NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
643574 | 6soe | 34429 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 510 HT1 GLY 510 15.869 -8.153 1.140 2 H2 GLY 510 HT2 GLY 510 14.391 -7.695 0.465 3 H3 GLY 510 HT3 GLY 510 14.453 -8.243 2.062 4 HA2 GLY 510 HA1 GLY 510 14.218 -5.864 2.037 5 HA3 GLY 510 HA2 GLY 510 15.781 -6.328 2.693 6 H ALA 511 HN ALA 511 16.348 -4.107 2.152 7 HA ALA 511 HA ALA 511 17.405 -2.532 0.910 8 HB1 ALA 511 HB1 ALA 511 18.898 -3.290 -0.860 9 HB2 ALA 511 HB2 ALA 511 18.102 -4.863 -0.875 10 HB3 ALA 511 HB3 ALA 511 19.006 -4.347 0.549 11 H MET 512 HN MET 512 14.628 -2.908 0.432 12 HA MET 512 HA MET 512 14.428 -1.636 -2.158 13 HB2 MET 512 HB2 MET 512 12.590 -3.153 -2.905 14 HB3 MET 512 HB3 MET 512 14.169 -3.917 -2.851 15 HG2 MET 512 HG2 MET 512 12.719 -5.513 -1.988 16 HG3 MET 512 HG3 MET 512 13.477 -4.806 -0.566 17 HE1 MET 512 HE1 MET 512 9.826 -5.716 0.602 18 HE2 MET 512 HE2 MET 512 11.546 -5.951 0.909 19 HE3 MET 512 HE3 MET 512 10.817 -6.599 -0.560 20 H ALA 513 HN ALA 513 12.257 -0.755 -2.537 21 HA ALA 513 HA ALA 513 10.466 0.487 -1.944 22 HB1 ALA 513 HB1 ALA 513 8.983 -0.331 -0.232 23 HB2 ALA 513 HB2 ALA 513 10.244 -1.399 0.387 24 HB3 ALA 513 HB3 ALA 513 9.568 -1.670 -1.220 25 H GLN 514 HN GLN 514 9.406 1.482 0.281 26 HA GLN 514 HA GLN 514 9.638 3.340 1.577 27 HB2 GLN 514 HB2 GLN 514 11.828 1.575 2.672 28 HB3 GLN 514 HB3 GLN 514 11.318 3.072 3.443 29 HG2 GLN 514 HG2 GLN 514 9.045 2.168 3.653 30 HG3 GLN 514 HG3 GLN 514 9.597 0.657 2.933 31 HE21 GLN 514 HE21 GLN 514 9.024 -0.498 4.763 32 HE22 GLN 514 HE22 GLN 514 9.930 -0.414 6.237 33 H ARG 515 HN ARG 515 10.299 4.401 -0.448 34 HA ARG 515 HA ARG 515 13.016 4.816 -1.107 35 HB2 ARG 515 HB2 ARG 515 10.543 6.365 -1.887 36 HB3 ARG 515 HB3 ARG 515 12.119 6.520 -2.654 37 HG2 ARG 515 HG2 ARG 515 10.521 3.963 -2.546 38 HG3 ARG 515 HG3 ARG 515 10.541 5.085 -3.914 39 HD2 ARG 515 HD2 ARG 515 12.887 3.552 -2.789 40 HD3 ARG 515 HD3 ARG 515 12.087 3.271 -4.336 41 HE ARG 515 HE ARG 515 12.868 5.817 -4.592 42 HH11 ARG 515 HH11 ARG 515 14.609 2.967 -3.535 43 HH12 ARG 515 HH12 ARG 515 16.150 3.561 -4.062 44 HH21 ARG 515 HH21 ARG 515 14.897 6.593 -5.295 45 HH22 ARG 515 HH22 ARG 515 16.313 5.608 -5.079 46 H LYS 516 HN LYS 516 10.647 6.680 0.699 47 HA LYS 516 HA LYS 516 12.844 8.365 1.683 48 HB2 LYS 516 HB2 LYS 516 9.858 8.786 1.648 49 HB3 LYS 516 HB3 LYS 516 10.923 9.748 2.666 50 HG2 LYS 516 HG2 LYS 516 12.139 10.500 0.688 51 HG3 LYS 516 HG3 LYS 516 11.077 9.534 -0.335 52 HD2 LYS 516 HD2 LYS 516 9.170 10.857 0.331 53 HD3 LYS 516 HD3 LYS 516 10.157 11.755 1.485 54 HE2 