 0.913 1107 HA VAL 644 HA VAL 644 0.282 10.364 3.054 1108 HB VAL 644 HB VAL 644 3.259 9.980 3.162 1109 1HG1 VAL 644 1HG1 VAL 644 1.188 9.775 5.339 1110 2HG1 VAL 644 2HG1 VAL 644 2.243 11.148 5.040 1111 3HG1 VAL 644 3HG1 VAL 644 2.938 9.609 5.529 1112 1HG2 VAL 644 1HG2 VAL 644 1.140 7.888 3.620 1113 2HG2 VAL 644 2HG2 VAL 644 2.886 7.669 3.810 1114 3HG2 VAL 644 3HG2 VAL 644 2.201 7.988 2.221 1115 H ILE 645 H ILE 645 -0.189 12.500 2.963 1116 HA ILE 645 HA ILE 645 2.008 14.315 2.461 1117 HB ILE 645 HB ILE 645 -0.952 14.916 2.866 1118 1HG1 ILE 645 1HG1 ILE 645 -0.698 15.815 0.429 1119 2HG1 ILE 645 2HG1 ILE 645 0.790 14.902 0.394 1120 1HG2 ILE 645 1HG2 ILE 645 -0.420 17.249 2.267 1121 2HG2 ILE 645 2HG2 ILE 645 1.296 16.843 2.299 1122 3HG2 ILE 645 3HG2 ILE 645 0.334 16.735 3.773 1123 1HD1 ILE 645 1HD1 ILE 645 -1.061 13.663 -0.650 1124 2HD1 ILE 645 2HD1 ILE 645 -1.951 13.744 0.851 1125 3HD1 ILE 645 3HD1 ILE 645 -0.454 12.829 0.776 1126 H ILE 646 H ILE 646 3.113 15.110 4.036 1127 HA ILE 646 HA ILE 646 2.162 14.655 6.754 1128 HB ILE 646 HB ILE 646 4.970 15.519 5.933 1129 1HG1 ILE 646 1HG1 ILE 646 5.560 13.017 6.457 1130 2HG1 ILE 646 2HG1 ILE 646 3.853 12.744 6.198 1131 1HG2 ILE 646 1HG2 ILE 646 3.939 14.221 8.443 1132 2HG2 ILE 646 2HG2 ILE 646 4.418 15.917 8.275 1133 3HG2 ILE 646 3HG2 ILE 646 5.616 14.627 8.115 1134 1HD1 ILE 646 1HD1 ILE 646 4.013 13.549 3.948 1135 2HD1 ILE 646 2HD1 ILE 646 5.183 12.260 4.229 1136 3HD1 ILE 646 3HD1 ILE 646 5.716 13.941 4.178 1137 H GLU 647 H GLU 647 1.172 16.289 7.534 1138 HA GLU 647 HA GLU 647 1.721 18.832 6.327 1139 1HB GLU 647 1HB GLU 647 -0.475 19.546 7.202 1140 2HB GLU 647 2HB GLU 647 -0.569 18.149 6.160 1141 1HG GLU 647 1HG GLU 647 -2.062 17.641 7.829 1142 2HG GLU 647 2HG GLU 647 -0.610 16.795 8.346 1143 H GLU 648 H GLU 648 1.988 20.663 7.494 1144 HA GLU 648 HA GLU 648 3.777 20.390 9.662 1145 1HB GLU 648 1HB GLU 648 2.591 22.840 8.348 1146 2HB GLU 648 2HB GLU 648 3.911 22.856 9.506 1147 1HG GLU 648 1HG GLU 648 3.997 21.485 6.817 1148 2HG GLU 648 2HG GLU 648 4.673 23.076 7.166 1149 H SER 649 H SER 649 2.081 19.304 10.875 1150 HA SER 649 HA SER 649 0.397 19.095 12.363 1151 1HB SER 649 1HB SER 649 2.313 20.928 13.763 1152 2HB SER 649 2HB SER 649 1.255 19.725 14.514 1153 HG SER 649 HG SER 649 3.165 18.725 14.291 1154 H TYR 650 H TYR 650 -1.269 20.190 11.179 1155 HA TYR 650 HA TYR 650 -2.274 22.483 12.681 1156 1HB TYR 650 1HB TYR 650 -1.593 23.436 10.586 1157 2HB TYR 650 2HB TYR 650 -2.270 22.082 9.693 1158 HD1 TYR 650 HD1 TYR 650 -3.269 24.995 11.795 1159 HD2 TYR 650 HD2 TYR 650 -4.399 22.154 8.855 1160 HE1 TYR 650 HE1 TYR 650 -5.426 26.157 11.495 1161 HE2 TYR 650 HE2 TYR 650 -6.528 23.278 8.547 1162 HH TYR 650 HH TYR 650 -7.960 24.666 10.042 1163 H GLU 651 H GLU 651 -3.408 20.028 10.299 1164 HA GLU 651 HA GLU 651 -5.534 19.171 12.033 1165 1HB GLU 651 1HB GLU 651 -6.147 21.005 9.761 1166 2HB GLU 651 2HB GLU 651 -7.266 19.711 10.111 1167 1HG GLU 651 1HG GLU 651 -7.460 20.627 12.426 1168 2HG GLU 651 2HG GLU 651 -6.470 21.993 11.895 1169 H PHE 652 H PHE 652 -7.206 18.002 10.458 1170 HA PHE 652 HA PHE 652 -5.705 16.351 8.555 1171 1HB PHE 652 1HB PHE 652 -5.749 15.128 10.605 1172 2HB PHE 652 2HB PHE 652 -7.497 15.377 10.756 1173 HD1 PHE 652 HD1 PHE 652 -4.975 13.917 8.458 1174 HD2 PHE 652 HD2 PHE 652 -8.905 13.686 10.032 1175 HE1 PHE 652 HE1 PHE 652 -5.325 11.836 7.239 1176 HE2 PHE 652 HE2 PHE 652 -9.281 11.588 8.822 1177 HZ PHE 652 HZ PHE 652 -7.488 10.645 7.413 1178 H LYS 653 H LYS 653 -6.584 17.041 6.861 1179 HA LYS 653 HA LYS 653 -9.395 16.404 6.328 1180 1HB LYS 653 1HB LYS 653 -8.063 18.973 5.437 1181 2HB LYS 653 2HB LYS 653 -9.604 18.384 4.861 1182 1HG LYS 653 1HG LYS 653 -10.421 18.590 7.253 1183 2HG LYS 653 2HG LYS 653 -8.926 19.487 7.572 1184 1HD LYS 653 1HD LYS 653 -9.471 21.001 5.701 1185 2HD LYS 653 2HD LYS 653 -10.976 20.122 5.474 1186 1HE LYS 653 1HE LYS 653 -11.476 22.126 6.674 1187 2HE LYS 653 2HE LYS 653 -11.624 20.775 7.793 1188 1HZ LYS 653 1HZ LYS 653 -9.545 21.399 8.832 1189 2HZ LYS 653 2HZ LYS 653 -10.463 22.781 8.658 1190 3HZ LYS 653 3HZ LYS 653 -9.218 22.488 7.585 1191 H SER 654 H SER 654 -9.205 14.844 4.800 1192 HA SER 654 HA SER 654 -7.057 15.152 2.859 1193 1HB SER 654 1HB SER 654 -8.588 12.690 3.695 1194 2HB SER 654 2HB SER 654 -7.305 12.733 2.485 1195 HG SER 654 HG SER 654 -6.804 12.172 4.777 1196 H THR 655 H THR 655 -7.743 16.102 1.059 1197 HA THR 655 HA THR 655 -10.436 15.748 0.123 1198 HB THR 655 HB THR 655 -8.110 17.113 -1.262 1199 HG1 THR 655 HG1 THR 655 -8.290 18.330 0.447 1200 1HG2 THR 655 1HG2 THR 655 -10.041 16.598 -2.684 1201 2HG2 THR 655 2HG2 THR 655 -9.873 18.335 -2.439 1202 3HG2 THR 655 3HG2 THR 655 -11.101 17.433 -1.550 1203 H VAL 656 H VAL 656 -10.802 13.742 -0.657 1204 HA VAL 656 HA VAL 656 -9.060 12.729 -2.757 1205 HB VAL 656 HB VAL 656 -9.506 10.400 -1.920 1206 1HG1 VAL 656 1HG1 VAL 656 -7.369 11.455 -1.434 1207 2HG1 VAL 656 2HG1 VAL 656 -7.877 10.436 -0.085 1208 3HG1 VAL 656 3HG1 VAL 656 -8.046 12.188 0.020 1209 1HG2 VAL 656 1HG2 VAL 656 -11.487 10.872 -0.577 1210 2HG2 VAL 656 2HG2 VAL 656 -10.507 11.807 0.555 1211 3HG2 VAL 656 3HG2 VAL 656 -10.249 10.070 0.389 1212 H ASP 657 H ASP 657 -10.484 10.588 -3.580 1213 HA ASP 657 HA ASP 657 -12.923 11.848 -4.554 1214 1HB ASP 657 1HB ASP 657 -11.495 9.329 -5.452 1215 2HB ASP 657 2HB ASP 657 -13.032 9.862 -6.109 Start of MODEL 7 1 1H HIS 501 1H HIS 501 -8.401 -18.979 -5.449 2 HA HIS 501 HA HIS 501 -6.855 -17.244 -7.089 3 1HB HIS 501 1HB HIS 501 -9.171 -16.407 -7.507 4 2HB HIS 501 2HB HIS 501 -9.395 -16.212 -5.778 5 HD1 HIS 501 HD1 HIS 501 -9.755 -13.642 -5.944 6 HD2 HIS 501 HD2 HIS 501 -6.138 -14.934 -7.512 7 HE1 HIS 501 HE1 HIS 501 -8.388 -11.580 -6.345 8 H ALA 502 H ALA 502 -5.403 -16.093 -5.817 9 HA ALA 502 HA ALA 502 -5.159 -17.039 -3.105 10 1HB ALA 502 1HB ALA 502 -3.169 -16.848 -4.529 11 2HB ALA 502 2HB ALA 502 -3.036 -15.845 -3.084 12 3HB ALA 502 3HB ALA 502 -3.423 -15.108 -4.635 13 H GLY 503 H GLY 503 -5.341 -13.784 -4.653 14 1HA GLY 503 1HA GLY 503 -7.445 -12.864 -3.681 15 2HA GLY 503 2HA GLY 503 -6.596 -12.965 -2.152 16 H ILE 504 H ILE 504 -7.048 -10.784 -1.955 17 HA ILE 504 HA ILE 504 -5.884 -8.842 -3.836 18 HB ILE 504 HB ILE 504 -8.281 -8.722 -2.009 19 1HG1 ILE 504 1HG1 ILE 504 -9.479 -8.071 -4.220 20 2HG1 ILE 504 2HG1 ILE 504 -8.065 -8.735 -5.019 21 1HG2 ILE 504 1HG2 ILE 504 -7.319 -6.595 -1.813 22 2HG2 ILE 504 2HG2 ILE 504 -8.736 -6.443 -2.861 23 3HG2 ILE 504 3HG2 ILE 504 -7.110 -6.459 -3.553 24 1HD1 ILE 504 1HD1 ILE 504 -9.924 -10.221 -3.166 25 2HD1 ILE 504 2HD1 ILE 504 -8.505 -10.902 -3.961 26 3HD1 ILE 504 3HD1 ILE 504 -9.877 -10.353 -4.924 27 H PHE 505 H PHE 505 -4.379 -7.440 -2.997 28 HA PHE 505 HA PHE 505 -4.515 -6.762 -0.151 29 1HB PHE 505 1HB PHE 505 -2.011 -7.291 -1.779 30 2HB PHE 505 2HB PHE 505 -1.993 -6.469 -0.222 31 HD1 PHE 505 HD1 PHE 505 -2.286 -9.656 -1.928 32 HD2 PHE 505 HD2 PHE 505 -2.619 -7.669 1.816 33 HE1 PHE 505 HE1 PHE 505 -2.225 -11.824 -0.772 34 HE2 PHE 505 HE2 PHE 505 -2.550 -9.831 2.974 35 HZ PHE 505 HZ PHE 505 -2.353 -11.909 1.681 36 H THR 506 H THR 506 -4.764 -4.608 0.157 37 HA THR 506 HA THR 506 -3.803 -2.751 -1.839 38 HB THR 506 HB THR 506 -6.046 -3.485 -2.661 39 HG1 THR 506 HG1 THR 506 -6.504 -0.856 -1.836 40 1HG2 THR 506 1HG2 THR 506 -7.092 -2.246 -0.107 41 2HG2 THR 506 2HG2 THR 506 -7.131 -3.960 -0.511 42 3HG2 THR 506 3HG2 THR 506 -8.093 -2.811 -1.440 43 H PHE 507 H PHE 507 -4.089 -0.469 -1.001 44 HA PHE 507 HA PHE 507 -3.941 -0.319 1.913 45 1HB PHE 507 1HB PHE 507 -3.674 1.765 -0.262 46 2HB PHE 507 2HB PHE 507 -3.716 2.172 1.441 47 HD1 PHE 507 HD1 PHE 507 -1.887 1.366 2.920 48 HD2 PHE 507 HD2 PHE 507 -1.741 1.038 -1.296 49 HE1 PHE 507 HE1 PHE 507 0.551 1.142 3.038 50 HE2 PHE 507 HE2 PHE 507 0.714 0.789 -1.203 51 HZ PHE 507 HZ PHE 507 1.857 0.844 0.975 52 H GLU 508 H GLU 508 -5.308 1.096 3.101 53 HA GLU 508 HA GLU 508 -8.009 0.998 2.178 54 1HB GLU 508 1HB GLU 508 -7.062 0.652 4.566 55 2HB GLU 508 2HB GLU 508 -7.033 2.411 4.662 56 1HG GLU 508 1HG GLU 508 -9.447 0.771 4.039 57 2HG GLU 508 2HG GLU 508 -9.000 1.218 5.680 58 H GLU 509 H GLU 509 -5.583 3.519 2.815 59 HA GLU 509 HA GLU 509 -7.167 5.257 1.105 60 1HB GLU 509 1HB GLU 509 -6.412 7.194 2.425 61 2HB GLU 509 2HB GLU 509 -7.347 6.077 3.396 62 1HG GLU 509 1HG GLU 509 -5.082 5.181 4.193 63 2HG GLU 509 2HG GLU 509 -4.413 6.637 3.451 64 HA PRO 510 HA PRO 510 -3.252 5.356 -1.008 65 1HB PRO 510 1HB PRO 510 -3.950 6.795 -3.141 66 2HB PRO 510 2HB PRO 510 -4.558 5.156 -2.892 67 1HG PRO 510 1HG PRO 510 -5.943 7.753 -2.557 68 2HG PRO 510 2HG PRO 510 -6.593 6.172 -3.021 69 1HD PRO 510 1HD PRO 510 -6.702 7.363 -0.444 70 2HD PRO 510 2HD PRO 510 -7.145 5.699 -0.881 71 H VAL 511 H VAL 511 -4.713 7.999 0.429 72 HA VAL 511 HA VAL 511 -2.282 9.600 0.340 73 HB VAL 511 HB VAL 511 -5.061 10.729 -0.298 74 1HG1 VAL 511 1HG1 VAL 511 -3.984 12.915 -0.398 75 2HG1 VAL 511 2HG1 VAL 511 -2.486 12.168 0.182 76 3HG1 VAL 511 3HG1 VAL 511 -3.911 12.198 1.215 77 1HG2 VAL 511 1HG2 VAL 511 -2.540 10.872 -1.909 78 2HG2 VAL 511 2HG2 VAL 511 -4.132 11.478 -2.383 79 3HG2 VAL 511 3HG2 VAL 511 -3.852 9.733 -2.222 80 H THR 512 H THR 512 -1.866 10.340 2.292 81 HA THR 512 HA THR 512 -4.045 10.584 4.163 82 HB THR 512 HB THR 512 -2.928 8.235 4.350 83 HG1 THR 512 HG1 THR 512 -4.135 9.067 5.957 84 1HG2 THR 512 1HG2 THR 512 -0.812 8.122 5.602 85 2HG2 THR 512 2HG2 THR 512 -0.697 9.883 5.540 86 3HG2 THR 512 3HG2 THR 512 -0.631 8.941 4.043 87 H HIS 513 H HIS 513 -3.601 12.214 5.680 88 HA HIS 513 HA HIS 513 -1.096 13.699 5.208 89 1HB HIS 513 1HB HIS 513 -3.761 14.928 6.069 90 2HB HIS 513 2HB HIS 513 -2.238 15.764 5.954 91 HD1 HIS 513 HD1 HIS 513 -2.016 17.129 3.886 92 HD2 HIS 513 HD2 HIS 513 -4.487 13.821 3.344 93 HE1 HIS 513 HE1 HIS 513 -2.873 17.267 1.527 94 H VAL 514 H VAL 514 0.114 14.039 6.911 95 HA VAL 514 HA VAL 514 -0.970 12.931 9.400 96 HB VAL 514 HB VAL 514 1.268 12.136 9.980 97 1HG1 VAL 514 1HG1 VAL 514 1.423 10.300 8.360 98 2HG1 VAL 514 2HG1 VAL 514 0.351 11.183 7.274 99 3HG1 VAL 514 3HG1 VAL 514 -0.249 10.618 8.830 100 1HG2 VAL 514 1HG2 VAL 514 2.078 13.071 7.217 101 2HG2 VAL 514 2HG2 VAL 514 3.082 12.117 8.307 102 3HG2 VAL 514 3HG2 VAL 514 2.613 13.763 8.748 103 H SER 515 H SER 515 0.137 13.654 11.335 104 HA SER 515 HA SER 515 0.463 16.515 11.186 105 1HB SER 515 1HB SER 515 -0.913 15.477 12.991 106 2HB SER 515 2HB SER 515 0.525 14.649 13.565 107 HG SER 515 HG SER 515 -0.032 16.671 14.615 108 H GLU 516 H GLU 516 2.372 17.487 11.640 109 HA GLU 516 HA GLU 516 4.705 15.900 11.281 110 1HB GLU 516 1HB GLU 516 4.296 18.209 10.410 111 2HB GLU 516 2HB GLU 516 4.492 18.784 12.059 112 1HG GLU 516 1HG GLU 516 6.742 17.897 12.108 113 2HG GLU 516 2HG GLU 516 6.540 17.302 10.461 114 H SER 517 H SER 517 2.793 16.659 13.926 115 HA SER 517 HA SER 517 4.985 16.572 15.844 116 1HB SER 517 1HB SER 517 2.026 17.083 16.247 117 2HB SER 517 2HB SER 517 3.285 17.229 17.480 118 HG SER 517 HG SER 517 3.932 19.046 16.651 119 H ILE 518 H ILE 518 3.770 14.357 14.132 120 HA ILE 518 HA ILE 518 2.877 12.515 16.209 121 HB ILE 518 HB ILE 518 1.761 12.817 13.870 122 1HG1 ILE 518 1HG1 ILE 518 2.477 10.031 14.758 123 2HG1 ILE 518 2HG1 ILE 518 1.252 11.035 15.537 124 1HG2 ILE 518 1HG2 ILE 518 4.060 11.000 13.124 125 2HG2 ILE 518 2HG2 ILE 518 3.787 12.636 12.523 126 3HG2 ILE 518 3HG2 ILE 518 2.653 11.347 12.113 127 1HD1 ILE 518 1HD1 ILE 518 0.097 11.193 13.424 128 2HD1 ILE 518 2HD1 ILE 518 0.206 9.525 14.040 129 3HD1 ILE 518 3HD1 ILE 518 1.263 10.074 12.716 130 H GLY 519 H GLY 519 3.951 10.409 16.347 131 1HA GLY 519 1HA GLY 519 6.817 10.625 15.778 132 2HA GLY 519 2HA GLY 519 6.047 9.577 16.975 133 H ILE 520 H ILE 520 4.288 8.164 15.862 134 HA ILE 520 HA ILE 520 5.514 6.866 13.526 135 HB ILE 520 HB ILE 520 4.235 5.554 15.946 136 1HG1 ILE 520 1HG1 ILE 520 6.612 6.160 16.256 137 2HG1 ILE 520 2HG1 ILE 520 6.373 4.418 16.261 138 1HG2 ILE 520 1HG2 ILE 520 3.455 4.410 13.969 139 2HG2 ILE 520 2HG2 ILE 520 4.593 3.390 14.854 140 3HG2 ILE 520 3HG2 ILE 520 5.112 4.229 13.391 141 1HD1 ILE 520 1HD1 ILE 520 7.173 4.311 13.955 142 2HD1 ILE 520 2HD1 ILE 520 8.374 5.050 15.023 143 3HD1 ILE 520 3HD1 ILE 520 7.392 6.057 13.960 144 H MET 521 H MET 521 4.173 6.762 11.894 145 HA MET 521 HA MET 521 1.274 6.906 12.431 146 1HB MET 521 1HB MET 521 0.958 7.533 10.083 147 2HB MET 521 2HB MET 521 2.108 8.632 10.825 148 1HG MET 521 1HG MET 521 3.938 7.506 9.741 149 2HG MET 521 2HG MET 521 2.848 6.279 9.098 150 1HE MET 521 1HE MET 521 3.738 6.674 6.654 151 2HE MET 521 2HE MET 521 4.872 7.902 7.236 152 3HE MET 521 3HE MET 521 3.809 8.251 5.877 153 H GLU 522 H GLU 522 -0.030 5.319 11.868 154 HA GLU 522 HA GLU 522 1.181 2.967 10.623 155 1HB GLU 522 1HB GLU 522 -0.812 3.188 12.828 156 2HB GLU 522 2HB GLU 522 -0.645 1.726 11.882 157 1HG GLU 522 1HG GLU 522 1.695 1.577 12.551 158 2HG GLU 522 2HG GLU 522 1.491 3.014 13.568 159 H VAL 523 H VAL 523 0.386 2.526 8.787 160 HA VAL 523 HA VAL 523 -2.270 3.543 8.046 161 HB VAL 523 HB VAL 523 -0.050 2.611 6.215 162 1HG1 VAL 523 1HG1 VAL 523 -2.267 2.435 5.208 163 2HG1 VAL 523 2HG1 VAL 523 -1.345 3.731 4.449 164 3HG1 VAL 523 3HG1 VAL 523 -2.604 4.114 5.622 165 1HG2 VAL 523 1HG2 VAL 523 -0.863 5.432 6.910 166 2HG2 VAL 523 2HG2 VAL 523 0.445 4.929 5.822 167 3HG2 VAL 523 3HG2 VAL 523 0.550 4.589 7.543 168 H LYS 524 H LYS 524 -3.847 2.170 7.559 169 HA LYS 524 HA LYS 524 -3.504 -0.614 8.117 170 1HB LYS 524 1HB LYS 524 -5.900 1.052 7.415 171 2HB LYS 524 2HB LYS 524 -5.994 -0.686 7.657 172 1HG LYS 524 1HG LYS 524 -4.814 1.130 9.706 173 2HG LYS 524 2HG LYS 524 -6.554 0.795 9.648 174 1HD LYS 524 1HD LYS 524 -6.177 -1.523 10.018 175 2HD LYS 524 2HD LYS 524 -4.437 -1.358 9.784 176 1HE LYS 524 1HE LYS 524 -5.037 -1.617 12.120 177 2HE LYS 524 2HE LYS 524 -4.268 -0.063 11.810 178 1HZ LYS 524 1HZ LYS 524 -6.082 0.306 13.250 179 2HZ LYS 524 2HZ LYS 524 -7.117 -0.637 12.359 180 3HZ LYS 524 3HZ LYS 524 -6.624 0.870 11.752 181 H VAL 525 H VAL 525 -3.380 -2.220 6.857 182 HA VAL 525 HA VAL 525 -3.741 -1.876 3.948 183 HB VAL 525 HB VAL 525 -2.127 -4.051 5.274 184 1HG1 VAL 525 1HG1 VAL 525 -2.067 -2.942 2.478 185 2HG1 VAL 525 2HG1 VAL 525 -2.780 -4.479 2.971 186 3HG1 VAL 525 3HG1 VAL 525 -1.035 -4.238 3.084 187 1HG2 VAL 525 1HG2 VAL 525 -0.106 -2.772 4.811 188 2HG2 VAL 525 2HG2 VAL 525 -1.174 -1.970 5.967 189 3HG2 VAL 525 3HG2 VAL 525 -1.103 -1.408 4.295 190 H LEU 526 H LEU 526 -5.113 -3.300 2.960 191 HA LEU 526 HA LEU 526 -6.838 -4.703 4.778 192 1HB LEU 526 1HB LEU 526 -7.109 -4.216 1.811 193 2HB LEU 526 2HB LEU 526 -8.274 -5.101 2.766 194 HG LEU 526 HG LEU 526 -9.139 -2.888 2.413 195 1HD1 LEU 526 1HD1 LEU 526 -9.613 -3.739 4.597 196 2HD1 LEU 526 2HD1 LEU 526 -9.341 -1.986 4.645 197 3HD1 LEU 526 3HD1 LEU 526 -8.092 -3.076 5.207 198 1HD2 LEU 526 1HD2 LEU 526 -7.998 -0.892 3.118 199 2HD2 LEU 526 2HD2 LEU 526 -7.099 -1.745 1.862 200 3HD2 LEU 526 3HD2 LEU 526 -6.579 -1.845 3.544 201 H ARG 527 H ARG 527 -7.531 -6.779 4.484 202 HA ARG 527 HA ARG 527 -5.303 -8.568 3.897 203 1HB ARG 527 1HB ARG 527 -6.245 -8.473 6.130 204 2HB ARG 527 2HB ARG 527 -7.832 -8.834 5.490 205 1HG ARG 527 1HG ARG 527 -6.960 -11.073 4.819 206 2HG ARG 527 2HG ARG 527 -5.455 -10.674 5.670 207 1HD ARG 527 1HD ARG 527 -6.735 -10.220 7.700 208 2HD ARG 527 2HD ARG 527 -8.208 -10.627 6.861 209 HE ARG 527 HE ARG 527 -6.077 -12.513 7.587 210 1HH1 ARG 527 1HH1 ARG 527 -9.432 -11.921 6.553 211 2HH1 ARG 527 2HH1 ARG 527 -10.008 -13.431 7.059 212 1HH2 ARG 527 1HH2 ARG 527 -6.966 -14.646 8.358 213 2HH2 ARG 527 2HH2 ARG 527 -8.596 -14.970 8.068 214 H THR 528 H THR 528 -5.527 -10.253 2.522 215 HA THR 528 HA THR 528 -7.313 -10.236 0.429 216 HB THR 528 HB THR 528 -5.207 -11.344 0.165 217 HG1 THR 528 HG1 THR 528 -6.009 -13.511 -0.511 218 1HG2 THR 528 1HG2 THR 528 -4.870 -12.109 2.484 219 2HG2 THR 528 2HG2 THR 528 -4.630 -13.427 1.335 220 3HG2 THR 528 3HG2 THR 528 -6.130 -13.323 2.254 221 H SER 529 H SER 529 -8.998 -11.568 -0.154 222 HA SER 529 HA SER 529 -10.791 -12.386 1.915 223 1HB SER 529 1HB SER 529 -11.554 -11.319 -0.218 224 2HB SER 529 2HB SER 529 -10.929 -12.703 -1.100 225 HG SER 529 HG SER 529 -12.817 -13.095 0.950 226 H GLY 530 H GLY 530 -8.238 -13.793 0.114 227 1HA GLY 530 1HA GLY 530 -9.153 -16.517 0.740 228 2HA GLY 530 2HA GLY 530 -8.020 -16.105 -0.547 229 H ALA 531 H ALA 531 -8.271 -15.318 2.886 230 HA ALA 531 HA ALA 531 -5.419 -15.603 3.162 231 1HB ALA 531 1HB ALA 531 -7.495 -14.929 5.244 232 2HB ALA 531 2HB ALA 531 -6.583 -13.755 4.302 233 3HB ALA 531 3HB ALA 531 -5.749 -14.812 5.443 234 H ARG 532 H ARG 532 -5.047 -17.665 2.852 235 HA ARG 532 HA ARG 532 -5.837 -19.492 4.978 236 1HB ARG 532 1HB ARG 532 -5.896 -21.278 3.207 237 2HB ARG 532 2HB ARG 532 -7.261 -20.180 3.343 238 1HG ARG 532 1HG ARG 532 -6.735 -20.684 1.103 239 2HG ARG 532 2HG ARG 532 -6.487 -18.960 1.401 240 1HD ARG 532 1HD ARG 532 -4.162 -19.229 1.507 241 2HD ARG 532 2HD ARG 532 -4.302 -20.980 1.545 242 HE ARG 532 HE ARG 532 -5.435 -19.870 -0.817 243 1HH1 ARG 532 1HH1 ARG 532 -2.262 -20.722 0.555 244 2HH1 ARG 532 2HH1 ARG 532 -1.493 -20.785 -0.957 245 1HH2 ARG 532 1HH2 ARG 532 -4.300 -19.921 -2.872 246 2HH2 ARG 532 2HH2 ARG 532 -2.634 -20.298 -2.909 247 H GLY 533 H GLY 533 -3.416 -17.873 4.381 248 1HA GLY 533 1HA GLY 533 -1.522 -19.731 5.166 249 2HA GLY 533 2HA GLY 533 -1.365 -19.461 3.428 250 H ASN 534 H ASN 534 0.746 -18.672 4.561 251 HA ASN 534 HA ASN 534 0.533 -15.942 5.511 252 1HB ASN 534 1HB ASN 534 2.008 -17.445 6.718 253 2HB ASN 534 2HB ASN 534 2.876 -17.834 5.246 254 1HD2 ASN 534 1HD2 ASN 534 1.929 -14.508 6.117 255 2HD2 ASN 534 2HD2 ASN 534 3.553 -13.993 6.376 256 H VAL 535 H VAL 535 0.752 -14.293 4.243 257 HA VAL 535 HA VAL 535 2.214 -14.585 1.730 258 HB VAL 535 HB VAL 535 -0.225 -12.831 2.219 259 1HG1 VAL 535 1HG1 VAL 535 -0.086 -12.337 -0.186 260 2HG1 VAL 535 2HG1 VAL 535 1.377 -13.311 -0.289 261 3HG1 VAL 535 3HG1 VAL 535 1.377 -11.823 0.662 262 1HG2 VAL 535 1HG2 VAL 535 0.124 -15.297 0.569 263 2HG2 VAL 535 2HG2 VAL 535 -1.315 -14.272 0.536 264 3HG2 VAL 535 3HG2 VAL 535 -0.881 -15.154 2.014 265 H ILE 536 H ILE 536 3.799 -13.205 1.565 266 HA ILE 536 HA ILE 536 4.026 -11.156 3.632 267 HB ILE 536 HB ILE 536 6.159 -12.355 1.836 268 1HG1 ILE 536 1HG1 ILE 536 5.444 -13.883 3.574 269 2HG1 ILE 536 2HG1 ILE 536 7.062 -13.278 3.925 270 1HG2 ILE 536 1HG2 ILE 536 6.419 -10.337 4.026 271 2HG2 ILE 536 2HG2 ILE 536 6.645 -10.030 2.301 272 3HG2 ILE 536 3HG2 ILE 536 7.761 -11.090 3.165 273 1HD1 ILE 536 1HD1 ILE 536 6.080 -11.678 5.510 274 2HD1 ILE 536 2HD1 ILE 536 5.730 -13.360 5.939 275 3HD1 ILE 536 3HD1 ILE 536 4.492 -12.364 5.174 276 H VAL 537 H VAL 537 4.123 -9.079 3.167 277 HA VAL 537 HA VAL 537 3.918 -8.373 0.336 278 HB VAL 537 HB VAL 537 2.613 -6.886 2.638 279 1HG1 VAL 537 1HG1 VAL 537 1.413 -5.650 0.896 280 2HG1 VAL 537 2HG1 VAL 537 2.340 -6.503 -0.337 281 3HG1 VAL 537 3HG1 VAL 537 3.159 -5.424 0.791 282 1HG2 VAL 537 1HG2 VAL 537 0.465 -7.731 1.768 283 2HG2 VAL 537 2HG2 VAL 537 1.517 -9.036 2.313 284 3HG2 VAL 537 3HG2 VAL 537 1.343 -8.709 0.592 285 HA PRO 538 HA PRO 538 7.609 -6.067 1.688 286 1HB PRO 538 1HB PRO 538 8.494 -5.465 -0.812 287 2HB PRO 538 2HB PRO 538 8.785 -7.033 -0.056 288 1HG PRO 538 1HG PRO 538 6.781 -6.262 -2.120 289 2HG PRO 538 2HG PRO 538 7.688 -7.771 -1.945 290 1HD PRO 538 1HD PRO 538 5.064 -7.440 -1.206 291 2HD PRO 538 2HD PRO 538 6.144 -8.665 -0.516 292 H TYR 539 H TYR 539 7.967 -3.869 1.951 293 HA TYR 539 HA TYR 539 6.476 -1.984 0.299 294 1HB TYR 539 1HB TYR 539 5.468 -0.818 2.165 295 2HB TYR 539 2HB TYR 539 5.017 -2.510 2.264 296 HD1 TYR 539 HD1 TYR 539 5.977 -3.950 4.000 297 HD2 TYR 539 HD2 TYR 539 6.793 0.217 3.899 298 HE1 TYR 539 HE1 TYR 539 6.724 -4.049 6.322 299 HE2 TYR 539 HE2 TYR 539 7.561 0.142 6.227 300 HH TYR 539 HH TYR 539 8.210 -2.784 7.800 301 H LYS 540 H LYS 540 7.224 0.255 0.630 302 HA LYS 540 HA LYS 540 9.633 0.687 2.121 303 1HB LYS 540 1HB LYS 540 11.016 1.237 0.182 304 2HB LYS 540 2HB LYS 540 10.529 -0.450 0.159 305 1HG LYS 540 1HG LYS 540 8.811 0.052 -1.479 306 2HG LYS 540 2HG LYS 540 9.257 1.756 -1.434 307 1HD LYS 540 1HD LYS 540 11.491 1.177 -2.178 308 2HD LYS 540 2HD LYS 540 11.024 -0.523 -2.291 309 1HE LYS 540 1HE LYS 540 9.287 0.077 -3.907 310 2HE LYS 540 2HE LYS 540 9.780 1.763 -3.797 311 1HZ LYS 540 1HZ LYS 540 11.490 -0.455 -4.780 312 2HZ LYS 540 2HZ LYS 540 11.932 1.170 -4.706 313 3HZ LYS 540 3HZ LYS 540 10.692 0.680 -5.738 314 H THR 541 H THR 541 10.315 2.940 1.997 315 HA THR 541 HA THR 541 8.145 4.750 1.297 316 HB THR 541 HB THR 541 9.708 6.387 2.554 317 HG1 THR 541 HG1 THR 541 11.528 4.866 2.727 318 1HG2 THR 541 1HG2 THR 541 8.771 5.726 4.736 319 2HG2 THR 541 2HG2 THR 541 8.289 4.183 4.045 320 3HG2 THR 541 3HG2 THR 541 7.561 5.680 3.454 321 H ILE 542 H ILE 542 8.293 5.505 -0.702 322 HA ILE 542 HA ILE 542 10.850 5.922 -2.014 323 HB ILE 542 HB ILE 542 8.046 6.645 -2.943 324 1HG1 ILE 542 1HG1 ILE 542 8.451 4.758 -4.663 325 2HG1 ILE 542 2HG1 ILE 542 9.752 4.239 -3.608 326 1HG2 ILE 542 1HG2 ILE 542 9.663 8.066 -4.007 327 2HG2 ILE 542 2HG2 ILE 542 8.994 6.937 -5.182 328 3HG2 ILE 542 3HG2 ILE 542 10.608 6.667 -4.520 329 1HD1 ILE 542 1HD1 ILE 542 8.154 3.866 -1.815 330 2HD1 ILE 542 2HD1 ILE 542 7.703 2.956 -3.262 331 3HD1 ILE 542 3HD1 ILE 542 6.854 4.450 -2.850 332 H GLU 543 H GLU 543 11.911 7.826 -2.030 333 HA GLU 543 HA GLU 543 11.138 9.904 -0.287 334 1HB GLU 543 1HB GLU 543 13.243 9.920 -2.457 335 2HB GLU 543 2HB GLU 543 13.060 11.150 -1.217 336 1HG GLU 543 1HG GLU 543 13.486 9.455 0.498 337 2HG GLU 543 2HG GLU 543 13.712 8.261 -0.783 338 H GLY 544 H GLY 544 11.576 10.082 -3.825 339 1HA GLY 544 1HA GLY 544 10.324 11.140 -5.432 340 2HA GLY 544 2HA GLY 544 9.075 11.409 -4.228 341 H THR 545 H THR 545 9.558 13.075 -2.652 342 HA THR 545 HA THR 545 11.311 15.184 -3.605 343 HB THR 545 HB THR 545 9.199 15.804 -4.576 344 HG1 THR 545 HG1 THR 545 10.256 17.304 -2.528 345 1HG2 THR 545 1HG2 THR 545 7.168 16.164 -3.207 346 2HG2 THR 545 2HG2 THR 545 8.038 15.506 -1.814 347 3HG2 THR 545 3HG2 THR 545 7.703 14.483 -3.205 348 H ALA 546 H ALA 546 10.315 13.240 -1.101 349 HA ALA 546 HA ALA 546 11.024 15.145 0.949 350 1HB ALA 546 1HB ALA 546 10.396 13.343 2.482 351 2HB ALA 546 2HB ALA 546 10.135 12.267 1.109 352 3HB ALA 546 3HB ALA 546 9.098 13.672 1.336 353 H ARG 547 H ARG 547 12.577 14.122 2.641 354 HA ARG 547 HA ARG 547 14.831 12.952 1.153 355 1HB ARG 547 1HB ARG 547 14.804 15.382 2.233 356 2HB ARG 547 2HB ARG 547 15.169 14.483 3.694 357 1HG ARG 547 1HG ARG 547 17.211 15.286 2.736 358 2HG ARG 547 2HG ARG 547 17.129 13.528 2.552 359 1HD ARG 547 1HD ARG 547 16.603 13.657 0.312 360 2HD ARG 547 2HD ARG 547 16.241 15.391 0.380 361 HE ARG 547 HE ARG 547 18.938 14.292 0.804 362 1HH1 ARG 547 1HH1 ARG 547 16.778 16.543 -0.939 363 2HH1 ARG 547 2HH1 ARG 547 18.053 17.387 -1.672 364 1HH2 ARG 547 1HH2 ARG 547 20.652 15.474 -0.254 365 2HH2 ARG 547 2HH2 ARG 547 20.280 16.761 -1.300 366 H GLY 548 H GLY 548 15.086 10.862 1.707 367 1HA GLY 548 1HA GLY 548 14.041 9.927 4.279 368 2HA GLY 548 2HA GLY 548 14.427 8.932 2.886 369 H GLY 549 H GLY 549 15.205 8.153 5.318 370 1HA GLY 549 1HA GLY 549 17.259 7.083 5.898 371 2HA GLY 549 2HA GLY 549 18.123 8.400 5.109 372 H GLY 550 H GLY 550 15.452 9.173 7.173 373 1HA GLY 550 1HA GLY 550 15.425 9.752 9.424 374 2HA GLY 550 2HA GLY 550 17.177 9.596 9.471 375 H GLU 551 H GLU 551 16.295 11.257 6.764 376 HA GLU 551 HA GLU 551 17.405 13.723 7.718 377 1HB GLU 551 1HB GLU 551 15.961 13.148 5.136 378 2HB GLU 551 2HB GLU 551 17.014 14.512 5.455 379 1HG GLU 551 1HG GLU 551 17.886 11.643 5.426 380 2HG GLU 551 2HG GLU 551 17.967 12.732 4.049 381 H ASP 552 H ASP 552 14.354 13.219 5.949 382 HA ASP 552 HA ASP 552 13.041 15.155 7.756 383 1HB ASP 552 1HB ASP 552 13.238 15.312 5.027 384 2HB ASP 552 2HB ASP 552 11.725 14.428 5.187 385 H PHE 553 H PHE 553 13.032 12.012 6.308 386 HA PHE 553 HA PHE 553 11.131 11.181 8.315 387 1HB PHE 553 1HB PHE 553 9.806 9.850 6.843 388 2HB PHE 553 2HB PHE 553 9.860 11.465 6.166 389 HD1 PHE 553 HD1 PHE 553 11.044 11.866 4.056 390 HD2 PHE 553 HD2 PHE 553 10.810 7.994 5.753 391 HE1 PHE 553 HE1 PHE 553 11.671 10.883 1.882 392 HE2 PHE 553 HE2 PHE 553 11.444 6.995 3.594 393 HZ PHE 553 HZ PHE 553 11.864 8.438 1.653 394 H GLU 554 H GLU 554 11.278 8.913 8.763 395 HA GLU 554 HA GLU 554 13.975 7.917 8.414 396 1HB GLU 554 1HB GLU 554 12.513 8.077 10.576 397 2HB GLU 554 2HB GLU 554 11.681 6.700 9.908 398 1HG GLU 554 1HG GLU 554 14.593 6.811 10.623 399 2HG GLU 554 2HG GLU 554 13.324 6.098 11.604 400 H ASP 555 H ASP 555 14.366 6.245 7.001 401 HA ASP 555 HA ASP 555 12.292 5.661 5.069 402 1HB ASP 555 1HB ASP 555 14.478 6.199 4.195 403 2HB ASP 555 2HB ASP 555 15.219 4.914 5.139 404 H THR 556 H THR 556 10.960 4.058 5.358 405 HA THR 556 HA THR 556 12.002 1.737 6.750 406 HB THR 556 HB THR 556 10.214 2.771 8.059 407 HG1 THR 556 HG1 THR 556 8.677 0.850 7.899 408 1HG2 THR 556 1HG2 THR 556 8.893 3.857 6.372 409 2HG2 THR 556 2HG2 THR 556 7.873 2.684 7.233 410 3HG2 THR 556 3HG2 THR 556 8.502 2.305 5.629 411 H CYS 557 H CYS 557 12.227 0.038 5.685 412 HA CYS 557 HA CYS 557 10.483 -0.623 3.512 413 1HB CYS 557 1HB CYS 557 12.661 -1.348 2.259 414 2HB CYS 557 2HB CYS 557 12.170 0.340 2.201 415 HG CYS 557 HG CYS 557 14.229 1.358 3.350 416 H GLY 558 H GLY 558 10.042 -2.740 3.486 417 1HA GLY 558 1HA GLY 558 11.608 -4.753 4.590 418 2HA GLY 558 2HA GLY 558 10.508 -4.166 5.831 419 H GLU 559 H GLU 559 9.261 -5.985 5.904 420 HA GLU 559 HA GLU 559 7.479 -6.396 3.661 421 1HB GLU 559 1HB GLU 559 9.278 -8.499 4.835 422 2HB GLU 559 2HB GLU 559 7.828 -8.905 3.920 423 1HG GLU 559 1HG GLU 559 8.778 -7.819 1.957 424 2HG GLU 559 2HG GLU 559 10.216 -7.370 2.876 425 H LEU 560 H LEU 560 5.470 -6.819 4.308 426 HA LEU 560 HA LEU 560 4.885 -6.989 7.174 427 1HB LEU 560 1HB LEU 560 3.108 -6.549 4.778 428 2HB LEU 560 2HB LEU 560 2.551 -6.576 6.434 429 HG LEU 560 HG LEU 560 4.517 -4.563 5.352 430 1HD1 LEU 560 1HD1 LEU 560 1.556 -4.310 5.812 431 2HD1 LEU 560 2HD1 LEU 560 2.378 -4.337 4.244 432 3HD1 LEU 560 3HD1 LEU 560 2.669 -3.011 5.372 433 1HD2 LEU 560 1HD2 LEU 560 2.932 -4.672 7.917 434 2HD2 LEU 560 2HD2 LEU 560 3.929 -3.323 7.384 435 3HD2 LEU 560 3HD2 LEU 560 4.681 -4.873 7.760 436 H GLU 561 H GLU 561 3.635 -8.654 8.065 437 HA GLU 561 HA GLU 561 3.565 -11.080 6.458 438 1HB GLU 561 1HB GLU 561 4.950 -11.165 8.460 439 2HB GLU 561 2HB GLU 561 3.585 -10.657 9.436 440 1HG GLU 561 1HG GLU 561 2.419 -12.729 8.880 441 2HG GLU 561 2HG GLU 561 3.816 -13.230 7.924 442 H PHE 562 H PHE 562 1.608 -11.425 5.594 443 HA PHE 562 HA PHE 562 -0.751 -11.109 7.312 444 1HB PHE 562 1HB PHE 562 -0.362 -11.095 4.353 445 2HB PHE 562 2HB PHE 562 -1.904 -11.621 5.021 446 HD1 PHE 562 HD1 PHE 562 0.329 -8.816 4.424 447 HD2 PHE 562 HD2 PHE 562 -3.336 -10.077 6.153 448 HE1 PHE 562 HE1 PHE 562 -0.440 -6.473 4.487 449 HE2 PHE 562 HE2 PHE 562 -4.116 -7.743 6.229 450 HZ PHE 562 HZ PHE 562 -2.679 -5.947 5.395 451 H GLN 563 H GLN 563 -2.089 -12.912 7.595 452 HA GLN 563 HA GLN 563 -1.218 -15.438 6.425 453 1HB GLN 563 1HB GLN 563 -1.559 -15.149 9.433 454 2HB GLN 563 2HB GLN 563 -1.077 -16.565 8.535 455 1HG GLN 563 1HG GLN 563 1.023 -15.556 8.004 456 2HG GLN 563 2HG GLN 563 0.526 -14.089 8.855 457 1HE2 GLN 563 1HE2 GLN 563 2.656 -16.109 9.405 458 2HE2 GLN 563 2HE2 GLN 563 2.384 -16.557 11.050 459 H ASN 564 H ASN 564 -2.778 -17.123 7.693 460 HA ASN 564 HA ASN 564 -5.487 -16.273 7.193 461 1HB ASN 564 1HB ASN 564 -4.800 -18.586 6.693 462 2HB ASN 564 2HB ASN 564 -4.320 -18.816 8.365 463 1HD2 ASN 564 1HD2 ASN 564 -5.661 -20.569 8.538 464 2HD2 ASN 564 2HD2 ASN 564 -7.369 -20.409 8.722 465 H ASP 565 H ASP 565 -3.362 -16.976 9.841 466 HA ASP 565 HA ASP 565 -5.360 -16.405 11.880 467 1HB ASP 565 1HB ASP 565 -2.421 -17.082 12.139 468 2HB ASP 565 2HB ASP 565 -3.533 -16.898 13.485 469 H GLU 566 H GLU 566 -3.520 -14.548 9.965 470 HA GLU 566 HA GLU 566 -3.109 -12.507 12.031 471 1HB GLU 566 1HB GLU 566 -1.007 -13.376 11.032 472 2HB GLU 566 2HB GLU 566 -1.585 -12.877 9.451 473 1HG GLU 566 1HG GLU 566 0.034 -11.313 10.357 474 2HG GLU 566 2HG GLU 566 -1.547 -10.559 10.148 475 H ILE 567 H ILE 567 -4.355 -10.688 11.759 476 HA ILE 567 HA ILE 567 -5.440 -10.336 9.101 477 HB ILE 567 HB ILE 567 -7.564 -9.624 9.941 478 1HG1 ILE 567 1HG1 ILE 567 -7.815 -9.873 12.652 479 2HG1 ILE 567 2HG1 ILE 567 -6.148 -9.284 12.509 480 1HG2 ILE 567 1HG2 ILE 567 -8.413 -11.541 11.196 481 2HG2 ILE 567 2HG2 ILE 567 -6.755 -12.058 11.502 482 3HG2 ILE 567 3HG2 ILE 567 -7.373 -12.011 9.850 483 1HD1 ILE 567 1HD1 ILE 567 -7.694 -7.488 12.867 484 2HD1 ILE 567 2HD1 ILE 567 -8.593 -7.944 11.418 485 3HD1 ILE 567 3HD1 ILE 567 -6.931 -7.365 11.282 486 H VAL 568 H VAL 568 -5.492 -8.347 8.341 487 HA VAL 568 HA VAL 568 -4.747 -6.337 7.824 488 HB VAL 568 HB VAL 568 -6.490 -5.983 9.737 489 1HG1 VAL 568 1HG1 VAL 568 -5.112 -6.240 11.604 490 2HG1 VAL 568 2HG1 VAL 568 -5.757 -4.589 11.584 491 3HG1 VAL 568 3HG1 VAL 568 -4.077 -4.893 11.114 492 1HG2 VAL 568 1HG2 VAL 568 -4.726 -3.738 8.749 493 2HG2 VAL 568 2HG2 VAL 568 -6.300 -3.519 9.503 494 3HG2 VAL 568 3HG2 VAL 568 -6.170 -4.369 7.961 495 H LYS 569 H LYS 569 -3.113 -4.655 8.054 496 HA LYS 569 HA LYS 569 -0.985 -5.151 9.914 497 1HB LYS 569 1HB LYS 569 -0.630 -5.348 6.931 498 2HB LYS 569 2HB LYS 569 0.694 -4.843 7.959 499 1HG LYS 569 1HG LYS 569 -0.719 -7.436 8.470 500 2HG LYS 569 2HG LYS 569 0.495 -7.322 7.203 501 1HD LYS 569 1HD LYS 569 1.589 -8.140 9.129 502 2HD LYS 569 2HD LYS 569 2.096 -6.476 8.942 503 1HE LYS 569 1HE LYS 569 1.722 -7.003 11.283 504 2HE LYS 569 2HE LYS 569 0.517 -5.839 10.782 505 1HZ LYS 569 1HZ LYS 569 -1.089 -7.712 10.582 506 2HZ LYS 569 2HZ LYS 569 -0.449 -7.593 12.128 507 3HZ LYS 569 3HZ LYS 569 0.117 -8.774 11.109 508 H THR 570 H THR 570 0.596 -3.386 9.846 509 HA THR 570 HA THR 570 -0.498 -0.960 8.691 510 HB THR 570 HB THR 570 0.319 0.204 10.824 511 HG1 THR 570 HG1 THR 570 0.412 -0.932 12.659 512 1HG2 THR 570 1HG2 THR 570 -1.818 -0.103 11.972 513 2HG2 THR 570 2HG2 THR 570 -2.174 -1.493 10.935 514 3HG2 THR 570 3HG2 THR 570 -2.030 0.125 10.238 515 H ILE 571 H ILE 571 0.986 0.261 7.752 516 HA ILE 571 HA ILE 571 3.767 -0.496 8.061 517 HB ILE 571 HB ILE 571 2.542 1.738 6.373 518 1HG1 ILE 571 1HG1 ILE 571 3.503 0.379 4.457 519 2HG1 ILE 571 2HG1 ILE 571 3.736 -0.926 5.609 520 1HG2 ILE 571 1HG2 ILE 571 5.418 0.884 6.518 521 2HG2 ILE 571 2HG2 ILE 571 4.738 2.374 7.169 522 3HG2 ILE 571 3HG2 ILE 571 4.735 2.092 5.426 523 1HD1 ILE 571 1HD1 ILE 571 1.371 -1.012 5.997 524 2HD1 ILE 571 2HD1 ILE 571 1.727 -1.179 4.274 525 3HD1 ILE 571 3HD1 ILE 571 1.120 0.353 4.914 526 H SER 572 H SER 572 4.912 0.289 9.646 527 HA SER 572 HA SER 572 3.977 2.679 11.004 528 1HB SER 572 1HB SER 572 6.063 0.638 11.815 529 2HB SER 572 2HB SER 572 5.365 1.902 12.834 530 HG SER 572 HG SER 572 4.068 -0.364 11.729 531 H VAL 573 H VAL 573 4.984 4.522 10.558 532 HA VAL 573 HA VAL 573 7.740 4.420 9.504 533 HB VAL 573 HB VAL 573 5.665 6.485 8.729 534 1HG1 VAL 573 1HG1 VAL 573 8.394 5.922 7.583 535 2HG1 VAL 573 2HG1 VAL 573 7.932 7.305 8.571 536 3HG1 VAL 573 3HG1 VAL 573 7.246 7.109 6.959 537 1HG2 VAL 573 1HG2 VAL 573 5.573 5.396 6.515 538 2HG2 VAL 573 2HG2 VAL 573 4.959 4.371 7.808 539 3HG2 VAL 573 3HG2 VAL 573 6.558 4.073 7.138 540 H LYS 574 H LYS 574 9.160 5.726 10.494 541 HA LYS 574 HA LYS 574 8.265 7.305 12.744 542 1HB LYS 574 1HB LYS 574 10.133 5.809 13.097 543 2HB LYS 574 2HB LYS 574 10.987 6.455 11.721 544 1HG LYS 574 1HG LYS 574 12.001 7.226 13.763 545 2HG LYS 574 2HG LYS 574 11.261 8.588 12.929 546 1HD LYS 574 1HD LYS 574 9.419 8.599 14.432 547 2HD LYS 574 2HD LYS 574 9.938 7.078 15.177 548 1HE LYS 574 1HE LYS 574 11.995 8.210 15.946 549 2HE LYS 574 2HE LYS 574 11.414 9.716 15.245 550 1HZ LYS 574 1HZ LYS 574 10.024 8.212 17.405 551 2HZ LYS 574 2HZ LYS 574 9.587 9.730 16.804 552 3HZ LYS 574 3HZ LYS 574 11.025 9.539 17.634 553 H VAL 575 H VAL 575 7.750 9.291 12.458 554 HA VAL 575 HA VAL 575 8.680 10.767 10.141 555 HB VAL 575 HB VAL 575 6.792 11.605 12.381 556 1HG1 VAL 575 1HG1 VAL 575 7.807 13.536 11.269 557 2HG1 VAL 575 2HG1 VAL 575 6.093 13.415 10.874 558 3HG1 VAL 575 3HG1 VAL 575 7.306 12.905 9.700 559 1HG2 VAL 575 1HG2 VAL 575 6.176 10.610 9.599 560 2HG2 VAL 575 2HG2 VAL 575 4.989 11.208 10.760 561 3HG2 VAL 575 3HG2 VAL 575 5.897 9.735 11.105 562 H ILE 576 H ILE 576 10.186 12.382 10.254 563 HA ILE 576 HA ILE 576 11.625 12.561 12.786 564 HB ILE 576 HB ILE 576 12.472 13.474 9.999 565 1HG1 ILE 576 1HG1 ILE 576 12.216 11.057 10.007 566 2HG1 ILE 576 2HG1 ILE 576 13.918 11.485 9.920 567 1HG2 ILE 576 1HG2 ILE 576 14.748 13.557 10.889 568 2HG2 ILE 576 2HG2 ILE 576 14.143 13.118 12.485 569 3HG2 ILE 576 3HG2 ILE 576 13.673 14.655 11.760 570 1HD1 ILE 576 1HD1 ILE 576 14.107 10.970 12.333 571 2HD1 ILE 576 2HD1 ILE 576 13.601 9.607 11.330 572 3HD1 ILE 576 3HD1 ILE 576 12.408 10.457 12.315 573 H ASP 577 H ASP 577 12.317 14.706 13.445 574 HA ASP 577 HA ASP 577 10.251 16.633 13.254 575 1HB ASP 577 1HB ASP 577 11.697 18.094 14.615 576 2HB ASP 577 2HB ASP 577 11.637 16.477 15.294 577 H ASP 578 H ASP 578 9.930 17.987 11.788 578 HA ASP 578 HA ASP 578 11.430 18.029 9.397 579 1HB ASP 578 1HB ASP 578 8.997 18.217 9.589 580 2HB ASP 578 2HB ASP 578 9.201 19.798 10.307 581 H GLU 579 H GLU 579 13.000 19.188 8.789 582 HA GLU 579 HA GLU 579 14.201 21.109 10.548 583 1HB GLU 579 1HB GLU 579 16.172 20.810 9.203 584 2HB GLU 579 2HB GLU 579 15.514 19.246 9.640 585 1HG GLU 579 1HG GLU 579 15.159 20.578 6.943 586 2HG GLU 579 2HG GLU 579 16.396 19.392 7.308 587 H GLU 580 H GLU 580 12.428 21.216 7.518 588 HA GLU 580 HA GLU 580 13.425 23.949 7.272 589 1HB GLU 580 1HB GLU 580 13.315 23.940 4.876 590 2HB GLU 580 2HB GLU 580 14.234 22.540 5.366 591 1HG GLU 580 1HG GLU 580 11.321 22.341 4.626 592 2HG GLU 580 2HG GLU 580 12.578 22.332 3.408 593 H TYR 581 H TYR 581 11.890 25.280 5.799 594 HA TYR 581 HA TYR 581 9.424 25.586 7.087 595 1HB TYR 581 1HB TYR 581 8.877 27.208 5.388 596 2HB TYR 581 2HB TYR 581 10.603 27.354 5.688 597 HD1 TYR 581 HD1 TYR 581 8.061 26.122 3.348 598 HD2 TYR 581 HD2 TYR 581 12.193 26.915 3.918 599 HE1 TYR 581 HE1 TYR 581 8.390 25.782 1.024 600 HE2 TYR 581 HE2 TYR 581 12.577 26.595 1.504 601 HH TYR 581 HH TYR 581 10.067 26.509 -0.735 602 H GLU 582 H GLU 582 7.238 25.153 6.158 603 HA GLU 582 HA GLU 582 7.423 22.553 4.985 604 1HB GLU 582 1HB GLU 582 5.935 23.018 6.919 605 2HB GLU 582 2HB GLU 582 4.904 23.924 5.816 606 1HG GLU 582 1HG GLU 582 4.044 21.683 6.140 607 2HG GLU 582 2HG GLU 582 4.579 21.903 4.472 608 H LYS 583 H LYS 583 7.947 22.659 3.074 609 HA LYS 583 HA LYS 583 5.865 23.581 1.253 610 1HB LYS 583 1HB LYS 583 7.296 22.712 -0.563 611 2HB LYS 583 2HB LYS 583 8.233 23.813 0.430 612 1HG LYS 583 1HG LYS 583 9.478 22.057 1.377 613 2HG LYS 583 2HG LYS 583 8.329 20.839 0.815 614 1HD LYS 583 1HD LYS 583 10.321 20.786 -0.572 615 2HD LYS 583 2HD LYS 583 8.914 21.369 -1.477 616 1HE LYS 583 1HE LYS 583 9.654 23.646 -1.254 617 2HE LYS 583 2HE LYS 583 10.991 23.148 -0.227 618 1HZ LYS 583 1HZ LYS 583 11.882 21.906 -2.152 619 2HZ LYS 583 2HZ LYS 583 11.784 23.559 -2.398 620 3HZ LYS 583 3HZ LYS 583 10.657 22.557 -3.132 621 H ASN 584 H ASN 584 4.446 22.027 0.513 622 HA ASN 584 HA ASN 584 4.399 19.722 2.216 623 1HB ASN 584 1HB ASN 584 2.408 20.665 0.186 624 2HB ASN 584 2HB ASN 584 2.245 19.111 0.990 625 1HD2 ASN 584 1HD2 ASN 584 3.286 20.117 3.562 626 2HD2 ASN 584 2HD2 ASN 584 2.046 21.108 4.194 627 H LYS 585 H LYS 585 6.225 18.846 1.566 628 HA LYS 585 HA LYS 585 6.304 17.504 -0.980 629 1HB LYS 585 1HB LYS 585 8.534 16.945 -0.506 630 2HB LYS 585 2HB LYS 585 8.357 18.386 0.461 631 1HG LYS 585 1HG LYS 585 8.125 15.570 1.521 632 2HG LYS 585 2HG LYS 585 9.586 16.544 1.575 633 1HD LYS 585 1HD LYS 585 6.979 17.281 2.842 634 2HD LYS 585 2HD LYS 585 8.269 16.399 3.665 635 1HE LYS 585 1HE LYS 585 9.827 18.297 3.256 636 2HE LYS 585 2HE LYS 585 8.518 19.194 2.493 637 1HZ LYS 585 1HZ LYS 585 8.891 19.867 4.813 638 2HZ LYS 585 2HZ LYS 585 8.488 18.318 5.347 639 3HZ LYS 585 3HZ LYS 585 7.348 19.268 4.567 640 H THR 586 H THR 586 6.680 15.018 -0.866 641 HA THR 586 HA THR 586 5.345 13.773 1.295 642 HB THR 586 HB THR 586 3.449 14.593 0.239 643 HG1 THR 586 HG1 THR 586 3.298 12.429 0.796 644 1HG2 THR 586 1HG2 THR 586 4.456 13.514 -2.383 645 2HG2 THR 586 2HG2 THR 586 4.310 15.217 -1.907 646 3HG2 THR 586 3HG2 THR 586 2.857 14.230 -2.110 647 H PHE 587 H PHE 587 5.586 11.696 1.349 648 HA PHE 587 HA PHE 587 7.355 10.537 -0.625 649 1HB PHE 587 1HB PHE 587 7.917 8.933 1.383 650 2HB PHE 587 2HB PHE 587 8.731 10.475 1.227 651 HD1 PHE 587 HD1 PHE 587 5.889 8.820 3.009 652 HD2 PHE 587 HD2 PHE 587 8.739 11.952 2.972 653 HE1 PHE 587 HE1 PHE 587 5.300 9.443 5.369 654 HE2 PHE 587 HE2 PHE 587 8.154 12.535 5.268 655 HZ PHE 587 HZ PHE 587 6.433 11.265 6.458 656 H PHE 588 H PHE 588 7.035 8.331 -1.074 657 HA PHE 588 HA PHE 588 4.153 7.777 -0.956 658 1HB PHE 588 1HB PHE 588 6.072 6.616 -2.964 659 2HB PHE 588 2HB PHE 588 4.328 6.726 -3.046 660 HD1 PHE 588 HD1 PHE 588 3.470 9.294 -2.849 661 HD2 PHE 588 HD2 PHE 588 7.217 8.006 -4.353 662 HE1 PHE 588 HE1 PHE 588 3.661 11.385 -4.151 663 HE2 PHE 588 HE2 PHE 588 7.422 10.082 -5.656 664 HZ PHE 588 HZ PHE 588 5.644 11.770 -5.555 665 H LEU 589 H LEU 589 3.537 6.017 0.048 666 HA LEU 589 HA LEU 589 5.567 3.998 0.676 667 1HB LEU 589 1HB LEU 589 3.826 5.076 2.423 668 2HB LEU 589 2HB LEU 589 2.764 3.879 1.713 669 HG LEU 589 HG LEU 589 3.644 3.046 3.769 670 1HD1 LEU 589 1HD1 LEU 589 4.800 1.638 1.391 671 2HD1 LEU 589 2HD1 LEU 589 3.263 1.318 2.218 672 3HD1 LEU 589 3HD1 LEU 589 4.795 0.988 3.025 673 1HD2 LEU 589 1HD2 LEU 589 6.051 2.630 4.057 674 2HD2 LEU 589 2HD2 LEU 589 5.608 4.333 3.952 675 3HD2 LEU 589 3HD2 LEU 589 6.342 3.527 2.564 676 H GLU 590 H GLU 590 5.580 2.371 -0.676 677 HA GLU 590 HA GLU 590 3.081 1.642 -2.015 678 1HB GLU 590 1HB GLU 590 4.610 2.985 -3.484 679 2HB GLU 590 2HB GLU 590 5.814 1.724 -3.291 680 1HG GLU 590 1HG GLU 590 4.245 0.120 -4.327 681 2HG GLU 590 2HG GLU 590 3.119 1.450 -4.596 682 H ILE 591 H ILE 591 2.838 -0.502 -2.342 683 HA ILE 591 HA ILE 591 4.763 -2.184 -0.959 684 HB ILE 591 HB ILE 591 2.932 -3.848 -0.752 685 1HG1 ILE 591 1HG1 ILE 591 1.153 -1.613 -1.771 686 2HG1 ILE 591 2HG1 ILE 591 1.506 -3.111 -2.618 687 1HG2 ILE 591 1HG2 ILE 591 1.700 -2.702 1.046 688 2HG2 ILE 591 2HG2 ILE 591 2.375 -1.169 0.498 689 3HG2 ILE 591 3HG2 ILE 591 3.440 -2.431 1.118 690 1HD1 ILE 591 1HD1 ILE 591 -0.694 -3.191 -1.589 691 2HD1 ILE 591 2HD1 ILE 591 0.022 -2.843 -0.018 692 3HD1 ILE 591 3HD1 ILE 591 0.384 -4.367 -0.832 693 H GLY 592 H GLY 592 5.217 -4.173 -1.887 694 1HA GLY 592 1HA GLY 592 5.182 -4.004 -4.802 695 2HA GLY 592 2HA GLY 592 6.312 -4.956 -3.843 696 H GLU 593 H GLU 593 5.737 -6.602 -5.328 697 HA GLU 593 HA GLU 593 3.157 -7.707 -5.534 698 1HB GLU 593 1HB GLU 593 4.719 -8.093 -7.231 699 2HB GLU 593 2HB GLU 593 5.925 -8.743 -6.123 700 1HG GLU 593 1HG GLU 593 3.937 -10.468 -5.706 701 2HG GLU 593 2HG GLU 593 3.548 -9.936 -7.347 702 HA PRO 594 HA PRO 594 3.254 -9.763 -1.562 703 1HB PRO 594 1HB PRO 594 0.822 -11.037 -1.917 704 2HB PRO 594 2HB PRO 594 1.011 -9.418 -1.253 705 1HG PRO 594 1HG PRO 594 0.161 -10.266 -3.946 706 2HG PRO 594 2HG PRO 594 -0.274 -8.814 -3.041 707 1HD PRO 594 1HD PRO 594 1.520 -8.926 -5.131 708 2HD PRO 594 2HD PRO 594 1.475 -7.638 -3.910 709 H ARG 595 H ARG 595 3.804 -11.770 -0.974 710 HA ARG 595 HA ARG 595 4.164 -13.724 -3.134 711 1HB ARG 595 1HB ARG 595 6.353 -14.288 -1.979 712 2HB ARG 595 2HB ARG 595 6.299 -12.713 -2.762 713 1HG ARG 595 1HG ARG 595 5.790 -11.697 -0.552 714 2HG ARG 595 2HG ARG 595 5.985 -13.300 0.151 715 1HD ARG 595 1HD ARG 595 8.129 -11.865 -1.389 716 2HD ARG 595 2HD ARG 595 7.972 -11.797 0.363 717 HE ARG 595 HE ARG 595 8.157 -14.418 -0.857 718 1HH1 ARG 595 1HH1 ARG 595 9.778 -11.835 1.049 719 2HH1 ARG 595 2HH1 ARG 595 11.119 -12.816 1.386 720 1HH2 ARG 595 1HH2 ARG 595 10.016 -15.686 -0.350 721 2HH2 ARG 595 2HH2 ARG 595 11.272 -15.053 0.614 722 H LEU 596 H LEU 596 3.217 -15.586 -2.726 723 HA LEU 596 HA LEU 596 2.047 -16.182 -0.190 724 1HB LEU 596 1HB LEU 596 1.529 -16.906 -2.754 725 2HB LEU 596 2HB LEU 596 2.424 -18.310 -2.218 726 HG LEU 596 HG LEU 596 0.301 -18.995 -1.833 727 1HD1 LEU 596 1HD1 LEU 596 1.425 -19.223 0.282 728 2HD1 LEU 596 2HD1 LEU 596 -0.298 -18.927 0.506 729 3HD1 LEU 596 3HD1 LEU 596 0.857 -17.623 0.771 730 1HD2 LEU 596 1HD2 LEU 596 -0.420 -16.171 -1.138 731 2HD2 LEU 596 2HD2 LEU 596 -1.540 -17.529 -1.012 732 3HD2 LEU 596 3HD2 LEU 596 -0.865 -17.078 -2.580 733 H VAL 597 H VAL 597 3.125 -17.182 1.440 734 HA VAL 597 HA VAL 597 5.742 -18.317 0.902 735 HB VAL 597 HB VAL 597 4.288 -18.155 3.447 736 1HG1 VAL 597 1HG1 VAL 597 7.257 -18.422 2.872 737 2HG1 VAL 597 2HG1 VAL 597 6.201 -19.644 3.580 738 3HG1 VAL 597 3HG1 VAL 597 6.606 -18.191 4.495 739 1HG2 VAL 597 1HG2 VAL 597 4.403 -15.904 2.660 740 2HG2 VAL 597 2HG2 VAL 597 6.123 -16.054 2.304 741 3HG2 VAL 597 3HG2 VAL 597 5.562 -16.064 3.978 742 H GLU 598 H GLU 598 4.560 -19.843 -0.277 743 HA GLU 598 HA GLU 598 4.460 -22.311 1.238 744 1HB GLU 598 1HB GLU 598 2.408 -23.143 0.322 745 2HB GLU 598 2HB GLU 598 2.056 -21.576 1.020 746 1HG GLU 598 1HG GLU 598 2.110 -20.572 -1.209 747 2HG GLU 598 2HG GLU 598 2.479 -22.148 -1.898 748 H MET 599 H MET 599 5.029 -24.097 0.024 749 HA MET 599 HA MET 599 6.416 -23.356 -2.391 750 1HB MET 599 1HB MET 599 7.318 -25.626 -2.438 751 2HB MET 599 2HB MET 599 7.588 -24.892 -0.872 752 1HG MET 599 1HG MET 599 6.031 -26.266 0.184 753 2HG MET 599 2HG MET 599 5.241 -26.690 -1.329 754 1HE MET 599 1HE MET 599 7.814 -27.373 -3.204 755 2HE MET 599 2HE MET 599 6.269 -28.177 -3.144 756 3HE MET 599 3HE MET 599 7.753 -29.126 -2.997 757 H SER 600 H SER 600 5.339 -23.271 -4.165 758 HA SER 600 HA SER 600 3.349 -25.359 -4.625 759 1HB SER 600 1HB SER 600 3.280 -22.525 -5.570 760 2HB SER 600 2HB SER 600 2.100 -23.788 -5.979 761 HG SER 600 HG SER 600 2.361 -23.838 -3.400 762 H GLU 601 H GLU 601 4.392 -26.742 -5.835 763 HA GLU 601 HA GLU 601 5.091 -25.882 -8.465 764 1HB GLU 601 1HB GLU 601 7.279 -27.086 -8.405 765 2HB GLU 601 2HB GLU 601 7.236 -25.617 -7.444 766 1HG GLU 601 1HG GLU 601 6.950 -26.944 -5.426 767 2HG GLU 601 2HG GLU 601 6.974 -28.418 -6.391 768 H LYS 602 H LYS 602 4.241 -27.228 -9.801 769 HA LYS 602 HA LYS 602 4.065 -30.021 -9.038 770 1HB LYS 602 1HB LYS 602 1.812 -28.843 -9.003 771 2HB LYS 602 2HB LYS 602 2.040 -28.510 -10.708 772 1HG LYS 602 1HG LYS 602 0.644 -30.353 -10.743 773 2HG LYS 602 2HG LYS 602 2.232 -31.066 -10.962 774 1HD LYS 602 1HD LYS 602 0.781 -30.915 -8.307 775 2HD LYS 602 2HD LYS 602 0.699 -32.298 -9.380 776 1HE LYS 602 1HE LYS 602 3.202 -31.263 -7.987 777 2HE LYS 602 2HE LYS 602 2.232 -32.619 -7.510 778 1HZ LYS 602 1HZ LYS 602 3.658 -32.542 -10.133 779 2HZ LYS 602 2HZ LYS 602 2.861 -33.861 -9.442 780 3HZ LYS 602 3HZ LYS 602 4.232 -33.258 -8.730 781 H LYS 603 H LYS 603 5.783 -30.667 -10.126 782 HA LYS 603 HA LYS 603 5.738 -30.251 -12.987 783 1HB LYS 603 1HB LYS 603 8.325 -30.146 -12.863 784 2HB LYS 603 2HB LYS 603 7.400 -28.713 -12.486 785 1HG LYS 603 1HG LYS 603 9.227 -28.897 -10.922 786 2HG LYS 603 2HG LYS 603 7.720 -29.169 -10.067 787 1HD LYS 603 1HD LYS 603 9.379 -30.735 -9.272 788 2HD LYS 603 2HD LYS 603 8.152 -31.612 -10.175 789 1HE LYS 603 1HE LYS 603 9.644 -31.648 -12.141 790 2HE LYS 603 2HE LYS 603 10.870 -30.798 -11.199 791 1HZ LYS 603 1HZ LYS 603 11.245 -33.182 -11.291 792 2HZ LYS 603 2HZ LYS 603 9.769 -33.467 -10.522 793 3HZ LYS 603 3HZ LYS 603 11.003 -32.655 -9.715 794 H GLY 604 H GLY 604 6.281 -31.881 -14.211 795 1HA GLY 604 1HA GLY 604 6.899 -34.405 -12.848 796 2HA GLY 604 2HA GLY 604 5.981 -34.284 -14.350 797 H GLY 605 H GLY 605 7.466 -32.498 -15.766 798 1HA GLY 605 1HA GLY 605 10.095 -32.519 -15.940 799 2HA GLY 605 2HA GLY 605 9.724 -34.158 -16.465 800 H PHE 606 H PHE 606 9.028 -34.497 -18.446 801 HA PHE 606 HA PHE 606 9.502 -32.531 -20.367 802 1HB PHE 606 1HB PHE 606 8.576 -34.236 -22.021 803 2HB PHE 606 2HB PHE 606 9.954 -34.738 -21.061 804 HD1 PHE 606 HD1 PHE 606 9.694 -36.454 -19.334 805 HD2 PHE 606 HD2 PHE 606 6.418 -35.281 -21.773 806 HE1 PHE 606 HE1 PHE 606 8.470 -38.470 -18.659 807 HE2 PHE 606 HE2 PHE 606 5.183 -37.296 -21.096 808 HZ PHE 606 HZ PHE 606 6.208 -38.894 -19.536 809 H THR 607 H THR 607 8.334 -30.779 -20.263 810 HA THR 607 HA THR 607 5.599 -30.937 -21.184 811 HB THR 607 HB THR 607 5.135 -29.042 -19.468 812 HG1 THR 607 HG1 THR 607 7.398 -30.323 -18.464 813 1HG2 THR 607 1HG2 THR 607 4.115 -30.684 -17.925 814 2HG2 THR 607 2HG2 THR 607 5.089 -31.954 -18.659 815 3HG2 THR 607 3HG2 THR 607 3.851 -31.137 -19.612 816 H ILE 608 H ILE 608 5.107 -29.395 -22.543 817 HA ILE 608 HA ILE 608 7.024 -27.257 -22.955 818 HB ILE 608 HB ILE 608 4.784 -28.248 -24.728 819 1HG1 ILE 608 1HG1 ILE 608 7.775 -28.676 -24.942 820 2HG1 ILE 608 2HG1 ILE 608 6.607 -29.892 -24.447 821 1HG2 ILE 608 1HG2 ILE 608 5.844 -26.847 -26.470 822 2HG2 ILE 608 2HG2 ILE 608 7.012 -26.272 -25.282 823 3HG2 ILE 608 3HG2 ILE 608 5.304 -25.877 -25.098 824 1HD1 ILE 608 1HD1 ILE 608 6.728 -28.571 -27.142 825 2HD1 ILE 608 2HD1 ILE 608 5.607 -29.843 -26.653 826 3HD1 ILE 608 3HD1 ILE 608 7.336 -30.177 -26.754 827 H THR 609 H THR 609 6.474 -25.483 -21.931 828 HA THR 609 HA THR 609 4.043 -24.137 -22.187 829 HB THR 609 HB THR 609 3.269 -25.965 -20.606 830 HG1 THR 609 HG1 THR 609 2.569 -23.635 -20.522 831 1HG2 THR 609 1HG2 THR 609 5.368 -26.369 -19.423 832 2HG2 THR 609 2HG2 THR 609 4.085 -25.955 -18.280 833 3HG2 THR 609 3HG2 THR 609 5.295 -24.750 -18.730 834 H GLU 610 H GLU 610 4.244 -22.058 -20.962 835 HA GLU 610 HA GLU 610 6.931 -21.742 -19.917 836 1HB GLU 610 1HB GLU 610 5.249 -19.681 -21.348 837 2HB GLU 610 2HB GLU 610 6.710 -19.293 -20.456 838 1HG GLU 610 1HG GLU 610 7.953 -20.846 -21.952 839 2HG GLU 610 2HG GLU 610 6.480 -21.017 -22.907 840 H GLU 611 H GLU 611 6.250 -22.463 -17.985 841 HA GLU 611 HA GLU 611 4.248 -20.980 -16.555 842 1HB GLU 611 1HB GLU 611 5.839 -23.441 -16.042 843 2HB GLU 611 2HB GLU 611 5.139 -22.588 -14.659 844 1HG GLU 611 1HG GLU 611 3.672 -23.684 -17.041 845 2HG GLU 611 2HG GLU 611 3.738 -24.410 -15.434 846 H TYR 612 H TYR 612 4.853 -19.046 -16.026 847 HA TYR 612 HA TYR 612 7.603 -18.485 -15.369 848 1HB TYR 612 1HB TYR 612 5.224 -16.652 -15.601 849 2HB TYR 612 2HB TYR 612 6.863 -16.126 -15.253 850 HD1 TYR 612 HD1 TYR 612 8.654 -16.595 -17.023 851 HD2 TYR 612 HD2 TYR 612 4.485 -16.897 -17.791 852 HE1 TYR 612 HE1 TYR 612 9.085 -16.357 -19.430 853 HE2 TYR 612 HE2 TYR 612 4.906 -16.676 -20.196 854 HH TYR 612 HH TYR 612 7.880 -17.025 -21.594 855 H ASP 613 H ASP 613 8.363 -18.187 -13.459 856 HA ASP 613 HA ASP 613 6.566 -17.684 -11.183 857 1HB ASP 613 1HB ASP 613 9.286 -19.037 -11.254 858 2HB ASP 613 2HB ASP 613 8.471 -18.566 -9.768 859 H ASP 614 H ASP 614 8.088 -16.252 -13.334 860 HA ASP 614 HA ASP 614 10.154 -14.672 -12.420 861 1HB ASP 614 1HB ASP 614 9.566 -14.929 -14.771 862 2HB ASP 614 2HB ASP 614 8.042 -14.104 -14.500 863 H LYS 615 H LYS 615 10.279 -12.967 -11.152 864 HA LYS 615 HA LYS 615 7.847 -12.029 -9.913 865 1HB LYS 615 1HB LYS 615 9.363 -10.869 -8.272 866 2HB LYS 615 2HB LYS 615 9.533 -12.610 -8.329 867 1HG LYS 615 1HG LYS 615 11.579 -12.370 -9.657 868 2HG LYS 615 2HG LYS 615 11.378 -10.626 -9.647 869 1HD LYS 615 1HD LYS 615 13.028 -11.134 -7.999 870 2HD LYS 615 2HD LYS 615 11.569 -10.704 -7.130 871 1HE LYS 615 1HE LYS 615 12.484 -13.553 -7.636 872 2HE LYS 615 2HE LYS 615 12.856 -12.644 -6.187 873 1HZ LYS 615 1HZ LYS 615 10.423 -12.517 -5.766 874 2HZ LYS 615 2HZ LYS 615 11.045 -14.081 -5.778 875 3HZ LYS 615 3HZ LYS 615 10.157 -13.560 -7.076 876 H GLN 616 H GLN 616 6.853 -10.736 -11.230 877 HA GLN 616 HA GLN 616 8.203 -8.376 -12.334 878 1HB GLN 616 1HB GLN 616 5.530 -9.664 -12.889 879 2HB GLN 616 2HB GLN 616 5.986 -8.117 -13.561 880 1HG GLN 616 1HG GLN 616 7.892 -9.239 -14.677 881 2HG GLN 616 2HG GLN 616 7.272 -10.779 -14.079 882 1HE2 GLN 616 1HE2 GLN 616 7.577 -9.742 -16.797 883 2HE2 GLN 616 2HE2 GLN 616 6.007 -9.869 -17.523 884 HA PRO 617 HA PRO 617 5.923 -5.800 -9.433 885 1HB PRO 617 1HB PRO 617 5.172 -3.678 -10.977 886 2HB PRO 617 2HB PRO 617 6.834 -3.891 -10.414 887 1HG PRO 617 1HG PRO 617 5.635 -4.544 -13.076 888 2HG PRO 617 2HG PRO 617 7.192 -3.781 -12.707 889 1HD PRO 617 1HD PRO 617 6.981 -6.386 -13.364 890 2HD PRO 617 2HD PRO 617 8.206 -5.793 -12.233 891 H LEU 618 H LEU 618 3.637 -4.508 -9.523 892 HA LEU 618 HA LEU 618 1.823 -6.571 -10.259 893 1HB LEU 618 1HB LEU 618 1.378 -3.911 -8.945 894 2HB LEU 618 2HB LEU 618 0.055 -4.969 -9.374 895 HG LEU 618 HG LEU 618 0.462 -5.270 -7.056 896 1HD1 LEU 618 1HD1 LEU 618 0.990 -7.597 -6.841 897 2HD1 LEU 618 2HD1 LEU 618 1.799 -7.600 -8.389 898 3HD1 LEU 618 3HD1 LEU 618 0.044 -7.352 -8.316 899 1HD2 LEU 618 1HD2 LEU 618 2.586 -5.866 -6.087 900 2HD2 LEU 618 2HD2 LEU 618 2.754 -4.340 -6.967 901 3HD2 LEU 618 3HD2 LEU 618 3.339 -5.860 -7.668 902 H THR 619 H THR 619 1.393 -6.878 -12.207 903 HA THR 619 HA THR 619 0.063 -4.957 -13.818 904 HB THR 619 HB THR 619 2.469 -4.361 -14.198 905 HG1 THR 619 HG1 THR 619 1.481 -3.971 -16.010 906 1HG2 THR 619 1HG2 THR 619 2.727 -7.232 -15.116 907 2HG2 THR 619 2HG2 THR 619 3.503 -6.519 -13.703 908 3HG2 THR 619 3HG2 THR 619 3.963 -5.994 -15.322 909 H SER 620 H SER 620 -0.598 -6.159 -15.827 910 HA SER 620 HA SER 620 -0.416 -9.080 -15.495 911 1HB SER 620 1HB SER 620 -2.711 -8.029 -15.165 912 2HB SER 620 2HB SER 620 -2.640 -7.556 -16.863 913 HG SER 620 HG SER 620 -2.963 -10.037 -15.673 914 H LYS 621 H LYS 621 0.381 -6.350 -17.319 915 HA LYS 621 HA LYS 621 1.346 -5.962 -19.298 916 1HB LYS 621 1HB LYS 621 2.113 -8.864 -18.968 917 2HB LYS 621 2HB LYS 621 2.718 -7.874 -20.280 918 1HG LYS 621 1HG LYS 621 3.087 -6.917 -17.475 919 2HG LYS 621 2HG LYS 621 4.109 -8.220 -18.065 920 1HD LYS 621 1HD LYS 621 5.264 -6.123 -18.398 921 2HD LYS 621 2HD LYS 621 4.799 -6.767 -19.957 922 1HE LYS 621 1HE LYS 621 4.460 -4.393 -19.907 923 2HE LYS 621 2HE LYS 621 2.900 -5.175 -20.032 924 1HZ LYS 621 1HZ LYS 621 2.658 -4.775 -17.550 925 2HZ LYS 621 2HZ LYS 621 2.784 -3.394 -18.479 926 3HZ LYS 621 3HZ LYS 621 4.126 -3.934 -17.624 927 H GLU 622 H GLU 622 -1.422 -7.049 -19.167 928 HA GLU 622 HA GLU 622 -3.157 -7.646 -20.443 929 1HB GLU 622 1HB GLU 622 -1.385 -6.564 -22.634 930 2HB GLU 622 2HB GLU 622 -3.089 -6.956 -22.840 931 1HG GLU 622 1HG GLU 622 -1.934 -4.875 -20.992 932 2HG GLU 622 2HG GLU 622 -2.832 -4.581 -22.483 933 H GLU 623 H GLU 623 -1.226 -9.674 -19.864 934 HA GLU 623 HA GLU 623 -1.391 -11.354 -22.262 935 1HB GLU 623 1HB GLU 623 0.282 -11.753 -19.789 936 2HB GLU 623 2HB GLU 623 0.304 -12.758 -21.227 937 1HG GLU 623 1HG GLU 623 1.064 -10.768 -22.507 938 2HG GLU 623 2HG GLU 623 1.205 -9.908 -20.976 939 H GLU 624 H GLU 624 -2.598 -13.129 -22.275 940 HA GLU 624 HA GLU 624 -4.509 -13.749 -20.312 941 1HB GLU 624 1HB GLU 624 -4.672 -14.409 -22.682 942 2HB GLU 624 2HB GLU 624 -3.308 -15.491 -22.484 943 1HG GLU 624 1HG GLU 624 -4.625 -16.833 -20.916 944 2HG GLU 624 2HG GLU 624 -5.993 -15.748 -21.159 945 H GLU 625 H GLU 625 -1.326 -14.910 -21.003 946 HA GLU 625 HA GLU 625 -1.063 -17.115 -19.324 947 1HB GLU 625 1HB GLU 625 0.539 -16.215 -21.116 948 2HB GLU 625 2HB GLU 625 1.095 -15.097 -19.894 949 1HG GLU 625 1HG GLU 625 2.588 -16.979 -20.069 950 2HG GLU 625 2HG GLU 625 1.796 -16.956 -18.493 951 H ARG 626 H ARG 626 -0.843 -13.636 -18.640 952 HA ARG 626 HA ARG 626 0.380 -14.062 -16.096 953 1HB ARG 626 1HB ARG 626 0.540 -12.001 -17.706 954 2HB ARG 626 2HB ARG 626 -0.921 -11.487 -16.883 955 1HG ARG 626 1HG ARG 626 0.979 -10.450 -15.853 956 2HG ARG 626 2HG ARG 626 0.299 -11.633 -14.721 957 1HD ARG 626 1HD ARG 626 2.771 -11.682 -14.829 958 2HD ARG 626 2HD ARG 626 2.055 -13.219 -15.302 959 HE ARG 626 HE ARG 626 2.416 -11.644 -17.592 960 1HH1 ARG 626 1HH1 ARG 626 4.471 -13.280 -15.230 961 2HH1 ARG 626 2HH1 ARG 626 5.742 -13.558 -16.354 962 1HH2 ARG 626 1HH2 ARG 626 4.104 -12.077 -19.094 963 2HH2 ARG 626 2HH2 ARG 626 5.523 -12.891 -18.598 964 H ARG 627 H ARG 627 -2.837 -13.671 -17.377 965 HA ARG 627 HA ARG 627 -4.251 -13.033 -15.008 966 1HB ARG 627 1HB ARG 627 -5.161 -14.698 -17.365 967 2HB ARG 627 2HB ARG 627 -6.222 -14.055 -16.119 968 1HG ARG 627 1HG ARG 627 -4.552 -12.446 -18.013 969 2HG ARG 627 2HG ARG 627 -6.302 -12.715 -18.149 970 1HD ARG 627 1HD ARG 627 -4.878 -11.489 -15.864 971 2HD ARG 627 2HD ARG 627 -5.671 -10.544 -17.139 972 HE ARG 627 HE ARG 627 -7.759 -11.815 -16.351 973 1HH1 ARG 627 1HH1 ARG 627 -5.156 -10.845 -14.121 974 2HH1 ARG 627 2HH1 ARG 627 -6.196 -10.682 -12.795 975 1HH2 ARG 627 1HH2 ARG 627 -9.155 -11.613 -14.479 976 2HH2 ARG 627 2HH2 ARG 627 -8.509 -11.157 -12.971 977 H ILE 628 H ILE 628 -3.201 -15.963 -16.404 978 HA ILE 628 HA ILE 628 -4.433 -17.794 -14.677 979 HB ILE 628 HB ILE 628 -1.937 -17.990 -16.355 980 1HG1 ILE 628 1HG1 ILE 628 -4.795 -18.758 -16.945 981 2HG1 ILE 628 2HG1 ILE 628 -4.020 -17.267 -17.489 982 1HG2 ILE 628 1HG2 ILE 628 -3.668 -20.172 -15.183 983 2HG2 ILE 628 2HG2 ILE 628 -2.051 -19.711 -14.651 984 3HG2 ILE 628 3HG2 ILE 628 -2.279 -20.412 -16.264 985 1HD1 ILE 628 1HD1 ILE 628 -2.426 -18.642 -18.797 986 2HD1 ILE 628 2HD1 ILE 628 -4.095 -18.960 -19.266 987 3HD1 ILE 628 3HD1 ILE 628 -3.237 -20.101 -18.232 988 H ALA 629 H ALA 629 -1.275 -16.247 -14.701 989 HA ALA 629 HA ALA 629 -0.297 -17.547 -12.408 990 1HB ALA 629 1HB ALA 629 1.474 -15.844 -12.420 991 2HB ALA 629 2HB ALA 629 0.550 -14.900 -13.592 992 3HB ALA 629 3HB ALA 629 1.183 -16.485 -14.040 993 H GLU 630 H GLU 630 -1.978 -14.493 -12.937 994 HA GLU 630 HA GLU 630 -1.857 -13.449 -10.290 995 1HB GLU 630 1HB GLU 630 -3.910 -12.977 -12.449 996 2HB GLU 630 2HB GLU 630 -3.810 -12.071 -10.956 997 1HG GLU 630 1HG GLU 630 -1.625 -11.220 -11.622 998 2HG GLU 630 2HG GLU 630 -1.731 -12.146 -13.124 999 H MET 631 H MET 631 -3.761 -15.918 -11.703 1000 HA MET 631 HA MET 631 -5.942 -15.812 -9.934 1001 1HB MET 631 1HB MET 631 -6.057 -16.666 -12.190 1002 2HB MET 631 2HB MET 631 -4.833 -17.864 -11.811 1003 1HG MET 631 1HG MET 631 -6.308 -18.906 -10.277 1004 2HG MET 631 2HG MET 631 -7.557 -17.695 -10.630 1005 1HE MET 631 1HE MET 631 -5.961 -20.744 -13.735 1006 2HE MET 631 2HE MET 631 -5.375 -20.618 -12.075 1007 3HE MET 631 3HE MET 631 -5.036 -19.335 -13.231 1008 H GLY 632 H GLY 632 -2.779 -17.296 -9.972 1009 1HA GLY 632 1HA GLY 632 -3.496 -18.975 -7.667 1010 2HA GLY 632 2HA GLY 632 -2.064 -19.176 -8.666 1011 H ARG 633 H ARG 633 -1.612 -16.230 -8.566 1012 HA ARG 633 HA ARG 633 -0.232 -16.248 -5.987 1013 1HB ARG 633 1HB ARG 633 0.239 -14.513 -8.419 1014 2HB ARG 633 2HB ARG 633 1.254 -14.600 -6.986 1015 1HG ARG 633 1HG ARG 633 1.763 -16.922 -7.484 1016 2HG ARG 633 2HG ARG 633 0.733 -16.841 -8.908 1017 1HD ARG 633 1HD ARG 633 2.205 -15.019 -9.762 1018 2HD ARG 633 2HD ARG 633 3.297 -15.350 -8.407 1019 HE ARG 633 HE ARG 633 2.578 -17.252 -10.521 1020 1HH1 ARG 633 1HH1 ARG 633 4.956 -16.071 -8.180 1021 2HH1 ARG 633 2HH1 ARG 633 6.032 -17.354 -8.425 1022 1HH2 ARG 633 1HH2 ARG 633 4.028 -18.927 -10.897 1023 2HH2 ARG 633 2HH2 ARG 633 5.497 -19.079 -10.056 1024 HA PRO 634 HA PRO 634 -2.878 -12.887 -4.754 1025 1HB PRO 634 1HB PRO 634 -1.314 -11.753 -2.847 1026 2HB PRO 634 2HB PRO 634 -2.184 -13.266 -2.580 1027 1HG PRO 634 1HG PRO 634 0.709 -12.824 -3.113 1028 2HG PRO 634 2HG PRO 634 -0.081 -14.075 -2.150 1029 1HD PRO 634 1HD PRO 634 0.919 -14.392 -4.719 1030 2HD PRO 634 2HD PRO 634 -0.249 -15.465 -3.928 1031 H ILE 635 H ILE 635 -3.195 -10.834 -5.257 1032 HA ILE 635 HA ILE 635 -0.914 -9.375 -6.323 1033 HB ILE 635 HB ILE 635 -2.064 -8.601 -8.256 1034 1HG1 ILE 635 1HG1 ILE 635 -4.349 -8.425 -7.505 1035 2HG1 ILE 635 2HG1 ILE 635 -4.295 -9.362 -9.002 1036 1HG2 ILE 635 1HG2 ILE 635 -2.364 -10.614 -9.614 1037 2HG2 ILE 635 2HG2 ILE 635 -2.300 -11.577 -8.136 1038 3HG2 ILE 635 3HG2 ILE 635 -0.900 -10.629 -8.631 1039 1HD1 ILE 635 1HD1 ILE 635 -4.484 -11.366 -7.641 1040 2HD1 ILE 635 2HD1 ILE 635 -5.871 -10.254 -7.463 1041 3HD1 ILE 635 3HD1 ILE 635 -4.588 -10.307 -6.229 1042 H LEU 636 H LEU 636 -2.181 -7.129 -7.123 1043 HA LEU 636 HA LEU 636 -2.798 -6.031 -4.565 1044 1HB LEU 636 1HB LEU 636 -2.478 -3.881 -5.517 1045 2HB LEU 636 2HB LEU 636 -1.172 -4.900 -6.042 1046 HG LEU 636 HG LEU 636 -1.575 -3.645 -7.910 1047 1HD1 LEU 636 1HD1 LEU 636 -1.647 -5.886 -8.676 1048 2HD1 LEU 636 2HD1 LEU 636 -2.728 -4.876 -9.643 1049 3HD1 LEU 636 3HD1 LEU 636 -3.390 -5.945 -8.406 1050 1HD2 LEU 636 1HD2 LEU 636 -3.450 -2.369 -7.116 1051 2HD2 LEU 636 2HD2 LEU 636 -4.528 -3.734 -7.387 1052 3HD2 LEU 636 3HD2 LEU 636 -3.771 -2.928 -8.761 1053 H GLY 637 H GLY 637 -4.520 -4.544 -4.295 1054 1HA GLY 637 1HA GLY 637 -6.997 -5.606 -5.367 1055 2HA GLY 637 2HA GLY 637 -6.868 -4.413 -4.097 1056 H GLU 638 H GLU 638 -6.934 -2.327 -4.608 1057 HA GLU 638 HA GLU 638 -7.392 -1.816 -7.452 1058 1HB GLU 638 1HB GLU 638 -9.313 -1.564 -5.879 1059 2HB GLU 638 2HB GLU 638 -8.442 -0.248 -5.125 1060 1HG GLU 638 1HG GLU 638 -10.092 0.610 -6.712 1061 2HG GLU 638 2HG GLU 638 -8.456 0.973 -7.270 1062 H HIS 639 H HIS 639 -6.094 -0.384 -4.474 1063 HA HIS 639 HA HIS 639 -4.318 1.114 -6.205 1064 1HB HIS 639 1HB HIS 639 -4.547 3.138 -4.762 1065 2HB HIS 639 2HB HIS 639 -5.995 2.724 -5.665 1066 HD1 HIS 639 HD1 HIS 639 -4.769 3.315 -2.225 1067 HD2 HIS 639 HD2 HIS 639 -8.093 1.625 -4.049 1068 HE1 HIS 639 HE1 HIS 639 -6.544 3.163 -0.453 1069 H THR 640 H THR 640 -2.342 0.723 -5.800 1070 HA THR 640 HA THR 640 -1.534 0.296 -3.045 1071 HB THR 640 HB THR 640 0.495 -0.830 -4.094 1072 HG1 THR 640 HG1 THR 640 -0.067 0.147 -6.207 1073 1HG2 THR 640 1HG2 THR 640 -2.203 -2.046 -4.663 1074 2HG2 THR 640 2HG2 THR 640 -1.381 -2.080 -3.110 1075 3HG2 THR 640 3HG2 THR 640 -0.686 -2.938 -4.495 1076 H LYS 641 H LYS 641 -1.235 2.406 -2.585 1077 HA LYS 641 HA LYS 641 1.057 3.796 -3.394 1078 1HB LYS 641 1HB LYS 641 -0.182 4.276 -5.448 1079 2HB LYS 641 2HB LYS 641 -1.628 4.659 -4.535 1080 1HG LYS 641 1HG LYS 641 -0.675 6.711 -5.332 1081 2HG LYS 641 2HG LYS 641 -0.438 6.634 -3.590 1082 1HD LYS 641 1HD LYS 641 1.876 5.888 -3.958 1083 2HD LYS 641 2HD LYS 641 1.638 6.048 -5.705 1084 1HE LYS 641 1HE LYS 641 1.463 8.230 -3.631 1085 2HE LYS 641 2HE LYS 641 2.767 7.992 -4.778 1086 1HZ LYS 641 1HZ LYS 641 1.300 8.548 -6.578 1087 2HZ LYS 641 2HZ LYS 641 1.147 9.768 -5.397 1088 3HZ LYS 641 3HZ LYS 641 -0.033 8.602 -5.555 1089 H LEU 642 H LEU 642 1.402 5.113 -1.703 1090 HA LEU 642 HA LEU 642 -0.892 6.235 -0.330 1091 1HB LEU 642 1HB LEU 642 -0.087 4.316 1.008 1092 2HB LEU 642 2HB LEU 642 1.511 5.050 0.985 1093 HG LEU 642 HG LEU 642 0.535 7.028 2.141 1094 1HD1 LEU 642 1HD1 LEU 642 -1.806 5.202 2.501 1095 2HD1 LEU 642 2HD1 LEU 642 -1.784 6.755 1.651 1096 3HD1 LEU 642 3HD1 LEU 642 -1.532 6.691 3.398 1097 1HD2 LEU 642 1HD2 LEU 642 1.856 5.395 3.338 1098 2HD2 LEU 642 2HD2 LEU 642 0.412 4.408 3.598 1099 3HD2 LEU 642 3HD2 LEU 642 0.523 6.038 4.295 1100 H GLU 643 H GLU 643 -0.605 8.227 -0.903 1101 HA GLU 643 HA GLU 643 2.056 9.377 -0.934 1102 1HB GLU 643 1HB GLU 643 0.298 9.663 -2.791 1103 2HB GLU 643 2HB GLU 643 -0.575 10.651 -1.641 1104 1HG GLU 643 1HG GLU 643 1.038 12.326 -1.668 1105 2HG GLU 643 2HG GLU 643 2.242 11.272 -2.416 1106 H VAL 644 H VAL 644 2.672 9.884 1.081 1107 HA VAL 644 HA VAL 644 0.690 10.742 3.024 1108 HB VAL 644 HB VAL 644 3.643 10.292 3.383 1109 1HG1 VAL 644 1HG1 VAL 644 1.393 10.374 5.387 1110 2HG1 VAL 644 2HG1 VAL 644 2.570 11.649 5.099 1111 3HG1 VAL 644 3HG1 VAL 644 3.099 10.108 5.757 1112 1HG2 VAL 644 1HG2 VAL 644 2.502 8.285 2.521 1113 2HG2 VAL 644 2HG2 VAL 644 1.425 8.311 3.921 1114 3HG2 VAL 644 3HG2 VAL 644 3.156 8.051 4.127 1115 H ILE 645 H ILE 645 0.279 12.852 2.853 1116 HA ILE 645 HA ILE 645 2.460 14.628 2.175 1117 HB ILE 645 HB ILE 645 -0.483 15.290 2.608 1118 1HG1 ILE 645 1HG1 ILE 645 -0.323 15.888 0.079 1119 2HG1 ILE 645 2HG1 ILE 645 1.158 14.958 0.086 1120 1HG2 ILE 645 1HG2 ILE 645 0.057 17.497 1.704 1121 2HG2 ILE 645 2HG2 ILE 645 1.769 17.061 1.694 1122 3HG2 ILE 645 3HG2 ILE 645 0.892 17.169 3.223 1123 1HD1 ILE 645 1HD1 ILE 645 -1.582 13.901 0.768 1124 2HD1 ILE 645 2HD1 ILE 645 -0.103 12.958 0.748 1125 3HD1 ILE 645 3HD1 ILE 645 -0.735 13.631 -0.744 1126 H ILE 646 H ILE 646 3.521 15.769 3.654 1127 HA ILE 646 HA ILE 646 2.612 15.477 6.425 1128 HB ILE 646 HB ILE 646 5.412 16.346 5.665 1129 1HG1 ILE 646 1HG1 ILE 646 5.965 13.762 6.177 1130 2HG1 ILE 646 2HG1 ILE 646 4.307 13.567 5.664 1131 1HG2 ILE 646 1HG2 ILE 646 4.334 14.928 8.106 1132 2HG2 ILE 646 2HG2 ILE 646 4.711 16.641 8.009 1133 3HG2 ILE 646 3HG2 ILE 646 6.001 15.443 7.873 1134 1HD1 ILE 646 1HD1 ILE 646 6.442 14.863 3.994 1135 2HD1 ILE 646 2HD1 ILE 646 4.781 14.518 3.507 1136 3HD1 ILE 646 3HD1 ILE 646 5.892 13.195 3.851 1137 H GLU 647 H GLU 647 2.350 17.269 7.666 1138 HA GLU 647 HA GLU 647 3.263 19.798 6.821 1139 1HB GLU 647 1HB GLU 647 0.869 20.759 6.819 1140 2HB GLU 647 2HB GLU 647 1.425 19.914 5.387 1141 1HG GLU 647 1HG GLU 647 0.213 17.909 6.141 1142 2HG GLU 647 2HG GLU 647 -0.470 18.791 7.489 1143 H GLU 648 H GLU 648 3.465 21.218 8.459 1144 HA GLU 648 HA GLU 648 3.635 20.616 11.049 1145 1HB GLU 648 1HB GLU 648 3.014 23.218 9.669 1146 2HB GLU 648 2HB GLU 648 2.957 23.167 11.415 1147 1HG GLU 648 1HG GLU 648 5.095 24.060 10.572 1148 2HG GLU 648 2HG GLU 648 5.325 22.602 11.516 1149 H SER 649 H SER 649 2.444 20.552 12.817 1150 HA SER 649 HA SER 649 0.213 19.181 12.896 1151 1HB SER 649 1HB SER 649 1.588 19.594 14.842 1152 2HB SER 649 2HB SER 649 1.002 21.252 14.940 1153 HG SER 649 HG SER 649 0.005 19.142 16.087 1154 H TYR 650 H TYR 650 -1.465 19.461 11.804 1155 HA TYR 650 HA TYR 650 -3.171 21.782 12.253 1156 1HB TYR 650 1HB TYR 650 -2.716 21.922 9.962 1157 2HB TYR 650 2HB TYR 650 -2.504 20.195 9.787 1158 HD1 TYR 650 HD1 TYR 650 -5.083 22.874 10.094 1159 HD2 TYR 650 HD2 TYR 650 -4.254 18.836 9.040 1160 HE1 TYR 650 HE1 TYR 650 -7.326 22.664 9.075 1161 HE2 TYR 650 HE2 TYR 650 -6.454 18.604 8.059 1162 HH TYR 650 HH TYR 650 -8.607 19.619 8.122 1163 H GLU 651 H GLU 651 -3.307 18.392 11.186 1164 HA GLU 651 HA GLU 651 -4.845 17.400 13.278 1165 1HB GLU 651 1HB GLU 651 -6.595 18.905 12.214 1166 2HB GLU 651 2HB GLU 651 -6.369 18.032 10.712 1167 1HG GLU 651 1HG GLU 651 -8.408 17.364 11.904 1168 2HG GLU 651 2HG GLU 651 -7.282 16.025 11.697 1169 H PHE 652 H PHE 652 -5.618 15.195 12.493 1170 HA PHE 652 HA PHE 652 -3.620 14.147 10.588 1171 1HB PHE 652 1HB PHE 652 -3.646 13.244 12.953 1172 2HB PHE 652 2HB PHE 652 -5.234 12.570 12.596 1173 HD1 PHE 652 HD1 PHE 652 -1.667 12.412 11.838 1174 HD2 PHE 652 HD2 PHE 652 -5.461 10.608 11.218 1175 HE1 PHE 652 HE1 PHE 652 -0.569 10.448 10.906 1176 HE2 PHE 652 HE2 PHE 652 -4.358 8.619 10.275 1177 HZ PHE 652 HZ PHE 652 -1.911 8.535 10.116 1178 H LYS 653 H LYS 653 -4.319 13.363 8.706 1179 HA LYS 653 HA LYS 653 -7.225 13.175 8.375 1180 1HB LYS 653 1HB LYS 653 -5.156 13.703 6.261 1181 2HB LYS 653 2HB LYS 653 -6.874 13.631 6.016 1182 1HG LYS 653 1HG LYS 653 -5.513 15.691 7.747 1183 2HG LYS 653 2HG LYS 653 -6.005 15.949 6.075 1184 1HD LYS 653 1HD LYS 653 -7.858 15.249 8.360 1185 2HD LYS 653 2HD LYS 653 -7.616 16.863 7.696 1186 1HE LYS 653 1HE LYS 653 -8.440 16.076 5.512 1187 2HE LYS 653 2HE LYS 653 -8.711 14.478 6.200 1188 1HZ LYS 653 1HZ LYS 653 -10.009 16.966 7.126 1189 2HZ LYS 653 2HZ LYS 653 -10.330 15.414 7.699 1190 3HZ LYS 653 3HZ LYS 653 -10.713 15.835 6.105 1191 H SER 654 H SER 654 -7.414 11.016 8.904 1192 HA SER 654 HA SER 654 -6.192 9.144 7.032 1193 1HB SER 654 1HB SER 654 -6.201 8.544 9.498 1194 2HB SER 654 2HB SER 654 -7.957 8.629 9.465 1195 HG SER 654 HG SER 654 -6.696 6.966 7.592 1196 H THR 655 H THR 655 -7.369 8.869 5.266 1197 HA THR 655 HA THR 655 -10.194 9.566 5.489 1198 HB THR 655 HB THR 655 -9.034 11.103 4.008 1199 HG1 THR 655 HG1 THR 655 -10.482 9.426 2.272 1200 1HG2 THR 655 1HG2 THR 655 -8.301 8.684 2.343 1201 2HG2 THR 655 2HG2 THR 655 -7.178 9.679 3.272 1202 3HG2 THR 655 3HG2 THR 655 -8.024 10.367 1.885 1203 H VAL 656 H VAL 656 -11.694 8.132 5.034 1204 HA VAL 656 HA VAL 656 -10.823 5.490 4.318 1205 HB VAL 656 HB VAL 656 -12.524 5.689 6.076 1206 1HG1 VAL 656 1HG1 VAL 656 -13.599 7.746 5.425 1207 2HG1 VAL 656 2HG1 VAL 656 -14.797 6.467 5.622 1208 3HG1 VAL 656 3HG1 VAL 656 -14.284 6.957 4.005 1209 1HG2 VAL 656 1HG2 VAL 656 -14.228 4.153 5.213 1210 2HG2 VAL 656 2HG2 VAL 656 -12.594 3.687 4.734 1211 3HG2 VAL 656 3HG2 VAL 656 -13.663 4.470 3.571 1212 H ASP 657 H ASP 657 -11.046 4.574 2.389 1213 HA ASP 657 HA ASP 657 -12.214 6.278 0.265 1214 1HB ASP 657 1HB ASP 657 -9.760 6.154 0.067 1215 2HB ASP 657 2HB ASP 657 -9.855 4.398 -0.016 Start of MODEL 8 1 1H HIS 501 1H HIS 501 -6.805 -17.305 -0.177 2 HA HIS 501 HA HIS 501 -6.652 -19.367 -1.685 3 1HB HIS 501 1HB HIS 501 -6.859 -18.843 -4.086 4 2HB HIS 501 2HB HIS 501 -8.375 -18.492 -3.274 5 HD1 HIS 501 HD1 HIS 501 -6.034 -17.044 -5.634 6 HD2 HIS 501 HD2 HIS 501 -8.623 -15.568 -2.750 7 HE1 HIS 501 HE1 HIS 501 -6.354 -14.602 -6.166 8 H ALA 502 H ALA 502 -5.847 -16.061 -1.647 9 HA ALA 502 HA ALA 502 -3.039 -16.462 -1.422 10 1HB ALA 502 1HB ALA 502 -2.423 -15.157 -3.442 11 2HB ALA 502 2HB ALA 502 -4.118 -15.148 -3.935 12 3HB ALA 502 3HB ALA 502 -3.230 -16.667 -3.865 13 H GLY 503 H GLY 503 -5.545 -14.179 -2.447 14 1HA GLY 503 1HA GLY 503 -6.449 -12.662 -0.835 15 2HA GLY 503 2HA GLY 503 -4.844 -12.542 -0.113 16 H ILE 504 H ILE 504 -6.753 -10.603 -1.112 17 HA ILE 504 HA ILE 504 -5.173 -9.263 -3.161 18 HB ILE 504 HB ILE 504 -8.076 -9.259 -2.401 19 1HG1 ILE 504 1HG1 ILE 504 -8.454 -9.260 -4.817 20 2HG1 ILE 504 2HG1 ILE 504 -6.737 -9.077 -5.104 21 1HG2 ILE 504 1HG2 ILE 504 -7.569 -6.928 -2.146 22 2HG2 ILE 504 2HG2 ILE 504 -8.526 -7.173 -3.608 23 3HG2 ILE 504 3HG2 ILE 504 -6.787 -6.895 -3.725 24 1HD1 ILE 504 1HD1 ILE 504 -6.364 -11.301 -4.135 25 2HD1 ILE 504 2HD1 ILE 504 -7.453 -11.351 -5.514 26 3HD1 ILE 504 3HD1 ILE 504 -8.096 -11.486 -3.880 27 H PHE 505 H PHE 505 -4.123 -7.473 -2.599 28 HA PHE 505 HA PHE 505 -4.573 -6.455 0.117 29 1HB PHE 505 1HB PHE 505 -1.991 -6.584 -1.443 30 2HB PHE 505 2HB PHE 505 -2.180 -5.818 0.132 31 HD1 PHE 505 HD1 PHE 505 -2.706 -7.176 2.100 32 HD2 PHE 505 HD2 PHE 505 -1.812 -8.942 -1.658 33 HE1 PHE 505 HE1 PHE 505 -2.312 -9.321 3.205 34 HE2 PHE 505 HE2 PHE 505 -1.417 -11.101 -0.544 35 HZ PHE 505 HZ PHE 505 -1.670 -11.288 1.884 36 H THR 506 H THR 506 -5.293 -4.505 0.233 37 HA THR 506 HA THR 506 -4.498 -2.529 -1.755 38 HB THR 506 HB THR 506 -6.726 -3.399 -2.470 39 HG1 THR 506 HG1 THR 506 -7.191 -0.815 -1.408 40 1HG2 THR 506 1HG2 THR 506 -8.730 -2.977 -1.077 41 2HG2 THR 506 2HG2 THR 506 -7.687 -2.408 0.222 42 3HG2 THR 506 3HG2 THR 506 -7.609 -4.093 -0.291 43 H PHE 507 H PHE 507 -4.714 -0.360 -0.897 44 HA PHE 507 HA PHE 507 -4.440 -0.291 1.984 45 1HB PHE 507 1HB PHE 507 -4.197 1.796 -0.176 46 2HB PHE 507 2HB PHE 507 -4.218 2.226 1.528 47 HD1 PHE 507 HD1 PHE 507 -2.400 0.212 -0.983 48 HD2 PHE 507 HD2 PHE 507 -2.293 2.134 2.793 49 HE1 PHE 507 HE1 PHE 507 0.035 -0.166 -0.866 50 HE2 PHE 507 HE2 PHE 507 0.114 1.761 2.935 51 HZ PHE 507 HZ PHE 507 1.288 0.596 1.091 52 H GLU 508 H GLU 508 -5.789 0.906 3.329 53 HA GLU 508 HA GLU 508 -8.505 0.900 2.552 54 1HB GLU 508 1HB GLU 508 -7.377 0.461 4.856 55 2HB GLU 508 2HB GLU 508 -7.400 2.209 5.026 56 1HG GLU 508 1HG GLU 508 -9.874 0.679 4.400 57 2HG GLU 508 2HG GLU 508 -9.271 0.771 6.047 58 H GLU 509 H GLU 509 -5.963 3.267 2.620 59 HA GLU 509 HA GLU 509 -7.759 5.136 1.321 60 1HB GLU 509 1HB GLU 509 -6.889 7.019 2.661 61 2HB GLU 509 2HB GLU 509 -7.713 5.845 3.672 62 1HG GLU 509 1HG GLU 509 -5.395 4.905 4.169 63 2HG GLU 509 2HG GLU 509 -4.776 6.382 3.432 64 HA PRO 510 HA PRO 510 -4.042 5.284 -1.190 65 1HB PRO 510 1HB PRO 510 -4.871 6.941 -3.113 66 2HB PRO 510 2HB PRO 510 -5.503 5.304 -2.980 67 1HG PRO 510 1HG PRO 510 -6.798 7.881 -2.217 68 2HG PRO 510 2HG PRO 510 -7.527 6.397 -2.853 69 1HD PRO 510 1HD PRO 510 -7.494 7.196 -0.160 70 2HD PRO 510 2HD PRO 510 -7.876 5.574 -0.767 71 H VAL 511 H VAL 511 -5.429 7.891 0.441 72 HA VAL 511 HA VAL 511 -2.937 9.404 0.364 73 HB VAL 511 HB VAL 511 -5.703 10.643 -0.074 74 1HG1 VAL 511 1HG1 VAL 511 -3.055 11.971 0.308 75 2HG1 VAL 511 2HG1 VAL 511 -4.403 11.981 1.439 76 3HG1 VAL 511 3HG1 VAL 511 -4.559 12.788 -0.128 77 1HG2 VAL 511 1HG2 VAL 511 -3.274 10.776 -1.845 78 2HG2 VAL 511 2HG2 VAL 511 -4.864 11.464 -2.176 79 3HG2 VAL 511 3HG2 VAL 511 -4.652 9.709 -2.123 80 H THR 512 H THR 512 -2.398 10.077 2.300 81 HA THR 512 HA THR 512 -4.466 10.139 4.299 82 HB THR 512 HB THR 512 -3.175 7.929 4.405 83 HG1 THR 512 HG1 THR 512 -4.232 8.531 6.115 84 1HG2 THR 512 1HG2 THR 512 -0.955 8.732 3.891 85 2HG2 THR 512 2HG2 THR 512 -0.952 7.992 5.507 86 3HG2 THR 512 3HG2 THR 512 -0.957 9.745 5.333 87 H HIS 513 H HIS 513 -4.260 11.875 5.665 88 HA HIS 513 HA HIS 513 -1.921 13.585 5.229 89 1HB HIS 513 1HB HIS 513 -4.743 14.333 6.052 90 2HB HIS 513 2HB HIS 513 -3.387 15.437 6.173 91 HD1 HIS 513 HD1 HIS 513 -3.119 16.929 4.213 92 HD2 HIS 513 HD2 HIS 513 -5.076 13.394 3.231 93 HE1 HIS 513 HE1 HIS 513 -3.731 17.110 1.757 94 H VAL 514 H VAL 514 -0.552 13.597 6.781 95 HA VAL 514 HA VAL 514 -1.440 12.880 9.525 96 HB VAL 514 HB VAL 514 0.560 11.628 9.874 97 1HG1 VAL 514 1HG1 VAL 514 -1.214 10.339 8.829 98 2HG1 VAL 514 2HG1 VAL 514 0.369 9.766 8.286 99 3HG1 VAL 514 3HG1 VAL 514 -0.600 10.779 7.232 100 1HG2 VAL 514 1HG2 VAL 514 2.268 11.259 8.117 101 2HG2 VAL 514 2HG2 VAL 514 2.134 12.950 8.593 102 3HG2 VAL 514 3HG2 VAL 514 1.407 12.402 7.083 103 H SER 515 H SER 515 -0.061 13.528 11.173 104 HA SER 515 HA SER 515 0.575 16.279 10.856 105 1HB SER 515 1HB SER 515 0.762 14.273 13.068 106 2HB SER 515 2HB SER 515 1.022 16.012 13.237 107 HG SER 515 HG SER 515 -1.320 15.312 11.999 108 H GLU 516 H GLU 516 2.738 17.041 10.971 109 HA GLU 516 HA GLU 516 4.729 15.043 10.441 110 1HB GLU 516 1HB GLU 516 4.723 17.303 9.354 111 2HB GLU 516 2HB GLU 516 5.204 17.966 10.906 112 1HG GLU 516 1HG GLU 516 7.218 16.664 10.914 113 2HG GLU 516 2HG GLU 516 6.753 15.885 9.402 114 H SER 517 H SER 517 3.554 16.663 13.157 115 HA SER 517 HA SER 517 5.962 16.327 14.728 116 1HB SER 517 1HB SER 517 3.243 17.418 15.454 117 2HB SER 517 2HB SER 517 4.740 17.630 16.372 118 HG SER 517 HG SER 517 5.580 18.553 14.408 119 H ILE 518 H ILE 518 4.596 14.014 13.699 120 HA ILE 518 HA ILE 518 3.530 12.759 16.121 121 HB ILE 518 HB ILE 518 2.038 13.031 14.060 122 1HG1 ILE 518 1HG1 ILE 518 2.510 10.214 15.006 123 2HG1 ILE 518 2HG1 ILE 518 1.594 11.436 15.897 124 1HG2 ILE 518 1HG2 ILE 518 3.619 12.518 12.333 125 2HG2 ILE 518 2HG2 ILE 518 2.306 11.343 12.288 126 3HG2 ILE 518 3HG2 ILE 518 3.871 10.894 12.981 127 1HD1 ILE 518 1HD1 ILE 518 0.963 10.223 13.246 128 2HD1 ILE 518 2HD1 ILE 518 0.220 11.678 13.860 129 3HD1 ILE 518 3HD1 ILE 518 0.002 10.143 14.750 130 H GLY 519 H GLY 519 4.386 10.668 16.542 131 1HA GLY 519 1HA GLY 519 7.070 10.296 15.580 132 2HA GLY 519 2HA GLY 519 6.216 9.312 16.768 133 H ILE 520 H ILE 520 4.230 8.221 15.718 134 HA ILE 520 HA ILE 520 5.175 6.874 13.282 135 HB ILE 520 HB ILE 520 3.812 5.713 15.721 136 1HG1 ILE 520 1HG1 ILE 520 6.247 5.968 15.933 137 2HG1 ILE 520 2HG1 ILE 520 5.774 4.275 15.913 138 1HG2 ILE 520 1HG2 ILE 520 4.370 4.306 13.115 139 2HG2 ILE 520 2HG2 ILE 520 2.788 4.712 13.775 140 3HG2 ILE 520 3HG2 ILE 520 3.807 3.530 14.598 141 1HD1 ILE 520 1HD1 ILE 520 6.439 4.155 13.541 142 2HD1 ILE 520 2HD1 ILE 520 7.775 4.597 14.607 143 3HD1 ILE 520 3HD1 ILE 520 6.980 5.830 13.630 144 H MET 521 H MET 521 3.766 6.829 11.674 145 HA MET 521 HA MET 521 0.929 7.169 12.320 146 1HB MET 521 1HB MET 521 0.536 8.198 10.123 147 2HB MET 521 2HB MET 521 1.774 9.108 10.962 148 1HG MET 521 1HG MET 521 2.511 9.041 8.760 149 2HG MET 521 2HG MET 521 3.422 7.740 9.513 150 1HE MET 521 1HE MET 521 3.946 7.058 6.896 151 2HE MET 521 2HE MET 521 2.818 8.224 6.238 152 3HE MET 521 3HE MET 521 2.698 6.548 5.779 153 H GLU 522 H GLU 522 -0.504 5.742 11.447 154 HA GLU 522 HA GLU 522 0.703 3.466 10.068 155 1HB GLU 522 1HB GLU 522 -1.151 3.481 12.411 156 2HB GLU 522 2HB GLU 522 -1.039 2.095 11.348 157 1HG GLU 522 1HG GLU 522 1.276 1.836 11.869 158 2HG GLU 522 2HG GLU 522 1.260 3.298 12.877 159 H VAL 523 H VAL 523 -0.522 2.428 8.605 160 HA VAL 523 HA VAL 523 -3.148 3.559 7.904 161 HB VAL 523 HB VAL 523 -1.021 2.748 5.915 162 1HG1 VAL 523 1HG1 VAL 523 -3.610 4.226 5.484 163 2HG1 VAL 523 2HG1 VAL 523 -3.283 2.540 5.076 164 3HG1 VAL 523 3HG1 VAL 523 -2.406 3.827 4.253 165 1HG2 VAL 523 1HG2 VAL 523 -1.696 5.477 6.968 166 2HG2 VAL 523 2HG2 VAL 523 -0.905 5.202 5.427 167 3HG2 VAL 523 3HG2 VAL 523 -0.128 4.637 6.918 168 H LYS 524 H LYS 524 -4.597 2.021 7.234 169 HA LYS 524 HA LYS 524 -3.916 -0.709 7.826 170 1HB LYS 524 1HB LYS 524 -6.495 0.718 7.286 171 2HB LYS 524 2HB LYS 524 -6.416 -1.034 7.403 172 1HG LYS 524 1HG LYS 524 -5.368 0.746 9.573 173 2HG LYS 524 2HG LYS 524 -7.063 0.232 9.518 174 1HD LYS 524 1HD LYS 524 -6.401 -2.074 9.600 175 2HD LYS 524 2HD LYS 524 -4.698 -1.649 9.485 176 1HE LYS 524 1HE LYS 524 -5.399 -2.298 11.706 177 2HE LYS 524 2HE LYS 524 -4.779 -0.643 11.676 178 1HZ LYS 524 1HZ LYS 524 -6.725 -0.779 13.038 179 2HZ LYS 524 2HZ LYS 524 -7.626 -1.500 11.817 180 3HZ LYS 524 3HZ LYS 524 -7.143 0.100 11.663 181 H VAL 525 H VAL 525 -3.681 -2.275 6.529 182 HA VAL 525 HA VAL 525 -4.130 -1.957 3.611 183 HB VAL 525 HB VAL 525 -2.442 -4.068 4.918 184 1HG1 VAL 525 1HG1 VAL 525 -3.042 -4.480 2.612 185 2HG1 VAL 525 2HG1 VAL 525 -1.312 -4.171 2.742 186 3HG1 VAL 525 3HG1 VAL 525 -2.388 -2.912 2.136 187 1HG2 VAL 525 1HG2 VAL 525 -1.584 -1.989 5.682 188 2HG2 VAL 525 2HG2 VAL 525 -1.490 -1.368 4.028 189 3HG2 VAL 525 3HG2 VAL 525 -0.456 -2.715 4.537 190 H LEU 526 H LEU 526 -5.671 -3.260 2.829 191 HA LEU 526 HA LEU 526 -6.928 -5.073 4.708 192 1HB LEU 526 1HB LEU 526 -7.871 -4.179 1.985 193 2HB LEU 526 2HB LEU 526 -8.762 -5.194 3.091 194 HG LEU 526 HG LEU 526 -9.735 -3.047 3.190 195 1HD1 LEU 526 1HD1 LEU 526 -9.554 -4.058 5.360 196 2HD1 LEU 526 2HD1 LEU 526 -9.402 -2.298 5.461 197 3HD1 LEU 526 3HD1 LEU 526 -7.970 -3.309 5.591 198 1HD2 LEU 526 1HD2 LEU 526 -8.514 -1.015 3.683 199 2HD2 LEU 526 2HD2 LEU 526 -8.003 -1.757 2.170 200 3HD2 LEU 526 3HD2 LEU 526 -7.001 -1.913 3.614 201 H ARG 527 H ARG 527 -7.115 -7.163 4.414 202 HA ARG 527 HA ARG 527 -5.861 -8.381 2.069 203 1HB ARG 527 1HB ARG 527 -4.612 -8.936 4.117 204 2HB ARG 527 2HB ARG 527 -6.092 -9.379 4.935 205 1HG ARG 527 1HG ARG 527 -6.275 -11.406 3.706 206 2HG ARG 527 2HG ARG 527 -5.053 -10.883 2.537 207 1HD ARG 527 1HD ARG 527 -3.329 -10.945 4.231 208 2HD ARG 527 2HD ARG 527 -4.507 -11.277 5.482 209 HE ARG 527 HE ARG 527 -4.034 -13.420 5.130 210 1HH1 ARG 527 1HH1 ARG 527 -3.959 -12.032 1.853 211 2HH1 ARG 527 2HH1 ARG 527 -3.350 -13.436 1.117 212 1HH2 ARG 527 1HH2 ARG 527 -3.096 -15.305 4.118 213 2HH2 ARG 527 2HH2 ARG 527 -2.856 -15.362 2.445 214 H THR 528 H THR 528 -7.606 -8.433 0.847 215 HA THR 528 HA THR 528 -10.033 -9.619 1.934 216 HB THR 528 HB THR 528 -11.022 -8.111 0.010 217 HG1 THR 528 HG1 THR 528 -9.857 -6.383 -0.461 218 1HG2 THR 528 1HG2 THR 528 -10.134 -7.035 2.696 219 2HG2 THR 528 2HG2 THR 528 -11.622 -7.932 2.357 220 3HG2 THR 528 3HG2 THR 528 -11.386 -6.328 1.668 221 H SER 529 H SER 529 -11.444 -9.732 -0.401 222 HA SER 529 HA SER 529 -12.085 -11.448 -1.690 223 1HB SER 529 1HB SER 529 -9.615 -10.469 -3.083 224 2HB SER 529 2HB SER 529 -10.906 -11.375 -3.863 225 HG SER 529 HG SER 529 -12.205 -9.503 -2.810 226 H GLY 530 H GLY 530 -10.254 -12.456 0.426 227 1HA GLY 530 1HA GLY 530 -10.118 -14.957 0.388 228 2HA GLY 530 2HA GLY 530 -9.037 -14.707 -0.977 229 H ALA 531 H ALA 531 -8.532 -15.934 1.565 230 HA ALA 531 HA ALA 531 -6.229 -14.306 2.291 231 1HB ALA 531 1HB ALA 531 -7.952 -15.927 4.176 232 2HB ALA 531 2HB ALA 531 -7.857 -14.167 4.124 233 3HB ALA 531 3HB ALA 531 -6.456 -15.116 4.629 234 H ARG 532 H ARG 532 -6.188 -17.070 4.110 235 HA ARG 532 HA ARG 532 -5.110 -19.008 4.073 236 1HB ARG 532 1HB ARG 532 -5.718 -18.788 1.190 237 2HB ARG 532 2HB ARG 532 -5.002 -20.266 1.877 238 1HG ARG 532 1HG ARG 532 -7.670 -19.024 2.563 239 2HG ARG 532 2HG ARG 532 -7.442 -20.428 1.523 240 1HD ARG 532 1HD ARG 532 -6.586 -21.710 3.351 241 2HD ARG 532 2HD ARG 532 -6.581 -20.306 4.414 242 HE ARG 532 HE ARG 532 -9.152 -20.633 3.469 243 1HH1 ARG 532 1HH1 ARG 532 -6.899 -22.560 5.403 244 2HH1 ARG 532 2HH1 ARG 532 -8.106 -23.132 6.461 245 1HH2 ARG 532 1HH2 ARG 532 -10.777 -21.411 4.910 246 2HH2 ARG 532 2HH2 ARG 532 -10.347 -22.477 6.172 247 H GLY 533 H GLY 533 -3.114 -19.422 4.434 248 1HA GLY 533 1HA GLY 533 -0.884 -19.799 3.910 249 2HA GLY 533 2HA GLY 533 -1.098 -18.880 2.435 250 H ASN 534 H ASN 534 1.084 -18.646 4.058 251 HA ASN 534 HA ASN 534 0.841 -16.136 5.504 252 1HB ASN 534 1HB ASN 534 2.237 -17.932 6.445 253 2HB ASN 534 2HB ASN 534 3.193 -17.975 4.974 254 1HD2 ASN 534 1HD2 ASN 534 2.164 -14.939 6.547 255 2HD2 ASN 534 2HD2 ASN 534 3.721 -14.520 7.090 256 H VAL 535 H VAL 535 1.187 -14.287 4.491 257 HA VAL 535 HA VAL 535 2.658 -14.377 1.981 258 HB VAL 535 HB VAL 535 0.152 -12.746 2.516 259 1HG1 VAL 535 1HG1 VAL 535 0.397 -12.013 0.194 260 2HG1 VAL 535 2HG1 VAL 535 1.865 -12.970 0.061 261 3HG1 VAL 535 3HG1 VAL 535 1.832 -11.560 1.132 262 1HG2 VAL 535 1HG2 VAL 535 0.708 -14.987 0.619 263 2HG2 VAL 535 2HG2 VAL 535 -0.797 -14.065 0.678 264 3HG2 VAL 535 3HG2 VAL 535 -0.327 -15.096 2.046 265 H ILE 536 H ILE 536 4.262 -13.084 1.958 266 HA ILE 536 HA ILE 536 4.405 -10.984 3.981 267 HB ILE 536 HB ILE 536 6.596 -12.256 2.309 268 1HG1 ILE 536 1HG1 ILE 536 5.861 -13.712 4.094 269 2HG1 ILE 536 2HG1 ILE 536 7.438 -13.049 4.506 270 1HG2 ILE 536 1HG2 ILE 536 6.798 -10.120 4.400 271 2HG2 ILE 536 2HG2 ILE 536 7.055 -9.890 2.667 272 3HG2 ILE 536 3HG2 ILE 536 8.167 -10.894 3.602 273 1HD1 ILE 536 1HD1 ILE 536 6.332 -11.401 5.956 274 2HD1 ILE 536 2HD1 ILE 536 5.993 -13.066 6.453 275 3HD1 ILE 536 3HD1 ILE 536 4.782 -12.134 5.565 276 H VAL 537 H VAL 537 4.191 -8.990 3.417 277 HA VAL 537 HA VAL 537 4.176 -8.441 0.545 278 HB VAL 537 HB VAL 537 2.608 -6.933 2.654 279 1HG1 VAL 537 1HG1 VAL 537 3.137 -5.557 0.733 280 2HG1 VAL 537 2HG1 VAL 537 1.416 -5.938 0.757 281 3HG1 VAL 537 3HG1 VAL 537 2.493 -6.786 -0.355 282 1HG2 VAL 537 1HG2 VAL 537 1.684 -9.041 0.703 283 2HG2 VAL 537 2HG2 VAL 537 0.617 -8.039 1.685 284 3HG2 VAL 537 3HG2 VAL 537 1.730 -9.168 2.457 285 HA PRO 538 HA PRO 538 7.586 -5.772 1.872 286 1HB PRO 538 1HB PRO 538 8.602 -5.354 -0.589 287 2HB PRO 538 2HB PRO 538 8.876 -6.863 0.293 288 1HG PRO 538 1HG PRO 538 6.916 -6.277 -1.886 289 2HG PRO 538 2HG PRO 538 7.936 -7.708 -1.654 290 1HD PRO 538 1HD PRO 538 5.309 -7.616 -0.979 291 2HD PRO 538 2HD PRO 538 6.489 -8.649 -0.148 292 H TYR 539 H TYR 539 7.842 -3.586 1.834 293 HA TYR 539 HA TYR 539 6.316 -1.981 -0.024 294 1HB TYR 539 1HB TYR 539 5.207 -0.703 1.734 295 2HB TYR 539 2HB TYR 539 4.770 -2.397 1.879 296 HD1 TYR 539 HD1 TYR 539 5.412 -3.689 3.814 297 HD2 TYR 539 HD2 TYR 539 6.695 0.335 3.398 298 HE1 TYR 539 HE1 TYR 539 6.134 -3.674 6.162 299 HE2 TYR 539 HE2 TYR 539 7.414 0.362 5.724 300 HH TYR 539 HH TYR 539 7.261 -0.715 7.673 301 H LYS 540 H LYS 540 7.059 0.236 0.038 302 HA LYS 540 HA LYS 540 9.223 0.873 1.742 303 1HB LYS 540 1HB LYS 540 10.820 1.404 -0.156 304 2HB LYS 540 2HB LYS 540 10.605 -0.293 0.216 305 1HG LYS 540 1HG LYS 540 10.698 -0.156 -2.125 306 2HG LYS 540 2HG LYS 540 8.989 -0.353 -1.746 307 1HD LYS 540 1HD LYS 540 8.662 2.056 -2.032 308 2HD LYS 540 2HD LYS 540 10.375 2.248 -2.408 309 1HE LYS 540 1HE LYS 540 8.350 0.660 -3.987 310 2HE LYS 540 2HE LYS 540 9.055 2.203 -4.438 311 1HZ LYS 540 1HZ LYS 540 10.102 0.375 -5.590 312 2HZ LYS 540 2HZ LYS 540 10.561 -0.361 -4.169 313 3HZ LYS 540 3HZ LYS 540 11.219 1.142 -4.609 314 H THR 541 H THR 541 9.824 3.047 1.743 315 HA THR 541 HA THR 541 7.673 4.781 1.002 316 HB THR 541 HB THR 541 9.333 6.402 2.271 317 HG1 THR 541 HG1 THR 541 11.132 4.874 2.414 318 1HG2 THR 541 1HG2 THR 541 7.156 5.669 3.162 319 2HG2 THR 541 2HG2 THR 541 8.407 5.654 4.418 320 3HG2 THR 541 3HG2 THR 541 7.903 4.150 3.669 321 H ILE 542 H ILE 542 7.676 5.843 -0.884 322 HA ILE 542 HA ILE 542 10.140 6.264 -2.348 323 HB ILE 542 HB ILE 542 7.290 7.070 -3.056 324 1HG1 ILE 542 1HG1 ILE 542 7.660 5.380 -4.980 325 2HG1 ILE 542 2HG1 ILE 542 9.007 4.785 -4.027 326 1HG2 ILE 542 1HG2 ILE 542 8.090 7.625 -5.304 327 2HG2 ILE 542 2HG2 ILE 542 9.742 7.308 -4.789 328 3HG2 ILE 542 3HG2 ILE 542 8.836 8.637 -4.065 329 1HD1 ILE 542 1HD1 ILE 542 7.029 3.423 -3.712 330 2HD1 ILE 542 2HD1 ILE 542 6.123 4.847 -3.190 331 3HD1 ILE 542 3HD1 ILE 542 7.460 4.245 -2.208 332 H GLU 543 H GLU 543 11.270 8.040 -2.231 333 HA GLU 543 HA GLU 543 10.964 9.894 -0.209 334 1HB GLU 543 1HB GLU 543 12.624 10.072 -2.713 335 2HB GLU 543 2HB GLU 543 12.798 11.138 -1.323 336 1HG GLU 543 1HG GLU 543 13.439 9.317 0.083 337 2HG GLU 543 2HG GLU 543 13.063 8.152 -1.184 338 H GLY 544 H GLY 544 10.481 10.515 -3.690 339 1HA GLY 544 1HA GLY 544 9.003 11.920 -4.725 340 2HA GLY 544 2HA GLY 544 8.220 12.186 -3.171 341 H THR 545 H THR 545 8.907 13.852 -1.873 342 HA THR 545 HA THR 545 10.830 15.734 -3.061 343 HB THR 545 HB THR 545 8.546 16.644 -3.361 344 HG1 THR 545 HG1 THR 545 9.853 18.308 -3.058 345 1HG2 THR 545 1HG2 THR 545 7.416 15.505 -1.516 346 2HG2 THR 545 2HG2 THR 545 7.151 17.246 -1.422 347 3HG2 THR 545 3HG2 THR 545 8.319 16.472 -0.351 348 H ALA 546 H ALA 546 10.305 13.654 -0.642 349 HA ALA 546 HA ALA 546 11.435 15.287 1.483 350 1HB ALA 546 1HB ALA 546 10.949 13.344 2.901 351 2HB ALA 546 2HB ALA 546 10.382 12.461 1.477 352 3HB ALA 546 3HB ALA 546 9.516 13.889 2.031 353 H ARG 547 H ARG 547 13.078 13.863 2.843 354 HA ARG 547 HA ARG 547 15.145 13.059 0.942 355 1HB ARG 547 1HB ARG 547 15.370 14.219 3.712 356 2HB ARG 547 2HB ARG 547 16.691 13.307 3.013 357 1HG ARG 547 1HG ARG 547 17.085 15.625 2.682 358 2HG ARG 547 2HG ARG 547 16.736 14.888 1.121 359 1HD ARG 547 1HD ARG 547 14.329 15.605 1.589 360 2HD ARG 547 2HD ARG 547 15.040 16.699 2.784 361 HE ARG 547 HE ARG 547 16.416 16.945 0.377 362 1HH1 ARG 547 1HH1 ARG 547 13.396 18.027 1.906 363 2HH1 ARG 547 2HH1 ARG 547 12.961 19.025 0.613 364 1HH2 ARG 547 1HH2 ARG 547 15.828 18.351 -1.340 365 2HH2 ARG 547 2HH2 ARG 547 14.387 19.260 -1.265 366 H GLY 548 H GLY 548 16.760 11.579 2.025 367 1HA GLY 548 1HA GLY 548 15.545 9.052 2.027 368 2HA GLY 548 2HA GLY 548 17.222 9.377 2.401 369 H GLY 549 H GLY 549 16.636 7.432 3.644 370 1HA GLY 549 1HA GLY 549 14.914 7.359 5.827 371 2HA GLY 549 2HA GLY 549 16.290 6.303 5.572 372 H GLY 550 H GLY 550 14.915 8.420 7.582 373 1HA GLY 550 1HA GLY 550 15.656 8.947 9.720 374 2HA GLY 550 2HA GLY 550 17.293 8.490 9.245 375 H GLU 551 H GLU 551 16.007 10.462 6.920 376 HA GLU 551 HA GLU 551 17.429 12.756 8.042 377 1HB GLU 551 1HB GLU 551 18.118 11.768 5.812 378 2HB GLU 551 2HB GLU 551 16.566 12.281 5.182 379 1HG GLU 551 1HG GLU 551 18.288 13.840 4.554 380 2HG GLU 551 2HG GLU 551 17.159 14.610 5.665 381 H ASP 552 H ASP 552 14.688 12.255 5.814 382 HA ASP 552 HA ASP 552 13.273 14.455 7.193 383 1HB ASP 552 1HB ASP 552 13.643 14.602 4.699 384 2HB ASP 552 2HB ASP 552 12.587 13.204 4.526 385 H PHE 553 H PHE 553 12.974 11.146 6.055 386 HA PHE 553 HA PHE 553 10.949 10.715 8.069 387 1HB PHE 553 1HB PHE 553 9.636 9.272 6.564 388 2HB PHE 553 2HB PHE 553 9.674 10.924 5.985 389 HD1 PHE 553 HD1 PHE 553 10.529 11.426 3.847 390 HD2 PHE 553 HD2 PHE 553 11.001 7.530 5.430 391 HE1 PHE 553 HE1 PHE 553 11.214 10.617 1.630 392 HE2 PHE 553 HE2 PHE 553 11.696 6.708 3.199 393 HZ PHE 553 HZ PHE 553 11.793 8.253 1.308 394 H GLU 554 H GLU 554 10.816 8.409 8.616 395 HA GLU 554 HA GLU 554 13.438 7.200 8.460 396 1HB GLU 554 1HB GLU 554 11.918 7.387 10.526 397 2HB GLU 554 2HB GLU 554 10.920 6.166 9.797 398 1HG GLU 554 1HG GLU 554 13.809 5.848 10.599 399 2HG GLU 554 2HG GLU 554 12.418 5.309 11.525 400 H ASP 555 H ASP 555 13.842 6.077 6.699 401 HA ASP 555 HA ASP 555 11.848 5.417 4.786 402 1HB ASP 555 1HB ASP 555 14.071 6.039 4.024 403 2HB ASP 555 2HB ASP 555 14.781 4.688 4.891 404 H THR 556 H THR 556 10.464 3.984 5.282 405 HA THR 556 HA THR 556 11.450 1.588 6.508 406 HB THR 556 HB THR 556 9.711 2.661 7.788 407 HG1 THR 556 HG1 THR 556 9.739 0.207 7.342 408 1HG2 THR 556 1HG2 THR 556 8.460 3.877 6.181 409 2HG2 THR 556 2HG2 THR 556 7.368 2.718 6.960 410 3HG2 THR 556 3HG2 THR 556 7.987 2.398 5.340 411 H CYS 557 H CYS 557 12.232 0.505 5.021 412 HA CYS 557 HA CYS 557 10.511 -0.433 2.888 413 1HB CYS 557 1HB CYS 557 12.808 -1.038 1.881 414 2HB CYS 557 2HB CYS 557 12.306 0.658 1.874 415 HG CYS 557 HG CYS 557 14.279 1.600 3.172 416 H GLY 558 H GLY 558 9.624 -2.185 3.727 417 1HA GLY 558 1HA GLY 558 11.295 -4.228 4.788 418 2HA GLY 558 2HA GLY 558 10.202 -3.480 5.951 419 H GLU 559 H GLU 559 9.055 -5.375 6.185 420 HA GLU 559 HA GLU 559 7.422 -6.104 3.884 421 1HB GLU 559 1HB GLU 559 9.076 -7.907 5.604 422 2HB GLU 559 2HB GLU 559 7.872 -8.468 4.435 423 1HG GLU 559 1HG GLU 559 9.174 -7.625 2.618 424 2HG GLU 559 2HG GLU 559 10.271 -6.798 3.723 425 H LEU 560 H LEU 560 5.383 -6.496 4.436 426 HA LEU 560 HA LEU 560 4.613 -6.498 7.244 427 1HB LEU 560 1HB LEU 560 3.061 -6.275 4.686 428 2HB LEU 560 2HB LEU 560 2.280 -6.437 6.239 429 HG LEU 560 HG LEU 560 4.063 -4.149 5.391 430 1HD1 LEU 560 1HD1 LEU 560 2.003 -2.853 5.385 431 2HD1 LEU 560 2HD1 LEU 560 1.082 -4.320 5.727 432 3HD1 LEU 560 3HD1 LEU 560 1.957 -4.159 4.203 433 1HD2 LEU 560 1HD2 LEU 560 2.430 -4.544 7.917 434 2HD2 LEU 560 2HD2 LEU 560 3.244 -3.061 7.448 435 3HD2 LEU 560 3HD2 LEU 560 4.193 -4.501 7.807 436 H GLU 561 H GLU 561 3.663 -8.184 8.209 437 HA GLU 561 HA GLU 561 3.953 -10.735 6.838 438 1HB GLU 561 1HB GLU 561 5.297 -10.304 8.830 439 2HB GLU 561 2HB GLU 561 3.836 -10.034 9.758 440 1HG GLU 561 1HG GLU 561 3.206 -12.352 9.442 441 2HG GLU 561 2HG GLU 561 4.653 -12.616 8.466 442 H PHE 562 H PHE 562 2.041 -11.303 5.937 443 HA PHE 562 HA PHE 562 -0.386 -11.110 7.576 444 1HB PHE 562 1HB PHE 562 0.001 -11.392 4.607 445 2HB PHE 562 2HB PHE 562 -1.549 -11.596 5.408 446 HD1 PHE 562 HD1 PHE 562 -2.750 -9.747 6.225 447 HD2 PHE 562 HD2 PHE 562 1.052 -9.236 4.451 448 HE1 PHE 562 HE1 PHE 562 -3.213 -7.335 5.961 449 HE2 PHE 562 HE2 PHE 562 0.623 -6.824 4.181 450 HZ PHE 562 HZ PHE 562 -1.513 -5.877 4.931 451 H GLN 563 H GLN 563 -1.604 -12.931 7.862 452 HA GLN 563 HA GLN 563 -0.253 -15.451 7.151 453 1HB GLN 563 1HB GLN 563 -1.929 -14.933 9.615 454 2HB GLN 563 2HB GLN 563 -0.992 -16.360 9.243 455 1HG GLN 563 1HG GLN 563 0.227 -13.659 9.613 456 2HG GLN 563 2HG GLN 563 -0.004 -14.798 10.951 457 1HE2 GLN 563 1HE2 GLN 563 0.622 -17.116 9.263 458 2HE2 GLN 563 2HE2 GLN 563 2.315 -17.018 9.004 459 H ASN 564 H ASN 564 -2.294 -17.201 7.876 460 HA ASN 564 HA ASN 564 -4.199 -16.632 5.830 461 1HB ASN 564 1HB ASN 564 -5.128 -18.858 6.321 462 2HB ASN 564 2HB ASN 564 -3.388 -18.925 6.095 463 1HD2 ASN 564 1HD2 ASN 564 -5.170 -20.799 7.414 464 2HD2 ASN 564 2HD2 ASN 564 -4.615 -20.951 9.035 465 H ASP 565 H ASP 565 -4.158 -16.884 9.289 466 HA ASP 565 HA ASP 565 -6.949 -16.077 9.474 467 1HB ASP 565 1HB ASP 565 -6.099 -17.776 11.036 468 2HB ASP 565 2HB ASP 565 -4.927 -16.623 11.654 469 H GLU 566 H GLU 566 -3.805 -14.711 9.826 470 HA GLU 566 HA GLU 566 -4.693 -12.271 11.075 471 1HB GLU 566 1HB GLU 566 -2.383 -13.179 11.358 472 2HB GLU 566 2HB GLU 566 -2.093 -12.842 9.658 473 1HG GLU 566 1HG GLU 566 -1.098 -11.093 10.894 474 2HG GLU 566 2HG GLU 566 -2.543 -10.438 10.133 475 H ILE 567 H ILE 567 -5.988 -11.032 9.922 476 HA ILE 567 HA ILE 567 -5.185 -10.362 7.178 477 HB ILE 567 HB ILE 567 -7.426 -9.488 6.779 478 1HG1 ILE 567 1HG1 ILE 567 -8.502 -10.600 9.333 479 2HG1 ILE 567 2HG1 ILE 567 -7.670 -9.047 9.392 480 1HG2 ILE 567 1HG2 ILE 567 -8.727 -11.576 6.828 481 2HG2 ILE 567 2HG2 ILE 567 -7.524 -12.286 7.904 482 3HG2 ILE 567 3HG2 ILE 567 -7.077 -11.832 6.260 483 1HD1 ILE 567 1HD1 ILE 567 -9.154 -8.143 7.779 484 2HD1 ILE 567 2HD1 ILE 567 -10.088 -8.799 9.136 485 3HD1 ILE 567 3HD1 ILE 567 -10.000 -9.682 7.598 486 H VAL 568 H VAL 568 -5.695 -8.085 6.649 487 HA VAL 568 HA VAL 568 -5.123 -5.946 6.774 488 HB VAL 568 HB VAL 568 -7.245 -6.081 8.339 489 1HG1 VAL 568 1HG1 VAL 568 -5.208 -5.207 10.355 490 2HG1 VAL 568 2HG1 VAL 568 -6.157 -6.693 10.406 491 3HG1 VAL 568 3HG1 VAL 568 -6.958 -5.124 10.565 492 1HG2 VAL 568 1HG2 VAL 568 -5.490 -3.638 8.327 493 2HG2 VAL 568 2HG2 VAL 568 -7.225 -3.660 8.646 494 3HG2 VAL 568 3HG2 VAL 568 -6.608 -4.119 7.055 495 H LYS 569 H LYS 569 -3.645 -4.287 7.643 496 HA LYS 569 HA LYS 569 -1.805 -5.053 9.727 497 1HB LYS 569 1HB LYS 569 -1.257 -6.079 7.249 498 2HB LYS 569 2HB LYS 569 -0.470 -4.522 7.144 499 1HG LYS 569 1HG LYS 569 1.144 -6.176 7.784 500 2HG LYS 569 2HG LYS 569 0.858 -5.113 9.165 501 1HD LYS 569 1HD LYS 569 -0.904 -7.437 9.092 502 2HD LYS 569 2HD LYS 569 0.804 -7.862 9.193 503 1HE LYS 569 1HE LYS 569 -0.408 -5.787 10.934 504 2HE LYS 569 2HE LYS 569 -0.474 -7.504 11.402 505 1HZ LYS 569 1HZ LYS 569 1.994 -7.458 11.245 506 2HZ LYS 569 2HZ LYS 569 1.371 -6.406 12.416 507 3HZ LYS 569 3HZ LYS 569 1.924 -5.785 10.972 508 H THR 570 H THR 570 -0.186 -3.204 9.951 509 HA THR 570 HA THR 570 -1.092 -0.796 8.576 510 HB THR 570 HB THR 570 -0.241 0.381 10.700 511 HG1 THR 570 HG1 THR 570 -0.065 -0.716 12.485 512 1HG2 THR 570 1HG2 THR 570 -2.408 0.246 11.778 513 2HG2 THR 570 2HG2 THR 570 -2.821 -1.165 10.795 514 3HG2 THR 570 3HG2 THR 570 -2.570 0.411 10.030 515 H ILE 571 H ILE 571 0.478 0.464 7.716 516 HA ILE 571 HA ILE 571 3.222 -0.415 8.079 517 HB ILE 571 HB ILE 571 2.164 1.894 6.365 518 1HG1 ILE 571 1HG1 ILE 571 3.051 0.469 4.451 519 2HG1 ILE 571 2HG1 ILE 571 3.163 -0.853 5.599 520 1HG2 ILE 571 1HG2 ILE 571 4.414 2.062 5.449 521 2HG2 ILE 571 2HG2 ILE 571 4.950 0.763 6.512 522 3HG2 ILE 571 3HG2 ILE 571 4.431 2.300 7.200 523 1HD1 ILE 571 1HD1 ILE 571 1.184 -0.978 4.246 524 2HD1 ILE 571 2HD1 ILE 571 0.664 0.609 4.839 525 3HD1 ILE 571 3HD1 ILE 571 0.800 -0.761 5.951 526 H SER 572 H SER 572 4.256 0.306 9.778 527 HA SER 572 HA SER 572 3.412 2.788 11.018 528 1HB SER 572 1HB SER 572 5.035 2.037 12.812 529 2HB SER 572 2HB SER 572 3.677 0.948 12.535 530 HG SER 572 HG SER 572 6.025 0.559 11.078 531 H VAL 573 H VAL 573 4.298 4.553 10.180 532 HA VAL 573 HA VAL 573 7.111 4.442 9.306 533 HB VAL 573 HB VAL 573 5.019 6.452 8.475 534 1HG1 VAL 573 1HG1 VAL 573 6.628 7.096 6.720 535 2HG1 VAL 573 2HG1 VAL 573 7.792 5.954 7.392 536 3HG1 VAL 573 3HG1 VAL 573 7.270 7.343 8.345 537 1HG2 VAL 573 1HG2 VAL 573 6.031 4.055 6.951 538 2HG2 VAL 573 2HG2 VAL 573 5.038 5.332 6.269 539 3HG2 VAL 573 3HG2 VAL 573 4.400 4.320 7.564 540 H LYS 574 H LYS 574 8.490 5.626 10.397 541 HA LYS 574 HA LYS 574 7.526 7.436 12.429 542 1HB LYS 574 1HB LYS 574 9.277 5.909 13.083 543 2HB LYS 574 2HB LYS 574 10.300 6.444 11.763 544 1HG LYS 574 1HG LYS 574 10.512 8.628 12.774 545 2HG LYS 574 2HG LYS 574 9.439 8.156 14.096 546 1HD LYS 574 1HD LYS 574 11.049 6.401 14.715 547 2HD LYS 574 2HD LYS 574 12.097 6.931 13.399 548 1HE LYS 574 1HE LYS 574 12.353 9.106 14.437 549 2HE LYS 574 2HE LYS 574 11.235 8.649 15.722 550 1HZ LYS 574 1HZ LYS 574 12.772 6.920 16.370 551 2HZ LYS 574 2HZ LYS 574 13.463 8.431 16.493 552 3HZ LYS 574 3HZ LYS 574 13.893 7.407 15.202 553 H VAL 575 H VAL 575 7.387 9.480 12.181 554 HA VAL 575 HA VAL 575 8.442 10.705 9.771 555 HB VAL 575 HB VAL 575 6.631 11.890 11.900 556 1HG1 VAL 575 1HG1 VAL 575 7.838 13.593 10.623 557 2HG1 VAL 575 2HG1 VAL 575 6.127 13.594 10.191 558 3HG1 VAL 575 3HG1 VAL 575 7.306 12.854 9.114 559 1HG2 VAL 575 1HG2 VAL 575 5.541 10.015 10.786 560 2HG2 VAL 575 2HG2 VAL 575 5.919 10.709 9.211 561 3HG2 VAL 575 3HG2 VAL 575 4.799 11.537 10.293 562 H ILE 576 H ILE 576 10.107 12.120 9.795 563 HA ILE 576 HA ILE 576 11.487 12.453 12.350 564 HB ILE 576 HB ILE 576 12.582 12.853 9.532 565 1HG1 ILE 576 1HG1 ILE 576 11.894 10.516 9.796 566 2HG1 ILE 576 2HG1 ILE 576 13.643 10.661 9.697 567 1HG2 ILE 576 1HG2 ILE 576 14.013 12.459 12.147 568 2HG2 ILE 576 2HG2 ILE 576 13.852 13.981 11.274 569 3HG2 ILE 576 3HG2 ILE 576 14.780 12.650 10.569 570 1HD1 ILE 576 1HD1 ILE 576 12.903 9.009 11.289 571 2HD1 ILE 576 2HD1 ILE 576 12.035 10.270 12.197 572 3HD1 ILE 576 3HD1 ILE 576 13.801 10.319 12.074 573 H ASP 577 H ASP 577 12.496 14.579 12.629 574 HA ASP 577 HA ASP 577 10.681 16.723 11.948 575 1HB ASP 577 1HB ASP 577 12.127 18.172 13.315 576 2HB ASP 577 2HB ASP 577 11.715 16.697 14.175 577 H ASP 578 H ASP 578 11.202 18.628 10.781 578 HA ASP 578 HA ASP 578 12.606 17.898 8.432 579 1HB ASP 578 1HB ASP 578 10.930 20.235 9.083 580 2HB ASP 578 2HB ASP 578 12.137 20.445 7.822 581 H GLU 579 H GLU 579 14.281 18.339 7.630 582 HA GLU 579 HA GLU 579 16.357 19.702 9.108 583 1HB GLU 579 1HB GLU 579 17.432 18.492 6.822 584 2HB GLU 579 2HB GLU 579 17.537 17.925 8.477 585 1HG GLU 579 1HG GLU 579 16.786 16.124 7.048 586 2HG GLU 579 2HG GLU 579 15.489 16.586 8.132 587 H GLU 580 H GLU 580 14.437 20.041 6.204 588 HA GLU 580 HA GLU 580 16.171 22.216 5.339 589 1HB GLU 580 1HB GLU 580 15.227 22.001 3.114 590 2HB GLU 580 2HB GLU 580 15.681 20.390 3.622 591 1HG GLU 580 1HG GLU 580 12.869 21.506 3.602 592 2HG GLU 580 2HG GLU 580 13.556 20.456 2.375 593 H TYR 581 H TYR 581 14.406 23.855 4.061 594 HA TYR 581 HA TYR 581 12.881 24.931 6.228 595 1HB TYR 581 1HB TYR 581 12.214 26.668 4.721 596 2HB TYR 581 2HB TYR 581 13.853 26.262 4.232 597 HD1 TYR 581 HD1 TYR 581 14.191 24.881 2.148 598 HD2 TYR 581 HD2 TYR 581 10.393 26.406 3.276 599 HE1 TYR 581 HE1 TYR 581 13.353 24.480 -0.129 600 HE2 TYR 581 HE2 TYR 581 9.547 26.008 1.043 601 HH TYR 581 HH TYR 581 10.440 25.813 -1.188 602 H GLU 582 H GLU 582 10.562 24.855 6.421 603 HA GLU 582 HA GLU 582 9.795 22.568 4.979 604 1HB GLU 582 1HB GLU 582 7.970 22.151 6.692 605 2HB GLU 582 2HB GLU 582 9.636 21.780 7.057 606 1HG GLU 582 1HG GLU 582 9.762 23.887 8.352 607 2HG GLU 582 2HG GLU 582 8.032 24.123 8.058 608 H LYS 583 H LYS 583 8.562 22.158 3.752 609 HA LYS 583 HA LYS 583 6.385 23.925 3.001 610 1HB LYS 583 1HB LYS 583 6.994 23.181 0.630 611 2HB LYS 583 2HB LYS 583 8.023 24.402 1.362 612 1HG LYS 583 1HG LYS 583 9.503 22.945 0.321 613 2HG LYS 583 2HG LYS 583 9.545 22.489 2.023 614 1HD LYS 583 1HD LYS 583 9.454 20.424 1.007 615 2HD LYS 583 2HD LYS 583 7.742 20.743 1.277 616 1HE LYS 583 1HE LYS 583 9.197 21.396 -1.240 617 2HE LYS 583 2HE LYS 583 8.322 19.865 -0.991 618 1HZ LYS 583 1HZ LYS 583 6.281 21.230 -0.801 619 2HZ LYS 583 2HZ LYS 583 7.066 21.399 -2.268 620 3HZ LYS 583 3HZ LYS 583 7.178 22.626 -1.153 621 H ASN 584 H ASN 584 4.928 22.564 1.529 622 HA ASN 584 HA ASN 584 4.182 20.352 3.140 623 1HB ASN 584 1HB ASN 584 2.506 21.734 1.928 624 2HB ASN 584 2HB ASN 584 3.102 21.080 0.407 625 1HD2 ASN 584 1HD2 ASN 584 1.532 20.316 3.401 626 2HD2 ASN 584 2HD2 ASN 584 0.725 18.899 2.843 627 H LYS 585 H LYS 585 4.805 18.387 3.085 628 HA LYS 585 HA LYS 585 6.384 17.503 0.817 629 1HB LYS 585 1HB LYS 585 8.000 18.148 2.327 630 2HB LYS 585 2HB LYS 585 7.050 17.747 3.730 631 1HG LYS 585 1HG LYS 585 8.308 15.672 1.954 632 2HG LYS 585 2HG LYS 585 9.200 16.460 3.253 633 1HD LYS 585 1HD LYS 585 6.677 14.855 3.521 634 2HD LYS 585 2HD LYS 585 8.286 14.303 3.990 635 1HE LYS 585 1HE LYS 585 6.685 16.562 5.272 636 2HE LYS 585 2HE LYS 585 7.024 14.988 5.963 637 1HZ LYS 585 1HZ LYS 585 9.379 15.542 5.964 638 2HZ LYS 585 2HZ LYS 585 8.470 16.659 6.899 639 3HZ LYS 585 3HZ LYS 585 9.054 17.093 5.396 640 H THR 586 H THR 586 6.251 15.299 0.313 641 HA THR 586 HA THR 586 4.470 13.594 1.804 642 HB THR 586 HB THR 586 2.853 14.901 0.470 643 HG1 THR 586 HG1 THR 586 2.621 12.597 0.636 644 1HG2 THR 586 1HG2 THR 586 2.853 14.950 -1.899 645 2HG2 THR 586 2HG2 THR 586 4.352 14.021 -1.980 646 3HG2 THR 586 3HG2 THR 586 4.357 15.676 -1.312 647 H PHE 587 H PHE 587 4.667 11.587 1.486 648 HA PHE 587 HA PHE 587 6.526 10.688 -0.507 649 1HB PHE 587 1HB PHE 587 7.289 8.945 1.282 650 2HB PHE 587 2HB PHE 587 8.015 10.531 1.253 651 HD1 PHE 587 HD1 PHE 587 5.366 8.514 3.092 652 HD2 PHE 587 HD2 PHE 587 8.098 11.795 3.150 653 HE1 PHE 587 HE1 PHE 587 5.033 8.762 5.507 654 HE2 PHE 587 HE2 PHE 587 7.753 12.022 5.576 655 HZ PHE 587 HZ PHE 587 6.219 10.497 6.748 656 H PHE 588 H PHE 588 6.243 8.571 -1.169 657 HA PHE 588 HA PHE 588 3.401 7.719 -0.946 658 1HB PHE 588 1HB PHE 588 5.326 6.877 -3.103 659 2HB PHE 588 2HB PHE 588 3.567 6.861 -3.062 660 HD1 PHE 588 HD1 PHE 588 6.376 8.611 -4.226 661 HD2 PHE 588 HD2 PHE 588 2.403 9.129 -2.877 662 HE1 PHE 588 HE1 PHE 588 6.265 10.773 -5.408 663 HE2 PHE 588 HE2 PHE 588 2.237 11.229 -4.043 664 HZ PHE 588 HZ PHE 588 4.188 12.102 -5.326 665 H LEU 589 H LEU 589 2.941 5.809 -0.248 666 HA LEU 589 HA LEU 589 5.152 3.935 0.313 667 1HB LEU 589 1HB LEU 589 3.489 4.904 2.179 668 2HB LEU 589 2HB LEU 589 2.403 3.720 1.492 669 HG LEU 589 HG LEU 589 3.355 2.859 3.491 670 1HD1 LEU 589 1HD1 LEU 589 4.505 1.448 1.114 671 2HD1 LEU 589 2HD1 LEU 589 2.905 1.227 1.831 672 3HD1 LEU 589 3HD1 LEU 589 4.346 0.792 2.745 673 1HD2 LEU 589 1HD2 LEU 589 5.345 4.157 3.584 674 2HD2 LEU 589 2HD2 LEU 589 6.032 3.278 2.214 675 3HD2 LEU 589 3HD2 LEU 589 5.736 2.446 3.744 676 H GLU 590 H GLU 590 5.178 2.413 -1.244 677 HA GLU 590 HA GLU 590 2.583 1.464 -2.245 678 1HB GLU 590 1HB GLU 590 3.737 2.845 -3.994 679 2HB GLU 590 2HB GLU 590 5.096 1.732 -3.929 680 1HG GLU 590 1HG GLU 590 3.618 -0.096 -4.655 681 2HG GLU 590 2HG GLU 590 2.279 1.039 -4.741 682 H ILE 591 H ILE 591 2.293 -0.637 -2.219 683 HA ILE 591 HA ILE 591 4.387 -2.222 -1.057 684 HB ILE 591 HB ILE 591 2.664 -4.032 -0.989 685 1HG1 ILE 591 1HG1 ILE 591 0.790 -1.856 -1.975 686 2HG1 ILE 591 2HG1 ILE 591 1.219 -3.292 -2.881 687 1HG2 ILE 591 1HG2 ILE 591 3.045 -2.663 0.944 688 2HG2 ILE 591 2HG2 ILE 591 1.317 -2.994 0.811 689 3HG2 ILE 591 3HG2 ILE 591 1.958 -1.421 0.329 690 1HD1 ILE 591 1HD1 ILE 591 -0.971 -3.517 -1.902 691 2HD1 ILE 591 2HD1 ILE 591 -0.307 -3.196 -0.302 692 3HD1 ILE 591 3HD1 ILE 591 0.141 -4.674 -1.159 693 H GLY 592 H GLY 592 5.205 -4.062 -1.983 694 1HA GLY 592 1HA GLY 592 5.288 -3.900 -4.894 695 2HA GLY 592 2HA GLY 592 6.424 -4.765 -3.861 696 H GLU 593 H GLU 593 6.263 -6.610 -4.995 697 HA GLU 593 HA GLU 593 3.792 -7.926 -5.532 698 1HB GLU 593 1HB GLU 593 5.734 -8.285 -6.915 699 2HB GLU 593 2HB GLU 593 6.666 -8.867 -5.536 700 1HG GLU 593 1HG GLU 593 4.741 -10.623 -5.410 701 2HG GLU 593 2HG GLU 593 4.513 -10.173 -7.099 702 HA PRO 594 HA PRO 594 3.793 -9.541 -1.316 703 1HB PRO 594 1HB PRO 594 1.316 -10.675 -1.391 704 2HB PRO 594 2HB PRO 594 1.560 -8.940 -1.195 705 1HG PRO 594 1HG PRO 594 0.841 -10.449 -3.642 706 2HG PRO 594 2HG PRO 594 0.211 -8.904 -3.061 707 1HD PRO 594 1HD PRO 594 2.122 -9.164 -4.997 708 2HD PRO 594 2HD PRO 594 1.968 -7.734 -3.953 709 H ARG 595 H ARG 595 4.477 -11.496 -0.636 710 HA ARG 595 HA ARG 595 4.760 -13.452 -2.770 711 1HB ARG 595 1HB ARG 595 6.846 -14.181 -1.686 712 2HB ARG 595 2HB ARG 595 6.898 -12.508 -2.207 713 1HG ARG 595 1HG ARG 595 6.292 -11.928 0.199 714 2HG ARG 595 2HG ARG 595 6.689 -13.607 0.571 715 1HD ARG 595 1HD ARG 595 8.510 -11.571 -0.690 716 2HD ARG 595 2HD ARG 595 8.586 -12.123 0.978 717 HE ARG 595 HE ARG 595 8.834 -14.389 -0.467 718 1HH1 ARG 595 1HH1 ARG 595 10.502 -11.274 -0.634 719 2HH1 ARG 595 2HH1 ARG 595 12.024 -11.938 -0.977 720 1HH2 ARG 595 1HH2 ARG 595 10.949 -15.312 -1.046 721 2HH2 ARG 595 2HH2 ARG 595 12.272 -14.278 -1.253 722 H LEU 596 H LEU 596 3.724 -15.248 -2.551 723 HA LEU 596 HA LEU 596 2.500 -16.001 -0.097 724 1HB LEU 596 1HB LEU 596 1.995 -16.508 -2.700 725 2HB LEU 596 2HB LEU 596 2.914 -17.944 -2.303 726 HG LEU 596 HG LEU 596 0.835 -18.724 -1.934 727 1HD1 LEU 596 1HD1 LEU 596 1.958 -18.981 0.186 728 2HD1 LEU 596 2HD1 LEU 596 0.218 -18.768 0.408 729 3HD1 LEU 596 3HD1 LEU 596 1.315 -17.423 0.715 730 1HD2 LEU 596 1HD2 LEU 596 0.026 -15.982 -1.058 731 2HD2 LEU 596 2HD2 LEU 596 -1.063 -17.372 -1.116 732 3HD2 LEU 596 3HD2 LEU 596 -0.330 -16.749 -2.602 733 H VAL 597 H VAL 597 3.666 -16.998 1.437 734 HA VAL 597 HA VAL 597 6.293 -17.997 0.775 735 HB VAL 597 HB VAL 597 4.899 -18.151 3.358 736 1HG1 VAL 597 1HG1 VAL 597 7.868 -18.185 2.701 737 2HG1 VAL 597 2HG1 VAL 597 6.905 -19.540 3.288 738 3HG1 VAL 597 3HG1 VAL 597 7.239 -18.171 4.348 739 1HG2 VAL 597 1HG2 VAL 597 4.885 -15.827 2.772 740 2HG2 VAL 597 2HG2 VAL 597 6.605 -15.861 2.377 741 3HG2 VAL 597 3HG2 VAL 597 6.076 -16.045 4.051 742 H GLU 598 H GLU 598 5.189 -19.441 -0.520 743 HA GLU 598 HA GLU 598 5.013 -22.024 0.877 744 1HB GLU 598 1HB GLU 598 3.605 -22.960 -0.944 745 2HB GLU 598 2HB GLU 598 2.827 -21.649 -0.079 746 1HG GLU 598 1HG GLU 598 3.331 -20.136 -1.907 747 2HG GLU 598 2HG GLU 598 4.163 -21.437 -2.760 748 H MET 599 H MET 599 6.360 -20.275 -1.733 749 HA MET 599 HA MET 599 8.272 -20.523 -2.965 750 1HB MET 599 1HB MET 599 8.868 -22.700 -0.963 751 2HB MET 599 2HB MET 599 10.032 -22.064 -2.113 752 1HG MET 599 1HG MET 599 9.923 -19.882 -1.050 753 2HG MET 599 2HG MET 599 8.690 -20.466 0.064 754 1HE MET 599 1HE MET 599 10.678 -23.140 2.140 755 2HE MET 599 2HE MET 599 9.807 -23.450 0.639 756 3HE MET 599 3HE MET 599 9.112 -22.379 1.852 757 H SER 600 H SER 600 5.933 -21.892 -3.751 758 HA SER 600 HA SER 600 7.036 -24.327 -4.931 759 1HB SER 600 1HB SER 600 5.249 -24.729 -3.285 760 2HB SER 600 2HB SER 600 4.157 -23.724 -4.231 761 HG SER 600 HG SER 600 5.391 -26.150 -5.080 762 H GLU 601 H GLU 601 6.773 -24.682 -7.089 763 HA GLU 601 HA GLU 601 5.613 -22.517 -8.623 764 1HB GLU 601 1HB GLU 601 7.149 -23.166 -10.455 765 2HB GLU 601 2HB GLU 601 8.034 -22.711 -9.019 766 1HG GLU 601 1HG GLU 601 7.560 -25.550 -9.960 767 2HG GLU 601 2HG GLU 601 9.029 -24.628 -10.227 768 H LYS 602 H LYS 602 3.565 -23.159 -8.909 769 HA LYS 602 HA LYS 602 3.212 -25.597 -10.425 770 1HB LYS 602 1HB LYS 602 2.782 -26.241 -8.068 771 2HB LYS 602 2HB LYS 602 1.583 -24.960 -7.945 772 1HG LYS 602 1HG LYS 602 0.207 -26.063 -9.620 773 2HG LYS 602 2HG LYS 602 1.428 -27.315 -9.812 774 1HD LYS 602 1HD LYS 602 1.073 -28.045 -7.525 775 2HD LYS 602 2HD LYS 602 -0.088 -26.740 -7.272 776 1HE LYS 602 1HE LYS 602 -1.247 -28.856 -7.725 777 2HE LYS 602 2HE LYS 602 -1.539 -27.674 -8.992 778 1HZ LYS 602 1HZ LYS 602 0.411 -29.911 -9.170 779 2HZ LYS 602 2HZ LYS 602 0.079 -28.800 -10.389 780 3HZ LYS 602 3HZ LYS 602 -1.106 -29.873 -9.898 781 H LYS 603 H LYS 603 1.419 -25.571 -11.740 782 HA LYS 603 HA LYS 603 -0.192 -24.832 -13.036 783 1HB LYS 603 1HB LYS 603 -1.462 -24.229 -11.029 784 2HB LYS 603 2HB LYS 603 -0.635 -22.690 -10.947 785 1HG LYS 603 1HG LYS 603 -2.915 -22.447 -11.820 786 2HG LYS 603 2HG LYS 603 -1.707 -21.961 -13.005 787 1HD LYS 603 1HD LYS 603 -3.470 -23.260 -14.075 788 2HD LYS 603 2HD LYS 603 -1.950 -24.140 -14.134 789 1HE LYS 603 1HE LYS 603 -2.684 -25.477 -12.188 790 2HE LYS 603 2HE LYS 603 -4.222 -24.613 -12.199 791 1HZ LYS 603 1HZ LYS 603 -4.363 -26.748 -13.338 792 2HZ LYS 603 2HZ LYS 603 -3.152 -26.296 -14.390 793 3HZ LYS 603 3HZ LYS 603 -4.629 -25.491 -14.435 794 H GLY 604 H GLY 604 1.805 -22.177 -11.908 795 1HA GLY 604 1HA GLY 604 1.634 -20.828 -14.478 796 2HA GLY 604 2HA GLY 604 2.607 -20.342 -13.090 797 H GLY 605 H GLY 605 4.433 -21.822 -12.554 798 1HA GLY 605 1HA GLY 605 6.226 -21.892 -14.678 799 2HA GLY 605 2HA GLY 605 6.448 -22.671 -13.123 800 H PHE 606 H PHE 606 5.994 -23.110 -16.384 801 HA PHE 606 HA PHE 606 5.111 -25.881 -16.193 802 1HB PHE 606 1HB PHE 606 4.290 -24.504 -18.067 803 2HB PHE 606 2HB PHE 606 5.941 -24.196 -18.583 804 HD1 PHE 606 HD1 PHE 606 6.876 -25.545 -20.224 805 HD2 PHE 606 HD2 PHE 606 3.580 -26.993 -17.979 806 HE1 PHE 606 HE1 PHE 606 6.794 -27.546 -21.654 807 HE2 PHE 606 HE2 PHE 606 3.483 -29.002 -19.404 808 HZ PHE 606 HZ PHE 606 5.094 -29.278 -21.244 809 H THR 607 H THR 607 7.966 -23.990 -16.452 810 HA THR 607 HA THR 607 9.698 -26.038 -17.328 811 HB THR 607 HB THR 607 11.369 -24.256 -16.515 812 HG1 THR 607 HG1 THR 607 10.422 -22.214 -16.213 813 1HG2 THR 607 1HG2 THR 607 9.329 -23.587 -18.647 814 2HG2 THR 607 2HG2 THR 607 10.763 -24.590 -18.873 815 3HG2 THR 607 3HG2 THR 607 10.934 -22.875 -18.501 816 H ILE 608 H ILE 608 11.334 -27.009 -16.027 817 HA ILE 608 HA ILE 608 10.408 -27.699 -13.351 818 HB ILE 608 HB ILE 608 12.833 -28.812 -14.848 819 1HG1 ILE 608 1HG1 ILE 608 9.982 -29.841 -14.915 820 2HG1 ILE 608 2HG1 ILE 608 10.786 -28.999 -16.231 821 1HG2 ILE 608 1HG2 ILE 608 11.088 -30.017 -12.678 822 2HG2 ILE 608 2HG2 ILE 608 12.723 -29.393 -12.452 823 3HG2 ILE 608 3HG2 ILE 608 12.454 -30.815 -13.461 824 1HD1 ILE 608 1HD1 ILE 608 10.741 -31.389 -16.600 825 2HD1 ILE 608 2HD1 ILE 608 11.595 -31.661 -15.079 826 3HD1 ILE 608 3HD1 ILE 608 12.398 -30.820 -16.407 827 H THR 609 H THR 609 11.745 -25.180 -14.259 828 HA THR 609 HA THR 609 13.404 -24.753 -11.954 829 HB THR 609 HB THR 609 14.404 -24.283 -14.786 830 HG1 THR 609 HG1 THR 609 14.625 -26.328 -13.080 831 1HG2 THR 609 1HG2 THR 609 16.478 -23.477 -13.694 832 2HG2 THR 609 2HG2 THR 609 15.700 -23.667 -12.122 833 3HG2 THR 609 3HG2 THR 609 15.087 -22.478 -13.267 834 H GLU 610 H GLU 610 12.853 -22.736 -11.214 835 HA GLU 610 HA GLU 610 11.104 -21.122 -12.804 836 1HB GLU 610 1HB GLU 610 12.410 -20.523 -10.140 837 2HB GLU 610 2HB GLU 610 11.133 -19.577 -10.886 838 1HG GLU 610 1HG GLU 610 9.616 -21.470 -10.682 839 2HG GLU 610 2HG GLU 610 10.897 -22.424 -9.938 840 H GLU 611 H GLU 611 12.454 -20.720 -14.575 841 HA GLU 611 HA GLU 611 14.843 -19.281 -14.096 842 1HB GLU 611 1HB GLU 611 14.694 -19.223 -16.777 843 2HB GLU 611 2HB GLU 611 15.361 -20.553 -15.844 844 1HG GLU 611 1HG GLU 611 13.936 -21.347 -17.642 845 2HG GLU 611 2HG GLU 611 13.302 -21.783 -16.062 846 H TYR 612 H TYR 612 15.317 -17.298 -14.495 847 HA TYR 612 HA TYR 612 15.082 -15.112 -14.380 848 1HB TYR 612 1HB TYR 612 13.040 -15.569 -16.549 849 2HB TYR 612 2HB TYR 612 13.568 -13.977 -16.031 850 HD1 TYR 612 HD1 TYR 612 14.216 -16.711 -18.198 851 HD2 TYR 612 HD2 TYR 612 16.092 -13.483 -16.179 852 HE1 TYR 612 HE1 TYR 612 16.094 -16.817 -19.786 853 HE2 TYR 612 HE2 TYR 612 17.975 -13.578 -17.755 854 HH TYR 612 HH TYR 612 19.023 -15.225 -19.283 855 H ASP 613 H ASP 613 14.293 -15.689 -12.230 856 HA ASP 613 HA ASP 613 11.572 -14.737 -11.873 857 1HB ASP 613 1HB ASP 613 11.614 -15.623 -9.591 858 2HB ASP 613 2HB ASP 613 12.127 -16.877 -10.699 859 H ASP 614 H ASP 614 11.523 -12.652 -11.944 860 HA ASP 614 HA ASP 614 13.440 -11.179 -10.284 861 1HB ASP 614 1HB ASP 614 13.699 -10.876 -12.786 862 2HB ASP 614 2HB ASP 614 12.101 -10.130 -12.773 863 H LYS 615 H LYS 615 12.488 -10.266 -8.630 864 HA LYS 615 HA LYS 615 9.649 -10.083 -8.555 865 1HB LYS 615 1HB LYS 615 11.739 -9.393 -6.510 866 2HB LYS 615 2HB LYS 615 10.016 -9.158 -6.239 867 1HG LYS 615 1HG LYS 615 9.671 -11.570 -6.692 868 2HG LYS 615 2HG LYS 615 11.420 -11.762 -6.787 869 1HD LYS 615 1HD LYS 615 11.678 -11.077 -4.513 870 2HD LYS 615 2HD LYS 615 9.977 -10.641 -4.398 871 1HE LYS 615 1HE LYS 615 11.153 -13.400 -4.725 872 2HE LYS 615 2HE LYS 615 10.294 -12.765 -3.326 873 1HZ LYS 615 1HZ LYS 615 9.198 -13.496 -5.972 874 2HZ LYS 615 2HZ LYS 615 8.324 -12.505 -4.982 875 3HZ LYS 615 3HZ LYS 615 8.730 -14.076 -4.474 876 H GLN 616 H GLN 616 8.665 -8.673 -9.470 877 HA GLN 616 HA GLN 616 9.607 -5.890 -9.729 878 1HB GLN 616 1HB GLN 616 7.874 -7.639 -11.487 879 2HB GLN 616 2HB GLN 616 8.283 -5.966 -11.822 880 1HG GLN 616 1HG GLN 616 10.501 -6.464 -12.230 881 2HG GLN 616 2HG GLN 616 10.389 -8.054 -11.471 882 1HE2 GLN 616 1HE2 GLN 616 9.488 -9.694 -12.586 883 2HE2 GLN 616 2HE2 GLN 616 9.220 -9.646 -14.297 884 HA PRO 617 HA PRO 617 5.475 -4.948 -7.998 885 1HB PRO 617 1HB PRO 617 4.647 -3.402 -10.311 886 2HB PRO 617 2HB PRO 617 4.892 -2.841 -8.663 887 1HG PRO 617 1HG PRO 617 6.572 -2.145 -10.695 888 2HG PRO 617 2HG PRO 617 7.082 -2.262 -9.005 889 1HD PRO 617 1HD PRO 617 7.566 -4.121 -11.267 890 2HD PRO 617 2HD PRO 617 8.566 -3.777 -9.841 891 H LEU 618 H LEU 618 3.131 -5.247 -8.666 892 HA LEU 618 HA LEU 618 2.959 -7.697 -10.019 893 1HB LEU 618 1HB LEU 618 0.839 -5.810 -9.128 894 2HB LEU 618 2HB LEU 618 0.430 -7.323 -9.921 895 HG LEU 618 HG LEU 618 0.137 -7.747 -7.641 896 1HD1 LEU 618 1HD1 LEU 618 1.760 -9.399 -7.033 897 2HD1 LEU 618 2HD1 LEU 618 2.926 -8.726 -8.152 898 3HD1 LEU 618 3HD1 LEU 618 1.452 -9.486 -8.770 899 1HD2 LEU 618 1HD2 LEU 618 2.787 -6.431 -7.091 900 2HD2 LEU 618 2HD2 LEU 618 1.747 -7.193 -5.895 901 3HD2 LEU 618 3HD2 LEU 618 1.196 -5.748 -6.742 902 H THR 619 H THR 619 3.366 -7.938 -12.025 903 HA THR 619 HA THR 619 1.978 -6.305 -13.980 904 HB THR 619 HB THR 619 4.186 -6.541 -15.333 905 HG1 THR 619 HG1 THR 619 5.175 -6.840 -12.676 906 1HG2 THR 619 1HG2 THR 619 5.114 -4.460 -14.379 907 2HG2 THR 619 2HG2 THR 619 4.102 -4.668 -12.952 908 3HG2 THR 619 3HG2 THR 619 3.357 -4.368 -14.524 909 H SER 620 H SER 620 1.370 -7.484 -15.784 910 HA SER 620 HA SER 620 2.199 -10.296 -15.829 911 1HB SER 620 1HB SER 620 -0.626 -9.300 -16.203 912 2HB SER 620 2HB SER 620 -0.086 -10.971 -16.387 913 HG SER 620 HG SER 620 0.809 -10.146 -14.066 914 H LYS 621 H LYS 621 2.070 -7.419 -17.492 915 HA LYS 621 HA LYS 621 2.631 -6.814 -19.599 916 1HB LYS 621 1HB LYS 621 4.498 -8.402 -19.190 917 2HB LYS 621 2HB LYS 621 3.518 -9.720 -19.775 918 1HG LYS 621 1HG LYS 621 4.994 -9.312 -21.525 919 2HG LYS 621 2HG LYS 621 3.540 -8.470 -22.028 920 1HD LYS 621 1HD LYS 621 5.918 -7.143 -20.707 921 2HD LYS 621 2HD LYS 621 5.677 -7.245 -22.445 922 1HE LYS 621 1HE LYS 621 3.531 -5.971 -22.122 923 2HE LYS 621 2HE LYS 621 3.992 -5.773 -20.430 924 1HZ LYS 621 1HZ LYS 621 5.991 -4.636 -21.125 925 2HZ LYS 621 2HZ LYS 621 4.630 -3.855 -21.716 926 3HZ LYS 621 3HZ LYS 621 5.559 -4.806 -22.745 927 H GLU 622 H GLU 622 0.010 -8.174 -18.928 928 HA GLU 622 HA GLU 622 -1.926 -8.834 -19.796 929 1HB GLU 622 1HB GLU 622 -0.805 -7.802 -22.407 930 2HB GLU 622 2HB GLU 622 -2.478 -8.282 -22.167 931 1HG GLU 622 1HG GLU 622 -2.681 -6.544 -20.421 932 2HG GLU 622 2HG GLU 622 -1.037 -6.028 -20.795 933 H GLU 623 H GLU 623 0.671 -10.491 -20.108 934 HA GLU 623 HA GLU 623 -0.029 -12.443 -22.092 935 1HB GLU 623 1HB GLU 623 2.088 -12.330 -19.949 936 2HB GLU 623 2HB GLU 623 1.896 -13.703 -21.023 937 1HG GLU 623 1HG GLU 623 2.547 -10.879 -21.835 938 2HG GLU 623 2HG GLU 623 3.677 -12.233 -21.760 939 H GLU 624 H GLU 624 -1.427 -14.018 -21.752 940 HA GLU 624 HA GLU 624 -2.754 -14.341 -19.307 941 1HB GLU 624 1HB GLU 624 -2.687 -16.187 -21.681 942 2HB GLU 624 2HB GLU 624 -3.784 -16.354 -20.316 943 1HG GLU 624 1HG GLU 624 -4.662 -14.099 -20.809 944 2HG GLU 624 2HG GLU 624 -3.646 -14.058 -22.244 945 H GLU 625 H GLU 625 -0.064 -16.115 -20.710 946 HA GLU 625 HA GLU 625 -0.129 -18.088 -18.678 947 1HB GLU 625 1HB GLU 625 2.115 -17.360 -20.558 948 2HB GLU 625 2HB GLU 625 2.068 -18.802 -19.544 949 1HG GLU 625 1HG GLU 625 -0.078 -19.409 -20.695 950 2HG GLU 625 2HG GLU 625 0.245 -18.099 -21.825 951 H ARG 626 H ARG 626 1.147 -14.903 -18.778 952 HA ARG 626 HA ARG 626 2.841 -15.308 -16.501 953 1HB ARG 626 1HB ARG 626 3.369 -13.571 -18.172 954 2HB ARG 626 2HB ARG 626 1.822 -12.806 -17.866 955 1HG ARG 626 1HG ARG 626 3.572 -11.553 -16.807 956 2HG ARG 626 2HG ARG 626 2.544 -12.300 -15.584 957 1HD ARG 626 1HD ARG 626 4.217 -14.024 -15.218 958 2HD ARG 626 2HD ARG 626 5.236 -13.326 -16.483 959 HE ARG 626 HE ARG 626 5.003 -11.230 -14.956 960 1HH1 ARG 626 1HH1 ARG 626 5.698 -14.554 -13.912 961 2HH1 ARG 626 2HH1 ARG 626 6.286 -14.028 -12.398 962 1HH2 ARG 626 1HH2 ARG 626 5.854 -10.604 -12.954 963 2HH2 ARG 626 2HH2 ARG 626 6.391 -11.775 -11.831 964 H ARG 627 H ARG 627 -0.387 -14.162 -17.282 965 HA ARG 627 HA ARG 627 -1.220 -13.332 -14.726 966 1HB ARG 627 1HB ARG 627 -2.823 -14.514 -17.006 967 2HB ARG 627 2HB ARG 627 -3.546 -13.853 -15.553 968 1HG ARG 627 1HG ARG 627 -2.649 -11.656 -16.085 969 2HG ARG 627 2HG ARG 627 -1.854 -12.319 -17.515 970 1HD ARG 627 1HD ARG 627 -4.004 -12.885 -18.488 971 2HD ARG 627 2HD ARG 627 -4.830 -12.358 -17.026 972 HE ARG 627 HE ARG 627 -3.702 -10.129 -17.607 973 1HH1 ARG 627 1HH1 ARG 627 -5.166 -12.391 -19.946 974 2HH1 ARG 627 2HH1 ARG 627 -5.532 -11.186 -21.074 975 1HH2 ARG 627 1HH2 ARG 627 -4.299 -8.463 -19.172 976 2HH2 ARG 627 2HH2 ARG 627 -5.033 -8.910 -20.634 977 H ILE 628 H ILE 628 -1.266 -16.500 -16.298 978 HA ILE 628 HA ILE 628 -2.509 -17.945 -14.248 979 HB ILE 628 HB ILE 628 -0.524 -18.813 -16.360 980 1HG1 ILE 628 1HG1 ILE 628 -3.532 -19.118 -16.253 981 2HG1 ILE 628 2HG1 ILE 628 -2.693 -17.848 -17.133 982 1HG2 ILE 628 1HG2 ILE 628 -0.540 -20.369 -14.504 983 2HG2 ILE 628 2HG2 ILE 628 -1.268 -21.104 -15.941 984 3HG2 ILE 628 3HG2 ILE 628 -2.294 -20.524 -14.618 985 1HD1 ILE 628 1HD1 ILE 628 -1.634 -19.512 -18.530 986 2HD1 ILE 628 2HD1 ILE 628 -3.393 -19.642 -18.601 987 3HD1 ILE 628 3HD1 ILE 628 -2.453 -20.800 -17.648 988 H ALA 629 H ALA 629 0.851 -17.078 -14.771 989 HA ALA 629 HA ALA 629 1.854 -18.629 -12.610 990 1HB ALA 629 1HB ALA 629 3.285 -17.860 -14.444 991 2HB ALA 629 2HB ALA 629 3.908 -17.327 -12.878 992 3HB ALA 629 3HB ALA 629 3.050 -16.190 -13.927 993 H GLU 630 H GLU 630 0.873 -15.294 -12.988 994 HA GLU 630 HA GLU 630 1.419 -14.661 -10.242 995 1HB GLU 630 1HB GLU 630 -0.046 -13.027 -12.320 996 2HB GLU 630 2HB GLU 630 0.489 -12.441 -10.749 997 1HG GLU 630 1HG GLU 630 2.233 -13.352 -13.033 998 2HG GLU 630 2HG GLU 630 2.023 -11.703 -12.453 999 H MET 631 H MET 631 -0.898 -16.499 -11.508 1000 HA MET 631 HA MET 631 -3.151 -15.643 -10.043 1001 1HB MET 631 1HB MET 631 -3.400 -16.875 -12.093 1002 2HB MET 631 2HB MET 631 -2.389 -18.178 -11.497 1003 1HG MET 631 1HG MET 631 -4.000 -18.666 -9.831 1004 2HG MET 631 2HG MET 631 -5.061 -17.384 -10.442 1005 1HE MET 631 1HE MET 631 -4.578 -17.702 -13.624 1006 2HE MET 631 2HE MET 631 -6.149 -17.428 -12.875 1007 3HE MET 631 3HE MET 631 -5.941 -18.745 -14.031 1008 H GLY 632 H GLY 632 -0.330 -17.634 -9.568 1009 1HA GLY 632 1HA GLY 632 -1.324 -18.855 -7.133 1010 2HA GLY 632 2HA GLY 632 0.296 -19.030 -7.812 1011 H ARG 633 H ARG 633 -0.071 -15.967 -8.039 1012 HA ARG 633 HA ARG 633 1.291 -15.303 -5.566 1013 1HB ARG 633 1HB ARG 633 0.768 -13.866 -8.164 1014 2HB ARG 633 2HB ARG 633 1.335 -13.014 -6.753 1015 1HG ARG 633 1HG ARG 633 3.057 -13.565 -8.457 1016 2HG ARG 633 2HG ARG 633 3.445 -14.120 -6.841 1017 1HD ARG 633 1HD ARG 633 3.139 -16.346 -7.425 1018 2HD ARG 633 2HD ARG 633 2.140 -15.957 -8.824 1019 HE ARG 633 HE ARG 633 4.178 -14.961 -9.772 1020 1HH1 ARG 633 1HH1 ARG 633 4.415 -17.740 -7.528 1021 2HH1 ARG 633 2HH1 ARG 633 5.901 -18.264 -8.156 1022 1HH2 ARG 633 1HH2 ARG 633 6.204 -15.664 -10.533 1023 2HH2 ARG 633 2HH2 ARG 633 6.986 -17.054 -9.909 1024 HA PRO 634 HA PRO 634 -2.445 -13.089 -4.255 1025 1HB PRO 634 1HB PRO 634 -0.985 -11.455 -2.492 1026 2HB PRO 634 2HB PRO 634 -1.866 -12.916 -2.043 1027 1HG PRO 634 1HG PRO 634 0.966 -12.487 -2.161 1028 2HG PRO 634 2HG PRO 634 0.106 -13.947 -1.646 1029 1HD PRO 634 1HD PRO 634 1.545 -13.385 -4.077 1030 2HD PRO 634 2HD PRO 634 0.831 -14.914 -3.533 1031 H ILE 635 H ILE 635 -3.094 -10.785 -4.567 1032 HA ILE 635 HA ILE 635 -1.028 -9.291 -5.917 1033 HB ILE 635 HB ILE 635 -2.597 -8.678 -7.817 1034 1HG1 ILE 635 1HG1 ILE 635 -4.155 -10.601 -8.500 1035 2HG1 ILE 635 2HG1 ILE 635 -4.033 -11.155 -6.840 1036 1HG2 ILE 635 1HG2 ILE 635 -1.441 -11.440 -7.678 1037 2HG2 ILE 635 2HG2 ILE 635 -0.629 -9.969 -8.201 1038 3HG2 ILE 635 3HG2 ILE 635 -1.941 -10.647 -9.174 1039 1HD1 ILE 635 1HD1 ILE 635 -5.152 -8.532 -7.780 1040 2HD1 ILE 635 2HD1 ILE 635 -4.959 -9.015 -6.100 1041 3HD1 ILE 635 3HD1 ILE 635 -6.058 -9.914 -7.153 1042 H LEU 636 H LEU 636 -1.927 -7.142 -6.782 1043 HA LEU 636 HA LEU 636 -2.727 -5.745 -4.434 1044 1HB LEU 636 1HB LEU 636 -2.224 -3.714 -5.612 1045 2HB LEU 636 2HB LEU 636 -0.964 -4.860 -5.972 1046 HG LEU 636 HG LEU 636 -1.241 -3.761 -7.961 1047 1HD1 LEU 636 1HD1 LEU 636 -1.329 -6.051 -8.485 1048 2HD1 LEU 636 2HD1 LEU 636 -2.401 -5.166 -9.595 1049 3HD1 LEU 636 3HD1 LEU 636 -3.070 -6.057 -8.215 1050 1HD2 LEU 636 1HD2 LEU 636 -3.373 -3.088 -8.984 1051 2HD2 LEU 636 2HD2 LEU 636 -3.118 -2.375 -7.390 1052 3HD2 LEU 636 3HD2 LEU 636 -4.224 -3.736 -7.579 1053 H GLY 637 H GLY 637 -4.469 -4.474 -4.197 1054 1HA GLY 637 1HA GLY 637 -6.846 -5.563 -5.499 1055 2HA GLY 637 2HA GLY 637 -6.835 -4.670 -3.995 1056 H GLU 638 H GLU 638 -8.056 -2.977 -4.263 1057 HA GLU 638 HA GLU 638 -8.594 -1.879 -6.796 1058 1HB GLU 638 1HB GLU 638 -10.217 -1.967 -4.952 1059 2HB GLU 638 2HB GLU 638 -9.251 -0.806 -4.070 1060 1HG GLU 638 1HG GLU 638 -9.685 0.899 -5.718 1061 2HG GLU 638 2HG GLU 638 -10.536 -0.257 -6.736 1062 H HIS 639 H HIS 639 -6.953 -0.480 -3.985 1063 HA HIS 639 HA HIS 639 -5.428 1.095 -5.873 1064 1HB HIS 639 1HB HIS 639 -5.681 3.179 -4.478 1065 2HB HIS 639 2HB HIS 639 -7.118 2.683 -5.351 1066 HD1 HIS 639 HD1 HIS 639 -5.821 3.243 -1.884 1067 HD2 HIS 639 HD2 HIS 639 -9.235 1.791 -3.734 1068 HE1 HIS 639 HE1 HIS 639 -7.621 3.216 -0.125 1069 H THR 640 H THR 640 -3.435 0.734 -5.591 1070 HA THR 640 HA THR 640 -2.478 0.484 -2.865 1071 HB THR 640 HB THR 640 -0.585 -0.868 -3.920 1072 HG1 THR 640 HG1 THR 640 -1.257 -0.238 -6.067 1073 1HG2 THR 640 1HG2 THR 640 -1.825 -2.925 -3.796 1074 2HG2 THR 640 2HG2 THR 640 -3.359 -2.061 -4.003 1075 3HG2 THR 640 3HG2 THR 640 -2.390 -1.828 -2.538 1076 H LYS 641 H LYS 641 -2.028 2.594 -2.656 1077 HA LYS 641 HA LYS 641 0.550 3.444 -3.279 1078 1HB LYS 641 1HB LYS 641 -0.988 3.933 -5.456 1079 2HB LYS 641 2HB LYS 641 -1.471 5.302 -4.458 1080 1HG LYS 641 1HG LYS 641 1.381 4.680 -5.297 1081 2HG LYS 641 2HG LYS 641 0.311 5.848 -6.090 1082 1HD LYS 641 1HD LYS 641 1.170 5.983 -3.229 1083 2HD LYS 641 2HD LYS 641 2.089 6.705 -4.546 1084 1HE LYS 641 1HE LYS 641 -0.705 7.490 -3.620 1085 2HE LYS 641 2HE LYS 641 0.808 8.336 -3.467 1086 1HZ LYS 641 1HZ LYS 641 0.907 8.549 -5.895 1087 2HZ LYS 641 2HZ LYS 641 -0.372 9.332 -5.202 1088 3HZ LYS 641 3HZ LYS 641 -0.646 7.877 -6.023 1089 H LEU 642 H LEU 642 0.888 4.560 -1.473 1090 HA LEU 642 HA LEU 642 -1.427 5.876 -0.267 1091 1HB LEU 642 1HB LEU 642 -0.486 4.076 1.085 1092 2HB LEU 642 2HB LEU 642 1.085 4.856 0.932 1093 HG LEU 642 HG LEU 642 0.184 6.819 2.110 1094 1HD1 LEU 642 1HD1 LEU 642 -1.849 6.521 3.458 1095 2HD1 LEU 642 2HD1 LEU 642 -2.180 5.026 2.573 1096 3HD1 LEU 642 3HD1 LEU 642 -2.154 6.567 1.724 1097 1HD2 LEU 642 1HD2 LEU 642 0.401 5.886 4.265 1098 2HD2 LEU 642 2HD2 LEU 642 1.534 5.062 3.190 1099 3HD2 LEU 642 3HD2 LEU 642 0.028 4.265 3.679 1100 H GLU 643 H GLU 643 -1.315 7.923 -0.692 1101 HA GLU 643 HA GLU 643 1.277 9.203 -0.941 1102 1HB GLU 643 1HB GLU 643 -0.673 9.458 -2.610 1103 2HB GLU 643 2HB GLU 643 -1.424 10.402 -1.340 1104 1HG GLU 643 1HG GLU 643 0.131 12.087 -1.475 1105 2HG GLU 643 2HG GLU 643 1.295 11.077 -2.325 1106 H VAL 644 H VAL 644 2.010 9.634 1.024 1107 HA VAL 644 HA VAL 644 0.156 10.426 3.103 1108 HB VAL 644 HB VAL 644 3.153 10.209 3.259 1109 1HG1 VAL 644 1HG1 VAL 644 1.986 11.430 5.027 1110 2HG1 VAL 644 2HG1 VAL 644 2.878 10.040 5.584 1111 3HG1 VAL 644 3HG1 VAL 644 1.115 9.950 5.448 1112 1HG2 VAL 644 1HG2 VAL 644 2.258 8.083 2.440 1113 2HG2 VAL 644 2HG2 VAL 644 1.160 8.022 3.823 1114 3HG2 VAL 644 3HG2 VAL 644 2.903 7.936 4.071 1115 H ILE 645 H ILE 645 -0.377 12.537 2.837 1116 HA ILE 645 HA ILE 645 1.773 14.359 2.226 1117 HB ILE 645 HB ILE 645 -1.211 14.860 2.565 1118 1HG1 ILE 645 1HG1 ILE 645 -0.790 15.738 0.096 1119 2HG1 ILE 645 2HG1 ILE 645 0.627 14.737 0.205 1120 1HG2 ILE 645 1HG2 ILE 645 -0.789 17.180 1.919 1121 2HG2 ILE 645 2HG2 ILE 645 0.946 16.871 1.971 1122 3HG2 ILE 645 3HG2 ILE 645 -0.011 16.767 3.447 1123 1HD1 ILE 645 1HD1 ILE 645 -0.744 12.770 0.604 1124 2HD1 ILE 645 2HD1 ILE 645 -1.203 13.579 -0.893 1125 3HD1 ILE 645 3HD1 ILE 645 -2.191 13.770 0.544 1126 H ILE 646 H ILE 646 2.927 15.170 3.783 1127 HA ILE 646 HA ILE 646 1.935 14.823 6.501 1128 HB ILE 646 HB ILE 646 4.802 15.353 5.657 1129 1HG1 ILE 646 1HG1 ILE 646 5.161 12.919 6.396 1130 2HG1 ILE 646 2HG1 ILE 646 3.431 12.729 6.154 1131 1HG2 ILE 646 1HG2 ILE 646 4.294 15.994 7.909 1132 2HG2 ILE 646 2HG2 ILE 646 5.352 14.578 7.901 1133 3HG2 ILE 646 3HG2 ILE 646 3.634 14.396 8.249 1134 1HD1 ILE 646 1HD1 ILE 646 5.430 13.567 4.094 1135 2HD1 ILE 646 2HD1 ILE 646 3.700 13.426 3.840 1136 3HD1 ILE 646 3HD1 ILE 646 4.658 11.987 4.220 1137 H GLU 647 H GLU 647 1.130 16.573 7.260 1138 HA GLU 647 HA GLU 647 2.329 19.048 6.391 1139 1HB GLU 647 1HB GLU 647 0.047 20.058 7.048 1140 2HB GLU 647 2HB GLU 647 0.179 19.177 5.539 1141 1HG GLU 647 1HG GLU 647 -0.793 17.195 6.667 1142 2HG GLU 647 2HG GLU 647 -1.037 18.163 8.116 1143 H GLU 648 H GLU 648 2.973 20.499 7.770 1144 HA GLU 648 HA GLU 648 3.914 19.885 10.250 1145 1HB GLU 648 1HB GLU 648 3.138 22.492 8.999 1146 2HB GLU 648 2HB GLU 648 3.763 22.443 10.636 1147 1HG GLU 648 1HG GLU 648 5.485 23.003 8.978 1148 2HG GLU 648 2HG GLU 648 5.855 21.537 9.860 1149 H SER 649 H SER 649 3.176 19.991 12.333 1150 HA SER 649 HA SER 649 0.296 19.955 12.469 1151 1HB SER 649 1HB SER 649 1.682 18.087 13.493 1152 2HB SER 649 2HB SER 649 2.197 19.246 14.713 1153 HG SER 649 HG SER 649 -0.544 18.886 14.223 1154 H TYR 650 H TYR 650 0.103 22.082 12.127 1155 HA TYR 650 HA TYR 650 0.499 23.815 14.454 1156 1HB TYR 650 1HB TYR 650 1.278 25.003 12.581 1157 2HB TYR 650 2HB TYR 650 0.067 24.317 11.514 1158 HD1 TYR 650 HD1 TYR 650 0.581 26.810 14.221 1159 HD2 TYR 650 HD2 TYR 650 -1.950 25.427 11.110 1160 HE1 TYR 650 HE1 TYR 650 -0.805 28.834 14.448 1161 HE2 TYR 650 HE2 TYR 650 -3.346 27.385 11.319 1162 HH TYR 650 HH TYR 650 -3.860 29.100 12.958 1163 H GLU 651 H GLU 651 -1.863 22.732 12.102 1164 HA GLU 651 HA GLU 651 -4.012 22.590 13.989 1165 1HB GLU 651 1HB GLU 651 -3.832 25.050 13.139 1166 2HB GLU 651 2HB GLU 651 -4.186 24.420 11.552 1167 1HG GLU 651 1HG GLU 651 -6.138 25.419 12.494 1168 2HG GLU 651 2HG GLU 651 -6.448 23.711 12.386 1169 H PHE 652 H PHE 652 -5.877 22.341 11.858 1170 HA PHE 652 HA PHE 652 -4.712 20.605 9.890 1171 1HB PHE 652 1HB PHE 652 -5.424 19.267 12.062 1172 2HB PHE 652 2HB PHE 652 -7.056 19.545 11.468 1173 HD1 PHE 652 HD1 PHE 652 -7.972 18.103 9.852 1174 HD2 PHE 652 HD2 PHE 652 -3.769 18.137 10.514 1175 HE1 PHE 652 HE1 PHE 652 -7.716 16.132 8.392 1176 HE2 PHE 652 HE2 PHE 652 -3.514 16.175 9.055 1177 HZ PHE 652 HZ PHE 652 -5.493 15.173 7.994 1178 H LYS 653 H LYS 653 -6.469 20.167 8.241 1179 HA LYS 653 HA LYS 653 -8.380 22.371 8.358 1180 1HB LYS 653 1HB LYS 653 -6.924 21.271 5.944 1181 2HB LYS 653 2HB LYS 653 -8.232 22.436 5.854 1182 1HG LYS 653 1HG LYS 653 -5.885 23.112 7.560 1183 2HG LYS 653 2HG LYS 653 -5.671 23.160 5.815 1184 1HD LYS 653 1HD LYS 653 -6.238 25.378 6.674 1185 2HD LYS 653 2HD LYS 653 -7.516 24.780 5.638 1186 1HE LYS 653 1HE LYS 653 -8.457 25.911 7.556 1187 2HE LYS 653 2HE LYS 653 -8.842 24.203 7.651 1188 1HZ LYS 653 1HZ LYS 653 -7.052 23.965 9.307 1189 2HZ LYS 653 2HZ LYS 653 -8.194 25.088 9.771 1190 3HZ LYS 653 3HZ LYS 653 -6.724 25.628 9.194 1191 H SER 654 H SER 654 -8.007 19.516 6.263 1192 HA SER 654 HA SER 654 -9.460 18.058 5.419 1193 1HB SER 654 1HB SER 654 -10.986 16.864 7.074 1194 2HB SER 654 2HB SER 654 -9.291 16.901 7.524 1195 HG SER 654 HG SER 654 -10.565 19.051 8.516 1196 H THR 655 H THR 655 -10.232 20.903 5.391 1197 HA THR 655 HA THR 655 -13.094 20.906 5.433 1198 HB THR 655 HB THR 655 -12.631 23.306 4.594 1199 HG1 THR 655 HG1 THR 655 -10.416 22.794 4.000 1200 1HG2 THR 655 1HG2 THR 655 -11.605 22.428 7.303 1201 2HG2 THR 655 2HG2 THR 655 -13.287 22.784 6.906 1202 3HG2 THR 655 3HG2 THR 655 -12.081 24.069 6.868 1203 H VAL 656 H VAL 656 -14.289 20.523 3.697 1204 HA VAL 656 HA VAL 656 -12.938 20.405 1.130 1205 HB VAL 656 HB VAL 656 -14.126 18.355 1.790 1206 1HG1 VAL 656 1HG1 VAL 656 -16.555 18.266 2.010 1207 2HG1 VAL 656 2HG1 VAL 656 -16.631 20.020 1.867 1208 3HG1 VAL 656 3HG1 VAL 656 -15.815 19.283 3.246 1209 1HG2 VAL 656 1HG2 VAL 656 -15.478 19.803 -0.472 1210 2HG2 VAL 656 2HG2 VAL 656 -15.533 18.060 -0.200 1211 3HG2 VAL 656 3HG2 VAL 656 -13.997 18.850 -0.566 1212 H ASP 657 H ASP 657 -13.337 21.949 -0.359 1213 HA ASP 657 HA ASP 657 -15.313 23.961 0.462 1214 1HB ASP 657 1HB ASP 657 -12.873 24.624 0.160 1215 2HB ASP 657 2HB ASP 657 -13.110 24.350 -1.560 Start of MODEL 9 1 1H HIS 501 1H HIS 501 -4.742 -18.488 -0.569 2 HA HIS 501 HA HIS 501 -4.650 -19.613 -2.629 3 1HB HIS 501 1HB HIS 501 -6.273 -19.215 -4.416 4 2HB HIS 501 2HB HIS 501 -7.109 -19.668 -2.947 5 HD1 HIS 501 HD1 HIS 501 -8.108 -17.918 -5.577 6 HD2 HIS 501 HD2 HIS 501 -7.443 -16.558 -1.695 7 HE1 HIS 501 HE1 HIS 501 -9.533 -15.863 -5.289 8 H ALA 502 H ALA 502 -5.264 -16.334 -1.978 9 HA ALA 502 HA ALA 502 -2.931 -15.245 -2.969 10 1HB ALA 502 1HB ALA 502 -3.894 -15.634 -5.222 11 2HB ALA 502 2HB ALA 502 -3.872 -13.915 -4.843 12 3HB ALA 502 3HB ALA 502 -5.386 -14.821 -4.730 13 H GLY 503 H GLY 503 -3.860 -12.600 -3.281 14 1HA GLY 503 1HA GLY 503 -5.968 -12.240 -1.444 15 2HA GLY 503 2HA GLY 503 -4.394 -11.895 -0.746 16 H ILE 504 H ILE 504 -6.919 -10.406 -1.877 17 HA ILE 504 HA ILE 504 -5.622 -8.420 -3.483 18 HB ILE 504 HB ILE 504 -8.370 -8.485 -2.188 19 1HG1 ILE 504 1HG1 ILE 504 -9.179 -8.495 -4.622 20 2HG1 ILE 504 2HG1 ILE 504 -7.515 -8.832 -5.071 21 1HG2 ILE 504 1HG2 ILE 504 -7.309 -6.360 -4.057 22 2HG2 ILE 504 2HG2 ILE 504 -7.587 -6.180 -2.334 23 3HG2 ILE 504 3HG2 ILE 504 -8.955 -6.450 -3.419 24 1HD1 ILE 504 1HD1 ILE 504 -7.610 -10.925 -3.811 25 2HD1 ILE 504 2HD1 ILE 504 -8.862 -10.844 -5.052 26 3HD1 ILE 504 3HD1 ILE 504 -9.277 -10.569 -3.360 27 H PHE 505 H PHE 505 -4.079 -7.381 -2.377 28 HA PHE 505 HA PHE 505 -4.827 -6.242 0.215 29 1HB PHE 505 1HB PHE 505 -2.074 -6.853 -0.865 30 2HB PHE 505 2HB PHE 505 -2.414 -6.192 0.736 31 HD1 PHE 505 HD1 PHE 505 -1.477 -9.075 -0.863 32 HD2 PHE 505 HD2 PHE 505 -4.339 -7.733 1.986 33 HE1 PHE 505 HE1 PHE 505 -1.691 -11.369 -0.000 34 HE2 PHE 505 HE2 PHE 505 -4.552 -10.020 2.857 35 HZ PHE 505 HZ PHE 505 -3.227 -11.843 1.867 36 H THR 506 H THR 506 -4.972 -4.061 0.229 37 HA THR 506 HA THR 506 -3.540 -2.407 -1.653 38 HB THR 506 HB THR 506 -5.466 -3.255 -2.982 39 HG1 THR 506 HG1 THR 506 -6.105 -0.574 -2.399 40 1HG2 THR 506 1HG2 THR 506 -7.771 -2.626 -2.400 41 2HG2 THR 506 2HG2 THR 506 -7.195 -1.928 -0.889 42 3HG2 THR 506 3HG2 THR 506 -7.059 -3.666 -1.164 43 H PHE 507 H PHE 507 -4.183 -0.088 -1.207 44 HA PHE 507 HA PHE 507 -4.605 0.306 1.652 45 1HB PHE 507 1HB PHE 507 -4.091 2.307 -0.561 46 2HB PHE 507 2HB PHE 507 -4.119 2.657 1.158 47 HD1 PHE 507 HD1 PHE 507 -2.378 1.436 2.607 48 HD2 PHE 507 HD2 PHE 507 -2.120 1.795 -1.616 49 HE1 PHE 507 HE1 PHE 507 0.042 1.066 2.729 50 HE2 PHE 507 HE2 PHE 507 0.301 1.413 -1.509 51 HZ PHE 507 HZ PHE 507 1.387 1.044 0.662 52 H GLU 508 H GLU 508 -6.295 1.541 2.443 53 HA GLU 508 HA GLU 508 -8.659 1.373 0.802 54 1HB GLU 508 1HB GLU 508 -8.464 0.824 3.347 55 2HB GLU 508 2HB GLU 508 -8.563 2.562 3.559 56 1HG GLU 508 1HG GLU 508 -10.699 2.616 2.415 57 2HG GLU 508 2HG GLU 508 -10.551 0.883 2.117 58 H GLU 509 H GLU 509 -6.612 3.843 2.265 59 HA GLU 509 HA GLU 509 -8.026 5.832 0.679 60 1HB GLU 509 1HB GLU 509 -7.124 7.538 2.216 61 2HB GLU 509 2HB GLU 509 -8.082 6.354 3.094 62 1HG GLU 509 1HG GLU 509 -5.886 5.273 3.730 63 2HG GLU 509 2HG GLU 509 -5.104 6.687 3.018 64 HA PRO 510 HA PRO 510 -4.242 5.782 -1.656 65 1HB PRO 510 1HB PRO 510 -4.886 7.636 -3.497 66 2HB PRO 510 2HB PRO 510 -5.623 6.031 -3.497 67 1HG PRO 510 1HG PRO 510 -6.737 8.620 -2.489 68 2HG PRO 510 2HG PRO 510 -7.545 7.336 -3.403 69 1HD PRO 510 1HD PRO 510 -7.763 7.646 -0.686 70 2HD PRO 510 2HD PRO 510 -7.961 6.097 -1.524 71 H VAL 511 H VAL 511 -5.476 8.430 0.110 72 HA VAL 511 HA VAL 511 -2.857 9.762 0.168 73 HB VAL 511 HB VAL 511 -5.510 11.216 -0.303 74 1HG1 VAL 511 1HG1 VAL 511 -4.173 12.431 1.283 75 2HG1 VAL 511 2HG1 VAL 511 -4.203 13.273 -0.271 76 3HG1 VAL 511 3HG1 VAL 511 -2.786 12.336 0.204 77 1HG2 VAL 511 1HG2 VAL 511 -4.614 11.987 -2.353 78 2HG2 VAL 511 2HG2 VAL 511 -4.350 10.226 -2.321 79 3HG2 VAL 511 3HG2 VAL 511 -3.032 11.351 -1.952 80 H THR 512 H THR 512 -2.305 10.353 2.125 81 HA THR 512 HA THR 512 -4.394 10.613 4.104 82 HB THR 512 HB THR 512 -3.331 8.255 4.137 83 HG1 THR 512 HG1 THR 512 -4.421 8.860 5.785 84 1HG2 THR 512 1HG2 THR 512 -1.010 9.791 5.310 85 2HG2 THR 512 2HG2 THR 512 -1.026 8.922 3.773 86 3HG2 THR 512 3HG2 THR 512 -1.170 8.030 5.299 87 H HIS 513 H HIS 513 -3.958 12.275 5.548 88 HA HIS 513 HA HIS 513 -1.457 13.751 5.105 89 1HB HIS 513 1HB HIS 513 -4.194 14.723 5.979 90 2HB HIS 513 2HB HIS 513 -2.748 15.713 6.116 91 HD1 HIS 513 HD1 HIS 513 -2.531 17.323 4.203 92 HD2 HIS 513 HD2 HIS 513 -4.493 13.818 3.108 93 HE1 HIS 513 HE1 HIS 513 -3.086 17.559 1.772 94 H VAL 514 H VAL 514 -0.098 13.924 6.761 95 HA VAL 514 HA VAL 514 -1.062 12.985 9.401 96 HB VAL 514 HB VAL 514 0.951 11.723 9.792 97 1HG1 VAL 514 1HG1 VAL 514 -0.880 10.479 8.850 98 2HG1 VAL 514 2HG1 VAL 514 0.647 9.854 8.215 99 3HG1 VAL 514 3HG1 VAL 514 -0.364 10.898 7.218 100 1HG2 VAL 514 1HG2 VAL 514 2.597 11.281 8.004 101 2HG2 VAL 514 2HG2 VAL 514 2.525 12.984 8.456 102 3HG2 VAL 514 3HG2 VAL 514 1.752 12.436 6.970 103 H SER 515 H SER 515 0.190 13.451 11.140 104 HA SER 515 HA SER 515 0.807 16.191 11.205 105 1HB SER 515 1HB SER 515 1.018 13.940 13.174 106 2HB SER 515 2HB SER 515 1.096 15.668 13.564 107 HG SER 515 HG SER 515 -1.056 14.075 12.724 108 H GLU 516 H GLU 516 2.835 17.042 11.716 109 HA GLU 516 HA GLU 516 5.141 15.729 10.681 110 1HB GLU 516 1HB GLU 516 4.884 18.090 10.439 111 2HB GLU 516 2HB GLU 516 4.763 18.300 12.181 112 1HG GLU 516 1HG GLU 516 7.077 17.257 12.266 113 2HG GLU 516 2HG GLU 516 7.148 17.584 10.542 114 H SER 517 H SER 517 4.089 16.660 13.942 115 HA SER 517 HA SER 517 6.612 15.751 15.062 116 1HB SER 517 1HB SER 517 4.279 17.193 16.345 117 2HB SER 517 2HB SER 517 5.855 16.903 17.082 118 HG SER 517 HG SER 517 6.790 18.183 15.403 119 H ILE 518 H ILE 518 5.028 13.844 14.010 120 HA ILE 518 HA ILE 518 3.827 12.416 16.270 121 HB ILE 518 HB ILE 518 2.476 12.894 14.168 122 1HG1 ILE 518 1HG1 ILE 518 2.886 9.968 14.721 123 2HG1 ILE 518 2HG1 ILE 518 1.953 11.048 15.770 124 1HG2 ILE 518 1HG2 ILE 518 2.875 11.454 12.216 125 2HG2 ILE 518 2HG2 ILE 518 4.375 10.889 12.959 126 3HG2 ILE 518 3HG2 ILE 518 4.195 12.584 12.505 127 1HD1 ILE 518 1HD1 ILE 518 1.424 10.343 12.921 128 2HD1 ILE 518 2HD1 ILE 518 0.595 11.600 13.828 129 3HD1 ILE 518 3HD1 ILE 518 0.453 9.891 14.345 130 H GLY 519 H GLY 519 4.566 10.165 16.432 131 1HA GLY 519 1HA GLY 519 7.333 9.938 15.586 132 2HA GLY 519 2HA GLY 519 6.463 8.878 16.695 133 H ILE 520 H ILE 520 4.425 7.971 15.457 134 HA ILE 520 HA ILE 520 5.450 6.687 13.027 135 HB ILE 520 HB ILE 520 4.074 5.413 15.410 136 1HG1 ILE 520 1HG1 ILE 520 6.513 5.673 15.646 137 2HG1 ILE 520 2HG1 ILE 520 6.042 3.981 15.571 138 1HG2 ILE 520 1HG2 ILE 520 3.074 4.485 13.431 139 2HG2 ILE 520 2HG2 ILE 520 4.107 3.284 14.209 140 3HG2 ILE 520 3HG2 ILE 520 4.663 4.124 12.759 141 1HD1 ILE 520 1HD1 ILE 520 6.706 3.953 13.190 142 2HD1 ILE 520 2HD1 ILE 520 8.041 4.327 14.280 143 3HD1 ILE 520 3HD1 ILE 520 7.265 5.614 13.357 144 H MET 521 H MET 521 4.018 6.628 11.406 145 HA MET 521 HA MET 521 1.197 6.981 12.090 146 1HB MET 521 1HB MET 521 0.773 7.973 9.851 147 2HB MET 521 2HB MET 521 1.993 8.901 10.692 148 1HG MET 521 1HG MET 521 2.706 8.832 8.474 149 2HG MET 521 2HG MET 521 3.673 7.583 9.250 150 1HE MET 521 1HE MET 521 2.967 8.000 5.969 151 2HE MET 521 2HE MET 521 2.925 6.311 5.522 152 3HE MET 521 3HE MET 521 4.181 6.901 6.603 153 H GLU 522 H GLU 522 -0.148 5.409 11.563 154 HA GLU 522 HA GLU 522 1.096 3.090 10.281 155 1HB GLU 522 1HB GLU 522 -1.201 3.067 12.235 156 2HB GLU 522 2HB GLU 522 -0.373 1.682 11.564 157 1HG GLU 522 1HG GLU 522 0.619 1.727 13.589 158 2HG GLU 522 2HG GLU 522 1.695 2.853 12.762 159 H VAL 523 H VAL 523 0.287 2.556 8.430 160 HA VAL 523 HA VAL 523 -2.364 3.565 7.680 161 HB VAL 523 HB VAL 523 -0.216 2.407 5.908 162 1HG1 VAL 523 1HG1 VAL 523 -1.533 3.376 4.072 163 2HG1 VAL 523 2HG1 VAL 523 -2.732 3.939 5.230 164 3HG1 VAL 523 3HG1 VAL 523 -2.487 2.210 4.989 165 1HG2 VAL 523 1HG2 VAL 523 0.421 4.498 7.070 166 2HG2 VAL 523 2HG2 VAL 523 -0.961 5.300 6.297 167 3HG2 VAL 523 3HG2 VAL 523 0.348 4.629 5.322 168 H LYS 524 H LYS 524 -4.007 2.238 7.521 169 HA LYS 524 HA LYS 524 -3.724 -0.574 7.994 170 1HB LYS 524 1HB LYS 524 -6.089 1.228 7.548 171 2HB LYS 524 2HB LYS 524 -6.263 -0.511 7.715 172 1HG LYS 524 1HG LYS 524 -4.823 1.121 9.748 173 2HG LYS 524 2HG LYS 524 -6.583 0.917 9.821 174 1HD LYS 524 1HD LYS 524 -6.323 -1.470 9.987 175 2HD LYS 524 2HD LYS 524 -4.589 -1.356 9.710 176 1HE LYS 524 1HE LYS 524 -5.123 -1.750 12.055 177 2HE LYS 524 2HE LYS 524 -4.315 -0.205 11.818 178 1HZ LYS 524 1HZ LYS 524 -7.235 -0.592 12.221 179 2HZ LYS 524 2HZ LYS 524 -6.455 0.896 12.009 180 3HZ LYS 524 3HZ LYS 524 -6.118 -0.051 13.358 181 H VAL 525 H VAL 525 -3.889 -2.187 6.649 182 HA VAL 525 HA VAL 525 -4.296 -1.595 3.776 183 HB VAL 525 HB VAL 525 -2.742 -3.924 4.939 184 1HG1 VAL 525 1HG1 VAL 525 -2.813 -2.786 2.152 185 2HG1 VAL 525 2HG1 VAL 525 -3.559 -4.298 2.674 186 3HG1 VAL 525 3HG1 VAL 525 -1.800 -4.134 2.677 187 1HG2 VAL 525 1HG2 VAL 525 -1.637 -1.885 5.569 188 2HG2 VAL 525 2HG2 VAL 525 -1.665 -1.319 3.898 189 3HG2 VAL 525 3HG2 VAL 525 -0.698 -2.730 4.340 190 H LEU 526 H LEU 526 -5.681 -2.927 2.642 191 HA LEU 526 HA LEU 526 -7.689 -4.198 4.176 192 1HB LEU 526 1HB LEU 526 -7.315 -3.996 1.204 193 2HB LEU 526 2HB LEU 526 -8.616 -4.926 1.910 194 HG LEU 526 HG LEU 526 -9.481 -2.814 1.224 195 1HD1 LEU 526 1HD1 LEU 526 -9.156 -2.821 4.203 196 2HD1 LEU 526 2HD1 LEU 526 -10.418 -3.648 3.280 197 3HD1 LEU 526 3HD1 LEU 526 -10.330 -1.881 3.294 198 1HD2 LEU 526 1HD2 LEU 526 -7.394 -1.512 2.936 199 2HD2 LEU 526 2HD2 LEU 526 -8.671 -0.704 2.017 200 3HD2 LEU 526 3HD2 LEU 526 -7.391 -1.570 1.176 201 H ARG 527 H ARG 527 -8.604 -6.272 3.483 202 HA ARG 527 HA ARG 527 -6.544 -8.312 3.866 203 1HB ARG 527 1HB ARG 527 -8.196 -7.912 5.653 204 2HB ARG 527 2HB ARG 527 -9.486 -8.217 4.517 205 1HG ARG 527 1HG ARG 527 -9.384 -10.191 5.709 206 2HG ARG 527 2HG ARG 527 -8.401 -10.557 4.301 207 1HD ARG 527 1HD ARG 527 -7.112 -9.460 6.734 208 2HD ARG 527 2HD ARG 527 -7.608 -11.139 6.740 209 HE ARG 527 HE ARG 527 -5.717 -10.021 4.771 210 1HH1 ARG 527 1HH1 ARG 527 -6.706 -12.609 7.059 211 2HH1 ARG 527 2HH1 ARG 527 -5.223 -13.427 6.960 212 1HH2 ARG 527 1HH2 ARG 527 -3.645 -11.349 4.622 213 2HH2 ARG 527 2HH2 ARG 527 -3.567 -12.752 5.603 214 H THR 528 H THR 528 -6.941 -10.323 2.825 215 HA THR 528 HA THR 528 -7.857 -10.233 0.156 216 HB THR 528 HB THR 528 -5.968 -11.585 0.672 217 HG1 THR 528 HG1 THR 528 -6.713 -13.732 0.059 218 1HG2 THR 528 1HG2 THR 528 -7.669 -13.052 2.683 219 2HG2 THR 528 2HG2 THR 528 -6.328 -11.964 3.045 220 3HG2 THR 528 3HG2 THR 528 -6.027 -13.492 2.219 221 H SER 529 H SER 529 -9.504 -11.743 -0.703 222 HA SER 529 HA SER 529 -11.883 -11.769 0.923 223 1HB SER 529 1HB SER 529 -11.856 -11.051 -1.498 224 2HB SER 529 2HB SER 529 -11.434 -12.699 -1.939 225 HG SER 529 HG SER 529 -13.691 -12.415 -0.340 226 H GLY 530 H GLY 530 -9.266 -13.767 0.254 227 1HA GLY 530 1HA GLY 530 -10.557 -16.019 1.583 228 2HA GLY 530 2HA GLY 530 -9.792 -16.314 0.021 229 H ALA 531 H ALA 531 -9.278 -15.915 3.373 230 HA ALA 531 HA ALA 531 -6.445 -15.427 3.026 231 1HB ALA 531 1HB ALA 531 -7.610 -14.170 4.763 232 2HB ALA 531 2HB ALA 531 -6.344 -15.193 5.442 233 3HB ALA 531 3HB ALA 531 -8.033 -15.678 5.571 234 H ARG 532 H ARG 532 -5.830 -17.312 2.101 235 HA ARG 532 HA ARG 532 -5.333 -19.404 4.046 236 1HB ARG 532 1HB ARG 532 -6.297 -19.815 1.210 237 2HB ARG 532 2HB ARG 532 -5.498 -21.069 2.138 238 1HG ARG 532 1HG ARG 532 -8.134 -19.758 2.792 239 2HG ARG 532 2HG ARG 532 -7.892 -21.400 2.188 240 1HD ARG 532 1HD ARG 532 -6.439 -21.761 4.234 241 2HD ARG 532 2HD ARG 532 -7.086 -20.251 4.837 242 HE ARG 532 HE ARG 532 -9.166 -21.994 4.043 243 1HH1 ARG 532 1HH1 ARG 532 -7.071 -21.124 6.744 244 2HH1 ARG 532 2HH1 ARG 532 -7.878 -22.059 7.899 245 1HH2 ARG 532 1HH2 ARG 532 -10.361 -23.261 5.635 246 2HH2 ARG 532 2HH2 ARG 532 -9.823 -23.314 7.241 247 H GLY 533 H GLY 533 -3.241 -18.863 4.353 248 1HA GLY 533 1HA GLY 533 -1.130 -19.707 3.363 249 2HA GLY 533 2HA GLY 533 -1.603 -18.819 1.924 250 H ASN 534 H ASN 534 0.757 -18.558 3.500 251 HA ASN 534 HA ASN 534 0.419 -15.868 4.561 252 1HB ASN 534 1HB ASN 534 1.661 -17.438 5.994 253 2HB ASN 534 2HB ASN 534 2.812 -17.723 4.696 254 1HD2 ASN 534 1HD2 ASN 534 1.523 -14.500 5.466 255 2HD2 ASN 534 2HD2 ASN 534 3.022 -13.910 6.070 256 H VAL 535 H VAL 535 0.795 -14.218 3.387 257 HA VAL 535 HA VAL 535 2.562 -14.436 1.072 258 HB VAL 535 HB VAL 535 -0.037 -12.878 1.315 259 1HG1 VAL 535 1HG1 VAL 535 1.627 -11.610 0.029 260 2HG1 VAL 535 2HG1 VAL 535 0.350 -12.221 -1.032 261 3HG1 VAL 535 3HG1 VAL 535 1.916 -13.031 -0.975 262 1HG2 VAL 535 1HG2 VAL 535 -0.713 -14.341 -0.592 263 2HG2 VAL 535 2HG2 VAL 535 -0.435 -15.197 0.934 264 3HG2 VAL 535 3HG2 VAL 535 0.800 -15.226 -0.324 265 H ILE 536 H ILE 536 4.012 -12.881 0.895 266 HA ILE 536 HA ILE 536 4.070 -10.850 2.993 267 HB ILE 536 HB ILE 536 6.292 -11.892 1.213 268 1HG1 ILE 536 1HG1 ILE 536 5.693 -13.519 2.879 269 2HG1 ILE 536 2HG1 ILE 536 7.231 -12.783 3.326 270 1HG2 ILE 536 1HG2 ILE 536 6.384 -9.908 3.450 271 2HG2 ILE 536 2HG2 ILE 536 6.623 -9.558 1.736 272 3HG2 ILE 536 3HG2 ILE 536 7.787 -10.561 2.606 273 1HD1 ILE 536 1HD1 ILE 536 5.852 -13.033 5.284 274 2HD1 ILE 536 2HD1 ILE 536 4.532 -12.205 4.450 275 3HD1 ILE 536 3HD1 ILE 536 5.984 -11.308 4.873 276 H VAL 537 H VAL 537 3.939 -8.817 2.480 277 HA VAL 537 HA VAL 537 3.948 -8.146 -0.367 278 HB VAL 537 HB VAL 537 2.218 -6.834 1.767 279 1HG1 VAL 537 1HG1 VAL 537 2.366 -6.277 -1.197 280 2HG1 VAL 537 2HG1 VAL 537 2.937 -5.214 0.086 281 3HG1 VAL 537 3HG1 VAL 537 1.213 -5.556 -0.074 282 1HG2 VAL 537 1HG2 VAL 537 0.321 -7.779 0.543 283 2HG2 VAL 537 2HG2 VAL 537 1.409 -9.062 1.084 284 3HG2 VAL 537 3HG2 VAL 537 1.424 -8.536 -0.599 285 HA PRO 538 HA PRO 538 7.318 -5.547 1.180 286 1HB PRO 538 1HB PRO 538 8.330 -4.915 -1.240 287 2HB PRO 538 2HB PRO 538 8.633 -6.480 -0.483 288 1HG PRO 538 1HG PRO 538 6.685 -5.755 -2.620 289 2HG PRO 538 2HG PRO 538 7.699 -7.202 -2.471 290 1HD PRO 538 1HD PRO 538 5.049 -7.133 -1.828 291 2HD PRO 538 2HD PRO 538 6.207 -8.247 -1.075 292 H TYR 539 H TYR 539 7.743 -3.346 1.186 293 HA TYR 539 HA TYR 539 6.137 -1.527 -0.383 294 1HB TYR 539 1HB TYR 539 5.179 -0.395 1.594 295 2HB TYR 539 2HB TYR 539 4.634 -2.067 1.502 296 HD1 TYR 539 HD1 TYR 539 6.662 0.322 3.386 297 HD2 TYR 539 HD2 TYR 539 5.369 -3.710 3.106 298 HE1 TYR 539 HE1 TYR 539 7.471 -0.070 5.637 299 HE2 TYR 539 HE2 TYR 539 6.172 -4.135 5.374 300 HH TYR 539 HH TYR 539 7.094 -1.673 7.489 301 H LYS 540 H LYS 540 6.867 0.680 -0.040 302 HA LYS 540 HA LYS 540 9.135 1.180 1.590 303 1HB LYS 540 1HB LYS 540 10.809 1.583 -0.048 304 2HB LYS 540 2HB LYS 540 10.172 -0.010 -0.392 305 1HG LYS 540 1HG LYS 540 9.580 2.539 -1.900 306 2HG LYS 540 2HG LYS 540 10.612 1.224 -2.443 307 1HD LYS 540 1HD LYS 540 8.607 -0.260 -2.411 308 2HD LYS 540 2HD LYS 540 7.647 1.158 -1.981 309 1HE LYS 540 1HE LYS 540 7.433 0.870 -4.352 310 2HE LYS 540 2HE LYS 540 8.497 2.247 -4.052 311 1HZ LYS 540 1HZ LYS 540 9.353 0.798 -5.793 312 2HZ LYS 540 2HZ LYS 540 9.415 -0.485 -4.712 313 3HZ LYS 540 3HZ LYS 540 10.410 0.838 -4.475 314 H THR 541 H THR 541 9.577 3.280 1.774 315 HA THR 541 HA THR 541 7.626 5.185 0.914 316 HB THR 541 HB THR 541 9.317 6.771 2.040 317 HG1 THR 541 HG1 THR 541 10.977 5.038 1.857 318 1HG2 THR 541 1HG2 THR 541 8.029 4.540 3.624 319 2HG2 THR 541 2HG2 THR 541 7.266 6.058 3.151 320 3HG2 THR 541 3HG2 THR 541 8.601 6.064 4.303 321 H ILE 542 H ILE 542 7.703 6.153 -1.018 322 HA ILE 542 HA ILE 542 10.256 6.540 -2.362 323 HB ILE 542 HB ILE 542 7.450 7.327 -3.237 324 1HG1 ILE 542 1HG1 ILE 542 7.878 5.606 -5.119 325 2HG1 ILE 542 2HG1 ILE 542 9.180 5.009 -4.107 326 1HG2 ILE 542 1HG2 ILE 542 9.013 8.863 -4.178 327 2HG2 ILE 542 2HG2 ILE 542 8.412 7.806 -5.456 328 3HG2 ILE 542 3HG2 ILE 542 10.023 7.546 -4.783 329 1HD1 ILE 542 1HD1 ILE 542 6.285 5.145 -3.327 330 2HD1 ILE 542 2HD1 ILE 542 7.591 4.452 -2.364 331 3HD1 ILE 542 3HD1 ILE 542 7.119 3.703 -3.894 332 H GLU 543 H GLU 543 11.318 8.342 -1.903 333 HA GLU 543 HA GLU 543 10.682 10.172 0.016 334 1HB GLU 543 1HB GLU 543 12.409 10.934 -2.333 335 2HB GLU 543 2HB GLU 543 12.508 11.524 -0.692 336 1HG GLU 543 1HG GLU 543 14.317 10.086 -0.845 337 2HG GLU 543 2HG GLU 543 13.092 9.071 -0.090 338 H GLY 544 H GLY 544 10.461 10.846 -3.477 339 1HA GLY 544 1HA GLY 544 8.988 12.188 -4.628 340 2HA GLY 544 2HA GLY 544 8.058 12.361 -3.141 341 H THR 545 H THR 545 8.246 14.151 -2.003 342 HA THR 545 HA THR 545 10.401 16.001 -2.733 343 HB THR 545 HB THR 545 8.219 16.867 -3.541 344 HG1 THR 545 HG1 THR 545 8.523 18.872 -2.871 345 1HG2 THR 545 1HG2 THR 545 7.414 16.862 -0.636 346 2HG2 THR 545 2HG2 THR 545 6.750 15.821 -1.892 347 3HG2 THR 545 3HG2 THR 545 6.477 17.565 -1.954 348 H ALA 546 H ALA 546 9.347 13.978 -0.392 349 HA ALA 546 HA ALA 546 10.206 15.567 1.846 350 1HB ALA 546 1HB ALA 546 9.711 13.560 3.125 351 2HB ALA 546 2HB ALA 546 9.485 12.649 1.633 352 3HB ALA 546 3HB ALA 546 8.351 13.927 2.054 353 H ARG 547 H ARG 547 12.165 15.231 2.876 354 HA ARG 547 HA ARG 547 14.176 13.911 1.255 355 1HB ARG 547 1HB ARG 547 14.539 16.211 2.202 356 2HB ARG 547 2HB ARG 547 14.466 15.506 3.808 357 1HG ARG 547 1HG ARG 547 16.751 15.875 3.213 358 2HG ARG 547 2HG ARG 547 16.406 14.143 3.281 359 1HD ARG 547 1HD ARG 547 16.263 14.030 0.898 360 2HD ARG 547 2HD ARG 547 16.499 15.773 0.768 361 HE ARG 547 HE ARG 547 18.681 15.142 2.080 362 1HH1 ARG 547 1HH1 ARG 547 17.286 13.421 -0.666 363 2HH1 ARG 547 2HH1 ARG 547 18.755 12.844 -1.270 364 1HH2 ARG 547 1HH2 ARG 547 20.747 14.352 1.247 365 2HH2 ARG 547 2HH2 ARG 547 20.783 13.397 -0.166 366 H GLY 548 H GLY 548 14.744 11.862 1.662 367 1HA GLY 548 1HA GLY 548 13.666 10.574 4.022 368 2HA GLY 548 2HA GLY 548 14.419 9.785 2.648 369 H GLY 549 H GLY 549 15.059 8.827 4.981 370 1HA GLY 549 1HA GLY 549 17.073 8.063 5.842 371 2HA GLY 549 2HA GLY 549 17.890 9.410 5.071 372 H GLY 550 H GLY 550 15.101 9.712 7.269 373 1HA GLY 550 1HA GLY 550 15.127 10.212 9.515 374 2HA GLY 550 2HA GLY 550 16.875 10.347 9.453 375 H GLU 551 H GLU 551 15.439 12.077 6.944 376 HA GLU 551 HA GLU 551 16.003 14.572 8.347 377 1HB GLU 551 1HB GLU 551 15.216 14.093 5.476 378 2HB GLU 551 2HB GLU 551 15.776 15.610 6.157 379 1HG GLU 551 1HG GLU 551 17.376 13.085 5.997 380 2HG GLU 551 2HG GLU 551 17.457 14.426 4.854 381 H ASP 552 H ASP 552 13.503 13.731 5.979 382 HA ASP 552 HA ASP 552 11.514 15.122 7.627 383 1HB ASP 552 1HB ASP 552 11.432 14.197 4.738 384 2HB ASP 552 2HB ASP 552 9.987 14.718 5.587 385 H PHE 553 H PHE 553 12.447 12.043 6.414 386 HA PHE 553 HA PHE 553 10.625 10.837 8.268 387 1HB PHE 553 1HB PHE 553 9.630 9.299 6.726 388 2HB PHE 553 2HB PHE 553 9.322 10.939 6.193 389 HD1 PHE 553 HD1 PHE 553 10.842 7.774 5.423 390 HD2 PHE 553 HD2 PHE 553 10.478 11.804 4.185 391 HE1 PHE 553 HE1 PHE 553 11.651 7.146 3.188 392 HE2 PHE 553 HE2 PHE 553 11.287 11.195 1.935 393 HZ PHE 553 HZ PHE 553 11.868 8.853 1.442 394 H GLU 554 H GLU 554 11.122 8.747 8.714 395 HA GLU 554 HA GLU 554 13.886 7.997 8.458 396 1HB GLU 554 1HB GLU 554 12.282 7.853 10.452 397 2HB GLU 554 2HB GLU 554 11.496 6.559 9.599 398 1HG GLU 554 1HG GLU 554 14.324 6.606 10.588 399 2HG GLU 554 2HG GLU 554 12.970 5.817 11.366 400 H ASP 555 H ASP 555 14.510 6.681 6.718 401 HA ASP 555 HA ASP 555 12.606 6.112 4.730 402 1HB ASP 555 1HB ASP 555 14.250 4.864 3.523 403 2HB ASP 555 2HB ASP 555 14.879 6.452 3.985 404 H THR 556 H THR 556 11.322 4.589 4.360 405 HA THR 556 HA THR 556 11.511 2.347 6.166 406 HB THR 556 HB THR 556 9.141 3.973 5.308 407 HG1 THR 556 HG1 THR 556 10.531 4.828 6.987 408 1HG2 THR 556 1HG2 THR 556 9.415 1.505 6.920 409 2HG2 THR 556 2HG2 THR 556 8.500 1.772 5.407 410 3HG2 THR 556 3HG2 THR 556 7.971 2.537 6.949 411 H CYS 557 H CYS 557 11.936 0.593 4.987 412 HA CYS 557 HA CYS 557 10.165 -0.072 2.812 413 1HB CYS 557 1HB CYS 557 12.097 -0.884 1.436 414 2HB CYS 557 2HB CYS 557 12.063 0.866 1.612 415 HG CYS 557 HG CYS 557 13.913 -0.822 3.839 416 H GLY 558 H GLY 558 9.553 -2.160 3.000 417 1HA GLY 558 1HA GLY 558 11.175 -4.074 4.298 418 2HA GLY 558 2HA GLY 558 9.900 -3.479 5.358 419 H GLU 559 H GLU 559 8.939 -5.513 5.376 420 HA GLU 559 HA GLU 559 7.328 -6.101 3.040 421 1HB GLU 559 1HB GLU 559 9.272 -7.955 4.362 422 2HB GLU 559 2HB GLU 559 7.921 -8.551 3.404 423 1HG GLU 559 1HG GLU 559 8.826 -7.428 1.443 424 2HG GLU 559 2HG GLU 559 10.145 -6.770 2.412 425 H LEU 560 H LEU 560 5.305 -6.440 3.670 426 HA LEU 560 HA LEU 560 4.701 -6.776 6.485 427 1HB LEU 560 1HB LEU 560 2.952 -6.321 4.082 428 2HB LEU 560 2HB LEU 560 2.327 -6.579 5.692 429 HG LEU 560 HG LEU 560 4.058 -4.261 4.842 430 1HD1 LEU 560 1HD1 LEU 560 2.018 -2.963 5.125 431 2HD1 LEU 560 2HD1 LEU 560 1.118 -4.449 5.428 432 3HD1 LEU 560 3HD1 LEU 560 1.856 -4.168 3.846 433 1HD2 LEU 560 1HD2 LEU 560 4.393 -4.792 7.196 434 2HD2 LEU 560 2HD2 LEU 560 2.654 -4.870 7.445 435 3HD2 LEU 560 3HD2 LEU 560 3.414 -3.330 7.044 436 H GLU 561 H GLU 561 3.904 -8.535 7.368 437 HA GLU 561 HA GLU 561 3.751 -10.921 5.735 438 1HB GLU 561 1HB GLU 561 5.200 -10.971 7.721 439 2HB GLU 561 2HB GLU 561 3.829 -10.568 8.736 440 1HG GLU 561 1HG GLU 561 2.770 -12.696 8.169 441 2HG GLU 561 2HG GLU 561 4.130 -13.079 7.113 442 H PHE 562 H PHE 562 1.780 -11.217 4.878 443 HA PHE 562 HA PHE 562 -0.546 -10.908 6.641 444 1HB PHE 562 1HB PHE 562 -0.173 -10.736 3.699 445 2HB PHE 562 2HB PHE 562 -1.669 -11.437 4.284 446 HD1 PHE 562 HD1 PHE 562 -0.135 -8.483 3.264 447 HD2 PHE 562 HD2 PHE 562 -2.848 -10.011 6.166 448 HE1 PHE 562 HE1 PHE 562 -1.154 -6.253 3.482 449 HE2 PHE 562 HE2 PHE 562 -3.878 -7.789 6.384 450 HZ PHE 562 HZ PHE 562 -3.039 -5.912 5.043 451 H GLN 563 H GLN 563 -1.190 -12.778 7.533 452 HA GLN 563 HA GLN 563 -0.765 -15.141 5.862 453 1HB GLN 563 1HB GLN 563 -0.533 -16.475 8.010 454 2HB GLN 563 2HB GLN 563 0.803 -15.414 7.592 455 1HG GLN 563 1HG GLN 563 0.078 -13.801 9.196 456 2HG GLN 563 2HG GLN 563 -1.370 -14.745 9.544 457 1HE2 GLN 563 1HE2 GLN 563 1.772 -16.258 9.051 458 2HE2 GLN 563 2HE2 GLN 563 1.967 -16.717 10.693 459 H ASN 564 H ASN 564 -2.075 -17.066 7.058 460 HA ASN 564 HA ASN 564 -4.749 -16.693 6.363 461 1HB ASN 564 1HB ASN 564 -3.826 -18.895 6.384 462 2HB ASN 564 2HB ASN 564 -3.324 -18.748 8.058 463 1HD2 ASN 564 1HD2 ASN 564 -4.837 -19.160 9.689 464 2HD2 ASN 564 2HD2 ASN 564 -6.361 -19.865 9.365 465 H ASP 565 H ASP 565 -3.159 -16.739 9.473 466 HA ASP 565 HA ASP 565 -5.565 -16.163 10.939 467 1HB ASP 565 1HB ASP 565 -3.693 -17.481 11.903 468 2HB ASP 565 2HB ASP 565 -2.706 -16.024 11.902 469 H GLU 566 H GLU 566 -2.503 -14.353 10.804 470 HA GLU 566 HA GLU 566 -3.465 -11.981 11.829 471 1HB GLU 566 1HB GLU 566 -1.030 -12.454 11.662 472 2HB GLU 566 2HB GLU 566 -1.188 -12.322 9.907 473 1HG GLU 566 1HG GLU 566 -1.332 -10.089 9.891 474 2HG GLU 566 2HG GLU 566 -2.062 -10.000 11.484 475 H ILE 567 H ILE 567 -4.999 -10.742 11.137 476 HA ILE 567 HA ILE 567 -5.226 -10.266 8.283 477 HB ILE 567 HB ILE 567 -7.411 -9.329 8.721 478 1HG1 ILE 567 1HG1 ILE 567 -7.205 -9.853 11.660 479 2HG1 ILE 567 2HG1 ILE 567 -6.564 -8.347 11.002 480 1HG2 ILE 567 1HG2 ILE 567 -7.297 -11.790 8.660 481 2HG2 ILE 567 2HG2 ILE 567 -8.613 -11.200 9.672 482 3HG2 ILE 567 3HG2 ILE 567 -7.134 -11.808 10.417 483 1HD1 ILE 567 1HD1 ILE 567 -8.847 -8.100 11.829 484 2HD1 ILE 567 2HD1 ILE 567 -9.389 -9.322 10.659 485 3HD1 ILE 567 3HD1 ILE 567 -8.673 -7.799 10.102 486 H VAL 568 H VAL 568 -5.784 -7.968 7.878 487 HA VAL 568 HA VAL 568 -4.896 -5.960 7.540 488 HB VAL 568 HB VAL 568 -6.820 -5.861 9.158 489 1HG1 VAL 568 1HG1 VAL 568 -6.422 -4.692 11.284 490 2HG1 VAL 568 2HG1 VAL 568 -4.692 -4.853 10.962 491 3HG1 VAL 568 3HG1 VAL 568 -5.666 -6.306 11.237 492 1HG2 VAL 568 1HG2 VAL 568 -6.707 -3.403 9.265 493 2HG2 VAL 568 2HG2 VAL 568 -6.252 -4.053 7.688 494 3HG2 VAL 568 3HG2 VAL 568 -5.009 -3.492 8.803 495 H LYS 569 H LYS 569 -3.177 -4.944 7.326 496 HA LYS 569 HA LYS 569 -1.139 -5.141 9.404 497 1HB LYS 569 1HB LYS 569 -0.728 -5.122 6.425 498 2HB LYS 569 2HB LYS 569 0.570 -4.932 7.597 499 1HG LYS 569 1HG LYS 569 -1.233 -7.326 7.317 500 2HG LYS 569 2HG LYS 569 0.436 -7.217 6.762 501 1HD LYS 569 1HD LYS 569 -0.403 -6.887 9.642 502 2HD LYS 569 2HD LYS 569 0.124 -8.402 8.947 503 1HE LYS 569 1HE LYS 569 2.236 -7.335 8.320 504 2HE LYS 569 2HE LYS 569 1.657 -5.867 9.115 505 1HZ LYS 569 1HZ LYS 569 1.659 -6.960 11.222 506 2HZ LYS 569 2HZ LYS 569 3.152 -7.353 10.528 507 3HZ LYS 569 3HZ LYS 569 1.872 -8.465 10.510 508 H THR 570 H THR 570 0.286 -3.479 9.547 509 HA THR 570 HA THR 570 -0.748 -0.941 8.529 510 HB THR 570 HB THR 570 0.208 -0.057 10.763 511 HG1 THR 570 HG1 THR 570 0.924 -2.183 11.412 512 1HG2 THR 570 1HG2 THR 570 -2.121 0.175 10.091 513 2HG2 THR 570 2HG2 THR 570 -2.022 -0.251 11.801 514 3HG2 THR 570 3HG2 THR 570 -2.449 -1.478 10.607 515 H ILE 571 H ILE 571 0.713 0.145 7.470 516 HA ILE 571 HA ILE 571 3.512 -0.537 7.802 517 HB ILE 571 HB ILE 571 2.313 1.665 6.052 518 1HG1 ILE 571 1HG1 ILE 571 3.158 0.170 4.148 519 2HG1 ILE 571 2HG1 ILE 571 3.264 -1.107 5.349 520 1HG2 ILE 571 1HG2 ILE 571 5.123 0.608 6.131 521 2HG2 ILE 571 2HG2 ILE 571 4.575 2.158 6.758 522 3HG2 ILE 571 3HG2 ILE 571 4.500 1.830 5.022 523 1HD1 ILE 571 1HD1 ILE 571 0.903 -0.949 5.748 524 2HD1 ILE 571 2HD1 ILE 571 1.239 -1.221 4.033 525 3HD1 ILE 571 3HD1 ILE 571 0.777 0.388 4.603 526 H SER 572 H SER 572 4.459 0.240 9.517 527 HA SER 572 HA SER 572 3.591 2.746 10.638 528 1HB SER 572 1HB SER 572 5.272 1.867 12.431 529 2HB SER 572 2HB SER 572 3.702 1.078 12.253 530 HG SER 572 HG SER 572 6.234 0.120 11.721 531 H VAL 573 H VAL 573 4.592 4.474 9.810 532 HA VAL 573 HA VAL 573 7.436 4.226 9.044 533 HB VAL 573 HB VAL 573 5.428 6.276 8.066 534 1HG1 VAL 573 1HG1 VAL 573 7.145 6.902 6.411 535 2HG1 VAL 573 2HG1 VAL 573 8.266 5.773 7.172 536 3HG1 VAL 573 3HG1 VAL 573 7.685 7.171 8.070 537 1HG2 VAL 573 1HG2 VAL 573 5.580 5.130 5.885 538 2HG2 VAL 573 2HG2 VAL 573 4.877 4.128 7.149 539 3HG2 VAL 573 3HG2 VAL 573 6.542 3.858 6.640 540 H LYS 574 H LYS 574 8.890 5.508 10.090 541 HA LYS 574 HA LYS 574 7.831 7.172 12.182 542 1HB LYS 574 1HB LYS 574 9.730 5.727 12.676 543 2HB LYS 574 2HB LYS 574 10.685 6.506 11.428 544 1HG LYS 574 1HG LYS 574 10.514 8.632 12.691 545 2HG LYS 574 2HG LYS 574 9.671 7.764 13.971 546 1HD LYS 574 1HD LYS 574 12.430 7.119 12.966 547 2HD LYS 574 2HD LYS 574 12.102 8.067 14.419 548 1HE LYS 574 1HE LYS 574 10.905 6.091 15.352 549 2HE LYS 574 2HE LYS 574 11.370 5.176 13.921 550 1HZ LYS 574 1HZ LYS 574 13.708 5.546 14.513 551 2HZ LYS 574 2HZ LYS 574 12.888 4.740 15.737 552 3HZ LYS 574 3HZ LYS 574 13.246 6.360 15.906 553 H VAL 575 H VAL 575 7.367 9.128 11.900 554 HA VAL 575 HA VAL 575 8.293 10.610 9.571 555 HB VAL 575 HB VAL 575 6.285 11.335 11.738 556 1HG1 VAL 575 1HG1 VAL 575 6.838 12.664 9.076 557 2HG1 VAL 575 2HG1 VAL 575 7.230 13.322 10.663 558 3HG1 VAL 575 3HG1 VAL 575 5.544 13.108 10.190 559 1HG2 VAL 575 1HG2 VAL 575 5.821 10.314 8.934 560 2HG2 VAL 575 2HG2 VAL 575 4.562 10.868 10.039 561 3HG2 VAL 575 3HG2 VAL 575 5.515 9.436 10.432 562 H ILE 576 H ILE 576 9.539 12.562 9.833 563 HA ILE 576 HA ILE 576 10.732 12.717 12.495 564 HB ILE 576 HB ILE 576 12.039 13.593 9.906 565 1HG1 ILE 576 1HG1 ILE 576 11.686 11.155 9.845 566 2HG1 ILE 576 2HG1 ILE 576 13.394 11.515 9.973 567 1HG2 ILE 576 1HG2 ILE 576 14.102 13.563 11.243 568 2HG2 ILE 576 2HG2 ILE 576 13.163 13.130 12.671 569 3HG2 ILE 576 3HG2 ILE 576 12.909 14.692 11.889 570 1HD1 ILE 576 1HD1 ILE 576 12.776 9.634 11.303 571 2HD1 ILE 576 2HD1 ILE 576 11.561 10.604 12.160 572 3HD1 ILE 576 3HD1 ILE 576 13.280 10.968 12.356 573 H ASP 577 H ASP 577 10.609 14.533 13.489 574 HA ASP 577 HA ASP 577 8.929 16.673 12.771 575 1HB ASP 577 1HB ASP 577 9.658 16.060 15.105 576 2HB ASP 577 2HB ASP 577 11.228 16.753 14.746 577 H ASP 578 H ASP 578 9.359 18.704 11.814 578 HA ASP 578 HA ASP 578 11.409 18.507 9.971 579 1HB ASP 578 1HB ASP 578 9.403 20.642 10.273 580 2HB ASP 578 2HB ASP 578 10.831 20.958 9.291 581 H GLU 579 H GLU 579 13.058 18.953 9.647 582 HA GLU 579 HA GLU 579 14.833 19.982 11.643 583 1HB GLU 579 1HB GLU 579 16.384 18.555 10.545 584 2HB GLU 579 2HB GLU 579 14.888 17.686 10.787 585 1HG GLU 579 1HG GLU 579 15.919 18.804 8.154 586 2HG GLU 579 2HG GLU 579 15.910 17.122 8.623 587 H GLU 580 H GLU 580 13.500 21.006 8.614 588 HA GLU 580 HA GLU 580 15.780 22.775 8.088 589 1HB GLU 580 1HB GLU 580 15.646 22.320 5.767 590 2HB GLU 580 2HB GLU 580 15.565 20.749 6.533 591 1HG GLU 580 1HG GLU 580 13.209 22.282 5.392 592 2HG GLU 580 2HG GLU 580 14.051 20.976 4.589 593 H TYR 581 H TYR 581 14.727 24.287 6.086 594 HA TYR 581 HA TYR 581 12.735 26.004 7.053 595 1HB TYR 581 1HB TYR 581 12.600 26.857 4.755 596 2HB TYR 581 2HB TYR 581 14.285 26.493 5.106 597 HD1 TYR 581 HD1 TYR 581 11.355 25.551 3.146 598 HD2 TYR 581 HD2 TYR 581 15.406 24.602 4.018 599 HE1 TYR 581 HE1 TYR 581 11.399 24.085 1.232 600 HE2 TYR 581 HE2 TYR 581 15.474 23.121 2.062 601 HH TYR 581 HH TYR 581 13.974 21.883 0.680 602 H GLU 582 H GLU 582 10.394 26.094 6.322 603 HA GLU 582 HA GLU 582 9.598 23.328 6.037 604 1HB GLU 582 1HB GLU 582 8.647 24.657 7.916 605 2HB GLU 582 2HB GLU 582 7.786 25.623 6.724 606 1HG GLU 582 1HG GLU 582 6.329 23.911 7.619 607 2HG GLU 582 2HG GLU 582 6.665 23.603 5.914 608 H LYS 583 H LYS 583 8.611 22.441 4.507 609 HA LYS 583 HA LYS 583 7.082 23.930 2.635 610 1HB LYS 583 1HB LYS 583 8.118 23.141 0.651 611 2HB LYS 583 2HB LYS 583 9.481 23.612 1.640 612 1HG LYS 583 1HG LYS 583 8.475 20.798 1.438 613 2HG LYS 583 2HG LYS 583 9.696 21.446 0.341 614 1HD LYS 583 1HD LYS 583 11.214 21.737 2.236 615 2HD LYS 583 2HD LYS 583 9.893 21.257 3.329 616 1HE LYS 583 1HE LYS 583 9.816 19.103 2.508 617 2HE LYS 583 2HE LYS 583 10.825 19.460 1.112 618 1HZ LYS 583 1HZ LYS 583 11.941 18.129 2.957 619 2HZ LYS 583 2HZ LYS 583 11.872 19.470 3.941 620 3HZ LYS 583 3HZ LYS 583 12.751 19.526 2.520 621 H ASN 584 H ASN 584 5.265 22.778 2.294 622 HA ASN 584 HA ASN 584 4.912 20.435 3.852 623 1HB ASN 584 1HB ASN 584 3.049 21.550 1.708 624 2HB ASN 584 2HB ASN 584 2.645 20.208 2.769 625 1HD2 ASN 584 1HD2 ASN 584 0.928 21.117 3.937 626 2HD2 ASN 584 2HD2 ASN 584 1.123 22.545 4.866 627 H LYS 585 H LYS 585 5.154 18.432 3.357 628 HA LYS 585 HA LYS 585 6.082 17.927 0.657 629 1HB LYS 585 1HB LYS 585 8.204 17.154 1.290 630 2HB LYS 585 2HB LYS 585 7.936 18.547 2.302 631 1HG LYS 585 1HG LYS 585 7.972 15.639 3.085 632 2HG LYS 585 2HG LYS 585 9.050 16.913 3.607 633 1HD LYS 585 1HD LYS 585 6.173 16.546 4.296 634 2HD LYS 585 2HD LYS 585 7.555 16.166 5.335 635 1HE LYS 585 1HE LYS 585 6.729 18.953 4.402 636 2HE LYS 585 2HE LYS 585 6.408 18.309 6.002 637 1HZ LYS 585 1HZ LYS 585 8.259 19.851 5.876 638 2HZ LYS 585 2HZ LYS 585 9.163 18.782 4.925 639 3HZ LYS 585 3HZ LYS 585 8.746 18.392 6.513 640 H THR 586 H THR 586 6.460 15.460 0.345 641 HA THR 586 HA THR 586 4.693 13.822 1.873 642 HB THR 586 HB THR 586 3.082 15.103 0.615 643 HG1 THR 586 HG1 THR 586 2.862 12.771 0.780 644 1HG2 THR 586 1HG2 THR 586 2.992 15.087 -1.837 645 2HG2 THR 586 2HG2 THR 586 4.564 14.277 -1.879 646 3HG2 THR 586 3HG2 THR 586 4.426 15.912 -1.220 647 H PHE 587 H PHE 587 4.877 11.797 1.522 648 HA PHE 587 HA PHE 587 6.731 10.928 -0.504 649 1HB PHE 587 1HB PHE 587 7.335 9.065 1.225 650 2HB PHE 587 2HB PHE 587 8.137 10.617 1.294 651 HD1 PHE 587 HD1 PHE 587 5.312 8.682 2.920 652 HD2 PHE 587 HD2 PHE 587 8.193 11.784 3.231 653 HE1 PHE 587 HE1 PHE 587 4.875 8.900 5.366 654 HE2 PHE 587 HE2 PHE 587 7.743 11.963 5.630 655 HZ PHE 587 HZ PHE 587 6.086 10.503 6.682 656 H PHE 588 H PHE 588 6.372 8.885 -1.297 657 HA PHE 588 HA PHE 588 3.514 8.164 -1.173 658 1HB PHE 588 1HB PHE 588 5.504 7.248 -3.251 659 2HB PHE 588 2HB PHE 588 3.754 7.302 -3.349 660 HD1 PHE 588 HD1 PHE 588 6.650 8.852 -4.418 661 HD2 PHE 588 HD2 PHE 588 2.761 9.763 -3.000 662 HE1 PHE 588 HE1 PHE 588 6.805 11.074 -5.461 663 HE2 PHE 588 HE2 PHE 588 2.899 11.993 -4.043 664 HZ PHE 588 HZ PHE 588 4.924 12.648 -5.274 665 H LEU 589 H LEU 589 3.007 6.360 -0.201 666 HA LEU 589 HA LEU 589 5.132 4.415 0.358 667 1HB LEU 589 1HB LEU 589 3.387 5.400 2.138 668 2HB LEU 589 2HB LEU 589 2.329 4.215 1.412 669 HG LEU 589 HG LEU 589 3.228 3.353 3.456 670 1HD1 LEU 589 1HD1 LEU 589 2.827 1.691 1.811 671 2HD1 LEU 589 2HD1 LEU 589 4.295 1.277 2.702 672 3HD1 LEU 589 3HD1 LEU 589 4.409 1.958 1.080 673 1HD2 LEU 589 1HD2 LEU 589 5.626 2.948 3.748 674 2HD2 LEU 589 2HD2 LEU 589 5.195 4.654 3.613 675 3HD2 LEU 589 3HD2 LEU 589 5.930 3.821 2.241 676 H GLU 590 H GLU 590 5.206 2.832 -1.077 677 HA GLU 590 HA GLU 590 2.707 2.098 -2.423 678 1HB GLU 590 1HB GLU 590 4.191 3.472 -3.871 679 2HB GLU 590 2HB GLU 590 5.451 2.269 -3.668 680 1HG GLU 590 1HG GLU 590 4.072 0.616 -4.804 681 2HG GLU 590 2HG GLU 590 2.783 1.807 -4.982 682 H ILE 591 H ILE 591 2.211 0.093 -2.169 683 HA ILE 591 HA ILE 591 4.178 -1.814 -1.250 684 HB ILE 591 HB ILE 591 2.206 -3.417 -1.231 685 1HG1 ILE 591 1HG1 ILE 591 0.625 -0.887 -1.731 686 2HG1 ILE 591 2HG1 ILE 591 0.778 -2.253 -2.831 687 1HG2 ILE 591 1HG2 ILE 591 2.908 -2.511 0.827 688 2HG2 ILE 591 2HG2 ILE 591 1.147 -2.407 0.799 689 3HG2 ILE 591 3HG2 ILE 591 2.124 -0.969 0.499 690 1HD1 ILE 591 1HD1 ILE 591 -0.531 -2.297 -0.124 691 2HD1 ILE 591 2HD1 ILE 591 -0.412 -3.665 -1.237 692 3HD1 ILE 591 3HD1 ILE 591 -1.363 -2.241 -1.675 693 H GLY 592 H GLY 592 4.842 -3.531 -2.435 694 1HA GLY 592 1HA GLY 592 4.579 -3.030 -5.307 695 2HA GLY 592 2HA GLY 592 5.906 -3.872 -4.534 696 H GLU 593 H GLU 593 5.944 -5.696 -5.432 697 HA GLU 593 HA GLU 593 3.641 -7.159 -6.336 698 1HB GLU 593 1HB GLU 593 5.603 -6.962 -7.672 699 2HB GLU 593 2HB GLU 593 6.609 -7.619 -6.388 700 1HG GLU 593 1HG GLU 593 5.142 -9.703 -6.666 701 2HG GLU 593 2HG GLU 593 4.693 -8.974 -8.213 702 HA PRO 594 HA PRO 594 3.637 -9.334 -2.364 703 1HB PRO 594 1HB PRO 594 1.538 -10.971 -2.906 704 2HB PRO 594 2HB PRO 594 1.330 -9.278 -2.450 705 1HG PRO 594 1HG PRO 594 1.247 -10.531 -5.153 706 2HG PRO 594 2HG PRO 594 0.212 -9.273 -4.444 707 1HD PRO 594 1HD PRO 594 2.279 -8.715 -6.174 708 2HD PRO 594 2HD PRO 594 1.748 -7.590 -4.921 709 H ARG 595 H ARG 595 4.234 -11.394 -1.661 710 HA ARG 595 HA ARG 595 5.000 -13.275 -3.752 711 1HB ARG 595 1HB ARG 595 7.199 -13.607 -2.652 712 2HB ARG 595 2HB ARG 595 7.001 -11.975 -3.263 713 1HG ARG 595 1HG ARG 595 6.326 -11.329 -0.903 714 2HG ARG 595 2HG ARG 595 6.901 -12.928 -0.427 715 1HD ARG 595 1HD ARG 595 8.540 -10.786 -1.783 716 2HD ARG 595 2HD ARG 595 8.597 -11.198 -0.074 717 HE ARG 595 HE ARG 595 9.150 -13.381 -1.867 718 1HH1 ARG 595 1HH1 ARG 595 10.529 -10.758 0.142 719 2HH1 ARG 595 2HH1 ARG 595 12.106 -11.358 0.061 720 1HH2 ARG 595 1HH2 ARG 595 11.389 -14.190 -1.928 721 2HH2 ARG 595 2HH2 ARG 595 12.605 -13.320 -1.106 722 H LEU 596 H LEU 596 4.589 -15.326 -3.261 723 HA LEU 596 HA LEU 596 3.052 -15.853 -0.876 724 1HB LEU 596 1HB LEU 596 3.058 -16.822 -3.420 725 2HB LEU 596 2HB LEU 596 3.933 -18.100 -2.599 726 HG LEU 596 HG LEU 596 1.758 -18.883 -2.597 727 1HD1 LEU 596 1HD1 LEU 596 1.890 -17.405 -0.000 728 2HD1 LEU 596 2HD1 LEU 596 2.570 -18.998 -0.342 729 3HD1 LEU 596 3HD1 LEU 596 0.821 -18.757 -0.373 730 1HD2 LEU 596 1HD2 LEU 596 0.843 -16.077 -2.085 731 2HD2 LEU 596 2HD2 LEU 596 -0.229 -17.479 -2.071 732 3HD2 LEU 596 3HD2 LEU 596 0.636 -17.035 -3.547 733 H VAL 597 H VAL 597 3.869 -16.850 0.921 734 HA VAL 597 HA VAL 597 6.728 -17.341 1.028 735 HB VAL 597 HB VAL 597 4.618 -17.871 3.141 736 1HG1 VAL 597 1HG1 VAL 597 6.475 -17.890 4.725 737 2HG1 VAL 597 2HG1 VAL 597 7.620 -17.682 3.401 738 3HG1 VAL 597 3HG1 VAL 597 6.662 -19.160 3.514 739 1HG2 VAL 597 1HG2 VAL 597 6.442 -15.510 2.765 740 2HG2 VAL 597 2HG2 VAL 597 5.382 -15.793 4.151 741 3HG2 VAL 597 3HG2 VAL 597 4.689 -15.544 2.550 742 H GLU 598 H GLU 598 3.792 -19.173 1.366 743 HA GLU 598 HA GLU 598 5.196 -21.707 1.439 744 1HB GLU 598 1HB GLU 598 2.248 -21.127 1.414 745 2HB GLU 598 2HB GLU 598 3.054 -22.609 1.931 746 1HG GLU 598 1HG GLU 598 3.948 -21.552 3.860 747 2HG GLU 598 2HG GLU 598 3.462 -19.956 3.285 748 H MET 599 H MET 599 5.938 -22.131 -0.570 749 HA MET 599 HA MET 599 4.389 -21.468 -2.886 750 1HB MET 599 1HB MET 599 6.840 -21.241 -2.923 751 2HB MET 599 2HB MET 599 7.004 -22.962 -2.657 752 1HG MET 599 1HG MET 599 7.474 -22.526 -4.950 753 2HG MET 599 2HG MET 599 5.923 -23.347 -4.873 754 1HE MET 599 1HE MET 599 3.407 -20.747 -6.209 755 2HE MET 599 2HE MET 599 3.561 -21.414 -4.594 756 3HE MET 599 3HE MET 599 3.773 -22.456 -6.002 757 H SER 600 H SER 600 2.541 -22.760 -2.567 758 HA SER 600 HA SER 600 2.923 -25.496 -3.423 759 1HB SER 600 1HB SER 600 1.161 -24.685 -1.083 760 2HB SER 600 2HB SER 600 1.322 -26.314 -1.743 761 HG SER 600 HG SER 600 3.710 -25.196 -1.162 762 H GLU 601 H GLU 601 0.934 -26.344 -4.414 763 HA GLU 601 HA GLU 601 -0.705 -24.155 -5.452 764 1HB GLU 601 1HB GLU 601 -1.234 -25.679 -7.333 765 2HB GLU 601 2HB GLU 601 0.484 -25.335 -7.198 766 1HG GLU 601 1HG GLU 601 0.783 -27.510 -6.062 767 2HG GLU 601 2HG GLU 601 -0.925 -27.845 -6.330 768 H LYS 602 H LYS 602 -2.907 -24.253 -5.392 769 HA LYS 602 HA LYS 602 -4.192 -26.528 -4.107 770 1HB LYS 602 1HB LYS 602 -3.658 -24.808 -2.376 771 2HB LYS 602 2HB LYS 602 -4.540 -23.614 -3.314 772 1HG LYS 602 1HG LYS 602 -5.896 -24.334 -1.482 773 2HG LYS 602 2HG LYS 602 -6.596 -24.967 -2.975 774 1HD LYS 602 1HD LYS 602 -5.575 -27.130 -2.543 775 2HD LYS 602 2HD LYS 602 -4.834 -26.508 -1.068 776 1HE LYS 602 1HE LYS 602 -7.044 -26.088 -0.134 777 2HE LYS 602 2HE LYS 602 -7.786 -26.668 -1.625 778 1HZ LYS 602 1HZ LYS 602 -6.787 -28.845 -1.187 779 2HZ LYS 602 2HZ LYS 602 -7.826 -28.370 0.046 780 3HZ LYS 602 3HZ LYS 602 -6.151 -28.263 0.263 781 H LYS 603 H LYS 603 -5.982 -27.029 -5.319 782 HA LYS 603 HA LYS 603 -7.671 -26.914 -6.838 783 1HB LYS 603 1HB LYS 603 -7.549 -23.998 -6.093 784 2HB LYS 603 2HB LYS 603 -8.643 -24.558 -7.341 785 1HG LYS 603 1HG LYS 603 -8.709 -25.870 -4.675 786 2HG LYS 603 2HG LYS 603 -9.409 -24.266 -4.847 787 1HD LYS 603 1HD LYS 603 -11.125 -25.979 -5.145 788 2HD LYS 603 2HD LYS 603 -10.885 -25.083 -6.635 789 1HE LYS 603 1HE LYS 603 -9.521 -26.940 -7.503 790 2HE LYS 603 2HE LYS 603 -9.798 -27.837 -6.005 791 1HZ LYS 603 1HZ LYS 603 -12.202 -27.741 -6.550 792 2HZ LYS 603 2HZ LYS 603 -11.284 -28.592 -7.667 793 3HZ LYS 603 3HZ LYS 603 -11.804 -27.047 -8.040 794 H GLY 604 H GLY 604 -4.879 -26.667 -7.621 795 1HA GLY 604 1HA GLY 604 -5.101 -25.070 -10.061 796 2HA GLY 604 2HA GLY 604 -3.591 -25.570 -9.305 797 H GLY 605 H GLY 605 -2.584 -26.949 -10.525 798 1HA GLY 605 1HA GLY 605 -3.039 -29.425 -11.130 799 2HA GLY 605 2HA GLY 605 -4.031 -28.621 -12.358 800 H PHE 606 H PHE 606 -2.824 -28.886 -14.173 801 HA PHE 606 HA PHE 606 -0.442 -27.267 -14.212 802 1HB PHE 606 1HB PHE 606 0.427 -29.556 -13.723 803 2HB PHE 606 2HB PHE 606 -0.376 -30.085 -15.211 804 HD1 PHE 606 HD1 PHE 606 0.798 -30.115 -17.199 805 HD2 PHE 606 HD2 PHE 606 2.132 -27.580 -14.051 806 HE1 PHE 606 HE1 PHE 606 2.753 -29.477 -18.546 807 HE2 PHE 606 HE2 PHE 606 4.088 -26.942 -15.397 808 HZ PHE 606 HZ PHE 606 4.401 -27.887 -17.644 809 H THR 607 H THR 607 -1.158 -25.878 -15.670 810 HA THR 607 HA THR 607 -2.349 -26.843 -18.078 811 HB THR 607 HB THR 607 -2.081 -24.393 -18.771 812 HG1 THR 607 HG1 THR 607 -0.349 -24.062 -17.273 813 1HG2 THR 607 1HG2 THR 607 -3.867 -23.590 -17.279 814 2HG2 THR 607 2HG2 THR 607 -3.571 -24.955 -16.202 815 3HG2 THR 607 3HG2 THR 607 -4.187 -25.235 -17.829 816 H ILE 608 H ILE 608 -1.171 -27.359 -19.865 817 HA ILE 608 HA ILE 608 1.681 -27.467 -19.598 818 HB ILE 608 HB ILE 608 0.051 -28.001 -22.062 819 1HG1 ILE 608 1HG1 ILE 608 0.872 -29.948 -19.880 820 2HG1 ILE 608 2HG1 ILE 608 -0.760 -29.371 -20.172 821 1HG2 ILE 608 1HG2 ILE 608 2.468 -27.778 -22.469 822 2HG2 ILE 608 2HG2 ILE 608 1.993 -29.463 -22.682 823 3HG2 ILE 608 3HG2 ILE 608 2.810 -28.959 -21.203 824 1HD1 ILE 608 1HD1 ILE 608 0.877 -31.072 -22.043 825 2HD1 ILE 608 2HD1 ILE 608 -0.764 -30.502 -22.341 826 3HD1 ILE 608 3HD1 ILE 608 -0.448 -31.623 -21.018 827 H THR 609 H THR 609 2.595 -25.581 -19.620 828 HA THR 609 HA THR 609 2.396 -23.937 -21.976 829 HB THR 609 HB THR 609 0.747 -23.048 -20.413 830 HG1 THR 609 HG1 THR 609 1.328 -21.158 -21.086 831 1HG2 THR 609 1HG2 THR 609 3.058 -22.699 -18.498 832 2HG2 THR 609 2HG2 THR 609 1.690 -23.796 -18.303 833 3HG2 THR 609 3HG2 THR 609 1.435 -22.049 -18.253 834 H GLU 610 H GLU 610 4.175 -22.189 -21.808 835 HA GLU 610 HA GLU 610 6.598 -23.563 -20.896 836 1HB GLU 610 1HB GLU 610 6.338 -21.144 -22.679 837 2HB GLU 610 2HB GLU 610 7.793 -22.075 -22.380 838 1HG GLU 610 1HG GLU 610 6.658 -24.031 -23.422 839 2HG GLU 610 2HG GLU 610 5.334 -22.952 -23.862 840 H GLU 611 H GLU 611 4.509 -21.539 -19.634 841 HA GLU 611 HA GLU 611 6.095 -19.366 -18.820 842 1HB GLU 611 1HB GLU 611 3.455 -20.334 -17.756 843 2HB GLU 611 2HB GLU 611 4.235 -18.840 -17.261 844 1HG GLU 611 1HG GLU 611 3.364 -19.526 -20.054 845 2HG GLU 611 2HG GLU 611 2.528 -18.437 -18.945 846 H TYR 612 H TYR 612 7.914 -20.337 -18.041 847 HA TYR 612 HA TYR 612 7.755 -21.174 -15.229 848 1HB TYR 612 1HB TYR 612 9.903 -21.519 -17.321 849 2HB TYR 612 2HB TYR 612 10.264 -21.624 -15.602 850 HD1 TYR 612 HD1 TYR 612 8.311 -23.180 -18.339 851 HD2 TYR 612 HD2 TYR 612 9.738 -23.518 -14.352 852 HE1 TYR 612 HE1 TYR 612 7.600 -25.537 -18.282 853 HE2 TYR 612 HE2 TYR 612 9.041 -25.857 -14.284 854 HH TYR 612 HH TYR 612 8.145 -27.570 -17.042 855 H ASP 613 H ASP 613 7.215 -19.315 -14.478 856 HA ASP 613 HA ASP 613 8.756 -16.973 -15.095 857 1HB ASP 613 1HB ASP 613 6.324 -16.882 -14.613 858 2HB ASP 613 2HB ASP 613 6.682 -17.379 -12.961 859 H ASP 614 H ASP 614 10.730 -16.976 -14.275 860 HA ASP 614 HA ASP 614 10.993 -17.878 -11.536 861 1HB ASP 614 1HB ASP 614 12.643 -18.713 -13.048 862 2HB ASP 614 2HB ASP 614 13.062 -17.054 -13.506 863 H LYS 615 H LYS 615 10.041 -16.398 -10.502 864 HA LYS 615 HA LYS 615 9.512 -14.440 -9.565 865 1HB LYS 615 1HB LYS 615 11.473 -13.389 -8.337 866 2HB LYS 615 2HB LYS 615 11.172 -15.092 -8.042 867 1HG LYS 615 1HG LYS 615 12.995 -15.636 -9.629 868 2HG LYS 615 2HG LYS 615 13.313 -13.911 -9.800 869 1HD LYS 615 1HD LYS 615 13.854 -13.745 -7.454 870 2HD LYS 615 2HD LYS 615 13.415 -15.434 -7.203 871 1HE LYS 615 1HE LYS 615 15.658 -14.443 -8.968 872 2HE LYS 615 2HE LYS 615 15.843 -15.119 -7.356 873 1HZ LYS 615 1HZ LYS 615 14.779 -16.612 -9.724 874 2HZ LYS 615 2HZ LYS 615 14.970 -17.231 -8.167 875 3HZ LYS 615 3HZ LYS 615 16.310 -16.756 -9.048 876 H GLN 616 H GLN 616 9.214 -13.908 -12.105 877 HA GLN 616 HA GLN 616 10.648 -11.501 -12.821 878 1HB GLN 616 1HB GLN 616 8.129 -12.695 -14.014 879 2HB GLN 616 2HB GLN 616 9.005 -11.332 -14.681 880 1HG GLN 616 1HG GLN 616 10.953 -12.822 -15.006 881 2HG GLN 616 2HG GLN 616 9.950 -14.175 -14.471 882 1HE2 GLN 616 1HE2 GLN 616 8.171 -14.733 -15.739 883 2HE2 GLN 616 2HE2 GLN 616 8.110 -14.396 -17.443 884 HA PRO 617 HA PRO 617 7.997 -8.479 -10.839 885 1HB PRO 617 1HB PRO 617 7.656 -7.127 -13.461 886 2HB PRO 617 2HB PRO 617 8.279 -6.469 -11.947 887 1HG PRO 617 1HG PRO 617 9.934 -6.991 -13.941 888 2HG PRO 617 2HG PRO 617 10.396 -7.388 -12.277 889 1HD PRO 617 1HD PRO 617 9.363 -9.187 -14.433 890 2HD PRO 617 2HD PRO 617 10.703 -9.450 -13.292 891 H LEU 618 H LEU 618 5.883 -6.994 -11.731 892 HA LEU 618 HA LEU 618 3.772 -8.787 -11.645 893 1HB LEU 618 1HB LEU 618 3.864 -5.896 -12.475 894 2HB LEU 618 2HB LEU 618 2.358 -6.790 -12.453 895 HG LEU 618 HG LEU 618 2.427 -5.491 -10.479 896 1HD1 LEU 618 1HD1 LEU 618 1.562 -7.701 -10.122 897 2HD1 LEU 618 2HD1 LEU 618 2.399 -7.111 -8.676 898 3HD1 LEU 618 3HD1 LEU 618 3.181 -8.287 -9.720 899 1HD2 LEU 618 1HD2 LEU 618 4.225 -5.603 -8.813 900 2HD2 LEU 618 2HD2 LEU 618 4.788 -4.938 -10.351 901 3HD2 LEU 618 3HD2 LEU 618 5.170 -6.608 -9.909 902 H THR 619 H THR 619 3.032 -10.095 -13.020 903 HA THR 619 HA THR 619 3.418 -9.603 -15.865 904 HB THR 619 HB THR 619 3.703 -12.249 -15.794 905 HG1 THR 619 HG1 THR 619 4.972 -11.569 -13.377 906 1HG2 THR 619 1HG2 THR 619 6.146 -11.965 -15.707 907 2HG2 THR 619 2HG2 THR 619 5.936 -10.360 -15.010 908 3HG2 THR 619 3HG2 THR 619 5.402 -10.681 -16.661 909 H SER 620 H SER 620 2.131 -11.634 -16.938 910 HA SER 620 HA SER 620 0.246 -12.784 -17.298 911 1HB SER 620 1HB SER 620 0.517 -13.636 -15.009 912 2HB SER 620 2HB SER 620 -0.381 -12.258 -14.382 913 HG SER 620 HG SER 620 -2.047 -12.988 -15.872 914 H LYS 621 H LYS 621 0.407 -9.789 -17.576 915 HA LYS 621 HA LYS 621 -2.358 -9.035 -17.133 916 1HB LYS 621 1HB LYS 621 -0.070 -7.448 -18.323 917 2HB LYS 621 2HB LYS 621 -1.709 -6.840 -18.249 918 1HG LYS 621 1HG LYS 621 -0.691 -5.833 -16.413 919 2HG LYS 621 2HG LYS 621 -1.504 -7.215 -15.695 920 1HD LYS 621 1HD LYS 621 0.669 -7.082 -14.726 921 2HD LYS 621 2HD LYS 621 0.690 -8.444 -15.844 922 1HE LYS 621 1HE LYS 621 2.734 -7.162 -16.080 923 2HE LYS 621 2HE LYS 621 1.774 -6.993 -17.543 924 1HZ LYS 621 1HZ LYS 621 1.962 -4.988 -15.350 925 2HZ LYS 621 2HZ LYS 621 1.038 -4.801 -16.731 926 3HZ LYS 621 3HZ LYS 621 2.715 -4.897 -16.839 927 H GLU 622 H GLU 622 -0.725 -10.698 -19.456 928 HA GLU 622 HA GLU 622 -2.634 -9.870 -21.540 929 1HB GLU 622 1HB GLU 622 -0.296 -9.425 -22.121 930 2HB GLU 622 2HB GLU 622 0.103 -11.109 -21.841 931 1HG GLU 622 1HG GLU 622 -0.063 -10.628 -24.213 932 2HG GLU 622 2HG GLU 622 -1.316 -11.760 -23.709 933 H GLU 623 H GLU 623 -0.734 -12.691 -20.526 934 HA GLU 623 HA GLU 623 -2.452 -14.512 -21.884 935 1HB GLU 623 1HB GLU 623 -0.180 -14.931 -19.952 936 2HB GLU 623 2HB GLU 623 -1.041 -16.250 -20.741 937 1HG GLU 623 1HG GLU 623 0.436 -14.058 -22.165 938 2HG GLU 623 2HG GLU 623 1.125 -15.634 -21.777 939 H GLU 624 H GLU 624 -4.212 -15.380 -21.197 940 HA GLU 624 HA GLU 624 -5.275 -14.922 -18.574 941 1HB GLU 624 1HB GLU 624 -6.271 -16.718 -20.783 942 2HB GLU 624 2HB GLU 624 -7.187 -16.196 -19.376 943 1HG GLU 624 1HG GLU 624 -7.119 -13.909 -20.155 944 2HG GLU 624 2HG GLU 624 -6.120 -14.388 -21.524 945 H GLU 625 H GLU 625 -3.808 -17.550 -20.354 946 HA GLU 625 HA GLU 625 -4.224 -19.575 -18.451 947 1HB GLU 625 1HB GLU 625 -2.391 -20.781 -19.614 948 2HB GLU 625 2HB GLU 625 -3.613 -20.143 -20.704 949 1HG GLU 625 1HG GLU 625 -2.145 -18.295 -21.296 950 2HG GLU 625 2HG GLU 625 -0.926 -18.897 -20.178 951 H ARG 626 H ARG 626 -2.050 -16.984 -18.624 952 HA ARG 626 HA ARG 626 -0.060 -17.861 -16.817 953 1HB ARG 626 1HB ARG 626 -0.808 -15.450 -18.174 954 2HB ARG 626 2HB ARG 626 -0.400 -15.111 -16.510 955 1HG ARG 626 1HG ARG 626 1.375 -16.588 -18.423 956 2HG ARG 626 2HG ARG 626 1.487 -14.867 -18.056 957 1HD ARG 626 1HD ARG 626 1.761 -15.512 -15.638 958 2HD ARG 626 2HD ARG 626 1.935 -17.183 -16.187 959 HE ARG 626 HE ARG 626 3.703 -16.094 -17.705 960 1HH1 ARG 626 1HH1 ARG 626 3.269 -15.709 -14.173 961 2HH1 ARG 626 2HH1 ARG 626 4.752 -14.889 -14.016 962 1HH2 ARG 626 1HH2 ARG 626 5.746 -15.019 -17.346 963 2HH2 ARG 626 2HH2 ARG 626 6.151 -14.569 -15.723 964 H ARG 627 H ARG 627 -3.120 -16.166 -16.488 965 HA ARG 627 HA ARG 627 -2.925 -15.533 -13.762 966 1HB ARG 627 1HB ARG 627 -5.350 -15.876 -15.531 967 2HB ARG 627 2HB ARG 627 -5.434 -15.282 -13.876 968 1HG ARG 627 1HG ARG 627 -4.065 -13.381 -14.440 969 2HG ARG 627 2HG ARG 627 -3.821 -14.002 -16.067 970 1HD ARG 627 1HD ARG 627 -6.174 -13.692 -16.568 971 2HD ARG 627 2HD ARG 627 -6.485 -13.178 -14.908 972 HE ARG 627 HE ARG 627 -4.736 -11.397 -15.482 973 1HH1 ARG 627 1HH1 ARG 627 -7.271 -12.546 -17.718 974 2HH1 ARG 627 2HH1 ARG 627 -7.335 -11.080 -18.577 975 1HH2 ARG 627 1HH2 ARG 627 -4.833 -9.399 -16.711 976 2HH2 ARG 627 2HH2 ARG 627 -5.883 -9.275 -18.042 977 H ILE 628 H ILE 628 -3.717 -18.465 -15.344 978 HA ILE 628 HA ILE 628 -4.966 -19.804 -13.173 979 HB ILE 628 HB ILE 628 -3.376 -20.917 -15.491 980 1HG1 ILE 628 1HG1 ILE 628 -6.359 -20.530 -15.226 981 2HG1 ILE 628 2HG1 ILE 628 -5.292 -19.468 -16.136 982 1HG2 ILE 628 1HG2 ILE 628 -3.634 -22.515 -13.697 983 2HG2 ILE 628 2HG2 ILE 628 -4.642 -22.991 -15.071 984 3HG2 ILE 628 3HG2 ILE 628 -5.372 -22.233 -13.651 985 1HD1 ILE 628 1HD1 ILE 628 -5.824 -22.366 -16.672 986 2HD1 ILE 628 2HD1 ILE 628 -4.673 -21.364 -17.550 987 3HD1 ILE 628 3HD1 ILE 628 -6.401 -20.992 -17.622 988 H ALA 629 H ALA 629 -1.697 -19.551 -14.398 989 HA ALA 629 HA ALA 629 -0.534 -21.293 -12.461 990 1HB ALA 629 1HB ALA 629 1.624 -20.500 -13.344 991 2HB ALA 629 2HB ALA 629 0.785 -19.244 -14.254 992 3HB ALA 629 3HB ALA 629 0.521 -20.941 -14.648 993 H GLU 630 H GLU 630 -0.956 -17.836 -12.828 994 HA GLU 630 HA GLU 630 0.537 -17.127 -10.508 995 1HB GLU 630 1HB GLU 630 -1.554 -15.467 -11.917 996 2HB GLU 630 2HB GLU 630 -0.345 -14.883 -10.794 997 1HG GLU 630 1HG GLU 630 0.101 -15.961 -13.564 998 2HG GLU 630 2HG GLU 630 0.301 -14.305 -13.005 999 H MET 631 H MET 631 -2.447 -18.644 -10.800 1000 HA MET 631 HA MET 631 -3.701 -17.428 -8.581 1001 1HB MET 631 1HB MET 631 -4.822 -18.453 -10.547 1002 2HB MET 631 2HB MET 631 -4.241 -20.021 -10.014 1003 1HG MET 631 1HG MET 631 -5.479 -19.864 -8.031 1004 2HG MET 631 2HG MET 631 -5.970 -18.206 -8.433 1005 1HE MET 631 1HE MET 631 -8.248 -18.764 -11.595 1006 2HE MET 631 2HE MET 631 -6.510 -18.534 -11.641 1007 3HE MET 631 3HE MET 631 -7.496 -17.580 -10.525 1008 H GLY 632 H GLY 632 -1.203 -19.630 -9.102 1009 1HA GLY 632 1HA GLY 632 -1.439 -20.879 -6.467 1010 2HA GLY 632 2HA GLY 632 -0.205 -21.232 -7.686 1011 H ARG 633 H ARG 633 -0.723 -18.023 -7.552 1012 HA ARG 633 HA ARG 633 1.454 -17.428 -5.700 1013 1HB ARG 633 1HB ARG 633 0.858 -16.466 -8.482 1014 2HB ARG 633 2HB ARG 633 1.794 -15.489 -7.375 1015 1HG ARG 633 1HG ARG 633 3.462 -17.261 -7.232 1016 2HG ARG 633 2HG ARG 633 2.506 -18.234 -8.363 1017 1HD ARG 633 1HD ARG 633 2.802 -16.714 -10.098 1018 2HD ARG 633 2HD ARG 633 3.331 -15.439 -9.009 1019 HE ARG 633 HE ARG 633 5.092 -17.624 -8.900 1020 1HH1 ARG 633 1HH1 ARG 633 4.094 -15.067 -11.150 1021 2HH1 ARG 633 2HH1 ARG 633 5.694 -14.752 -11.678 1022 1HH2 ARG 633 1HH2 ARG 633 7.297 -17.204 -9.727 1023 2HH2 ARG 633 2HH2 ARG 633 7.452 -15.989 -10.942 1024 HA PRO 634 HA PRO 634 -1.601 -14.280 -4.676 1025 1HB PRO 634 1HB PRO 634 -0.131 -12.338 -3.591 1026 2HB PRO 634 2HB PRO 634 -0.318 -13.902 -2.801 1027 1HG PRO 634 1HG PRO 634 2.027 -12.791 -4.208 1028 2HG PRO 634 2HG PRO 634 1.972 -14.054 -2.957 1029 1HD PRO 634 1HD PRO 634 2.189 -14.283 -5.796 1030 2HD PRO 634 2HD PRO 634 2.146 -15.594 -4.607 1031 H ILE 635 H ILE 635 -2.492 -12.323 -5.396 1032 HA ILE 635 HA ILE 635 -1.062 -11.164 -7.624 1033 HB ILE 635 HB ILE 635 -3.369 -10.517 -8.480 1034 1HG1 ILE 635 1HG1 ILE 635 -5.182 -12.226 -7.921 1035 2HG1 ILE 635 2HG1 ILE 635 -4.178 -12.757 -6.588 1036 1HG2 ILE 635 1HG2 ILE 635 -3.589 -12.726 -9.632 1037 2HG2 ILE 635 2HG2 ILE 635 -2.415 -13.367 -8.465 1038 3HG2 ILE 635 3HG2 ILE 635 -1.934 -12.102 -9.580 1039 1HD1 ILE 635 1HD1 ILE 635 -5.970 -11.309 -5.831 1040 2HD1 ILE 635 2HD1 ILE 635 -5.412 -10.030 -6.910 1041 3HD1 ILE 635 3HD1 ILE 635 -4.403 -10.543 -5.559 1042 H LEU 636 H LEU 636 -2.083 -8.918 -8.180 1043 HA LEU 636 HA LEU 636 -1.395 -7.355 -5.872 1044 1HB LEU 636 1HB LEU 636 -0.778 -6.912 -8.304 1045 2HB LEU 636 2HB LEU 636 -2.418 -6.306 -8.472 1046 HG LEU 636 HG LEU 636 -1.905 -4.753 -6.556 1047 1HD1 LEU 636 1HD1 LEU 636 0.892 -5.677 -7.146 1048 2HD1 LEU 636 2HD1 LEU 636 0.024 -5.833 -5.616 1049 3HD1 LEU 636 3HD1 LEU 636 0.493 -4.245 -6.215 1050 1HD2 LEU 636 1HD2 LEU 636 -0.337 -4.495 -9.084 1051 2HD2 LEU 636 2HD2 LEU 636 -0.754 -3.187 -7.952 1052 3HD2 LEU 636 3HD2 LEU 636 -2.032 -4.052 -8.823 1053 H GLY 637 H GLY 637 -2.721 -5.583 -5.101 1054 1HA GLY 637 1HA GLY 637 -5.337 -6.484 -4.464 1055 2HA GLY 637 2HA GLY 637 -4.532 -5.008 -3.952 1056 H GLU 638 H GLU 638 -5.202 -3.137 -4.739 1057 HA GLU 638 HA GLU 638 -7.049 -3.165 -7.026 1058 1HB GLU 638 1HB GLU 638 -8.254 -3.029 -4.848 1059 2HB GLU 638 2HB GLU 638 -7.338 -1.589 -4.453 1060 1HG GLU 638 1HG GLU 638 -9.522 -0.938 -5.166 1061 2HG GLU 638 2HG GLU 638 -8.363 -0.475 -6.415 1062 H HIS 639 H HIS 639 -5.648 -0.737 -4.824 1063 HA HIS 639 HA HIS 639 -4.247 0.408 -7.073 1064 1HB HIS 639 1HB HIS 639 -4.858 2.720 -6.282 1065 2HB HIS 639 2HB HIS 639 -6.214 1.815 -6.921 1066 HD1 HIS 639 HD1 HIS 639 -5.068 3.620 -3.877 1067 HD2 HIS 639 HD2 HIS 639 -8.086 0.959 -4.921 1068 HE1 HIS 639 HE1 HIS 639 -6.792 3.746 -2.045 1069 H THR 640 H THR 640 -2.187 0.437 -6.597 1070 HA THR 640 HA THR 640 -1.527 0.354 -3.799 1071 HB THR 640 HB THR 640 0.735 -0.423 -4.677 1072 HG1 THR 640 HG1 THR 640 0.986 -0.749 -6.757 1073 1HG2 THR 640 1HG2 THR 640 -1.663 -2.055 -5.521 1074 2HG2 THR 640 2HG2 THR 640 -1.051 -1.949 -3.876 1075 3HG2 THR 640 3HG2 THR 640 -0.051 -2.671 -5.140 1076 H LYS 641 H LYS 641 -1.662 2.508 -3.270 1077 HA LYS 641 HA LYS 641 0.561 4.165 -3.805 1078 1HB LYS 641 1HB LYS 641 -0.569 4.674 -5.896 1079 2HB LYS 641 2HB LYS 641 -2.095 4.914 -5.061 1080 1HG LYS 641 1HG LYS 641 -1.220 7.085 -5.625 1081 2HG LYS 641 2HG LYS 641 -1.066 6.864 -3.887 1082 1HD LYS 641 1HD LYS 641 1.282 6.300 -4.141 1083 2HD LYS 641 2HD LYS 641 1.158 6.542 -5.891 1084 1HE LYS 641 1HE LYS 641 0.659 8.604 -3.746 1085 2HE LYS 641 2HE LYS 641 2.094 8.494 -4.750 1086 1HZ LYS 641 1HZ LYS 641 -0.642 8.980 -5.827 1087 2HZ LYS 641 2HZ LYS 641 0.813 9.072 -6.681 1088 3HZ LYS 641 3HZ LYS 641 0.464 10.190 -5.476 1089 H LEU 642 H LEU 642 0.805 5.254 -2.000 1090 HA LEU 642 HA LEU 642 -1.545 6.324 -0.678 1091 1HB LEU 642 1HB LEU 642 -0.785 4.385 0.596 1092 2HB LEU 642 2HB LEU 642 0.843 5.039 0.587 1093 HG LEU 642 HG LEU 642 -0.102 7.034 1.803 1094 1HD1 LEU 642 1HD1 LEU 642 -2.093 6.635 3.157 1095 2HD1 LEU 642 2HD1 LEU 642 -2.412 5.171 2.229 1096 3HD1 LEU 642 3HD1 LEU 642 -2.441 6.755 1.434 1097 1HD2 LEU 642 1HD2 LEU 642 1.318 5.442 2.887 1098 2HD2 LEU 642 2HD2 LEU 642 -0.044 4.353 3.128 1099 3HD2 LEU 642 3HD2 LEU 642 -0.008 5.931 3.940 1100 H GLU 643 H GLU 643 -1.269 8.378 -1.025 1101 HA GLU 643 HA GLU 643 1.395 9.532 -1.139 1102 1HB GLU 643 1HB GLU 643 -0.526 9.916 -2.832 1103 2HB GLU 643 2HB GLU 643 -1.264 10.834 -1.540 1104 1HG GLU 643 1HG GLU 643 0.267 12.542 -1.681 1105 2HG GLU 643 2HG GLU 643 1.466 11.534 -2.496 1106 H VAL 644 H VAL 644 2.148 9.868 0.911 1107 HA VAL 644 HA VAL 644 0.299 10.676 3.008 1108 HB VAL 644 HB VAL 644 3.248 10.131 3.184 1109 1HG1 VAL 644 1HG1 VAL 644 1.125 10.051 5.318 1110 2HG1 VAL 644 2HG1 VAL 644 2.204 11.396 4.997 1111 3HG1 VAL 644 3HG1 VAL 644 2.872 9.870 5.549 1112 1HG2 VAL 644 1HG2 VAL 644 2.712 7.864 3.901 1113 2HG2 VAL 644 2HG2 VAL 644 2.122 8.161 2.265 1114 3HG2 VAL 644 3HG2 VAL 644 1.001 8.172 3.624 1115 H ILE 645 H ILE 645 -0.016 12.811 3.009 1116 HA ILE 645 HA ILE 645 2.267 14.524 2.436 1117 HB ILE 645 HB ILE 645 -0.651 15.352 2.850 1118 1HG1 ILE 645 1HG1 ILE 645 -0.471 16.006 0.347 1119 2HG1 ILE 645 2HG1 ILE 645 0.953 14.995 0.303 1120 1HG2 ILE 645 1HG2 ILE 645 1.707 16.976 1.920 1121 2HG2 ILE 645 2HG2 ILE 645 0.919 17.080 3.494 1122 3HG2 ILE 645 3HG2 ILE 645 0.039 17.544 2.036 1123 1HD1 ILE 645 1HD1 ILE 645 -1.027 13.822 -0.559 1124 2HD1 ILE 645 2HD1 ILE 645 -1.834 14.054 0.974 1125 3HD1 ILE 645 3HD1 ILE 645 -0.395 13.048 0.886 1126 H ILE 646 H ILE 646 3.333 15.506 4.030 1127 HA ILE 646 HA ILE 646 2.385 14.955 6.758 1128 HB ILE 646 HB ILE 646 5.230 15.689 5.978 1129 1HG1 ILE 646 1HG1 ILE 646 5.660 13.130 6.427 1130 2HG1 ILE 646 2HG1 ILE 646 3.946 12.982 6.104 1131 1HG2 ILE 646 1HG2 ILE 646 4.114 14.382 8.446 1132 2HG2 ILE 646 2HG2 ILE 646 4.696 16.047 8.327 1133 3HG2 ILE 646 3HG2 ILE 646 5.814 14.697 8.141 1134 1HD1 ILE 646 1HD1 ILE 646 5.303 12.513 4.145 1135 2HD1 ILE 646 2HD1 ILE 646 5.938 14.159 4.197 1136 3HD1 ILE 646 3HD1 ILE 646 4.217 13.881 3.909 1137 H GLU 647 H GLU 647 1.617 16.637 7.764 1138 HA GLU 647 HA GLU 647 2.582 19.243 6.902 1139 1HB GLU 647 1HB GLU 647 -0.258 18.709 7.768 1140 2HB GLU 647 2HB GLU 647 0.378 20.132 6.943 1141 1HG GLU 647 1HG GLU 647 1.033 18.321 5.101 1142 2HG GLU 647 2HG GLU 647 -0.234 17.436 5.880 1143 H GLU 648 H GLU 648 1.895 20.905 8.607 1144 HA GLU 648 HA GLU 648 3.470 20.205 10.858 1145 1HB GLU 648 1HB GLU 648 1.840 22.672 10.344 1146 2HB GLU 648 2HB GLU 648 3.097 22.493 11.563 1147 1HG GLU 648 1HG GLU 648 3.473 22.329 8.587 1148 2HG GLU 648 2HG GLU 648 3.939 23.668 9.638 1149 H SER 649 H SER 649 2.900 20.410 13.076 1150 HA SER 649 HA SER 649 0.349 19.305 13.742 1151 1HB SER 649 1HB SER 649 2.526 18.788 14.976 1152 2HB SER 649 2HB SER 649 2.502 20.436 15.584 1153 HG SER 649 HG SER 649 0.149 19.146 16.066 1154 H TYR 650 H TYR 650 -1.027 20.796 12.978 1155 HA TYR 650 HA TYR 650 -1.670 23.112 14.499 1156 1HB TYR 650 1HB TYR 650 0.019 24.253 13.276 1157 2HB TYR 650 2HB TYR 650 -0.297 23.339 11.814 1158 HD1 TYR 650 HD1 TYR 650 -1.668 24.195 10.164 1159 HD2 TYR 650 HD2 TYR 650 -1.713 26.015 14.002 1160 HE1 TYR 650 HE1 TYR 650 -3.066 25.961 9.275 1161 HE2 TYR 650 HE2 TYR 650 -3.127 27.828 13.115 1162 HH TYR 650 HH TYR 650 -4.724 27.505 10.227 1163 H GLU 651 H GLU 651 -1.993 21.999 11.127 1164 HA GLU 651 HA GLU 651 -4.626 21.011 11.402 1165 1HB GLU 651 1HB GLU 651 -4.169 23.545 9.787 1166 2HB GLU 651 2HB GLU 651 -5.561 22.508 9.591 1167 1HG GLU 651 1HG GLU 651 -6.180 23.037 11.950 1168 2HG GLU 651 2HG GLU 651 -4.851 24.199 11.967 1169 H PHE 652 H PHE 652 -5.300 20.822 8.789 1170 HA PHE 652 HA PHE 652 -2.918 19.910 7.468 1171 1HB PHE 652 1HB PHE 652 -5.634 18.621 7.656 1172 2HB PHE 652 2HB PHE 652 -4.371 18.148 6.534 1173 HD1 PHE 652 HD1 PHE 652 -5.788 17.613 9.722 1174 HD2 PHE 652 HD2 PHE 652 -2.103 17.492 7.617 1175 HE1 PHE 652 HE1 PHE 652 -4.859 16.141 11.448 1176 HE2 PHE 652 HE2 PHE 652 -1.168 16.014 9.332 1177 HZ PHE 652 HZ PHE 652 -2.539 15.332 11.250 1178 H LYS 653 H LYS 653 -3.140 20.018 5.233 1179 HA LYS 653 HA LYS 653 -5.193 21.875 4.294 1180 1HB LYS 653 1HB LYS 653 -2.384 21.429 3.242 1181 2HB LYS 653 2HB LYS 653 -3.553 22.561 2.581 1182 1HG LYS 653 1HG LYS 653 -2.458 22.718 5.370 1183 2HG LYS 653 2HG LYS 653 -1.734 23.567 3.995 1184 1HD LYS 653 1HD LYS 653 -3.898 24.738 3.673 1185 2HD LYS 653 2HD LYS 653 -4.524 23.920 5.109 1186 1HE LYS 653 1HE LYS 653 -2.796 24.946 6.476 1187 2HE LYS 653 2HE LYS 653 -2.104 25.716 5.056 1188 1HZ LYS 653 1HZ LYS 653 -4.137 26.988 4.799 1189 2HZ LYS 653 2HZ LYS 653 -3.453 27.239 6.314 1190 3HZ LYS 653 3HZ LYS 653 -4.812 26.233 6.156 1191 H SER 654 H SER 654 -6.283 19.739 4.312 1192 HA SER 654 HA SER 654 -5.488 17.609 2.690 1193 1HB SER 654 1HB SER 654 -8.268 18.404 3.567 1194 2HB SER 654 2HB SER 654 -7.795 16.814 2.962 1195 HG SER 654 HG SER 654 -7.308 18.022 5.420 1196 H THR 655 H THR 655 -4.900 18.212 0.709 1197 HA THR 655 HA THR 655 -6.777 19.714 -0.838 1198 HB THR 655 HB THR 655 -4.628 20.694 -0.966 1199 HG1 THR 655 HG1 THR 655 -4.641 19.234 -3.352 1200 1HG2 THR 655 1HG2 THR 655 -3.248 18.812 -0.226 1201 2HG2 THR 655 2HG2 THR 655 -2.595 19.498 -1.713 1202 3HG2 THR 655 3HG2 THR 655 -3.512 17.995 -1.766 1203 H VAL 656 H VAL 656 -8.280 18.074 -1.005 1204 HA VAL 656 HA VAL 656 -7.521 16.030 -2.884 1205 HB VAL 656 HB VAL 656 -8.883 15.213 -1.081 1206 1HG1 VAL 656 1HG1 VAL 656 -11.211 15.930 -0.682 1207 2HG1 VAL 656 2HG1 VAL 656 -10.982 17.227 -1.856 1208 3HG1 VAL 656 3HG1 VAL 656 -10.035 17.205 -0.368 1209 1HG2 VAL 656 1HG2 VAL 656 -10.486 15.316 -3.618 1210 2HG2 VAL 656 2HG2 VAL 656 -10.768 14.181 -2.295 1211 3HG2 VAL 656 3HG2 VAL 656 -9.249 14.133 -3.195 1212 H ASP 657 H ASP 657 -7.053 17.160 -4.470 1213 HA ASP 657 HA ASP 657 -8.994 19.091 -5.611 1214 1HB ASP 657 1HB ASP 657 -6.750 19.876 -4.641 1215 2HB ASP 657 2HB ASP 657 -6.010 19.095 -6.026 Start of MODEL 10 1 1H HIS 501 1H HIS 501 -8.026 -16.280 -8.480 2 HA HIS 501 HA HIS 501 -7.352 -13.878 -6.968 3 1HB HIS 501 1HB HIS 501 -9.744 -14.193 -7.141 4 2HB HIS 501 2HB HIS 501 -9.606 -15.872 -6.651 5 HD1 HIS 501 HD1 HIS 501 -11.355 -15.334 -4.701 6 HD2 HIS 501 HD2 HIS 501 -7.709 -13.359 -4.399 7 HE1 HIS 501 HE1 HIS 501 -11.271 -14.375 -2.379 8 H ALA 502 H ALA 502 -5.435 -14.318 -6.084 9 HA ALA 502 HA ALA 502 -5.362 -16.546 -4.165 10 1HB ALA 502 1HB ALA 502 -2.918 -16.223 -4.147 11 2HB ALA 502 2HB ALA 502 -3.106 -14.957 -5.358 12 3HB ALA 502 3HB ALA 502 -3.522 -16.628 -5.760 13 H GLY 503 H GLY 503 -4.762 -13.076 -4.684 14 1HA GLY 503 1HA GLY 503 -5.678 -12.534 -2.110 15 2HA GLY 503 2HA GLY 503 -3.924 -12.423 -2.149 16 H ILE 504 H ILE 504 -6.210 -10.515 -1.849 17 HA ILE 504 HA ILE 504 -5.291 -8.523 -3.813 18 HB ILE 504 HB ILE 504 -7.902 -8.595 -2.255 19 1HG1 ILE 504 1HG1 ILE 504 -8.932 -8.451 -4.628 20 2HG1 ILE 504 2HG1 ILE 504 -7.356 -8.992 -5.187 21 1HG2 ILE 504 1HG2 ILE 504 -8.551 -6.540 -3.432 22 2HG2 ILE 504 2HG2 ILE 504 -6.945 -6.469 -4.157 23 3HG2 ILE 504 3HG2 ILE 504 -7.130 -6.315 -2.409 24 1HD1 ILE 504 1HD1 ILE 504 -8.920 -10.829 -4.994 25 2HD1 ILE 504 2HD1 ILE 504 -9.155 -10.460 -3.287 26 3HD1 ILE 504 3HD1 ILE 504 -7.581 -11.010 -3.862 27 H PHE 505 H PHE 505 -3.801 -7.314 -2.809 28 HA PHE 505 HA PHE 505 -4.379 -6.518 -0.046 29 1HB PHE 505 1HB PHE 505 -1.671 -6.921 -1.353 30 2HB PHE 505 2HB PHE 505 -1.918 -6.299 0.278 31 HD1 PHE 505 HD1 PHE 505 -2.789 -7.768 2.042 32 HD2 PHE 505 HD2 PHE 505 -1.890 -9.259 -1.836 33 HE1 PHE 505 HE1 PHE 505 -2.840 -10.065 2.913 34 HE2 PHE 505 HE2 PHE 505 -1.934 -11.557 -0.966 35 HZ PHE 505 HZ PHE 505 -2.413 -11.962 1.408 36 H THR 506 H THR 506 -4.633 -4.381 0.269 37 HA THR 506 HA THR 506 -3.529 -2.494 -1.607 38 HB THR 506 HB THR 506 -5.587 -3.334 -2.761 39 HG1 THR 506 HG1 THR 506 -6.197 -0.693 -1.971 40 1HG2 THR 506 1HG2 THR 506 -7.817 -2.767 -1.855 41 2HG2 THR 506 2HG2 THR 506 -7.055 -2.175 -0.380 42 3HG2 THR 506 3HG2 THR 506 -6.949 -3.883 -0.798 43 H PHE 507 H PHE 507 -4.218 -0.257 -0.951 44 HA PHE 507 HA PHE 507 -4.673 -0.000 1.946 45 1HB PHE 507 1HB PHE 507 -3.911 2.076 -0.142 46 2HB PHE 507 2HB PHE 507 -4.052 2.362 1.582 47 HD1 PHE 507 HD1 PHE 507 -1.954 1.229 -1.100 48 HD2 PHE 507 HD2 PHE 507 -2.383 1.351 3.121 49 HE1 PHE 507 HE1 PHE 507 0.445 0.753 -0.852 50 HE2 PHE 507 HE2 PHE 507 0.006 0.884 3.388 51 HZ PHE 507 HZ PHE 507 1.432 0.578 1.395 52 H GLU 508 H GLU 508 -6.290 1.610 2.554 53 HA GLU 508 HA GLU 508 -8.411 1.604 0.585 54 1HB GLU 508 1HB GLU 508 -9.864 2.381 2.548 55 2HB GLU 508 2HB GLU 508 -9.344 0.700 2.483 56 1HG GLU 508 1HG GLU 508 -7.845 0.978 4.185 57 2HG GLU 508 2HG GLU 508 -7.866 2.754 4.083 58 H GLU 509 H GLU 509 -6.324 3.685 2.336 59 HA GLU 509 HA GLU 509 -7.505 5.882 0.841 60 1HB GLU 509 1HB GLU 509 -6.593 7.437 2.506 61 2HB GLU 509 2HB GLU 509 -7.611 6.256 3.303 62 1HG GLU 509 1HG GLU 509 -5.454 5.029 3.884 63 2HG GLU 509 2HG GLU 509 -4.635 6.485 3.307 64 HA PRO 510 HA PRO 510 -3.590 5.442 -1.258 65 1HB PRO 510 1HB PRO 510 -4.145 6.994 -3.371 66 2HB PRO 510 2HB PRO 510 -4.869 5.393 -3.187 67 1HG PRO 510 1HG PRO 510 -6.059 8.077 -2.681 68 2HG PRO 510 2HG PRO 510 -6.812 6.629 -3.370 69 1HD PRO 510 1HD PRO 510 -7.085 7.472 -0.733 70 2HD PRO 510 2HD PRO 510 -7.374 5.822 -1.314 71 H VAL 511 H VAL 511 -4.853 8.079 0.309 72 HA VAL 511 HA VAL 511 -2.359 9.595 0.188 73 HB VAL 511 HB VAL 511 -5.104 10.857 -0.262 74 1HG1 VAL 511 1HG1 VAL 511 -2.424 12.130 0.050 75 2HG1 VAL 511 2HG1 VAL 511 -3.780 12.242 1.168 76 3HG1 VAL 511 3HG1 VAL 511 -3.893 12.984 -0.434 77 1HG2 VAL 511 1HG2 VAL 511 -4.298 11.585 -2.404 78 2HG2 VAL 511 2HG2 VAL 511 -4.114 9.818 -2.278 79 3HG2 VAL 511 3HG2 VAL 511 -2.716 10.885 -2.068 80 H THR 512 H THR 512 -1.843 10.288 2.119 81 HA THR 512 HA THR 512 -3.950 10.612 4.057 82 HB THR 512 HB THR 512 -2.873 8.285 4.268 83 HG1 THR 512 HG1 THR 512 -3.918 8.886 5.896 84 1HG2 THR 512 1HG2 THR 512 -0.559 9.927 5.301 85 2HG2 THR 512 2HG2 THR 512 -0.571 8.938 3.838 86 3HG2 THR 512 3HG2 THR 512 -0.705 8.170 5.429 87 H HIS 513 H HIS 513 -3.324 12.077 5.739 88 HA HIS 513 HA HIS 513 -0.995 13.734 5.063 89 1HB HIS 513 1HB HIS 513 -3.744 14.580 5.976 90 2HB HIS 513 2HB HIS 513 -2.341 15.611 6.224 91 HD1 HIS 513 HD1 HIS 513 -4.788 14.557 3.626 92 HD2 HIS 513 HD2 HIS 513 -1.195 16.615 3.863 93 HE1 HIS 513 HE1 HIS 513 -4.500 15.741 1.416 94 H VAL 514 H VAL 514 0.484 13.650 6.554 95 HA VAL 514 HA VAL 514 -0.414 12.931 9.242 96 HB VAL 514 HB VAL 514 1.738 11.890 9.687 97 1HG1 VAL 514 1HG1 VAL 514 0.400 10.873 7.198 98 2HG1 VAL 514 2HG1 VAL 514 0.010 10.440 8.864 99 3HG1 VAL 514 3HG1 VAL 514 1.553 9.953 8.152 100 1HG2 VAL 514 1HG2 VAL 514 2.407 12.510 6.809 101 2HG2 VAL 514 2HG2 VAL 514 3.372 11.499 7.884 102 3HG2 VAL 514 3HG2 VAL 514 3.169 13.218 8.233 103 H SER 515 H SER 515 0.705 13.764 10.985 104 HA SER 515 HA SER 515 1.194 16.556 10.701 105 1HB SER 515 1HB SER 515 -0.054 15.611 12.604 106 2HB SER 515 2HB SER 515 1.369 14.710 13.096 107 HG SER 515 HG SER 515 0.724 16.885 14.012 108 H GLU 516 H GLU 516 3.095 17.570 10.940 109 HA GLU 516 HA GLU 516 5.523 16.268 10.347 110 1HB GLU 516 1HB GLU 516 4.976 18.587 9.763 111 2HB GLU 516 2HB GLU 516 5.048 19.033 11.464 112 1HG GLU 516 1HG GLU 516 7.427 18.228 11.428 113 2HG GLU 516 2HG GLU 516 7.234 18.088 9.692 114 H SER 517 H SER 517 3.860 16.478 13.261 115 HA SER 517 HA SER 517 6.322 16.183 14.839 116 1HB SER 517 1HB SER 517 4.935 18.231 15.349 117 2HB SER 517 2HB SER 517 3.618 17.157 15.809 118 HG SER 517 HG SER 517 5.151 16.244 17.361 119 H ILE 518 H ILE 518 4.604 14.205 13.318 120 HA ILE 518 HA ILE 518 3.561 12.600 15.514 121 HB ILE 518 HB ILE 518 2.325 12.859 13.278 122 1HG1 ILE 518 1HG1 ILE 518 2.964 10.045 14.137 123 2HG1 ILE 518 2HG1 ILE 518 1.860 11.120 14.991 124 1HG2 ILE 518 1HG2 ILE 518 4.226 12.569 11.769 125 2HG2 ILE 518 2HG2 ILE 518 3.002 11.332 11.472 126 3HG2 ILE 518 3HG2 ILE 518 4.463 10.927 12.370 127 1HD1 ILE 518 1HD1 ILE 518 0.506 11.292 13.042 128 2HD1 ILE 518 2HD1 ILE 518 0.687 9.594 13.566 129 3HD1 ILE 518 3HD1 ILE 518 1.593 10.210 12.167 130 H GLY 519 H GLY 519 4.345 10.479 15.936 131 1HA GLY 519 1HA GLY 519 7.183 10.273 15.308 132 2HA GLY 519 2HA GLY 519 6.327 9.404 16.587 133 H ILE 520 H ILE 520 4.494 8.025 15.629 134 HA ILE 520 HA ILE 520 5.629 6.543 13.371 135 HB ILE 520 HB ILE 520 4.291 5.476 15.864 136 1HG1 ILE 520 1HG1 ILE 520 6.700 5.873 16.054 137 2HG1 ILE 520 2HG1 ILE 520 6.323 4.156 16.141 138 1HG2 ILE 520 1HG2 ILE 520 4.925 3.938 13.356 139 2HG2 ILE 520 2HG2 ILE 520 3.324 4.285 14.009 140 3HG2 ILE 520 3HG2 ILE 520 4.423 3.220 14.890 141 1HD1 ILE 520 1HD1 ILE 520 7.013 3.932 13.780 142 2HD1 ILE 520 2HD1 ILE 520 8.311 4.518 14.824 143 3HD1 ILE 520 3HD1 ILE 520 7.445 5.641 13.777 144 H MET 521 H MET 521 4.407 6.713 11.704 145 HA MET 521 HA MET 521 1.511 6.907 12.126 146 1HB MET 521 1HB MET 521 1.307 7.607 9.795 147 2HB MET 521 2HB MET 521 2.519 8.611 10.567 148 1HG MET 521 1HG MET 521 4.276 7.355 9.503 149 2HG MET 521 2HG MET 521 3.100 6.234 8.816 150 1HE MET 521 1HE MET 521 3.871 6.531 6.388 151 2HE MET 521 2HE MET 521 5.192 7.575 6.928 152 3HE MET 521 3HE MET 521 4.138 8.087 5.605 153 H GLU 522 H GLU 522 0.296 5.253 11.815 154 HA GLU 522 HA GLU 522 1.417 3.010 10.340 155 1HB GLU 522 1HB GLU 522 -0.285 3.065 12.789 156 2HB GLU 522 2HB GLU 522 -0.322 1.690 11.704 157 1HG GLU 522 1HG GLU 522 2.000 1.311 12.016 158 2HG GLU 522 2HG GLU 522 2.161 2.771 13.007 159 H VAL 523 H VAL 523 0.379 2.320 8.720 160 HA VAL 523 HA VAL 523 -2.246 3.510 8.135 161 HB VAL 523 HB VAL 523 -0.215 2.457 6.159 162 1HG1 VAL 523 1HG1 VAL 523 -1.558 3.661 4.492 163 2HG1 VAL 523 2HG1 VAL 523 -2.694 4.130 5.754 164 3HG1 VAL 523 3HG1 VAL 523 -2.506 2.429 5.328 165 1HG2 VAL 523 1HG2 VAL 523 0.345 4.756 5.682 166 2HG2 VAL 523 2HG2 VAL 523 0.668 4.381 7.373 167 3HG2 VAL 523 3HG2 VAL 523 -0.766 5.320 6.929 168 H LYS 524 H LYS 524 -3.872 2.167 7.867 169 HA LYS 524 HA LYS 524 -3.549 -0.625 8.338 170 1HB LYS 524 1HB LYS 524 -5.939 1.080 7.739 171 2HB LYS 524 2HB LYS 524 -6.048 -0.654 7.985 172 1HG LYS 524 1HG LYS 524 -4.807 1.182 9.966 173 2HG LYS 524 2HG LYS 524 -6.545 0.787 10.021 174 1HD LYS 524 1HD LYS 524 -5.843 -1.614 10.118 175 2HD LYS 524 2HD LYS 524 -4.175 -1.078 10.268 176 1HE LYS 524 1HE LYS 524 -5.185 -1.684 12.390 177 2HE LYS 524 2HE LYS 524 -4.688 0.015 12.376 178 1HZ LYS 524 1HZ LYS 524 -7.004 0.647 12.068 179 2HZ LYS 524 2HZ LYS 524 -6.916 -0.418 13.384 180 3HZ LYS 524 3HZ LYS 524 -7.465 -0.963 11.908 181 H VAL 525 H VAL 525 -3.345 -2.121 7.029 182 HA VAL 525 HA VAL 525 -3.790 -1.753 4.126 183 HB VAL 525 HB VAL 525 -2.402 -4.095 5.413 184 1HG1 VAL 525 1HG1 VAL 525 -3.024 -4.384 3.094 185 2HG1 VAL 525 2HG1 VAL 525 -1.267 -4.297 3.248 186 3HG1 VAL 525 3HG1 VAL 525 -2.172 -2.900 2.659 187 1HG2 VAL 525 1HG2 VAL 525 -1.276 -2.145 6.219 188 2HG2 VAL 525 2HG2 VAL 525 -1.103 -1.518 4.577 189 3HG2 VAL 525 3HG2 VAL 525 -0.252 -2.990 5.060 190 H LEU 526 H LEU 526 -5.218 -3.146 3.086 191 HA LEU 526 HA LEU 526 -6.984 -4.543 4.898 192 1HB LEU 526 1HB LEU 526 -7.303 -3.971 1.944 193 2HB LEU 526 2HB LEU 526 -8.485 -4.770 2.956 194 HG LEU 526 HG LEU 526 -9.245 -2.516 2.648 195 1HD1 LEU 526 1HD1 LEU 526 -9.317 -1.614 4.851 196 2HD1 LEU 526 2HD1 LEU 526 -8.013 -2.683 5.358 197 3HD1 LEU 526 3HD1 LEU 526 -9.570 -3.360 4.869 198 1HD2 LEU 526 1HD2 LEU 526 -7.944 -0.580 3.121 199 2HD2 LEU 526 2HD2 LEU 526 -7.112 -1.566 1.919 200 3HD2 LEU 526 3HD2 LEU 526 -6.565 -1.567 3.598 201 H ARG 527 H ARG 527 -7.359 -6.624 4.868 202 HA ARG 527 HA ARG 527 -5.315 -8.366 3.866 203 1HB ARG 527 1HB ARG 527 -6.537 -8.681 6.039 204 2HB ARG 527 2HB ARG 527 -7.986 -9.042 5.113 205 1HG ARG 527 1HG ARG 527 -6.506 -10.892 4.036 206 2HG ARG 527 2HG ARG 527 -5.513 -10.675 5.481 207 1HD ARG 527 1HD ARG 527 -7.107 -12.435 5.874 208 2HD ARG 527 2HD ARG 527 -7.533 -11.031 6.853 209 HE ARG 527 HE ARG 527 -8.895 -10.836 4.430 210 1HH1 ARG 527 1HH1 ARG 527 -8.938 -13.009 7.238 211 2HH1 ARG 527 2HH1 ARG 527 -10.601 -13.296 7.143 212 1HH2 ARG 527 1HH2 ARG 527 -11.204 -11.229 4.332 213 2HH2 ARG 527 2HH2 ARG 527 -11.913 -12.260 5.479 214 H THR 528 H THR 528 -5.722 -10.098 2.446 215 HA THR 528 HA THR 528 -7.231 -9.690 0.153 216 HB THR 528 HB THR 528 -5.326 -11.104 0.050 217 HG1 THR 528 HG1 THR 528 -6.475 -13.254 -0.509 218 1HG2 THR 528 1HG2 THR 528 -5.231 -11.871 2.364 219 2HG2 THR 528 2HG2 THR 528 -5.149 -13.251 1.267 220 3HG2 THR 528 3HG2 THR 528 -6.656 -12.879 2.104 221 H SER 529 H SER 529 -9.009 -11.056 -0.641 222 HA SER 529 HA SER 529 -11.108 -11.300 1.294 223 1HB SER 529 1HB SER 529 -11.450 -10.426 -1.045 224 2HB SER 529 2HB SER 529 -11.084 -12.034 -1.657 225 HG SER 529 HG SER 529 -13.378 -11.036 -0.579 226 H GLY 530 H GLY 530 -8.805 -13.348 -0.291 227 1HA GLY 530 1HA GLY 530 -9.965 -15.717 1.023 228 2HA GLY 530 2HA GLY 530 -9.131 -15.780 -0.527 229 H ALA 531 H ALA 531 -8.753 -15.929 2.823 230 HA ALA 531 HA ALA 531 -5.900 -15.332 2.632 231 1HB ALA 531 1HB ALA 531 -5.903 -15.105 5.041 232 2HB ALA 531 2HB ALA 531 -7.572 -15.666 5.120 233 3HB ALA 531 3HB ALA 531 -7.198 -14.124 4.352 234 H ARG 532 H ARG 532 -4.954 -17.142 1.864 235 HA ARG 532 HA ARG 532 -5.107 -19.528 3.541 236 1HB ARG 532 1HB ARG 532 -4.996 -19.404 0.521 237 2HB ARG 532 2HB ARG 532 -4.758 -20.866 1.461 238 1HG ARG 532 1HG ARG 532 -7.278 -19.217 1.335 239 2HG ARG 532 2HG ARG 532 -7.004 -20.784 0.564 240 1HD ARG 532 1HD ARG 532 -6.590 -21.750 2.788 241 2HD ARG 532 2HD ARG 532 -6.978 -20.203 3.508 242 HE ARG 532 HE ARG 532 -9.083 -21.020 1.850 243 1HH1 ARG 532 1HH1 ARG 532 -7.580 -21.786 4.945 244 2HH1 ARG 532 2HH1 ARG 532 -9.029 -22.277 5.698 245 1HH2 ARG 532 1HH2 ARG 532 -11.116 -21.676 2.910 246 2HH2 ARG 532 2HH2 ARG 532 -11.053 -22.219 4.528 247 H GLY 533 H GLY 533 -3.186 -19.858 4.430 248 1HA GLY 533 1HA GLY 533 -0.939 -20.424 4.364 249 2HA GLY 533 2HA GLY 533 -0.842 -19.769 2.736 250 H ASN 534 H ASN 534 1.176 -19.104 4.028 251 HA ASN 534 HA ASN 534 0.781 -16.554 5.410 252 1HB ASN 534 1HB ASN 534 2.267 -18.252 6.445 253 2HB ASN 534 2HB ASN 534 3.256 -18.248 4.996 254 1HD2 ASN 534 1HD2 ASN 534 1.928 -15.315 6.442 255 2HD2 ASN 534 2HD2 ASN 534 3.443 -14.738 6.969 256 H VAL 535 H VAL 535 1.285 -14.641 4.380 257 HA VAL 535 HA VAL 535 2.591 -14.842 1.771 258 HB VAL 535 HB VAL 535 0.169 -13.127 2.441 259 1HG1 VAL 535 1HG1 VAL 535 1.656 -13.462 -0.153 260 2HG1 VAL 535 2HG1 VAL 535 1.704 -12.018 0.863 261 3HG1 VAL 535 3HG1 VAL 535 0.203 -12.489 0.065 262 1HG2 VAL 535 1HG2 VAL 535 0.494 -15.522 0.680 263 2HG2 VAL 535 2HG2 VAL 535 -0.959 -14.513 0.718 264 3HG2 VAL 535 3HG2 VAL 535 -0.473 -15.434 2.153 265 H ILE 536 H ILE 536 4.165 -13.429 1.502 266 HA ILE 536 HA ILE 536 4.560 -11.396 3.564 267 HB ILE 536 HB ILE 536 6.474 -12.562 1.522 268 1HG1 ILE 536 1HG1 ILE 536 6.056 -13.962 3.490 269 2HG1 ILE 536 2HG1 ILE 536 7.711 -13.360 3.472 270 1HG2 ILE 536 1HG2 ILE 536 6.903 -10.364 3.493 271 2HG2 ILE 536 2HG2 ILE 536 6.960 -10.195 1.734 272 3HG2 ILE 536 3HG2 ILE 536 8.204 -11.123 2.585 273 1HD1 ILE 536 1HD1 ILE 536 7.070 -11.641 5.091 274 2HD1 ILE 536 2HD1 ILE 536 6.812 -13.277 5.708 275 3HD1 ILE 536 3HD1 ILE 536 5.439 -12.311 5.155 276 H VAL 537 H VAL 537 4.303 -9.332 3.144 277 HA VAL 537 HA VAL 537 3.971 -8.545 0.346 278 HB VAL 537 HB VAL 537 2.686 -7.183 2.725 279 1HG1 VAL 537 1HG1 VAL 537 2.161 -6.907 -0.223 280 2HG1 VAL 537 2HG1 VAL 537 2.975 -5.740 0.817 281 3HG1 VAL 537 3HG1 VAL 537 1.263 -6.096 1.062 282 1HG2 VAL 537 1HG2 VAL 537 0.555 -8.228 2.018 283 2HG2 VAL 537 2HG2 VAL 537 1.748 -9.400 2.575 284 3HG2 VAL 537 3HG2 VAL 537 1.449 -9.212 0.856 285 HA PRO 538 HA PRO 538 7.624 -6.162 1.752 286 1HB PRO 538 1HB PRO 538 8.536 -5.609 -0.727 287 2HB PRO 538 2HB PRO 538 8.819 -7.170 0.046 288 1HG PRO 538 1HG PRO 538 6.765 -6.405 -1.980 289 2HG PRO 538 2HG PRO 538 7.759 -7.870 -1.898 290 1HD PRO 538 1HD PRO 538 5.184 -7.791 -1.102 291 2HD PRO 538 2HD PRO 538 6.381 -8.862 -0.347 292 H TYR 539 H TYR 539 8.079 -3.970 1.781 293 HA TYR 539 HA TYR 539 6.555 -2.164 0.113 294 1HB TYR 539 1HB TYR 539 5.658 -0.876 1.991 295 2HB TYR 539 2HB TYR 539 5.081 -2.535 2.058 296 HD1 TYR 539 HD1 TYR 539 6.981 0.042 3.765 297 HD2 TYR 539 HD2 TYR 539 5.991 -4.086 3.750 298 HE1 TYR 539 HE1 TYR 539 7.758 -0.142 6.080 299 HE2 TYR 539 HE2 TYR 539 6.755 -4.285 6.065 300 HH TYR 539 HH TYR 539 7.305 -1.699 8.055 301 H LYS 540 H LYS 540 7.323 0.050 0.377 302 HA LYS 540 HA LYS 540 9.734 0.517 1.856 303 1HB LYS 540 1HB LYS 540 11.106 1.122 -0.037 304 2HB LYS 540 2HB LYS 540 10.645 -0.567 -0.152 305 1HG LYS 540 1HG LYS 540 9.085 -0.114 -1.862 306 2HG LYS 540 2HG LYS 540 9.206 1.628 -1.597 307 1HD LYS 540 1HD LYS 540 11.570 1.527 -2.272 308 2HD LYS 540 2HD LYS 540 11.368 -0.189 -2.635 309 1HE LYS 540 1HE LYS 540 9.695 1.969 -3.782 310 2HE LYS 540 2HE LYS 540 11.165 1.386 -4.589 311 1HZ LYS 540 1HZ LYS 540 9.150 0.337 -5.452 312 2HZ LYS 540 2HZ LYS 540 8.781 -0.300 -3.920 313 3HZ LYS 540 3HZ LYS 540 10.163 -0.784 -4.736 314 H THR 541 H THR 541 10.271 2.724 1.922 315 HA THR 541 HA THR 541 8.131 4.498 1.205 316 HB THR 541 HB THR 541 9.778 6.150 2.335 317 HG1 THR 541 HG1 THR 541 11.656 4.870 2.419 318 1HG2 THR 541 1HG2 THR 541 9.043 5.465 4.585 319 2HG2 THR 541 2HG2 THR 541 8.535 3.910 3.934 320 3HG2 THR 541 3HG2 THR 541 7.727 5.391 3.414 321 H ILE 542 H ILE 542 8.157 5.531 -0.667 322 HA ILE 542 HA ILE 542 10.659 5.843 -2.145 323 HB ILE 542 HB ILE 542 7.820 6.608 -2.937 324 1HG1 ILE 542 1HG1 ILE 542 8.163 4.777 -4.739 325 2HG1 ILE 542 2HG1 ILE 542 9.472 4.208 -3.716 326 1HG2 ILE 542 1HG2 ILE 542 10.321 6.664 -4.599 327 2HG2 ILE 542 2HG2 ILE 542 9.409 8.052 -4.010 328 3HG2 ILE 542 3HG2 ILE 542 8.691 6.967 -5.202 329 1HD1 ILE 542 1HD1 ILE 542 6.593 4.460 -2.916 330 2HD1 ILE 542 2HD1 ILE 542 7.894 3.826 -1.904 331 3HD1 ILE 542 3HD1 ILE 542 7.406 2.958 -3.364 332 H GLU 543 H GLU 543 11.785 7.589 -1.807 333 HA GLU 543 HA GLU 543 11.250 9.566 0.013 334 1HB GLU 543 1HB GLU 543 12.943 10.044 -2.439 335 2HB GLU 543 2HB GLU 543 13.085 10.826 -0.877 336 1HG GLU 543 1HG GLU 543 14.849 9.353 -0.820 337 2HG GLU 543 2HG GLU 543 13.579 8.419 -0.031 338 H GLY 544 H GLY 544 10.767 9.724 -3.474 339 1HA GLY 544 1HA GLY 544 9.382 11.002 -4.735 340 2HA GLY 544 2HA GLY 544 8.531 11.435 -3.253 341 H THR 545 H THR 545 8.810 13.349 -2.447 342 HA THR 545 HA THR 545 10.913 14.995 -3.646 343 HB THR 545 HB THR 545 8.580 15.563 -4.406 344 HG1 THR 545 HG1 THR 545 9.240 17.507 -4.589 345 1HG2 THR 545 1HG2 THR 545 8.216 16.388 -1.519 346 2HG2 THR 545 2HG2 THR 545 7.369 15.079 -2.335 347 3HG2 THR 545 3HG2 THR 545 7.090 16.750 -2.825 348 H ALA 546 H ALA 546 10.310 13.406 -0.948 349 HA ALA 546 HA ALA 546 10.695 15.549 0.965 350 1HB ALA 546 1HB ALA 546 9.217 13.688 1.525 351 2HB ALA 546 2HB ALA 546 10.578 13.774 2.646 352 3HB ALA 546 3HB ALA 546 10.562 12.563 1.371 353 H ARG 547 H ARG 547 12.426 15.178 2.644 354 HA ARG 547 HA ARG 547 14.957 15.023 1.374 355 1HB ARG 547 1HB ARG 547 14.190 15.224 4.276 356 2HB ARG 547 2HB ARG 547 15.841 15.003 3.754 357 1HG ARG 547 1HG ARG 547 14.076 17.308 3.035 358 2HG ARG 547 2HG ARG 547 15.356 17.249 4.276 359 1HD ARG 547 1HD ARG 547 16.972 16.677 2.496 360 2HD ARG 547 2HD ARG 547 15.691 16.938 1.310 361 HE ARG 547 HE ARG 547 16.216 19.150 3.078 362 1HH1 ARG 547 1HH1 ARG 547 16.936 17.624 -0.043 363 2HH1 ARG 547 2HH1 ARG 547 17.554 19.055 -0.733 364 1HH2 ARG 547 1HH2 ARG 547 17.073 21.105 2.111 365 2HH2 ARG 547 2HH2 ARG 547 17.629 21.058 0.501 366 H GLY 548 H GLY 548 16.641 13.742 2.577 367 1HA GLY 548 1HA GLY 548 16.183 11.041 1.760 368 2HA GLY 548 2HA GLY 548 17.642 11.645 2.522 369 H GLY 549 H GLY 549 16.979 9.197 3.136 370 1HA GLY 549 1HA GLY 549 15.185 8.760 5.228 371 2HA GLY 549 2HA GLY 549 16.568 7.750 4.814 372 H GLY 550 H GLY 550 15.236 9.371 7.191 373 1HA GLY 550 1HA GLY 550 16.139 9.507 9.352 374 2HA GLY 550 2HA GLY 550 17.761 9.619 8.658 375 H GLU 551 H GLU 551 16.425 11.599 6.717 376 HA GLU 551 HA GLU 551 17.124 13.910 8.299 377 1HB GLU 551 1HB GLU 551 17.884 13.560 5.925 378 2HB GLU 551 2HB GLU 551 16.220 13.762 5.422 379 1HG GLU 551 1HG GLU 551 17.515 15.794 5.085 380 2HG GLU 551 2HG GLU 551 16.218 16.041 6.255 381 H ASP 552 H ASP 552 14.401 13.222 6.115 382 HA ASP 552 HA ASP 552 12.701 14.742 7.983 383 1HB ASP 552 1HB ASP 552 12.611 14.515 5.018 384 2HB ASP 552 2HB ASP 552 11.092 14.572 5.865 385 H PHE 553 H PHE 553 13.153 11.633 6.586 386 HA PHE 553 HA PHE 553 11.095 10.649 8.332 387 1HB PHE 553 1HB PHE 553 9.825 9.450 6.685 388 2HB PHE 553 2HB PHE 553 9.942 11.105 6.136 389 HD1 PHE 553 HD1 PHE 553 11.348 11.663 4.197 390 HD2 PHE 553 HD2 PHE 553 10.798 7.672 5.499 391 HE1 PHE 553 HE1 PHE 553 12.123 10.846 2.003 392 HE2 PHE 553 HE2 PHE 553 11.574 6.839 3.307 393 HZ PHE 553 HZ PHE 553 12.230 8.429 1.564 394 H GLU 554 H GLU 554 11.368 8.418 8.754 395 HA GLU 554 HA GLU 554 14.073 7.487 8.288 396 1HB GLU 554 1HB GLU 554 12.608 7.461 10.450 397 2HB GLU 554 2HB GLU 554 11.839 6.083 9.732 398 1HG GLU 554 1HG GLU 554 14.713 6.375 10.542 399 2HG GLU 554 2HG GLU 554 13.487 5.424 11.345 400 H ASP 555 H ASP 555 14.465 6.148 6.606 401 HA ASP 555 HA ASP 555 12.366 5.433 4.798 402 1HB ASP 555 1HB ASP 555 14.634 6.122 4.069 403 2HB ASP 555 2HB ASP 555 15.264 4.628 4.737 404 H THR 556 H THR 556 11.079 3.853 5.302 405 HA THR 556 HA THR 556 12.268 1.491 6.481 406 HB THR 556 HB THR 556 10.501 2.497 7.888 407 HG1 THR 556 HG1 THR 556 9.092 0.555 7.951 408 1HG2 THR 556 1HG2 THR 556 8.143 2.366 7.200 409 2HG2 THR 556 2HG2 THR 556 8.659 1.910 5.572 410 3HG2 THR 556 3HG2 THR 556 9.070 3.502 6.220 411 H CYS 557 H CYS 557 12.564 -0.127 5.289 412 HA CYS 557 HA CYS 557 10.743 -0.765 3.147 413 1HB CYS 557 1HB CYS 557 12.954 -1.452 1.875 414 2HB CYS 557 2HB CYS 557 12.368 0.207 1.808 415 HG CYS 557 HG CYS 557 14.296 1.354 3.046 416 H GLY 558 H GLY 558 9.913 -2.609 3.791 417 1HA GLY 558 1HA GLY 558 11.648 -4.730 4.616 418 2HA GLY 558 2HA GLY 558 10.531 -4.126 5.842 419 H GLU 559 H GLU 559 9.374 -6.030 5.907 420 HA GLU 559 HA GLU 559 7.616 -6.476 3.650 421 1HB GLU 559 1HB GLU 559 9.430 -8.516 4.885 422 2HB GLU 559 2HB GLU 559 8.059 -8.934 3.856 423 1HG GLU 559 1HG GLU 559 9.094 -7.776 2.001 424 2HG GLU 559 2HG GLU 559 10.447 -7.277 3.025 425 H LEU 560 H LEU 560 5.624 -6.819 4.293 426 HA LEU 560 HA LEU 560 4.988 -7.060 7.123 427 1HB LEU 560 1HB LEU 560 3.289 -6.669 4.673 428 2HB LEU 560 2HB LEU 560 2.688 -6.716 6.313 429 HG LEU 560 HG LEU 560 4.604 -4.648 5.255 430 1HD1 LEU 560 1HD1 LEU 560 2.686 -3.146 5.291 431 2HD1 LEU 560 2HD1 LEU 560 1.613 -4.498 5.657 432 3HD1 LEU 560 3HD1 LEU 560 2.489 -4.448 4.127 433 1HD2 LEU 560 1HD2 LEU 560 3.037 -4.817 7.833 434 2HD2 LEU 560 2HD2 LEU 560 3.978 -3.428 7.302 435 3HD2 LEU 560 3HD2 LEU 560 4.787 -4.953 7.656 436 H GLU 561 H GLU 561 4.030 -8.858 7.973 437 HA GLU 561 HA GLU 561 3.828 -11.142 6.195 438 1HB GLU 561 1HB GLU 561 5.212 -11.378 8.212 439 2HB GLU 561 2HB GLU 561 3.800 -11.053 9.206 440 1HG GLU 561 1HG GLU 561 2.717 -13.043 8.090 441 2HG GLU 561 2HG GLU 561 4.312 -13.376 7.413 442 H PHE 562 H PHE 562 1.911 -11.517 5.383 443 HA PHE 562 HA PHE 562 -0.447 -11.203 7.077 444 1HB PHE 562 1HB PHE 562 -0.030 -11.105 4.120 445 2HB PHE 562 2HB PHE 562 -1.538 -11.775 4.710 446 HD1 PHE 562 HD1 PHE 562 0.455 -8.755 4.290 447 HD2 PHE 562 HD2 PHE 562 -3.150 -10.385 5.850 448 HE1 PHE 562 HE1 PHE 562 -0.518 -6.500 4.404 449 HE2 PHE 562 HE2 PHE 562 -4.127 -8.144 5.972 450 HZ PHE 562 HZ PHE 562 -2.818 -6.194 5.243 451 H GLN 563 H GLN 563 -1.968 -13.098 6.911 452 HA GLN 563 HA GLN 563 -1.158 -15.412 5.596 453 1HB GLN 563 1HB GLN 563 -0.827 -16.879 7.563 454 2HB GLN 563 2HB GLN 563 0.483 -15.735 7.343 455 1HG GLN 563 1HG GLN 563 -0.264 -14.448 9.168 456 2HG GLN 563 2HG GLN 563 -1.758 -15.394 9.321 457 1HE2 GLN 563 1HE2 GLN 563 1.702 -15.276 9.992 458 2HE2 GLN 563 2HE2 GLN 563 1.693 -16.724 10.908 459 H ASN 564 H ASN 564 -2.494 -17.316 6.603 460 HA ASN 564 HA ASN 564 -5.179 -16.708 6.141 461 1HB ASN 564 1HB ASN 564 -5.694 -18.975 6.679 462 2HB ASN 564 2HB ASN 564 -4.081 -19.008 5.994 463 1HD2 ASN 564 1HD2 ASN 564 -2.260 -19.465 7.447 464 2HD2 ASN 564 2HD2 ASN 564 -2.563 -20.196 8.953 465 H ASP 565 H ASP 565 -3.346 -16.796 9.054 466 HA ASP 565 HA ASP 565 -5.647 -16.539 10.812 467 1HB ASP 565 1HB ASP 565 -3.709 -17.950 11.424 468 2HB ASP 565 2HB ASP 565 -2.686 -16.525 11.433 469 H GLU 566 H GLU 566 -3.753 -14.432 9.021 470 HA GLU 566 HA GLU 566 -3.936 -12.290 10.993 471 1HB GLU 566 1HB GLU 566 -2.174 -12.694 8.635 472 2HB GLU 566 2HB GLU 566 -2.488 -11.072 9.229 473 1HG GLU 566 1HG GLU 566 -1.346 -13.338 10.830 474 2HG GLU 566 2HG GLU 566 -0.439 -12.002 10.102 475 H ILE 567 H ILE 567 -5.219 -10.688 10.764 476 HA ILE 567 HA ILE 567 -6.198 -10.065 8.084 477 HB ILE 567 HB ILE 567 -8.218 -9.091 8.996 478 1HG1 ILE 567 1HG1 ILE 567 -7.778 -10.023 11.771 479 2HG1 ILE 567 2HG1 ILE 567 -6.865 -8.600 11.258 480 1HG2 ILE 567 1HG2 ILE 567 -8.401 -11.473 8.580 481 2HG2 ILE 567 2HG2 ILE 567 -9.369 -11.036 9.988 482 3HG2 ILE 567 3HG2 ILE 567 -7.802 -11.816 10.200 483 1HD1 ILE 567 1HD1 ILE 567 -9.843 -8.926 11.097 484 2HD1 ILE 567 2HD1 ILE 567 -8.874 -7.533 10.580 485 3HD1 ILE 567 3HD1 ILE 567 -8.944 -7.968 12.294 486 H VAL 568 H VAL 568 -6.501 -7.762 7.805 487 HA VAL 568 HA VAL 568 -5.444 -5.833 7.477 488 HB VAL 568 HB VAL 568 -6.974 -5.670 9.609 489 1HG1 VAL 568 1HG1 VAL 568 -4.337 -5.095 10.882 490 2HG1 VAL 568 2HG1 VAL 568 -5.519 -6.323 11.342 491 3HG1 VAL 568 3HG1 VAL 568 -5.886 -4.604 11.556 492 1HG2 VAL 568 1HG2 VAL 568 -5.109 -3.412 8.896 493 2HG2 VAL 568 2HG2 VAL 568 -6.681 -3.280 9.711 494 3HG2 VAL 568 3HG2 VAL 568 -6.590 -3.850 8.049 495 H LYS 569 H LYS 569 -3.600 -4.233 8.395 496 HA LYS 569 HA LYS 569 -1.406 -5.346 9.772 497 1HB LYS 569 1HB LYS 569 -1.291 -6.378 7.331 498 2HB LYS 569 2HB LYS 569 -0.855 -4.750 6.867 499 1HG LYS 569 1HG LYS 569 1.184 -5.706 7.088 500 2HG LYS 569 2HG LYS 569 0.991 -5.030 8.711 501 1HD LYS 569 1HD LYS 569 0.601 -7.896 7.821 502 2HD LYS 569 2HD LYS 569 1.926 -7.268 8.787 503 1HE LYS 569 1HE LYS 569 0.339 -6.742 10.572 504 2HE LYS 569 2HE LYS 569 -0.971 -7.426 9.602 505 1HZ LYS 569 1HZ LYS 569 -0.316 -9.178 11.010 506 2HZ LYS 569 2HZ LYS 569 1.292 -8.776 10.891 507 3HZ LYS 569 3HZ LYS 569 0.551 -9.518 9.588 508 H THR 570 H THR 570 0.304 -3.630 9.842 509 HA THR 570 HA THR 570 -0.581 -1.085 8.768 510 HB THR 570 HB THR 570 0.424 -0.094 10.900 511 HG1 THR 570 HG1 THR 570 0.538 -1.294 12.649 512 1HG2 THR 570 1HG2 THR 570 -1.682 -0.203 12.110 513 2HG2 THR 570 2HG2 THR 570 -2.203 -1.562 11.112 514 3HG2 THR 570 3HG2 THR 570 -1.964 0.034 10.386 515 H ILE 571 H ILE 571 1.015 0.134 7.955 516 HA ILE 571 HA ILE 571 3.768 -0.829 8.237 517 HB ILE 571 HB ILE 571 2.674 1.420 6.485 518 1HG1 ILE 571 1HG1 ILE 571 3.622 -0.047 4.602 519 2HG1 ILE 571 2HG1 ILE 571 3.658 -1.338 5.793 520 1HG2 ILE 571 1HG2 ILE 571 4.892 1.963 7.256 521 2HG2 ILE 571 2HG2 ILE 571 4.888 1.615 5.526 522 3HG2 ILE 571 3HG2 ILE 571 5.500 0.413 6.665 523 1HD1 ILE 571 1HD1 ILE 571 1.238 0.192 4.925 524 2HD1 ILE 571 2HD1 ILE 571 1.282 -1.160 6.068 525 3HD1 ILE 571 3HD1 ILE 571 1.709 -1.417 4.374 526 H SER 572 H SER 572 4.950 0.061 9.791 527 HA SER 572 HA SER 572 4.052 2.590 10.904 528 1HB SER 572 1HB SER 572 5.602 1.967 12.795 529 2HB SER 572 2HB SER 572 4.270 0.836 12.563 530 HG SER 572 HG SER 572 5.796 -0.561 12.537 531 H VAL 573 H VAL 573 5.028 4.322 10.274 532 HA VAL 573 