LYS 516 HE2 LYS 516 10.581 11.726 -1.499 55 HE3 LYS 516 HE3 LYS 516 9.736 12.995 -0.616 56 HZ1 LYS 516 HZ1 LYS 516 11.760 13.462 0.599 57 HZ2 LYS 516 HZ2 LYS 516 12.044 13.581 -1.063 58 HZ3 LYS 516 HZ3 LYS 516 12.578 12.224 -0.211 59 H GLY 517 HN GLY 517 13.123 8.623 3.932 60 HA2 GLY 517 HA2 GLY 517 12.814 6.120 5.291 61 HA3 GLY 517 HA1 GLY 517 13.635 7.545 5.903 62 H ALA 518 HN ALA 518 10.369 6.360 5.198 63 HA ALA 518 HA ALA 518 9.525 7.110 7.873 64 HB1 ALA 518 HB1 ALA 518 8.160 8.241 5.428 65 HB2 ALA 518 HB2 ALA 518 9.102 9.154 6.608 66 HB3 ALA 518 HB3 ALA 518 7.587 8.391 7.089 67 H GLY 519 HN GLY 519 7.623 6.485 4.942 68 HA2 GLY 519 HA2 GLY 519 6.547 4.543 4.259 69 HA3 GLY 519 HA1 GLY 519 7.232 3.711 5.645 70 H ARG 520 HN ARG 520 4.476 3.920 4.449 71 HA ARG 520 HA ARG 520 3.100 3.923 6.979 72 HB2 ARG 520 HB2 ARG 520 2.380 5.918 4.838 73 HB3 ARG 520 HB3 ARG 520 1.191 5.330 5.987 74 HG2 ARG 520 HG2 ARG 520 2.743 6.149 7.806 75 HG3 ARG 520 HG3 ARG 520 3.646 6.964 6.526 76 HD2 ARG 520 HD2 ARG 520 1.744 8.268 5.912 77 HD3 ARG 520 HD3 ARG 520 0.691 7.327 6.968 78 HE ARG 520 HE ARG 520 2.881 8.755 8.248 79 HH11 ARG 520 HH11 ARG 520 -0.524 8.680 7.412 80 HH12 ARG 520 HH12 ARG 520 -0.970 9.858 8.601 81 HH21 ARG 520 HH21 ARG 520 2.288 10.317 9.809 82 HH22 ARG 520 HH22 ARG 520 0.626 10.791 9.962 83 H VAL 521 HN VAL 521 1.376 2.578 6.963 84 HA VAL 521 HA VAL 521 0.850 1.192 4.440 85 HB VAL 521 HB VAL 521 0.298 0.327 7.283 86 HG11 VAL 521 HG11 VAL 521 -0.367 -1.824 6.327 87 HG12 VAL 521 HG12 VAL 521 -0.158 -1.172 4.702 88 HG13 VAL 521 HG13 VAL 521 -1.417 -0.526 5.755 89 HG21 VAL 521 HG21 VAL 521 2.625 0.196 6.816 90 HG22 VAL 521 HG22 VAL 521 2.328 -0.517 5.232 91 HG23 VAL 521 HG23 VAL 521 1.977 -1.441 6.695 92 H VAL 522 HN VAL 522 -1.050 1.298 3.497 93 HA VAL 522 HA VAL 522 -3.280 2.598 4.902 94 HB VAL 522 HB VAL 522 -2.838 2.061 1.956 95 HG11 VAL 522 HG11 VAL 522 -5.192 1.885 2.502 96 HG12 VAL 522 HG12 VAL 522 -4.857 3.341 1.568 97 HG13 VAL 522 HG13 VAL 522 -5.129 3.454 3.306 98 HG21 VAL 522 HG21 VAL 522 -2.891 4.625 3.532 99 HG22 VAL 522 HG22 VAL 522 -2.736 4.502 1.780 100 HG23 VAL 522 HG23 VAL 522 -1.463 3.866 2.827 101 H HIS 523 HN HIS 523 -5.079 1.426 5.425 102 HA HIS 523 HA HIS 523 -5.068 -1.368 4.520 103 HB2 HIS 523 HB2 HIS 523 -5.923 -2.084 6.525 104 HB3 HIS 523 HB3 HIS 523 -5.013 -0.692 7.079 105 HD1 HIS 523 HD1 HIS 523 -6.290 0.966 8.467 106 HD2 HIS 523 HD2 HIS 523 -8.796 -1.561 6.318 107 HE1 HIS 523 HE1 HIS 523 -8.604 1.432 9.313 108 HE2 HIS 523 HE2 HIS 523 -10.077 -0.240 8.135 109 H ILE 524 HN ILE 524 -6.702 -2.145 3.378 110 HA