HA VAL 573 7.806 4.105 9.324 533 HB VAL 573 HB VAL 573 5.780 6.186 8.476 534 1HG1 VAL 573 1HG1 VAL 573 8.551 5.602 7.432 535 2HG1 VAL 573 2HG1 VAL 573 8.070 6.997 8.389 536 3HG1 VAL 573 3HG1 VAL 573 7.434 6.789 6.757 537 1HG2 VAL 573 1HG2 VAL 573 6.769 3.778 6.948 538 2HG2 VAL 573 2HG2 VAL 573 5.768 5.067 6.286 539 3HG2 VAL 573 3HG2 VAL 573 5.136 4.033 7.568 540 H LYS 574 H LYS 574 9.252 5.172 10.545 541 HA LYS 574 HA LYS 574 8.344 6.965 12.557 542 1HB LYS 574 1HB LYS 574 10.216 5.605 13.156 543 2HB LYS 574 2HB LYS 574 11.061 5.978 11.669 544 1HG LYS 574 1HG LYS 574 12.140 7.106 13.499 545 2HG LYS 574 2HG LYS 574 11.377 8.287 12.447 546 1HD LYS 574 1HD LYS 574 11.008 8.960 14.717 547 2HD LYS 574 2HD LYS 574 9.474 8.396 14.064 548 1HE LYS 574 1HE LYS 574 9.670 6.313 15.225 549 2HE LYS 574 2HE LYS 574 11.323 6.682 15.717 550 1HZ LYS 574 1HZ LYS 574 10.465 8.504 17.056 551 2HZ LYS 574 2HZ LYS 574 9.751 7.053 17.518 552 3HZ LYS 574 3HZ LYS 574 8.890 8.150 16.611 553 H VAL 575 H VAL 575 7.629 8.796 11.945 554 HA VAL 575 HA VAL 575 8.811 10.187 9.719 555 HB VAL 575 HB VAL 575 6.617 11.066 11.644 556 1HG1 VAL 575 1HG1 VAL 575 7.744 12.968 10.598 557 2HG1 VAL 575 2HG1 VAL 575 6.108 12.792 9.963 558 3HG1 VAL 575 3HG1 VAL 575 7.489 12.257 9.004 559 1HG2 VAL 575 1HG2 VAL 575 5.933 9.122 10.343 560 2HG2 VAL 575 2HG2 VAL 575 6.406 9.933 8.851 561 3HG2 VAL 575 3HG2 VAL 575 5.062 10.560 9.804 562 H ILE 576 H ILE 576 10.478 11.437 10.010 563 HA ILE 576 HA ILE 576 11.541 11.788 12.647 564 HB ILE 576 HB ILE 576 12.516 12.918 9.998 565 1HG1 ILE 576 1HG1 ILE 576 12.350 10.458 9.939 566 2HG1 ILE 576 2HG1 ILE 576 14.016 10.957 9.822 567 1HG2 ILE 576 1HG2 ILE 576 14.686 13.106 11.108 568 2HG2 ILE 576 2HG2 ILE 576 13.974 12.494 12.603 569 3HG2 ILE 576 3HG2 ILE 576 13.447 14.043 11.948 570 1HD1 ILE 576 1HD1 ILE 576 13.706 9.023 11.185 571 2HD1 ILE 576 2HD1 ILE 576 12.630 9.932 12.274 572 3HD1 ILE 576 3HD1 ILE 576 14.344 10.361 12.148 573 H ASP 577 H ASP 577 11.301 13.557 13.832 574 HA ASP 577 HA ASP 577 9.353 15.463 13.141 575 1HB ASP 577 1HB ASP 577 10.020 16.739 15.179 576 2HB ASP 577 2HB ASP 577 9.737 15.043 15.512 577 H ASP 578 H ASP 578 9.550 16.587 11.506 578 HA ASP 578 HA ASP 578 11.953 17.316 10.334 579 1HB ASP 578 1HB ASP 578 10.038 16.962 8.955 580 2HB ASP 578 2HB ASP 578 9.187 18.288 9.749 581 H GLU 579 H GLU 579 13.098 18.960 10.165 582 HA GLU 579 HA GLU 579 12.906 20.943 12.266 583 1HB GLU 579 1HB GLU 579 15.299 21.304 11.813 584 2HB GLU 579 2HB GLU 579 14.909 19.661 12.281 585 1HG GLU 579 1HG GLU 579 15.314 20.511 9.411 586 2HG GLU 579 2HG GLU 579 16.619 19.909 10.420 587 H GLU 580 H GLU 580 12.360 20.870 8.844 588 HA GLU 580 HA GLU 580 12.806 23.734 8.935 589 1HB GLU 580 1HB GLU 580 13.771 23.918 6.733 590 2HB GLU 580 2HB GLU 580 14.701 22.778 7.671 591 1HG GLU 580 1HG GLU 580 12.726 22.094 5.496 592 2HG GLU 580 2HG GLU 580 14.459 22.194 5.289 593 H TYR 581 H TYR 581 11.819 24.971 7.121 594 HA TYR 581 HA TYR 581 9.015 24.455 7.149 595 1HB TYR 581 1HB TYR 581 8.764 26.550 6.118 596 2HB TYR 581 2HB TYR 581 10.317 26.758 6.917 597 HD1 TYR 581 HD1 TYR 581 12.432 26.481 5.509 598 HD2 TYR 581 HD2 TYR 581 8.545 26.739 3.788 599 HE1 TYR 581 HE1 TYR 581 13.433 26.974 3.331 600 HE2 TYR 581 HE2 TYR 581 9.511 27.238 1.621 601 HH TYR 581 HH TYR 581 12.812 26.794 0.971 602 H GLU 582 H GLU 582 7.746 23.970 5.299 603 HA GLU 582 HA GLU 582 9.150 23.194 2.887 604 1HB GLU 582 1HB GLU 582 8.149 20.986 2.856 605 2HB GLU 582 2HB GLU 582 9.128 21.180 4.307 606 1HG GLU 582 1HG GLU 582 6.865 21.911 5.366 607 2HG GLU 582 2HG GLU 582 6.178 21.010 4.018 608 H LYS 583 H LYS 583 7.561 22.713 1.200 609 HA LYS 583 HA LYS 583 5.124 24.249 1.613 610 1HB LYS 583 1HB LYS 583 6.680 23.468 -0.763 611 2HB LYS 583 2HB LYS 583 5.086 24.225 -0.905 612 1HG LYS 583 1HG LYS 583 7.451 25.386 0.512 613 2HG LYS 583 2HG LYS 583 6.974 25.889 -1.127 614 1HD LYS 583 1HD LYS 583 4.784 26.623 -0.181 615 2HD LYS 583 2HD LYS 583 5.338 26.160 1.422 616 1HE LYS 583 1HE LYS 583 5.560 28.532 1.160 617 2HE LYS 583 2HE LYS 583 7.155 27.790 1.243 618 1HZ LYS 583 1HZ LYS 583 5.794 28.682 -1.250 619 2HZ LYS 583 2HZ LYS 583 7.360 28.046 -1.154 620 3HZ LYS 583 3HZ LYS 583 7.000 29.500 -0.415 621 H ASN 584 H ASN 584 5.720 21.842 2.370 622 HA ASN 584 HA ASN 584 4.672 19.922 3.023 623 1HB ASN 584 1HB ASN 584 2.879 20.731 0.877 624 2HB ASN 584 2HB ASN 584 2.596 19.154 1.669 625 1HD2 ASN 584 1HD2 ASN 584 2.130 19.329 3.981 626 2HD2 ASN 584 2HD2 ASN 584 1.363 20.748 4.606 627 H LYS 585 H LYS 585 6.328 18.608 2.680 628 HA LYS 585 HA LYS 585 6.621 17.617 -0.006 629 1HB LYS 585 1HB LYS 585 8.567 16.245 0.897 630 2HB LYS 585 2HB LYS 585 8.777 17.978 0.935 631 1HG LYS 585 1HG LYS 585 9.713 16.884 2.917 632 2HG LYS 585 2HG LYS 585 8.412 17.983 3.350 633 1HD LYS 585 1HD LYS 585 6.897 16.147 3.660 634 2HD LYS 585 2HD LYS 585 8.079 15.007 3.031 635 1HE LYS 585 1HE LYS 585 7.841 15.012 5.521 636 2HE LYS 585 2HE LYS 585 9.471 15.275 4.907 637 1HZ LYS 585 1HZ LYS 585 7.819 17.635 5.533 638 2HZ LYS 585 2HZ LYS 585 9.509 17.400 5.635 639 3HZ LYS 585 3HZ LYS 585 8.506 16.760 6.806 640 H THR 586 H THR 586 6.836 15.206 -0.336 641 HA THR 586 HA THR 586 5.140 13.691 1.391 642 HB THR 586 HB THR 586 3.453 14.776 0.021 643 HG1 THR 586 HG1 THR 586 3.291 12.486 0.396 644 1HG2 THR 586 1HG2 THR 586 3.374 14.596 -2.397 645 2HG2 THR 586 2HG2 THR 586 4.953 13.793 -2.404 646 3HG2 THR 586 3HG2 THR 586 4.810 15.476 -1.868 647 H PHE 587 H PHE 587 5.347 11.624 1.230 648 HA PHE 587 HA PHE 587 7.160 10.583 -0.729 649 1HB PHE 587 1HB PHE 587 7.971 9.002 1.209 650 2HB PHE 587 2HB PHE 587 8.709 10.571 0.987 651 HD1 PHE 587 HD1 PHE 587 6.141 8.787 3.029 652 HD2 PHE 587 HD2 PHE 587 8.830 12.039 2.726 653 HE1 PHE 587 HE1 PHE 587 5.813 9.338 5.479 654 HE2 PHE 587 HE2 PHE 587 8.522 12.549 5.101 655 HZ PHE 587 HZ PHE 587 7.009 11.181 6.465 656 H PHE 588 H PHE 588 6.874 8.345 -1.107 657 HA PHE 588 HA PHE 588 4.001 7.759 -0.821 658 1HB PHE 588 1HB PHE 588 5.803 6.622 -2.943 659 2HB PHE 588 2HB PHE 588 4.053 6.749 -2.931 660 HD1 PHE 588 HD1 PHE 588 3.096 9.196 -2.901 661 HD2 PHE 588 HD2 PHE 588 7.027 8.152 -4.104 662 HE1 PHE 588 HE1 PHE 588 3.279 11.321 -4.155 663 HE2 PHE 588 HE2 PHE 588 7.217 10.265 -5.355 664 HZ PHE 588 HZ PHE 588 5.335 11.849 -5.373 665 H LEU 589 H LEU 589 3.405 5.913 0.046 666 HA LEU 589 HA LEU 589 5.506 3.964 0.721 667 1HB LEU 589 1HB LEU 589 3.794 5.033 2.465 668 2HB LEU 589 2HB LEU 589 2.692 3.865 1.773 669 HG LEU 589 HG LEU 589 3.564 3.014 3.828 670 1HD1 LEU 589 1HD1 LEU 589 4.752 1.551 1.497 671 2HD1 LEU 589 2HD1 LEU 589 3.160 1.298 2.223 672 3HD1 LEU 589 3HD1 LEU 589 4.623 0.909 3.128 673 1HD2 LEU 589 1HD2 LEU 589 6.282 3.420 2.629 674 2HD2 LEU 589 2HD2 LEU 589 5.957 2.592 4.150 675 3HD2 LEU 589 3HD2 LEU 589 5.547 4.306 3.962 676 H GLU 590 H GLU 590 5.509 2.218 -0.547 677 HA GLU 590 HA GLU 590 2.992 1.464 -1.846 678 1HB GLU 590 1HB GLU 590 4.439 2.660 -3.461 679 2HB GLU 590 2HB GLU 590 5.720 1.505 -3.142 680 1HG GLU 590 1HG GLU 590 4.221 -0.297 -3.978 681 2HG GLU 590 2HG GLU 590 3.058 0.948 -4.426 682 H ILE 591 H ILE 591 2.544 -0.583 -1.750 683 HA ILE 591 HA ILE 591 4.518 -2.397 -0.639 684 HB ILE 591 HB ILE 591 2.587 -3.992 -0.419 685 1HG1 ILE 591 1HG1 ILE 591 0.909 -1.591 -1.211 686 2HG1 ILE 591 2HG1 ILE 591 1.100 -3.076 -2.134 687 1HG2 ILE 591 1HG2 ILE 591 2.361 -1.367 1.033 688 2HG2 ILE 591 2HG2 ILE 591 3.245 -2.818 1.537 689 3HG2 ILE 591 3HG2 ILE 591 1.489 -2.826 1.487 690 1HD1 ILE 591 1HD1 ILE 591 -1.031 -3.015 -0.975 691 2HD1 ILE 591 2HD1 ILE 591 -0.196 -2.818 0.565 692 3HD1 ILE 591 3HD1 ILE 591 -0.017 -4.320 -0.348 693 H GLY 592 H GLY 592 5.108 -4.200 -1.785 694 1HA GLY 592 1HA GLY 592 4.802 -3.808 -4.667 695 2HA GLY 592 2HA GLY 592 6.073 -4.728 -3.880 696 H GLU 593 H GLU 593 5.935 -6.666 -4.638 697 HA GLU 593 HA GLU 593 3.427 -7.893 -5.343 698 1HB GLU 593 1HB GLU 593 5.283 -8.209 -6.821 699 2HB GLU 593 2HB GLU 593 6.289 -8.820 -5.510 700 1HG GLU 593 1HG GLU 593 4.453 -10.631 -5.301 701 2HG GLU 593 2HG GLU 593 4.016 -10.113 -6.930 702 HA PRO 594 HA PRO 594 3.500 -9.960 -1.344 703 1HB PRO 594 1HB PRO 594 0.990 -10.972 -1.486 704 2HB PRO 594 2HB PRO 594 1.298 -9.285 -1.053 705 1HG PRO 594 1HG PRO 594 0.433 -10.439 -3.641 706 2HG PRO 594 2HG PRO 594 -0.104 -8.959 -2.838 707 1HD PRO 594 1HD PRO 594 1.730 -9.057 -4.890 708 2HD PRO 594 2HD PRO 594 1.667 -7.741 -3.703 709 H ARG 595 H ARG 595 4.080 -12.021 -0.990 710 HA ARG 595 HA ARG 595 3.696 -13.904 -3.182 711 1HB ARG 595 1HB ARG 595 6.073 -14.693 -2.781 712 2HB ARG 595 2HB ARG 595 5.868 -13.161 -3.615 713 1HG ARG 595 1HG ARG 595 6.265 -12.017 -1.429 714 2HG ARG 595 2HG ARG 595 6.663 -13.595 -0.747 715 1HD ARG 595 1HD ARG 595 8.655 -12.357 -1.419 716 2HD ARG 595 2HD ARG 595 8.482 -13.849 -2.343 717 HE ARG 595 HE ARG 595 7.281 -12.038 -3.955 718 1HH1 ARG 595 1HH1 ARG 595 10.498 -12.109 -2.502 719 2HH1 ARG 595 2HH1 ARG 595 11.170 -11.056 -3.662 720 1HH2 ARG 595 1HH2 ARG 595 8.180 -10.783 -5.509 721 2HH2 ARG 595 2HH2 ARG 595 9.830 -10.279 -5.485 722 H LEU 596 H LEU 596 3.421 -15.976 -2.701 723 HA LEU 596 HA LEU 596 2.401 -16.493 -0.062 724 1HB LEU 596 1HB LEU 596 1.840 -17.401 -2.589 725 2HB LEU 596 2HB LEU 596 2.740 -18.750 -1.927 726 HG LEU 596 HG LEU 596 0.592 -19.381 -1.490 727 1HD1 LEU 596 1HD1 LEU 596 1.202 -17.815 0.969 728 2HD1 LEU 596 2HD1 LEU 596 1.751 -19.449 0.595 729 3HD1 LEU 596 3HD1 LEU 596 0.029 -19.122 0.828 730 1HD2 LEU 596 1HD2 LEU 596 -0.539 -17.460 -2.369 731 2HD2 LEU 596 2HD2 LEU 596 -0.128 -16.511 -0.947 732 3HD2 LEU 596 3HD2 LEU 596 -1.241 -17.873 -0.805 733 H VAL 597 H VAL 597 3.596 -17.341 1.505 734 HA VAL 597 HA VAL 597 6.320 -18.226 0.973 735 HB VAL 597 HB VAL 597 4.884 -18.206 3.625 736 1HG1 VAL 597 1HG1 VAL 597 6.917 -19.512 3.621 737 2HG1 VAL 597 2HG1 VAL 597 7.131 -18.046 4.577 738 3HG1 VAL 597 3HG1 VAL 597 7.819 -18.150 2.956 739 1HG2 VAL 597 1HG2 VAL 597 4.758 -15.989 2.693 740 2HG2 VAL 597 2HG2 VAL 597 6.499 -15.995 2.377 741 3HG2 VAL 597 3HG2 VAL 597 5.896 -16.025 4.041 742 H GLU 598 H GLU 598 3.312 -19.518 2.242 743 HA GLU 598 HA GLU 598 4.515 -22.108 2.669 744 1HB GLU 598 1HB GLU 598 1.671 -21.192 3.068 745 2HB GLU 598 2HB GLU 598 2.264 -22.798 3.443 746 1HG GLU 598 1HG GLU 598 3.878 -21.720 5.032 747 2HG GLU 598 2HG GLU 598 3.020 -20.207 4.746 748 H MET 599 H MET 599 4.077 -23.915 1.570 749 HA MET 599 HA MET 599 2.874 -23.443 -1.027 750 1HB MET 599 1HB MET 599 3.912 -25.579 -1.732 751 2HB MET 599 2HB MET 599 5.078 -24.365 -1.251 752 1HG MET 599 1HG MET 599 5.529 -25.475 0.793 753 2HG MET 599 2HG MET 599 4.155 -26.562 0.583 754 1HE MET 599 1HE MET 599 3.980 -28.346 -1.201 755 2HE MET 599 2HE MET 599 5.254 -28.829 -2.327 756 3HE MET 599 3HE MET 599 4.420 -27.293 -2.544 757 H SER 600 H SER 600 0.806 -23.656 -0.864 758 HA SER 600 HA SER 600 -0.235 -26.246 -0.132 759 1HB SER 600 1HB SER 600 -0.330 -24.852 1.864 760 2HB SER 600 2HB SER 600 -1.217 -23.603 0.986 761 HG SER 600 HG SER 600 -2.021 -26.190 1.762 762 H GLU 601 H GLU 601 -1.415 -26.861 -1.764 763 HA GLU 601 HA GLU 601 -2.625 -26.951 -3.674 764 1HB GLU 601 1HB GLU 601 -3.725 -24.264 -2.782 765 2HB GLU 601 2HB GLU 601 -4.438 -25.314 -3.999 766 1HG GLU 601 1HG GLU 601 -4.190 -25.852 -1.052 767 2HG GLU 601 2HG GLU 601 -5.665 -25.559 -1.969 768 H LYS 602 H LYS 602 -0.060 -25.806 -3.616 769 HA LYS 602 HA LYS 602 0.003 -23.605 -5.499 770 1HB LYS 602 1HB LYS 602 1.460 -23.727 -3.444 771 2HB LYS 602 2HB LYS 602 2.240 -25.127 -4.132 772 1HG LYS 602 1HG LYS 602 3.758 -23.427 -4.518 773 2HG LYS 602 2HG LYS 602 2.916 -23.538 -6.056 774 1HD LYS 602 1HD LYS 602 2.157 -21.535 -3.918 775 2HD LYS 602 2HD LYS 602 3.379 -21.197 -5.130 776 1HE LYS 602 1HE LYS 602 0.462 -21.818 -5.680 777 2HE LYS 602 2HE LYS 602 1.225 -20.248 -5.720 778 1HZ LYS 602 1HZ LYS 602 0.956 -21.341 -7.909 779 2HZ LYS 602 2HZ LYS 602 2.174 -22.443 -7.483 780 3HZ LYS 602 3HZ LYS 602 2.501 -20.804 -7.582 781 H LYS 603 H LYS 603 -0.614 -24.484 -7.471 782 HA LYS 603 HA LYS 603 1.231 -26.428 -8.644 783 1HB LYS 603 1HB LYS 603 -1.770 -26.684 -8.670 784 2HB LYS 603 2HB LYS 603 -0.735 -27.509 -9.816 785 1HG LYS 603 1HG LYS 603 0.366 -28.659 -7.918 786 2HG LYS 603 2HG LYS 603 -0.792 -27.887 -6.832 787 1HD LYS 603 1HD LYS 603 -2.636 -28.939 -7.980 788 2HD LYS 603 2HD LYS 603 -1.537 -29.635 -9.169 789 1HE LYS 603 1HE LYS 603 -0.469 -30.949 -7.410 790 2HE LYS 603 2HE LYS 603 -1.561 -30.244 -6.217 791 1HZ LYS 603 1HZ LYS 603 -2.326 -32.405 -6.916 792 2HZ LYS 603 2HZ LYS 603 -2.408 -31.914 -8.535 793 3HZ LYS 603 3HZ LYS 603 -3.413 -31.217 -7.371 794 H GLY 604 H GLY 604 1.414 -26.354 -10.858 795 1HA GLY 604 1HA GLY 604 0.202 -24.026 -12.192 796 2HA GLY 604 2HA GLY 604 1.820 -24.639 -12.550 797 H GLY 605 H GLY 605 -1.578 -25.430 -12.617 798 1HA GLY 605 1HA GLY 605 -1.237 -27.899 -13.955 799 2HA GLY 605 2HA GLY 605 -2.747 -27.041 -13.704 800 H PHE 606 H PHE 606 -0.282 -27.842 -15.829 801 HA PHE 606 HA PHE 606 -0.026 -27.727 -18.076 802 1HB PHE 606 1HB PHE 606 -2.925 -26.851 -18.116 803 2HB PHE 606 2HB PHE 606 -2.028 -27.581 -19.445 804 HD1 PHE 606 HD1 PHE 606 -4.227 -28.176 -16.762 805 HD2 PHE 606 HD2 PHE 606 -1.052 -29.959 -18.938 806 HE1 PHE 606 HE1 PHE 606 -4.938 -30.395 -15.970 807 HE2 PHE 606 HE2 PHE 606 -1.751 -32.178 -18.159 808 HZ PHE 606 HZ PHE 606 -3.699 -32.400 -16.669 809 H THR 607 H THR 607 0.664 -25.390 -16.529 810 HA THR 607 HA THR 607 -0.117 -23.066 -17.933 811 HB THR 607 HB THR 607 1.945 -22.191 -16.663 812 HG1 THR 607 HG1 THR 607 2.989 -23.875 -15.748 813 1HG2 THR 607 1HG2 THR 607 -0.483 -23.260 -15.211 814 2HG2 THR 607 2HG2 THR 607 -0.367 -21.703 -16.032 815 3HG2 THR 607 3HG2 THR 607 0.600 -22.015 -14.590 816 H ILE 608 H ILE 608 0.746 -22.199 -19.706 817 HA ILE 608 HA ILE 608 2.921 -23.645 -20.986 818 HB ILE 608 HB ILE 608 1.227 -21.412 -22.018 819 1HG1 ILE 608 1HG1 ILE 608 -0.230 -23.291 -21.514 820 2HG1 ILE 608 2HG1 ILE 608 -0.104 -23.119 -23.257 821 1HG2 ILE 608 1HG2 ILE 608 3.308 -21.686 -23.293 822 2HG2 ILE 608 2HG2 ILE 608 1.950 -22.204 -24.293 823 3HG2 ILE 608 3HG2 ILE 608 2.974 -23.406 -23.510 824 1HD1 ILE 608 1HD1 ILE 608 1.355 -25.141 -21.567 825 2HD1 ILE 608 2HD1 ILE 608 1.484 -24.978 -23.320 826 3HD1 ILE 608 3HD1 ILE 608 -0.052 -25.445 -22.585 827 H THR 609 H THR 609 4.427 -22.823 -19.499 828 HA THR 609 HA THR 609 5.990 -20.719 -20.393 829 HB THR 609 HB THR 609 4.158 -19.264 -19.516 830 HG1 THR 609 HG1 THR 609 5.826 -18.035 -19.217 831 1HG2 THR 609 1HG2 THR 609 4.853 -20.476 -16.835 832 2HG2 THR 609 2HG2 THR 609 3.342 -20.704 -17.712 833 3HG2 THR 609 3HG2 THR 609 3.761 -19.108 -17.079 834 H GLU 610 H GLU 610 7.732 -20.275 -18.780 835 HA GLU 610 HA GLU 610 8.028 -22.453 -16.838 836 1HB GLU 610 1HB GLU 610 10.126 -20.786 -18.248 837 2HB GLU 610 2HB GLU 610 10.481 -21.920 -16.950 838 1HG GLU 610 1HG GLU 610 9.634 -23.753 -18.296 839 2HG GLU 610 2HG GLU 610 9.212 -22.620 -19.573 840 H GLU 611 H GLU 611 7.135 -19.358 -17.205 841 HA GLU 611 HA GLU 611 8.417 -18.156 -14.932 842 1HB GLU 611 1HB GLU 611 6.194 -17.251 -16.767 843 2HB GLU 611 2HB GLU 611 6.907 -16.228 -15.540 844 1HG GLU 611 1HG GLU 611 8.335 -17.413 -17.907 845 2HG GLU 611 2HG GLU 611 7.791 -15.741 -17.750 846 H TYR 612 H TYR 612 7.355 -20.341 -13.998 847 HA TYR 612 HA TYR 612 4.685 -20.087 -13.002 848 1HB TYR 612 1HB TYR 612 5.647 -22.298 -13.372 849 2HB TYR 612 2HB TYR 612 6.992 -21.927 -12.304 850 HD1 TYR 612 HD1 TYR 612 6.755 -22.069 -9.934 851 HD2 TYR 612 HD2 TYR 612 3.426 -22.709 -12.462 852 HE1 TYR 612 HE1 TYR 612 5.500 -22.992 -8.017 853 HE2 TYR 612 HE2 TYR 612 2.152 -23.624 -10.565 854 HH TYR 612 HH TYR 612 2.895 -24.820 -8.337 855 H ASP 613 H ASP 613 4.145 -18.791 -11.330 856 HA ASP 613 HA ASP 613 4.302 -17.276 -9.700 857 1HB ASP 613 1HB ASP 613 6.020 -19.537 -8.745 858 2HB ASP 613 2HB ASP 613 5.724 -18.097 -7.758 859 H ASP 614 H ASP 614 5.717 -16.568 -11.787 860 HA ASP 614 HA ASP 614 8.433 -16.230 -11.678 861 1HB ASP 614 1HB ASP 614 8.171 -14.610 -13.458 862 2HB ASP 614 2HB ASP 614 7.123 -16.011 -13.671 863 H LYS 615 H LYS 615 9.536 -14.146 -11.841 864 HA LYS 615 HA LYS 615 8.868 -12.524 -9.507 865 1HB LYS 615 1HB LYS 615 11.546 -13.334 -10.625 866 2HB LYS 615 2HB LYS 615 11.355 -12.081 -9.405 867 1HG LYS 615 1HG LYS 615 10.337 -13.705 -7.888 868 2HG LYS 615 2HG LYS 615 10.519 -14.964 -9.110 869 1HD LYS 615 1HD LYS 615 12.925 -14.770 -9.003 870 2HD LYS 615 2HD LYS 615 12.792 -13.388 -7.914 871 1HE LYS 615 1HE LYS 615 13.347 -15.411 -6.667 872 2HE LYS 615 2HE LYS 615 11.761 -14.805 -6.224 873 1HZ LYS 615 1HZ LYS 615 11.841 -17.223 -6.505 874 2HZ LYS 615 2HZ LYS 615 12.192 -17.043 -8.146 875 3HZ LYS 615 3HZ LYS 615 10.722 -16.499 -7.519 876 H GLN 616 H GLN 616 8.071 -12.203 -12.362 877 HA GLN 616 HA GLN 616 9.427 -9.838 -13.301 878 1HB GLN 616 1HB GLN 616 6.688 -10.966 -13.992 879 2HB GLN 616 2HB GLN 616 7.514 -9.700 -14.875 880 1HG GLN 616 1HG GLN 616 9.161 -11.240 -15.669 881 2HG GLN 616 2HG GLN 616 8.552 -12.511 -14.606 882 1HE2 GLN 616 1HE2 GLN 616 8.149 -13.898 -16.332 883 2HE2 GLN 616 2HE2 GLN 616 6.819 -13.663 -17.405 884 HA PRO 617 HA PRO 617 7.193 -7.010 -10.616 885 1HB PRO 617 1HB PRO 617 6.618 -5.119 -12.620 886 2HB PRO 617 2HB PRO 617 7.882 -4.995 -11.402 887 1HG PRO 617 1HG PRO 617 8.151 -5.594 -14.240 888 2HG PRO 617 2HG PRO 617 9.412 -5.255 -13.059 889 1HD PRO 617 1HD PRO 617 8.873 -7.744 -14.222 890 2HD PRO 617 2HD PRO 617 9.875 -7.457 -12.790 891 H LEU 618 H LEU 618 5.039 -5.903 -10.537 892 HA LEU 618 HA LEU 618 3.139 -7.811 -11.106 893 1HB LEU 618 1HB LEU 618 2.824 -4.940 -10.295 894 2HB LEU 618 2HB LEU 618 1.451 -6.018 -10.436 895 HG LEU 618 HG LEU 618 1.943 -5.864 -8.147 896 1HD1 LEU 618 1HD1 LEU 618 3.160 -8.437 -9.081 897 2HD1 LEU 618 2HD1 LEU 618 1.449 -8.104 -8.834 898 3HD1 LEU 618 3HD1 LEU 618 2.555 -8.099 -7.460 899 1HD2 LEU 618 1HD2 LEU 618 4.179 -4.887 -8.264 900 2HD2 LEU 618 2HD2 LEU 618 4.849 -6.449 -8.746 901 3HD2 LEU 618 3HD2 LEU 618 4.145 -6.248 -7.142 902 H THR 619 H THR 619 2.287 -8.331 -13.028 903 HA THR 619 HA THR 619 1.366 -6.270 -14.787 904 HB THR 619 HB THR 619 3.738 -6.670 -15.497 905 HG1 THR 619 HG1 THR 619 2.481 -6.056 -17.152 906 1HG2 THR 619 1HG2 THR 619 3.958 -9.025 -14.844 907 2HG2 THR 619 2HG2 THR 619 4.335 -8.826 -16.556 908 3HG2 THR 619 3HG2 THR 619 2.774 -9.485 -16.067 909 H SER 620 H SER 620 0.099 -7.239 -16.505 910 HA SER 620 HA SER 620 -0.864 -9.957 -16.167 911 1HB SER 620 1HB SER 620 -3.237 -9.049 -15.980 912 2HB SER 620 2HB SER 620 -2.234 -8.892 -14.533 913 HG SER 620 HG SER 620 -2.004 -6.793 -14.889 914 H LYS 621 H LYS 621 -1.103 -6.839 -17.820 915 HA LYS 621 HA LYS 621 -1.113 -6.300 -20.020 916 1HB LYS 621 1HB LYS 621 -0.316 -9.192 -20.423 917 2HB LYS 621 2HB LYS 621 -0.170 -7.918 -21.625 918 1HG LYS 621 1HG LYS 621 1.459 -6.766 -20.266 919 2HG LYS 621 2HG LYS 621 1.246 -7.938 -18.967 920 1HD LYS 621 1HD LYS 621 2.075 -9.707 -20.480 921 2HD LYS 621 2HD LYS 621 2.346 -8.483 -21.721 922 1HE LYS 621 1HE LYS 621 3.646 -8.524 -18.994 923 2HE LYS 621 2HE LYS 621 4.412 -9.044 -20.493 924 1HZ LYS 621 1HZ LYS 621 4.210 -6.793 -21.337 925 2HZ LYS 621 2HZ LYS 621 5.023 -6.763 -19.861 926 3HZ LYS 621 3HZ LYS 621 3.417 -6.298 -19.945 927 H GLU 622 H GLU 622 -3.470 -7.480 -18.677 928 HA GLU 622 HA GLU 622 -5.567 -8.287 -18.994 929 1HB GLU 622 1HB GLU 622 -5.194 -7.201 -21.792 930 2HB GLU 622 2HB GLU 622 -6.736 -7.591 -21.048 931 1HG GLU 622 1HG GLU 622 -6.158 -5.856 -19.290 932 2HG GLU 622 2HG GLU 622 -4.837 -5.383 -20.354 933 H GLU 623 H GLU 623 -3.290 -10.050 -19.629 934 HA GLU 623 HA GLU 623 -4.040 -11.718 -21.811 935 1HB GLU 623 1HB GLU 623 -1.707 -11.471 -21.002 936 2HB GLU 623 2HB GLU 623 -2.165 -12.230 -19.491 937 1HG GLU 623 1HG GLU 623 -2.754 -14.274 -20.765 938 2HG GLU 623 2HG GLU 623 -2.120 -13.494 -22.215 939 H GLU 624 H GLU 624 -5.177 -13.587 -21.721 940 HA GLU 624 HA GLU 624 -7.075 -13.978 -19.661 941 1HB GLU 624 1HB GLU 624 -7.139 -14.567 -22.208 942 2HB GLU 624 2HB GLU 624 -6.277 -16.014 -21.732 943 1HG GLU 624 1HG GLU 624 -9.005 -15.228 -20.739 944 2HG GLU 624 2HG GLU 624 -8.686 -16.351 -22.050 945 H GLU 625 H GLU 625 -4.265 -15.887 -20.723 946 HA GLU 625 HA GLU 625 -4.278 -17.902 -18.820 947 1HB GLU 625 1HB GLU 625 -2.007 -16.640 -20.308 948 2HB GLU 625 2HB GLU 625 -1.816 -18.068 -19.304 949 1HG GLU 625 1HG GLU 625 -3.304 -19.317 -20.677 950 2HG GLU 625 2HG GLU 625 -3.721 -17.886 -21.617 951 H ARG 626 H ARG 626 -2.999 -14.638 -18.489 952 HA ARG 626 HA ARG 626 -1.515 -14.719 -16.288 953 1HB ARG 626 1HB ARG 626 -1.643 -12.712 -17.347 954 2HB ARG 626 2HB ARG 626 -3.371 -12.797 -17.553 955 1HG ARG 626 1HG ARG 626 -2.121 -12.237 -14.873 956 2HG ARG 626 2HG ARG 626 -2.391 -10.987 -16.087 957 1HD ARG 626 1HD ARG 626 -4.486 -12.707 -14.785 958 2HD ARG 626 2HD ARG 626 -4.229 -10.982 -14.537 959 HE ARG 626 HE ARG 626 -4.945 -12.020 -17.195 960 1HH1 ARG 626 1HH1 ARG 626 -5.688 -9.852 -14.500 961 2HH1 ARG 626 2HH1 ARG 626 -7.104 -9.253 -15.219 962 1HH2 ARG 626 1HH2 ARG 626 -6.902 -11.210 -18.158 963 2HH2 ARG 626 2HH2 ARG 626 -7.804 -10.047 -17.319 964 H ARG 627 H ARG 627 -5.051 -15.137 -16.332 965 HA ARG 627 HA ARG 627 -5.389 -14.583 -13.582 966 1HB ARG 627 1HB ARG 627 -7.111 -16.025 -15.541 967 2HB ARG 627 2HB ARG 627 -7.535 -15.965 -13.836 968 1HG ARG 627 1HG ARG 627 -7.512 -13.520 -13.948 969 2HG ARG 627 2HG ARG 627 -7.147 -13.619 -15.674 970 1HD ARG 627 1HD ARG 627 -9.179 -14.759 -16.101 971 2HD ARG 627 2HD ARG 627 -9.529 -14.899 -14.385 972 HE ARG 627 HE ARG 627 -9.260 -12.215 -14.851 973 1HH1 ARG 627 1HH1 ARG 627 -11.348 -14.732 -16.161 974 2HH1 ARG 627 2HH1 ARG 627 -12.724 -13.748 -16.316 975 1HH2 ARG 627 1HH2 ARG 627 -11.096 -10.821 -15.105 976 2HH2 ARG 627 2HH2 ARG 627 -12.567 -11.441 -15.707 977 H ILE 628 H ILE 628 -4.332 -17.454 -15.167 978 HA ILE 628 HA ILE 628 -4.760 -19.220 -13.002 979 HB ILE 628 HB ILE 628 -2.703 -19.264 -15.225 980 1HG1 ILE 628 1HG1 ILE 628 -5.298 -20.784 -14.955 981 2HG1 ILE 628 2HG1 ILE 628 -5.127 -19.303 -15.889 982 1HG2 ILE 628 1HG2 ILE 628 -1.976 -20.617 -13.356 983 2HG2 ILE 628 2HG2 ILE 628 -2.435 -21.652 -14.715 984 3HG2 ILE 628 3HG2 ILE 628 -3.521 -21.474 -13.330 985 1HD1 ILE 628 1HD1 ILE 628 -3.527 -20.408 -17.334 986 2HD1 ILE 628 2HD1 ILE 628 -5.055 -21.298 -17.294 987 3HD1 ILE 628 3HD1 ILE 628 -3.657 -21.888 -16.383 988 H ALA 629 H ALA 629 -2.199 -17.037 -13.924 989 HA ALA 629 HA ALA 629 -0.438 -17.791 -11.828 990 1HB ALA 629 1HB ALA 629 -0.446 -15.281 -13.513 991 2HB ALA 629 2HB ALA 629 0.413 -16.774 -13.893 992 3HB ALA 629 3HB ALA 629 0.878 -15.821 -12.483 993 H GLU 630 H GLU 630 -2.971 -15.411 -12.226 994 HA GLU 630 HA GLU 630 -2.488 -13.797 -9.970 995 1HB GLU 630 1HB GLU 630 -5.130 -14.466 -11.267 996 2HB GLU 630 2HB GLU 630 -4.852 -13.142 -10.155 997 1HG GLU 630 1HG GLU 630 -3.452 -13.406 -12.787 998 2HG GLU 630 2HG GLU 630 -4.985 -12.566 -12.582 999 H MET 631 H MET 631 -3.965 -16.950 -10.292 1000 HA MET 631 HA MET 631 -4.965 -16.781 -7.553 1001 1HB MET 631 1HB MET 631 -6.090 -18.909 -7.888 1002 2HB MET 631 2HB MET 631 -6.488 -17.814 -9.197 1003 1HG MET 631 1HG MET 631 -4.953 -18.975 -10.665 1004 2HG MET 631 2HG MET 631 -4.465 -20.037 -9.345 1005 1HE MET 631 1HE MET 631 -6.535 -22.415 -11.694 1006 2HE MET 631 2HE MET 631 -4.969 -22.116 -10.932 1007 3HE MET 631 3HE MET 631 -5.538 -21.065 -12.225 1008 H GLY 632 H GLY 632 -2.213 -17.580 -9.068 1009 1HA GLY 632 1HA GLY 632 -1.436 -19.586 -7.081 1010 2HA GLY 632 2HA GLY 632 -0.507 -19.150 -8.519 1011 H ARG 633 H ARG 633 -0.569 -16.432 -8.331 1012 HA ARG 633 HA ARG 633 1.244 -15.909 -6.100 1013 1HB ARG 633 1HB ARG 633 0.633 -14.323 -8.585 1014 2HB ARG 633 2HB ARG 633 1.878 -13.964 -7.406 1015 1HG ARG 633 1HG ARG 633 3.168 -15.807 -8.077 1016 2HG ARG 633 2HG ARG 633 1.835 -16.483 -9.020 1017 1HD ARG 633 1HD ARG 633 3.308 -15.452 -10.566 1018 2HD ARG 633 2HD ARG 633 1.860 -14.457 -10.389 1019 HE ARG 633 HE ARG 633 3.876 -13.498 -8.656 1020 1HH1 ARG 633 1HH1 ARG 633 2.923 -13.505 -12.042 1021 2HH1 ARG 633 2HH1 ARG 633 3.994 -12.280 -12.509 1022 1HH2 ARG 633 1HH2 ARG 633 5.309 -11.656 -9.301 1023 2HH2 ARG 633 2HH2 ARG 633 5.347 -11.207 -10.934 1024 HA PRO 634 HA PRO 634 -2.242 -13.353 -4.708 1025 1HB PRO 634 1HB PRO 634 -0.815 -12.144 -2.688 1026 2HB PRO 634 2HB PRO 634 -1.748 -13.614 -2.474 1027 1HG PRO 634 1HG PRO 634 1.181 -13.273 -2.712 1028 2HG PRO 634 2HG PRO 634 0.262 -14.558 -1.919 1029 1HD PRO 634 1HD PRO 634 1.555 -14.775 -4.351 1030 2HD PRO 634 2HD PRO 634 0.248 -15.837 -3.799 1031 H ILE 635 H ILE 635 -2.652 -11.164 -5.179 1032 HA ILE 635 HA ILE 635 -0.328 -9.848 -6.248 1033 HB ILE 635 HB ILE 635 -1.889 -8.910 -8.058 1034 1HG1 ILE 635 1HG1 ILE 635 -3.577 -10.657 -8.866 1035 2HG1 ILE 635 2HG1 ILE 635 -3.422 -11.411 -7.290 1036 1HG2 ILE 635 1HG2 ILE 635 -0.880 -11.736 -8.161 1037 2HG2 ILE 635 2HG2 ILE 635 0.016 -10.269 -8.558 1038 3HG2 ILE 635 3HG2 ILE 635 -1.335 -10.779 -9.569 1039 1HD1 ILE 635 1HD1 ILE 635 -5.418 -10.038 -7.446 1040 2HD1 ILE 635 2HD1 ILE 635 -4.427 -8.626 -7.824 1041 3HD1 ILE 635 3HD1 ILE 635 -4.301 -9.394 -6.242 1042 H LEU 636 H LEU 636 -1.028 -7.567 -7.005 1043 HA LEU 636 HA LEU 636 -1.668 -6.286 -4.526 1044 1HB LEU 636 1HB LEU 636 -0.813 -4.258 -5.497 1045 2HB LEU 636 2HB LEU 636 0.284 -5.540 -5.909 1046 HG LEU 636 HG LEU 636 0.280 -4.269 -7.797 1047 1HD1 LEU 636 1HD1 LEU 636 -0.934 -5.330 -9.604 1048 2HD1 LEU 636 2HD1 LEU 636 -1.900 -6.185 -8.393 1049 3HD1 LEU 636 3HD1 LEU 636 -0.168 -6.489 -8.503 1050 1HD2 LEU 636 1HD2 LEU 636 -1.380 -2.657 -7.156 1051 2HD2 LEU 636 2HD2 LEU 636 -2.672 -3.797 -7.533 1052 3HD2 LEU 636 3HD2 LEU 636 -1.644 -3.169 -8.823 1053 H GLY 637 H GLY 637 -3.270 -4.674 -4.368 1054 1HA GLY 637 1HA GLY 637 -5.695 -5.610 -5.603 1055 2HA GLY 637 2HA GLY 637 -5.597 -4.390 -4.352 1056 H GLU 638 H GLU 638 -6.690 -2.723 -5.135 1057 HA GLU 638 HA GLU 638 -6.593 -2.158 -7.953 1058 1HB GLU 638 1HB GLU 638 -8.675 -2.001 -6.595 1059 2HB GLU 638 2HB GLU 638 -7.982 -0.605 -5.775 1060 1HG GLU 638 1HG GLU 638 -9.513 0.090 -7.533 1061 2HG GLU 638 2HG GLU 638 -7.861 0.581 -7.912 1062 H HIS 639 H HIS 639 -5.901 -0.305 -4.984 1063 HA HIS 639 HA HIS 639 -3.919 1.098 -6.559 1064 1HB HIS 639 1HB HIS 639 -4.461 3.222 -5.291 1065 2HB HIS 639 2HB HIS 639 -5.668 2.708 -6.452 1066 HD1 HIS 639 HD1 HIS 639 -5.201 3.441 -2.834 1067 HD2 HIS 639 HD2 HIS 639 -8.069 1.747 -5.299 1068 HE1 HIS 639 HE1 HIS 639 -7.345 3.417 -1.497 1069 H THR 640 H THR 640 -2.194 0.041 -5.810 1070 HA THR 640 HA THR 640 -1.764 0.149 -2.959 1071 HB THR 640 HB THR 640 0.326 -1.173 -3.614 1072 HG1 THR 640 HG1 THR 640 0.353 -0.611 -5.804 1073 1HG2 THR 640 1HG2 THR 640 -2.333 -2.385 -4.388 1074 2HG2 THR 640 2HG2 THR 640 -1.774 -2.154 -2.737 1075 3HG2 THR 640 3HG2 THR 640 -0.900 -3.248 -3.802 1076 H LYS 641 H LYS 641 -1.438 2.291 -2.669 1077 HA LYS 641 HA LYS 641 1.068 3.434 -3.262 1078 1HB LYS 641 1HB LYS 641 -0.241 3.570 -5.479 1079 2HB LYS 641 2HB LYS 641 -1.357 4.621 -4.644 1080 1HG LYS 641 1HG LYS 641 1.573 5.263 -4.940 1081 2HG LYS 641 2HG LYS 641 0.372 5.720 -6.145 1082 1HD LYS 641 1HD LYS 641 -0.811 6.966 -4.306 1083 2HD LYS 641 2HD LYS 641 0.581 6.599 -3.277 1084 1HE LYS 641 1HE LYS 641 0.824 8.841 -4.257 1085 2HE LYS 641 2HE LYS 641 2.055 7.749 -4.873 1086 1HZ LYS 641 1HZ LYS 641 0.825 7.523 -6.930 1087 2HZ LYS 641 2HZ LYS 641 1.057 9.139 -6.612 1088 3HZ LYS 641 3HZ LYS 641 -0.448 8.443 -6.333 1089 H LEU 642 H LEU 642 1.305 4.869 -1.671 1090 HA LEU 642 HA LEU 642 -1.060 6.037 -0.436 1091 1HB LEU 642 1HB LEU 642 -0.297 4.187 0.969 1092 2HB LEU 642 2HB LEU 642 1.326 4.855 0.924 1093 HG LEU 642 HG LEU 642 0.408 6.896 2.051 1094 1HD1 LEU 642 1HD1 LEU 642 -1.638 6.621 3.355 1095 2HD1 LEU 642 2HD1 LEU 642 -1.974 5.126 2.482 1096 3HD1 LEU 642 3HD1 LEU 642 -1.925 6.670 1.617 1097 1HD2 LEU 642 1HD2 LEU 642 0.270 4.302 3.554 1098 2HD2 LEU 642 2HD2 LEU 642 0.454 5.937 4.223 1099 3HD2 LEU 642 3HD2 LEU 642 1.731 5.247 3.229 1100 H GLU 643 H GLU 643 -0.785 8.040 -1.045 1101 HA GLU 643 HA GLU 643 1.836 9.244 -1.183 1102 1HB GLU 643 1HB GLU 643 -0.193 9.598 -2.792 1103 2HB GLU 643 2HB GLU 643 -0.816 10.582 -1.491 1104 1HG GLU 643 1HG GLU 643 1.039 12.080 -1.618 1105 2HG GLU 643 2HG GLU 643 1.818 11.057 -2.825 1106 H VAL 644 H VAL 644 2.611 9.619 0.855 1107 HA VAL 644 HA VAL 644 0.765 10.559 2.864 1108 HB VAL 644 HB VAL 644 3.726 10.017 3.061 1109 1HG1 VAL 644 1HG1 VAL 644 1.608 10.262 5.183 1110 2HG1 VAL 644 2HG1 VAL 644 2.833 11.460 4.786 1111 3HG1 VAL 644 3HG1 VAL 644 3.313 9.909 5.463 1112 1HG2 VAL 644 1HG2 VAL 644 2.511 8.008 2.355 1113 2HG2 VAL 644 2HG2 VAL 644 1.460 8.150 3.768 1114 3HG2 VAL 644 3HG2 VAL 644 3.176 7.827 3.970 1115 H ILE 645 H ILE 645 0.389 12.666 2.618 1116 HA ILE 645 HA ILE 645 2.629 14.375 1.924 1117 HB ILE 645 HB ILE 645 -0.304 15.114 2.292 1118 1HG1 ILE 645 1HG1 ILE 645 -0.072 15.695 -0.238 1119 2HG1 ILE 645 2HG1 ILE 645 1.347 14.672 -0.188 1120 1HG2 ILE 645 1HG2 ILE 645 1.089 16.971 2.909 1121 2HG2 ILE 645 2HG2 ILE 645 0.282 17.304 1.377 1122 3HG2 ILE 645 3HG2 ILE 645 1.989 16.843 1.394 1123 1HD1 ILE 645 1HD1 ILE 645 -0.594 13.445 -1.001 1124 2HD1 ILE 645 2HD1 ILE 645 -1.451 13.826 0.479 1125 3HD1 ILE 645 3HD1 ILE 645 -0.034 12.789 0.535 1126 H ILE 646 H ILE 646 3.643 15.488 3.426 1127 HA ILE 646 HA ILE 646 2.662 15.136 6.136 1128 HB ILE 646 HB ILE 646 5.464 15.988 5.257 1129 1HG1 ILE 646 1HG1 ILE 646 6.136 13.674 6.115 1130 2HG1 ILE 646 2HG1 ILE 646 4.431 13.277 6.097 1131 1HG2 ILE 646 1HG2 ILE 646 4.888 16.755 7.533 1132 2HG2 ILE 646 2HG2 ILE 646 6.114 15.483 7.567 1133 3HG2 ILE 646 3HG2 ILE 646 4.450 15.091 7.949 1134 1HD1 ILE 646 1HD1 ILE 646 6.070 14.063 3.705 1135 2HD1 ILE 646 2HD1 ILE 646 4.361 13.629 3.698 1136 3HD1 ILE 646 3HD1 ILE 646 5.574 12.429 4.142 1137 H GLU 647 H GLU 647 1.884 16.785 7.117 1138 HA GLU 647 HA GLU 647 2.297 19.344 5.855 1139 1HB GLU 647 1HB GLU 647 0.053 19.924 6.920 1140 2HB GLU 647 2HB GLU 647 0.036 18.840 5.542 1141 1HG GLU 647 1HG GLU 647 -1.437 17.784 6.916 1142 2HG GLU 647 2HG GLU 647 0.055 16.995 7.396 1143 H GLU 648 H GLU 648 2.400 21.186 7.248 1144 HA GLU 648 HA GLU 648 3.971 20.330 9.477 1145 1HB GLU 648 1HB GLU 648 3.700 23.156 8.427 1146 2HB GLU 648 2HB GLU 648 4.873 22.609 9.632 1147 1HG GLU 648 1HG GLU 648 5.647 20.945 7.853 1148 2HG GLU 648 2HG GLU 648 4.714 21.903 6.720 1149 H SER 649 H SER 649 2.429 19.479 10.461 1150 HA SER 649 HA SER 649 0.646 19.107 11.749 1151 1HB SER 649 1HB SER 649 2.216 21.024 13.434 1152 2HB SER 649 2HB SER 649 1.105 19.779 14.016 1153 HG SER 649 HG SER 649 2.411 18.227 13.305 1154 H TYR 650 H TYR 650 -1.001 20.021 10.494 1155 HA TYR 650 HA TYR 650 -2.230 22.341 11.762 1156 1HB TYR 650 1HB TYR 650 -1.886 22.899 9.453 1157 2HB TYR 650 2HB TYR 650 -2.379 21.300 8.918 1158 HD1 TYR 650 HD1 TYR 650 -3.600 24.574 10.127 1159 HD2 TYR 650 HD2 TYR 650 -4.699 20.754 8.628 1160 HE1 TYR 650 HE1 TYR 650 -5.906 25.364 9.755 1161 HE2 TYR 650 HE2 TYR 650 -6.957 21.487 8.269 1162 HH TYR 650 HH TYR 650 -8.448 23.214 9.066 1163 H GLU 651 H GLU 651 -3.112 19.366 9.982 1164 HA GLU 651 HA GLU 651 -4.642 18.145 11.942 1165 1HB GLU 651 1HB GLU 651 -6.026 20.255 11.715 1166 2HB GLU 651 2HB GLU 651 -6.371 19.791 10.063 1167 1HG GLU 651 1HG GLU 651 -7.521 17.830 10.826 1168 2HG GLU 651 2HG GLU 651 -7.116 18.205 12.503 1169 H PHE 652 H PHE 652 -6.168 16.532 10.906 1170 HA PHE 652 HA PHE 652 -4.788 15.219 8.685 1171 1HB PHE 652 1HB PHE 652 -5.500 14.027 10.814 1172 2HB PHE 652 2HB PHE 652 -7.163 14.240 10.273 1173 HD1 PHE 652 HD1 PHE 652 -8.037 12.924 8.432 1174 HD2 PHE 652 HD2 PHE 652 -4.011 12.531 9.713 1175 HE1 PHE 652 HE1 PHE 652 -7.832 10.844 7.144 1176 HE2 PHE 652 HE2 PHE 652 -3.788 10.472 8.437 1177 HZ PHE 652 HZ PHE 652 -5.708 9.604 7.140 1178 H LYS 653 H LYS 653 -5.526 15.250 6.688 1179 HA LYS 653 HA LYS 653 -8.257 16.160 6.225 1180 1HB LYS 653 1HB LYS 653 -5.767 16.956 4.798 1181 2HB LYS 653 2HB LYS 653 -7.386 17.242 4.160 1182 1HG LYS 653 1HG LYS 653 -7.968 18.594 6.034 1183 2HG LYS 653 2HG LYS 653 -6.469 18.177 6.862 1184 1HD LYS 653 1HD LYS 653 -6.297 20.347 5.938 1185 2HD LYS 653 2HD LYS 653 -5.232 19.193 5.095 1186 1HE LYS 653 1HE LYS 653 -6.825 19.051 3.247 1187 2HE LYS 653 2HE LYS 653 -7.915 20.157 4.085 1188 1HZ LYS 653 1HZ LYS 653 -6.649 21.281 2.383 1189 2HZ LYS 653 2HZ LYS 653 -5.210 20.792 3.061 1190 3HZ LYS 653 3HZ LYS 653 -6.196 21.877 3.897 1191 H SER 654 H SER 654 -9.345 14.422 5.291 1192 HA SER 654 HA SER 654 -7.879 12.656 3.517 1193 1HB SER 654 1HB SER 654 -10.734 12.480 4.523 1194 2HB SER 654 2HB SER 654 -9.862 11.229 3.641 1195 HG SER 654 HG SER 654 -8.664 10.811 5.330 1196 H THR 655 H THR 655 -7.626 13.786 1.615 1197 HA THR 655 HA THR 655 -10.043 14.189 0.071 1198 HB THR 655 HB THR 655 -7.932 16.363 0.344 1199 HG1 THR 655 HG1 THR 655 -10.159 15.782 1.757 1200 1HG2 THR 655 1HG2 THR 655 -10.565 16.322 -1.164 1201 2HG2 THR 655 2HG2 THR 655 -8.964 16.259 -1.899 1202 3HG2 THR 655 3HG2 THR 655 -9.479 17.706 -1.028 1203 H VAL 656 H VAL 656 -9.669 12.793 -1.528 1204 HA VAL 656 HA VAL 656 -6.970 12.633 -2.658 1205 HB VAL 656 HB VAL 656 -9.259 10.659 -2.894 1206 1HG1 VAL 656 1HG1 VAL 656 -7.589 9.140 -3.833 1207 2HG1 VAL 656 2HG1 VAL 656 -6.372 10.411 -3.726 1208 3HG1 VAL 656 3HG1 VAL 656 -7.748 10.601 -4.809 1209 1HG2 VAL 656 1HG2 VAL 656 -7.998 9.236 -1.380 1210 2HG2 VAL 656 2HG2 VAL 656 -8.358 10.781 -0.601 1211 3HG2 VAL 656 3HG2 VAL 656 -6.746 10.466 -1.249 1212 H ASP 657 H ASP 657 -6.723 13.658 -4.519 1213 HA ASP 657 HA ASP 657 -9.051 14.064 -6.272 1214 1HB ASP 657 1HB ASP 657 -7.746 15.827 -7.381 1215 2HB ASP 657 2HB ASP 657 -7.845 16.141 -5.656 Start of MODEL 11 1 1H HIS 501 1H HIS 501 -5.750 -18.857 -6.805 2 HA HIS 501 HA HIS 501 -7.773 -17.904 -5.173 3 1HB HIS 501 1HB HIS 501 -7.506 -20.271 -4.234 4 2HB HIS 501 2HB HIS 501 -5.873 -19.811 -3.782 5 HD1 HIS 501 HD1 HIS 501 -8.930 -20.288 -2.189 6 HD2 HIS 501 HD2 HIS 501 -6.221 -17.127 -2.143 7 HE1 HIS 501 HE1 HIS 501 -9.373 -19.006 -0.066 8 H ALA 502 H ALA 502 -7.010 -15.928 -4.924 9 HA ALA 502 HA ALA 502 -4.265 -15.535 -4.089 10 1HB ALA 502 1HB ALA 502 -4.090 -13.585 -5.584 11 2HB ALA 502 2HB ALA 502 -5.627 -14.031 -6.340 12 3HB ALA 502 3HB ALA 502 -4.222 -15.096 -6.476 13 H GLY 503 H GLY 503 -4.557 -12.656 -3.974 14 1HA GLY 503 1HA GLY 503 -6.777 -12.617 -2.117 15 2HA GLY 503 2HA GLY 503 -5.187 -12.064 -1.617 16 H ILE 504 H ILE 504 -7.148 -10.419 -1.294 17 HA ILE 504 HA ILE 504 -6.666 -8.351 -3.315 18 HB ILE 504 HB ILE 504 -9.062 -8.510 -1.425 19 1HG1 ILE 504 1HG1 ILE 504 -10.407 -8.545 -3.632 20 2HG1 ILE 504 2HG1 ILE 504 -8.897 -8.987 -4.409 21 1HG2 ILE 504 1HG2 ILE 504 -8.435 -6.462 -3.542 22 2HG2 ILE 504 2HG2 ILE 504 -8.347 -6.230 -1.802 23 3HG2 ILE 504 3HG2 ILE 504 -9.913 -6.517 -2.572 24 1HD1 ILE 504 1HD1 ILE 504 -8.804 -11.014 -3.038 25 2HD1 ILE 504 2HD1 ILE 504 -10.287 -10.934 -3.991 26 3HD1 ILE 504 3HD1 ILE 504 -10.324 -10.556 -2.269 27 H PHE 505 H PHE 505 -4.896 -7.481 -2.413 28 HA PHE 505 HA PHE 505 -5.005 -6.594 0.403 29 1HB PHE 505 1HB PHE 505 -2.637 -6.711 -1.486 30 2HB PHE 505 2HB PHE 505 -2.568 -6.463 0.257 31 HD1 PHE 505 HD1 PHE 505 -3.018 -8.381 1.773 32 HD2 PHE 505 HD2 PHE 505 -2.776 -8.873 -2.441 33 HE1 PHE 505 HE1 PHE 505 -2.736 -10.820 2.066 34 HE2 PHE 505 HE2 PHE 505 -2.499 -11.292 -2.156 35 HZ PHE 505 HZ PHE 505 -2.477 -12.270 0.103 36 H THR 506 H THR 506 -5.566 -4.380 0.484 37 HA THR 506 HA THR 506 -4.612 -2.625 -1.638 38 HB THR 506 HB THR 506 -6.764 -3.597 -2.448 39 HG1 THR 506 HG1 THR 506 -7.293 -0.897 -1.824 40 1HG2 THR 506 1HG2 THR 506 -7.891 -3.972 -0.311 41 2HG2 THR 506 2HG2 THR 506 -8.894 -2.988 -1.376 42 3HG2 THR 506 3HG2 THR 506 -8.008 -2.229 -0.055 43 H PHE 507 H PHE 507 -5.079 -0.311 -1.048 44 HA PHE 507 HA PHE 507 -5.174 0.057 1.854 45 1HB PHE 507 1HB PHE 507 -4.498 1.980 -0.395 46 2HB PHE 507 2HB PHE 507 -4.607 2.447 1.293 47 HD1 PHE 507 HD1 PHE 507 -3.090 0.893 2.883 48 HD2 PHE 507 HD2 PHE 507 -2.419 1.637 -1.245 49 HE1 PHE 507 HE1 PHE 507 -0.699 0.406 3.191 50 HE2 PHE 507 HE2 PHE 507 -0.030 1.131 -0.953 51 HZ PHE 507 HZ PHE 507 0.831 0.518 1.271 52 H GLU 508 H GLU 508 -6.554 1.800 2.654 53 HA GLU 508 HA GLU 508 -9.162 1.549 1.400 54 1HB GLU 508 1HB GLU 508 -8.604 1.270 3.935 55 2HB GLU 508 2HB GLU 508 -8.495 3.017 3.937 56 1HG GLU 508 1HG GLU 508 -10.830 3.104 3.092 57 2HG GLU 508 2HG GLU 508 -10.839 1.334 3.269 58 H GLU 509 H GLU 509 -6.645 3.800 2.193 59 HA GLU 509 HA GLU 509 -7.966 5.869 0.643 60 1HB GLU 509 1HB GLU 509 -6.866 7.518 2.077 61 2HB GLU 509 2HB GLU 509 -7.913 6.469 3.011 62 1HG GLU 509 1HG GLU 509 -4.928 6.091 2.843 63 2HG GLU 509 2HG GLU 509 -5.706 7.079 4.071 64 HA PRO 510 HA PRO 510 -4.052 5.585 -1.521 65 1HB PRO 510 1HB PRO 510 -4.554 7.349 -3.470 66 2HB PRO 510 2HB PRO 510 -5.337 5.763 -3.430 67 1HG PRO 510 1HG PRO 510 -6.437 8.432 -2.677 68 2HG PRO 510 2HG PRO 510 -7.234 7.077 -3.493 69 1HD PRO 510 1HD PRO 510 -7.461 7.679 -0.790 70 2HD PRO 510 2HD PRO 510 -7.826 6.109 -1.524 71 H VAL 511 H VAL 511 -5.264 8.069 0.294 72 HA VAL 511 HA VAL 511 -2.755 9.558 0.313 73 HB VAL 511 HB VAL 511 -5.480 10.873 -0.020 74 1HG1 VAL 511 1HG1 VAL 511 -4.314 13.005 0.016 75 2HG1 VAL 511 2HG1 VAL 511 -2.817 12.149 0.403 76 3HG1 VAL 511 3HG1 VAL 511 -4.164 12.123 1.540 77 1HG2 VAL 511 1HG2 VAL 511 -3.080 11.042 -1.824 78 2HG2 VAL 511 2HG2 VAL 511 -4.633 11.835 -2.068 79 3HG2 VAL 511 3HG2 VAL 511 -4.520 10.072 -2.151 80 H THR 512 H THR 512 -2.227 10.084 2.357 81 HA THR 512 HA THR 512 -4.342 10.226 4.322 82 HB THR 512 HB THR 512 -3.248 7.944 4.528 83 HG1 THR 512 HG1 THR 512 -4.020 8.522 6.433 84 1HG2 THR 512 1HG2 THR 512 -0.782 9.532 5.253 85 2HG2 THR 512 2HG2 THR 512 -0.981 8.536 3.811 86 3HG2 THR 512 3HG2 THR 512 -0.954 7.783 5.409 87 H HIS 513 H HIS 513 -4.132 11.995 5.573 88 HA HIS 513 HA HIS 513 -1.727 13.602 5.183 89 1HB HIS 513 1HB HIS 513 -4.504 14.341 6.140 90 2HB HIS 513 2HB HIS 513 -3.135 15.434 6.248 91 HD1 HIS 513 HD1 HIS 513 -3.006 17.013 4.358 92 HD2 HIS 513 HD2 HIS 513 -4.898 13.472 3.298 93 HE1 HIS 513 HE1 HIS 513 -3.676 17.268 1.925 94 H VAL 514 H VAL 514 -0.330 13.705 6.731 95 HA VAL 514 HA VAL 514 -1.207 12.777 9.363 96 HB VAL 514 HB VAL 514 1.037 11.902 9.792 97 1HG1 VAL 514 1HG1 VAL 514 -0.187 10.857 7.255 98 2HG1 VAL 514 2HG1 VAL 514 -0.560 10.348 8.903 99 3HG1 VAL 514 3HG1 VAL 514 1.025 10.005 8.203 100 1HG2 VAL 514 1HG2 VAL 514 2.334 13.405 8.388 101 2HG2 VAL 514 2HG2 VAL 514 1.658 12.667 6.937 102 3HG2 VAL 514 3HG2 VAL 514 2.710 11.726 7.999 103 H SER 515 H SER 515 -0.077 13.656 11.146 104 HA SER 515 HA SER 515 0.289 16.492 10.825 105 1HB SER 515 1HB SER 515 -1.000 15.438 12.703 106 2HB SER 515 2HB SER 515 0.502 14.730 13.275 107 HG SER 515 HG SER 515 -0.492 17.086 13.747 108 H GLU 516 H GLU 516 2.285 17.454 10.791 109 HA GLU 516 HA GLU 516 4.570 15.842 10.411 110 1HB GLU 516 1HB GLU 516 4.180 18.102 9.354 111 2HB GLU 516 2HB GLU 516 4.546 18.822 10.911 112 1HG GLU 516 1HG GLU 516 6.816 18.010 10.830 113 2HG GLU 516 2HG GLU 516 6.477 17.089 9.370 114 H SER 517 H SER 517 3.124 16.667 13.322 115 HA SER 517 HA SER 517 5.685 16.586 14.716 116 1HB SER 517 1HB SER 517 4.309 17.269 16.693 117 2HB SER 517 2HB SER 517 4.296 18.434 15.368 118 HG SER 517 HG SER 517 2.241 18.134 16.114 119 H ILE 518 H ILE 518 3.756 14.415 13.471 120 HA ILE 518 HA ILE 518 3.126 12.787 15.761 121 HB ILE 518 HB ILE 518 1.817 12.927 13.524 122 1HG1 ILE 518 1HG1 ILE 518 2.467 10.169 14.537 123 2HG1 ILE 518 2HG1 ILE 518 1.427 11.300 15.403 124 1HG2 ILE 518 1HG2 ILE 518 3.688 12.514 12.003 125 2HG2 ILE 518 2HG2 ILE 518 2.455 11.264 11.823 126 3HG2 ILE 518 3HG2 ILE 518 3.934 10.918 12.717 127 1HD1 ILE 518 1HD1 ILE 518 0.008 11.416 13.438 128 2HD1 ILE 518 2HD1 ILE 518 0.086 9.793 14.154 129 3HD1 ILE 518 3HD1 ILE 518 0.993 10.167 12.669 130 H GLY 519 H GLY 519 4.089 10.764 16.216 131 1HA GLY 519 1HA GLY 519 6.879 10.601 15.433 132 2HA GLY 519 2HA GLY 519 6.059 9.649 16.676 133 H ILE 520 H ILE 520 4.172 8.335 15.667 134 HA ILE 520 HA ILE 520 5.275 6.897 13.365 135 HB ILE 520 HB ILE 520 4.042 5.775 15.890 136 1HG1 ILE 520 1HG1 ILE 520 6.452 6.192 15.972 137 2HG1 ILE 520 2HG1 ILE 520 6.108 4.465 16.033 138 1HG2 ILE 520 1HG2 ILE 520 4.588 4.250 13.345 139 2HG2 ILE 520 2HG2 ILE 520 3.007 4.598 14.035 140 3HG2 ILE 520 3HG2 ILE 520 4.128 3.534 14.892 141 1HD1 ILE 520 1HD1 ILE 520 6.617 4.350 13.601 142 2HD1 ILE 520 2HD1 ILE 520 7.975 4.821 14.611 143 3HD1 ILE 520 3HD1 ILE 520 7.117 6.044 13.676 144 H MET 521 H MET 521 3.987 6.747 11.738 145 HA MET 521 HA MET 521 1.094 6.939 12.219 146 1HB MET 521 1HB MET 521 0.790 7.554 9.890 147 2HB MET 521 2HB MET 521 1.982 8.630 10.600 148 1HG MET 521 1HG MET 521 3.761 7.497 9.491 149 2HG MET 521 2HG MET 521 2.675 6.222 8.938 150 1HE MET 521 1HE MET 521 3.464 8.041 5.598 151 2HE MET 521 2HE MET 521 3.459 6.493 6.443 152 3HE MET 521 3HE MET 521 4.600 7.766 6.916 153 H GLU 522 H GLU 522 -0.208 5.337 11.508 154 HA GLU 522 HA GLU 522 1.187 2.919 10.627 155 1HB GLU 522 1HB GLU 522 -1.097 3.216 12.540 156 2HB GLU 522 2HB GLU 522 -0.599 1.679 11.855 157 1HG GLU 522 1HG GLU 522 1.529 1.828 12.889 158 2HG GLU 522 2HG GLU 522 1.203 3.453 13.460 159 H VAL 523 H VAL 523 0.662 2.540 8.709 160 HA VAL 523 HA VAL 523 -1.909 3.407 7.650 161 HB VAL 523 HB VAL 523 0.405 2.126 6.194 162 1HG1 VAL 523 1HG1 VAL 523 -1.761 1.880 5.066 163 2HG1 VAL 523 2HG1 VAL 523 -0.669 2.920 4.167 164 3HG1 VAL 523 3HG1 VAL 523 -1.984 3.630 5.110 165 1HG2 VAL 523 1HG2 VAL 523 1.001 4.289 7.223 166 2HG2 VAL 523 2HG2 VAL 523 -0.347 5.038 6.340 167 3HG2 VAL 523 3HG2 VAL 523 1.001 4.330 5.462 168 H LYS 524 H LYS 524 -3.524 2.113 7.347 169 HA LYS 524 HA LYS 524 -3.315 -0.674 8.064 170 1HB LYS 524 1HB LYS 524 -5.624 1.159 7.479 171 2HB LYS 524 2HB LYS 524 -5.809 -0.546 7.879 172 1HG LYS 524 1HG LYS 524 -4.322 1.332 9.625 173 2HG LYS 524 2HG LYS 524 -6.088 1.179 9.758 174 1HD LYS 524 1HD LYS 524 -5.805 -1.200 10.171 175 2HD LYS 524 2HD LYS 524 -4.054 -1.042 10.030 176 1HE LYS 524 1HE LYS 524 -4.840 -1.184 12.312 177 2HE LYS 524 2HE LYS 524 -4.010 0.349 12.009 178 1HZ LYS 524 1HZ LYS 524 -6.962 -0.065 12.131 179 2HZ LYS 524 2HZ LYS 524 -6.204 1.420 11.862 180 3HZ LYS 524 3HZ LYS 524 -6.025 0.630 13.325 181 H VAL 525 H VAL 525 -3.728 -2.292 6.780 182 HA VAL 525 HA VAL 525 -4.223 -1.835 3.897 183 HB VAL 525 HB VAL 525 -2.802 -4.219 5.124 184 1HG1 VAL 525 1HG1 VAL 525 -2.043 -4.668 2.834 185 2HG1 VAL 525 2HG1 VAL 525 -2.987 -3.291 2.266 186 3HG1 VAL 525 3HG1 VAL 525 -3.803 -4.684 2.975 187 1HG2 VAL 525 1HG2 VAL 525 -1.534 -1.805 3.831 188 2HG2 VAL 525 2HG2 VAL 525 -0.684 -3.277 4.328 189 3HG2 VAL 525 3HG2 VAL 525 -1.465 -2.250 5.536 190 H LEU 526 H LEU 526 -6.005 -2.909 3.108 191 HA LEU 526 HA LEU 526 -7.750 -4.141 4.998 192 1HB LEU 526 1HB LEU 526 -8.000 -3.885 1.993 193 2HB LEU 526 2HB LEU 526 -9.204 -4.649 2.995 194 HG LEU 526 HG LEU 526 -9.957 -2.444 2.402 195 1HD1 LEU 526 1HD1 LEU 526 -10.314 -1.392 4.527 196 2HD1 LEU 526 2HD1 LEU 526 -9.104 -2.442 5.270 197 3HD1 LEU 526 3HD1 LEU 526 -10.593 -3.135 4.609 198 1HD2 LEU 526 1HD2 LEU 526 -7.784 -1.442 1.929 199 2HD2 LEU 526 2HD2 LEU 526 -7.462 -1.350 3.664 200 3HD2 LEU 526 3HD2 LEU 526 -8.800 -0.439 2.954 201 H ARG 527 H ARG 527 -8.289 -6.155 5.278 202 HA ARG 527 HA ARG 527 -6.448 -8.188 4.454 203 1HB ARG 527 1HB ARG 527 -7.199 -8.240 6.738 204 2HB ARG 527 2HB ARG 527 -8.866 -8.110 6.252 205 1HG ARG 527 1HG ARG 527 -8.467 -10.330 7.116 206 2HG ARG 527 2HG ARG 527 -8.754 -10.447 5.393 207 1HD ARG 527 1HD ARG 527 -6.612 -11.079 4.939 208 2HD ARG 527 2HD ARG 527 -5.956 -10.296 6.379 209 HE ARG 527 HE ARG 527 -6.196 -12.223 7.475 210 1HH1 ARG 527 1HH1 ARG 527 -8.627 -12.441 4.803 211 2HH1 ARG 527 2HH1 ARG 527 -9.158 -13.970 5.309 212 1HH2 ARG 527 1HH2 ARG 527 -7.033 -14.376 8.064 213 2HH2 ARG 527 2HH2 ARG 527 -8.262 -15.061 7.146 214 H THR 528 H THR 528 -6.630 -9.395 2.889 215 HA THR 528 HA THR 528 -8.594 -9.397 0.967 216 HB THR 528 HB THR 528 -6.430 -10.107 0.389 217 HG1 THR 528 HG1 THR 528 -7.175 -12.632 0.104 218 1HG2 THR 528 1HG2 THR 528 -5.645 -10.899 2.562 219 2HG2 THR 528 2HG2 THR 528 -5.359 -12.126 1.322 220 3HG2 THR 528 3HG2 THR 528 -6.726 -12.285 2.430 221 H SER 529 H SER 529 -10.240 -10.754 0.488 222 HA SER 529 HA SER 529 -11.784 -11.990 2.464 223 1HB SER 529 1HB SER 529 -12.611 -11.131 0.262 224 2HB SER 529 2HB SER 529 -11.775 -12.449 -0.539 225 HG SER 529 HG SER 529 -13.690 -12.897 1.474 226 H GLY 530 H GLY 530 -9.317 -13.194 0.274 227 1HA GLY 530 1HA GLY 530 -9.480 -15.805 1.593 228 2HA GLY 530 2HA GLY 530 -9.069 -15.609 -0.112 229 H ALA 531 H ALA 531 -7.887 -15.836 2.990 230 HA ALA 531 HA ALA 531 -5.201 -15.144 2.047 231 1HB ALA 531 1HB ALA 531 -5.943 -13.464 3.736 232 2HB ALA 531 2HB ALA 531 -4.636 -14.466 4.352 233 3HB ALA 531 3HB ALA 531 -6.292 -14.773 4.851 234 H ARG 532 H ARG 532 -4.183 -17.023 1.808 235 HA ARG 532 HA ARG 532 -4.682 -19.080 3.812 236 1HB ARG 532 1HB ARG 532 -4.118 -19.422 0.868 237 2HB ARG 532 2HB ARG 532 -4.089 -20.739 2.030 238 1HG ARG 532 1HG ARG 532 -6.473 -19.029 1.338 239 2HG ARG 532 2HG ARG 532 -6.206 -20.698 0.831 240 1HD ARG 532 1HD ARG 532 -6.139 -21.342 3.226 241 2HD ARG 532 2HD ARG 532 -6.550 -19.691 3.646 242 HE ARG 532 HE ARG 532 -8.465 -20.611 1.861 243 1HH1 ARG 532 1HH1 ARG 532 -7.377 -21.370 5.164 244 2HH1 ARG 532 2HH1 ARG 532 -8.924 -21.785 5.721 245 1HH2 ARG 532 1HH2 ARG 532 -10.585 -21.203 2.644 246 2HH2 ARG 532 2HH2 ARG 532 -10.785 -21.700 4.256 247 H GLY 533 H GLY 533 -3.072 -18.818 5.166 248 1HA GLY 533 1HA GLY 533 -1.004 -19.641 5.788 249 2HA GLY 533 2HA GLY 533 -0.463 -19.556 4.115 250 H ASN 534 H ASN 534 1.391 -18.498 4.743 251 HA ASN 534 HA ASN 534 1.060 -15.775 5.787 252 1HB ASN 534 1HB ASN 534 2.581 -17.154 7.094 253 2HB ASN 534 2HB ASN 534 3.493 -17.569 5.653 254 1HD2 ASN 534 1HD2 ASN 534 2.380 -14.249 6.295 255 2HD2 ASN 534 2HD2 ASN 534 3.960 -13.663 6.606 256 H VAL 535 H VAL 535 1.350 -14.111 4.461 257 HA VAL 535 HA VAL 535 2.537 -14.610 1.836 258 HB VAL 535 HB VAL 535 0.196 -12.798 2.540 259 1HG1 VAL 535 1HG1 VAL 535 1.513 -11.911 0.680 260 2HG1 VAL 535 2HG1 VAL 535 -0.055 -12.514 0.115 261 3HG1 VAL 535 3HG1 VAL 535 1.400 -13.480 -0.125 262 1HG2 VAL 535 1HG2 VAL 535 -0.520 -15.068 2.646 263 2HG2 VAL 535 2HG2 VAL 535 0.352 -15.447 1.177 264 3HG2 VAL 535 3HG2 VAL 535 -1.094 -14.415 1.095 265 H ILE 536 H ILE 536 4.008 -13.133 1.188 266 HA ILE 536 HA ILE 536 4.690 -10.989 3.066 267 HB ILE 536 HB ILE 536 6.337 -12.462 1.007 268 1HG1 ILE 536 1HG1 ILE 536 6.211 -13.430 3.251 269 2HG1 ILE 536 2HG1 ILE 536 7.853 -12.916 2.872 270 1HG2 ILE 536 1HG2 ILE 536 7.002 -9.872 2.301 271 2HG2 ILE 536 2HG2 ILE 536 6.939 -10.209 0.570 272 3HG2 ILE 536 3HG2 ILE 536 8.233 -10.892 1.564 273 1HD1 ILE 536 1HD1 ILE 536 7.468 -10.895 4.250 274 2HD1 ILE 536 2HD1 ILE 536 7.305 -12.395 5.162 275 3HD1 ILE 536 3HD1 ILE 536 5.867 -11.514 4.663 276 H VAL 537 H VAL 537 4.405 -8.965 2.547 277 HA VAL 537 HA VAL 537 3.903 -8.278 -0.272 278 HB VAL 537 HB VAL 537 2.850 -6.794 2.153 279 1HG1 VAL 537 1HG1 VAL 537 3.114 -5.381 0.195 280 2HG1 VAL 537 2HG1 VAL 537 1.407 -5.627 0.551 281 3HG1 VAL 537 3HG1 VAL 537 2.167 -6.510 -0.771 282 1HG2 VAL 537 1HG2 VAL 537 0.621 -7.724 1.584 283 2HG2 VAL 537 2HG2 VAL 537 1.774 -8.965 2.073 284 3HG2 VAL 537 3HG2 VAL 537 1.390 -8.753 0.372 285 HA PRO 538 HA PRO 538 7.675 -5.911 0.715 286 1HB PRO 538 1HB PRO 538 8.272 -5.267 -1.863 287 2HB PRO 538 2HB PRO 538 8.672 -6.839 -1.162 288 1HG PRO 538 1HG PRO 538 6.418 -6.082 -2.966 289 2HG PRO 538 2HG PRO 538 7.392 -7.561 -2.948 290 1HD PRO 538 1HD PRO 538 4.871 -7.363 -1.900 291 2HD PRO 538 2HD PRO 538 6.079 -8.537 -1.342 292 H TYR 539 H TYR 539 7.971 -3.694 0.987 293 HA TYR 539 HA TYR 539 6.336 -1.833 -0.512 294 1HB TYR 539 1HB TYR 539 5.229 -0.858 1.393 295 2HB TYR 539 2HB TYR 539 4.948 -2.598 1.438 296 HD1 TYR 539 HD1 TYR 539 6.132 -4.003 3.083 297 HD2 TYR 539 HD2 TYR 539 6.402 0.235 3.172 298 HE1 TYR 539 HE1 TYR 539 6.962 -4.109 5.374 299 HE2 TYR 539 HE2 TYR 539 7.237 0.145 5.471 300 HH TYR 539 HH TYR 539 8.237 -2.809 6.917 301 H LYS 540 H LYS 540 7.063 0.337 -0.243 302 HA LYS 540 HA LYS 540 9.278 0.842 1.501 303 1HB LYS 540 1HB LYS 540 10.792 1.627 -0.216 304 2HB LYS 540 2HB LYS 540 10.423 -0.070 -0.464 305 1HG LYS 540 1HG LYS 540 8.878 0.518 -2.247 306 2HG LYS 540 2HG LYS 540 9.206 2.231 -1.976 307 1HD LYS 540 1HD LYS 540 11.556 1.844 -2.466 308 2HD LYS 540 2HD LYS 540 11.211 0.146 -2.809 309 1HE LYS 540 1HE LYS 540 9.627 0.886 -4.566 310 2HE LYS 540 2HE LYS 540 10.128 2.548 -4.264 311 1HZ LYS 540 1HZ LYS 540 11.350 1.656 -6.150 312 2HZ LYS 540 2HZ LYS 540 11.842 0.334 -5.255 313 3HZ LYS 540 3HZ LYS 540 12.440 1.844 -4.874 314 H THR 541 H THR 541 9.713 3.037 1.720 315 HA THR 541 HA THR 541 7.501 4.770 1.028 316 HB THR 541 HB THR 541 8.841 6.364 2.478 317 HG1 THR 541 HG1 THR 541 10.777 5.143 2.204 318 1HG2 THR 541 1HG2 THR 541 8.221 5.262 4.607 319 2HG2 THR 541 2HG2 THR 541 7.967 3.758 3.741 320 3HG2 THR 541 3HG2 THR 541 6.928 5.150 3.412 321 H ILE 542 H ILE 542 7.706 5.699 -0.935 322 HA ILE 542 HA ILE 542 10.290 6.254 -2.124 323 HB ILE 542 HB ILE 542 7.507 7.116 -3.020 324 1HG1 ILE 542 1HG1 ILE 542 7.951 5.466 -4.958 325 2HG1 ILE 542 2HG1 ILE 542 9.217 4.803 -3.937 326 1HG2 ILE 542 1HG2 ILE 542 8.514 7.683 -5.187 327 2HG2 ILE 542 2HG2 ILE 542 10.110 7.343 -4.514 328 3HG2 ILE 542 3HG2 ILE 542 9.134 8.659 -3.857 329 1HD1 ILE 542 1HD1 ILE 542 6.307 4.969 -3.242 330 2HD1 ILE 542 2HD1 ILE 542 7.569 4.230 -2.251 331 3HD1 ILE 542 3HD1 ILE 542 7.142 3.523 -3.816 332 H GLU 543 H GLU 543 11.397 7.994 -1.650 333 HA GLU 543 HA GLU 543 10.699 9.693 0.418 334 1HB GLU 543 1HB GLU 543 12.817 10.049 -1.687 335 2HB GLU 543 2HB GLU 543 12.722 10.960 -0.184 336 1HG GLU 543 1HG GLU 543 13.003 8.919 1.103 337 2HG GLU 543 2HG GLU 543 13.026 7.972 -0.382 338 H GLY 544 H GLY 544 10.407 10.260 -3.011 339 1HA GLY 544 1HA GLY 544 9.034 11.727 -4.134 340 2HA GLY 544 2HA GLY 544 8.318 12.157 -2.588 341 H THR 545 H THR 545 8.962 13.930 -1.568 342 HA THR 545 HA THR 545 11.176 15.406 -2.764 343 HB THR 545 HB THR 545 9.168 16.555 -3.448 344 HG1 THR 545 HG1 THR 545 10.959 17.725 -1.778 345 1HG2 THR 545 1HG2 THR 545 7.614 15.723 -1.768 346 2HG2 THR 545 2HG2 THR 545 7.554 17.485 -1.837 347 3HG2 THR 545 3HG2 THR 545 8.419 16.683 -0.527 348 H ALA 546 H ALA 546 10.298 13.766 -0.126 349 HA ALA 546 HA ALA 546 11.654 15.552 1.747 350 1HB ALA 546 1HB ALA 546 10.845 13.960 3.472 351 2HB ALA 546 2HB ALA 546 10.072 13.006 2.201 352 3HB ALA 546 3HB ALA 546 9.528 14.658 2.536 353 H ARG 547 H ARG 547 12.880 13.635 3.409 354 HA ARG 547 HA ARG 547 14.528 12.071 1.585 355 1HB ARG 547 1HB ARG 547 15.465 14.454 2.216 356 2HB ARG 547 2HB ARG 547 15.773 13.725 3.778 357 1HG ARG 547 1HG ARG 547 16.979 12.884 1.129 358 2HG ARG 547 2HG ARG 547 17.790 13.737 2.429 359 1HD ARG 547 1HD ARG 547 17.412 11.795 3.873 360 2HD ARG 547 2HD ARG 547 16.652 10.981 2.527 361 HE ARG 547 HE ARG 547 19.486 11.757 2.617 362 1HH1 ARG 547 1HH1 ARG 547 16.934 9.707 1.169 363 2HH1 ARG 547 2HH1 ARG 547 17.997 8.474 0.745 364 1HH2 ARG 547 1HH2 ARG 547 20.953 9.961 1.953 365 2HH2 ARG 547 2HH2 ARG 547 20.297 8.591 1.201 366 H GLY 548 H GLY 548 14.841 10.095 2.369 367 1HA GLY 548 1HA GLY 548 13.791 9.330 4.937 368 2HA GLY 548 2HA GLY 548 14.597 8.283 3.771 369 H GLY 549 H GLY 549 15.946 7.267 5.264 370 1HA GLY 549 1HA GLY 549 17.890 6.971 6.426 371 2HA GLY 549 2HA GLY 549 18.432 8.497 5.750 372 H GLY 550 H GLY 550 15.532 8.651 7.561 373 1HA GLY 550 1HA GLY 550 15.067 9.364 9.671 374 2HA GLY 550 2HA GLY 550 16.748 9.109 10.105 375 H GLU 551 H GLU 551 16.205 11.029 7.308 376 HA GLU 551 HA GLU 551 17.257 13.363 8.659 377 1HB GLU 551 1HB GLU 551 16.334 12.993 5.808 378 2HB GLU 551 2HB GLU 551 17.171 14.400 6.428 379 1HG GLU 551 1HG GLU 551 18.250 11.616 6.267 380 2HG GLU 551 2HG GLU 551 18.592 12.926 5.139 381 H ASP 552 H ASP 552 14.598 12.977 6.403 382 HA ASP 552 HA ASP 552 13.095 15.049 7.852 383 1HB ASP 552 1HB ASP 552 13.594 15.134 5.303 384 2HB ASP 552 2HB ASP 552 12.389 13.860 5.172 385 H PHE 553 H PHE 553 12.941 11.819 6.529 386 HA PHE 553 HA PHE 553 11.130 11.133 8.645 387 1HB PHE 553 1HB PHE 553 9.536 9.994 7.283 388 2HB PHE 553 2HB PHE 553 9.715 11.602 6.611 389 HD1 PHE 553 HD1 PHE 553 9.864 8.113 6.028 390 HD2 PHE 553 HD2 PHE 553 11.129 11.858 4.515 391 HE1 PHE 553 HE1 PHE 553 10.230 7.084 3.823 392 HE2 PHE 553 HE2 PHE 553 11.508 10.843 2.301 393 HZ PHE 553 HZ PHE 553 11.052 8.437 1.964 394 H GLU 554 H GLU 554 10.991 8.701 8.755 395 HA GLU 554 HA GLU 554 13.643 7.614 8.248 396 1HB GLU 554 1HB GLU 554 12.442 7.752 10.525 397 2HB GLU 554 2HB GLU 554 11.386 6.518 9.905 398 1HG GLU 554 1HG GLU 554 14.362 6.184 10.176 399 2HG GLU 554 2HG GLU 554 13.198 5.813 11.440 400 H ASP 555 H ASP 555 13.732 6.549 6.354 401 HA ASP 555 HA ASP 555 11.320 5.764 5.034 402 1HB ASP 555 1HB ASP 555 12.672 5.204 3.101 403 2HB ASP 555 2HB ASP 555 13.172 6.765 3.720 404 H THR 556 H THR 556 10.411 3.948 5.030 405 HA THR 556 HA THR 556 11.888 1.737 6.169 406 HB THR 556 HB THR 556 10.190 2.394 7.712 407 HG1 THR 556 HG1 THR 556 9.105 0.097 6.437 408 1HG2 THR 556 1HG2 THR 556 8.226 2.205 5.436 409 2HG2 THR 556 2HG2 THR 556 8.667 3.633 6.394 410 3HG2 THR 556 3HG2 THR 556 7.769 2.316 7.140 411 H CYS 557 H CYS 557 12.429 0.336 4.793 412 HA CYS 557 HA CYS 557 10.617 -0.342 2.628 413 1HB CYS 557 1HB CYS 557 12.760 -0.781 1.306 414 2HB CYS 557 2HB CYS 557 12.295 0.897 1.544 415 HG CYS 557 HG CYS 557 14.417 1.668 2.685 416 H GLY 558 H GLY 558 10.009 -2.358 2.802 417 1HA GLY 558 1HA GLY 558 11.786 -4.410 3.441 418 2HA GLY 558 2HA GLY 558 10.820 -3.974 4.848 419 H GLU 559 H GLU 559 9.881 -5.972 4.772 420 HA GLU 559 HA GLU 559 7.822 -6.223 2.727 421 1HB GLU 559 1HB GLU 559 9.770 -8.274 3.705 422 2HB GLU 559 2HB GLU 559 8.315 -8.709 2.812 423 1HG GLU 559 1HG GLU 559 9.064 -7.508 0.902 424 2HG GLU 559 2HG GLU 559 10.461 -6.851 1.770 425 H LEU 560 H LEU 560 5.872 -6.504 3.566 426 HA LEU 560 HA LEU 560 5.541 -6.766 6.415 427 1HB LEU 560 1HB LEU 560 3.588 -6.380 4.164 428 2HB LEU 560 2HB LEU 560 3.082 -6.650 5.814 429 HG LEU 560 HG LEU 560 4.737 -4.305 4.878 430 1HD1 LEU 560 1HD1 LEU 560 2.706 -3.027 5.253 431 2HD1 LEU 560 2HD1 LEU 560 1.816 -4.509 5.592 432 3HD1 LEU 560 3HD1 LEU 560 2.484 -4.223 3.976 433 1HD2 LEU 560 1HD2 LEU 560 3.433 -4.928 7.526 434 2HD2 LEU 560 2HD2 LEU 560 4.142 -3.380 7.088 435 3HD2 LEU 560 3HD2 LEU 560 5.169 -4.811 7.213 436 H GLU 561 H GLU 561 4.840 -8.441 7.457 437 HA GLU 561 HA GLU 561 4.474 -10.954 6.029 438 1HB GLU 561 1HB GLU 561 6.149 -10.788 7.843 439 2HB GLU 561 2HB GLU 561 4.877 -10.333 8.958 440 1HG GLU 561 1HG GLU 561 3.841 -12.538 8.651 441 2HG GLU 561 2HG GLU 561 5.146 -12.936 7.520 442 H PHE 562 H PHE 562 2.363 -11.095 5.400 443 HA PHE 562 HA PHE 562 0.302 -10.453 7.399 444 1HB PHE 562 1HB PHE 562 0.462 -9.218 5.109 445 2HB PHE 562 2HB PHE 562 -0.096 -10.726 4.417 446 HD1 PHE 562 HD1 PHE 562 -1.921 -9.441 3.444 447 HD2 PHE 562 HD2 PHE 562 -1.565 -9.758 7.702 448 HE1 PHE 562 HE1 PHE 562 -4.222 -8.635 3.730 449 HE2 PHE 562 HE2 PHE 562 -3.816 -8.959 7.935 450 HZ PHE 562 HZ PHE 562 -5.155 -8.395 5.987 451 H GLN 563 H GLN 563 -1.431 -12.129 7.582 452 HA GLN 563 HA GLN 563 -0.664 -14.717 6.443 453 1HB GLN 563 1HB GLN 563 -1.034 -14.307 9.420 454 2HB GLN 563 2HB GLN 563 -0.694 -15.813 8.584 455 1HG GLN 563 1HG GLN 563 1.479 -15.009 7.934 456 2HG GLN 563 2HG GLN 563 1.149 -13.448 8.680 457 1HE2 GLN 563 1HE2 GLN 563 1.929 -16.760 9.198 458 2HE2 GLN 563 2HE2 GLN 563 2.326 -16.610 10.863 459 H ASN 564 H ASN 564 -2.306 -16.434 7.310 460 HA ASN 564 HA ASN 564 -4.940 -15.496 6.777 461 1HB ASN 564 1HB ASN 564 -5.663 -17.796 7.121 462 2HB ASN 564 2HB ASN 564 -4.252 -17.754 6.059 463 1HD2 ASN 564 1HD2 ASN 564 -5.616 -18.822 9.042 464 2HD2 ASN 564 2HD2 ASN 564 -4.278 -19.759 9.565 465 H ASP 565 H ASP 565 -3.081 -16.427 9.566 466 HA ASP 565 HA ASP 565 -5.306 -16.199 11.397 467 1HB ASP 565 1HB ASP 565 -2.367 -16.662 11.785 468 2HB ASP 565 2HB ASP 565 -3.470 -16.496 13.154 469 H GLU 566 H GLU 566 -3.798 -14.057 9.715 470 HA GLU 566 HA GLU 566 -3.677 -12.011 11.806 471 1HB GLU 566 1HB GLU 566 -1.446 -12.481 10.946 472 2HB GLU 566 2HB GLU 566 -2.025 -12.329 9.296 473 1HG GLU 566 1HG GLU 566 -0.798 -10.363 9.897 474 2HG GLU 566 2HG GLU 566 -2.503 -9.955 9.720 475 H ILE 567 H ILE 567 -4.679 -10.062 11.256 476 HA ILE 567 HA ILE 567 -5.727 -9.809 8.577 477 HB ILE 567 HB ILE 567 -7.827 -8.862 9.316 478 1HG1 ILE 567 1HG1 ILE 567 -7.547 -9.714 12.130 479 2HG1 ILE 567 2HG1 ILE 567 -6.605 -8.301 11.661 480 1HG2 ILE 567 1HG2 ILE 567 -7.750 -11.221 8.923 481 2HG2 ILE 567 2HG2 ILE 567 -8.924 -10.880 10.217 482 3HG2 ILE 567 3HG2 ILE 567 -7.307 -11.521 10.592 483 1HD1 ILE 567 1HD1 ILE 567 -8.568 -7.231 10.858 484 2HD1 ILE 567 2HD1 ILE 567 -8.763 -7.676 12.564 485 3HD1 ILE 567 3HD1 ILE 567 -9.568 -8.621 11.293 486 H VAL 568 H VAL 568 -6.196 -7.591 8.122 487 HA VAL 568 HA VAL 568 -5.257 -5.657 7.654 488 HB VAL 568 HB VAL 568 -6.729 -5.356 9.820 489 1HG1 VAL 568 1HG1 VAL 568 -4.065 -4.588 10.931 490 2HG1 VAL 568 2HG1 VAL 568 -5.163 -5.836 11.528 491 3HG1 VAL 568 3HG1 VAL 568 -5.613 -4.128 11.630 492 1HG2 VAL 568 1HG2 VAL 568 -6.431 -2.955 9.732 493 2HG2 VAL 568 2HG2 VAL 568 -6.443 -3.669 8.108 494 3HG2 VAL 568 3HG2 VAL 568 -4.921 -3.166 8.842 495 H LYS 569 H LYS 569 -3.388 -4.035 8.169 496 HA LYS 569 HA LYS 569 -1.196 -5.160 9.579 497 1HB LYS 569 1HB LYS 569 -1.132 -6.338 7.296 498 2HB LYS 569 2HB LYS 569 -0.866 -4.759 6.595 499 1HG LYS 569 1HG LYS 569 1.176 -6.147 6.877 500 2HG LYS 569 2HG LYS 569 1.248 -4.553 7.628 501 1HD LYS 569 1HD LYS 569 2.225 -6.316 9.058 502 2HD LYS 569 2HD LYS 569 0.852 -5.521 9.808 503 1HE LYS 569 1HE LYS 569 -0.572 -7.437 9.186 504 2HE LYS 569 2HE LYS 569 0.847 -8.220 8.474 505 1HZ LYS 569 1HZ LYS 569 1.870 -8.376 10.581 506 2HZ LYS 569 2HZ LYS 569 0.293 -8.892 10.914 507 3HZ LYS 569 3HZ LYS 569 0.793 -7.344 11.292 508 H THR 570 H THR 570 0.442 -3.558 9.908 509 HA THR 570 HA THR 570 -0.360 -0.939 8.942 510 HB THR 570 HB THR 570 0.589 -0.038 11.177 511 HG1 THR 570 HG1 THR 570 0.009 -2.747 11.849 512 1HG2 THR 570 1HG2 THR 570 -2.033 -1.530 11.078 513 2HG2 THR 570 2HG2 THR 570 -1.746 0.125 10.531 514 3HG2 THR 570 3HG2 THR 570 -1.609 -0.274 12.244 515 H ILE 571 H ILE 571 1.017 0.041 7.866 516 HA ILE 571 HA ILE 571 3.852 -0.579 8.032 517 HB ILE 571 HB ILE 571 2.424 1.585 6.405 518 1HG1 ILE 571 1HG1 ILE 571 3.159 0.206 4.397 519 2HG1 ILE 571 2HG1 ILE 571 3.543 -1.084 5.523 520 1HG2 ILE 571 1HG2 ILE 571 4.670 2.252 6.943 521 2HG2 ILE 571 2HG2 ILE 571 4.509 1.917 5.221 522 3HG2 ILE 571 3HG2 ILE 571 5.302 0.745 6.279 523 1HD1 ILE 571 1HD1 ILE 571 1.219 -1.210 6.182 524 2HD1 ILE 571 2HD1 ILE 571 1.401 -1.419 4.439 525 3HD1 ILE 571 3HD1 ILE 571 0.820 0.118 5.088 526 H SER 572 H SER 572 4.961 0.345 9.639 527 HA SER 572 HA SER 572 3.823 2.751 10.847 528 1HB SER 572 1HB SER 572 5.806 0.773 11.973 529 2HB SER 572 2HB SER 572 5.064 2.115 12.850 530 HG SER 572 HG SER 572 3.558 0.116 11.559 531 H VAL 573 H VAL 573 4.700 4.514 10.116 532 HA VAL 573 HA VAL 573 7.543 4.475 9.380 533 HB VAL 573 HB VAL 573 5.482 6.445 8.377 534 1HG1 VAL 573 1HG1 VAL 573 7.739 7.320 8.317 535 2HG1 VAL 573 2HG1 VAL 573 7.186 6.999 6.671 536 3HG1 VAL 573 3HG1 VAL 573 8.303 5.888 7.468 537 1HG2 VAL 573 1HG2 VAL 573 6.548 3.980 6.989 538 2HG2 VAL 573 2HG2 VAL 573 5.564 5.226 6.226 539 3HG2 VAL 573 3HG2 VAL 573 4.896 4.255 7.537 540 H LYS 574 H LYS 574 8.848 5.899 10.262 541 HA LYS 574 HA LYS 574 7.841 7.591 12.415 542 1HB LYS 574 1HB LYS 574 9.629 6.137 13.052 543 2HB LYS 574 2HB LYS 574 10.604 6.602 11.679 544 1HG LYS 574 1HG LYS 574 11.524 7.613 13.651 545 2HG LYS 574 2HG LYS 574 10.813 8.874 12.650 546 1HD LYS 574 1HD LYS 574 10.247 9.312 14.938 547 2HD LYS 574 2HD LYS 574 8.793 8.791 14.092 548 1HE LYS 574 1HE LYS 574 8.932 7.743 16.273 549 2HE LYS 574 2HE LYS 574 9.063 6.539 15.003 550 1HZ LYS 574 1HZ LYS 574 10.644 6.185 16.800 551 2HZ LYS 574 2HZ LYS 574 11.360 7.680 16.511 552 3HZ LYS 574 3HZ LYS 574 11.454 6.459 15.357 553 H VAL 575 H VAL 575 7.576 9.661 12.109 554 HA VAL 575 HA VAL 575 8.812 10.987 9.812 555 HB VAL 575 HB VAL 575 6.743 12.036 11.794 556 1HG1 VAL 575 1HG1 VAL 575 8.028 13.842 10.769 557 2HG1 VAL 575 2HG1 VAL 575 6.366 13.841 10.178 558 3HG1 VAL 575 3HG1 VAL 575 7.662 13.205 9.164 559 1HG2 VAL 575 1HG2 VAL 575 6.356 11.003 8.983 560 2HG2 VAL 575 2HG2 VAL 575 5.105 11.737 9.984 561 3HG2 VAL 575 3HG2 VAL 575 5.834 10.205 10.464 562 H ILE 576 H ILE 576 10.435 12.538 10.119 563 HA ILE 576 HA ILE 576 11.529 12.564 12.826 564 HB ILE 576 HB ILE 576 12.902 13.371 10.229 565 1HG1 ILE 576 1HG1 ILE 576 12.212 10.993 10.178 566 2HG1 ILE 576 2HG1 ILE 576 13.956 11.163 10.161 567 1HG2 ILE 576 1HG2 ILE 576 14.993 13.058 11.484 568 2HG2 ILE 576 2HG2 ILE 576 14.061 12.672 12.929 569 3HG2 ILE 576 3HG2 ILE 576 13.971 14.288 12.234 570 1HD1 ILE 576 1HD1 ILE 576 13.235 9.341 11.507 571 2HD1 ILE 576 2HD1 ILE 576 12.218 10.416 12.484 572 3HD1 ILE 576 3HD1 ILE 576 13.983 10.576 12.530 573 H ASP 577 H ASP 577 12.470 14.587 13.540 574 HA ASP 577 HA ASP 577 10.745 16.817 13.322 575 1HB ASP 577 1HB ASP 577 12.072 16.373 15.339 576 2HB ASP 577 2HB ASP 577 13.551 16.624 14.423 577 H ASP 578 H ASP 578 10.545 18.023 11.611 578 HA ASP 578 HA ASP 578 12.150 17.923 9.335 579 1HB ASP 578 1HB ASP 578 9.673 18.876 9.749 580 2HB ASP 578 2HB ASP 578 10.610 20.382 9.777 581 H GLU 579 H GLU 579 13.822 18.951 8.660 582 HA GLU 579 HA GLU 579 15.176 20.653 10.601 583 1HB GLU 579 1HB GLU 579 17.177 19.655 9.872 584 2HB GLU 579 2HB GLU 579 16.003 18.384 10.145 585 1HG GLU 579 1HG GLU 579 16.628 19.494 7.420 586 2HG GLU 579 2HG GLU 579 17.490 18.148 8.138 587 H GLU 580 H GLU 580 14.187 20.679 7.171 588 HA GLU 580 HA GLU 580 16.412 22.526 6.736 589 1HB GLU 580 1HB GLU 580 16.662 21.857 4.422 590 2HB GLU 580 2HB GLU 580 16.697 20.443 5.439 591 1HG GLU 580 1HG GLU 580 14.446 21.332 3.618 592 2HG GLU 580 2HG GLU 580 15.539 19.985 3.357 593 H TYR 581 H TYR 581 13.335 22.085 5.061 594 HA TYR 581 HA TYR 581 12.959 24.933 5.199 595 1HB TYR 581 1HB TYR 581 12.512 25.119 2.773 596 2HB TYR 581 2HB TYR 581 14.184 24.690 3.087 597 HD1 TYR 581 HD1 TYR 581 10.918 23.073 2.310 598 HD2 TYR 581 HD2 TYR 581 15.118 23.018 1.755 599 HE1 TYR 581 HE1 TYR 581 10.647 21.278 0.746 600 HE2 TYR 581 HE2 TYR 581 14.875 21.177 0.146 601 HH TYR 581 HH TYR 581 13.265 19.400 -0.378 602 H GLU 582 H GLU 582 10.751 25.466 4.665 603 HA GLU 582 HA GLU 582 9.161 23.106 5.207 604 1HB GLU 582 1HB GLU 582 9.316 24.843 7.008 605 2HB GLU 582 2HB GLU 582 8.438 25.933 5.942 606 1HG GLU 582 1HG GLU 582 6.938 24.923 7.512 607 2HG GLU 582 2HG GLU 582 6.587 24.329 5.889 608 H LYS 583 H LYS 583 8.255 22.461 3.542 609 HA LYS 583 HA LYS 583 6.761 24.210 1.751 610 1HB LYS 583 1HB LYS 583 8.752 22.070 0.976 611 2HB LYS 583 2HB LYS 583 7.506 22.647 -0.102 612 1HG LYS 583 1HG LYS 583 9.569 24.462 1.088 613 2HG LYS 583 2HG LYS 583 9.850 23.555 -0.402 614 1HD LYS 583 1HD LYS 583 7.650 25.577 0.068 615 2HD LYS 583 2HD LYS 583 9.133 25.859 -0.839 616 1HE LYS 583 1HE LYS 583 6.909 23.931 -1.570 617 2HE LYS 583 2HE LYS 583 7.318 25.436 -2.375 618 1HZ LYS 583 1HZ LYS 583 8.162 23.631 -3.624 619 2HZ LYS 583 2HZ LYS 583 8.922 22.940 -2.321 620 3HZ LYS 583 3HZ LYS 583 9.499 24.403 -2.956 621 H ASN 584 H ASN 584 5.297 22.733 0.519 622 HA ASN 584 HA ASN 584 4.164 20.782 2.290 623 1HB ASN 584 1HB ASN 584 2.716 22.112 0.786 624 2HB ASN 584 2HB ASN 584 3.508 21.391 -0.613 625 1HD2 ASN 584 1HD2 ASN 584 1.300 20.892 2.004 626 2HD2 ASN 584 2HD2 ASN 584 0.580 19.456 1.380 627 H LYS 585 H LYS 585 5.483 19.080 2.624 628 HA LYS 585 HA LYS 585 6.472 17.798 0.236 629 1HB LYS 585 1HB LYS 585 8.258 16.728 1.691 630 2HB LYS 585 2HB LYS 585 8.405 18.453 1.446 631 1HG LYS 585 1HG LYS 585 8.982 18.034 3.674 632 2HG LYS 585 2HG LYS 585 7.351 18.719 3.755 633 1HD LYS 585 1HD LYS 585 6.530 16.345 3.878 634 2HD LYS 585 2HD LYS 585 8.226 15.854 4.039 635 1HE LYS 585 1HE LYS 585 6.732 17.707 5.899 636 2HE LYS 585 2HE LYS 585 7.125 16.022 6.222 637 1HZ LYS 585 1HZ LYS 585 9.496 16.631 6.064 638 2HZ LYS 585 2HZ LYS 585 8.670 17.424 7.311 639 3HZ LYS 585 3HZ LYS 585 9.066 18.276 5.956 640 H THR 586 H THR 586 6.473 15.563 0.027 641 HA THR 586 HA THR 586 4.785 14.029 1.737 642 HB THR 586 HB THR 586 3.049 15.160 0.501 643 HG1 THR 586 HG1 THR 586 2.838 12.908 0.697 644 1HG2 THR 586 1HG2 THR 586 2.885 15.214 -1.892 645 2HG2 THR 586 2HG2 THR 586 4.448 14.398 -2.060 646 3HG2 THR 586 3HG2 THR 586 4.360 16.027 -1.366 647 H PHE 587 H PHE 587 4.806 11.898 1.270 648 HA PHE 587 HA PHE 587 6.654 11.009 -0.727 649 1HB PHE 587 1HB PHE 587 7.448 9.260 1.049 650 2HB PHE 587 2HB PHE 587 8.184 10.846 0.998 651 HD1 PHE 587 HD1 PHE 587 5.527 8.915 2.787 652 HD2 PHE 587 HD2 PHE 587 8.352 12.072 2.904 653 HE1 PHE 587 HE1 PHE 587 5.169 9.169 5.231 654 HE2 PHE 587 HE2 PHE 587 7.995 12.320 5.315 655 HZ PHE 587 HZ PHE 587 6.401 10.857 6.476 656 H PHE 588 H PHE 588 6.459 8.620 -1.038 657 HA PHE 588 HA PHE 588 3.539 8.024 -1.028 658 1HB PHE 588 1HB PHE 588 5.482 7.096 -3.131 659 2HB PHE 588 2HB PHE 588 3.732 7.187 -3.206 660 HD1 PHE 588 HD1 PHE 588 6.759 8.775 -4.029 661 HD2 PHE 588 HD2 PHE 588 2.693 9.555 -3.126 662 HE1 PHE 588 HE1 PHE 588 6.961 10.991 -5.093 663 HE2 PHE 588 HE2 PHE 588 2.873 11.772 -4.191 664 HZ PHE 588 HZ PHE 588 5.012 12.492 -5.172 665 H LEU 589 H LEU 589 2.959 6.082 -0.335 666 HA LEU 589 HA LEU 589 5.074 4.100 0.196 667 1HB LEU 589 1HB LEU 589 3.246 4.918 1.990 668 2HB LEU 589 2HB LEU 589 2.231 3.801 1.096 669 HG LEU 589 HG LEU 589 3.042 2.786 3.126 670 1HD1 LEU 589 1HD1 LEU 589 2.642 1.327 1.241 671 2HD1 LEU 589 2HD1 LEU 589 3.942 0.727 2.271 672 3HD1 LEU 589 3HD1 LEU 589 4.321 1.504 0.733 673 1HD2 LEU 589 1HD2 LEU 589 5.788 3.227 1.999 674 2HD2 LEU 589 2HD2 LEU 589 5.411 2.271 3.429 675 3HD2 LEU 589 3HD2 LEU 589 5.076 4.007 3.410 676 H GLU 590 H GLU 590 5.182 2.538 -1.280 677 HA GLU 590 HA GLU 590 2.740 1.790 -2.726 678 1HB GLU 590 1HB GLU 590 4.339 3.227 -4.113 679 2HB GLU 590 2HB GLU 590 5.510 1.932 -3.942 680 1HG GLU 590 1HG GLU 590 3.933 0.401 -5.069 681 2HG GLU 590 2HG GLU 590 2.834 1.758 -5.307 682 H ILE 591 H ILE 591 2.393 -0.300 -2.688 683 HA ILE 591 HA ILE 591 4.479 -1.998 -1.552 684 HB ILE 591 HB ILE 591 2.694 -3.571 -0.948 685 1HG1 ILE 591 1HG1 ILE 591 0.789 -1.475 -2.017 686 2HG1 ILE 591 2HG1 ILE 591 1.072 -3.065 -2.720 687 1HG2 ILE 591 1HG2 ILE 591 1.630 -2.261 0.832 688 2HG2 ILE 591 2HG2 ILE 591 2.135 -0.776 0.026 689 3HG2 ILE 591 3HG2 ILE 591 3.344 -1.874 0.680 690 1HD1 ILE 591 1HD1 ILE 591 -0.101 -2.494 -0.023 691 2HD1 ILE 591 2HD1 ILE 591 0.159 -4.107 -0.699 692 3HD1 ILE 591 3HD1 ILE 591 -1.007 -3.003 -1.445 693 H GLY 592 H GLY 592 4.882 -3.950 -2.504 694 1HA GLY 592 1HA GLY 592 4.471 -3.859 -5.390 695 2HA GLY 592 2HA GLY 592 5.683 -4.819 -4.548 696 H GLU 593 H GLU 593 4.836 -6.438 -6.060 697 HA GLU 593 HA GLU 593 2.214 -7.450 -5.642 698 1HB GLU 593 1HB GLU 593 3.660 -7.521 -7.802 699 2HB GLU 593 2HB GLU 593 4.524 -8.804 -6.999 700 1HG GLU 593 1HG GLU 593 2.971 -9.670 -8.532 701 2HG GLU 593 2HG GLU 593 2.406 -10.089 -6.863 702 HA PRO 594 HA PRO 594 3.527 -9.856 -2.071 703 1HB PRO 594 1HB PRO 594 1.243 -11.234 -1.736 704 2HB PRO 594 2HB PRO 594 1.352 -9.502 -1.385 705 1HG PRO 594 1HG PRO 594 0.384 -10.854 -3.857 706 2HG PRO 594 2HG PRO 594 -0.460 -9.627 -2.907 707 1HD PRO 594 1HD PRO 594 0.943 -8.920 -5.128 708 2HD PRO 594 2HD PRO 594 1.003 -7.916 -3.681 709 H ARG 595 H ARG 595 3.604 -12.185 -1.437 710 HA ARG 595 HA ARG 595 3.328 -14.118 -3.585 711 1HB ARG 595 1HB ARG 595 5.585 -14.853 -3.542 712 2HB ARG 595 2HB ARG 595 5.699 -13.103 -3.639 713 1HG ARG 595 1HG ARG 595 5.958 -13.074 -1.166 714 2HG ARG 595 2HG ARG 595 6.100 -14.824 -1.210 715 1HD ARG 595 1HD ARG 595 8.307 -14.032 -1.215 716 2HD ARG 595 2HD ARG 595 7.992 -14.387 -2.918 717 HE ARG 595 HE ARG 595 7.438 -12.045 -3.168 718 1HH1 ARG 595 1HH1 ARG 595 9.903 -13.112 -0.881 719 2HH1 ARG 595 2HH1 ARG 595 10.354 -11.535 -0.401 720 1HH2 ARG 595 1HH2 ARG 595 8.110 -9.789 -2.444 721 2HH2 ARG 595 2HH2 ARG 595 9.340 -9.731 -1.220 722 H LEU 596 H LEU 596 3.224 -16.284 -2.663 723 HA LEU 596 HA LEU 596 2.329 -16.258 0.078 724 1HB LEU 596 1HB LEU 596 1.734 -17.771 -2.169 725 2HB LEU 596 2HB LEU 596 2.823 -18.824 -1.303 726 HG LEU 596 HG LEU 596 0.707 -19.534 -0.683 727 1HD1 LEU 596 1HD1 LEU 596 2.094 -19.334 1.252 728 2HD1 LEU 596 2HD1 LEU 596 0.404 -19.015 1.663 729 3HD1 LEU 596 3HD1 LEU 596 1.542 -17.675 1.497 730 1HD2 LEU 596 1HD2 LEU 596 -1.109 -18.042 0.065 731 2HD2 LEU 596 2HD2 LEU 596 -0.604 -17.766 -1.603 732 3HD2 LEU 596 3HD2 LEU 596 -0.086 -16.660 -0.339 733 H VAL 597 H VAL 597 3.719 -16.822 1.737 734 HA VAL 597 HA VAL 597 6.511 -17.150 1.201 735 HB VAL 597 HB VAL 597 4.960 -17.660 3.775 736 1HG1 VAL 597 1HG1 VAL 597 7.103 -18.870 3.803 737 2HG1 VAL 597 2HG1 VAL 597 7.126 -17.514 4.931 738 3HG1 VAL 597 3HG1 VAL 597 7.949 -17.385 3.376 739 1HG2 VAL 597 1HG2 VAL 597 5.844 -15.493 4.444 740 2HG2 VAL 597 2HG2 VAL 597 4.860 -15.378 2.981 741 3HG2 VAL 597 3HG2 VAL 597 6.624 -15.347 2.867 742 H GLU 598 H GLU 598 3.870 -19.205 1.633 743 HA GLU 598 HA GLU 598 5.566 -21.542 1.414 744 1HB GLU 598 1HB GLU 598 2.677 -21.316 2.198 745 2HB GLU 598 2HB GLU 598 3.666 -22.780 2.162 746 1HG GLU 598 1HG GLU 598 5.039 -22.018 3.947 747 2HG GLU 598 2HG GLU 598 4.352 -20.400 3.863 748 H MET 599 H MET 599 5.880 -21.310 -0.752 749 HA MET 599 HA MET 599 3.598 -21.097 -2.539 750 1HB MET 599 1HB MET 599 6.551 -21.168 -3.140 751 2HB MET 599 2HB MET 599 5.341 -21.255 -4.402 752 1HG MET 599 1HG MET 599 5.729 -18.980 -2.465 753 2HG MET 599 2HG MET 599 6.235 -19.002 -4.151 754 1HE MET 599 1HE MET 599 2.694 -19.136 -5.949 755 2HE MET 599 2HE MET 599 3.619 -20.537 -5.418 756 3HE MET 599 3HE MET 599 4.437 -19.176 -6.193 757 H SER 600 H SER 600 2.542 -22.933 -2.182 758 HA SER 600 HA SER 600 3.821 -25.467 -2.746 759 1HB SER 600 1HB SER 600 0.951 -24.820 -2.092 760 2HB SER 600 2HB SER 600 1.693 -26.420 -2.086 761 HG SER 600 HG SER 600 3.180 -24.844 -0.556 762 H GLU 601 H GLU 601 3.897 -26.239 -4.752 763 HA GLU 601 HA GLU 601 2.382 -25.003 -6.820 764 1HB GLU 601 1HB GLU 601 3.468 -26.637 -8.331 765 2HB GLU 601 2HB GLU 601 4.607 -25.767 -7.324 766 1HG GLU 601 1HG GLU 601 4.762 -27.731 -5.856 767 2HG GLU 601 2HG GLU 601 3.705 -28.593 -6.973 768 H LYS 602 H LYS 602 0.910 -26.089 -8.217 769 HA LYS 602 HA LYS 602 -1.010 -27.502 -6.605 770 1HB LYS 602 1HB LYS 602 -1.472 -25.739 -8.483 771 2HB LYS 602 2HB LYS 602 -1.337 -27.107 -9.571 772 1HG LYS 602 1HG LYS 602 -3.343 -26.842 -7.319 773 2HG LYS 602 2HG LYS 602 -3.671 -26.555 -9.019 774 1HD LYS 602 1HD LYS 602 -3.201 -28.912 -9.500 775 2HD LYS 602 2HD LYS 602 -2.836 -29.194 -7.801 776 1HE LYS 602 1HE LYS 602 -5.085 -29.942 -8.273 777 2HE LYS 602 2HE LYS 602 -5.150 -28.529 -7.228 778 1HZ LYS 602 1HZ LYS 602 -6.788 -28.325 -8.934 779 2HZ LYS 602 2HZ LYS 602 -5.689 -28.656 -10.131 780 3HZ LYS 602 3HZ LYS 602 -5.585 -27.189 -9.297 781 H LYS 603 H LYS 603 0.172 -29.247 -6.136 782 HA LYS 603 HA LYS 603 1.014 -31.183 -8.035 783 1HB LYS 603 1HB LYS 603 2.060 -30.863 -5.848 784 2HB LYS 603 2HB LYS 603 0.578 -31.377 -5.060 785 1HG LYS 603 1HG LYS 603 0.802 -33.591 -5.974 786 2HG LYS 603 2HG LYS 603 2.211 -33.085 -6.906 787 1HD LYS 603 1HD LYS 603 2.019 -33.103 -3.892 788 2HD LYS 603 2HD LYS 603 2.831 -34.322 -4.872 789 1HE LYS 603 1HE LYS 603 3.585 -31.393 -4.679 790 2HE LYS 603 2HE LYS 603 4.438 -32.741 -3.954 791 1HZ LYS 603 1HZ LYS 603 4.882 -33.608 -6.187 792 2HZ LYS 603 2HZ LYS 603 5.534 -32.074 -5.950 793 3HZ LYS 603 3HZ LYS 603 4.157 -32.246 -6.888 794 H GLY 604 H GLY 604 -0.117 -32.814 -8.853 795 1HA GLY 604 1HA GLY 604 -1.825 -34.439 -8.908 796 2HA GLY 604 2HA GLY 604 -2.682 -33.550 -7.647 797 H GLY 605 H GLY 605 -1.317 -31.771 -10.185 798 1HA GLY 605 1HA GLY 605 -3.849 -31.677 -11.650 799 2HA GLY 605 2HA GLY 605 -3.097 -30.180 -11.102 800 H PHE 606 H PHE 606 -2.506 -29.284 -12.982 801 HA PHE 606 HA PHE 606 -1.121 -30.909 -14.959 802 1HB PHE 606 1HB PHE 606 -2.854 -29.452 -15.798 803 2HB PHE 606 2HB PHE 606 -2.111 -28.049 -15.044 804 HD1 PHE 606 HD1 PHE 606 -0.520 -26.777 -16.237 805 HD2 PHE 606 HD2 PHE 606 -1.620 -30.634 -17.647 806 HE1 PHE 606 HE1 PHE 606 0.719 -26.362 -18.321 807 HE2 PHE 606 HE2 PHE 606 -0.384 -30.230 -19.734 808 HZ PHE 606 HZ PHE 606 0.790 -28.093 -20.073 809 H THR 607 H THR 607 -0.428 -28.502 -12.544 810 HA THR 607 HA THR 607 2.015 -27.881 -13.850 811 HB THR 607 HB THR 607 2.353 -26.375 -11.841 812 HG1 THR 607 HG1 THR 607 0.699 -26.069 -10.538 813 1HG2 THR 607 1HG2 THR 607 0.934 -24.635 -12.912 814 2HG2 THR 607 2HG2 THR 607 0.189 -25.907 -13.888 815 3HG2 THR 607 3HG2 THR 607 1.905 -25.556 -14.059 816 H ILE 608 H ILE 608 3.875 -28.509 -13.495 817 HA ILE 608 HA ILE 608 4.612 -29.806 -10.982 818 HB ILE 608 HB ILE 608 5.585 -30.356 -13.774 819 1HG1 ILE 608 1HG1 ILE 608 3.841 -32.066 -11.988 820 2HG1 ILE 608 2HG1 ILE 608 3.368 -31.296 -13.491 821 1HG2 ILE 608 1HG2 ILE 608 6.302 -31.704 -11.159 822 2HG2 ILE 608 2HG2 ILE 608 7.354 -30.671 -12.130 823 3HG2 ILE 608 3HG2 ILE 608 6.847 -32.244 -12.748 824 1HD1 ILE 608 1HD1 ILE 608 4.904 -32.749 -14.724 825 2HD1 ILE 608 2HD1 ILE 608 3.722 -33.682 -13.806 826 3HD1 ILE 608 3HD1 ILE 608 5.375 -33.523 -13.212 827 H THR 609 H THR 609 6.321 -28.792 -10.087 828 HA THR 609 HA THR 609 8.063 -27.516 -9.728 829 HB THR 609 HB THR 609 8.524 -27.361 -12.708 830 HG1 THR 609 HG1 THR 609 8.748 -29.464 -10.998 831 1HG2 THR 609 1HG2 THR 609 10.875 -26.956 -12.077 832 2HG2 THR 609 2HG2 THR 609 10.412 -27.005 -10.374 833 3HG2 THR 609 3HG2 THR 609 9.802 -25.719 -11.417 834 H GLU 610 H GLU 610 6.339 -26.065 -9.102 835 HA GLU 610 HA GLU 610 6.337 -23.678 -10.805 836 1HB GLU 610 1HB GLU 610 4.538 -24.211 -8.415 837 2HB GLU 610 2HB GLU 610 4.540 -22.765 -9.390 838 1HG GLU 610 1HG GLU 610 3.881 -24.095 -11.350 839 2HG GLU 610 2HG GLU 610 3.775 -25.517 -10.309 840 H GLU 611 H GLU 611 8.179 -22.837 -10.423 841 HA GLU 611 HA GLU 611 8.804 -22.032 -7.678 842 1HB GLU 611 1HB GLU 611 10.766 -22.993 -9.771 843 2HB GLU 611 2HB GLU 611 11.184 -22.401 -8.168 844 1HG GLU 611 1HG GLU 611 9.804 -24.309 -7.255 845 2HG GLU 611 2HG GLU 611 9.766 -24.945 -8.896 846 H TYR 612 H TYR 612 11.079 -20.650 -8.419 847 HA TYR 612 HA TYR 612 11.831 -18.677 -9.004 848 1HB TYR 612 1HB TYR 612 9.692 -18.686 -11.147 849 2HB TYR 612 2HB TYR 612 10.920 -17.437 -10.954 850 HD1 TYR 612 HD1 TYR 612 10.185 -20.698 -12.277 851 HD2 TYR 612 HD2 TYR 612 13.319 -18.056 -11.206 852 HE1 TYR 612 HE1 TYR 612 11.742 -22.008 -13.665 853 HE2 TYR 612 HE2 TYR 612 14.900 -19.349 -12.597 854 HH TYR 612 HH TYR 612 15.088 -21.657 -13.484 855 H ASP 613 H ASP 613 10.689 -18.685 -6.872 856 HA ASP 613 HA ASP 613 8.714 -16.539 -6.671 857 1HB ASP 613 1HB ASP 613 8.274 -18.429 -5.257 858 2HB ASP 613 2HB ASP 613 9.928 -18.434 -4.659 859 H ASP 614 H ASP 614 9.277 -14.519 -6.084 860 HA ASP 614 HA ASP 614 11.581 -13.849 -4.596 861 1HB ASP 614 1HB ASP 614 12.463 -14.423 -6.977 862 2HB ASP 614 2HB ASP 614 11.588 -12.994 -7.500 863 H LYS 615 H LYS 615 11.753 -11.212 -5.468 864 HA LYS 615 HA LYS 615 9.225 -10.146 -4.632 865 1HB LYS 615 1HB LYS 615 11.839 -8.823 -5.430 866 2HB LYS 615 2HB LYS 615 10.422 -7.928 -4.909 867 1HG LYS 615 1HG LYS 615 11.857 -8.032 -3.026 868 2HG LYS 615 2HG LYS 615 10.570 -9.193 -2.737 869 1HD LYS 615 1HD LYS 615 12.481 -10.326 -2.030 870 2HD LYS 615 2HD LYS 615 12.224 -10.948 -3.651 871 1HE LYS 615 1HE LYS 615 14.199 -8.780 -2.892 872 2HE LYS 615 2HE LYS 615 14.598 -10.463 -3.147 873 1HZ LYS 615 1HZ LYS 615 15.161 -9.202 -5.067 874 2HZ LYS 615 2HZ LYS 615 13.627 -8.547 -5.213 875 3HZ LYS 615 3HZ LYS 615 13.878 -10.203 -5.478 876 H GLN 616 H GLN 616 7.775 -10.451 -6.179 877 HA GLN 616 HA GLN 616 8.428 -10.171 -8.951 878 1HB GLN 616 1HB GLN 616 5.834 -10.837 -7.554 879 2HB GLN 616 2HB GLN 616 6.052 -10.818 -9.296 880 1HG GLN 616 1HG GLN 616 7.527 -12.603 -7.369 881 2HG GLN 616 2HG GLN 616 6.165 -13.083 -8.382 882 1HE2 GLN 616 1HE2 GLN 616 6.507 -13.476 -10.578 883 2HE2 GLN 616 2HE2 GLN 616 8.080 -13.511 -11.269 884 HA PRO 617 HA PRO 617 6.631 -6.087 -9.368 885 1HB PRO 617 1HB PRO 617 6.402 -6.022 -12.042 886 2HB PRO 617 2HB PRO 617 7.992 -5.907 -11.275 887 1HG PRO 617 1HG PRO 617 6.673 -8.257 -12.572 888 2HG PRO 617 2HG PRO 617 8.366 -7.738 -12.657 889 1HD PRO 617 1HD PRO 617 7.464 -9.745 -11.018 890 2HD PRO 617 2HD PRO 617 8.908 -8.766 -10.693 891 H LEU 618 H LEU 618 4.592 -5.269 -10.607 892 HA LEU 618 HA LEU 618 2.497 -6.984 -9.803 893 1HB LEU 618 1HB LEU 618 2.653 -4.238 -10.866 894 2HB LEU 618 2HB LEU 618 1.148 -5.091 -11.127 895 HG LEU 618 HG LEU 618 1.170 -3.643 -9.064 896 1HD1 LEU 618 1HD1 LEU 618 0.088 -5.290 -7.694 897 2HD1 LEU 618 2HD1 LEU 618 0.873 -6.587 -8.583 898 3HD1 LEU 618 3HD1 LEU 618 -0.344 -5.574 -9.386 899 1HD2 LEU 618 1HD2 LEU 618 2.922 -5.814 -7.964 900 2HD2 LEU 618 2HD2 LEU 618 2.325 -4.417 -7.094 901 3HD2 LEU 618 3HD2 LEU 618 3.540 -4.213 -8.378 902 H THR 619 H THR 619 2.095 -8.684 -10.742 903 HA THR 619 HA THR 619 2.235 -10.322 -12.377 904 HB THR 619 HB THR 619 -0.004 -10.182 -13.645 905 HG1 THR 619 HG1 THR 619 -0.615 -8.304 -11.661 906 1HG2 THR 619 1HG2 THR 619 -1.221 -10.816 -11.609 907 2HG2 THR 619 2HG2 THR 619 0.100 -10.178 -10.633 908 3HG2 THR 619 3HG2 THR 619 0.369 -11.572 -11.673 909 H SER 620 H SER 620 0.552 -8.193 -14.481 910 HA SER 620 HA SER 620 2.732 -7.799 -16.228 911 1HB SER 620 1HB SER 620 1.607 -10.153 -16.578 912 2HB SER 620 2HB SER 620 0.345 -9.205 -17.363 913 HG SER 620 HG SER 620 1.985 -9.873 -18.870 914 H LYS 621 H LYS 621 2.230 -5.728 -16.911 915 HA LYS 621 HA LYS 621 -0.092 -4.524 -15.843 916 1HB LYS 621 1HB LYS 621 1.956 -3.319 -17.706 917 2HB LYS 621 2HB LYS 621 0.755 -2.416 -16.785 918 1HG LYS 621 1HG LYS 621 1.743 -3.290 -14.694 919 2HG LYS 621 2HG LYS 621 2.957 -4.132 -15.639 920 1HD LYS 621 1HD LYS 621 4.057 -2.209 -14.878 921 2HD LYS 621 2HD LYS 621 3.609 -1.806 -16.526 922 1HE LYS 621 1HE LYS 621 1.978 -1.003 -14.112 923 2HE LYS 621 2HE LYS 621 3.252 -0.001 -14.776 924 1HZ LYS 621 1HZ LYS 621 0.759 -0.814 -16.201 925 2HZ LYS 621 2HZ LYS 621 2.001 0.140 -16.837 926 3HZ LYS 621 3HZ LYS 621 1.100 0.687 -15.533 927 H GLU 622 H GLU 622 0.829 -4.328 -19.282 928 HA GLU 622 HA GLU 622 -2.029 -4.089 -19.947 929 1HB GLU 622 1HB GLU 622 0.377 -3.992 -21.752 930 2HB GLU 622 2HB GLU 622 -1.259 -3.545 -22.178 931 1HG GLU 622 1HG GLU 622 -1.163 -1.627 -20.741 932 2HG GLU 622 2HG GLU 622 0.420 -2.121 -20.131 933 H GLU 623 H GLU 623 0.578 -6.232 -20.009 934 HA GLU 623 HA GLU 623 -0.391 -8.003 -22.055 935 1HB GLU 623 1HB GLU 623 2.027 -7.362 -21.496 936 2HB GLU 623 2HB GLU 623 1.865 -8.329 -20.052 937 1HG GLU 623 1HG GLU 623 1.683 -9.349 -22.875 938 2HG GLU 623 2HG GLU 623 3.115 -9.419 -21.858 939 H GLU 624 H GLU 624 -1.199 -10.178 -21.586 940 HA GLU 624 HA GLU 624 -2.562 -10.271 -18.973 941 1HB GLU 624 1HB GLU 624 -4.261 -11.644 -20.004 942 2HB GLU 624 2HB GLU 624 -4.015 -10.189 -20.958 943 1HG GLU 624 1HG GLU 624 -2.696 -11.427 -22.565 944 2HG GLU 624 2HG GLU 624 -2.845 -12.888 -21.595 945 H GLU 625 H GLU 625 -0.299 -12.135 -20.919 946 HA GLU 625 HA GLU 625 -1.056 -14.632 -19.808 947 1HB GLU 625 1HB GLU 625 1.361 -13.889 -21.407 948 2HB GLU 625 2HB GLU 625 0.895 -15.534 -20.996 949 1HG GLU 625 1HG GLU 625 -1.209 -15.249 -22.201 950 2HG GLU 625 2HG GLU 625 -0.742 -13.602 -22.619 951 H ARG 626 H ARG 626 1.454 -12.321 -19.015 952 HA ARG 626 HA ARG 626 2.565 -14.045 -17.074 953 1HB ARG 626 1HB ARG 626 2.912 -11.184 -17.668 954 2HB ARG 626 2HB ARG 626 3.109 -11.580 -15.983 955 1HG ARG 626 1HG ARG 626 4.578 -12.911 -18.237 956 2HG ARG 626 2HG ARG 626 5.197 -11.587 -17.244 957 1HD ARG 626 1HD ARG 626 4.960 -13.023 -15.243 958 2HD ARG 626 2HD ARG 626 4.408 -14.345 -16.268 959 HE ARG 626 HE ARG 626 6.865 -13.303 -17.151 960 1HH1 ARG 626 1HH1 ARG 626 5.586 -15.379 -14.505 961 2HH1 ARG 626 2HH1 ARG 626 6.972 -16.337 -14.482 962 1HH2 ARG 626 1HH2 ARG 626 8.766 -14.625 -16.967 963 2HH2 ARG 626 2HH2 ARG 626 8.822 -15.896 -15.839 964 H ARG 627 H ARG 627 -0.288 -12.102 -17.041 965 HA ARG 627 HA ARG 627 -0.626 -12.147 -14.191 966 1HB ARG 627 1HB ARG 627 -2.763 -12.065 -16.339 967 2HB ARG 627 2HB ARG 627 -3.005 -11.713 -14.638 968 1HG ARG 627 1HG ARG 627 -1.576 -9.725 -14.880 969 2HG ARG 627 2HG ARG 627 -1.400 -10.102 -16.602 970 1HD ARG 627 1HD ARG 627 -3.813 -9.933 -16.892 971 2HD ARG 627 2HD ARG 627 -3.993 -9.598 -15.172 972 HE ARG 627 HE ARG 627 -2.291 -7.788 -16.644 973 1HH1 ARG 627 1HH1 ARG 627 -5.501 -8.410 -15.259 974 2HH1 ARG 627 2HH1 ARG 627 -6.015 -6.795 -15.370 975 1HH2 ARG 627 1HH2 ARG 627 -3.023 -5.556 -16.815 976 2HH2 ARG 627 2HH2 ARG 627 -4.570 -5.125 -16.285 977 H ILE 628 H ILE 628 -1.749 -14.142 -16.882 978 HA ILE 628 HA ILE 628 -3.116 -16.103 -15.484 979 HB ILE 628 HB ILE 628 -1.391 -16.469 -17.950 980 1HG1 ILE 628 1HG1 ILE 628 -4.340 -15.809 -17.767 981 2HG1 ILE 628 2HG1 ILE 628 -3.080 -14.649 -18.166 982 1HG2 ILE 628 1HG2 ILE 628 -3.724 -18.086 -16.936 983 2HG2 ILE 628 2HG2 ILE 628 -2.024 -18.554 -16.885 984 3HG2 ILE 628 3HG2 ILE 628 -2.839 -18.370 -18.443 985 1HD1 ILE 628 1HD1 ILE 628 -2.530 -15.964 -20.155 986 2HD1 ILE 628 2HD1 ILE 628 -4.194 -15.392 -20.162 987 3HD1 ILE 628 3HD1 ILE 628 -3.841 -17.079 -19.767 988 H ALA 629 H ALA 629 0.324 -15.892 -16.279 989 HA ALA 629 HA ALA 629 0.996 -18.357 -15.050 990 1HB ALA 629 1HB ALA 629 2.377 -17.337 -16.807 991 2HB ALA 629 2HB ALA 629 3.311 -17.684 -15.351 992 3HB ALA 629 3HB ALA 629 2.800 -16.032 -15.700 993 H GLU 630 H GLU 630 0.945 -15.054 -13.909 994 HA GLU 630 HA GLU 630 2.255 -15.825 -11.440 995 1HB GLU 630 1HB GLU 630 1.264 -13.166 -12.400 996 2HB GLU 630 2HB GLU 630 2.081 -13.402 -10.848 997 1HG GLU 630 1HG GLU 630 3.181 -13.710 -13.634 998 2HG GLU 630 2HG GLU 630 3.655 -12.537 -12.425 999 H MET 631 H MET 631 -0.880 -16.040 -12.439 1000 HA MET 631 HA MET 631 -2.129 -14.998 -10.086 1001 1HB MET 631 1HB MET 631 -4.229 -15.957 -10.831 1002 2HB MET 631 2HB MET 631 -3.421 -15.207 -12.190 1003 1HG MET 631 1HG MET 631 -2.731 -17.369 -13.009 1004 2HG MET 631 2HG MET 631 -3.440 -18.153 -11.598 1005 1HE MET 631 1HE MET 631 -4.044 -18.914 -14.668 1006 2HE MET 631 2HE MET 631 -5.784 -19.191 -14.590 1007 3HE MET 631 3HE MET 631 -4.740 -19.773 -13.292 1008 H GLY 632 H GLY 632 -0.344 -17.730 -10.553 1009 1HA GLY 632 1HA GLY 632 -1.550 -19.443 -8.612 1010 2HA GLY 632 2HA GLY 632 0.113 -19.537 -9.183 1011 H ARG 633 H ARG 633 0.349 -16.596 -8.514 1012 HA ARG 633 HA ARG 633 1.162 -16.912 -5.730 1013 1HB ARG 633 1HB ARG 633 1.549 -14.670 -7.747 1014 2HB ARG 633 2HB ARG 633 2.075 -14.567 -6.081 1015 1HG ARG 633 1HG ARG 633 3.976 -14.951 -7.435 1016 2HG ARG 633 2HG ARG 633 3.649 -16.466 -6.608 1017 1HD ARG 633 1HD ARG 633 2.764 -17.444 -8.582 1018 2HD ARG 633 2HD ARG 633 2.683 -15.881 -9.395 1019 HE ARG 633 HE ARG 633 4.949 -15.886 -9.703 1020 1HH1 ARG 633 1HH1 ARG 633 3.816 -18.996 -8.340 1021 2HH1 ARG 633 2HH1 ARG 633 5.318 -19.758 -8.482 1022 1HH2 ARG 633 1HH2 ARG 633 7.020 -17.050 -9.969 1023 2HH2 ARG 633 2HH2 ARG 633 7.161 -18.664 -9.466 1024 HA PRO 634 HA PRO 634 -2.406 -14.345 -4.538 1025 1HB PRO 634 1HB PRO 634 -1.123 -12.862 -2.618 1026 2HB PRO 634 2HB PRO 634 -1.954 -14.358 -2.258 1027 1HG PRO 634 1HG PRO 634 0.944 -13.818 -2.590 1028 2HG PRO 634 2HG PRO 634 0.151 -15.056 -1.606 1029 1HD PRO 634 1HD PRO 634 1.427 -15.597 -3.945 1030 2HD PRO 634 2HD PRO 634 0.047 -16.546 -3.359 1031 H ILE 635 H ILE 635 -2.905 -12.419 -5.524 1032 HA ILE 635 HA ILE 635 -0.646 -10.756 -6.136 1033 HB ILE 635 HB ILE 635 -1.979 -9.956 -8.136 1034 1HG1 ILE 635 1HG1 ILE 635 -3.588 -11.691 -9.084 1035 2HG1 ILE 635 2HG1 ILE 635 -3.625 -12.425 -7.491 1036 1HG2 ILE 635 1HG2 ILE 635 -1.304 -11.890 -9.508 1037 2HG2 ILE 635 2HG2 ILE 635 -1.046 -12.813 -8.028 1038 3HG2 ILE 635 3HG2 ILE 635 -0.067 -11.383 -8.361 1039 1HD1 ILE 635 1HD1 ILE 635 -4.542 -9.654 -8.205 1040 2HD1 ILE 635 2HD1 ILE 635 -4.573 -10.360 -6.588 1041 3HD1 ILE 635 3HD1 ILE 635 -5.565 -11.052 -7.873 1042 H LEU 636 H LEU 636 -1.092 -8.518 -6.453 1043 HA LEU 636 HA LEU 636 -2.156 -7.420 -4.134 1044 1HB LEU 636 1HB LEU 636 -0.290 -6.521 -5.400 1045 2HB LEU 636 2HB LEU 636 -1.361 -6.192 -6.736 1046 HG LEU 636 HG LEU 636 -1.917 -4.799 -4.158 1047 1HD1 LEU 636 1HD1 LEU 636 -0.270 -3.090 -4.741 1048 2HD1 LEU 636 2HD1 LEU 636 0.282 -4.064 -6.098 1049 3HD1 LEU 636 3HD1 LEU 636 0.520 -4.636 -4.444 1050 1HD2 LEU 636 1HD2 LEU 636 -3.371 -4.506 -6.127 1051 2HD2 LEU 636 2HD2 LEU 636 -1.974 -3.973 -7.067 1052 3HD2 LEU 636 3HD2 LEU 636 -2.537 -3.009 -5.701 1053 H GLY 637 H GLY 637 -3.789 -5.795 -3.910 1054 1HA GLY 637 1HA GLY 637 -6.283 -6.834 -4.842 1055 2HA GLY 637 2HA GLY 637 -5.989 -5.585 -3.664 1056 H GLU 638 H GLU 638 -6.922 -3.809 -4.156 1057 HA GLU 638 HA GLU 638 -7.832 -3.397 -6.856 1058 1HB GLU 638 1HB GLU 638 -9.357 -3.454 -4.935 1059 2HB GLU 638 2HB GLU 638 -8.567 -2.035 -4.287 1060 1HG GLU 638 1HG GLU 638 -9.311 -0.722 -6.143 1061 2HG GLU 638 2HG GLU 638 -10.009 -2.154 -6.911 1062 H HIS 639 H HIS 639 -6.794 -1.013 -4.353 1063 HA HIS 639 HA HIS 639 -5.136 0.167 -6.410 1064 1HB HIS 639 1HB HIS 639 -5.868 2.469 -5.871 1065 2HB HIS 639 2HB HIS 639 -7.193 1.503 -6.475 1066 HD1 HIS 639 HD1 HIS 639 -6.915 4.133 -4.365 1067 HD2 HIS 639 HD2 HIS 639 -8.409 0.308 -3.780 1068 HE1 HIS 639 HE1 HIS 639 -8.510 4.296 -2.412 1069 H THR 640 H THR 640 -3.201 0.779 -5.784 1070 HA THR 640 HA THR 640 -2.762 0.724 -2.943 1071 HB THR 640 HB THR 640 -0.562 -0.497 -3.462 1072 HG1 THR 640 HG1 THR 640 -2.074 -0.964 -5.841 1073 1HG2 THR 640 1HG2 THR 640 -1.738 -2.668 -3.341 1074 2HG2 THR 640 2HG2 THR 640 -3.251 -1.853 -3.745 1075 3HG2 THR 640 3HG2 THR 640 -2.418 -1.475 -2.235 1076 H LYS 641 H LYS 641 -2.444 2.884 -2.784 1077 HA LYS 641 HA LYS 641 0.100 3.939 -3.549 1078 1HB LYS 641 1HB LYS 641 -1.094 4.648 -5.482 1079 2HB LYS 641 2HB LYS 641 -2.540 5.037 -4.563 1080 1HG LYS 641 1HG LYS 641 -1.546 7.118 -5.192 1081 2HG LYS 641 2HG LYS 641 -1.207 6.894 -3.479 1082 1HD LYS 641 1HD LYS 641 1.061 6.088 -4.080 1083 2HD LYS 641 2HD LYS 641 0.711 6.485 -5.770 1084 1HE LYS 641 1HE LYS 641 0.731 8.377 -3.425 1085 2HE LYS 641 2HE LYS 641 1.947 8.262 -4.686 1086 1HZ LYS 641 1HZ LYS 641 -0.886 9.012 -5.197 1087 2HZ LYS 641 2HZ LYS 641 0.379 9.065 -6.296 1088 3HZ LYS 641 3HZ LYS 641 0.351 10.137 -5.005 1089 H LEU 642 H LEU 642 0.693 5.246 -1.873 1090 HA LEU 642 HA LEU 642 -1.472 6.362 -0.289 1091 1HB LEU 642 1HB LEU 642 -0.473 4.366 0.840 1092 2HB LEU 642 2HB LEU 642 1.056 5.233 0.793 1093 HG LEU 642 HG LEU 642 -0.075 7.067 2.067 1094 1HD1 LEU 642 1HD1 LEU 642 -2.128 4.926 2.478 1095 2HD1 LEU 642 2HD1 LEU 642 -2.364 6.543 1.781 1096 3HD1 LEU 642 3HD1 LEU 642 -1.944 6.351 3.490 1097 1HD2 LEU 642 1HD2 LEU 642 0.218 5.899 4.199 1098 2HD2 LEU 642 2HD2 LEU 642 1.551 5.686 3.068 1099 3HD2 LEU 642 3HD2 LEU 642 0.384 4.384 3.305 1100 H GLU 643 H GLU 643 -1.202 8.366 -0.913 1101 HA GLU 643 HA GLU 643 1.473 9.486 -0.990 1102 1HB GLU 643 1HB GLU 643 -0.320 9.958 -2.762 1103 2HB GLU 643 2HB GLU 643 -1.141 10.867 -1.508 1104 1HG GLU 643 1HG GLU 643 0.551 12.473 -1.395 1105 2HG GLU 643 2HG GLU 643 1.667 11.471 -2.323 1106 H VAL 644 H VAL 644 2.218 9.971 0.943 1107 HA VAL 644 HA VAL 644 0.391 10.693 3.073 1108 HB VAL 644 HB VAL 644 3.377 10.363 3.138 1109 1HG1 VAL 644 1HG1 VAL 644 3.039 10.003 5.523 1110 2HG1 VAL 644 2HG1 VAL 644 1.304 10.208 5.310 1111 3HG1 VAL 644 3HG1 VAL 644 2.393 11.558 5.003 1112 1HG2 VAL 644 1HG2 VAL 644 2.245 8.331 2.253 1113 2HG2 VAL 644 2HG2 VAL 644 1.351 8.204 3.771 1114 3HG2 VAL 644 3HG2 VAL 644 3.109 8.058 3.746 1115 H ILE 645 H ILE 645 -0.127 12.809 2.891 1116 HA ILE 645 HA ILE 645 2.021 14.656 2.307 1117 HB ILE 645 HB ILE 645 -0.951 15.216 2.720 1118 1HG1 ILE 645 1HG1 ILE 645 -0.664 16.028 0.227 1119 2HG1 ILE 645 2HG1 ILE 645 0.785 15.063 0.267 1120 1HG2 ILE 645 1HG2 ILE 645 -0.483 17.526 2.027 1121 2HG2 ILE 645 2HG2 ILE 645 1.240 17.160 1.992 1122 3HG2 ILE 645 3HG2 ILE 645 0.357 17.094 3.518 1123 1HD1 ILE 645 1HD1 ILE 645 -0.519 13.062 0.738 1124 2HD1 ILE 645 2HD1 ILE 645 -1.087 13.838 -0.734 1125 3HD1 ILE 645 3HD1 ILE 645 -1.995 14.012 0.755 1126 H ILE 646 H ILE 646 3.142 15.522 3.870 1127 HA ILE 646 HA ILE 646 2.221 15.085 6.613 1128 HB ILE 646 HB ILE 646 5.010 15.935 5.782 1129 1HG1 ILE 646 1HG1 ILE 646 5.607 13.428 6.269 1130 2HG1 ILE 646 2HG1 ILE 646 3.911 13.147 5.924 1131 1HG2 ILE 646 1HG2 ILE 646 5.675 15.015 7.938 1132 2HG2 ILE 646 2HG2 ILE 646 4.013 14.543 8.255 1133 3HG2 ILE 646 3HG2 ILE 646 4.433 16.256 8.121 1134 1HD1 ILE 646 1HD1 ILE 646 5.855 14.451 4.041 1135 2HD1 ILE 646 2HD1 ILE 646 4.168 14.066 3.717 1136 3HD1 ILE 646 3HD1 ILE 646 5.333 12.767 3.979 1137 H GLU 647 H GLU 647 1.207 16.815 7.325 1138 HA GLU 647 HA GLU 647 2.177 19.403 6.401 1139 1HB GLU 647 1HB GLU 647 -0.180 20.173 6.862 1140 2HB GLU 647 2HB GLU 647 0.048 19.116 5.476 1141 1HG GLU 647 1HG GLU 647 -0.787 17.233 6.720 1142 2HG GLU 647 2HG GLU 647 -0.913 18.211 8.181 1143 H GLU 648 H GLU 648 2.108 21.118 7.822 1144 HA GLU 648 HA GLU 648 3.109 20.608 10.360 1145 1HB GLU 648 1HB GLU 648 1.931 23.114 9.160 1146 2HB GLU 648 2HB GLU 648 2.643 23.074 10.764 1147 1HG GLU 648 1HG GLU 648 4.186 23.953 9.062 1148 2HG GLU 648 2HG GLU 648 4.800 22.500 9.843 1149 H SER 649 H SER 649 2.258 20.471 12.316 1150 HA SER 649 HA SER 649 -0.275 19.420 12.556 1151 1HB SER 649 1HB SER 649 1.572 18.885 14.048 1152 2HB SER 649 2HB SER 649 1.537 20.515 14.708 1153 HG SER 649 HG SER 649 -0.798 18.983 14.713 1154 H TYR 650 H TYR 650 -2.026 20.518 12.173 1155 HA TYR 650 HA TYR 650 -2.578 22.815 13.870 1156 1HB TYR 650 1HB TYR 650 -2.183 23.747 11.641 1157 2HB TYR 650 2HB TYR 650 -3.266 22.567 10.918 1158 HD1 TYR 650 HD1 TYR 650 -3.045 25.782 12.609 1159 HD2 TYR 650 HD2 TYR 650 -5.663 22.723 11.334 1160 HE1 TYR 650 HE1 TYR 650 -4.958 27.315 12.850 1161 HE2 TYR 650 HE2 TYR 650 -7.553 24.118 11.556 1162 HH TYR 650 HH TYR 650 -8.160 26.301 12.848 1163 H GLU 651 H GLU 651 -4.276 20.743 11.505 1164 HA GLU 651 HA GLU 651 -6.087 19.886 13.625 1165 1HB GLU 651 1HB GLU 651 -8.052 20.270 12.262 1166 2HB GLU 651 2HB GLU 651 -7.176 21.784 12.372 1167 1HG GLU 651 1HG GLU 651 -6.195 21.282 10.128 1168 2HG GLU 651 2HG GLU 651 -7.217 19.861 10.085 1169 H PHE 652 H PHE 652 -7.728 18.403 11.924 1170 HA PHE 652 HA PHE 652 -5.905 16.626 10.545 1171 1HB PHE 652 1HB PHE 652 -7.582 15.958 12.844 1172 2HB PHE 652 2HB PHE 652 -7.547 14.799 11.525 1173 HD1 PHE 652 HD1 PHE 652 -5.755 16.293 14.274 1174 HD2 PHE 652 HD2 PHE 652 -5.376 13.747 10.903 1175 HE1 PHE 652 HE1 PHE 652 -3.627 15.470 15.143 1176 HE2 PHE 652 HE2 PHE 652 -3.226 12.909 11.768 1177 HZ PHE 652 HZ PHE 652 -2.349 13.771 13.894 1178 H LYS 653 H LYS 653 -6.650 17.365 8.672 1179 HA LYS 653 HA LYS 653 -9.324 16.433 7.927 1180 1HB LYS 653 1HB LYS 653 -7.633 18.657 6.763 1181 2HB LYS 653 2HB LYS 653 -9.006 17.973 5.921 1182 1HG LYS 653 1HG LYS 653 -9.137 19.344 8.607 1183 2HG LYS 653 2HG LYS 653 -9.520 20.103 7.061 1184 1HD LYS 653 1HD LYS 653 -11.241 18.289 6.728 1185 2HD LYS 653 2HD LYS 653 -10.950 17.807 8.396 1186 1HE LYS 653 1HE LYS 653 -11.869 20.543 7.509 1187 2HE LYS 653 2HE LYS 653 -12.914 19.278 8.140 1188 1HZ LYS 653 1HZ LYS 653 -10.715 20.616 9.674 1189 2HZ LYS 653 2HZ LYS 653 -11.747 19.413 10.249 1190 3HZ LYS 653 3HZ LYS 653 -12.373 20.898 9.796 1191 H SER 654 H SER 654 -8.963 14.439 7.275 1192 HA SER 654 HA SER 654 -7.216 14.052 4.992 1193 1HB SER 654 1HB SER 654 -6.026 13.329 7.172 1194 2HB SER 654 2HB SER 654 -7.276 12.106 7.332 1195 HG SER 654 HG SER 654 -6.577 11.169 5.412 1196 H THR 655 H THR 655 -9.039 13.940 3.734 1197 HA THR 655 HA THR 655 -10.782 11.681 4.184 1198 HB THR 655 HB THR 655 -12.031 13.420 5.218 1199 HG1 THR 655 HG1 THR 655 -13.163 13.485 2.664 1200 1HG2 THR 655 1HG2 THR 655 -12.578 15.581 4.133 1201 2HG2 THR 655 2HG2 THR 655 -11.525 15.146 2.786 1202 3HG2 THR 655 3HG2 THR 655 -10.844 15.383 4.390 1203 H VAL 656 H VAL 656 -10.594 10.491 2.420 1204 HA VAL 656 HA VAL 656 -10.789 11.763 -0.179 1205 HB VAL 656 HB VAL 656 -9.122 10.065 -1.064 1206 1HG1 VAL 656 1HG1 VAL 656 -8.573 12.441 -0.716 1207 2HG1 VAL 656 2HG1 VAL 656 -7.198 11.377 -0.580 1208 3HG1 VAL 656 3HG1 VAL 656 -7.944 12.045 0.888 1209 1HG2 VAL 656 1HG2 VAL 656 -8.502 9.776 1.864 1210 2HG2 VAL 656 2HG2 VAL 656 -7.452 9.221 0.571 1211 3HG2 VAL 656 3HG2 VAL 656 -9.061 8.510 0.766 1212 H ASP 657 H ASP 657 -10.873 9.717 -1.806 1213 HA ASP 657 HA ASP 657 -13.115 8.112 -0.797 1214 1HB ASP 657 1HB ASP 657 -13.770 7.794 -3.093 1215 2HB ASP 657 2HB ASP 657 -13.455 9.507 -2.855 Start of MODEL 12 1 1H HIS 501 1H HIS 501 -9.883 -16.098 -6.459 2 HA HIS 501 HA HIS 501 -8.782 -13.965 -7.974 3 1HB HIS 501 1HB HIS 501 -8.775 -12.274 -6.181 4 2HB HIS 501 2HB HIS 501 -10.409 -12.659 -6.684 5 HD1 HIS 501 HD1 HIS 501 -12.023 -13.431 -4.820 6 HD2 HIS 501 HD2 HIS 501 -8.042 -13.324 -3.626 7 HE1 HIS 501 HE1 HIS 501 -12.038 -13.721 -2.335 8 H ALA 502 H ALA 502 -6.752 -13.187 -6.851 9 HA ALA 502 HA ALA 502 -5.457 -15.494 -5.592 10 1HB ALA 502 1HB ALA 502 -4.248 -12.993 -6.751 11 2HB ALA 502 2HB ALA 502 -4.361 -14.543 -7.591 12 3HB ALA 502 3HB ALA 502 -3.357 -14.377 -6.142 13 H GLY 503 H GLY 503 -5.801 -11.967 -5.310 14 1HA GLY 503 1HA GLY 503 -6.356 -12.055 -2.643 15 2HA GLY 503 2HA GLY 503 -4.617 -11.770 -2.790 16 H ILE 504 H ILE 504 -6.626 -10.050 -1.710 17 HA ILE 504 HA ILE 504 -6.236 -7.751 -3.486 18 HB ILE 504 HB ILE 504 -8.511 -8.139 -1.494 19 1HG1 ILE 504 1HG1 ILE 504 -9.984 -7.812 -3.603 20 2HG1 ILE 504 2HG1 ILE 504 -8.543 -8.226 -4.513 21 1HG2 ILE 504 1HG2 ILE 504 -9.402 -6.010 -2.313 22 2HG2 ILE 504 2HG2 ILE 504 -7.965 -5.815 -3.321 23 3HG2 ILE 504 3HG2 ILE 504 -7.809 -5.838 -1.567 24 1HD1 ILE 504 1HD1 ILE 504 -9.997 -10.142 -4.244 25 2HD1 ILE 504 2HD1 ILE 504 -9.931 -9.970 -2.491 26 3HD1 ILE 504 3HD1 ILE 504 -8.475 -10.399 -3.391 27 H PHE 505 H PHE 505 -4.480 -6.820 -2.577 28 HA PHE 505 HA PHE 505 -4.620 -6.260 0.310 29 1HB PHE 505 1HB PHE 505 -2.150 -6.528 -1.430 30 2HB PHE 505 2HB PHE 505 -2.139 -6.056 0.264 31 HD1 PHE 505 HD1 PHE 505 -3.276 -7.789 1.887 32 HD2 PHE 505 HD2 PHE 505 -1.779 -8.723 -1.979 33 HE1 PHE 505 HE1 PHE 505 -3.071 -10.149 2.540 34 HE2 PHE 505 HE2 PHE 505 -1.575 -11.084 -1.335 35 HZ PHE 505 HZ PHE 505 -2.220 -11.801 0.925 36 H THR 506 H THR 506 -5.162 -4.194 0.593 37 HA THR 506 HA THR 506 -4.078 -2.227 -1.260 38 HB THR 506 HB THR 506 -6.286 -2.956 -2.157 39 HG1 THR 506 HG1 THR 506 -6.533 -0.290 -1.188 40 1HG2 THR 506 1HG2 THR 506 -7.390 -1.794 0.409 41 2HG2 THR 506 2HG2 THR 506 -7.420 -3.497 -0.047 42 3HG2 THR 506 3HG2 THR 506 -8.358 -2.320 -0.966 43 H PHE 507 H PHE 507 -4.154 -0.095 -0.430 44 HA PHE 507 HA PHE 507 -4.123 0.088 2.467 45 1HB PHE 507 1HB PHE 507 -3.721 2.174 0.304 46 2HB PHE 507 2HB PHE 507 -3.553 2.471 2.025 47 HD1 PHE 507 HD1 PHE 507 -1.642 1.695 3.231 48 HD2 PHE 507 HD2 PHE 507 -2.073 0.885 -0.908 49 HE1 PHE 507 HE1 PHE 507 0.720 1.080 3.121 50 HE2 PHE 507 HE2 PHE 507 0.304 0.249 -1.041 51 HZ PHE 507 HZ PHE 507 1.701 0.340 0.986 52 H GLU 508 H GLU 508 -5.575 1.137 3.669 53 HA GLU 508 HA GLU 508 -8.216 1.237 2.755 54 1HB GLU 508 1HB GLU 508 -7.322 1.042 5.149 55 2HB GLU 508 2HB GLU 508 -7.157 2.792 5.097 56 1HG GLU 508 1HG GLU 508 -9.577 2.908 4.492 57 2HG GLU 508 2HG GLU 508 -9.606 1.160 4.792 58 H GLU 509 H GLU 509 -5.782 3.743 3.224 59 HA GLU 509 HA GLU 509 -7.455 5.516 1.656 60 1HB GLU 509 1HB GLU 509 -6.517 7.406 2.979 61 2HB GLU 509 2HB GLU 509 -7.533 6.333 3.932 62 1HG GLU 509 1HG GLU 509 -5.261 5.253 4.616 63 2HG GLU 509 2HG GLU 509 -4.582 6.756 3.988 64 HA PRO 510 HA PRO 510 -3.750 5.469 -0.862 65 1HB PRO 510 1HB PRO 510 -4.616 7.195 -2.756 66 2HB PRO 510 2HB PRO 510 -5.166 5.517 -2.691 67 1HG PRO 510 1HG PRO 510 -6.508 7.990 -1.677 68 2HG PRO 510 2HG PRO 510 -7.207 6.649 -2.605 69 1HD PRO 510 1HD PRO 510 -7.517 6.843 0.059 70 2HD PRO 510 2HD PRO 510 -7.344 5.278 -0.750 71 H VAL 511 H VAL 511 -5.221 8.155 0.701 72 HA VAL 511 HA VAL 511 -2.667 9.579 0.673 73 HB VAL 511 HB VAL 511 -5.399 10.899 0.316 74 1HG1 VAL 511 1HG1 VAL 511 -4.099 12.220 1.821 75 2HG1 VAL 511 2HG1 VAL 511 -4.095 13.020 0.238 76 3HG1 VAL 511 3HG1 VAL 511 -2.696 12.081 0.778 77 1HG2 VAL 511 1HG2 VAL 511 -2.975 10.953 -1.455 78 2HG2 VAL 511 2HG2 VAL 511 -4.530 11.729 -1.775 79 3HG2 VAL 511 3HG2 VAL 511 -4.405 9.958 -1.733 80 H THR 512 H THR 512 -2.034 10.159 2.618 81 HA THR 512 HA THR 512 -4.036 10.289 4.693 82 HB THR 512 HB THR 512 -2.809 8.047 4.715 83 HG1 THR 512 HG1 THR 512 -3.742 8.650 6.508 84 1HG2 THR 512 1HG2 THR 512 -0.531 7.997 5.639 85 2HG2 THR 512 2HG2 THR 512 -0.479 9.763 5.569 86 3HG2 THR 512 3HG2 THR 512 -0.589 8.826 4.080 87 H HIS 513 H HIS 513 -3.557 11.873 6.249 88 HA HIS 513 HA HIS 513 -1.289 13.629 5.564 89 1HB HIS 513 1HB HIS 513 -3.996 14.420 6.687 90 2HB HIS 513 2HB HIS 513 -2.618 15.507 6.560 91 HD1 HIS 513 HD1 HIS 513 -2.594 16.915 4.453 92 HD2 HIS 513 HD2 HIS 513 -4.810 13.405 4.044 93 HE1 HIS 513 HE1 HIS 513 -3.680 17.023 2.193 94 H VAL 514 H VAL 514 0.117 14.034 7.129 95 HA VAL 514 HA VAL 514 -0.580 13.028 9.794 96 HB VAL 514 HB VAL 514 1.660 12.092 10.074 97 1HG1 VAL 514 1HG1 VAL 514 0.228 11.014 7.655 98 2HG1 VAL 514 2HG1 VAL 514 -0.070 10.572 9.336 99 3HG1 VAL 514 3HG1 VAL 514 1.461 10.152 8.564 100 1HG2 VAL 514 1HG2 VAL 514 2.893 13.516 8.547 101 2HG2 VAL 514 2HG2 VAL 514 2.070 12.794 7.169 102 3HG2 VAL 514 3HG2 VAL 514 3.172 11.820 8.144 103 H SER 515 H SER 515 0.709 13.816 11.498 104 HA SER 515 HA SER 515 1.117 16.604 11.221 105 1HB SER 515 1HB SER 515 0.116 15.657 13.248 106 2HB SER 515 2HB SER 515 1.609 14.787 13.593 107 HG SER 515 HG SER 515 0.950 17.348 14.155 108 H GLU 516 H GLU 516 2.953 17.703 11.416 109 HA GLU 516 HA GLU 516 5.411 16.589 10.650 110 1HB GLU 516 1HB GLU 516 4.706 18.956 10.353 111 2HB GLU 516 2HB GLU 516 4.759 19.160 12.092 112 1HG GLU 516 1HG GLU 516 7.189 18.427 11.911 113 2HG GLU 516 2HG GLU 516 6.995 18.698 10.201 114 H SER 517 H SER 517 3.673 16.680 13.628 115 HA SER 517 HA SER 517 6.121 16.311 15.189 116 1HB SER 517 1HB SER 517 3.369 17.182 16.088 117 2HB SER 517 2HB SER 517 4.790 17.031 17.126 118 HG SER 517 HG SER 517 5.782 18.503 15.545 119 H ILE 518 H ILE 518 4.571 14.287 13.601 120 HA ILE 518 HA ILE 518 3.535 12.573 15.722 121 HB ILE 518 HB ILE 518 2.306 12.876 13.498 122 1HG1 ILE 518 1HG1 ILE 518 3.028 10.027 14.163 123 2HG1 ILE 518 2HG1 ILE 518 1.922 11.002 15.129 124 1HG2 ILE 518 1HG2 ILE 518 3.046 11.488 11.623 125 2HG2 ILE 518 2HG2 ILE 518 4.507 11.071 12.513 126 3HG2 ILE 518 3HG2 ILE 518 4.231 12.739 12.005 127 1HD1 ILE 518 1HD1 ILE 518 0.540 11.316 13.222 128 2HD1 ILE 518 2HD1 ILE 518 0.714 9.584 13.611 129 3HD1 ILE 518 3HD1 ILE 518 1.603 10.309 12.244 130 H GLY 519 H GLY 519 4.318 10.329 15.852 131 1HA GLY 519 1HA GLY 519 7.158 10.188 15.171 132 2HA GLY 519 2HA GLY 519 6.347 9.291 16.458 133 H ILE 520 H ILE 520 4.495 7.911 15.620 134 HA ILE 520 HA ILE 520 5.413 6.481 13.234 135 HB ILE 520 HB ILE 520 4.384 5.385 15.857 136 1HG1 ILE 520 1HG1 ILE 520 6.792 5.874 15.822 137 2HG1 ILE 520 2HG1 ILE 520 6.493 4.146 15.948 138 1HG2 ILE 520 1HG2 ILE 520 4.842 3.851 13.305 139 2HG2 ILE 520 2HG2 ILE 520 3.291 4.155 14.084 140 3HG2 ILE 520 3HG2 ILE 520 4.489 3.133 14.878 141 1HD1 ILE 520 1HD1 ILE 520 6.972 3.899 13.561 142 2HD1 ILE 520 2HD1 ILE 520 8.330 4.613 14.434 143 3HD1 ILE 520 3HD1 ILE 520 7.286 5.629 13.448 144 H MET 521 H MET 521 3.973 6.465 11.739 145 HA MET 521 HA MET 521 1.131 6.664 12.480 146 1HB MET 521 1HB MET 521 0.704 7.214 10.122 147 2HB MET 521 2HB MET 521 1.861 8.341 10.810 148 1HG MET 521 1HG MET 521 3.683 7.212 9.709 149 2HG MET 521 2HG MET 521 2.590 5.964 9.115 150 1HE MET 521 1HE MET 521 3.612 6.371 6.706 151 2HE MET 521 2HE MET 521 4.621 7.711 7.281 152 3HE MET 521 3HE MET 521 3.570 7.934 5.893 153 H GLU 522 H GLU 522 -0.212 5.022 12.034 154 HA GLU 522 HA GLU 522 1.078 2.618 10.982 155 1HB GLU 522 1HB GLU 522 -1.370 2.629 12.727 156 2HB GLU 522 2HB GLU 522 -0.293 1.307 12.374 157 1HG GLU 522 1HG GLU 522 0.193 1.802 14.554 158 2HG GLU 522 2HG GLU 522 1.467 2.619 13.658 159 H VAL 523 H VAL 523 0.515 2.739 8.915 160 HA VAL 523 HA VAL 523 -2.148 3.556 8.127 161 HB VAL 523 HB VAL 523 0.071 2.488 6.378 162 1HG1 VAL 523 1HG1 VAL 523 -2.361 4.158 5.732 163 2HG1 VAL 523 2HG1 VAL 523 -2.137 2.456 5.335 164 3HG1 VAL 523 3HG1 VAL 523 -1.114 3.678 4.579 165 1HG2 VAL 523 1HG2 VAL 523 0.773 4.436 7.720 166 2HG2 VAL 523 2HG2 VAL 523 -0.561 5.373 7.026 167 3HG2 VAL 523 3HG2 VAL 523 0.734 4.760 5.994 168 H LYS 524 H LYS 524 -3.778 2.275 7.549 169 HA LYS 524 HA LYS 524 -3.529 -0.530 8.127 170 1HB LYS 524 1HB LYS 524 -5.880 1.243 7.577 171 2HB LYS 524 2HB LYS 524 -6.017 -0.491 7.821 172 1HG LYS 524 1HG LYS 524 -4.687 1.304 9.785 173 2HG LYS 524 2HG LYS 524 -6.429 0.955 9.866 174 1HD LYS 524 1HD LYS 524 -5.860 -1.441 9.986 175 2HD LYS 524 2HD LYS 524 -4.150 -1.033 9.973 176 1HE LYS 524 1HE LYS 524 -4.994 -1.569 12.149 177 2HE LYS 524 2HE LYS 524 -4.376 0.090 12.101 178 1HZ LYS 524 1HZ LYS 524 -6.676 0.851 11.940 179 2HZ LYS 524 2HZ LYS 524 -6.470 -0.072 13.327 180 3HZ LYS 524 3HZ LYS 524 -7.238 -0.738 11.983 181 H VAL 525 H VAL 525 -3.414 -2.041 6.822 182 HA VAL 525 HA VAL 525 -4.072 -1.683 3.958 183 HB VAL 525 HB VAL 525 -2.151 -3.716 5.114 184 1HG1 VAL 525 1HG1 VAL 525 -3.091 -4.312 2.936 185 2HG1 VAL 525 2HG1 VAL 525 -1.368 -3.945 2.805 186 3HG1 VAL 525 3HG1 VAL 525 -2.563 -2.757 2.287 187 1HG2 VAL 525 1HG2 VAL 525 -1.526 -1.066 3.862 188 2HG2 VAL 525 2HG2 VAL 525 -0.346 -2.303 4.329 189 3HG2 VAL 525 3HG2 VAL 525 -1.345 -1.509 5.557 190 H LEU 526 H LEU 526 -5.673 -2.896 3.284 191 HA LEU 526 HA LEU 526 -6.904 -4.678 5.168 192 1HB LEU 526 1HB LEU 526 -7.837 -3.905 2.393 193 2HB LEU 526 2HB LEU 526 -8.766 -4.806 3.566 194 HG LEU 526 HG LEU 526 -9.672 -2.637 3.627 195 1HD1 LEU 526 1HD1 LEU 526 -7.770 -2.765 5.922 196 2HD1 LEU 526 2HD1 LEU 526 -9.404 -3.433 5.842 197 3HD1 LEU 526 3HD1 LEU 526 -9.151 -1.682 5.766 198 1HD2 LEU 526 1HD2 LEU 526 -6.890 -1.525 3.730 199 2HD2 LEU 526 2HD2 LEU 526 -8.382 -0.599 3.860 200 3HD2 LEU 526 3HD2 LEU 526 -8.008 -1.458 2.366 201 H ARG 527 H ARG 527 -7.247 -6.816 4.877 202 HA ARG 527 HA ARG 527 -5.147 -8.149 3.410 203 1HB ARG 527 1HB ARG 527 -5.730 -8.660 5.805 204 2HB ARG 527 2HB ARG 527 -7.248 -9.325 5.232 205 1HG ARG 527 1HG ARG 527 -5.917 -10.912 3.822 206 2HG ARG 527 2HG ARG 527 -4.475 -10.331 4.652 207 1HD ARG 527 1HD ARG 527 -5.177 -12.329 5.703 208 2HD ARG 527 2HD ARG 527 -5.547 -11.001 6.790 209 HE ARG 527 HE ARG 527 -7.831 -11.444 5.294 210 1HH1 ARG 527 1HH1 ARG 527 -5.889 -13.131 7.719 211 2HH1 ARG 527 2HH1 ARG 527 -7.055 -14.302 8.098 212 1HH2 ARG 527 1HH2 ARG 527 -9.512 -13.011 5.832 213 2HH2 ARG 527 2HH2 ARG 527 -9.194 -14.234 6.959 214 H THR 528 H THR 528 -5.591 -10.000 2.136 215 HA THR 528 HA THR 528 -7.686 -9.840 0.305 216 HB THR 528 HB THR 528 -5.594 -10.840 -0.344 217 HG1 THR 528 HG1 THR 528 -6.654 -13.172 -0.691 218 1HG2 THR 528 1HG2 THR 528 -4.859 -11.761 1.798 219 2HG2 THR 528 2HG2 THR 528 -4.825 -13.008 0.552 220 3HG2 THR 528 3HG2 THR 528 -6.139 -12.971 1.728 221 H SER 529 H SER 529 -9.544 -10.939 0.155 222 HA SER 529 HA SER 529 -10.890 -11.933 2.391 223 1HB SER 529 1HB SER 529 -11.881 -10.947 0.280 224 2HB SER 529 2HB SER 529 -11.457 -12.441 -0.536 225 HG SER 529 HG SER 529 -13.256 -12.097 1.618 226 H GLY 530 H GLY 530 -9.139 -13.496 -0.251 227 1HA GLY 530 1HA GLY 530 -9.496 -16.105 1.013 228 2HA GLY 530 2HA GLY 530 -8.895 -15.813 -0.619 229 H ALA 531 H ALA 531 -8.100 -15.478 2.781 230 HA ALA 531 HA ALA 531 -5.274 -15.190 2.122 231 1HB ALA 531 1HB ALA 531 -6.664 -15.170 4.800 232 2HB ALA 531 2HB ALA 531 -6.202 -13.744 3.872 233 3HB ALA 531 3HB ALA 531 -4.961 -14.819 4.517 234 H ARG 532 H ARG 532 -4.323 -17.059 1.643 235 HA ARG 532 HA ARG 532 -4.942 -19.339 3.370 236 1HB ARG 532 1HB ARG 532 -4.121 -19.440 0.460 237 2HB ARG 532 2HB ARG 532 -4.470 -20.824 1.486 238 1HG ARG 532 1HG ARG 532 -6.422 -18.706 0.602 239 