ILE 524 HA ILE 524 -8.882 -0.271 2.747 111 HB ILE 524 HB ILE 524 -7.591 -2.359 0.987 112 HG12 ILE 524 HG12 ILE 524 -7.675 0.660 0.799 113 HG13 ILE 524 HG13 ILE 524 -6.288 -0.287 1.318 114 HG21 ILE 524 HG21 ILE 524 -9.939 -0.547 0.448 115 HG22 ILE 524 HG22 ILE 524 -9.943 -2.311 0.499 116 HG23 ILE 524 HG23 ILE 524 -9.080 -1.467 -0.787 117 HD11 ILE 524 HD11 ILE 524 -6.105 0.499 -0.993 118 HD12 ILE 524 HD12 ILE 524 -7.551 -0.422 -1.409 119 HD13 ILE 524 HD13 ILE 524 -6.092 -1.258 -0.876 120 H CYS 525 HN CYS 525 -10.900 -0.897 3.071 121 HA CYS 525 HA CYS 525 -11.370 -3.695 3.858 122 HB2 CYS 525 HB2 CYS 525 -13.113 -2.810 5.392 123 HB3 CYS 525 HB3 CYS 525 -11.498 -2.244 5.799 124 HG CYS 525 HG CYS 525 -14.064 -0.478 4.416 125 H ASN 526 HN ASN 526 -13.872 -4.096 3.837 126 HA ASN 526 HA ASN 526 -15.800 -4.359 2.677 127 HB2 ASN 526 HB2 ASN 526 -15.026 -1.752 1.347 128 HB3 ASN 526 HB3 ASN 526 -16.574 -2.562 1.137 129 HD21 ASN 526 HD21 ASN 526 -18.060 -2.552 2.821 130 HD22 ASN 526 HD22 ASN 526 -17.918 -1.471 4.163 131 H LEU 527 HN LEU 527 -13.219 -5.394 1.798 132 HA LEU 527 HA LEU 527 -13.320 -5.398 -1.102 133 HB2 LEU 527 HB2 LEU 527 -11.503 -6.694 0.927 134 HB3 LEU 527 HB1 LEU 527 -11.334 -6.943 -0.800 135 HG LEU 527 HG LEU 527 -11.198 -4.215 0.479 136 HD11 LEU 527 HD11 LEU 527 -8.801 -4.373 0.361 137 HD12 LEU 527 HD12 LEU 527 -8.903 -5.998 -0.322 138 HD13 LEU 527 HD13 LEU 527 -9.415 -5.706 1.341 139 HD21 LEU 527 HD21 LEU 527 -10.083 -3.643 -1.634 140 HD22 LEU 527 HD22 LEU 527 -11.729 -4.219 -1.887 141 HD23 LEU 527 HD23 LEU 527 -10.363 -5.284 -2.213 142 HA PRO 528 HA PRO 528 -15.737 -9.228 -1.038 143 HB2 PRO 528 HB2 PRO 528 -15.537 -9.030 -3.944 144 HB3 PRO 528 HB3 PRO 528 -16.975 -9.003 -2.925 145 HG2 PRO 528 HG2 PRO 528 -16.085 -6.817 -4.253 146 HG3 PRO 528 HG3 PRO 528 -16.941 -6.724 -2.702 147 HD2 PRO 528 HD2 PRO 528 -14.012 -6.501 -3.269 148 HD3 PRO 528 HD3 PRO 528 -15.016 -5.584 -2.124 149 H GLU 529 HN GLU 529 -14.817 -11.173 -0.878 150 HA GLU 529 HA GLU 529 -12.195 -11.683 -1.870 151 HB2 GLU 529 HB2 GLU 529 -12.692 -14.075 -1.145 152 HB3 GLU 529 HB3 GLU 529 -12.689 -12.844 0.103 153 HG2 GLU 529 HG2 GLU 529 -15.229 -13.739 -1.206 154 HG3 GLU 529 HG3 GLU 529 -14.522 -14.617 0.149 155 H GLY 530 HN GLY 530 -11.553 -12.494 -3.735 156 HA2 GLY 530 HA2 GLY 530 -11.638 -13.875 -5.615 157 HA3 GLY 530 HA1 GLY 530 -13.349 -14.132 -5.328 158 H SER 531 HN SER 531 -13.516 -11.036 -5.081 159 HA SER 531 HA SER 531 -13.980 -10.699 -7.946 160 HB2 SER 531 HB2 SER 531 -14.805 -8.869 -5.690 161 HB3 SER 531 HB3 SER 531 -15.411 -8.859 -7.342 162 HG SER 531 HG SER 531 -15.945 -11.213 -6.727 163 H CYS 532 HN CYS 532 -12.214 -9.223 -5.281 164 HA CYS 532 HA CYS 532 -10.968 -7.286 -7.043 165 HB2 CYS 532 HB2 CYS 532 -10.394 -7.919 -4.139 166 HB3 CYS 532 HB3 CYS 532 -9.810 -6.519 -5.035 167 HG CYS 532 HG CYS 532 -11.696 -5.100 -4.002 168 H THR 533 HN THR 533 -8.860 -7.395 -7.795 169 HA THR 533 HA THR 533 -7.436 -9.897 -7.195 170 HB THR 533 HB THR 533 -6.070 -9.479 -9.177 171 HG1 THR 533 HG1 THR 533 -7.709 -7.156 -9.532 172 HG21 THR 533 HG21 THR 533 -9.023 -9.222 -9.749 173 HG22 THR 533 HG22 THR 533 -8.136 -10.725 -9.493 174 HG23 THR 533 HG23 THR 533 -7.798 -9.732 -10.911 175 H GLU 534 HN GLU 534 -4.956 -9.586 -7.149 176 HA GLU 534 HA GLU 534 -4.245 -7.858 -5.078 177 HB2 GLU 534 HB2 GLU 534 -2.386 -8.889 -7.223 178 HB3 GLU 534 HB3 GLU 534 -1.947 -8.376 -5.601 179 HG2 GLU 534 HG2 GLU 534 -3.139 -10.243 -4.646 180 HG3 GLU 534 HG3 GLU 534 -3.691 -10.736 -6.245 181 H ASN 535 HN ASN 535 -4.198 -7.459 -8.550 182 HA ASN 535 HA ASN 535 -2.642 -5.117 -8.672 183 HB2 ASN 535 HB2 ASN 535 -4.758 -6.036 -10.627 184 HB3 ASN 535 HB3 ASN 535 -3.479 -4.873 -10.952 185 HD21 ASN 535 HD21 ASN 535 -4.322 -8.196 -10.666 186 HD22 ASN 535 HD22 ASN 535 -2.800 -8.846 -11.162 187 H ASP 536 HN ASP 536 -6.153 -5.612 -8.427 188 HA ASP 536 HA ASP 536 -6.927 -2.978 -8.991 189 HB2 ASP 536 HB2 ASP 536 -8.308 -5.016 -7.231 190 HB3 ASP 536 HB3 ASP 536 -9.027 -3.499 -7.753 191 H VAL 537 HN VAL 537 -6.197 -4.535 -5.918 192 HA VAL 537 HA VAL 537 -6.867 -2.383 -4.238 193 HB VAL 537 HB VAL 537 -4.786 -4.526 -3.760 194 HG11 VAL 537 HG11 VAL 537 -4.717 -2.647 -2.172 195 HG12 VAL 537 HG12 VAL 537 -5.180 -4.172 -1.419 196 HG13 VAL 537 HG13 VAL 537 -6.408 -2.957 -1.774 197 HG21 VAL 537 HG21 VAL 537 -6.885 -5.543 -4.396 198 HG22 VAL 537 HG22 VAL 537 -7.750 -4.549 -3.220 199 HG23 VAL 537 HG23 VAL 537 -6.605 -5.774 -2.669 200 H ILE 538 HN ILE 538 -3.794 -3.368 -5.687 201 HA ILE 538 HA ILE 538 -2.217 -1.290 -4.588 202 HB ILE 538 HB ILE 538 -1.801 -2.929 -7.094 203 HG12 ILE 538 HG12 ILE 538 -0.611 -3.307 -4.340 204 HG13 ILE 538 HG13 ILE 538 -2.026 -4.180 -4.919 205 HG21 ILE 538 HG21 ILE 538 0.165 -1.267 -5.519 206 HG22 ILE 538 HG22 ILE 538 -0.440 -0.911 -7.136 207 HG23 ILE 538 HG23 ILE 538 0.571 -2.331 -6.865 208 HD11 ILE 538 HD11 ILE 538 0.734 -4.288 -6.107 209 HD12 ILE 538 HD12 ILE 538 -0.682 -5.145 -6.715 210 HD13 ILE 538 HD13 ILE 538 -0.035 -5.531 -5.120 211 H ASN 539 HN ASN 539 -3.872 -1.685 -7.687 212 HA ASN 539 HA ASN 539 -2.909 0.679 -8.873 213 HB2 ASN 539 HB2 ASN 539 -5.288 -1.056 -9.513 214 HB3 ASN 539 HB3 ASN 539 -4.866 0.365 -10.465 