2HG ARG 532 2HG ARG 532 -6.351 -20.382 0.046 240 1HD ARG 532 1HD ARG 532 -6.941 -21.184 2.235 241 2HD ARG 532 2HD ARG 532 -6.820 -19.564 2.909 242 HE ARG 532 HE ARG 532 -8.781 -20.210 0.848 243 1HH1 ARG 532 1HH1 ARG 532 -7.984 -18.819 4.037 244 2HH1 ARG 532 2HH1 ARG 532 -9.592 -18.414 4.403 245 1HH2 ARG 532 1HH2 ARG 532 -10.988 -19.616 1.386 246 2HH2 ARG 532 2HH2 ARG 532 -11.319 -18.871 2.891 247 H GLY 533 H GLY 533 -3.384 -19.569 4.726 248 1HA GLY 533 1HA GLY 533 -1.248 -20.477 5.200 249 2HA GLY 533 2HA GLY 533 -0.769 -20.005 3.590 250 H ASN 534 H ASN 534 0.813 -18.704 3.678 251 HA ASN 534 HA ASN 534 0.766 -16.400 5.463 252 1HB ASN 534 1HB ASN 534 2.158 -18.107 6.522 253 2HB ASN 534 2HB ASN 534 3.059 -18.336 5.044 254 1HD2 ASN 534 1HD2 ASN 534 2.153 -15.113 6.289 255 2HD2 ASN 534 2HD2 ASN 534 3.769 -14.687 6.672 256 H VAL 535 H VAL 535 1.104 -14.621 4.301 257 HA VAL 535 HA VAL 535 2.497 -14.860 1.753 258 HB VAL 535 HB VAL 535 0.013 -13.189 2.305 259 1HG1 VAL 535 1HG1 VAL 535 1.654 -13.467 -0.206 260 2HG1 VAL 535 2HG1 VAL 535 1.575 -12.020 0.804 261 3HG1 VAL 535 3HG1 VAL 535 0.141 -12.576 -0.075 262 1HG2 VAL 535 1HG2 VAL 535 -0.985 -14.608 0.537 263 2HG2 VAL 535 2HG2 VAL 535 -0.506 -15.515 1.985 264 3HG2 VAL 535 3HG2 VAL 535 0.519 -15.543 0.548 265 H ILE 536 H ILE 536 4.094 -13.564 1.589 266 HA ILE 536 HA ILE 536 4.438 -11.466 3.600 267 HB ILE 536 HB ILE 536 6.459 -12.912 1.861 268 1HG1 ILE 536 1HG1 ILE 536 5.696 -14.244 3.716 269 2HG1 ILE 536 2HG1 ILE 536 7.340 -13.697 4.033 270 1HG2 ILE 536 1HG2 ILE 536 8.184 -11.653 3.013 271 2HG2 ILE 536 2HG2 ILE 536 6.939 -10.752 3.875 272 3HG2 ILE 536 3HG2 ILE 536 7.102 -10.576 2.122 273 1HD1 ILE 536 1HD1 ILE 536 6.023 -13.528 6.047 274 2HD1 ILE 536 2HD1 ILE 536 4.806 -12.591 5.192 275 3HD1 ILE 536 3HD1 ILE 536 6.404 -11.902 5.460 276 H VAL 537 H VAL 537 4.311 -9.439 3.048 277 HA VAL 537 HA VAL 537 4.195 -8.851 0.179 278 HB VAL 537 HB VAL 537 2.726 -7.353 2.362 279 1HG1 VAL 537 1HG1 VAL 537 1.460 -6.336 0.526 280 2HG1 VAL 537 2HG1 VAL 537 2.473 -7.193 -0.636 281 3HG1 VAL 537 3HG1 VAL 537 3.183 -5.977 0.426 282 1HG2 VAL 537 1HG2 VAL 537 1.801 -9.581 2.206 283 2HG2 VAL 537 2HG2 VAL 537 1.679 -9.453 0.462 284 3HG2 VAL 537 3HG2 VAL 537 0.667 -8.433 1.489 285 HA PRO 538 HA PRO 538 7.637 -6.157 1.417 286 1HB PRO 538 1HB PRO 538 8.398 -5.558 -1.131 287 2HB PRO 538 2HB PRO 538 8.913 -7.015 -0.281 288 1HG PRO 538 1HG PRO 538 6.889 -6.687 -2.415 289 2HG PRO 538 2HG PRO 538 7.912 -8.078 -2.020 290 1HD PRO 538 1HD PRO 538 5.218 -7.821 -1.398 291 2HD PRO 538 2HD PRO 538 6.345 -8.969 -0.655 292 H TYR 539 H TYR 539 7.772 -4.034 1.662 293 HA TYR 539 HA TYR 539 6.130 -2.248 0.051 294 1HB TYR 539 1HB TYR 539 5.190 -1.151 2.007 295 2HB TYR 539 2HB TYR 539 4.792 -2.860 2.091 296 HD1 TYR 539 HD1 TYR 539 6.632 -0.128 3.657 297 HD2 TYR 539 HD2 TYR 539 5.886 -4.305 3.724 298 HE1 TYR 539 HE1 TYR 539 7.619 -0.248 5.887 299 HE2 TYR 539 HE2 TYR 539 6.870 -4.451 5.955 300 HH TYR 539 HH TYR 539 7.630 -1.662 7.778 301 H LYS 540 H LYS 540 6.890 -0.061 0.238 302 HA LYS 540 HA LYS 540 9.324 0.410 1.710 303 1HB LYS 540 1HB LYS 540 10.605 1.073 -0.272 304 2HB LYS 540 2HB LYS 540 10.204 -0.640 -0.299 305 1HG LYS 540 1HG LYS 540 8.413 -0.216 -1.869 306 2HG LYS 540 2HG LYS 540 8.740 1.513 -1.796 307 1HD LYS 540 1HD LYS 540 10.938 1.163 -2.691 308 2HD LYS 540 2HD LYS 540 10.674 -0.586 -2.741 309 1HE LYS 540 1HE LYS 540 8.765 -0.221 -4.255 310 2HE LYS 540 2HE LYS 540 9.098 1.507 -4.223 311 1HZ LYS 540 1HZ LYS 540 11.258 1.047 -5.238 312 2HZ LYS 540 2HZ LYS 540 9.970 0.519 -6.190 313 3HZ LYS 540 3HZ LYS 540 10.871 -0.605 -5.325 314 H THR 541 H THR 541 9.926 2.593 1.707 315 HA THR 541 HA THR 541 7.795 4.448 1.109 316 HB THR 541 HB THR 541 9.542 6.002 2.294 317 HG1 THR 541 HG1 THR 541 11.330 4.600 2.426 318 1HG2 THR 541 1HG2 THR 541 7.415 5.359 3.325 319 2HG2 THR 541 2HG2 THR 541 8.724 5.339 4.514 320 3HG2 THR 541 3HG2 THR 541 8.128 3.831 3.840 321 H ILE 542 H ILE 542 7.906 5.586 -0.701 322 HA ILE 542 HA ILE 542 10.422 5.761 -2.174 323 HB ILE 542 HB ILE 542 7.618 6.673 -2.941 324 1HG1 ILE 542 1HG1 ILE 542 7.915 4.922 -4.817 325 2HG1 ILE 542 2HG1 ILE 542 9.242 4.295 -3.853 326 1HG2 ILE 542 1HG2 ILE 542 10.122 6.780 -4.600 327 2HG2 ILE 542 2HG2 ILE 542 9.212 8.149 -3.957 328 3HG2 ILE 542 3HG2 ILE 542 8.494 7.118 -5.194 329 1HD1 ILE 542 1HD1 ILE 542 7.683 3.847 -2.025 330 2HD1 ILE 542 2HD1 ILE 542 7.201 3.023 -3.514 331 3HD1 ILE 542 3HD1 ILE 542 6.371 4.499 -3.004 332 H GLU 543 H GLU 543 11.603 7.596 -2.144 333 HA GLU 543 HA GLU 543 11.212 9.495 -0.121 334 1HB GLU 543 1HB GLU 543 12.923 9.772 -2.595 335 2HB GLU 543 2HB GLU 543 13.068 10.727 -1.128 336 1HG GLU 543 1HG GLU 543 13.684 8.744 0.129 337 2HG GLU 543 2HG GLU 543 13.484 7.756 -1.319 338 H GLY 544 H GLY 544 10.786 9.844 -3.613 339 1HA GLY 544 1HA GLY 544 9.349 11.143 -4.796 340 2HA GLY 544 2HA GLY 544 8.501 11.489 -3.296 341 H THR 545 H THR 545 8.818 13.346 -2.301 342 HA THR 545 HA THR 545 10.875 15.140 -3.353 343 HB THR 545 HB THR 545 8.730 15.810 -4.330 344 HG1 THR 545 HG1 THR 545 10.123 17.487 -3.686 345 1HG2 THR 545 1HG2 THR 545 7.718 16.016 -1.503 346 2HG2 THR 545 2HG2 THR 545 7.209 14.835 -2.709 347 3HG2 THR 545 3HG2 THR 545 6.836 16.546 -2.935 348 H ALA 546 H ALA 546 10.382 13.345 -0.901 349 HA ALA 546 HA ALA 546 11.078 15.380 1.087 350 1HB ALA 546 1HB ALA 546 10.269 13.753 2.786 351 2HB ALA 546 2HB ALA 546 9.721 12.706 1.471 352 3HB ALA 546 3HB ALA 546 9.000 14.306 1.698 353 H ARG 547 H ARG 547 12.843 14.756 2.536 354 HA ARG 547 HA ARG 547 14.751 13.150 1.126 355 1HB ARG 547 1HB ARG 547 15.089 15.393 2.123 356 2HB ARG 547 2HB ARG 547 15.050 14.584 3.685 357 1HG ARG 547 1HG ARG 547 16.949 13.385 3.275 358 2HG ARG 547 2HG ARG 547 16.861 13.673 1.539 359 1HD ARG 547 1HD ARG 547 18.506 15.110 2.476 360 2HD ARG 547 2HD ARG 547 17.025 15.864 1.808 361 HE ARG 547 HE ARG 547 16.403 15.741 4.405 362 1HH1 ARG 547 1HH1 ARG 547 19.270 17.085 2.876 363 2HH1 ARG 547 2HH1 ARG 547 19.477 18.326 4.023 364 1HH2 ARG 547 1HH2 ARG 547 16.693 17.414 6.035 365 2HH2 ARG 547 2HH2 ARG 547 17.982 18.514 5.844 366 H GLY 548 H GLY 548 15.386 11.181 1.776 367 1HA GLY 548 1HA GLY 548 13.887 9.966 3.988 368 2HA GLY 548 2HA GLY 548 14.658 9.089 2.677 369 H GLY 549 H GLY 549 15.223 7.944 4.825 370 1HA GLY 549 1HA GLY 549 17.114 7.139 5.879 371 2HA GLY 549 2HA GLY 549 18.019 8.489 5.215 372 H GLY 550 H GLY 550 15.093 9.069 7.019 373 1HA GLY 550 1HA GLY 550 14.851 9.511 9.293 374 2HA GLY 550 2HA GLY 550 16.595 9.489 9.468 375 H GLU 551 H GLU 551 15.627 11.346 6.814 376 HA GLU 551 HA GLU 551 16.361 13.764 8.248 377 1HB GLU 551 1HB GLU 551 15.708 13.317 5.343 378 2HB GLU 551 2HB GLU 551 16.340 14.807 6.033 379 1HG GLU 551 1HG GLU 551 17.754 12.184 6.177 380 2HG GLU 551 2HG GLU 551 17.946 13.329 4.852 381 H ASP 552 H ASP 552 13.903 13.224 5.765 382 HA ASP 552 HA ASP 552 12.023 14.802 7.367 383 1HB ASP 552 1HB ASP 552 11.895 13.948 4.454 384 2HB ASP 552 2HB ASP 552 10.546 14.701 5.282 385 H PHE 553 H PHE 553 12.684 11.649 6.178 386 HA PHE 553 HA PHE 553 10.707 10.602 7.991 387 1HB PHE 553 1HB PHE 553 9.606 9.168 6.425 388 2HB PHE 553 2HB PHE 553 9.514 10.805 5.816 389 HD1 PHE 553 HD1 PHE 553 10.870 11.455 3.846 390 HD2 PHE 553 HD2 PHE 553 10.718 7.472 5.266 391 HE1 PHE 553 HE1 PHE 553 11.703 10.662 1.670 392 HE2 PHE 553 HE2 PHE 553 11.560 6.650 3.096 393 HZ PHE 553 HZ PHE 553 12.047 8.237 1.299 394 H GLU 554 H GLU 554 11.087 8.453 8.528 395 HA GLU 554 HA GLU 554 13.788 7.502 8.131 396 1HB GLU 554 1HB GLU 554 12.384 7.584 10.299 397 2HB GLU 554 2HB GLU 554 11.457 6.282 9.609 398 1HG GLU 554 1HG GLU 554 14.403 6.168 10.224 399 2HG GLU 554 2HG GLU 554 13.124 5.611 11.293 400 H ASP 555 H ASP 555 14.194 5.773 6.694 401 HA ASP 555 HA ASP 555 12.033 5.310 4.803 402 1HB ASP 555 1HB ASP 555 14.171 6.036 3.871 403 2HB ASP 555 2HB ASP 555 14.978 4.650 4.590 404 H THR 556 H THR 556 10.825 3.631 4.992 405 HA THR 556 HA THR 556 11.979 1.305 6.273 406 HB THR 556 HB THR 556 10.298 2.328 7.714 407 HG1 THR 556 HG1 THR 556 10.396 -0.136 7.243 408 1HG2 THR 556 1HG2 THR 556 8.361 1.918 5.444 409 2HG2 THR 556 2HG2 THR 556 8.868 3.457 6.155 410 3HG2 THR 556 3HG2 THR 556 7.917 2.307 7.104 411 H CYS 557 H CYS 557 12.551 -0.012 4.782 412 HA CYS 557 HA CYS 557 10.559 -0.816 2.830 413 1HB CYS 557 1HB CYS 557 12.686 -1.427 1.441 414 2HB CYS 557 2HB CYS 557 12.104 0.233 1.457 415 HG CYS 557 HG CYS 557 14.112 1.331 2.726 416 H GLY 558 H GLY 558 9.854 -2.743 3.286 417 1HA GLY 558 1HA GLY 558 11.605 -4.856 3.975 418 2HA GLY 558 2HA GLY 558 10.663 -4.284 5.351 419 H GLU 559 H GLU 559 9.510 -6.230 5.457 420 HA GLU 559 HA GLU 559 7.463 -6.472 3.413 421 1HB GLU 559 1HB GLU 559 9.311 -8.614 4.378 422 2HB GLU 559 2HB GLU 559 7.776 -8.963 3.572 423 1HG GLU 559 1HG GLU 559 8.516 -7.988 1.569 424 2HG GLU 559 2HG GLU 559 9.934 -7.271 2.333 425 H LEU 560 H LEU 560 5.550 -6.961 4.166 426 HA LEU 560 HA LEU 560 5.135 -7.116 7.055 427 1HB LEU 560 1HB LEU 560 3.283 -6.685 4.728 428 2HB LEU 560 2HB LEU 560 2.744 -6.826 6.384 429 HG LEU 560 HG LEU 560 4.648 -4.690 5.461 430 1HD1 LEU 560 1HD1 LEU 560 1.651 -4.615 5.742 431 2HD1 LEU 560 2HD1 LEU 560 2.575 -4.477 4.240 432 3HD1 LEU 560 3HD1 LEU 560 2.703 -3.225 5.477 433 1HD2 LEU 560 1HD2 LEU 560 2.922 -4.992 7.922 434 2HD2 LEU 560 2HD2 LEU 560 3.917 -3.592 7.536 435 3HD2 LEU 560 3HD2 LEU 560 4.678 -5.148 7.864 436 H GLU 561 H GLU 561 3.935 -8.772 7.988 437 HA GLU 561 HA GLU 561 3.852 -11.160 6.337 438 1HB GLU 561 1HB GLU 561 5.320 -11.311 8.278 439 2HB GLU 561 2HB GLU 561 3.972 -10.930 9.341 440 1HG GLU 561 1HG GLU 561 2.868 -12.983 8.765 441 2HG GLU 561 2HG GLU 561 4.088 -13.311 7.535 442 H PHE 562 H PHE 562 1.944 -11.445 5.467 443 HA PHE 562 HA PHE 562 -0.451 -11.189 7.122 444 1HB PHE 562 1HB PHE 562 0.012 -11.267 4.160 445 2HB PHE 562 2HB PHE 562 -1.518 -11.830 4.804 446 HD1 PHE 562 HD1 PHE 562 0.239 -9.066 3.560 447 HD2 PHE 562 HD2 PHE 562 -2.713 -10.157 6.401 448 HE1 PHE 562 HE1 PHE 562 -0.678 -6.782 3.463 449 HE2 PHE 562 HE2 PHE 562 -3.650 -7.873 6.320 450 HZ PHE 562 HZ PHE 562 -2.635 -6.185 4.842 451 H GLN 563 H GLN 563 -1.805 -12.984 7.340 452 HA GLN 563 HA GLN 563 -0.868 -15.532 6.345 453 1HB GLN 563 1HB GLN 563 -1.354 -14.987 9.296 454 2HB GLN 563 2HB GLN 563 -1.043 -16.551 8.564 455 1HG GLN 563 1HG GLN 563 1.184 -15.795 7.923 456 2HG GLN 563 2HG GLN 563 0.861 -14.248 8.693 457 1HE2 GLN 563 1HE2 GLN 563 1.506 -17.623 9.249 458 2HE2 GLN 563 2HE2 GLN 563 1.796 -17.475 10.938 459 H ASN 564 H ASN 564 -2.594 -17.190 7.342 460 HA ASN 564 HA ASN 564 -5.164 -16.284 6.509 461 1HB ASN 564 1HB ASN 564 -4.462 -18.644 6.237 462 2HB ASN 564 2HB ASN 564 -4.377 -18.816 7.985 463 1HD2 ASN 564 1HD2 ASN 564 -5.896 -20.433 8.061 464 2HD2 ASN 564 2HD2 ASN 564 -7.570 -20.168 7.755 465 H ASP 565 H ASP 565 -3.443 -16.757 9.460 466 HA ASP 565 HA ASP 565 -5.622 -16.212 11.256 467 1HB ASP 565 1HB ASP 565 -3.672 -17.575 11.938 468 2HB ASP 565 2HB ASP 565 -2.642 -16.160 11.770 469 H GLU 566 H GLU 566 -2.774 -14.434 10.177 470 HA GLU 566 HA GLU 566 -3.312 -12.023 11.543 471 1HB GLU 566 1HB GLU 566 -1.594 -12.653 9.176 472 2HB GLU 566 2HB GLU 566 -1.815 -11.004 9.727 473 1HG GLU 566 1HG GLU 566 -0.731 -13.254 11.383 474 2HG GLU 566 2HG GLU 566 0.228 -12.044 10.513 475 H ILE 567 H ILE 567 -4.393 -10.252 11.025 476 HA ILE 567 HA ILE 567 -5.621 -10.075 8.410 477 HB ILE 567 HB ILE 567 -7.328 -8.617 9.417 478 1HG1 ILE 567 1HG1 ILE 567 -6.395 -9.415 12.158 479 2HG1 ILE 567 2HG1 ILE 567 -5.761 -7.970 11.377 480 1HG2 ILE 567 1HG2 ILE 567 -7.171 -11.292 10.784 481 2HG2 ILE 567 2HG2 ILE 567 -7.884 -10.951 9.207 482 3HG2 ILE 567 3HG2 ILE 567 -8.617 -10.287 10.668 483 1HD1 ILE 567 1HD1 ILE 567 -8.667 -8.528 11.948 484 2HD1 ILE 567 2HD1 ILE 567 -7.979 -7.061 11.222 485 3HD1 ILE 567 3HD1 ILE 567 -7.605 -7.479 12.897 486 H VAL 568 H VAL 568 -6.185 -7.532 8.424 487 HA VAL 568 HA VAL 568 -4.831 -5.752 7.548 488 HB VAL 568 HB VAL 568 -6.745 -5.497 9.158 489 1HG1 VAL 568 1HG1 VAL 568 -5.786 -5.931 11.238 490 2HG1 VAL 568 2HG1 VAL 568 -6.308 -4.236 11.230 491 3HG1 VAL 568 3HG1 VAL 568 -4.601 -4.649 11.001 492 1HG2 VAL 568 1HG2 VAL 568 -6.058 -3.739 7.606 493 2HG2 VAL 568 2HG2 VAL 568 -4.862 -3.170 8.772 494 3HG2 VAL 568 3HG2 VAL 568 -6.580 -3.058 9.143 495 H LYS 569 H LYS 569 -3.028 -4.875 7.378 496 HA LYS 569 HA LYS 569 -0.966 -5.250 9.456 497 1HB LYS 569 1HB LYS 569 -0.630 -4.778 6.504 498 2HB LYS 569 2HB LYS 569 0.678 -4.690 7.659 499 1HG LYS 569 1HG LYS 569 -0.966 -7.162 7.210 500 2HG LYS 569 2HG LYS 569 0.485 -6.796 6.297 501 1HD LYS 569 1HD LYS 569 1.304 -8.191 7.940 502 2HD LYS 569 2HD LYS 569 1.592 -6.623 8.628 503 1HE LYS 569 1HE LYS 569 -0.234 -6.831 10.131 504 2HE LYS 569 2HE LYS 569 -0.865 -8.253 9.283 505 1HZ LYS 569 1HZ LYS 569 1.618 -8.044 10.908 506 2HZ LYS 569 2HZ LYS 569 1.235 -9.361 9.932 507 3HZ LYS 569 3HZ LYS 569 0.247 -8.998 11.229 508 H THR 570 H THR 570 0.612 -3.566 9.574 509 HA THR 570 HA THR 570 -0.429 -0.938 8.914 510 HB THR 570 HB THR 570 0.432 -0.181 11.216 511 HG1 THR 570 HG1 THR 570 -0.057 -2.949 11.666 512 1HG2 THR 570 1HG2 THR 570 -2.165 -1.710 10.990 513 2HG2 THR 570 2HG2 THR 570 -1.907 -0.018 10.562 514 3HG2 THR 570 3HG2 THR 570 -1.780 -0.530 12.245 515 H ILE 571 H ILE 571 1.039 0.103 7.902 516 HA ILE 571 HA ILE 571 3.820 -0.675 8.237 517 HB ILE 571 HB ILE 571 2.690 1.435 6.320 518 1HG1 ILE 571 1HG1 ILE 571 3.578 -0.173 4.562 519 2HG1 ILE 571 2HG1 ILE 571 3.699 -1.362 5.849 520 1HG2 ILE 571 1HG2 ILE 571 5.493 0.386 6.549 521 2HG2 ILE 571 2HG2 ILE 571 4.936 1.970 7.074 522 3HG2 ILE 571 3HG2 ILE 571 4.898 1.546 5.358 523 1HD1 ILE 571 1HD1 ILE 571 1.696 -1.616 4.526 524 2HD1 ILE 571 2HD1 ILE 571 1.193 0.020 4.971 525 3HD1 ILE 571 3HD1 ILE 571 1.329 -1.234 6.206 526 H SER 572 H SER 572 4.718 0.080 9.989 527 HA SER 572 HA SER 572 3.948 2.592 11.083 528 1HB SER 572 1HB SER 572 5.798 1.802 12.717 529 2HB SER 572 2HB SER 572 4.285 0.889 12.652 530 HG SER 572 HG SER 572 6.715 -0.007 12.242 531 H VAL 573 H VAL 573 4.770 4.323 10.140 532 HA VAL 573 HA VAL 573 7.576 4.217 9.265 533 HB VAL 573 HB VAL 573 5.470 6.153 8.286 534 1HG1 VAL 573 1HG1 VAL 573 7.719 7.063 8.171 535 2HG1 VAL 573 2HG1 VAL 573 7.114 6.736 6.546 536 3HG1 VAL 573 3HG1 VAL 573 8.275 5.638 7.295 537 1HG2 VAL 573 1HG2 VAL 573 6.557 3.689 6.911 538 2HG2 VAL 573 2HG2 VAL 573 5.551 4.913 6.147 539 3HG2 VAL 573 3HG2 VAL 573 4.910 3.955 7.480 540 H LYS 574 H LYS 574 8.927 5.444 10.294 541 HA LYS 574 HA LYS 574 7.970 7.226 12.322 542 1HB LYS 574 1HB LYS 574 9.824 5.786 12.884 543 2HB LYS 574 2HB LYS 574 10.732 6.312 11.488 544 1HG LYS 574 1HG LYS 574 11.659 7.293 13.470 545 2HG LYS 574 2HG LYS 574 10.920 8.546 12.483 546 1HD LYS 574 1HD LYS 574 8.974 8.584 13.942 547 2HD LYS 574 2HD LYS 574 9.652 7.270 14.909 548 1HE LYS 574 1HE LYS 574 11.547 8.669 15.513 549 2HE LYS 574 2HE LYS 574 10.922 9.981 14.517 550 1HZ LYS 574 1HZ LYS 574 10.470 10.247 16.878 551 2HZ LYS 574 2HZ LYS 574 9.515 8.866 16.895 552 3HZ LYS 574 3HZ LYS 574 9.073 10.210 15.987 553 H VAL 575 H VAL 575 7.207 8.993 11.567 554 HA VAL 575 HA VAL 575 8.380 10.404 9.343 555 HB VAL 575 HB VAL 575 6.250 11.291 11.329 556 1HG1 VAL 575 1HG1 VAL 575 7.011 12.482 8.654 557 2HG1 VAL 575 2HG1 VAL 575 7.307 13.210 10.232 558 3HG1 VAL 575 3HG1 VAL 575 5.656 13.002 9.655 559 1HG2 VAL 575 1HG2 VAL 575 5.935 10.136 8.556 560 2HG2 VAL 575 2HG2 VAL 575 4.626 10.762 9.558 561 3HG2 VAL 575 3HG2 VAL 575 5.527 9.336 10.073 562 H ILE 576 H ILE 576 9.781 12.112 9.560 563 HA ILE 576 HA ILE 576 10.870 12.349 12.249 564 HB ILE 576 HB ILE 576 12.119 13.264 9.641 565 1HG1 ILE 576 1HG1 ILE 576 11.779 10.820 9.643 566 2HG1 ILE 576 2HG1 ILE 576 13.482 11.210 9.681 567 1HG2 ILE 576 1HG2 ILE 576 12.985 14.391 11.627 568 2HG2 ILE 576 2HG2 ILE 576 14.201 13.319 10.936 569 3HG2 ILE 576 3HG2 ILE 576 13.318 12.831 12.382 570 1HD1 ILE 576 1HD1 ILE 576 11.778 10.324 11.980 571 2HD1 ILE 576 2HD1 ILE 576 13.507 10.708 12.075 572 3HD1 ILE 576 3HD1 ILE 576 12.946 9.355 11.076 573 H ASP 577 H ASP 577 10.920 14.230 13.259 574 HA ASP 577 HA ASP 577 9.199 16.329 12.716 575 1HB ASP 577 1HB ASP 577 10.199 16.015 14.914 576 2HB ASP 577 2HB ASP 577 11.803 16.346 14.269 577 H ASP 578 H ASP 578 9.205 17.712 11.186 578 HA ASP 578 HA ASP 578 11.178 17.724 9.199 579 1HB ASP 578 1HB ASP 578 8.842 18.140 8.688 580 2HB ASP 578 2HB ASP 578 8.909 19.657 9.582 581 H GLU 579 H GLU 579 12.944 18.712 8.966 582 HA GLU 579 HA GLU 579 13.890 20.423 11.038 583 1HB GLU 579 1HB GLU 579 16.071 20.078 10.088 584 2HB GLU 579 2HB GLU 579 15.224 18.550 10.230 585 1HG GLU 579 1HG GLU 579 15.353 20.083 7.650 586 2HG GLU 579 2HG GLU 579 16.621 18.971 8.135 587 H GLU 580 H GLU 580 12.606 21.093 7.869 588 HA GLU 580 HA GLU 580 13.744 23.761 8.131 589 1HB GLU 580 1HB GLU 580 14.225 23.982 5.757 590 2HB GLU 580 2HB GLU 580 15.133 22.638 6.415 591 1HG GLU 580 1HG GLU 580 12.559 22.257 4.906 592 2HG GLU 580 2HG GLU 580 14.090 22.439 4.073 593 H TYR 581 H TYR 581 12.608 24.902 5.859 594 HA TYR 581 HA TYR 581 9.934 25.347 6.597 595 1HB TYR 581 1HB TYR 581 9.761 26.614 4.526 596 2HB TYR 581 2HB TYR 581 11.349 26.922 5.210 597 HD1 TYR 581 HD1 TYR 581 9.497 25.508 2.440 598 HD2 TYR 581 HD2 TYR 581 13.374 25.924 4.128 599 HE1 TYR 581 HE1 TYR 581 10.475 24.834 0.327 600 HE2 TYR 581 HE2 TYR 581 14.373 25.253 1.979 601 HH TYR 581 HH TYR 581 12.594 25.173 -0.851 602 H GLU 582 H GLU 582 8.019 24.651 5.332 603 HA GLU 582 HA GLU 582 8.625 22.044 4.220 604 1HB GLU 582 1HB GLU 582 7.909 21.799 6.470 605 2HB GLU 582 2HB GLU 582 6.439 22.702 6.152 606 1HG GLU 582 1HG GLU 582 5.508 20.929 4.967 607 2HG GLU 582 2HG GLU 582 7.071 20.133 4.749 608 H LYS 583 H LYS 583 8.249 22.063 2.287 609 HA LYS 583 HA LYS 583 6.115 23.488 0.990 610 1HB LYS 583 1HB LYS 583 7.856 21.231 -0.001 611 2HB LYS 583 2HB LYS 583 6.854 22.259 -0.999 612 1HG LYS 583 1HG LYS 583 8.281 24.174 -0.381 613 2HG LYS 583 2HG LYS 583 9.309 23.061 0.527 614 1HD LYS 583 1HD LYS 583 8.733 22.907 -2.440 615 2HD LYS 583 2HD LYS 583 10.214 23.526 -1.712 616 1HE LYS 583 1HE LYS 583 10.666 21.315 -0.750 617 2HE LYS 583 2HE LYS 583 9.176 20.693 -1.450 618 1HZ LYS 583 1HZ LYS 583 11.126 20.123 -2.768 619 2HZ LYS 583 2HZ LYS 583 11.495 21.737 -2.966 620 3HZ LYS 583 3HZ LYS 583 10.088 21.111 -3.660 621 H ASN 584 H ASN 584 4.725 21.922 -0.534 622 HA ASN 584 HA ASN 584 3.511 19.934 1.145 623 1HB ASN 584 1HB ASN 584 2.173 21.254 -0.545 624 2HB ASN 584 2HB ASN 584 3.077 20.462 -1.826 625 1HD2 ASN 584 1HD2 ASN 584 0.235 20.496 -1.331 626 2HD2 ASN 584 2HD2 ASN 584 -0.276 18.860 -1.166 627 H LYS 585 H LYS 585 5.296 18.683 1.571 628 HA LYS 585 HA LYS 585 6.100 17.101 -0.691 629 1HB LYS 585 1HB LYS 585 8.166 16.399 0.629 630 2HB LYS 585 2HB LYS 585 8.133 18.016 -0.018 631 1HG LYS 585 1HG LYS 585 9.186 17.906 2.152 632 2HG LYS 585 2HG LYS 585 7.734 18.905 2.232 633 1HD LYS 585 1HD LYS 585 6.571 17.153 3.410 634 2HD LYS 585 2HD LYS 585 7.875 16.013 3.085 635 1HE LYS 585 1HE LYS 585 9.392 17.164 4.504 636 2HE LYS 585 2HE LYS 585 8.328 18.554 4.650 637 1HZ LYS 585 1HZ LYS 585 6.902 17.414 6.023 638 2HZ LYS 585 2HZ LYS 585 8.407 17.024 6.610 639 3HZ LYS 585 3HZ LYS 585 7.535 15.881 5.688 640 H THR 586 H THR 586 6.324 14.936 -0.586 641 HA THR 586 HA THR 586 5.085 13.580 1.592 642 HB THR 586 HB THR 586 3.137 14.324 0.528 643 HG1 THR 586 HG1 THR 586 3.055 12.207 1.013 644 1HG2 THR 586 1HG2 THR 586 4.022 15.090 -1.587 645 2HG2 THR 586 2HG2 THR 586 2.610 14.064 -1.815 646 3HG2 THR 586 3HG2 THR 586 4.232 13.413 -2.136 647 H PHE 587 H PHE 587 5.346 11.481 1.528 648 HA PHE 587 HA PHE 587 7.099 10.422 -0.502 649 1HB PHE 587 1HB PHE 587 7.764 8.797 1.488 650 2HB PHE 587 2HB PHE 587 8.573 10.336 1.278 651 HD1 PHE 587 HD1 PHE 587 5.919 8.627 3.236 652 HD2 PHE 587 HD2 PHE 587 8.582 11.908 2.973 653 HE1 PHE 587 HE1 PHE 587 5.436 9.270 5.636 654 HE2 PHE 587 HE2 PHE 587 8.110 12.505 5.291 655 HZ PHE 587 HZ PHE 587 6.536 11.171 6.612 656 H PHE 588 H PHE 588 6.720 8.249 -1.023 657 HA PHE 588 HA PHE 588 3.838 7.700 -0.727 658 1HB PHE 588 1HB PHE 588 5.575 6.662 -2.960 659 2HB PHE 588 2HB PHE 588 3.826 6.803 -2.899 660 HD1 PHE 588 HD1 PHE 588 6.713 8.190 -4.190 661 HD2 PHE 588 HD2 PHE 588 2.970 9.305 -2.538 662 HE1 PHE 588 HE1 PHE 588 6.894 10.389 -5.290 663 HE2 PHE 588 HE2 PHE 588 3.132 11.506 -3.640 664 HZ PHE 588 HZ PHE 588 5.093 12.047 -5.012 665 H LEU 589 H LEU 589 3.186 5.703 -0.158 666 HA LEU 589 HA LEU 589 5.302 3.733 0.429 667 1HB LEU 589 1HB LEU 589 3.577 4.731 2.229 668 2HB LEU 589 2HB LEU 589 2.527 3.515 1.534 669 HG LEU 589 HG LEU 589 3.490 2.704 3.582 670 1HD1 LEU 589 1HD1 LEU 589 4.633 0.667 2.842 671 2HD1 LEU 589 2HD1 LEU 589 4.620 1.296 1.187 672 3HD1 LEU 589 3HD1 LEU 589 3.104 0.990 2.047 673 1HD2 LEU 589 1HD2 LEU 589 6.153 3.204 2.308 674 2HD2 LEU 589 2HD2 LEU 589 5.897 2.355 3.825 675 3HD2 LEU 589 3HD2 LEU 589 5.452 4.059 3.678 676 H GLU 590 H GLU 590 5.273 1.994 -0.848 677 HA GLU 590 HA GLU 590 2.782 1.235 -2.208 678 1HB GLU 590 1HB GLU 590 4.145 2.501 -3.831 679 2HB GLU 590 2HB GLU 590 5.517 1.454 -3.502 680 1HG GLU 590 1HG GLU 590 4.237 -0.463 -4.375 681 2HG GLU 590 2HG GLU 590 2.906 0.622 -4.750 682 H ILE 591 H ILE 591 2.620 -0.966 -2.631 683 HA ILE 591 HA ILE 591 4.584 -2.642 -1.285 684 HB ILE 591 HB ILE 591 2.781 -4.353 -1.129 685 1HG1 ILE 591 1HG1 ILE 591 0.968 -2.114 -2.074 686 2HG1 ILE 591 2HG1 ILE 591 1.359 -3.570 -2.979 687 1HG2 ILE 591 1HG2 ILE 591 1.534 -3.297 0.709 688 2HG2 ILE 591 2HG2 ILE 591 2.166 -1.724 0.210 689 3HG2 ILE 591 3HG2 ILE 591 3.265 -2.976 0.785 690 1HD1 ILE 591 1HD1 ILE 591 -0.843 -3.717 -1.976 691 2HD1 ILE 591 2HD1 ILE 591 -0.145 -3.432 -0.382 692 3HD1 ILE 591 3HD1 ILE 591 0.241 -4.916 -1.262 693 H GLY 592 H GLY 592 5.195 -4.537 -2.346 694 1HA GLY 592 1HA GLY 592 5.036 -4.221 -5.261 695 2HA GLY 592 2HA GLY 592 6.325 -5.037 -4.386 696 H GLU 593 H GLU 593 6.261 -6.966 -5.325 697 HA GLU 593 HA GLU 593 3.830 -8.410 -5.825 698 1HB GLU 593 1HB GLU 593 5.653 -8.755 -7.307 699 2HB GLU 593 2HB GLU 593 6.755 -9.198 -5.987 700 1HG GLU 593 1HG GLU 593 4.902 -11.069 -5.679 701 2HG GLU 593 2HG GLU 593 4.620 -10.726 -7.379 702 HA PRO 594 HA PRO 594 3.955 -10.075 -1.634 703 1HB PRO 594 1HB PRO 594 1.485 -11.175 -1.650 704 2HB PRO 594 2HB PRO 594 1.717 -9.430 -1.481 705 1HG PRO 594 1HG PRO 594 0.995 -11.007 -3.894 706 2HG PRO 594 2HG PRO 594 0.302 -9.486 -3.329 707 1HD PRO 594 1HD PRO 594 2.196 -9.675 -5.296 708 2HD PRO 594 2HD PRO 594 2.034 -8.243 -4.265 709 H ARG 595 H ARG 595 4.341 -12.211 -0.923 710 HA ARG 595 HA ARG 595 4.406 -14.135 -3.126 711 1HB ARG 595 1HB ARG 595 6.569 -14.910 -2.508 712 2HB ARG 595 2HB ARG 595 6.655 -13.165 -2.633 713 1HG ARG 595 1HG ARG 595 6.424 -13.075 -0.148 714 2HG ARG 595 2HG ARG 595 6.620 -14.831 -0.129 715 1HD ARG 595 1HD ARG 595 8.806 -14.217 0.148 716 2HD ARG 595 2HD ARG 595 8.741 -14.213 -1.614 717 HE ARG 595 HE ARG 595 8.843 -11.913 0.166 718 1HH1 ARG 595 1HH1 ARG 595 8.625 -12.963 -3.259 719 2HH1 ARG 595 2HH1 ARG 595 9.111 -11.444 -3.836 720 1HH2 ARG 595 1HH2 ARG 595 9.506 -9.994 -0.631 721 2HH2 ARG 595 2HH2 ARG 595 9.642 -9.680 -2.327 722 H LEU 596 H LEU 596 3.831 -16.176 -2.703 723 HA LEU 596 HA LEU 596 2.474 -16.595 -0.195 724 1HB LEU 596 1HB LEU 596 1.962 -17.299 -2.749 725 2HB LEU 596 2HB LEU 596 2.712 -18.781 -2.172 726 HG LEU 596 HG LEU 596 0.523 -19.247 -1.809 727 1HD1 LEU 596 1HD1 LEU 596 1.130 -17.836 0.761 728 2HD1 LEU 596 2HD1 LEU 596 1.570 -19.485 0.340 729 3HD1 LEU 596 3HD1 LEU 596 -0.125 -19.048 0.520 730 1HD2 LEU 596 1HD2 LEU 596 0.066 -16.353 -1.217 731 2HD2 LEU 596 2HD2 LEU 596 -1.198 -17.589 -1.140 732 3HD2 LEU 596 3HD2 LEU 596 -0.389 -17.229 -2.672 733 H VAL 597 H VAL 597 3.550 -17.456 1.408 734 HA VAL 597 HA VAL 597 6.183 -18.628 1.040 735 HB VAL 597 HB VAL 597 4.532 -18.407 3.583 736 1HG1 VAL 597 1HG1 VAL 597 6.660 -18.686 4.771 737 2HG1 VAL 597 2HG1 VAL 597 7.492 -18.902 3.233 738 3HG1 VAL 597 3HG1 VAL 597 6.302 -20.090 3.765 739 1HG2 VAL 597 1HG2 VAL 597 4.957 -16.229 2.620 740 2HG2 VAL 597 2HG2 VAL 597 6.683 -16.587 2.513 741 3HG2 VAL 597 3HG2 VAL 597 5.903 -16.449 4.092 742 H GLU 598 H GLU 598 2.985 -19.619 1.796 743 HA GLU 598 HA GLU 598 3.656 -22.438 1.976 744 1HB GLU 598 1HB GLU 598 0.943 -21.081 1.841 745 2HB GLU 598 2HB GLU 598 1.259 -22.744 2.310 746 1HG GLU 598 1HG GLU 598 2.191 -20.319 3.831 747 2HG GLU 598 2HG GLU 598 0.762 -21.269 4.213 748 H MET 599 H MET 599 1.634 -23.607 0.473 749 HA MET 599 HA MET 599 1.064 -24.269 -1.594 750 1HB MET 599 1HB MET 599 1.547 -21.356 -2.313 751 2HB MET 599 2HB MET 599 0.924 -22.529 -3.452 752 1HG MET 599 1HG MET 599 -0.503 -22.040 -0.865 753 2HG MET 599 2HG MET 599 -0.686 -20.912 -2.195 754 1HE MET 599 1HE MET 599 -1.233 -24.615 -0.974 755 2HE MET 599 2HE MET 599 -0.453 -24.988 -2.527 756 3HE MET 599 3HE MET 599 -2.163 -25.305 -2.297 757 H SER 600 H SER 600 3.459 -24.940 -0.805 758 HA SER 600 HA SER 600 5.567 -24.275 -2.599 759 1HB SER 600 1HB SER 600 5.219 -26.669 -0.815 760 2HB SER 600 2HB SER 600 6.749 -26.061 -1.457 761 HG SER 600 HG SER 600 5.859 -24.024 -0.306 762 H GLU 601 H GLU 601 3.162 -26.839 -2.324 763 HA GLU 601 HA GLU 601 4.299 -28.226 -4.575 764 1HB GLU 601 1HB GLU 601 1.998 -28.968 -2.766 765 2HB GLU 601 2HB GLU 601 2.627 -29.973 -4.066 766 1HG GLU 601 1HG GLU 601 4.779 -30.098 -2.944 767 2HG GLU 601 2HG GLU 601 4.173 -29.067 -1.654 768 H LYS 602 H LYS 602 3.863 -27.089 -6.284 769 HA LYS 602 HA LYS 602 1.220 -27.131 -7.343 770 1HB LYS 602 1HB LYS 602 1.357 -24.935 -6.030 771 2HB LYS 602 2HB LYS 602 2.675 -24.469 -7.094 772 1HG LYS 602 1HG LYS 602 1.162 -24.630 -9.020 773 2HG LYS 602 2HG LYS 602 -0.146 -25.077 -7.928 774 1HD LYS 602 1HD LYS 602 0.127 -22.908 -6.774 775 2HD LYS 602 2HD LYS 602 1.353 -22.465 -7.966 776 1HE LYS 602 1HE LYS 602 -0.775 -21.511 -8.611 777 2HE LYS 602 2HE LYS 602 -0.313 -22.765 -9.758 778 1HZ LYS 602 1HZ LYS 602 -2.313 -23.009 -7.575 779 2HZ LYS 602 2HZ LYS 602 -1.827 -24.299 -8.540 780 3HZ LYS 602 3HZ LYS 602 -2.622 -22.995 -9.232 781 H LYS 603 H LYS 603 1.475 -27.325 -9.557 782 HA LYS 603 HA LYS 603 4.168 -27.824 -10.241 783 1HB LYS 603 1HB LYS 603 3.256 -28.584 -12.520 784 2HB LYS 603 2HB LYS 603 2.870 -29.522 -11.098 785 1HG LYS 603 1HG LYS 603 0.923 -29.446 -12.448 786 2HG LYS 603 2HG LYS 603 0.633 -28.394 -11.074 787 1HD LYS 603 1HD LYS 603 1.070 -26.442 -12.442 788 2HD LYS 603 2HD LYS 603 1.500 -27.464 -13.809 789 1HE LYS 603 1HE LYS 603 -1.208 -27.357 -12.483 790 2HE LYS 603 2HE LYS 603 -0.774 -26.567 -13.997 791 1HZ LYS 603 1HZ LYS 603 -0.301 -28.773 -14.935 792 2HZ LYS 603 2HZ LYS 603 -1.893 -28.631 -14.445 793 3HZ LYS 603 3HZ LYS 603 -0.812 -29.498 -13.498 794 H GLY 604 H GLY 604 5.550 -26.513 -10.740 795 1HA GLY 604 1HA GLY 604 4.917 -24.041 -12.093 796 2HA GLY 604 2HA GLY 604 6.495 -24.521 -11.465 797 H GLY 605 H GLY 605 4.186 -25.130 -13.960 798 1HA GLY 605 1HA GLY 605 5.775 -24.950 -16.149 799 2HA GLY 605 2HA GLY 605 6.043 -26.604 -15.592 800 H PHE 606 H PHE 606 3.361 -24.375 -16.074 801 HA PHE 606 HA PHE 606 1.722 -26.638 -16.848 802 1HB PHE 606 1HB PHE 606 -0.180 -25.061 -16.834 803 2HB PHE 606 2HB PHE 606 0.633 -25.163 -15.276 804 HD1 PHE 606 HD1 PHE 606 2.368 -23.226 -14.821 805 HD2 PHE 606 HD2 PHE 606 -0.710 -23.058 -17.753 806 HE1 PHE 606 HE1 PHE 606 2.492 -20.770 -14.810 807 HE2 PHE 606 HE2 PHE 606 -0.586 -20.612 -17.750 808 HZ PHE 606 HZ PHE 606 1.007 -19.464 -16.290 809 H THR 607 H THR 607 2.740 -23.530 -18.267 810 HA THR 607 HA THR 607 2.394 -24.843 -20.806 811 HB THR 607 HB THR 607 1.961 -22.492 -21.720 812 HG1 THR 607 HG1 THR 607 1.756 -20.900 -20.346 813 1HG2 THR 607 1HG2 THR 607 -0.449 -22.564 -21.175 814 2HG2 THR 607 2HG2 THR 607 -0.115 -23.724 -19.889 815 3HG2 THR 607 3HG2 THR 607 0.173 -24.165 -21.571 816 H ILE 608 H ILE 608 4.233 -24.823 -21.980 817 HA ILE 608 HA ILE 608 6.320 -24.414 -22.761 818 HB ILE 608 HB ILE 608 6.046 -21.590 -21.674 819 1HG1 ILE 608 1HG1 ILE 608 4.891 -22.699 -24.250 820 2HG1 ILE 608 2HG1 ILE 608 3.966 -22.223 -22.836 821 1HG2 ILE 608 1HG2 ILE 608 7.419 -22.694 -24.143 822 2HG2 ILE 608 2HG2 ILE 608 8.212 -22.105 -22.679 823 3HG2 ILE 608 3HG2 ILE 608 7.329 -20.984 -23.712 824 1HD1 ILE 608 1HD1 ILE 608 5.608 -20.405 -24.578 825 2HD1 ILE 608 2HD1 ILE 608 4.726 -19.931 -23.127 826 3HD1 ILE 608 3HD1 ILE 608 3.843 -20.521 -24.536 827 H THR 609 H THR 609 5.823 -25.067 -19.882 828 HA THR 609 HA THR 609 6.923 -25.592 -17.991 829 HB THR 609 HB THR 609 9.505 -24.799 -19.351 830 HG1 THR 609 HG1 THR 609 9.035 -26.290 -20.750 831 1HG2 THR 609 1HG2 THR 609 9.667 -25.468 -16.980 832 2HG2 THR 609 2HG2 THR 609 10.457 -26.658 -18.018 833 3HG2 THR 609 3HG2 THR 609 8.859 -26.992 -17.349 834 H GLU 610 H GLU 610 6.000 -22.826 -18.520 835 HA GLU 610 HA GLU 610 7.678 -20.950 -17.257 836 1HB GLU 610 1HB GLU 610 4.674 -21.104 -17.500 837 2HB GLU 610 2HB GLU 610 5.502 -19.744 -16.768 838 1HG GLU 610 1HG GLU 610 5.976 -20.677 -19.579 839 2HG GLU 610 2HG GLU 610 4.802 -19.435 -19.145 840 H GLU 611 H GLU 611 8.499 -21.285 -15.356 841 HA GLU 611 HA GLU 611 6.767 -22.273 -13.171 842 1HB GLU 611 1HB GLU 611 8.767 -23.229 -12.150 843 2HB GLU 611 2HB GLU 611 8.615 -23.810 -13.802 844 1HG GLU 611 1HG GLU 611 10.307 -22.280 -14.547 845 2HG GLU 611 2HG GLU 611 10.419 -21.572 -12.937 846 H TYR 612 H TYR 612 6.887 -19.694 -14.061 847 HA TYR 612 HA TYR 612 7.064 -17.561 -13.502 848 1HB TYR 612 1HB TYR 612 8.236 -18.454 -10.837 849 2HB TYR 612 2HB TYR 612 7.744 -16.817 -11.270 850 HD1 TYR 612 HD1 TYR 612 6.673 -19.994 -10.006 851 HD2 TYR 612 HD2 TYR 612 5.336 -16.361 -11.746 852 HE1 TYR 612 HE1 TYR 612 4.398 -20.466 -9.218 853 HE2 TYR 612 HE2 TYR 612 3.065 -16.823 -10.965 854 HH TYR 612 HH TYR 612 1.726 -18.567 -10.260 855 H ASP 613 H ASP 613 8.411 -17.832 -15.210 856 HA ASP 613 HA ASP 613 11.259 -17.751 -14.654 857 1HB ASP 613 1HB ASP 613 9.710 -18.185 -17.196 858 2HB ASP 613 2HB ASP 613 11.455 -17.956 -17.169 859 H ASP 614 H ASP 614 10.637 -15.651 -13.684 860 HA ASP 614 HA ASP 614 11.487 -13.547 -15.424 861 1HB ASP 614 1HB ASP 614 9.536 -12.222 -15.243 862 2HB ASP 614 2HB ASP 614 8.982 -13.886 -15.519 863 H LYS 615 H LYS 615 11.505 -11.536 -13.912 864 HA LYS 615 HA LYS 615 11.465 -12.148 -11.086 865 1HB LYS 615 1HB LYS 615 13.658 -11.256 -10.623 866 2HB LYS 615 2HB LYS 615 13.827 -12.566 -11.774 867 1HG LYS 615 1HG LYS 615 14.112 -10.930 -13.590 868 2HG LYS 615 2HG LYS 615 13.901 -9.628 -12.413 869 1HD LYS 615 1HD LYS 615 16.129 -11.657 -12.448 870 2HD LYS 615 2HD LYS 615 16.259 -9.955 -12.882 871 1HE LYS 615 1HE LYS 615 15.584 -11.075 -10.160 872 2HE LYS 615 2HE LYS 615 17.109 -10.338 -10.634 873 1HZ LYS 615 1HZ LYS 615 15.891 -8.229 -10.950 874 2HZ LYS 615 2HZ LYS 615 15.790 -8.786 -9.386 875 3HZ LYS 615 3HZ LYS 615 14.472 -8.958 -10.397 876 H GLN 616 H GLN 616 9.760 -10.713 -12.785 877 HA GLN 616 HA GLN 616 10.297 -7.908 -12.106 878 1HB GLN 616 1HB GLN 616 8.802 -7.356 -14.037 879 2HB GLN 616 2HB GLN 616 10.259 -8.214 -14.499 880 1HG GLN 616 1HG GLN 616 8.985 -10.280 -14.706 881 2HG GLN 616 2HG GLN 616 7.518 -9.425 -14.232 882 1HE2 GLN 616 1HE2 GLN 616 6.516 -9.896 -16.181 883 2HE2 GLN 616 2HE2 GLN 616 6.957 -9.151 -17.669 884 HA PRO 617 HA PRO 617 6.628 -7.707 -9.592 885 1HB PRO 617 1HB PRO 617 5.515 -5.531 -11.267 886 2HB PRO 617 2HB PRO 617 5.890 -5.533 -9.543 887 1HG PRO 617 1HG PRO 617 7.435 -4.205 -11.259 888 2HG PRO 617 2HG PRO 617 8.134 -5.082 -9.888 889 1HD PRO 617 1HD PRO 617 8.032 -5.863 -12.776 890 2HD PRO 617 2HD PRO 617 9.339 -6.051 -11.595 891 H LEU 618 H LEU 618 4.008 -7.078 -10.047 892 HA LEU 618 HA LEU 618 3.098 -9.444 -11.187 893 1HB LEU 618 1HB LEU 618 1.600 -6.969 -10.406 894 2HB LEU 618 2HB LEU 618 0.792 -8.449 -10.891 895 HG LEU 618 HG LEU 618 0.648 -8.497 -8.579 896 1HD1 LEU 618 1HD1 LEU 618 3.235 -9.918 -9.051 897 2HD1 LEU 618 2HD1 LEU 618 1.657 -10.549 -9.511 898 3HD1 LEU 618 3HD1 LEU 618 2.044 -10.281 -7.796 899 1HD2 LEU 618 1HD2 LEU 618 3.497 -7.612 -8.410 900 2HD2 LEU 618 2HD2 LEU 618 2.387 -7.848 -7.039 901 3HD2 LEU 618 3HD2 LEU 618 2.106 -6.547 -8.201 902 H THR 619 H THR 619 2.831 -9.862 -13.290 903 HA THR 619 HA THR 619 2.365 -7.615 -15.029 904 HB THR 619 HB THR 619 4.112 -8.816 -16.599 905 HG1 THR 619 HG1 THR 619 5.004 -9.402 -13.959 906 1HG2 THR 619 1HG2 THR 619 4.862 -6.992 -14.306 907 2HG2 THR 619 2HG2 THR 619 4.239 -6.477 -15.875 908 3HG2 THR 619 3HG2 THR 619 5.825 -7.246 -15.761 909 H SER 620 H SER 620 0.966 -7.996 -16.582 910 HA SER 620 HA SER 620 0.692 -10.445 -18.017 911 1HB SER 620 1HB SER 620 -1.644 -9.438 -16.336 912 2HB SER 620 2HB SER 620 -1.696 -10.766 -17.489 913 HG SER 620 HG SER 620 0.263 -11.145 -15.694 914 H LYS 621 H LYS 621 0.155 -9.747 -20.064 915 HA LYS 621 HA LYS 621 -1.266 -7.193 -20.205 916 1HB LYS 621 1HB LYS 621 0.922 -8.202 -22.022 917 2HB LYS 621 2HB LYS 621 -0.152 -6.886 -22.485 918 1HG LYS 621 1HG LYS 621 0.590 -5.588 -20.550 919 2HG LYS 621 2HG LYS 621 1.649 -6.912 -20.067 920 1HD LYS 621 1HD LYS 621 2.955 -6.643 -22.090 921 2HD LYS 621 2HD LYS 621 1.835 -5.414 -22.676 922 1HE LYS 621 1HE LYS 621 3.858 -4.387 -21.755 923 2HE LYS 621 2HE LYS 621 2.438 -3.949 -20.814 924 1HZ LYS 621 1HZ LYS 621 3.099 -5.582 -19.140 925 2HZ LYS 621 2HZ LYS 621 4.358 -4.490 -19.449 926 3HZ LYS 621 3HZ LYS 621 4.427 -6.033 -20.088 927 H GLU 622 H GLU 622 -0.595 -9.812 -22.543 928 HA GLU 622 HA GLU 622 -3.524 -9.890 -22.979 929 1HB GLU 622 1HB GLU 622 -3.051 -10.587 -25.290 930 2HB GLU 622 2HB GLU 622 -2.325 -9.024 -24.945 931 1HG GLU 622 1HG GLU 622 -0.159 -10.059 -24.657 932 2HG GLU 622 2HG GLU 622 -0.868 -11.650 -24.900 933 H GLU 623 H GLU 623 -1.113 -11.416 -21.552 934 HA GLU 623 HA GLU 623 -1.428 -14.060 -22.644 935 1HB GLU 623 1HB GLU 623 0.136 -13.275 -20.211 936 2HB GLU 623 2HB GLU 623 0.327 -14.734 -21.162 937 1HG GLU 623 1HG GLU 623 2.186 -13.362 -21.626 938 2HG GLU 623 2HG GLU 623 1.128 -13.219 -23.030 939 H GLU 624 H GLU 624 -3.212 -15.058 -22.082 940 HA GLU 624 HA GLU 624 -4.467 -14.710 -19.557 941 1HB GLU 624 1HB GLU 624 -5.908 -16.678 -20.262 942 2HB GLU 624 2HB GLU 624 -5.954 -15.297 -21.333 943 1HG GLU 624 1HG GLU 624 -4.242 -17.721 -21.850 944 2HG GLU 624 2HG GLU 624 -5.901 -17.578 -22.419 945 H GLU 625 H GLU 625 -2.251 -17.024 -20.948 946 HA GLU 625 HA GLU 625 -2.129 -18.865 -18.846 947 1HB GLU 625 1HB GLU 625 0.025 -17.930 -20.739 948 2HB GLU 625 2HB GLU 625 0.316 -19.166 -19.533 949 1HG GLU 625 1HG GLU 625 -0.065 -20.197 -21.656 950 2HG GLU 625 2HG GLU 625 -1.419 -20.556 -20.594 951 H ARG 626 H ARG 626 -0.639 -15.697 -19.220 952 HA ARG 626 HA ARG 626 1.082 -15.952 -17.008 953 1HB ARG 626 1HB ARG 626 1.319 -14.306 -18.899 954 2HB ARG 626 2HB ARG 626 -0.003 -13.398 -18.169 955 1HG ARG 626 1HG ARG 626 2.198 -12.472 -17.642 956 2HG ARG 626 2HG ARG 626 1.322 -12.992 -16.203 957 1HD ARG 626 1HD ARG 626 2.635 -14.952 -16.003 958 2HD ARG 626 2HD ARG 626 3.318 -14.724 -17.613 959 HE ARG 626 HE ARG 626 4.458 -12.788 -16.727 960 1HH1 ARG 626 1HH1 ARG 626 3.149 -14.848 -14.211 961 2HH1 ARG 626 2HH1 ARG 626 4.514 -14.742 -13.201 962 1HH2 ARG 626 1HH2 ARG 626 6.330 -12.693 -15.420 963 2HH2 ARG 626 2HH2 ARG 626 6.473 -13.583 -13.973 964 H ARG 627 H ARG 627 -2.162 -14.692 -17.472 965 HA ARG 627 HA ARG 627 -2.606 -13.700 -14.881 966 1HB ARG 627 1HB ARG 627 -4.446 -14.779 -16.988 967 2HB ARG 627 2HB ARG 627 -5.060 -14.261 -15.424 968 1HG ARG 627 1HG ARG 627 -3.467 -12.528 -17.287 969 2HG ARG 627 2HG ARG 627 -5.233 -12.537 -17.193 970 1HD ARG 627 1HD ARG 627 -5.070 -12.042 -14.818 971 2HD ARG 627 2HD ARG 627 -3.323 -11.929 -14.967 972 HE ARG 627 HE ARG 627 -4.665 -10.221 -16.821 973 1HH1 ARG 627 1HH1 ARG 627 -3.568 -10.329 -13.435 974 2HH1 ARG 627 2HH1 ARG 627 -3.460 -8.656 -13.255 975 1HH2 ARG 627 1HH2 ARG 627 -4.486 -7.898 -16.582 976 2HH2 ARG 627 2HH2 ARG 627 -3.988 -7.226 -15.099 977 H ILE 628 H ILE 628 -2.738 -16.896 -16.142 978 HA ILE 628 HA ILE 628 -3.925 -18.105 -13.886 979 HB ILE 628 HB ILE 628 -2.288 -19.169 -16.171 980 1HG1 ILE 628 1HG1 ILE 628 -5.237 -19.264 -15.584 981 2HG1 ILE 628 2HG1 ILE 628 -4.460 -18.062 -16.609 982 1HG2 ILE 628 1HG2 ILE 628 -2.077 -20.701 -14.279 983 2HG2 ILE 628 2HG2 ILE 628 -3.070 -21.414 -15.552 984 3HG2 ILE 628 3HG2 ILE 628 -3.832 -20.761 -14.100 985 1HD1 ILE 628 1HD1 ILE 628 -4.578 -21.055 -17.057 986 2HD1 ILE 628 2HD1 ILE 628 -3.756 -19.897 -18.105 987 3HD1 ILE 628 3HD1 ILE 628 -5.510 -19.831 -17.924 988 H ALA 629 H ALA 629 -0.615 -17.607 -14.976 989 HA ALA 629 HA ALA 629 0.609 -18.897 -12.802 990 1HB ALA 629 1HB ALA 629 1.653 -16.627 -14.501 991 2HB ALA 629 2HB ALA 629 1.826 -18.347 -14.844 992 3HB ALA 629 3HB ALA 629 2.636 -17.643 -13.440 993 H GLU 630 H GLU 630 -0.511 -15.628 -13.358 994 HA GLU 630 HA GLU 630 0.460 -14.498 -10.943 995 1HB GLU 630 1HB GLU 630 -1.678 -13.511 -12.827 996 2HB GLU 630 2HB GLU 630 -0.945 -12.570 -11.537 997 1HG GLU 630 1HG GLU 630 0.539 -13.730 -13.874 998 2HG GLU 630 2HG GLU 630 -0.034 -12.075 -13.787 999 H MET 631 H MET 631 -2.010 -16.687 -11.382 1000 HA MET 631 HA MET 631 -3.217 -15.678 -8.929 1001 1HB MET 631 1HB MET 631 -5.149 -17.115 -9.269 1002 2HB MET 631 2HB MET 631 -4.919 -16.046 -10.634 1003 1HG MET 631 1HG MET 631 -3.929 -17.942 -11.870 1004 2HG MET 631 2HG MET 631 -4.287 -18.980 -10.492 1005 1HE MET 631 1HE MET 631 -7.004 -20.074 -13.130 1006 2HE MET 631 2HE MET 631 -5.641 -20.599 -12.138 1007 3HE MET 631 3HE MET 631 -5.373 -19.525 -13.509 1008 H GLY 632 H GLY 632 -0.920 -17.617 -9.907 1009 1HA GLY 632 1HA GLY 632 -1.155 -19.547 -7.730 1010 2HA GLY 632 2HA GLY 632 0.214 -19.386 -8.850 1011 H ARG 633 H ARG 633 0.494 -16.689 -8.762 1012 HA ARG 633 HA ARG 633 1.752 -16.093 -6.247 1013 1HB ARG 633 1HB ARG 633 1.141 -14.458 -8.716 1014 2HB ARG 633 2HB ARG 633 1.865 -13.782 -7.281 1015 1HG ARG 633 1HG ARG 633 3.830 -15.230 -7.626 1016 2HG ARG 633 2HG ARG 633 3.067 -15.861 -9.089 1017 1HD ARG 633 1HD ARG 633 3.049 -13.733 -10.136 1018 2HD ARG 633 2HD ARG 633 3.478 -12.915 -8.645 1019 HE ARG 633 HE ARG 633 5.644 -14.369 -9.006 1020 1HH1 ARG 633 1HH1 ARG 633 3.801 -12.738 -11.583 1021 2HH1 ARG 633 2HH1 ARG 633 5.187 -12.105 -12.339 1022 1HH2 ARG 633 1HH2 ARG 633 7.517 -13.550 -10.121 1023 2HH2 ARG 633 2HH2 ARG 633 7.376 -12.641 -11.539 1024 HA PRO 634 HA PRO 634 -1.980 -13.908 -4.945 1025 1HB PRO 634 1HB PRO 634 -0.874 -12.471 -2.986 1026 2HB PRO 634 2HB PRO 634 -1.432 -14.108 -2.714 1027 1HG PRO 634 1HG PRO 634 1.358 -13.120 -2.950 1028 2HG PRO 634 2HG PRO 634 0.763 -14.594 -2.176 1029 1HD PRO 634 1HD PRO 634 2.035 -14.380 -4.661 1030 2HD PRO 634 2HD PRO 634 1.167 -15.797 -4.045 1031 H ILE 635 H ILE 635 -2.630 -11.664 -5.215 1032 HA ILE 635 HA ILE 635 -0.478 -10.004 -6.279 1033 HB ILE 635 HB ILE 635 -2.099 -8.933 -7.795 1034 1HG1 ILE 635 1HG1 ILE 635 -3.990 -11.198 -7.388 1035 2HG1 ILE 635 2HG1 ILE 635 -4.056 -9.827 -6.278 1036 1HG2 ILE 635 1HG2 ILE 635 -0.660 -10.696 -8.647 1037 2HG2 ILE 635 2HG2 ILE 635 -2.241 -10.769 -9.435 1038 3HG2 ILE 635 3HG2 ILE 635 -1.834 -11.912 -8.152 1039 1HD1 ILE 635 1HD1 ILE 635 -5.622 -9.628 -8.098 1040 2HD1 ILE 635 2HD1 ILE 635 -4.269 -9.674 -9.260 1041 3HD1 ILE 635 3HD1 ILE 635 -4.397 -8.364 -8.058 1042 H LEU 636 H LEU 636 -1.558 -7.669 -6.502 1043 HA LEU 636 HA LEU 636 -2.226 -7.061 -3.765 1044 1HB LEU 636 1HB LEU 636 -1.330 -4.922 -4.091 1045 2HB LEU 636 2HB LEU 636 -0.281 -5.964 -5.001 1046 HG LEU 636 HG LEU 636 -2.163 -3.852 -5.938 1047 1HD1 LEU 636 1HD1 LEU 636 0.676 -4.473 -6.600 1048 2HD1 LEU 636 2HD1 LEU 636 0.048 -3.196 -5.552 1049 3HD1 LEU 636 3HD1 LEU 636 -0.275 -3.153 -7.284 1050 1HD2 LEU 636 1HD2 LEU 636 -2.861 -5.641 -7.315 1051 2HD2 LEU 636 2HD2 LEU 636 -1.196 -6.095 -7.734 1052 3HD2 LEU 636 3HD2 LEU 636 -1.883 -4.556 -8.295 1053 H GLY 637 H GLY 637 -3.612 -4.776 -3.845 1054 1HA GLY 637 1HA GLY 637 -6.168 -5.720 -4.771 1055 2HA GLY 637 2HA GLY 637 -5.827 -4.280 -3.819 1056 H GLU 638 H GLU 638 -6.453 -2.627 -4.784 1057 HA GLU 638 HA GLU 638 -6.324 -2.403 -7.715 1058 1HB GLU 638 1HB GLU 638 -8.610 -2.506 -6.768 1059 2HB GLU 638 2HB GLU 638 -8.257 -1.082 -5.806 1060 1HG GLU 638 1HG GLU 638 -9.581 -0.524 -7.757 1061 2HG GLU 638 2HG GLU 638 -7.990 0.232 -7.828 1062 H HIS 639 H HIS 639 -6.445 -0.317 -4.810 1063 HA HIS 639 HA HIS 639 -4.655 1.467 -6.247 1064 1HB HIS 639 1HB HIS 639 -5.485 3.299 -4.723 1065 2HB HIS 639 2HB HIS 639 -6.679 2.661 -5.838 1066 HD1 HIS 639 HD1 HIS 639 -6.112 3.321 -2.258 1067 HD2 HIS 639 HD2 HIS 639 -8.625 0.947 -4.552 1068 HE1 HIS 639 HE1 HIS 639 -8.047 2.707 -0.763 1069 H THR 640 H THR 640 -2.745 0.686 -5.735 1070 HA THR 640 HA THR 640 -2.130 0.658 -2.901 1071 HB THR 640 HB THR 640 -0.117 -0.693 -3.653 1072 HG1 THR 640 HG1 THR 640 -0.412 -0.001 -5.903 1073 1HG2 THR 640 1HG2 THR 640 -1.425 -2.759 -3.887 1074 2HG2 THR 640 2HG2 THR 640 -2.871 -1.807 -4.224 1075 3HG2 THR 640 3HG2 THR 640 -2.107 -1.721 -2.636 1076 H LYS 641 H LYS 641 -1.771 2.769 -2.639 1077 HA LYS 641 HA LYS 641 0.750 3.844 -3.322 1078 1HB LYS 641 1HB LYS 641 -0.631 4.198 -5.419 1079 2HB LYS 641 2HB LYS 641 -1.757 5.157 -4.476 1080 1HG LYS 641 1HG LYS 641 1.152 5.860 -5.041 1081 2HG LYS 641 2HG LYS 641 -0.237 6.547 -5.875 1082 1HD LYS 641 1HD LYS 641 -0.981 7.457 -3.658 1083 2HD LYS 641 2HD LYS 641 0.532 6.863 -2.978 1084 1HE LYS 641 1HE LYS 641 0.971 9.136 -3.442 1085 2HE LYS 641 2HE LYS 641 1.685 8.263 -4.776 1086 1HZ LYS 641 1HZ LYS 641 0.329 10.302 -5.337 1087 2HZ LYS 641 2HZ LYS 641 -1.035 9.433 -4.957 1088 3HZ LYS 641 3HZ LYS 641 -0.053 8.923 -6.229 1089 H LEU 642 H LEU 642 1.141 4.972 -1.532 1090 HA LEU 642 HA LEU 642 -1.138 6.145 -0.112 1091 1HB LEU 642 1HB LEU 642 -0.178 4.253 1.137 1092 2HB LEU 642 2HB LEU 642 1.396 5.025 1.029 1093 HG LEU 642 HG LEU 642 0.423 6.963 2.282 1094 1HD1 LEU 642 1HD1 LEU 642 -1.801 5.024 2.782 1095 2HD1 LEU 642 2HD1 LEU 642 -1.920 6.588 1.968 1096 3HD1 LEU 642 3HD1 LEU 642 -1.528 6.507 3.685 1097 1HD2 LEU 642 1HD2 LEU 642 0.577 4.295 3.650 1098 2HD2 LEU 642 2HD2 LEU 642 0.602 5.887 4.430 1099 3HD2 LEU 642 3HD2 LEU 642 1.907 5.423 3.342 1100 H GLU 643 H GLU 643 -0.991 8.222 -0.444 1101 HA GLU 643 HA GLU 643 1.634 9.457 -0.691 1102 1HB GLU 643 1HB GLU 643 -0.405 9.855 -2.302 1103 2HB GLU 643 2HB GLU 643 -1.010 10.821 -0.975 1104 1HG GLU 643 1HG GLU 643 0.805 12.315 -1.065 1105 2HG GLU 643 2HG GLU 643 1.679 11.281 -2.188 1106 H VAL 644 H VAL 644 2.428 9.891 1.255 1107 HA VAL 644 HA VAL 644 0.638 10.626 3.430 1108 HB VAL 644 HB VAL 644 3.626 10.292 3.444 1109 1HG1 VAL 644 1HG1 VAL 644 1.608 10.178 5.672 1110 2HG1 VAL 644 2HG1 VAL 644 2.697 11.513 5.318 1111 3HG1 VAL 644 3HG1 VAL 644 3.352 9.968 5.843 1112 1HG2 VAL 644 1HG2 VAL 644 2.421 8.269 2.610 1113 2HG2 VAL 644 2HG2 VAL 644 1.640 8.145 4.196 1114 3HG2 VAL 644 3HG2 VAL 644 3.395 8.016 4.037 1115 H ILE 645 H ILE 645 0.125 12.750 3.230 1116 HA ILE 645 HA ILE 645 2.253 14.561 2.505 1117 HB ILE 645 HB ILE 645 -0.696 15.155 2.995 1118 1HG1 ILE 645 1HG1 ILE 645 -0.503 15.855 0.469 1119 2HG1 ILE 645 2HG1 ILE 645 0.964 14.910 0.494 1120 1HG2 ILE 645 1HG2 ILE 645 0.610 17.060 3.673 1121 2HG2 ILE 645 2HG2 ILE 645 -0.225 17.417 2.155 1122 3HG2 ILE 645 3HG2 ILE 645 1.499 17.031 2.148 1123 1HD1 ILE 645 1HD1 ILE 645 -0.303 12.916 1.098 1124 2HD1 ILE 645 2HD1 ILE 645 -0.924 13.630 -0.386 1125 3HD1 ILE 645 3HD1 ILE 645 -1.782 13.863 1.123 1126 H ILE 646 H ILE 646 3.411 15.555 3.949 1127 HA ILE 646 HA ILE 646 2.615 15.425 6.779 1128 HB ILE 646 HB ILE 646 5.397 16.133 5.819 1129 1HG1 ILE 646 1HG1 ILE 646 5.956 13.599 6.391 1130 2HG1 ILE 646 2HG1 ILE 646 4.257 13.372 6.032 1131 1HG2 ILE 646 1HG2 ILE 646 6.101 15.264 8.009 1132 2HG2 ILE 646 2HG2 ILE 646 4.435 14.882 8.389 1133 3HG2 ILE 646 3HG2 ILE 646 4.925 16.564 8.176 1134 1HD1 ILE 646 1HD1 ILE 646 5.689 12.916 4.117 1135 2HD1 ILE 646 2HD1 ILE 646 6.242 14.591 4.135 1136 3HD1 ILE 646 3HD1 ILE 646 4.549 14.220 3.806 1137 H GLU 647 H GLU 647 2.212 17.335 7.685 1138 HA GLU 647 HA GLU 647 3.252 19.695 6.430 1139 1HB GLU 647 1HB GLU 647 0.886 20.684 6.389 1140 2HB GLU 647 2HB GLU 647 1.352 19.582 5.105 1141 1HG GLU 647 1HG GLU 647 0.133 17.785 6.156 1142 2HG GLU 647 2HG GLU 647 -0.289 18.800 7.524 1143 H GLU 648 H GLU 648 2.496 21.667 7.577 1144 HA GLU 648 HA GLU 648 3.338 21.756 10.199 1145 1HB GLU 648 1HB GLU 648 1.372 23.617 8.848 1146 2HB GLU 648 2HB GLU 648 2.307 23.983 10.288 1147 1HG GLU 648 1HG GLU 648 3.472 23.425 7.566 1148 2HG GLU 648 2HG GLU 648 3.204 25.025 8.241 1149 H SER 649 H SER 649 2.331 21.609 12.153 1150 HA SER 649 HA SER 649 -0.046 20.069 12.087 1151 1HB SER 649 1HB SER 649 1.900 19.520 13.565 1152 2HB SER 649 2HB SER 649 1.492 20.932 14.531 1153 HG SER 649 HG SER 649 0.399 19.457 15.550 1154 H TYR 650 H TYR 650 -1.486 21.530 11.347 1155 HA TYR 650 HA TYR 650 -2.604 23.479 13.266 1156 1HB TYR 650 1HB TYR 650 -2.416 24.685 11.262 1157 2HB TYR 650 2HB TYR 650 -2.598 23.249 10.269 1158 HD1 TYR 650 HD1 TYR 650 -4.712 22.588 9.447 1159 HD2 TYR 650 HD2 TYR 650 -4.472 25.821 12.198 1160 HE1 TYR 650 HE1 TYR 650 -7.022 23.090 8.985 1161 HE2 TYR 650 HE2 TYR 650 -6.831 26.370 11.734 1162 HH TYR 650 HH TYR 650 -8.918 24.253 10.141 1163 H GLU 651 H GLU 651 -3.614 21.181 10.812 1164 HA GLU 651 HA GLU 651 -4.868 19.329 12.343 1165 1HB GLU 651 1HB GLU 651 -6.646 21.232 12.505 1166 2HB GLU 651 2HB GLU 651 -6.823 21.045 10.759 1167 1HG GLU 651 1HG GLU 651 -7.415 18.676 11.110 1168 2HG GLU 651 2HG GLU 651 -7.323 18.933 12.847 1169 H PHE 652 H PHE 652 -5.802 17.830 10.676 1170 HA PHE 652 HA PHE 652 -4.397 18.306 8.201 1171 1HB PHE 652 1HB PHE 652 -4.676 15.738 9.744 1172 2HB PHE 652 2HB PHE 652 -3.804 15.983 8.230 1173 HD1 PHE 652 HD1 PHE 652 -3.552 16.030 11.754 1174 HD2 PHE 652 HD2 PHE 652 -1.984 17.800 8.233 1175 HE1 PHE 652 HE1 PHE 652 -1.660 16.888 13.035 1176 HE2 PHE 652 HE2 PHE 652 -0.061 18.652 9.526 1177 HZ PHE 652 HZ PHE 652 0.080 18.188 11.928 1178 H LYS 653 H LYS 653 -5.977 18.802 6.951 1179 HA LYS 653 HA LYS 653 -8.557 17.570 7.169 1180 1HB LYS 653 1HB LYS 653 -7.587 19.322 4.910 1181 2HB LYS 653 2HB LYS 653 -9.242 19.056 5.430 1182 1HG LYS 653 1HG LYS 653 -7.113 20.574 6.922 1183 2HG LYS 653 2HG LYS 653 -8.486 21.284 6.067 1184 1HD LYS 653 1HD LYS 653 -8.571 19.532 8.538 1185 2HD LYS 653 2HD LYS 653 -8.812 21.273 8.497 1186 1HE LYS 653 1HE LYS 653 -10.817 20.893 7.064 1187 2HE LYS 653 2HE LYS 653 -10.575 19.159 7.269 1188 1HZ LYS 653 1HZ LYS 653 -12.175 19.882 8.890 1189 2HZ LYS 653 2HZ LYS 653 -11.182 21.149 9.353 1190 3HZ LYS 653 3HZ LYS 653 -10.730 19.601 9.755 1191 H SER 654 H SER 654 -8.314 15.477 6.747 1192 HA SER 654 HA SER 654 -6.517 14.341 4.962 1193 1HB SER 654 1HB SER 654 -7.481 13.210 6.961 1194 2HB SER 654 2HB SER 654 -9.018 13.092 6.115 1195 HG SER 654 HG SER 654 -6.872 11.527 5.987 1196 H THR 655 H THR 655 -6.567 14.120 2.854 1197 HA THR 655 HA THR 655 -8.864 14.731 1.276 1198 HB THR 655 HB THR 655 -6.228 13.433 0.510 1199 HG1 THR 655 HG1 THR 655 -5.836 15.471 1.300 1200 1HG2 THR 655 1HG2 THR 655 -8.325 14.770 -1.238 1201 2HG2 THR 655 2HG2 THR 655 -7.958 13.047 -1.195 1202 3HG2 THR 655 3HG2 THR 655 -6.754 14.189 -1.792 1203 H VAL 656 H VAL 656 -10.455 13.282 1.834 1204 HA VAL 656 HA VAL 656 -9.962 10.470 2.051 1205 HB VAL 656 HB VAL 656 -12.612 11.931 1.852 1206 1HG1 VAL 656 1HG1 VAL 656 -11.992 9.154 2.867 1207 2HG1 VAL 656 2HG1 VAL 656 -12.809 9.548 1.356 1208 3HG1 VAL 656 3HG1 VAL 656 -13.574 9.937 2.896 1209 1HG2 VAL 656 1HG2 VAL 656 -12.687 11.759 4.305 1210 2HG2 VAL 656 2HG2 VAL 656 -11.324 12.735 3.756 1211 3HG2 VAL 656 3HG2 VAL 656 -11.059 11.077 4.297 1212 H ASP 657 H ASP 657 -9.688 9.196 0.375 1213 HA ASP 657 HA ASP 657 -11.298 9.609 -2.034 1214 1HB ASP 657 1HB ASP 657 -9.100 10.691 -2.418 1215 2HB ASP 657 2HB ASP 657 -8.304 9.176 -2.023 Start of MODEL 13 1 1H HIS 501 1H HIS 501 -7.707 -13.257 -8.891 2 HA HIS 501 HA HIS 501 -8.495 -12.230 -6.580 3 1HB HIS 501 1HB HIS 501 -10.802 -13.062 -6.975 4 2HB HIS 501 2HB HIS 501 -10.188 -14.702 -7.098 5 HD1 HIS 501 HD1 HIS 501 -12.022 -15.086 -5.071 6 HD2 HIS 501 HD2 HIS 501 -8.649 -12.853 -4.132 7 HE1 HIS 501 HE1 HIS 501 -11.864 -15.071 -2.561 8 H ALA 502 H ALA 502 -6.824 -12.682 -5.442 9 HA ALA 502 HA ALA 502 -5.963 -15.398 -4.938 10 1HB ALA 502 1HB ALA 502 -4.042 -13.307 -5.971 11 2HB ALA 502 2HB ALA 502 -4.530 -14.759 -6.849 12 3HB ALA 502 3HB ALA 502 -3.596 -14.891 -5.352 13 H GLY 503 H GLY 503 -4.914 -12.040 -4.626 14 1HA GLY 503 1HA GLY 503 -5.557 -12.104 -1.872 15 2HA GLY 503 2HA GLY 503 -3.827 -11.944 -2.190 16 H ILE 504 H ILE 504 -6.587 -10.386 -1.674 17 HA ILE 504 HA ILE 504 -5.882 -8.084 -3.257 18 HB ILE 504 HB ILE 504 -8.173 -8.566 -1.370 19 1HG1 ILE 504 1HG1 ILE 504 -9.580 -8.211 -3.510 20 2HG1 ILE 504 2HG1 ILE 504 -8.070 -8.390 -4.385 21 1HG2 ILE 504 1HG2 ILE 504 -7.612 -6.098 -3.037 22 2HG2 ILE 504 2HG2 ILE 504 -7.603 -6.196 -1.277 23 3HG2 ILE 504 3HG2 ILE 504 -9.119 -6.381 -2.164 24 1HD1 ILE 504 1HD1 ILE 504 -9.356 -10.452 -2.608 25 2HD1 ILE 504 2HD1 ILE 504 -7.826 -10.644 -3.467 26 3HD1 ILE 504 3HD1 ILE 504 -9.327 -10.453 -4.372 27 H PHE 505 H PHE 505 -4.175 -7.132 -2.461 28 HA PHE 505 HA PHE 505 -4.223 -6.306 0.358 29 1HB PHE 505 1HB PHE 505 -1.824 -6.564 -1.481 30 2HB PHE 505 2HB PHE 505 -1.777 -6.154 0.230 31 HD1 PHE 505 HD1 PHE 505 -1.487 -8.746 -2.133 32 HD2 PHE 505 HD2 PHE 505 -2.799 -7.961 1.836 33 HE1 PHE 505 HE1 PHE 505 -1.276 -11.135 -1.599 34 HE2 PHE 505 HE2 PHE 505 -2.585 -10.351 2.380 35 HZ PHE 505 HZ PHE 505 -1.823 -11.941 0.663 36 H THR 506 H THR 506 -4.933 -4.242 0.406 37 HA THR 506 HA THR 506 -3.851 -2.363 -1.493 38 HB THR 506 HB THR 506 -5.867 -3.389 -2.612 39 HG1 THR 506 HG1 THR 506 -6.602 -0.742 -2.052 40 1HG2 THR 506 1HG2 THR 506 -7.412 -2.038 -0.389 41 2HG2 THR 506 2HG2 THR 506 -7.230 -3.781 -0.592 42 3HG2 THR 506 3HG2 THR 506 -8.107 -2.841 -1.799 43 H PHE 507 H PHE 507 -4.529 -0.140 -0.862 44 HA PHE 507 HA PHE 507 -4.984 0.139 2.040 45 1HB PHE 507 1HB PHE 507 -4.231 2.209 -0.054 46 2HB PHE 507 2HB PHE 507 -4.335 2.487 1.676 47 HD1 PHE 507 HD1 PHE 507 -2.655 1.510 3.175 48 HD2 PHE 507 HD2 PHE 507 -2.317 1.232 -1.047 49 HE1 PHE 507 HE1 PHE 507 -0.288 0.987 3.412 50 HE2 PHE 507 HE2 PHE 507 0.065 0.659 -0.830 51 HZ PHE 507 HZ PHE 507 1.088 0.535 1.401 52 H GLU 508 H GLU 508 -6.514 1.863 2.696 53 HA GLU 508 HA GLU 508 -8.661 1.924 0.786 54 1HB GLU 508 1HB GLU 508 -10.076 2.598 2.919 55 2HB GLU 508 2HB GLU 508 -9.677 0.926 2.548 56 1HG GLU 508 1HG GLU 508 -9.436 1.338 4.896 57 2HG GLU 508 2HG GLU 508 -7.893 0.961 4.171 58 H GLU 509 H GLU 509 -6.638 3.990 2.683 59 HA GLU 509 HA GLU 509 -7.822 6.230 1.237 60 1HB GLU 509 1HB GLU 509 -6.803 7.719 2.871 61 2HB GLU 509 2HB GLU 509 -7.669 6.463 3.731 62 1HG GLU 509 1HG GLU 509 -5.426 5.298 4.005 63 2HG GLU 509 2HG GLU 509 -4.710 6.789 3.389 64 HA PRO 510 HA PRO 510 -4.077 5.969 -1.241 65 1HB PRO 510 1HB PRO 510 -4.763 7.776 -3.113 66 2HB PRO 510 2HB PRO 510 -5.501 6.171 -3.061 67 1HG PRO 510 1HG PRO 510 -6.599 8.791 -2.143 68 2HG PRO 510 2HG PRO 510 -7.429 7.452 -2.949 69 1HD PRO 510 1HD PRO 510 -7.514 7.950 -0.226 70 2HD PRO 510 2HD PRO 510 -7.835 6.374 -0.977 71 H VAL 511 H VAL 511 -5.299 8.592 0.503 72 HA VAL 511 HA VAL 511 -2.718 9.975 0.496 73 HB VAL 511 HB VAL 511 -5.412 11.363 0.097 74 1HG1 VAL 511 1HG1 VAL 511 -4.126 12.588 1.702 75 2HG1 VAL 511 2HG1 VAL 511 -4.170 13.468 0.170 76 3HG1 VAL 511 3HG1 VAL 511 -2.726 12.562 0.640 77 1HG2 VAL 511 1HG2 VAL 511 -2.938 11.509 -1.595 78 2HG2 VAL 511 2HG2 VAL 511 -4.512 12.232 -1.940 79 3HG2 VAL 511 3HG2 VAL 511 -4.319 10.469 -1.945 80 H THR 512 H THR 512 -2.121 10.480 2.478 81 HA THR 512 HA THR 512 -4.185 10.736 4.485 82 HB THR 512 HB THR 512 -3.175 8.389 4.516 83 HG1 THR 512 HG1 THR 512 -4.083 8.810 6.282 84 1HG2 THR 512 1HG2 THR 512 -0.763 9.876 5.551 85 2HG2 THR 512 2HG2 THR 512 -0.874 9.003 4.020 86 3HG2 THR 512 3HG2 THR 512 -0.967 8.118 5.554 87 H HIS 513 H HIS 513 -3.618 12.179 6.140 88 HA HIS 513 HA HIS 513 -1.264 13.841 5.559 89 1HB HIS 513 1HB HIS 513 -3.924 14.580 6.800 90 2HB HIS 513 2HB HIS 513 -2.515 15.627 6.860 91 HD1 HIS 513 HD1 HIS 513 -2.513 17.344 5.087 92 HD2 HIS 513 HD2 HIS 513 -4.620 13.938 3.961 93 HE1 HIS 513 HE1 HIS 513 -3.422 17.782 2.743 94 H VAL 514 H VAL 514 0.153 14.233 7.183 95 HA VAL 514 HA VAL 514 -0.562 13.129 9.786 96 HB VAL 514 HB VAL 514 1.764 12.380 10.121 97 1HG1 VAL 514 1HG1 VAL 514 0.147 10.741 9.455 98 2HG1 VAL 514 2HG1 VAL 514 1.683 10.389 8.653 99 3HG1 VAL 514 3HG1 VAL 514 0.373 11.153 7.760 100 1HG2 VAL 514 1HG2 VAL 514 3.283 12.140 8.194 101 2HG2 VAL 514 2HG2 VAL 514 2.905 13.829 8.543 102 3HG2 VAL 514 3HG2 VAL 514 2.121 13.012 7.191 103 H SER 515 H SER 515 0.359 14.063 11.514 104 HA SER 515 HA SER 515 0.882 16.853 11.298 105 1HB SER 515 1HB SER 515 -0.347 15.870 13.209 106 2HB SER 515 2HB SER 515 1.059 14.910 13.619 107 HG SER 515 HG SER 515 0.695 16.934 14.802 108 H GLU 516 H GLU 516 2.885 17.818 11.601 109 HA GLU 516 HA GLU 516 5.211 16.275 11.032 110 1HB GLU 516 1HB GLU 516 4.779 18.688 10.418 111 2HB GLU 516 2HB GLU 516 5.067 19.079 12.098 112 1HG GLU 516 1HG GLU 516 7.319 18.199 11.948 113 2HG GLU 516 2HG GLU 516 7.028 17.750 10.271 114 H SER 517 H SER 517 3.445 16.668 13.786 115 HA SER 517 HA SER 517 5.772 16.426 15.528 116 1HB SER 517 1HB SER 517 4.221 18.409 15.843 117 2HB SER 517 2HB SER 517 2.956 17.266 16.276 118 HG SER 517 HG SER 517 5.245 18.054 17.640 119 H ILE 518 H ILE 518 4.293 14.395 13.847 120 HA ILE 518 HA ILE 518 3.128 12.685 15.907 121 HB ILE 518 HB ILE 518 2.037 12.988 13.599 122 1HG1 ILE 518 1HG1 ILE 518 2.722 10.163 14.396 123 2HG1 ILE 518 2HG1 ILE 518 1.514 11.157 15.210 124 1HG2 ILE 518 1HG2 ILE 518 4.045 12.819 12.215 125 2HG2 ILE 518 2HG2 ILE 518 2.901 11.542 11.793 126 3HG2 ILE 518 3HG2 ILE 518 4.312 11.170 12.782 127 1HD1 ILE 518 1HD1 ILE 518 0.323 11.364 13.165 128 2HD1 ILE 518 2HD1 ILE 518 0.480 9.656 13.653 129 3HD1 ILE 518 3HD1 ILE 518 1.489 10.329 12.345 130 H GLY 519 H GLY 519 3.915 10.515 16.179 131 1HA GLY 519 1HA GLY 519 6.779 10.327 15.655 132 2HA GLY 519 2HA GLY 519 5.876 9.429 16.880 133 H ILE 520 H ILE 520 4.121 8.028 15.961 134 HA ILE 520 HA ILE 520 5.205 6.628 13.616 135 HB ILE 520 HB ILE 520 3.955 5.474 16.112 136 1HG1 ILE 520 1HG1 ILE 520 6.361 5.950 16.264 137 2HG1 ILE 520 2HG1 ILE 520 6.043 4.218 16.309 138 1HG2 ILE 520 1HG2 ILE 520 3.009 4.320 14.194 139 2HG2 ILE 520 2HG2 ILE 520 4.103 3.253 15.076 140 3HG2 ILE 520 3HG2 ILE 520 4.623 4.004 13.564 141 1HD1 ILE 520 1HD1 ILE 520 6.655 4.081 13.923 142 2HD1 ILE 520 2HD1 ILE 520 7.974 4.661 14.942 143 3HD1 ILE 520 3HD1 ILE 520 7.055 5.796 13.956 144 H MET 521 H MET 521 3.928 6.913 11.975 145 HA MET 521 HA MET 521 1.030 7.017 12.427 146 1HB MET 521 1HB MET 521 0.784 7.619 10.073 147 2HB MET 521 2HB MET 521 1.976 8.677 10.801 148 1HG MET 521 1HG MET 521 3.758 7.487 9.750 149 2HG MET 521 2HG MET 521 2.649 6.247 9.161 150 1HE MET 521 1HE MET 521 3.557 6.539 6.695 151 2HE MET 521 2HE MET 521 4.694 7.782 7.245 152 3HE MET 521 3HE MET 521 3.640 8.094 5.865 153 H GLU 522 H GLU 522 -0.289 5.462 11.878 154 HA GLU 522 HA GLU 522 0.863 3.054 10.678 155 1HB GLU 522 1HB GLU 522 -1.042 3.314 12.956 156 2HB GLU 522 2HB GLU 522 -0.867 1.827 12.043 157 1HG GLU 522 1HG GLU 522 1.409 1.623 12.663 158 2HG GLU 522 2HG GLU 522 1.400 3.204 13.446 159 H VAL 523 H VAL 523 0.064 2.744 8.864 160 HA VAL 523 HA VAL 523 -2.657 3.634 8.201 161 HB VAL 523 HB VAL 523 -0.501 2.715 6.295 162 1HG1 VAL 523 1HG1 VAL 523 -2.751 2.671 5.370 163 2HG1 VAL 523 2HG1 VAL 523 -1.789 3.936 4.605 164 3HG1 VAL 523 3HG1 VAL 523 -2.985 4.357 5.828 165 1HG2 VAL 523 1HG2 VAL 523 0.307 4.607 7.591 166 2HG2 VAL 523 2HG2 VAL 523 -1.110 5.559 7.106 167 3HG2 VAL 523 3HG2 VAL 523 0.065 5.017 5.900 168 H LYS 524 H LYS 524 -4.142 2.183 7.494 169 HA LYS 524 HA LYS 524 -3.639 -0.570 8.196 170 1HB LYS 524 1HB LYS 524 -6.105 0.958 7.480 171 2HB LYS 524 2HB LYS 524 -6.101 -0.787 7.646 172 1HG LYS 524 1HG LYS 524 -5.243 1.110 9.790 173 2HG LYS 524 2HG LYS 524 -6.879 0.430 9.672 174 1HD LYS 524 1HD LYS 524 -5.704 -1.833 9.672 175 2HD LYS 524 2HD LYS 524 -4.264 -0.963 10.191 176 1HE LYS 524 1HE LYS 524 -5.437 -1.898 12.089 177 2HE LYS 524 2HE LYS 524 -5.487 -0.132 12.152 178 1HZ LYS 524 1HZ LYS 524 -7.616 -1.162 12.688 179 2HZ LYS 524 2HZ LYS 524 -7.664 -1.904 11.185 180 3HZ LYS 524 3HZ LYS 524 -7.767 -0.235 11.282 181 H VAL 525 H VAL 525 -3.832 -2.249 6.924 182 HA VAL 525 HA VAL 525 -4.180 -1.795 4.038 183 HB VAL 525 HB VAL 525 -2.605 -4.076 5.210 184 1HG1 VAL 525 1HG1 VAL 525 -3.359 -4.362 2.921 185 2HG1 VAL 525 2HG1 VAL 525 -1.601 -4.179 2.957 186 3HG1 VAL 525 3HG1 VAL 525 -2.623 -2.822 2.477 187 1HG2 VAL 525 1HG2 VAL 525 -1.477 -1.437 4.314 188 2HG2 VAL 525 2HG2 VAL 525 -0.533 -2.875 4.723 189 3HG2 VAL 525 3HG2 VAL 525 -1.511 -2.074 5.958 190 H LEU 526 H LEU 526 -5.732 -3.026 3.170 191 HA LEU 526 HA LEU 526 -7.364 -4.529 4.992 192 1HB LEU 526 1HB LEU 526 -7.713 -4.102 2.006 193 2HB LEU 526 2HB LEU 526 -8.883 -4.862 3.059 194 HG LEU 526 HG LEU 526 -9.694 -2.650 2.638 195 1HD1 LEU 526 1HD1 LEU 526 -9.746 -1.570 4.761 196 2HD1 LEU 526 2HD1 LEU 526 -8.455 -2.616 5.350 197 3HD1 LEU 526 3HD1 LEU 526 -10.018 -3.306 4.901 198 1HD2 LEU 526 1HD2 LEU 526 -8.426 -0.637 2.998 199 2HD2 LEU 526 2HD2 LEU 526 -7.629 -1.659 1.804 200 3HD2 LEU 526 3HD2 LEU 526 -7.011 -1.577 3.453 201 H ARG 527 H ARG 527 -7.746 -6.724 4.954 202 HA ARG 527 HA ARG 527 -5.523 -8.205 3.791 203 1HB ARG 527 1HB ARG 527 -6.033 -8.262 6.289 204 2HB ARG 527 2HB ARG 527 -7.472 -9.180 5.896 205 1HG ARG 527 1HG ARG 527 -4.769 -10.135 5.028 206 2HG ARG 527 2HG ARG 527 -5.285 -10.431 6.667 207 1HD ARG 527 1HD ARG 527 -6.595 -11.364 4.120 208 2HD ARG 527 2HD ARG 527 -5.664 -12.349 5.242 209 HE ARG 527 HE ARG 527 -8.308 -11.174 5.760 210 1HH1 ARG 527 1HH1 ARG 527 -5.811 -13.516 6.809 211 2HH1 ARG 527 2HH1 ARG 527 -6.940 -14.559 7.533 212 1HH2 ARG 527 1HH2 ARG 527 -9.814 -12.644 6.801 213 2HH2 ARG 527 2HH2 ARG 527 -9.227 -14.052 7.560 214 H THR 528 H THR 528 -5.793 -9.697 2.370 215 HA THR 528 HA THR 528 -7.787 -9.736 0.551 216 HB THR 528 HB THR 528 -5.639 -10.576 0.043 217 HG1 THR 528 HG1 THR 528 -6.618 -12.992 -0.407 218 1HG2 THR 528 1HG2 THR 528 -6.193 -12.842 1.962 219 2HG2 THR 528 2HG2 THR 528 -5.019 -11.546 2.201 220 3HG2 THR 528 3HG2 THR 528 -4.785 -12.724 0.907 221 H SER 529 H SER 529 -9.495 -10.944 0.019 222 HA SER 529 HA SER 529 -11.115 -12.203 1.906 223 1HB SER 529 1HB SER 529 -11.882 -11.213 -0.265 224 2HB SER 529 2HB SER 529 -11.030 -12.504 -1.105 225 HG SER 529 HG SER 529 -12.553 -13.766 0.550 226 H GLY 530 H GLY 530 -9.132 -13.537 -0.761 227 1HA GLY 530 1HA GLY 530 -9.310 -16.178 0.358 228 2HA GLY 530 2HA GLY 530 -8.498 -15.710 -1.139 229 H ALA 531 H ALA 531 -8.214 -16.124 2.224 230 HA ALA 531 HA ALA 531 -5.397 -15.343 2.065 231 1HB ALA 531 1HB ALA 531 -7.131 -15.541 4.525 232 2HB ALA 531 2HB ALA 531 -6.730 -14.045 3.686 233 3HB ALA 531 3HB ALA 531 -5.462 -14.978 4.467 234 H ARG 532 H ARG 532 -4.434 -17.184 1.442 235 HA ARG 532 HA ARG 532 -4.710 -19.464 3.245 236 1HB ARG 532 1HB ARG 532 -4.195 -19.490 0.263 237 2HB ARG 532 2HB ARG 532 -4.122 -20.896 1.310 238 1HG ARG 532 1HG ARG 532 -6.570 -19.236 0.747 239 2HG ARG 532 2HG ARG 532 -6.206 -20.826 0.073 240 1HD ARG 532 1HD ARG 532 -6.175 -21.740 2.360 241 2HD ARG 532 2HD ARG 532 -6.643 -20.162 2.975 242 HE ARG 532 HE ARG 532 -8.540 -20.616 1.176 243 1HH1 ARG 532 1HH1 ARG 532 -7.371 -22.569 3.916 244 2HH1 ARG 532 2HH1 ARG 532 -8.842 -23.386 4.138 245 1HH2 ARG 532 1HH2 ARG 532 -10.581 -21.737 1.530 246 2HH2 ARG 532 2HH2 ARG 532 -10.698 -22.907 2.767 247 H GLY 533 H GLY 533 -2.875 -20.069 4.162 248 1HA GLY 533 1HA GLY 533 -0.629 -20.546 4.304 249 2HA GLY 533 2HA GLY 533 -0.408 -19.758 2.761 250 H ASN 534 H ASN 534 1.305 -18.605 3.318 251 HA ASN 534 HA ASN 534 0.810 -16.273 4.975 252 1HB ASN 534 1HB ASN 534 2.010 -17.883 6.387 253 2HB ASN 534 2HB ASN 534 3.243 -18.062 5.162 254 1HD2 ASN 534 1HD2 ASN 534 1.865 -14.869 5.983 255 2HD2 ASN 534 2HD2 ASN 534 3.313 -14.313 6.722 256 H VAL 535 H VAL 535 1.271 -14.561 3.791 257 HA VAL 535 HA VAL 535 3.262 -14.843 1.682 258 HB VAL 535 HB VAL 535 0.627 -13.328 1.458 259 1HG1 VAL 535 1HG1 VAL 535 2.813 -13.790 -0.545 260 2HG1 VAL 535 2HG1 VAL 535 2.481 -12.248 0.260 261 3HG1 VAL 535 3HG1 VAL 535 1.294 -12.948 -0.856 262 1HG2 VAL 535 1HG2 VAL 535 1.620 -15.787 0.106 263 2HG2 VAL 535 2HG2 VAL 535 0.130 -14.941 -0.325 264 3HG2 VAL 535 3HG2 VAL 535 0.285 -15.727 1.264 265 H ILE 536 H ILE 536 4.709 -13.299 1.684 266 HA ILE 536 HA ILE 536 4.425 -11.178 3.656 267 HB ILE 536 HB ILE 536 6.832 -12.121 2.082 268 1HG1 ILE 536 1HG1 ILE 536 6.222 -13.698 3.780 269 2HG1 ILE 536 2HG1 ILE 536 7.683 -12.851 4.280 270 1HG2 ILE 536 1HG2 ILE 536 6.671 -10.015 4.197 271 2HG2 ILE 536 2HG2 ILE 536 7.021 -9.754 2.484 272 3HG2 ILE 536 3HG2 ILE 536 8.160 -10.642 3.496 273 1HD1 ILE 536 1HD1 ILE 536 4.888 -12.380 5.234 274 2HD1 ILE 536 2HD1 ILE 536 6.267 -11.389 5.676 275 3HD1 ILE 536 3HD1 ILE 536 6.213 -13.097 6.161 276 H VAL 537 H VAL 537 4.109 -9.190 3.102 277 HA VAL 537 HA VAL 537 4.155 -8.570 0.253 278 HB VAL 537 HB VAL 537 2.413 -7.302 2.398 279 1HG1 VAL 537 1HG1 VAL 537 2.493 -6.774 -0.577 280 2HG1 VAL 537 2HG1 VAL 537 3.042 -5.668 0.677 281 3HG1 VAL 537 3HG1 VAL 537 1.333 -6.086 0.557 282 1HG2 VAL 537 1HG2 VAL 537 0.549 -8.349 1.195 283 2HG2 VAL 537 2HG2 VAL 537 1.698 -9.565 1.763 284 3HG2 VAL 537 3HG2 VAL 537 1.685 -9.086 0.069 285 HA PRO 538 HA PRO 538 7.450 -5.832 1.739 286 1HB PRO 538 1HB PRO 538 7.957 -5.270 -1.049 287 2HB PRO 538 2HB PRO 538 8.975 -6.158 0.086 288 1HG PRO 538 1HG PRO 538 7.696 -7.301 -2.038 289 2HG PRO 538 2HG PRO 538 8.138 -8.174 -0.554 290 1HD PRO 538 1HD PRO 538 5.493 -7.111 -1.423 291 2HD PRO 538 2HD PRO 538 5.912 -8.600 -0.541 292 H TYR 539 H TYR 539 7.789 -3.610 1.702 293 HA TYR 539 HA TYR 539 6.160 -1.949 0.010 294 1HB TYR 539 1HB TYR 539 5.189 -0.668 1.852 295 2HB TYR 539 2HB TYR 539 4.693 -2.345 1.994 296 HD1 TYR 539 HD1 TYR 539 5.387 -3.675 3.876 297 HD2 TYR 539 HD2 TYR 539 6.824 0.291 3.434 298 HE1 TYR 539 HE1 TYR 539 6.236 -3.723 6.184 299 HE2 TYR 539 HE2 TYR 539 7.674 0.260 5.715 300 HH TYR 539 HH TYR 539 7.548 -0.865 7.717 301 H LYS 540 H LYS 540 6.916 0.208 0.042 302 HA LYS 540 HA LYS 540 9.165 0.815 1.660 303 1HB LYS 540 1HB LYS 540 10.744 1.338 -0.181 304 2HB LYS 540 2HB LYS 540 10.425 -0.364 0.029 305 1HG LYS 540 1HG LYS 540 10.593 0.052 -2.294 306 2HG LYS 540 2HG LYS 540 8.882 -0.194 -1.953 307 1HD LYS 540 1HD LYS 540 8.414 2.107 -2.155 308 2HD LYS 540 2HD LYS 540 10.119 2.540 -2.061 309 1HE LYS 540 1HE LYS 540 9.342 2.760 -4.316 310 2HE LYS 540 2HE LYS 540 10.510 1.444 -4.165 311 1HZ LYS 540 1HZ LYS 540 7.538 1.076 -4.419 312 2HZ LYS 540 2HZ LYS 540 8.679 -0.143 -4.255 313 3HZ LYS 540 3HZ LYS 540 8.698 0.852 -5.598 314 H THR 541 H THR 541 9.738 2.923 1.837 315 HA THR 541 HA THR 541 7.680 4.761 1.142 316 HB THR 541 HB THR 541 9.359 6.305 2.363 317 HG1 THR 541 HG1 THR 541 11.250 5.054 2.413 318 1HG2 THR 541 1HG2 THR 541 7.305 5.473 3.415 319 2HG2 THR 541 2HG2 THR 541 8.644 5.444 4.571 320 3HG2 THR 541 3HG2 THR 541 8.115 3.955 3.806 321 H ILE 542 H ILE 542 7.698 5.845 -0.712 322 HA ILE 542 HA ILE 542 10.178 6.266 -2.185 323 HB ILE 542 HB ILE 542 7.347 7.175 -2.847 324 1HG1 ILE 542 1HG1 ILE 542 7.621 5.520 -4.821 325 2HG1 ILE 542 2HG1 ILE 542 8.930 4.827 -3.872 326 1HG2 ILE 542 1HG2 ILE 542 8.968 8.677 -3.829 327 2HG2 ILE 542 2HG2 ILE 542 8.175 7.732 -5.087 328 3HG2 ILE 542 3HG2 ILE 542 9.811 7.316 -4.575 329 1HD1 ILE 542 1HD1 ILE 542 6.864 3.588 -3.603 330 2HD1 ILE 542 2HD1 ILE 542 6.056 5.052 -3.030 331 3HD1 ILE 542 3HD1 ILE 542 7.357 4.332 -2.079 332 H GLU 543 H GLU 543 11.326 8.001 -1.821 333 HA GLU 543 HA GLU 543 10.938 9.751 0.280 334 1HB GLU 543 1HB GLU 543 12.634 10.094 -2.184 335 2HB GLU 543 2HB GLU 543 12.804 11.027 -0.701 336 1HG GLU 543 1HG GLU 543 13.421 9.082 0.534 337 2HG GLU 543 2HG GLU 543 13.059 8.033 -0.835 338 H GLY 544 H GLY 544 10.275 10.272 -3.116 339 1HA GLY 544 1HA GLY 544 8.781 11.674 -4.149 340 2HA GLY 544 2HA GLY 544 8.193 12.151 -2.557 341 H THR 545 H THR 545 9.075 13.830 -1.547 342 HA THR 545 HA THR 545 11.295 15.228 -2.745 343 HB THR 545 HB THR 545 9.404 16.219 -3.932 344 HG1 THR 545 HG1 THR 545 10.517 17.910 -1.946 345 1HG2 THR 545 1HG2 THR 545 8.298 16.889 -1.210 346 2HG2 THR 545 2HG2 THR 545 7.610 15.734 -2.352 347 3HG2 THR 545 3HG2 THR 545 7.630 17.459 -2.738 348 H ALA 546 H ALA 546 10.451 13.770 -0.194 349 HA ALA 546 HA ALA 546 11.075 15.910 1.712 350 1HB ALA 546 1HB ALA 546 10.061 13.084 2.143 351 2HB ALA 546 2HB ALA 546 9.144 14.589 2.355 352 3HB ALA 546 3HB ALA 546 10.469 14.204 3.440 353 H ARG 547 H ARG 547 12.796 15.334 3.348 354 HA ARG 547 HA ARG 547 15.105 14.495 2.008 355 1HB ARG 547 1HB ARG 547 14.583 14.966 4.903 356 2HB ARG 547 2HB ARG 547 16.136 14.422 4.303 357 1HG ARG 547 1HG ARG 547 14.745 17.001 3.676 358 2HG ARG 547 2HG ARG 547 16.215 16.725 4.636 359 1HD ARG 547 1HD ARG 547 15.865 16.375 1.680 360 2HD ARG 547 2HD ARG 547 16.886 17.522 2.574 361 HE ARG 547 HE ARG 547 18.031 15.403 3.417 362 1HH1 ARG 547 1HH1 ARG 547 16.706 15.710 0.114 363 2HH1 ARG 547 2HH1 ARG 547 17.827 14.609 -0.551 364 1HH2 ARG 547 1HH2 ARG 547 19.560 13.932 2.411 365 2HH2 ARG 547 2HH2 ARG 547 19.471 13.630 0.739 366 H GLY 548 H GLY 548 16.628 13.015 3.168 367 1HA GLY 548 1HA GLY 548 15.653 10.409 2.533 368 2HA GLY 548 2HA GLY 548 17.272 10.790 3.079 369 H GLY 549 H GLY 549 16.661 8.597 3.997 370 1HA GLY 549 1HA GLY 549 14.845 8.245 6.077 371 2HA GLY 549 2HA GLY 549 16.253 7.249 5.753 372 H GLY 550 H GLY 550 14.796 9.094 7.950 373 1HA GLY 550 1HA GLY 550 15.597 9.295 10.171 374 2HA GLY 550 2HA GLY 550 17.244 9.256 9.557 375 H GLU 551 H GLU 551 15.937 11.226 7.455 376 HA GLU 551 HA GLU 551 16.579 13.525 9.098 377 1HB GLU 551 1HB GLU 551 17.962 13.183 7.064 378 2HB GLU 551 2HB GLU 551 16.524 13.276 6.070 379 1HG GLU 551 1HG GLU 551 16.339 15.583 6.337 380 2HG GLU 551 2HG GLU 551 17.352 15.609 7.799 381 H ASP 552 H ASP 552 14.280 12.994 6.355 382 HA ASP 552 HA ASP 552 12.408 14.603 7.952 383 1HB ASP 552 1HB ASP 552 12.499 13.998 5.058 384 2HB ASP 552 2HB ASP 552 10.893 14.076 5.773 385 H PHE 553 H PHE 553 12.724 11.416 6.650 386 HA PHE 553 HA PHE 553 10.705 10.575 8.541 387 1HB PHE 553 1HB PHE 553 9.436 9.327 6.890 388 2HB PHE 553 2HB PHE 553 9.558 10.986 6.373 389 HD1 PHE 553 HD1 PHE 553 10.461 7.569 5.669 390 HD2 PHE 553 HD2 PHE 553 10.913 11.591 4.436 391 HE1 PHE 553 HE1 PHE 553 11.246 6.796 3.454 392 HE2 PHE 553 HE2 PHE 553 11.708 10.837 2.227 393 HZ PHE 553 HZ PHE 553 11.871 8.423 1.746 394 H GLU 554 H GLU 554 10.924 8.333 9.015 395 HA GLU 554 HA GLU 554 13.585 7.327 8.552 396 1HB GLU 554 1HB GLU 554 12.204 7.205 10.720 397 2HB GLU 554 2HB GLU 554 11.230 6.007 9.920 398 1HG GLU 554 1HG GLU 554 14.180 5.781 10.480 399 2HG GLU 554 2HG GLU 554 12.906 5.089 11.467 400 H ASP 555 H ASP 555 14.003 6.122 6.815 401 HA ASP 555 HA ASP 555 11.923 5.589 4.923 402 1HB ASP 555 1HB ASP 555 14.136 6.338 4.171 403 2HB ASP 555 2HB ASP 555 14.869 4.885 4.823 404 H THR 556 H THR 556 10.619 4.016 5.314 405 HA THR 556 HA THR 556 11.791 1.636 6.410 406 HB THR 556 HB THR 556 10.116 2.574 7.885 407 HG1 THR 556 HG1 THR 556 10.284 0.356 7.825 408 1HG2 THR 556 1HG2 THR 556 8.677 3.766 6.411 409 2HG2 THR 556 2HG2 THR 556 7.714 2.540 7.254 410 3HG2 THR 556 3HG2 THR 556 8.210 2.286 5.574 411 H CYS 557 H CYS 557 12.438 0.486 4.879 412 HA CYS 557 HA CYS 557 10.483 -0.365 2.923 413 1HB CYS 557 1HB CYS 557 12.617 -1.061 1.642 414 2HB CYS 557 2HB CYS 557 12.125 0.626 1.616 415 HG CYS 557 HG CYS 557 14.120 1.633 2.879 416 H GLY 558 H GLY 558 9.626 -2.036 3.864 417 1HA GLY 558 1HA GLY 558 11.348 -4.192 4.683 418 2HA GLY 558 2HA GLY 558 10.235 -3.521 5.872 419 H GLU 559 H GLU 559 9.136 -5.500 5.951 420 HA GLU 559 HA GLU 559 7.345 -5.922 3.708 421 1HB GLU 559 1HB GLU 559 9.258 -7.931 4.840 422 2HB GLU 559 2HB GLU 559 7.859 -8.383 3.862 423 1HG GLU 559 1HG GLU 559 8.752 -7.272 1.964 424 2HG GLU 559 2HG GLU 559 10.050 -6.529 2.905 425 H LEU 560 H LEU 560 5.370 -6.593 4.301 426 HA LEU 560 HA LEU 560 4.767 -6.848 7.160 427 1HB LEU 560 1HB LEU 560 2.989 -6.466 4.754 428 2HB LEU 560 2HB LEU 560 2.418 -6.592 6.401 429 HG LEU 560 HG LEU 560 4.185 -4.383 5.357 430 1HD1 LEU 560 1HD1 LEU 560 1.997 -4.304 4.331 431 2HD1 LEU 560 2HD1 LEU 560 2.170 -3.007 5.517 432 3HD1 LEU 560 3HD1 LEU 560 1.228 -4.443 5.912 433 1HD2 LEU 560 1HD2 LEU 560 2.718 -4.693 7.980 434 2HD2 LEU 560 2HD2 LEU 560 3.591 -3.262 7.450 435 3HD2 LEU 560 3HD2 LEU 560 4.469 -4.762 7.755 436 H GLU 561 H GLU 561 3.671 -8.648 7.968 437 HA GLU 561 HA GLU 561 3.811 -10.989 6.244 438 1HB GLU 561 1HB GLU 561 5.117 -10.969 8.363 439 2HB GLU 561 2HB GLU 561 3.617 -10.804 9.252 440 1HG GLU 561 1HG GLU 561 2.888 -12.991 8.452 441 2HG GLU 561 2HG GLU 561 4.371 -13.129 7.505 442 H PHE 562 H PHE 562 1.914 -11.487 5.309 443 HA PHE 562 HA PHE 562 -0.524 -11.176 6.901 444 1HB PHE 562 1HB PHE 562 -0.018 -11.135 3.962 445 2HB PHE 562 2HB PHE 562 -1.577 -11.669 4.562 446 HD1 PHE 562 HD1 PHE 562 0.454 -8.868 3.712 447 HD2 PHE 562 HD2 PHE 562 -2.853 -10.116 6.072 448 HE1 PHE 562 HE1 PHE 562 -0.363 -6.551 3.775 449 HE2 PHE 562 HE2 PHE 562 -3.682 -7.800 6.140 450 HZ PHE 562 HZ PHE 562 -2.443 -6.018 4.987 451 H GLN 563 H GLN 563 -1.644 -12.940 7.473 452 HA GLN 563 HA GLN 563 -0.740 -15.426 6.221 453 1HB GLN 563 1HB GLN 563 -1.596 -15.083 9.090 454 2HB GLN 563 2HB GLN 563 -1.105 -16.588 8.327 455 1HG GLN 563 1HG GLN 563 1.107 -15.639 7.923 456 2HG GLN 563 2HG GLN 563 0.594 -14.161 8.742 457 1HE2 GLN 563 1HE2 GLN 563 1.490 -17.491 9.136 458 2HE2 GLN 563 2HE2 GLN 563 1.663 -17.437 10.840 459 H ASN 564 H ASN 564 -2.287 -17.187 6.666 460 HA ASN 564 HA ASN 564 -4.783 -16.703 5.519 461 1HB ASN 564 1HB ASN 564 -5.228 -19.079 6.082 462 2HB ASN 564 2HB ASN 564 -3.661 -18.857 5.322 463 1HD2 ASN 564 1HD2 ASN 564 -4.627 -21.036 6.956 464 2HD2 ASN 564 2HD2 ASN 564 -3.551 -21.152 8.305 465 H ASP 565 H ASP 565 -3.715 -17.109 8.788 466 HA ASP 565 HA ASP 565 -6.429 -16.769 9.823 467 1HB ASP 565 1HB ASP 565 -5.129 -18.502 10.889 468 2HB ASP 565 2HB ASP 565 -3.846 -17.360 11.271 469 H GLU 566 H GLU 566 -3.441 -14.988 9.668 470 HA GLU 566 HA GLU 566 -4.317 -13.024 11.554 471 1HB GLU 566 1HB GLU 566 -1.904 -13.526 11.346 472 2HB GLU 566 2HB GLU 566 -1.951 -12.932 9.684 473 1HG GLU 566 1HG GLU 566 -2.224 -10.747 10.307 474 2HG GLU 566 2HG GLU 566 -2.814 -11.164 11.903 475 H ILE 567 H ILE 567 -5.303 -11.104 11.218 476 HA ILE 567 HA ILE 567 -5.857 -10.477 8.435 477 HB ILE 567 HB ILE 567 -7.840 -9.280 9.103 478 1HG1 ILE 567 1HG1 ILE 567 -7.620 -10.227 11.929 479 2HG1 ILE 567 2HG1 ILE 567 -6.758 -8.766 11.452 480 1HG2 ILE 567 1HG2 ILE 567 -7.751 -12.008 10.357 481 2HG2 ILE 567 2HG2 ILE 567 -8.043 -11.640 8.660 482 3HG2 ILE 567 3HG2 ILE 567 -9.220 -11.139 9.885 483 1HD1 ILE 567 1HD1 ILE 567 -9.712 -9.241 11.158 484 2HD1 ILE 567 2HD1 ILE 567 -8.793 -7.810 10.660 485 3HD1 ILE 567 3HD1 ILE 567 -8.922 -8.215 12.377 486 H VAL 568 H VAL 568 -6.219 -8.215 8.071 487 HA VAL 568 HA VAL 568 -5.236 -6.246 7.615 488 HB VAL 568 HB VAL 568 -6.834 -6.032 9.653 489 1HG1 VAL 568 1HG1 VAL 568 -5.911 -4.931 11.622 490 2HG1 VAL 568 2HG1 VAL 568 -4.294 -5.247 11.005 491 3HG1 VAL 568 3HG1 VAL 568 -5.353 -6.600 11.423 492 1HG2 VAL 568 1HG2 VAL 568 -6.584 -3.607 9.682 493 2HG2 VAL 568 2HG2 VAL 568 -6.423 -4.242 8.038 494 3HG2 VAL 568 3HG2 VAL 568 -4.994 -3.749 8.931 495 H LYS 569 H LYS 569 -3.544 -4.525 8.228 496 HA LYS 569 HA LYS 569 -1.322 -5.295 9.807 497 1HB LYS 569 1HB LYS 569 -1.050 -5.145 6.798 498 2HB LYS 569 2HB LYS 569 0.290 -4.742 7.845 499 1HG LYS 569 1HG LYS 569 -1.053 -7.424 8.014 500 2HG LYS 569 2HG LYS 569 0.159 -7.097 6.787 501 1HD LYS 569 1HD LYS 569 1.254 -8.171 8.600 502 2HD LYS 569 2HD LYS 569 1.738 -6.493 8.619 503 1HE LYS 569 1HE LYS 569 1.353 -7.354 10.866 504 2HE LYS 569 2HE LYS 569 0.194 -6.095 10.518 505 1HZ LYS 569 1HZ LYS 569 -1.441 -7.925 10.012 506 2HZ LYS 569 2HZ LYS 569 -0.870 -7.918 11.597 507 3HZ LYS 569 3HZ LYS 569 -0.265 -9.046 10.527 508 H THR 570 H THR 570 0.249 -3.515 9.852 509 HA THR 570 HA THR 570 -0.846 -0.957 8.960 510 HB THR 570 HB THR 570 0.151 -0.047 11.193 511 HG1 THR 570 HG1 THR 570 0.103 -1.453 12.890 512 1HG2 THR 570 1HG2 THR 570 -1.985 -0.322 12.354 513 2HG2 THR 570 2HG2 THR 570 -2.448 -1.594 11.214 514 3HG2 THR 570 3HG2 THR 570 -2.229 0.069 10.653 515 H ILE 571 H ILE 571 0.666 0.317 8.030 516 HA ILE 571 HA ILE 571 3.441 -0.532 8.319 517 HB ILE 571 HB ILE 571 2.343 1.706 6.546 518 1HG1 ILE 571 1HG1 ILE 571 3.160 0.208 4.653 519 2HG1 ILE 571 2HG1 ILE 571 3.275 -1.079 5.842 520 1HG2 ILE 571 1HG2 ILE 571 4.609 2.137 7.293 521 2HG2 ILE 571 2HG2 ILE 571 4.560 1.802 5.562 522 3HG2 ILE 571 3HG2 ILE 571 5.123 0.563 6.686 523 1HD1 ILE 571 1HD1 ILE 571 1.249 -1.187 4.525 524 2HD1 ILE 571 2HD1 ILE 571 0.779 0.411 5.126 525 3HD1 ILE 571 3HD1 ILE 571 0.926 -0.953 6.240 526 H SER 572 H SER 572 4.274 0.152 10.144 527 HA SER 572 HA SER 572 3.523 2.709 11.222 528 1HB SER 572 1HB SER 572 5.106 1.921 13.064 529 2HB SER 572 2HB SER 572 3.654 0.946 12.810 530 HG SER 572 HG SER 572 6.224 0.414 11.732 531 H VAL 573 H VAL 573 4.499 4.433 10.510 532 HA VAL 573 HA VAL 573 7.309 4.226 9.655 533 HB VAL 573 HB VAL 573 5.287 6.273 8.714 534 1HG1 VAL 573 1HG1 VAL 573 7.560 7.103 8.627 535 2HG1 VAL 573 2HG1 VAL 573 6.955 6.827 6.995 536 3HG1 VAL 573 3HG1 VAL 573 8.075 5.678 7.724 537 1HG2 VAL 573 1HG2 VAL 573 6.293 3.824 7.278 538 2HG2 VAL 573 2HG2 VAL 573 5.321 5.099 6.549 539 3HG2 VAL 573 3HG2 VAL 573 4.649 4.116 7.852 540 H LYS 574 H LYS 574 8.688 5.434 10.706 541 HA LYS 574 HA LYS 574 7.719 7.262 12.716 542 1HB LYS 574 1HB LYS 574 9.459 5.754 13.436 543 2HB LYS 574 2HB LYS 574 10.471 6.186 12.075 544 1HG LYS 574 1HG LYS 574 11.270 7.158 14.172 545 2HG LYS 574 2HG LYS 574 10.830 8.390 12.993 546 1HD LYS 574 1HD LYS 574 8.704 8.745 14.165 547 2HD LYS 574 2HD LYS 574 9.140 7.504 15.341 548 1HE LYS 574 1HE LYS 574 11.056 8.800 16.046 549 2HE LYS 574 2HE LYS 574 10.729 10.010 14.808 550 1HZ LYS 574 1HZ LYS 574 8.925 9.401 17.110 551 2HZ LYS 574 2HZ LYS 574 8.748 10.666 15.974 552 3HZ LYS 574 3HZ LYS 574 10.027 10.664 17.018 553 H VAL 575 H VAL 575 7.275 9.177 12.161 554 HA VAL 575 HA VAL 575 8.592 10.468 9.923 555 HB VAL 575 HB VAL 575 6.450 11.522 11.823 556 1HG1 VAL 575 1HG1 VAL 575 7.719 13.338 10.788 557 2HG1 VAL 575 2HG1 VAL 575 6.080 13.276 10.142 558 3HG1 VAL 575 3HG1 VAL 575 7.426 12.649 9.192 559 1HG2 VAL 575 1HG2 VAL 575 5.631 9.636 10.518 560 2HG2 VAL 575 2HG2 VAL 575 6.185 10.400 9.031 561 3HG2 VAL 575 3HG2 VAL 575 4.881 11.135 9.964 562 H ILE 576 H ILE 576 10.134 12.050 10.188 563 HA ILE 576 HA ILE 576 11.237 12.164 12.886 564 HB ILE 576 HB ILE 576 12.570 12.960 10.265 565 1HG1 ILE 576 1HG1 ILE 576 11.924 10.585 10.167 566 2HG1 ILE 576 2HG1 ILE 576 13.664 10.736 10.230 567 1HG2 ILE 576 1HG2 ILE 576 14.665 12.639 11.519 568 2HG2 ILE 576 2HG2 ILE 576 13.727 12.284 12.971 569 3HG2 ILE 576 3HG2 ILE 576 13.644 13.887 12.238 570 1HD1 ILE 576 1HD1 ILE 576 13.623 10.143 12.573 571 2HD1 ILE 576 2HD1 ILE 576 12.800 8.910 11.581 572 3HD1 ILE 576 3HD1 ILE 576 11.863 10.087 12.520 573 H ASP 577 H ASP 577 12.109 14.282 13.517 574 HA ASP 577 HA ASP 577 10.144 16.323 13.050 575 1HB ASP 577 1HB ASP 577 12.744 16.449 14.604 576 2HB ASP 577 2HB ASP 577 11.621 17.792 14.482 577 H ASP 578 H ASP 578 10.034 17.509 11.414 578 HA ASP 578 HA ASP 578 11.822 17.643 9.279 579 1HB ASP 578 1HB ASP 578 9.314 18.191 9.308 580 2HB ASP 578 2HB ASP 578 9.820 19.767 9.911 581 H GLU 579 H GLU 579 13.161 19.151 8.545 582 HA GLU 579 HA GLU 579 14.384 20.934 10.529 583 1HB GLU 579 1HB GLU 579 16.531 20.180 9.694 584 2HB GLU 579 2HB GLU 579 15.595 18.823 10.299 585 1HG GLU 579 1HG GLU 579 16.103 19.541 7.389 586 2HG GLU 579 2HG GLU 579 16.803 18.194 8.266 587 H GLU 580 H GLU 580 13.432 20.416 7.195 588 HA GLU 580 HA GLU 580 14.784 22.874 6.563 589 1HB GLU 580 1HB GLU 580 14.891 22.034 4.100 590 2HB GLU 580 2HB GLU 580 16.051 21.507 5.300 591 1HG GLU 580 1HG GLU 580 15.430 19.679 3.843 592 2HG GLU 580 2HG GLU 580 14.917 19.364 5.487 593 H TYR 581 H TYR 581 14.045 23.778 4.365 594 HA TYR 581 HA TYR 581 11.785 25.240 4.860 595 1HB TYR 581 1HB TYR 581 11.890 25.990 2.587 596 2HB TYR 581 2HB TYR 581 13.542 25.725 3.126 597 HD1 TYR 581 HD1 TYR 581 14.750 23.626 2.331 598 HD2 TYR 581 HD2 TYR 581 11.004 24.859 0.758 599 HE1 TYR 581 HE1 TYR 581 15.090 22.167 0.375 600 HE2 TYR 581 HE2 TYR 581 11.308 23.429 -1.160 601 HH TYR 581 HH TYR 581 13.604 21.008 -1.314 602 H GLU 582 H GLU 582 9.627 25.150 4.026 603 HA GLU 582 HA GLU 582 8.976 22.411 3.338 604 1HB GLU 582 1HB GLU 582 8.535 22.754 5.654 605 2HB GLU 582 2HB GLU 582 7.533 24.148 5.287 606 1HG GLU 582 1HG GLU 582 5.906 22.732 4.208 607 2HG GLU 582 2HG GLU 582 6.933 21.317 4.468 608 H LYS 583 H LYS 583 8.457 22.430 1.412 609 HA LYS 583 HA LYS 583 6.323 24.177 0.416 610 1HB LYS 583 1HB LYS 583 7.936 22.026 -1.010 611 2HB LYS 583 2HB LYS 583 6.838 23.172 -1.752 612 1HG LYS 583 1HG LYS 583 9.475 23.790 -0.460 613 2HG LYS 583 2HG LYS 583 9.118 23.829 -2.189 614 1HD LYS 583 1HD LYS 583 7.453 25.633 -1.696 615 2HD LYS 583 2HD LYS 583 8.036 25.640 -0.032 616 1HE LYS 583 1HE LYS 583 10.311 26.139 -0.889 617 2HE LYS 583 2HE LYS 583 9.635 26.255 -2.510 618 1HZ LYS 583 1HZ LYS 583 9.832 28.457 -1.555 619 2HZ LYS 583 2HZ LYS 583 9.012 27.981 -0.189 620 3HZ LYS 583 3HZ LYS 583 8.184 28.092 -1.636 621 H ASN 584 H ASN 584 5.205 22.150 -1.258 622 HA ASN 584 HA ASN 584 3.864 20.593 0.801 623 1HB ASN 584 1HB ASN 584 2.563 21.514 -1.129 624 2HB ASN 584 2HB ASN 584 3.467 20.449 -2.209 625 1HD2 ASN 584 1HD2 ASN 584 1.667 19.312 -2.880 626 2HD2 ASN 584 2HD2 ASN 584 0.780 18.260 -1.842 627 H LYS 585 H LYS 585 5.487 19.228 1.614 628 HA LYS 585 HA LYS 585 6.509 17.483 -0.411 629 1HB LYS 585 1HB LYS 585 8.368 16.789 1.137 630 2HB LYS 585 2HB LYS 585 8.441 18.424 0.547 631 1HG LYS 585 1HG LYS 585 9.211 18.265 2.807 632 2HG LYS 585 2HG LYS 585 7.724 19.229 2.790 633 1HD LYS 585 1HD LYS 585 6.522 17.363 3.733 634 2HD LYS 585 2HD LYS 585 7.908 16.299 3.501 635 1HE LYS 585 1HE LYS 585 7.730 17.013 5.859 636 2HE LYS 585 2HE LYS 585 9.215 17.579 5.109 637 1HZ LYS 585 1HZ LYS 585 8.087 19.750 4.770 638 2HZ LYS 585 2HZ LYS 585 8.369 19.360 6.347 639 3HZ LYS 585 3HZ LYS 585 6.798 19.217 5.738 640 H THR 586 H THR 586 6.501 15.372 -0.352 641 HA THR 586 HA THR 586 5.057 14.017 1.701 642 HB THR 586 HB THR 586 3.204 14.961 0.511 643 HG1 THR 586 HG1 THR 586 3.099 12.741 1.004 644 1HG2 THR 586 1HG2 THR 586 4.405 13.932 -2.067 645 2HG2 THR 586 2HG2 THR 586 4.290 15.623 -1.559 646 3HG2 THR 586 3HG2 THR 586 2.822 14.702 -1.879 647 H PHE 587 H PHE 587 5.176 11.915 1.568 648 HA PHE 587 HA PHE 587 6.895 10.826 -0.460 649 1HB PHE 587 1HB PHE 587 7.673 9.198 1.428 650 2HB PHE 587 2HB PHE 587 8.414 10.779 1.306 651 HD1 PHE 587 HD1 PHE 587 5.730 8.966 3.117 652 HD2 PHE 587 HD2 PHE 587 8.552 12.101 3.149 653 HE1 PHE 587 HE1 PHE 587 5.278 9.379 5.556 654 HE2 PHE 587 HE2 PHE 587 8.124 12.498 5.529 655 HZ PHE 587 HZ PHE 587 6.481 11.124 6.725 656 H PHE 588 H PHE 588 6.520 8.582 -0.827 657 HA PHE 588 HA PHE 588 3.615 8.085 -0.554 658 1HB PHE 588 1HB PHE 588 5.334 7.118 -2.828 659 2HB PHE 588 2HB PHE 588 3.585 7.253 -2.748 660 HD1 PHE 588 HD1 PHE 588 2.559 9.572 -2.681 661 HD2 PHE 588 HD2 PHE 588 6.628 8.870 -3.633 662 HE1 PHE 588 HE1 PHE 588 2.705 11.809 -3.713 663 HE2 PHE 588 HE2 PHE 588 6.783 11.086 -4.652 664 HZ PHE 588 HZ PHE 588 4.820 12.564 -4.695 665 H LEU 589 H LEU 589 2.971 6.097 0.010 666 HA LEU 589 HA LEU 589 5.081 4.123 0.584 667 1HB LEU 589 1HB LEU 589 3.309 5.057 2.354 668 2HB LEU 589 2HB LEU 589 2.261 3.887 1.585 669 HG LEU 589 HG LEU 589 3.154 2.996 3.641 670 1HD1 LEU 589 1HD1 LEU 589 2.751 1.388 1.917 671 2HD1 LEU 589 2HD1 LEU 589 4.153 0.921 2.883 672 3HD1 LEU 589 3HD1 LEU 589 4.376 1.619 1.278 673 1HD2 LEU 589 1HD2 LEU 589 5.865 3.449 2.431 674 2HD2 LEU 589 2HD2 LEU 589 5.547 2.575 3.927 675 3HD2 LEU 589 3HD2 LEU 589 5.153 4.295 3.803 676 H GLU 590 H GLU 590 5.055 2.275 -0.585 677 HA GLU 590 HA GLU 590 2.692 1.527 -2.139 678 1HB GLU 590 1HB GLU 590 4.108 2.925 -3.599 679 2HB GLU 590 2HB GLU 590 5.492 1.921 -3.213 680 1HG GLU 590 1HG GLU 590 4.323 0.008 -4.276 681 2HG GLU 590 2HG GLU 590 3.051 1.127 -4.769 682 H ILE 591 H ILE 591 2.561 -0.682 -2.419 683 HA ILE 591 HA ILE 591 4.500 -2.257 -0.925 684 HB ILE 591 HB ILE 591 2.844 -4.086 -1.038 685 1HG1 ILE 591 1HG1 ILE 591 1.124 -2.028 -2.441 686 2HG1 ILE 591 2HG1 ILE 591 1.727 -3.511 -3.149 687 1HG2 ILE 591 1HG2 ILE 591 1.189 -3.086 0.496 688 2HG2 ILE 591 2HG2 ILE 591 1.770 -1.482 0.037 689 3HG2 ILE 591 3HG2 ILE 591 2.845 -2.597 0.870 690 1HD1 ILE 591 1HD1 ILE 591 -0.266 -3.255 -0.920 691 2HD1 ILE 591 2HD1 ILE 591 0.332 -4.792 -1.562 692 3HD1 ILE 591 3HD1 ILE 591 -0.613 -3.704 -2.588 693 H GLY 592 H GLY 592 4.922 -4.480 -1.918 694 1HA GLY 592 1HA GLY 592 5.530 -4.017 -4.769 695 2HA GLY 592 2HA GLY 592 6.611 -4.841 -3.654 696 H GLU 593 H GLU 593 6.705 -6.586 -5.057 697 HA GLU 593 HA GLU 593 4.362 -8.072 -5.791 698 1HB GLU 593 1HB GLU 593 6.294 -8.009 -7.252 699 2HB GLU 593 2HB GLU 593 7.335 -8.708 -6.009 700 1HG GLU 593 1HG GLU 593 5.854 -10.773 -6.189 701 2HG GLU 593 2HG GLU 593 5.121 -9.963 -7.584 702 HA PRO 594 HA PRO 594 4.263 -10.032 -1.772 703 1HB PRO 594 1HB PRO 594 2.190 -11.745 -2.341 704 2HB PRO 594 2HB PRO 594 1.982 -10.070 -1.828 705 1HG PRO 594 1HG PRO 594 1.773 -11.268 -4.530 706 2HG PRO 594 2HG PRO 594 0.899 -9.904 -3.813 707 1HD PRO 594 1HD PRO 594 2.963 -9.657 -5.603 708 2HD PRO 594 2HD PRO 594 2.487 -8.400 -4.446 709 H ARG 595 H ARG 595 5.108 -11.831 -0.933 710 HA ARG 595 HA ARG 595 6.083 -13.805 -2.861 711 1HB ARG 595 1HB ARG 595 8.151 -13.994 -1.466 712 2HB ARG 595 2HB ARG 595 7.942 -12.396 -2.169 713 1HG ARG 595 1HG ARG 595 6.898 -11.727 0.038 714 2HG ARG 595 2HG ARG 595 7.510 -13.267 0.649 715 1HD ARG 595 1HD ARG 595 9.211 -11.100 -0.575 716 2HD ARG 595 2HD ARG 595 8.964 -11.309 1.150 717 HE ARG 595 HE ARG 595 10.089 -13.549 -0.359 718 1HH1 ARG 595 1HH1 ARG 595 10.774 -10.768 1.783 719 2HH1 ARG 595 2HH1 ARG 595 12.227 -11.441 2.347 720 1HH2 ARG 595 1HH2 ARG 595 12.055 -14.355 0.365 721 2HH2 ARG 595 2HH2 ARG 595 12.986 -13.563 1.554 722 H LEU 596 H LEU 596 5.298 -15.729 -2.537 723 HA LEU 596 HA LEU 596 3.780 -16.445 -0.243 724 1HB LEU 596 1HB LEU 596 3.955 -17.383 -2.789 725 2HB LEU 596 2HB LEU 596 4.941 -18.570 -1.969 726 HG LEU 596 HG LEU 596 2.892 -19.604 -2.025 727 1HD1 LEU 596 1HD1 LEU 596 2.745 -18.140 0.573 728 2HD1 LEU 596 2HD1 LEU 596 3.616 -19.645 0.271 729 3HD1 LEU 596 3HD1 LEU 596 1.852 -19.606 0.176 730 1HD2 LEU 596 1HD2 LEU 596 1.592 -16.957 -1.496 731 2HD2 LEU 596 2HD2 LEU 596 0.732 -18.495 -1.633 732 3HD2 LEU 596 3HD2 LEU 596 1.638 -17.857 -3.010 733 H VAL 597 H VAL 597 4.552 -17.294 1.650 734 HA VAL 597 HA VAL 597 7.399 -17.926 1.878 735 HB VAL 597 HB VAL 597 5.289 -18.004 4.024 736 1HG1 VAL 597 1HG1 VAL 597 7.466 -18.996 4.650 737 2HG1 VAL 597 2HG1 VAL 597 7.166 -17.527 5.578 738 3HG1 VAL 597 3HG1 VAL 597 8.276 -17.493 4.208 739 1HG2 VAL 597 1HG2 VAL 597 5.891 -15.688 4.603 740 2HG2 VAL 597 2HG2 VAL 597 5.167 -15.829 2.999 741 3HG2 VAL 597 3HG2 VAL 597 6.913 -15.624 3.167 742 H GLU 598 H GLU 598 5.802 -19.521 0.375 743 HA GLU 598 HA GLU 598 5.519 -21.648 -0.286 744 1HB GLU 598 1HB GLU 598 7.211 -22.255 2.091 745 2HB GLU 598 2HB GLU 598 6.576 -23.518 1.050 746 1HG GLU 598 1HG GLU 598 7.731 -22.491 -0.852 747 2HG GLU 598 2HG GLU 598 8.384 -21.265 0.236 748 H MET 599 H MET 599 4.645 -21.202 3.009 749 HA MET 599 HA MET 599 3.226 -23.556 3.393 750 1HB MET 599 1HB MET 599 3.669 -22.008 5.269 751 2HB MET 599 2HB MET 599 2.413 -20.934 4.657 752 1HG MET 599 1HG MET 599 0.729 -22.663 4.973 753 2HG MET 599 2HG MET 599 1.955 -23.798 5.509 754 1HE MET 599 1HE MET 599 -0.234 -20.705 6.398 755 2HE MET 599 2HE MET 599 1.372 -19.995 6.357 756 3HE MET 599 3HE MET 599 0.501 -20.113 7.892 757 H SER 600 H SER 600 1.864 -24.402 2.257 758 HA SER 600 HA SER 600 -0.743 -23.670 1.922 759 1HB SER 600 1HB SER 600 0.229 -22.063 0.232 760 2HB SER 600 2HB SER 600 0.939 -23.464 -0.590 761 HG SER 600 HG SER 600 -1.847 -23.262 -0.112 762 H GLU 601 H GLU 601 -1.490 -25.709 2.004 763 HA GLU 601 HA GLU 601 0.290 -27.750 0.905 764 1HB GLU 601 1HB GLU 601 -0.414 -29.215 2.760 765 2HB GLU 601 2HB GLU 601 0.505 -27.804 3.270 766 1HG GLU 601 1HG GLU 601 -1.475 -26.710 4.044 767 2HG GLU 601 2HG GLU 601 -2.495 -27.963 3.346 768 H LYS 602 H LYS 602 -0.555 -29.083 -0.472 769 HA LYS 602 HA LYS 602 -3.446 -29.380 -0.623 770 1HB LYS 602 1HB LYS 602 -1.237 -30.713 -2.232 771 2HB LYS 602 2HB LYS 602 -2.956 -30.940 -2.516 772 1HG LYS 602 1HG LYS 602 -3.106 -28.499 -3.022 773 2HG LYS 602 2HG LYS 602 -1.349 -28.432 -2.906 774 1HD LYS 602 1HD LYS 602 -2.923 -30.151 -4.842 775 2HD LYS 602 2HD LYS 602 -2.114 -28.641 -5.248 776 1HE LYS 602 1HE LYS 602 0.047 -29.662 -4.655 777 2HE LYS 602 2HE LYS 602 -0.777 -31.173 -4.274 778 1HZ LYS 602 1HZ LYS 602 0.169 -31.238 -6.503 779 2HZ LYS 602 2HZ LYS 602 -0.654 -29.865 -6.937 780 3HZ LYS 602 3HZ LYS 602 -1.509 -31.270 -6.614 781 H LYS 603 H LYS 603 -4.416 -31.081 0.349 782 HA LYS 603 HA LYS 603 -2.837 -32.493 2.272 783 1HB LYS 603 1HB LYS 603 -5.214 -31.597 2.593 784 2HB LYS 603 2HB LYS 603 -5.750 -32.966 1.645 785 1HG LYS 603 1HG LYS 603 -6.049 -33.505 3.959 786 2HG LYS 603 2HG LYS 603 -4.722 -34.485 3.335 787 1HD LYS 603 1HD LYS 603 -4.085 -33.662 5.506 788 2HD LYS 603 2HD LYS 603 -3.125 -32.795 4.311 789 1HE LYS 603 1HE LYS 603 -4.675 -30.892 4.469 790 2HE LYS 603 2HE LYS 603 -5.629 -31.770 5.662 791 1HZ LYS 603 1HZ LYS 603 -3.543 -31.799 7.058 792 2HZ LYS 603 2HZ LYS 603 -4.248 -30.307 6.827 793 3HZ LYS 603 3HZ LYS 603 -2.869 -30.702 5.949 794 H GLY 604 H GLY 604 -2.989 -33.055 -0.840 795 1HA GLY 604 1HA GLY 604 -3.411 -35.935 -0.816 796 2HA GLY 604 2HA GLY 604 -3.094 -34.944 -2.233 797 H GLY 605 H GLY 605 -1.055 -34.431 0.484 798 1HA GLY 605 1HA GLY 605 0.977 -35.375 1.084 799 2HA GLY 605 2HA GLY 605 0.838 -36.468 -0.278 800 H PHE 606 H PHE 606 0.702 -32.898 -0.310 801 HA PHE 606 HA PHE 606 3.383 -32.704 -1.263 802 1HB PHE 606 1HB PHE 606 2.128 -33.454 -3.331 803 2HB PHE 606 2HB PHE 606 1.203 -31.957 -3.208 804 HD1 PHE 606 HD1 PHE 606 4.563 -33.345 -3.777 805 HD2 PHE 606 HD2 PHE 606 2.099 -29.890 -3.971 806 HE1 PHE 606 HE1 PHE 606 6.312 -32.177 -5.055 807 HE2 PHE 606 HE2 PHE 606 3.840 -28.714 -5.243 808 HZ PHE 606 HZ PHE 606 5.951 -29.856 -5.791 809 H THR 607 H THR 607 4.143 -30.803 -0.591 810 HA THR 607 HA THR 607 2.236 -28.756 0.077 811 HB THR 607 HB THR 607 4.296 -27.736 1.216 812 HG1 THR 607 HG1 THR 607 5.714 -29.682 1.821 813 1HG2 THR 607 1HG2 THR 607 4.042 -29.190 3.192 814 2HG2 THR 607 2HG2 THR 607 3.221 -30.386 2.191 815 3HG2 THR 607 3HG2 THR 607 2.486 -28.808 2.458 816 H ILE 608 H ILE 608 2.292 -26.745 -0.842 817 HA ILE 608 HA ILE 608 3.275 -26.664 -3.537 818 HB ILE 608 HB ILE 608 1.922 -24.604 -1.838 819 1HG1 ILE 608 1HG1 ILE 608 0.511 -26.578 -2.103 820 2HG1 ILE 608 2HG1 ILE 608 -0.181 -25.227 -2.989 821 1HG2 ILE 608 1HG2 ILE 608 1.242 -23.480 -3.957 822 2HG2 ILE 608 2HG2 ILE 608 2.224 -24.641 -4.849 823 3HG2 ILE 608 3HG2 ILE 608 2.993 -23.514 -3.732 824 1HD1 ILE 608 1HD1 ILE 608 1.373 -27.528 -4.166 825 2HD1 ILE 608 2HD1 ILE 608 0.767 -26.145 -5.069 826 3HD1 ILE 608 3HD1 ILE 608 -0.365 -27.249 -4.296 827 H THR 609 H THR 609 4.734 -25.136 -4.386 828 HA THR 609 HA THR 609 5.959 -23.303 -2.650 829 HB THR 609 HB THR 609 7.208 -25.130 -2.078 830 HG1 THR 609 HG1 THR 609 9.352 -24.506 -3.292 831 1HG2 THR 609 1HG2 THR 609 6.853 -26.685 -3.862 832 2HG2 THR 609 2HG2 THR 609 8.601 -26.493 -3.686 833 3HG2 THR 609 3HG2 THR 609 7.746 -25.676 -4.996 834 H GLU 610 H GLU 610 4.780 -22.058 -4.093 835 HA GLU 610 HA GLU 610 5.797 -21.707 -6.794 836 1HB GLU 610 1HB GLU 610 3.795 -20.034 -5.235 837 2HB GLU 610 2HB GLU 610 4.146 -19.879 -6.945 838 1HG GLU 610 1HG GLU 610 2.913 -22.291 -5.643 839 2HG GLU 610 2HG GLU 610 2.021 -21.019 -6.470 840 H GLU 611 H GLU 611 7.945 -21.170 -6.252 841 HA GLU 611 HA GLU 611 8.239 -18.922 -4.508 842 1HB GLU 611 1HB GLU 611 10.716 -19.327 -4.706 843 2HB GLU 611 2HB GLU 611 9.756 -20.561 -3.912 844 1HG GLU 611 1HG GLU 611 9.959 -22.029 -5.706 845 2HG GLU 611 2HG GLU 611 10.533 -20.764 -6.802 846 H TYR 612 H TYR 612 7.511 -17.294 -5.551 847 HA TYR 612 HA TYR 612 9.364 -16.242 -7.521 848 1HB TYR 612 1HB TYR 612 6.394 -15.651 -7.235 849 2HB TYR 612 2HB TYR 612 7.481 -14.727 -8.282 850 HD1 TYR 612 HD1 TYR 612 8.661 -15.891 -10.123 851 HD2 TYR 612 HD2 TYR 612 5.525 -17.753 -7.960 852 HE1 TYR 612 HE1 TYR 612 8.445 -17.564 -11.909 853 HE2 TYR 612 HE2 TYR 612 5.289 -19.430 -9.741 854 HH TYR 612 HH TYR 612 7.647 -19.716 -12.238 855 H ASP 613 H ASP 613 10.698 -15.594 -6.130 856 HA ASP 613 HA ASP 613 9.893 -13.733 -3.986 857 1HB ASP 613 1HB ASP 613 10.332 -16.113 -3.297 858 2HB ASP 613 2HB ASP 613 11.942 -15.975 -3.963 859 H ASP 614 H ASP 614 10.937 -13.461 -6.778 860 HA ASP 614 HA ASP 614 13.749 -12.745 -6.423 861 1HB ASP 614 1HB ASP 614 13.116 -14.286 -8.260 862 2HB ASP 614 2HB ASP 614 12.146 -13.010 -8.974 863 H LYS 615 H LYS 615 11.090 -11.309 -6.010 864 HA LYS 615 HA LYS 615 10.182 -9.272 -6.057 865 1HB LYS 615 1HB LYS 615 13.066 -8.509 -5.744 866 2HB LYS 615 2HB LYS 615 11.729 -7.386 -5.477 867 1HG LYS 615 1HG LYS 615 12.216 -9.946 -3.948 868 2HG LYS 615 2HG LYS 615 12.621 -8.325 -3.381 869 1HD LYS 615 1HD LYS 615 10.292 -7.701 -3.373 870 2HD LYS 615 2HD LYS 615 9.829 -9.237 -4.093 871 1HE LYS 615 1HE LYS 615 9.373 -9.250 -1.717 872 2HE LYS 615 2HE LYS 615 10.629 -10.411 -2.116 873 1HZ LYS 615 1HZ LYS 615 11.248 -7.694 -1.076 874 2HZ LYS 615 2HZ LYS 615 12.281 -9.020 -1.154 875 3HZ LYS 615 3HZ LYS 615 10.984 -9.012 -0.078 876 H GLN 616 H GLN 616 9.496 -9.637 -8.153 877 HA GLN 616 HA GLN 616 10.768 -7.979 -10.213 878 1HB GLN 616 1HB GLN 616 8.950 -10.384 -10.274 879 2HB GLN 616 2HB GLN 616 9.269 -9.427 -11.706 880 1HG GLN 616 1HG GLN 616 11.369 -10.828 -10.072 881 2HG GLN 616 2HG GLN 616 10.659 -11.469 -11.553 882 1HE2 GLN 616 1HE2 GLN 616 13.407 -10.813 -11.003 883 2HE2 GLN 616 2HE2 GLN 616 13.888 -9.625 -12.150 884 HA PRO 617 HA PRO 617 7.000 -5.484 -10.221 885 1HB PRO 617 1HB PRO 617 6.238 -5.544 -12.861 886 2HB PRO 617 2HB PRO 617 7.453 -4.430 -12.217 887 1HG PRO 617 1HG PRO 617 7.824 -6.992 -13.711 888 2HG PRO 617 2HG PRO 617 8.760 -5.491 -13.802 889 1HD PRO 617 1HD PRO 617 9.649 -7.649 -12.472 890 2HD PRO 617 2HD PRO 617 10.001 -6.008 -11.923 891 H LEU 618 H LEU 618 4.676 -5.727 -10.627 892 HA LEU 618 HA LEU 618 3.909 -8.333 -10.020 893 1HB LEU 618 1HB LEU 618 2.328 -5.852 -10.584 894 2HB LEU 618 2HB LEU 618 1.511 -7.387 -10.437 895 HG LEU 618 HG LEU 618 1.395 -6.170 -8.330 896 1HD1 LEU 618 1HD1 LEU 618 3.298 -8.481 -8.045 897 2HD1 LEU 618 2HD1 LEU 618 1.556 -8.632 -8.302 898 3HD1 LEU 618 3HD1 LEU 618 2.170 -7.866 -6.837 899 1HD2 LEU 618 1HD2 LEU 618 4.401 -6.330 -8.267 900 2HD2 LEU 618 2HD2 LEU 618 3.368 -5.679 -6.994 901 3HD2 LEU 618 3HD2 LEU 618 3.483 -4.849 -8.552 902 H THR 619 H THR 619 2.816 -9.874 -11.062 903 HA THR 619 HA THR 619 3.976 -10.367 -13.518 904 HB THR 619 HB THR 619 2.650 -12.515 -13.284 905 HG1 THR 619 HG1 THR 619 0.972 -11.598 -11.873 906 1HG2 THR 619 1HG2 THR 619 4.420 -11.562 -11.021 907 2HG2 THR 619 2HG2 THR 619 4.989 -12.249 -12.542 908 3HG2 THR 619 3HG2 THR 619 4.076 -13.244 -11.408 909 H SER 620 H SER 620 1.080 -8.700 -13.054 910 HA SER 620 HA SER 620 -0.379 -10.005 -15.115 911 1HB SER 620 1HB SER 620 -1.935 -8.007 -14.846 912 2HB SER 620 2HB SER 620 -1.750 -9.136 -13.502 913 HG SER 620 HG SER 620 -0.232 -6.734 -13.759 914 H LYS 621 H LYS 621 1.165 -9.934 -16.686 915 HA LYS 621 HA LYS 621 1.500 -7.508 -18.214 916 1HB LYS 621 1HB LYS 621 3.336 -9.066 -18.159 917 2HB LYS 621 2HB LYS 621 2.299 -10.390 -18.658 918 1HG LYS 621 1HG LYS 621 2.035 -9.347 -20.849 919 2HG LYS 621 2HG LYS 621 3.086 -8.023 -20.338 920 1HD LYS 621 1HD LYS 621 4.961 -9.468 -20.150 921 2HD LYS 621 2HD LYS 621 3.944 -10.905 -20.262 922 1HE LYS 621 1HE LYS 621 4.415 -8.900 -22.459 923 2HE LYS 621 2HE LYS 621 5.142 -10.503 -22.351 924 1HZ LYS 621 1HZ LYS 621 3.306 -10.745 -23.772 925 2HZ LYS 621 2HZ LYS 621 2.321 -9.797 -22.812 926 3HZ LYS 621 3HZ LYS 621 2.740 -11.338 -22.281 927 H GLU 622 H GLU 622 -0.071 -10.679 -18.619 928 HA GLU 622 HA GLU 622 -1.862 -9.543 -20.637 929 1HB GLU 622 1HB GLU 622 -1.690 -12.430 -19.724 930 2HB GLU 622 2HB GLU 622 -2.501 -11.819 -21.144 931 1HG GLU 622 1HG GLU 622 -0.602 -12.951 -21.917 932 2HG GLU 622 2HG GLU 622 -0.192 -11.243 -22.028 933 H GLU 623 H GLU 623 -4.097 -9.560 -20.165 934 HA GLU 623 HA GLU 623 -4.728 -10.193 -17.389 935 1HB GLU 623 1HB GLU 623 -5.681 -8.097 -18.363 936 2HB GLU 623 2HB GLU 623 -6.573 -9.074 -19.527 937 1HG GLU 623 1HG GLU 623 -7.778 -10.158 -17.702 938 2HG GLU 623 2HG GLU 623 -6.885 -9.193 -16.536 939 H GLU 624 H GLU 624 -5.219 -11.246 -20.609 940 HA GLU 624 HA GLU 624 -7.268 -13.104 -20.370 941 1HB GLU 624 1HB GLU 624 -4.862 -13.121 -22.164 942 2HB GLU 624 2HB GLU 624 -6.273 -14.143 -22.372 943 1HG GLU 624 1HG GLU 624 -7.640 -12.316 -22.901 944 2HG GLU 624 2HG GLU 624 -6.440 -11.151 -22.331 945 H GLU 625 H GLU 625 -3.827 -13.908 -20.626 946 HA GLU 625 HA GLU 625 -4.379 -16.566 -19.670 947 1HB GLU 625 1HB GLU 625 -1.856 -15.312 -20.707 948 2HB GLU 625 2HB GLU 625 -2.013 -16.998 -20.235 949 1HG GLU 625 1HG GLU 625 -3.565 -15.640 -22.427 950 2HG GLU 625 2HG GLU 625 -2.183 -16.712 -22.650 951 H ARG 626 H ARG 626 -2.782 -13.690 -18.436 952 HA ARG 626 HA ARG 626 -1.148 -15.092 -16.636 953 1HB ARG 626 1HB ARG 626 -0.772 -12.746 -17.465 954 2HB ARG 626 2HB ARG 626 -1.985 -12.226 -16.311 955 1HG ARG 626 1HG ARG 626 0.185 -11.882 -15.393 956 2HG ARG 626 2HG ARG 626 -0.627 -13.165 -14.492 957 1HD ARG 626 1HD ARG 626 1.713 -13.694 -14.936 958 2HD ARG 626 2HD ARG 626 0.643 -14.836 -15.742 959 HE ARG 626 HE ARG 626 1.045 -13.127 -17.726 960 1HH1 ARG 626 1HH1 ARG 626 3.442 -14.476 -15.515 961 2HH1 ARG 626 2HH1 ARG 626 4.735 -14.266 -16.602 962 1HH2 ARG 626 1HH2 ARG 626 2.693 -12.860 -19.157 963 2HH2 ARG 626 2HH2 ARG 626 4.313 -13.271 -18.774 964 H ARG 627 H ARG 627 -4.364 -13.708 -16.260 965 HA ARG 627 HA ARG 627 -4.631 -13.792 -13.490 966 1HB ARG 627 1HB ARG 627 -6.633 -14.168 -15.671 967 2HB ARG 627 2HB ARG 627 -7.094 -14.243 -13.978 968 1HG ARG 627 1HG ARG 627 -6.185 -11.963 -13.693 969 2HG ARG 627 2HG ARG 627 -5.898 -11.914 -15.438 970 1HD ARG 627 1HD ARG 627 -8.532 -12.599 -14.262 971 2HD ARG 627 2HD ARG 627 -8.097 -10.906 -14.607 972 HE ARG 627 HE ARG 627 -7.669 -12.302 -16.907 973 1HH1 ARG 627 1HH1 ARG 627 -10.478 -11.920 -14.763 974 2HH1 ARG 627 2HH1 ARG 627 -11.632 -11.983 -16.001 975 1HH2 ARG 627 1HH2 ARG 627 -9.310 -12.362 -18.668 976 2HH2 ARG 627 2HH2 ARG 627 -10.942 -12.257 -18.253 977 H ILE 628 H ILE 628 -4.712 -16.360 -15.747 978 HA ILE 628 HA ILE 628 -5.980 -18.341 -14.223 979 HB ILE 628 HB ILE 628 -3.947 -18.495 -16.445 980 1HG1 ILE 628 1HG1 ILE 628 -6.937 -18.848 -16.510 981 2HG1 ILE 628 2HG1 ILE 628 -6.159 -17.314 -16.863 982 1HG2 ILE 628 1HG2 ILE 628 -4.687 -20.816 -16.765 983 2HG2 ILE 628 2HG2 ILE 628 -5.733 -20.670 -15.344 984 3HG2 ILE 628 3HG2 ILE 628 -3.980 -20.557 -15.164 985 1HD1 ILE 628 1HD1 ILE 628 -6.764 -18.513 -18.885 986 2HD1 ILE 628 2HD1 ILE 628 -5.830 -19.915 -18.363 987 3HD1 ILE 628 3HD1 ILE 628 -5.007 -18.409 -18.760 988 H ALA 629 H ALA 629 -2.659 -17.257 -14.461 989 HA ALA 629 HA ALA 629 -1.750 -19.303 -12.660 990 1HB ALA 629 1HB ALA 629 -0.277 -18.589 -14.475 991 2HB ALA 629 2HB ALA 629 0.467 -18.257 -12.913 992 3HB ALA 629 3HB ALA 629 -0.268 -16.944 -13.838 993 H GLU 630 H GLU 630 -2.687 -15.947 -12.651 994 HA GLU 630 HA GLU 630 -1.613 -15.348 -10.061 995 1HB GLU 630 1HB GLU 630 -3.584 -13.739 -11.686 996 2HB GLU 630 2HB GLU 630 -2.692 -13.185 -10.284 997 1HG GLU 630 1HG GLU 630 -0.589 -13.558 -11.557 998 2HG GLU 630 2HG GLU 630 -1.587 -13.936 -12.960 999 H MET 631 H MET 631 -4.213 -17.190 -10.860 1000 HA MET 631 HA MET 631 -5.841 -16.192 -8.678 1001 1HB MET 631 1HB MET 631 -7.408 -18.052 -9.119 1002 2HB MET 631 2HB MET 631 -7.039 -17.170 -10.591 1003 1HG MET 631 1HG MET 631 -5.584 -18.930 -11.338 1004 2HG MET 631 2HG MET 631 -5.756 -19.763 -9.795 1005 1HE MET 631 1HE MET 631 -9.254 -19.288 -12.787 1006 2HE MET 631 2HE MET 631 -7.664 -18.563 -13.037 1007 3HE MET 631 3HE MET 631 -8.707 -17.987 -11.735 1008 H GLY 632 H GLY 632 -3.502 -18.670 -9.260 1009 1HA GLY 632 1HA GLY 632 -3.852 -19.775 -6.604 1010 2HA GLY 632 2HA GLY 632 -2.748 -20.354 -7.849 1011 H ARG 633 H ARG 633 -1.539 -17.930 -8.491 1012 HA ARG 633 HA ARG 633 0.250 -17.650 -6.216 1013 1HB ARG 633 1HB ARG 633 0.401 -16.516 -9.022 1014 2HB ARG 633 2HB ARG 633 1.683 -16.441 -7.816 1015 1HG ARG 633 1HG ARG 633 1.919 -18.836 -7.848 1016 2HG ARG 633 2HG ARG 633 0.534 -18.987 -8.926 1017 1HD ARG 633 1HD ARG 633 1.763 -17.735 -10.643 1018 2HD ARG 633 2HD ARG 633 3.156 -17.646 -9.563 1019 HE ARG 633 HE ARG 633 2.637 -20.293 -9.673 1020 1HH1 ARG 633 1HH1 ARG 633 3.283 -17.859 -12.178 1021 2HH1 ARG 633 2HH1 ARG 633 3.873 -19.008 -13.289 1022 1HH2 ARG 633 1HH2 ARG 633 3.435 -21.795 -11.185 1023 2HH2 ARG 633 2HH2 ARG 633 3.995 -21.293 -12.708 1024 HA PRO 634 HA PRO 634 -1.818 -13.969 -4.970 1025 1HB PRO 634 1HB PRO 634 -0.072 -12.889 -3.321 1026 2HB PRO 634 2HB PRO 634 -0.857 -14.417 -2.925 1027 1HG PRO 634 1HG PRO 634 1.891 -13.980 -4.064 1028 2HG PRO 634 2HG PRO 634 1.398 -15.070 -2.758 1029 1HD PRO 634 1HD PRO 634 1.760 -15.922 -5.323 1030 2HD PRO 634 2HD PRO 634 0.582 -16.661 -4.221 1031 H ILE 635 H ILE 635 -1.854 -11.713 -5.151 1032 HA ILE 635 HA ILE 635 0.198 -10.413 -6.664 1033 HB ILE 635 HB ILE 635 -1.679 -9.513 -8.257 1034 1HG1 ILE 635 1HG1 ILE 635 -3.358 -11.278 -8.882 1035 2HG1 ILE 635 2HG1 ILE 635 -2.878 -12.193 -7.468 1036 1HG2 ILE 635 1HG2 ILE 635 -0.515 -12.256 -8.572 1037 2HG2 ILE 635 2HG2 ILE 635 0.244 -10.728 -9.010 1038 3HG2 ILE 635 3HG2 ILE 635 -1.192 -11.280 -9.873 1039 1HD1 ILE 635 1HD1 ILE 635 -3.730 -10.388 -6.042 1040 2HD1 ILE 635 2HD1 ILE 635 -4.974 -11.039 -7.110 1041 3HD1 ILE 635 3HD1 ILE 635 -4.214 -9.493 -7.484 1042 H LEU 636 H LEU 636 -1.157 -8.066 -7.279 1043 HA LEU 636 HA LEU 636 -1.364 -6.974 -4.614 1044 1HB LEU 636 1HB LEU 636 -1.162 -4.778 -5.584 1045 2HB LEU 636 2HB LEU 636 0.037 -5.807 -6.312 1046 HG LEU 636 HG LEU 636 -0.658 -4.448 -8.043 1047 1HD1 LEU 636 1HD1 LEU 636 -1.896 -5.743 -9.673 1048 2HD1 LEU 636 2HD1 LEU 636 -2.337 -6.868 -8.381 1049 3HD1 LEU 636 3HD1 LEU 636 -0.642 -6.678 -8.839 1050 1HD2 LEU 636 1HD2 LEU 636 -2.537 -3.346 -7.011 1051 2HD2 LEU 636 2HD2 LEU 636 -3.532 -4.787 -7.210 1052 3HD2 LEU 636 3HD2 LEU 636 -2.986 -3.890 -8.628 1053 H GLY 637 H GLY 637 -3.071 -5.313 -4.181 1054 1HA GLY 637 1HA GLY 637 -5.609 -6.636 -4.532 1055 2HA GLY 637 2HA GLY 637 -5.294 -5.234 -3.530 1056 H GLU 638 H GLU 638 -5.275 -3.148 -4.553 1057 HA GLU 638 HA GLU 638 -6.401 -3.088 -7.224 1058 1HB GLU 638 1HB GLU 638 -8.346 -3.215 -5.704 1059 2HB GLU 638 2HB GLU 638 -7.763 -1.789 -4.859 1060 1HG GLU 638 1HG GLU 638 -8.101 -0.431 -6.815 1061 2HG GLU 638 2HG GLU 638 -8.551 -1.850 -7.757 1062 H HIS 639 H HIS 639 -5.815 -0.837 -4.484 1063 HA HIS 639 HA HIS 639 -4.061 0.529 -6.332 1064 1HB HIS 639 1HB HIS 639 -4.790 2.764 -5.516 1065 2HB HIS 639 2HB HIS 639 -6.048 1.890 -6.362 1066 HD1 HIS 639 HD1 HIS 639 -5.360 3.694 -3.238 1067 HD2 HIS 639 HD2 HIS 639 -8.111 0.882 -4.590 1068 HE1 HIS 639 HE1 HIS 639 -7.295 3.783 -1.636 1069 H THR 640 H THR 640 -2.155 0.548 -5.699 1070 HA THR 640 HA THR 640 -1.658 0.684 -2.852 1071 HB THR 640 HB THR 640 -0.717 -1.355 -3.440 1072 HG1 THR 640 HG1 THR 640 1.385 0.460 -3.891 1073 1HG2 THR 640 1HG2 THR 640 -0.984 -1.208 -5.860 1074 2HG2 THR 640 2HG2 THR 640 0.653 -1.757 -5.459 1075 3HG2 THR 640 3HG2 THR 640 0.366 -0.074 -5.939 1076 H LYS 641 H LYS 641 -1.649 2.795 -2.666 1077 HA LYS 641 HA LYS 641 0.752 4.141 -3.226 1078 1HB LYS 641 1HB LYS 641 -0.615 4.255 -5.446 1079 2HB LYS 641 2HB LYS 641 -1.683 5.326 -4.560 1080 1HG LYS 641 1HG LYS 641 1.262 5.850 -4.905 1081 2HG LYS 641 2HG LYS 641 0.051 6.446 -6.038 1082 1HD LYS 641 1HD LYS 641 -0.991 7.610 -4.052 1083 2HD LYS 641 2HD LYS 641 0.438 7.113 -3.134 1084 1HE LYS 641 1HE LYS 641 0.753 9.380 -3.963 1085 2HE LYS 641 2HE LYS 641 1.861 8.284 -4.776 1086 1HZ LYS 641 1HZ LYS 641 -0.681 9.344 -5.869 1087 2HZ LYS 641 2HZ LYS 641 0.280 8.234 -6.667 1088 3HZ LYS 641 3HZ LYS 641 0.857 9.785 -6.374 1089 H LEU 642 H LEU 642 0.953 5.294 -1.533 1090 HA LEU 642 HA LEU 642 -1.395 6.484 -0.235 1091 1HB LEU 642 1HB LEU 642 -0.554 4.552 1.035 1092 2HB LEU 642 2HB LEU 642 1.041 5.286 1.029 1093 HG LEU 642 HG LEU 642 0.035 7.219 2.276 1094 1HD1 LEU 642 1HD1 LEU 642 -2.216 5.276 2.600 1095 2HD1 LEU 642 2HD1 LEU 642 -2.286 6.886 1.843 1096 3HD1 LEU 642 3HD1 LEU 642 -1.982 6.726 3.572 1097 1HD2 LEU 642 1HD2 LEU 642 1.453 5.534 3.317 1098 2HD2 LEU 642 2HD2 LEU 642 0.028 4.539 3.641 1099 3HD2 LEU 642 3HD2 LEU 642 0.194 6.144 4.380 1100 H GLU 643 H GLU 643 -1.120 8.583 -0.671 1101 HA GLU 643 HA GLU 643 1.547 9.739 -0.739 1102 1HB GLU 643 1HB GLU 643 -0.263 10.251 -2.451 1103 2HB GLU 643 2HB GLU 643 -1.123 11.047 -1.145 1104 1HG GLU 643 1HG GLU 643 0.549 12.706 -0.926 1105 2HG GLU 643 2HG GLU 643 1.626 11.854 -2.023 1106 H VAL 644 H VAL 644 2.340 10.130 1.258 1107 HA VAL 644 HA VAL 644 0.519 11.006 3.354 1108 HB VAL 644 HB VAL 644 3.458 10.374 3.509 1109 1HG1 VAL 644 1HG1 VAL 644 2.598 11.681 5.350 1110 2HG1 VAL 644 2HG1 VAL 644 3.015 10.061 5.893 1111 3HG1 VAL 644 3HG1 VAL 644 1.327 10.493 5.631 1112 1HG2 VAL 644 1HG2 VAL 644 1.191 8.470 4.100 1113 2HG2 VAL 644 2HG2 VAL 644 2.928 8.101 4.129 1114 3HG2 VAL 644 3HG2 VAL 644 2.127 8.474 2.619 1115 H ILE 645 H ILE 645 0.210 13.137 3.199 1116 HA ILE 645 HA ILE 645 2.427 14.841 2.425 1117 HB ILE 645 HB ILE 645 -0.445 15.603 3.094 1118 1HG1 ILE 645 1HG1 ILE 645 -0.309 16.296 0.514 1119 2HG1 ILE 645 2HG1 ILE 645 0.990 15.134 0.507 1120 1HG2 ILE 645 1HG2 ILE 645 1.026 17.431 3.659 1121 2HG2 ILE 645 2HG2 ILE 645 0.069 17.834 2.230 1122 3HG2 ILE 645 3HG2 ILE 645 1.759 17.373 2.054 1123 1HD1 ILE 645 1HD1 ILE 645 -0.516 13.375 1.268 1124 2HD1 ILE 645 2HD1 ILE 645 -1.125 14.115 -0.209 1125 3HD1 ILE 645 3HD1 ILE 645 -1.831 14.539 1.337 1126 H ILE 646 H ILE 646 3.662 15.973 3.788 1127 HA ILE 646 HA ILE 646 2.941 15.744 6.622 1128 HB ILE 646 HB ILE 646 5.757 16.313 5.729 1129 1HG1 ILE 646 1HG1 ILE 646 6.080 13.696 6.191 1130 2HG1 ILE 646 2HG1 ILE 646 4.387 13.660 5.752 1131 1HG2 ILE 646 1HG2 ILE 646 5.228 16.666 8.079 1132 2HG2 ILE 646 2HG2 ILE 646 6.330 15.301 7.904 1133 3HG2 ILE 646 3HG2 ILE 646 4.620 15.017 8.208 1134 1HD1 ILE 646 1HD1 ILE 646 5.776 13.194 3.823 1135 2HD1 ILE 646 2HD1 ILE 646 6.587 14.750 4.029 1136 3HD1 ILE 646 3HD1 ILE 646 4.889 14.709 3.611 1137 H GLU 647 H GLU 647 2.135 17.470 7.192 1138 HA GLU 647 HA GLU 647 3.093 20.050 6.230 1139 1HB GLU 647 1HB GLU 647 0.798 20.769 7.028 1140 2HB GLU 647 2HB GLU 647 0.809 19.688 5.642 1141 1HG GLU 647 1HG GLU 647 0.232 17.813 7.043 1142 2HG GLU 647 2HG GLU 647 0.336 18.813 8.491 1143 H GLU 648 H GLU 648 1.898 21.483 8.347 1144 HA GLU 648 HA GLU 648 3.789 20.988 10.470 1145 1HB GLU 648 1HB GLU 648 1.585 23.045 10.194 1146 2HB GLU 648 2HB GLU 648 2.805 23.037 11.457 1147 1HG GLU 648 1HG GLU 648 3.360 23.316 8.517 1148 2HG GLU 648 2HG GLU 648 3.275 24.650 9.664 1149 H SER 649 H SER 649 2.539 21.496 12.757 1150 HA SER 649 HA SER 649 0.801 19.251 13.114 1151 1HB SER 649 1HB SER 649 2.532 19.926 14.813 1152 2HB SER 649 2HB SER 649 1.598 21.387 15.117 1153 HG SER 649 HG SER 649 0.116 19.088 15.292 1154 H TYR 650 H TYR 650 -0.805 19.891 11.729 1155 HA TYR 650 HA TYR 650 -2.800 21.686 12.867 1156 1HB TYR 650 1HB TYR 650 -1.517 23.029 11.225 1157 2HB TYR 650 2HB TYR 650 -1.815 21.806 9.996 1158 HD1 TYR 650 HD1 TYR 650 -3.380 24.397 12.078 1159 HD2 TYR 650 HD2 TYR 650 -3.883 21.752 8.794 1160 HE1 TYR 650 HE1 TYR 650 -5.446 25.560 11.463 1161 HE2 TYR 650 HE2 TYR 650 -5.954 22.910 8.168 1162 HH TYR 650 HH TYR 650 -6.802 25.901 9.504 1163 H GLU 651 H GLU 651 -2.149 19.776 9.907 1164 HA GLU 651 HA GLU 651 -2.984 18.045 8.964 1165 1HB GLU 651 1HB GLU 651 -4.506 17.836 11.421 1166 2HB GLU 651 2HB GLU 651 -4.575 16.577 10.176 1167 1HG GLU 651 1HG GLU 651 -2.217 16.095 10.523 1168 2HG GLU 651 2HG GLU 651 -2.087 17.428 11.672 1169 H PHE 652 H PHE 652 -4.175 18.198 7.418 1170 HA PHE 652 HA PHE 652 -6.792 19.516 7.564 1171 1HB PHE 652 1HB PHE 652 -4.995 20.912 6.465 1172 2HB PHE 652 2HB PHE 652 -4.790 19.625 5.287 1173 HD1 PHE 652 HD1 PHE 652 -5.929 19.784 3.280 1174 HD2 PHE 652 HD2 PHE 652 -7.428 21.843 6.686 1175 HE1 PHE 652 HE1 PHE 652 -7.676 20.816 1.884 1176 HE2 PHE 652 HE2 PHE 652 -9.166 22.873 5.313 1177 HZ PHE 652 HZ PHE 652 -9.300 22.362 2.898 1178 H LYS 653 H LYS 653 -8.185 18.723 5.727 1179 HA LYS 653 HA LYS 653 -7.529 15.929 5.153 1180 1HB LYS 653 1HB LYS 653 -10.204 17.179 5.737 1181 2HB LYS 653 2HB LYS 653 -10.006 15.535 5.153 1182 1HG LYS 653 1HG LYS 653 -8.715 16.541 7.667 1183 2HG LYS 653 2HG LYS 653 -10.327 15.816 7.666 1184 1HD LYS 653 1HD LYS 653 -7.774 14.485 6.719 1185 2HD LYS 653 2HD LYS 653 -8.519 14.237 8.294 1186 1HE LYS 653 1HE LYS 653 -9.772 13.558 5.615 1187 2HE LYS 653 2HE LYS 653 -9.064 12.425 6.759 1188 1HZ LYS 653 1HZ LYS 653 -10.743 13.031 8.370 1189 2HZ LYS 653 2HZ LYS 653 -11.463 12.465 6.976 1190 3HZ LYS 653 3HZ LYS 653 -11.445 14.122 7.303 1191 H SER 654 H SER 654 -6.706 16.125 3.136 1192 HA SER 654 HA SER 654 -8.672 16.857 1.147 1193 1HB SER 654 1HB SER 654 -7.047 18.753 1.357 1194 2HB SER 654 2HB SER 654 -5.736 17.639 0.981 1195 HG SER 654 HG SER 654 -7.859 17.699 -0.799 1196 H THR 655 H THR 655 -9.028 14.621 1.129 1197 HA THR 655 HA THR 655 -6.852 12.926 0.226 1198 HB THR 655 HB THR 655 -9.680 12.128 0.955 1199 HG1 THR 655 HG1 THR 655 -8.942 12.967 2.771 1200 1HG2 THR 655 1HG2 THR 655 -8.683 9.924 1.342 1201 2HG2 THR 655 2HG2 THR 655 -7.089 10.549 0.955 1202 3HG2 THR 655 3HG2 THR 655 -8.324 10.450 -0.304 1203 H VAL 656 H VAL 656 -6.603 13.248 -1.900 1204 HA VAL 656 HA VAL 656 -8.926 13.405 -3.626 1205 HB VAL 656 HB VAL 656 -7.278 13.854 -5.448 1206 1HG1 VAL 656 1HG1 VAL 656 -8.290 15.716 -4.228 1207 2HG1 VAL 656 2HG1 VAL 656 -6.626 16.097 -4.669 1208 3HG1 VAL 656 3HG1 VAL 656 -7.013 15.628 -3.014 1209 1HG2 VAL 656 1HG2 VAL 656 -5.244 13.850 -3.217 1210 2HG2 VAL 656 2HG2 VAL 656 -4.941 14.289 -4.900 1211 3HG2 VAL 656 3HG2 VAL 656 -5.376 12.630 -4.482 1212 H ASP 657 H ASP 657 -8.839 12.125 -5.681 1213 HA ASP 657 HA ASP 657 -7.950 9.383 -5.068 1214 1HB ASP 657 1HB ASP 657 -10.361 10.304 -6.656 1215 2HB ASP 657 2HB ASP 657 -9.793 8.644 -6.636 Start of MODEL 14 1 1H HIS 501 1H HIS 501 -7.596 -16.945 -6.926 2 HA HIS 501 HA HIS 501 -7.745 -16.316 -4.378 3 1HB HIS 501 1HB HIS 501 -8.132 -18.555 -3.585 4 2HB HIS 501 2HB HIS 501 -6.781 -19.180 -4.524 5 HD1 HIS 501 HD1 HIS 501 -5.358 -20.068 -2.575 6 HD2 HIS 501 HD2 HIS 501 -6.392 -16.069 -2.148 7 HE1 HIS 501 HE1 HIS 501 -3.997 -19.200 -0.645 8 H ALA 502 H ALA 502 -6.360 -14.881 -4.397 9 HA ALA 502 HA ALA 502 -3.570 -15.507 -4.788 10 1HB ALA 502 1HB ALA 502 -4.222 -14.592 -6.953 11 2HB ALA 502 2HB ALA 502 -3.239 -13.420 -6.033 12 3HB ALA 502 3HB ALA 502 -4.988 -13.227 -6.124 13 H GLY 503 H GLY 503 -5.719 -12.722 -4.376 14 1HA GLY 503 1HA GLY 503 -6.047 -12.304 -1.906 15 2HA GLY 503 2HA GLY 503 -4.294 -12.137 -1.901 16 H ILE 504 H ILE 504 -6.961 -10.501 -1.817 17 HA ILE 504 HA ILE 504 -6.095 -8.274 -3.469 18 HB ILE 504 HB ILE 504 -8.539 -8.621 -1.699 19 1HG1 ILE 504 1HG1 ILE 504 -9.799 -8.347 -3.924 20 2HG1 ILE 504 2HG1 ILE 504 -8.253 -8.601 -4.713 21 1HG2 ILE 504 1HG2 ILE 504 -7.831 -6.305 -1.676 22 2HG2 ILE 504 2HG2 ILE 504 -9.366 -6.481 -2.518 23 3HG2 ILE 504 3HG2 ILE 504 -7.878 -6.247 -3.436 24 1HD1 ILE 504 1HD1 ILE 504 -8.121 -10.830 -3.716 25 2HD1 ILE 504 2HD1 ILE 504 -9.600 -10.632 -4.660 26 3HD1 ILE 504 3HD1 ILE 504 -9.659 -10.556 -2.901 27 H PHE 505 H PHE 505 -4.309 -7.487 -2.460 28 HA PHE 505 HA PHE 505 -4.649 -6.594 0.320 29 1HB PHE 505 1HB PHE 505 -2.155 -7.132 -1.289 30 2HB PHE 505 2HB PHE 505 -2.137 -6.479 0.350 31 HD1 PHE 505 HD1 PHE 505 -3.062 -7.917 2.210 32 HD2 PHE 505 HD2 PHE 505 -2.284 -9.439 -1.686 33 HE1 PHE 505 HE1 PHE 505 -3.070 -10.206 3.106 34 HE2 PHE 505 HE2 PHE 505 -2.292 -11.731 -0.797 35 HZ PHE 505 HZ PHE 505 -2.685 -12.116 1.602 36 H THR 506 H THR 506 -5.082 -4.438 0.390 37 HA THR 506 HA THR 506 -3.730 -2.631 -1.424 38 HB THR 506 HB THR 506 -5.792 -3.365 -2.645 39 HG1 THR 506 HG1 THR 506 -6.332 -0.723 -1.929 40 1HG2 THR 506 1HG2 THR 506 -8.016 -2.668 -1.839 41 2HG2 THR 506 2HG2 THR 506 -7.287 -2.084 -0.345 42 3HG2 THR 506 3HG2 THR 506 -7.259 -3.806 -0.722 43 H PHE 507 H PHE 507 -4.140 -0.371 -0.739 44 HA PHE 507 HA PHE 507 -4.348 -0.123 2.160 45 1HB PHE 507 1HB PHE 507 -4.042 1.987 0.015 46 2HB PHE 507 2HB PHE 507 -3.909 2.249 1.742 47 HD1 PHE 507 HD1 PHE 507 -2.047 0.770 2.905 48 HD2 PHE 507 HD2 PHE 507 -2.142 1.798 -1.215 49 HE1 PHE 507 HE1 PHE 507 0.383 0.480 2.779 50 HE2 PHE 507 HE2 PHE 507 0.290 1.491 -1.352 51 HZ PHE 507 HZ PHE 507 1.557 0.831 0.659 52 H GLU 508 H GLU 508 -5.905 1.056 3.196 53 HA GLU 508 HA GLU 508 -8.479 0.941 1.967 54 1HB GLU 508 1HB GLU 508 -7.921 0.688 4.478 55 2HB GLU 508 2HB GLU 508 -7.855 2.446 4.500 56 1HG GLU 508 1HG GLU 508 -10.126 2.525 3.608 57 2HG GLU 508 2HG GLU 508 -10.157 0.764 3.662 58 H GLU 509 H GLU 509 -6.020 3.289 2.273 59 HA GLU 509 HA GLU 509 -7.627 5.201 0.813 60 1HB GLU 509 1HB GLU 509 -6.733 7.019 2.242 61 2HB GLU 509 2HB GLU 509 -7.778 5.919 3.127 62 1HG GLU 509 1HG GLU 509 -5.743 4.778 3.997 63 2HG GLU 509 2HG GLU 509 -4.771 6.008 3.191 64 HA PRO 510 HA PRO 510 -3.649 5.237 -1.285 65 1HB PRO 510 1HB PRO 510 -4.327 6.785 -3.342 66 2HB PRO 510 2HB PRO 510 -4.970 5.146 -3.191 67 1HG PRO 510 1HG PRO 510 -6.273 7.756 -2.529 68 2HG PRO 510 2HG PRO 510 -6.952 6.346 -3.364 69 1HD PRO 510 1HD PRO 510 -7.347 6.904 -0.708 70 2HD PRO 510 2HD PRO 510 -7.431 5.277 -1.403 71 H VAL 511 H VAL 511 -5.053 7.672 0.475 72 HA VAL 511 HA VAL 511 -2.678 9.360 0.400 73 HB VAL 511 HB VAL 511 -5.500 10.494 0.020 74 1HG1 VAL 511 1HG1 VAL 511 -2.941 11.963 0.451 75 2HG1 VAL 511 2HG1 VAL 511 -4.292 11.846 1.578 76 3HG1 VAL 511 3HG1 VAL 511 -4.494 12.694 0.042 77 1HG2 VAL 511 1HG2 VAL 511 -4.733 11.436 -2.029 78 2HG2 VAL 511 2HG2 VAL 511 -4.377 9.700 -2.066 79 3HG2 VAL 511 3HG2 VAL 511 -3.102 10.880 -1.725 80 H THR 512 H THR 512 -2.182 10.039 2.405 81 HA THR 512 HA THR 512 -4.247 10.073 4.427 82 HB THR 512 HB THR 512 -3.102 7.781 4.457 83 HG1 THR 512 HG1 THR 512 -3.904 7.996 6.280 84 1HG2 THR 512 1HG2 THR 512 -0.830 8.486 3.919 85 2HG2 THR 512 2HG2 THR 512 -0.857 7.620 5.464 86 3HG2 THR 512 3HG2 THR 512 -0.730 9.376 5.440 87 H HIS 513 H HIS 513 -3.833 11.710 5.962 88 HA HIS 513 HA HIS 513 -1.433 13.305 5.421 89 1HB HIS 513 1HB HIS 513 -4.146 14.164 6.444 90 2HB HIS 513 2HB HIS 513 -2.742 15.225 6.449 91 HD1 HIS 513 HD1 HIS 513 -3.374 16.947 4.663 92 HD2 HIS 513 HD2 HIS 513 -4.082 13.027 3.458 93 HE1 HIS 513 HE1 HIS 513 -3.977 17.040 2.214 94 H VAL 514 H VAL 514 -0.141 13.791 7.072 95 HA VAL 514 HA VAL 514 -0.897 12.666 9.675 96 HB VAL 514 HB VAL 514 1.339 11.711 9.967 97 1HG1 VAL 514 1HG1 VAL 514 -0.060 10.733 7.484 98 2HG1 VAL 514 2HG1 VAL 514 -0.355 10.199 9.142 99 3HG1 VAL 514 3HG1 VAL 514 1.182 9.836 8.347 100 1HG2 VAL 514 1HG2 VAL 514 2.913 11.534 8.089 101 2HG2 VAL 514 2HG2 VAL 514 2.563 13.228 8.485 102 3HG2 VAL 514 3HG2 VAL 514 1.808 12.481 7.089 103 H SER 515 H SER 515 0.376 13.425 11.398 104 HA SER 515 HA SER 515 0.909 16.222 11.211 105 1HB SER 515 1HB SER 515 -0.154 15.191 13.199 106 2HB SER 515 2HB SER 515 1.274 14.215 13.465 107 HG SER 515 HG SER 515 0.846 16.918 13.879 108 H GLU 516 H GLU 516 2.976 17.124 11.527 109 HA GLU 516 HA GLU 516 5.112 15.397 10.619 110 1HB GLU 516 1HB GLU 516 4.688 17.723 9.692 111 2HB GLU 516 2HB GLU 516 5.133 18.327 11.255 112 1HG GLU 516 1HG GLU 516 7.375 17.545 11.036 113 2HG GLU 516 2HG GLU 516 6.972 16.685 9.547 114 H SER 517 H SER 517 3.738 16.232 13.473 115 HA SER 517 HA SER 517 6.204 16.211 15.035 116 1HB SER 517 1HB SER 517 4.524 18.013 15.412 117 2HB SER 517 2HB SER 517 3.330 16.785 15.800 118 HG SER 517 HG SER 517 5.755 17.197 17.230 119 H ILE 518 H ILE 518 4.256 14.034 13.665 120 HA ILE 518 HA ILE 518 3.523 12.378 15.906 121 HB ILE 518 HB ILE 518 2.243 12.569 13.697 122 1HG1 ILE 518 1HG1 ILE 518 2.961 9.773 14.549 123 2HG1 ILE 518 2HG1 ILE 518 1.853 10.823 15.431 124 1HG2 ILE 518 1HG2 ILE 518 4.414 10.691 12.766 125 2HG2 ILE 518 2HG2 ILE 518 4.112 12.318 12.157 126 3HG2 ILE 518 3HG2 ILE 518 2.920 11.046 11.895 127 1HD1 ILE 518 1HD1 ILE 518 0.466 10.985 13.505 128 2HD1 ILE 518 2HD1 ILE 518 0.654 9.287 14.016 129 3HD1 ILE 518 3HD1 ILE 518 1.537 9.916 12.604 130 H GLY 519 H GLY 519 4.407 10.315 16.358 131 1HA GLY 519 1HA GLY 519 7.200 10.066 15.646 132 2HA GLY 519 2HA GLY 519 6.325 9.064 16.807 133 H ILE 520 H ILE 520 4.594 7.695 15.837 134 HA ILE 520 HA ILE 520 5.554 6.524 13.329 135 HB ILE 520 HB ILE 520 4.191 5.235 15.700 136 1HG1 ILE 520 1HG1 ILE 520 6.614 5.491 15.952 137 2HG1 ILE 520 2HG1 ILE 520 6.184 3.794 15.784 138 1HG2 ILE 520 1HG2 ILE 520 4.766 3.952 13.040 139 2HG2 ILE 520 2HG2 ILE 520 3.181 4.344 13.685 140 3HG2 ILE 520 3HG2 ILE 520 4.177 3.115 14.479 141 1HD1 ILE 520 1HD1 ILE 520 8.170 4.237 14.509 142 2HD1 ILE 520 2HD1 ILE 520 7.388 5.585 13.695 143 3HD1 ILE 520 3HD1 ILE 520 6.838 3.943 13.378 144 H MET 521 H MET 521 4.258 6.671 11.705 145 HA MET 521 HA MET 521 1.359 7.062 12.171 146 1HB MET 521 1HB MET 521 1.204 7.950 9.930 147 2HB MET 521 2HB MET 521 2.551 8.773 10.700 148 1HG MET 521 1HG MET 521 4.117 7.362 9.529 149 2HG MET 521 2HG MET 521 2.792 6.433 8.827 150 1HE MET 521 1HE MET 521 3.413 6.670 6.446 151 2HE MET 521 2HE MET 521 4.925 7.533 6.802 152 3HE MET 521 3HE MET 521 3.781 8.172 5.622 153 H GLU 522 H GLU 522 -0.062 5.630 11.336 154 HA GLU 522 HA GLU 522 1.127 3.280 10.085 155 1HB GLU 522 1HB GLU 522 -1.065 3.496 12.090 156 2HB GLU 522 2HB GLU 522 -0.808 2.051 11.132 157 1HG GLU 522 1HG GLU 522 1.404 1.819 12.054 158 2HG GLU 522 2HG GLU 522 1.195 3.303 12.999 159 H VAL 523 H VAL 523 -0.104 2.172 8.613 160 HA VAL 523 HA VAL 523 -2.341 3.628 7.391 161 HB VAL 523 HB VAL 523 -0.139 2.188 5.897 162 1HG1 VAL 523 1HG1 VAL 523 -2.294 2.252 4.750 163 2HG1 VAL 523 2HG1 VAL 523 -1.096 3.228 3.911 164 3HG1 VAL 523 3HG1 VAL 523 -2.332 4.009 4.899 165 1HG2 VAL 523 1HG2 VAL 523 -0.505 5.169 6.200 166 2HG2 VAL 523 2HG2 VAL 523 0.758 4.346 5.272 167 3HG2 VAL 523 3HG2 VAL 523 0.717 4.206 7.024 168 H LYS 524 H LYS 524 -3.964 2.260 6.727 169 HA LYS 524 HA LYS 524 -3.800 -0.467 7.705 170 1HB LYS 524 1HB LYS 524 -6.072 1.270 6.846 171 2HB LYS 524 2HB LYS 524 -6.281 -0.425 7.246 172 1HG LYS 524 1HG LYS 524 -4.954 1.444 9.147 173 2HG LYS 524 2HG LYS 524 -6.721 1.312 9.111 174 1HD LYS 524 1HD LYS 524 -6.540 -1.079 9.548 175 2HD LYS 524 2HD LYS 524 -4.782 -0.974 9.525 176 1HE LYS 524 1HE LYS 524 -5.763 -1.083 11.781 177 2HE LYS 524 2HE LYS 524 -4.785 0.355 11.521 178 1HZ LYS 524 1HZ LYS 524 -6.866 0.775 12.693 179 2HZ LYS 524 2HZ LYS 524 -7.765 0.284 11.356 180 3HZ LYS 524 3HZ LYS 524 -6.768 1.656 11.271 181 H VAL 525 H VAL 525 -3.600 -2.126 6.540 182 HA VAL 525 HA VAL 525 -4.118 -2.042 3.632 183 HB VAL 525 HB VAL 525 -2.399 -4.052 5.117 184 1HG1 VAL 525 1HG1 VAL 525 -3.264 -4.837 2.975 185 2HG1 VAL 525 2HG1 VAL 525 -1.516 -4.590 2.892 186 3HG1 VAL 525 3HG1 VAL 525 -2.609 -3.400 2.185 187 1HG2 VAL 525 1HG2 VAL 525 -0.447 -2.853 4.257 188 2HG2 VAL 525 2HG2 VAL 525 -1.421 -1.880 5.366 189 3HG2 VAL 525 3HG2 VAL 525 -1.517 -1.594 3.628 190 H LEU 526 H LEU 526 -5.792 -3.201 3.014 191 HA LEU 526 HA LEU 526 -7.346 -4.542 5.003 192 1HB LEU 526 1HB LEU 526 -7.858 -4.206 2.055 193 2HB LEU 526 2HB LEU 526 -8.947 -5.022 3.147 194 HG LEU 526 HG LEU 526 -9.811 -2.858 2.745 195 1HD1 LEU 526 1HD1 LEU 526 -8.523 -2.834 5.456 196 2HD1 LEU 526 2HD1 LEU 526 -10.051 -3.600 5.022 197 3HD1 LEU 526 3HD1 LEU 526 -9.890 -1.846 4.938 198 1HD2 LEU 526 1HD2 LEU 526 -8.583 -0.823 3.168 199 2HD2 LEU 526 2HD2 LEU 526 -7.816 -1.799 1.915 200 3HD2 LEU 526 3HD2 LEU 526 -7.142 -1.760 3.547 201 H ARG 527 H ARG 527 -7.886 -6.536 5.190 202 HA ARG 527 HA ARG 527 -6.228 -8.583 4.114 203 1HB ARG 527 1HB ARG 527 -7.017 -8.975 6.331 204 2HB ARG 527 2HB ARG 527 -8.659 -8.528 5.907 205 1HG ARG 527 1HG ARG 527 -8.697 -10.856 6.230 206 2HG ARG 527 2HG ARG 527 -8.731 -10.619 4.488 207 1HD ARG 527 1HD ARG 527 -7.219 -12.353 4.747 208 2HD ARG 527 2HD ARG 527 -6.170 -10.944 4.644 209 HE ARG 527 HE ARG 527 -5.603 -11.210 6.856 210 1HH1 ARG 527 1HH1 ARG 527 -8.242 -13.454 6.044 211 2HH1 ARG 527 2HH1 ARG 527 -8.000 -14.454 7.379 212 1HH2 ARG 527 1HH2 ARG 527 -5.316 -12.576 8.739 213 2HH2 ARG 527 2HH2 ARG 527 -6.341 -13.932 8.947 214 H THR 528 H THR 528 -6.548 -9.725 2.421 215 HA THR 528 HA THR 528 -8.382 -9.328 0.422 216 HB THR 528 HB THR 528 -6.338 -10.386 -0.058 217 HG1 THR 528 HG1 THR 528 -7.383 -12.720 -0.604 218 1HG2 THR 528 1HG2 THR 528 -5.847 -11.384 2.095 219 2HG2 THR 528 2HG2 THR 528 -5.697 -12.598 0.822 220 3HG2 THR 528 3HG2 THR 528 -7.134 -12.564 1.847 221 H SER 529 H SER 529 -10.008 -10.780 -0.404 222 HA SER 529 HA SER 529 -12.063 -11.460 1.377 223 1HB SER 529 1HB SER 529 -12.373 -10.855 -1.013 224 2HB SER 529 2HB SER 529 -11.562 -12.344 -1.480 225 HG SER 529 HG SER 529 -13.676 -12.790 0.211 226 H GLY 530 H GLY 530 -9.488 -13.313 -0.175 227 1HA GLY 530 1HA GLY 530 -10.021 -15.518 1.647 228 2HA GLY 530 2HA GLY 530 -9.825 -15.828 -0.078 229 H ALA 531 H ALA 531 -8.262 -15.867 2.727 230 HA ALA 531 HA ALA 531 -5.638 -15.611 1.427 231 1HB ALA 531 1HB ALA 531 -6.365 -14.866 4.272 232 2HB ALA 531 2HB ALA 531 -5.926 -13.734 2.999 233 3HB ALA 531 3HB ALA 531 -4.734 -14.880 3.611 234 H ARG 532 H ARG 532 -4.893 -17.641 1.285 235 HA ARG 532 HA ARG 532 -5.378 -19.378 3.604 236 1HB ARG 532 1HB ARG 532 -5.011 -20.391 0.765 237 2HB ARG 532 2HB ARG 532 -5.476 -21.325 2.173 238 1HG ARG 532 1HG ARG 532 -7.138 -19.226 0.784 239 2HG ARG 532 2HG ARG 532 -7.385 -20.970 0.724 240 1HD ARG 532 1HD ARG 532 -7.937 -21.021 3.061 241 2HD ARG 532 2HD ARG 532 -7.492 -19.327 3.245 242 HE ARG 532 HE ARG 532 -9.644 -20.046 1.414 243 1HH1 ARG 532 1HH1 ARG 532 -8.597 -18.409 4.385 244 2HH1 ARG 532 2HH1 ARG 532 -10.074 -17.621 4.651 245 1HH2 ARG 532 1HH2 ARG 532 -11.689 -18.947 1.782 246 2HH2 ARG 532 2HH2 ARG 532 -11.910 -17.924 3.105 247 H GLY 533 H GLY 533 -3.500 -18.764 4.579 248 1HA GLY 533 1HA GLY 533 -1.342 -19.961 4.879 249 2HA GLY 533 2HA GLY 533 -1.030 -19.546 3.194 250 H ASN 534 H ASN 534 0.866 -18.686 4.654 251 HA ASN 534 HA ASN 534 0.333 -16.011 5.669 252 1HB ASN 534 1HB ASN 534 1.860 -17.672 6.844 253 2HB ASN 534 2HB ASN 534 2.959 -17.522 5.487 254 1HD2 ASN 534 1HD2 ASN 534 2.500 -14.500 5.382 255 2HD2 ASN 534 2HD2 ASN 534 3.371 -13.932 6.748 256 H VAL 535 H VAL 535 0.731 -14.202 4.468 257 HA VAL 535 HA VAL 535 2.236 -14.540 1.985 258 HB VAL 535 HB VAL 535 -0.135 -12.725 2.563 259 1HG1 VAL 535 1HG1 VAL 535 1.467 -13.026 0.022 260 2HG1 VAL 535 2HG1 VAL 535 1.470 -11.610 1.075 261 3HG1 VAL 535 3HG1 VAL 535 0.001 -12.065 0.207 262 1HG2 VAL 535 1HG2 VAL 535 0.258 -15.093 0.810 263 2HG2 VAL 535 2HG2 VAL 535 -1.181 -14.065 0.747 264 3HG2 VAL 535 3HG2 VAL 535 -0.808 -14.999 2.211 265 H ILE 536 H ILE 536 3.772 -13.076 1.552 266 HA ILE 536 HA ILE 536 4.366 -11.112 3.656 267 HB ILE 536 HB ILE 536 6.213 -12.384 1.606 268 1HG1 ILE 536 1HG1 ILE 536 5.678 -13.893 3.410 269 2HG1 ILE 536 2HG1 ILE 536 7.338 -13.331 3.598 270 1HG2 ILE 536 1HG2 ILE 536 8.029 -11.172 2.704 271 2HG2 ILE 536 2HG2 ILE 536 6.852 -10.384 3.753 272 3HG2 ILE 536 3HG2 ILE 536 6.847 -10.052 2.020 273 1HD1 ILE 536 1HD1 ILE 536 6.222 -13.374 5.743 274 2HD1 ILE 536 2HD1 ILE 536 4.925 -12.370 5.090 275 3HD1 ILE 536 3HD1 ILE 536 6.539 -11.696 5.262 276 H VAL 537 H VAL 537 4.147 -9.088 3.209 277 HA VAL 537 HA VAL 537 3.772 -8.363 0.391 278 HB VAL 537 HB VAL 537 2.651 -6.846 2.761 279 1HG1 VAL 537 1HG1 VAL 537 1.206 -5.756 1.112 280 2HG1 VAL 537 2HG1 VAL 537 2.027 -6.640 -0.174 281 3HG1 VAL 537 3HG1 VAL 537 2.918 -5.473 0.803 282 1HG2 VAL 537 1HG2 VAL 537 0.453 -7.814 2.207 283 2HG2 VAL 537 2HG2 VAL 537 1.609 -9.051 2.699 284 3HG2 VAL 537 3HG2 VAL 537 1.218 -8.844 0.996 285 HA PRO 538 HA PRO 538 7.479 -5.924 1.474 286 1HB PRO 538 1HB PRO 538 8.331 -5.521 -1.058 287 2HB PRO 538 2HB PRO 538 8.600 -7.052 -0.220 288 1HG PRO 538 1HG PRO 538 6.556 -6.350 -2.274 289 2HG PRO 538 2HG PRO 538 7.469 -7.852 -2.067 290 1HD PRO 538 1HD PRO 538 4.868 -7.491 -1.254 291 2HD PRO 538 2HD PRO 538 5.972 -8.688 -0.551 292 H TYR 539 H TYR 539 7.834 -3.729 1.501 293 HA TYR 539 HA TYR 539 6.227 -2.019 -0.217 294 1HB TYR 539 1HB TYR 539 5.462 -0.635 1.670 295 2HB TYR 539 2HB TYR 539 4.846 -2.276 1.784 296 HD1 TYR 539 HD1 TYR 539 5.563 -3.749 3.547 297 HD2 TYR 539 HD2 TYR 539 7.098 0.203 3.285 298 HE1 TYR 539 HE1 TYR 539 6.415 -3.931 5.839 299 HE2 TYR 539 HE2 TYR 539 7.954 0.036 5.568 300 HH TYR 539 HH TYR 539 7.623 -1.243 7.578 301 H LYS 540 H LYS 540 6.913 0.242 -0.052 302 HA LYS 540 HA LYS 540 9.565 0.709 1.026 303 1HB LYS 540 1HB LYS 540 10.495 1.422 -1.100 304 2HB LYS 540 2HB LYS 540 10.035 -0.273 -1.162 305 1HG LYS 540 1HG LYS 540 8.082 0.238 -2.453 306 2HG LYS 540 2HG LYS 540 8.339 1.970 -2.236 307 1HD LYS 540 1HD LYS 540 10.462 1.764 -3.391 308 2HD LYS 540 2HD LYS 540 10.122 0.060 -3.726 309 1HE LYS 540 1HE LYS 540 8.080 0.738 -4.947 310 2HE LYS 540 2HE LYS 540 8.471 2.423 -4.598 311 1HZ LYS 540 1HZ LYS 540 9.147 1.838 -6.853 312 2HZ LYS 540 2HZ LYS 540 10.100 0.584 -6.283 313 3HZ LYS 540 3HZ LYS 540 10.517 2.162 -5.913 314 H THR 541 H THR 541 10.066 2.904 1.166 315 HA THR 541 HA THR 541 7.872 4.756 0.713 316 HB THR 541 HB THR 541 9.517 6.339 1.928 317 HG1 THR 541 HG1 THR 541 11.403 5.204 2.045 318 1HG2 THR 541 1HG2 THR 541 8.796 5.551 4.144 319 2HG2 THR 541 2HG2 THR 541 8.282 4.028 3.424 320 3HG2 THR 541 3HG2 THR 541 7.474 5.530 2.977 321 H ILE 542 H ILE 542 7.896 6.026 -0.982 322 HA ILE 542 HA ILE 542 10.372 6.419 -2.472 323 HB ILE 542 HB ILE 542 7.540 7.284 -3.165 324 1HG1 ILE 542 1HG1 ILE 542 7.840 5.606 -5.121 325 2HG1 ILE 542 2HG1 ILE 542 9.156 4.940 -4.169 326 1HG2 ILE 542 1HG2 ILE 542 8.381 7.826 -5.398 327 2HG2 ILE 542 2HG2 ILE 542 10.019 7.461 -4.853 328 3HG2 ILE 542 3HG2 ILE 542 9.125 8.801 -4.130 329 1HD1 ILE 542 1HD1 ILE 542 7.604 4.393 -2.383 330 2HD1 ILE 542 2HD1 ILE 542 7.048 3.688 -3.911 331 3HD1 ILE 542 3HD1 ILE 542 6.294 5.149 -3.282 332 H GLU 543 H GLU 543 11.488 8.214 -2.009 333 HA GLU 543 HA GLU 543 10.828 10.008 0.026 334 1HB GLU 543 1HB GLU 543 12.797 10.389 -2.224 335 2HB GLU 543 2HB GLU 543 12.721 11.367 -0.772 336 1HG GLU 543 1HG GLU 543 13.247 9.400 0.575 337 2HG GLU 543 2HG GLU 543 13.339 8.427 -0.897 338 H GLY 544 H GLY 544 10.780 10.564 -3.466 339 1HA GLY 544 1HA GLY 544 9.526 11.990 -4.727 340 2HA GLY 544 2HA GLY 544 8.515 12.267 -3.314 341 H THR 545 H THR 545 8.743 14.054 -2.204 342 HA THR 545 HA THR 545 10.841 15.920 -3.070 343 HB THR 545 HB THR 545 8.558 16.675 -3.621 344 HG1 THR 545 HG1 THR 545 10.238 18.102 -2.001 345 1HG2 THR 545 1HG2 THR 545 6.986 17.265 -1.817 346 2HG2 THR 545 2HG2 THR 545 8.094 16.505 -0.663 347 3HG2 THR 545 3HG2 THR 545 7.316 15.534 -1.910 348 H ALA 546 H ALA 546 10.006 13.945 -0.551 349 HA ALA 546 HA ALA 546 11.161 15.631 1.520 350 1HB ALA 546 1HB ALA 546 10.011 12.850 1.654 351 2HB ALA 546 2HB ALA 546 9.148 14.338 2.052 352 3HB ALA 546 3HB ALA 546 10.520 13.822 3.035 353 H ARG 547 H ARG 547 12.802 14.367 3.000 354 HA ARG 547 HA ARG 547 14.685 12.959 1.287 355 1HB ARG 547 1HB ARG 547 15.487 15.176 2.025 356 2HB ARG 547 2HB ARG 547 15.185 14.727 3.695 357 1HG ARG 547 1HG ARG 547 17.552 14.613 3.136 358 2HG ARG 547 2HG ARG 547 16.918 13.021 3.574 359 1HD ARG 547 1HD ARG 547 16.654 12.551 1.204 360 2HD ARG 547 2HD ARG 547 17.411 14.119 0.857 361 HE ARG 547 HE ARG 547 19.153 12.795 2.512 362 1HH1 ARG 547 1HH1 ARG 547 17.851 12.194 -0.725 363 2HH1 ARG 547 2HH1 ARG 547 19.184 11.303 -1.268 364 1HH2 ARG 547 1HH2 ARG 547 21.015 11.545 1.763 365 2HH2 ARG 547 2HH2 ARG 547 21.050 10.938 0.189 366 H GLY 548 H GLY 548 14.905 10.882 1.818 367 1HA GLY 548 1HA GLY 548 13.799 9.918 4.328 368 2HA GLY 548 2HA GLY 548 14.367 8.935 2.989 369 H GLY 549 H GLY 549 15.497 7.605 4.434 370 1HA GLY 549 1HA GLY 549 17.464 6.855 5.326 371 2HA GLY 549 2HA GLY 549 18.194 8.368 4.838 372 H GLY 550 H GLY 550 15.419 8.662 6.866 373 1HA GLY 550 1HA GLY 550 15.236 9.002 9.143 374 2HA GLY 550 2HA GLY 550 16.955 8.654 9.306 375 H GLU 551 H GLU 551 15.819 10.904 6.955 376 HA GLU 551 HA GLU 551 17.240 13.016 8.381 377 1HB GLU 551 1HB GLU 551 17.771 12.376 5.978 378 2HB GLU 551 2HB GLU 551 16.212 13.057 5.562 379 1HG GLU 551 1HG GLU 551 17.975 14.608 5.125 380 2HG GLU 551 2HG GLU 551 16.913 15.221 6.392 381 H ASP 552 H ASP 552 14.405 13.043 6.179 382 HA ASP 552 HA ASP 552 13.107 14.906 8.062 383 1HB ASP 552 1HB ASP 552 13.400 15.175 5.344 384 2HB ASP 552 2HB ASP 552 11.850 14.354 5.409 385 H PHE 553 H PHE 553 12.971 11.844 6.521 386 HA PHE 553 HA PHE 553 11.071 10.979 8.498 387 1HB PHE 553 1HB PHE 553 9.594 9.850 6.990 388 2HB PHE 553 2HB PHE 553 9.725 11.502 6.425 389 HD1 PHE 553 HD1 PHE 553 10.252 8.023 5.673 390 HD2 PHE 553 HD2 PHE 553 11.034 11.978 4.349 391 HE1 PHE 553 HE1 PHE 553 10.760 7.159 3.432 392 HE2 PHE 553 HE2 PHE 553 11.552 11.122 2.095 393 HZ PHE 553 HZ PHE 553 11.412 8.701 1.641 394 H GLU 554 H GLU 554 11.099 8.638 8.709 395 HA GLU 554 HA GLU 554 13.760 7.579 8.263 396 1HB GLU 554 1HB GLU 554 12.268 7.530 10.413 397 2HB GLU 554 2HB GLU 554 11.399 6.271 9.587 398 1HG GLU 554 1HG GLU 554 14.317 6.179 10.332 399 2HG GLU 554 2HG GLU 554 13.014 5.441 11.241 400 H ASP 555 H ASP 555 14.104 6.422 6.455 401 HA ASP 555 HA ASP 555 11.934 5.854 4.643 402 1HB ASP 555 1HB ASP 555 14.121 6.666 3.834 403 2HB ASP 555 2HB ASP 555 14.883 5.189 4.413 404 H THR 556 H THR 556 11.045 3.893 4.241 405 HA THR 556 HA THR 556 12.218 1.682 5.663 406 HB THR 556 HB THR 556 10.579 2.568 7.218 407 HG1 THR 556 HG1 THR 556 10.760 0.339 7.123 408 1HG2 THR 556 1HG2 THR 556 9.086 3.763 5.798 409 2HG2 THR 556 2HG2 THR 556 8.163 2.539 6.678 410 3HG2 THR 556 3HG2 THR 556 8.597 2.280 4.974 411 H CYS 557 H CYS 557 12.564 0.143 4.313 412 HA CYS 557 HA CYS 557 10.480 -0.576 2.433 413 1HB CYS 557 1HB CYS 557 12.349 -1.322 0.876 414 2HB CYS 557 2HB CYS 557 12.163 0.418 1.033 415 HG CYS 557 HG CYS 557 14.358 -1.179 3.012 416 H GLY 558 H GLY 558 9.670 -2.325 3.363 417 1HA GLY 558 1HA GLY 558 11.468 -4.419 4.164 418 2HA GLY 558 2HA GLY 558 10.426 -3.728 5.410 419 H GLU 559 H GLU 559 9.445 -5.790 5.568 420 HA GLU 559 HA GLU 559 7.475 -6.234 3.471 421 1HB GLU 559 1HB GLU 559 9.354 -8.209 4.692 422 2HB GLU 559 2HB GLU 559 7.925 -8.684 3.758 423 1HG GLU 559 1HG GLU 559 8.833 -7.694 1.792 424 2HG GLU 559 2HG GLU 559 10.164 -6.968 2.693 425 H LEU 560 H LEU 560 5.543 -6.736 4.219 426 HA LEU 560 HA LEU 560 5.068 -6.835 7.106 427 1HB LEU 560 1HB LEU 560 3.187 -6.664 4.759 428 2HB LEU 560 2HB LEU 560 2.705 -6.645 6.436 429 HG LEU 560 HG LEU 560 4.417 -4.525 5.155 430 1HD1 LEU 560 1HD1 LEU 560 1.457 -4.570 5.727 431 2HD1 LEU 560 2HD1 LEU 560 2.215 -4.568 4.135 432 3HD1 LEU 560 3HD1 LEU 560 2.380 -3.168 5.191 433 1HD2 LEU 560 1HD2 LEU 560 3.826 -3.246 7.171 434 2HD2 LEU 560 2HD2 LEU 560 4.705 -4.723 7.566 435 3HD2 LEU 560 3HD2 LEU 560 2.961 -4.653 7.796 436 H GLU 561 H GLU 561 4.457 -8.674 8.086 437 HA GLU 561 HA GLU 561 4.106 -11.035 6.443 438 1HB GLU 561 1HB GLU 561 5.670 -11.101 8.390 439 2HB GLU 561 2HB GLU 561 4.320 -10.765 9.458 440 1HG GLU 561 1HG GLU 561 3.291 -12.890 8.845 441 2HG GLU 561 2HG GLU 561 4.616 -13.199 7.721 442 H PHE 562 H PHE 562 2.084 -10.993 5.620 443 HA PHE 562 HA PHE 562 -0.167 -10.382 7.406 444 1HB PHE 562 1HB PHE 562 0.358 -9.411 4.923 445 2HB PHE 562 2HB PHE 562 -0.559 -10.858 4.508 446 HD1 PHE 562 HD1 PHE 562 -0.908 -7.532 4.718 447 HD2 PHE 562 HD2 PHE 562 -2.745 -11.011 6.374 448 HE1 PHE 562 HE1 PHE 562 -2.981 -6.263 5.114 449 HE2 PHE 562 HE2 PHE 562 -4.803 -9.713 6.756 450 HZ PHE 562 HZ PHE 562 -4.915 -7.365 6.118 451 H GLN 563 H GLN 563 -0.883 -12.181 8.286 452 HA GLN 563 HA GLN 563 -0.399 -14.709 6.917 453 1HB GLN 563 1HB GLN 563 -1.194 -14.181 9.769 454 2HB GLN 563 2HB GLN 563 -0.737 -15.737 9.122 455 1HG GLN 563 1HG GLN 563 1.499 -14.794 8.577 456 2HG GLN 563 2HG GLN 563 1.011 -13.309 9.390 457 1HE2 GLN 563 1HE2 GLN 563 1.922 -16.580 9.750 458 2HE2 GLN 563 2HE2 GLN 563 2.113 -16.565 11.469 459 H ASN 564 H ASN 564 -2.172 -16.442 7.315 460 HA ASN 564 HA ASN 564 -4.689 -15.334 6.530 461 1HB ASN 564 1HB ASN 564 -5.485 -17.568 6.251 462 2HB ASN 564 2HB ASN 564 -3.829 -17.537 5.682 463 1HD2 ASN 564 1HD2 ASN 564 -6.011 -18.748 8.086 464 2HD2 ASN 564 2HD2 ASN 564 -4.934 -19.893 8.780 465 H ASP 565 H ASP 565 -3.156 -16.045 9.375 466 HA ASP 565 HA ASP 565 -5.625 -16.102 10.951 467 1HB ASP 565 1HB ASP 565 -3.760 -17.639 11.550 468 2HB ASP 565 2HB ASP 565 -2.763 -16.227 11.891 469 H GLU 566 H GLU 566 -2.570 -14.310 10.892 470 HA GLU 566 HA GLU 566 -3.381 -12.101 12.433 471 1HB GLU 566 1HB GLU 566 -0.995 -12.676 11.921 472 2HB GLU 566 2HB GLU 566 -1.286 -12.227 10.249 473 1HG GLU 566 1HG GLU 566 -0.092 -10.502 11.517 474 2HG GLU 566 2HG GLU 566 -1.618 -9.944 10.835 475 H ILE 567 H ILE 567 -4.309 -10.080 11.811 476 HA ILE 567 HA ILE 567 -5.389 -10.111 9.128 477 HB ILE 567 HB ILE 567 -7.104 -8.552 9.971 478 1HG1 ILE 567 1HG1 ILE 567 -6.206 -9.168 12.778 479 2HG1 ILE 567 2HG1 ILE 567 -5.572 -7.776 11.913 480 1HG2 ILE 567 1HG2 ILE 567 -7.616 -10.917 9.900 481 2HG2 ILE 567 2HG2 ILE 567 -8.416 -10.152 11.275 482 3HG2 ILE 567 3HG2 ILE 567 -6.969 -11.127 11.527 483 1HD1 ILE 567 1HD1 ILE 567 -7.813 -6.921 11.635 484 2HD1 ILE 567 2HD1 ILE 567 -7.431 -7.158 13.348 485 3HD1 ILE 567 3HD1 ILE 567 -8.475 -8.311 12.505 486 H VAL 568 H VAL 568 -6.019 -7.662 8.826 487 HA VAL 568 HA VAL 568 -4.800 -5.934 7.747 488 HB VAL 568 HB VAL 568 -6.697 -5.606 9.343 489 1HG1 VAL 568 1HG1 VAL 568 -5.655 -5.756 11.414 490 2HG1 VAL 568 2HG1 VAL 568 -6.309 -4.101 11.252 491 3HG1 VAL 568 3HG1 VAL 568 -4.578 -4.420 10.999 492 1HG2 VAL 568 1HG2 VAL 568 -6.216 -3.990 7.613 493 2HG2 VAL 568 2HG2 VAL 568 -4.933 -3.281 8.578 494 3HG2 VAL 568 3HG2 VAL 568 -6.612 -3.118 9.094 495 H LYS 569 H LYS 569 -3.028 -5.016 7.435 496 HA LYS 569 HA LYS 569 -1.042 -5.003 9.579 497 1HB LYS 569 1HB LYS 569 -0.610 -5.321 6.630 498 2HB LYS 569 2HB LYS 569 0.688 -4.849 7.711 499 1HG LYS 569 1HG LYS 569 -0.910 -7.398 7.869 500 2HG LYS 569 2HG LYS 569 0.730 -7.244 7.239 501 1HD LYS 569 1HD LYS 569 -0.157 -6.745 10.099 502 2HD LYS 569 2HD LYS 569 0.774 -8.116 9.513 503 1HE LYS 569 1HE LYS 569 2.593 -6.597 8.868 504 2HE LYS 569 2HE LYS 569 1.647 -5.241 9.481 505 1HZ LYS 569 1HZ LYS 569 3.245 -5.923 11.132 506 2HZ LYS 569 2HZ LYS 569 2.724 -7.498 11.066 507 3HZ LYS 569 3HZ LYS 569 1.713 -6.317 11.692 508 H THR 570 H THR 570 0.251 -3.281 9.860 509 HA THR 570 HA THR 570 -0.638 -0.880 8.497 510 HB THR 570 HB THR 570 0.061 0.304 10.658 511 HG1 THR 570 HG1 THR 570 0.240 -0.791 12.461 512 1HG2 THR 570 1HG2 THR 570 -2.113 -0.005 11.715 513 2HG2 THR 570 2HG2 THR 570 -2.410 -1.436 10.721 514 3HG2 THR 570 3HG2 THR 570 -2.273 0.159 9.968 515 H ILE 571 H ILE 571 0.902 0.174 7.480 516 HA ILE 571 HA ILE 571 3.641 -0.611 7.943 517 HB ILE 571 HB ILE 571 2.594 1.550 6.037 518 1HG1 ILE 571 1HG1 ILE 571 3.409 -0.072 4.251 519 2HG1 ILE 571 2HG1 ILE 571 3.498 -1.285 5.519 520 1HG2 ILE 571 1HG2 ILE 571 4.849 2.006 6.795 521 2HG2 ILE 571 2HG2 ILE 571 4.808 1.576 5.084 522 3HG2 ILE 571 3HG2 ILE 571 5.361 0.399 6.276 523 1HD1 ILE 571 1HD1 ILE 571 1.469 -1.433 4.175 524 2HD1 ILE 571 2HD1 ILE 571 1.015 0.194 4.714 525 3HD1 ILE 571 3HD1 ILE 571 1.140 -1.125 5.877 526 H SER 572 H SER 572 4.437 0.104 9.770 527 HA SER 572 HA SER 572 3.690 2.648 10.817 528 1HB SER 572 1HB SER 572 5.288 1.834 12.651 529 2HB SER 572 2HB SER 572 3.822 0.889 12.387 530 HG SER 572 HG SER 572 6.471 0.312 11.829 531 H VAL 573 H VAL 573 4.653 4.388 10.085 532 HA VAL 573 HA VAL 573 7.471 4.202 9.270 533 HB VAL 573 HB VAL 573 5.387 6.148 8.230 534 1HG1 VAL 573 1HG1 VAL 573 7.622 7.155 8.257 535 2HG1 VAL 573 2HG1 VAL 573 7.092 6.857 6.603 536 3HG1 VAL 573 3HG1 VAL 573 8.263 5.777 7.361 537 1HG2 VAL 573 1HG2 VAL 573 5.001 3.936 7.365 538 2HG2 VAL 573 2HG2 VAL 573 6.694 3.793 6.888 539 3HG2 VAL 573 3HG2 VAL 573 5.647 4.960 6.079 540 H LYS 574 H LYS 574 8.846 5.580 10.099 541 HA LYS 574 HA LYS 574 7.943 7.175 12.375 542 1HB LYS 574 1HB LYS 574 9.670 5.545 12.809 543 2HB LYS 574 2HB LYS 574 10.667 6.193 11.525 544 1HG LYS 574 1HG LYS 574 10.985 8.240 12.775 545 2HG LYS 574 2HG LYS 574 9.950 7.654 14.070 546 1HD LYS 574 1HD LYS 574 11.498 5.758 14.410 547 2HD LYS 574 2HD LYS 574 12.537 6.401 13.138 548 1HE LYS 574 1HE LYS 574 13.421 7.036 15.291 549 2HE LYS 574 2HE LYS 574 12.812 8.459 14.446 550 1HZ LYS 574 1HZ LYS 574 10.799 8.339 15.799 551 2HZ LYS 574 2HZ LYS 574 12.165 8.511 16.729 552 3HZ LYS 574 3HZ LYS 574 11.416 7.011 16.638 553 H VAL 575 H VAL 575 7.780 9.275 12.250 554 HA VAL 575 HA VAL 575 9.039 10.708 10.038 555 HB VAL 575 HB VAL 575 7.025 11.699 12.108 556 1HG1 VAL 575 1HG1 VAL 575 6.785 13.681 10.677 557 2HG1 VAL 575 2HG1 VAL 575 8.052 13.068 9.614 558 3HG1 VAL 575 3HG1 VAL 575 8.439 13.524 11.272 559 1HG2 VAL 575 1HG2 VAL 575 6.657 10.969 9.202 560 2HG2 VAL 575 2HG2 VAL 575 5.422 11.677 10.243 561 3HG2 VAL 575 3HG2 VAL 575 6.049 10.068 10.591 562 H ILE 576 H ILE 576 10.683 12.152 10.355 563 HA ILE 576 HA ILE 576 12.058 11.830 12.905 564 HB ILE 576 HB ILE 576 13.078 12.977 10.269 565 1HG1 ILE 576 1HG1 ILE 576 12.424 10.644 10.003 566 2HG1 ILE 576 2HG1 ILE 576 14.163 10.798 9.891 567 1HG2 ILE 576 1HG2 ILE 576 14.647 12.020 12.669 568 2HG2 ILE 576 2HG2 ILE 576 14.420 13.703 12.197 569 3HG2 ILE 576 3HG2 ILE 576 15.328 12.609 11.151 570 1HD1 ILE 576 1HD1 ILE 576 12.551 9.718 12.192 571 2HD1 ILE 576 2HD1 ILE 576 14.292 10.030 12.249 572 3HD1 ILE 576 3HD1 ILE 576 13.646 8.855 11.099 573 H ASP 577 H ASP 577 13.097 13.707 13.858 574 HA ASP 577 HA ASP 577 11.546 15.936 14.402 575 1HB ASP 577 1HB ASP 577 13.422 15.314 15.798 576 2HB ASP 577 2HB ASP 577 14.547 15.566 14.473 577 H ASP 578 H ASP 578 10.949 17.583 13.137 578 HA ASP 578 HA ASP 578 12.331 17.892 10.624 579 1HB ASP 578 1HB ASP 578 9.850 17.668 10.697 580 2HB ASP 578 2HB ASP 578 9.804 19.238 11.511 581 H GLU 579 H GLU 579 12.928 19.899 9.769 582 HA GLU 579 HA GLU 579 13.837 21.807 11.802 583 1HB GLU 579 1HB GLU 579 15.956 21.908 10.674 584 2HB GLU 579 2HB GLU 579 15.589 20.253 11.124 585 1HG GLU 579 1HG GLU 579 15.243 21.384 8.337 586 2HG GLU 579 2HG GLU 579 16.652 20.487 8.877 587 H GLU 580 H GLU 580 12.397 21.474 8.543 588 HA GLU 580 HA GLU 580 13.285 24.226 8.040 589 1HB GLU 580 1HB GLU 580 13.589 23.855 5.716 590 2HB GLU 580 2HB GLU 580 14.364 22.511 6.519 591 1HG GLU 580 1HG GLU 580 11.673 22.430 5.128 592 2HG GLU 580 2HG GLU 580 13.188 21.846 4.462 593 H TYR 581 H TYR 581 11.990 25.216 6.159 594 HA TYR 581 HA TYR 581 9.354 25.714 6.959 595 1HB TYR 581 1HB TYR 581 9.137 26.987 4.892 596 2HB TYR 581 2HB TYR 581 10.748 27.267 5.526 597 HD1 TYR 581 HD1 TYR 581 12.713 26.406 4.349 598 HD2 TYR 581 HD2 TYR 581 8.791 25.694 2.879 599 HE1 TYR 581 HE1 TYR 581 13.648 25.656 2.206 600 HE2 TYR 581 HE2 TYR 581 9.680 24.943 0.773 601 HH TYR 581 HH TYR 581 13.061 24.346 0.359 602 H GLU 582 H GLU 582 7.380 25.122 5.826 603 HA GLU 582 HA GLU 582 7.641 22.431 4.761 604 1HB GLU 582 1HB GLU 582 6.022 23.100 6.600 605 2HB GLU 582 2HB GLU 582 5.053 23.836 5.325 606 1HG GLU 582 1HG GLU 582 4.176 21.649 5.730 607 2HG GLU 582 2HG GLU 582 5.039 21.584 4.192 608 H LYS 583 H LYS 583 6.642 21.815 2.994 609 HA LYS 583 HA LYS 583 5.727 23.710 0.994 610 1HB LYS 583 1HB LYS 583 7.094 22.459 -0.687 611 2HB LYS 583 2HB LYS 583 8.105 23.279 0.493 612 1HG LYS 583 1HG LYS 583 8.410 21.154 1.703 613 2HG LYS 583 2HG LYS 583 7.405 20.346 0.502 614 1HD LYS 583 1HD LYS 583 9.716 19.927 -0.029 615 2HD LYS 583 2HD LYS 583 9.017 21.019 -1.228 616 1HE LYS 583 1HE LYS 583 10.060 22.929 -0.116 617 2HE LYS 583 2HE LYS 583 10.746 21.860 1.105 618 1HZ LYS 583 1HZ LYS 583 12.016 20.769 -0.679 619 2HZ LYS 583 2HZ LYS 583 12.384 22.394 -0.571 620 3HZ LYS 583 3HZ LYS 583 11.389 21.850 -1.805 621 H ASN 584 H ASN 584 4.877 21.810 -0.857 622 HA ASN 584 HA ASN 584 3.315 20.059 0.817 623 1HB ASN 584 1HB ASN 584 2.271 20.868 -1.302 624 2HB ASN 584 2HB ASN 584 3.523 20.013 -2.215 625 1HD2 ASN 584 1HD2 ASN 584 1.943 18.707 -3.275 626 2HD2 ASN 584 2HD2 ASN 584 1.135 17.454 -2.414 627 H LYS 585 H LYS 585 4.578 18.710 1.873 628 HA LYS 585 HA LYS 585 6.636 17.394 0.371 629 1HB LYS 585 1HB LYS 585 7.616 18.828 1.966 630 2HB LYS 585 2HB LYS 585 6.520 18.341 3.258 631 1HG LYS 585 1HG LYS 585 8.563 16.506 2.029 632 2HG LYS 585 2HG LYS 585 8.991 17.658 3.290 633 1HD LYS 585 1HD LYS 585 6.877 15.561 3.490 634 2HD LYS 585 2HD LYS 585 8.508 15.360 4.147 635 1HE LYS 585 1HE LYS 585 6.345 17.307 5.050 636 2HE LYS 585 2HE LYS 585 7.050 15.979 5.964 637 1HZ LYS 585 1HZ LYS 585 9.211 17.267 5.856 638 2HZ LYS 585 2HZ LYS 585 7.969 17.921 6.796 639 3HZ LYS 585 3HZ LYS 585 8.260 18.587 5.295 640 H THR 586 H THR 586 6.056 15.541 -0.137 641 HA THR 586 HA THR 586 4.618 13.867 1.689 642 HB THR 586 HB THR 586 2.867 14.967 0.539 643 HG1 THR 586 HG1 THR 586 2.700 12.709 0.711 644 1HG2 THR 586 1HG2 THR 586 4.031 15.890 -1.374 645 2HG2 THR 586 2HG2 THR 586 2.583 15.009 -1.873 646 3HG2 THR 586 3HG2 THR 586 4.181 14.270 -2.084 647 H PHE 587 H PHE 587 4.883 11.809 1.334 648 HA PHE 587 HA PHE 587 6.671 11.023 -0.763 649 1HB PHE 587 1HB PHE 587 7.646 9.351 0.994 650 2HB PHE 587 2HB PHE 587 8.256 10.989 0.927 651 HD1 PHE 587 HD1 PHE 587 5.828 8.851 2.771 652 HD2 PHE 587 HD2 PHE 587 8.352 12.247 2.825 653 HE1 PHE 587 HE1 PHE 587 5.478 9.109 5.243 654 HE2 PHE 587 HE2 PHE 587 8.014 12.487 5.239 655 HZ PHE 587 HZ PHE 587 6.572 10.904 6.439 656 H PHE 588 H PHE 588 6.563 8.721 -1.164 657 HA PHE 588 HA PHE 588 3.709 8.001 -0.965 658 1HB PHE 588 1HB PHE 588 5.591 7.134 -3.158 659 2HB PHE 588 2HB PHE 588 3.837 7.085 -3.135 660 HD1 PHE 588 HD1 PHE 588 6.698 8.960 -4.048 661 HD2 PHE 588 HD2 PHE 588 2.587 9.322 -3.057 662 HE1 PHE 588 HE1 PHE 588 6.653 11.191 -5.087 663 HE2 PHE 588 HE2 PHE 588 2.528 11.552 -4.108 664 HZ PHE 588 HZ PHE 588 4.564 12.484 -5.113 665 H LEU 589 H LEU 589 3.188 6.050 -0.288 666 HA LEU 589 HA LEU 589 5.381 4.183 0.353 667 1HB LEU 589 1HB LEU 589 3.745 5.151 2.189 668 2HB LEU 589 2HB LEU 589 2.587 4.054 1.481 669 HG LEU 589 HG LEU 589 3.485 3.123 3.494 670 1HD1 LEU 589 1HD1 LEU 589 4.477 1.639 1.092 671 2HD1 LEU 589 2HD1 LEU 589 2.914 1.472 1.913 672 3HD1 LEU 589 3HD1 LEU 589 4.400 0.987 2.726 673 1HD2 LEU 589 1HD2 LEU 589 5.858 2.539 3.703 674 2HD2 LEU 589 2HD2 LEU 589 5.528 4.270 3.612 675 3HD2 LEU 589 3HD2 LEU 589 6.167 3.423 2.204 676 H GLU 590 H GLU 590 5.383 2.422 -0.883 677 HA GLU 590 HA GLU 590 2.868 1.665 -2.193 678 1HB GLU 590 1HB GLU 590 4.252 2.733 -3.879 679 2HB GLU 590 2HB GLU 590 5.616 1.710 -3.452 680 1HG GLU 590 1HG GLU 590 4.327 -0.265 -4.175 681 2HG GLU 590 2HG GLU 590 3.013 0.796 -4.667 682 H ILE 591 H ILE 591 2.319 -0.314 -1.911 683 HA ILE 591 HA ILE 591 4.249 -2.220 -0.895 684 HB ILE 591 HB ILE 591 2.230 -3.750 -0.729 685 1HG1 ILE 591 1HG1 ILE 591 0.693 -1.200 -1.306 686 2HG1 ILE 591 2HG1 ILE 591 0.772 -2.614 -2.345 687 1HG2 ILE 591 1HG2 ILE 591 1.278 -2.647 1.284 688 2HG2 ILE 591 2HG2 ILE 591 2.254 -1.224 0.903 689 3HG2 ILE 591 3HG2 ILE 591 3.029 -2.770 1.253 690 1HD1 ILE 591 1HD1 ILE 591 -1.330 -2.499 -1.128 691 2HD1 ILE 591 2HD1 ILE 591 -0.451 -2.495 0.399 692 3HD1 ILE 591 3HD1 ILE 591 -0.399 -3.921 -0.644 693 H GLY 592 H GLY 592 4.939 -3.862 -2.114 694 1HA GLY 592 1HA GLY 592 4.540 -3.527 -4.982 695 2HA GLY 592 2HA GLY 592 5.757 -4.537 -4.208 696 H GLU 593 H GLU 593 5.312 -6.359 -5.412 697 HA GLU 593 HA GLU 593 2.610 -7.360 -5.283 698 1HB GLU 593 1HB GLU 593 3.996 -7.619 -7.389 699 2HB GLU 593 2HB GLU 593 5.025 -8.722 -6.490 700 1HG GLU 593 1HG GLU 593 3.049 -10.142 -6.042 701 2HG GLU 593 2HG GLU 593 2.101 -9.087 -7.084 702 HA PRO 594 HA PRO 594 3.681 -9.489 -1.518 703 1HB PRO 594 1HB PRO 594 1.374 -10.901 -1.302 704 2HB PRO 594 2HB PRO 594 1.452 -9.164 -0.970 705 1HG PRO 594 1HG PRO 594 0.629 -10.552 -3.494 706 2HG PRO 594 2HG PRO 594 -0.255 -9.270 -2.667 707 1HD PRO 594 1HD PRO 594 1.252 -8.755 -4.747 708 2HD PRO 594 2HD PRO 594 1.248 -7.641 -3.359 709 H ARG 595 H ARG 595 4.012 -11.743 -0.845 710 HA ARG 595 HA ARG 595 4.013 -13.615 -3.091 711 1HB ARG 595 1HB ARG 595 6.176 -14.537 -2.535 712 2HB ARG 595 2HB ARG 595 6.356 -12.808 -2.758 713 1HG ARG 595 1HG ARG 595 6.615 -12.436 -0.445 714 2HG ARG 595 2HG ARG 595 6.045 -14.060 -0.043 715 1HD ARG 595 1HD ARG 595 8.052 -14.958 -1.260 716 2HD ARG 595 2HD ARG 595 8.626 -13.298 -1.402 717 HE ARG 595 HE ARG 595 8.901 -13.203 0.931 718 1HH1 ARG 595 1HH1 ARG 595 8.122 -16.493 -0.226 719 2HH1 ARG 595 2HH1 ARG 595 8.759 -17.247 1.141 720 1HH2 ARG 595 1HH2 ARG 595 9.745 -14.294 2.795 721 2HH2 ARG 595 2HH2 ARG 595 9.689 -15.992 2.915 722 H LEU 596 H LEU 596 3.592 -15.726 -2.565 723 HA LEU 596 HA LEU 596 2.258 -16.047 -0.010 724 1HB LEU 596 1HB LEU 596 1.850 -17.034 -2.565 725 2HB LEU 596 2HB LEU 596 2.563 -18.404 -1.740 726 HG LEU 596 HG LEU 596 0.296 -18.783 -1.540 727 1HD1 LEU 596 1HD1 LEU 596 1.318 -19.020 0.615 728 2HD1 LEU 596 2HD1 LEU 596 -0.361 -18.503 0.769 729 3HD1 LEU 596 3HD1 LEU 596 0.946 -17.341 1.012 730 1HD2 LEU 596 1HD2 LEU 596 -1.376 -17.064 -0.917 731 2HD2 LEU 596 2HD2 LEU 596 -0.546 -16.745 -2.437 732 3HD2 LEU 596 3HD2 LEU 596 -0.094 -15.849 -0.993 733 H VAL 597 H VAL 597 3.273 -17.038 1.677 734 HA VAL 597 HA VAL 597 6.041 -17.715 1.430 735 HB VAL 597 HB VAL 597 4.150 -18.254 3.757 736 1HG1 VAL 597 1HG1 VAL 597 7.167 -18.366 3.671 737 2HG1 VAL 597 2HG1 VAL 597 6.086 -19.748 3.844 738 3HG1 VAL 597 3HG1 VAL 597 6.174 -18.527 5.118 739 1HG2 VAL 597 1HG2 VAL 597 5.228 -16.311 4.782 740 2HG2 VAL 597 2HG2 VAL 597 4.429 -15.889 3.264 741 3HG2 VAL 597 3HG2 VAL 597 6.184 -16.077 3.318 742 H GLU 598 H GLU 598 3.099 -19.576 1.612 743 HA GLU 598 HA GLU 598 4.629 -21.967 0.910 744 1HB GLU 598 1HB GLU 598 2.733 -23.267 1.787 745 2HB GLU 598 2HB GLU 598 3.432 -22.248 3.034 746 1HG GLU 598 1HG GLU 598 1.629 -20.656 2.789 747 2HG GLU 598 2HG GLU 598 0.957 -21.600 1.460 748 H MET 599 H MET 599 3.767 -23.219 -0.803 749 HA MET 599 HA MET 599 2.248 -21.540 -2.521 750 1HB MET 599 1HB MET 599 3.810 -23.997 -3.010 751 2HB MET 599 2HB MET 599 2.467 -23.656 -4.102 752 1HG MET 599 1HG MET 599 4.722 -21.780 -3.445 753 2HG MET 599 2HG MET 599 4.521 -22.685 -4.951 754 1HE MET 599 1HE MET 599 4.827 -19.454 -4.632 755 2HE MET 599 2HE MET 599 3.682 -18.909 -5.865 756 3HE MET 599 3HE MET 599 4.768 -20.267 -6.202 757 H SER 600 H SER 600 0.341 -21.356 -2.547 758 HA SER 600 HA SER 600 -1.611 -22.682 -1.259 759 1HB SER 600 1HB SER 600 -1.759 -21.299 -3.933 760 2HB SER 600 2HB SER 600 -3.124 -21.561 -2.832 761 HG SER 600 HG SER 600 -1.952 -19.455 -2.786 762 H GLU 601 H GLU 601 -2.102 -24.776 -1.359 763 HA GLU 601 HA GLU 601 -1.612 -26.303 -3.697 764 1HB GLU 601 1HB GLU 601 -2.740 -27.025 -1.019 765 2HB GLU 601 2HB GLU 601 -2.822 -28.147 -2.366 766 1HG GLU 601 1HG GLU 601 -0.293 -26.919 -1.318 767 2HG GLU 601 2HG GLU 601 -0.884 -28.531 -0.906 768 H LYS 602 H LYS 602 -2.867 -25.048 -5.051 769 HA LYS 602 HA LYS 602 -5.651 -25.912 -5.061 770 1HB LYS 602 1HB LYS 602 -6.052 -24.152 -6.713 771 2HB LYS 602 2HB LYS 602 -5.299 -23.442 -5.297 772 1HG LYS 602 1HG LYS 602 -3.152 -23.414 -6.500 773 2HG LYS 602 2HG LYS 602 -3.960 -24.085 -7.915 774 1HD LYS 602 1HD LYS 602 -5.490 -22.088 -7.853 775 2HD LYS 602 2HD LYS 602 -4.428 -21.408 -6.618 776 1HE LYS 602 1HE LYS 602 -3.680 -22.147 -9.446 777 2HE LYS 602 2HE LYS 602 -3.811 -20.522 -8.781 778 1HZ LYS 602 1HZ LYS 602 -1.535 -21.227 -8.922 779 2HZ LYS 602 2HZ LYS 602 -1.835 -22.590 -8.020 780 3HZ LYS 602 3HZ LYS 602 -1.941 -21.056 -7.291 781 H LYS 603 H LYS 603 -6.118 -27.485 -6.500 782 HA LYS 603 HA LYS 603 -3.775 -28.497 -7.756 783 1HB LYS 603 1HB LYS 603 -5.169 -30.034 -6.491 784 2HB LYS 603 2HB LYS 603 -6.503 -29.754 -7.606 785 1HG LYS 603 1HG LYS 603 -5.335 -30.785 -9.404 786 2HG LYS 603 2HG LYS 603 -3.839 -30.828 -8.478 787 1HD LYS 603 1HD LYS 603 -6.346 -32.344 -7.759 788 2HD LYS 603 2HD LYS 603 -4.983 -33.031 -8.637 789 1HE LYS 603 1HE LYS 603 -4.943 -31.941 -5.810 790 2HE LYS 603 2HE LYS 603 -4.856 -33.624 -6.297 791 1HZ LYS 603 1HZ LYS 603 -2.715 -33.111 -7.421 792 2HZ LYS 603 2HZ LYS 603 -2.672 -32.866 -5.772 793 3HZ LYS 603 3HZ LYS 603 -2.758 -31.552 -6.788 794 H GLY 604 H GLY 604 -3.292 -27.283 -9.322 795 1HA GLY 604 1HA GLY 604 -5.093 -27.233 -11.635 796 2HA GLY 604 2HA GLY 604 -3.667 -26.202 -11.410 797 H GLY 605 H GLY 605 -1.727 -27.644 -10.726 798 1HA GLY 605 1HA GLY 605 -0.183 -29.229 -11.208 799 2HA GLY 605 2HA GLY 605 -1.490 -30.244 -11.799 800 H PHE 606 H PHE 606 -0.716 -27.061 -13.018 801 HA PHE 606 HA PHE 606 0.023 -28.385 -15.536 802 1HB PHE 606 1HB PHE 606 -2.237 -27.029 -15.321 803 2HB PHE 606 2HB PHE 606 -1.153 -25.645 -15.448 804 HD1 PHE 606 HD1 PHE 606 -2.448 -28.594 -17.195 805 HD2 PHE 606 HD2 PHE 606 -0.136 -25.047 -17.529 806 HE1 PHE 606 HE1 PHE 606 -2.468 -28.822 -19.636 807 HE2 PHE 606 HE2 PHE 606 -0.151 -25.268 -19.975 808 HZ PHE 606 HZ PHE 606 -1.314 -27.154 -21.032 809 H THR 607 H THR 607 1.497 -27.051 -16.893 810 HA THR 607 HA THR 607 3.519 -25.865 -15.227 811 HB THR 607 HB THR 607 4.754 -25.977 -17.471 812 HG1 THR 607 HG1 THR 607 3.072 -26.280 -18.880 813 1HG2 THR 607 1HG2 THR 607 5.148 -27.559 -15.629 814 2HG2 THR 607 2HG2 THR 607 5.192 -28.398 -17.181 815 3HG2 THR 607 3HG2 THR 607 3.766 -28.519 -16.152 816 H ILE 608 H ILE 608 4.773 -24.070 -16.597 817 HA ILE 608 HA ILE 608 2.808 -22.073 -17.443 818 HB ILE 608 HB ILE 608 5.660 -21.527 -16.453 819 1HG1 ILE 608 1HG1 ILE 608 3.121 -21.469 -14.796 820 2HG1 ILE 608 2HG1 ILE 608 4.370 -22.701 -14.679 821 1HG2 ILE 608 1HG2 ILE 608 4.643 -19.664 -17.674 822 2HG2 ILE 608 2HG2 ILE 608 4.701 -19.266 -15.956 823 3HG2 ILE 608 3HG2 ILE 608 3.187 -19.788 -16.687 824 1HD1 ILE 608 1HD1 ILE 608 4.703 -19.772 -14.059 825 2HD1 ILE 608 2HD1 ILE 608 5.962 -21.000 -13.933 826 3HD1 ILE 608 3HD1 ILE 608 4.546 -21.078 -12.882 827 H THR 609 H THR 609 4.194 -20.476 -19.097 828 HA THR 609 HA THR 609 4.601 -22.031 -21.390 829 HB THR 609 HB THR 609 5.264 -19.114 -21.029 830 HG1 THR 609 HG1 THR 609 2.685 -20.286 -21.372 831 1HG2 THR 609 1HG2 THR 609 4.281 -18.949 -23.254 832 2HG2 THR 609 2HG2 THR 609 3.890 -20.665 -23.243 833 3HG2 THR 609 3HG2 THR 609 5.578 -20.145 -23.273 834 H GLU 610 H GLU 610 6.677 -22.370 -19.187 835 HA GLU 610 HA GLU 610 8.848 -22.769 -18.885 836 1HB GLU 610 1HB GLU 610 8.561 -22.948 -21.793 837 2HB GLU 610 2HB GLU 610 10.168 -23.204 -21.079 838 1HG GLU 610 1HG GLU 610 7.622 -24.739 -20.593 839 2HG GLU 610 2HG GLU 610 9.074 -25.324 -21.412 840 H GLU 611 H GLU 611 8.018 -19.850 -19.456 841 HA GLU 611 HA GLU 611 10.651 -18.915 -20.035 842 1HB GLU 611 1HB GLU 611 9.364 -16.625 -19.922 843 2HB GLU 611 2HB GLU 611 9.279 -17.673 -21.334 844 1HG GLU 611 1HG GLU 611 7.097 -16.799 -20.861 845 2HG GLU 611 2HG GLU 611 7.158 -18.535 -20.557 846 H TYR 612 H TYR 612 11.018 -16.710 -18.591 847 HA TYR 612 HA TYR 612 11.069 -17.914 -15.960 848 1HB TYR 612 1HB TYR 612 12.881 -15.853 -17.167 849 2HB TYR 612 2HB TYR 612 12.895 -16.248 -15.448 850 HD1 TYR 612 HD1 TYR 612 12.952 -18.865 -14.981 851 HD2 TYR 612 HD2 TYR 612 14.405 -16.986 -18.495 852 HE1 TYR 612 HE1 TYR 612 14.413 -20.790 -15.387 853 HE2 TYR 612 HE2 TYR 612 15.876 -18.915 -18.915 854 HH TYR 612 HH TYR 612 16.889 -20.686 -17.701 855 H ASP 613 H ASP 613 10.271 -17.178 -14.288 856 HA ASP 613 HA ASP 613 8.395 -15.005 -14.353 857 1HB ASP 613 1HB ASP 613 7.899 -17.077 -13.155 858 2HB ASP 613 2HB ASP 613 9.297 -16.840 -12.123 859 H ASP 614 H ASP 614 11.356 -15.757 -12.715 860 HA ASP 614 HA ASP 614 12.892 -14.689 -11.537 861 1HB ASP 614 1HB ASP 614 14.032 -12.885 -12.600 862 2HB ASP 614 2HB ASP 614 13.535 -14.132 -13.749 863 H LYS 615 H LYS 615 10.262 -14.017 -10.724 864 HA LYS 615 HA LYS 615 9.224 -12.893 -9.044 865 1HB LYS 615 1HB LYS 615 12.066 -12.254 -8.396 866 2HB LYS 615 2HB LYS 615 10.750 -11.701 -7.353 867 1HG LYS 615 1HG LYS 615 10.117 -14.108 -7.057 868 2HG LYS 615 2HG LYS 615 11.549 -14.546 -7.990 869 1HD LYS 615 1HD LYS 615 12.988 -13.488 -6.328 870 2HD LYS 615 2HD LYS 615 11.577 -12.957 -5.416 871 1HE LYS 615 1HE LYS 615 10.951 -15.303 -5.040 872 2HE LYS 615 2HE LYS 615 12.372 -15.821 -5.946 873 1HZ LYS 615 1HZ LYS 615 12.743 -15.933 -3.581 874 2HZ LYS 615 2HZ LYS 615 12.412 -14.295 -3.381 875 3HZ LYS 615 3HZ LYS 615 13.769 -14.791 -4.263 876 H GLN 616 H GLN 616 9.610 -11.573 -11.602 877 HA GLN 616 HA GLN 616 9.931 -8.783 -11.171 878 1HB GLN 616 1HB GLN 616 8.815 -8.516 -13.377 879 2HB GLN 616 2HB GLN 616 10.085 -9.723 -13.437 880 1HG GLN 616 1HG GLN 616 8.392 -11.490 -13.300 881 2HG GLN 616 2HG GLN 616 7.129 -10.264 -13.255 882 1HE2 GLN 616 1HE2 GLN 616 7.609 -12.394 -15.183 883 2HE2 GLN 616 2HE2 GLN 616 7.732 -11.609 -16.717 884 HA PRO 617 HA PRO 617 6.221 -7.795 -8.979 885 1HB PRO 617 1HB PRO 617 5.713 -5.258 -9.887 886 2HB PRO 617 2HB PRO 617 7.009 -5.642 -8.751 887 1HG PRO 617 1HG PRO 617 7.143 -5.275 -11.722 888 2HG PRO 617 2HG PRO 617 8.211 -4.618 -10.467 889 1HD PRO 617 1HD PRO 617 8.899 -6.767 -11.902 890 2HD PRO 617 2HD PRO 617 9.320 -6.637 -10.179 891 H LEU 618 H LEU 618 4.136 -6.050 -9.850 892 HA LEU 618 HA LEU 618 2.402 -7.853 -11.004 893 1HB LEU 618 1HB LEU 618 2.228 -4.867 -10.783 894 2HB LEU 618 2HB LEU 618 0.890 -5.851 -11.348 895 HG LEU 618 HG LEU 618 0.390 -5.328 -9.136 896 1HD1 LEU 618 1HD1 LEU 618 1.646 -8.041 -9.017 897 2HD1 LEU 618 2HD1 LEU 618 0.036 -7.660 -9.612 898 3HD1 LEU 618 3HD1 LEU 618 0.430 -7.407 -7.910 899 1HD2 LEU 618 1HD2 LEU 618 1.931 -5.586 -7.239 900 2HD2 LEU 618 2HD2 LEU 618 2.533 -4.435 -8.438 901 3HD2 LEU 618 3HD2 LEU 618 3.200 -6.066 -8.370 902 H THR 619 H THR 619 2.231 -8.498 -13.067 903 HA THR 619 HA THR 619 2.687 -6.532 -15.095 904 HB THR 619 HB THR 619 4.884 -7.268 -15.085 905 HG1 THR 619 HG1 THR 619 5.068 -7.796 -17.092 906 1HG2 THR 619 1HG2 THR 619 3.952 -10.156 -15.036 907 2HG2 THR 619 2HG2 THR 619 4.642 -9.278 -13.673 908 3HG2 THR 619 3HG2 THR 619 5.629 -9.612 -15.096 909 H SER 620 H SER 620 2.177 -10.086 -15.030 910 HA SER 620 HA SER 620 1.220 -11.432 -16.530 911 1HB SER 620 1HB SER 620 -1.224 -11.102 -16.840 912 2HB SER 620 2HB SER 620 -0.737 -10.934 -15.166 913 HG SER 620 HG SER 620 -0.583 -8.537 -15.991 914 H LYS 621 H LYS 621 2.647 -9.015 -17.730 915 HA LYS 621 HA LYS 621 1.120 -8.757 -20.172 916 1HB LYS 621 1HB LYS 621 2.209 -6.814 -18.728 917 2HB LYS 621 2HB LYS 621 3.635 -7.255 -19.642 918 1HG LYS 621 1HG LYS 621 2.438 -5.400 -20.675 919 2HG LYS 621 2HG LYS 621 2.494 -6.811 -21.732 920 1HD LYS 621 1HD LYS 621 0.271 -5.688 -21.683 921 2HD LYS 621 2HD LYS 621 0.188 -7.373 -21.197 922 1HE LYS 621 1HE LYS 621 0.207 -6.619 -18.816 923 2HE LYS 621 2HE LYS 621 0.180 -4.949 -19.378 924 1HZ LYS 621 1HZ LYS 621 -1.987 -5.723 -18.772 925 2HZ LYS 621 2HZ LYS 621 -1.907 -7.007 -19.848 926 3HZ LYS 621 3HZ LYS 621 -1.959 -5.415 -20.429 927 H GLU 622 H GLU 622 1.502 -10.578 -21.193 928 HA GLU 622 HA GLU 622 3.992 -10.951 -22.526 929 1HB GLU 622 1HB GLU 622 4.489 -11.886 -20.249 930 2HB GLU 622 2HB GLU 622 3.170 -13.022 -20.466 931 1HG GLU 622 1HG GLU 622 5.262 -14.107 -20.895 932 2HG GLU 622 2HG GLU 622 4.353 -13.969 -22.403 933 H GLU 623 H GLU 623 1.406 -12.982 -21.221 934 HA GLU 623 HA GLU 623 -0.047 -13.231 -23.613 935 1HB GLU 623 1HB GLU 623 2.271 -14.697 -23.642 936 2HB GLU 623 2HB GLU 623 1.197 -15.822 -22.825 937 1HG GLU 623 1HG GLU 623 0.665 -14.586 -25.512 938 2HG GLU 623 2HG GLU 623 1.364 -16.180 -25.273 939 H GLU 624 H GLU 624 -1.805 -14.906 -23.113 940 HA GLU 624 HA GLU 624 -2.844 -14.356 -20.535 941 1HB GLU 624 1HB GLU 624 -4.691 -15.845 -21.143 942 2HB GLU 624 2HB GLU 624 -4.328 -14.691 -22.419 943 1HG GLU 624 1HG GLU 624 -3.226 -16.350 -23.705 944 2HG GLU 624 2HG GLU 624 -3.323 -17.511 -22.386 945 H GLU 625 H GLU 625 -0.891 -16.914 -21.741 946 HA GLU 625 HA GLU 625 -1.467 -18.806 -19.761 947 1HB GLU 625 1HB GLU 625 1.013 -18.362 -21.388 948 2HB GLU 625 2HB GLU 625 0.833 -19.695 -20.261 949 1HG GLU 625 1HG GLU 625 -1.139 -20.452 -21.529 950 2HG GLU 625 2HG GLU 625 -0.841 -19.161 -22.695 951 H ARG 626 H ARG 626 0.533 -15.916 -19.682 952 HA ARG 626 HA ARG 626 1.779 -16.691 -17.253 953 1HB ARG 626 1HB ARG 626 1.642 -14.082 -18.661 954 2HB ARG 626 2HB ARG 626 2.130 -14.130 -16.979 955 1HG ARG 626 1HG ARG 626 3.671 -16.067 -17.906 956 2HG ARG 626 2HG ARG 626 3.551 -15.076 -19.377 957 1HD ARG 626 1HD ARG 626 5.452 -14.337 -18.074 958 2HD ARG 626 2HD ARG 626 4.139 -13.136 -18.024 959 HE ARG 626 HE ARG 626 3.824 -13.543 -15.758 960 1HH1 ARG 626 1HH1 ARG 626 6.164 -15.957 -16.964 961 2HH1 ARG 626 2HH1 ARG 626 6.533 -16.527 -15.421 962 1HH2 ARG 626 1HH2 ARG 626 4.315 -14.247 -13.791 963 2HH2 ARG 626 2HH2 ARG 626 5.485 -15.455 -13.448 964 H ARG 627 H ARG 627 -1.069 -15.004 -18.054 965 HA ARG 627 HA ARG 627 -1.864 -13.903 -15.669 966 1HB ARG 627 1HB ARG 627 -3.341 -15.081 -17.919 967 2HB ARG 627 2HB ARG 627 -4.242 -15.011 -16.416 968 1HG ARG 627 1HG ARG 627 -2.892 -12.661 -17.711 969 2HG ARG 627 2HG ARG 627 -4.609 -13.066 -17.860 970 1HD ARG 627 1HD ARG 627 -3.184 -12.629 -15.273 971 2HD ARG 627 2HD ARG 627 -4.155 -11.364 -16.076 972 HE ARG 627 HE ARG 627 -5.827 -13.462 -15.816 973 1HH1 ARG 627 1HH1 ARG 627 -3.870 -11.646 -13.470 974 2HH1 ARG 627 2HH1 ARG 627 -4.816 -12.111 -12.131 975 1HH2 ARG 627 1HH2 ARG 627 -7.137 -14.048 -13.949 976 2HH2 ARG 627 2HH2 ARG 627 -6.704 -13.464 -12.407 977 H ILE 628 H ILE 628 -1.810 -17.238 -16.448 978 HA ILE 628 HA ILE 628 -3.224 -18.139 -14.155 979 HB ILE 628 HB ILE 628 -1.468 -19.547 -16.148 980 1HG1 ILE 628 1HG1 ILE 628 -4.453 -19.435 -15.858 981 2HG1 ILE 628 2HG1 ILE 628 -3.541 -18.351 -16.903 982 1HG2 ILE 628 1HG2 ILE 628 -2.478 -21.619 -15.306 983 2HG2 ILE 628 2HG2 ILE 628 -3.350 -20.694 -14.073 984 3HG2 ILE 628 3HG2 ILE 628 -1.582 -20.767 -14.040 985 1HD1 ILE 628 1HD1 ILE 628 -2.790 -20.304 -18.199 986 2HD1 ILE 628 2HD1 ILE 628 -4.558 -20.265 -18.119 987 3HD1 ILE 628 3HD1 ILE 628 -3.646 -21.367 -17.088 988 H ALA 629 H ALA 629 0.164 -17.761 -15.010 989 HA ALA 629 HA ALA 629 1.108 -18.887 -12.584 990 1HB ALA 629 1HB ALA 629 2.517 -17.066 -14.548 991 2HB ALA 629 2HB ALA 629 2.525 -18.831 -14.576 992 3HB ALA 629 3HB ALA 629 3.303 -17.967 -13.250 993 H GLU 630 H GLU 630 0.296 -15.723 -13.751 994 HA GLU 630 HA GLU 630 1.221 -14.148 -11.603 995 1HB GLU 630 1HB GLU 630 -1.111 -13.619 -13.452 996 2HB GLU 630 2HB GLU 630 -0.275 -12.422 -12.479 997 1HG GLU 630 1HG GLU 630 1.042 -14.014 -14.670 998 2HG GLU 630 2HG GLU 630 0.324 -12.452 -14.938 999 H MET 631 H MET 631 -1.658 -16.107 -12.055 1000 HA MET 631 HA MET 631 -2.865 -15.019 -9.621 1001 1HB MET 631 1HB MET 631 -4.814 -16.351 -10.044 1002 2HB MET 631 2HB MET 631 -4.319 -15.698 -11.596 1003 1HG MET 631 1HG MET 631 -3.289 -17.837 -12.168 1004 2HG MET 631 2HG MET 631 -3.751 -18.477 -10.602 1005 1HE MET 631 1HE MET 631 -6.786 -17.346 -13.903 1006 2HE MET 631 2HE MET 631 -5.042 -17.189 -14.092 1007 3HE MET 631 3HE MET 631 -5.907 -16.136 -12.975 1008 H GLY 632 H GLY 632 -0.538 -17.149 -10.376 1009 1HA GLY 632 1HA GLY 632 -0.995 -19.094 -8.293 1010 2HA GLY 632 2HA GLY 632 0.456 -18.902 -9.283 1011 H ARG 633 H ARG 633 0.273 -16.038 -8.776 1012 HA ARG 633 HA ARG 633 1.835 -15.834 -6.322 1013 1HB ARG 633 1HB ARG 633 1.065 -13.773 -8.381 1014 2HB ARG 633 2HB ARG 633 2.249 -13.592 -7.115 1015 1HG ARG 633 1HG ARG 633 3.766 -15.058 -8.266 1016 2HG ARG 633 2HG ARG 633 2.527 -15.442 -9.478 1017 1HD ARG 633 1HD ARG 633 2.409 -13.129 -10.158 1018 2HD ARG 633 2HD ARG 633 3.525 -12.670 -8.888 1019 HE ARG 633 HE ARG 633 4.706 -14.536 -10.647 1020 1HH1 ARG 633 1HH1 ARG 633 3.852 -11.097 -10.288 1021 2HH1 ARG 633 2HH1 ARG 633 4.963 -10.531 -11.411 1022 1HH2 ARG 633 1HH2 ARG 633 6.271 -13.780 -12.118 1023 2HH2 ARG 633 2HH2 ARG 633 6.398 -12.095 -12.516 1024 HA PRO 634 HA PRO 634 -1.820 -13.627 -4.767 1025 1HB PRO 634 1HB PRO 634 -0.673 -12.271 -2.761 1026 2HB PRO 634 2HB PRO 634 -1.173 -13.948 -2.581 1027 1HG PRO 634 1HG PRO 634 1.575 -12.865 -2.948 1028 2HG PRO 634 2HG PRO 634 1.046 -14.316 -2.092 1029 1HD PRO 634 1HD PRO 634 2.176 -14.265 -4.625 1030 2HD PRO 634 2HD PRO 634 1.214 -15.601 -3.964 1031 H ILE 635 H ILE 635 -2.451 -11.356 -5.054 1032 HA ILE 635 HA ILE 635 -0.308 -9.818 -6.246 1033 HB ILE 635 HB ILE 635 -2.053 -8.995 -7.935 1034 1HG1 ILE 635 1HG1 ILE 635 -3.569 -10.839 -8.771 1035 2HG1 ILE 635 2HG1 ILE 635 -3.199 -11.733 -7.310 1036 1HG2 ILE 635 1HG2 ILE 635 -0.013 -10.090 -8.575 1037 2HG2 ILE 635 2HG2 ILE 635 -1.330 -10.739 -9.553 1038 3HG2 ILE 635 3HG2 ILE 635 -0.697 -11.671 -8.198 1039 1HD1 ILE 635 1HD1 ILE 635 -5.359 -10.653 -7.174 1040 2HD1 ILE 635 2HD1 ILE 635 -4.609 -9.084 -7.468 1041 3HD1 ILE 635 3HD1 ILE 635 -4.250 -9.966 -5.985 1042 H LEU 636 H LEU 636 -1.511 -7.608 -7.086 1043 HA LEU 636 HA LEU 636 -1.898 -6.220 -4.636 1044 1HB LEU 636 1HB LEU 636 -1.799 -4.209 -5.903 1045 2HB LEU 636 2HB LEU 636 -0.631 -5.290 -6.609 1046 HG LEU 636 HG LEU 636 -1.501 -4.219 -8.438 1047 1HD1 LEU 636 1HD1 LEU 636 -2.941 -5.679 -9.734 1048 2HD1 LEU 636 2HD1 LEU 636 -3.240 -6.606 -8.255 1049 3HD1 LEU 636 3HD1 LEU 636 -1.609 -6.524 -8.924 1050 1HD2 LEU 636 1HD2 LEU 636 -3.229 -2.926 -7.367 1051 2HD2 LEU 636 2HD2 LEU 636 -4.271 -4.345 -7.269 1052 3HD2 LEU 636 3HD2 LEU 636 -3.858 -3.661 -8.843 1053 H GLY 637 H GLY 637 -3.713 -5.048 -4.046 1054 1HA GLY 637 1HA GLY 637 -6.151 -6.420 -4.609 1055 2HA GLY 637 2HA GLY 637 -5.987 -5.061 -3.514 1056 H GLU 638 H GLU 638 -5.628 -2.913 -4.691 1057 HA GLU 638 HA GLU 638 -6.732 -2.855 -7.354 1058 1HB GLU 638 1HB GLU 638 -8.735 -2.850 -5.919 1059 2HB GLU 638 2HB GLU 638 -8.121 -1.435 -5.088 1060 1HG GLU 638 1HG GLU 638 -8.410 -0.060 -6.978 1061 2HG GLU 638 2HG GLU 638 -8.675 -1.446 -8.036 1062 H HIS 639 H HIS 639 -6.038 -0.668 -4.627 1063 HA HIS 639 HA HIS 639 -4.397 0.785 -6.535 1064 1HB HIS 639 1HB HIS 639 -4.942 2.917 -5.245 1065 2HB HIS 639 2HB HIS 639 -6.229 2.249 -6.227 1066 HD1 HIS 639 HD1 HIS 639 -5.275 2.870 -2.630 1067 HD2 HIS 639 HD2 HIS 639 -8.486 1.434 -4.834 1068 HE1 HIS 639 HE1 HIS 639 -7.246 2.847 -1.058 1069 H THR 640 H THR 640 -2.426 0.166 -6.113 1070 HA THR 640 HA THR 640 -1.598 0.174 -3.334 1071 HB THR 640 HB THR 640 0.499 -0.908 -4.253 1072 HG1 THR 640 HG1 THR 640 0.013 -0.056 -6.425 1073 1HG2 THR 640 1HG2 THR 640 -2.113 -2.299 -4.882 1074 2HG2 THR 640 2HG2 THR 640 -1.340 -2.233 -3.298 1075 3HG2 THR 640 3HG2 THR 640 -0.553 -3.090 -4.626 1076 H LYS 641 H LYS 641 -1.443 2.367 -2.982 1077 HA LYS 641 HA LYS 641 0.945 3.687 -3.626 1078 1HB LYS 641 1HB LYS 641 -0.455 3.869 -5.817 1079 2HB LYS 641 2HB LYS 641 -1.530 4.878 -4.863 1080 1HG LYS 641 1HG LYS 641 1.387 5.557 -5.210 1081 2HG LYS 641 2HG LYS 641 0.169 6.047 -6.387 1082 1HD LYS 641 1HD LYS 641 -0.991 7.196 -4.463 1083 2HD LYS 641 2HD LYS 641 0.442 6.825 -3.500 1084 1HE LYS 641 1HE LYS 641 0.607 9.089 -4.420 1085 2HE LYS 641 2HE LYS 641 1.844 8.039 -5.099 1086 1HZ LYS 641 1HZ LYS 641 -0.697 8.826 -6.437 1087 2HZ LYS 641 2HZ LYS 641 0.436 7.786 -7.094 1088 3HZ LYS 641 3HZ LYS 641 0.834 9.397 -6.829 1089 H LEU 642 H LEU 642 1.166 5.043 -1.983 1090 HA LEU 642 HA LEU 642 -1.225 6.095 -0.673 1091 1HB LEU 642 1HB LEU 642 -0.283 4.237 0.617 1092 2HB LEU 642 2HB LEU 642 1.274 5.047 0.564 1093 HG LEU 642 HG LEU 642 0.182 6.959 1.783 1094 1HD1 LEU 642 1HD1 LEU 642 -2.128 6.440 1.393 1095 2HD1 LEU 642 2HD1 LEU 642 -1.783 6.408 3.128 1096 3HD1 LEU 642 3HD1 LEU 642 -1.939 4.897 2.231 1097 1HD2 LEU 642 1HD2 LEU 642 1.730 5.482 2.861 1098 2HD2 LEU 642 2HD2 LEU 642 0.468 4.286 3.099 1099 3HD2 LEU 642 3HD2 LEU 642 0.386 5.840 3.945 1100 H GLU 643 H GLU 643 -1.090 8.193 -0.889 1101 HA GLU 643 HA GLU 643 1.510 9.505 -1.070 1102 1HB GLU 643 1HB GLU 643 -0.341 9.911 -2.762 1103 2HB GLU 643 2HB GLU 643 -1.263 10.591 -1.436 1104 1HG GLU 643 1HG GLU 643 0.309 12.377 -1.176 1105 2HG GLU 643 2HG GLU 643 1.366 11.667 -2.392 1106 H VAL 644 H VAL 644 2.265 9.905 0.956 1107 HA VAL 644 HA VAL 644 0.380 10.559 3.081 1108 HB VAL 644 HB VAL 644 3.372 10.269 3.188 1109 1HG1 VAL 644 1HG1 VAL 644 1.280 10.139 5.346 1110 2HG1 VAL 644 2HG1 VAL 644 2.340 11.501 5.008 1111 3HG1 VAL 644 3HG1 VAL 644 3.023 9.987 5.582 1112 1HG2 VAL 644 1HG2 VAL 644 1.319 8.149 3.816 1113 2HG2 VAL 644 2HG2 VAL 644 3.082 7.965 3.865 1114 3HG2 VAL 644 3HG2 VAL 644 2.260 8.224 2.339 1115 H ILE 645 H ILE 645 -0.135 12.669 3.103 1116 HA ILE 645 HA ILE 645 1.970 14.543 2.398 1117 HB ILE 645 HB ILE 645 -0.977 15.154 2.909 1118 1HG1 ILE 645 1HG1 ILE 645 -0.861 15.798 0.389 1119 2HG1 ILE 645 2HG1 ILE 645 0.595 14.833 0.355 1120 1HG2 ILE 645 1HG2 ILE 645 -0.479 17.379 2.023 1121 2HG2 ILE 645 2HG2 ILE 645 1.216 16.943 1.873 1122 3HG2 ILE 645 3HG2 ILE 645 0.471 17.038 3.476 1123 1HD1 ILE 645 1HD1 ILE 645 -0.682 12.866 1.028 1124 2HD1 ILE 645 2HD1 ILE 645 -1.329 13.575 -0.446 1125 3HD1 ILE 645 3HD1 ILE 645 -2.149 13.835 1.085 1126 H ILE 646 H ILE 646 3.108 15.484 3.880 1127 HA ILE 646 HA ILE 646 2.254 15.241 6.677 1128 HB ILE 646 HB ILE 646 5.073 15.788 5.729 1129 1HG1 ILE 646 1HG1 ILE 646 5.526 13.309 6.295 1130 2HG1 ILE 646 2HG1 ILE 646 3.798 13.082 6.054 1131 1HG2 ILE 646 1HG2 ILE 646 4.006 14.644 8.296 1132 2HG2 ILE 646 2HG2 ILE 646 4.675 16.262 8.053 1133 3HG2 ILE 646 3HG2 ILE 646 5.710 14.835 7.901 1134 1HD1 ILE 646 1HD1 ILE 646 4.015 13.937 3.785 1135 2HD1 ILE 646 2HD1 ILE 646 5.067 12.538 4.038 1136 3HD1 ILE 646 3HD1 ILE 646 5.726 14.177 4.032 1137 H GLU 647 H GLU 647 2.165 17.136 7.804 1138 HA GLU 647 HA GLU 647 2.889 19.535 6.325 1139 1HB GLU 647 1HB GLU 647 0.589 20.432 7.006 1140 2HB GLU 647 2HB GLU 647 0.693 19.328 5.649 1141 1HG GLU 647 1HG GLU 647 -1.173 18.476 6.801 1142 2HG GLU 647 2HG GLU 647 0.140 17.503 7.391 1143 H GLU 648 H GLU 648 2.925 21.493 7.610 1144 HA GLU 648 HA GLU 648 3.991 21.243 10.197 1145 1HB GLU 648 1HB GLU 648 2.538 23.664 9.067 1146 2HB GLU 648 2HB GLU 648 3.561 23.664 10.484 1147 1HG GLU 648 1HG GLU 648 4.447 23.102 7.688 1148 2HG GLU 648 2HG GLU 648 4.618 24.646 8.512 1149 H SER 649 H SER 649 2.909 20.230 11.580 1150 HA SER 649 HA SER 649 0.653 19.155 11.764 1151 1HB SER 649 1HB SER 649 1.930 20.467 14.127 1152 2HB SER 649 2HB SER 649 0.942 18.993 14.141 1153 HG SER 649 HG SER 649 3.551 19.421 13.359 1154 H TYR 650 H TYR 650 -1.095 20.155 10.877 1155 HA TYR 650 HA TYR 650 -2.610 21.845 12.725 1156 1HB TYR 650 1HB TYR 650 -1.956 23.374 10.993 1157 2HB TYR 650 2HB TYR 650 -2.351 22.215 9.727 1158 HD1 TYR 650 HD1 TYR 650 -4.648 21.907 8.994 1159 HD2 TYR 650 HD2 TYR 650 -3.747 24.581 12.176 1160 HE1 TYR 650 HE1 TYR 650 -6.922 22.797 8.862 1161 HE2 TYR 650 HE2 TYR 650 -6.024 25.492 12.050 1162 HH TYR 650 HH TYR 650 -7.833 25.651 10.227 1163 H GLU 651 H GLU 651 -2.790 19.765 9.845 1164 HA GLU 651 HA GLU 651 -5.575 19.340 10.151 1165 1HB GLU 651 1HB GLU 651 -3.566 17.817 8.503 1166 2HB GLU 651 2HB GLU 651 -5.293 17.516 8.470 1167 1HG GLU 651 1HG GLU 651 -5.577 19.919 7.768 1168 2HG GLU 651 2HG GLU 651 -3.825 19.969 7.554 1169 H PHE 652 H PHE 652 -6.706 17.546 10.872 1170 HA PHE 652 HA PHE 652 -5.188 15.557 12.268 1171 1HB PHE 652 1HB PHE 652 -5.781 17.438 13.845 1172 2HB PHE 652 2HB PHE 652 -7.473 17.117 13.478 1173 HD1 PHE 652 HD1 PHE 652 -4.413 15.393 14.697 1174 HD2 PHE 652 HD2 PHE 652 -8.648 15.699 14.867 1175 HE1 PHE 652 HE1 PHE 652 -4.454 13.742 16.519 1176 HE2 PHE 652 HE2 PHE 652 -8.699 14.048 16.682 1177 HZ PHE 652 HZ PHE 652 -6.598 13.067 17.510 1178 H LYS 653 H LYS 653 -5.952 13.719 11.693 1179 HA LYS 653 HA LYS 653 -7.281 11.996 11.058 1180 1HB LYS 653 1HB LYS 653 -9.616 13.860 11.396 1181 2HB LYS 653 2HB LYS 653 -9.688 12.107 11.272 1182 1HG LYS 653 1HG LYS 653 -8.287 13.549 13.474 1183 2HG LYS 653 2HG LYS 653 -10.003 13.213 13.570 1184 1HD LYS 653 1HD LYS 653 -8.926 11.460 14.821 1185 2HD LYS 653 2HD LYS 653 -9.412 10.729 13.302 1186 1HE LYS 653 1HE LYS 653 -7.134 10.842 12.483 1187 2HE LYS 653 2HE LYS 653 -6.635 11.745 13.922 1188 1HZ LYS 653 1HZ LYS 653 -7.162 9.755 15.226 1189 2HZ LYS 653 2HZ LYS 653 -6.019 9.451 14.046 1190 3HZ LYS 653 3HZ LYS 653 -7.589 8.927 13.818 1191 H SER 654 H SER 654 -6.548 14.470 9.263 1192 HA SER 654 HA SER 654 -8.399 14.342 7.136 1193 1HB SER 654 1HB SER 654 -5.544 15.316 7.251 1194 2HB SER 654 2HB SER 654 -6.612 15.542 5.866 1195 HG SER 654 HG SER 654 -6.785 17.315 6.965 1196 H THR 655 H THR 655 -8.793 12.528 6.164 1197 HA THR 655 HA THR 655 -6.654 10.962 5.017 1198 HB THR 655 HB THR 655 -8.065 8.930 5.841 1199 HG1 THR 655 HG1 THR 655 -8.837 10.981 7.663 1200 1HG2 THR 655 1HG2 THR 655 -5.781 9.378 6.653 1201 2HG2 THR 655 2HG2 THR 655 -6.808 8.812 7.971 1202 3HG2 THR 655 3HG2 THR 655 -6.421 10.524 7.830 1203 H VAL 656 H VAL 656 -7.614 9.560 3.265 1204 HA VAL 656 HA VAL 656 -9.954 10.975 2.212 1205 HB VAL 656 HB VAL 656 -9.275 10.303 -0.035 1206 1HG1 VAL 656 1HG1 VAL 656 -7.081 11.670 1.499 1207 2HG1 VAL 656 2HG1 VAL 656 -8.514 12.436 0.813 1208 3HG1 VAL 656 3HG1 VAL 656 -7.302 11.724 -0.249 1209 1HG2 VAL 656 1HG2 VAL 656 -7.134 9.241 -0.458 1210 2HG2 VAL 656 2HG2 VAL 656 -8.152 8.224 0.573 1211 3HG2 VAL 656 3HG2 VAL 656 -6.829 9.148 1.278 1212 H ASP 657 H ASP 657 -10.892 9.452 0.327 1213 HA ASP 657 HA ASP 657 -12.184 7.338 1.815 1214 1HB ASP 657 1HB ASP 657 -12.672 8.408 -0.970 1215 2HB ASP 657 2HB ASP 657 -13.652 7.167 -0.201 Start of MODEL 15 1 1H HIS 501 1H HIS 501 -7.531 -14.813 -10.180 2 HA HIS 501 HA HIS 501 -7.352 -12.416 -8.857 3 1HB HIS 501 1HB HIS 501 -9.815 -12.350 -9.147 4 2HB HIS 501 2HB HIS 501 -9.947 -13.937 -8.411 5 HD1 HIS 501 HD1 HIS 501 -9.781 -10.320 -7.566 6 HD2 HIS 501 HD2 HIS 501 -9.352 -13.959 -5.601 7 HE1 HIS 501 HE1 HIS 501 -10.018 -9.828 -5.128 8 H ALA 502 H ALA 502 -6.677 -12.832 -6.708 9 HA ALA 502 HA ALA 502 -6.475 -15.621 -5.869 10 1HB ALA 502 1HB ALA 502 -4.135 -13.728 -5.815 11 2HB ALA 502 2HB ALA 502 -4.346 -15.023 -6.995 12 3HB ALA 502 3HB ALA 502 -4.144 -15.407 -5.281 13 H GLY 503 H GLY 503 -5.881 -12.194 -4.997 14 1HA GLY 503 1HA GLY 503 -7.350 -12.556 -2.606 15 2HA GLY 503 2HA GLY 503 -5.640 -12.310 -2.313 16 H ILE 504 H ILE 504 -6.833 -10.491 -1.240 17 HA ILE 504 HA ILE 504 -6.949 -8.226 -3.111 18 HB ILE 504 HB ILE 504 -8.548 -8.435 -0.531 19 1HG1 ILE 504 1HG1 ILE 504 -10.552 -8.238 -2.153 20 2HG1 ILE 504 2HG1 ILE 504 -9.429 -8.789 -3.387 21 1HG2 ILE 504 1HG2 ILE 504 -7.897 -6.181 -0.999 22 2HG2 ILE 504 2HG2 ILE 504 -9.629 -6.361 -1.264 23 3HG2 ILE 504 3HG2 ILE 504 -8.526 -6.292 -2.640 24 1HD1 ILE 504 1HD1 ILE 504 -10.212 -10.280 -0.892 25 2HD1 ILE 504 2HD1 ILE 504 -9.072 -10.849 -2.113 26 3HD1 ILE 504 3HD1 ILE 504 -10.771 -10.613 -2.532 27 H PHE 505 H PHE 505 -5.130 -7.177 -2.789 28 HA PHE 505 HA PHE 505 -4.521 -6.383 -0.040 29 1HB PHE 505 1HB PHE 505 -2.518 -6.969 -2.258 30 2HB PHE 505 2HB PHE 505 -2.105 -6.268 -0.701 31 HD1 PHE 505 HD1 PHE 505 -2.297 -7.637 1.353 32 HD2 PHE 505 HD2 PHE 505 -2.858 -9.306 -2.515 33 HE1 PHE 505 HE1 PHE 505 -1.986 -9.894 2.284 34 HE2 PHE 505 HE2 PHE 505 -2.550 -11.560 -1.596 35 HZ PHE 505 HZ PHE 505 -2.113 -11.858 0.808 36 H THR 506 H THR 506 -5.250 -4.313 -0.028 37 HA THR 506 HA THR 506 -4.345 -2.528 -2.091 38 HB THR 506 HB THR 506 -6.453 -3.506 -3.004 39 HG1 THR 506 HG1 THR 506 -7.056 -0.842 -2.303 40 1HG2 THR 506 1HG2 THR 506 -8.624 -2.956 -1.981 41 2HG2 THR 506 2HG2 THR 506 -7.790 -2.219 -0.617 42 3HG2 THR 506 3HG2 THR 506 -7.644 -3.954 -0.903 43 H PHE 507 H PHE 507 -4.860 -0.271 -1.413 44 HA PHE 507 HA PHE 507 -5.181 -0.001 1.478 45 1HB PHE 507 1HB PHE 507 -4.553 2.049 -0.668 46 2HB PHE 507 2HB PHE 507 -4.678 2.399 1.048 47 HD1 PHE 507 HD1 PHE 507 -3.038 1.343 2.619 48 HD2 PHE 507 HD2 PHE 507 -2.572 1.247 -1.600 49 HE1 PHE 507 HE1 PHE 507 -0.658 0.853 2.907 50 HE2 PHE 507 HE2 PHE 507 -0.174 0.731 -1.329 51 HZ PHE 507 HZ PHE 507 0.779 0.530 0.931 52 H GLU 508 H GLU 508 -6.633 1.823 2.145 53 HA GLU 508 HA GLU 508 -9.189 1.445 0.779 54 1HB GLU 508 1HB GLU 508 -8.773 1.109 3.313 55 2HB GLU 508 2HB GLU 508 -8.644 2.851 3.366 56 1HG GLU 508 1HG GLU 508 -10.920 2.917 2.299 57 2HG GLU 508 2HG GLU 508 -10.970 1.179 2.656 58 H GLU 509 H GLU 509 -6.833 3.744 1.857 59 HA GLU 509 HA GLU 509 -8.232 5.934 0.557 60 1HB GLU 509 1HB GLU 509 -6.828 7.387 2.012 61 2HB GLU 509 2HB GLU 509 -7.929 6.359 2.909 62 1HG GLU 509 1HG GLU 509 -5.037 5.638 2.500 63 2HG GLU 509 2HG GLU 509 -5.560 6.651 3.834 64 HA PRO 510 HA PRO 510 -4.636 5.971 -2.143 65 1HB PRO 510 1HB PRO 510 -5.307 8.100 -3.635 66 2HB PRO 510 2HB PRO 510 -6.121 6.546 -3.827 67 1HG PRO 510 1HG PRO 510 -7.048 8.995 -2.370 68 2HG PRO 510 2HG PRO 510 -7.978 7.895 -3.400 69 1HD PRO 510 1HD PRO 510 -7.991 7.807 -0.658 70 2HD PRO 510 2HD PRO 510 -8.330 6.407 -1.693 71 H VAL 511 H VAL 511 -5.753 8.434 -0.013 72 HA VAL 511 HA VAL 511 -3.103 9.695 0.156 73 HB VAL 511 HB VAL 511 -5.755 11.204 -0.032 74 1HG1 VAL 511 1HG1 VAL 511 -2.996 12.261 0.412 75 2HG1 VAL 511 2HG1 VAL 511 -4.322 12.251 1.575 76 3HG1 VAL 511 3HG1 VAL 511 -4.430 13.241 0.118 77 1HG2 VAL 511 1HG2 VAL 511 -4.918 12.230 -2.030 78 2HG2 VAL 511 2HG2 VAL 511 -4.881 10.472 -2.242 79 3HG2 VAL 511 3HG2 VAL 511 -3.398 11.367 -1.887 80 H THR 512 H THR 512 -2.552 10.186 2.188 81 HA THR 512 HA THR 512 -4.646 10.240 4.171 82 HB THR 512 HB THR 512 -3.573 7.917 4.218 83 HG1 THR 512 HG1 THR 512 -4.547 8.660 6.027 84 1HG2 THR 512 1HG2 THR 512 -1.321 7.684 5.191 85 2HG2 THR 512 2HG2 THR 512 -1.174 9.427 5.272 86 3HG2 THR 512 3HG2 THR 512 -1.278 8.628 3.690 87 H HIS 513 H HIS 513 -4.268 11.715 5.778 88 HA HIS 513 HA HIS 513 -1.973 13.452 5.301 89 1HB HIS 513 1HB HIS 513 -4.706 14.022 6.462 90 2HB HIS 513 2HB HIS 513 -3.357 15.141 6.614 91 HD1 HIS 513 HD1 HIS 513 -3.007 16.724 4.725 92 HD2 HIS 513 HD2 HIS 513 -5.508 13.568 3.718 93 HE1 HIS 513 HE1 HIS 513 -3.837 17.198 2.383 94 H VAL 514 H VAL 514 -0.539 13.692 6.851 95 HA VAL 514 HA VAL 514 -1.224 12.674 9.494 96 HB VAL 514 HB VAL 514 0.916 11.545 9.724 97 1HG1 VAL 514 1HG1 VAL 514 -0.863 10.155 8.900 98 2HG1 VAL 514 2HG1 VAL 514 0.650 9.681 8.115 99 3HG1 VAL 514 3HG1 VAL 514 -0.528 10.651 7.243 100 1HG2 VAL 514 1HG2 VAL 514 2.461 11.244 7.833 101 2HG2 VAL 514 2HG2 VAL 514 2.280 12.940 8.283 102 3HG2 VAL 514 3HG2 VAL 514 1.450 12.313 6.858 103 H SER 515 H SER 515 0.136 13.518 11.130 104 HA SER 515 HA SER 515 0.826 16.263 10.595 105 1HB SER 515 1HB SER 515 -0.355 15.582 12.674 106 2HB SER 515 2HB SER 515 1.029 14.601 13.116 107 HG SER 515 HG SER 515 0.767 16.860 13.948 108 H GLU 516 H GLU 516 2.924 17.045 10.749 109 HA GLU 516 HA GLU 516 5.022 15.121 10.289 110 1HB GLU 516 1HB GLU 516 4.854 17.411 9.193 111 2HB GLU 516 2HB GLU 516 5.308 18.078 10.753 112 1HG GLU 516 1HG GLU 516 7.410 16.870 10.680 113 2HG GLU 516 2HG GLU 516 6.972 16.196 9.112 114 H SER 517 H SER 517 3.505 16.290 12.966 115 HA SER 517 HA SER 517 5.849 16.319 14.705 116 1HB SER 517 1HB SER 517 4.022 18.095 14.772 117 2HB SER 517 2HB SER 517 2.946 16.850 15.389 118 HG SER 517 HG SER 517 4.244 16.674 17.208 119 H ILE 518 H ILE 518 4.249 14.006 13.330 120 HA ILE 518 HA ILE 518 3.414 12.464 15.651 121 HB ILE 518 HB ILE 518 2.111 12.652 13.416 122 1HG1 ILE 518 1HG1 ILE 518 2.698 9.881 14.443 123 2HG1 ILE 518 2HG1 ILE 518 1.643 11.039 15.254 124 1HG2 ILE 518 1HG2 ILE 518 4.180 10.613 12.588 125 2HG2 ILE 518 2HG2 ILE 518 3.963 12.231 11.915 126 3HG2 ILE 518 3HG2 ILE 518 2.701 11.018 11.703 127 1HD1 ILE 518 1HD1 ILE 518 0.273 11.134 13.262 128 2HD1 ILE 518 2HD1 ILE 518 0.329 9.510 13.981 129 3HD1 ILE 518 3HD1 ILE 518 1.273 9.882 12.520 130 H GLY 519 H GLY 519 4.336 10.360 16.012 131 1HA GLY 519 1HA GLY 519 7.130 10.212 15.236 132 2HA GLY 519 2HA GLY 519 6.323 9.218 16.453 133 H ILE 520 H ILE 520 4.476 7.908 15.451 134 HA ILE 520 HA ILE 520 5.488 6.647 13.001 135 HB ILE 520 HB ILE 520 4.074 5.388 15.370 136 1HG1 ILE 520 1HG1 ILE 520 6.505 5.692 15.652 137 2HG1 ILE 520 2HG1 ILE 520 6.066 3.988 15.570 138 1HG2 ILE 520 1HG2 ILE 520 3.171 4.453 13.316 139 2HG2 ILE 520 2HG2 ILE 520 4.140 3.254 14.174 140 3HG2 ILE 520 3HG2 ILE 520 4.797 4.070 12.755 141 1HD1 ILE 520 1HD1 ILE 520 6.718 4.020 13.167 142 2HD1 ILE 520 2HD1 ILE 520 8.051 4.317 14.285 143 3HD1 ILE 520 3HD1 ILE 520 7.313 5.659 13.410 144 H MET 521 H MET 521 4.203 7.091 11.342 145 HA MET 521 HA MET 521 1.337 7.288 11.903 146 1HB MET 521 1HB MET 521 0.995 8.308 9.725 147 2HB MET 521 2HB MET 521 2.370 9.135 10.426 148 1HG MET 521 1HG MET 521 2.956 8.872 8.213 149 2HG MET 521 2HG MET 521 3.723 7.467 8.953 150 1HE MET 521 1HE MET 521 2.895 7.900 5.713 151 2HE MET 521 2HE MET 521 2.448 6.251 5.347 152 3HE MET 521 3HE MET 521 3.868 6.581 6.332 153 H GLU 522 H GLU 522 0.046 5.750 11.503 154 HA GLU 522 HA GLU 522 1.089 3.528 9.931 155 1HB GLU 522 1HB GLU 522 -0.767 3.430 12.286 156 2HB GLU 522 2HB GLU 522 -0.467 2.080 11.208 157 1HG GLU 522 1HG GLU 522 1.952 2.324 11.789 158 2HG GLU 522 2HG GLU 522 1.429 3.422 13.078 159 H VAL 523 H VAL 523 -0.040 2.725 8.432 160 HA VAL 523 HA VAL 523 -2.777 3.693 7.950 161 HB VAL 523 HB VAL 523 -0.800 2.724 5.880 162 1HG1 VAL 523 1HG1 VAL 523 -3.128 2.536 5.221 163 2HG1 VAL 523 2HG1 VAL 523 -2.316 3.777 4.267 164 3HG1 VAL 523 3HG1 VAL 523 -3.388 4.242 5.585 165 1HG2 VAL 523 1HG2 VAL 523 -1.433 5.594 6.526 166 2HG2 VAL 523 2HG2 VAL 523 -0.345 4.967 5.264 167 3HG2 VAL 523 3HG2 VAL 523 0.041 4.723 6.960 168 H LYS 524 H LYS 524 -4.228 2.111 7.671 169 HA LYS 524 HA LYS 524 -3.172 -0.521 8.150 170 1HB LYS 524 1HB LYS 524 -5.949 0.564 8.440 171 2HB LYS 524 2HB LYS 524 -5.568 -1.150 8.575 172 1HG LYS 524 1HG LYS 524 -3.864 -0.466 10.334 173 2HG LYS 524 2HG LYS 524 -4.653 1.103 10.316 174 1HD LYS 524 1HD LYS 524 -6.743 0.159 10.954 175 2HD LYS 524 2HD LYS 524 -6.081 -1.464 10.703 176 1HE LYS 524 1HE LYS 524 -6.219 -0.929 13.103 177 2HE LYS 524 2HE LYS 524 -4.562 -1.182 12.568 178 1HZ LYS 524 1HZ LYS 524 -5.837 1.468 13.038 179 2HZ LYS 524 2HZ LYS 524 -4.236 1.217 12.550 180 3HZ LYS 524 3HZ LYS 524 -4.738 0.698 14.049 181 H VAL 525 H VAL 525 -4.319 -2.304 7.147 182 HA VAL 525 HA VAL 525 -4.698 -1.730 4.268 183 HB VAL 525 HB VAL 525 -3.169 -4.149 5.267 184 1HG1 VAL 525 1HG1 VAL 525 -3.365 -2.914 2.533 185 2HG1 VAL 525 2HG1 VAL 525 -4.156 -4.400 3.063 186 3HG1 VAL 525 3HG1 VAL 525 -2.395 -4.328 2.949 187 1HG2 VAL 525 1HG2 VAL 525 -2.002 -1.570 4.229 188 2HG2 VAL 525 2HG2 VAL 525 -1.095 -3.049 4.554 189 3HG2 VAL 525 3HG2 VAL 525 -1.876 -2.183 5.878 190 H LEU 526 H LEU 526 -6.186 -2.993 3.253 191 HA LEU 526 HA LEU 526 -8.050 -4.426 4.918 192 1HB LEU 526 1HB LEU 526 -7.996 -4.157 1.894 193 2HB LEU 526 2HB LEU 526 -9.305 -4.794 2.864 194 HG LEU 526 HG LEU 526 -9.949 -2.619 2.104 195 1HD1 LEU 526 1HD1 LEU 526 -10.315 -1.368 4.118 196 2HD1 LEU 526 2HD1 LEU 526 -9.154 -2.381 4.977 197 3HD1 LEU 526 3HD1 LEU 526 -10.648 -3.088 4.349 198 1HD2 LEU 526 1HD2 LEU 526 -8.704 -0.615 2.456 199 2HD2 LEU 526 2HD2 LEU 526 -7.697 -1.776 1.588 200 3HD2 LEU 526 3HD2 LEU 526 -7.442 -1.496 3.312 201 H ARG 527 H ARG 527 -8.331 -6.649 4.904 202 HA ARG 527 HA ARG 527 -5.968 -8.024 3.914 203 1HB ARG 527 1HB ARG 527 -6.597 -8.358 6.326 204 2HB ARG 527 2HB ARG 527 -8.063 -9.167 5.789 205 1HG ARG 527 1HG ARG 527 -6.731 -10.887 4.680 206 2HG ARG 527 2HG ARG 527 -5.254 -10.068 5.167 207 1HD ARG 527 1HD ARG 527 -5.533 -11.849 6.685 208 2HD ARG 527 2HD ARG 527 -6.021 -10.402 7.555 209 HE ARG 527 HE ARG 527 -8.313 -11.469 6.445 210 1HH1 ARG 527 1HH1 ARG 527 -5.848 -12.498 8.839 211 2HH1 ARG 527 2HH1 ARG 527 -6.936 -13.538 9.644 212 1HH2 ARG 527 1HH2 ARG 527 -9.728 -12.917 7.608 213 2HH2 ARG 527 2HH2 ARG 527 -9.153 -13.774 8.968 214 H THR 528 H THR 528 -5.941 -9.556 2.515 215 HA THR 528 HA THR 528 -7.770 -9.966 0.583 216 HB THR 528 HB THR 528 -5.486 -10.541 0.304 217 HG1 THR 528 HG1 THR 528 -5.948 -13.062 0.064 218 1HG2 THR 528 1HG2 THR 528 -4.402 -12.375 1.501 219 2HG2 THR 528 2HG2 THR 528 -5.859 -12.604 2.476 220 3HG2 THR 528 3HG2 THR 528 -4.927 -11.112 2.616 221 H SER 529 H SER 529 -9.230 -11.584 0.146 222 HA SER 529 HA SER 529 -10.587 -12.767 2.371 223 1HB SER 529 1HB SER 529 -11.754 -11.779 0.381 224 2HB SER 529 2HB SER 529 -11.054 -13.050 -0.610 225 HG SER 529 HG SER 529 -12.932 -13.877 -0.121 226 H GLY 530 H GLY 530 -8.027 -13.600 0.295 227 1HA GLY 530 1HA GLY 530 -8.262 -16.433 1.042 228 2HA GLY 530 2HA GLY 530 -7.744 -15.921 -0.557 229 H ALA 531 H ALA 531 -6.744 -16.717 2.522 230 HA ALA 531 HA ALA 531 -4.011 -16.501 1.818 231 1HB ALA 531 1HB ALA 531 -3.263 -15.046 3.644 232 2HB ALA 531 2HB ALA 531 -4.939 -14.720 4.087 233 3HB ALA 531 3HB ALA 531 -4.314 -14.174 2.532 234 H ARG 532 H ARG 532 -4.550 -18.740 2.193 235 HA ARG 532 HA ARG 532 -4.789 -19.429 4.998 236 1HB ARG 532 1HB ARG 532 -4.773 -21.222 2.557 237 2HB ARG 532 2HB ARG 532 -4.900 -21.798 4.211 238 1HG ARG 532 1HG ARG 532 -6.874 -19.997 2.825 239 2HG ARG 532 2HG ARG 532 -7.078 -21.726 3.109 240 1HD ARG 532 1HD ARG 532 -7.004 -21.345 5.524 241 2HD ARG 532 2HD ARG 532 -6.761 -19.620 5.253 242 HE ARG 532 HE ARG 532 -9.171 -20.979 4.296 243 1HH1 ARG 532 1HH1 ARG 532 -7.675 -18.511 6.355 244 2HH1 ARG 532 2HH1 ARG 532 -9.117 -17.671 6.626 245 1HH2 ARG 532 1HH2 ARG 532 -11.171 -19.858 4.753 246 2HH2 ARG 532 2HH2 ARG 532 -11.151 -18.476 5.742 247 H GLY 533 H GLY 533 -2.871 -18.561 5.620 248 1HA GLY 533 1HA GLY 533 -0.885 -20.185 6.305 249 2HA GLY 533 2HA GLY 533 -0.473 -19.792 4.647 250 H ASN 534 H ASN 534 0.898 -18.307 4.448 251 HA ASN 534 HA ASN 534 0.791 -15.904 6.081 252 1HB ASN 534 1HB ASN 534 2.309 -17.543 7.200 253 2HB ASN 534 2HB ASN 534 3.238 -17.650 5.718 254 1HD2 ASN 534 1HD2 ASN 534 1.941 -14.602 6.975 255 2HD2 ASN 534 2HD2 ASN 534 3.485 -14.007 7.431 256 H VAL 535 H VAL 535 1.207 -14.161 4.755 257 HA VAL 535 HA VAL 535 2.453 -14.711 2.159 258 HB VAL 535 HB VAL 535 0.039 -12.888 2.590 259 1HG1 VAL 535 1HG1 VAL 535 1.514 -12.084 0.784 260 2HG1 VAL 535 2HG1 VAL 535 0.004 -12.728 0.115 261 3HG1 VAL 535 3HG1 VAL 535 1.465 -13.694 0.067 262 1HG2 VAL 535 1HG2 VAL 535 0.287 -15.518 1.213 263 2HG2 VAL 535 2HG2 VAL 535 -1.156 -14.500 1.165 264 3HG2 VAL 535 3HG2 VAL 535 -0.623 -15.223 2.699 265 H ILE 536 H ILE 536 3.945 -13.305 1.587 266 HA ILE 536 HA ILE 536 4.520 -11.087 3.403 267 HB ILE 536 HB ILE 536 6.225 -12.501 1.339 268 1HG1 ILE 536 1HG1 ILE 536 5.981 -13.629 3.513 269 2HG1 ILE 536 2HG1 ILE 536 7.641 -13.120 3.216 270 1HG2 ILE 536 1HG2 ILE 536 6.727 -10.140 1.210 271 2HG2 ILE 536 2HG2 ILE 536 8.063 -11.005 1.985 272 3HG2 ILE 536 3HG2 ILE 536 6.898 -10.102 2.963 273 1HD1 ILE 536 1HD1 ILE 536 7.268 -11.191 4.686 274 2HD1 ILE 536 2HD1 ILE 536 7.002 -12.725 5.521 275 3HD1 ILE 536 3HD1 ILE 536 5.627 -11.755 4.986 276 H VAL 537 H VAL 537 4.114 -9.116 2.805 277 HA VAL 537 HA VAL 537 3.685 -8.562 -0.040 278 HB VAL 537 HB VAL 537 2.500 -7.023 2.289 279 1HG1 VAL 537 1HG1 VAL 537 2.759 -5.685 0.289 280 2HG1 VAL 537 2HG1 VAL 537 1.053 -5.990 0.604 281 3HG1 VAL 537 3HG1 VAL 537 1.892 -6.892 -0.659 282 1HG2 VAL 537 1HG2 VAL 537 1.157 -9.078 0.533 283 2HG2 VAL 537 2HG2 VAL 537 0.346 -8.066 1.726 284 3HG2 VAL 537 3HG2 VAL 537 1.538 -9.258 2.244 285 HA PRO 538 HA PRO 538 7.378 -6.092 1.020 286 1HB PRO 538 1HB PRO 538 8.167 -5.672 -1.540 287 2HB PRO 538 2HB PRO 538 8.484 -7.194 -0.703 288 1HG PRO 538 1HG PRO 538 6.325 -6.523 -2.657 289 2HG PRO 538 2HG PRO 538 7.332 -7.979 -2.555 290 1HD PRO 538 1HD PRO 538 4.792 -7.871 -1.629 291 2HD PRO 538 2HD PRO 538 6.034 -8.906 -0.893 292 H TYR 539 H TYR 539 7.703 -3.872 1.020 293 HA TYR 539 HA TYR 539 6.139 -2.198 -0.733 294 1HB TYR 539 1HB TYR 539 5.061 -0.922 1.048 295 2HB TYR 539 2HB TYR 539 4.595 -2.613 1.161 296 HD1 TYR 539 HD1 TYR 539 5.651 -4.046 2.932 297 HD2 TYR 539 HD2 TYR 539 6.107 0.178 2.869 298 HE1 TYR 539 HE1 TYR 539 6.313 -4.087 5.287 299 HE2 TYR 539 HE2 TYR 539 6.786 0.146 5.229 300 HH TYR 539 HH TYR 539 6.341 -1.471 7.214 301 H LYS 540 H LYS 540 6.759 0.071 -0.511 302 HA LYS 540 HA LYS 540 9.032 0.687 1.043 303 1HB LYS 540 1HB LYS 540 10.508 1.325 -0.876 304 2HB LYS 540 2HB LYS 540 10.309 -0.390 -0.625 305 1HG LYS 540 1HG LYS 540 10.359 0.035 -2.971 306 2HG LYS 540 2HG LYS 540 8.716 -0.415 -2.537 307 1HD LYS 540 1HD LYS 540 7.942 1.797 -2.768 308 2HD LYS 540 2HD LYS 540 9.577 2.457 -2.742 309 1HE LYS 540 1HE LYS 540 8.745 2.539 -4.976 310 2HE LYS 540 2HE LYS 540 10.031 1.337 -4.846 311 1HZ LYS 540 1HZ LYS 540 8.174 -0.384 -4.727 312 2HZ LYS 540 2HZ LYS 540 8.425 0.393 -6.169 313 3HZ LYS 540 3HZ LYS 540 7.117 0.840 -5.267 314 H THR 541 H THR 541 9.503 2.853 1.256 315 HA THR 541 HA THR 541 7.373 4.615 0.540 316 HB THR 541 HB THR 541 9.021 6.234 1.746 317 HG1 THR 541 HG1 THR 541 10.901 4.951 1.805 318 1HG2 THR 541 1HG2 THR 541 8.243 5.451 3.951 319 2HG2 THR 541 2HG2 THR 541 7.752 3.924 3.226 320 3HG2 THR 541 3HG2 THR 541 6.944 5.423 2.760 321 H ILE 542 H ILE 542 7.379 5.709 -1.343 322 HA ILE 542 HA ILE 542 9.891 6.207 -2.735 323 HB ILE 542 HB ILE 542 7.071 7.124 -3.449 324 1HG1 ILE 542 1HG1 ILE 542 7.385 5.500 -5.446 325 2HG1 ILE 542 2HG1 ILE 542 8.667 4.784 -4.487 326 1HG2 ILE 542 1HG2 ILE 542 8.698 8.639 -4.361 327 2HG2 ILE 542 2HG2 ILE 542 7.962 7.704 -5.662 328 3HG2 ILE 542 3HG2 ILE 542 9.583 7.299 -5.094 329 1HD1 ILE 542 1HD1 ILE 542 5.774 4.999 -3.703 330 2HD1 ILE 542 2HD1 ILE 542 7.050 4.249 -2.741 331 3HD1 ILE 542 3HD1 ILE 542 6.584 3.547 -4.291 332 H GLU 543 H GLU 543 11.027 7.916 -2.205 333 HA GLU 543 HA GLU 543 10.410 9.639 -0.107 334 1HB GLU 543 1HB GLU 543 12.402 10.060 -2.326 335 2HB GLU 543 2HB GLU 543 12.406 10.877 -0.769 336 1HG GLU 543 1HG GLU 543 12.869 8.841 0.380 337 2HG GLU 543 2HG GLU 543 12.647 7.900 -1.092 338 H GLY 544 H GLY 544 10.234 10.223 -3.570 339 1HA GLY 544 1HA GLY 544 8.978 11.674 -4.794 340 2HA GLY 544 2HA GLY 544 8.053 12.013 -3.336 341 H THR 545 H THR 545 8.570 13.705 -2.097 342 HA THR 545 HA THR 545 10.708 15.440 -3.092 343 HB THR 545 HB THR 545 8.587 16.399 -3.812 344 HG1 THR 545 HG1 THR 545 10.196 17.630 -1.966 345 1HG2 THR 545 1HG2 THR 545 7.085 15.397 -2.192 346 2HG2 THR 545 2HG2 THR 545 6.906 17.157 -2.131 347 3HG2 THR 545 3HG2 THR 545 7.851 16.311 -0.899 348 H ALA 546 H ALA 546 9.739 13.605 -0.573 349 HA ALA 546 HA ALA 546 10.634 15.380 1.539 350 1HB ALA 546 1HB ALA 546 9.641 12.532 1.610 351 2HB ALA 546 2HB ALA 546 8.663 13.965 1.900 352 3HB ALA 546 3HB ALA 546 9.967 13.546 3.016 353 H ARG 547 H ARG 547 12.400 14.719 2.948 354 HA ARG 547 HA ARG 547 14.499 13.389 1.442 355 1HB ARG 547 1HB ARG 547 14.802 15.667 2.562 356 2HB ARG 547 2HB ARG 547 14.713 14.808 4.092 357 1HG ARG 547 1HG ARG 547 16.987 15.287 3.496 358 2HG ARG 547 2HG ARG 547 16.697 13.544 3.526 359 1HD ARG 547 1HD ARG 547 16.511 13.548 1.105 360 2HD ARG 547 2HD ARG 547 16.788 15.291 1.074 361 HE ARG 547 HE ARG 547 18.964 14.580 2.290 362 1HH1 ARG 547 1HH1 ARG 547 17.422 12.829 -0.385 363 2HH1 ARG 547 2HH1 ARG 547 18.881 12.253 -1.022 364 1HH2 ARG 547 1HH2 ARG 547 20.940 13.757 1.429 365 2HH2 ARG 547 2HH2 ARG 547 20.929 12.788 0.001 366 H GLY 548 H GLY 548 14.603 11.236 1.724 367 1HA GLY 548 1HA GLY 548 13.554 10.034 4.159 368 2HA GLY 548 2HA GLY 548 13.986 9.192 2.685 369 H GLY 549 H GLY 549 14.905 7.681 4.189 370 1HA GLY 549 1HA GLY 549 16.819 6.609 4.847 371 2HA GLY 549 2HA GLY 549 17.732 8.038 4.407 372 H GLY 550 H GLY 550 15.155 8.698 6.580 373 1HA GLY 550 1HA GLY 550 15.152 8.710 8.912 374 2HA GLY 550 2HA GLY 550 16.870 8.325 8.898 375 H GLU 551 H GLU 551 16.335 10.646 6.625 376 HA GLU 551 HA GLU 551 17.680 12.650 8.150 377 1HB GLU 551 1HB GLU 551 17.684 12.198 5.543 378 2HB GLU 551 2HB GLU 551 16.245 13.181 5.581 379 1HG GLU 551 1HG GLU 551 18.102 14.562 5.006 380 2HG GLU 551 2HG GLU 551 17.526 15.009 6.614 381 H ASP 552 H ASP 552 14.594 12.937 6.341 382 HA ASP 552 HA ASP 552 13.567 14.568 8.565 383 1HB ASP 552 1HB ASP 552 13.670 15.451 6.068 384 2HB ASP 552 2HB ASP 552 12.245 14.439 5.859 385 H PHE 553 H PHE 553 12.974 11.840 6.436 386 HA PHE 553 HA PHE 553 11.155 10.857 8.465 387 1HB PHE 553 1HB PHE 553 9.483 10.123 6.974 388 2HB PHE 553 2HB PHE 553 9.870 11.731 6.398 389 HD1 PHE 553 HD1 PHE 553 9.914 8.181 5.690 390 HD2 PHE 553 HD2 PHE 553 11.062 11.999 4.240 391 HE1 PHE 553 HE1 PHE 553 10.213 7.219 3.461 392 HE2 PHE 553 HE2 PHE 553 11.371 11.039 1.986 393 HZ PHE 553 HZ PHE 553 10.944 8.639 1.601 394 H GLU 554 H GLU 554 10.999 8.520 8.436 395 HA GLU 554 HA GLU 554 13.568 7.338 7.836 396 1HB GLU 554 1HB GLU 554 12.376 7.182 10.039 397 2HB GLU 554 2HB GLU 554 11.124 6.279 9.246 398 1HG GLU 554 1HG GLU 554 13.987 5.369 9.431 399 2HG GLU 554 2HG GLU 554 12.770 4.988 10.635 400 H ASP 555 H ASP 555 13.850 6.186 6.062 401 HA ASP 555 HA ASP 555 11.672 5.779 4.203 402 1HB ASP 555 1HB ASP 555 13.758 6.537 3.287 403 2HB ASP 555 2HB ASP 555 14.638 5.214 4.032 404 H THR 556 H THR 556 10.389 4.179 4.728 405 HA THR 556 HA THR 556 11.670 1.847 5.781 406 HB THR 556 HB THR 556 9.980 2.825 7.266 407 HG1 THR 556 HG1 THR 556 10.383 0.612 7.309 408 1HG2 THR 556 1HG2 THR 556 7.570 2.544 6.730 409 2HG2 THR 556 2HG2 THR 556 8.033 2.139 5.065 410 3HG2 THR 556 3HG2 THR 556 8.382 3.737 5.712 411 H CYS 557 H CYS 557 12.318 0.759 4.218 412 HA CYS 557 HA CYS 557 10.373 -0.274 2.326 413 1HB CYS 557 1HB CYS 557 12.605 -1.035 1.190 414 2HB CYS 557 2HB CYS 557 12.108 0.648 1.055 415 HG CYS 557 HG CYS 557 13.995 1.735 2.415 416 H GLY 558 H GLY 558 9.859 -2.419 2.531 417 1HA GLY 558 1HA GLY 558 11.472 -4.334 3.675 418 2HA GLY 558 2HA GLY 558 10.461 -3.643 4.948 419 H GLU 559 H GLU 559 9.410 -5.647 5.134 420 HA GLU 559 HA GLU 559 7.441 -6.078 3.022 421 1HB GLU 559 1HB GLU 559 9.201 -8.138 4.310 422 2HB GLU 559 2HB GLU 559 7.784 -8.509 3.326 423 1HG GLU 559 1HG GLU 559 8.801 -7.617 1.384 424 2HG GLU 559 2HG GLU 559 10.109 -6.889 2.316 425 H LEU 560 H LEU 560 5.455 -6.407 3.732 426 HA LEU 560 HA LEU 560 4.928 -6.573 6.581 427 1HB LEU 560 1HB LEU 560 3.167 -6.254 4.166 428 2HB LEU 560 2HB LEU 560 2.512 -6.591 5.748 429 HG LEU 560 HG LEU 560 4.128 -4.138 5.050 430 1HD1 LEU 560 1HD1 LEU 560 1.980 -4.199 3.889 431 2HD1 LEU 560 2HD1 LEU 560 1.997 -2.980 5.163 432 3HD1 LEU 560 3HD1 LEU 560 1.162 -4.515 5.422 433 1HD2 LEU 560 1HD2 LEU 560 4.295 -4.734 7.409 434 2HD2 LEU 560 2HD2 LEU 560 2.546 -4.915 7.498 435 3HD2 LEU 560 3HD2 LEU 560 3.251 -3.323 7.211 436 H GLU 561 H GLU 561 4.314 -8.339 7.551 437 HA GLU 561 HA GLU 561 4.095 -10.747 5.931 438 1HB GLU 561 1HB GLU 561 5.946 -10.583 7.573 439 2HB GLU 561 2HB GLU 561 4.767 -10.356 8.848 440 1HG GLU 561 1HG GLU 561 3.988 -12.576 8.634 441 2HG GLU 561 2HG GLU 561 4.898 -12.812 7.138 442 H PHE 562 H PHE 562 2.019 -11.157 5.526 443 HA PHE 562 HA PHE 562 -0.023 -10.506 7.543 444 1HB PHE 562 1HB PHE 562 0.063 -10.251 4.728 445 2HB PHE 562 2HB PHE 562 -1.027 -11.590 5.048 446 HD1 PHE 562 HD1 PHE 562 -1.307 -8.546 4.013 447 HD2 PHE 562 HD2 PHE 562 -2.358 -10.650 7.587 448 HE1 PHE 562 HE1 PHE 562 -3.086 -6.910 4.462 449 HE2 PHE 562 HE2 PHE 562 -4.114 -9.016 8.023 450 HZ PHE 562 HZ PHE 562 -4.490 -7.144 6.468 451 H GLN 563 H GLN 563 -1.050 -12.202 8.579 452 HA GLN 563 HA GLN 563 -0.375 -14.855 7.522 453 1HB GLN 563 1HB GLN 563 -0.848 -14.300 10.442 454 2HB GLN 563 2HB GLN 563 -0.186 -15.746 9.687 455 1HG GLN 563 1HG GLN 563 1.697 -14.289 8.882 456 2HG GLN 563 2HG GLN 563 1.069 -13.078 10.004 457 1HE2 GLN 563 1HE2 GLN 563 1.125 -16.551 10.554 458 2HE2 GLN 563 2HE2 GLN 563 2.270 -16.483 11.828 459 H ASN 564 H ASN 564 -1.874 -16.543 8.186 460 HA ASN 564 HA ASN 564 -4.496 -15.942 7.425 461 1HB ASN 564 1HB ASN 564 -3.606 -18.132 7.055 462 2HB ASN 564 2HB ASN 564 -3.312 -18.382 8.770 463 1HD2 ASN 564 1HD2 ASN 564 -5.031 -19.048 10.070 464 2HD2 ASN 564 2HD2 ASN 564 -6.551 -19.505 9.407 465 H ASP 565 H ASP 565 -3.000 -16.139 10.571 466 HA ASP 565 HA ASP 565 -5.644 -15.833 11.818 467 1HB ASP 565 1HB ASP 565 -4.247 -17.638 12.741 468 2HB ASP 565 2HB ASP 565 -2.982 -16.475 13.112 469 H GLU 566 H GLU 566 -3.324 -13.882 10.661 470 HA GLU 566 HA GLU 566 -3.693 -11.909 12.785 471 1HB GLU 566 1HB GLU 566 -1.335 -12.324 12.248 472 2HB GLU 566 2HB GLU 566 -1.641 -11.966 10.555 473 1HG GLU 566 1HG GLU 566 -2.114 -9.671 11.066 474 2HG GLU 566 2HG GLU 566 -2.022 -9.995 12.790 475 H ILE 567 H ILE 567 -4.903 -10.139 12.410 476 HA ILE 567 HA ILE 567 -5.811 -9.805 9.664 477 HB ILE 567 HB ILE 567 -7.884 -8.866 10.478 478 1HG1 ILE 567 1HG1 ILE 567 -8.158 -9.288 13.180 479 2HG1 ILE 567 2HG1 ILE 567 -6.476 -8.747 13.057 480 1HG2 ILE 567 1HG2 ILE 567 -7.287 -11.416 11.933 481 2HG2 ILE 567 2HG2 ILE 567 -7.792 -11.259 10.259 482 3HG2 ILE 567 3HG2 ILE 567 -8.904 -10.799 11.561 483 1HD1 ILE 567 1HD1 ILE 567 -7.238 -6.728 11.924 484 2HD1 ILE 567 2HD1 ILE 567 -7.916 -6.905 13.540 485 3HD1 ILE 567 3HD1 ILE 567 -8.908 -7.262 12.128 486 H VAL 568 H VAL 568 -5.846 -7.838 8.850 487 HA VAL 568 HA VAL 568 -5.189 -5.823 8.310 488 HB VAL 568 HB VAL 568 -6.849 -5.454 10.198 489 1HG1 VAL 568 1HG1 VAL 568 -5.482 -5.706 12.137 490 2HG1 VAL 568 2HG1 VAL 568 -6.109 -4.055 12.087 491 3HG1 VAL 568 3HG1 VAL 568 -4.437 -4.382 11.619 492 1HG2 VAL 568 1HG2 VAL 568 -6.388 -3.859 8.416 493 2HG2 VAL 568 2HG2 VAL 568 -5.098 -3.143 9.396 494 3HG2 VAL 568 3HG2 VAL 568 -6.782 -3.080 9.938 495 H LYS 569 H LYS 569 -3.463 -4.712 7.867 496 HA LYS 569 HA LYS 569 -1.164 -5.028 9.656 497 1HB LYS 569 1HB LYS 569 -1.103 -4.841 6.646 498 2HB LYS 569 2HB LYS 569 0.315 -4.781 7.680 499 1HG LYS 569 1HG LYS 569 -1.576 -7.085 7.330 500 2HG LYS 569 2HG LYS 569 0.077 -6.966 6.735 501 1HD LYS 569 1HD LYS 569 -0.668 -6.890 9.659 502 2HD LYS 569 2HD LYS 569 -0.205 -8.339 8.797 503 1HE LYS 569 1HE LYS 569 1.942 -7.323 8.274 504 2HE LYS 569 2HE LYS 569 1.427 -5.891 9.178 505 1HZ LYS 569 1HZ LYS 569 1.340 -7.145 11.178 506 2HZ LYS 569 2HZ LYS 569 2.834 -7.508 10.488 507 3HZ LYS 569 3HZ LYS 569 1.531 -8.605 10.366 508 H THR 570 H THR 570 0.376 -3.410 9.466 509 HA THR 570 HA THR 570 -0.755 -0.834 8.673 510 HB THR 570 HB THR 570 0.538 0.132 10.700 511 HG1 THR 570 HG1 THR 570 1.012 -1.088 12.264 512 1HG2 THR 570 1HG2 THR 570 -2.045 -1.368 11.138 513 2HG2 THR 570 2HG2 THR 570 -1.866 0.255 10.439 514 3HG2 THR 570 3HG2 THR 570 -1.395 -0.035 12.110 515 H ILE 571 H ILE 571 0.525 0.420 7.560 516 HA ILE 571 HA ILE 571 3.330 -0.296 7.418 517 HB ILE 571 HB ILE 571 1.802 1.868 5.886 518 1HG1 ILE 571 1HG1 ILE 571 2.444 0.521 3.858 519 2HG1 ILE 571 2HG1 ILE 571 3.024 -0.737 4.934 520 1HG2 ILE 571 1HG2 ILE 571 3.857 2.261 4.644 521 2HG2 ILE 571 2HG2 ILE 571 4.688 1.064 5.636 522 3HG2 ILE 571 3HG2 ILE 571 4.086 2.549 6.370 523 1HD1 ILE 571 1HD1 ILE 571 0.840 -1.225 4.008 524 2HD1 ILE 571 2HD1 ILE 571 0.190 0.239 4.768 525 3HD1 ILE 571 3HD1 ILE 571 0.806 -1.084 5.762 526 H SER 572 H SER 572 4.337 0.352 9.115 527 HA SER 572 HA SER 572 3.578 2.745 10.532 528 1HB SER 572 1HB SER 572 5.740 0.735 11.160 529 2HB SER 572 2HB SER 572 4.887 1.801 12.281 530 HG SER 572 HG SER 572 3.055 0.533 12.108 531 H VAL 573 H VAL 573 4.522 4.576 9.822 532 HA VAL 573 HA VAL 573 7.270 4.391 8.807 533 HB VAL 573 HB VAL 573 5.200 6.453 7.986 534 1HG1 VAL 573 1HG1 VAL 573 8.015 6.021 6.982 535 2HG1 VAL 573 2HG1 VAL 573 7.457 7.375 7.967 536 3HG1 VAL 573 3HG1 VAL 573 6.853 7.172 6.322 537 1HG2 VAL 573 1HG2 VAL 573 5.363 5.369 5.750 538 2HG2 VAL 573 2HG2 VAL 573 4.644 4.362 7.002 539 3HG2 VAL 573 3HG2 VAL 573 6.309 4.080 6.498 540 H LYS 574 H LYS 574 8.672 5.290 9.982 541 HA LYS 574 HA LYS 574 7.967 6.980 12.173 542 1HB LYS 574 1HB LYS 574 9.655 5.302 12.519 543 2HB LYS 574 2HB LYS 574 10.590 5.874 11.156 544 1HG LYS 574 1HG LYS 574 11.640 6.529 13.219 545 2HG LYS 574 2HG LYS 574 11.046 7.958 12.375 546 1HD LYS 574 1HD LYS 574 9.074 7.971 13.830 547 2HD LYS 574 2HD LYS 574 9.708 6.565 14.690 548 1HE LYS 574 1HE LYS 574 11.031 9.269 14.479 549 2HE LYS 574 2HE LYS 574 10.162 8.655 15.879 550 1HZ LYS 574 1HZ LYS 574 11.812 6.900 16.082 551 2HZ LYS 574 2HZ LYS 574 12.509 8.440 16.142 552 3HZ LYS 574 3HZ LYS 574 12.676 7.528 14.755 553 H VAL 575 H VAL 575 7.744 9.020 12.045 554 HA VAL 575 HA VAL 575 9.062 10.503 9.920 555 HB VAL 575 HB VAL 575 7.044 11.459 12.003 556 1HG1 VAL 575 1HG1 VAL 575 8.069 12.833 9.513 557 2HG1 VAL 575 2HG1 VAL 575 8.467 13.272 11.172 558 3HG1 VAL 575 3HG1 VAL 575 6.812 13.453 10.586 559 1HG2 VAL 575 1HG2 VAL 575 6.033 9.848 10.477 560 2HG2 VAL 575 2HG2 VAL 575 6.628 10.764 9.092 561 3HG2 VAL 575 3HG2 VAL 575 5.415 11.469 10.159 562 H ILE 576 H ILE 576 10.738 11.850 10.384 563 HA ILE 576 HA ILE 576 11.970 11.392 12.970 564 HB ILE 576 HB ILE 576 13.078 12.756 10.475 565 1HG1 ILE 576 1HG1 ILE 576 12.419 10.434 9.999 566 2HG1 ILE 576 2HG1 ILE 576 14.154 10.616 9.886 567 1HG2 ILE 576 1HG2 ILE 576 14.529 11.578 12.846 568 2HG2 ILE 576 2HG2 ILE 576 14.323 13.297 12.515 569 3HG2 ILE 576 3HG2 ILE 576 15.283 12.295 11.422 570 1HD1 ILE 576 1HD1 ILE 576 12.589 9.373 12.125 571 2HD1 ILE 576 2HD1 ILE 576 14.334 9.638 12.135 572 3HD1 ILE 576 3HD1 ILE 576 13.612 8.566 10.921 573 H ASP 577 H ASP 577 12.889 13.301 14.050 574 HA ASP 577 HA ASP 577 10.942 15.388 14.171 575 1HB ASP 577 1HB ASP 577 13.635 15.185 15.543 576 2HB ASP 577 2HB ASP 577 12.461 16.463 15.835 577 H ASP 578 H ASP 578 10.787 16.967 12.910 578 HA ASP 578 HA ASP 578 12.469 17.377 10.731 579 1HB ASP 578 1HB ASP 578 10.013 17.872 10.907 580 2HB ASP 578 2HB ASP 578 10.462 19.331 11.787 581 H GLU 579 H GLU 579 13.803 18.953 10.162 582 HA GLU 579 HA GLU 579 15.329 20.204 12.283 583 1HB GLU 579 1HB GLU 579 15.993 20.365 9.379 584 2HB GLU 579 2HB GLU 579 17.062 20.281 10.768 585 1HG GLU 579 1HG GLU 579 17.384 18.200 9.988 586 2HG GLU 579 2HG GLU 579 15.952 17.876 10.967 587 H GLU 580 H GLU 580 13.705 21.031 9.252 588 HA GLU 580 HA GLU 580 13.724 23.860 10.001 589 1HB GLU 580 1HB GLU 580 14.236 24.477 7.684 590 2HB GLU 580 2HB GLU 580 15.491 23.431 8.305 591 1HG GLU 580 1HG GLU 580 13.272 22.580 6.437 592 2HG GLU 580 2HG GLU 580 14.900 23.004 5.944 593 H TYR 581 H TYR 581 12.305 24.483 7.471 594 HA TYR 581 HA TYR 581 9.697 23.266 8.095 595 1HB TYR 581 1HB TYR 581 8.656 25.299 7.279 596 2HB TYR 581 2HB TYR 581 9.924 25.806 8.391 597 HD1 TYR 581 HD1 TYR 581 12.132 26.600 7.408 598 HD2 TYR 581 HD2 TYR 581 8.650 26.022 5.032 599 HE1 TYR 581 HE1 TYR 581 13.141 27.928 5.615 600 HE2 TYR 581 HE2 TYR 581 9.636 27.346 3.235 601 HH TYR 581 HH TYR 581 12.956 28.154 3.224 602 H GLU 582 H GLU 582 8.466 22.612 6.239 603 HA GLU 582 HA GLU 582 9.925 22.695 3.694 604 1HB GLU 582 1HB GLU 582 8.314 20.316 4.673 605 2HB GLU 582 2HB GLU 582 8.954 20.491 3.059 606 1HG GLU 582 1HG GLU 582 10.421 19.017 4.090 607 2HG GLU 582 2HG GLU 582 11.256 20.560 4.205 608 H LYS 583 H LYS 583 8.496 22.396 1.839 609 HA LYS 583 HA LYS 583 5.909 23.747 2.154 610 1HB LYS 583 1HB LYS 583 7.328 22.690 -0.330 611 2HB LYS 583 2HB LYS 583 5.861 23.647 -0.320 612 1HG LYS 583 1HG LYS 583 7.517 25.149 -0.952 613 2HG LYS 583 2HG LYS 583 7.273 25.486 0.753 614 1HD LYS 583 1HD LYS 583 9.254 24.197 1.321 615 2HD LYS 583 2HD LYS 583 9.478 23.757 -0.374 616 1HE LYS 583 1HE LYS 583 9.682 26.193 -0.890 617 2HE LYS 583 2HE LYS 583 9.647 26.506 0.845 618 1HZ LYS 583 1HZ LYS 583 11.885 26.443 -0.006 619 2HZ LYS 583 2HZ LYS 583 11.672 24.896 -0.602 620 3HZ LYS 583 3HZ LYS 583 11.666 25.156 1.069 621 H ASN 584 H ASN 584 4.719 22.274 -0.023 622 HA ASN 584 HA ASN 584 3.641 20.054 1.313 623 1HB ASN 584 1HB ASN 584 2.462 20.926 -0.623 624 2HB ASN 584 2HB ASN 584 3.834 20.553 -1.664 625 1HD2 ASN 584 1HD2 ASN 584 1.201 19.191 0.174 626 2HD2 ASN 584 2HD2 ASN 584 1.181 17.665 -0.638 627 H LYS 585 H LYS 585 4.578 18.329 1.956 628 HA LYS 585 HA LYS 585 6.798 17.233 0.485 629 1HB LYS 585 1HB LYS 585 7.787 18.518 2.167 630 2HB LYS 585 2HB LYS 585 6.583 18.102 3.374 631 1HG LYS 585 1HG LYS 585 8.634 16.174 2.321 632 2HG LYS 585 2HG LYS 585 8.984 17.294 3.632 633 1HD LYS 585 1HD LYS 585 6.684 16.197 4.547 634 2HD LYS 585 2HD LYS 585 7.339 14.862 3.590 635 1HE LYS 585 1HE LYS 585 8.083 14.704 5.894 636 2HE LYS 585 2HE LYS 585 9.437 14.985 4.802 637 1HZ LYS 585 1HZ LYS 585 8.156 17.091 6.533 638 2HZ LYS 585 2HZ LYS 585 9.451 17.324 5.463 639 3HZ LYS 585 3HZ LYS 585 9.620 16.314 6.753 640 H THR 586 H THR 586 6.346 15.201 0.012 641 HA THR 586 HA THR 586 4.671 13.589 1.683 642 HB THR 586 HB THR 586 2.981 14.813 0.542 643 HG1 THR 586 HG1 THR 586 2.625 12.600 0.619 644 1HG2 THR 586 1HG2 THR 586 4.329 14.166 -2.083 645 2HG2 THR 586 2HG2 THR 586 4.260 15.749 -1.296 646 3HG2 THR 586 3HG2 THR 586 2.774 14.992 -1.874 647 H PHE 587 H PHE 587 4.733 11.550 1.283 648 HA PHE 587 HA PHE 587 6.531 10.625 -0.759 649 1HB PHE 587 1HB PHE 587 7.183 8.785 0.967 650 2HB PHE 587 2HB PHE 587 7.977 10.341 1.033 651 HD1 PHE 587 HD1 PHE 587 5.148 8.417 2.654 652 HD2 PHE 587 HD2 PHE 587 8.106 11.459 3.004 653 HE1 PHE 587 HE1 PHE 587 4.719 8.587 5.076 654 HE2 PHE 587 HE2 PHE 587 7.662 11.605 5.413 655 HZ PHE 587 HZ PHE 587 5.966 10.160 6.439 656 H PHE 588 H PHE 588 6.140 8.487 -1.421 657 HA PHE 588 HA PHE 588 3.246 7.917 -1.253 658 1HB PHE 588 1HB PHE 588 5.086 7.062 -3.484 659 2HB PHE 588 2HB PHE 588 3.334 7.144 -3.480 660 HD1 PHE 588 HD1 PHE 588 2.274 9.492 -3.256 661 HD2 PHE 588 HD2 PHE 588 6.325 8.813 -4.329 662 HE1 PHE 588 HE1 PHE 588 2.399 11.757 -4.230 663 HE2 PHE 588 HE2 PHE 588 6.460 11.064 -5.296 664 HZ PHE 588 HZ PHE 588 4.489 12.541 -5.245 665 H LEU 589 H LEU 589 2.623 5.915 -0.716 666 HA LEU 589 HA LEU 589 4.756 3.968 -0.151 667 1HB LEU 589 1HB LEU 589 2.917 4.850 1.600 668 2HB LEU 589 2HB LEU 589 1.957 3.614 0.819 669 HG LEU 589 HG LEU 589 2.890 2.790 2.886 670 1HD1 LEU 589 1HD1 LEU 589 4.236 1.461 0.555 671 2HD1 LEU 589 2HD1 LEU 589 2.594 1.167 1.108 672 3HD1 LEU 589 3HD1 LEU 589 3.959 0.751 2.146 673 1HD2 LEU 589 1HD2 LEU 589 4.816 4.191 3.051 674 2HD2 LEU 589 2HD2 LEU 589 5.569 3.388 1.671 675 3HD2 LEU 589 3HD2 LEU 589 5.306 2.502 3.170 676 H GLU 590 H GLU 590 4.740 2.096 -1.245 677 HA GLU 590 HA GLU 590 2.428 1.335 -2.860 678 1HB GLU 590 1HB GLU 590 3.895 2.768 -4.240 679 2HB GLU 590 2HB GLU 590 5.247 1.723 -3.861 680 1HG GLU 590 1HG GLU 590 4.119 -0.113 -5.035 681 2HG GLU 590 2HG GLU 590 2.813 0.999 -5.464 682 H ILE 591 H ILE 591 2.199 -0.843 -2.936 683 HA ILE 591 HA ILE 591 4.213 -2.447 -1.559 684 HB ILE 591 HB ILE 591 2.460 -4.135 -1.279 685 1HG1 ILE 591 1HG1 ILE 591 0.672 -2.157 -2.736 686 2HG1 ILE 591 2HG1 ILE 591 1.142 -3.725 -3.316 687 1HG2 ILE 591 1HG2 ILE 591 1.593 -1.388 -0.378 688 2HG2 ILE 591 2HG2 ILE 591 2.692 -2.474 0.474 689 3HG2 ILE 591 3HG2 ILE 591 0.993 -2.906 0.284 690 1HD1 ILE 591 1HD1 ILE 591 -0.571 -3.183 -0.910 691 2HD1 ILE 591 2HD1 ILE 591 -0.108 -4.787 -1.491 692 3HD1 ILE 591 3HD1 ILE 591 -1.132 -3.741 -2.484 693 H GLY 592 H GLY 592 4.517 -4.623 -2.448 694 1HA GLY 592 1HA GLY 592 4.530 -4.504 -5.389 695 2HA GLY 592 2HA GLY 592 5.739 -5.338 -4.425 696 H GLU 593 H GLU 593 5.239 -7.092 -5.857 697 HA GLU 593 HA GLU 593 2.767 -8.427 -5.916 698 1HB GLU 593 1HB GLU 593 4.650 -8.593 -7.545 699 2HB GLU 593 2HB GLU 593 5.564 -9.464 -6.338 700 1HG GLU 593 1HG GLU 593 3.846 -11.231 -6.392 701 2HG GLU 593 2HG GLU 593 3.042 -10.348 -7.690 702 HA PRO 594 HA PRO 594 3.335 -10.124 -1.803 703 1HB PRO 594 1HB PRO 594 0.916 -11.342 -1.636 704 2HB PRO 594 2HB PRO 594 1.118 -9.601 -1.411 705 1HG PRO 594 1HG PRO 594 0.179 -11.105 -3.799 706 2HG PRO 594 2HG PRO 594 -0.427 -9.583 -3.141 707 1HD PRO 594 1HD PRO 594 1.254 -9.773 -5.285 708 2HD PRO 594 2HD PRO 594 1.185 -8.354 -4.223 709 H ARG 595 H ARG 595 3.814 -12.160 -1.044 710 HA ARG 595 HA ARG 595 3.762 -14.275 -3.054 711 1HB ARG 595 1HB ARG 595 6.050 -14.964 -2.331 712 2HB ARG 595 2HB ARG 595 6.001 -13.425 -3.171 713 1HG ARG 595 1HG ARG 595 6.214 -12.247 -1.053 714 2HG ARG 595 2HG ARG 595 6.178 -13.795 -0.198 715 1HD ARG 595 1HD ARG 595 8.241 -14.473 -1.224 716 2HD ARG 595 2HD ARG 595 8.250 -13.035 -2.242 717 HE ARG 595 HE ARG 595 8.519 -11.730 -0.178 718 1HH1 ARG 595 1HH1 ARG 595 9.397 -15.201 0.019 719 2HH1 ARG 595 2HH1 ARG 595 10.563 -14.954 1.202 720 1HH2 ARG 595 1HH2 ARG 595 10.168 -11.422 1.431 721 2HH2 ARG 595 2HH2 ARG 595 11.035 -12.768 2.030 722 H LEU 596 H LEU 596 3.209 -16.191 -2.330 723 HA LEU 596 HA LEU 596 2.176 -16.420 0.336 724 1HB LEU 596 1HB LEU 596 1.688 -17.668 -2.053 725 2HB LEU 596 2HB LEU 596 2.725 -18.842 -1.281 726 HG LEU 596 HG LEU 596 0.606 -19.595 -0.808 727 1HD1 LEU 596 1HD1 LEU 596 1.883 -19.571 1.226 728 2HD1 LEU 596 2HD1 LEU 596 0.172 -19.290 1.579 729 3HD1 LEU 596 3HD1 LEU 596 1.308 -17.939 1.579 730 1HD2 LEU 596 1HD2 LEU 596 -0.213 -16.753 -0.268 731 2HD2 LEU 596 2HD2 LEU 596 -1.258 -18.155 -0.019 732 3HD2 LEU 596 3HD2 LEU 596 -0.675 -17.757 -1.638 733 H VAL 597 H VAL 597 3.395 -17.224 2.056 734 HA VAL 597 HA VAL 597 6.170 -17.737 1.504 735 HB VAL 597 HB VAL 597 4.753 -17.954 4.090 736 1HG1 VAL 597 1HG1 VAL 597 7.045 -17.530 5.106 737 2HG1 VAL 597 2HG1 VAL 597 7.717 -17.553 3.477 738 3HG1 VAL 597 3HG1 VAL 597 6.981 -19.009 4.144 739 1HG2 VAL 597 1HG2 VAL 597 5.572 -15.649 4.584 740 2HG2 VAL 597 2HG2 VAL 597 4.418 -15.735 3.250 741 3HG2 VAL 597 3HG2 VAL 597 6.145 -15.568 2.917 742 H GLU 598 H GLU 598 5.100 -19.372 0.282 743 HA GLU 598 HA GLU 598 5.422 -21.472 -0.544 744 1HB GLU 598 1HB GLU 598 7.231 -21.687 1.830 745 2HB GLU 598 2HB GLU 598 7.248 -22.758 0.428 746 1HG GLU 598 1HG GLU 598 7.853 -20.980 -1.028 747 2HG GLU 598 2HG GLU 598 7.590 -19.779 0.231 748 H MET 599 H MET 599 3.787 -21.234 2.336 749 HA MET 599 HA MET 599 2.358 -22.500 3.530 750 1HB MET 599 1HB MET 599 2.558 -24.476 1.234 751 2HB MET 599 2HB MET 599 1.458 -24.676 2.588 752 1HG MET 599 1HG MET 599 0.403 -22.498 1.927 753 2HG MET 599 2HG MET 599 1.422 -22.519 0.493 754 1HE MET 599 1HE MET 599 1.287 -24.397 -1.390 755 2HE MET 599 2HE MET 599 0.145 -25.741 -1.349 756 3HE MET 599 3HE MET 599 1.463 -25.672 -0.181 757 H SER 600 H SER 600 5.216 -22.673 3.525 758 HA SER 600 HA SER 600 5.654 -24.515 5.590 759 1HB SER 600 1HB SER 600 5.831 -25.945 3.442 760 2HB SER 600 2HB SER 600 7.119 -24.864 2.927 761 HG SER 600 HG SER 600 8.452 -25.752 4.304 762 H GLU 601 H GLU 601 7.729 -23.700 6.511 763 HA GLU 601 HA GLU 601 8.045 -20.941 5.899 764 1HB GLU 601 1HB GLU 601 9.757 -22.677 7.680 765 2HB GLU 601 2HB GLU 601 9.767 -20.917 7.646 766 1HG GLU 601 1HG GLU 601 7.377 -20.949 8.305 767 2HG GLU 601 2HG GLU 601 7.497 -22.696 8.477 768 H LYS 602 H LYS 602 9.679 -23.805 5.018 769 HA LYS 602 HA LYS 602 11.066 -22.376 2.904 770 1HB LYS 602 1HB LYS 602 12.416 -24.386 4.748 771 2HB LYS 602 2HB LYS 602 13.103 -23.773 3.254 772 1HG LYS 602 1HG LYS 602 13.165 -21.515 4.233 773 2HG LYS 602 2HG LYS 602 12.488 -22.158 5.724 774 1HD LYS 602 1HD LYS 602 14.886 -21.908 5.942 775 2HD LYS 602 2HD LYS 602 14.457 -23.616 5.977 776 1HE LYS 602 1HE LYS 602 16.459 -23.222 4.623 777 2HE LYS 602 2HE LYS 602 15.147 -23.844 3.632 778 1HZ LYS 602 1HZ LYS 602 15.983 -20.999 3.832 779 2HZ LYS 602 2HZ LYS 602 14.743 -21.565 2.848 780 3HZ LYS 602 3HZ LYS 602 16.334 -22.030 2.560 781 H LYS 603 H LYS 603 11.199 -23.722 1.043 782 HA LYS 603 HA LYS 603 9.542 -26.071 1.204 783 1HB LYS 603 1HB LYS 603 10.930 -24.816 -1.167 784 2HB LYS 603 2HB LYS 603 9.980 -26.290 -1.284 785 1HG LYS 603 1HG LYS 603 8.003 -25.033 -0.461 786 2HG LYS 603 2HG LYS 603 8.988 -23.571 -0.460 787 1HD LYS 603 1HD LYS 603 8.396 -25.257 -2.896 788 2HD LYS 603 2HD LYS 603 7.549 -23.775 -2.467 789 1HE LYS 603 1HE LYS 603 10.513 -23.975 -3.036 790 2HE LYS 603 2HE LYS 603 9.295 -23.448 -4.188 791 1HZ LYS 603 1HZ LYS 603 8.806 -21.549 -2.771 792 2HZ LYS 603 2HZ LYS 603 10.451 -21.595 -3.102 793 3HZ LYS 603 3HZ LYS 603 9.897 -22.091 -1.605 794 H GLY 604 H GLY 604 10.655 -27.366 2.506 795 1HA GLY 604 1HA GLY 604 13.276 -28.326 1.628 796 2HA GLY 604 2HA GLY 604 12.597 -28.507 3.240 797 H GLY 605 H GLY 605 10.297 -29.071 0.896 798 1HA GLY 605 1HA GLY 605 10.364 -31.920 1.375 799 2HA GLY 605 2HA GLY 605 9.159 -31.042 0.431 800 H PHE 606 H PHE 606 10.390 -29.823 -1.499 801 HA PHE 606 HA PHE 606 12.607 -31.046 -2.710 802 1HB PHE 606 1HB PHE 606 10.644 -32.773 -3.049 803 2HB PHE 606 2HB PHE 606 10.023 -31.547 -4.154 804 HD1 PHE 606 HD1 PHE 606 12.843 -33.823 -3.514 805 HD2 PHE 606 HD2 PHE 606 10.912 -31.303 -6.330 806 HE1 PHE 606 HE1 PHE 606 14.269 -34.729 -5.298 807 HE2 PHE 606 HE2 PHE 606 12.329 -32.198 -8.118 808 HZ PHE 606 HZ PHE 606 14.013 -33.912 -7.606 809 H THR 607 H THR 607 13.019 -29.875 -4.743 810 HA THR 607 HA THR 607 11.924 -27.269 -4.633 811 HB THR 607 HB THR 607 13.295 -26.918 -6.741 812 HG1 THR 607 HG1 THR 607 13.173 -29.269 -7.179 813 1HG2 THR 607 1HG2 THR 607 14.704 -28.068 -4.317 814 2HG2 THR 607 2HG2 THR 607 14.175 -26.397 -4.503 815 3HG2 THR 607 3HG2 THR 607 15.447 -27.039 -5.542 816 H ILE 608 H ILE 608 10.427 -26.329 -5.893 817 HA ILE 608 HA ILE 608 8.769 -28.092 -7.563 818 HB ILE 608 HB ILE 608 8.174 -25.246 -6.677 819 1HG1 ILE 608 1HG1 ILE 608 8.538 -26.600 -4.647 820 2HG1 ILE 608 2HG1 ILE 608 6.854 -26.116 -4.798 821 1HG2 ILE 608 1HG2 ILE 608 5.831 -25.822 -7.031 822 2HG2 ILE 608 2HG2 ILE 608 6.303 -27.437 -7.541 823 3HG2 ILE 608 3HG2 ILE 608 6.790 -26.037 -8.497 824 1HD1 ILE 608 1HD1 ILE 608 6.322 -28.366 -5.647 825 2HD1 ILE 608 2HD1 ILE 608 7.017 -28.392 -4.029 826 3HD1 ILE 608 3HD1 ILE 608 8.012 -28.826 -5.422 827 H THR 609 H THR 609 8.150 -27.178 -9.682 828 HA THR 609 HA THR 609 10.171 -25.671 -10.978 829 HB THR 609 HB THR 609 7.338 -26.178 -11.819 830 HG1 THR 609 HG1 THR 609 9.668 -27.790 -12.185 831 1HG2 THR 609 1HG2 THR 609 9.877 -25.770 -13.427 832 2HG2 THR 609 2HG2 THR 609 8.498 -24.665 -13.320 833 3HG2 THR 609 3HG2 THR 609 8.324 -26.219 -14.123 834 H GLU 610 H GLU 610 10.280 -23.784 -9.765 835 HA GLU 610 HA GLU 610 7.902 -22.220 -9.223 836 1HB GLU 610 1HB GLU 610 9.455 -20.722 -8.016 837 2HB GLU 610 2HB GLU 610 9.504 -22.386 -7.446 838 1HG GLU 610 1HG GLU 610 11.557 -22.790 -8.537 839 2HG GLU 610 2HG GLU 610 11.442 -21.282 -9.441 840 H GLU 611 H GLU 611 10.347 -22.397 -11.494 841 HA GLU 611 HA GLU 611 11.022 -21.165 -13.292 842 1HB GLU 611 1HB GLU 611 8.210 -20.485 -12.834 843 2HB GLU 611 2HB GLU 611 9.017 -20.040 -14.377 844 1HG GLU 611 1HG GLU 611 9.350 -22.422 -14.782 845 2HG GLU 611 2HG GLU 611 8.714 -22.765 -13.171 846 H TYR 612 H TYR 612 11.860 -20.068 -10.982 847 HA TYR 612 HA TYR 612 12.683 -18.316 -9.954 848 1HB TYR 612 1HB TYR 612 12.156 -16.916 -12.582 849 2HB TYR 612 2HB TYR 612 13.005 -16.164 -11.233 850 HD1 TYR 612 HD1 TYR 612 13.187 -18.833 -13.785 851 HD2 TYR 612 HD2 TYR 612 15.259 -16.773 -10.694 852 HE1 TYR 612 HE1 TYR 612 15.296 -19.873 -14.510 853 HE2 TYR 612 HE2 TYR 612 17.369 -17.805 -11.413 854 HH TYR 612 HH TYR 612 18.131 -19.737 -12.596 855 H ASP 613 H ASP 613 11.254 -18.390 -8.395 856 HA ASP 613 HA ASP 613 8.900 -16.681 -8.507 857 1HB ASP 613 1HB ASP 613 8.600 -18.862 -7.512 858 2HB ASP 613 2HB ASP 613 9.936 -18.593 -6.400 859 H ASP 614 H ASP 614 8.971 -14.632 -7.872 860 HA ASP 614 HA ASP 614 10.966 -13.805 -5.900 861 1HB ASP 614 1HB ASP 614 11.780 -13.516 -8.348 862 2HB ASP 614 2HB ASP 614 10.555 -12.264 -8.473 863 H LYS 615 H LYS 615 10.390 -11.049 -6.155 864 HA LYS 615 HA LYS 615 7.543 -10.837 -5.640 865 1HB LYS 615 1HB LYS 615 8.106 -9.441 -3.611 866 2HB LYS 615 2HB LYS 615 8.504 -11.142 -3.436 867 1HG LYS 615 1HG LYS 615 10.866 -10.544 -4.084 868 2HG LYS 615 2HG LYS 615 10.391 -8.854 -3.941 869 1HD LYS 615 1HD LYS 615 9.749 -9.274 -1.595 870 2HD LYS 615 2HD LYS 615 10.316 -10.937 -1.763 871 1HE LYS 615 1HE LYS 615 12.546 -10.030 -2.408 872 2HE LYS 615 2HE LYS 615 11.947 -8.420 -2.010 873 1HZ LYS 615 1HZ LYS 615 12.392 -10.706 -0.194 874 2HZ LYS 615 2HZ LYS 615 11.415 -9.438 0.244 875 3HZ LYS 615 3HZ LYS 615 13.056 -9.156 -0.082 876 H GLN 616 H GLN 616 7.324 -9.823 -7.527 877 HA GLN 616 HA GLN 616 9.120 -7.651 -8.378 878 1HB GLN 616 1HB GLN 616 6.851 -8.878 -9.938 879 2HB GLN 616 2HB GLN 616 8.352 -8.188 -10.536 880 1HG GLN 616 1HG GLN 616 9.601 -10.076 -9.750 881 2HG GLN 616 2HG GLN 616 8.160 -10.756 -9.001 882 1HE2 GLN 616 1HE2 GLN 616 6.474 -11.459 -10.349 883 2HE2 GLN 616 2HE2 GLN 616 6.832 -12.015 -11.958 884 HA PRO 617 HA PRO 617 5.267 -5.103 -8.085 885 1HB PRO 617 1HB PRO 617 5.118 -3.661 -10.352 886 2HB PRO 617 2HB PRO 617 6.248 -3.250 -9.061 887 1HG PRO 617 1HG PRO 617 6.769 -4.546 -11.686 888 2HG PRO 617 2HG PRO 617 7.830 -3.509 -10.725 889 1HD PRO 617 1HD PRO 617 7.962 -6.289 -10.896 890 2HD PRO 617 2HD PRO 617 8.742 -5.296 -9.654 891 H LEU 618 H LEU 618 3.098 -4.994 -9.036 892 HA LEU 618 HA LEU 618 2.475 -7.386 -10.503 893 1HB LEU 618 1HB LEU 618 0.778 -5.113 -9.539 894 2HB LEU 618 2HB LEU 618 0.100 -6.403 -10.512 895 HG LEU 618 HG LEU 618 -0.484 -6.895 -8.306 896 1HD1 LEU 618 1HD1 LEU 618 0.621 -8.978 -7.769 897 2HD1 LEU 618 2HD1 LEU 618 1.910 -8.588 -8.901 898 3HD1 LEU 618 3HD1 LEU 618 0.266 -8.836 -9.491 899 1HD2 LEU 618 1HD2 LEU 618 1.072 -6.986 -6.413 900 2HD2 LEU 618 2HD2 LEU 618 1.020 -5.373 -7.127 901 3HD2 LEU 618 3HD2 LEU 618 2.378 -6.448 -7.466 902 H THR 619 H THR 619 3.094 -7.432 -12.476 903 HA THR 619 HA THR 619 2.387 -5.217 -14.193 904 HB THR 619 HB THR 619 4.739 -5.703 -15.269 905 HG1 THR 619 HG1 THR 619 4.989 -6.559 -12.571 906 1HG2 THR 619 1HG2 THR 619 4.394 -4.088 -12.726 907 2HG2 THR 619 2HG2 THR 619 4.061 -3.521 -14.365 908 3HG2 THR 619 3HG2 THR 619 5.713 -3.898 -13.879 909 H SER 620 H SER 620 0.933 -6.242 -15.440 910 HA SER 620 HA SER 620 1.796 -8.722 -16.737 911 1HB SER 620 1HB SER 620 -1.026 -7.601 -16.544 912 2HB SER 620 2HB SER 620 -0.506 -9.198 -17.097 913 HG SER 620 HG SER 620 -1.080 -9.596 -15.124 914 H LYS 621 H LYS 621 2.688 -8.317 -18.636 915 HA LYS 621 HA LYS 621 1.985 -5.882 -20.086 916 1HB LYS 621 1HB LYS 621 4.389 -6.553 -19.571 917 2HB LYS 621 2HB LYS 621 4.184 -7.902 -20.660 918 1HG LYS 621 1HG LYS 621 3.984 -5.003 -21.500 919 2HG LYS 621 2HG LYS 621 5.456 -5.956 -21.588 920 1HD LYS 621 1HD LYS 621 4.253 -7.540 -23.091 921 2HD LYS 621 2HD LYS 621 2.876 -6.441 -23.081 922 1HE LYS 621 1HE LYS 621 4.353 -4.673 -23.986 923 2HE LYS 621 2HE LYS 621 5.663 -5.848 -24.080 924 1HZ LYS 621 1HZ LYS 621 3.144 -5.785 -25.604 925 2HZ LYS 621 2HZ LYS 621 4.008 -7.188 -25.466 926 3HZ LYS 621 3HZ LYS 621 4.724 -5.834 -26.214 927 H GLU 622 H GLU 622 2.798 -9.169 -21.189 928 HA GLU 622 HA GLU 622 1.003 -9.051 -23.432 929 1HB GLU 622 1HB GLU 622 2.566 -11.304 -22.186 930 2HB GLU 622 2HB GLU 622 1.647 -11.452 -23.676 931 1HG GLU 622 1HG GLU 622 3.961 -9.578 -23.256 932 2HG GLU 622 2HG GLU 622 4.078 -11.180 -23.981 933 H GLU 623 H GLU 623 0.998 -10.148 -20.219 934 HA GLU 623 HA GLU 623 -0.538 -10.748 -18.762 935 1HB GLU 623 1HB GLU 623 -2.527 -10.141 -20.933 936 2HB GLU 623 2HB GLU 623 -2.991 -10.656 -19.315 937 1HG GLU 623 1HG GLU 623 -1.772 -8.718 -18.393 938 2HG GLU 623 2HG GLU 623 -1.444 -8.180 -20.039 939 H GLU 624 H GLU 624 -0.850 -12.468 -21.789 940 HA GLU 624 HA GLU 624 -2.364 -14.619 -20.940 941 1HB GLU 624 1HB GLU 624 -0.124 -14.671 -22.944 942 2HB GLU 624 2HB GLU 624 -1.297 -15.959 -22.719 943 1HG GLU 624 1HG GLU 624 -3.086 -14.301 -23.232 944 2HG GLU 624 2HG GLU 624 -1.809 -13.164 -23.662 945 H GLU 625 H GLU 625 1.209 -14.725 -21.052 946 HA GLU 625 HA GLU 625 1.188 -17.168 -19.552 947 1HB GLU 625 1HB GLU 625 3.515 -15.382 -20.311 948 2HB GLU 625 2HB GLU 625 3.653 -16.996 -19.626 949 1HG GLU 625 1HG GLU 625 2.568 -17.946 -21.569 950 2HG GLU 625 2HG GLU 625 2.337 -16.342 -22.251 951 H ARG 626 H ARG 626 1.410 -13.824 -18.813 952 HA ARG 626 HA ARG 626 2.549 -14.031 -16.234 953 1HB ARG 626 1HB ARG 626 2.486 -11.889 -17.406 954 2HB ARG 626 2HB ARG 626 0.725 -11.905 -17.393 955 1HG ARG 626 1HG ARG 626 1.455 -10.403 -15.688 956 2HG ARG 626 2HG ARG 626 0.816 -11.841 -14.910 957 1HD ARG 626 1HD ARG 626 3.197 -12.674 -14.761 958 2HD ARG 626 2HD ARG 626 3.701 -11.055 -15.256 959 HE ARG 626 HE ARG 626 1.908 -11.249 -12.967 960 1HH1 ARG 626 1HH1 ARG 626 5.227 -10.599 -14.034 961 2HH1 ARG 626 2HH1 ARG 626 5.747 -10.210 -12.449 962 1HH2 ARG 626 1HH2 ARG 626 2.556 -10.759 -11.003 963 2HH2 ARG 626 2HH2 ARG 626 4.175 -10.353 -10.584 964 H ARG 627 H ARG 627 -0.808 -14.297 -17.457 965 HA ARG 627 HA ARG 627 -2.253 -14.139 -15.220 966 1HB ARG 627 1HB ARG 627 -2.972 -14.148 -17.551 967 2HB ARG 627 2HB ARG 627 -2.535 -15.841 -17.678 968 1HG ARG 627 1HG ARG 627 -4.141 -16.414 -16.082 969 2HG ARG 627 2HG ARG 627 -4.513 -14.683 -15.847 970 1HD ARG 627 1HD ARG 627 -6.203 -15.756 -17.330 971 2HD ARG 627 2HD ARG 627 -5.276 -14.512 -18.162 972 HE ARG 627 HE ARG 627 -4.587 -17.356 -18.397 973 1HH1 ARG 627 1HH1 ARG 627 -5.330 -14.251 -19.980 974 2HH1 ARG 627 2HH1 ARG 627 -5.262 -14.858 -21.557 975 1HH2 ARG 627 1HH2 ARG 627 -4.457 -18.182 -20.601 976 2HH2 ARG 627 2HH2 ARG 627 -4.754 -17.139 -21.923 977 H ILE 628 H ILE 628 -0.219 -16.743 -16.370 978 HA ILE 628 HA ILE 628 -1.294 -18.774 -14.690 979 HB ILE 628 HB ILE 628 1.404 -18.525 -16.038 980 1HG1 ILE 628 1HG1 ILE 628 -1.048 -20.077 -16.885 981 2HG1 ILE 628 2HG1 ILE 628 -0.622 -18.491 -17.517 982 1HG2 ILE 628 1HG2 ILE 628 1.478 -20.060 -14.197 983 2HG2 ILE 628 2HG2 ILE 628 1.546 -20.956 -15.726 984 3HG2 ILE 628 3HG2 ILE 628 0.048 -20.909 -14.787 985 1HD1 ILE 628 1HD1 ILE 628 1.434 -19.405 -18.416 986 2HD1 ILE 628 2HD1 ILE 628 0.024 -20.265 -19.038 987 3HD1 ILE 628 3HD1 ILE 628 1.023 -20.997 -17.776 988 H ALA 629 H ALA 629 1.304 -16.466 -14.454 989 HA ALA 629 HA ALA 629 2.354 -17.430 -11.984 990 1HB ALA 629 1HB ALA 629 2.684 -14.708 -13.263 991 2HB ALA 629 2HB ALA 629 3.727 -16.106 -13.524 992 3HB ALA 629 3HB ALA 629 3.655 -15.348 -11.932 993 H GLU 630 H GLU 630 0.115 -14.921 -12.927 994 HA GLU 630 HA GLU 630 -0.407 -13.817 -10.368 995 1HB GLU 630 1HB GLU 630 -2.199 -13.937 -12.801 996 2HB GLU 630 2HB GLU 630 -2.424 -12.886 -11.420 997 1HG GLU 630 1HG GLU 630 -0.027 -12.774 -13.226 998 2HG GLU 630 2HG GLU 630 -1.477 -11.813 -13.474 999 H MET 631 H MET 631 -1.400 -16.769 -11.877 1000 HA MET 631 HA MET 631 -3.799 -17.171 -10.409 1001 1HB MET 631 1HB MET 631 -3.400 -17.949 -12.686 1002 2HB MET 631 2HB MET 631 -2.092 -18.965 -12.109 1003 1HG MET 631 1HG MET 631 -3.659 -20.150 -10.730 1004 2HG MET 631 2HG MET 631 -4.969 -19.160 -11.400 1005 1HE MET 631 1HE MET 631 -5.475 -19.048 -14.046 1006 2HE MET 631 2HE MET 631 -4.787 -20.156 -15.228 1007 3HE MET 631 3HE MET 631 -3.769 -18.921 -14.490 1008 H GLY 632 H GLY 632 -0.442 -18.145 -10.281 1009 1HA GLY 632 1HA GLY 632 -0.928 -20.032 -8.128 1010 2HA GLY 632 2HA GLY 632 0.624 -19.686 -8.877 1011 H ARG 633 H ARG 633 0.461 -16.840 -8.542 1012 HA ARG 633 HA ARG 633 1.288 -16.746 -5.754 1013 1HB ARG 633 1HB ARG 633 1.576 -14.703 -7.968 1014 2HB ARG 633 2HB ARG 633 2.331 -14.630 -6.383 1015 1HG ARG 633 1HG ARG 633 3.656 -16.609 -6.912 1016 2HG ARG 633 2HG ARG 633 2.845 -16.734 -8.470 1017 1HD ARG 633 1HD ARG 633 3.753 -14.541 -9.098 1018 2HD ARG 633 2HD ARG 633 4.618 -14.466 -7.561 1019 HE ARG 633 HE ARG 633 5.205 -16.861 -8.919 1020 1HH1 ARG 633 1HH1 ARG 633 6.120 -13.434 -8.845 1021 2HH1 ARG 633 2HH1 ARG 633 7.529 -13.640 -9.783 1022 1HH2 ARG 633 1HH2 ARG 633 7.188 -17.144 -10.112 1023 2HH2 ARG 633 2HH2 ARG 633 8.180 -15.825 -10.507 1024 HA PRO 634 HA PRO 634 -2.358 -14.375 -4.599 1025 1HB PRO 634 1HB PRO 634 -1.058 -12.737 -2.755 1026 2HB PRO 634 2HB PRO 634 -1.860 -14.253 -2.371 1027 1HG PRO 634 1HG PRO 634 1.023 -13.680 -2.667 1028 2HG PRO 634 2HG PRO 634 0.218 -14.949 -1.747 1029 1HD PRO 634 1HD PRO 634 1.552 -15.364 -4.096 1030 2HD PRO 634 2HD PRO 634 0.250 -16.405 -3.495 1031 H ILE 635 H ILE 635 -3.138 -12.298 -5.192 1032 HA ILE 635 HA ILE 635 -1.089 -10.592 -6.303 1033 HB ILE 635 HB ILE 635 -2.643 -9.940 -8.182 1034 1HG1 ILE 635 1HG1 ILE 635 -4.220 -11.763 -8.959 1035 2HG1 ILE 635 2HG1 ILE 635 -4.058 -12.505 -7.380 1036 1HG2 ILE 635 1HG2 ILE 635 -1.959 -11.826 -9.580 1037 2HG2 ILE 635 2HG2 ILE 635 -1.526 -12.722 -8.122 1038 3HG2 ILE 635 3HG2 ILE 635 -0.665 -11.238 -8.536 1039 1HD1 ILE 635 1HD1 ILE 635 -5.065 -10.518 -6.367 1040 2HD1 ILE 635 2HD1 ILE 635 -6.125 -11.254 -7.568 1041 3HD1 ILE 635 3HD1 ILE 635 -5.222 -9.793 -7.965 1042 H LEU 636 H LEU 636 -2.161 -8.478 -7.135 1043 HA LEU 636 HA LEU 636 -2.576 -6.929 -4.807 1044 1HB LEU 636 1HB LEU 636 -1.368 -6.229 -6.740 1045 2HB LEU 636 2HB LEU 636 -2.834 -6.275 -7.714 1046 HG LEU 636 HG LEU 636 -3.734 -4.540 -6.098 1047 1HD1 LEU 636 1HD1 LEU 636 -2.144 -4.868 -4.313 1048 2HD1 LEU 636 2HD1 LEU 636 -2.076 -3.214 -4.917 1049 3HD1 LEU 636 3HD1 LEU 636 -0.824 -4.369 -5.370 1050 1HD2 LEU 636 1HD2 LEU 636 -3.052 -4.092 -8.336 1051 2HD2 LEU 636 2HD2 LEU 636 -1.372 -3.893 -7.792 1052 3HD2 LEU 636 3HD2 LEU 636 -2.635 -2.754 -7.256 1053 H GLY 637 H GLY 637 -4.336 -5.560 -4.340 1054 1HA GLY 637 1HA GLY 637 -6.972 -6.533 -4.967 1055 2HA GLY 637 2HA GLY 637 -6.529 -5.170 -3.961 1056 H GLU 638 H GLU 638 -6.605 -3.147 -4.740 1057 HA GLU 638 HA GLU 638 -6.794 -2.924 -7.634 1058 1HB GLU 638 1HB GLU 638 -9.015 -2.628 -6.644 1059 2HB GLU 638 2HB GLU 638 -8.403 -1.294 -5.674 1060 1HG GLU 638 1HG GLU 638 -7.966 -0.002 -7.658 1061 2HG GLU 638 2HG GLU 638 -8.427 -1.364 -8.679 1062 H HIS 639 H HIS 639 -6.486 -0.607 -4.917 1063 HA HIS 639 HA HIS 639 -4.467 0.544 -6.648 1064 1HB HIS 639 1HB HIS 639 -4.890 2.763 -5.662 1065 2HB HIS 639 2HB HIS 639 -6.302 2.095 -6.450 1066 HD1 HIS 639 HD1 HIS 639 -5.245 3.687 -3.336 1067 HD2 HIS 639 HD2 HIS 639 -8.263 1.085 -4.524 1068 HE1 HIS 639 HE1 HIS 639 -7.023 3.826 -1.574 1069 H THR 640 H THR 640 -2.539 0.174 -6.128 1070 HA THR 640 HA THR 640 -1.915 0.429 -3.324 1071 HB THR 640 HB THR 640 -0.959 -1.620 -3.906 1072 HG1 THR 640 HG1 THR 640 1.132 0.180 -4.438 1073 1HG2 THR 640 1HG2 THR 640 -1.210 -1.477 -6.339 1074 2HG2 THR 640 2HG2 THR 640 0.397 -2.047 -5.848 1075 3HG2 THR 640 3HG2 THR 640 0.180 -0.374 -6.408 1076 H LYS 641 H LYS 641 -1.904 2.517 -3.198 1077 HA LYS 641 HA LYS 641 0.429 3.907 -3.839 1078 1HB LYS 641 1HB LYS 641 -0.921 3.946 -6.074 1079 2HB LYS 641 2HB LYS 641 -2.043 4.984 -5.216 1080 1HG LYS 641 1HG LYS 641 0.891 5.625 -5.559 1081 2HG LYS 641 2HG LYS 641 -0.370 6.177 -6.664 1082 1HD LYS 641 1HD LYS 641 -1.415 7.384 -4.787 1083 2HD LYS 641 2HD LYS 641 -0.124 6.792 -3.729 1084 1HE LYS 641 1HE LYS 641 0.304 9.098 -4.496 1085 2HE LYS 641 2HE LYS 641 1.532 7.973 -5.057 1086 1HZ LYS 641 1HZ LYS 641 0.486 7.940 -7.225 1087 2HZ LYS 641 2HZ LYS 641 0.811 9.524 -6.779 1088 3HZ LYS 641 3HZ LYS 641 -0.762 8.934 -6.675 1089 H LEU 642 H LEU 642 0.596 5.043 -2.143 1090 HA LEU 642 HA LEU 642 -1.783 6.183 -0.884 1091 1HB LEU 642 1HB LEU 642 -0.996 4.254 0.385 1092 2HB LEU 642 2HB LEU 642 0.619 4.938 0.388 1093 HG LEU 642 HG LEU 642 -0.321 6.889 1.635 1094 1HD1 LEU 642 1HD1 LEU 642 -2.377 6.510 2.901 1095 2HD1 LEU 642 2HD1 LEU 642 -2.668 5.047 1.961 1096 3HD1 LEU 642 3HD1 LEU 642 -2.657 6.622 1.163 1097 1HD2 LEU 642 1HD2 LEU 642 -0.493 4.238 3.036 1098 2HD2 LEU 642 2HD2 LEU 642 -0.108 5.852 3.701 1099 3HD2 LEU 642 3HD2 LEU 642 1.009 5.063 2.606 1100 H GLU 643 H GLU 643 -1.552 8.271 -1.173 1101 HA GLU 643 HA GLU 643 1.091 9.469 -1.298 1102 1HB GLU 643 1HB GLU 643 -0.789 9.874 -2.974 1103 2HB GLU 643 2HB GLU 643 -1.620 10.690 -1.668 1104 1HG GLU 643 1HG GLU 643 0.044 12.388 -1.570 1105 2HG GLU 643 2HG GLU 643 1.056 11.517 -2.725 1106 H VAL 644 H VAL 644 1.849 9.803 0.740 1107 HA VAL 644 HA VAL 644 -0.004 10.544 2.865 1108 HB VAL 644 HB VAL 644 2.965 10.077 3.002 1109 1HG1 VAL 644 1HG1 VAL 644 2.608 9.764 5.367 1110 2HG1 VAL 644 2HG1 VAL 644 0.871 9.941 5.157 1111 3HG1 VAL 644 3HG1 VAL 644 1.937 11.312 4.858 1112 1HG2 VAL 644 1HG2 VAL 644 1.849 8.094 2.090 1113 2HG2 VAL 644 2HG2 VAL 644 0.775 8.061 3.493 1114 3HG2 VAL 644 3HG2 VAL 644 2.507 7.802 3.694 1115 H ILE 645 H ILE 645 -0.421 12.714 2.772 1116 HA ILE 645 HA ILE 645 1.829 14.444 2.273 1117 HB ILE 645 HB ILE 645 -1.105 15.124 2.710 1118 1HG1 ILE 645 1HG1 ILE 645 -0.683 16.135 0.298 1119 2HG1 ILE 645 2HG1 ILE 645 0.693 15.070 0.312 1120 1HG2 ILE 645 1HG2 ILE 645 0.223 16.884 3.704 1121 2HG2 ILE 645 2HG2 ILE 645 -0.542 17.463 2.222 1122 3HG2 ILE 645 3HG2 ILE 645 1.172 17.037 2.224 1123 1HD1 ILE 645 1HD1 ILE 645 -2.161 14.199 0.640 1124 2HD1 ILE 645 2HD1 ILE 645 -0.758 13.135 0.598 1125 3HD1 ILE 645 3HD1 ILE 645 -1.209 14.061 -0.831 1126 H ILE 646 H ILE 646 3.060 15.159 3.797 1127 HA ILE 646 HA ILE 646 2.199 14.742 6.554 1128 HB ILE 646 HB ILE 646 5.033 15.348 5.629 1129 1HG1 ILE 646 1HG1 ILE 646 5.418 12.811 6.099 1130 2HG1 ILE 646 2HG1 ILE 646 3.688 12.674 5.837 1131 1HG2 ILE 646 1HG2 ILE 646 4.580 15.725 7.971 1132 2HG2 ILE 646 2HG2 ILE 646 5.682 14.361 7.747 1133 3HG2 ILE 646 3HG2 ILE 646 3.993 14.068 8.137 1134 1HD1 ILE 646 1HD1 ILE 646 5.649 13.790 3.862 1135 2HD1 ILE 646 2HD1 ILE 646 3.926 13.564 3.618 1136 3HD1 ILE 646 3HD1 ILE 646 4.978 12.158 3.840 1137 H GLU 647 H GLU 647 1.340 16.501 7.284 1138 HA GLU 647 HA GLU 647 2.393 19.031 6.340 1139 1HB GLU 647 1HB GLU 647 0.171 19.943 7.190 1140 2HB GLU 647 2HB GLU 647 0.133 18.942 5.751 1141 1HG GLU 647 1HG GLU 647 -0.502 17.016 7.213 1142 2HG GLU 647 2HG GLU 647 -0.665 18.153 8.546 1143 H GLU 648 H GLU 648 3.099 20.534 7.650 1144 HA GLU 648 HA GLU 648 4.138 19.647 10.119 1145 1HB GLU 648 1HB GLU 648 4.046 22.514 9.172 1146 2HB GLU 648 2HB GLU 648 5.240 21.759 10.228 1147 1HG GLU 648 1HG GLU 648 5.742 20.228 8.227 1148 2HG GLU 648 2HG GLU 648 4.877 21.428 7.278 1149 H SER 649 H SER 649 3.612 20.330 12.217 1150 HA SER 649 HA SER 649 0.795 20.389 12.402 1151 1HB SER 649 1HB SER 649 2.132 18.865 13.781 1152 2HB SER 649 2HB SER 649 2.805 20.249 14.639 1153 HG SER 649 HG SER 649 0.995 19.207 15.675 1154 H TYR 650 H TYR 650 0.483 22.381 11.554 1155 HA TYR 650 HA TYR 650 0.577 24.621 13.410 1156 1HB TYR 650 1HB TYR 650 0.797 25.520 11.273 1157 2HB TYR 650 2HB TYR 650 -0.123 24.223 10.531 1158 HD1 TYR 650 HD1 TYR 650 -0.558 27.317 12.608 1159 HD2 TYR 650 HD2 TYR 650 -2.304 24.572 9.865 1160 HE1 TYR 650 HE1 TYR 650 -2.549 28.761 12.418 1161 HE2 TYR 650 HE2 TYR 650 -4.280 25.980 9.679 1162 HH TYR 650 HH TYR 650 -5.410 27.682 10.759 1163 H GLU 651 H GLU 651 -1.604 22.441 11.815 1164 HA GLU 651 HA GLU 651 -3.447 22.171 13.949 1165 1HB GLU 651 1HB GLU 651 -4.064 24.399 12.611 1166 2HB GLU 651 2HB GLU 651 -4.532 23.285 11.343 1167 1HG GLU 651 1HG GLU 651 -6.172 22.244 12.947 1168 2HG GLU 651 2HG GLU 651 -5.719 23.482 14.108 1169 H PHE 652 H PHE 652 -5.394 21.037 12.164 1170 HA PHE 652 HA PHE 652 -4.024 19.382 10.320 1171 1HB PHE 652 1HB PHE 652 -3.594 18.280 12.561 1172 2HB PHE 652 2HB PHE 652 -5.333 18.167 12.783 1173 HD1 PHE 652 HD1 PHE 652 -2.795 17.283 10.189 1174 HD2 PHE 652 HD2 PHE 652 -6.252 16.106 12.371 1175 HE1 PHE 652 HE1 PHE 652 -2.747 15.095 9.075 1176 HE2 PHE 652 HE2 PHE 652 -6.215 13.915 11.250 1177 HZ PHE 652 HZ PHE 652 -4.463 13.409 9.604 1178 H LYS 653 H LYS 653 -5.588 18.561 8.876 1179 HA LYS 653 HA LYS 653 -7.538 18.332 7.810 1180 1HB LYS 653 1HB LYS 653 -8.819 18.802 10.489 1181 2HB LYS 653 2HB LYS 653 -9.645 18.209 9.050 1182 1HG LYS 653 1HG LYS 653 -8.071 16.270 9.059 1183 2HG LYS 653 2HG LYS 653 -7.467 16.888 10.599 1184 1HD LYS 653 1HD LYS 653 -10.312 16.162 10.042 1185 2HD LYS 653 2HD LYS 653 -9.157 15.071 10.809 1186 1HE LYS 653 1HE LYS 653 -8.879 16.732 12.648 1187 2HE LYS 653 2HE LYS 653 -10.096 17.753 11.885 1188 1HZ LYS 653 1HZ LYS 653 -11.700 15.912 12.184 1189 2HZ LYS 653 2HZ LYS 653 -11.096 16.454 13.651 1190 3HZ LYS 653 3HZ LYS 653 -10.537 15.026 13.003 1191 H SER 654 H SER 654 -6.262 21.031 8.326 1192 HA SER 654 HA SER 654 -8.416 22.883 8.352 1193 1HB SER 654 1HB SER 654 -5.542 23.269 7.454 1194 2HB SER 654 2HB SER 654 -6.706 24.557 7.751 1195 HG SER 654 HG SER 654 -6.822 23.460 9.988 1196 H THR 655 H THR 655 -6.513 21.277 5.862 1197 HA THR 655 HA THR 655 -8.595 21.666 3.925 1198 HB THR 655 HB THR 655 -5.825 22.855 3.433 1199 HG1 THR 655 HG1 THR 655 -7.970 23.929 4.510 1200 1HG2 THR 655 1HG2 THR 655 -8.237 22.783 1.613 1201 2HG2 THR 655 2HG2 THR 655 -6.789 21.797 1.419 1202 3HG2 THR 655 3HG2 THR 655 -6.689 23.552 1.253 1203 H VAL 656 H VAL 656 -8.569 19.864 2.566 1204 HA VAL 656 HA VAL 656 -6.296 18.078 2.882 1205 HB VAL 656 HB VAL 656 -7.587 16.377 1.671 1206 1HG1 VAL 656 1HG1 VAL 656 -9.427 16.038 3.256 1207 2HG1 VAL 656 2HG1 VAL 656 -9.215 17.690 3.832 1208 3HG1 VAL 656 3HG1 VAL 656 -7.926 16.507 4.055 1209 1HG2 VAL 656 1HG2 VAL 656 -8.795 17.832 0.104 1210 2HG2 VAL 656 2HG2 VAL 656 -9.782 18.441 1.435 1211 3HG2 VAL 656 3HG2 VAL 656 -9.897 16.750 0.955 1212 H ASP 657 H ASP 657 -5.219 17.191 0.978 1213 HA ASP 657 HA ASP 657 -5.443 18.755 -1.456 1214 1HB ASP 657 1HB ASP 657 -3.916 20.109 0.001 1215 2HB ASP 657 2HB ASP 657 -2.852 18.716 0.135 Start of MODEL 16 1 1H HIS 501 1H HIS 501 -5.556 -15.295 -8.933 2 HA HIS 501 HA HIS 501 -6.924 -13.852 -7.544 3 1HB HIS 501 1HB HIS 501 -9.071 -14.577 -8.636 4 2HB HIS 501 2HB HIS 501 -8.908 -16.126 -7.830 5 HD1 HIS 501 HD1 HIS 501 -10.846 -13.240 -7.504 6 HD2 HIS 501 HD2 HIS 501 -8.567 -15.403 -4.779 7 HE1 HIS 501 HE1 HIS 501 -11.844 -12.782 -5.239 8 H ALA 502 H ALA 502 -5.450 -14.181 -6.027 9 HA ALA 502 HA ALA 502 -5.780 -16.610 -4.416 10 1HB ALA 502 1HB ALA 502 -3.433 -16.444 -3.745 11 2HB ALA 502 2HB ALA 502 -3.225 -15.033 -4.773 12 3HB ALA 502 3HB ALA 502 -3.563 -16.613 -5.498 13 H GLY 503 H GLY 503 -4.091 -13.545 -4.026 14 1HA GLY 503 1HA GLY 503 -6.027 -12.836 -2.008 15 2HA GLY 503 2HA GLY 503 -4.318 -12.768 -1.565 16 H ILE 504 H ILE 504 -6.525 -10.810 -1.999 17 HA ILE 504 HA ILE 504 -5.400 -9.030 -4.029 18 HB ILE 504 HB ILE 504 -8.143 -9.198 -2.738 19 1HG1 ILE 504 1HG1 ILE 504 -8.887 -9.495 -5.209 20 2HG1 ILE 504 2HG1 ILE 504 -7.204 -9.873 -5.531 21 1HG2 ILE 504 1HG2 ILE 504 -7.170 -7.241 -4.830 22 2HG2 ILE 504 2HG2 ILE 504 -7.527 -6.868 -3.150 23 3HG2 ILE 504 3HG2 ILE 504 -8.834 -7.354 -4.240 24 1HD1 ILE 504 1HD1 ILE 504 -7.359 -11.760 -3.959 25 2HD1 ILE 504 2HD1 ILE 504 -8.520 -11.889 -5.278 26 3HD1 ILE 504 3HD1 ILE 504 -9.059 -11.383 -3.681 27 H PHE 505 H PHE 505 -3.864 -7.881 -2.817 28 HA PHE 505 HA PHE 505 -4.707 -6.776 -0.222 29 1HB PHE 505 1HB PHE 505 -2.006 -7.070 -1.512 30 2HB PHE 505 2HB PHE 505 -2.258 -6.284 0.046 31 HD1 PHE 505 HD1 PHE 505 -2.854 -7.596 2.000 32 HD2 PHE 505 HD2 PHE 505 -2.166 -9.464 -1.759 33 HE1 PHE 505 HE1 PHE 505 -2.695 -9.778 3.117 34 HE2 PHE 505 HE2 PHE 505 -2.005 -11.652 -0.648 35 HZ PHE 505 HZ PHE 505 -2.270 -11.809 1.792 36 H THR 506 H THR 506 -5.199 -4.619 -0.123 37 HA THR 506 HA THR 506 -3.991 -2.814 -2.024 38 HB THR 506 HB THR 506 -6.081 -3.603 -3.143 39 HG1 THR 506 HG1 THR 506 -6.541 -0.922 -2.352 40 1HG2 THR 506 1HG2 THR 506 -7.436 -4.096 -1.154 41 2HG2 THR 506 2HG2 THR 506 -8.287 -2.992 -2.239 42 3HG2 THR 506 3HG2 THR 506 -7.514 -2.372 -0.783 43 H PHE 507 H PHE 507 -4.343 -0.547 -1.371 44 HA PHE 507 HA PHE 507 -4.611 -0.264 1.528 45 1HB PHE 507 1HB PHE 507 -3.729 1.612 -0.667 46 2HB PHE 507 2HB PHE 507 -4.088 2.174 0.954 47 HD1 PHE 507 HD1 PHE 507 -2.786 0.985 2.851 48 HD2 PHE 507 HD2 PHE 507 -1.575 1.028 -1.220 49 HE1 PHE 507 HE1 PHE 507 -0.478 0.608 3.544 50 HE2 PHE 507 HE2 PHE 507 0.749 0.626 -0.537 51 HZ PHE 507 HZ PHE 507 1.303 0.421 1.855 52 H GLU 508 H GLU 508 -6.048 1.225 2.416 53 HA GLU 508 HA GLU 508 -8.468 1.488 0.838 54 1HB GLU 508 1HB GLU 508 -8.301 0.846 3.399 55 2HB GLU 508 2HB GLU 508 -8.103 2.576 3.609 56 1HG GLU 508 1HG GLU 508 -10.249 2.950 2.443 57 2HG GLU 508 2HG GLU 508 -10.380 1.188 2.312 58 H GLU 509 H GLU 509 -5.892 3.311 2.265 59 HA GLU 509 HA GLU 509 -6.859 5.852 1.241 60 1HB GLU 509 1HB GLU 509 -4.581 5.062 3.015 61 2HB GLU 509 2HB GLU 509 -4.604 6.611 2.213 62 1HG GLU 509 1HG GLU 509 -5.296 6.967 4.309 63 2HG GLU 509 2HG GLU 509 -6.752 7.046 3.322 64 HA PRO 510 HA PRO 510 -3.718 5.394 -1.963 65 1HB PRO 510 1HB PRO 510 -4.922 7.495 -3.443 66 2HB PRO 510 2HB PRO 510 -4.950 5.782 -3.825 67 1HG PRO 510 1HG PRO 510 -7.182 7.314 -3.046 68 2HG PRO 510 2HG PRO 510 -7.100 5.550 -3.089 69 1HD PRO 510 1HD PRO 510 -6.895 7.395 -0.765 70 2HD PRO 510 2HD PRO 510 -7.477 5.717 -0.837 71 H VAL 511 H VAL 511 -5.015 7.852 -0.068 72 HA VAL 511 HA VAL 511 -2.559 9.437 0.046 73 HB VAL 511 HB VAL 511 -5.348 10.616 -0.404 74 1HG1 VAL 511 1HG1 VAL 511 -2.766 12.036 0.066 75 2HG1 VAL 511 2HG1 VAL 511 -4.137 11.939 1.172 76 3HG1 VAL 511 3HG1 VAL 511 -4.297 12.801 -0.362 77 1HG2 VAL 511 1HG2 VAL 511 -2.932 10.917 -2.153 78 2HG2 VAL 511 2HG2 VAL 511 -4.563 11.539 -2.451 79 3HG2 VAL 511 3HG2 VAL 511 -4.260 9.793 -2.447 80 H THR 512 H THR 512 -2.210 10.085 2.095 81 HA THR 512 HA THR 512 -4.458 10.075 3.902 82 HB THR 512 HB THR 512 -3.236 7.846 4.166 83 HG1 THR 512 HG1 THR 512 -3.522 7.906 6.309 84 1HG2 THR 512 1HG2 THR 512 -1.058 7.863 5.331 85 2HG2 THR 512 2HG2 THR 512 -1.037 9.620 5.223 86 3HG2 THR 512 3HG2 THR 512 -0.967 8.649 3.746 87 H HIS 513 H HIS 513 -4.184 11.550 5.602 88 HA HIS 513 HA HIS 513 -1.915 13.329 5.265 89 1HB HIS 513 1HB HIS 513 -4.806 13.970 5.771 90 2HB HIS 513 2HB HIS 513 -3.545 15.066 6.330 91 HD1 HIS 513 HD1 HIS 513 -2.795 16.727 4.695 92 HD2 HIS 513 HD2 HIS 513 -4.617 13.496 2.863 93 HE1 HIS 513 HE1 HIS 513 -2.843 17.256 2.203 94 H VAL 514 H VAL 514 -0.735 13.684 6.936 95 HA VAL 514 HA VAL 514 -1.705 12.698 9.521 96 HB VAL 514 HB VAL 514 0.374 11.565 10.024 97 1HG1 VAL 514 1HG1 VAL 514 -0.591 10.669 7.322 98 2HG1 VAL 514 2HG1 VAL 514 -1.281 10.204 8.877 99 3HG1 VAL 514 3HG1 VAL 514 0.355 9.699 8.445 100 1HG2 VAL 514 1HG2 VAL 514 1.339 12.381 7.281 101 2HG2 VAL 514 2HG2 VAL 514 2.189 11.293 8.379 102 3HG2 VAL 514 3HG2 VAL 514 1.943 12.981 8.826 103 H SER 515 H SER 515 -0.661 13.626 11.314 104 HA SER 515 HA SER 515 0.098 16.351 10.871 105 1HB SER 515 1HB SER 515 -1.252 15.554 12.829 106 2HB SER 515 2HB SER 515 0.146 14.650 13.372 107 HG SER 515 HG SER 515 -0.448 17.133 13.875 108 H GLU 516 H GLU 516 2.227 17.169 11.375 109 HA GLU 516 HA GLU 516 4.273 15.137 11.206 110 1HB GLU 516 1HB GLU 516 4.409 17.318 9.930 111 2HB GLU 516 2HB GLU 516 4.693 18.106 11.476 112 1HG GLU 516 1HG GLU 516 6.720 16.869 11.806 113 2HG GLU 516 2HG GLU 516 6.413 15.913 10.356 114 H SER 517 H SER 517 2.476 16.493 13.577 115 HA SER 517 HA SER 517 4.562 16.396 15.594 116 1HB SER 517 1HB SER 517 1.614 17.090 15.812 117 2HB SER 517 2HB SER 517 2.831 17.292 17.080 118 HG SER 517 HG SER 517 3.882 18.463 15.111 119 H ILE 518 H ILE 518 3.347 14.175 13.967 120 HA ILE 518 HA ILE 518 2.347 12.418 16.073 121 HB ILE 518 HB ILE 518 1.220 12.727 13.712 122 1HG1 ILE 518 1HG1 ILE 518 1.858 9.975 14.729 123 2HG1 ILE 518 2HG1 ILE 518 0.635 11.048 15.417 124 1HG2 ILE 518 1HG2 ILE 518 3.238 12.415 12.360 125 2HG2 ILE 518 2HG2 ILE 518 2.054 11.158 12.001 126 3HG2 ILE 518 3HG2 ILE 518 3.450 10.794 13.022 127 1HD1 ILE 518 1HD1 ILE 518 0.712 9.876 12.687 128 2HD1 ILE 518 2HD1 ILE 518 -0.421 11.115 13.232 129 3HD1 ILE 518 3HD1 ILE 518 -0.439 9.493 13.993 130 H GLY 519 H GLY 519 3.480 10.390 16.338 131 1HA GLY 519 1HA GLY 519 6.288 10.563 15.564 132 2HA GLY 519 2HA GLY 519 5.576 9.461 16.749 133 H ILE 520 H ILE 520 3.845 8.061 15.762 134 HA ILE 520 HA ILE 520 4.934 6.843 13.331 135 HB ILE 520 HB ILE 520 3.734 5.583 15.802 136 1HG1 ILE 520 1HG1 ILE 520 6.131 6.060 15.917 137 2HG1 ILE 520 2HG1 ILE 520 5.832 4.325 15.915 138 1HG2 ILE 520 1HG2 ILE 520 4.304 4.207 13.189 139 2HG2 ILE 520 2HG2 ILE 520 2.723 4.461 13.925 140 3HG2 ILE 520 3HG2 ILE 520 3.896 3.394 14.701 141 1HD1 ILE 520 1HD1 ILE 520 6.767 5.998 13.598 142 2HD1 ILE 520 2HD1 ILE 520 6.386 4.285 13.508 143 3HD1 ILE 520 3HD1 ILE 520 7.724 4.840 14.517 144 H MET 521 H MET 521 3.608 6.786 11.703 145 HA MET 521 HA MET 521 0.734 6.857 12.264 146 1HB MET 521 1HB MET 521 0.350 7.799 10.009 147 2HB MET 521 2HB MET 521 1.455 8.826 10.892 148 1HG MET 521 1HG MET 521 2.318 8.800 8.747 149 2HG MET 521 2HG MET 521 3.283 7.571 9.554 150 1HE MET 521 1HE MET 521 3.960 6.904 6.912 151 2HE MET 521 2HE MET 521 2.781 8.038 6.287 152 3HE MET 521 3HE MET 521 2.746 6.373 5.761 153 H GLU 522 H GLU 522 -0.517 5.301 11.573 154 HA GLU 522 HA GLU 522 0.767 3.074 10.145 155 1HB GLU 522 1HB GLU 522 -1.066 3.028 12.501 156 2HB GLU 522 2HB GLU 522 -1.007 1.676 11.385 157 1HG GLU 522 1HG GLU 522 1.313 1.368 11.838 158 2HG GLU 522 2HG GLU 522 1.333 2.761 12.943 159 H VAL 523 H VAL 523 -0.251 2.274 8.496 160 HA VAL 523 HA VAL 523 -2.971 3.240 7.927 161 HB VAL 523 HB VAL 523 -0.875 2.580 5.862 162 1HG1 VAL 523 1HG1 VAL 523 -3.154 2.426 5.046 163 2HG1 VAL 523 2HG1 VAL 523 -2.318 3.796 4.317 164 3HG1 VAL 523 3HG1 VAL 523 -3.486 4.066 5.613 165 1HG2 VAL 523 1HG2 VAL 523 -1.554 5.233 7.094 166 2HG2 VAL 523 2HG2 VAL 523 -0.727 5.045 5.552 167 3HG2 VAL 523 3HG2 VAL 523 0.009 4.391 7.025 168 H LYS 524 H LYS 524 -4.381 1.739 7.161 169 HA LYS 524 HA LYS 524 -3.719 -1.018 7.656 170 1HB LYS 524 1HB LYS 524 -6.288 0.356 6.946 171 2HB LYS 524 2HB LYS 524 -6.138 -1.374 7.184 172 1HG LYS 524 1HG LYS 524 -5.367 0.637 9.214 173 2HG LYS 524 2HG LYS 524 -7.006 -0.061 9.158 174 1HD LYS 524 1HD LYS 524 -5.792 -2.299 9.338 175 2HD LYS 524 2HD LYS 524 -4.347 -1.363 9.718 176 1HE LYS 524 1HE LYS 524 -6.948 -1.301 11.218 177 2HE LYS 524 2HE LYS 524 -5.485 -2.142 11.719 178 1HZ LYS 524 1HZ LYS 524 -5.629 0.820 11.332 179 2HZ LYS 524 2HZ LYS 524 -4.375 -0.046 12.065 180 3HZ LYS 524 3HZ LYS 524 -5.870 0.051 12.792 181 H VAL 525 H VAL 525 -3.634 -2.538 6.294 182 HA VAL 525 HA VAL 525 -4.136 -2.051 3.425 183 HB VAL 525 HB VAL 525 -2.582 -4.372 4.619 184 1HG1 VAL 525 1HG1 VAL 525 -1.678 -4.626 2.351 185 2HG1 VAL 525 2HG1 VAL 525 -2.667 -3.262 1.826 186 3HG1 VAL 525 3HG1 VAL 525 -3.443 -4.749 2.379 187 1HG2 VAL 525 1HG2 VAL 525 -1.405 -2.348 5.220 188 2HG2 VAL 525 2HG2 VAL 525 -1.444 -1.795 3.546 189 3HG2 VAL 525 3HG2 VAL 525 -0.503 -3.225 3.983 190 H LEU 526 H LEU 526 -5.991 -3.000 2.735 191 HA LEU 526 HA LEU 526 -7.666 -4.327 4.592 192 1HB LEU 526 1HB LEU 526 -7.956 -4.237 1.583 193 2HB LEU 526 2HB LEU 526 -9.147 -4.848 2.705 194 HG LEU 526 HG LEU 526 -9.864 -2.714 1.946 195 1HD1 LEU 526 1HD1 LEU 526 -10.021 -1.379 3.944 196 2HD1 LEU 526 2HD1 LEU 526 -8.806 -2.393 4.732 197 3HD1 LEU 526 3HD1 LEU 526 -10.364 -3.083 4.253 198 1HD2 LEU 526 1HD2 LEU 526 -7.717 -1.869 1.176 199 2HD2 LEU 526 2HD2 LEU 526 -7.246 -1.560 2.850 200 3HD2 LEU 526 3HD2 LEU 526 -8.606 -0.694 2.132 201 H ARG 527 H ARG 527 -8.112 -6.396 4.939 202 HA ARG 527 HA ARG 527 -6.203 -8.239 3.821 203 1HB ARG 527 1HB ARG 527 -6.661 -8.309 6.261 204 2HB ARG 527 2HB ARG 527 -8.335 -8.725 5.918 205 1HG ARG 527 1HG ARG 527 -7.683 -10.808 4.946 206 2HG ARG 527 2HG ARG 527 -5.980 -10.369 5.087 207 1HD ARG 527 1HD ARG 527 -6.441 -11.858 6.909 208 2HD ARG 527 2HD ARG 527 -6.306 -10.245 7.537 209 HE ARG 527 HE ARG 527 -8.749 -10.101 7.576 210 1HH1 ARG 527 1HH1 ARG 527 -7.272 -13.348 7.623 211 2HH1 ARG 527 2HH1 ARG 527 -8.566 -14.065 8.454 212 1HH2 ARG 527 1HH2 ARG 527 -10.509 -11.129 8.767 213 2HH2 ARG 527 2HH2 ARG 527 -10.430 -12.789 9.118 214 H THR 528 H THR 528 -6.681 -9.934 2.573 215 HA THR 528 HA THR 528 -8.960 -9.461 0.935 216 HB THR 528 HB THR 528 -6.797 -9.423 -0.034 217 HG1 THR 528 HG1 THR 528 -8.445 -10.261 -1.302 218 1HG2 THR 528 1HG2 THR 528 -5.377 -11.431 -0.134 219 2HG2 THR 528 2HG2 THR 528 -6.480 -12.261 0.963 220 3HG2 THR 528 3HG2 THR 528 -5.574 -10.854 1.519 221 H SER 529 H SER 529 -9.882 -11.200 -0.137 222 HA SER 529 HA SER 529 -11.398 -13.103 0.874 223 1HB SER 529 1HB SER 529 -9.870 -12.963 -1.681 224 2HB SER 529 2HB SER 529 -11.488 -13.581 -1.559 225 HG SER 529 HG SER 529 -12.166 -11.493 -0.974 226 H GLY 530 H GLY 530 -7.994 -13.254 -0.131 227 1HA GLY 530 1HA GLY 530 -7.924 -16.100 0.592 228 2HA GLY 530 2HA GLY 530 -7.031 -15.438 -0.772 229 H ALA 531 H ALA 531 -7.407 -14.944 2.703 230 HA ALA 531 HA ALA 531 -4.588 -14.294 2.902 231 1HB ALA 531 1HB ALA 531 -5.085 -14.000 5.316 232 2HB ALA 531 2HB ALA 531 -6.740 -14.538 5.026 233 3HB ALA 531 3HB ALA 531 -6.166 -13.033 4.310 234 H ARG 532 H ARG 532 -3.781 -16.266 2.158 235 HA ARG 532 HA ARG 532 -4.305 -18.552 3.899 236 1HB ARG 532 1HB ARG 532 -3.847 -18.517 0.926 237 2HB ARG 532 2HB ARG 532 -3.884 -19.975 1.903 238 1HG ARG 532 1HG ARG 532 -6.159 -18.032 1.524 239 2HG ARG 532 2HG ARG 532 -6.011 -19.624 0.774 240 1HD ARG 532 1HD ARG 532 -5.949 -20.619 3.036 241 2HD ARG 532 2HD ARG 532 -6.248 -19.026 3.717 242 HE ARG 532 HE ARG 532 -8.246 -19.460 1.904 243 1HH1 ARG 532 1HH1 ARG 532 -7.103 -20.980 4.902 244 2HH1 ARG 532 2HH1 ARG 532 -8.601 -21.648 5.316 245 1HH2 ARG 532 1HH2 ARG 532 -10.342 -20.347 2.502 246 2HH2 ARG 532 2HH2 ARG 532 -10.479 -21.291 3.919 247 H GLY 533 H GLY 533 -2.704 -19.621 4.681 248 1HA GLY 533 1HA GLY 533 -0.597 -20.421 5.089 249 2HA GLY 533 2HA GLY 533 -0.126 -19.820 3.506 250 H ASN 534 H ASN 534 1.424 -18.471 3.610 251 HA ASN 534 HA ASN 534 1.418 -16.343 5.590 252 1HB ASN 534 1HB ASN 534 2.969 -18.070 6.391 253 2HB ASN 534 2HB ASN 534 3.782 -18.106 4.836 254 1HD2 ASN 534 1HD2 ASN 534 2.823 -15.095 6.543 255 2HD2 ASN 534 2HD2 ASN 534 4.422 -14.648 6.913 256 H VAL 535 H VAL 535 1.624 -14.426 4.523 257 HA VAL 535 HA VAL 535 2.648 -14.532 1.799 258 HB VAL 535 HB VAL 535 0.194 -12.975 2.692 259 1HG1 VAL 535 1HG1 VAL 535 1.492 -13.231 -0.017 260 2HG1 VAL 535 2HG1 VAL 535 1.473 -11.777 0.982 261 3HG1 VAL 535 3HG1 VAL 535 -0.031 -12.408 0.298 262 1HG2 VAL 535 1HG2 VAL 535 -0.998 -14.454 1.083 263 2HG2 VAL 535 2HG2 VAL 535 -0.335 -15.298 2.491 264 3HG2 VAL 535 3HG2 VAL 535 0.506 -15.382 0.943 265 H ILE 536 H ILE 536 4.154 -13.179 1.502 266 HA ILE 536 HA ILE 536 4.614 -11.158 3.549 267 HB ILE 536 HB ILE 536 6.494 -12.320 1.477 268 1HG1 ILE 536 1HG1 ILE 536 6.012 -13.901 3.226 269 2HG1 ILE 536 2HG1 ILE 536 7.634 -13.264 3.479 270 1HG2 ILE 536 1HG2 ILE 536 7.030 -10.338 3.661 271 2HG2 ILE 536 2HG2 ILE 536 7.047 -9.989 1.930 272 3HG2 ILE 536 3HG2 ILE 536 8.261 -11.067 2.630 273 1HD1 ILE 536 1HD1 ILE 536 6.751 -11.756 5.208 274 2HD1 ILE 536 2HD1 ILE 536 6.425 -13.456 5.580 275 3HD1 ILE 536 3HD1 ILE 536 5.143 -12.430 4.954 276 H VAL 537 H VAL 537 4.352 -9.142 3.195 277 HA VAL 537 HA VAL 537 3.894 -8.289 0.450 278 HB VAL 537 HB VAL 537 2.699 -7.181 3.023 279 1HG1 VAL 537 1HG1 VAL 537 1.410 -5.644 1.589 280 2HG1 VAL 537 2HG1 VAL 537 2.238 -6.266 0.166 281 3HG1 VAL 537 3HG1 VAL 537 3.137 -5.355 1.368 282 1HG2 VAL 537 1HG2 VAL 537 1.689 -9.269 2.282 283 2HG2 VAL 537 2HG2 VAL 537 1.404 -8.570 0.687 284 3HG2 VAL 537 3HG2 VAL 537 0.568 -7.921 2.094 285 HA PRO 538 HA PRO 538 7.678 -5.923 1.525 286 1HB PRO 538 1HB PRO 538 8.444 -5.440 -1.010 287 2HB PRO 538 2HB PRO 538 8.721 -7.004 -0.238 288 1HG PRO 538 1HG PRO 538 6.578 -6.196 -2.158 289 2HG PRO 538 2HG PRO 538 7.525 -7.693 -2.099 290 1HD PRO 538 1HD PRO 538 4.983 -7.483 -1.144 291 2HD PRO 538 2HD PRO 538 6.172 -8.630 -0.498 292 H TYR 539 H TYR 539 8.144 -3.722 1.474 293 HA TYR 539 HA TYR 539 6.504 -1.915 -0.093 294 1HB TYR 539 1HB TYR 539 5.519 -0.741 1.808 295 2HB TYR 539 2HB TYR 539 5.078 -2.443 1.860 296 HD1 TYR 539 HD1 TYR 539 6.444 -3.964 3.409 297 HD2 TYR 539 HD2 TYR 539 6.449 0.274 3.714 298 HE1 TYR 539 HE1 TYR 539 7.233 -4.140 5.709 299 HE2 TYR 539 HE2 TYR 539 7.245 0.112 6.023 300 HH TYR 539 HH TYR 539 7.122 -1.679 7.864 301 H LYS 540 H LYS 540 7.142 0.368 0.312 302 HA LYS 540 HA LYS 540 9.568 0.860 1.775 303 1HB LYS 540 1HB LYS 540 10.853 1.684 -0.115 304 2HB LYS 540 2HB LYS 540 10.473 -0.016 -0.345 305 1HG LYS 540 1HG LYS 540 8.733 0.559 -1.920 306 2HG LYS 540 2HG LYS 540 9.000 2.277 -1.617 307 1HD LYS 540 1HD LYS 540 11.284 2.052 -2.437 308 2HD LYS 540 2HD LYS 540 10.990 0.347 -2.801 309 1HE LYS 540 1HE LYS 540 9.152 1.034 -4.290 310 2HE LYS 540 2HE LYS 540 9.555 2.716 -3.978 311 1HZ LYS 540 1HZ LYS 540 11.334 0.720 -5.283 312 2HZ LYS 540 2HZ LYS 540 11.746 2.335 -4.988 313 3HZ LYS 540 3HZ LYS 540 10.512 1.963 -6.057 314 H THR 541 H THR 541 10.011 3.114 1.959 315 HA THR 541 HA THR 541 7.785 4.872 1.363 316 HB THR 541 HB THR 541 9.369 6.466 2.666 317 HG1 THR 541 HG1 THR 541 11.233 5.108 2.693 318 1HG2 THR 541 1HG2 THR 541 8.065 4.127 4.052 319 2HG2 THR 541 2HG2 THR 541 7.275 5.638 3.599 320 3HG2 THR 541 3HG2 THR 541 8.539 5.632 4.831 321 H ILE 542 H ILE 542 7.887 5.817 -0.601 322 HA ILE 542 HA ILE 542 10.428 6.270 -1.908 323 HB ILE 542 HB ILE 542 7.621 7.082 -2.754 324 1HG1 ILE 542 1HG1 ILE 542 8.067 5.386 -4.655 325 2HG1 ILE 542 2HG1 ILE 542 9.383 4.805 -3.652 326 1HG2 ILE 542 1HG2 ILE 542 9.200 8.642 -3.689 327 2HG2 ILE 542 2HG2 ILE 542 8.543 7.612 -4.961 328 3HG2 ILE 542 3HG2 ILE 542 10.166 7.314 -4.337 329 1HD1 ILE 542 1HD1 ILE 542 6.474 4.850 -2.906 330 2HD1 ILE 542 2HD1 ILE 542 7.780 4.235 -1.898 331 3HD1 ILE 542 3HD1 ILE 542 7.385 3.431 -3.423 332 H GLU 543 H GLU 543 11.606 8.034 -1.658 333 HA GLU 543 HA GLU 543 11.094 10.025 0.209 334 1HB GLU 543 1HB GLU 543 12.975 10.121 -2.164 335 2HB GLU 543 2HB GLU 543 13.033 11.195 -0.775 336 1HG GLU 543 1HG GLU 543 13.552 9.336 0.683 337 2HG GLU 543 2HG GLU 543 13.406 8.208 -0.659 338 H GLY 544 H GLY 544 11.007 10.303 -3.332 339 1HA GLY 544 1HA GLY 544 9.580 11.451 -4.701 340 2HA GLY 544 2HA GLY 544 8.597 11.820 -3.295 341 H THR 545 H THR 545 9.292 13.558 -1.967 342 HA THR 545 HA THR 545 10.973 15.536 -3.325 343 HB THR 545 HB THR 545 8.603 16.029 -3.885 344 HG1 THR 545 HG1 THR 545 8.588 18.210 -3.049 345 1HG2 THR 545 1HG2 THR 545 7.049 16.788 -2.125 346 2HG2 THR 545 2HG2 THR 545 8.250 16.371 -0.903 347 3HG2 THR 545 3HG2 THR 545 7.526 15.106 -1.895 348 H ALA 546 H ALA 546 10.251 13.821 -0.547 349 HA ALA 546 HA ALA 546 10.908 15.809 1.402 350 1HB ALA 546 1HB ALA 546 10.651 12.818 1.660 351 2HB ALA 546 2HB ALA 546 9.340 13.975 1.862 352 3HB ALA 546 3HB ALA 546 10.702 13.980 2.986 353 H ARG 547 H ARG 547 12.554 14.788 3.116 354 HA ARG 547 HA ARG 547 15.140 14.745 1.811 355 1HB ARG 547 1HB ARG 547 14.462 14.755 4.733 356 2HB ARG 547 2HB ARG 547 16.073 14.763 4.083 357 1HG ARG 547 1HG ARG 547 14.045 16.939 3.753 358 2HG ARG 547 2HG ARG 547 15.482 16.885 4.806 359 1HD ARG 547 1HD ARG 547 16.938 16.788 2.885 360 2HD ARG 547 2HD ARG 547 15.548 16.757 1.802 361 HE ARG 547 HE ARG 547 16.324 19.027 3.491 362 1HH1 ARG 547 1HH1 ARG 547 14.782 17.753 0.555 363 2HH1 ARG 547 2HH1 ARG 547 14.416 19.287 -0.073 364 1HH2 ARG 547 1HH2 ARG 547 15.847 21.149 2.557 365 2HH2 ARG 547 2HH2 ARG 547 15.034 21.223 1.066 366 H GLY 548 H GLY 548 16.725 13.371 3.156 367 1HA GLY 548 1HA GLY 548 16.252 10.722 2.207 368 2HA GLY 548 2HA GLY 548 17.625 11.226 3.174 369 H GLY 549 H GLY 549 16.839 8.811 3.655 370 1HA GLY 549 1HA GLY 549 14.740 8.413 5.495 371 2HA GLY 549 2HA GLY 549 16.061 7.303 5.162 372 H GLY 550 H GLY 550 14.616 8.946 7.480 373 1HA GLY 550 1HA GLY 550 15.162 9.061 9.724 374 2HA GLY 550 2HA GLY 550 16.833 8.658 9.328 375 H GLU 551 H GLU 551 15.798 10.961 7.266 376 HA GLU 551 HA GLU 551 17.198 13.014 8.755 377 1HB GLU 551 1HB GLU 551 18.002 12.397 6.508 378 2HB GLU 551 2HB GLU 551 16.448 12.815 5.832 379 1HG GLU 551 1HG GLU 551 16.824 15.131 6.231 380 2HG GLU 551 2HG GLU 551 18.264 14.781 7.195 381 H ASP 552 H ASP 552 14.470 13.079 6.450 382 HA ASP 552 HA ASP 552 13.144 14.957 8.322 383 1HB ASP 552 1HB ASP 552 13.554 15.811 6.021 384 2HB ASP 552 2HB ASP 552 12.507 14.540 5.378 385 H PHE 553 H PHE 553 12.895 11.912 6.725 386 HA PHE 553 HA PHE 553 10.721 11.255 8.496 387 1HB PHE 553 1HB PHE 553 9.372 10.184 6.839 388 2HB PHE 553 2HB PHE 553 9.721 11.781 6.208 389 HD1 PHE 553 HD1 PHE 553 11.133 12.035 4.233 390 HD2 PHE 553 HD2 PHE 553 10.258 8.209 5.832 391 HE1 PHE 553 HE1 PHE 553 11.883 10.985 2.132 392 HE2 PHE 553 HE2 PHE 553 11.013 7.148 3.740 393 HZ PHE 553 HZ PHE 553 11.822 8.537 1.888 394 H GLU 554 H GLU 554 10.713 8.960 8.904 395 HA GLU 554 HA GLU 554 13.394 7.875 8.666 396 1HB GLU 554 1HB GLU 554 11.836 8.000 10.744 397 2HB GLU 554 2HB GLU 554 10.990 6.670 10.006 398 1HG GLU 554 1HG GLU 554 13.884 6.658 10.852 399 2HG GLU 554 2HG GLU 554 12.546 5.983 11.769 400 H ASP 555 H ASP 555 13.877 6.382 7.110 401 HA ASP 555 HA ASP 555 11.846 5.752 5.147 402 1HB ASP 555 1HB ASP 555 14.055 6.415 4.358 403 2HB ASP 555 2HB ASP 555 14.794 5.077 5.227 404 H THR 556 H THR 556 10.743 3.966 5.086 405 HA THR 556 HA THR 556 11.894 1.729 6.491 406 HB THR 556 HB THR 556 10.194 2.661 7.955 407 HG1 THR 556 HG1 THR 556 8.844 0.753 8.128 408 1HG2 THR 556 1HG2 THR 556 8.724 3.761 6.419 409 2HG2 THR 556 2HG2 THR 556 7.787 2.567 7.326 410 3HG2 THR 556 3HG2 THR 556 8.292 2.232 5.660 411 H CYS 557 H CYS 557 12.459 0.376 5.051 412 HA CYS 557 HA CYS 557 10.507 -0.469 3.086 413 1HB CYS 557 1HB CYS 557 12.566 -0.916 1.608 414 2HB CYS 557 2HB CYS 557 12.030 0.750 1.771 415 HG CYS 557 HG CYS 557 14.114 1.715 2.943 416 H GLY 558 H GLY 558 10.173 -2.637 3.062 417 1HA GLY 558 1HA GLY 558 11.986 -4.561 3.708 418 2HA GLY 558 2HA GLY 558 11.163 -4.106 5.202 419 H GLU 559 H GLU 559 10.106 -6.039 5.356 420 HA GLU 559 HA GLU 559 8.011 -6.468 3.353 421 1HB GLU 559 1HB GLU 559 9.743 -8.466 4.723 422 2HB GLU 559 2HB GLU 559 8.340 -8.868 3.726 423 1HG GLU 559 1HG GLU 559 9.452 -7.937 1.796 424 2HG GLU 559 2HG GLU 559 10.825 -7.448 2.794 425 H LEU 560 H LEU 560 6.083 -6.500 4.202 426 HA LEU 560 HA LEU 560 5.617 -6.629 7.037 427 1HB LEU 560 1HB LEU 560 3.796 -6.499 4.647 428 2HB LEU 560 2HB LEU 560 3.206 -6.568 6.292 429 HG LEU 560 HG LEU 560 4.972 -4.360 5.245 430 1HD1 LEU 560 1HD1 LEU 560 2.879 -4.408 4.018 431 2HD1 LEU 560 2HD1 LEU 560 2.954 -3.035 5.120 432 3HD1 LEU 560 3HD1 LEU 560 1.978 -4.447 5.538 433 1HD2 LEU 560 1HD2 LEU 560 4.157 -3.171 7.229 434 2HD2 LEU 560 2HD2 LEU 560 5.021 -4.642 7.669 435 3HD2 LEU 560 3HD2 LEU 560 3.257 -4.606 7.721 436 H GLU 561 H GLU 561 5.317 -8.432 8.103 437 HA GLU 561 HA GLU 561 5.019 -10.877 6.596 438 1HB GLU 561 1HB GLU 561 6.827 -10.603 8.301 439 2HB GLU 561 2HB GLU 561 5.585 -10.493 9.535 440 1HG GLU 561 1HG GLU 561 4.897 -12.746 9.126 441 2HG GLU 561 2HG GLU 561 5.962 -12.865 7.730 442 H PHE 562 H PHE 562 3.052 -11.451 6.197 443 HA PHE 562 HA PHE 562 1.013 -11.252 8.270 444 1HB PHE 562 1HB PHE 562 0.499 -9.483 6.744 445 2HB PHE 562 2HB PHE 562 0.909 -10.464 5.353 446 HD1 PHE 562 HD1 PHE 562 -1.768 -9.817 7.951 447 HD2 PHE 562 HD2 PHE 562 -0.645 -11.818 4.344 448 HE1 PHE 562 HE1 PHE 562 -4.054 -10.337 7.553 449 HE2 PHE 562 HE2 PHE 562 -3.013 -12.399 3.971 450 HZ PHE 562 HZ PHE 562 -4.704 -11.674 5.568 451 H GLN 563 H GLN 563 -0.523 -12.982 8.148 452 HA GLN 563 HA GLN 563 -0.034 -15.054 6.247 453 1HB GLN 563 1HB GLN 563 0.213 -16.817 8.008 454 2HB GLN 563 2HB GLN 563 1.595 -15.757 7.828 455 1HG GLN 563 1HG GLN 563 1.175 -14.679 9.807 456 2HG GLN 563 2HG GLN 563 -0.482 -15.311 9.943 457 1HE2 GLN 563 1HE2 GLN 563 2.920 -15.980 10.354 458 2HE2 GLN 563 2HE2 GLN 563 2.704 -17.489 11.133 459 H ASN 564 H ASN 564 -1.468 -17.026 6.998 460 HA ASN 564 HA ASN 564 -4.091 -16.192 6.560 461 1HB ASN 564 1HB ASN 564 -4.686 -18.489 6.609 462 2HB ASN 564 2HB ASN 564 -3.055 -18.412 5.970 463 1HD2 ASN 564 1HD2 ASN 564 -5.072 -19.705 8.347 464 2HD2 ASN 564 2HD2 ASN 564 -3.876 -20.553 9.256 465 H ASP 565 H ASP 565 -2.373 -16.957 9.498 466 HA ASP 565 HA ASP 565 -4.814 -16.946 11.091 467 1HB ASP 565 1HB ASP 565 -3.012 -18.636 11.478 468 2HB ASP 565 2HB ASP 565 -1.941 -17.336 11.971 469 H GLU 566 H GLU 566 -2.770 -14.708 9.894 470 HA GLU 566 HA GLU 566 -2.855 -12.887 12.194 471 1HB GLU 566 1HB GLU 566 -0.687 -13.288 10.991 472 2HB GLU 566 2HB GLU 566 -1.447 -12.696 9.524 473 1HG GLU 566 1HG GLU 566 -0.021 -11.004 10.467 474 2HG GLU 566 2HG GLU 566 -1.705 -10.495 10.566 475 H ILE 567 H ILE 567 -3.779 -10.692 11.758 476 HA ILE 567 HA ILE 567 -5.369 -10.664 9.332 477 HB ILE 567 HB ILE 567 -7.264 -9.626 10.364 478 1HG1 ILE 567 1HG1 ILE 567 -7.086 -9.767 13.113 479 2HG1 ILE 567 2HG1 ILE 567 -5.473 -9.200 12.644 480 1HG2 ILE 567 1HG2 ILE 567 -6.438 -12.013 11.936 481 2HG2 ILE 567 2HG2 ILE 567 -7.236 -11.978 10.367 482 3HG2 ILE 567 3HG2 ILE 567 -8.098 -11.400 11.804 483 1HD1 ILE 567 1HD1 ILE 567 -6.499 -7.363 11.429 484 2HD1 ILE 567 2HD1 ILE 567 -6.927 -7.346 13.141 485 3HD1 ILE 567 3HD1 ILE 567 -8.093 -7.912 11.943 486 H VAL 568 H VAL 568 -5.507 -8.864 8.314 487 HA VAL 568 HA VAL 568 -4.863 -6.951 7.403 488 HB VAL 568 HB VAL 568 -6.348 -6.392 9.474 489 1HG1 VAL 568 1HG1 VAL 568 -4.721 -6.314 11.189 490 2HG1 VAL 568 2HG1 VAL 568 -5.458 -4.719 11.007 491 3HG1 VAL 568 3HG1 VAL 568 -3.841 -5.022 10.369 492 1HG2 VAL 568 1HG2 VAL 568 -4.858 -4.237 8.005 493 2HG2 VAL 568 2HG2 VAL 568 -6.454 -4.080 8.784 494 3HG2 VAL 568 3HG2 VAL 568 -6.218 -5.175 7.414 495 H LYS 569 H LYS 569 -3.280 -4.950 7.599 496 HA LYS 569 HA LYS 569 -0.867 -5.491 9.061 497 1HB LYS 569 1HB LYS 569 -0.958 -5.290 6.055 498 2HB LYS 569 2HB LYS 569 0.457 -4.794 6.952 499 1HG LYS 569 1HG LYS 569 -0.687 -7.580 7.075 500 2HG LYS 569 2HG LYS 569 0.528 -7.088 5.901 501 1HD LYS 569 1HD LYS 569 1.866 -8.033 7.579 502 2HD LYS 569 2HD LYS 569 1.873 -6.344 8.025 503 1HE LYS 569 1HE LYS 569 0.228 -6.745 9.770 504 2HE LYS 569 2HE LYS 569 0.044 -8.420 9.241 505 1HZ LYS 569 1HZ LYS 569 1.421 -8.171 11.192 506 2HZ LYS 569 2HZ LYS 569 2.502 -7.190 10.354 507 3HZ LYS 569 3HZ LYS 569 2.330 -8.809 9.926 508 H THR 570 H THR 570 0.445 -3.676 9.286 509 HA THR 570 HA THR 570 -0.745 -1.159 8.460 510 HB THR 570 HB THR 570 0.013 -0.285 10.739 511 HG1 THR 570 HG1 THR 570 0.392 -1.581 12.283 512 1HG2 THR 570 1HG2 THR 570 -2.422 -2.070 10.611 513 2HG2 THR 570 2HG2 THR 570 -2.331 -0.365 10.127 514 3HG2 THR 570 3HG2 THR 570 -2.103 -0.814 11.815 515 H ILE 571 H ILE 571 0.705 0.215 7.731 516 HA ILE 571 HA ILE 571 3.515 -0.464 8.083 517 HB ILE 571 HB ILE 571 2.237 1.648 6.290 518 1HG1 ILE 571 1HG1 ILE 571 3.220 0.262 4.422 519 2HG1 ILE 571 2HG1 ILE 571 3.595 -0.979 5.606 520 1HG2 ILE 571 1HG2 ILE 571 5.131 0.844 6.536 521 2HG2 ILE 571 2HG2 ILE 571 4.413 2.332 7.141 522 3HG2 ILE 571 3HG2 ILE 571 4.470 2.027 5.401 523 1HD1 ILE 571 1HD1 ILE 571 1.244 -1.289 6.027 524 2HD1 ILE 571 2HD1 ILE 571 1.600 -1.464 4.303 525 3HD1 ILE 571 3HD1 ILE 571 0.856 0.023 4.916 526 H SER 572 H SER 572 4.520 0.445 9.722 527 HA SER 572 HA SER 572 3.427 2.892 10.833 528 1HB SER 572 1HB SER 572 5.026 2.154 12.752 529 2HB SER 572 2HB SER 572 3.523 1.262 12.506 530 HG SER 572 HG SER 572 5.978 0.318 12.494 531 H VAL 573 H VAL 573 4.358 4.649 10.057 532 HA VAL 573 HA VAL 573 7.254 4.583 9.468 533 HB VAL 573 HB VAL 573 5.203 6.493 8.330 534 1HG1 VAL 573 1HG1 VAL 573 7.428 7.483 8.424 535 2HG1 VAL 573 2HG1 VAL 573 6.976 7.160 6.751 536 3HG1 VAL 573 3HG1 VAL 573 8.103 6.088 7.581 537 1HG2 VAL 573 1HG2 VAL 573 4.803 4.296 7.444 538 2HG2 VAL 573 2HG2 VAL 573 6.509 4.104 7.041 539 3HG2 VAL 573 3HG2 VAL 573 5.529 5.296 6.187 540 H LYS 574 H LYS 574 8.536 5.991 10.431 541 HA LYS 574 HA LYS 574 7.420 7.677 12.530 542 1HB LYS 574 1HB LYS 574 9.252 6.175 13.106 543 2HB LYS 574 2HB LYS 574 10.257 6.870 11.855 544 1HG LYS 574 1HG LYS 574 10.196 9.020 13.084 545 2HG LYS 574 2HG LYS 574 9.327 8.208 14.390 546 1HD LYS 574 1HD LYS 574 11.198 6.614 14.600 547 2HD LYS 574 2HD LYS 574 12.059 7.480 13.333 548 1HE LYS 574 1HE LYS 574 12.921 8.192 15.455 549 2HE LYS 574 2HE LYS 574 11.998 9.512 14.739 550 1HZ LYS 574 1HZ LYS 574 11.510 9.293 17.074 551 2HZ LYS 574 2HZ LYS 574 11.062 7.680 16.874 552 3HZ LYS 574 3HZ LYS 574 10.131 8.893 16.182 553 H VAL 575 H VAL 575 7.189 9.760 12.286 554 HA VAL 575 HA VAL 575 8.348 11.101 9.958 555 HB VAL 575 HB VAL 575 6.346 12.146 11.997 556 1HG1 VAL 575 1HG1 VAL 575 5.861 13.867 10.312 557 2HG1 VAL 575 2HG1 VAL 575 7.150 13.220 9.295 558 3HG1 VAL 575 3HG1 VAL 575 7.535 13.933 10.863 559 1HG2 VAL 575 1HG2 VAL 575 5.403 10.258 10.781 560 2HG2 VAL 575 2HG2 VAL 575 5.845 11.003 9.247 561 3HG2 VAL 575 3HG2 VAL 575 4.631 11.762 10.276 562 H ILE 576 H ILE 576 9.989 12.661 10.207 563 HA ILE 576 HA ILE 576 11.122 12.704 12.896 564 HB ILE 576 HB ILE 576 12.452 13.532 10.291 565 1HG1 ILE 576 1HG1 ILE 576 11.831 11.156 10.194 566 2HG1 ILE 576 2HG1 ILE 576 13.569 11.318 10.261 567 1HG2 ILE 576 1HG2 ILE 576 13.644 12.857 12.980 568 2HG2 ILE 576 2HG2 ILE 576 13.494 14.473 12.288 569 3HG2 ILE 576 3HG2 ILE 576 14.550 13.282 11.528 570 1HD1 ILE 576 1HD1 ILE 576 12.896 9.506 11.591 571 2HD1 ILE 576 2HD1 ILE 576 11.697 10.483 12.444 572 3HD1 ILE 576 3HD1 ILE 576 13.424 10.788 12.692 573 H ASP 577 H ASP 577 11.702 14.611 13.863 574 HA ASP 577 HA ASP 577 10.064 16.887 13.511 575 1HB ASP 577 1HB ASP 577 10.977 16.389 15.689 576 2HB ASP 577 2HB ASP 577 12.618 16.467 15.065 577 H ASP 578 H ASP 578 10.543 18.958 12.728 578 HA ASP 578 HA ASP 578 12.168 18.800 10.427 579 1HB ASP 578 1HB ASP 578 10.172 20.715 11.294 580 2HB ASP 578 2HB ASP 578 11.511 21.426 10.396 581 H GLU 579 H GLU 579 13.863 19.518 9.818 582 HA GLU 579 HA GLU 579 15.654 20.947 11.611 583 1HB GLU 579 1HB GLU 579 17.425 19.919 10.286 584 2HB GLU 579 2HB GLU 579 16.377 18.679 10.959 585 1HG GLU 579 1HG GLU 579 16.367 19.693 8.116 586 2HG GLU 579 2HG GLU 579 17.135 18.216 8.651 587 H GLU 580 H GLU 580 13.989 20.958 8.557 588 HA GLU 580 HA GLU 580 15.145 23.529 7.938 589 1HB GLU 580 1HB GLU 580 15.066 22.857 5.449 590 2HB GLU 580 2HB GLU 580 16.370 22.300 6.477 591 1HG GLU 580 1HG GLU 580 15.613 20.654 4.861 592 2HG GLU 580 2HG GLU 580 15.507 20.054 6.502 593 H TYR 581 H TYR 581 13.965 24.411 5.915 594 HA TYR 581 HA TYR 581 11.331 25.108 6.666 595 1HB TYR 581 1HB TYR 581 11.324 26.399 4.624 596 2HB TYR 581 2HB TYR 581 12.940 26.513 5.303 597 HD1 TYR 581 HD1 TYR 581 14.775 24.912 4.281 598 HD2 TYR 581 HD2 TYR 581 11.016 25.705 2.418 599 HE1 TYR 581 HE1 TYR 581 15.683 24.178 2.128 600 HE2 TYR 581 HE2 TYR 581 11.914 24.957 0.282 601 HH TYR 581 HH TYR 581 14.034 24.717 -0.817 602 H GLU 582 H GLU 582 9.348 24.512 5.430 603 HA GLU 582 HA GLU 582 9.852 22.040 3.976 604 1HB GLU 582 1HB GLU 582 9.037 21.622 6.294 605 2HB GLU 582 2HB GLU 582 7.508 22.354 5.820 606 1HG GLU 582 1HG GLU 582 7.228 20.683 4.094 607 2HG GLU 582 2HG GLU 582 8.777 19.967 4.525 608 H LYS 583 H LYS 583 8.797 21.618 2.262 609 HA LYS 583 HA LYS 583 7.007 23.592 1.034 610 1HB LYS 583 1HB LYS 583 8.370 21.096 -0.006 611 2HB LYS 583 2HB LYS 583 7.495 22.274 -0.967 612 1HG LYS 583 1HG LYS 583 9.179 23.936 -0.588 613 2HG LYS 583 2HG LYS 583 9.992 22.911 0.594 614 1HD LYS 583 1HD LYS 583 11.162 22.867 -1.559 615 2HD LYS 583 2HD LYS 583 10.507 21.283 -1.153 616 1HE LYS 583 1HE LYS 583 10.138 21.760 -3.492 617 2HE LYS 583 2HE LYS 583 8.596 21.706 -2.652 618 1HZ LYS 583 1HZ LYS 583 10.076 24.149 -3.461 619 2HZ LYS 583 2HZ LYS 583 8.630 24.158 -2.601 620 3HZ LYS 583 3HZ LYS 583 8.674 23.536 -4.174 621 H ASN 584 H ASN 584 5.657 21.748 -0.613 622 HA ASN 584 HA ASN 584 3.973 20.317 1.257 623 1HB ASN 584 1HB ASN 584 3.001 21.316 -0.823 624 2HB ASN 584 2HB ASN 584 3.992 20.234 -1.797 625 1HD2 ASN 584 1HD2 ASN 584 1.126 20.646 -1.680 626 2HD2 ASN 584 2HD2 ASN 584 0.406 19.111 -1.351 627 H LYS 585 H LYS 585 5.121 18.760 2.262 628 HA LYS 585 HA LYS 585 6.960 17.155 0.722 629 1HB LYS 585 1HB LYS 585 7.970 18.388 2.477 630 2HB LYS 585 2HB LYS 585 6.757 17.919 3.659 631 1HG LYS 585 1HG LYS 585 8.782 16.046 2.420 632 2HG LYS 585 2HG LYS 585 9.102 16.987 3.866 633 1HD LYS 585 1HD LYS 585 6.944 14.914 3.535 634 2HD LYS 585 2HD LYS 585 8.461 14.679 4.388 635 1HE LYS 585 1HE LYS 585 6.261 16.620 5.182 636 2HE LYS 585 2HE LYS 585 6.612 15.086 5.960 637 1HZ LYS 585 1HZ LYS 585 8.231 17.554 5.979 638 2HZ LYS 585 2HZ LYS 585 8.903 16.102 6.415 639 3HZ LYS 585 3HZ LYS 585 7.601 16.746 7.309 640 H THR 586 H THR 586 6.409 15.196 0.258 641 HA THR 586 HA THR 586 4.635 13.668 1.921 642 HB THR 586 HB THR 586 3.038 14.805 0.501 643 HG1 THR 586 HG1 THR 586 2.811 12.549 0.796 644 1HG2 THR 586 1HG2 THR 586 3.087 14.678 -1.917 645 2HG2 THR 586 2HG2 THR 586 4.684 13.911 -1.857 646 3HG2 THR 586 3HG2 THR 586 4.466 15.572 -1.275 647 H PHE 587 H PHE 587 4.863 11.604 1.696 648 HA PHE 587 HA PHE 587 6.792 10.655 -0.215 649 1HB PHE 587 1HB PHE 587 7.383 8.922 1.695 650 2HB PHE 587 2HB PHE 587 8.194 10.471 1.607 651 HD1 PHE 587 HD1 PHE 587 5.433 8.649 3.390 652 HD2 PHE 587 HD2 PHE 587 8.168 11.915 3.405 653 HE1 PHE 587 HE1 PHE 587 4.902 9.119 5.768 654 HE2 PHE 587 HE2 PHE 587 7.626 12.354 5.754 655 HZ PHE 587 HZ PHE 587 5.995 10.945 6.926 656 H PHE 588 H PHE 588 6.496 8.573 -0.894 657 HA PHE 588 HA PHE 588 3.640 7.779 -0.797 658 1HB PHE 588 1HB PHE 588 5.663 6.867 -2.842 659 2HB PHE 588 2HB PHE 588 3.905 6.867 -2.885 660 HD1 PHE 588 HD1 PHE 588 6.821 8.652 -3.816 661 HD2 PHE 588 HD2 PHE 588 2.716 9.063 -2.924 662 HE1 PHE 588 HE1 PHE 588 6.784 10.798 -5.030 663 HE2 PHE 588 HE2 PHE 588 2.619 11.163 -4.137 664 HZ PHE 588 HZ PHE 588 4.671 12.069 -5.197 665 H LEU 589 H LEU 589 3.161 6.014 0.216 666 HA LEU 589 HA LEU 589 5.304 4.072 0.742 667 1HB LEU 589 1HB LEU 589 3.539 4.977 2.550 668 2HB LEU 589 2HB LEU 589 2.507 3.784 1.778 669 HG LEU 589 HG LEU 589 3.425 2.885 3.793 670 1HD1 LEU 589 1HD1 LEU 589 3.052 1.289 2.036 671 2HD1 LEU 589 2HD1 LEU 589 4.493 0.839 2.957 672 3HD1 LEU 589 3HD1 LEU 589 4.653 1.599 1.376 673 1HD2 LEU 589 1HD2 LEU 589 5.836 2.515 4.044 674 2HD2 LEU 589 2HD2 LEU 589 5.369 4.217 3.973 675 3HD2 LEU 589 3HD2 LEU 589 6.099 3.446 2.567 676 H GLU 590 H GLU 590 5.310 2.333 -0.538 677 HA GLU 590 HA GLU 590 2.818 1.625 -1.859 678 1HB GLU 590 1HB GLU 590 4.197 3.143 -3.302 679 2HB GLU 590 2HB GLU 590 5.459 1.925 -3.281 680 1HG GLU 590 1HG GLU 590 4.026 0.364 -4.416 681 2HG GLU 590 2HG GLU 590 2.683 1.507 -4.342 682 H ILE 591 H ILE 591 2.509 -0.463 -1.972 683 HA ILE 591 HA ILE 591 4.576 -2.199 -0.889 684 HB ILE 591 HB ILE 591 2.773 -3.872 -0.662 685 1HG1 ILE 591 1HG1 ILE 591 0.922 -1.645 -1.562 686 2HG1 ILE 591 2HG1 ILE 591 1.283 -3.106 -2.474 687 1HG2 ILE 591 1HG2 ILE 591 3.272 -2.527 1.252 688 2HG2 ILE 591 2HG2 ILE 591 1.526 -2.753 1.173 689 3HG2 ILE 591 3HG2 ILE 591 2.242 -1.225 0.663 690 1HD1 ILE 591 1HD1 ILE 591 -0.884 -3.247 -1.379 691 2HD1 ILE 591 2HD1 ILE 591 -0.114 -2.965 0.181 692 3HD1 ILE 591 3HD1 ILE 591 0.230 -4.448 -0.715 693 H GLY 592 H GLY 592 5.208 -3.969 -1.995 694 1HA GLY 592 1HA GLY 592 4.997 -3.676 -4.888 695 2HA GLY 592 2HA GLY 592 6.129 -4.715 -4.026 696 H GLU 593 H GLU 593 5.608 -6.465 -5.340 697 HA GLU 593 HA GLU 593 2.912 -7.424 -5.408 698 1HB GLU 593 1HB GLU 593 4.469 -7.771 -7.297 699 2HB GLU 593 2HB GLU 593 5.496 -8.746 -6.253 700 1HG GLU 593 1HG GLU 593 3.556 -10.294 -5.943 701 2HG GLU 593 2HG GLU 593 2.721 -9.332 -7.171 702 HA PRO 594 HA PRO 594 3.512 -9.625 -1.534 703 1HB PRO 594 1HB PRO 594 1.129 -10.966 -1.572 704 2HB PRO 594 2HB PRO 594 1.279 -9.280 -1.077 705 1HG PRO 594 1HG PRO 594 0.394 -10.402 -3.689 706 2HG PRO 594 2HG PRO 594 -0.259 -9.026 -2.792 707 1HD PRO 594 1HD PRO 594 1.387 -8.772 -4.918 708 2HD PRO 594 2HD PRO 594 1.347 -7.594 -3.590 709 H ARG 595 H ARG 595 3.935 -11.820 -0.951 710 HA ARG 595 HA ARG 595 3.974 -13.655 -3.217 711 1HB ARG 595 1HB ARG 595 6.234 -14.464 -2.559 712 2HB ARG 595 2HB ARG 595 6.214 -12.812 -3.140 713 1HG ARG 595 1HG ARG 595 6.381 -11.992 -0.844 714 2HG ARG 595 2HG ARG 595 6.357 -13.654 -0.249 715 1HD ARG 595 1HD ARG 595 8.639 -12.810 -0.325 716 2HD ARG 595 2HD ARG 595 8.420 -14.124 -1.479 717 HE ARG 595 HE ARG 595 8.398 -11.275 -2.231 718 1HH1 ARG 595 1HH1 ARG 595 9.626 -14.535 -2.738 719 2HH1 ARG 595 2HH1 ARG 595 10.297 -14.250 -4.270 720 1HH2 ARG 595 1HH2 ARG 595 9.397 -10.790 -4.269 721 2HH2 ARG 595 2HH2 ARG 595 10.185 -12.006 -5.178 722 H LEU 596 H LEU 596 3.389 -15.656 -2.849 723 HA LEU 596 HA LEU 596 2.342 -16.306 -0.228 724 1HB LEU 596 1HB LEU 596 1.567 -16.861 -2.816 725 2HB LEU 596 2HB LEU 596 2.320 -18.353 -2.325 726 HG LEU 596 HG LEU 596 0.110 -18.744 -1.846 727 1HD1 LEU 596 1HD1 LEU 596 1.134 -17.650 0.752 728 2HD1 LEU 596 2HD1 LEU 596 1.410 -19.265 0.113 729 3HD1 LEU 596 3HD1 LEU 596 -0.222 -18.759 0.556 730 1HD2 LEU 596 1HD2 LEU 596 -1.399 -17.089 -0.734 731 2HD2 LEU 596 2HD2 LEU 596 -0.829 -16.645 -2.337 732 3HD2 LEU 596 3HD2 LEU 596 -0.102 -15.896 -0.918 733 H VAL 597 H VAL 597 3.485 -17.513 1.158 734 HA VAL 597 HA VAL 597 5.989 -18.748 0.285 735 HB VAL 597 HB VAL 597 4.868 -18.500 3.096 736 1HG1 VAL 597 1HG1 VAL 597 7.220 -18.691 3.849 737 2HG1 VAL 597 2HG1 VAL 597 7.720 -18.914 2.170 738 3HG1 VAL 597 3HG1 VAL 597 6.697 -20.118 2.951 739 1HG2 VAL 597 1HG2 VAL 597 6.286 -16.502 3.376 740 2HG2 VAL 597 2HG2 VAL 597 5.044 -16.281 2.145 741 3HG2 VAL 597 3HG2 VAL 597 6.715 -16.589 1.666 742 H GLU 598 H GLU 598 3.219 -19.801 -0.245 743 HA GLU 598 HA GLU 598 2.707 -22.148 1.192 744 1HB GLU 598 1HB GLU 598 1.422 -22.955 -0.806 745 2HB GLU 598 2HB GLU 598 0.954 -21.360 -0.243 746 1HG GLU 598 1HG GLU 598 2.154 -20.324 -2.042 747 2HG GLU 598 2HG GLU 598 2.820 -21.876 -2.539 748 H MET 599 H MET 599 4.668 -21.686 -1.609 749 HA MET 599 HA MET 599 5.673 -24.407 -1.204 750 1HB MET 599 1HB MET 599 5.035 -23.734 -3.579 751 2HB MET 599 2HB MET 599 6.394 -22.608 -3.529 752 1HG MET 599 1HG MET 599 7.784 -24.656 -2.828 753 2HG MET 599 2HG MET 599 6.431 -25.600 -3.436 754 1HE MET 599 1HE MET 599 9.412 -23.331 -4.151 755 2HE MET 599 2HE MET 599 8.141 -22.242 -4.705 756 3HE MET 599 3HE MET 599 9.275 -22.942 -5.864 757 H SER 600 H SER 600 7.021 -24.142 0.438 758 HA SER 600 HA SER 600 8.789 -21.922 0.619 759 1HB SER 600 1HB SER 600 8.866 -24.565 2.064 760 2HB SER 600 2HB SER 600 9.553 -23.022 2.596 761 HG SER 600 HG SER 600 7.069 -22.472 2.170 762 H GLU 601 H GLU 601 11.106 -22.075 0.384 763 HA GLU 601 HA GLU 601 11.928 -23.611 -1.854 764 1HB GLU 601 1HB GLU 601 12.755 -21.318 -1.339 765 2HB GLU 601 2HB GLU 601 13.580 -21.961 0.068 766 1HG GLU 601 1HG GLU 601 14.998 -23.310 -1.353 767 2HG GLU 601 2HG GLU 601 14.148 -22.729 -2.785 768 H LYS 602 H LYS 602 11.843 -25.655 -1.470 769 HA LYS 602 HA LYS 602 13.745 -27.170 -0.105 770 1HB LYS 602 1HB LYS 602 12.306 -28.169 1.686 771 2HB LYS 602 2HB LYS 602 12.605 -26.461 1.975 772 1HG LYS 602 1HG LYS 602 10.371 -25.962 1.011 773 2HG LYS 602 2HG LYS 602 10.088 -27.688 0.861 774 1HD LYS 602 1HD LYS 602 10.616 -26.230 3.450 775 2HD LYS 602 2HD LYS 602 9.027 -26.683 2.846 776 1HE LYS 602 1HE LYS 602 9.765 -29.065 2.894 777 2HE LYS 602 2HE LYS 602 11.261 -28.537 3.656 778 1HZ LYS 602 1HZ LYS 602 9.661 -29.256 5.318 779 2HZ LYS 602 2HZ LYS 602 8.528 -28.214 4.723 780 3HZ LYS 602 3HZ LYS 602 9.902 -27.596 5.479 781 H LYS 603 H LYS 603 10.539 -26.749 -1.360 782 HA LYS 603 HA LYS 603 10.669 -29.361 -2.658 783 1HB LYS 603 1HB LYS 603 8.149 -29.138 -2.813 784 2HB LYS 603 2HB LYS 603 8.788 -29.422 -1.204 785 1HG LYS 603 1HG LYS 603 8.427 -27.160 -0.565 786 2HG LYS 603 2HG LYS 603 8.110 -26.682 -2.224 787 1HD LYS 603 1HD LYS 603 6.056 -26.753 -0.869 788 2HD LYS 603 2HD LYS 603 5.983 -27.887 -2.198 789 1HE LYS 603 1HE LYS 603 6.740 -28.692 0.618 790 2HE LYS 603 2HE LYS 603 5.075 -28.649 0.067 791 1HZ LYS 603 1HZ LYS 603 5.928 -30.869 -0.103 792 2HZ LYS 603 2HZ LYS 603 7.239 -30.398 -1.022 793 3HZ LYS 603 3HZ LYS 603 5.687 -30.286 -1.661 794 H GLY 604 H GLY 604 9.056 -29.188 -4.615 795 1HA GLY 604 1HA GLY 604 8.945 -26.684 -5.966 796 2HA GLY 604 2HA GLY 604 10.183 -27.752 -6.632 797 H GLY 605 H GLY 605 9.005 -30.199 -6.258 798 1HA GLY 605 1HA GLY 605 7.090 -31.465 -6.836 799 2HA GLY 605 2HA GLY 605 6.431 -30.045 -7.638 800 H PHE 606 H PHE 606 6.524 -30.053 -9.751 801 HA PHE 606 HA PHE 606 8.640 -31.624 -11.036 802 1HB PHE 606 1HB PHE 606 6.337 -32.535 -11.463 803 2HB PHE 606 2HB PHE 606 5.902 -30.972 -12.154 804 HD1 PHE 606 HD1 PHE 606 8.182 -33.865 -12.582 805 HD2 PHE 606 HD2 PHE 606 6.323 -30.501 -14.415 806 HE1 PHE 606 HE1 PHE 606 8.981 -34.622 -14.783 807 HE2 PHE 606 HE2 PHE 606 7.124 -31.254 -16.618 808 HZ PHE 606 HZ PHE 606 8.453 -33.317 -16.801 809 H THR 607 H THR 607 10.104 -30.072 -11.305 810 HA THR 607 HA THR 607 9.261 -27.752 -12.843 811 HB THR 607 HB THR 607 11.082 -26.526 -11.534 812 HG1 THR 607 HG1 THR 607 12.108 -27.683 -10.177 813 1HG2 THR 607 1HG2 THR 607 8.622 -27.447 -10.023 814 2HG2 THR 607 2HG2 THR 607 8.673 -26.105 -11.163 815 3HG2 THR 607 3HG2 THR 607 9.577 -26.012 -9.651 816 H ILE 608 H ILE 608 10.482 -27.486 -14.677 817 HA ILE 608 HA ILE 608 12.706 -29.124 -15.275 818 HB ILE 608 HB ILE 608 11.842 -26.495 -16.547 819 1HG1 ILE 608 1HG1 ILE 608 11.102 -28.032 -18.467 820 2HG1 ILE 608 2HG1 ILE 608 11.290 -29.351 -17.312 821 1HG2 ILE 608 1HG2 ILE 608 13.234 -27.072 -18.478 822 2HG2 ILE 608 2HG2 ILE 608 13.835 -28.484 -17.615 823 3HG2 ILE 608 3HG2 ILE 608 14.187 -26.868 -17.007 824 1HD1 ILE 608 1HD1 ILE 608 8.977 -28.654 -17.568 825 2HD1 ILE 608 2HD1 ILE 608 9.402 -27.030 -17.025 826 3HD1 ILE 608 3HD1 ILE 608 9.560 -28.402 -15.926 827 H THR 609 H THR 609 12.239 -26.099 -14.288 828 HA THR 609 HA THR 609 14.800 -25.866 -12.898 829 HB THR 609 HB THR 609 14.765 -23.381 -13.561 830 HG1 THR 609 HG1 THR 609 13.707 -23.417 -15.875 831 1HG2 THR 609 1HG2 THR 609 15.916 -23.744 -15.708 832 2HG2 THR 609 2HG2 THR 609 15.288 -25.389 -15.764 833 3HG2 THR 609 3HG2 THR 609 16.431 -24.924 -14.503 834 H GLU 610 H GLU 610 14.529 -24.460 -10.995 835 HA GLU 610 HA GLU 610 11.690 -24.327 -10.278 836 1HB GLU 610 1HB GLU 610 14.120 -24.157 -8.478 837 2HB GLU 610 2HB GLU 610 12.468 -23.977 -7.929 838 1HG GLU 610 1HG GLU 610 13.122 -26.162 -7.369 839 2HG GLU 610 2HG GLU 610 12.066 -26.319 -8.762 840 H GLU 611 H GLU 611 13.583 -22.383 -11.819 841 HA GLU 611 HA GLU 611 13.425 -20.126 -10.122 842 1HB GLU 611 1HB GLU 611 14.370 -18.784 -11.936 843 2HB GLU 611 2HB GLU 611 15.360 -20.165 -11.496 844 1HG GLU 611 1HG GLU 611 14.739 -21.321 -13.487 845 2HG GLU 611 2HG GLU 611 13.497 -20.122 -13.858 846 H TYR 612 H TYR 612 11.200 -20.247 -9.802 847 HA TYR 612 HA TYR 612 9.845 -18.615 -11.786 848 1HB TYR 612 1HB TYR 612 8.830 -20.020 -9.316 849 2HB TYR 612 2HB TYR 612 7.829 -18.891 -10.237 850 HD1 TYR 612 HD1 TYR 612 9.418 -22.221 -10.254 851 HD2 TYR 612 HD2 TYR 612 6.983 -19.487 -12.424 852 HE1 TYR 612 HE1 TYR 612 8.819 -24.014 -11.830 853 HE2 TYR 612 HE2 TYR 612 6.371 -21.269 -13.999 854 HH TYR 612 HH TYR 612 7.328 -23.364 -14.797 855 H ASP 613 H ASP 613 11.316 -17.136 -11.515 856 HA ASP 613 HA ASP 613 11.894 -15.984 -8.946 857 1HB ASP 613 1HB ASP 613 13.612 -16.529 -10.725 858 2HB ASP 613 2HB ASP 613 12.948 -15.215 -11.673 859 H ASP 614 H ASP 614 9.460 -15.479 -9.079 860 HA ASP 614 HA ASP 614 8.946 -13.026 -10.472 861 1HB ASP 614 1HB ASP 614 7.228 -14.593 -8.556 862 2HB ASP 614 2HB ASP 614 6.752 -13.010 -9.171 863 H LYS 615 H LYS 615 10.604 -11.997 -9.726 864 HA LYS 615 HA LYS 615 10.168 -10.659 -7.173 865 1HB LYS 615 1HB LYS 615 12.771 -11.287 -8.605 866 2HB LYS 615 2HB LYS 615 12.659 -10.307 -7.146 867 1HG LYS 615 1HG LYS 615 11.963 -12.150 -5.836 868 2HG LYS 615 2HG LYS 615 11.637 -13.131 -7.264 869 1HD LYS 615 1HD LYS 615 14.049 -13.122 -7.766 870 2HD LYS 615 2HD LYS 615 14.332 -12.219 -6.274 871 1HE LYS 615 1HE LYS 615 13.587 -14.028 -4.934 872 2HE LYS 615 2HE LYS 615 12.917 -14.878 -6.327 873 1HZ LYS 615 1HZ LYS 615 15.811 -14.376 -5.860 874 2HZ LYS 615 2HZ LYS 615 15.131 -15.191 -7.168 875 3HZ LYS 615 3HZ LYS 615 15.008 -15.848 -5.624 876 H GLN 616 H GLN 616 9.252 -10.423 -9.882 877 HA GLN 616 HA GLN 616 10.424 -8.043 -11.095 878 1HB GLN 616 1HB GLN 616 8.250 -9.956 -11.956 879 2HB GLN 616 2HB GLN 616 8.946 -8.682 -12.939 880 1HG GLN 616 1HG GLN 616 11.032 -9.815 -13.054 881 2HG GLN 616 2HG GLN 616 10.513 -10.992 -11.847 882 1HE2 GLN 616 1HE2 GLN 616 10.140 -9.908 -15.102 883 2HE2 GLN 616 2HE2 GLN 616 9.383 -11.351 -15.698 884 HA PRO 617 HA PRO 617 6.622 -5.802 -9.916 885 1HB PRO 617 1HB PRO 617 6.410 -4.611 -12.572 886 2HB PRO 617 2HB PRO 617 6.831 -3.811 -11.056 887 1HG PRO 617 1HG PRO 617 8.612 -4.149 -13.070 888 2HG PRO 617 2HG PRO 617 9.081 -4.112 -11.363 889 1HD PRO 617 1HD PRO 617 8.721 -6.469 -13.171 890 2HD PRO 617 2HD PRO 617 9.965 -6.165 -11.938 891 H LEU 618 H LEU 618 4.384 -5.367 -10.990 892 HA LEU 618 HA LEU 618 3.373 -7.928 -11.602 893 1HB LEU 618 1HB LEU 618 2.058 -5.227 -11.565 894 2HB LEU 618 2HB LEU 618 1.193 -6.679 -12.007 895 HG LEU 618 HG LEU 618 0.663 -6.170 -9.775 896 1HD1 LEU 618 1HD1 LEU 618 2.611 -8.447 -9.740 897 2HD1 LEU 618 2HD1 LEU 618 0.938 -8.512 -10.271 898 3HD1 LEU 618 3HD1 LEU 618 1.312 -8.164 -8.580 899 1HD2 LEU 618 1HD2 LEU 618 2.330 -6.010 -7.951 900 2HD2 LEU 618 2HD2 LEU 618 2.509 -4.727 -9.145 901 3HD2 LEU 618 3HD2 LEU 618 3.620 -6.096 -9.153 902 H THR 619 H THR 619 3.423 -8.929 -13.417 903 HA THR 619 HA THR 619 3.451 -7.440 -15.927 904 HB THR 619 HB THR 619 4.333 -9.639 -16.810 905 HG1 THR 619 HG1 THR 619 4.578 -11.278 -15.512 906 1HG2 THR 619 1HG2 THR 619 5.864 -7.832 -16.216 907 2HG2 THR 619 2HG2 THR 619 6.568 -9.403 -15.795 908 3HG2 THR 619 3HG2 THR 619 5.865 -8.381 -14.541 909 H SER 620 H SER 620 1.093 -7.973 -14.300 910 HA SER 620 HA SER 620 -0.244 -10.304 -14.906 911 1HB SER 620 1HB SER 620 -1.520 -7.709 -14.167 912 2HB SER 620 2HB SER 620 -1.990 -9.358 -13.730 913 HG SER 620 HG SER 620 -0.373 -9.514 -12.312 914 H LYS 621 H LYS 621 -0.262 -7.174 -16.512 915 HA LYS 621 HA LYS 621 -2.215 -8.239 -18.427 916 1HB LYS 621 1HB LYS 621 -2.621 -5.926 -19.131 917 2HB LYS 621 2HB LYS 621 -2.787 -6.115 -17.384 918 1HG LYS 621 1HG LYS 621 -0.560 -5.203 -17.074 919 2HG LYS 621 2HG LYS 621 -0.416 -4.964 -18.813 920 1HD LYS 621 1HD LYS 621 -2.271 -3.378 -18.765 921 2HD LYS 621 2HD LYS 621 -2.491 -3.665 -17.033 922 1HE LYS 621 1HE LYS 621 -0.222 -2.813 -16.616 923 2HE LYS 621 2HE LYS 621 -0.019 -2.514 -18.336 924 1HZ LYS 621 1HZ LYS 621 -1.856 -0.931 -18.211 925 2HZ LYS 621 2HZ LYS 621 -0.587 -0.505 -17.207 926 3HZ LYS 621 3HZ LYS 621 -1.985 -1.178 -16.541 927 H GLU 622 H GLU 622 0.891 -8.336 -18.069 928 HA GLU 622 HA GLU 622 1.751 -7.594 -20.773 929 1HB GLU 622 1HB GLU 622 3.151 -7.075 -18.750 930 2HB GLU 622 2HB GLU 622 3.301 -8.800 -18.471 931 1HG GLU 622 1HG GLU 622 5.299 -8.039 -19.523 932 2HG GLU 622 2HG GLU 622 4.394 -8.996 -20.693 933 H GLU 623 H GLU 623 1.736 -10.330 -18.542 934 HA GLU 623 HA GLU 623 1.978 -12.252 -20.733 935 1HB GLU 623 1HB GLU 623 2.046 -12.605 -17.722 936 2HB GLU 623 2HB GLU 623 2.360 -13.857 -18.911 937 1HG GLU 623 1HG GLU 623 4.378 -12.722 -19.595 938 2HG GLU 623 2HG GLU 623 4.017 -11.382 -18.504 939 H GLU 624 H GLU 624 0.084 -13.219 -21.402 940 HA GLU 624 HA GLU 624 -2.301 -12.427 -20.007 941 1HB GLU 624 1HB GLU 624 -2.041 -14.165 -22.450 942 2HB GLU 624 2HB GLU 624 -3.549 -13.541 -21.799 943 1HG GLU 624 1HG GLU 624 -2.547 -11.231 -22.117 944 2HG GLU 624 2HG GLU 624 -1.311 -12.029 -23.091 945 H GLU 625 H GLU 625 -0.246 -15.036 -19.839 946 HA GLU 625 HA GLU 625 -2.221 -16.767 -18.645 947 1HB GLU 625 1HB GLU 625 -0.268 -18.308 -18.173 948 2HB GLU 625 2HB GLU 625 -0.606 -18.007 -19.865 949 1HG GLU 625 1HG GLU 625 1.515 -16.477 -18.395 950 2HG GLU 625 2HG GLU 625 1.833 -18.065 -19.095 951 H ARG 626 H ARG 626 -0.348 -14.221 -17.678 952 HA ARG 626 HA ARG 626 0.759 -14.905 -15.247 953 1HB ARG 626 1HB ARG 626 0.450 -12.528 -16.666 954 2HB ARG 626 2HB ARG 626 -0.360 -12.251 -15.146 955 1HG ARG 626 1HG ARG 626 2.472 -13.267 -15.321 956 2HG ARG 626 2HG ARG 626 2.038 -11.571 -15.147 957 1HD ARG 626 1HD ARG 626 0.979 -12.024 -13.017 958 2HD ARG 626 2HD ARG 626 1.254 -13.752 -13.216 959 HE ARG 626 HE ARG 626 3.702 -13.077 -13.243 960 1HH1 ARG 626 1HH1 ARG 626 1.261 -11.206 -11.282 961 2HH1 ARG 626 2HH1 ARG 626 2.493 -10.835 -10.141 962 1HH2 ARG 626 1HH2 ARG 626 5.198 -12.503 -11.412 963 2HH2 ARG 626 2HH2 ARG 626 4.516 -11.479 -10.204 964 H ARG 627 H ARG 627 -2.612 -13.863 -15.814 965 HA ARG 627 HA ARG 627 -3.050 -13.620 -13.013 966 1HB ARG 627 1HB ARG 627 -5.057 -13.617 -15.264 967 2HB ARG 627 2HB ARG 627 -5.460 -13.357 -13.575 968 1HG ARG 627 1HG ARG 627 -4.028 -11.420 -13.503 969 2HG ARG 627 2HG ARG 627 -3.565 -11.680 -15.184 970 1HD ARG 627 1HD ARG 627 -5.830 -11.383 -15.892 971 2HD ARG 627 2HD ARG 627 -6.365 -11.212 -14.221 972 HE ARG 627 HE ARG 627 -4.720 -9.262 -14.225 973 1HH1 ARG 627 1HH1 ARG 627 -6.819 -10.198 -16.936 974 2HH1 ARG 627 2HH1 ARG 627 -6.896 -8.649 -17.609 975 1HH2 ARG 627 1HH2 ARG 627 -4.826 -7.085 -15.178 976 2HH2 ARG 627 2HH2 ARG 627 -5.735 -6.831 -16.585 977 H ILE 628 H ILE 628 -3.344 -16.202 -15.239 978 HA ILE 628 HA ILE 628 -4.813 -17.960 -13.548 979 HB ILE 628 HB ILE 628 -2.842 -18.483 -15.797 980 1HG1 ILE 628 1HG1 ILE 628 -5.828 -18.771 -15.770 981 2HG1 ILE 628 2HG1 ILE 628 -5.035 -17.287 -16.288 982 1HG2 ILE 628 1HG2 ILE 628 -4.683 -20.439 -14.412 983 2HG2 ILE 628 2HG2 ILE 628 -2.923 -20.402 -14.306 984 3HG2 ILE 628 3HG2 ILE 628 -3.707 -20.778 -15.846 985 1HD1 ILE 628 1HD1 ILE 628 -4.752 -20.015 -17.542 986 2HD1 ILE 628 2HD1 ILE 628 -3.905 -18.553 -18.055 987 3HD1 ILE 628 3HD1 ILE 628 -5.661 -18.646 -18.195 988 H ALA 629 H ALA 629 -1.439 -17.155 -13.978 989 HA ALA 629 HA ALA 629 -0.506 -19.013 -12.054 990 1HB ALA 629 1HB ALA 629 0.988 -18.097 -13.761 991 2HB ALA 629 2HB ALA 629 1.613 -17.737 -12.150 992 3HB ALA 629 3HB ALA 629 0.794 -16.483 -13.082 993 H GLU 630 H GLU 630 -1.724 -15.752 -11.994 994 HA GLU 630 HA GLU 630 -1.104 -15.202 -9.247 995 1HB GLU 630 1HB GLU 630 -3.067 -13.782 -11.057 996 2HB GLU 630 2HB GLU 630 -2.498 -13.208 -9.506 997 1HG GLU 630 1HG GLU 630 -0.211 -13.078 -10.381 998 2HG GLU 630 2HG GLU 630 -0.795 -13.629 -11.945 999 H MET 631 H MET 631 -3.055 -17.458 -10.377 1000 HA MET 631 HA MET 631 -5.174 -17.101 -8.512 1001 1HB MET 631 1HB MET 631 -5.624 -18.230 -10.599 1002 2HB MET 631 2HB MET 631 -4.262 -19.304 -10.362 1003 1HG MET 631 1HG MET 631 -5.328 -20.399 -8.626 1004 2HG MET 631 2HG MET 631 -6.677 -19.245 -8.620 1005 1HE MET 631 1HE MET 631 -5.856 -22.168 -12.148 1006 2HE MET 631 2HE MET 631 -4.816 -22.061 -10.724 1007 3HE MET 631 3HE MET 631 -4.905 -20.715 -11.866 1008 H GLY 632 H GLY 632 -2.026 -18.542 -8.824 1009 1HA GLY 632 1HA GLY 632 -2.205 -19.705 -6.148 1010 2HA GLY 632 2HA GLY 632 -0.936 -20.007 -7.326 1011 H ARG 633 H ARG 633 -1.037 -16.961 -7.789 1012 HA ARG 633 HA ARG 633 0.810 -16.305 -5.591 1013 1HB ARG 633 1HB ARG 633 0.651 -15.022 -8.337 1014 2HB ARG 633 2HB ARG 633 1.863 -14.738 -7.106 1015 1HG ARG 633 1HG ARG 633 2.738 -16.959 -7.373 1016 2HG ARG 633 2HG ARG 633 1.441 -17.366 -8.498 1017 1HD ARG 633 1HD ARG 633 2.262 -15.510 -9.967 1018 2HD ARG 633 2HD ARG 633 3.656 -15.362 -8.898 1019 HE ARG 633 HE ARG 633 3.673 -17.956 -9.506 1020 1HH1 ARG 633 1HH1 ARG 633 3.619 -15.024 -11.488 1021 2HH1 ARG 633 2HH1 ARG 633 4.320 -15.745 -12.865 1022 1HH2 ARG 633 1HH2 ARG 633 4.600 -18.980 -11.442 1023 2HH2 ARG 633 2HH2 ARG 633 4.828 -18.072 -12.853 1024 HA PRO 634 HA PRO 634 -2.311 -13.277 -4.620 1025 1HB PRO 634 1HB PRO 634 -1.031 -11.940 -2.694 1026 2HB PRO 634 2HB PRO 634 -1.641 -13.568 -2.435 1027 1HG PRO 634 1HG PRO 634 1.161 -12.701 -2.995 1028 2HG PRO 634 2HG PRO 634 0.571 -13.962 -1.904 1029 1HD PRO 634 1HD PRO 634 1.586 -14.424 -4.422 1030 2HD PRO 634 2HD PRO 634 0.474 -15.508 -3.561 1031 H ILE 635 H ILE 635 -2.647 -10.957 -4.766 1032 HA ILE 635 HA ILE 635 -0.648 -9.647 -6.474 1033 HB ILE 635 HB ILE 635 -2.487 -8.772 -7.830 1034 1HG1 ILE 635 1HG1 ILE 635 -4.290 -10.791 -6.490 1035 2HG1 ILE 635 2HG1 ILE 635 -4.196 -9.116 -5.964 1036 1HG2 ILE 635 1HG2 ILE 635 -1.295 -10.752 -8.605 1037 2HG2 ILE 635 2HG2 ILE 635 -2.997 -10.845 -9.059 1038 3HG2 ILE 635 3HG2 ILE 635 -2.394 -11.784 -7.691 1039 1HD1 ILE 635 1HD1 ILE 635 -4.928 -8.369 -8.091 1040 2HD1 ILE 635 2HD1 ILE 635 -6.083 -9.533 -7.436 1041 3HD1 ILE 635 3HD1 ILE 635 -4.961 -10.017 -8.724 1042 H LEU 636 H LEU 636 -1.436 -7.352 -6.828 1043 HA LEU 636 HA LEU 636 -2.391 -6.262 -4.334 1044 1HB LEU 636 1HB LEU 636 -1.567 -4.108 -5.026 1045 2HB LEU 636 2HB LEU 636 -0.299 -5.253 -5.352 1046 HG LEU 636 HG LEU 636 -0.177 -3.809 -7.130 1047 1HD1 LEU 636 1HD1 LEU 636 -1.968 -5.920 -8.175 1048 2HD1 LEU 636 2HD1 LEU 636 -0.218 -6.004 -7.978 1049 3HD1 LEU 636 3HD1 LEU 636 -0.929 -4.872 -9.152 1050 1HD2 LEU 636 1HD2 LEU 636 -2.122 -2.453 -6.708 1051 2HD2 LEU 636 2HD2 LEU 636 -3.178 -3.719 -7.332 1052 3HD2 LEU 636 3HD2 LEU 636 -2.060 -2.890 -8.416 1053 H GLY 637 H GLY 637 -4.093 -4.772 -4.381 1054 1HA GLY 637 1HA GLY 637 -6.195 -5.806 -6.057 1055 2HA GLY 637 2HA GLY 637 -6.412 -4.663 -4.746 1056 H GLU 638 H GLU 638 -7.243 -2.875 -5.460 1057 HA GLU 638 HA GLU 638 -6.969 -2.202 -8.249 1058 1HB GLU 638 1HB GLU 638 -9.144 -2.158 -7.119 1059 2HB GLU 638 2HB GLU 638 -8.565 -0.871 -6.095 1060 1HG GLU 638 1HG GLU 638 -8.464 0.676 -7.836 1061 2HG GLU 638 2HG GLU 638 -8.571 -0.574 -9.076 1062 H HIS 639 H HIS 639 -6.328 -0.624 -5.178 1063 HA HIS 639 HA HIS 639 -4.408 1.014 -6.621 1064 1HB HIS 639 1HB HIS 639 -5.081 3.064 -5.343 1065 2HB HIS 639 2HB HIS 639 -6.264 2.503 -6.509 1066 HD1 HIS 639 HD1 HIS 639 -5.908 3.448 -2.974 1067 HD2 HIS 639 HD2 HIS 639 -8.526 1.184 -5.267 1068 HE1 HIS 639 HE1 HIS 639 -8.004 3.222 -1.617 1069 H THR 640 H THR 640 -2.541 0.595 -5.885 1070 HA THR 640 HA THR 640 -2.255 0.570 -3.002 1071 HB THR 640 HB THR 640 -0.182 -0.867 -3.366 1072 HG1 THR 640 HG1 THR 640 -1.095 -0.663 -5.942 1073 1HG2 THR 640 1HG2 THR 640 -1.463 -2.929 -3.424 1074 2HG2 THR 640 2HG2 THR 640 -2.876 -2.051 -4.027 1075 3HG2 THR 640 3HG2 THR 640 -2.241 -1.718 -2.411 1076 H LYS 641 H LYS 641 -1.793 2.671 -2.795 1077 HA LYS 641 HA LYS 641 0.895 3.461 -3.123 1078 1HB LYS 641 1HB LYS 641 -0.486 3.895 -5.410 1079 2HB LYS 641 2HB LYS 641 -1.018 5.307 -4.513 1080 1HG LYS 641 1HG LYS 641 1.859 4.602 -5.154 1081 2HG LYS 641 2HG LYS 641 0.838 5.795 -5.986 1082 1HD LYS 641 1HD LYS 641 1.499 5.951 -3.072 1083 2HD LYS 641 2HD LYS 641 2.567 6.591 -4.322 1084 1HE LYS 641 1HE LYS 641 -0.308 7.439 -3.881 1085 2HE LYS 641 2HE LYS 641 1.122 8.269 -3.322 1086 1HZ LYS 641 1HZ LYS 641 0.377 9.315 -5.303 1087 2HZ LYS 641 2HZ LYS 641 0.287 7.861 -6.136 1088 3HZ LYS 641 3HZ LYS 641 1.796 8.478 -5.737 1089 H LEU 642 H LEU 642 1.110 4.640 -1.323 1090 HA LEU 642 HA LEU 642 -1.277 5.964 -0.188 1091 1HB LEU 642 1HB LEU 642 -0.337 4.123 1.139 1092 2HB LEU 642 2HB LEU 642 1.218 4.943 1.070 1093 HG LEU 642 HG LEU 642 0.172 6.869 2.214 1094 1HD1 LEU 642 1HD1 LEU 642 -1.880 6.409 3.497 1095 2HD1 LEU 642 2HD1 LEU 642 -2.101 4.939 2.539 1096 3HD1 LEU 642 3HD1 LEU 642 -2.117 6.522 1.759 1097 1HD2 LEU 642 1HD2 LEU 642 0.112 4.292 3.746 1098 2HD2 LEU 642 2HD2 LEU 642 0.403 5.949 4.354 1099 3HD2 LEU 642 3HD2 LEU 642 1.575 5.179 3.303 1100 H GLU 643 H GLU 643 -1.067 7.979 -0.861 1101 HA GLU 643 HA GLU 643 1.512 9.291 -0.973 1102 1HB GLU 643 1HB GLU 643 -0.442 9.459 -2.650 1103 2HB GLU 643 2HB GLU 643 -1.216 10.415 -1.407 1104 1HG GLU 643 1HG GLU 643 0.324 12.147 -1.620 1105 2HG GLU 643 2HG GLU 643 1.443 11.141 -2.544 1106 H VAL 644 H VAL 644 2.188 9.686 1.104 1107 HA VAL 644 HA VAL 644 0.248 10.554 3.094 1108 HB VAL 644 HB VAL 644 3.218 10.246 3.434 1109 1HG1 VAL 644 1HG1 VAL 644 0.992 10.079 5.441 1110 2HG1 VAL 644 2HG1 VAL 644 2.028 11.468 5.149 1111 3HG1 VAL 644 3HG1 VAL 644 2.726 9.979 5.770 1112 1HG2 VAL 644 1HG2 VAL 644 2.334 8.154 2.525 1113 2HG2 VAL 644 2HG2 VAL 644 1.150 8.094 3.835 1114 3HG2 VAL 644 3HG2 VAL 644 2.872 7.970 4.190 1115 H ILE 645 H ILE 645 -0.239 12.651 2.742 1116 HA ILE 645 HA ILE 645 2.011 14.452 2.349 1117 HB ILE 645 HB ILE 645 -0.954 15.166 2.472 1118 1HG1 ILE 645 1HG1 ILE 645 -0.524 15.765 -0.041 1119 2HG1 ILE 645 2HG1 ILE 645 0.888 14.746 0.121 1120 1HG2 ILE 645 1HG2 ILE 645 -0.267 17.384 1.643 1121 2HG2 ILE 645 2HG2 ILE 645 1.415 16.875 1.696 1122 3HG2 ILE 645 3HG2 ILE 645 0.489 16.996 3.193 1123 1HD1 ILE 645 1HD1 ILE 645 -0.511 12.837 0.659 1124 2HD1 ILE 645 2HD1 ILE 645 -1.023 13.546 -0.871 1125 3HD1 ILE 645 3HD1 ILE 645 -1.939 13.854 0.590 1126 H ILE 646 H ILE 646 2.828 15.491 4.014 1127 HA ILE 646 HA ILE 646 1.634 14.835 6.579 1128 HB ILE 646 HB ILE 646 4.444 15.866 6.060 1129 1HG1 ILE 646 1HG1 ILE 646 5.118 13.433 6.665 1130 2HG1 ILE 646 2HG1 ILE 646 3.447 13.035 6.319 1131 1HG2 ILE 646 1HG2 ILE 646 4.926 15.085 8.308 1132 2HG2 ILE 646 2HG2 ILE 646 3.263 14.543 8.483 1133 3HG2 ILE 646 3HG2 ILE 646 3.612 16.269 8.314 1134 1HD1 ILE 646 1HD1 ILE 646 3.670 13.663 4.062 1135 2HD1 ILE 646 2HD1 ILE 646 5.075 12.645 4.439 1136 3HD1 ILE 646 3HD1 ILE 646 5.222 14.408 4.346 1137 H GLU 647 H GLU 647 0.829 16.339 7.798 1138 HA GLU 647 HA GLU 647 0.881 19.011 6.768 1139 1HB GLU 647 1HB GLU 647 -0.816 17.744 8.894 1140 2HB GLU 647 2HB GLU 647 -0.972 19.405 8.336 1141 1HG GLU 647 1HG GLU 647 -1.265 18.366 5.988 1142 2HG GLU 647 2HG GLU 647 -1.513 16.870 6.857 1143 H GLU 648 H GLU 648 2.192 20.358 7.447 1144 HA GLU 648 HA GLU 648 3.994 20.077 9.570 1145 1HB GLU 648 1HB GLU 648 4.165 21.528 7.489 1146 2HB GLU 648 2HB GLU 648 3.042 22.632 8.260 1147 1HG GLU 648 1HG GLU 648 5.209 23.520 8.557 1148 2HG GLU 648 2HG GLU 648 4.703 22.870 10.114 1149 H SER 649 H SER 649 3.898 20.913 11.668 1150 HA SER 649 HA SER 649 1.460 20.924 12.990 1151 1HB SER 649 1HB SER 649 3.827 20.542 13.930 1152 2HB SER 649 2HB SER 649 3.955 22.296 14.022 1153 HG SER 649 HG SER 649 2.532 20.491 15.515 1154 H TYR 650 H TYR 650 -0.087 22.351 12.881 1155 HA TYR 650 HA TYR 650 0.222 25.150 13.160 1156 1HB TYR 650 1HB TYR 650 0.968 25.259 10.903 1157 2HB TYR 650 2HB TYR 650 -0.156 24.019 10.376 1158 HD1 TYR 650 HD1 TYR 650 -2.219 24.601 9.479 1159 HD2 TYR 650 HD2 TYR 650 0.029 27.566 11.527 1160 HE1 TYR 650 HE1 TYR 650 -3.821 26.266 8.762 1161 HE2 TYR 650 HE2 TYR 650 -1.581 29.283 10.803 1162 HH TYR 650 HH TYR 650 -3.253 29.541 8.877 1163 H GLU 651 H GLU 651 -1.873 22.875 11.419 1164 HA GLU 651 HA GLU 651 -4.041 22.898 13.171 1165 1HB GLU 651 1HB GLU 651 -4.108 25.297 12.287 1166 2HB GLU 651 2HB GLU 651 -4.280 24.636 10.679 1167 1HG GLU 651 1HG GLU 651 -6.426 23.673 11.319 1168 2HG GLU 651 2HG GLU 651 -6.247 24.355 12.939 1169 H PHE 652 H PHE 652 -5.930 21.914 11.650 1170 HA PHE 652 HA PHE 652 -4.549 19.972 9.943 1171 1HB PHE 652 1HB PHE 652 -6.114 19.375 11.971 1172 2HB PHE 652 2HB PHE 652 -7.395 19.780 10.829 1173 HD1 PHE 652 HD1 PHE 652 -8.355 18.021 9.689 1174 HD2 PHE 652 HD2 PHE 652 -4.303 17.703 10.954 1175 HE1 PHE 652 HE1 PHE 652 -8.271 15.705 8.853 1176 HE2 PHE 652 HE2 PHE 652 -4.213 15.393 10.112 1177 HZ PHE 652 HZ PHE 652 -6.202 14.392 9.062 1178 H LYS 653 H LYS 653 -4.588 20.456 7.932 1179 HA LYS 653 HA LYS 653 -6.871 21.836 6.685 1180 1HB LYS 653 1HB LYS 653 -3.961 22.652 6.459 1181 2HB LYS 653 2HB LYS 653 -5.247 23.293 5.457 1182 1HG LYS 653 1HG LYS 653 -5.053 23.597 8.452 1183 2HG LYS 653 2HG LYS 653 -4.558 24.809 7.272 1184 1HD LYS 653 1HD LYS 653 -7.361 23.710 7.531 1185 2HD LYS 653 2HD LYS 653 -6.812 25.211 8.258 1186 1HE LYS 653 1HE LYS 653 -6.849 24.597 5.296 1187 2HE LYS 653 2HE LYS 653 -8.017 25.592 6.155 1188 1HZ LYS 653 1HZ LYS 653 -6.228 27.136 6.700 1189 2HZ LYS 653 2HZ LYS 653 -6.407 26.963 5.057 1190 3HZ LYS 653 3HZ LYS 653 -5.123 26.208 5.839 1191 H SER 654 H SER 654 -6.455 19.179 6.519 1192 HA SER 654 HA SER 654 -4.843 18.047 4.665 1193 1HB SER 654 1HB SER 654 -7.756 17.411 5.080 1194 2HB SER 654 2HB SER 654 -6.492 16.317 4.512 1195 HG SER 654 HG SER 654 -5.461 17.024 6.655 1196 H THR 655 H THR 655 -4.464 18.765 2.712 1197 HA THR 655 HA THR 655 -6.498 20.022 1.184 1198 HB THR 655 HB THR 655 -4.400 21.103 1.034 1199 HG1 THR 655 HG1 THR 655 -5.436 21.029 -0.947 1200 1HG2 THR 655 1HG2 THR 655 -3.174 18.456 0.240 1201 2HG2 THR 655 2HG2 THR 655 -2.903 19.336 1.748 1202 3HG2 THR 655 3HG2 THR 655 -2.325 20.000 0.225 1203 H VAL 656 H VAL 656 -7.908 18.353 1.005 1204 HA VAL 656 HA VAL 656 -7.259 16.478 -1.158 1205 HB VAL 656 HB VAL 656 -9.167 15.917 1.124 1206 1HG1 VAL 656 1HG1 VAL 656 -8.173 14.107 -1.072 1207 2HG1 VAL 656 2HG1 VAL 656 -9.764 14.851 -0.995 1208 3HG1 VAL 656 3HG1 VAL 656 -9.293 13.659 0.218 1209 1HG2 VAL 656 1HG2 VAL 656 -7.546 14.233 1.893 1210 2HG2 VAL 656 2HG2 VAL 656 -6.871 15.869 1.922 1211 3HG2 VAL 656 3HG2 VAL 656 -6.442 14.762 0.619 1212 H ASP 657 H ASP 657 -8.090 17.615 -2.678 1213 HA ASP 657 HA ASP 657 -10.963 18.133 -2.736 1214 1HB ASP 657 1HB ASP 657 -10.700 20.443 -3.482 1215 2HB ASP 657 2HB ASP 657 -9.929 20.255 -1.914 Start of MODEL 17 1 1H HIS 501 1H HIS 501 -7.134 -16.233 -8.135 2 HA HIS 501 HA HIS 501 -4.994 -15.174 -7.641 3 1HB HIS 501 1HB HIS 501 -5.110 -12.900 -6.677 4 2HB HIS 501 2HB HIS 501 -5.516 -12.921 -8.386 5 HD1 HIS 501 HD1 HIS 501 -7.529 -11.477 -8.919 6 HD2 HIS 501 HD2 HIS 501 -7.545 -12.831 -4.988 7 HE1 HIS 501 HE1 HIS 501 -9.510 -10.406 -7.818 8 H ALA 502 H ALA 502 -4.689 -14.173 -5.257 9 HA ALA 502 HA ALA 502 -6.465 -15.710 -3.503 10 1HB ALA 502 1HB ALA 502 -4.333 -16.863 -3.822 11 2HB ALA 502 2HB ALA 502 -4.481 -16.263 -2.165 12 3HB ALA 502 3HB ALA 502 -3.470 -15.410 -3.335 13 H GLY 503 H GLY 503 -4.113 -13.132 -3.852 14 1HA GLY 503 1HA GLY 503 -5.072 -12.090 -1.363 15 2HA GLY 503 2HA GLY 503 -3.503 -11.686 -2.036 16 H ILE 504 H ILE 504 -5.620 -10.031 -1.000 17 HA ILE 504 HA ILE 504 -5.824 -8.225 -3.267 18 HB ILE 504 HB ILE 504 -7.873 -8.464 -1.030 19 1HG1 ILE 504 1HG1 ILE 504 -9.544 -8.892 -2.958 20 2HG1 ILE 504 2HG1 ILE 504 -8.141 -9.250 -3.950 21 1HG2 ILE 504 1HG2 ILE 504 -7.507 -6.193 -1.722 22 2HG2 ILE 504 2HG2 ILE 504 -9.122 -6.700 -2.239 23 3HG2 ILE 504 3HG2 ILE 504 -7.793 -6.613 -3.405 24 1HD1 ILE 504 1HD1 ILE 504 -7.568 -11.095 -2.448 25 2HD1 ILE 504 2HD1 ILE 504 -9.187 -11.271 -3.130 26 3HD1 ILE 504 3HD1 ILE 504 -8.985 -10.724 -1.464 27 H PHE 505 H PHE 505 -3.955 -7.264 -2.594 28 HA PHE 505 HA PHE 505 -4.054 -6.041 0.065 29 1HB PHE 505 1HB PHE 505 -1.761 -6.671 -1.738 30 2HB PHE 505 2HB PHE 505 -1.576 -5.800 -0.208 31 HD1 PHE 505 HD1 PHE 505 -1.591 -8.961 -1.796 32 HD2 PHE 505 HD2 PHE 505 -2.460 -7.038 1.890 33 HE1 PHE 505 HE1 PHE 505 -1.415 -11.118 -0.635 34 HE2 PHE 505 HE2 PHE 505 -2.278 -9.191 3.057 35 HZ PHE 505 HZ PHE 505 -1.756 -11.230 1.795 36 H THR 506 H THR 506 -4.718 -4.031 -0.079 37 HA THR 506 HA THR 506 -3.585 -2.309 -2.075 38 HB THR 506 HB THR 506 -5.563 -3.225 -3.175 39 HG1 THR 506 HG1 THR 506 -6.257 -0.570 -2.464 40 1HG2 THR 506 1HG2 THR 506 -7.846 -2.820 -2.346 41 2HG2 THR 506 2HG2 THR 506 -7.177 -2.123 -0.873 42 3HG2 THR 506 3HG2 THR 506 -6.916 -3.828 -1.235 43 H PHE 507 H PHE 507 -4.281 0.023 -1.447 44 HA PHE 507 HA PHE 507 -4.660 0.203 1.449 45 1HB PHE 507 1HB PHE 507 -4.026 2.342 -0.614 46 2HB PHE 507 2HB PHE 507 -4.164 2.621 1.114 47 HD1 PHE 507 HD1 PHE 507 -2.034 1.618 -1.580 48 HD2 PHE 507 HD2 PHE 507 -2.476 1.536 2.645 49 HE1 PHE 507 HE1 PHE 507 0.371 1.161 -1.343 50 HE2 PHE 507 HE2 PHE 507 -0.072 1.082 2.893 51 HZ PHE 507 HZ PHE 507 1.355 0.896 0.894 52 H GLU 508 H GLU 508 -6.404 1.641 2.243 53 HA GLU 508 HA GLU 508 -8.681 1.345 0.460 54 1HB GLU 508 1HB GLU 508 -8.562 0.774 3.065 55 2HB GLU 508 2HB GLU 508 -8.888 2.491 3.220 56 1HG GLU 508 1HG GLU 508 -10.934 2.208 1.848 57 2HG GLU 508 2HG GLU 508 -10.561 0.476 1.791 58 H GLU 509 H GLU 509 -6.620 3.673 1.969 59 HA GLU 509 HA GLU 509 -7.933 5.795 0.479 60 1HB GLU 509 1HB GLU 509 -6.774 7.355 2.023 61 2HB GLU 509 2HB GLU 509 -7.880 6.287 2.861 62 1HG GLU 509 1HG GLU 509 -4.930 5.726 2.709 63 2HG GLU 509 2HG GLU 509 -5.603 6.787 3.934 64 HA PRO 510 HA PRO 510 -4.094 5.721 -1.909 65 1HB PRO 510 1HB PRO 510 -4.759 7.608 -3.696 66 2HB PRO 510 2HB PRO 510 -5.495 6.003 -3.739 67 1HG PRO 510 1HG PRO 510 -6.626 8.581 -2.766 68 2HG PRO 510 2HG PRO 510 -7.434 7.236 -3.585 69 1HD PRO 510 1HD PRO 510 -7.455 7.741 -0.838 70 2HD PRO 510 2HD PRO 510 -7.907 6.205 -1.614 71 H VAL 511 H VAL 511 -5.364 8.207 -0.000 72 HA VAL 511 HA VAL 511 -2.837 9.685 0.056 73 HB VAL 511 HB VAL 511 -5.573 10.998 -0.257 74 1HG1 VAL 511 1HG1 VAL 511 -4.226 12.235 1.296 75 2HG1 VAL 511 2HG1 VAL 511 -4.364 13.119 -0.230 76 3HG1 VAL 511 3HG1 VAL 511 -2.887 12.228 0.153 77 1HG2 VAL 511 1HG2 VAL 511 -4.759 11.936 -2.312 78 2HG2 VAL 511 2HG2 VAL 511 -4.591 10.172 -2.382 79 3HG2 VAL 511 3HG2 VAL 511 -3.186 11.195 -2.058 80 H THR 512 H THR 512 -2.275 10.200 2.045 81 HA THR 512 HA THR 512 -4.327 10.458 4.050 82 HB THR 512 HB THR 512 -3.352 8.091 4.191 83 HG1 THR 512 HG1 THR 512 -3.945 8.310 6.131 84 1HG2 THR 512 1HG2 THR 512 -1.101 7.817 5.171 85 2HG2 THR 512 2HG2 THR 512 -0.865 9.555 5.098 86 3HG2 THR 512 3HG2 THR 512 -1.040 8.630 3.597 87 H HIS 513 H HIS 513 -3.852 12.132 5.480 88 HA HIS 513 HA HIS 513 -1.340 13.537 4.960 89 1HB HIS 513 1HB HIS 513 -3.993 14.586 6.022 90 2HB HIS 513 2HB HIS 513 -2.516 15.534 5.953 91 HD1 HIS 513 HD1 HIS 513 -2.421 17.052 3.926 92 HD2 HIS 513 HD2 HIS 513 -4.756 13.668 3.259 93 HE1 HIS 513 HE1 HIS 513 -3.422 17.332 1.653 94 H VAL 514 H VAL 514 -0.029 13.861 6.663 95 HA VAL 514 HA VAL 514 -0.958 12.658 9.175 96 HB VAL 514 HB VAL 514 1.255 11.723 9.556 97 1HG1 VAL 514 1HG1 VAL 514 1.206 9.920 7.861 98 2HG1 VAL 514 2HG1 VAL 514 0.031 10.861 6.943 99 3HG1 VAL 514 3HG1 VAL 514 -0.379 10.270 8.553 100 1HG2 VAL 514 1HG2 VAL 514 1.906 12.658 6.759 101 2HG2 VAL 514 2HG2 VAL 514 2.938 11.637 7.762 102 3HG2 VAL 514 3HG2 VAL 514 2.592 13.298 8.250 103 H SER 515 H SER 515 0.128 13.218 11.009 104 HA SER 515 HA SER 515 0.536 16.025 11.142 105 1HB SER 515 1HB SER 515 0.606 13.736 13.085 106 2HB SER 515 2HB SER 515 0.642 15.435 13.529 107 HG SER 515 HG SER 515 -1.382 14.916 11.832 108 H GLU 516 H GLU 516 2.586 16.939 11.491 109 HA GLU 516 HA GLU 516 4.841 15.271 10.916 110 1HB GLU 516 1HB GLU 516 4.622 17.616 10.138 111 2HB GLU 516 2HB GLU 516 4.795 18.144 11.804 112 1HG GLU 516 1HG GLU 516 7.020 17.071 11.857 113 2HG GLU 516 2HG GLU 516 6.827 16.692 10.153 114 H SER 517 H SER 517 3.256 16.275 13.784 115 HA SER 517 HA SER 517 5.633 15.865 15.426 116 1HB SER 517 1HB SER 517 2.855 16.800 16.158 117 2HB SER 517 2HB SER 517 4.238 16.756 17.255 118 HG SER 517 HG SER 517 3.779 18.843 16.152 119 H ILE 518 H ILE 518 4.175 13.757 13.983 120 HA ILE 518 HA ILE 518 3.111 12.140 16.166 121 HB ILE 518 HB ILE 518 1.873 12.449 13.972 122 1HG1 ILE 518 1HG1 ILE 518 2.545 9.595 14.602 123 2HG1 ILE 518 2HG1 ILE 518 1.449 10.589 15.577 124 1HG2 ILE 518 1HG2 ILE 518 2.554 10.983 12.114 125 2HG2 ILE 518 2HG2 ILE 518 4.090 10.685 12.953 126 3HG2 ILE 518 3HG2 ILE 518 3.648 12.323 12.430 127 1HD1 ILE 518 1HD1 ILE 518 1.160 9.757 12.729 128 2HD1 ILE 518 2HD1 ILE 518 0.216 11.009 13.495 129 3HD1 ILE 518 3HD1 ILE 518 0.111 9.328 14.111 130 H GLY 519 H GLY 519 4.012 10.088 16.553 131 1HA GLY 519 1HA GLY 519 6.860 9.987 16.078 132 2HA GLY 519 2HA GLY 519 5.896 8.884 17.068 133 H ILE 520 H ILE 520 4.125 7.837 15.542 134 HA ILE 520 HA ILE 520 5.490 6.728 13.203 135 HB ILE 520 HB ILE 520 4.056 5.185 15.383 136 1HG1 ILE 520 1HG1 ILE 520 6.440 5.649 15.873 137 2HG1 ILE 520 2HG1 ILE 520 6.121 3.932 15.662 138 1HG2 ILE 520 1HG2 ILE 520 4.370 3.170 14.071 139 2HG2 ILE 520 2HG2 ILE 520 5.030 4.141 12.754 140 3HG2 ILE 520 3HG2 ILE 520 3.354 4.357 13.244 141 1HD1 ILE 520 1HD1 ILE 520 7.018 4.075 13.381 142 2HD1 ILE 520 2HD1 ILE 520 8.201 4.550 14.608 143 3HD1 ILE 520 3HD1 ILE 520 7.366 5.780 13.660 144 H MET 521 H MET 521 4.208 6.939 11.508 145 HA MET 521 HA MET 521 1.322 7.200 11.951 146 1HB MET 521 1HB MET 521 1.133 7.912 9.619 147 2HB MET 521 2HB MET 521 2.435 8.829 10.365 148 1HG MET 521 1HG MET 521 4.061 7.430 9.296 149 2HG MET 521 2HG MET 521 2.794 6.392 8.635 150 1HE MET 521 1HE MET 521 3.821 8.057 5.341 151 2HE MET 521 2HE MET 521 3.398 6.560 6.181 152 3HE MET 521 3HE MET 521 4.874 7.426 6.611 153 H GLU 522 H GLU 522 -0.075 5.675 11.343 154 HA GLU 522 HA GLU 522 1.064 3.287 10.125 155 1HB GLU 522 1HB GLU 522 -0.732 3.511 12.507 156 2HB GLU 522 2HB GLU 522 -0.694 2.048 11.536 157 1HG GLU 522 1HG GLU 522 1.675 1.822 11.943 158 2HG GLU 522 2HG GLU 522 1.670 3.309 12.902 159 H VAL 523 H VAL 523 -0.122 2.272 8.648 160 HA VAL 523 HA VAL 523 -2.689 3.511 7.903 161 HB VAL 523 HB VAL 523 -0.633 2.358 6.006 162 1HG1 VAL 523 1HG1 VAL 523 -1.992 3.414 4.249 163 2HG1 VAL 523 2HG1 VAL 523 -3.152 3.932 5.471 164 3HG1 VAL 523 3HG1 VAL 523 -2.911 2.216 5.162 165 1HG2 VAL 523 1HG2 VAL 523 -0.132 4.627 5.341 166 2HG2 VAL 523 2HG2 VAL 523 0.216 4.392 7.054 167 3HG2 VAL 523 3HG2 VAL 523 -1.245 5.262 6.554 168 H LYS 524 H LYS 524 -4.304 2.103 7.808 169 HA LYS 524 HA LYS 524 -3.853 -0.666 8.409 170 1HB LYS 524 1HB LYS 524 -6.334 0.945 7.906 171 2HB LYS 524 2HB LYS 524 -6.358 -0.757 8.324 172 1HG LYS 524 1HG LYS 524 -4.907 1.158 10.052 173 2HG LYS 524 2HG LYS 524 -6.669 1.004 10.220 174 1HD LYS 524 1HD LYS 524 -6.420 -1.352 10.646 175 2HD LYS 524 2HD LYS 524 -4.676 -1.263 10.375 176 1HE LYS 524 1HE LYS 524 -5.235 -1.412 12.694 177 2HE LYS 524 2HE LYS 524 -4.464 0.144 12.351 178 1HZ LYS 524 1HZ LYS 524 -6.341 0.359 13.862 179 2HZ LYS 524 2HZ LYS 524 -7.391 -0.319 12.733 180 3HZ LYS 524 3HZ LYS 524 -6.675 1.174 12.428 181 H VAL 525 H VAL 525 -3.542 -2.087 7.035 182 HA VAL 525 HA VAL 525 -4.103 -1.605 4.171 183 HB VAL 525 HB VAL 525 -2.380 -3.788 5.356 184 1HG1 VAL 525 1HG1 VAL 525 -2.523 -2.697 2.546 185 2HG1 VAL 525 2HG1 VAL 525 -3.142 -4.261 3.078 186 3HG1 VAL 525 3HG1 VAL 525 -1.406 -3.943 3.105 187 1HG2 VAL 525 1HG2 VAL 525 -1.569 -1.108 4.274 188 2HG2 VAL 525 2HG2 VAL 525 -0.471 -2.400 4.763 189 3HG2 VAL 525 3HG2 VAL 525 -1.504 -1.620 5.957 190 H LEU 526 H LEU 526 -5.349 -2.906 2.948 191 HA LEU 526 HA LEU 526 -7.256 -4.583 4.216 192 1HB LEU 526 1HB LEU 526 -6.637 -4.142 1.284 193 2HB LEU 526 2HB LEU 526 -7.943 -5.150 1.846 194 HG LEU 526 HG LEU 526 -8.888 -3.069 1.140 195 1HD1 LEU 526 1HD1 LEU 526 -9.946 -2.204 3.096 196 2HD1 LEU 526 2HD1 LEU 526 -8.796 -3.064 4.123 197 3HD1 LEU 526 3HD1 LEU 526 -9.917 -3.971 3.098 198 1HD2 LEU 526 1HD2 LEU 526 -8.269 -0.918 2.006 199 2HD2 LEU 526 2HD2 LEU 526 -6.866 -1.689 1.261 200 3HD2 LEU 526 3HD2 LEU 526 -7.025 -1.647 3.016 201 H ARG 527 H ARG 527 -7.494 -6.821 4.038 202 HA ARG 527 HA ARG 527 -4.892 -8.160 3.955 203 1HB ARG 527 1HB ARG 527 -6.310 -8.200 5.992 204 2HB ARG 527 2HB ARG 527 -7.529 -9.087 5.091 205 1HG ARG 527 1HG ARG 527 -5.543 -10.773 4.698 206 2HG ARG 527 2HG ARG 527 -4.890 -9.976 6.136 207 1HD ARG 527 1HD ARG 527 -6.131 -11.853 6.876 208 2HD ARG 527 2HD ARG 527 -7.088 -10.413 7.247 209 HE ARG 527 HE ARG 527 -7.546 -12.081 4.870 210 1HH1 ARG 527 1HH1 ARG 527 -8.878 -10.077 7.469 211 2HH1 ARG 527 2HH1 ARG 527 -10.479 -10.561 7.199 212 1HH2 ARG 527 1HH2 ARG 527 -9.763 -12.708 4.474 213 2HH2 ARG 527 2HH2 ARG 527 -10.998 -12.086 5.449 214 H THR 528 H THR 528 -4.731 -10.215 2.989 215 HA THR 528 HA THR 528 -6.078 -10.642 0.578 216 HB THR 528 HB THR 528 -3.874 -11.486 0.835 217 HG1 THR 528 HG1 THR 528 -4.856 -14.015 0.775 218 1HG2 THR 528 1HG2 THR 528 -3.382 -13.416 2.419 219 2HG2 THR 528 2HG2 THR 528 -4.927 -13.006 3.210 220 3HG2 THR 528 3HG2 THR 528 -3.628 -11.838 3.155 221 H SER 529 H SER 529 -7.826 -11.833 0.100 222 HA SER 529 HA SER 529 -9.506 -12.692 2.286 223 1HB SER 529 1HB SER 529 -10.425 -11.471 0.296 224 2HB SER 529 2HB SER 529 -10.000 -12.856 -0.705 225 HG SER 529 HG SER 529 -12.120 -12.992 -0.145 226 H GLY 530 H GLY 530 -7.612 -14.099 -0.356 227 1HA GLY 530 1HA GLY 530 -8.296 -16.776 0.443 228 2HA GLY 530 2HA GLY 530 -7.221 -16.282 -0.873 229 H ALA 531 H ALA 531 -7.464 -17.095 2.402 230 HA ALA 531 HA ALA 531 -4.585 -17.066 2.642 231 1HB ALA 531 1HB ALA 531 -4.599 -15.827 4.739 232 2HB ALA 531 2HB ALA 531 -6.340 -15.569 4.584 233 3HB ALA 531 3HB ALA 531 -5.234 -14.856 3.412 234 H ARG 532 H ARG 532 -4.621 -19.239 2.831 235 HA ARG 532 HA ARG 532 -5.772 -20.208 5.302 236 1HB ARG 532 1HB ARG 532 -5.089 -21.693 2.763 237 2HB ARG 532 2HB ARG 532 -5.508 -22.500 4.262 238 1HG ARG 532 1HG ARG 532 -7.519 -22.467 2.997 239 2HG ARG 532 2HG ARG 532 -7.617 -21.151 4.196 240 1HD ARG 532 1HD ARG 532 -7.155 -19.529 2.660 241 2HD ARG 532 2HD ARG 532 -6.674 -20.690 1.440 242 HE ARG 532 HE ARG 532 -9.390 -20.960 2.316 243 1HH1 ARG 532 1HH1 ARG 532 -7.240 -19.254 0.045 244 2HH1 ARG 532 2HH1 ARG 532 -8.501 -18.797 -1.000 245 1HH2 ARG 532 1HH2 ARG 532 -11.127 -20.334 0.777 246 2HH2 ARG 532 2HH2 ARG 532 -10.703 -19.379 -0.569 247 H GLY 533 H GLY 533 -3.188 -18.797 4.503 248 1HA GLY 533 1HA GLY 533 -1.258 -20.527 5.773 249 2HA GLY 533 2HA GLY 533 -0.978 -20.214 4.072 250 H ASN 534 H ASN 534 1.013 -19.253 4.993 251 HA ASN 534 HA ASN 534 0.657 -16.589 6.166 252 1HB ASN 534 1HB ASN 534 2.268 -18.199 7.199 253 2HB ASN 534 2HB ASN 534 3.185 -18.198 5.705 254 1HD2 ASN 534 1HD2 ASN 534 1.729 -15.289 7.169 255 2HD2 ASN 534 2HD2 ASN 534 3.223 -14.581 7.578 256 H VAL 535 H VAL 535 1.135 -14.717 5.048 257 HA VAL 535 HA VAL 535 2.341 -14.944 2.402 258 HB VAL 535 HB VAL 535 -0.159 -13.316 3.034 259 1HG1 VAL 535 1HG1 VAL 535 1.319 -13.698 0.445 260 2HG1 VAL 535 2HG1 VAL 535 1.301 -12.210 1.398 261 3HG1 VAL 535 3HG1 VAL 535 -0.184 -12.797 0.634 262 1HG2 VAL 535 1HG2 VAL 535 0.226 -15.731 1.315 263 2HG2 VAL 535 2HG2 VAL 535 -1.267 -14.790 1.400 264 3HG2 VAL 535 3HG2 VAL 535 -0.688 -15.679 2.824 265 H ILE 536 H ILE 536 3.812 -13.433 2.062 266 HA ILE 536 HA ILE 536 4.210 -11.321 4.090 267 HB ILE 536 HB ILE 536 6.118 -12.573 2.101 268 1HG1 ILE 536 1HG1 ILE 536 5.561 -13.942 4.072 269 2HG1 ILE 536 2HG1 ILE 536 7.255 -13.462 4.034 270 1HG2 ILE 536 1HG2 ILE 536 7.890 -11.228 3.124 271 2HG2 ILE 536 2HG2 ILE 536 6.670 -10.408 4.099 272 3HG2 ILE 536 3HG2 ILE 536 6.665 -10.219 2.344 273 1HD1 ILE 536 1HD1 ILE 536 5.085 -12.210 5.695 274 2HD1 ILE 536 2HD1 ILE 536 6.747 -11.662 5.564 275 3HD1 ILE 536 3HD1 ILE 536 6.408 -13.253 6.273 276 H VAL 537 H VAL 537 4.215 -9.197 3.515 277 HA VAL 537 HA VAL 537 3.967 -8.589 0.650 278 HB VAL 537 HB VAL 537 2.502 -7.132 2.878 279 1HG1 VAL 537 1HG1 VAL 537 3.080 -5.647 1.034 280 2HG1 VAL 537 2HG1 VAL 537 1.340 -5.943 1.069 281 3HG1 VAL 537 3HG1 VAL 537 2.353 -6.769 -0.117 282 1HG2 VAL 537 1HG2 VAL 537 1.562 -9.345 2.466 283 2HG2 VAL 537 2HG2 VAL 537 1.420 -8.961 0.750 284 3HG2 VAL 537 3HG2 VAL 537 0.462 -8.074 1.930 285 HA PRO 538 HA PRO 538 7.474 -6.018 1.974 286 1HB PRO 538 1HB PRO 538 8.425 -5.511 -0.485 287 2HB PRO 538 2HB PRO 538 8.694 -7.072 0.296 288 1HG PRO 538 1HG PRO 538 6.681 -6.316 -1.778 289 2HG PRO 538 2HG PRO 538 7.665 -7.784 -1.666 290 1HD PRO 538 1HD PRO 538 5.056 -7.652 -0.895 291 2HD PRO 538 2HD PRO 538 6.224 -8.775 -0.170 292 H TYR 539 H TYR 539 7.894 -3.794 1.875 293 HA TYR 539 HA TYR 539 6.294 -2.128 0.132 294 1HB TYR 539 1HB TYR 539 5.479 -0.699 1.951 295 2HB TYR 539 2HB TYR 539 4.903 -2.345 2.158 296 HD1 TYR 539 HD1 TYR 539 7.199 0.220 3.474 297 HD2 TYR 539 HD2 TYR 539 5.538 -3.641 4.056 298 HE1 TYR 539 HE1 TYR 539 8.035 0.226 5.772 299 HE2 TYR 539 HE2 TYR 539 6.371 -3.657 6.367 300 HH TYR 539 HH TYR 539 7.683 -0.816 7.839 301 H LYS 540 H LYS 540 7.056 0.107 0.189 302 HA LYS 540 HA LYS 540 9.631 0.596 1.411 303 1HB LYS 540 1HB LYS 540 10.679 1.211 -0.719 304 2HB LYS 540 2HB LYS 540 10.247 -0.494 -0.691 305 1HG LYS 540 1HG LYS 540 8.331 -0.096 -2.072 306 2HG LYS 540 2HG LYS 540 8.576 1.648 -1.978 307 1HD LYS 540 1HD LYS 540 10.745 1.354 -3.079 308 2HD LYS 540 2HD LYS 540 10.397 -0.365 -3.262 309 1HE LYS 540 1HE LYS 540 8.434 0.126 -4.597 310 2HE LYS 540 2HE LYS 540 8.669 1.851 -4.332 311 1HZ LYS 540 1HZ LYS 540 9.459 1.178 -6.511 312 2HZ LYS 540 2HZ LYS 540 10.506 0.073 -5.854 313 3HZ LYS 540 3HZ LYS 540 10.742 1.726 -5.582 314 H THR 541 H THR 541 10.172 2.845 1.333 315 HA THR 541 HA THR 541 7.924 4.603 0.792 316 HB THR 541 HB THR 541 9.561 6.277 1.915 317 HG1 THR 541 HG1 THR 541 11.461 5.155 2.135 318 1HG2 THR 541 1HG2 THR 541 8.315 4.036 3.491 319 2HG2 THR 541 2HG2 THR 541 7.506 5.521 2.975 320 3HG2 THR 541 3HG2 THR 541 8.816 5.590 4.155 321 H ILE 542 H ILE 542 7.903 5.715 -1.030 322 HA ILE 542 HA ILE 542 10.369 6.074 -2.535 323 HB ILE 542 HB ILE 542 7.526 6.916 -3.241 324 1HG1 ILE 542 1HG1 ILE 542 7.780 5.154 -5.109 325 2HG1 ILE 542 2HG1 ILE 542 9.144 4.546 -4.193 326 1HG2 ILE 542 1HG2 ILE 542 9.105 8.385 -4.293 327 2HG2 ILE 542 2HG2 ILE 542 8.379 7.340 -5.516 328 3HG2 ILE 542 3HG2 ILE 542 10.012 7.013 -4.932 329 1HD1 ILE 542 1HD1 ILE 542 6.308 4.714 -3.229 330 2HD1 ILE 542 2HD1 ILE 542 7.669 4.050 -2.320 331 3HD1 ILE 542 3HD1 ILE 542 7.116 3.255 -3.799 332 H GLU 543 H GLU 543 11.549 7.755 -1.957 333 HA GLU 543 HA GLU 543 10.893 9.753 -0.169 334 1HB GLU 543 1HB GLU 543 13.002 9.686 -2.325 335 2HB GLU 543 2HB GLU 543 12.896 10.953 -1.109 336 1HG GLU 543 1HG GLU 543 13.359 9.454 0.645 337 2HG GLU 543 2HG GLU 543 13.112 8.051 -0.390 338 H GLY 544 H GLY 544 11.027 10.041 -3.697 339 1HA GLY 544 1HA GLY 544 9.811 11.334 -5.138 340 2HA GLY 544 2HA GLY 544 8.699 11.656 -3.818 341 H THR 545 H THR 545 8.946 13.468 -2.602 342 HA THR 545 HA THR 545 10.921 15.372 -3.617 343 HB THR 545 HB THR 545 8.736 16.047 -4.423 344 HG1 THR 545 HG1 THR 545 9.960 17.594 -2.459 345 1HG2 THR 545 1HG2 THR 545 7.255 14.950 -2.904 346 2HG2 THR 545 2HG2 THR 545 6.919 16.686 -2.774 347 3HG2 THR 545 3HG2 THR 545 7.884 15.866 -1.551 348 H ALA 546 H ALA 546 10.508 13.479 -1.112 349 HA ALA 546 HA ALA 546 11.007 15.516 0.918 350 1HB ALA 546 1HB ALA 546 10.467 12.547 1.237 351 2HB ALA 546 2HB ALA 546 9.338 13.881 1.532 352 3HB ALA 546 3HB ALA 546 10.739 13.686 2.557 353 H ARG 547 H ARG 547 12.807 14.957 2.530 354 HA ARG 547 HA ARG 547 15.224 14.512 1.077 355 1HB ARG 547 1HB ARG 547 14.661 15.964 3.209 356 2HB ARG 547 2HB ARG 547 14.998 14.472 4.064 357 1HG ARG 547 1HG ARG 547 17.017 15.646 4.102 358 2HG ARG 547 2HG ARG 547 17.229 14.485 2.786 359 1HD ARG 547 1HD ARG 547 17.996 16.657 2.103 360 2HD ARG 547 2HD ARG 547 16.534 16.201 1.200 361 HE ARG 547 HE ARG 547 16.406 17.925 3.570 362 1HH1 ARG 547 1HH1 ARG 547 15.745 17.499 0.103 363 2HH1 ARG 547 2HH1 ARG 547 14.666 18.808 0.017 364 1HH2 ARG 547 1HH2 ARG 547 14.950 19.707 3.452 365 2HH2 ARG 547 2HH2 ARG 547 14.215 20.118 1.970 366 H GLY 548 H GLY 548 16.818 12.822 1.978 367 1HA GLY 548 1HA GLY 548 15.712 10.265 1.722 368 2HA GLY 548 2HA GLY 548 17.355 10.628 2.201 369 H GLY 549 H GLY 549 16.514 8.518 3.264 370 1HA GLY 549 1HA GLY 549 14.829 8.482 5.456 371 2HA GLY 549 2HA GLY 549 16.146 7.360 5.168 372 H GLY 550 H GLY 550 14.912 9.233 7.369 373 1HA GLY 550 1HA GLY 550 15.861 9.443 9.516 374 2HA GLY 550 2HA GLY 550 17.458 9.426 8.790 375 H GLU 551 H GLU 551 15.987 11.447 6.822 376 HA GLU 551 HA GLU 551 16.951 13.740 8.326 377 1HB GLU 551 1HB GLU 551 15.917 13.520 5.522 378 2HB GLU 551 2HB GLU 551 16.681 14.944 6.221 379 1HG GLU 551 1HG GLU 551 17.919 12.269 5.691 380 2HG GLU 551 2HG GLU 551 18.181 13.751 4.771 381 H ASP 552 H ASP 552 14.209 13.392 6.135 382 HA ASP 552 HA ASP 552 12.552 14.922 8.039 383 1HB ASP 552 1HB ASP 552 11.878 14.023 5.227 384 2HB ASP 552 2HB ASP 552 10.771 14.877 6.280 385 H PHE 553 H PHE 553 12.749 11.773 6.533 386 HA PHE 553 HA PHE 553 10.840 10.792 8.474 387 1HB PHE 553 1HB PHE 553 9.412 9.746 6.840 388 2HB PHE 553 2HB PHE 553 9.657 11.384 6.294 389 HD1 PHE 553 HD1 PHE 553 10.141 7.903 5.601 390 HD2 PHE 553 HD2 PHE 553 11.120 11.827 4.345 391 HE1 PHE 553 HE1 PHE 553 10.806 7.019 3.400 392 HE2 PHE 553 HE2 PHE 553 11.800 10.955 2.138 393 HZ PHE 553 HZ PHE 553 11.639 8.544 1.670 394 H GLU 554 H GLU 554 11.047 8.474 8.692 395 HA GLU 554 HA GLU 554 13.747 7.578 8.166 396 1HB GLU 554 1HB GLU 554 12.408 7.395 10.361 397 2HB GLU 554 2HB GLU 554 11.479 6.166 9.556 398 1HG GLU 554 1HG GLU 554 14.454 6.012 10.058 399 2HG GLU 554 2HG GLU 554 13.229 5.340 11.118 400 H ASP 555 H ASP 555 14.144 6.485 6.370 401 HA ASP 555 HA ASP 555 12.064 5.811 4.524 402 1HB ASP 555 1HB ASP 555 14.227 6.697 3.745 403 2HB ASP 555 2HB ASP 555 15.040 5.279 4.395 404 H THR 556 H THR 556 10.897 4.097 4.792 405 HA THR 556 HA THR 556 12.145 1.830 6.094 406 HB THR 556 HB THR 556 10.380 2.755 7.458 407 HG1 THR 556 HG1 THR 556 10.135 0.768 7.920 408 1HG2 THR 556 1HG2 THR 556 8.024 2.663 6.723 409 2HG2 THR 556 2HG2 THR 556 8.587 2.331 5.071 410 3HG2 THR 556 3HG2 THR 556 8.987 3.859 5.858 411 H CYS 557 H CYS 557 12.400 0.080 5.060 412 HA CYS 557 HA CYS 557 10.566 -0.653 2.962 413 1HB CYS 557 1HB CYS 557 12.501 -1.476 1.595 414 2HB CYS 557 2HB CYS 557 12.448 0.272 1.761 415 HG CYS 557 HG CYS 557 14.628 0.558 3.297 416 H GLY 558 H GLY 558 9.676 -2.470 3.661 417 1HA GLY 558 1HA GLY 558 11.299 -4.484 4.890 418 2HA GLY 558 2HA GLY 558 10.115 -3.711 5.945 419 H GLU 559 H GLU 559 9.169 -5.800 6.091 420 HA GLU 559 HA GLU 559 7.343 -6.351 3.902 421 1HB GLU 559 1HB GLU 559 9.272 -8.252 5.176 422 2HB GLU 559 2HB GLU 559 7.855 -8.816 4.283 423 1HG GLU 559 1HG GLU 559 8.703 -7.856 2.261 424 2HG GLU 559 2HG GLU 559 10.016 -7.054 3.122 425 H LEU 560 H LEU 560 5.390 -6.754 4.581 426 HA LEU 560 HA LEU 560 4.785 -6.851 7.440 427 1HB LEU 560 1HB LEU 560 3.005 -6.643 5.015 428 2HB LEU 560 2HB LEU 560 2.469 -6.547 6.677 429 HG LEU 560 HG LEU 560 4.311 -4.562 5.359 430 1HD1 LEU 560 1HD1 LEU 560 2.102 -4.515 4.345 431 2HD1 LEU 560 2HD1 LEU 560 2.362 -3.087 5.348 432 3HD1 LEU 560 3HD1 LEU 560 1.358 -4.409 5.940 433 1HD2 LEU 560 1HD2 LEU 560 3.807 -3.185 7.318 434 2HD2 LEU 560 2HD2 LEU 560 4.579 -4.705 7.787 435 3HD2 LEU 560 3HD2 LEU 560 2.839 -4.500 7.987 436 H GLU 561 H GLU 561 3.744 -8.609 8.370 437 HA GLU 561 HA GLU 561 3.651 -11.004 6.728 438 1HB GLU 561 1HB GLU 561 4.960 -10.976 8.866 439 2HB GLU 561 2HB GLU 561 3.435 -10.761 9.715 440 1HG GLU 561 1HG GLU 561 2.659 -12.866 8.549 441 2HG GLU 561 2HG GLU 561 4.345 -13.111 8.110 442 H PHE 562 H PHE 562 1.757 -11.676 6.045 443 HA PHE 562 HA PHE 562 -0.645 -11.156 7.647 444 1HB PHE 562 1HB PHE 562 -0.263 -11.297 4.663 445 2HB PHE 562 2HB PHE 562 -1.823 -11.569 5.406 446 HD1 PHE 562 HD1 PHE 562 0.692 -9.089 4.495 447 HD2 PHE 562 HD2 PHE 562 -3.005 -9.775 6.449 448 HE1 PHE 562 HE1 PHE 562 0.173 -6.694 4.318 449 HE2 PHE 562 HE2 PHE 562 -3.551 -7.368 6.285 450 HZ PHE 562 HZ PHE 562 -1.957 -5.830 5.208 451 H GLN 563 H GLN 563 -2.181 -12.959 7.571 452 HA GLN 563 HA GLN 563 -1.464 -15.323 6.246 453 1HB GLN 563 1HB GLN 563 -1.267 -16.771 8.292 454 2HB GLN 563 2HB GLN 563 0.110 -15.716 8.022 455 1HG GLN 563 1HG GLN 563 -0.524 -14.292 9.736 456 2HG GLN 563 2HG GLN 563 -2.108 -15.055 9.935 457 1HE2 GLN 563 1HE2 GLN 563 0.928 -16.794 9.482 458 2HE2 GLN 563 2HE2 GLN 563 0.985 -17.466 11.059 459 H ASN 564 H ASN 564 -2.899 -17.128 7.300 460 HA ASN 564 HA ASN 564 -5.568 -16.404 6.814 461 1HB ASN 564 1HB ASN 564 -6.118 -18.686 7.573 462 2HB ASN 564 2HB ASN 564 -4.795 -18.653 6.421 463 1HD2 ASN 564 1HD2 ASN 564 -5.535 -20.694 8.316 464 2HD2 ASN 564 2HD2 ASN 564 -4.182 -20.976 9.324 465 H ASP 565 H ASP 565 -3.758 -16.791 9.692 466 HA ASP 565 HA ASP 565 -6.120 -16.462 11.377 467 1HB ASP 565 1HB ASP 565 -4.423 -18.126 12.009 468 2HB ASP 565 2HB ASP 565 -3.236 -16.844 12.201 469 H GLU 566 H GLU 566 -3.826 -14.373 10.015 470 HA GLU 566 HA GLU 566 -4.218 -12.420 12.182 471 1HB GLU 566 1HB GLU 566 -1.854 -13.055 11.766 472 2HB GLU 566 2HB GLU 566 -2.028 -12.480 10.113 473 1HG GLU 566 1HG GLU 566 -0.911 -10.803 11.400 474 2HG GLU 566 2HG GLU 566 -2.521 -10.227 10.974 475 H ILE 567 H ILE 567 -5.357 -10.613 11.721 476 HA ILE 567 HA ILE 567 -5.797 -10.077 8.898 477 HB ILE 567 HB ILE 567 -7.836 -8.930 9.448 478 1HG1 ILE 567 1HG1 ILE 567 -7.746 -9.632 12.339 479 2HG1 ILE 567 2HG1 ILE 567 -6.774 -8.260 11.808 480 1HG2 ILE 567 1HG2 ILE 567 -9.194 -10.742 10.405 481 2HG2 ILE 567 2HG2 ILE 567 -7.712 -11.559 10.902 482 3HG2 ILE 567 3HG2 ILE 567 -8.051 -11.316 9.189 483 1HD1 ILE 567 1HD1 ILE 567 -9.730 -8.592 11.367 484 2HD1 ILE 567 2HD1 ILE 567 -8.705 -7.251 10.835 485 3HD1 ILE 567 3HD1 ILE 567 -8.957 -7.531 12.564 486 H VAL 568 H VAL 568 -6.030 -7.843 8.407 487 HA VAL 568 HA VAL 568 -4.989 -5.937 7.954 488 HB VAL 568 HB VAL 568 -6.641 -5.550 9.916 489 1HG1 VAL 568 1HG1 VAL 568 -5.271 -6.096 11.778 490 2HG1 VAL 568 2HG1 VAL 568 -5.684 -4.366 11.852 491 3HG1 VAL 568 3HG1 VAL 568 -4.092 -4.871 11.306 492 1HG2 VAL 568 1HG2 VAL 568 -6.232 -3.152 9.872 493 2HG2 VAL 568 2HG2 VAL 568 -6.078 -3.850 8.255 494 3HG2 VAL 568 3HG2 VAL 568 -4.640 -3.425 9.182 495 H LYS 569 H LYS 569 -3.247 -4.412 8.223 496 HA LYS 569 HA LYS 569 -1.099 -4.976 10.007 497 1HB LYS 569 1HB LYS 569 -0.801 -5.250 7.020 498 2HB LYS 569 2HB LYS 569 0.538 -4.694 7.998 499 1HG LYS 569 1HG LYS 569 -0.806 -7.306 8.595 500 2HG LYS 569 2HG LYS 569 0.386 -7.188 7.308 501 1HD LYS 569 1HD LYS 569 1.554 -7.930 9.224 502 2HD LYS 569 2HD LYS 569 1.975 -6.244 9.017 503 1HE LYS 569 1HE LYS 569 1.612 -6.819 11.360 504 2HE LYS 569 2HE LYS 569 0.412 -5.652 10.847 505 1HZ LYS 569 1HZ LYS 569 0.055 -8.580 11.107 506 2HZ LYS 569 2HZ LYS 569 -1.176 -7.516 10.596 507 3HZ LYS 569 3HZ LYS 569 -0.562 -7.426 12.155 508 H THR 570 H THR 570 0.479 -3.198 9.874 509 HA THR 570 HA THR 570 -0.606 -0.826 8.595 510 HB THR 570 HB THR 570 0.206 0.391 10.721 511 HG1 THR 570 HG1 THR 570 0.291 -0.698 12.533 512 1HG2 THR 570 1HG2 THR 570 -2.358 -1.204 10.821 513 2HG2 THR 570 2HG2 THR 570 -2.125 0.347 10.004 514 3HG2 THR 570 3HG2 THR 570 -1.984 0.249 11.758 515 H ILE 571 H ILE 571 0.927 0.205 7.491 516 HA ILE 571 HA ILE 571 3.676 -0.548 7.895 517 HB ILE 571 HB ILE 571 2.546 1.654 6.110 518 1HG1 ILE 571 1HG1 ILE 571 3.390 0.128 4.248 519 2HG1 ILE 571 2HG1 ILE 571 3.532 -1.127 5.468 520 1HG2 ILE 571 1HG2 ILE 571 5.361 0.604 6.280 521 2HG2 ILE 571 2HG2 ILE 571 4.795 2.193 6.803 522 3HG2 ILE 571 3HG2 ILE 571 4.754 1.757 5.092 523 1HD1 ILE 571 1HD1 ILE 571 1.159 -0.978 5.884 524 2HD1 ILE 571 2HD1 ILE 571 1.506 -1.327 4.189 525 3HD1 ILE 571 3HD1 ILE 571 1.019 0.298 4.678 526 H SER 572 H SER 572 4.594 0.136 9.695 527 HA SER 572 HA SER 572 3.888 2.665 10.802 528 1HB SER 572 1HB SER 572 5.568 1.807 12.553 529 2HB SER 572 2HB SER 572 4.057 0.918 12.373 530 HG SER 572 HG SER 572 6.249 -0.200 12.385 531 H VAL 573 H VAL 573 4.794 4.404 10.085 532 HA VAL 573 HA VAL 573 7.589 4.273 9.179 533 HB VAL 573 HB VAL 573 5.523 6.319 8.334 534 1HG1 VAL 573 1HG1 VAL 573 7.165 6.958 6.614 535 2HG1 VAL 573 2HG1 VAL 573 8.308 5.801 7.295 536 3HG1 VAL 573 3HG1 VAL 573 7.788 7.187 8.248 537 1HG2 VAL 573 1HG2 VAL 573 6.558 3.931 6.808 538 2HG2 VAL 573 2HG2 VAL 573 5.542 5.202 6.137 539 3HG2 VAL 573 3HG2 VAL 573 4.921 4.166 7.422 540 H LYS 574 H LYS 574 8.979 5.477 10.190 541 HA LYS 574 HA LYS 574 8.136 7.048 12.470 542 1HB LYS 574 1HB LYS 574 9.945 5.454 12.764 543 2HB LYS 574 2HB LYS 574 10.854 6.189 11.463 544 1HG LYS 574 1HG LYS 574 11.016 8.259 12.802 545 2HG LYS 574 2HG LYS 574 10.196 7.420 14.122 546 1HD LYS 574 1HD LYS 574 11.997 5.778 14.212 547 2HD LYS 574 2HD LYS 574 12.811 6.577 12.867 548 1HE LYS 574 1HE LYS 574 12.990 8.624 14.218 549 2HE LYS 574 2HE LYS 574 12.234 7.786 15.567 550 1HZ LYS 574 1HZ LYS 574 14.613 7.864 15.780 551 2HZ LYS 574 2HZ LYS 574 14.845 7.052 14.330 552 3HZ LYS 574 3HZ LYS 574 14.095 6.268 15.643 553 H VAL 575 H VAL 575 7.828 9.104 12.374 554 HA VAL 575 HA VAL 575 8.877 10.641 10.144 555 HB VAL 575 HB VAL 575 7.053 11.509 12.431 556 1HG1 VAL 575 1HG1 VAL 575 6.528 13.454 11.030 557 2HG1 VAL 575 2HG1 VAL 575 7.680 12.892 9.817 558 3HG1 VAL 575 3HG1 VAL 575 8.251 13.389 11.408 559 1HG2 VAL 575 1HG2 VAL 575 5.225 11.371 10.796 560 2HG2 VAL 575 2HG2 VAL 575 5.988 9.801 11.057 561 3HG2 VAL 575 3HG2 VAL 575 6.353 10.727 9.602 562 H ILE 576 H ILE 576 10.408 12.283 10.445 563 HA ILE 576 HA ILE 576 11.886 12.004 12.959 564 HB ILE 576 HB ILE 576 12.885 13.087 10.287 565 1HG1 ILE 576 1HG1 ILE 576 12.214 10.734 10.048 566 2HG1 ILE 576 2HG1 ILE 576 13.947 10.880 9.896 567 1HG2 ILE 576 1HG2 ILE 576 14.190 13.809 12.238 568 2HG2 ILE 576 2HG2 ILE 576 15.116 12.716 11.208 569 3HG2 ILE 576 3HG2 ILE 576 14.410 12.122 12.710 570 1HD1 ILE 576 1HD1 ILE 576 12.414 9.942 12.289 571 2HD1 ILE 576 2HD1 ILE 576 14.169 10.130 12.215 572 3HD1 ILE 576 3HD1 ILE 576 13.354 8.950 11.165 573 H ASP 577 H ASP 577 12.818 14.025 13.782 574 HA ASP 577 HA ASP 577 10.906 16.140 13.735 575 1HB ASP 577 1HB ASP 577 12.419 17.389 15.221 576 2HB ASP 577 2HB ASP 577 12.258 15.731 15.772 577 H ASP 578 H ASP 578 10.779 17.872 12.538 578 HA ASP 578 HA ASP 578 12.297 17.802 10.108 579 1HB ASP 578 1HB ASP 578 9.774 18.343 10.444 580 2HB ASP 578 2HB ASP 578 10.362 19.956 10.836 581 H GLU 579 H GLU 579 13.915 19.030 9.529 582 HA GLU 579 HA GLU 579 15.044 20.792 11.513 583 1HB GLU 579 1HB GLU 579 17.109 20.647 10.208 584 2HB GLU 579 2HB GLU 579 16.490 19.068 10.648 585 1HG GLU 579 1HG GLU 579 16.061 20.298 7.925 586 2HG GLU 579 2HG GLU 579 17.463 19.323 8.325 587 H GLU 580 H GLU 580 13.710 21.095 8.223 588 HA GLU 580 HA GLU 580 14.517 23.914 8.330 589 1HB GLU 580 1HB GLU 580 14.794 23.983 5.932 590 2HB GLU 580 2HB GLU 580 15.753 22.661 6.557 591 1HG GLU 580 1HG GLU 580 13.050 22.316 5.244 592 2HG GLU 580 2HG GLU 580 14.572 22.234 4.380 593 H TYR 581 H TYR 581 13.081 25.163 6.527 594 HA TYR 581 HA TYR 581 10.375 24.981 7.435 595 1HB TYR 581 1HB TYR 581 9.896 26.871 6.083 596 2HB TYR 581 2HB TYR 581 11.586 27.109 6.486 597 HD1 TYR 581 HD1 TYR 581 9.164 26.545 3.801 598 HD2 TYR 581 HD2 TYR 581 13.331 26.698 4.721 599 HE1 TYR 581 HE1 TYR 581 9.672 26.748 1.424 600 HE2 TYR 581 HE2 TYR 581 13.843 26.901 2.316 601 HH TYR 581 HH TYR 581 12.719 26.252 0.163 602 H GLU 582 H GLU 582 8.544 24.366 5.997 603 HA GLU 582 HA GLU 582 9.429 22.702 3.814 604 1HB GLU 582 1HB GLU 582 9.618 21.352 5.816 605 2HB GLU 582 2HB GLU 582 7.944 21.679 6.205 606 1HG GLU 582 1HG GLU 582 7.224 20.447 4.271 607 2HG GLU 582 2HG GLU 582 8.905 20.190 3.784 608 H LYS 583 H LYS 583 7.973 22.430 2.296 609 HA LYS 583 HA LYS 583 5.428 23.828 2.533 610 1HB LYS 583 1HB LYS 583 6.792 22.550 0.143 611 2HB LYS 583 2HB LYS 583 5.288 23.454 0.084 612 1HG LYS 583 1HG LYS 583 6.452 25.473 0.773 613 2HG LYS 583 2HG LYS 583 7.964 24.568 0.892 614 1HD LYS 583 1HD LYS 583 7.851 24.064 -1.497 615 2HD LYS 583 2HD LYS 583 6.336 24.962 -1.617 616 1HE LYS 583 1HE LYS 583 7.470 27.000 -0.948 617 2HE LYS 583 2HE LYS 583 8.978 26.113 -0.739 618 1HZ LYS 583 1HZ LYS 583 8.963 27.254 -2.837 619 2HZ LYS 583 2HZ LYS 583 7.521 26.522 -3.295 620 3HZ LYS 583 3HZ LYS 583 8.909 25.596 -3.131 621 H ASN 584 H ASN 584 3.689 22.376 1.133 622 HA ASN 584 HA ASN 584 3.459 19.975 2.680 623 1HB ASN 584 1HB ASN 584 1.806 21.047 0.405 624 2HB ASN 584 2HB ASN 584 1.408 19.555 1.256 625 1HD2 ASN 584 1HD2 ASN 584 2.247 20.784 3.892 626 2HD2 ASN 584 2HD2 ASN 584 0.953 21.845 4.274 627 H LYS 585 H LYS 585 5.059 18.648 2.214 628 HA LYS 585 HA LYS 585 5.358 17.846 -0.571 629 1HB LYS 585 1HB LYS 585 7.574 16.967 0.017 630 2HB LYS 585 2HB LYS 585 7.441 18.650 0.452 631 1HG LYS 585 1HG LYS 585 8.690 17.542 2.138 632 2HG LYS 585 2HG LYS 585 7.102 17.868 2.862 633 1HD LYS 585 1HD LYS 585 6.512 15.552 2.437 634 2HD LYS 585 2HD LYS 585 8.058 15.292 1.638 635 1HE LYS 585 1HE LYS 585 7.562 15.909 4.548 636 2HE LYS 585 2HE LYS 585 8.232 14.428 3.862 637 1HZ LYS 585 1HZ LYS 585 9.438 17.065 4.179 638 2HZ LYS 585 2HZ LYS 585 10.065 16.112 2.985 639 3HZ LYS 585 3HZ LYS 585 10.125 15.607 4.604 640 H THR 586 H THR 586 6.009 15.414 -0.769 641 HA THR 586 HA THR 586 4.641 13.757 1.104 642 HB THR 586 HB THR 586 2.696 14.447 -0.078 643 HG1 THR 586 HG1 THR 586 2.769 12.292 0.200 644 1HG2 THR 586 1HG2 THR 586 4.110 13.908 -2.687 645 2HG2 THR 586 2HG2 THR 586 3.719 15.497 -1.997 646 3HG2 THR 586 3HG2 THR 586 2.419 14.407 -2.472 647 H PHE 587 H PHE 587 4.956 11.729 0.935 648 HA PHE 587 HA PHE 587 6.782 10.796 -1.057 649 1HB PHE 587 1HB PHE 587 7.779 9.292 0.811 650 2HB PHE 587 2HB PHE 587 8.339 10.941 0.680 651 HD1 PHE 587 HD1 PHE 587 5.892 8.848 2.569 652 HD2 PHE 587 HD2 PHE 587 8.404 12.246 2.521 653 HE1 PHE 587 HE1 PHE 587 5.537 9.171 5.037 654 HE2 PHE 587 HE2 PHE 587 8.072 12.552 4.942 655 HZ PHE 587 HZ PHE 587 6.632 10.999 6.183 656 H PHE 588 H PHE 588 6.589 8.515 -1.375 657 HA PHE 588 HA PHE 588 3.719 7.896 -1.069 658 1HB PHE 588 1HB PHE 588 5.487 6.833 -3.257 659 2HB PHE 588 2HB PHE 588 3.732 6.955 -3.210 660 HD1 PHE 588 HD1 PHE 588 2.820 9.433 -2.941 661 HD2 PHE 588 HD2 PHE 588 6.636 8.383 -4.473 662 HE1 PHE 588 HE1 PHE 588 2.966 11.619 -4.058 663 HE2 PHE 588 HE2 PHE 588 6.793 10.566 -5.600 664 HZ PHE 588 HZ PHE 588 4.954 12.187 -5.389 665 H LEU 589 H LEU 589 3.150 6.042 -0.229 666 HA LEU 589 HA LEU 589 5.267 4.125 0.456 667 1HB LEU 589 1HB LEU 589 3.400 5.153 2.107 668 2HB LEU 589 2HB LEU 589 2.444 3.869 1.402 669 HG LEU 589 HG LEU 589 3.310 3.164 3.523 670 1HD1 LEU 589 1HD1 LEU 589 4.543 1.128 2.909 671 2HD1 LEU 589 2HD1 LEU 589 4.678 1.742 1.260 672 3HD1 LEU 589 3HD1 LEU 589 3.092 1.394 1.948 673 1HD2 LEU 589 1HD2 LEU 589 5.737 2.944 3.908 674 2HD2 LEU 589 2HD2 LEU 589 5.181 4.601 3.702 675 3HD2 LEU 589 3HD2 LEU 589 6.013 3.784 2.381 676 H GLU 590 H GLU 590 5.299 2.256 -0.670 677 HA GLU 590 HA GLU 590 2.885 1.504 -2.138 678 1HB GLU 590 1HB GLU 590 4.493 2.668 -3.658 679 2HB GLU 590 2HB GLU 590 5.693 1.452 -3.264 680 1HG GLU 590 1HG GLU 590 4.301 -0.270 -4.272 681 2HG GLU 590 2HG GLU 590 3.063 0.931 -4.635 682 H ILE 591 H ILE 591 2.333 -0.479 -1.758 683 HA ILE 591 HA ILE 591 4.238 -2.294 -0.534 684 HB ILE 591 HB ILE 591 2.216 -3.792 -0.209 685 1HG1 ILE 591 1HG1 ILE 591 0.701 -1.319 -1.090 686 2HG1 ILE 591 2HG1 ILE 591 0.772 -2.852 -1.946 687 1HG2 ILE 591 1HG2 ILE 591 1.269 -2.483 1.667 688 2HG2 ILE 591 2HG2 ILE 591 2.203 -1.087 1.114 689 3HG2 ILE 591 3HG2 ILE 591 3.025 -2.554 1.644 690 1HD1 ILE 591 1HD1 ILE 591 -0.462 -2.387 0.755 691 2HD1 ILE 591 2HD1 ILE 591 -0.405 -3.932 -0.099 692 3HD1 ILE 591 3HD1 ILE 591 -1.332 -2.582 -0.766 693 H GLY 592 H GLY 592 4.786 -4.196 -1.477 694 1HA GLY 592 1HA GLY 592 4.541 -4.041 -4.381 695 2HA GLY 592 2HA GLY 592 5.825 -4.842 -3.501 696 H GLU 593 H GLU 593 5.743 -6.703 -4.439 697 HA GLU 593 HA GLU 593 3.302 -8.097 -5.064 698 1HB GLU 593 1HB GLU 593 5.271 -7.906 -6.567 699 2HB GLU 593 2HB GLU 593 6.192 -8.810 -5.386 700 1HG GLU 593 1HG GLU 593 4.707 -10.739 -5.757 701 2HG GLU 593 2HG GLU 593 3.886 -9.804 -7.016 702 HA PRO 594 HA PRO 594 3.593 -10.159 -1.080 703 1HB PRO 594 1HB PRO 594 1.345 -11.656 -1.341 704 2HB PRO 594 2HB PRO 594 1.330 -9.944 -0.919 705 1HG PRO 594 1HG PRO 594 0.792 -11.250 -3.528 706 2HG PRO 594 2HG PRO 594 0.027 -9.832 -2.805 707 1HD PRO 594 1HD PRO 594 1.928 -9.743 -4.768 708 2HD PRO 594 2HD PRO 594 1.609 -8.423 -3.624 709 H ARG 595 H ARG 595 3.887 -12.220 -0.223 710 HA ARG 595 HA ARG 595 5.027 -14.219 -2.109 711 1HB ARG 595 1HB ARG 595 5.597 -13.930 0.811 712 2HB ARG 595 2HB ARG 595 6.494 -14.809 -0.397 713 1HG ARG 595 1HG ARG 595 6.296 -11.847 -0.622 714 2HG ARG 595 2HG ARG 595 7.397 -12.543 0.556 715 1HD ARG 595 1HD ARG 595 8.592 -12.096 -1.410 716 2HD ARG 595 2HD ARG 595 8.419 -13.833 -1.226 717 HE ARG 595 HE ARG 595 6.871 -13.865 -3.031 718 1HH1 ARG 595 1HH1 ARG 595 8.284 -10.642 -2.550 719 2HH1 ARG 595 2HH1 ARG 595 7.959 -10.140 -4.149 720 1HH2 ARG 595 1HH2 ARG 595 6.474 -13.161 -5.224 721 2HH2 ARG 595 2HH2 ARG 595 6.930 -11.611 -5.712 722 H LEU 596 H LEU 596 3.500 -15.998 -2.142 723 HA LEU 596 HA LEU 596 2.145 -16.660 0.331 724 1HB LEU 596 1HB LEU 596 1.598 -17.302 -2.281 725 2HB LEU 596 2HB LEU 596 2.448 -18.743 -1.763 726 HG LEU 596 HG LEU 596 0.261 -19.334 -1.393 727 1HD1 LEU 596 1HD1 LEU 596 -0.215 -19.366 1.008 728 2HD1 LEU 596 2HD1 LEU 596 0.989 -18.117 1.257 729 3HD1 LEU 596 3HD1 LEU 596 1.489 -19.706 0.684 730 1HD2 LEU 596 1HD2 LEU 596 -0.816 -17.320 -1.971 731 2HD2 LEU 596 2HD2 LEU 596 -0.167 -16.507 -0.571 732 3HD2 LEU 596 3HD2 LEU 596 -1.425 -17.747 -0.358 733 H VAL 597 H VAL 597 3.229 -17.725 1.914 734 HA VAL 597 HA VAL 597 5.921 -18.557 1.277 735 HB VAL 597 HB VAL 597 4.577 -18.657 3.895 736 1HG1 VAL 597 1HG1 VAL 597 7.532 -18.511 3.179 737 2HG1 VAL 597 2HG1 VAL 597 6.685 -19.901 3.855 738 3HG1 VAL 597 3HG1 VAL 597 6.925 -18.452 4.838 739 1HG2 VAL 597 1HG2 VAL 597 4.401 -16.386 3.126 740 2HG2 VAL 597 2HG2 VAL 597 6.116 -16.343 2.717 741 3HG2 VAL 597 3HG2 VAL 597 5.614 -16.427 4.405 742 H GLU 598 H GLU 598 4.569 -20.122 0.076 743 HA GLU 598 HA GLU 598 4.694 -22.305 -0.713 744 1HB GLU 598 1HB GLU 598 6.437 -22.684 1.679 745 2HB GLU 598 2HB GLU 598 6.228 -23.868 0.399 746 1HG GLU 598 1HG GLU 598 7.181 -22.351 -1.209 747 2HG GLU 598 2HG GLU 598 7.273 -21.075 0.009 748 H MET 599 H MET 599 3.674 -22.134 2.550 749 HA MET 599 HA MET 599 2.985 -24.694 3.208 750 1HB MET 599 1HB MET 599 2.849 -22.933 4.823 751 2HB MET 599 2HB MET 599 1.541 -22.162 3.947 752 1HG MET 599 1HG MET 599 0.737 -23.323 5.937 753 2HG MET 599 2HG MET 599 0.055 -24.002 4.465 754 1HE MET 599 1HE MET 599 3.393 -26.025 6.955 755 2HE MET 599 2HE MET 599 2.675 -24.460 7.350 756 3HE MET 599 3HE MET 599 3.700 -24.630 5.925 757 H SER 600 H SER 600 0.503 -22.461 1.870 758 HA SER 600 HA SER 600 -0.824 -24.785 0.745 759 1HB SER 600 1HB SER 600 -2.939 -23.702 1.615 760 2HB SER 600 2HB SER 600 -1.871 -24.410 2.841 761 HG SER 600 HG SER 600 -2.399 -21.713 2.275 762 H GLU 601 H GLU 601 -2.609 -23.964 -0.752 763 HA GLU 601 HA GLU 601 -3.444 -22.712 -2.436 764 1HB GLU 601 1HB GLU 601 -2.280 -20.466 -0.803 765 2HB GLU 601 2HB GLU 601 -3.400 -20.242 -2.140 766 1HG GLU 601 1HG GLU 601 -5.113 -21.442 -0.977 767 2HG GLU 601 2HG GLU 601 -3.990 -21.871 0.309 768 H LYS 602 H LYS 602 -0.789 -23.758 -2.596 769 HA LYS 602 HA LYS 602 0.622 -21.810 -4.218 770 1HB LYS 602 1HB LYS 602 2.512 -23.562 -4.108 771 2HB LYS 602 2HB LYS 602 2.117 -22.677 -2.651 772 1HG LYS 602 1HG LYS 602 2.502 -24.911 -1.993 773 2HG LYS 602 2HG LYS 602 0.762 -24.690 -1.934 774 1HD LYS 602 1HD LYS 602 0.550 -25.823 -4.100 775 2HD LYS 602 2HD LYS 602 2.305 -26.004 -4.159 776 1HE LYS 602 1HE LYS 602 2.205 -27.337 -2.075 777 2HE LYS 602 2HE LYS 602 0.453 -27.212 -2.107 778 1HZ LYS 602 1HZ LYS 602 0.440 -28.392 -4.215 779 2HZ LYS 602 2HZ LYS 602 1.264 -29.318 -3.056 780 3HZ LYS 602 3HZ LYS 602 2.115 -28.468 -4.213 781 H LYS 603 H LYS 603 -1.704 -22.914 -5.173 782 HA LYS 603 HA LYS 603 -0.958 -24.779 -7.271 783 1HB LYS 603 1HB LYS 603 -3.627 -23.557 -6.560 784 2HB LYS 603 2HB LYS 603 -3.361 -24.675 -7.889 785 1HG LYS 603 1HG LYS 603 -2.757 -26.427 -6.379 786 2HG LYS 603 2HG LYS 603 -2.788 -25.317 -5.014 787 1HD LYS 603 1HD LYS 603 -4.787 -26.680 -4.987 788 2HD LYS 603 2HD LYS 603 -5.221 -25.018 -5.337 789 1HE LYS 603 1HE LYS 603 -4.909 -27.135 -7.477 790 2HE LYS 603 2HE LYS 603 -6.424 -26.829 -6.649 791 1HZ LYS 603 1HZ LYS 603 -6.421 -25.692 -8.714 792 2HZ LYS 603 2HZ LYS 603 -4.957 -24.981 -8.466 793 3HZ LYS 603 3HZ LYS 603 -6.300 -24.494 -7.539 794 H GLY 604 H GLY 604 0.478 -23.354 -8.286 795 1HA GLY 604 1HA GLY 604 -0.838 -21.773 -10.353 796 2HA GLY 604 2HA GLY 604 0.354 -20.938 -9.354 797 H GLY 605 H GLY 605 2.282 -22.596 -8.955 798 1HA GLY 605 1HA GLY 605 3.172 -23.539 -11.594 799 2HA GLY 605 2HA GLY 605 4.240 -22.869 -10.357 800 H PHE 606 H PHE 606 2.056 -25.508 -11.040 801 HA PHE 606 HA PHE 606 2.666 -26.990 -8.679 802 1HB PHE 606 1HB PHE 606 0.509 -27.146 -9.914 803 2HB PHE 606 2HB PHE 606 1.351 -27.920 -11.242 804 HD1 PHE 606 HD1 PHE 606 1.736 -30.250 -11.232 805 HD2 PHE 606 HD2 PHE 606 0.399 -28.304 -7.690 806 HE1 PHE 606 HE1 PHE 606 1.325 -32.436 -10.190 807 HE2 PHE 606 HE2 PHE 606 -0.010 -30.493 -6.643 808 HZ PHE 606 HZ PHE 606 0.451 -32.556 -7.888 809 H THR 607 H THR 607 4.085 -26.803 -11.836 810 HA THR 607 HA THR 607 5.405 -29.269 -11.907 811 HB THR 607 HB THR 607 6.813 -27.748 -13.520 812 HG1 THR 607 HG1 THR 607 5.930 -25.747 -13.626 813 1HG2 THR 607 1HG2 THR 607 5.359 -29.646 -14.156 814 2HG2 THR 607 2HG2 THR 607 5.177 -28.299 -15.270 815 3HG2 THR 607 3HG2 THR 607 3.949 -28.592 -14.036 816 H ILE 608 H ILE 608 7.282 -29.931 -11.056 817 HA ILE 608 HA ILE 608 8.505 -28.302 -9.037 818 HB ILE 608 HB ILE 608 9.303 -31.030 -9.990 819 1HG1 ILE 608 1HG1 ILE 608 6.998 -30.997 -9.171 820 2HG1 ILE 608 2HG1 ILE 608 8.036 -31.916 -8.090 821 1HG2 ILE 608 1HG2 ILE 608 11.096 -29.939 -8.718 822 2HG2 ILE 608 2HG2 ILE 608 10.405 -31.251 -7.762 823 3HG2 ILE 608 3HG2 ILE 608 9.971 -29.579 -7.409 824 1HD1 ILE 608 1HD1 ILE 608 8.138 -29.955 -6.595 825 2HD1 ILE 608 2HD1 ILE 608 6.515 -30.593 -6.810 826 3HD1 ILE 608 3HD1 ILE 608 6.997 -29.120 -7.656 827 H THR 609 H THR 609 9.188 -26.745 -10.469 828 HA THR 609 HA THR 609 12.018 -27.114 -11.130 829 HB THR 609 HB THR 609 10.791 -27.401 -13.239 830 HG1 THR 609 HG1 THR 609 12.754 -26.405 -13.454 831 1HG2 THR 609 1HG2 THR 609 8.783 -26.128 -12.719 832 2HG2 THR 609 2HG2 THR 609 9.492 -25.558 -14.233 833 3HG2 THR 609 3HG2 THR 609 9.709 -24.627 -12.749 834 H GLU 610 H GLU 610 10.074 -25.836 -9.195 835 HA GLU 610 HA GLU 610 9.332 -23.922 -8.338 836 1HB GLU 610 1HB GLU 610 11.022 -22.506 -7.288 837 2HB GLU 610 2HB GLU 610 11.335 -24.207 -7.007 838 1HG GLU 610 1HG GLU 610 13.200 -24.186 -8.423 839 2HG GLU 610 2HG GLU 610 12.724 -22.654 -9.159 840 H GLU 611 H GLU 611 8.181 -23.198 -10.072 841 HA GLU 611 HA GLU 611 9.543 -21.140 -11.554 842 1HB GLU 611 1HB GLU 611 7.485 -21.154 -12.988 843 2HB GLU 611 2HB GLU 611 8.582 -22.540 -13.047 844 1HG GLU 611 1HG GLU 611 7.053 -23.830 -11.722 845 2HG GLU 611 2HG GLU 611 5.993 -22.427 -11.537 846 H TYR 612 H TYR 612 8.725 -20.885 -8.941 847 HA TYR 612 HA TYR 612 6.944 -18.637 -9.139 848 1HB TYR 612 1HB TYR 612 8.234 -20.001 -6.800 849 2HB TYR 612 2HB TYR 612 7.381 -18.452 -6.607 850 HD1 TYR 612 HD1 TYR 612 4.995 -18.316 -7.050 851 HD2 TYR 612 HD2 TYR 612 7.017 -22.043 -7.213 852 HE1 TYR 612 HE1 TYR 612 2.832 -19.475 -7.083 853 HE2 TYR 612 HE2 TYR 612 4.852 -23.219 -7.232 854 HH TYR 612 HH TYR 612 2.498 -22.792 -6.593 855 H ASP 613 H ASP 613 7.978 -17.509 -10.462 856 HA ASP 613 HA ASP 613 10.720 -16.656 -10.189 857 1HB ASP 613 1HB ASP 613 10.337 -15.757 -12.415 858 2HB ASP 613 2HB ASP 613 9.788 -17.428 -12.326 859 H ASP 614 H ASP 614 7.962 -15.708 -8.834 860 HA ASP 614 HA ASP 614 7.879 -12.968 -9.518 861 1HB ASP 614 1HB ASP 614 6.188 -12.873 -7.627 862 2HB ASP 614 2HB ASP 614 5.798 -13.947 -8.960 863 H LYS 615 H LYS 615 9.714 -11.952 -9.090 864 HA LYS 615 HA LYS 615 10.086 -11.132 -6.309 865 1HB LYS 615 1HB LYS 615 12.400 -11.940 -8.119 866 2HB LYS 615 2HB LYS 615 12.571 -11.180 -6.550 867 1HG LYS 615 1HG LYS 615 11.528 -13.201 -5.531 868 2HG LYS 615 2HG LYS 615 11.514 -13.947 -7.123 869 1HD LYS 615 1HD LYS 615 13.459 -14.809 -6.183 870 2HD LYS 615 2HD LYS 615 14.059 -13.449 -7.119 871 1HE LYS 615 1HE LYS 615 13.556 -13.475 -4.127 872 2HE LYS 615 2HE LYS 615 15.119 -13.584 -4.907 873 1HZ LYS 615 1HZ LYS 615 13.303 -11.228 -4.911 874 2HZ LYS 615 2HZ LYS 615 14.721 -11.317 -5.805 875 3HZ LYS 615 3HZ LYS 615 14.780 -11.363 -4.133 876 H GLN 616 H GLN 616 8.970 -10.177 -8.935 877 HA GLN 616 HA GLN 616 10.709 -7.910 -9.573 878 1HB GLN 616 1HB GLN 616 8.604 -9.383 -11.150 879 2HB GLN 616 2HB GLN 616 9.317 -7.900 -11.720 880 1HG GLN 616 1HG GLN 616 10.497 -9.526 -12.868 881 2HG GLN 616 2HG GLN 616 11.523 -9.167 -11.468 882 1HE2 GLN 616 1HE2 GLN 616 9.340 -11.469 -12.863 883 2HE2 GLN 616 2HE2 GLN 616 9.850 -12.807 -11.877 884 HA PRO 617 HA PRO 617 7.234 -5.185 -8.463 885 1HB PRO 617 1HB PRO 617 7.014 -3.535 -10.642 886 2HB PRO 617 2HB PRO 617 8.250 -3.317 -9.396 887 1HG PRO 617 1HG PRO 617 8.463 -4.619 -12.080 888 2HG PRO 617 2HG PRO 617 9.609 -3.532 -11.273 889 1HD PRO 617 1HD PRO 617 9.998 -6.177 -11.333 890 2HD PRO 617 2HD PRO 617 10.444 -5.227 -9.918 891 H LEU 618 H LEU 618 5.050 -4.516 -9.330 892 HA LEU 618 HA LEU 618 3.859 -6.877 -10.442 893 1HB LEU 618 1HB LEU 618 2.653 -4.302 -9.465 894 2HB LEU 618 2HB LEU 618 1.696 -5.590 -10.156 895 HG LEU 618 HG LEU 618 1.491 -5.662 -7.787 896 1HD1 LEU 618 1HD1 LEU 618 2.236 -7.910 -7.259 897 2HD1 LEU 618 2HD1 LEU 618 3.296 -7.895 -8.664 898 3HD1 LEU 618 3HD1 LEU 618 1.546 -7.811 -8.880 899 1HD2 LEU 618 1HD2 LEU 618 3.511 -4.459 -7.159 900 2HD2 LEU 618 2HD2 LEU 618 4.495 -5.845 -7.627 901 3HD2 LEU 618 3HD2 LEU 618 3.382 -5.973 -6.265 902 H THR 619 H THR 619 4.063 -7.179 -12.558 903 HA THR 619 HA THR 619 2.558 -5.547 -14.262 904 HB THR 619 HB THR 619 4.597 -4.172 -14.309 905 HG1 THR 619 HG1 THR 619 5.073 -4.509 -16.641 906 1HG2 THR 619 1HG2 THR 619 6.266 -5.867 -13.724 907 2HG2 THR 619 2HG2 THR 619 6.715 -5.063 -15.228 908 3HG2 THR 619 3HG2 THR 619 6.004 -6.677 -15.269 909 H SER 620 H SER 620 2.453 -6.452 -16.349 910 HA SER 620 HA SER 620 3.374 -9.232 -16.632 911 1HB SER 620 1HB SER 620 1.052 -9.861 -17.296 912 2HB SER 620 2HB SER 620 1.307 -9.535 -15.581 913 HG SER 620 HG SER 620 0.560 -7.286 -16.244 914 H LYS 621 H LYS 621 2.846 -6.166 -17.920 915 HA LYS 621 HA LYS 621 2.666 -5.254 -19.981 916 1HB LYS 621 1HB LYS 621 3.564 -7.991 -20.967 917 2HB LYS 621 2HB LYS 621 3.575 -6.518 -21.921 918 1HG LYS 621 1HG LYS 621 5.285 -5.567 -20.450 919 2HG LYS 621 2HG LYS 621 5.248 -7.025 -19.459 920 1HD LYS 621 1HD LYS 621 6.012 -6.930 -22.384 921 2HD LYS 621 2HD LYS 621 7.156 -6.949 -21.048 922 1HE LYS 621 1HE LYS 621 5.145 -9.135 -21.654 923 2HE LYS 621 2HE LYS 621 6.848 -9.161 -22.087 924 1HZ LYS 621 1HZ LYS 621 6.468 -10.420 -20.086 925 2HZ LYS 621 2HZ LYS 621 5.779 -9.117 -19.296 926 3HZ LYS 621 3HZ LYS 621 7.402 -9.080 -19.721 927 H GLU 622 H GLU 622 0.586 -6.784 -18.636 928 HA GLU 622 HA GLU 622 -1.488 -7.511 -18.733 929 1HB GLU 622 1HB GLU 622 -1.719 -5.459 -20.265 930 2HB GLU 622 2HB GLU 622 -1.666 -6.586 -21.612 931 1HG GLU 622 1HG GLU 622 -3.630 -7.769 -20.575 932 2HG GLU 622 2HG GLU 622 -3.723 -6.445 -19.425 933 H GLU 623 H GLU 623 0.802 -9.168 -19.715 934 HA GLU 623 HA GLU 623 -0.286 -10.996 -21.577 935 1HB GLU 623 1HB GLU 623 2.099 -10.855 -21.431 936 2HB GLU 623 2HB GLU 623 2.078 -11.163 -19.708 937 1HG GLU 623 1HG GLU 623 2.895 -13.064 -21.067 938 2HG GLU 623 2HG GLU 623 1.511 -13.446 -20.050 939 H GLU 624 H GLU 624 -1.586 -12.511 -21.337 940 HA GLU 624 HA GLU 624 -3.124 -12.892 -19.064 941 1HB GLU 624 1HB GLU 624 -3.963 -13.164 -21.314 942 2HB GLU 624 2HB GLU 624 -2.887 -14.524 -21.578 943 1HG GLU 624 1HG GLU 624 -4.077 -15.826 -19.942 944 2HG GLU 624 2HG GLU 624 -5.103 -14.445 -19.553 945 H GLU 625 H GLU 625 -0.407 -14.816 -20.392 946 HA GLU 625 HA GLU 625 -0.955 -16.904 -18.579 947 1HB GLU 625 1HB GLU 625 1.199 -17.952 -19.136 948 2HB GLU 625 2HB GLU 625 0.315 -17.475 -20.562 949 1HG GLU 625 1HG GLU 625 2.597 -17.063 -20.962 950 2HG GLU 625 2HG GLU 625 1.842 -15.493 -20.730 951 H ARG 626 H ARG 626 0.821 -13.979 -18.103 952 HA ARG 626 HA ARG 626 2.001 -14.787 -15.654 953 1HB ARG 626 1HB ARG 626 2.548 -12.720 -17.130 954 2HB ARG 626 2HB ARG 626 1.141 -11.980 -16.405 955 1HG ARG 626 1HG ARG 626 3.554 -12.924 -14.837 956 2HG ARG 626 2HG ARG 626 3.334 -11.284 -15.418 957 1HD ARG 626 1HD ARG 626 1.589 -12.736 -13.420 958 2HD ARG 626 2HD ARG 626 2.755 -11.469 -13.054 959 HE ARG 626 HE ARG 626 0.522 -10.888 -14.850 960 1HH1 ARG 626 1HH1 ARG 626 1.891 -10.431 -11.592 961 2HH1 ARG 626 2HH1 ARG 626 1.066 -8.993 -11.291 962 1HH2 ARG 626 1HH2 ARG 626 -0.675 -8.829 -14.368 963 2HH2 ARG 626 2HH2 ARG 626 -0.384 -8.102 -12.874 964 H ARG 627 H ARG 627 -1.044 -13.319 -16.663 965 HA ARG 627 HA ARG 627 -2.098 -12.796 -14.081 966 1HB ARG 627 1HB ARG 627 -3.598 -13.271 -16.668 967 2HB ARG 627 2HB ARG 627 -4.280 -12.574 -15.207 968 1HG ARG 627 1HG ARG 627 -2.748 -10.664 -15.416 969 2HG ARG 627 2HG ARG 627 -2.094 -11.367 -16.894 970 1HD ARG 627 1HD ARG 627 -3.727 -9.670 -17.459 971 2HD ARG 627 2HD ARG 627 -4.340 -11.257 -17.913 972 HE ARG 627 HE ARG 627 -5.126 -10.241 -15.317 973 1HH1 ARG 627 1HH1 ARG 627 -6.053 -10.653 -18.731 974 2HH1 ARG 627 2HH1 ARG 627 -7.716 -10.468 -18.417 975 1HH2 ARG 627 1HH2 ARG 627 -7.464 -9.944 -14.960 976 2HH2 ARG 627 2HH2 ARG 627 -8.501 -10.076 -16.316 977 H ILE 628 H ILE 628 -2.270 -15.610 -16.211 978 HA ILE 628 HA ILE 628 -4.033 -17.163 -14.690 979 HB ILE 628 HB ILE 628 -1.768 -17.968 -16.537 980 1HG1 ILE 628 1HG1 ILE 628 -4.750 -17.872 -17.021 981 2HG1 ILE 628 2HG1 ILE 628 -3.617 -16.620 -17.520 982 1HG2 ILE 628 1HG2 ILE 628 -2.282 -19.803 -15.047 983 2HG2 ILE 628 2HG2 ILE 628 -2.861 -20.169 -16.678 984 3HG2 ILE 628 3HG2 ILE 628 -3.999 -19.662 -15.423 985 1HD1 ILE 628 1HD1 ILE 628 -2.493 -18.211 -18.950 986 2HD1 ILE 628 2HD1 ILE 628 -4.204 -18.077 -19.364 987 3HD1 ILE 628 3HD1 ILE 628 -3.617 -19.479 -18.457 988 H ALA 629 H ALA 629 -0.566 -16.694 -14.475 989 HA ALA 629 HA ALA 629 -0.107 -18.681 -12.490 990 1HB ALA 629 1HB ALA 629 1.669 -17.739 -13.906 991 2HB ALA 629 2HB ALA 629 2.062 -17.630 -12.188 992 3HB ALA 629 3HB ALA 629 1.510 -16.198 -13.066 993 H GLU 630 H GLU 630 -1.095 -15.365 -12.443 994 HA GLU 630 HA GLU 630 -0.748 -14.975 -9.626 995 1HB GLU 630 1HB GLU 630 -2.474 -13.334 -11.468 996 2HB GLU 630 2HB GLU 630 -1.784 -12.847 -9.932 997 1HG GLU 630 1HG GLU 630 -0.376 -13.316 -12.528 998 2HG GLU 630 2HG GLU 630 -0.608 -11.785 -11.698 999 H MET 631 H MET 631 -2.936 -16.844 -11.314 1000 HA MET 631 HA MET 631 -5.311 -16.221 -9.915 1001 1HB MET 631 1HB MET 631 -5.202 -17.275 -12.151 1002 2HB MET 631 2HB MET 631 -4.418 -18.674 -11.437 1003 1HG MET 631 1HG MET 631 -6.355 -19.019 -10.057 1004 2HG MET 631 2HG MET 631 -7.144 -17.656 -10.876 1005 1HE MET 631 1HE MET 631 -5.967 -18.165 -13.904 1006 2HE MET 631 2HE MET 631 -7.609 -17.640 -13.543 1007 3HE MET 631 3HE MET 631 -7.339 -19.028 -14.597 1008 H GLY 632 H GLY 632 -2.465 -18.121 -9.534 1009 1HA GLY 632 1HA GLY 632 -3.520 -19.487 -7.182 1010 2HA GLY 632 2HA GLY 632 -1.988 -19.826 -7.987 1011 H ARG 633 H ARG 633 -0.895 -17.309 -8.189 1012 HA ARG 633 HA ARG 633 0.099 -16.956 -5.581 1013 1HB ARG 633 1HB ARG 633 0.461 -15.342 -8.089 1014 2HB ARG 633 2HB ARG 633 1.324 -15.025 -6.596 1015 1HG ARG 633 1HG ARG 633 2.163 -17.385 -6.703 1016 2HG ARG 633 2HG ARG 633 1.499 -17.463 -8.335 1017 1HD ARG 633 1HD ARG 633 3.331 -15.300 -7.476 1018 2HD ARG 633 2HD ARG 633 3.975 -16.855 -8.052 1019 HE ARG 633 HE ARG 633 2.227 -15.147 -9.721 1020 1HH1 ARG 633 1HH1 ARG 633 5.463 -16.535 -9.193 1021 2HH1 ARG 633 2HH1 ARG 633 5.948 -16.317 -10.827 1022 1HH2 ARG 633 1HH2 ARG 633 2.891 -14.788 -11.733 1023 2HH2 ARG 633 2HH2 ARG 633 4.433 -15.287 -12.377 1024 HA PRO 634 HA PRO 634 -2.527 -13.656 -4.193 1025 1HB PRO 634 1HB PRO 634 -0.910 -12.497 -2.357 1026 2HB PRO 634 2HB PRO 634 -1.674 -14.063 -2.061 1027 1HG PRO 634 1HG PRO 634 1.128 -13.447 -2.886 1028 2HG PRO 634 2HG PRO 634 0.539 -14.685 -1.766 1029 1HD PRO 634 1HD PRO 634 1.254 -15.169 -4.377 1030 2HD PRO 634 2HD PRO 634 0.122 -16.173 -3.456 1031 H ILE 635 H ILE 635 -2.758 -11.363 -4.600 1032 HA ILE 635 HA ILE 635 -0.467 -10.077 -5.876 1033 HB ILE 635 HB ILE 635 -2.040 -9.108 -7.566 1034 1HG1 ILE 635 1HG1 ILE 635 -3.879 -11.371 -6.928 1035 2HG1 ILE 635 2HG1 ILE 635 -4.043 -9.829 -6.095 1036 1HG2 ILE 635 1HG2 ILE 635 -0.517 -10.897 -8.188 1037 2HG2 ILE 635 2HG2 ILE 635 -2.053 -11.026 -9.044 1038 3HG2 ILE 635 3HG2 ILE 635 -1.712 -12.095 -7.680 1039 1HD1 ILE 635 1HD1 ILE 635 -4.326 -8.720 -8.139 1040 2HD1 ILE 635 2HD1 ILE 635 -5.531 -10.012 -7.989 1041 3HD1 ILE 635 3HD1 ILE 635 -4.126 -10.209 -9.071 1042 H LEU 636 H LEU 636 -1.542 -7.768 -6.551 1043 HA LEU 636 HA LEU 636 -2.351 -6.705 -4.024 1044 1HB LEU 636 1HB LEU 636 -1.756 -4.522 -4.821 1045 2HB LEU 636 2HB LEU 636 -0.447 -5.617 -5.167 1046 HG LEU 636 HG LEU 636 -0.494 -4.203 -6.980 1047 1HD1 LEU 636 1HD1 LEU 636 -1.197 -5.402 -8.947 1048 2HD1 LEU 636 2HD1 LEU 636 -2.127 -6.489 -7.912 1049 3HD1 LEU 636 3HD1 LEU 636 -0.375 -6.445 -7.773 1050 1HD2 LEU 636 1HD2 LEU 636 -3.499 -4.367 -7.090 1051 2HD2 LEU 636 2HD2 LEU 636 -2.491 -3.506 -8.256 1052 3HD2 LEU 636 3HD2 LEU 636 -2.529 -2.987 -6.571 1053 H GLY 637 H GLY 637 -3.925 -4.902 -4.086 1054 1HA GLY 637 1HA GLY 637 -6.354 -6.078 -5.103 1055 2HA GLY 637 2HA GLY 637 -6.271 -4.723 -4.028 1056 H GLU 638 H GLU 638 -6.514 -2.721 -4.848 1057 HA GLU 638 HA GLU 638 -6.885 -2.666 -7.737 1058 1HB GLU 638 1HB GLU 638 -8.868 -2.272 -6.314 1059 2HB GLU 638 2HB GLU 638 -8.078 -0.855 -5.662 1060 1HG GLU 638 1HG GLU 638 -9.750 -0.364 -7.447 1061 2HG GLU 638 2HG GLU 638 -8.134 0.263 -7.771 1062 H HIS 639 H HIS 639 -5.802 -0.581 -5.068 1063 HA HIS 639 HA HIS 639 -3.864 0.462 -6.958 1064 1HB HIS 639 1HB HIS 639 -4.203 2.791 -6.229 1065 2HB HIS 639 2HB HIS 639 -5.653 2.132 -6.967 1066 HD1 HIS 639 HD1 HIS 639 -4.428 3.778 -3.905 1067 HD2 HIS 639 HD2 HIS 639 -7.715 1.511 -5.044 1068 HE1 HIS 639 HE1 HIS 639 -6.146 4.079 -2.098 1069 H THR 640 H THR 640 -1.942 0.082 -6.206 1070 HA THR 640 HA THR 640 -1.588 0.241 -3.338 1071 HB THR 640 HB THR 640 0.635 -0.890 -3.915 1072 HG1 THR 640 HG1 THR 640 0.986 -1.041 -5.948 1073 1HG2 THR 640 1HG2 THR 640 -1.268 -2.072 -2.927 1074 2HG2 THR 640 2HG2 THR 640 -0.410 -3.089 -4.082 1075 3HG2 THR 640 3HG2 THR 640 -1.940 -2.329 -4.536 1076 H LYS 641 H LYS 641 -1.473 2.399 -3.110 1077 HA LYS 641 HA LYS 641 0.993 3.679 -3.590 1078 1HB LYS 641 1HB LYS 641 -0.304 3.791 -5.864 1079 2HB LYS 641 2HB LYS 641 -1.405 4.839 -4.985 1080 1HG LYS 641 1HG LYS 641 1.533 5.428 -5.364 1081 2HG LYS 641 2HG LYS 641 0.278 6.045 -6.426 1082 1HD LYS 641 1HD LYS 641 -0.738 7.055 -4.312 1083 2HD LYS 641 2HD LYS 641 0.784 6.645 -3.527 1084 1HE LYS 641 1HE LYS 641 0.957 8.926 -4.249 1085 2HE LYS 641 2HE LYS 641 1.960 7.949 -5.309 1086 1HZ LYS 641 1HZ LYS 641 -0.785 8.863 -5.957 1087 2HZ LYS 641 2HZ LYS 641 0.245 8.017 -6.995 1088 3HZ LYS 641 3HZ LYS 641 0.633 9.584 -6.510 1089 H LEU 642 H LEU 642 1.106 4.885 -1.836 1090 HA LEU 642 HA LEU 642 -1.346 6.046 -0.747 1091 1HB LEU 642 1HB LEU 642 -0.518 4.223 0.652 1092 2HB LEU 642 2HB LEU 642 1.065 4.981 0.667 1093 HG LEU 642 HG LEU 642 0.015 6.939 1.811 1094 1HD1 LEU 642 1HD1 LEU 642 -2.302 5.047 2.101 1095 2HD1 LEU 642 2HD1 LEU 642 -2.297 6.600 1.255 1096 3HD1 LEU 642 3HD1 LEU 642 -2.083 6.542 3.004 1097 1HD2 LEU 642 1HD2 LEU 642 -0.094 4.297 3.237 1098 2HD2 LEU 642 2HD2 LEU 642 0.052 5.915 3.961 1099 3HD2 LEU 642 3HD2 LEU 642 1.354 5.273 2.973 1100 H GLU 643 H GLU 643 -1.177 8.127 -1.213 1101 HA GLU 643 HA GLU 643 1.417 9.412 -1.332 1102 1HB GLU 643 1HB GLU 643 -0.424 9.736 -3.061 1103 2HB GLU 643 2HB GLU 643 -1.335 10.542 -1.804 1104 1HG GLU 643 1HG GLU 643 0.233 12.325 -1.692 1105 2HG GLU 643 2HG GLU 643 1.360 11.464 -2.737 1106 H VAL 644 H VAL 644 2.164 9.784 0.694 1107 HA VAL 644 HA VAL 644 0.331 10.634 2.767 1108 HB VAL 644 HB VAL 644 3.304 10.157 2.859 1109 1HG1 VAL 644 1HG1 VAL 644 2.949 9.932 5.271 1110 2HG1 VAL 644 2HG1 VAL 644 1.241 10.299 5.041 1111 3HG1 VAL 644 3HG1 VAL 644 2.461 11.517 4.674 1112 1HG2 VAL 644 1HG2 VAL 644 2.110 8.146 2.123 1113 2HG2 VAL 644 2HG2 VAL 644 1.095 8.223 3.563 1114 3HG2 VAL 644 3HG2 VAL 644 2.824 7.928 3.710 1115 H ILE 645 H ILE 645 -0.086 12.767 2.734 1116 HA ILE 645 HA ILE 645 2.041 14.577 1.951 1117 HB ILE 645 HB ILE 645 -0.888 15.118 2.542 1118 1HG1 ILE 645 1HG1 ILE 645 -0.735 15.968 0.059 1119 2HG1 ILE 645 2HG1 ILE 645 0.745 15.054 0.019 1120 1HG2 ILE 645 1HG2 ILE 645 0.383 17.010 3.345 1121 2HG2 ILE 645 2HG2 ILE 645 -0.489 17.457 1.879 1122 3HG2 ILE 645 3HG2 ILE 645 1.243 17.123 1.810 1123 1HD1 ILE 645 1HD1 ILE 645 -0.457 13.007 0.506 1124 2HD1 ILE 645 2HD1 ILE 645 -1.142 13.803 -0.913 1125 3HD1 ILE 645 3HD1 ILE 645 -1.957 13.913 0.636 1126 H ILE 646 H ILE 646 3.198 15.640 3.371 1127 HA ILE 646 HA ILE 646 2.427 15.356 6.184 1128 HB ILE 646 HB ILE 646 5.273 15.844 5.210 1129 1HG1 ILE 646 1HG1 ILE 646 5.675 13.409 5.884 1130 2HG1 ILE 646 2HG1 ILE 646 3.937 13.191 5.791 1131 1HG2 ILE 646 1HG2 ILE 646 4.867 16.471 7.540 1132 2HG2 ILE 646 2HG2 ILE 646 5.887 15.028 7.461 1133 3HG2 ILE 646 3HG2 ILE 646 4.186 14.872 7.851 1134 1HD1 ILE 646 1HD1 ILE 646 5.004 12.432 3.776 1135 2HD1 ILE 646 2HD1 ILE 646 5.772 13.998 3.555 1136 3HD1 ILE 646 3HD1 ILE 646 4.015 13.850 3.426 1137 H GLU 647 H GLU 647 2.164 17.138 7.273 1138 HA GLU 647 HA GLU 647 3.111 19.638 6.135 1139 1HB GLU 647 1HB GLU 647 0.978 20.640 7.046 1140 2HB GLU 647 2HB GLU 647 0.790 19.638 5.617 1141 1HG GLU 647 1HG GLU 647 -0.292 17.981 6.732 1142 2HG GLU 647 2HG GLU 647 0.411 18.346 8.291 1143 H GLU 648 H GLU 648 3.530 21.249 7.783 1144 HA GLU 648 HA GLU 648 4.412 20.378 10.274 1145 1HB GLU 648 1HB GLU 648 3.489 23.081 9.286 1146 2HB GLU 648 2HB GLU 648 3.963 22.855 10.962 1147 1HG GLU 648 1HG GLU 648 5.762 23.795 9.540 1148 2HG GLU 648 2HG GLU 648 6.188 22.278 10.322 1149 H SER 649 H SER 649 3.392 19.737 11.929 1150 HA SER 649 HA SER 649 0.945 18.603 11.668 1151 1HB SER 649 1HB SER 649 2.891 18.151 13.290 1152 2HB SER 649 2HB SER 649 2.057 19.278 14.351 1153 HG SER 649 HG SER 649 0.705 17.786 14.825 1154 H TYR 650 H TYR 650 -0.733 19.898 11.075 1155 HA TYR 650 HA TYR 650 -1.925 21.315 13.294 1156 1HB TYR 650 1HB TYR 650 -1.139 23.178 11.994 1157 2HB TYR 650 2HB TYR 650 -1.657 22.421 10.488 1158 HD1 TYR 650 HD1 TYR 650 -2.875 24.148 13.540 1159 HD2 TYR 650 HD2 TYR 650 -3.876 22.563 9.742 1160 HE1 TYR 650 HE1 TYR 650 -5.097 25.209 13.683 1161 HE2 TYR 650 HE2 TYR 650 -6.080 23.564 9.853 1162 HH TYR 650 HH TYR 650 -7.619 24.341 11.675 1163 H GLU 651 H GLU 651 -2.572 20.175 9.948 1164 HA GLU 651 HA GLU 651 -5.283 19.653 10.871 1165 1HB GLU 651 1HB GLU 651 -4.946 21.223 8.926 1166 2HB GLU 651 2HB GLU 651 -4.300 19.865 8.018 1167 1HG GLU 651 1HG GLU 651 -6.623 20.356 7.459 1168 2HG GLU 651 2HG GLU 651 -6.451 18.747 8.171 1169 H PHE 652 H PHE 652 -6.289 17.856 10.002 1170 HA PHE 652 HA PHE 652 -4.530 15.552 9.408 1171 1HB PHE 652 1HB PHE 652 -5.120 15.551 11.824 1172 2HB PHE 652 2HB PHE 652 -6.821 15.512 11.364 1173 HD1 PHE 652 HD1 PHE 652 -7.887 13.489 10.869 1174 HD2 PHE 652 HD2 PHE 652 -3.653 13.648 11.184 1175 HE1 PHE 652 HE1 PHE 652 -7.795 11.045 10.792 1176 HE2 PHE 652 HE2 PHE 652 -3.553 11.208 11.103 1177 HZ PHE 652 HZ PHE 652 -5.617 9.895 10.909 1178 H LYS 653 H LYS 653 -5.179 14.508 7.687 1179 HA LYS 653 HA LYS 653 -7.992 14.344 6.909 1180 1HB LYS 653 1HB LYS 653 -5.841 15.514 5.136 1181 2HB LYS 653 2HB LYS 653 -7.389 14.953 4.552 1182 1HG LYS 653 1HG LYS 653 -7.021 17.196 6.518 1183 2HG LYS 653 2HG LYS 653 -7.185 17.390 4.770 1184 1HD LYS 653 1HD LYS 653 -9.377 16.243 4.910 1185 2HD LYS 653 2HD LYS 653 -9.223 16.240 6.669 1186 1HE LYS 653 1HE LYS 653 -10.589 18.121 5.891 1187 2HE LYS 653 2HE LYS 653 -9.109 18.676 6.673 1188 1HZ LYS 653 1HZ LYS 653 -8.135 19.064 4.507 1189 2HZ LYS 653 2HZ LYS 653 -9.603 19.881 4.613 1190 3HZ LYS 653 3HZ LYS 653 -9.502 18.453 3.734 1191 H SER 654 H SER 654 -8.259 12.807 5.159 1192 HA SER 654 HA SER 654 -6.098 11.427 4.008 1193 1HB SER 654 1HB SER 654 -6.334 10.249 6.271 1194 2HB SER 654 2HB SER 654 -7.961 9.794 5.778 1195 HG SER 654 HG SER 654 -6.234 9.109 3.826 1196 H THR 655 H THR 655 -7.058 12.215 2.189 1197 HA THR 655 HA THR 655 -9.860 11.867 1.827 1198 HB THR 655 HB THR 655 -8.778 13.950 1.109 1199 HG1 THR 655 HG1 THR 655 -10.142 14.142 -0.393 1200 1HG2 THR 655 1HG2 THR 655 -6.613 13.109 0.375 1201 2HG2 THR 655 2HG2 THR 655 -7.385 14.022 -0.923 1202 3HG2 THR 655 3HG2 THR 655 -7.382 12.259 -0.964 1203 H VAL 656 H VAL 656 -10.857 10.417 0.699 1204 HA VAL 656 HA VAL 656 -9.296 8.301 -0.519 1205 HB VAL 656 HB VAL 656 -11.500 7.055 -0.586 1206 1HG1 VAL 656 1HG1 VAL 656 -9.893 6.681 1.214 1207 2HG1 VAL 656 2HG1 VAL 656 -11.543 6.595 1.834 1208 3HG1 VAL 656 3HG1 VAL 656 -10.571 8.038 2.115 1209 1HG2 VAL 656 1HG2 VAL 656 -12.429 9.382 1.091 1210 2HG2 VAL 656 2HG2 VAL 656 -13.331 7.899 0.795 1211 3HG2 VAL 656 3HG2 VAL 656 -12.982 9.003 -0.540 1212 H ASP 657 H ASP 657 -10.190 7.391 -2.625 1213 HA ASP 657 HA ASP 657 -11.547 9.234 -4.348 1214 1HB ASP 657 1HB ASP 657 -9.410 10.402 -4.220 1215 2HB ASP 657 2HB ASP 657 -8.551 8.926 -4.626 Start of MODEL 18 1 1H HIS 501 1H HIS 501 -6.217 -18.976 -6.530 2 HA HIS 501 HA HIS 501 -7.907 -17.015 -7.173 3 1HB HIS 501 1HB HIS 501 -8.507 -15.967 -5.000 4 2HB HIS 501 2HB HIS 501 -9.313 -17.508 -5.217 5 HD1 HIS 501 HD1 HIS 501 -9.349 -18.824 -3.076 6 HD2 HIS 501 HD2 HIS 501 -6.003 -16.376 -3.315 7 HE1 HIS 501 HE1 HIS 501 -8.107 -19.102 -0.900 8 H ALA 502 H ALA 502 -7.047 -14.862 -5.961 9 HA ALA 502 HA ALA 502 -4.178 -15.153 -5.570 10 1HB ALA 502 1HB ALA 502 -5.607 -12.986 -7.120 11 2HB ALA 502 2HB ALA 502 -4.486 -14.185 -7.794 12 3HB ALA 502 3HB ALA 502 -3.911 -12.974 -6.635 13 H GLY 503 H GLY 503 -3.446 -13.683 -4.066 14 1HA GLY 503 1HA GLY 503 -5.559 -12.673 -2.445 15 2HA GLY 503 2HA GLY 503 -3.837 -12.614 -1.998 16 H ILE 504 H ILE 504 -6.289 -10.720 -2.526 17 HA ILE 504 HA ILE 504 -5.036 -8.743 -4.236 18 HB ILE 504 HB ILE 504 -7.714 -8.764 -2.808 19 1HG1 ILE 504 1HG1 ILE 504 -8.578 -8.728 -5.269 20 2HG1 ILE 504 2HG1 ILE 504 -6.976 -9.324 -5.671 21 1HG2 ILE 504 1HG2 ILE 504 -6.937 -6.493 -3.028 22 2HG2 ILE 504 2HG2 ILE 504 -8.279 -6.774 -4.143 23 3HG2 ILE 504 3HG2 ILE 504 -6.619 -6.743 -4.745 24 1HD1 ILE 504 1HD1 ILE 504 -8.975 -10.666 -3.861 25 2HD1 ILE 504 2HD1 ILE 504 -7.358 -11.265 -4.227 26 3HD1 ILE 504 3HD1 ILE 504 -8.559 -11.136 -5.512 27 H PHE 505 H PHE 505 -3.686 -7.321 -3.322 28 HA PHE 505 HA PHE 505 -4.254 -6.434 -0.579 29 1HB PHE 505 1HB PHE 505 -1.538 -6.863 -1.855 30 2HB PHE 505 2HB PHE 505 -1.802 -6.127 -0.276 31 HD1 PHE 505 HD1 PHE 505 -1.561 -9.216 -2.126 32 HD2 PHE 505 HD2 PHE 505 -2.794 -7.486 1.562 33 HE1 PHE 505 HE1 PHE 505 -1.594 -11.445 -1.098 34 HE2 PHE 505 HE2 PHE 505 -2.819 -9.716 2.600 35 HZ PHE 505 HZ PHE 505 -2.216 -11.700 1.272 36 H THR 506 H THR 506 -4.575 -4.353 -0.345 37 HA THR 506 HA THR 506 -3.465 -2.457 -2.181 38 HB THR 506 HB THR 506 -5.490 -3.163 -3.386 39 HG1 THR 506 HG1 THR 506 -6.229 -0.673 -2.304 40 1HG2 THR 506 1HG2 THR 506 -7.746 -2.810 -2.450 41 2HG2 THR 506 2HG2 THR 506 -7.025 -2.349 -0.909 42 3HG2 THR 506 3HG2 THR 506 -6.834 -3.996 -1.512 43 H PHE 507 H PHE 507 -4.032 -0.223 -1.369 44 HA PHE 507 HA PHE 507 -4.337 -0.172 1.528 45 1HB PHE 507 1HB PHE 507 -3.799 2.027 -0.492 46 2HB PHE 507 2HB PHE 507 -3.938 2.284 1.239 47 HD1 PHE 507 HD1 PHE 507 -2.240 1.295 2.758 48 HD2 PHE 507 HD2 PHE 507 -1.791 1.286 -1.467 49 HE1 PHE 507 HE1 PHE 507 0.166 0.905 3.026 50 HE2 PHE 507 HE2 PHE 507 0.625 0.885 -1.214 51 HZ PHE 507 HZ PHE 507 1.604 0.695 1.041 52 H GLU 508 H GLU 508 -5.951 1.412 2.408 53 HA GLU 508 HA GLU 508 -8.456 1.086 0.967 54 1HB GLU 508 1HB GLU 508 -7.820 0.947 3.624 55 2HB GLU 508 2HB GLU 508 -8.312 2.625 3.499 56 1HG GLU 508 1HG GLU 508 -9.965 0.198 2.850 57 2HG GLU 508 2HG GLU 508 -10.168 1.292 4.211 58 H GLU 509 H GLU 509 -6.346 3.522 2.332 59 HA GLU 509 HA GLU 509 -7.579 5.569 0.690 60 1HB GLU 509 1HB GLU 509 -6.362 7.170 2.146 61 2HB GLU 509 2HB GLU 509 -7.483 6.160 3.038 62 1HG GLU 509 1HG GLU 509 -4.556 5.507 2.889 63 2HG GLU 509 2HG GLU 509 -5.181 6.653 4.062 64 HA PRO 510 HA PRO 510 -3.726 5.418 -1.661 65 1HB PRO 510 1HB PRO 510 -4.372 7.206 -3.539 66 2HB PRO 510 2HB PRO 510 -5.148 5.619 -3.502 67 1HG PRO 510 1HG PRO 510 -6.209 8.265 -2.618 68 2HG PRO 510 2HG PRO 510 -7.050 6.931 -3.421 69 1HD PRO 510 1HD PRO 510 -7.121 7.469 -0.685 70 2HD PRO 510 2HD PRO 510 -7.544 5.918 -1.437 71 H VAL 511 H VAL 511 -5.041 7.935 0.136 72 HA VAL 511 HA VAL 511 -2.565 9.486 0.171 73 HB VAL 511 HB VAL 511 -5.329 10.715 -0.292 74 1HG1 VAL 511 1HG1 VAL 511 -4.231 12.876 -0.306 75 2HG1 VAL 511 2HG1 VAL 511 -2.718 12.087 0.149 76 3HG1 VAL 511 3HG1 VAL 511 -4.091 12.059 1.253 77 1HG2 VAL 511 1HG2 VAL 511 -4.243 9.811 -2.333 78 2HG2 VAL 511 2HG2 VAL 511 -2.891 10.929 -2.043 79 3HG2 VAL 511 3HG2 VAL 511 -4.503 11.553 -2.362 80 H THR 512 H THR 512 -2.133 10.175 2.187 81 HA THR 512 HA THR 512 -4.297 10.421 4.081 82 HB THR 512 HB THR 512 -3.272 8.097 4.378 83 HG1 THR 512 HG1 THR 512 -4.064 8.533 6.213 84 1HG2 THR 512 1HG2 THR 512 -1.056 7.917 5.420 85 2HG2 THR 512 2HG2 THR 512 -0.851 9.660 5.272 86 3HG2 THR 512 3HG2 THR 512 -0.961 8.660 3.820 87 H HIS 513 H HIS 513 -3.918 12.102 5.550 88 HA HIS 513 HA HIS 513 -1.478 13.652 5.089 89 1HB HIS 513 1HB HIS 513 -4.263 14.515 5.870 90 2HB HIS 513 2HB HIS 513 -2.864 15.548 6.132 91 HD1 HIS 513 HD1 HIS 513 -2.297 17.042 4.255 92 HD2 HIS 513 HD2 HIS 513 -4.603 13.819 3.032 93 HE1 HIS 513 HE1 HIS 513 -2.735 17.390 1.799 94 H VAL 514 H VAL 514 -0.180 14.055 6.734 95 HA VAL 514 HA VAL 514 -1.089 13.202 9.403 96 HB VAL 514 HB VAL 514 1.029 12.105 9.862 97 1HG1 VAL 514 1HG1 VAL 514 -0.167 11.050 7.308 98 2HG1 VAL 514 2HG1 VAL 514 -0.701 10.679 8.949 99 3HG1 VAL 514 3HG1 VAL 514 0.884 10.144 8.392 100 1HG2 VAL 514 1HG2 VAL 514 2.503 13.425 8.456 101 2HG2 VAL 514 2HG2 VAL 514 1.780 12.728 7.006 102 3HG2 VAL 514 3HG2 VAL 514 2.713 11.708 8.104 103 H SER 515 H SER 515 0.208 14.009 11.117 104 HA SER 515 HA SER 515 0.977 16.739 10.654 105 1HB SER 515 1HB SER 515 -0.294 16.093 12.654 106 2HB SER 515 2HB SER 515 0.997 15.010 13.135 107 HG SER 515 HG SER 515 0.766 17.452 13.841 108 H GLU 516 H GLU 516 3.075 17.490 11.167 109 HA GLU 516 HA GLU 516 5.126 15.526 10.763 110 1HB GLU 516 1HB GLU 516 5.193 17.636 9.543 111 2HB GLU 516 2HB GLU 516 5.279 18.520 11.050 112 1HG GLU 516 1HG GLU 516 7.453 17.764 11.485 113 2HG GLU 516 2HG GLU 516 7.341 16.507 10.253 114 H SER 517 H SER 517 3.444 16.690 13.351 115 HA SER 517 HA SER 517 5.734 16.528 15.130 116 1HB SER 517 1HB SER 517 4.032 18.415 15.322 117 2HB SER 517 2HB SER 517 2.877 17.199 15.863 118 HG SER 517 HG SER 517 5.355 17.839 17.034 119 H ILE 518 H ILE 518 3.948 14.433 13.612 120 HA ILE 518 HA ILE 518 3.028 12.820 15.822 121 HB ILE 518 HB ILE 518 1.847 13.081 13.536 122 1HG1 ILE 518 1HG1 ILE 518 2.351 10.283 14.529 123 2HG1 ILE 518 2HG1 ILE 518 1.260 11.437 15.295 124 1HG2 ILE 518 1HG2 ILE 518 3.929 11.035 12.761 125 2HG2 ILE 518 2HG2 ILE 518 3.776 12.663 12.101 126 3HG2 ILE 518 3HG2 ILE 518 2.511 11.471 11.806 127 1HD1 ILE 518 1HD1 ILE 518 0.005 9.956 13.902 128 2HD1 ILE 518 2HD1 ILE 518 1.076 10.340 12.535 129 3HD1 ILE 518 3HD1 ILE 518 0.038 11.599 13.215 130 H GLY 519 H GLY 519 3.889 10.751 16.247 131 1HA GLY 519 1HA GLY 519 6.738 10.584 15.708 132 2HA GLY 519 2HA GLY 519 5.806 9.597 16.837 133 H ILE 520 H ILE 520 4.065 8.300 15.681 134 HA ILE 520 HA ILE 520 5.270 7.002 13.346 135 HB ILE 520 HB ILE 520 3.941 5.739 15.754 136 1HG1 ILE 520 1HG1 ILE 520 6.348 6.206 16.024 137 2HG1 ILE 520 2HG1 ILE 520 6.016 4.476 16.015 138 1HG2 ILE 520 1HG2 ILE 520 3.067 4.640 13.792 139 2HG2 ILE 520 2HG2 ILE 520 4.167 3.560 14.651 140 3HG2 ILE 520 3HG2 ILE 520 4.699 4.373 13.178 141 1HD1 ILE 520 1HD1 ILE 520 8.006 4.925 14.749 142 2HD1 ILE 520 2HD1 ILE 520 7.156 6.122 13.780 143 3HD1 ILE 520 3HD1 ILE 520 6.725 4.420 13.636 144 H MET 521 H MET 521 3.962 7.077 11.679 145 HA MET 521 HA MET 521 1.099 7.192 12.235 146 1HB MET 521 1HB MET 521 0.731 8.050 9.951 147 2HB MET 521 2HB MET 521 1.868 9.070 10.796 148 1HG MET 521 1HG MET 521 2.699 8.949 8.630 149 2HG MET 521 2HG MET 521 3.673 7.775 9.501 150 1HE MET 521 1HE MET 521 3.086 8.112 6.200 151 2HE MET 521 2HE MET 521 3.141 6.420 5.754 152 3HE MET 521 3HE MET 521 4.330 7.073 6.872 153 H GLU 522 H GLU 522 -0.247 5.657 11.564 154 HA GLU 522 HA GLU 522 1.034 3.293 10.412 155 1HB GLU 522 1HB GLU 522 -0.949 3.461 12.659 156 2HB GLU 522 2HB GLU 522 -0.703 1.992 11.737 157 1HG GLU 522 1HG GLU 522 1.630 1.966 12.409 158 2HG GLU 522 2HG GLU 522 1.371 3.429 13.376 159 H VAL 523 H VAL 523 0.098 2.449 8.767 160 HA VAL 523 HA VAL 523 -2.553 3.435 7.988 161 HB VAL 523 HB VAL 523 -0.420 2.237 6.211 162 1HG1 VAL 523 1HG1 VAL 523 -2.671 2.008 5.303 163 2HG1 VAL 523 2HG1 VAL 523 -1.754 3.193 4.369 164 3HG1 VAL 523 3HG1 VAL 523 -2.956 3.733 5.535 165 1HG2 VAL 523 1HG2 VAL 523 0.323 4.329 7.222 166 2HG2 VAL 523 2HG2 VAL 523 -1.112 5.150 6.576 167 3HG2 VAL 523 3HG2 VAL 523 0.091 4.459 5.485 168 H LYS 524 H LYS 524 -4.108 1.995 8.040 169 HA LYS 524 HA LYS 524 -3.614 -0.772 8.653 170 1HB LYS 524 1HB LYS 524 -6.110 0.856 8.275 171 2HB LYS 524 2HB LYS 524 -6.147 -0.865 8.600 172 1HG LYS 524 1HG LYS 524 -4.669 0.985 10.386 173 2HG LYS 524 2HG LYS 524 -6.423 0.769 10.595 174 1HD LYS 524 1HD LYS 524 -6.056 -1.625 10.864 175 2HD LYS 524 2HD LYS 524 -4.324 -1.411 10.624 176 1HE LYS 524 1HE LYS 524 -4.914 -1.719 12.928 177 2HE LYS 524 2HE LYS 524 -4.203 -0.118 12.685 178 1HZ LYS 524 1HZ LYS 524 -6.106 -0.008 14.149 179 2HZ LYS 524 2HZ LYS 524 -7.092 -0.766 13.018 180 3HZ LYS 524 3HZ LYS 524 -6.505 0.794 12.714 181 H VAL 525 H VAL 525 -3.446 -2.244 7.273 182 HA VAL 525 HA VAL 525 -4.200 -1.773 4.451 183 HB VAL 525 HB VAL 525 -2.444 -3.997 5.521 184 1HG1 VAL 525 1HG1 VAL 525 -2.744 -2.912 2.710 185 2HG1 VAL 525 2HG1 VAL 525 -3.366 -4.458 3.283 186 3HG1 VAL 525 3HG1 VAL 525 -1.627 -4.185 3.195 187 1HG2 VAL 525 1HG2 VAL 525 -1.443 -1.875 6.055 188 2HG2 VAL 525 2HG2 VAL 525 -1.608 -1.343 4.382 189 3HG2 VAL 525 3HG2 VAL 525 -0.522 -2.676 4.783 190 H LEU 526 H LEU 526 -5.331 -3.414 3.281 191 HA LEU 526 HA LEU 526 -7.198 -4.874 4.976 192 1HB LEU 526 1HB LEU 526 -7.276 -4.399 1.986 193 2HB LEU 526 2HB LEU 526 -8.531 -5.139 2.941 194 HG LEU 526 HG LEU 526 -9.289 -2.991 2.389 195 1HD1 LEU 526 1HD1 LEU 526 -9.530 -1.820 4.494 196 2HD1 LEU 526 2HD1 LEU 526 -8.283 -2.850 5.196 197 3HD1 LEU 526 3HD1 LEU 526 -9.802 -3.558 4.639 198 1HD2 LEU 526 1HD2 LEU 526 -8.060 -0.925 2.784 199 2HD2 LEU 526 2HD2 LEU 526 -7.193 -1.994 1.683 200 3HD2 LEU 526 3HD2 LEU 526 -6.679 -1.853 3.364 201 H ARG 527 H ARG 527 -7.593 -7.090 4.556 202 HA ARG 527 HA ARG 527 -5.386 -8.453 3.235 203 1HB ARG 527 1HB ARG 527 -7.584 -9.490 5.008 204 2HB ARG 527 2HB ARG 527 -6.594 -10.565 4.047 205 1HG ARG 527 1HG ARG 527 -4.608 -9.572 5.212 206 2HG ARG 527 2HG ARG 527 -5.752 -8.808 6.329 207 1HD ARG 527 1HD ARG 527 -5.477 -11.746 5.744 208 2HD ARG 527 2HD ARG 527 -4.928 -10.951 7.209 209 HE ARG 527 HE ARG 527 -7.621 -10.389 6.980 210 1HH1 ARG 527 1HH1 ARG 527 -5.609 -13.267 7.526 211 2HH1 ARG 527 2HH1 ARG 527 -6.871 -14.215 8.132 212 1HH2 ARG 527 1HH2 ARG 527 -9.352 -11.676 7.854 213 2HH2 ARG 527 2HH2 ARG 527 -9.063 -13.278 8.346 214 H THR 528 H THR 528 -6.207 -10.536 2.152 215 HA THR 528 HA THR 528 -7.882 -9.654 -0.022 216 HB THR 528 HB THR 528 -5.752 -10.716 -0.518 217 HG1 THR 528 HG1 THR 528 -7.287 -12.758 -1.474 218 1HG2 THR 528 1HG2 THR 528 -5.523 -12.179 1.426 219 2HG2 THR 528 2HG2 THR 528 -5.387 -13.114 -0.063 220 3HG2 THR 528 3HG2 THR 528 -6.883 -13.152 0.868 221 H SER 529 H SER 529 -9.430 -11.142 -0.885 222 HA SER 529 HA SER 529 -11.468 -11.767 0.932 223 1HB SER 529 1HB SER 529 -11.607 -11.183 -1.545 224 2HB SER 529 2HB SER 529 -11.066 -12.812 -1.861 225 HG SER 529 HG SER 529 -13.234 -12.596 -0.133 226 H GLY 530 H GLY 530 -9.072 -13.701 -0.784 227 1HA GLY 530 1HA GLY 530 -9.890 -16.076 0.731 228 2HA GLY 530 2HA GLY 530 -8.876 -16.074 -0.711 229 H ALA 531 H ALA 531 -8.902 -14.789 2.589 230 HA ALA 531 HA ALA 531 -6.028 -14.746 2.619 231 1HB ALA 531 1HB ALA 531 -6.204 -13.981 4.930 232 2HB ALA 531 2HB ALA 531 -7.939 -14.274 4.909 233 3HB ALA 531 3HB ALA 531 -7.240 -13.021 3.873 234 H ARG 532 H ARG 532 -5.671 -16.881 2.115 235 HA ARG 532 HA ARG 532 -5.592 -18.648 4.446 236 1HB ARG 532 1HB ARG 532 -6.059 -19.527 1.582 237 2HB ARG 532 2HB ARG 532 -5.993 -20.560 2.995 238 1HG ARG 532 1HG ARG 532 -8.141 -18.546 2.363 239 2HG ARG 532 2HG ARG 532 -8.263 -20.293 2.173 240 1HD ARG 532 1HD ARG 532 -7.892 -20.509 4.624 241 2HD ARG 532 2HD ARG 532 -7.940 -18.753 4.746 242 HE ARG 532 HE ARG 532 -10.196 -19.696 3.374 243 1HH1 ARG 532 1HH1 ARG 532 -8.961 -19.261 6.685 244 2HH1 ARG 532 2HH1 ARG 532 -10.484 -19.434 7.419 245 1HH2 ARG 532 1HH2 ARG 532 -12.287 -19.885 4.397 246 2HH2 ARG 532 2HH2 ARG 532 -12.430 -19.812 6.076 247 H GLY 533 H GLY 533 -3.516 -19.551 4.634 248 1HA GLY 533 1HA GLY 533 -1.427 -20.244 3.870 249 2HA GLY 533 2HA GLY 533 -1.751 -19.463 2.327 250 H ASN 534 H ASN 534 0.660 -18.986 3.232 251 HA ASN 534 HA ASN 534 0.510 -16.467 4.729 252 1HB ASN 534 1HB ASN 534 1.898 -18.210 5.784 253 2HB ASN 534 2HB ASN 534 2.870 -18.321 4.327 254 1HD2 ASN 534 1HD2 ASN 534 1.728 -15.217 5.704 255 2HD2 ASN 534 2HD2 ASN 534 3.296 -14.721 6.177 256 H VAL 535 H VAL 535 0.771 -14.686 3.613 257 HA VAL 535 HA VAL 535 2.401 -14.775 1.194 258 HB VAL 535 HB VAL 535 -0.117 -13.105 1.605 259 1HG1 VAL 535 1HG1 VAL 535 1.751 -13.324 -0.754 260 2HG1 VAL 535 2HG1 VAL 535 1.494 -11.891 0.246 261 3HG1 VAL 535 3HG1 VAL 535 0.203 -12.499 -0.797 262 1HG2 VAL 535 1HG2 VAL 535 -1.031 -14.453 -0.253 263 2HG2 VAL 535 2HG2 VAL 535 -0.667 -15.422 1.188 264 3HG2 VAL 535 3HG2 VAL 535 0.439 -15.431 -0.189 265 H ILE 536 H ILE 536 3.994 -13.426 1.249 266 HA ILE 536 HA ILE 536 4.074 -11.476 3.422 267 HB ILE 536 HB ILE 536 6.326 -12.588 1.708 268 1HG1 ILE 536 1HG1 ILE 536 5.474 -14.218 3.300 269 2HG1 ILE 536 2HG1 ILE 536 7.076 -13.667 3.782 270 1HG2 ILE 536 1HG2 ILE 536 6.784 -10.305 2.346 271 2HG2 ILE 536 2HG2 ILE 536 7.831 -11.425 3.221 272 3HG2 ILE 536 3HG2 ILE 536 6.437 -10.698 4.029 273 1HD1 ILE 536 1HD1 ILE 536 4.444 -12.816 4.931 274 2HD1 ILE 536 2HD1 ILE 536 5.988 -12.113 5.363 275 3HD1 ILE 536 3HD1 ILE 536 5.665 -13.822 5.733 276 H VAL 537 H VAL 537 4.255 -9.360 3.026 277 HA VAL 537 HA VAL 537 4.245 -8.607 0.205 278 HB VAL 537 HB VAL 537 2.630 -7.236 2.386 279 1HG1 VAL 537 1HG1 VAL 537 2.755 -6.677 -0.574 280 2HG1 VAL 537 2HG1 VAL 537 3.392 -5.649 0.711 281 3HG1 VAL 537 3HG1 VAL 537 1.652 -5.913 0.571 282 1HG2 VAL 537 1HG2 VAL 537 1.705 -8.921 0.052 283 2HG2 VAL 537 2HG2 VAL 537 0.652 -8.064 1.176 284 3HG2 VAL 537 3HG2 VAL 537 1.662 -9.391 1.750 285 HA PRO 538 HA PRO 538 7.722 -6.144 1.775 286 1HB PRO 538 1HB PRO 538 8.769 -5.589 -0.670 287 2HB PRO 538 2HB PRO 538 9.060 -7.119 0.160 288 1HG PRO 538 1HG PRO 538 7.202 -6.502 -2.082 289 2HG PRO 538 2HG PRO 538 8.138 -7.972 -1.767 290 1HD PRO 538 1HD PRO 538 5.449 -7.676 -1.251 291 2HD PRO 538 2HD PRO 538 6.500 -8.862 -0.456 292 H TYR 539 H TYR 539 7.802 -4.015 2.125 293 HA TYR 539 HA TYR 539 6.326 -2.187 0.351 294 1HB TYR 539 1HB TYR 539 5.291 -1.047 2.220 295 2HB TYR 539 2HB TYR 539 4.910 -2.758 2.346 296 HD1 TYR 539 HD1 TYR 539 6.022 -4.148 4.063 297 HD2 TYR 539 HD2 TYR 539 6.560 0.067 3.948 298 HE1 TYR 539 HE1 TYR 539 6.857 -4.197 6.365 299 HE2 TYR 539 HE2 TYR 539 7.399 0.042 6.247 300 HH TYR 539 HH TYR 539 7.337 -1.360 8.218 301 H LYS 540 H LYS 540 7.070 0.028 0.540 302 HA LYS 540 HA LYS 540 9.378 0.560 2.163 303 1HB LYS 540 1HB LYS 540 10.855 1.166 0.334 304 2HB LYS 540 2HB LYS 540 10.436 -0.537 0.262 305 1HG LYS 540 1HG LYS 540 8.865 -0.102 -1.523 306 2HG LYS 540 2HG LYS 540 9.191 1.631 -1.411 307 1HD LYS 540 1HD LYS 540 11.523 1.213 -1.945 308 2HD LYS 540 2HD LYS 540 11.185 -0.513 -2.114 309 1HE LYS 540 1HE LYS 540 9.582 0.002 -3.883 310 2HE LYS 540 2HE LYS 540 9.985 1.713 -3.746 311 1HZ LYS 540 1HZ LYS 540 11.856 -0.462 -4.517 312 2HZ LYS 540 2HZ LYS 540 12.285 1.167 -4.404 313 3HZ LYS 540 3HZ LYS 540 11.194 0.656 -5.582 314 H THR 541 H THR 541 9.953 2.761 2.202 315 HA THR 541 HA THR 541 7.867 4.588 1.436 316 HB THR 541 HB THR 541 9.574 6.167 2.615 317 HG1 THR 541 HG1 THR 541 11.373 4.739 2.816 318 1HG2 THR 541 1HG2 THR 541 7.424 5.547 3.606 319 2HG2 THR 541 2HG2 THR 541 8.694 5.537 4.833 320 3HG2 THR 541 3HG2 THR 541 8.115 4.020 4.160 321 H ILE 542 H ILE 542 7.970 5.489 -0.543 322 HA ILE 542 HA ILE 542 10.539 5.844 -1.860 323 HB ILE 542 HB ILE 542 7.756 6.646 -2.800 324 1HG1 ILE 542 1HG1 ILE 542 8.197 4.846 -4.603 325 2HG1 ILE 542 2HG1 ILE 542 9.463 4.270 -3.532 326 1HG2 ILE 542 1HG2 ILE 542 8.769 7.026 -5.011 327 2HG2 ILE 542 2HG2 ILE 542 10.362 6.741 -4.304 328 3HG2 ILE 542 3HG2 ILE 542 9.388 8.112 -3.768 329 1HD1 ILE 542 1HD1 ILE 542 7.813 3.853 -1.798 330 2HD1 ILE 542 2HD1 ILE 542 7.409 2.995 -3.292 331 3HD1 ILE 542 3HD1 ILE 542 6.555 4.484 -2.858 332 H GLU 543 H GLU 543 11.660 7.504 -1.301 333 HA GLU 543 HA GLU 543 10.776 9.489 0.366 334 1HB GLU 543 1HB GLU 543 12.997 10.670 -0.409 335 2HB GLU 543 2HB GLU 543 12.999 9.272 0.634 336 1HG GLU 543 1HG GLU 543 14.690 9.153 -1.024 337 2HG GLU 543 2HG GLU 543 13.550 7.831 -1.233 338 H GLY 544 H GLY 544 11.226 9.776 -3.120 339 1HA GLY 544 1HA GLY 544 10.234 11.208 -4.623 340 2HA GLY 544 2HA GLY 544 9.052 11.563 -3.379 341 H THR 545 H THR 545 9.298 13.345 -2.122 342 HA THR 545 HA THR 545 11.364 15.218 -3.017 343 HB THR 545 HB THR 545 9.154 15.930 -3.770 344 HG1 THR 545 HG1 THR 545 10.717 17.430 -2.223 345 1HG2 THR 545 1HG2 THR 545 7.363 16.521 -2.187 346 2HG2 THR 545 2HG2 THR 545 8.345 15.899 -0.863 347 3HG2 THR 545 3HG2 THR 545 7.764 14.805 -2.114 348 H ALA 546 H ALA 546 10.664 13.281 -0.494 349 HA ALA 546 HA ALA 546 11.486 15.228 1.536 350 1HB ALA 546 1HB ALA 546 10.313 12.468 1.881 351 2HB ALA 546 2HB ALA 546 9.417 13.981 1.996 352 3HB ALA 546 3HB ALA 546 10.677 13.611 3.176 353 H ARG 547 H ARG 547 13.136 14.510 3.078 354 HA ARG 547 HA ARG 547 15.227 13.090 1.640 355 1HB ARG 547 1HB ARG 547 15.421 14.617 4.247 356 2HB ARG 547 2HB ARG 547 16.710 13.655 3.580 357 1HG ARG 547 1HG ARG 547 17.136 15.918 3.057 358 2HG ARG 547 2HG ARG 547 16.678 15.010 1.604 359 1HD ARG 547 1HD ARG 547 14.549 15.902 1.571 360 2HD ARG 547 2HD ARG 547 14.720 16.555 3.205 361 HE ARG 547 HE ARG 547 16.371 18.110 2.300 362 1HH1 ARG 547 1HH1 ARG 547 14.191 16.699 -0.114 363 2HH1 ARG 547 2HH1 ARG 547 14.076 18.108 -1.065 364 1HH2 ARG 547 1HH2 ARG 547 16.217 20.059 0.993 365 2HH2 ARG 547 2HH2 ARG 547 15.292 20.044 -0.444 366 H GLY 548 H GLY 548 15.819 11.285 1.972 367 1HA GLY 548 1HA GLY 548 14.388 9.596 3.896 368 2HA GLY 548 2HA GLY 548 15.409 9.007 2.592 369 H GLY 549 H GLY 549 15.841 7.667 4.686 370 1HA GLY 549 1HA GLY 549 17.565 6.912 5.983 371 2HA GLY 549 2HA GLY 549 18.506 8.283 5.426 372 H GLY 550 H GLY 550 15.410 8.705 7.113 373 1HA GLY 550 1HA GLY 550 14.976 9.335 9.266 374 2HA GLY 550 2HA GLY 550 16.647 8.972 9.676 375 H GLU 551 H GLU 551 16.049 11.035 7.019 376 HA GLU 551 HA GLU 551 17.297 13.196 8.495 377 1HB GLU 551 1HB GLU 551 18.082 12.436 6.214 378 2HB GLU 551 2HB GLU 551 16.594 13.114 5.571 379 1HG GLU 551 1HG GLU 551 18.375 14.675 5.261 380 2HG GLU 551 2HG GLU 551 17.249 15.315 6.446 381 H ASP 552 H ASP 552 14.645 13.084 6.087 382 HA ASP 552 HA ASP 552 13.271 15.192 7.640 383 1HB ASP 552 1HB ASP 552 13.702 15.110 4.937 384 2HB ASP 552 2HB ASP 552 12.170 14.258 5.015 385 H PHE 553 H PHE 553 13.133 11.925 6.453 386 HA PHE 553 HA PHE 553 11.065 11.322 8.377 387 1HB PHE 553 1HB PHE 553 9.651 10.147 6.869 388 2HB PHE 553 2HB PHE 553 9.974 11.691 6.105 389 HD1 PHE 553 HD1 PHE 553 11.529 11.782 4.148 390 HD2 PHE 553 HD2 PHE 553 10.297 8.117 5.888 391 HE1 PHE 553 HE1 PHE 553 12.237 10.569 2.116 392 HE2 PHE 553 HE2 PHE 553 11.008 6.909 3.884 393 HZ PHE 553 HZ PHE 553 11.969 8.127 1.996 394 H GLU 554 H GLU 554 11.002 8.958 8.777 395 HA GLU 554 HA GLU 554 13.668 7.813 8.555 396 1HB GLU 554 1HB GLU 554 12.115 8.008 10.654 397 2HB GLU 554 2HB GLU 554 11.264 6.669 9.946 398 1HG GLU 554 1HG GLU 554 14.149 6.695 10.828 399 2HG GLU 554 2HG GLU 554 12.812 5.959 11.690 400 H ASP 555 H ASP 555 14.033 6.098 7.219 401 HA ASP 555 HA ASP 555 11.978 5.574 5.224 402 1HB ASP 555 1HB ASP 555 14.181 6.120 4.373 403 2HB ASP 555 2HB ASP 555 14.905 4.826 5.317 404 H THR 556 H THR 556 10.708 3.895 5.421 405 HA THR 556 HA THR 556 11.817 1.631 6.823 406 HB THR 556 HB THR 556 10.091 2.671 8.207 407 HG1 THR 556 HG1 THR 556 10.231 0.541 8.493 408 1HG2 THR 556 1HG2 THR 556 8.652 3.678 6.578 409 2HG2 THR 556 2HG2 THR 556 7.711 2.515 7.525 410 3HG2 THR 556 3HG2 THR 556 8.249 2.104 5.892 411 H CYS 557 H CYS 557 12.028 -0.090 5.767 412 HA CYS 557 HA CYS 557 10.252 -0.777 3.618 413 1HB CYS 557 1HB CYS 557 12.400 -1.388 2.287 414 2HB CYS 557 2HB CYS 557 11.874 0.292 2.307 415 HG CYS 557 HG CYS 557 13.915 1.317 3.549 416 H GLY 558 H GLY 558 9.796 -2.913 3.685 417 1HA GLY 558 1HA GLY 558 11.514 -4.882 4.579 418 2HA GLY 558 2HA GLY 558 10.489 -4.370 5.924 419 H GLU 559 H GLU 559 9.522 -6.444 5.874 420 HA GLU 559 HA GLU 559 7.591 -6.759 3.696 421 1HB GLU 559 1HB GLU 559 9.423 -8.769 4.906 422 2HB GLU 559 2HB GLU 559 7.965 -9.243 4.029 423 1HG GLU 559 1HG GLU 559 8.814 -8.228 2.024 424 2HG GLU 559 2HG GLU 559 10.201 -7.581 2.902 425 H LEU 560 H LEU 560 5.611 -6.926 4.369 426 HA LEU 560 HA LEU 560 4.991 -7.308 7.189 427 1HB LEU 560 1HB LEU 560 3.253 -6.713 4.799 428 2HB LEU 560 2HB LEU 560 2.676 -6.838 6.444 429 HG LEU 560 HG LEU 560 4.633 -4.758 5.483 430 1HD1 LEU 560 1HD1 LEU 560 2.758 -3.225 5.624 431 2HD1 LEU 560 2HD1 LEU 560 1.677 -4.575 5.988 432 3HD1 LEU 560 3HD1 LEU 560 2.477 -4.481 4.417 433 1HD2 LEU 560 1HD2 LEU 560 4.053 -3.640 7.588 434 2HD2 LEU 560 2HD2 LEU 560 4.834 -5.195 7.868 435 3HD2 LEU 560 3HD2 LEU 560 3.085 -5.034 8.060 436 H GLU 561 H GLU 561 3.758 -9.041 7.943 437 HA GLU 561 HA GLU 561 3.652 -11.312 6.134 438 1HB GLU 561 1HB GLU 561 4.981 -11.590 8.187 439 2HB GLU 561 2HB GLU 561 3.566 -11.198 9.152 440 1HG GLU 561 1HG GLU 561 2.435 -13.194 8.240 441 2HG GLU 561 2HG GLU 561 3.919 -13.574 7.362 442 H PHE 562 H PHE 562 1.717 -11.797 5.337 443 HA PHE 562 HA PHE 562 -0.615 -11.427 7.069 444 1HB PHE 562 1HB PHE 562 -0.393 -11.273 4.068 445 2HB PHE 562 2HB PHE 562 -1.920 -11.524 4.916 446 HD1 PHE 562 HD1 PHE 562 0.464 -9.157 3.702 447 HD2 PHE 562 HD2 PHE 562 -2.710 -9.742 6.460 448 HE1 PHE 562 HE1 PHE 562 0.106 -6.728 3.784 449 HE2 PHE 562 HE2 PHE 562 -3.087 -7.306 6.557 450 HZ PHE 562 HZ PHE 562 -1.673 -5.799 5.204 451 H GLN 563 H GLN 563 -2.035 -13.178 7.143 452 HA GLN 563 HA GLN 563 -1.643 -15.417 5.492 453 1HB GLN 563 1HB GLN 563 -1.140 -17.041 7.393 454 2HB GLN 563 2HB GLN 563 0.187 -16.012 6.893 455 1HG GLN 563 1HG GLN 563 -0.125 -14.614 8.786 456 2HG GLN 563 2HG GLN 563 -1.567 -15.510 9.272 457 1HE2 GLN 563 1HE2 GLN 563 1.364 -17.041 8.032 458 2HE2 GLN 563 2HE2 GLN 563 1.815 -17.761 9.526 459 H ASN 564 H ASN 564 -2.913 -17.340 6.847 460 HA ASN 564 HA ASN 564 -5.591 -16.671 6.463 461 1HB ASN 564 1HB ASN 564 -4.763 -18.919 6.269 462 2HB ASN 564 2HB ASN 564 -4.361 -18.960 7.981 463 1HD2 ASN 564 1HD2 ASN 564 -5.600 -20.767 8.291 464 2HD2 ASN 564 2HD2 ASN 564 -7.319 -20.746 8.311 465 H ASP 565 H ASP 565 -3.790 -16.980 9.495 466 HA ASP 565 HA ASP 565 -6.196 -16.154 10.914 467 1HB ASP 565 1HB ASP 565 -3.534 -17.075 11.983 468 2HB ASP 565 2HB ASP 565 -4.863 -16.551 13.008 469 H GLU 566 H GLU 566 -2.955 -14.983 10.329 470 HA GLU 566 HA GLU 566 -3.152 -12.676 11.960 471 1HB GLU 566 1HB GLU 566 -0.982 -13.622 11.112 472 2HB GLU 566 2HB GLU 566 -1.443 -13.056 9.509 473 1HG GLU 566 1HG GLU 566 0.146 -11.554 10.580 474 2HG GLU 566 2HG GLU 566 -1.396 -10.769 10.243 475 H ILE 567 H ILE 567 -3.867 -10.623 11.520 476 HA ILE 567 HA ILE 567 -5.167 -10.284 8.954 477 HB ILE 567 HB ILE 567 -6.809 -8.841 10.074 478 1HG1 ILE 567 1HG1 ILE 567 -5.795 -9.869 12.712 479 2HG1 ILE 567 2HG1 ILE 567 -5.253 -8.331 12.048 480 1HG2 ILE 567 1HG2 ILE 567 -8.097 -10.571 11.202 481 2HG2 ILE 567 2HG2 ILE 567 -6.667 -11.605 11.235 482 3HG2 ILE 567 3HG2 ILE 567 -7.389 -11.147 9.692 483 1HD1 ILE 567 1HD1 ILE 567 -7.501 -7.531 11.994 484 2HD1 ILE 567 2HD1 ILE 567 -7.089 -8.044 13.639 485 3HD1 ILE 567 3HD1 ILE 567 -8.115 -9.063 12.617 486 H VAL 568 H VAL 568 -5.743 -7.828 9.015 487 HA VAL 568 HA VAL 568 -4.614 -5.952 8.182 488 HB VAL 568 HB VAL 568 -6.392 -5.859 9.946 489 1HG1 VAL 568 1HG1 VAL 568 -4.144 -4.893 11.598 490 2HG1 VAL 568 2HG1 VAL 568 -5.169 -6.299 11.921 491 3HG1 VAL 568 3HG1 VAL 568 -5.842 -4.648 12.018 492 1HG2 VAL 568 1HG2 VAL 568 -5.956 -4.025 8.433 493 2HG2 VAL 568 2HG2 VAL 568 -4.641 -3.463 9.473 494 3HG2 VAL 568 3HG2 VAL 568 -6.298 -3.405 10.051 495 H LYS 569 H LYS 569 -2.882 -4.942 7.886 496 HA LYS 569 HA LYS 569 -0.802 -5.079 9.937 497 1HB LYS 569 1HB LYS 569 -0.380 -5.149 6.964 498 2HB LYS 569 2HB LYS 569 0.912 -4.822 8.105 499 1HG LYS 569 1HG LYS 569 -0.703 -7.350 7.832 500 2HG LYS 569 2HG LYS 569 1.009 -7.138 7.484 501 1HD LYS 569 1HD LYS 569 -0.336 -7.044 10.186 502 2HD LYS 569 2HD LYS 569 0.739 -8.270 9.536 503 1HE LYS 569 1HE LYS 569 2.617 -6.784 9.552 504 2HE LYS 569 2HE LYS 569 1.593 -5.411 9.936 505 1HZ LYS 569 1HZ LYS 569 2.818 -6.227 11.862 506 2HZ LYS 569 2HZ LYS 569 2.027 -7.712 11.773 507 3HZ LYS 569 3HZ LYS 569 1.166 -6.301 12.086 508 H THR 570 H THR 570 0.569 -3.367 10.171 509 HA THR 570 HA THR 570 -0.448 -0.920 8.966 510 HB THR 570 HB THR 570 0.360 0.217 11.099 511 HG1 THR 570 HG1 THR 570 0.508 -0.878 12.876 512 1HG2 THR 570 1HG2 THR 570 -1.829 -0.026 12.167 513 2HG2 THR 570 2HG2 THR 570 -2.183 -1.399 11.112 514 3HG2 THR 570 3HG2 THR 570 -1.955 0.215 10.427 515 H ILE 571 H ILE 571 0.958 0.057 7.827 516 HA ILE 571 HA ILE 571 3.764 -0.454 8.187 517 HB ILE 571 HB ILE 571 2.361 1.617 6.421 518 1HG1 ILE 571 1HG1 ILE 571 3.294 0.226 4.529 519 2HG1 ILE 571 2HG1 ILE 571 3.735 -0.987 5.718 520 1HG2 ILE 571 1HG2 ILE 571 4.543 2.401 7.132 521 2HG2 ILE 571 2HG2 ILE 571 4.495 2.052 5.406 522 3HG2 ILE 571 3HG2 ILE 571 5.285 0.924 6.513 523 1HD1 ILE 571 1HD1 ILE 571 1.691 -1.531 4.530 524 2HD1 ILE 571 2HD1 ILE 571 0.939 -0.048 5.138 525 3HD1 ILE 571 3HD1 ILE 571 1.424 -1.327 6.257 526 H SER 572 H SER 572 4.896 0.521 9.695 527 HA SER 572 HA SER 572 3.697 2.842 11.014 528 1HB SER 572 1HB SER 572 5.814 0.957 12.051 529 2HB SER 572 2HB SER 572 4.800 2.067 12.979 530 HG SER 572 HG SER 572 3.441 0.307 11.392 531 H VAL 573 H VAL 573 4.609 4.667 10.259 532 HA VAL 573 HA VAL 573 7.473 4.602 9.558 533 HB VAL 573 HB VAL 573 5.387 6.516 8.498 534 1HG1 VAL 573 1HG1 VAL 573 7.083 7.126 6.822 535 2HG1 VAL 573 2HG1 VAL 573 8.233 6.049 7.611 536 3HG1 VAL 573 3HG1 VAL 573 7.623 7.464 8.467 537 1HG2 VAL 573 1HG2 VAL 573 5.580 5.278 6.352 538 2HG2 VAL 573 2HG2 VAL 573 4.872 4.338 7.657 539 3HG2 VAL 573 3HG2 VAL 573 6.539 4.049 7.179 540 H LYS 574 H LYS 574 8.776 5.998 10.487 541 HA LYS 574 HA LYS 574 7.780 7.691 12.625 542 1HB LYS 574 1HB LYS 574 9.609 6.295 13.237 543 2HB LYS 574 2HB LYS 574 10.518 6.722 11.805 544 1HG LYS 574 1HG LYS 574 11.553 7.804 13.638 545 2HG LYS 574 2HG LYS 574 10.706 9.043 12.724 546 1HD LYS 574 1HD LYS 574 10.348 9.463 15.060 547 2HD LYS 574 2HD LYS 574 8.843 8.871 14.358 548 1HE LYS 574 1HE LYS 574 9.094 6.745 15.331 549 2HE LYS 574 2HE LYS 574 10.785 7.032 15.727 550 1HZ LYS 574 1HZ LYS 574 9.275 7.177 17.646 551 2HZ LYS 574 2HZ LYS 574 8.514 8.513 16.971 552 3HZ LYS 574 3HZ LYS 574 10.139 8.597 17.377 553 H VAL 575 H VAL 575 7.476 9.754 12.352 554 HA VAL 575 HA VAL 575 8.627 11.058 10.021 555 HB VAL 575 HB VAL 575 6.531 12.081 11.981 556 1HG1 VAL 575 1HG1 VAL 575 7.786 13.923 10.988 557 2HG1 VAL 575 2HG1 VAL 575 6.152 13.858 10.314 558 3HG1 VAL 575 3HG1 VAL 575 7.515 13.254 9.377 559 1HG2 VAL 575 1HG2 VAL 575 4.939 11.743 10.139 560 2HG2 VAL 575 2HG2 VAL 575 5.704 10.229 10.620 561 3HG2 VAL 575 3HG2 VAL 575 6.232 11.054 9.157 562 H ILE 576 H ILE 576 10.403 12.142 10.237 563 HA ILE 576 HA ILE 576 11.679 12.433 12.808 564 HB ILE 576 HB ILE 576 12.589 13.352 10.055 565 1HG1 ILE 576 1HG1 ILE 576 12.151 10.935 10.079 566 2HG1 ILE 576 2HG1 ILE 576 13.855 11.286 9.862 567 1HG2 ILE 576 1HG2 ILE 576 14.853 13.294 10.955 568 2HG2 ILE 576 2HG2 ILE 576 14.218 12.818 12.527 569 3HG2 ILE 576 3HG2 ILE 576 13.833 14.412 11.869 570 1HD1 ILE 576 1HD1 ILE 576 12.506 10.370 12.377 571 2HD1 ILE 576 2HD1 ILE 576 14.224 10.764 12.203 572 3HD1 ILE 576 3HD1 ILE 576 13.523 9.416 11.280 573 H ASP 577 H ASP 577 12.331 14.491 13.645 574 HA ASP 577 HA ASP 577 10.570 16.624 12.964 575 1HB ASP 577 1HB ASP 577 12.764 16.395 14.968 576 2HB ASP 577 2HB ASP 577 12.258 18.008 14.482 577 H ASP 578 H ASP 578 10.783 16.877 11.022 578 HA ASP 578 HA ASP 578 12.682 17.266 9.208 579 1HB ASP 578 1HB ASP 578 10.491 17.231 8.546 580 2HB ASP 578 2HB ASP 578 10.026 18.492 9.659 581 H GLU 579 H GLU 579 14.116 18.633 8.606 582 HA GLU 579 HA GLU 579 15.092 20.464 10.529 583 1HB GLU 579 1HB GLU 579 17.034 20.665 9.085 584 2HB GLU 579 2HB GLU 579 16.601 18.988 9.356 585 1HG GLU 579 1HG GLU 579 15.838 20.500 6.865 586 2HG GLU 579 2HG GLU 579 17.354 19.636 7.020 587 H GLU 580 H GLU 580 13.203 20.911 7.627 588 HA GLU 580 HA GLU 580 13.811 23.764 7.849 589 1HB GLU 580 1HB GLU 580 13.968 24.131 5.512 590 2HB GLU 580 2HB GLU 580 14.962 22.736 5.829 591 1HG GLU 580 1HG GLU 580 12.206 22.728 4.575 592 2HG GLU 580 2HG GLU 580 13.717 22.570 3.717 593 H TYR 581 H TYR 581 12.081 25.030 6.420 594 HA TYR 581 HA TYR 581 9.492 24.141 7.390 595 1HB TYR 581 1HB TYR 581 8.707 26.313 6.869 596 2HB TYR 581 2HB TYR 581 10.388 26.647 7.255 597 HD1 TYR 581 HD1 TYR 581 7.812 26.917 4.806 598 HD2 TYR 581 HD2 TYR 581 12.041 26.822 5.256 599 HE1 TYR 581 HE1 TYR 581 8.065 27.876 2.568 600 HE2 TYR 581 HE2 TYR 581 12.300 27.782 3.025 601 HH TYR 581 HH TYR 581 9.694 29.179 1.325 602 H GLU 582 H GLU 582 7.793 23.671 5.851 603 HA GLU 582 HA GLU 582 8.814 23.188 3.135 604 1HB GLU 582 1HB GLU 582 7.837 21.009 3.061 605 2HB GLU 582 2HB GLU 582 8.820 21.098 4.515 606 1HG GLU 582 1HG GLU 582 6.673 21.664 5.718 607 2HG GLU 582 2HG GLU 582 5.849 21.135 4.250 608 H LYS 583 H LYS 583 6.978 22.698 1.669 609 HA LYS 583 HA LYS 583 4.714 24.420 2.326 610 1HB LYS 583 1HB LYS 583 5.227 22.956 -0.258 611 2HB LYS 583 2HB LYS 583 4.063 24.242 0.003 612 1HG LYS 583 1HG LYS 583 5.879 25.843 0.318 613 2HG LYS 583 2HG LYS 583 7.061 24.555 0.079 614 1HD LYS 583 1HD LYS 583 6.127 24.173 -2.184 615 2HD LYS 583 2HD LYS 583 5.034 25.533 -1.929 616 1HE LYS 583 1HE LYS 583 6.914 26.281 -3.230 617 2HE LYS 583 2HE LYS 583 7.006 26.999 -1.625 618 1HZ LYS 583 1HZ LYS 583 8.572 24.648 -2.563 619 2HZ LYS 583 2HZ LYS 583 8.696 25.332 -1.032 620 3HZ LYS 583 3HZ LYS 583 9.155 26.205 -2.377 621 H ASN 584 H ASN 584 5.467 21.541 1.327 622 HA ASN 584 HA ASN 584 4.041 19.898 3.051 623 1HB ASN 584 1HB ASN 584 2.517 20.569 0.585 624 2HB ASN 584 2HB ASN 584 2.469 18.889 1.087 625 1HD2 ASN 584 1HD2 ASN 584 2.464 19.415 3.937 626 2HD2 ASN 584 2HD2 ASN 584 0.939 20.137 4.292 627 H LYS 585 H LYS 585 5.881 18.493 2.987 628 HA LYS 585 HA LYS 585 6.390 17.479 0.337 629 1HB LYS 585 1HB LYS 585 8.358 16.184 1.276 630 2HB LYS 585 2HB LYS 585 8.513 17.917 1.380 631 1HG LYS 585 1HG LYS 585 9.437 16.788 3.335 632 2HG LYS 585 2HG LYS 585 8.080 17.813 3.783 633 1HD LYS 585 1HD LYS 585 6.633 15.862 3.926 634 2HD LYS 585 2HD LYS 585 7.961 14.834 3.373 635 1HE LYS 585 1HE LYS 585 7.440 14.929 5.903 636 2HE LYS 585 2HE LYS 585 9.116 15.022 5.374 637 1HZ LYS 585 1HZ LYS 585 7.627 17.538 5.768 638 2HZ LYS 585 2HZ LYS 585 9.286 17.156 5.960 639 3HZ LYS 585 3HZ LYS 585 8.192 16.708 7.114 640 H THR 586 H THR 586 6.708 15.069 0.075 641 HA THR 586 HA THR 586 4.929 13.531 1.689 642 HB THR 586 HB THR 586 3.283 14.632 0.294 643 HG1 THR 586 HG1 THR 586 3.082 12.380 0.585 644 1HG2 THR 586 1HG2 THR 586 4.720 15.399 -1.508 645 2HG2 THR 586 2HG2 THR 586 3.270 14.570 -2.084 646 3HG2 THR 586 3HG2 THR 586 4.837 13.732 -2.117 647 H PHE 587 H PHE 587 5.175 11.498 1.529 648 HA PHE 587 HA PHE 587 7.076 10.475 -0.372 649 1HB PHE 587 1HB PHE 587 7.721 8.815 1.566 650 2HB PHE 587 2HB PHE 587 8.501 10.377 1.447 651 HD1 PHE 587 HD1 PHE 587 5.759 8.561 3.278 652 HD2 PHE 587 HD2 PHE 587 8.498 11.815 3.224 653 HE1 PHE 587 HE1 PHE 587 5.264 9.058 5.674 654 HE2 PHE 587 HE2 PHE 587 8.003 12.273 5.579 655 HZ PHE 587 HZ PHE 587 6.388 10.882 6.792 656 H PHE 588 H PHE 588 6.765 8.323 -0.918 657 HA PHE 588 HA PHE 588 3.883 7.729 -0.771 658 1HB PHE 588 1HB PHE 588 5.743 6.685 -2.886 659 2HB PHE 588 2HB PHE 588 4.003 6.905 -2.947 660 HD1 PHE 588 HD1 PHE 588 3.270 9.480 -2.534 661 HD2 PHE 588 HD2 PHE 588 6.985 8.155 -4.096 662 HE1 PHE 588 HE1 PHE 588 3.602 11.684 -3.584 663 HE2 PHE 588 HE2 PHE 588 7.335 10.357 -5.152 664 HZ PHE 588 HZ PHE 588 5.639 12.123 -4.893 665 H LEU 589 H LEU 589 3.262 5.838 -0.011 666 HA LEU 589 HA LEU 589 5.365 3.903 0.677 667 1HB LEU 589 1HB LEU 589 3.458 4.871 2.324 668 2HB LEU 589 2HB LEU 589 2.540 3.582 1.573 669 HG LEU 589 HG LEU 589 3.400 2.849 3.686 670 1HD1 LEU 589 1HD1 LEU 589 4.671 0.857 3.045 671 2HD1 LEU 589 2HD1 LEU 589 4.826 1.501 1.409 672 3HD1 LEU 589 3HD1 LEU 589 3.233 1.110 2.063 673 1HD2 LEU 589 1HD2 LEU 589 5.825 2.653 4.076 674 2HD2 LEU 589 2HD2 LEU 589 5.242 4.309 3.924 675 3HD2 LEU 589 3HD2 LEU 589 6.097 3.550 2.583 676 H GLU 590 H GLU 590 5.474 2.164 -0.585 677 HA GLU 590 HA GLU 590 3.069 1.411 -2.064 678 1HB GLU 590 1HB GLU 590 4.629 2.678 -3.536 679 2HB GLU 590 2HB GLU 590 5.865 1.476 -3.203 680 1HG GLU 590 1HG GLU 590 4.452 -0.246 -4.226 681 2HG GLU 590 2HG GLU 590 3.237 0.978 -4.586 682 H ILE 591 H ILE 591 2.655 -0.641 -2.075 683 HA ILE 591 HA ILE 591 4.570 -2.447 -0.853 684 HB ILE 591 HB ILE 591 2.632 -4.041 -0.713 685 1HG1 ILE 591 1HG1 ILE 591 0.984 -1.640 -1.568 686 2HG1 ILE 591 2HG1 ILE 591 1.234 -3.100 -2.516 687 1HG2 ILE 591 1HG2 ILE 591 3.252 -2.770 1.227 688 2HG2 ILE 591 2HG2 ILE 591 1.496 -2.917 1.165 689 3HG2 ILE 591 3HG2 ILE 591 2.273 -1.406 0.693 690 1HD1 ILE 591 1HD1 ILE 591 -0.954 -3.082 -1.463 691 2HD1 ILE 591 2HD1 ILE 591 -0.200 -2.918 0.122 692 3HD1 ILE 591 3HD1 ILE 591 0.037 -4.394 -0.819 693 H GLY 592 H GLY 592 5.376 -4.091 -1.997 694 1HA GLY 592 1HA GLY 592 5.140 -3.750 -4.877 695 2HA GLY 592 2HA GLY 592 6.393 -4.647 -4.033 696 H GLU 593 H GLU 593 6.186 -6.377 -5.377 697 HA GLU 593 HA GLU 593 3.779 -7.738 -5.913 698 1HB GLU 593 1HB GLU 593 5.696 -7.999 -7.338 699 2HB GLU 593 2HB GLU 593 6.662 -8.638 -6.010 700 1HG GLU 593 1HG GLU 593 4.899 -10.500 -5.915 701 2HG GLU 593 2HG GLU 593 4.403 -9.888 -7.494 702 HA PRO 594 HA PRO 594 3.625 -9.748 -1.880 703 1HB PRO 594 1HB PRO 594 1.267 -11.069 -2.329 704 2HB PRO 594 2HB PRO 594 1.341 -9.386 -1.818 705 1HG PRO 594 1HG PRO 594 0.844 -10.509 -4.519 706 2HG PRO 594 2HG PRO 594 0.160 -9.072 -3.746 707 1HD PRO 594 1HD PRO 594 2.171 -9.037 -5.604 708 2HD PRO 594 2HD PRO 594 1.897 -7.750 -4.411 709 H ARG 595 H ARG 595 4.163 -11.807 -1.269 710 HA ARG 595 HA ARG 595 4.674 -13.658 -3.473 711 1HB ARG 595 1HB ARG 595 6.768 -14.312 -2.198 712 2HB ARG 595 2HB ARG 595 6.777 -12.736 -2.968 713 1HG ARG 595 1HG ARG 595 6.249 -11.692 -0.792 714 2HG ARG 595 2HG ARG 595 6.303 -13.303 -0.073 715 1HD ARG 595 1HD ARG 595 8.387 -11.954 0.250 716 2HD ARG 595 2HD ARG 595 8.644 -13.508 -0.534 717 HE ARG 595 HE ARG 595 8.408 -11.913 -2.641 718 1HH1 ARG 595 1HH1 ARG 595 10.160 -10.999 0.322 719 2HH1 ARG 595 2HH1 ARG 595 11.542 -10.512 -0.533 720 1HH2 ARG 595 1HH2 ARG 595 10.276 -11.227 -3.727 721 2HH2 ARG 595 2HH2 ARG 595 11.660 -10.680 -2.846 722 H LEU 596 H LEU 596 3.779 -15.543 -3.278 723 HA LEU 596 HA LEU 596 2.392 -16.297 -0.887 724 1HB LEU 596 1HB LEU 596 2.039 -16.755 -3.533 725 2HB LEU 596 2HB LEU 596 2.836 -18.247 -3.069 726 HG LEU 596 HG LEU 596 0.666 -18.882 -2.856 727 1HD1 LEU 596 1HD1 LEU 596 -0.110 -18.891 -0.596 728 2HD1 LEU 596 2HD1 LEU 596 1.117 -17.707 -0.162 729 3HD1 LEU 596 3HD1 LEU 596 1.596 -19.304 -0.742 730 1HD2 LEU 596 1HD2 LEU 596 -0.012 -16.082 -2.024 731 2HD2 LEU 596 2HD2 LEU 596 -1.179 -17.404 -2.123 732 3HD2 LEU 596 3HD2 LEU 596 -0.345 -16.844 -3.577 733 H VAL 597 H VAL 597 3.363 -17.432 0.698 734 HA VAL 597 HA VAL 597 6.014 -18.585 0.219 735 HB VAL 597 HB VAL 597 4.520 -18.475 2.835 736 1HG1 VAL 597 1HG1 VAL 597 7.459 -18.662 2.232 737 2HG1 VAL 597 2HG1 VAL 597 6.414 -19.959 2.814 738 3HG1 VAL 597 3HG1 VAL 597 6.740 -18.562 3.841 739 1HG2 VAL 597 1HG2 VAL 597 5.743 -16.402 3.334 740 2HG2 VAL 597 2HG2 VAL 597 4.589 -16.238 2.017 741 3HG2 VAL 597 3HG2 VAL 597 6.317 -16.357 1.659 742 H GLU 598 H GLU 598 2.777 -19.503 1.254 743 HA GLU 598 HA GLU 598 3.041 -22.193 0.520 744 1HB GLU 598 1HB GLU 598 2.758 -23.161 2.826 745 2HB GLU 598 2HB GLU 598 4.349 -22.494 2.511 746 1HG GLU 598 1HG GLU 598 3.844 -20.537 3.784 747 2HG GLU 598 2HG GLU 598 2.170 -21.056 3.992 748 H MET 599 H MET 599 1.034 -23.368 1.024 749 HA MET 599 HA MET 599 -1.310 -22.110 1.911 750 1HB MET 599 1HB MET 599 -2.450 -21.613 -0.247 751 2HB MET 599 2HB MET 599 -1.105 -20.535 0.086 752 1HG MET 599 1HG MET 599 0.289 -21.742 -1.496 753 2HG MET 599 2HG MET 599 -0.993 -22.916 -1.767 754 1HE MET 599 1HE MET 599 -0.761 -20.905 -5.148 755 2HE MET 599 2HE MET 599 -0.694 -22.502 -4.406 756 3HE MET 599 3HE MET 599 0.570 -21.320 -4.066 757 H SER 600 H SER 600 0.138 -24.364 -0.365 758 HA SER 600 HA SER 600 -1.787 -26.345 0.418 759 1HB SER 600 1HB SER 600 -1.358 -25.457 -2.412 760 2HB SER 600 2HB SER 600 -1.923 -27.080 -2.020 761 HG SER 600 HG SER 600 -3.213 -24.598 -1.650 762 H GLU 601 H GLU 601 -0.118 -27.147 1.534 763 HA GLU 601 HA GLU 601 2.196 -28.153 0.119 764 1HB GLU 601 1HB GLU 601 1.409 -28.263 3.046 765 2HB GLU 601 2HB GLU 601 2.899 -28.912 2.396 766 1HG GLU 601 1HG GLU 601 3.313 -26.789 3.495 767 2HG GLU 601 2HG GLU 601 3.615 -26.639 1.771 768 H LYS 602 H LYS 602 2.601 -30.318 -0.106 769 HA LYS 602 HA LYS 602 2.404 -32.550 -0.035 770 1HB LYS 602 1HB LYS 602 -0.030 -32.174 1.704 771 2HB LYS 602 2HB LYS 602 0.718 -33.718 1.332 772 1HG LYS 602 1HG LYS 602 2.739 -33.046 2.479 773 2HG LYS 602 2HG LYS 602 2.046 -31.451 2.795 774 1HD LYS 602 1HD LYS 602 0.247 -32.514 4.069 775 2HD LYS 602 2HD LYS 602 0.987 -34.087 3.786 776 1HE LYS 602 1HE LYS 602 3.006 -33.321 4.930 777 2HE LYS 602 2HE LYS 602 2.228 -31.776 5.245 778 1HZ LYS 602 1HZ LYS 602 2.058 -33.247 7.154 779 2HZ LYS 602 2HZ LYS 602 1.282 -34.408 6.233 780 3HZ LYS 602 3HZ LYS 602 0.534 -32.925 6.516 781 H LYS 603 H LYS 603 0.013 -30.549 -1.277 782 HA LYS 603 HA LYS 603 -0.489 -32.672 -3.179 783 1HB LYS 603 1HB LYS 603 -2.847 -32.531 -3.257 784 2HB LYS 603 2HB LYS 603 -2.446 -32.608 -1.563 785 1HG LYS 603 1HG LYS 603 -3.288 -30.147 -3.086 786 2HG LYS 603 2HG LYS 603 -4.328 -31.117 -2.063 787 1HD LYS 603 1HD LYS 603 -2.715 -30.511 -0.177 788 2HD LYS 603 2HD LYS 603 -2.063 -29.304 -1.292 789 1HE LYS 603 1HE LYS 603 -4.911 -29.520 -0.306 790 2HE LYS 603 2HE LYS 603 -3.748 -28.265 0.093 791 1HZ LYS 603 1HZ LYS 603 -4.866 -28.727 -2.644 792 2HZ LYS 603 2HZ LYS 603 -3.867 -27.437 -2.190 793 3HZ LYS 603 3HZ LYS 603 -5.396 -27.570 -1.561 794 H GLY 604 H GLY 604 1.138 -30.359 -3.116 795 1HA GLY 604 1HA GLY 604 -0.029 -28.708 -5.225 796 2HA GLY 604 2HA GLY 604 1.437 -28.338 -4.313 797 H GLY 605 H GLY 605 1.677 -31.487 -4.938 798 1HA GLY 605 1HA GLY 605 2.352 -32.746 -6.790 799 2HA GLY 605 2HA GLY 605 2.608 -31.246 -7.677 800 H PHE 606 H PHE 606 4.555 -32.871 -7.986 801 HA PHE 606 HA PHE 606 6.563 -32.444 -5.938 802 1HB PHE 606 1HB PHE 606 8.009 -33.902 -7.396 803 2HB PHE 606 2HB PHE 606 6.565 -34.688 -6.772 804 HD1 PHE 606 HD1 PHE 606 4.870 -35.485 -8.260 805 HD2 PHE 606 HD2 PHE 606 8.187 -33.284 -9.768 806 HE1 PHE 606 HE1 PHE 606 4.279 -36.168 -10.547 807 HE2 PHE 606 HE2 PHE 606 7.600 -33.957 -12.051 808 HZ PHE 606 HZ PHE 606 5.642 -35.402 -12.447 809 H THR 607 H THR 607 5.414 -30.849 -8.577 810 HA THR 607 HA THR 607 7.840 -29.709 -9.473 811 HB THR 607 HB THR 607 6.173 -28.010 -10.447 812 HG1 THR 607 HG1 THR 607 4.423 -28.374 -9.145 813 1HG2 THR 607 1HG2 THR 607 5.479 -29.579 -12.204 814 2HG2 THR 607 2HG2 THR 607 5.882 -30.934 -11.149 815 3HG2 THR 607 3HG2 THR 607 7.156 -29.864 -11.732 816 H ILE 608 H ILE 608 8.831 -27.975 -8.647 817 HA ILE 608 HA ILE 608 8.167 -27.128 -5.978 818 HB ILE 608 HB ILE 608 10.222 -25.842 -7.799 819 1HG1 ILE 608 1HG1 ILE 608 10.635 -28.261 -7.905 820 2HG1 ILE 608 2HG1 ILE 608 11.901 -27.463 -6.984 821 1HG2 ILE 608 1HG2 ILE 608 11.456 -25.429 -5.724 822 2HG2 ILE 608 2HG2 ILE 608 10.151 -26.182 -4.812 823 3HG2 ILE 608 3HG2 ILE 608 9.854 -24.690 -5.713 824 1HD1 ILE 608 1HD1 ILE 608 11.250 -29.568 -5.950 825 2HD1 ILE 608 2HD1 ILE 608 9.583 -29.011 -5.840 826 3HD1 ILE 608 3HD1 ILE 608 10.844 -28.202 -4.908 827 H THR 609 H THR 609 7.585 -24.938 -5.390 828 HA THR 609 HA THR 609 5.797 -23.587 -7.047 829 HB THR 609 HB THR 609 7.516 -22.349 -4.901 830 HG1 THR 609 HG1 THR 609 6.638 -23.897 -3.701 831 1HG2 THR 609 1HG2 THR 609 4.670 -21.792 -5.762 832 2HG2 THR 609 2HG2 THR 609 6.078 -20.806 -6.151 833 3HG2 THR 609 3HG2 THR 609 5.532 -20.942 -4.478 834 H GLU 610 H GLU 610 6.269 -22.309 -8.780 835 HA GLU 610 HA GLU 610 8.925 -22.097 -9.639 836 1HB GLU 610 1HB GLU 610 8.046 -20.710 -11.541 837 2HB GLU 610 2HB GLU 610 7.312 -22.289 -11.348 838 1HG GLU 610 1HG GLU 610 5.391 -21.221 -10.242 839 2HG GLU 610 2HG GLU 610 6.130 -19.649 -10.539 840 H GLU 611 H GLU 611 7.442 -20.195 -7.421 841 HA GLU 611 HA GLU 611 9.082 -17.865 -7.788 842 1HB GLU 611 1HB GLU 611 7.252 -18.876 -5.652 843 2HB GLU 611 2HB GLU 611 8.432 -17.650 -5.241 844 1HG GLU 611 1HG GLU 611 6.244 -16.780 -5.706 845 2HG GLU 611 2HG GLU 611 7.461 -16.122 -6.809 846 H TYR 612 H TYR 612 11.202 -18.077 -7.570 847 HA TYR 612 HA TYR 612 12.207 -19.808 -5.408 848 1HB TYR 612 1HB TYR 612 13.692 -19.050 -7.951 849 2HB TYR 612 2HB TYR 612 14.287 -20.109 -6.684 850 HD1 TYR 612 HD1 TYR 612 12.739 -19.977 -9.831 851 HD2 TYR 612 HD2 TYR 612 12.788 -22.249 -6.238 852 HE1 TYR 612 HE1 TYR 612 11.820 -21.901 -11.047 853 HE2 TYR 612 HE2 TYR 612 11.869 -24.185 -7.451 854 HH TYR 612 HH TYR 612 11.798 -24.344 -10.816 855 H ASP 613 H ASP 613 11.702 -17.905 -4.153 856 HA ASP 613 HA ASP 613 11.978 -15.895 -3.234 857 1HB ASP 613 1HB ASP 613 14.122 -16.826 -2.439 858 2HB ASP 613 2HB ASP 613 14.902 -16.345 -3.940 859 H ASP 614 H ASP 614 10.712 -15.088 -4.912 860 HA ASP 614 HA ASP 614 12.271 -13.656 -6.892 861 1HB ASP 614 1HB ASP 614 9.624 -14.976 -7.164 862 2HB ASP 614 2HB ASP 614 9.999 -13.596 -8.198 863 H LYS 615 H LYS 615 11.918 -11.705 -7.435 864 HA LYS 615 HA LYS 615 10.019 -10.111 -6.015 865 1HB LYS 615 1HB LYS 615 11.884 -8.360 -5.668 866 2HB LYS 615 2HB LYS 615 11.857 -9.730 -4.573 867 1HG LYS 615 1HG LYS 615 13.614 -9.650 -6.993 868 2HG LYS 615 2HG LYS 615 14.133 -8.954 -5.447 869 1HD LYS 615 1HD LYS 615 13.873 -11.167 -4.390 870 2HD LYS 615 2HD LYS 615 13.314 -11.841 -5.916 871 1HE LYS 615 1HE LYS 615 15.523 -11.273 -6.902 872 2HE LYS 615 2HE LYS 615 16.046 -10.731 -5.309 873 1HZ LYS 615 1HZ LYS 615 16.775 -12.991 -5.729 874 2HZ LYS 615 2HZ LYS 615 15.185 -13.496 -5.996 875 3HZ LYS 615 3HZ LYS 615 15.646 -13.031 -4.475 876 H GLN 616 H GLN 616 8.940 -10.068 -7.868 877 HA GLN 616 HA GLN 616 10.248 -8.873 -10.222 878 1HB GLN 616 1HB GLN 616 8.059 -10.944 -9.959 879 2HB GLN 616 2HB GLN 616 8.523 -10.239 -11.488 880 1HG GLN 616 1HG GLN 616 10.352 -11.838 -9.705 881 2HG GLN 616 2HG GLN 616 9.459 -12.494 -11.074 882 1HE2 GLN 616 1HE2 GLN 616 11.335 -13.105 -12.120 883 2HE2 GLN 616 2HE2 GLN 616 12.412 -11.964 -12.840 884 HA PRO 617 HA PRO 617 6.696 -6.015 -10.200 885 1HB PRO 617 1HB PRO 617 5.901 -6.030 -12.807 886 2HB PRO 617 2HB PRO 617 7.348 -5.164 -12.277 887 1HG PRO 617 1HG PRO 617 7.131 -7.890 -13.511 888 2HG PRO 617 2HG PRO 617 8.248 -6.576 -13.917 889 1HD PRO 617 1HD PRO 617 9.033 -8.605 -12.388 890 2HD PRO 617 2HD PRO 617 9.572 -6.957 -12.040 891 H LEU 618 H LEU 618 4.300 -6.108 -10.834 892 HA LEU 618 HA LEU 618 3.315 -8.630 -10.042 893 1HB LEU 618 1HB LEU 618 1.934 -6.106 -10.920 894 2HB LEU 618 2HB LEU 618 1.034 -7.570 -10.605 895 HG LEU 618 HG LEU 618 0.914 -6.110 -8.676 896 1HD1 LEU 618 1HD1 LEU 618 1.613 -7.594 -6.961 897 2HD1 LEU 618 2HD1 LEU 618 2.719 -8.414 -8.051 898 3HD1 LEU 618 3HD1 LEU 618 0.969 -8.526 -8.317 899 1HD2 LEU 618 1HD2 LEU 618 3.915 -6.306 -8.516 900 2HD2 LEU 618 2HD2 LEU 618 2.866 -5.509 -7.346 901 3HD2 LEU 618 3HD2 LEU 618 3.018 -4.858 -8.981 902 H THR 619 H THR 619 2.625 -10.268 -11.098 903 HA THR 619 HA THR 619 3.346 -10.634 -13.773 904 HB THR 619 HB THR 619 3.408 -12.463 -12.143 905 HG1 THR 619 HG1 THR 619 3.133 -13.777 -13.742 906 1HG2 THR 619 1HG2 THR 619 1.428 -11.910 -10.814 907 2HG2 THR 619 2HG2 THR 619 1.342 -13.575 -11.385 908 3HG2 THR 619 3HG2 THR 619 0.387 -12.321 -12.177 909 H SER 620 H SER 620 0.437 -9.304 -12.485 910 HA SER 620 HA SER 620 -1.218 -10.218 -14.565 911 1HB SER 620 1HB SER 620 -2.768 -8.458 -13.487 912 2HB SER 620 2HB SER 620 -2.327 -9.886 -12.548 913 HG SER 620 HG SER 620 -2.076 -7.511 -11.761 914 H LYS 621 H LYS 621 0.097 -9.544 -16.325 915 HA LYS 621 HA LYS 621 -0.311 -6.739 -17.082 916 1HB LYS 621 1HB LYS 621 2.160 -8.424 -17.552 917 2HB LYS 621 2HB LYS 621 1.900 -6.832 -18.246 918 1HG LYS 621 1HG LYS 621 2.132 -7.461 -15.306 919 2HG LYS 621 2HG LYS 621 3.394 -6.746 -16.307 920 1HD LYS 621 1HD LYS 621 1.926 -4.804 -16.727 921 2HD LYS 621 2HD LYS 621 0.692 -5.533 -15.708 922 1HE LYS 621 1HE LYS 621 1.916 -3.858 -14.459 923 2HE LYS 621 2HE LYS 621 2.222 -5.462 -13.800 924 1HZ LYS 621 1HZ LYS 621 4.374 -5.467 -14.965 925 2HZ LYS 621 2HZ LYS 621 4.241 -4.132 -13.953 926 3HZ LYS 621 3HZ LYS 621 4.042 -3.946 -15.594 927 H GLU 622 H GLU 622 0.893 -7.128 -19.695 928 HA GLU 622 HA GLU 622 -1.430 -7.712 -21.107 929 1HB GLU 622 1HB GLU 622 1.382 -7.518 -22.139 930 2HB GLU 622 2HB GLU 622 -0.055 -7.557 -23.147 931 1HG GLU 622 1HG GLU 622 -0.839 -5.499 -22.046 932 2HG GLU 622 2HG GLU 622 0.666 -5.454 -21.129 933 H GLU 623 H GLU 623 1.275 -9.863 -20.435 934 HA GLU 623 HA GLU 623 0.330 -11.820 -22.293 935 1HB GLU 623 1HB GLU 623 2.248 -12.143 -19.985 936 2HB GLU 623 2HB GLU 623 1.859 -13.434 -21.110 937 1HG GLU 623 1HG GLU 623 2.674 -11.911 -22.944 938 2HG GLU 623 2HG GLU 623 3.280 -10.848 -21.678 939 H GLU 624 H GLU 624 -1.357 -12.947 -22.199 940 HA GLU 624 HA GLU 624 -3.116 -12.824 -20.004 941 1HB GLU 624 1HB GLU 624 -4.641 -14.255 -21.354 942 2HB GLU 624 2HB GLU 624 -4.110 -12.792 -22.159 943 1HG GLU 624 1HG GLU 624 -2.867 -15.491 -22.657 944 2HG GLU 624 2HG GLU 624 -4.239 -14.877 -23.576 945 H GLU 625 H GLU 625 -0.620 -14.996 -20.557 946 HA GLU 625 HA GLU 625 -1.641 -17.328 -19.363 947 1HB GLU 625 1HB GLU 625 0.575 -17.205 -20.503 948 2HB GLU 625 2HB GLU 625 1.193 -16.261 -19.155 949 1HG GLU 625 1HG GLU 625 0.720 -18.172 -17.658 950 2HG GLU 625 2HG GLU 625 0.216 -19.104 -19.064 951 H ARG 626 H ARG 626 -0.944 -14.256 -18.118 952 HA ARG 626 HA ARG 626 -0.392 -14.598 -15.472 953 1HB ARG 626 1HB ARG 626 -1.506 -12.534 -15.035 954 2HB ARG 626 2HB ARG 626 -0.509 -12.443 -16.502 955 1HG ARG 626 1HG ARG 626 -2.433 -12.354 -17.872 956 2HG ARG 626 2HG ARG 626 -3.494 -12.841 -16.537 957 1HD ARG 626 1HD ARG 626 -2.941 -10.837 -15.351 958 2HD ARG 626 2HD ARG 626 -1.865 -10.327 -16.644 959 HE ARG 626 HE ARG 626 -3.879 -10.178 -18.043 960 1HH1 ARG 626 1HH1 ARG 626 -4.471 -10.331 -14.552 961 2HH1 ARG 626 2HH1 ARG 626 -5.663 -9.123 -14.540 962 1HH2 ARG 626 1HH2 ARG 626 -5.633 -8.535 -18.036 963 2HH2 ARG 626 2HH2 ARG 626 -6.333 -8.086 -16.553 964 H ARG 627 H ARG 627 -3.362 -15.072 -17.091 965 HA ARG 627 HA ARG 627 -5.147 -15.158 -14.895 966 1HB ARG 627 1HB ARG 627 -5.277 -16.779 -17.444 967 2HB ARG 627 2HB ARG 627 -6.628 -16.514 -16.341 968 1HG ARG 627 1HG ARG 627 -6.541 -14.130 -16.810 969 2HG ARG 627 2HG ARG 627 -5.174 -14.381 -17.898 970 1HD ARG 627 1HD ARG 627 -7.170 -14.146 -19.207 971 2HD ARG 627 2HD ARG 627 -6.656 -15.827 -19.284 972 HE ARG 627 HE ARG 627 -8.418 -15.769 -17.224 973 1HH1 ARG 627 1HH1 ARG 627 -8.606 -14.854 -20.640 974 2HH1 ARG 627 2HH1 ARG 627 -10.277 -15.129 -20.765 975 1HH2 ARG 627 1HH2 ARG 627 -10.719 -16.152 -17.399 976 2HH2 ARG 627 2HH2 ARG 627 -11.506 -15.885 -18.883 977 H ILE 628 H ILE 628 -2.990 -17.606 -16.192 978 HA ILE 628 HA ILE 628 -3.821 -19.682 -14.392 979 HB ILE 628 HB ILE 628 -1.332 -19.307 -16.076 980 1HG1 ILE 628 1HG1 ILE 628 -3.747 -21.049 -16.597 981 2HG1 ILE 628 2HG1 ILE 628 -3.490 -19.463 -17.316 982 1HG2 ILE 628 1HG2 ILE 628 -0.873 -20.793 -14.248 983 2HG2 ILE 628 2HG2 ILE 628 -0.937 -21.716 -15.753 984 3HG2 ILE 628 3HG2 ILE 628 -2.296 -21.767 -14.619 985 1HD1 ILE 628 1HD1 ILE 628 -2.893 -21.265 -18.838 986 2HD1 ILE 628 2HD1 ILE 628 -1.689 -21.845 -17.674 987 3HD1 ILE 628 3HD1 ILE 628 -1.520 -20.246 -18.411 988 H ALA 629 H ALA 629 -1.254 -17.336 -14.640 989 HA ALA 629 HA ALA 629 0.282 -18.053 -12.438 990 1HB ALA 629 1HB ALA 629 1.228 -15.802 -12.594 991 2HB ALA 629 2HB ALA 629 -0.133 -15.300 -13.588 992 3HB ALA 629 3HB ALA 629 0.998 -16.510 -14.197 993 H GLU 630 H GLU 630 -2.373 -15.784 -12.713 994 HA GLU 630 HA GLU 630 -2.323 -14.804 -10.077 995 1HB GLU 630 1HB GLU 630 -4.406 -14.744 -12.245 996 2HB GLU 630 2HB GLU 630 -4.679 -14.015 -10.670 997 1HG GLU 630 1HG GLU 630 -2.803 -12.499 -11.069 998 2HG GLU 630 2HG GLU 630 -2.516 -13.266 -12.633 999 H MET 631 H MET 631 -3.385 -17.824 -11.249 1000 HA MET 631 HA MET 631 -5.534 -18.118 -9.415 1001 1HB MET 631 1HB MET 631 -5.625 -19.170 -11.584 1002 2HB MET 631 2HB MET 631 -4.087 -19.967 -11.298 1003 1HG MET 631 1HG MET 631 -5.019 -21.271 -9.600 1004 2HG MET 631 2HG MET 631 -6.572 -20.426 -9.724 1005 1HE MET 631 1HE MET 631 -4.857 -23.138 -13.078 1006 2HE MET 631 2HE MET 631 -4.007 -22.787 -11.570 1007 3HE MET 631 3HE MET 631 -4.258 -21.514 -12.763 1008 H GLY 632 H GLY 632 -2.131 -18.713 -9.602 1009 1HA GLY 632 1HA GLY 632 -2.166 -20.137 -7.039 1010 2HA GLY 632 2HA GLY 632 -0.806 -20.063 -8.146 1011 H ARG 633 H ARG 633 -0.757 -17.356 -8.637 1012 HA ARG 633 HA ARG 633 0.692 -16.465 -6.296 1013 1HB ARG 633 1HB ARG 633 0.383 -15.376 -9.074 1014 2HB ARG 633 2HB ARG 633 1.387 -14.648 -7.833 1015 1HG ARG 633 1HG ARG 633 2.835 -16.508 -7.803 1016 2HG ARG 633 2HG ARG 633 1.731 -17.455 -8.807 1017 1HD ARG 633 1HD ARG 633 2.062 -16.027 -10.651 1018 2HD ARG 633 2HD ARG 633 2.976 -14.877 -9.685 1019 HE ARG 633 HE ARG 633 4.648 -16.671 -9.387 1020 1HH1 ARG 633 1HH1 ARG 633 2.536 -17.008 -12.192 1021 2HH1 ARG 633 2HH1 ARG 633 3.746 -17.707 -13.164 1022 1HH2 ARG 633 1HH2 ARG 633 6.197 -17.536 -10.628 1023 2HH2 ARG 633 2HH2 ARG 633 5.897 -18.108 -12.230 1024 HA PRO 634 HA PRO 634 -2.357 -13.292 -5.446 1025 1HB PRO 634 1HB PRO 634 -1.013 -11.856 -3.659 1026 2HB PRO 634 2HB PRO 634 -1.627 -13.455 -3.280 1027 1HG PRO 634 1HG PRO 634 1.195 -12.648 -3.734 1028 2HG PRO 634 2HG PRO 634 0.545 -14.038 -2.860 1029 1HD PRO 634 1HD PRO 634 1.572 -13.941 -5.529 1030 2HD PRO 634 2HD PRO 634 0.913 -15.333 -4.650 1031 H ILE 635 H ILE 635 -2.480 -10.753 -5.445 1032 HA ILE 635 HA ILE 635 -0.482 -9.558 -7.125 1033 HB ILE 635 HB ILE 635 -2.328 -8.628 -8.662 1034 1HG1 ILE 635 1HG1 ILE 635 -4.115 -10.337 -9.237 1035 2HG1 ILE 635 2HG1 ILE 635 -3.690 -11.183 -7.762 1036 1HG2 ILE 635 1HG2 ILE 635 -1.303 -11.426 -9.008 1037 2HG2 ILE 635 2HG2 ILE 635 -0.517 -9.927 -9.506 1038 3HG2 ILE 635 3HG2 ILE 635 -2.009 -10.445 -10.291 1039 1HD1 ILE 635 1HD1 ILE 635 -5.694 -9.848 -7.485 1040 2HD1 ILE 635 2HD1 ILE 635 -4.809 -8.393 -7.946 1041 3HD1 ILE 635 3HD1 ILE 635 -4.395 -9.240 -6.456 1042 H LEU 636 H LEU 636 -1.351 -7.239 -7.813 1043 HA LEU 636 HA LEU 636 -1.787 -5.925 -5.298 1044 1HB LEU 636 1HB LEU 636 -1.123 -3.894 -6.371 1045 2HB LEU 636 2HB LEU 636 -0.047 -5.129 -6.955 1046 HG LEU 636 HG LEU 636 -0.376 -3.841 -8.811 1047 1HD1 LEU 636 1HD1 LEU 636 -1.826 -4.915 -10.433 1048 2HD1 LEU 636 2HD1 LEU 636 -2.535 -5.845 -9.106 1049 3HD1 LEU 636 3HD1 LEU 636 -0.839 -6.066 -9.518 1050 1HD2 LEU 636 1HD2 LEU 636 -3.277 -3.472 -8.105 1051 2HD2 LEU 636 2HD2 LEU 636 -2.488 -2.815 -9.539 1052 3HD2 LEU 636 3HD2 LEU 636 -1.983 -2.285 -7.934 1053 H GLY 637 H GLY 637 -3.479 -4.495 -4.919 1054 1HA GLY 637 1HA GLY 637 -5.925 -5.445 -6.156 1055 2HA GLY 637 2HA GLY 637 -5.837 -4.534 -4.676 1056 H GLU 638 H GLU 638 -6.890 -2.749 -4.901 1057 HA GLU 638 HA GLU 638 -7.539 -1.657 -7.405 1058 1HB GLU 638 1HB GLU 638 -9.030 -1.633 -5.435 1059 2HB GLU 638 2HB GLU 638 -7.930 -0.525 -4.645 1060 1HG GLU 638 1HG GLU 638 -9.900 0.613 -5.588 1061 2HG GLU 638 2HG GLU 638 -8.383 1.173 -6.300 1062 H HIS 639 H HIS 639 -5.658 -0.332 -4.707 1063 HA HIS 639 HA HIS 639 -3.986 0.975 -6.634 1064 1HB HIS 639 1HB HIS 639 -4.140 3.213 -5.430 1065 2HB HIS 639 2HB HIS 639 -5.515 2.771 -6.423 1066 HD1 HIS 639 HD1 HIS 639 -4.522 2.983 -2.746 1067 HD2 HIS 639 HD2 HIS 639 -7.907 2.780 -5.142 1068 HE1 HIS 639 HE1 HIS 639 -6.488 3.362 -1.222 1069 H THR 640 H THR 640 -2.092 0.295 -6.145 1070 HA THR 640 HA THR 640 -1.412 0.220 -3.340 1071 HB THR 640 HB THR 640 0.583 -1.114 -4.142 1072 HG1 THR 640 HG1 THR 640 0.013 -0.201 -6.466 1073 1HG2 THR 640 1HG2 THR 640 -2.116 -2.210 -4.955 1074 2HG2 THR 640 2HG2 THR 640 -1.499 -2.165 -3.311 1075 3HG2 THR 640 3HG2 THR 640 -0.687 -3.159 -4.520 1076 H LYS 641 H LYS 641 -1.157 2.325 -3.005 1077 HA LYS 641 HA LYS 641 1.273 3.605 -3.514 1078 1HB LYS 641 1HB LYS 641 -0.029 3.844 -5.788 1079 2HB LYS 641 2HB LYS 641 -1.124 4.862 -4.868 1080 1HG LYS 641 1HG LYS 641 1.827 5.443 -5.248 1081 2HG LYS 641 2HG LYS 641 0.549 6.134 -6.241 1082 1HD LYS 641 1HD LYS 641 -0.374 7.185 -4.185 1083 2HD LYS 641 2HD LYS 641 0.982 6.511 -3.279 1084 1HE LYS 641 1HE LYS 641 1.536 8.781 -3.785 1085 2HE LYS 641 2HE LYS 641 2.518 7.759 -4.826 1086 1HZ LYS 641 1HZ LYS 641 0.068 9.246 -5.596 1087 2HZ LYS 641 2HZ LYS 641 0.882 8.181 -6.619 1088 3HZ LYS 641 3HZ LYS 641 1.643 9.589 -6.081 1089 H LEU 642 H LEU 642 1.364 4.697 -1.663 1090 HA LEU 642 HA LEU 642 -1.094 5.910 -0.621 1091 1HB LEU 642 1HB LEU 642 -0.362 4.079 0.828 1092 2HB LEU 642 2HB LEU 642 1.243 4.795 0.882 1093 HG LEU 642 HG LEU 642 0.208 6.810 1.945 1094 1HD1 LEU 642 1HD1 LEU 642 -1.901 6.542 3.096 1095 2HD1 LEU 642 2HD1 LEU 642 -2.143 4.988 2.310 1096 3HD1 LEU 642 3HD1 LEU 642 -2.104 6.479 1.344 1097 1HD2 LEU 642 1HD2 LEU 642 0.101 5.832 4.121 1098 2HD2 LEU 642 2HD2 LEU 642 1.486 5.212 3.208 1099 3HD2 LEU 642 3HD2 LEU 642 0.041 4.212 3.422 1100 H GLU 643 H GLU 643 -0.911 7.944 -0.993 1101 HA GLU 643 HA GLU 643 1.675 9.244 -1.117 1102 1HB GLU 643 1HB GLU 643 -0.272 9.417 -2.803 1103 2HB GLU 643 2HB GLU 643 -1.054 10.382 -1.570 1104 1HG GLU 643 1HG GLU 643 0.648 12.051 -1.716 1105 2HG GLU 643 2HG GLU 643 1.583 11.046 -2.827 1106 H VAL 644 H VAL 644 2.338 9.602 0.989 1107 HA VAL 644 HA VAL 644 0.411 10.522 2.962 1108 HB VAL 644 HB VAL 644 3.377 10.064 3.255 1109 1HG1 VAL 644 1HG1 VAL 644 1.210 10.163 5.346 1110 2HG1 VAL 644 2HG1 VAL 644 2.314 11.470 4.948 1111 3HG1 VAL 644 3HG1 VAL 644 2.948 9.980 5.630 1112 1HG2 VAL 644 1HG2 VAL 644 1.143 8.132 3.843 1113 2HG2 VAL 644 2HG2 VAL 644 2.862 7.867 4.150 1114 3HG2 VAL 644 3HG2 VAL 644 2.270 8.015 2.496 1115 H ILE 645 H ILE 645 0.013 12.652 2.775 1116 HA ILE 645 HA ILE 645 2.257 14.377 2.147 1117 HB ILE 645 HB ILE 645 -0.695 15.083 2.422 1118 1HG1 ILE 645 1HG1 ILE 645 -0.281 15.713 -0.104 1119 2HG1 ILE 645 2HG1 ILE 645 1.092 14.650 0.048 1120 1HG2 ILE 645 1HG2 ILE 645 1.613 16.844 1.626 1121 2HG2 ILE 645 2HG2 ILE 645 0.687 16.946 3.123 1122 3HG2 ILE 645 3HG2 ILE 645 -0.091 17.306 1.577 1123 1HD1 ILE 645 1HD1 ILE 645 -0.379 12.792 0.636 1124 2HD1 ILE 645 2HD1 ILE 645 -0.818 13.491 -0.918 1125 3HD1 ILE 645 3HD1 ILE 645 -1.771 13.861 0.510 1126 H ILE 646 H ILE 646 3.315 15.378 3.679 1127 HA ILE 646 HA ILE 646 2.308 15.103 6.405 1128 HB ILE 646 HB ILE 646 5.162 15.757 5.526 1129 1HG1 ILE 646 1HG1 ILE 646 5.657 13.377 6.355 1130 2HG1 ILE 646 2HG1 ILE 646 3.931 13.096 6.225 1131 1HG2 ILE 646 1HG2 ILE 646 5.783 15.146 7.796 1132 2HG2 ILE 646 2HG2 ILE 646 4.101 14.830 8.177 1133 3HG2 ILE 646 3HG2 ILE 646 4.621 16.484 7.800 1134 1HD1 ILE 646 1HD1 ILE 646 5.765 13.872 3.977 1135 2HD1 ILE 646 2HD1 ILE 646 4.032 13.564 3.846 1136 3HD1 ILE 646 3HD1 ILE 646 5.128 12.261 4.302 1137 H GLU 647 H GLU 647 1.906 16.901 7.566 1138 HA GLU 647 HA GLU 647 2.421 19.410 6.160 1139 1HB GLU 647 1HB GLU 647 0.162 18.875 8.063 1140 2HB GLU 647 2HB GLU 647 0.369 20.263 7.004 1141 1HG GLU 647 1HG GLU 647 0.238 18.542 5.066 1142 2HG GLU 647 2HG GLU 647 -0.368 17.455 6.289 1143 H GLU 648 H GLU 648 3.111 21.123 7.351 1144 HA GLU 648 HA GLU 648 4.724 20.718 9.621 1145 1HB GLU 648 1HB GLU 648 3.395 23.260 8.640 1146 2HB GLU 648 2HB GLU 648 4.803 23.147 9.684 1147 1HG GLU 648 1HG GLU 648 4.889 21.925 6.970 1148 2HG GLU 648 2HG GLU 648 5.075 23.660 7.142 1149 H SER 649 H SER 649 4.184 20.978 11.841 1150 HA SER 649 HA SER 649 1.533 20.357 12.407 1151 1HB SER 649 1HB SER 649 3.444 19.552 13.738 1152 2HB SER 649 2HB SER 649 3.659 21.178 14.388 1153 HG SER 649 HG SER 649 1.197 19.822 14.547 1154 H TYR 650 H TYR 650 -0.086 21.496 12.662 1155 HA TYR 650 HA TYR 650 -0.064 23.994 14.081 1156 1HB TYR 650 1HB TYR 650 0.045 24.830 11.762 1157 2HB TYR 650 2HB TYR 650 -1.205 23.708 11.255 1158 HD1 TYR 650 HD1 TYR 650 -0.547 26.936 12.920 1159 HD2 TYR 650 HD2 TYR 650 -3.542 24.150 11.776 1160 HE1 TYR 650 HE1 TYR 650 -2.300 28.636 13.324 1161 HE2 TYR 650 HE2 TYR 650 -5.276 25.794 12.169 1162 HH TYR 650 HH TYR 650 -5.463 27.862 13.697 1163 H GLU 651 H GLU 651 -2.317 22.268 12.018 1164 HA GLU 651 HA GLU 651 -3.739 20.756 13.850 1165 1HB GLU 651 1HB GLU 651 -4.785 23.539 13.298 1166 2HB GLU 651 2HB GLU 651 -5.922 22.216 13.435 1167 1HG GLU 651 1HG GLU 651 -3.951 23.037 15.552 1168 2HG GLU 651 2HG GLU 651 -5.653 23.502 15.513 1169 H PHE 652 H PHE 652 -5.964 20.257 12.568 1170 HA PHE 652 HA PHE 652 -5.023 19.942 9.814 1171 1HB PHE 652 1HB PHE 652 -5.569 17.855 11.039 1172 2HB PHE 652 2HB PHE 652 -7.237 18.423 11.195 1173 HD1 PHE 652 HD1 PHE 652 -4.636 17.407 8.787 1174 HD2 PHE 652 HD2 PHE 652 -8.777 18.155 9.404 1175 HE1 PHE 652 HE1 PHE 652 -5.130 16.438 6.597 1176 HE2 PHE 652 HE2 PHE 652 -9.288 17.177 7.211 1177 HZ PHE 652 HZ PHE 652 -7.461 16.313 5.797 1178 H LYS 653 H LYS 653 -5.757 21.284 8.498 1179 HA LYS 653 HA LYS 653 -8.427 22.452 8.916 1180 1HB LYS 653 1HB LYS 653 -6.030 23.824 7.672 1181 2HB LYS 653 2HB LYS 653 -7.604 24.546 7.950 1182 1HG LYS 653 1HG LYS 653 -5.653 23.653 10.082 1183 2HG LYS 653 2HG LYS 653 -5.967 25.313 9.591 1184 1HD LYS 653 1HD LYS 653 -8.009 23.451 10.802 1185 2HD LYS 653 2HD LYS 653 -7.098 24.653 11.708 1186 1HE LYS 653 1HE LYS 653 -8.079 26.424 10.337 1187 2HE LYS 653 2HE LYS 653 -8.974 25.229 9.416 1188 1HZ LYS 653 1HZ LYS 653 -10.191 24.629 11.409 1189 2HZ LYS 653 2HZ LYS 653 -10.303 26.295 11.145 1190 3HZ LYS 653 3HZ LYS 653 -9.280 25.708 12.328 1191 H SER 654 H SER 654 -9.326 23.298 6.821 1192 HA SER 654 HA SER 654 -8.261 22.175 4.418 1193 1HB SER 654 1HB SER 654 -9.538 20.244 5.429 1194 2HB SER 654 2HB SER 654 -10.995 21.229 5.369 1195 HG SER 654 HG SER 654 -9.403 20.525 3.138 1196 H THR 655 H THR 655 -11.477 23.245 5.575 1197 HA THR 655 HA THR 655 -11.361 25.395 3.587 1198 HB THR 655 HB THR 655 -13.831 24.119 4.795 1199 HG1 THR 655 HG1 THR 655 -12.424 23.584 2.381 1200 1HG2 THR 655 1HG2 THR 655 -14.983 25.207 2.927 1201 2HG2 THR 655 2HG2 THR 655 -13.452 25.855 2.350 1202 3HG2 THR 655 3HG2 THR 655 -14.112 26.399 3.893 1203 H VAL 656 H VAL 656 -10.664 27.116 4.786 1204 HA VAL 656 HA VAL 656 -11.564 27.490 7.496 1205 HB VAL 656 HB VAL 656 -9.856 29.281 5.742 1206 1HG1 VAL 656 1HG1 VAL 656 -10.936 30.580 7.492 1207 2HG1 VAL 656 2HG1 VAL 656 -9.213 30.412 7.837 1208 3HG1 VAL 656 3HG1 VAL 656 -10.389 29.424 8.705 1209 1HG2 VAL 656 1HG2 VAL 656 -7.972 28.443 7.076 1210 2HG2 VAL 656 2HG2 VAL 656 -8.785 27.141 6.207 1211 3HG2 VAL 656 3HG2 VAL 656 -9.069 27.360 7.933 1212 H ASP 657 H ASP 657 -13.370 28.404 8.007 1213 HA ASP 657 HA ASP 657 -14.557 30.440 6.244 1214 1HB ASP 657 1HB ASP 657 -15.688 28.308 5.793 1215 2HB ASP 657 2HB ASP 657 -16.049 28.132 7.505 Start of MODEL 19 1 1H HIS 501 1H HIS 501 -7.368 -14.222 -8.871 2 HA HIS 501 HA HIS 501 -7.634 -13.559 -6.737 3 1HB HIS 501 1HB HIS 501 -9.943 -14.360 -7.262 4 2HB HIS 501 2HB HIS 501 -9.519 -15.934 -6.614 5 HD1 HIS 501 HD1 HIS 501 -11.636 -13.487 -5.600 6 HD2 HIS 501 HD2 HIS 501 -8.268 -15.043 -3.723 7 HE1 HIS 501 HE1 HIS 501 -11.936 -13.059 -3.156 8 H ALA 502 H ALA 502 -5.645 -13.930 -5.889 9 HA ALA 502 HA ALA 502 -5.500 -16.278 -4.101 10 1HB ALA 502 1HB ALA 502 -3.709 -16.333 -5.816 11 2HB ALA 502 2HB ALA 502 -3.081 -16.123 -4.174 12 3HB ALA 502 3HB ALA 502 -3.171 -14.743 -5.249 13 H GLY 503 H GLY 503 -4.083 -13.086 -4.550 14 1HA GLY 503 1HA GLY 503 -5.014 -12.451 -1.913 15 2HA GLY 503 2HA GLY 503 -3.284 -12.262 -2.229 16 H ILE 504 H ILE 504 -6.024 -10.743 -1.983 17 HA ILE 504 HA ILE 504 -5.344 -8.721 -3.977 18 HB ILE 504 HB ILE 504 -7.870 -9.159 -2.362 19 1HG1 ILE 504 1HG1 ILE 504 -8.980 -9.251 -4.669 20 2HG1 ILE 504 2HG1 ILE 504 -7.364 -9.342 -5.344 21 1HG2 ILE 504 1HG2 ILE 504 -7.453 -6.776 -2.510 22 2HG2 ILE 504 2HG2 ILE 504 -8.843 -7.192 -3.516 23 3HG2 ILE 504 3HG2 ILE 504 -7.269 -6.888 -4.257 24 1HD1 ILE 504 1HD1 ILE 504 -8.407 -11.528 -5.222 25 2HD1 ILE 504 2HD1 ILE 504 -8.641 -11.339 -3.484 26 3HD1 ILE 504 3HD1 ILE 504 -7.011 -11.453 -4.146 27 H PHE 505 H PHE 505 -3.787 -7.551 -3.017 28 HA PHE 505 HA PHE 505 -4.345 -6.595 -0.304 29 1HB PHE 505 1HB PHE 505 -1.719 -6.963 -1.725 30 2HB PHE 505 2HB PHE 505 -1.886 -6.270 -0.107 31 HD1 PHE 505 HD1 PHE 505 -1.367 -9.243 -1.946 32 HD2 PHE 505 HD2 PHE 505 -3.152 -7.755 1.614 33 HE1 PHE 505 HE1 PHE 505 -1.348 -11.508 -0.982 34 HE2 PHE 505 HE2 PHE 505 -3.125 -10.012 2.576 35 HZ PHE 505 HZ PHE 505 -2.221 -11.892 1.276 36 H THR 506 H THR 506 -4.753 -4.497 -0.139 37 HA THR 506 HA THR 506 -3.686 -2.636 -2.062 38 HB THR 506 HB THR 506 -5.790 -3.419 -3.104 39 HG1 THR 506 HG1 THR 506 -6.363 -0.828 -2.128 40 1HG2 THR 506 1HG2 THR 506 -7.978 -2.965 -2.063 41 2HG2 THR 506 2HG2 THR 506 -7.160 -2.399 -0.607 42 3HG2 THR 506 3HG2 THR 506 -7.025 -4.090 -1.094 43 H PHE 507 H PHE 507 -4.146 -0.390 -1.289 44 HA PHE 507 HA PHE 507 -4.378 -0.279 1.615 45 1HB PHE 507 1HB PHE 507 -3.754 1.859 -0.441 46 2HB PHE 507 2HB PHE 507 -3.882 2.155 1.282 47 HD1 PHE 507 HD1 PHE 507 -1.794 1.099 -1.402 48 HD2 PHE 507 HD2 PHE 507 -2.225 1.070 2.814 49 HE1 PHE 507 HE1 PHE 507 0.609 0.618 -1.168 50 HE2 PHE 507 HE2 PHE 507 0.167 0.592 3.068 51 HZ PHE 507 HZ PHE 507 1.587 0.360 1.071 52 H GLU 508 H GLU 508 -5.895 1.287 2.497 53 HA GLU 508 HA GLU 508 -8.310 1.487 0.883 54 1HB GLU 508 1HB GLU 508 -7.841 1.012 3.643 55 2HB GLU 508 2HB GLU 508 -8.574 2.605 3.526 56 1HG GLU 508 1HG GLU 508 -9.702 0.037 2.426 57 2HG GLU 508 2HG GLU 508 -10.274 0.931 3.834 58 H GLU 509 H GLU 509 -5.729 3.215 2.267 59 HA GLU 509 HA GLU 509 -6.849 5.784 1.535 60 1HB GLU 509 1HB GLU 509 -4.407 4.955 3.037 61 2HB GLU 509 2HB GLU 509 -4.572 6.567 2.381 62 1HG GLU 509 1HG GLU 509 -5.090 6.619 4.578 63 2HG GLU 509 2HG GLU 509 -6.585 6.842 3.667 64 HA PRO 510 HA PRO 510 -4.116 5.600 -1.992 65 1HB PRO 510 1HB PRO 510 -5.368 7.841 -3.165 66 2HB PRO 510 2HB PRO 510 -5.659 6.157 -3.581 67 1HG PRO 510 1HG PRO 510 -7.462 7.955 -2.295 68 2HG PRO 510 2HG PRO 510 -7.710 6.242 -2.653 69 1HD PRO 510 1HD PRO 510 -7.036 7.539 -0.108 70 2HD PRO 510 2HD PRO 510 -7.679 5.913 -0.415 71 H VAL 511 H VAL 511 -5.089 7.912 0.276 72 HA VAL 511 HA VAL 511 -2.597 9.414 0.270 73 HB VAL 511 HB VAL 511 -5.366 10.693 0.108 74 1HG1 VAL 511 1HG1 VAL 511 -2.708 12.014 0.363 75 2HG1 VAL 511 2HG1 VAL 511 -3.932 11.862 1.619 76 3HG1 VAL 511 3HG1 VAL 511 -4.265 12.828 0.176 77 1HG2 VAL 511 1HG2 VAL 511 -3.116 10.960 -1.861 78 2HG2 VAL 511 2HG2 VAL 511 -4.713 11.719 -1.956 79 3HG2 VAL 511 3HG2 VAL 511 -4.554 9.956 -2.066 80 H THR 512 H THR 512 -2.075 9.906 2.329 81 HA THR 512 HA THR 512 -4.197 9.996 4.281 82 HB THR 512 HB THR 512 -3.149 7.700 4.481 83 HG1 THR 512 HG1 THR 512 -3.116 7.721 6.621 84 1HG2 THR 512 1HG2 THR 512 -0.685 9.221 5.317 85 2HG2 THR 512 2HG2 THR 512 -0.872 8.303 3.821 86 3HG2 THR 512 3HG2 THR 512 -0.884 7.468 5.389 87 H HIS 513 H HIS 513 -4.127 11.916 5.158 88 HA HIS 513 HA HIS 513 -1.655 13.424 5.105 89 1HB HIS 513 1HB HIS 513 -4.488 14.211 5.750 90 2HB HIS 513 2HB HIS 513 -3.146 15.250 6.212 91 HD1 HIS 513 HD1 HIS 513 -2.741 17.042 4.526 92 HD2 HIS 513 HD2 HIS 513 -4.197 13.544 2.807 93 HE1 HIS 513 HE1 HIS 513 -2.845 17.453 2.023 94 H VAL 514 H VAL 514 -0.365 13.773 6.709 95 HA VAL 514 HA VAL 514 -1.205 12.961 9.410 96 HB VAL 514 HB VAL 514 0.951 11.945 9.823 97 1HG1 VAL 514 1HG1 VAL 514 -0.249 10.815 7.304 98 2HG1 VAL 514 2HG1 VAL 514 -0.739 10.441 8.956 99 3HG1 VAL 514 3HG1 VAL 514 0.857 9.962 8.374 100 1HG2 VAL 514 1HG2 VAL 514 1.631 12.570 6.948 101 2HG2 VAL 514 2HG2 VAL 514 2.621 11.606 8.044 102 3HG2 VAL 514 3HG2 VAL 514 2.346 13.317 8.377 103 H SER 515 H SER 515 0.117 13.804 11.062 104 HA SER 515 HA SER 515 0.513 16.597 10.599 105 1HB SER 515 1HB SER 515 0.549 14.783 12.979 106 2HB SER 515 2HB SER 515 0.642 16.531 13.046 107 HG SER 515 HG SER 515 -1.414 16.168 11.594 108 H GLU 516 H GLU 516 2.534 17.574 11.588 109 HA GLU 516 HA GLU 516 4.838 15.899 11.031 110 1HB GLU 516 1HB GLU 516 4.715 18.214 10.138 111 2HB GLU 516 2HB GLU 516 4.747 18.819 11.790 112 1HG GLU 516 1HG GLU 516 6.928 17.655 12.092 113 2HG GLU 516 2HG GLU 516 6.876 17.258 10.396 114 H SER 517 H SER 517 3.087 17.113 13.746 115 HA SER 517 HA SER 517 5.272 16.917 15.633 116 1HB SER 517 1HB SER 517 2.320 17.357 16.119 117 2HB SER 517 2HB SER 517 3.648 17.733 17.221 118 HG SER 517 HG SER 517 4.348 19.307 15.822 119 H ILE 518 H ILE 518 4.238 14.602 14.116 120 HA ILE 518 HA ILE 518 3.198 12.896 16.261 121 HB ILE 518 HB ILE 518 1.831 13.290 14.155 122 1HG1 ILE 518 1HG1 ILE 518 2.613 10.426 14.669 123 2HG1 ILE 518 2HG1 ILE 518 1.496 11.359 15.666 124 1HG2 ILE 518 1HG2 ILE 518 3.579 13.291 12.518 125 2HG2 ILE 518 2HG2 ILE 518 2.438 11.996 12.165 126 3HG2 ILE 518 3HG2 ILE 518 4.000 11.619 12.903 127 1HD1 ILE 518 1HD1 ILE 518 0.151 11.756 13.689 128 2HD1 ILE 518 2HD1 ILE 518 0.229 10.037 14.169 129 3HD1 ILE 518 3HD1 ILE 518 1.182 10.646 12.788 130 H GLY 519 H GLY 519 4.197 10.767 16.339 131 1HA GLY 519 1HA GLY 519 7.003 10.868 15.521 132 2HA GLY 519 2HA GLY 519 6.270 9.781 16.707 133 H ILE 520 H ILE 520 4.408 8.493 15.640 134 HA ILE 520 HA ILE 520 5.475 7.229 13.185 135 HB ILE 520 HB ILE 520 4.199 5.881 15.590 136 1HG1 ILE 520 1HG1 ILE 520 6.564 6.507 15.966 137 2HG1 ILE 520 2HG1 ILE 520 6.330 4.763 15.922 138 1HG2 ILE 520 1HG2 ILE 520 3.517 4.792 13.539 139 2HG2 ILE 520 2HG2 ILE 520 4.666 3.771 14.410 140 3HG2 ILE 520 3HG2 ILE 520 5.196 4.698 13.007 141 1HD1 ILE 520 1HD1 ILE 520 7.135 4.750 13.595 142 2HD1 ILE 520 2HD1 ILE 520 8.342 5.358 14.736 143 3HD1 ILE 520 3HD1 ILE 520 7.438 6.479 13.719 144 H MET 521 H MET 521 4.083 6.968 11.627 145 HA MET 521 HA MET 521 1.228 7.138 12.302 146 1HB MET 521 1HB MET 521 0.757 8.054 10.073 147 2HB MET 521 2HB MET 521 1.981 9.059 10.816 148 1HG MET 521 1HG MET 521 2.716 8.884 8.635 149 2HG MET 521 2HG MET 521 3.622 7.593 9.414 150 1HE MET 521 1HE MET 521 3.100 7.891 6.211 151 2HE MET 521 2HE MET 521 2.778 6.229 5.775 152 3HE MET 521 3HE MET 521 4.086 6.602 6.889 153 H GLU 522 H GLU 522 0.006 5.478 11.804 154 HA GLU 522 HA GLU 522 1.446 3.258 10.558 155 1HB GLU 522 1HB GLU 522 -0.944 3.011 12.402 156 2HB GLU 522 2HB GLU 522 0.026 1.738 11.716 157 1HG GLU 522 1HG GLU 522 0.855 1.787 13.861 158 2HG GLU 522 2HG GLU 522 1.968 2.867 13.026 159 H VAL 523 H VAL 523 0.401 2.007 9.069 160 HA VAL 523 HA VAL 523 -2.109 3.123 8.000 161 HB VAL 523 HB VAL 523 0.122 1.895 6.363 162 1HG1 VAL 523 1HG1 VAL 523 -1.133 2.767 4.429 163 2HG1 VAL 523 2HG1 VAL 523 -2.385 3.354 5.515 164 3HG1 VAL 523 3HG1 VAL 523 -2.091 1.621 5.368 165 1HG2 VAL 523 1HG2 VAL 523 -0.637 4.801 6.584 166 2HG2 VAL 523 2HG2 VAL 523 0.665 4.109 5.607 167 3HG2 VAL 523 3HG2 VAL 523 0.758 4.060 7.365 168 H LYS 524 H LYS 524 -3.687 1.725 8.069 169 HA LYS 524 HA LYS 524 -3.248 -1.070 8.557 170 1HB LYS 524 1HB LYS 524 -5.698 0.640 8.308 171 2HB LYS 524 2HB LYS 524 -5.779 -1.094 8.522 172 1HG LYS 524 1HG LYS 524 -4.231 0.590 10.427 173 2HG LYS 524 2HG LYS 524 -5.986 0.393 10.627 174 1HD LYS 524 1HD LYS 524 -5.721 -1.982 10.736 175 2HD LYS 524 2HD LYS 524 -3.990 -1.869 10.422 176 1HE LYS 524 1HE LYS 524 -4.484 -2.321 12.731 177 2HE LYS 524 2HE LYS 524 -3.705 -0.744 12.572 178 1HZ LYS 524 1HZ LYS 524 -5.890 0.290 12.833 179 2HZ LYS 524 2HZ LYS 524 -5.551 -0.732 14.135 180 3HZ LYS 524 3HZ LYS 524 -6.613 -1.232 12.941 181 H VAL 525 H VAL 525 -3.044 -2.412 7.107 182 HA VAL 525 HA VAL 525 -3.768 -1.873 4.293 183 HB VAL 525 HB VAL 525 -2.115 -4.169 5.352 184 1HG1 VAL 525 1HG1 VAL 525 -1.231 -4.300 3.068 185 2HG1 VAL 525 2HG1 VAL 525 -2.302 -2.985 2.582 186 3HG1 VAL 525 3HG1 VAL 525 -2.981 -4.522 3.111 187 1HG2 VAL 525 1HG2 VAL 525 -1.156 -1.498 4.365 188 2HG2 VAL 525 2HG2 VAL 525 -0.131 -2.887 4.743 189 3HG2 VAL 525 3HG2 VAL 525 -1.078 -2.112 6.015 190 H LEU 526 H LEU 526 -5.181 -3.175 3.200 191 HA LEU 526 HA LEU 526 -6.932 -4.762 4.831 192 1HB LEU 526 1HB LEU 526 -7.024 -4.226 1.855 193 2HB LEU 526 2HB LEU 526 -8.254 -5.070 2.762 194 HG LEU 526 HG LEU 526 -9.089 -2.922 2.335 195 1HD1 LEU 526 1HD1 LEU 526 -9.588 -3.641 4.565 196 2HD1 LEU 526 2HD1 LEU 526 -9.349 -1.887 4.524 197 3HD1 LEU 526 3HD1 LEU 526 -8.085 -2.929 5.161 198 1HD2 LEU 526 1HD2 LEU 526 -7.037 -1.804 1.717 199 2HD2 LEU 526 2HD2 LEU 526 -6.524 -1.781 3.405 200 3HD2 LEU 526 3HD2 LEU 526 -7.934 -0.853 2.898 201 H ARG 527 H ARG 527 -7.350 -6.871 4.555 202 HA ARG 527 HA ARG 527 -5.068 -8.483 3.753 203 1HB ARG 527 1HB ARG 527 -6.271 -8.797 5.905 204 2HB ARG 527 2HB ARG 527 -7.722 -9.205 5.009 205 1HG ARG 527 1HG ARG 527 -6.269 -11.103 4.017 206 2HG ARG 527 2HG ARG 527 -5.217 -10.783 5.404 207 1HD ARG 527 1HD ARG 527 -6.737 -12.480 6.069 208 2HD ARG 527 2HD ARG 527 -7.251 -10.990 6.858 209 HE ARG 527 HE ARG 527 -8.535 -12.117 4.446 210 1HH1 ARG 527 1HH1 ARG 527 -8.823 -10.044 7.314 211 2HH1 ARG 527 2HH1 ARG 527 -10.514 -10.091 7.348 212 1HH2 ARG 527 1HH2 ARG 527 -10.867 -12.129 4.469 213 2HH2 ARG 527 2HH2 ARG 527 -11.707 -11.295 5.696 214 H THR 528 H THR 528 -5.398 -10.302 2.381 215 HA THR 528 HA THR 528 -6.892 -9.858 0.089 216 HB THR 528 HB THR 528 -4.981 -11.276 -0.047 217 HG1 THR 528 HG1 THR 528 -6.154 -13.331 -0.827 218 1HG2 THR 528 1HG2 THR 528 -4.871 -13.495 1.038 219 2HG2 THR 528 2HG2 THR 528 -6.393 -13.148 1.864 220 3HG2 THR 528 3HG2 THR 528 -4.958 -12.189 2.222 221 H SER 529 H SER 529 -8.682 -10.888 -0.693 222 HA SER 529 HA SER 529 -10.839 -11.216 1.086 223 1HB SER 529 1HB SER 529 -11.024 -10.245 -1.157 224 2HB SER 529 2HB SER 529 -10.514 -11.776 -1.858 225 HG SER 529 HG SER 529 -12.545 -12.378 -0.364 226 H GLY 530 H GLY 530 -8.487 -13.336 -0.297 227 1HA GLY 530 1HA GLY 530 -9.868 -15.635 0.901 228 2HA GLY 530 2HA GLY 530 -9.052 -15.753 -0.660 229 H ALA 531 H ALA 531 -8.641 -15.479 2.756 230 HA ALA 531 HA ALA 531 -5.767 -15.310 2.502 231 1HB ALA 531 1HB ALA 531 -6.933 -13.966 4.214 232 2HB ALA 531 2HB ALA 531 -5.707 -15.029 4.893 233 3HB ALA 531 3HB ALA 531 -7.416 -15.461 5.022 234 H ARG 532 H ARG 532 -5.358 -17.265 1.516 235 HA ARG 532 HA ARG 532 -5.428 -19.536 3.362 236 1HB ARG 532 1HB ARG 532 -5.749 -19.590 0.354 237 2HB ARG 532 2HB ARG 532 -5.485 -21.019 1.341 238 1HG ARG 532 1HG ARG 532 -7.846 -19.156 1.486 239 2HG ARG 532 2HG ARG 532 -7.837 -20.800 0.830 240 1HD ARG 532 1HD ARG 532 -7.136 -21.626 3.046 241 2HD ARG 532 2HD ARG 532 -7.265 -19.994 3.669 242 HE ARG 532 HE ARG 532 -9.681 -20.684 2.498 243 1HH1 ARG 532 1HH1 ARG 532 -7.666 -21.420 5.318 244 2HH1 ARG 532 2HH1 ARG 532 -8.935 -21.880 6.344 245 1HH2 ARG 532 1HH2 ARG 532 -11.494 -21.333 3.900 246 2HH2 ARG 532 2HH2 ARG 532 -11.201 -21.829 5.494 247 H GLY 533 H GLY 533 -3.494 -19.523 4.203 248 1HA GLY 533 1HA GLY 533 -1.343 -20.598 3.753 249 2HA GLY 533 2HA GLY 533 -1.241 -19.567 2.330 250 H ASN 534 H ASN 534 0.629 -18.611 2.993 251 HA ASN 534 HA ASN 534 0.317 -16.534 5.013 252 1HB ASN 534 1HB ASN 534 1.561 -18.399 6.060 253 2HB ASN 534 2HB ASN 534 2.694 -18.423 4.714 254 1HD2 ASN 534 1HD2 ASN 534 1.423 -15.515 6.304 255 2HD2 ASN 534 2HD2 ASN 534 2.932 -15.066 6.975 256 H VAL 535 H VAL 535 1.108 -14.578 4.172 257 HA VAL 535 HA VAL 535 2.519 -14.777 1.600 258 HB VAL 535 HB VAL 535 0.228 -12.875 2.224 259 1HG1 VAL 535 1HG1 VAL 535 1.923 -11.797 0.809 260 2HG1 VAL 535 2HG1 VAL 535 0.461 -12.125 -0.120 261 3HG1 VAL 535 3HG1 VAL 535 1.865 -13.175 -0.286 262 1HG2 VAL 535 1HG2 VAL 535 -0.560 -15.118 1.743 263 2HG2 VAL 535 2HG2 VAL 535 0.458 -15.151 0.301 264 3HG2 VAL 535 3HG2 VAL 535 -0.914 -14.042 0.377 265 H ILE 536 H ILE 536 4.145 -13.420 1.303 266 HA ILE 536 HA ILE 536 4.713 -11.430 3.371 267 HB ILE 536 HB ILE 536 6.492 -12.786 1.334 268 1HG1 ILE 536 1HG1 ILE 536 6.058 -14.065 3.375 269 2HG1 ILE 536 2HG1 ILE 536 7.745 -13.568 3.283 270 1HG2 ILE 536 1HG2 ILE 536 8.364 -11.435 2.221 271 2HG2 ILE 536 2HG2 ILE 536 7.182 -10.486 3.131 272 3HG2 ILE 536 3HG2 ILE 536 7.146 -10.479 1.372 273 1HD1 ILE 536 1HD1 ILE 536 6.893 -13.324 5.531 274 2HD1 ILE 536 2HD1 ILE 536 5.594 -12.292 4.952 275 3HD1 ILE 536 3HD1 ILE 536 7.270 -11.746 4.838 276 H VAL 537 H VAL 537 4.446 -9.413 2.909 277 HA VAL 537 HA VAL 537 4.256 -8.611 0.092 278 HB VAL 537 HB VAL 537 2.951 -7.227 2.455 279 1HG1 VAL 537 1HG1 VAL 537 2.565 -6.856 -0.507 280 2HG1 VAL 537 2HG1 VAL 537 3.409 -5.764 0.589 281 3HG1 VAL 537 3HG1 VAL 537 1.671 -6.020 0.765 282 1HG2 VAL 537 1HG2 VAL 537 1.659 -9.085 0.446 283 2HG2 VAL 537 2HG2 VAL 537 0.805 -8.138 1.661 284 3HG2 VAL 537 3HG2 VAL 537 1.914 -9.416 2.159 285 HA PRO 538 HA PRO 538 7.869 -6.291 1.593 286 1HB PRO 538 1HB PRO 538 8.842 -5.725 -0.895 287 2HB PRO 538 2HB PRO 538 9.165 -7.254 -0.062 288 1HG PRO 538 1HG PRO 538 7.293 -6.629 -2.275 289 2HG PRO 538 2HG PRO 538 8.174 -8.125 -1.935 290 1HD PRO 538 1HD PRO 538 5.491 -7.687 -1.402 291 2HD PRO 538 2HD PRO 538 6.487 -8.945 -0.652 292 H TYR 539 H TYR 539 8.012 -4.133 1.942 293 HA TYR 539 HA TYR 539 6.517 -2.356 0.136 294 1HB TYR 539 1HB TYR 539 5.583 -1.073 1.951 295 2HB TYR 539 2HB TYR 539 5.212 -2.761 2.267 296 HD1 TYR 539 HD1 TYR 539 6.254 -3.926 4.132 297 HD2 TYR 539 HD2 TYR 539 7.113 0.163 3.379 298 HE1 TYR 539 HE1 TYR 539 7.233 -3.725 6.371 299 HE2 TYR 539 HE2 TYR 539 8.106 0.381 5.607 300 HH TYR 539 HH TYR 539 8.156 -0.646 7.697 301 H LYS 540 H LYS 540 7.248 -0.136 0.198 302 HA LYS 540 HA LYS 540 9.566 0.534 1.669 303 1HB LYS 540 1HB LYS 540 11.003 1.094 -0.338 304 2HB LYS 540 2HB LYS 540 10.803 -0.615 -0.029 305 1HG LYS 540 1HG LYS 540 10.694 -0.374 -2.375 306 2HG LYS 540 2HG LYS 540 9.028 -0.588 -1.860 307 1HD LYS 540 1HD LYS 540 8.687 1.836 -1.997 308 2HD LYS 540 2HD LYS 540 10.358 2.039 -2.519 309 1HE LYS 540 1HE LYS 540 8.249 0.456 -3.983 310 2HE LYS 540 2HE LYS 540 8.753 2.087 -4.388 311 1HZ LYS 540 1HZ LYS 540 9.815 0.443 -5.779 312 2HZ LYS 540 2HZ LYS 540 10.561 -0.294 -4.459 313 3HZ LYS 540 3HZ LYS 540 10.943 1.300 -4.884 314 H THR 541 H THR 541 9.963 2.710 1.785 315 HA THR 541 HA THR 541 7.784 4.413 0.968 316 HB THR 541 HB THR 541 9.284 6.158 2.129 317 HG1 THR 541 HG1 THR 541 11.109 4.589 1.952 318 1HG2 THR 541 1HG2 THR 541 8.281 3.804 3.726 319 2HG2 THR 541 2HG2 THR 541 7.323 5.203 3.234 320 3HG2 THR 541 3HG2 THR 541 8.653 5.395 4.379 321 H ILE 542 H ILE 542 7.815 5.453 -0.941 322 HA ILE 542 HA ILE 542 10.314 5.862 -2.356 323 HB ILE 542 HB ILE 542 7.504 6.855 -2.986 324 1HG1 ILE 542 1HG1 ILE 542 7.737 5.290 -5.024 325 2HG1 ILE 542 2HG1 ILE 542 9.078 4.558 -4.161 326 1HG2 ILE 542 1HG2 ILE 542 9.992 7.111 -4.648 327 2HG2 ILE 542 2HG2 ILE 542 9.068 8.410 -3.895 328 3HG2 ILE 542 3HG2 ILE 542 8.365 7.477 -5.220 329 1HD1 ILE 542 1HD1 ILE 542 7.016 3.291 -3.906 330 2HD1 ILE 542 2HD1 ILE 542 6.233 4.707 -3.202 331 3HD1 ILE 542 3HD1 ILE 542 7.571 3.931 -2.358 332 H GLU 543 H GLU 543 11.553 7.609 -1.984 333 HA GLU 543 HA GLU 543 10.838 9.458 0.021 334 1HB GLU 543 1HB GLU 543 13.067 9.627 -2.021 335 2HB GLU 543 2HB GLU 543 12.913 10.668 -0.614 336 1HG GLU 543 1HG GLU 543 13.126 8.694 0.840 337 2HG GLU 543 2HG GLU 543 13.338 7.686 -0.589 338 H GLY 544 H GLY 544 11.106 9.776 -3.481 339 1HA GLY 544 1HA GLY 544 9.955 11.107 -4.951 340 2HA GLY 544 2HA GLY 544 8.825 11.445 -3.649 341 H THR 545 H THR 545 9.083 13.226 -2.424 342 HA THR 545 HA THR 545 11.047 15.171 -3.416 343 HB THR 545 HB THR 545 8.656 15.737 -3.908 344 HG1 THR 545 HG1 THR 545 9.879 17.508 -2.030 345 1HG2 THR 545 1HG2 THR 545 7.169 16.435 -2.069 346 2HG2 THR 545 2HG2 THR 545 8.376 15.895 -0.903 347 3HG2 THR 545 3HG2 THR 545 7.585 14.724 -1.961 348 H ALA 546 H ALA 546 10.498 13.124 -0.950 349 HA ALA 546 HA ALA 546 11.177 14.918 1.242 350 1HB ALA 546 1HB ALA 546 9.305 13.352 1.495 351 2HB ALA 546 2HB ALA 546 10.590 13.063 2.661 352 3HB ALA 546 3HB ALA 546 10.421 12.008 1.254 353 H ARG 547 H ARG 547 12.652 13.712 2.920 354 HA ARG 547 HA ARG 547 14.983 12.586 1.508 355 1HB ARG 547 1HB ARG 547 14.905 15.075 2.608 356 2HB ARG 547 2HB ARG 547 15.441 14.117 3.980 357 1HG ARG 547 1HG ARG 547 17.397 14.863 2.916 358 2HG ARG 547 2HG ARG 547 17.207 13.168 2.437 359 1HD ARG 547 1HD ARG 547 16.093 13.960 0.373 360 2HD ARG 547 2HD ARG 547 16.434 15.598 0.953 361 HE ARG 547 HE ARG 547 18.777 13.981 0.745 362 1HH1 ARG 547 1HH1 ARG 547 16.611 16.187 -1.005 363 2HH1 ARG 547 2HH1 ARG 547 17.788 16.547 -2.193 364 1HH2 ARG 547 1HH2 ARG 547 20.312 14.514 -0.854 365 2HH2 ARG 547 2HH2 ARG 547 19.925 15.590 -2.122 366 H GLY 548 H GLY 548 15.094 10.484 2.212 367 1HA GLY 548 1HA GLY 548 14.036 9.690 4.750 368 2HA GLY 548 2HA GLY 548 14.851 8.674 3.571 369 H GLY 549 H GLY 549 15.945 7.679 5.351 370 1HA GLY 549 1HA GLY 549 17.705 7.347 6.740 371 2HA GLY 549 2HA GLY 549 18.478 8.724 5.958 372 H GLY 550 H GLY 550 15.449 9.306 7.447 373 1HA GLY 550 1HA GLY 550 14.855 10.268 9.441 374 2HA GLY 550 2HA GLY 550 16.480 9.969 10.041 375 H GLU 551 H GLU 551 16.429 11.459 7.050 376 HA GLU 551 HA GLU 551 17.686 13.767 8.153 377 1HB GLU 551 1HB GLU 551 18.555 12.604 6.205 378 2HB GLU 551 2HB GLU 551 17.084 12.941 5.328 379 1HG GLU 551 1HG GLU 551 17.692 15.021 4.839 380 2HG GLU 551 2HG GLU 551 18.610 15.257 6.344 381 H ASP 552 H ASP 552 14.738 13.164 6.331 382 HA ASP 552 HA ASP 552 13.612 15.563 7.595 383 1HB ASP 552 1HB ASP 552 14.239 15.955 5.071 384 2HB ASP 552 2HB ASP 552 12.907 14.856 4.732 385 H PHE 553 H PHE 553 13.345 12.338 6.431 386 HA PHE 553 HA PHE 553 11.333 11.882 8.374 387 1HB PHE 553 1HB PHE 553 9.660 10.943 7.031 388 2HB PHE 553 2HB PHE 553 10.151 12.332 6.086 389 HD1 PHE 553 HD1 PHE 553 9.684 8.814 6.161 390 HD2 PHE 553 HD2 PHE 553 11.729 11.908 4.121 391 HE1 PHE 553 HE1 PHE 553 9.955 7.328 4.211 392 HE2 PHE 553 HE2 PHE 553 12.022 10.432 2.167 393 HZ PHE 553 HZ PHE 553 11.129 8.140 2.211 394 H GLU 554 H GLU 554 11.109 9.428 8.613 395 HA GLU 554 HA GLU 554 13.772 8.266 8.281 396 1HB GLU 554 1HB GLU 554 12.318 8.557 10.471 397 2HB GLU 554 2HB GLU 554 11.465 7.172 9.844 398 1HG GLU 554 1HG GLU 554 14.402 7.226 10.509 399 2HG GLU 554 2HG GLU 554 13.127 6.645 11.570 400 H ASP 555 H ASP 555 13.891 7.047 6.388 401 HA ASP 555 HA ASP 555 11.451 6.163 5.128 402 1HB ASP 555 1HB ASP 555 12.765 5.458 3.219 403 2HB ASP 555 2HB ASP 555 13.305 7.051 3.712 404 H THR 556 H THR 556 10.937 4.033 4.562 405 HA THR 556 HA THR 556 12.280 2.068 6.177 406 HB THR 556 HB THR 556 10.609 2.886 7.713 407 HG1 THR 556 HG1 THR 556 10.803 0.706 7.911 408 1HG2 THR 556 1HG2 THR 556 9.032 3.914 6.246 409 2HG2 THR 556 2HG2 THR 556 8.197 2.696 7.218 410 3HG2 THR 556 3HG2 THR 556 8.606 2.359 5.533 411 H CYS 557 H CYS 557 12.162 0.039 5.469 412 HA CYS 557 HA CYS 557 10.376 -0.714 3.339 413 1HB CYS 557 1HB CYS 557 12.363 -1.744 2.133 414 2HB CYS 557 2HB CYS 557 12.278 0.011 2.052 415 HG CYS 557 HG CYS 557 14.461 -1.959 3.731 416 H GLY 558 H GLY 558 10.109 -3.075 3.332 417 1HA GLY 558 1HA GLY 558 11.557 -4.806 4.858 418 2HA GLY 558 2HA GLY 558 10.312 -4.131 5.908 419 H GLU 559 H GLU 559 9.643 -6.384 5.901 420 HA GLU 559 HA GLU 559 7.920 -7.001 3.609 421 1HB GLU 559 1HB GLU 559 9.635 -8.762 5.302 422 2HB GLU 559 2HB GLU 559 8.413 -9.391 4.198 423 1HG GLU 559 1HG GLU 559 9.641 -8.467 2.323 424 2HG GLU 559 2HG GLU 559 10.798 -7.718 3.419 425 H LEU 560 H LEU 560 5.870 -7.129 4.201 426 HA LEU 560 HA LEU 560 5.147 -7.437 7.020 427 1HB LEU 560 1HB LEU 560 3.509 -6.754 4.586 428 2HB LEU 560 2HB LEU 560 2.879 -6.855 6.215 429 HG LEU 560 HG LEU 560 4.974 -4.889 5.321 430 1HD1 LEU 560 1HD1 LEU 560 2.022 -4.539 5.767 431 2HD1 LEU 560 2HD1 LEU 560 2.870 -4.459 4.214 432 3HD1 LEU 560 3HD1 LEU 560 3.194 -3.259 5.467 433 1HD2 LEU 560 1HD2 LEU 560 5.085 -5.382 7.707 434 2HD2 LEU 560 2HD2 LEU 560 3.351 -5.083 7.850 435 3HD2 LEU 560 3HD2 LEU 560 4.437 -3.762 7.428 436 H GLU 561 H GLU 561 3.895 -9.165 7.711 437 HA GLU 561 HA GLU 561 3.693 -11.313 5.756 438 1HB GLU 561 1HB GLU 561 5.438 -11.625 7.488 439 2HB GLU 561 2HB GLU 561 4.198 -11.526 8.725 440 1HG GLU 561 1HG GLU 561 3.205 -13.548 8.008 441 2HG GLU 561 2HG GLU 561 4.198 -13.579 6.549 442 H PHE 562 H PHE 562 1.733 -11.764 5.238 443 HA PHE 562 HA PHE 562 -0.521 -11.302 7.089 444 1HB PHE 562 1HB PHE 562 -0.270 -11.463 4.122 445 2HB PHE 562 2HB PHE 562 -1.768 -12.002 4.854 446 HD1 PHE 562 HD1 PHE 562 -3.008 -10.369 6.316 447 HD2 PHE 562 HD2 PHE 562 0.112 -9.218 3.670 448 HE1 PHE 562 HE1 PHE 562 -3.907 -8.081 6.272 449 HE2 PHE 562 HE2 PHE 562 -0.762 -6.915 3.627 450 HZ PHE 562 HZ PHE 562 -2.782 -6.343 4.928 451 H GLN 563 H GLN 563 -1.810 -13.060 7.701 452 HA GLN 563 HA GLN 563 -0.851 -15.616 6.627 453 1HB GLN 563 1HB GLN 563 -1.950 -15.185 9.391 454 2HB GLN 563 2HB GLN 563 -1.273 -16.671 8.765 455 1HG GLN 563 1HG GLN 563 0.858 -15.171 8.428 456 2HG GLN 563 2HG GLN 563 0.075 -14.177 9.659 457 1HE2 GLN 563 1HE2 GLN 563 0.007 -17.669 9.342 458 2HE2 GLN 563 2HE2 GLN 563 0.843 -18.006 10.794 459 H ASN 564 H ASN 564 -2.622 -17.380 7.313 460 HA ASN 564 HA ASN 564 -4.990 -16.678 5.899 461 1HB ASN 564 1HB ASN 564 -5.718 -18.974 6.345 462 2HB ASN 564 2HB ASN 564 -4.043 -18.978 5.824 463 1HD2 ASN 564 1HD2 ASN 564 -5.612 -20.928 7.357 464 2HD2 ASN 564 2HD2 ASN 564 -4.778 -21.201 8.836 465 H ASP 565 H ASP 565 -4.023 -17.053 9.133 466 HA ASP 565 HA ASP 565 -6.688 -16.587 10.220 467 1HB ASP 565 1HB ASP 565 -5.329 -18.336 11.226 468 2HB ASP 565 2HB ASP 565 -4.054 -17.179 11.563 469 H GLU 566 H GLU 566 -3.499 -15.083 10.214 470 HA GLU 566 HA GLU 566 -4.267 -12.882 11.810 471 1HB GLU 566 1HB GLU 566 -1.890 -13.632 11.618 472 2HB GLU 566 2HB GLU 566 -1.913 -13.085 9.942 473 1HG GLU 566 1HG GLU 566 -2.039 -10.854 10.519 474 2HG GLU 566 2HG GLU 566 -2.550 -11.208 12.161 475 H ILE 567 H ILE 567 -5.318 -11.141 11.302 476 HA ILE 567 HA ILE 567 -5.734 -10.561 8.467 477 HB ILE 567 HB ILE 567 -7.686 -9.283 9.120 478 1HG1 ILE 567 1HG1 ILE 567 -7.443 -10.130 11.978 479 2HG1 ILE 567 2HG1 ILE 567 -6.552 -8.714 11.424 480 1HG2 ILE 567 1HG2 ILE 567 -9.111 -11.060 10.029 481 2HG2 ILE 567 2HG2 ILE 567 -7.669 -11.972 10.469 482 3HG2 ILE 567 3HG2 ILE 567 -8.030 -11.663 8.772 483 1HD1 ILE 567 1HD1 ILE 567 -8.704 -8.109 12.385 484 2HD1 ILE 567 2HD1 ILE 567 -9.517 -9.108 11.158 485 3HD1 ILE 567 3HD1 ILE 567 -8.543 -7.705 10.673 486 H VAL 568 H VAL 568 -6.006 -8.218 8.066 487 HA VAL 568 HA VAL 568 -4.960 -6.288 7.634 488 HB VAL 568 HB VAL 568 -6.517 -6.002 9.672 489 1HG1 VAL 568 1HG1 VAL 568 -5.540 -5.034 11.677 490 2HG1 VAL 568 2HG1 VAL 568 -3.936 -5.425 11.061 491 3HG1 VAL 568 3HG1 VAL 568 -5.076 -6.722 11.432 492 1HG2 VAL 568 1HG2 VAL 568 -4.505 -3.865 9.007 493 2HG2 VAL 568 2HG2 VAL 568 -6.043 -3.614 9.826 494 3HG2 VAL 568 3HG2 VAL 568 -6.019 -4.186 8.154 495 H LYS 569 H LYS 569 -3.139 -4.799 7.844 496 HA LYS 569 HA LYS 569 -0.918 -5.653 9.502 497 1HB LYS 569 1HB LYS 569 -0.699 -5.276 6.514 498 2HB LYS 569 2HB LYS 569 0.679 -5.067 7.567 499 1HG LYS 569 1HG LYS 569 -0.885 -7.627 7.464 500 2HG LYS 569 2HG LYS 569 0.409 -7.281 6.333 501 1HD LYS 569 1HD LYS 569 1.355 -8.626 8.057 502 2HD LYS 569 2HD LYS 569 1.929 -6.998 8.326 503 1HE LYS 569 1HE LYS 569 0.505 -6.707 10.193 504 2HE LYS 569 2HE LYS 569 -0.439 -8.146 9.789 505 1HZ LYS 569 1HZ LYS 569 1.241 -8.279 11.636 506 2HZ LYS 569 2HZ LYS 569 2.443 -8.348 10.441 507 3HZ LYS 569 3HZ LYS 569 1.206 -9.515 10.522 508 H THR 570 H THR 570 0.786 -3.962 9.534 509 HA THR 570 HA THR 570 -0.283 -1.315 8.957 510 HB THR 570 HB THR 570 0.816 -0.665 11.244 511 HG1 THR 570 HG1 THR 570 1.484 -2.546 12.038 512 1HG2 THR 570 1HG2 THR 570 -1.925 -1.906 11.025 513 2HG2 THR 570 2HG2 THR 570 -1.496 -0.229 10.669 514 3HG2 THR 570 3HG2 THR 570 -1.389 -0.835 12.321 515 H ILE 571 H ILE 571 1.103 -0.105 7.969 516 HA ILE 571 HA ILE 571 3.965 -0.628 8.291 517 HB ILE 571 HB ILE 571 2.587 1.347 6.402 518 1HG1 ILE 571 1HG1 ILE 571 3.727 -0.073 4.614 519 2HG1 ILE 571 2HG1 ILE 571 3.970 -1.274 5.871 520 1HG2 ILE 571 1HG2 ILE 571 5.521 0.737 6.645 521 2HG2 ILE 571 2HG2 ILE 571 4.709 2.205 7.183 522 3HG2 ILE 571 3HG2 ILE 571 4.764 1.810 5.462 523 1HD1 ILE 571 1HD1 ILE 571 2.044 -1.737 4.487 524 2HD1 ILE 571 2HD1 ILE 571 1.318 -0.201 4.982 525 3HD1 ILE 571 3HD1 ILE 571 1.616 -1.477 6.173 526 H SER 572 H SER 572 4.997 0.468 9.754 527 HA SER 572 HA SER 572 3.828 2.949 10.744 528 1HB SER 572 1HB SER 572 5.828 1.055 11.993 529 2HB SER 572 2HB SER 572 5.167 2.495 12.766 530 HG SER 572 HG SER 572 3.306 1.527 13.059 531 H VAL 573 H VAL 573 4.877 4.794 10.260 532 HA VAL 573 HA VAL 573 7.677 4.647 9.361 533 HB VAL 573 HB VAL 573 5.564 6.524 8.247 534 1HG1 VAL 573 1HG1 VAL 573 7.783 7.508 8.206 535 2HG1 VAL 573 2HG1 VAL 573 7.253 7.130 6.566 536 3HG1 VAL 573 3HG1 VAL 573 8.420 6.087 7.380 537 1HG2 VAL 573 1HG2 VAL 573 6.810 4.101 6.948 538 2HG2 VAL 573 2HG2 VAL 573 5.761 5.256 6.136 539 3HG2 VAL 573 3HG2 VAL 573 5.131 4.269 7.455 540 H LYS 574 H LYS 574 8.986 6.241 10.146 541 HA LYS 574 HA LYS 574 7.860 7.812 12.314 542 1HB LYS 574 1HB LYS 574 9.707 6.374 12.899 543 2HB LYS 574 2HB LYS 574 10.711 7.068 11.648 544 1HG LYS 574 1HG LYS 574 10.745 9.190 12.818 545 2HG LYS 574 2HG LYS 574 9.695 8.554 14.077 546 1HD LYS 574 1HD LYS 574 11.419 6.813 14.534 547 2HD LYS 574 2HD LYS 574 12.464 7.603 13.360 548 1HE LYS 574 1HE LYS 574 12.446 9.648 14.681 549 2HE LYS 574 2HE LYS 574 11.361 8.894 15.849 550 1HZ LYS 574 1HZ LYS 574 14.126 7.993 15.236 551 2HZ LYS 574 2HZ LYS 574 13.104 7.288 16.372 552 3HZ LYS 574 3HZ LYS 574 13.661 8.855 16.592 553 H VAL 575 H VAL 575 7.661 9.852 12.290 554 HA VAL 575 HA VAL 575 8.628 11.401 10.025 555 HB VAL 575 HB VAL 575 6.729 12.181 12.281 556 1HG1 VAL 575 1HG1 VAL 575 7.361 13.618 9.700 557 2HG1 VAL 575 2HG1 VAL 575 7.849 14.128 11.316 558 3HG1 VAL 575 3HG1 VAL 575 6.141 14.107 10.876 559 1HG2 VAL 575 1HG2 VAL 575 5.757 10.446 10.872 560 2HG2 VAL 575 2HG2 VAL 575 6.114 11.398 9.431 561 3HG2 VAL 575 3HG2 VAL 575 4.941 11.988 10.609 562 H ILE 576 H ILE 576 10.091 13.072 10.337 563 HA ILE 576 HA ILE 576 11.534 12.950 12.887 564 HB ILE 576 HB ILE 576 12.500 13.915 10.165 565 1HG1 ILE 576 1HG1 ILE 576 12.098 11.509 10.135 566 2HG1 ILE 576 2HG1 ILE 576 13.822 11.867 10.067 567 1HG2 ILE 576 1HG2 ILE 576 14.052 13.434 12.704 568 2HG2 ILE 576 2HG2 ILE 576 13.682 15.002 11.989 569 3HG2 ILE 576 3HG2 ILE 576 14.740 13.875 11.141 570 1HD1 ILE 576 1HD1 ILE 576 13.968 11.312 12.454 571 2HD1 ILE 576 2HD1 ILE 576 13.394 9.978 11.445 572 3HD1 ILE 576 3HD1 ILE 576 12.247 10.879 12.432 573 H ASP 577 H ASP 577 11.930 14.861 13.977 574 HA ASP 577 HA ASP 577 10.268 17.056 13.520 575 1HB ASP 577 1HB ASP 577 11.604 18.296 15.194 576 2HB ASP 577 2HB ASP 577 11.239 16.678 15.757 577 H ASP 578 H ASP 578 10.481 18.840 12.440 578 HA ASP 578 HA ASP 578 12.086 18.537 10.086 579 1HB ASP 578 1HB ASP 578 9.625 19.316 10.410 580 2HB ASP 578 2HB ASP 578 10.380 20.888 10.610 581 H GLU 579 H GLU 579 13.961 19.311 9.852 582 HA GLU 579 HA GLU 579 15.086 21.212 11.628 583 1HB GLU 579 1HB GLU 579 17.058 20.762 9.818 584 2HB GLU 579 2HB GLU 579 16.773 19.804 11.260 585 1HG GLU 579 1HG GLU 579 17.147 18.408 9.285 586 2HG GLU 579 2HG GLU 579 15.539 18.165 9.947 587 H GLU 580 H GLU 580 13.562 21.580 8.549 588 HA GLU 580 HA GLU 580 14.197 24.386 8.773 589 1HB GLU 580 1HB GLU 580 14.837 24.706 6.511 590 2HB GLU 580 2HB GLU 580 15.682 23.240 6.942 591 1HG GLU 580 1HG GLU 580 13.105 23.363 5.366 592 2HG GLU 580 2HG GLU 580 14.703 23.250 4.676 593 H TYR 581 H TYR 581 12.534 25.428 6.893 594 HA TYR 581 HA TYR 581 9.993 24.225 7.636 595 1HB TYR 581 1HB TYR 581 8.923 26.175 6.820 596 2HB TYR 581 2HB TYR 581 10.422 26.797 7.485 597 HD1 TYR 581 HD1 TYR 581 12.340 27.295 5.822 598 HD2 TYR 581 HD2 TYR 581 8.333 26.537 4.599 599 HE1 TYR 581 HE1 TYR 581 12.808 28.317 3.648 600 HE2 TYR 581 HE2 TYR 581 8.783 27.560 2.438 601 HH TYR 581 HH TYR 581 11.912 28.248 1.361 602 H GLU 582 H GLU 582 8.499 23.506 5.962 603 HA GLU 582 HA GLU 582 9.855 22.856 3.444 604 1HB GLU 582 1HB GLU 582 8.967 20.607 3.538 605 2HB GLU 582 2HB GLU 582 9.880 20.903 5.016 606 1HG GLU 582 1HG GLU 582 7.810 21.358 6.202 607 2HG GLU 582 2HG GLU 582 6.902 21.094 4.722 608 H LYS 583 H LYS 583 8.143 21.996 1.935 609 HA LYS 583 HA LYS 583 5.603 23.442 2.245 610 1HB LYS 583 1HB LYS 583 6.878 22.116 -0.177 611 2HB LYS 583 2HB LYS 583 5.304 22.902 -0.179 612 1HG LYS 583 1HG LYS 583 6.420 25.031 0.433 613 2HG LYS 583 2HG LYS 583 7.974 24.216 0.304 614 1HD LYS 583 1HD LYS 583 7.484 25.473 -1.722 615 2HD LYS 583 2HD LYS 583 7.515 23.742 -2.063 616 1HE LYS 583 1HE LYS 583 5.096 23.663 -2.073 617 2HE LYS 583 2HE LYS 583 5.003 25.343 -1.557 618 1HZ LYS 583 1HZ LYS 583 5.967 26.008 -3.644 619 2HZ LYS 583 2HZ LYS 583 4.617 25.030 -3.948 620 3HZ LYS 583 3HZ LYS 583 6.170 24.396 -4.107 621 H ASN 584 H ASN 584 4.009 21.673 0.763 622 HA ASN 584 HA ASN 584 3.834 19.663 2.765 623 1HB ASN 584 1HB ASN 584 2.136 20.338 0.417 624 2HB ASN 584 2HB ASN 584 1.887 18.787 1.233 625 1HD2 ASN 584 1HD2 ASN 584 0.039 21.023 1.083 626 2HD2 ASN 584 2HD2 ASN 584 -0.236 21.515 2.713 627 H LYS 585 H LYS 585 5.534 18.436 2.780 628 HA LYS 585 HA LYS 585 6.474 17.147 0.418 629 1HB LYS 585 1HB LYS 585 8.257 17.779 1.789 630 2HB LYS 585 2HB LYS 585 7.393 17.435 3.267 631 1HG LYS 585 1HG LYS 585 8.382 15.243 1.479 632 2HG LYS 585 2HG LYS 585 9.458 16.036 2.627 633 1HD LYS 585 1HD LYS 585 6.857 15.121 3.677 634 2HD LYS 585 2HD LYS 585 7.991 13.843 3.218 635 1HE LYS 585 1HE LYS 585 8.036 14.469 5.644 636 2HE LYS 585 2HE LYS 585 9.584 14.618 4.833 637 1HZ LYS 585 1HZ LYS 585 8.832 16.482 6.426 638 2HZ LYS 585 2HZ LYS 585 7.933 17.096 5.126 639 3HZ LYS 585 3HZ LYS 585 9.580 16.808 5.002 640 H THR 586 H THR 586 6.385 14.965 0.008 641 HA THR 586 HA THR 586 4.701 13.371 1.697 642 HB THR 586 HB THR 586 3.053 14.476 0.306 643 HG1 THR 586 HG1 THR 586 2.893 12.203 0.648 644 1HG2 THR 586 1HG2 THR 586 3.036 14.352 -2.097 645 2HG2 THR 586 2HG2 THR 586 4.601 13.518 -2.090 646 3HG2 THR 586 3HG2 THR 586 4.478 15.193 -1.523 647 H PHE 587 H PHE 587 5.000 11.366 1.572 648 HA PHE 587 HA PHE 587 6.846 10.363 -0.390 649 1HB PHE 587 1HB PHE 587 7.429 8.634 1.526 650 2HB PHE 587 2HB PHE 587 8.280 10.153 1.384 651 HD1 PHE 587 HD1 PHE 587 5.549 8.431 3.327 652 HD2 PHE 587 HD2 PHE 587 8.330 11.639 3.113 653 HE1 PHE 587 HE1 PHE 587 5.176 8.974 5.752 654 HE2 PHE 587 HE2 PHE 587 7.953 12.125 5.484 655 HZ PHE 587 HZ PHE 587 6.375 10.777 6.784 656 H PHE 588 H PHE 588 6.480 8.308 -1.063 657 HA PHE 588 HA PHE 588 3.620 7.665 -0.848 658 1HB PHE 588 1HB PHE 588 5.484 6.767 -3.045 659 2HB PHE 588 2HB PHE 588 3.730 6.861 -3.056 660 HD1 PHE 588 HD1 PHE 588 2.729 9.279 -2.762 661 HD2 PHE 588 HD2 PHE 588 6.693 8.457 -4.054 662 HE1 PHE 588 HE1 PHE 588 2.874 11.530 -3.779 663 HE2 PHE 588 HE2 PHE 588 6.838 10.691 -5.065 664 HZ PHE 588 HZ PHE 588 4.925 12.228 -4.923 665 H LEU 589 H LEU 589 3.113 5.813 0.075 666 HA LEU 589 HA LEU 589 5.287 3.914 0.603 667 1HB LEU 589 1HB LEU 589 3.564 4.807 2.400 668 2HB LEU 589 2HB LEU 589 2.485 3.640 1.670 669 HG LEU 589 HG LEU 589 3.439 2.766 3.705 670 1HD1 LEU 589 1HD1 LEU 589 4.491 0.680 2.890 671 2HD1 LEU 589 2HD1 LEU 589 4.418 1.347 1.254 672 3HD1 LEU 589 3HD1 LEU 589 2.936 1.086 2.185 673 1HD2 LEU 589 1HD2 LEU 589 5.430 4.012 3.804 674 2HD2 LEU 589 2HD2 LEU 589 6.082 3.197 2.382 675 3HD2 LEU 589 3HD2 LEU 589 5.846 2.298 3.878 676 H GLU 590 H GLU 590 5.411 2.145 -0.614 677 HA GLU 590 HA GLU 590 3.000 1.294 -2.044 678 1HB GLU 590 1HB GLU 590 4.539 2.452 -3.587 679 2HB GLU 590 2HB GLU 590 5.821 1.344 -3.121 680 1HG GLU 590 1HG GLU 590 4.393 -0.528 -3.954 681 2HG GLU 590 2HG GLU 590 3.283 0.685 -4.585 682 H ILE 591 H ILE 591 2.537 -0.722 -1.783 683 HA ILE 591 HA ILE 591 4.532 -2.536 -0.730 684 HB ILE 591 HB ILE 591 2.578 -4.139 -0.531 685 1HG1 ILE 591 1HG1 ILE 591 0.938 -1.662 -1.149 686 2HG1 ILE 591 2HG1 ILE 591 1.065 -3.094 -2.160 687 1HG2 ILE 591 1HG2 ILE 591 2.426 -1.573 1.037 688 2HG2 ILE 591 2HG2 ILE 591 3.371 -3.014 1.427 689 3HG2 ILE 591 3HG2 ILE 591 1.611 -3.073 1.479 690 1HD1 ILE 591 1HD1 ILE 591 -0.147 -2.966 0.588 691 2HD1 ILE 591 2HD1 ILE 591 -0.047 -4.411 -0.423 692 3HD1 ILE 591 3HD1 ILE 591 -1.032 -3.035 -0.933 693 H GLY 592 H GLY 592 5.375 -4.053 -1.996 694 1HA GLY 592 1HA GLY 592 4.973 -3.625 -4.833 695 2HA GLY 592 2HA GLY 592 6.287 -4.502 -4.063 696 H GLU 593 H GLU 593 6.269 -6.307 -5.156 697 HA GLU 593 HA GLU 593 3.878 -7.715 -5.875 698 1HB GLU 593 1HB GLU 593 5.823 -7.685 -7.327 699 2HB GLU 593 2HB GLU 593 6.810 -8.451 -6.079 700 1HG GLU 593 1HG GLU 593 4.971 -10.306 -6.259 701 2HG GLU 593 2HG GLU 593 4.680 -9.560 -7.824 702 HA PRO 594 HA PRO 594 4.138 -9.803 -1.901 703 1HB PRO 594 1HB PRO 594 1.658 -10.826 -1.892 704 2HB PRO 594 2HB PRO 594 1.951 -9.107 -1.595 705 1HG PRO 594 1HG PRO 594 1.031 -10.462 -4.081 706 2HG PRO 594 2HG PRO 594 0.490 -8.939 -3.370 707 1HD PRO 594 1HD PRO 594 2.278 -9.148 -5.450 708 2HD PRO 594 2HD PRO 594 2.168 -7.752 -4.356 709 H ARG 595 H ARG 595 4.344 -11.933 -1.309 710 HA ARG 595 HA ARG 595 4.286 -13.845 -3.496 711 1HB ARG 595 1HB ARG 595 6.472 -14.755 -2.569 712 2HB ARG 595 2HB ARG 595 6.551 -13.249 -3.471 713 1HG ARG 595 1HG ARG 595 6.548 -12.033 -1.284 714 2HG ARG 595 2HG ARG 595 6.664 -13.611 -0.495 715 1HD ARG 595 1HD ARG 595 8.759 -14.045 -1.423 716 2HD ARG 595 2HD ARG 595 8.628 -12.726 -2.586 717 HE ARG 595 HE ARG 595 9.040 -12.460 0.309 718 1HH1 ARG 595 1HH1 ARG 595 9.161 -11.064 -2.923 719 2HH1 ARG 595 2HH1 ARG 595 10.246 -9.817 -2.540 720 1HH2 ARG 595 1HH2 ARG 595 10.553 -10.656 0.893 721 2HH2 ARG 595 2HH2 ARG 595 11.059 -9.611 -0.361 722 H LEU 596 H LEU 596 3.534 -15.731 -3.023 723 HA LEU 596 HA LEU 596 2.340 -16.147 -0.462 724 1HB LEU 596 1HB LEU 596 1.820 -16.949 -3.018 725 2HB LEU 596 2HB LEU 596 2.624 -18.374 -2.396 726 HG LEU 596 HG LEU 596 0.430 -18.907 -2.070 727 1HD1 LEU 596 1HD1 LEU 596 1.055 -17.540 0.496 728 2HD1 LEU 596 2HD1 LEU 596 1.531 -19.170 0.019 729 3HD1 LEU 596 3HD1 LEU 596 -0.179 -18.781 0.249 730 1HD2 LEU 596 1HD2 LEU 596 -0.610 -16.924 -2.836 731 2HD2 LEU 596 2HD2 LEU 596 -0.115 -16.037 -1.407 732 3HD2 LEU 596 3HD2 LEU 596 -1.323 -17.321 -1.269 733 H VAL 597 H VAL 597 3.414 -17.122 1.158 734 HA VAL 597 HA VAL 597 6.135 -17.953 0.868 735 HB VAL 597 HB VAL 597 4.221 -18.312 3.207 736 1HG1 VAL 597 1HG1 VAL 597 6.095 -19.853 3.379 737 2HG1 VAL 597 2HG1 VAL 597 6.234 -18.570 4.585 738 3HG1 VAL 597 3HG1 VAL 597 7.223 -18.522 3.125 739 1HG2 VAL 597 1HG2 VAL 597 6.300 -16.195 2.693 740 2HG2 VAL 597 2HG2 VAL 597 5.339 -16.353 4.163 741 3HG2 VAL 597 3HG2 VAL 597 4.551 -15.973 2.632 742 H GLU 598 H GLU 598 3.072 -19.429 0.946 743 HA GLU 598 HA GLU 598 4.049 -22.172 0.954 744 1HB GLU 598 1HB GLU 598 1.227 -21.132 0.601 745 2HB GLU 598 2HB GLU 598 1.712 -22.765 1.011 746 1HG GLU 598 1HG GLU 598 2.126 -20.356 2.766 747 2HG GLU 598 2HG GLU 598 0.812 -21.519 2.929 748 H MET 599 H MET 599 3.554 -23.546 -0.861 749 HA MET 599 HA MET 599 3.737 -22.191 -3.450 750 1HB MET 599 1HB MET 599 3.577 -25.116 -2.811 751 2HB MET 599 2HB MET 599 4.033 -24.417 -4.354 752 1HG MET 599 1HG MET 599 6.071 -23.550 -3.387 753 2HG MET 599 2HG MET 599 5.593 -24.151 -1.797 754 1HE MET 599 1HE MET 599 5.532 -28.037 -2.424 755 2HE MET 599 2HE MET 599 4.185 -26.972 -2.781 756 3HE MET 599 3HE MET 599 5.119 -26.734 -1.308 757 H SER 600 H SER 600 1.502 -23.676 -1.388 758 HA SER 600 HA SER 600 -0.367 -24.923 -2.874 759 1HB SER 600 1HB SER 600 -0.849 -23.130 -0.518 760 2HB SER 600 2HB SER 600 -1.777 -24.560 -1.002 761 HG SER 600 HG SER 600 -0.064 -25.841 -0.523 762 H GLU 601 H GLU 601 -1.506 -24.225 -4.576 763 HA GLU 601 HA GLU 601 -2.858 -21.665 -4.408 764 1HB GLU 601 1HB GLU 601 -2.337 -21.127 -6.717 765 2HB GLU 601 2HB GLU 601 -0.839 -21.295 -5.815 766 1HG GLU 601 1HG GLU 601 -0.564 -23.548 -6.791 767 2HG GLU 601 2HG GLU 601 -2.044 -23.305 -7.713 768 H LYS 602 H LYS 602 -4.883 -21.748 -5.333 769 HA LYS 602 HA LYS 602 -5.759 -24.387 -6.152 770 1HB LYS 602 1HB LYS 602 -7.152 -22.887 -4.608 771 2HB LYS 602 2HB LYS 602 -7.443 -21.853 -5.997 772 1HG LYS 602 1HG LYS 602 -8.497 -23.753 -7.157 773 2HG LYS 602 2HG LYS 602 -8.275 -24.733 -5.710 774 1HD LYS 602 1HD LYS 602 -9.959 -22.231 -5.966 775 2HD LYS 602 2HD LYS 602 -10.544 -23.880 -5.785 776 1HE LYS 602 1HE LYS 602 -8.970 -22.307 -3.741 777 2HE LYS 602 2HE LYS 602 -10.693 -22.645 -3.676 778 1HZ LYS 602 1HZ LYS 602 -10.204 -24.989 -3.422 779 2HZ LYS 602 2HZ LYS 602 -9.352 -24.119 -2.254 780 3HZ LYS 602 3HZ LYS 602 -8.557 -24.708 -3.592 781 H LYS 603 H LYS 603 -4.773 -24.654 -7.986 782 HA LYS 603 HA LYS 603 -4.057 -22.849 -9.926 783 1HB LYS 603 1HB LYS 603 -3.736 -24.822 -11.389 784 2HB LYS 603 2HB LYS 603 -3.010 -24.967 -9.790 785 1HG LYS 603 1HG LYS 603 -4.887 -26.303 -9.042 786 2HG LYS 603 2HG LYS 603 -5.643 -26.136 -10.624 787 1HD LYS 603 1HD LYS 603 -3.857 -27.371 -11.651 788 2HD LYS 603 2HD LYS 603 -2.969 -27.425 -10.122 789 1HE LYS 603 1HE LYS 603 -5.689 -28.631 -10.600 790 2HE LYS 603 2HE LYS 603 -4.171 -29.518 -10.591 791 1HZ LYS 603 1HZ LYS 603 -5.255 -28.007 -8.259 792 2HZ LYS 603 2HZ LYS 603 -3.843 -28.898 -8.291 793 3HZ LYS 603 3HZ LYS 603 -5.319 -29.676 -8.470 794 H GLY 604 H GLY 604 -4.682 -22.599 -12.092 795 1HA GLY 604 1HA GLY 604 -7.560 -22.436 -12.470 796 2HA GLY 604 2HA GLY 604 -6.330 -21.771 -13.532 797 H GLY 605 H GLY 605 -7.251 -24.974 -12.348 798 1HA GLY 605 1HA GLY 605 -7.965 -26.826 -13.578 799 2HA GLY 605 2HA GLY 605 -7.724 -25.902 -15.056 800 H PHE 606 H PHE 606 -5.475 -25.415 -15.591 801 HA PHE 606 HA PHE 606 -3.443 -27.185 -14.600 802 1HB PHE 606 1HB PHE 606 -4.616 -28.617 -16.274 803 2HB PHE 606 2HB PHE 606 -4.366 -27.364 -17.482 804 HD1 PHE 606 HD1 PHE 606 -2.274 -27.125 -18.597 805 HD2 PHE 606 HD2 PHE 606 -2.699 -29.903 -15.418 806 HE1 PHE 606 HE1 PHE 606 -0.117 -28.132 -19.193 807 HE2 PHE 606 HE2 PHE 606 -0.543 -30.914 -16.003 808 HZ PHE 606 HZ PHE 606 0.754 -30.026 -17.891 809 H THR 607 H THR 607 -1.543 -26.095 -14.724 810 HA THR 607 HA THR 607 -1.450 -23.809 -16.509 811 HB THR 607 HB THR 607 0.558 -23.228 -15.028 812 HG1 THR 607 HG1 THR 607 0.908 -24.445 -13.320 813 1HG2 THR 607 1HG2 THR 607 -2.218 -23.221 -13.813 814 2HG2 THR 607 2HG2 THR 607 -1.566 -22.005 -14.908 815 3HG2 THR 607 3HG2 THR 607 -0.880 -22.197 -13.295 816 H ILE 608 H ILE 608 -0.177 -24.009 -18.256 817 HA ILE 608 HA ILE 608 1.436 -26.376 -18.569 818 HB ILE 608 HB ILE 608 1.268 -23.957 -20.384 819 1HG1 ILE 608 1HG1 ILE 608 -0.304 -26.540 -20.565 820 2HG1 ILE 608 2HG1 ILE 608 -0.957 -24.983 -20.064 821 1HG2 ILE 608 1HG2 ILE 608 2.052 -25.505 -22.155 822 2HG2 ILE 608 2HG2 ILE 608 2.197 -26.786 -20.952 823 3HG2 ILE 608 3HG2 ILE 608 3.222 -25.354 -20.842 824 1HD1 ILE 608 1HD1 ILE 608 -0.510 -24.083 -22.283 825 2HD1 ILE 608 2HD1 ILE 608 -1.528 -25.521 -22.383 826 3HD1 ILE 608 3HD1 ILE 608 0.188 -25.623 -22.774 827 H THR 609 H THR 609 1.697 -23.309 -17.779 828 HA THR 609 HA THR 609 4.607 -23.181 -17.932 829 HB THR 609 HB THR 609 2.771 -20.960 -17.064 830 HG1 THR 609 HG1 THR 609 3.511 -21.937 -19.612 831 1HG2 THR 609 1HG2 THR 609 5.533 -20.979 -18.315 832 2HG2 THR 609 2HG2 THR 609 5.178 -20.657 -16.619 833 3HG2 THR 609 3HG2 THR 609 4.621 -19.539 -17.864 834 H GLU 610 H GLU 610 5.065 -24.599 -16.229 835 HA GLU 610 HA GLU 610 4.284 -23.877 -13.534 836 1HB GLU 610 1HB GLU 610 6.321 -25.885 -14.554 837 2HB GLU 610 2HB GLU 610 5.900 -25.667 -12.865 838 1HG GLU 610 1HG GLU 610 3.639 -26.401 -13.293 839 2HG GLU 610 2HG GLU 610 3.983 -26.518 -15.020 840 H GLU 611 H GLU 611 6.318 -22.791 -15.789 841 HA GLU 611 HA GLU 611 8.620 -22.046 -14.304 842 1HB GLU 611 1HB GLU 611 7.544 -20.803 -16.828 843 2HB GLU 611 2HB GLU 611 9.182 -20.708 -16.211 844 1HG GLU 611 1HG GLU 611 9.508 -23.060 -16.617 845 2HG GLU 611 2HG GLU 611 7.823 -23.207 -17.130 846 H TYR 612 H TYR 612 7.700 -20.989 -12.444 847 HA TYR 612 HA TYR 612 6.433 -18.459 -13.056 848 1HB TYR 612 1HB TYR 612 7.044 -19.698 -10.364 849 2HB TYR 612 2HB TYR 612 6.185 -18.186 -10.615 850 HD1 TYR 612 HD1 TYR 612 4.100 -18.479 -12.334 851 HD2 TYR 612 HD2 TYR 612 5.755 -21.528 -9.875 852 HE1 TYR 612 HE1 TYR 612 1.964 -19.699 -12.412 853 HE2 TYR 612 HE2 TYR 612 3.629 -22.749 -9.959 854 HH TYR 612 HH TYR 612 1.176 -22.091 -10.297 855 H ASP 613 H ASP 613 8.104 -17.546 -14.078 856 HA ASP 613 HA ASP 613 10.446 -16.918 -12.429 857 1HB ASP 613 1HB ASP 613 10.665 -18.314 -14.640 858 2HB ASP 613 2HB ASP 613 10.383 -16.773 -15.430 859 H ASP 614 H ASP 614 8.920 -15.330 -11.652 860 HA ASP 614 HA ASP 614 8.905 -12.955 -13.338 861 1HB ASP 614 1HB ASP 614 6.476 -14.124 -11.983 862 2HB ASP 614 2HB ASP 614 6.576 -12.432 -12.426 863 H LYS 615 H LYS 615 10.518 -12.092 -12.001 864 HA LYS 615 HA LYS 615 9.300 -11.108 -9.540 865 1HB LYS 615 1HB LYS 615 12.290 -11.419 -10.012 866 2HB LYS 615 2HB LYS 615 11.550 -10.773 -8.560 867 1HG LYS 615 1HG LYS 615 11.383 -13.613 -9.550 868 2HG LYS 615 2HG LYS 615 12.381 -13.049 -8.229 869 1HD LYS 615 1HD LYS 615 9.343 -12.983 -8.248 870 2HD LYS 615 2HD LYS 615 10.299 -14.265 -7.527 871 1HE LYS 615 1HE LYS 615 9.707 -12.929 -5.707 872 2HE LYS 615 2HE LYS 615 11.336 -12.392 -6.085 873 1HZ LYS 615 1HZ LYS 615 10.365 -10.428 -7.203 874 2HZ LYS 615 2HZ LYS 615 9.791 -10.572 -5.626 875 3HZ LYS 615 3HZ LYS 615 8.821 -11.055 -6.893 876 H GLN 616 H GLN 616 8.351 -9.558 -10.598 877 HA GLN 616 HA GLN 616 9.965 -7.490 -11.912 878 1HB GLN 616 1HB GLN 616 7.458 -8.771 -13.063 879 2HB GLN 616 2HB GLN 616 8.355 -7.448 -13.775 880 1HG GLN 616 1HG GLN 616 10.287 -9.023 -14.032 881 2HG GLN 616 2HG GLN 616 9.212 -10.315 -13.506 882 1HE2 GLN 616 1HE2 GLN 616 7.593 -11.077 -14.942 883 2HE2 GLN 616 2HE2 GLN 616 7.566 -10.557 -16.571 884 HA PRO 617 HA PRO 617 6.709 -5.052 -9.901 885 1HB PRO 617 1HB PRO 617 6.054 -3.640 -12.382 886 2HB PRO 617 2HB PRO 617 6.652 -2.979 -10.867 887 1HG PRO 617 1HG PRO 617 8.231 -3.088 -13.056 888 2HG PRO 617 2HG PRO 617 8.870 -3.270 -11.414 889 1HD PRO 617 1HD PRO 617 8.338 -5.356 -13.480 890 2HD PRO 617 2HD PRO 617 9.647 -5.254 -12.285 891 H LEU 618 H LEU 618 4.350 -4.514 -10.293 892 HA LEU 618 HA LEU 618 3.109 -6.932 -11.097 893 1HB LEU 618 1HB LEU 618 2.056 -4.323 -10.091 894 2HB LEU 618 2HB LEU 618 0.987 -5.669 -10.455 895 HG LEU 618 HG LEU 618 1.271 -5.617 -8.081 896 1HD1 LEU 618 1HD1 LEU 618 1.300 -7.841 -9.002 897 2HD1 LEU 618 2HD1 LEU 618 2.291 -7.735 -7.545 898 3HD1 LEU 618 3HD1 LEU 618 3.064 -7.783 -9.124 899 1HD2 LEU 618 1HD2 LEU 618 3.413 -5.674 -6.933 900 2HD2 LEU 618 2HD2 LEU 618 3.319 -4.243 -7.975 901 3HD2 LEU 618 3HD2 LEU 618 4.255 -5.651 -8.476 902 H THR 619 H THR 619 2.342 -7.416 -13.052 903 HA THR 619 HA THR 619 1.382 -5.379 -14.771 904 HB THR 619 HB THR 619 3.761 -5.115 -15.201 905 HG1 THR 619 HG1 THR 619 2.730 -4.790 -17.050 906 1HG2 THR 619 1HG2 THR 619 3.789 -8.056 -15.927 907 2HG2 THR 619 2HG2 THR 619 4.560 -7.333 -14.516 908 3HG2 THR 619 3HG2 THR 619 5.138 -6.937 -16.133 909 H SER 620 H SER 620 0.046 -6.141 -16.281 910 HA SER 620 HA SER 620 -0.059 -8.931 -17.056 911 1HB SER 620 1HB SER 620 -2.636 -8.719 -16.656 912 2HB SER 620 2HB SER 620 -1.605 -9.083 -15.274 913 HG SER 620 HG SER 620 -1.994 -7.244 -14.452 914 H LYS 621 H LYS 621 -0.007 -8.819 -19.203 915 HA LYS 621 HA LYS 621 -0.607 -6.282 -20.476 916 1HB LYS 621 1HB LYS 621 0.597 -8.816 -21.635 917 2HB LYS 621 2HB LYS 621 0.394 -7.311 -22.507 918 1HG LYS 621 1HG LYS 621 2.687 -7.449 -21.888 919 2HG LYS 621 2HG LYS 621 1.950 -6.250 -20.829 920 1HD LYS 621 1HD LYS 621 1.806 -7.932 -19.041 921 2HD LYS 621 2HD LYS 621 2.548 -9.125 -20.105 922 1HE LYS 621 1HE LYS 621 3.829 -6.546 -19.200 923 2HE LYS 621 2HE LYS 621 4.157 -8.125 -18.505 924 1HZ LYS 621 1HZ LYS 621 5.862 -7.590 -20.069 925 2HZ LYS 621 2HZ LYS 621 4.760 -7.215 -21.263 926 3HZ LYS 621 3HZ LYS 621 4.930 -8.815 -20.760 927 H GLU 622 H GLU 622 -1.226 -9.592 -21.537 928 HA GLU 622 HA GLU 622 -3.803 -8.793 -22.656 929 1HB GLU 622 1HB GLU 622 -2.344 -11.446 -22.703 930 2HB GLU 622 2HB GLU 622 -3.748 -11.019 -23.676 931 1HG GLU 622 1HG GLU 622 -2.486 -9.392 -24.900 932 2HG GLU 622 2HG GLU 622 -1.098 -9.607 -23.835 933 H GLU 623 H GLU 623 -2.438 -9.879 -19.964 934 HA GLU 623 HA GLU 623 -2.883 -10.605 -17.992 935 1HB GLU 623 1HB GLU 623 -4.830 -9.962 -16.814 936 2HB GLU 623 2HB GLU 623 -4.418 -8.691 -17.947 937 1HG GLU 623 1HG GLU 623 -6.205 -9.349 -19.398 938 2HG GLU 623 2HG GLU 623 -6.570 -10.739 -18.371 939 H GLU 624 H GLU 624 -5.079 -12.111 -20.213 940 HA GLU 624 HA GLU 624 -6.435 -13.949 -18.770 941 1HB GLU 624 1HB GLU 624 -6.603 -13.788 -21.187 942 2HB GLU 624 2HB GLU 624 -5.019 -14.519 -21.372 943 1HG GLU 624 1HG GLU 624 -5.913 -16.567 -20.270 944 2HG GLU 624 2HG GLU 624 -7.508 -15.819 -20.296 945 H GLU 625 H GLU 625 -3.317 -14.942 -20.173 946 HA GLU 625 HA GLU 625 -3.179 -17.324 -18.646 947 1HB GLU 625 1HB GLU 625 -2.077 -16.821 -20.872 948 2HB GLU 625 2HB GLU 625 -0.867 -15.923 -19.975 949 1HG GLU 625 1HG GLU 625 -0.032 -18.085 -20.478 950 2HG GLU 625 2HG GLU 625 -0.341 -17.994 -18.747 951 H ARG 626 H ARG 626 -1.828 -14.076 -18.252 952 HA ARG 626 HA ARG 626 0.030 -14.661 -16.231 953 1HB ARG 626 1HB ARG 626 -0.755 -12.415 -17.697 954 2HB ARG 626 2HB ARG 626 -1.168 -12.008 -16.042 955 1HG ARG 626 1HG ARG 626 1.569 -12.905 -16.952 956 2HG ARG 626 2HG ARG 626 1.079 -11.230 -16.729 957 1HD ARG 626 1HD ARG 626 0.750 -11.605 -14.367 958 2HD ARG 626 2HD ARG 626 1.073 -13.328 -14.560 959 HE ARG 626 HE ARG 626 3.331 -12.567 -15.373 960 1HH1 ARG 626 1HH1 ARG 626 1.562 -10.907 -12.748 961 2HH1 ARG 626 2HH1 ARG 626 2.912 -10.132 -12.133 962 1HH2 ARG 626 1HH2 ARG 626 5.218 -11.585 -14.429 963 2HH2 ARG 626 2HH2 ARG 626 5.066 -10.516 -13.096 964 H ARG 627 H ARG 627 -3.386 -13.527 -16.125 965 HA ARG 627 HA ARG 627 -3.647 -13.117 -13.469 966 1HB ARG 627 1HB ARG 627 -5.028 -12.348 -15.368 967 2HB ARG 627 2HB ARG 627 -5.676 -13.975 -15.494 968 1HG ARG 627 1HG ARG 627 -6.485 -13.837 -13.280 969 2HG ARG 627 2HG ARG 627 -5.770 -12.207 -13.170 970 1HD ARG 627 1HD ARG 627 -8.196 -12.061 -13.653 971 2HD ARG 627 2HD ARG 627 -7.192 -11.437 -14.974 972 HE ARG 627 HE ARG 627 -8.069 -14.191 -15.125 973 1HH1 ARG 627 1HH1 ARG 627 -8.436 -10.840 -16.345 974 2HH1 ARG 627 2HH1 ARG 627 -9.435 -11.332 -17.624 975 1HH2 ARG 627 1HH2 ARG 627 -9.402 -14.775 -16.920 976 2HH2 ARG 627 2HH2 ARG 627 -9.995 -13.572 -17.981 977 H ILE 628 H ILE 628 -3.867 -16.040 -15.371 978 HA ILE 628 HA ILE 628 -5.125 -17.654 -13.434 979 HB ILE 628 HB ILE 628 -3.235 -18.345 -15.692 980 1HG1 ILE 628 1HG1 ILE 628 -6.227 -18.621 -15.483 981 2HG1 ILE 628 2HG1 ILE 628 -5.447 -17.228 -16.211 982 1HG2 ILE 628 1HG2 ILE 628 -4.973 -20.197 -14.052 983 2HG2 ILE 628 2HG2 ILE 628 -3.214 -20.102 -14.006 984 3HG2 ILE 628 3HG2 ILE 628 -4.026 -20.662 -15.475 985 1HD1 ILE 628 1HD1 ILE 628 -5.295 -20.095 -17.141 986 2HD1 ILE 628 2HD1 ILE 628 -4.429 -18.746 -17.870 987 3HD1 ILE 628 3HD1 ILE 628 -6.194 -18.780 -17.906 988 H ALA 629 H ALA 629 -1.798 -16.782 -14.041 989 HA ALA 629 HA ALA 629 -0.789 -18.445 -11.968 990 1HB ALA 629 1HB ALA 629 0.630 -17.882 -13.879 991 2HB ALA 629 2HB ALA 629 1.367 -17.299 -12.385 992 3HB ALA 629 3HB ALA 629 0.539 -16.172 -13.459 993 H GLU 630 H GLU 630 -1.911 -15.163 -12.331 994 HA GLU 630 HA GLU 630 -1.062 -14.094 -9.788 995 1HB GLU 630 1HB GLU 630 -3.416 -13.148 -11.418 996 2HB GLU 630 2HB GLU 630 -2.465 -12.224 -10.278 997 1HG GLU 630 1HG GLU 630 -1.497 -13.240 -12.936 998 2HG GLU 630 2HG GLU 630 -2.064 -11.612 -12.613 999 H MET 631 H MET 631 -3.352 -16.381 -10.628 1000 HA MET 631 HA MET 631 -5.115 -15.774 -8.466 1001 1HB MET 631 1HB MET 631 -6.011 -16.467 -10.631 1002 2HB MET 631 2HB MET 631 -5.037 -17.926 -10.580 1003 1HG MET 631 1HG MET 631 -6.251 -18.773 -8.812 1004 2HG MET 631 2HG MET 631 -7.130 -17.253 -8.577 1005 1HE MET 631 1HE MET 631 -6.255 -18.916 -12.040 1006 2HE MET 631 2HE MET 631 -7.663 -19.942 -12.316 1007 3HE MET 631 3HE MET 631 -6.549 -20.307 -10.999 1008 H GLY 632 H GLY 632 -2.273 -17.442 -9.189 1009 1HA GLY 632 1HA GLY 632 -2.572 -19.185 -6.865 1010 2HA GLY 632 2HA GLY 632 -1.320 -19.367 -8.104 1011 H ARG 633 H ARG 633 -0.568 -16.685 -8.251 1012 HA ARG 633 HA ARG 633 0.837 -16.287 -5.745 1013 1HB ARG 633 1HB ARG 633 1.024 -15.026 -8.464 1014 2HB ARG 633 2HB ARG 633 1.790 -14.315 -7.060 1015 1HG ARG 633 1HG ARG 633 3.070 -16.411 -6.778 1016 2HG ARG 633 2HG ARG 633 2.361 -16.979 -8.300 1017 1HD ARG 633 1HD ARG 633 3.319 -15.194 -9.517 1018 2HD ARG 633 2HD ARG 633 3.804 -14.366 -8.041 1019 HE ARG 633 HE ARG 633 4.953 -16.970 -8.397 1020 1HH1 ARG 633 1HH1 ARG 633 5.322 -13.497 -8.870 1021 2HH1 ARG 633 2HH1 ARG 633 6.984 -13.545 -9.191 1022 1HH2 ARG 633 1HH2 ARG 633 7.224 -17.082 -8.747 1023 2HH2 ARG 633 2HH2 ARG 633 8.154 -15.692 -9.101 1024 HA PRO 634 HA PRO 634 -2.094 -13.121 -4.794 1025 1HB PRO 634 1HB PRO 634 -0.761 -11.825 -2.894 1026 2HB PRO 634 2HB PRO 634 -1.490 -13.395 -2.594 1027 1HG PRO 634 1HG PRO 634 1.400 -12.753 -3.045 1028 2HG PRO 634 2HG PRO 634 0.659 -13.996 -2.031 1029 1HD PRO 634 1HD PRO 634 1.753 -14.397 -4.537 1030 2HD PRO 634 2HD PRO 634 0.611 -15.480 -3.721 1031 H ILE 635 H ILE 635 -2.365 -10.810 -5.118 1032 HA ILE 635 HA ILE 635 -0.123 -9.504 -6.356 1033 HB ILE 635 HB ILE 635 -1.774 -8.719 -8.214 1034 1HG1 ILE 635 1HG1 ILE 635 -3.286 -10.585 -9.004 1035 2HG1 ILE 635 2HG1 ILE 635 -3.027 -11.385 -7.465 1036 1HG2 ILE 635 1HG2 ILE 635 -1.008 -10.498 -9.692 1037 2HG2 ILE 635 2HG2 ILE 635 -0.482 -11.417 -8.282 1038 3HG2 ILE 635 3HG2 ILE 635 0.269 -9.866 -8.654 1039 1HD1 ILE 635 1HD1 ILE 635 -5.166 -10.241 -7.535 1040 2HD1 ILE 635 2HD1 ILE 635 -4.353 -8.713 -7.885 1041 3HD1 ILE 635 3HD1 ILE 635 -4.109 -9.505 -6.329 1042 H LEU 636 H LEU 636 -1.161 -7.284 -7.287 1043 HA LEU 636 HA LEU 636 -1.891 -5.939 -4.873 1044 1HB LEU 636 1HB LEU 636 -1.444 -3.885 -6.003 1045 2HB LEU 636 2HB LEU 636 -0.201 -4.998 -6.490 1046 HG LEU 636 HG LEU 636 -0.613 -3.830 -8.409 1047 1HD1 LEU 636 1HD1 LEU 636 -2.453 -6.132 -8.679 1048 2HD1 LEU 636 2HD1 LEU 636 -0.717 -6.116 -9.006 1049 3HD1 LEU 636 3HD1 LEU 636 -1.826 -5.190 -10.035 1050 1HD2 LEU 636 1HD2 LEU 636 -2.467 -2.492 -7.658 1051 2HD2 LEU 636 2HD2 LEU 636 -3.568 -3.855 -7.845 1052 3HD2 LEU 636 3HD2 LEU 636 -2.809 -3.135 -9.266 1053 H GLY 637 H GLY 637 -3.719 -4.798 -4.550 1054 1HA GLY 637 1HA GLY 637 -6.084 -5.943 -5.784 1055 2HA GLY 637 2HA GLY 637 -6.067 -4.863 -4.408 1056 H GLU 638 H GLU 638 -6.574 -2.814 -4.728 1057 HA GLU 638 HA GLU 638 -7.250 -2.092 -7.446 1058 1HB GLU 638 1HB GLU 638 -8.939 -1.922 -5.683 1059 2HB GLU 638 2HB GLU 638 -7.913 -0.793 -4.815 1060 1HG GLU 638 1HG GLU 638 -9.706 0.369 -6.000 1061 2HG GLU 638 2HG GLU 638 -8.133 0.803 -6.673 1062 H HIS 639 H HIS 639 -5.857 -0.395 -4.641 1063 HA HIS 639 HA HIS 639 -4.006 0.810 -6.510 1064 1HB HIS 639 1HB HIS 639 -4.254 3.023 -5.352 1065 2HB HIS 639 2HB HIS 639 -5.661 2.530 -6.274 1066 HD1 HIS 639 HD1 HIS 639 -4.558 3.382 -2.794 1067 HD2 HIS 639 HD2 HIS 639 -7.932 1.894 -4.714 1068 HE1 HIS 639 HE1 HIS 639 -6.442 3.564 -1.148 1069 H THR 640 H THR 640 -2.072 0.234 -5.940 1070 HA THR 640 HA THR 640 -1.534 0.141 -3.114 1071 HB THR 640 HB THR 640 0.588 -1.059 -3.960 1072 HG1 THR 640 HG1 THR 640 0.563 -1.744 -6.037 1073 1HG2 THR 640 1HG2 THR 640 -2.108 -2.324 -4.495 1074 2HG2 THR 640 2HG2 THR 640 -1.331 -2.215 -2.919 1075 3HG2 THR 640 3HG2 THR 640 -0.600 -3.192 -4.192 1076 H LYS 641 H LYS 641 -1.342 2.263 -2.759 1077 HA LYS 641 HA LYS 641 1.007 3.674 -3.357 1078 1HB LYS 641 1HB LYS 641 -0.355 3.749 -5.579 1079 2HB LYS 641 2HB LYS 641 -1.516 4.708 -4.697 1080 1HG LYS 641 1HG LYS 641 1.356 5.471 -5.276 1081 2HG LYS 641 2HG LYS 641 -0.077 6.091 -6.097 1082 1HD LYS 641 1HD LYS 641 -0.774 6.953 -3.799 1083 2HD LYS 641 2HD LYS 641 0.859 6.562 -3.289 1084 1HE LYS 641 1HE LYS 641 0.844 8.889 -3.914 1085 2HE LYS 641 2HE LYS 641 1.728 8.003 -5.145 1086 1HZ LYS 641 1HZ LYS 641 -1.094 8.897 -5.354 1087 2HZ LYS 641 2HZ LYS 641 -0.269 8.085 -6.573 1088 3HZ LYS 641 3HZ LYS 641 0.209 9.639 -6.096 1089 H LEU 642 H LEU 642 1.091 4.777 -1.558 1090 HA LEU 642 HA LEU 642 -1.354 5.853 -0.254 1091 1HB LEU 642 1HB LEU 642 -0.350 3.983 0.982 1092 2HB LEU 642 2HB LEU 642 1.197 4.816 0.907 1093 HG LEU 642 HG LEU 642 0.159 6.691 2.158 1094 1HD1 LEU 642 1HD1 LEU 642 -1.828 6.171 3.484 1095 2HD1 LEU 642 2HD1 LEU 642 -2.065 4.717 2.511 1096 3HD1 LEU 642 3HD1 LEU 642 -2.141 6.326 1.756 1097 1HD2 LEU 642 1HD2 LEU 642 0.293 5.580 4.290 1098 2HD2 LEU 642 2HD2 LEU 642 1.624 5.123 3.219 1099 3HD2 LEU 642 3HD2 LEU 642 0.276 4.009 3.485 1100 H GLU 643 H GLU 643 -1.185 7.925 -0.858 1101 HA GLU 643 HA GLU 643 1.407 9.195 -1.013 1102 1HB GLU 643 1HB GLU 643 -0.609 9.496 -2.607 1103 2HB GLU 643 2HB GLU 643 -1.291 10.447 -1.305 1104 1HG GLU 643 1HG GLU 643 0.489 12.031 -1.433 1105 2HG GLU 643 2HG GLU 643 1.325 11.034 -2.624 1106 H VAL 644 H VAL 644 2.189 9.486 1.052 1107 HA VAL 644 HA VAL 644 0.396 10.417 3.149 1108 HB VAL 644 HB VAL 644 3.371 9.999 3.274 1109 1HG1 VAL 644 1HG1 VAL 644 1.296 9.963 5.454 1110 2HG1 VAL 644 2HG1 VAL 644 2.371 11.298 5.068 1111 3HG1 VAL 644 3HG1 VAL 644 3.043 9.785 5.659 1112 1HG2 VAL 644 1HG2 VAL 644 2.319 7.938 2.480 1113 2HG2 VAL 644 2HG2 VAL 644 1.243 7.956 3.886 1114 3HG2 VAL 644 3HG2 VAL 644 2.980 7.754 4.101 1115 H ILE 645 H ILE 645 -0.028 12.557 2.894 1116 HA ILE 645 HA ILE 645 2.218 14.273 2.244 1117 HB ILE 645 HB ILE 645 -0.713 15.012 2.615 1118 1HG1 ILE 645 1HG1 ILE 645 -0.341 15.706 0.095 1119 2HG1 ILE 645 2HG1 ILE 645 1.000 14.594 0.185 1120 1HG2 ILE 645 1HG2 ILE 645 0.666 16.845 3.334 1121 2HG2 ILE 645 2HG2 ILE 645 -0.099 17.245 1.791 1122 3HG2 ILE 645 3HG2 ILE 645 1.601 16.760 1.841 1123 1HD1 ILE 645 1HD1 ILE 645 -0.512 12.784 0.780 1124 2HD1 ILE 645 2HD1 ILE 645 -0.991 13.537 -0.743 1125 3HD1 ILE 645 3HD1 ILE 645 -1.857 13.914 0.738 1126 H ILE 646 H ILE 646 3.323 15.315 3.726 1127 HA ILE 646 HA ILE 646 2.364 15.184 6.484 1128 HB ILE 646 HB ILE 646 5.252 15.643 5.594 1129 1HG1 ILE 646 1HG1 ILE 646 5.673 13.282 6.437 1130 2HG1 ILE 646 2HG1 ILE 646 3.932 13.051 6.413 1131 1HG2 ILE 646 1HG2 ILE 646 4.089 14.880 8.271 1132 2HG2 ILE 646 2HG2 ILE 646 4.794 16.455 7.874 1133 3HG2 ILE 646 3HG2 ILE 646 5.797 15.005 7.917 1134 1HD1 ILE 646 1HD1 ILE 646 3.890 13.394 4.043 1135 2HD1 ILE 646 2HD1 ILE 646 5.066 12.130 4.436 1136 3HD1 ILE 646 3HD1 ILE 646 5.600 13.766 4.031 1137 H GLU 647 H GLU 647 1.471 16.954 6.934 1138 HA GLU 647 HA GLU 647 2.479 19.427 5.806 1139 1HB GLU 647 1HB GLU 647 0.199 20.279 6.629 1140 2HB GLU 647 2HB GLU 647 0.212 19.216 5.229 1141 1HG GLU 647 1HG GLU 647 -0.431 17.338 6.621 1142 2HG GLU 647 2HG GLU 647 -0.385 18.347 8.058 1143 H GLU 648 H GLU 648 3.101 21.090 7.125 1144 HA GLU 648 HA GLU 648 3.990 20.576 9.714 1145 1HB GLU 648 1HB GLU 648 3.092 23.330 8.775 1146 2HB GLU 648 2HB GLU 648 4.305 22.963 9.984 1147 1HG GLU 648 1HG GLU 648 4.539 22.643 6.994 1148 2HG GLU 648 2HG GLU 648 5.396 23.773 8.019 1149 H SER 649 H SER 649 3.004 20.732 11.693 1150 HA SER 649 HA SER 649 0.408 19.835 11.729 1151 1HB SER 649 1HB SER 649 2.188 19.447 13.471 1152 2HB SER 649 2HB SER 649 1.818 21.060 14.078 1153 HG SER 649 HG SER 649 0.613 19.752 15.248 1154 H TYR 650 H TYR 650 -1.374 20.665 11.666 1155 HA TYR 650 HA TYR 650 -1.961 23.448 12.333 1156 1HB TYR 650 1HB TYR 650 -1.661 23.512 9.979 1157 2HB TYR 650 2HB TYR 650 -2.339 21.919 9.758 1158 HD1 TYR 650 HD1 TYR 650 -3.123 25.497 10.206 1159 HD2 TYR 650 HD2 TYR 650 -4.668 21.618 9.450 1160 HE1 TYR 650 HE1 TYR 650 -5.240 26.486 9.424 1161 HE2 TYR 650 HE2 TYR 650 -6.758 22.547 8.699 1162 HH TYR 650 HH TYR 650 -7.071 25.790 7.894 1163 H GLU 651 H GLU 651 -3.487 20.545 11.015 1164 HA GLU 651 HA GLU 651 -5.012 20.015 13.373 1165 1HB GLU 651 1HB GLU 651 -6.349 20.811 10.765 1166 2HB GLU 651 2HB GLU 651 -7.167 19.831 11.962 1167 1HG GLU 651 1HG GLU 651 -6.870 21.680 13.593 1168 2HG GLU 651 2HG GLU 651 -6.200 22.655 12.287 1169 H PHE 652 H PHE 652 -6.714 18.156 12.207 1170 HA PHE 652 HA PHE 652 -4.964 16.428 10.665 1171 1HB PHE 652 1HB PHE 652 -4.610 15.922 13.052 1172 2HB PHE 652 2HB PHE 652 -6.342 15.561 13.171 1173 HD1 PHE 652 HD1 PHE 652 -7.102 13.388 12.768 1174 HD2 PHE 652 HD2 PHE 652 -3.249 14.541 11.388 1175 HE1 PHE 652 HE1 PHE 652 -6.653 11.064 12.099 1176 HE2 PHE 652 HE2 PHE 652 -2.789 12.231 10.717 1177 HZ PHE 652 HZ PHE 652 -4.493 10.479 11.073 1178 H LYS 653 H LYS 653 -6.251 16.784 9.069 1179 HA LYS 653 HA LYS 653 -8.856 15.407 9.158 1180 1HB LYS 653 1HB LYS 653 -8.150 17.814 7.497 1181 2HB LYS 653 2HB LYS 653 -9.632 16.892 7.331 1182 1HG LYS 653 1HG LYS 653 -10.115 17.470 9.745 1183 2HG LYS 653 2HG LYS 653 -8.765 18.607 9.641 1184 1HD LYS 653 1HD LYS 653 -11.171 18.558 7.859 1185 2HD LYS 653 2HD LYS 653 -10.942 19.685 9.197 1186 1HE LYS 653 1HE LYS 653 -8.972 20.609 8.072 1187 2HE LYS 653 2HE LYS 653 -9.166 19.450 6.762 1188 1HZ LYS 653 1HZ LYS 653 -10.016 21.627 6.205 1189 2HZ LYS 653 2HZ LYS 653 -11.140 21.549 7.464 1190 3HZ LYS 653 3HZ LYS 653 -11.236 20.466 6.166 1191 H SER 654 H SER 654 -8.851 13.653 7.888 1192 HA SER 654 HA SER 654 -6.661 13.390 6.052 1193 1HB SER 654 1HB SER 654 -7.564 11.008 5.856 1194 2HB SER 654 2HB SER 654 -6.950 11.483 7.439 1195 HG SER 654 HG SER 654 -9.612 11.119 6.570 1196 H THR 655 H THR 655 -7.359 14.932 4.545 1197 HA THR 655 HA THR 655 -9.801 14.565 3.162 1198 HB THR 655 HB THR 655 -8.772 16.778 3.172 1199 HG1 THR 655 HG1 THR 655 -8.456 16.425 0.501 1200 1HG2 THR 655 1HG2 THR 655 -6.547 15.579 1.509 1201 2HG2 THR 655 2HG2 THR 655 -6.402 16.166 3.165 1202 3HG2 THR 655 3HG2 THR 655 -6.752 17.296 1.856 1203 H VAL 656 H VAL 656 -10.289 13.314 1.484 1204 HA VAL 656 HA VAL 656 -10.225 11.540 0.148 1205 HB VAL 656 HB VAL 656 -7.269 12.074 -0.199 1206 1HG1 VAL 656 1HG1 VAL 656 -7.902 9.833 -0.925 1207 2HG1 VAL 656 2HG1 VAL 656 -7.498 10.825 -2.328 1208 3HG1 VAL 656 3HG1 VAL 656 -9.186 10.502 -1.931 1209 1HG2 VAL 656 1HG2 VAL 656 -7.878 13.257 -2.291 1210 2HG2 VAL 656 2HG2 VAL 656 -8.540 14.032 -0.847 1211 3HG2 VAL 656 3HG2 VAL 656 -9.581 13.042 -1.869 1212 H ASP 657 H ASP 657 -10.725 10.372 1.779 1213 HA ASP 657 HA ASP 657 -8.852 9.218 3.651 1214 1HB ASP 657 1HB ASP 657 -11.783 8.561 3.197 1215 2HB ASP 657 2HB ASP 657 -10.811 7.887 4.485 Start of MODEL 20 1 1H HIS 501 1H HIS 501 -2.196 -18.306 -2.817 2 HA HIS 501 HA HIS 501 -4.476 -18.643 -4.240 3 1HB HIS 501 1HB HIS 501 -5.233 -19.386 -1.828 4 2HB HIS 501 2HB HIS 501 -5.055 -17.690 -1.415 5 HD1 HIS 501 HD1 HIS 501 -7.230 -20.040 -3.391 6 HD2 HIS 501 HD2 HIS 501 -7.105 -16.033 -2.304 7 HE1 HIS 501 HE1 HIS 501 -9.453 -19.074 -4.047 8 H ALA 502 H ALA 502 -5.507 -16.175 -4.257 9 HA ALA 502 HA ALA 502 -3.361 -14.329 -3.650 10 1HB ALA 502 1HB ALA 502 -3.759 -13.237 -5.813 11 2HB ALA 502 2HB ALA 502 -4.912 -14.498 -6.260 12 3HB ALA 502 3HB ALA 502 -3.205 -14.890 -6.044 13 H GLY 503 H GLY 503 -5.134 -12.221 -4.950 14 1HA GLY 503 1HA GLY 503 -7.674 -12.299 -4.054 15 2HA GLY 503 2HA GLY 503 -6.729 -12.065 -2.655 16 H ILE 504 H ILE 504 -7.243 -10.195 -2.059 17 HA ILE 504 HA ILE 504 -6.579 -7.920 -3.759 18 HB ILE 504 HB ILE 504 -8.723 -8.271 -1.666 19 1HG1 ILE 504 1HG1 ILE 504 -10.204 -7.227 -3.526 20 2HG1 ILE 504 2HG1 ILE 504 -8.866 -7.601 -4.599 21 1HG2 ILE 504 1HG2 ILE 504 -7.879 -5.655 -2.895 22 2HG2 ILE 504 2HG2 ILE 504 -7.682 -6.141 -1.212 23 3HG2 ILE 504 3HG2 ILE 504 -9.297 -5.889 -1.872 24 1HD1 ILE 504 1HD1 ILE 504 -10.437 -9.581 -2.963 25 2HD1 ILE 504 2HD1 ILE 504 -9.092 -9.970 -4.035 26 3HD1 ILE 504 3HD1 ILE 504 -10.586 -9.308 -4.699 27 H PHE 505 H PHE 505 -4.913 -6.820 -2.973 28 HA PHE 505 HA PHE 505 -4.606 -6.547 -0.085 29 1HB PHE 505 1HB PHE 505 -2.336 -7.090 -2.047 30 2HB PHE 505 2HB PHE 505 -2.087 -6.523 -0.404 31 HD1 PHE 505 HD1 PHE 505 -2.694 -9.373 -2.522 32 HD2 PHE 505 HD2 PHE 505 -2.735 -8.009 1.505 33 HE1 PHE 505 HE1 PHE 505 -2.666 -11.702 -1.739 34 HE2 PHE 505 HE2 PHE 505 -2.704 -10.337 2.299 35 HZ PHE 505 HZ PHE 505 -2.669 -12.187 0.674 36 H THR 506 H THR 506 -5.153 -4.493 0.184 37 HA THR 506 HA THR 506 -3.998 -2.532 -1.613 38 HB THR 506 HB THR 506 -6.217 -3.219 -2.558 39 HG1 THR 506 HG1 THR 506 -6.583 -0.601 -1.610 40 1HG2 THR 506 1HG2 THR 506 -7.298 -2.060 0.014 41 2HG2 THR 506 2HG2 THR 506 -7.411 -3.746 -0.489 42 3HG2 THR 506 3HG2 THR 506 -8.277 -2.491 -1.380 43 H PHE 507 H PHE 507 -4.219 -0.354 -0.700 44 HA PHE 507 HA PHE 507 -4.267 -0.262 2.207 45 1HB PHE 507 1HB PHE 507 -4.034 1.932 0.127 46 2HB PHE 507 2HB PHE 507 -3.896 2.166 1.859 47 HD1 PHE 507 HD1 PHE 507 -1.930 1.342 3.049 48 HD2 PHE 507 HD2 PHE 507 -2.243 1.099 -1.173 49 HE1 PHE 507 HE1 PHE 507 0.499 1.070 2.893 50 HE2 PHE 507 HE2 PHE 507 0.190 0.802 -1.346 51 HZ PHE 507 HZ PHE 507 1.567 0.788 0.690 52 H GLU 508 H GLU 508 -5.822 0.871 3.366 53 HA GLU 508 HA GLU 508 -8.443 0.839 2.312 54 1HB GLU 508 1HB GLU 508 -7.450 0.793 4.789 55 2HB GLU 508 2HB GLU 508 -7.701 2.524 4.670 56 1HG GLU 508 1HG GLU 508 -9.780 0.385 4.368 57 2HG GLU 508 2HG GLU 508 -9.571 1.442 5.758 58 H GLU 509 H GLU 509 -6.156 3.438 3.056 59 HA GLU 509 HA GLU 509 -7.759 5.219 1.392 60 1HB GLU 509 1HB GLU 509 -6.924 7.072 2.799 61 2HB GLU 509 2HB GLU 509 -7.837 5.901 3.736 62 1HG GLU 509 1HG GLU 509 -5.509 4.901 4.294 63 2HG GLU 509 2HG GLU 509 -4.916 6.453 3.695 64 HA PRO 510 HA PRO 510 -3.968 5.316 -0.969 65 1HB PRO 510 1HB PRO 510 -4.780 6.886 -2.969 66 2HB PRO 510 2HB PRO 510 -5.408 5.242 -2.785 67 1HG PRO 510 1HG PRO 510 -6.679 7.846 -2.057 68 2HG PRO 510 2HG PRO 510 -7.413 6.409 -2.785 69 1HD PRO 510 1HD PRO 510 -7.554 7.039 -0.088 70 2HD PRO 510 2HD PRO 510 -7.742 5.409 -0.763 71 H VAL 511 H VAL 511 -5.463 7.971 0.559 72 HA VAL 511 HA VAL 511 -2.978 9.524 0.476 73 HB VAL 511 HB VAL 511 -5.774 10.710 0.079 74 1HG1 VAL 511 1HG1 VAL 511 -3.147 12.095 0.418 75 2HG1 VAL 511 2HG1 VAL 511 -4.474 12.081 1.573 76 3HG1 VAL 511 3HG1 VAL 511 -4.675 12.874 0.005 77 1HG2 VAL 511 1HG2 VAL 511 -4.661 9.748 -1.936 78 2HG2 VAL 511 2HG2 VAL 511 -3.387 10.982 -1.697 79 3HG2 VAL 511 3HG2 VAL 511 -5.046 11.469 -2.024 80 H THR 512 H THR 512 -2.412 10.157 2.392 81 HA THR 512 HA THR 512 -4.461 10.325 4.396 82 HB THR 512 HB THR 512 -3.300 8.019 4.455 83 HG1 THR 512 HG1 THR 512 -4.332 8.471 6.160 84 1HG2 THR 512 1HG2 THR 512 -1.104 7.919 5.579 85 2HG2 THR 512 2HG2 THR 512 -1.026 9.680 5.539 86 3HG2 THR 512 3HG2 THR 512 -1.035 8.767 4.025 87 H HIS 513 H HIS 513 -4.034 11.969 5.860 88 HA HIS 513 HA HIS 513 -1.600 13.521 5.350 89 1HB HIS 513 1HB HIS 513 -4.299 14.440 6.389 90 2HB HIS 513 2HB HIS 513 -2.854 15.439 6.420 91 HD1 HIS 513 HD1 HIS 513 -2.925 17.120 4.530 92 HD2 HIS 513 HD2 HIS 513 -4.647 13.456 3.522 93 HE1 HIS 513 HE1 HIS 513 -3.723 17.333 2.161 94 H VAL 514 H VAL 514 -0.354 14.041 7.050 95 HA VAL 514 HA VAL 514 -1.154 12.927 9.638 96 HB VAL 514 HB VAL 514 1.031 11.912 9.980 97 1HG1 VAL 514 1HG1 VAL 514 -0.675 10.423 9.164 98 2HG1 VAL 514 2HG1 VAL 514 0.871 9.989 8.415 99 3HG1 VAL 514 3HG1 VAL 514 -0.330 10.887 7.500 100 1HG2 VAL 514 1HG2 VAL 514 1.600 12.616 7.102 101 2HG2 VAL 514 2HG2 VAL 514 2.626 11.606 8.120 102 3HG2 VAL 514 3HG2 VAL 514 2.374 13.308 8.523 103 H SER 515 H SER 515 -0.114 13.658 11.339 104 HA SER 515 HA SER 515 0.414 16.385 11.380 105 1HB SER 515 1HB SER 515 1.023 14.137 13.259 106 2HB SER 515 2HB SER 515 0.885 15.836 13.705 107 HG SER 515 HG SER 515 -1.149 15.152 14.087 108 H GLU 516 H GLU 516 2.490 17.369 11.261 109 HA GLU 516 HA GLU 516 4.679 15.762 10.444 110 1HB GLU 516 1HB GLU 516 4.357 18.154 9.819 111 2HB GLU 516 2HB GLU 516 4.757 18.593 11.471 112 1HG GLU 516 1HG GLU 516 6.975 17.673 11.215 113 2HG GLU 516 2HG GLU 516 6.583 17.127 9.584 114 H SER 517 H SER 517 3.440 16.701 13.472 115 HA SER 517 HA SER 517 5.870 15.811 14.776 116 1HB SER 517 1HB SER 517 5.142 18.134 15.365 117 2HB SER 517 2HB SER 517 3.620 17.476 15.956 118 HG SER 517 HG SER 517 5.255 17.863 17.567 119 H ILE 518 H ILE 518 5.136 13.773 14.118 120 HA ILE 518 HA ILE 518 3.509 12.512 16.166 121 HB ILE 518 HB ILE 518 2.224 12.852 14.073 122 1HG1 ILE 518 1HG1 ILE 518 2.849 9.959 14.624 123 2HG1 ILE 518 2HG1 ILE 518 1.734 10.960 15.560 124 1HG2 ILE 518 1HG2 ILE 518 2.787 11.483 12.093 125 2HG2 ILE 518 2HG2 ILE 518 4.355 11.123 12.828 126 3HG2 ILE 518 3HG2 ILE 518 3.906 12.795 12.436 127 1HD1 ILE 518 1HD1 ILE 518 1.547 10.253 12.690 128 2HD1 ILE 518 2HD1 ILE 518 0.505 11.385 13.540 129 3HD1 ILE 518 3HD1 ILE 518 0.496 9.646 14.001 130 H GLY 519 H GLY 519 4.222 10.200 16.347 131 1HA GLY 519 1HA GLY 519 7.036 9.961 15.607 132 2HA GLY 519 2HA GLY 519 6.189 8.964 16.780 133 H ILE 520 H ILE 520 4.377 7.697 15.797 134 HA ILE 520 HA ILE 520 5.308 6.415 13.303 135 HB ILE 520 HB ILE 520 4.025 5.175 15.760 136 1HG1 ILE 520 1HG1 ILE 520 6.437 5.587 16.016 137 2HG1 ILE 520 2HG1 ILE 520 6.081 3.865 15.965 138 1HG2 ILE 520 1HG2 ILE 520 3.108 4.118 13.783 139 2HG2 ILE 520 2HG2 ILE 520 4.187 3.006 14.624 140 3HG2 ILE 520 3HG2 ILE 520 4.731 3.824 13.159 141 1HD1 ILE 520 1HD1 ILE 520 6.794 3.820 13.606 142 2HD1 ILE 520 2HD1 ILE 520 8.077 4.347 14.695 143 3HD1 ILE 520 3HD1 ILE 520 7.206 5.530 13.718 144 H MET 521 H MET 521 3.895 6.283 11.751 145 HA MET 521 HA MET 521 1.031 6.641 12.385 146 1HB MET 521 1HB MET 521 0.694 7.421 10.066 147 2HB MET 521 2HB MET 521 1.872 8.447 10.863 148 1HG MET 521 1HG MET 521 3.660 7.406 9.692 149 2HG MET 521 2HG MET 521 2.585 6.174 9.019 150 1HE MET 521 1HE MET 521 3.422 8.213 5.821 151 2HE MET 521 2HE MET 521 3.371 6.620 6.572 152 3HE MET 521 3HE MET 521 4.533 7.828 7.135 153 H GLU 522 H GLU 522 -0.337 5.108 11.728 154 HA GLU 522 HA GLU 522 0.934 2.801 10.455 155 1HB GLU 522 1HB GLU 522 -1.485 2.683 12.237 156 2HB GLU 522 2HB GLU 522 -0.530 1.358 11.614 157 1HG GLU 522 1HG GLU 522 0.185 1.407 13.789 158 2HG GLU 522 2HG GLU 522 1.362 2.496 13.044 159 H VAL 523 H VAL 523 0.024 2.120 8.666 160 HA VAL 523 HA VAL 523 -2.533 3.340 7.870 161 HB VAL 523 HB VAL 523 -0.368 2.274 6.052 162 1HG1 VAL 523 1HG1 VAL 523 -1.572 3.489 4.292 163 2HG1 VAL 523 2HG1 VAL 523 -2.774 4.004 5.470 164 3HG1 VAL 523 3HG1 VAL 523 -2.613 2.296 5.068 165 1HG2 VAL 523 1HG2 VAL 523 0.390 4.198 7.407 166 2HG2 VAL 523 2HG2 VAL 523 -0.933 5.164 6.730 167 3HG2 VAL 523 3HG2 VAL 523 0.338 4.523 5.684 168 H LYS 524 H LYS 524 -4.146 2.032 7.236 169 HA LYS 524 HA LYS 524 -3.876 -0.744 7.926 170 1HB LYS 524 1HB LYS 524 -6.250 0.976 7.295 171 2HB LYS 524 2HB LYS 524 -6.364 -0.749 7.605 172 1HG LYS 524 1HG LYS 524 -5.092 1.151 9.509 173 2HG LYS 524 2HG LYS 524 -6.827 0.767 9.586 174 1HD LYS 524 1HD LYS 524 -6.202 -1.605 9.831 175 2HD LYS 524 2HD LYS 524 -4.500 -1.154 9.830 176 1HE LYS 524 1HE LYS 524 -5.298 -1.553 12.048 177 2HE LYS 524 2HE LYS 524 -4.861 0.152 11.879 178 1HZ LYS 524 1HZ LYS 524 -7.281 0.623 11.617 179 2HZ LYS 524 2HZ LYS 524 -6.905 -0.089 13.091 180 3HZ LYS 524 3HZ LYS 524 -7.607 -1.014 11.888 181 H VAL 525 H VAL 525 -3.746 -2.296 6.690 182 HA VAL 525 HA VAL 525 -4.298 -2.045 3.797 183 HB VAL 525 HB VAL 525 -2.659 -4.244 5.017 184 1HG1 VAL 525 1HG1 VAL 525 -3.341 -4.517 2.707 185 2HG1 VAL 525 2HG1 VAL 525 -1.588 -4.318 2.824 186 3HG1 VAL 525 3HG1 VAL 525 -2.596 -2.965 2.306 187 1HG2 VAL 525 1HG2 VAL 525 -1.583 -1.567 4.196 188 2HG2 VAL 525 2HG2 VAL 525 -0.612 -2.985 4.624 189 3HG2 VAL 525 3HG2 VAL 525 -1.658 -2.225 5.829 190 H LEU 526 H LEU 526 -5.786 -3.413 2.999 191 HA LEU 526 HA LEU 526 -7.196 -5.045 4.950 192 1HB LEU 526 1HB LEU 526 -8.008 -4.311 2.130 193 2HB LEU 526 2HB LEU 526 -9.001 -5.144 3.298 194 HG LEU 526 HG LEU 526 -9.843 -2.977 3.260 195 1HD1 LEU 526 1HD1 LEU 526 -7.957 -3.021 5.581 196 2HD1 LEU 526 2HD1 LEU 526 -9.582 -3.705 5.525 197 3HD1 LEU 526 3HD1 LEU 526 -9.352 -1.959 5.405 198 1HD2 LEU 526 1HD2 LEU 526 -8.126 -1.910 1.969 199 2HD2 LEU 526 2HD2 LEU 526 -7.035 -1.938 3.356 200 3HD2 LEU 526 3HD2 LEU 526 -8.494 -0.952 3.403 201 H ARG 527 H ARG 527 -7.757 -7.215 4.455 202 HA ARG 527 HA ARG 527 -5.611 -8.523 3.016 203 1HB ARG 527 1HB ARG 527 -7.834 -9.683 4.684 204 2HB ARG 527 2HB ARG 527 -6.632 -10.640 3.851 205 1HG ARG 527 1HG ARG 527 -4.913 -9.418 5.202 206 2HG ARG 527 2HG ARG 527 -6.257 -8.798 6.185 207 1HD ARG 527 1HD ARG 527 -5.499 -11.669 5.692 208 2HD ARG 527 2HD ARG 527 -5.291 -10.791 7.197 209 HE ARG 527 HE ARG 527 -8.006 -10.743 6.471 210 1HH1 ARG 527 1HH1 ARG 527 -5.587 -12.964 7.790 211 2HH1 ARG 527 2HH1 ARG 527 -6.747 -14.102 8.320 212 1HH2 ARG 527 1HH2 ARG 527 -9.572 -12.318 7.263 213 2HH2 ARG 527 2HH2 ARG 527 -9.016 -13.710 8.071 214 H THR 528 H THR 528 -6.384 -10.590 1.998 215 HA THR 528 HA THR 528 -8.018 -9.930 -0.212 216 HB THR 528 HB THR 528 -6.178 -11.230 -0.794 217 HG1 THR 528 HG1 THR 528 -7.060 -13.289 -1.454 218 1HG2 THR 528 1HG2 THR 528 -5.445 -11.986 1.390 219 2HG2 THR 528 2HG2 THR 528 -5.556 -13.377 0.307 220 3HG2 THR 528 3HG2 THR 528 -6.825 -13.075 1.494 221 H SER 529 H SER 529 -9.822 -11.270 -0.871 222 HA SER 529 HA SER 529 -11.630 -11.742 1.268 223 1HB SER 529 1HB SER 529 -12.278 -10.825 -1.015 224 2HB SER 529 2HB SER 529 -11.945 -12.420 -1.679 225 HG SER 529 HG SER 529 -14.190 -11.909 -1.128 226 H GLY 530 H GLY 530 -9.286 -13.545 -0.519 227 1HA GLY 530 1HA GLY 530 -10.221 -16.011 0.806 228 2HA GLY 530 2HA GLY 530 -9.333 -15.977 -0.716 229 H ALA 531 H ALA 531 -8.995 -14.823 2.631 230 HA ALA 531 HA ALA 531 -6.130 -14.787 2.396 231 1HB ALA 531 1HB ALA 531 -6.107 -14.072 4.733 232 2HB ALA 531 2HB ALA 531 -7.826 -14.426 4.876 233 3HB ALA 531 3HB ALA 531 -7.276 -13.130 3.821 234 H ARG 532 H ARG 532 -5.332 -16.737 1.989 235 HA ARG 532 HA ARG 532 -5.456 -18.698 4.152 236 1HB ARG 532 1HB ARG 532 -5.568 -19.298 1.187 237 2HB ARG 532 2HB ARG 532 -5.368 -20.494 2.454 238 1HG ARG 532 1HG ARG 532 -7.779 -18.755 1.986 239 2HG ARG 532 2HG ARG 532 -7.649 -20.485 1.666 240 1HD ARG 532 1HD ARG 532 -7.182 -20.820 4.079 241 2HD ARG 532 2HD ARG 532 -7.492 -19.113 4.338 242 HE ARG 532 HE ARG 532 -9.458 -21.090 3.462 243 1HH1 ARG 532 1HH1 ARG 532 -8.733 -17.893 4.860 244 2HH1 ARG 532 2HH1 ARG 532 -10.326 -17.637 5.378 245 1HH2 ARG 532 1HH2 ARG 532 -11.640 -20.680 4.200 246 2HH2 ARG 532 2HH2 ARG 532 -12.000 -19.216 4.986 247 H GLY 533 H GLY 533 -3.489 -19.222 4.832 248 1HA GLY 533 1HA GLY 533 -1.328 -19.989 4.558 249 2HA GLY 533 2HA GLY 533 -1.286 -19.318 2.936 250 H ASN 534 H ASN 534 0.875 -18.923 4.247 251 HA ASN 534 HA ASN 534 0.835 -16.339 5.591 252 1HB ASN 534 1HB ASN 534 2.167 -18.158 6.617 253 2HB ASN 534 2HB ASN 534 3.070 -18.339 5.123 254 1HD2 ASN 534 1HD2 ASN 534 2.226 -15.172 6.554 255 2HD2 ASN 534 2HD2 ASN 534 3.861 -14.783 6.933 256 H VAL 535 H VAL 535 1.238 -14.594 4.462 257 HA VAL 535 HA VAL 535 2.694 -14.847 1.940 258 HB VAL 535 HB VAL 535 0.241 -13.093 2.407 259 1HG1 VAL 535 1HG1 VAL 535 1.879 -13.569 -0.058 260 2HG1 VAL 535 2HG1 VAL 535 1.869 -12.067 0.881 261 3HG1 VAL 535 3HG1 VAL 535 0.415 -12.595 0.014 262 1HG2 VAL 535 1HG2 VAL 535 -0.824 -14.511 0.697 263 2HG2 VAL 535 2HG2 VAL 535 -0.386 -15.423 2.154 264 3HG2 VAL 535 3HG2 VAL 535 0.623 -15.523 0.706 265 H ILE 536 H ILE 536 4.273 -13.420 1.725 266 HA ILE 536 HA ILE 536 4.527 -11.355 3.791 267 HB ILE 536 HB ILE 536 6.653 -12.661 2.057 268 1HG1 ILE 536 1HG1 ILE 536 5.955 -14.056 3.925 269 2HG1 ILE 536 2HG1 ILE 536 7.579 -13.437 4.222 270 1HG2 ILE 536 1HG2 ILE 536 7.191 -10.287 2.341 271 2HG2 ILE 536 2HG2 ILE 536 8.307 -11.294 3.259 272 3HG2 ILE 536 3HG2 ILE 536 6.992 -10.461 4.084 273 1HD1 ILE 536 1HD1 ILE 536 6.609 -11.725 5.695 274 2HD1 ILE 536 2HD1 ILE 536 6.266 -13.370 6.244 275 3HD1 ILE 536 3HD1 ILE 536 5.017 -12.429 5.421 276 H VAL 537 H VAL 537 4.430 -9.325 3.251 277 HA VAL 537 HA VAL 537 4.355 -8.731 0.380 278 HB VAL 537 HB VAL 537 2.945 -7.108 2.496 279 1HG1 VAL 537 1HG1 VAL 537 1.638 -6.217 0.630 280 2HG1 VAL 537 2HG1 VAL 537 2.600 -7.182 -0.488 281 3HG1 VAL 537 3HG1 VAL 537 3.365 -5.904 0.454 282 1HG2 VAL 537 1HG2 VAL 537 1.815 -9.371 0.857 283 2HG2 VAL 537 2HG2 VAL 537 0.830 -8.210 1.744 284 3HG2 VAL 537 3HG2 VAL 537 1.942 -9.274 2.608 285 HA PRO 538 HA PRO 538 7.783 -6.094 1.778 286 1HB PRO 538 1HB PRO 538 8.698 -5.480 -0.707 287 2HB PRO 538 2HB PRO 538 9.095 -7.005 0.092 288 1HG PRO 538 1HG PRO 538 7.072 -6.449 -2.032 289 2HG PRO 538 2HG PRO 538 8.131 -7.856 -1.831 290 1HD PRO 538 1HD PRO 538 5.482 -7.814 -1.141 291 2HD PRO 538 2HD PRO 538 6.680 -8.884 -0.385 292 H TYR 539 H TYR 539 8.006 -3.825 1.795 293 HA TYR 539 HA TYR 539 6.342 -2.229 0.049 294 1HB TYR 539 1HB TYR 539 5.184 -1.054 1.848 295 2HB TYR 539 2HB TYR 539 4.861 -2.780 1.961 296 HD1 TYR 539 HD1 TYR 539 5.841 -4.104 3.757 297 HD2 TYR 539 HD2 TYR 539 6.380 0.095 3.599 298 HE1 TYR 539 HE1 TYR 539 6.538 -4.113 6.102 299 HE2 TYR 539 HE2 TYR 539 7.086 0.103 5.938 300 HH TYR 539 HH TYR 539 6.844 -1.288 7.961 301 H LYS 540 H LYS 540 6.895 0.041 0.202 302 HA LYS 540 HA LYS 540 9.104 0.782 1.796 303 1HB LYS 540 1HB LYS 540 10.556 1.394 -0.199 304 2HB LYS 540 2HB LYS 540 10.499 -0.303 0.262 305 1HG LYS 540 1HG LYS 540 10.436 -0.235 -2.080 306 2HG LYS 540 2HG LYS 540 8.780 -0.552 -1.572 307 1HD LYS 540 1HD LYS 540 8.709 1.006 -3.271 308 2HD LYS 540 2HD LYS 540 8.314 1.856 -1.796 309 1HE LYS 540 1HE LYS 540 9.829 3.213 -3.173 310 2HE LYS 540 2HE LYS 540 10.594 2.771 -1.658 311 1HZ LYS 540 1HZ LYS 540 11.776 0.985 -2.893 312 2HZ LYS 540 2HZ LYS 540 12.110 2.533 -3.450 313 3HZ LYS 540 3HZ LYS 540 11.071 1.555 -4.327 314 H THR 541 H THR 541 9.406 2.887 2.063 315 HA THR 541 HA THR 541 7.493 4.759 1.105 316 HB THR 541 HB THR 541 9.263 6.386 2.106 317 HG1 THR 541 HG1 THR 541 10.823 4.470 2.075 318 1HG2 THR 541 1HG2 THR 541 8.535 5.830 4.410 319 2HG2 THR 541 2HG2 THR 541 7.860 4.317 3.773 320 3HG2 THR 541 3HG2 THR 541 7.202 5.865 3.252 321 H ILE 542 H ILE 542 7.595 6.033 -0.642 322 HA ILE 542 HA ILE 542 10.076 6.176 -2.224 323 HB ILE 542 HB ILE 542 7.253 7.138 -2.889 324 1HG1 ILE 542 1HG1 ILE 542 7.400 5.436 -4.793 325 2HG1 ILE 542 2HG1 ILE 542 8.775 4.751 -3.946 326 1HG2 ILE 542 1HG2 ILE 542 8.860 8.579 -3.923 327 2HG2 ILE 542 2HG2 ILE 542 8.069 7.592 -5.156 328 3HG2 ILE 542 3HG2 ILE 542 9.704 7.197 -4.624 329 1HD1 ILE 542 1HD1 ILE 542 5.960 4.961 -2.918 330 2HD1 ILE 542 2HD1 ILE 542 7.320 4.278 -2.028 331 3HD1 ILE 542 3HD1 ILE 542 6.750 3.497 -3.504 332 H GLU 543 H GLU 543 11.265 7.949 -2.088 333 HA GLU 543 HA GLU 543 11.108 9.722 -0.021 334 1HB GLU 543 1HB GLU 543 12.385 10.431 -2.659 335 2HB GLU 543 2HB GLU 543 12.800 11.061 -1.079 336 1HG GLU 543 1HG GLU 543 14.522 9.555 -1.487 337 2HG GLU 543 2HG GLU 543 13.391 8.611 -0.521 338 H GLY 544 H GLY 544 9.940 10.321 -3.305 339 1HA GLY 544 1HA GLY 544 8.346 11.800 -4.062 340 2HA GLY 544 2HA GLY 544 7.972 12.182 -2.381 341 H THR 545 H THR 545 8.770 13.952 -1.509 342 HA THR 545 HA THR 545 10.946 15.341 -2.880 343 HB THR 545 HB THR 545 8.864 16.447 -3.593 344 HG1 THR 545 HG1 THR 545 10.798 17.713 -2.139 345 1HG2 THR 545 1HG2 THR 545 7.433 15.860 -1.706 346 2HG2 THR 545 2HG2 THR 545 7.417 17.606 -1.968 347 3HG2 THR 545 3HG2 THR 545 8.375 16.916 -0.653 348 H ALA 546 H ALA 546 10.251 13.733 -0.293 349 HA ALA 546 HA ALA 546 11.126 15.582 1.743 350 1HB ALA 546 1HB ALA 546 9.434 13.874 2.232 351 2HB ALA 546 2HB ALA 546 10.860 13.698 3.254 352 3HB ALA 546 3HB ALA 546 10.613 12.609 1.883 353 H ARG 547 H ARG 547 12.981 14.762 3.189 354 HA ARG 547 HA ARG 547 15.294 14.362 1.480 355 1HB ARG 547 1HB ARG 547 15.081 16.068 3.438 356 2HB ARG 547 2HB ARG 547 15.234 14.665 4.476 357 1HG ARG 547 1HG ARG 547 17.338 15.769 4.314 358 2HG ARG 547 2HG ARG 547 17.396 14.173 3.567 359 1HD ARG 547 1HD ARG 547 17.332 15.078 1.416 360 2HD ARG 547 2HD ARG 547 16.998 16.711 2.021 361 HE ARG 547 HE ARG 547 19.426 15.455 2.936 362 1HH1 ARG 547 1HH1 ARG 547 17.985 17.666 0.563 363 2HH1 ARG 547 2HH1 ARG 547 19.442 18.453 0.212 364 1HH2 ARG 547 1HH2 ARG 547 21.383 16.524 2.482 365 2HH2 ARG 547 2HH2 ARG 547 21.464 17.793 1.351 366 H GLY 548 H GLY 548 16.974 12.747 2.364 367 1HA GLY 548 1HA GLY 548 15.980 10.178 2.183 368 2HA GLY 548 2HA GLY 548 17.584 10.612 2.721 369 H GLY 549 H GLY 549 16.750 8.441 3.694 370 1HA GLY 549 1HA GLY 549 14.981 8.309 5.821 371 2HA GLY 549 2HA GLY 549 16.306 7.203 5.520 372 H GLY 550 H GLY 550 15.026 9.306 7.621 373 1HA GLY 550 1HA GLY 550 15.906 9.363 9.840 374 2HA GLY 550 2HA GLY 550 17.532 9.370 9.155 375 H GLU 551 H GLU 551 16.257 11.341 7.120 376 HA GLU 551 HA GLU 551 17.017 13.717 8.638 377 1HB GLU 551 1HB GLU 551 16.271 13.344 5.760 378 2HB GLU 551 2HB GLU 551 16.801 14.851 6.481 379 1HG GLU 551 1HG GLU 551 18.397 12.341 6.285 380 2HG GLU 551 2HG GLU 551 18.438 13.731 5.182 381 H ASP 552 H ASP 552 14.497 12.887 6.359 382 HA ASP 552 HA ASP 552 12.693 14.816 7.707 383 1HB ASP 552 1HB ASP 552 13.386 14.968 5.188 384 2HB ASP 552 2HB ASP 552 12.216 13.676 4.966 385 H PHE 553 H PHE 553 12.837 11.596 6.220 386 HA PHE 553 HA PHE 553 10.793 10.750 8.096 387 1HB PHE 553 1HB PHE 553 9.703 9.353 6.439 388 2HB PHE 553 2HB PHE 553 9.738 10.993 5.823 389 HD1 PHE 553 HD1 PHE 553 11.091 11.541 3.870 390 HD2 PHE 553 HD2 PHE 553 10.979 7.593 5.413 391 HE1 PHE 553 HE1 PHE 553 12.065 10.690 1.760 392 HE2 PHE 553 HE2 PHE 553 11.954 6.734 3.314 393 HZ PHE 553 HZ PHE 553 12.493 8.286 1.491 394 H GLU 554 H GLU 554 11.024 8.487 8.604 395 HA GLU 554 HA GLU 554 13.792 7.632 8.520 396 1HB GLU 554 1HB GLU 554 12.065 7.551 10.479 397 2HB GLU 554 2HB GLU 554 11.393 6.189 9.634 398 1HG GLU 554 1HG GLU 554 14.218 6.329 10.677 399 2HG GLU 554 2HG GLU 554 12.848 5.625 11.523 400 H ASP 555 H ASP 555 14.489 6.125 7.036 401 HA ASP 555 HA ASP 555 13.081 5.531 4.687 402 1HB ASP 555 1HB ASP 555 15.559 5.317 4.917 403 2HB ASP 555 2HB ASP 555 15.214 3.904 5.947 404 H THR 556 H THR 556 11.233 4.377 4.624 405 HA THR 556 HA THR 556 11.208 2.182 6.459 406 HB THR 556 HB THR 556 8.849 3.692 5.366 407 HG1 THR 556 HG1 THR 556 10.302 4.776 6.952 408 1HG2 THR 556 1HG2 THR 556 8.474 1.453 5.798 409 2HG2 THR 556 2HG2 THR 556 7.712 2.408 7.133 410 3HG2 THR 556 3HG2 THR 556 9.270 1.558 7.367 411 H CYS 557 H CYS 557 11.981 0.579 5.293 412 HA CYS 557 HA CYS 557 10.218 -0.388 3.222 413 1HB CYS 557 1HB CYS 557 12.206 -1.199 1.945 414 2HB CYS 557 2HB CYS 557 12.101 0.558 2.039 415 HG CYS 557 HG CYS 557 14.231 0.969 3.618 416 H GLY 558 H GLY 558 9.773 -2.558 3.486 417 1HA GLY 558 1HA GLY 558 11.366 -4.304 4.940 418 2HA GLY 558 2HA GLY 558 10.147 -3.607 6.008 419 H GLU 559 H GLU 559 9.203 -5.655 6.201 420 HA GLU 559 HA GLU 559 7.582 -6.400 3.884 421 1HB GLU 559 1HB GLU 559 9.183 -8.184 5.664 422 2HB GLU 559 2HB GLU 559 8.006 -8.751 4.476 423 1HG GLU 559 1HG GLU 559 9.340 -7.929 2.697 424 2HG GLU 559 2HG GLU 559 10.456 -7.128 3.816 425 H LEU 560 H LEU 560 5.599 -7.071 4.370 426 HA LEU 560 HA LEU 560 4.694 -6.964 7.149 427 1HB LEU 560 1HB LEU 560 3.186 -6.830 4.547 428 2HB LEU 560 2HB LEU 560 2.469 -6.751 6.142 429 HG LEU 560 HG LEU 560 4.408 -4.732 5.027 430 1HD1 LEU 560 1HD1 LEU 560 2.288 -4.692 3.823 431 2HD1 LEU 560 2HD1 LEU 560 2.547 -3.252 4.803 432 3HD1 LEU 560 3HD1 LEU 560 1.417 -4.489 5.351 433 1HD2 LEU 560 1HD2 LEU 560 4.515 -4.837 7.441 434 2HD2 LEU 560 2HD2 LEU 560 2.764 -4.734 7.557 435 3HD2 LEU 560 3HD2 LEU 560 3.689 -3.360 6.947 436 H GLU 561 H GLU 561 3.662 -8.680 8.035 437 HA GLU 561 HA GLU 561 3.902 -11.228 6.625 438 1HB GLU 561 1HB GLU 561 5.224 -10.987 8.642 439 2HB GLU 561 2HB GLU 561 3.807 -10.476 9.533 440 1HG GLU 561 1HG GLU 561 2.834 -12.732 9.155 441 2HG GLU 561 2HG GLU 561 4.371 -13.195 8.416 442 H PHE 562 H PHE 562 1.948 -11.835 5.772 443 HA PHE 562 HA PHE 562 -0.430 -11.454 7.447 444 1HB PHE 562 1HB PHE 562 -0.117 -11.861 4.497 445 2HB PHE 562 2HB PHE 562 -1.618 -12.287 5.296 446 HD1 PHE 562 HD1 PHE 562 0.128 -9.781 3.624 447 HD2 PHE 562 HD2 PHE 562 -2.656 -10.381 6.795 448 HE1 PHE 562 HE1 PHE 562 -0.676 -7.475 3.354 449 HE2 PHE 562 HE2 PHE 562 -3.459 -8.081 6.519 450 HZ PHE 562 HZ PHE 562 -2.475 -6.628 4.792 451 H GLN 563 H GLN 563 -1.689 -13.190 7.962 452 HA GLN 563 HA GLN 563 -0.811 -15.870 7.114 453 1HB GLN 563 1HB GLN 563 -1.871 -15.232 9.882 454 2HB GLN 563 2HB GLN 563 -1.173 -16.718 9.328 455 1HG GLN 563 1HG GLN 563 0.582 -14.378 9.166 456 2HG GLN 563 2HG GLN 563 0.171 -14.937 10.784 457 1HE2 GLN 563 1HE2 GLN 563 0.383 -17.198 8.148 458 2HE2 GLN 563 2HE2 GLN 563 1.850 -17.915 8.697 459 H ASN 564 H ASN 564 -2.791 -17.371 7.792 460 HA ASN 564 HA ASN 564 -5.080 -16.185 6.564 461 1HB ASN 564 1HB ASN 564 -6.134 -18.363 6.720 462 2HB ASN 564 2HB ASN 564 -4.475 -18.585 6.219 463 1HD2 ASN 564 1HD2 ASN 564 -6.376 -20.418 7.510 464 2HD2 ASN 564 2HD2 ASN 564 -5.581 -20.988 8.926 465 H ASP 565 H ASP 565 -4.064 -16.853 9.779 466 HA ASP 565 HA ASP 565 -6.671 -16.159 10.919 467 1HB ASP 565 1HB ASP 565 -5.357 -18.047 11.838 468 2HB ASP 565 2HB ASP 565 -4.094 -16.922 12.307 469 H GLU 566 H GLU 566 -3.665 -14.710 10.244 470 HA GLU 566 HA GLU 566 -3.803 -12.560 12.202 471 1HB GLU 566 1HB GLU 566 -1.778 -13.821 11.084 472 2HB GLU 566 2HB GLU 566 -1.991 -12.629 9.810 473 1HG GLU 566 1HG GLU 566 -1.255 -12.204 12.694 474 2HG GLU 566 2HG GLU 566 -0.234 -12.062 11.268 475 H ILE 567 H ILE 567 -5.050 -10.747 11.750 476 HA ILE 567 HA ILE 567 -5.879 -10.413 8.971 477 HB ILE 567 HB ILE 567 -7.848 -9.262 9.743 478 1HG1 ILE 567 1HG1 ILE 567 -7.323 -9.951 12.593 479 2HG1 ILE 567 2HG1 ILE 567 -6.522 -8.529 11.926 480 1HG2 ILE 567 1HG2 ILE 567 -8.998 -11.132 10.826 481 2HG2 ILE 567 2HG2 ILE 567 -7.421 -11.848 11.205 482 3HG2 ILE 567 3HG2 ILE 567 -7.922 -11.671 9.528 483 1HD1 ILE 567 1HD1 ILE 567 -9.472 -9.052 11.933 484 2HD1 ILE 567 2HD1 ILE 567 -8.625 -7.667 11.226 485 3HD1 ILE 567 3HD1 ILE 567 -8.588 -7.918 12.979 486 H VAL 568 H VAL 568 -6.398 -8.232 8.364 487 HA VAL 568 HA VAL 568 -5.578 -6.300 7.640 488 HB VAL 568 HB VAL 568 -6.974 -5.905 9.776 489 1HG1 VAL 568 1HG1 VAL 568 -5.419 -6.264 11.495 490 2HG1 VAL 568 2HG1 VAL 568 -5.915 -4.564 11.543 491 3HG1 VAL 568 3HG1 VAL 568 -4.352 -5.008 10.868 492 1HG2 VAL 568 1HG2 VAL 568 -6.751 -3.465 9.591 493 2HG2 VAL 568 2HG2 VAL 568 -6.807 -4.248 8.008 494 3HG2 VAL 568 3HG2 VAL 568 -5.278 -3.668 8.647 495 H LYS 569 H LYS 569 -3.853 -4.454 8.000 496 HA LYS 569 HA LYS 569 -1.460 -5.356 9.299 497 1HB LYS 569 1HB LYS 569 -1.690 -6.280 6.793 498 2HB LYS 569 2HB LYS 569 -1.184 -4.647 6.433 499 1HG LYS 569 1HG LYS 569 0.710 -5.965 6.369 500 2HG LYS 569 2HG LYS 569 0.815 -5.064 7.890 501 1HD LYS 569 1HD LYS 569 -0.179 -7.917 7.664 502 2HD LYS 569 2HD LYS 569 1.511 -7.522 7.924 503 1HE LYS 569 1HE LYS 569 0.810 -6.344 10.049 504 2HE LYS 569 2HE LYS 569 -0.818 -6.960 9.733 505 1HZ LYS 569 1HZ LYS 569 0.618 -8.282 11.253 506 2HZ LYS 569 2HZ LYS 569 1.405 -8.849 9.850 507 3HZ LYS 569 3HZ LYS 569 -0.257 -9.057 10.067 508 H THR 570 H THR 570 0.096 -3.689 9.383 509 HA THR 570 HA THR 570 -0.944 -1.095 8.646 510 HB THR 570 HB THR 570 0.171 -0.374 10.863 511 HG1 THR 570 HG1 THR 570 -0.637 -2.899 11.783 512 1HG2 THR 570 1HG2 THR 570 -2.480 -1.838 10.868 513 2HG2 THR 570 2HG2 THR 570 -2.232 -0.147 10.432 514 3HG2 THR 570 3HG2 THR 570 -1.955 -0.680 12.090 515 H ILE 571 H ILE 571 0.531 0.064 7.626 516 HA ILE 571 HA ILE 571 3.321 -0.742 7.836 517 HB ILE 571 HB ILE 571 2.072 1.467 6.130 518 1HG1 ILE 571 1HG1 ILE 571 3.036 0.112 4.220 519 2HG1 ILE 571 2HG1 ILE 571 3.328 -1.176 5.380 520 1HG2 ILE 571 1HG2 ILE 571 4.958 0.661 6.299 521 2HG2 ILE 571 2HG2 ILE 571 4.252 2.155 6.905 522 3HG2 ILE 571 3HG2 ILE 571 4.273 1.830 5.169 523 1HD1 ILE 571 1HD1 ILE 571 0.968 -1.330 5.803 524 2HD1 ILE 571 2HD1 ILE 571 1.316 -1.513 4.082 525 3HD1 ILE 571 3HD1 ILE 571 0.665 0.007 4.700 526 H SER 572 H SER 572 4.378 -0.021 9.549 527 HA SER 572 HA SER 572 3.586 2.455 10.758 528 1HB SER 572 1HB SER 572 5.417 1.530 12.397 529 2HB SER 572 2HB SER 572 3.818 0.779 12.351 530 HG SER 572 HG SER 572 4.925 -0.962 11.992 531 H VAL 573 H VAL 573 4.604 4.251 10.258 532 HA VAL 573 HA VAL 573 7.368 4.118 9.214 533 HB VAL 573 HB VAL 573 5.273 6.172 8.441 534 1HG1 VAL 573 1HG1 VAL 573 6.885 6.888 6.725 535 2HG1 VAL 573 2HG1 VAL 573 8.049 5.721 7.358 536 3HG1 VAL 573 3HG1 VAL 573 7.524 7.065 8.362 537 1HG2 VAL 573 1HG2 VAL 573 5.275 5.143 6.205 538 2HG2 VAL 573 2HG2 VAL 573 4.674 4.058 7.453 539 3HG2 VAL 573 3HG2 VAL 573 6.307 3.849 6.815 540 H LYS 574 H LYS 574 8.790 5.425 10.245 541 HA LYS 574 HA LYS 574 7.737 7.119 12.343 542 1HB LYS 574 1HB LYS 574 9.556 5.648 12.974 543 2HB LYS 574 2HB LYS 574 10.562 6.274 11.677 544 1HG LYS 574 1HG LYS 574 10.514 8.498 12.748 545 2HG LYS 574 2HG LYS 574 9.606 7.822 14.089 546 1HD LYS 574 1HD LYS 574 12.326 6.907 13.200 547 2HD LYS 574 2HD LYS 574 12.038 8.035 14.530 548 1HE LYS 574 1HE LYS 574 10.725 6.247 15.663 549 2HE LYS 574 2HE LYS 574 11.159 5.148 14.355 550 1HZ LYS 574 1HZ LYS 574 12.612 4.892 16.266 551 2HZ LYS 574 2HZ LYS 574 13.078 6.492 16.185 552 3HZ LYS 574 3HZ LYS 574 13.487 5.424 14.934 553 H VAL 575 H VAL 575 7.501 9.162 12.073 554 HA VAL 575 HA VAL 575 8.616 10.506 9.744 555 HB VAL 575 HB VAL 575 6.742 11.533 11.919 556 1HG1 VAL 575 1HG1 VAL 575 7.948 13.351 10.777 557 2HG1 VAL 575 2HG1 VAL 575 6.235 13.372 10.362 558 3HG1 VAL 575 3HG1 VAL 575 7.413 12.727 9.219 559 1HG2 VAL 575 1HG2 VAL 575 5.708 9.730 10.654 560 2HG2 VAL 575 2HG2 VAL 575 6.103 10.543 9.139 561 3HG2 VAL 575 3HG2 VAL 575 4.948 11.271 10.255 562 H ILE 576 H ILE 576 10.168 12.210 9.982 563 HA ILE 576 HA ILE 576 11.471 12.201 12.613 564 HB ILE 576 HB ILE 576 12.671 13.029 9.936 565 1HG1 ILE 576 1HG1 ILE 576 12.110 10.652 9.844 566 2HG1 ILE 576 2HG1 ILE 576 13.850 10.872 9.896 567 1HG2 ILE 576 1HG2 ILE 576 14.821 12.795 11.084 568 2HG2 ILE 576 2HG2 ILE 576 13.982 12.351 12.568 569 3HG2 ILE 576 3HG2 ILE 576 13.786 13.970 11.897 570 1HD1 ILE 576 1HD1 ILE 576 13.211 9.029 11.248 571 2HD1 ILE 576 2HD1 ILE 576 12.049 10.024 12.137 572 3HD1 ILE 576 3HD1 ILE 576 13.785 10.335 12.302 573 H ASP 577 H ASP 577 12.308 14.304 13.287 574 HA ASP 577 HA ASP 577 10.396 16.389 12.897 575 1HB ASP 577 1HB ASP 577 13.148 16.506 14.169 576 2HB ASP 577 2HB ASP 577 11.981 17.824 14.204 577 H ASP 578 H ASP 578 10.526 18.200 11.651 578 HA ASP 578 HA ASP 578 11.942 17.749 9.227 579 1HB ASP 578 1HB ASP 578 9.690 19.192 9.919 580 2HB ASP 578 2HB ASP 578 10.847 20.413 9.402 581 H GLU 579 H GLU 579 13.231 19.366 8.110 582 HA GLU 579 HA GLU 579 15.001 20.808 9.911 583 1HB GLU 579 1HB GLU 579 16.900 19.645 8.384 584 2HB GLU 579 2HB GLU 579 16.382 19.061 9.952 585 1HG GLU 579 1HG GLU 579 16.587 17.242 8.308 586 2HG GLU 579 2HG GLU 579 14.946 17.405 8.905 587 H GLU 580 H GLU 580 13.470 20.939 6.813 588 HA GLU 580 HA GLU 580 15.319 23.088 6.089 589 1HB GLU 580 1HB GLU 580 15.291 22.477 3.779 590 2HB GLU 580 2HB GLU 580 15.640 21.007 4.661 591 1HG GLU 580 1HG GLU 580 12.948 21.749 3.487 592 2HG GLU 580 2HG GLU 580 14.106 20.659 2.747 593 H TYR 581 H TYR 581 14.040 24.174 3.975 594 HA TYR 581 HA TYR 581 11.795 25.510 5.033 595 1HB TYR 581 1HB TYR 581 11.527 26.502 2.827 596 2HB TYR 581 2HB TYR 581 13.246 26.422 3.175 597 HD1 TYR 581 HD1 TYR 581 10.515 25.049 1.133 598 HD2 TYR 581 HD2 TYR 581 14.708 25.003 1.840 599 HE1 TYR 581 HE1 TYR 581 10.823 23.871 -0.967 600 HE2 TYR 581 HE2 TYR 581 15.050 23.809 -0.284 601 HH TYR 581 HH TYR 581 13.854 22.430 -1.778 602 H GLU 582 H GLU 582 9.547 25.305 4.274 603 HA GLU 582 HA GLU 582 9.114 22.553 3.480 604 1HB GLU 582 1HB GLU 582 7.646 24.065 5.584 605 2HB GLU 582 2HB GLU 582 7.140 22.508 4.934 606 1HG GLU 582 1HG GLU 582 9.275 21.536 5.619 607 2HG GLU 582 2HG GLU 582 9.738 23.084 6.321 608 H LYS 583 H LYS 583 7.802 22.076 2.073 609 HA LYS 583 HA LYS 583 5.888 23.994 1.019 610 1HB LYS 583 1HB LYS 583 7.679 22.093 -0.533 611 2HB LYS 583 2HB LYS 583 6.387 23.029 -1.251 612 1HG LYS 583 1HG LYS 583 8.900 24.102 0.014 613 2HG LYS 583 2HG LYS 583 8.525 24.060 -1.711 614 1HD LYS 583 1HD LYS 583 6.663 25.611 -1.342 615 2HD LYS 583 2HD LYS 583 7.005 25.620 0.389 616 1HE LYS 583 1HE LYS 583 9.265 26.505 -0.123 617 2HE LYS 583 2HE LYS 583 8.788 26.624 -1.815 618 1HZ LYS 583 1HZ LYS 583 7.495 28.031 0.451 619 2HZ LYS 583 2HZ LYS 583 7.029 28.156 -1.161 620 3HZ LYS 583 3HZ LYS 583 8.544 28.731 -0.676 621 H ASN 584 H ASN 584 4.626 22.171 -0.700 622 HA ASN 584 HA ASN 584 3.368 20.276 1.021 623 1HB ASN 584 1HB ASN 584 2.331 21.134 -1.134 624 2HB ASN 584 2HB ASN 584 3.510 20.181 -2.025 625 1HD2 ASN 584 1HD2 ASN 584 0.628 20.010 -2.162 626 2HD2 ASN 584 2HD2 ASN 584 0.206 18.408 -1.690 627 H LYS 585 H LYS 585 4.565 18.674 1.949 628 HA LYS 585 HA LYS 585 6.518 17.406 0.264 629 1HB LYS 585 1HB LYS 585 7.709 18.702 1.854 630 2HB LYS 585 2HB LYS 585 6.678 18.215 3.191 631 1HG LYS 585 1HG LYS 585 8.515 16.316 1.738 632 2HG LYS 585 2HG LYS 585 9.087 17.347 3.043 633 1HD LYS 585 1HD LYS 585 6.861 15.338 3.229 634 2HD LYS 585 2HD LYS 585 8.504 15.064 3.810 635 1HE LYS 585 1HE LYS 585 6.527 17.118 4.857 636 2HE LYS 585 2HE LYS 585 7.053 15.654 5.674 637 1HZ LYS 585 1HZ LYS 585 9.278 16.508 5.775 638 2HZ LYS 585 2HZ LYS 585 8.266 17.637 6.540 639 3HZ LYS 585 3HZ LYS 585 8.850 17.942 5.018 640 H THR 586 H THR 586 6.039 15.470 -0.180 641 HA THR 586 HA THR 586 4.595 13.836 1.688 642 HB THR 586 HB THR 586 2.772 14.809 0.478 643 HG1 THR 586 HG1 THR 586 2.637 12.606 0.712 644 1HG2 THR 586 1HG2 THR 586 4.183 14.134 -2.103 645 2HG2 THR 586 2HG2 THR 586 3.947 15.753 -1.420 646 3HG2 THR 586 3HG2 THR 586 2.549 14.799 -1.932 647 H PHE 587 H PHE 587 4.812 11.795 1.429 648 HA PHE 587 HA PHE 587 6.582 10.856 -0.613 649 1HB PHE 587 1HB PHE 587 7.498 9.236 1.203 650 2HB PHE 587 2HB PHE 587 8.143 10.858 1.109 651 HD1 PHE 587 HD1 PHE 587 5.603 8.830 2.992 652 HD2 PHE 587 HD2 PHE 587 8.283 12.124 2.986 653 HE1 PHE 587 HE1 PHE 587 5.284 9.110 5.434 654 HE2 PHE 587 HE2 PHE 587 7.969 12.399 5.407 655 HZ PHE 587 HZ PHE 587 6.464 10.879 6.628 656 H PHE 588 H PHE 588 6.275 8.673 -1.104 657 HA PHE 588 HA PHE 588 3.418 8.009 -0.742 658 1HB PHE 588 1HB PHE 588 5.220 6.998 -2.945 659 2HB PHE 588 2HB PHE 588 3.466 7.019 -2.889 660 HD1 PHE 588 HD1 PHE 588 6.369 8.693 -3.999 661 HD2 PHE 588 HD2 PHE 588 2.325 9.345 -2.876 662 HE1 PHE 588 HE1 PHE 588 6.395 10.850 -5.190 663 HE2 PHE 588 HE2 PHE 588 2.341 11.503 -4.076 664 HZ PHE 588 HZ PHE 588 4.377 12.254 -5.225 665 H LEU 589 H LEU 589 2.885 6.031 -0.015 666 HA LEU 589 HA LEU 589 5.106 4.177 0.555 667 1HB LEU 589 1HB LEU 589 3.444 5.077 2.420 668 2HB LEU 589 2HB LEU 589 2.345 3.912 1.719 669 HG LEU 589 HG LEU 589 3.324 3.005 3.694 670 1HD1 LEU 589 1HD1 LEU 589 2.875 1.347 2.074 671 2HD1 LEU 589 2HD1 LEU 589 4.407 0.941 2.858 672 3HD1 LEU 589 3HD1 LEU 589 4.400 1.649 1.247 673 1HD2 LEU 589 1HD2 LEU 589 5.724 2.607 3.911 674 2HD2 LEU 589 2HD2 LEU 589 5.292 4.317 3.801 675 3HD2 LEU 589 3HD2 LEU 589 5.980 3.491 2.401 676 H GLU 590 H GLU 590 5.133 2.421 -0.689 677 HA GLU 590 HA GLU 590 2.619 1.585 -1.951 678 1HB GLU 590 1HB GLU 590 3.973 2.915 -3.551 679 2HB GLU 590 2HB GLU 590 5.300 1.789 -3.319 680 1HG GLU 590 1HG GLU 590 3.782 -0.020 -4.138 681 2HG GLU 590 2HG GLU 590 2.627 1.240 -4.560 682 H ILE 591 H ILE 591 2.245 -0.415 -1.453 683 HA ILE 591 HA ILE 591 4.319 -2.159 -0.511 684 HB ILE 591 HB ILE 591 2.502 -3.889 -0.413 685 1HG1 ILE 591 1HG1 ILE 591 0.734 -1.617 -1.355 686 2HG1 ILE 591 2HG1 ILE 591 1.099 -3.091 -2.243 687 1HG2 ILE 591 1HG2 ILE 591 1.218 -2.847 1.421 688 2HG2 ILE 591 2HG2 ILE 591 1.916 -1.287 0.992 689 3HG2 ILE 591 3HG2 ILE 591 2.952 -2.591 1.562 690 1HD1 ILE 591 1HD1 ILE 591 -0.421 -2.901 0.337 691 2HD1 ILE 591 2HD1 ILE 591 -0.081 -4.395 -0.545 692 3HD1 ILE 591 3HD1 ILE 591 -1.121 -3.157 -1.260 693 H GLY 592 H GLY 592 4.926 -4.082 -1.569 694 1HA GLY 592 1HA GLY 592 5.038 -3.676 -4.445 695 2HA GLY 592 2HA GLY 592 6.056 -4.722 -3.465 696 H GLU 593 H GLU 593 5.819 -6.522 -4.617 697 HA GLU 593 HA GLU 593 3.162 -7.535 -5.172 698 1HB GLU 593 1HB GLU 593 4.944 -7.603 -6.903 699 2HB GLU 593 2HB GLU 593 5.883 -8.651 -5.858 700 1HG GLU 593 1HG GLU 593 4.165 -10.364 -6.023 701 2HG GLU 593 2HG GLU 593 3.199 -9.295 -7.046 702 HA PRO 594 HA PRO 594 3.571 -9.820 -1.324 703 1HB PRO 594 1HB PRO 594 1.182 -11.175 -1.584 704 2HB PRO 594 2HB PRO 594 1.307 -9.532 -0.954 705 1HG PRO 594 1HG PRO 594 0.561 -10.464 -3.661 706 2HG PRO 594 2HG PRO 594 -0.138 -9.142 -2.732 707 1HD PRO 594 1HD PRO 594 1.618 -8.788 -4.751 708 2HD PRO 594 2HD PRO 594 1.550 -7.678 -3.370 709 H ARG 595 H ARG 595 4.232 -11.915 -0.862 710 HA ARG 595 HA ARG 595 4.373 -13.700 -3.185 711 1HB ARG 595 1HB ARG 595 6.650 -14.370 -2.478 712 2HB ARG 595 2HB ARG 595 6.552 -12.681 -2.932 713 1HG ARG 595 1HG ARG 595 6.390 -12.134 -0.482 714 2HG ARG 595 2HG ARG 595 6.747 -13.830 -0.157 715 1HD ARG 595 1HD ARG 595 8.499 -11.911 -1.693 716 2HD ARG 595 2HD ARG 595 8.757 -12.438 -0.034 717 HE ARG 595 HE ARG 595 8.760 -14.763 -1.259 718 1HH1 ARG 595 1HH1 ARG 595 10.298 -11.735 -2.318 719 2HH1 ARG 595 2HH1 ARG 595 11.652 -12.497 -2.993 720 1HH2 ARG 595 1HH2 ARG 595 10.687 -15.819 -2.216 721 2HH2 ARG 595 2HH2 ARG 595 11.884 -14.852 -2.932 722 H LEU 596 H LEU 596 3.962 -15.803 -2.853 723 HA LEU 596 HA LEU 596 2.663 -16.449 -0.372 724 1HB LEU 596 1HB LEU 596 2.313 -17.212 -2.965 725 2HB LEU 596 2HB LEU 596 3.201 -18.587 -2.340 726 HG LEU 596 HG LEU 596 0.961 -19.206 -2.144 727 1HD1 LEU 596 1HD1 LEU 596 2.174 -19.604 -0.069 728 2HD1 LEU 596 2HD1 LEU 596 0.450 -19.315 0.211 729 3HD1 LEU 596 3HD1 LEU 596 1.623 -18.036 0.529 730 1HD2 LEU 596 1HD2 LEU 596 0.386 -16.467 -1.053 731 2HD2 LEU 596 2HD2 LEU 596 -0.791 -17.769 -1.213 732 3HD2 LEU 596 3HD2 LEU 596 -0.038 -17.072 -2.652 733 H VAL 597 H VAL 597 3.660 -17.431 1.292 734 HA VAL 597 HA VAL 597 6.453 -17.955 1.076 735 HB VAL 597 HB VAL 597 4.586 -18.336 3.426 736 1HG1 VAL 597 1HG1 VAL 597 7.598 -18.304 3.340 737 2HG1 VAL 597 2HG1 VAL 597 6.586 -19.714 3.666 738 3HG1 VAL 597 3HG1 VAL 597 6.604 -18.354 4.796 739 1HG2 VAL 597 1HG2 VAL 597 4.726 -16.041 2.678 740 2HG2 VAL 597 2HG2 VAL 597 6.491 -16.106 2.740 741 3HG2 VAL 597 3HG2 VAL 597 5.545 -16.246 4.225 742 H GLU 598 H GLU 598 3.611 -20.018 1.379 743 HA GLU 598 HA GLU 598 5.268 -22.289 1.725 744 1HB GLU 598 1HB GLU 598 3.195 -23.657 1.591 745 2HB GLU 598 2HB GLU 598 3.164 -22.409 2.816 746 1HG GLU 598 1HG GLU 598 1.807 -21.026 1.408 747 2HG GLU 598 2HG GLU 598 1.831 -22.254 0.137 748 H MET 599 H MET 599 5.099 -24.222 0.371 749 HA MET 599 HA MET 599 5.995 -23.435 -2.300 750 1HB MET 599 1HB MET 599 7.039 -25.623 -2.369 751 2HB MET 599 2HB MET 599 7.418 -24.846 -0.841 752 1HG MET 599 1HG MET 599 5.702 -26.172 0.271 753 2HG MET 599 2HG MET 599 5.293 -26.934 -1.259 754 1HE MET 599 1HE MET 599 5.862 -28.513 1.370 755 2HE MET 599 2HE MET 599 6.825 -29.848 0.721 756 3HE MET 599 3HE MET 599 5.447 -29.212 -0.188 757 H SER 600 H SER 600 3.094 -23.720 -1.540 758 HA SER 600 HA SER 600 2.134 -26.059 -2.849 759 1HB SER 600 1HB SER 600 0.885 -24.968 -1.022 760 2HB SER 600 2HB SER 600 0.625 -23.572 -2.094 761 HG SER 600 HG SER 600 -0.320 -26.220 -2.456 762 H GLU 601 H GLU 601 2.718 -26.185 -4.895 763 HA GLU 601 HA GLU 601 2.228 -23.953 -6.679 764 1HB GLU 601 1HB GLU 601 3.332 -25.333 -8.381 765 2HB GLU 601 2HB GLU 601 4.331 -25.189 -6.944 766 1HG GLU 601 1HG GLU 601 3.515 -27.424 -6.231 767 2HG GLU 601 2HG GLU 601 2.668 -27.551 -7.763 768 H LYS 602 H LYS 602 0.538 -23.849 -7.938 769 HA LYS 602 HA LYS 602 -1.375 -26.030 -7.843 770 1HB LYS 602 1HB LYS 602 -1.655 -23.163 -8.807 771 2HB LYS 602 2HB LYS 602 -2.926 -24.362 -8.958 772 1HG LYS 602 1HG LYS 602 -3.414 -22.974 -7.062 773 2HG LYS 602 2HG LYS 602 -2.962 -24.567 -6.476 774 1HD LYS 602 1HD LYS 602 -0.695 -23.720 -5.973 775 2HD LYS 602 2HD LYS 602 -1.172 -22.128 -6.553 776 1HE LYS 602 1HE LYS 602 -1.249 -22.201 -4.134 777 2HE LYS 602 2HE LYS 602 -2.871 -22.013 -4.788 778 1HZ LYS 602 1HZ LYS 602 -2.932 -23.590 -3.033 779 2HZ LYS 602 2HZ LYS 602 -1.667 -24.491 -3.648 780 3HZ LYS 602 3HZ LYS 602 -3.155 -24.468 -4.446 781 H LYS 603 H LYS 603 -2.078 -27.090 -9.710 782 HA LYS 603 HA LYS 603 -0.470 -26.534 -12.075 783 1HB LYS 603 1HB LYS 603 0.207 -28.856 -12.351 784 2HB LYS 603 2HB LYS 603 0.778 -28.231 -10.821 785 1HG LYS 603 1HG LYS 603 -1.659 -29.985 -11.101 786 2HG LYS 603 2HG LYS 603 -0.034 -30.591 -10.797 787 1HD LYS 603 1HD LYS 603 0.046 -29.327 -8.708 788 2HD LYS 603 2HD LYS 603 -1.564 -28.690 -9.019 789 1HE LYS 603 1HE LYS 603 -1.685 -30.518 -7.453 790 2HE LYS 603 2HE LYS 603 -2.459 -30.984 -8.966 791 1HZ LYS 603 1HZ LYS 603 0.290 -31.720 -8.138 792 2HZ LYS 603 2HZ LYS 603 -0.457 -32.251 -9.544 793 3HZ LYS 603 3HZ LYS 603 -1.044 -32.726 -8.022 794 H GLY 604 H GLY 604 -1.078 -28.155 -13.833 795 1HA GLY 604 1HA GLY 604 -4.001 -28.460 -13.905 796 2HA GLY 604 2HA GLY 604 -3.010 -28.092 -15.322 797 H GLY 605 H GLY 605 -4.090 -30.091 -16.107 798 1HA GLY 605 1HA GLY 605 -2.843 -32.509 -15.002 799 2HA GLY 605 2HA GLY 605 -4.254 -32.480 -16.058 800 H PHE 606 H PHE 606 -3.743 -31.337 -18.212 801 HA PHE 606 HA PHE 606 -1.459 -32.763 -19.313 802 1HB PHE 606 1HB PHE 606 -2.425 -32.327 -21.508 803 2HB PHE 606 2HB PHE 606 -3.630 -33.059 -20.455 804 HD1 PHE 606 HD1 PHE 606 -5.407 -31.486 -19.441 805 HD2 PHE 606 HD2 PHE 606 -2.814 -30.331 -22.613 806 HE1 PHE 606 HE1 PHE 606 -6.947 -29.668 -20.036 807 HE2 PHE 606 HE2 PHE 606 -4.347 -28.504 -23.205 808 HZ PHE 606 HZ PHE 606 -6.415 -28.171 -21.921 809 H THR 607 H THR 607 -2.004 -29.812 -18.054 810 HA THR 607 HA THR 607 -0.311 -28.400 -19.951 811 HB THR 607 HB THR 607 -1.033 -26.505 -18.464 812 HG1 THR 607 HG1 THR 607 -2.687 -26.890 -17.102 813 1HG2 THR 607 1HG2 THR 607 -1.815 -26.755 -20.769 814 2HG2 THR 607 2HG2 THR 607 -3.157 -26.216 -19.756 815 3HG2 THR 607 3HG2 THR 607 -3.046 -27.905 -20.249 816 H ILE 608 H ILE 608 1.055 -26.733 -18.902 817 HA ILE 608 HA ILE 608 2.191 -27.521 -16.364 818 HB ILE 608 HB ILE 608 4.355 -26.899 -17.321 819 1HG1 ILE 608 1HG1 ILE 608 3.037 -27.584 -19.940 820 2HG1 ILE 608 2HG1 ILE 608 3.653 -26.006 -19.460 821 1HG2 ILE 608 1HG2 ILE 608 3.946 -29.108 -16.582 822 2HG2 ILE 608 2HG2 ILE 608 4.847 -29.219 -18.098 823 3HG2 ILE 608 3HG2 ILE 608 3.103 -29.525 -18.076 824 1HD1 ILE 608 1HD1 ILE 608 5.189 -27.120 -20.965 825 2HD1 ILE 608 2HD1 ILE 608 5.245 -28.494 -19.837 826 3HD1 ILE 608 3HD1 ILE 608 5.880 -26.926 -19.340 827 H THR 609 H THR 609 3.488 -25.742 -15.478 828 HA THR 609 HA THR 609 2.351 -23.197 -16.308 829 HB THR 609 HB THR 609 4.202 -23.601 -13.958 830 HG1 THR 609 HG1 THR 609 1.864 -24.828 -14.299 831 1HG2 THR 609 1HG2 THR 609 1.854 -21.756 -14.386 832 2HG2 THR 609 2HG2 THR 609 3.513 -21.360 -14.770 833 3HG2 THR 609 3HG2 THR 609 3.057 -21.668 -13.086 834 H GLU 610 H GLU 610 3.550 -22.043 -17.759 835 HA GLU 610 HA GLU 610 6.330 -22.708 -18.196 836 1HB GLU 610 1HB GLU 610 6.234 -21.061 -20.025 837 2HB GLU 610 2HB GLU 610 4.937 -22.241 -20.122 838 1HG GLU 610 1HG GLU 610 3.389 -20.594 -19.166 839 2HG GLU 610 2HG GLU 610 4.701 -19.417 -19.109 840 H GLU 611 H GLU 611 5.260 -21.270 -15.777 841 HA GLU 611 HA GLU 611 6.795 -18.799 -15.738 842 1HB GLU 611 1HB GLU 611 4.532 -19.832 -14.365 843 2HB GLU 611 2HB GLU 611 5.802 -19.567 -13.180 844 1HG GLU 611 1HG GLU 611 4.694 -17.568 -15.107 845 2HG GLU 611 2HG GLU 611 4.342 -17.684 -13.381 846 H TYR 612 H TYR 612 8.108 -18.596 -13.573 847 HA TYR 612 HA TYR 612 9.566 -21.119 -13.152 848 1HB TYR 612 1HB TYR 612 10.926 -18.423 -12.981 849 2HB TYR 612 2HB TYR 612 11.668 -19.998 -13.200 850 HD1 TYR 612 HD1 TYR 612 11.418 -21.125 -15.501 851 HD2 TYR 612 HD2 TYR 612 10.395 -17.060 -14.794 852 HE1 TYR 612 HE1 TYR 612 11.517 -20.675 -17.925 853 HE2 TYR 612 HE2 TYR 612 10.492 -16.608 -17.200 854 HH TYR 612 HH TYR 612 11.476 -17.477 -19.150 855 H ASP 613 H ASP 613 7.520 -19.438 -12.030 856 HA ASP 613 HA ASP 613 6.649 -18.429 -10.108 857 1HB ASP 613 1HB ASP 613 7.092 -20.868 -9.334 858 2HB ASP 613 2HB ASP 613 8.525 -20.234 -8.535 859 H ASP 614 H ASP 614 8.732 -17.202 -11.360 860 HA ASP 614 HA ASP 614 10.767 -16.436 -9.503 861 1HB ASP 614 1HB ASP 614 11.330 -16.645 -11.863 862 2HB ASP 614 2HB ASP 614 10.160 -15.388 -12.261 863 H LYS 615 H LYS 615 10.932 -14.645 -8.386 864 HA LYS 615 HA LYS 615 8.534 -13.140 -8.037 865 1HB LYS 615 1HB LYS 615 11.233 -12.836 -6.700 866 2HB LYS 615 2HB LYS 615 9.741 -12.076 -6.166 867 1HG LYS 615 1HG LYS 615 10.333 -15.036 -6.212 868 2HG LYS 615 2HG LYS 615 10.189 -14.009 -4.786 869 1HD LYS 615 1HD LYS 615 7.824 -13.616 -5.288 870 2HD LYS 615 2HD LYS 615 7.959 -14.576 -6.759 871 1HE LYS 615 1HE LYS 615 8.375 -15.594 -3.956 872 2HE LYS 615 2HE LYS 615 6.919 -15.820 -4.915 873 1HZ LYS 615 1HZ LYS 615 8.222 -17.167 -6.508 874 2HZ LYS 615 2HZ LYS 615 8.345 -17.778 -4.967 875 3HZ LYS 615 3HZ LYS 615 9.619 -16.895 -5.596 876 H GLN 616 H GLN 616 8.052 -11.830 -9.440 877 HA GLN 616 HA GLN 616 9.949 -10.414 -11.161 878 1HB GLN 616 1HB GLN 616 7.860 -10.082 -12.493 879 2HB GLN 616 2HB GLN 616 8.231 -11.786 -12.202 880 1HG GLN 616 1HG GLN 616 6.594 -11.995 -10.567 881 2HG GLN 616 2HG GLN 616 6.460 -10.262 -10.354 882 1HE2 GLN 616 1HE2 GLN 616 4.407 -10.289 -10.503 883 2HE2 GLN 616 2HE2 GLN 616 3.415 -10.643 -11.853 884 HA PRO 617 HA PRO 617 7.898 -6.587 -9.635 885 1HB PRO 617 1HB PRO 617 8.027 -5.043 -11.837 886 2HB PRO 617 2HB PRO 617 9.411 -5.237 -10.751 887 1HG PRO 617 1HG PRO 617 8.954 -6.336 -13.460 888 2HG PRO 617 2HG PRO 617 10.480 -6.060 -12.611 889 1HD PRO 617 1HD PRO 617 9.151 -8.526 -12.962 890 2HD PRO 617 2HD PRO 617 10.543 -8.215 -11.911 891 H LEU 618 H LEU 618 5.872 -5.425 -10.164 892 HA LEU 618 HA LEU 618 3.952 -7.170 -11.255 893 1HB LEU 618 1HB LEU 618 3.774 -4.266 -10.515 894 2HB LEU 618 2HB LEU 618 2.403 -5.099 -11.217 895 HG LEU 618 HG LEU 618 2.027 -4.973 -8.899 896 1HD1 LEU 618 1HD1 LEU 618 1.918 -7.272 -8.155 897 2HD1 LEU 618 2HD1 LEU 618 2.997 -7.750 -9.462 898 3HD1 LEU 618 3HD1 LEU 618 1.404 -7.088 -9.833 899 1HD2 LEU 618 1HD2 LEU 618 3.596 -5.800 -7.189 900 2HD2 LEU 618 2HD2 LEU 618 4.248 -4.446 -8.109 901 3HD2 LEU 618 3HD2 LEU 618 4.791 -6.089 -8.457 902 H THR 619 H THR 619 3.827 -7.703 -13.292 903 HA THR 619 HA THR 619 3.841 -5.590 -15.285 904 HB THR 619 HB THR 619 6.079 -6.543 -15.333 905 HG1 THR 619 HG1 THR 619 5.833 -6.235 -17.339 906 1HG2 THR 619 1HG2 THR 619 5.669 -8.708 -14.299 907 2HG2 THR 619 2HG2 THR 619 6.480 -8.935 -15.852 908 3HG2 THR 619 3HG2 THR 619 4.744 -9.228 -15.706 909 H SER 620 H SER 620 2.393 -5.893 -16.944 910 HA SER 620 HA SER 620 0.811 -8.374 -17.035 911 1HB SER 620 1HB SER 620 -1.228 -6.898 -17.227 912 2HB SER 620 2HB SER 620 -0.509 -6.990 -15.622 913 HG SER 620 HG SER 620 -0.853 -4.846 -17.262 914 H LYS 621 H LYS 621 0.695 -9.174 -18.883 915 HA LYS 621 HA LYS 621 1.388 -7.652 -21.269 916 1HB LYS 621 1HB LYS 621 0.493 -10.530 -21.065 917 2HB LYS 621 2HB LYS 621 1.378 -9.778 -22.378 918 1HG LYS 621 1HG LYS 621 3.339 -9.566 -20.946 919 2HG LYS 621 2HG LYS 621 2.442 -10.301 -19.607 920 1HD LYS 621 1HD LYS 621 2.054 -12.283 -21.115 921 2HD LYS 621 2HD LYS 621 3.191 -11.546 -22.236 922 1HE LYS 621 1HE LYS 621 3.822 -12.359 -19.391 923 2HE LYS 621 2HE LYS 621 4.218 -13.292 -20.819 924 1HZ LYS 621 1HZ LYS 621 5.664 -11.511 -21.554 925 2HZ LYS 621 2HZ LYS 621 6.091 -12.075 -20.039 926 3HZ LYS 621 3HZ LYS 621 5.300 -10.595 -20.173 927 H GLU 622 H GLU 622 -1.317 -7.958 -19.494 928 HA GLU 622 HA GLU 622 -3.526 -7.734 -19.693 929 1HB GLU 622 1HB GLU 622 -3.129 -6.056 -21.462 930 2HB GLU 622 2HB GLU 622 -3.073 -7.336 -22.666 931 1HG GLU 622 1HG GLU 622 -5.411 -7.877 -22.151 932 2HG GLU 622 2HG GLU 622 -5.449 -6.543 -21.000 933 H GLU 623 H GLU 623 -2.213 -9.708 -22.265 934 HA GLU 623 HA GLU 623 -4.241 -11.503 -22.771 935 1HB GLU 623 1HB GLU 623 -1.289 -12.091 -22.566 936 2HB GLU 623 2HB GLU 623 -2.470 -13.113 -23.365 937 1HG GLU 623 1HG GLU 623 -2.940 -11.277 -24.938 938 2HG GLU 623 2HG GLU 623 -1.682 -10.325 -24.159 939 H GLU 624 H GLU 624 -4.774 -13.573 -21.946 940 HA GLU 624 HA GLU 624 -4.907 -13.532 -19.167 941 1HB GLU 624 1HB GLU 624 -6.121 -15.618 -19.248 942 2HB GLU 624 2HB GLU 624 -6.706 -14.507 -20.466 943 1HG GLU 624 1HG GLU 624 -5.454 -15.758 -22.170 944 2HG GLU 624 2HG GLU 624 -4.924 -16.888 -20.922 945 H GLU 625 H GLU 625 -2.401 -14.787 -21.096 946 HA GLU 625 HA GLU 625 -1.435 -16.725 -19.321 947 1HB GLU 625 1HB GLU 625 0.787 -16.381 -20.335 948 2HB GLU 625 2HB GLU 625 -0.471 -16.522 -21.548 949 1HG GLU 625 1HG GLU 625 -0.449 -14.129 -21.890 950 2HG GLU 625 2HG GLU 625 0.739 -13.940 -20.599 951 H ARG 626 H ARG 626 -1.140 -13.180 -19.227 952 HA ARG 626 HA ARG 626 0.602 -13.013 -17.046 953 1HB ARG 626 1HB ARG 626 0.413 -10.897 -17.870 954 2HB ARG 626 2HB ARG 626 -1.087 -11.273 -18.680 955 1HG ARG 626 1HG ARG 626 -1.458 -9.409 -17.264 956 2HG ARG 626 2HG ARG 626 -2.268 -10.782 -16.531 957 1HD ARG 626 1HD ARG 626 -0.450 -11.020 -14.952 958 2HD ARG 626 2HD ARG 626 0.423 -9.675 -15.668 959 HE ARG 626 HE ARG 626 -2.248 -9.004 -14.908 960 1HH1 ARG 626 1HH1 ARG 626 1.071 -9.143 -13.729 961 2HH1 ARG 626 2HH1 ARG 626 0.801 -8.313 -12.293 962 1HH2 ARG 626 1HH2 ARG 626 -2.645 -7.659 -13.039 963 2HH2 ARG 626 2HH2 ARG 626 -1.402 -7.306 -11.944 964 H ARG 627 H ARG 627 -2.816 -13.526 -17.385 965 HA ARG 627 HA ARG 627 -3.418 -13.071 -14.614 966 1HB ARG 627 1HB ARG 627 -5.130 -14.417 -16.709 967 2HB ARG 627 2HB ARG 627 -5.681 -13.691 -15.202 968 1HG ARG 627 1HG ARG 627 -4.965 -11.493 -15.983 969 2HG ARG 627 2HG ARG 627 -4.407 -12.203 -17.493 970 1HD ARG 627 1HD ARG 627 -6.778 -12.977 -17.859 971 2HD ARG 627 2HD ARG 627 -7.228 -11.985 -16.470 972 HE ARG 627 HE ARG 627 -6.148 -11.009 -19.022 973 1HH1 ARG 627 1HH1 ARG 627 -7.795 -10.290 -15.945 974 2HH1 ARG 627 2HH1 ARG 627 -8.217 -8.716 -16.435 975 1HH2 ARG 627 1HH2 ARG 627 -6.753 -8.885 -19.630 976 2HH2 ARG 627 2HH2 ARG 627 -7.601 -7.885 -18.545 977 H ILE 628 H ILE 628 -2.684 -15.836 -16.646 978 HA ILE 628 HA ILE 628 -3.217 -17.864 -14.762 979 HB ILE 628 HB ILE 628 -1.290 -17.737 -17.100 980 1HG1 ILE 628 1HG1 ILE 628 -3.977 -19.099 -16.878 981 2HG1 ILE 628 2HG1 ILE 628 -3.716 -17.523 -17.615 982 1HG2 ILE 628 1HG2 ILE 628 -0.543 -19.440 -15.512 983 2HG2 ILE 628 2HG2 ILE 628 -1.123 -20.163 -17.011 984 3HG2 ILE 628 3HG2 ILE 628 -2.134 -20.206 -15.569 985 1HD1 ILE 628 1HD1 ILE 628 -2.268 -18.537 -19.262 986 2HD1 ILE 628 2HD1 ILE 628 -3.880 -19.250 -19.295 987 3HD1 ILE 628 3HD1 ILE 628 -2.535 -20.126 -18.546 988 H ALA 629 H ALA 629 -0.320 -16.009 -15.579 989 HA ALA 629 HA ALA 629 1.394 -17.265 -13.754 990 1HB ALA 629 1HB ALA 629 1.529 -14.445 -14.830 991 2HB ALA 629 2HB ALA 629 2.201 -15.877 -15.611 992 3HB ALA 629 3HB ALA 629 2.853 -15.325 -14.066 993 H GLU 630 H GLU 630 -0.650 -14.404 -13.481 994 HA GLU 630 HA GLU 630 0.305 -13.808 -10.846 995 1HB GLU 630 1HB GLU 630 -1.998 -12.601 -12.330 996 2HB GLU 630 2HB GLU 630 -1.259 -11.963 -10.867 997 1HG GLU 630 1HG GLU 630 0.047 -12.301 -13.534 998 2HG GLU 630 2HG GLU 630 -0.507 -10.781 -12.840 999 H MET 631 H MET 631 -1.794 -16.132 -11.781 1000 HA MET 631 HA MET 631 -3.325 -15.793 -9.329 1001 1HB MET 631 1HB MET 631 -4.679 -17.714 -9.961 1002 2HB MET 631 2HB MET 631 -4.571 -16.622 -11.326 1003 1HG MET 631 1HG MET 631 -2.876 -18.082 -12.329 1004 2HG MET 631 2HG MET 631 -3.030 -19.175 -10.956 1005 1HE MET 631 1HE MET 631 -3.486 -21.180 -12.618 1006 2HE MET 631 2HE MET 631 -3.356 -20.087 -13.992 1007 3HE MET 631 3HE MET 631 -4.743 -21.168 -13.857 1008 H GLY 632 H GLY 632 -0.483 -17.105 -10.441 1009 1HA GLY 632 1HA GLY 632 -0.246 -19.156 -8.411 1010 2HA GLY 632 2HA GLY 632 0.997 -18.651 -9.558 1011 H ARG 633 H ARG 633 0.426 -15.817 -8.864 1012 HA ARG 633 HA ARG 633 1.969 -15.632 -6.368 1013 1HB ARG 633 1HB ARG 633 1.269 -13.483 -8.412 1014 2HB ARG 633 2HB ARG 633 2.139 -13.198 -6.933 1015 1HG ARG 633 1HG ARG 633 3.663 -13.124 -8.752 1016 2HG ARG 633 2HG ARG 633 3.987 -14.600 -7.846 1017 1HD ARG 633 1HD ARG 633 3.496 -15.882 -9.597 1018 2HD ARG 633 2HD ARG 633 2.031 -14.978 -9.943 1019 HE ARG 633 HE ARG 633 3.314 -13.422 -11.182 1020 1HH1 ARG 633 1HH1 ARG 633 5.070 -16.340 -10.269 1021 2HH1 ARG 633 2HH1 ARG 633 6.099 -16.341 -11.648 1022 1HH2 ARG 633 1HH2 ARG 633 4.742 -13.380 -13.035 1023 2HH2 ARG 633 2HH2 ARG 633 5.875 -14.637 -13.283 1024 HA PRO 634 HA PRO 634 -1.809 -13.753 -4.824 1025 1HB PRO 634 1HB PRO 634 -0.643 -12.350 -2.755 1026 2HB PRO 634 2HB PRO 634 -1.297 -13.966 -2.584 1027 1HG PRO 634 1HG PRO 634 1.498 -13.120 -2.623 1028 2HG PRO 634 2HG PRO 634 0.818 -14.681 -2.152 1029 1HD PRO 634 1HD PRO 634 2.199 -14.018 -4.551 1030 2HD PRO 634 2HD PRO 634 1.426 -15.555 -4.132 1031 H ILE 635 H ILE 635 -2.600 -11.729 -5.499 1032 HA ILE 635 HA ILE 635 -0.501 -9.829 -6.044 1033 HB ILE 635 HB ILE 635 -1.922 -8.943 -7.964 1034 1HG1 ILE 635 1HG1 ILE 635 -3.158 -10.780 -9.222 1035 2HG1 ILE 635 2HG1 ILE 635 -3.087 -11.737 -7.751 1036 1HG2 ILE 635 1HG2 ILE 635 -0.451 -11.549 -8.227 1037 2HG2 ILE 635 2HG2 ILE 635 0.246 -9.931 -8.244 1038 3HG2 ILE 635 3HG2 ILE 635 -0.813 -10.442 -9.555 1039 1HD1 ILE 635 1HD1 ILE 635 -5.253 -10.676 -8.033 1040 2HD1 ILE 635 2HD1 ILE 635 -4.482 -9.090 -8.082 1041 3HD1 ILE 635 3HD1 ILE 635 -4.432 -10.049 -6.604 1042 H LEU 636 H LEU 636 -1.379 -7.623 -6.614 1043 HA LEU 636 HA LEU 636 -2.409 -6.713 -4.130 1044 1HB LEU 636 1HB LEU 636 -1.880 -4.494 -4.848 1045 2HB LEU 636 2HB LEU 636 -0.560 -5.550 -5.263 1046 HG LEU 636 HG LEU 636 -0.666 -4.056 -7.021 1047 1HD1 LEU 636 1HD1 LEU 636 -1.408 -5.191 -9.028 1048 2HD1 LEU 636 2HD1 LEU 636 -2.235 -6.366 -7.996 1049 3HD1 LEU 636 3HD1 LEU 636 -0.476 -6.227 -7.931 1050 1HD2 LEU 636 1HD2 LEU 636 -2.689 -3.359 -8.232 1051 2HD2 LEU 636 2HD2 LEU 636 -2.723 -2.919 -6.526 1052 3HD2 LEU 636 3HD2 LEU 636 -3.664 -4.296 -7.100 1053 H GLY 637 H GLY 637 -4.011 -4.962 -4.066 1054 1HA GLY 637 1HA GLY 637 -6.512 -6.017 -5.113 1055 2HA GLY 637 2HA GLY 637 -6.295 -4.766 -3.915 1056 H GLU 638 H GLU 638 -6.934 -2.858 -4.506 1057 HA GLU 638 HA GLU 638 -7.092 -2.310 -7.342 1058 1HB GLU 638 1HB GLU 638 -9.095 -2.007 -5.930 1059 2HB GLU 638 2HB GLU 638 -8.241 -0.758 -5.032 1060 1HG GLU 638 1HG GLU 638 -9.732 0.225 -6.671 1061 2HG GLU 638 2HG GLU 638 -8.052 0.553 -7.105 1062 H HIS 639 H HIS 639 -6.238 -0.387 -4.443 1063 HA HIS 639 HA HIS 639 -4.378 0.929 -6.223 1064 1HB HIS 639 1HB HIS 639 -4.680 3.020 -4.838 1065 2HB HIS 639 2HB HIS 639 -6.044 2.538 -5.829 1066 HD1 HIS 639 HD1 HIS 639 -5.002 2.935 -2.223 1067 HD2 HIS 639 HD2 HIS 639 -8.341 1.826 -4.431 1068 HE1 HIS 639 HE1 HIS 639 -6.950 2.992 -0.628 1069 H THR 640 H THR 640 -2.424 0.354 -5.862 1070 HA THR 640 HA THR 640 -1.544 0.158 -3.113 1071 HB THR 640 HB THR 640 0.612 -0.674 -4.257 1072 HG1 THR 640 HG1 THR 640 0.368 -1.420 -6.366 1073 1HG2 THR 640 1HG2 THR 640 -0.296 -2.931 -4.571 1074 2HG2 THR 640 2HG2 THR 640 -1.930 -2.261 -4.580 1075 3HG2 THR 640 3HG2 THR 640 -0.943 -2.164 -3.121 1076 H LYS 641 H LYS 641 -1.513 2.247 -2.576 1077 HA LYS 641 HA LYS 641 0.579 3.944 -3.409 1078 1HB LYS 641 1HB LYS 641 -0.825 4.257 -5.345 1079 2HB LYS 641 2HB LYS 641 -2.245 4.491 -4.344 1080 1HG LYS 641 1HG LYS 641 -1.622 6.664 -5.085 1081 2HG LYS 641 2HG LYS 641 -1.074 6.543 -3.420 1082 1HD LYS 641 1HD LYS 641 1.149 6.198 -4.050 1083 2HD LYS 641 2HD LYS 641 0.726 6.026 -5.764 1084 1HE LYS 641 1HE LYS 641 0.415 8.518 -4.083 1085 2HE LYS 641 2HE LYS 641 1.646 8.251 -5.311 1086 1HZ LYS 641 1HZ LYS 641 -0.209 9.601 -6.147 1087 2HZ LYS 641 2HZ LYS 641 -1.292 8.358 -5.837 1088 3HZ LYS 641 3HZ LYS 641 -0.112 8.148 -6.998 1089 H LEU 642 H LEU 642 0.835 5.284 -1.783 1090 HA LEU 642 HA LEU 642 -1.437 6.143 -0.224 1091 1HB LEU 642 1HB LEU 642 -0.431 4.255 1.015 1092 2HB LEU 642 2HB LEU 642 1.108 5.106 0.943 1093 HG LEU 642 HG LEU 642 0.056 6.977 2.184 1094 1HD1 LEU 642 1HD1 LEU 642 -1.946 6.485 3.503 1095 2HD1 LEU 642 2HD1 LEU 642 -2.155 4.998 2.573 1096 3HD1 LEU 642 3HD1 LEU 642 -2.256 6.569 1.771 1097 1HD2 LEU 642 1HD2 LEU 642 0.187 4.310 3.540 1098 2HD2 LEU 642 2HD2 LEU 642 0.167 5.896 4.327 1099 3HD2 LEU 642 3HD2 LEU 642 1.523 5.444 3.293 1100 H GLU 643 H GLU 643 -1.304 8.138 -0.750 1101 HA GLU 643 HA GLU 643 1.244 9.486 -0.984 1102 1HB GLU 643 1HB GLU 643 -0.660 9.632 -2.651 1103 2HB GLU 643 2HB GLU 643 -1.563 10.454 -1.399 1104 1HG GLU 643 1HG GLU 643 -0.154 12.330 -1.482 1105 2HG GLU 643 2HG GLU 643 1.038 11.473 -2.463 1106 H VAL 644 H VAL 644 1.995 9.848 1.072 1107 HA VAL 644 HA VAL 644 0.158 10.670 3.156 1108 HB VAL 644 HB VAL 644 3.142 10.310 3.271 1109 1HG1 VAL 644 1HG1 VAL 644 2.148 11.582 5.080 1110 2HG1 VAL 644 2HG1 VAL 644 2.809 10.064 5.655 1111 3HG1 VAL 644 3HG1 VAL 644 1.063 10.242 5.445 1112 1HG2 VAL 644 1HG2 VAL 644 1.056 8.222 3.912 1113 2HG2 VAL 644 2HG2 VAL 644 2.814 8.020 4.004 1114 3HG2 VAL 644 3HG2 VAL 644 2.031 8.258 2.456 1115 H ILE 645 H ILE 645 -0.295 12.793 3.073 1116 HA ILE 645 HA ILE 645 1.874 14.586 2.362 1117 HB ILE 645 HB ILE 645 -1.062 15.269 2.845 1118 1HG1 ILE 645 1HG1 ILE 645 -0.883 15.879 0.286 1119 2HG1 ILE 645 2HG1 ILE 645 0.529 14.856 0.316 1120 1HG2 ILE 645 1HG2 ILE 645 1.186 17.017 1.850 1121 2HG2 ILE 645 2HG2 ILE 645 0.399 17.122 3.425 1122 3HG2 ILE 645 3HG2 ILE 645 -0.510 17.487 1.957 1123 1HD1 ILE 645 1HD1 ILE 645 -0.831 12.942 0.996 1124 2HD1 ILE 645 2HD1 ILE 645 -1.441 13.632 -0.497 1125 3HD1 ILE 645 3HD1 ILE 645 -2.266 13.951 1.012 1126 H ILE 646 H ILE 646 3.046 15.484 3.877 1127 HA ILE 646 HA ILE 646 2.152 15.192 6.656 1128 HB ILE 646 HB ILE 646 4.975 15.779 5.750 1129 1HG1 ILE 646 1HG1 ILE 646 5.419 13.301 6.345 1130 2HG1 ILE 646 2HG1 ILE 646 3.694 13.080 6.090 1131 1HG2 ILE 646 1HG2 ILE 646 4.517 16.293 8.059 1132 2HG2 ILE 646 2HG2 ILE 646 5.610 14.910 7.946 1133 3HG2 ILE 646 3HG2 ILE 646 3.912 14.655 8.328 1134 1HD1 ILE 646 1HD1 ILE 646 5.661 14.121 4.074 1135 2HD1 ILE 646 2HD1 ILE 646 3.949 13.940 3.807 1136 3HD1 ILE 646 3HD1 ILE 646 4.952 12.503 4.090 1137 H GLU 647 H GLU 647 1.386 17.039 7.381 1138 HA GLU 647 HA GLU 647 2.675 19.407 6.360 1139 1HB GLU 647 1HB GLU 647 0.429 20.542 6.828 1140 2HB GLU 647 2HB GLU 647 0.610 19.562 5.384 1141 1HG GLU 647 1HG GLU 647 -0.505 17.709 6.543 1142 2HG GLU 647 2HG GLU 647 -0.792 18.740 7.939 1143 H GLU 648 H GLU 648 2.861 21.173 7.599 1144 HA GLU 648 HA GLU 648 4.074 20.772 10.049 1145 1HB GLU 648 1HB GLU 648 4.355 22.677 8.439 1146 2HB GLU 648 2HB GLU 648 2.830 23.322 9.008 1147 1HG GLU 648 1HG GLU 648 4.685 24.471 10.007 1148 2HG GLU 648 2HG GLU 648 3.784 23.585 11.236 1149 H SER 649 H SER 649 3.374 20.835 12.152 1150 HA SER 649 HA SER 649 0.809 20.119 12.820 1151 1HB SER 649 1HB SER 649 2.840 19.792 14.238 1152 2HB SER 649 2HB SER 649 2.809 21.510 14.624 1153 HG SER 649 HG SER 649 0.407 20.271 15.096 1154 H TYR 650 H TYR 650 -0.987 21.130 12.916 1155 HA TYR 650 HA TYR 650 -1.247 23.916 13.553 1156 1HB TYR 650 1HB TYR 650 -0.834 24.310 11.277 1157 2HB TYR 650 2HB TYR 650 -1.551 22.790 10.782 1158 HD1 TYR 650 HD1 TYR 650 -2.353 26.226 11.944 1159 HD2 TYR 650 HD2 TYR 650 -3.757 22.656 10.133 1160 HE1 TYR 650 HE1 TYR 650 -4.474 27.339 11.370 1161 HE2 TYR 650 HE2 TYR 650 -5.836 23.707 9.577 1162 HH TYR 650 HH TYR 650 -7.113 25.559 10.563 1163 H GLU 651 H GLU 651 -3.020 21.287 11.947 1164 HA GLU 651 HA GLU 651 -4.815 20.955 14.135 1165 1HB GLU 651 1HB GLU 651 -5.805 21.875 11.403 1166 2HB GLU 651 2HB GLU 651 -6.831 20.998 12.517 1167 1HG GLU 651 1HG GLU 651 -6.512 22.875 14.150 1168 2HG GLU 651 2HG GLU 651 -5.657 23.748 12.882 1169 H PHE 652 H PHE 652 -6.510 19.227 12.994 1170 HA PHE 652 HA PHE 652 -4.628 17.213 12.016 1171 1HB PHE 652 1HB PHE 652 -5.934 16.643 14.084 1172 2HB PHE 652 2HB PHE 652 -7.407 16.737 13.120 1173 HD1 PHE 652 HD1 PHE 652 -8.095 14.913 11.773 1174 HD2 PHE 652 HD2 PHE 652 -4.213 14.931 13.508 1175 HE1 PHE 652 HE1 PHE 652 -7.780 12.570 11.087 1176 HE2 PHE 652 HE2 PHE 652 -3.888 12.600 12.833 1177 HZ PHE 652 HZ PHE 652 -5.675 11.406 11.616 1178 H LYS 653 H LYS 653 -4.677 16.697 10.038 1179 HA LYS 653 HA LYS 653 -6.951 17.515 8.409 1180 1HB LYS 653 1HB LYS 653 -4.018 17.299 7.821 1181 2HB LYS 653 2HB LYS 653 -5.228 17.487 6.562 1182 1HG LYS 653 1HG LYS 653 -5.033 19.423 8.846 1183 2HG LYS 653 2HG LYS 653 -4.009 19.578 7.422 1184 1HD LYS 653 1HD LYS 653 -7.027 19.472 7.349 1185 2HD LYS 653 2HD LYS 653 -6.086 20.961 7.346 1186 1HE LYS 653 1HE LYS 653 -5.969 18.781 5.232 1187 2HE LYS 653 2HE LYS 653 -6.754 20.345 5.074 1188 1HZ LYS 653 1HZ LYS 653 -4.604 21.426 5.276 1189 2HZ LYS 653 2HZ LYS 653 -4.566 20.336 4.021 1190 3HZ LYS 653 3HZ LYS 653 -3.813 19.963 5.479 1191 H SER 654 H SER 654 -7.910 16.025 7.205 1192 HA SER 654 HA SER 654 -6.589 13.566 6.556 1193 1HB SER 654 1HB SER 654 -8.518 12.202 7.473 1194 2HB SER 654 2HB SER 654 -7.486 12.935 8.703 1195 HG SER 654 HG SER 654 -9.486 14.598 7.982 1196 H THR 655 H THR 655 -7.180 13.016 4.540 1197 HA THR 655 HA THR 655 -9.418 14.464 3.396 1198 HB THR 655 HB THR 655 -7.223 12.864 2.033 1199 HG1 THR 655 HG1 THR 655 -6.210 14.735 2.337 1200 1HG2 THR 655 1HG2 THR 655 -9.316 12.822 0.721 1201 2HG2 THR 655 2HG2 THR 655 -8.092 13.821 -0.066 1202 3HG2 THR 655 3HG2 THR 655 -9.409 14.580 0.824 1203 H VAL 656 H VAL 656 -11.263 13.484 3.740 1204 HA VAL 656 HA VAL 656 -11.416 10.614 3.873 1205 HB VAL 656 HB VAL 656 -13.837 10.957 4.327 1206 1HG1 VAL 656 1HG1 VAL 656 -11.976 12.633 6.010 1207 2HG1 VAL 656 2HG1 VAL 656 -12.263 10.900 6.182 1208 3HG1 VAL 656 3HG1 VAL 656 -13.559 12.047 6.516 1209 1HG2 VAL 656 1HG2 VAL 656 -13.146 13.890 4.109 1210 2HG2 VAL 656 2HG2 VAL 656 -14.672 13.238 4.703 1211 3HG2 VAL 656 3HG2 VAL 656 -14.201 12.984 3.021 1212 H ASP 657 H ASP 657 -13.115 9.463 2.651 1213 HA ASP 657 HA ASP 657 -12.822 10.187 -0.173 1214 1HB ASP 657 1HB ASP 657 -11.998 7.968 0.574 1215 2HB ASP 657 2HB ASP 657 -13.631 7.553 1.073
Contact the webmaster for help, if required. Saturday, May 18, 2024 11:53:09 AM GMT (wattos1)