215 HD21 ASN 539 HD21 ASN 539 -4.935 -2.396 -11.323 216 HD22 ASN 539 HD22 ASN 539 -3.336 -2.782 -11.858 217 H LEU 540 HN LEU 540 -5.588 0.101 -6.715 218 HA LEU 540 HA LEU 540 -6.852 2.613 -7.233 219 HB2 LEU 540 HB2 LEU 540 -7.101 0.692 -4.928 220 HB3 LEU 540 HB1 LEU 540 -8.046 2.162 -5.072 221 HG LEU 540 HG LEU 540 -8.109 -0.182 -6.970 222 HD11 LEU 540 HD11 LEU 540 -10.127 0.869 -4.999 223 HD12 LEU 540 HD12 LEU 540 -9.204 -0.631 -4.858 224 HD13 LEU 540 HD13 LEU 540 -10.397 -0.445 -6.145 225 HD21 LEU 540 HD21 LEU 540 -9.611 2.432 -7.020 226 HD22 LEU 540 HD22 LEU 540 -10.000 1.029 -8.014 227 HD23 LEU 540 HD23 LEU 540 -8.454 1.851 -8.218 228 H GLY 541 HN GLY 541 -4.302 1.553 -5.078 229 HA2 GLY 541 HA2 GLY 541 -4.386 3.959 -3.485 230 HA3 GLY 541 HA1 GLY 541 -3.145 2.715 -3.430 231 H LEU 542 HN LEU 542 -2.473 2.739 -6.150 232 HA LEU 542 HA LEU 542 -0.324 4.404 -6.193 233 HB2 LEU 542 HB2 LEU 542 -1.868 3.263 -8.491 234 HB3 LEU 542 HB1 LEU 542 -0.364 4.124 -8.707 235 HG LEU 542 HG LEU 542 -0.654 1.620 -7.047 236 HD11 LEU 542 HD11 LEU 542 0.447 1.946 -9.832 237 HD12 LEU 542 HD12 LEU 542 -1.100 1.203 -9.430 238 HD13 LEU 542 HD13 LEU 542 0.403 0.459 -8.886 239 HD21 LEU 542 HD21 LEU 542 1.192 3.068 -6.388 240 HD22 LEU 542 HD22 LEU 542 1.768 3.101 -8.054 241 HD23 LEU 542 HD23 LEU 542 1.778 1.588 -7.145 242 HA PRO 543 HA PRO 543 -2.789 7.434 -9.281 243 HB2 PRO 543 HB2 PRO 543 -5.181 7.592 -7.470 244 HB3 PRO 543 HB3 PRO 543 -5.079 7.842 -9.224 245 HG2 PRO 543 HG2 PRO 543 -6.001 5.568 -8.309 246 HG3 PRO 543 HG3 PRO 543 -4.829 5.553 -9.644 247 HD2 PRO 543 HD2 PRO 543 -4.408 4.949 -6.747 248 HD3 PRO 543 HD3 PRO 543 -3.711 4.161 -8.176 249 H PHE 544 HN PHE 544 -3.207 7.622 -5.733 250 HA PHE 544 HA PHE 544 -2.319 10.410 -5.970 251 HB2 PHE 544 HB2 PHE 544 -4.032 9.114 -3.869 252 HB3 PHE 544 HB1 PHE 544 -3.340 10.727 -3.689 253 HD1 PHE 544 HD1 PHE 544 -5.702 8.671 -5.607 254 HD2 PHE 544 HD2 PHE 544 -4.191 12.588 -4.927 255 HE1 PHE 544 HE1 PHE 544 -7.546 9.606 -6.934 256 HE2 PHE 544 HE2 PHE 544 -6.038 13.532 -6.247 257 HZ PHE 544 HZ PHE 544 -7.716 12.040 -7.256 258 H GLY 545 HN GLY 545 -1.410 7.357 -4.755 259 HA2 GLY 545 HA2 GLY 545 1.136 8.528 -3.972 260 HA3 GLY 545 HA1 GLY 545 0.268 7.644 -2.722 261 H LYS 546 HN LYS 546 2.866 7.182 -4.252 262 HA LYS 546 HA LYS 546 2.506 4.868 -5.857 263 HB2 LYS 546 HB2 LYS 546 4.452 6.338 -6.100 264 HB3 LYS 546 HB3 LYS 546 4.995 5.897 -4.488 265 HG2 LYS 546 HG2 LYS 546 5.170 3.539 -5.259 266 HG3 LYS 546 HG3 LYS 546 4.787 4.094 -6.887 267 HD2 LYS 546 HD2 LYS 546 7.082 5.240 -5.327 268 HD3 LYS 546 HD3 LYS 546 7.253 3.763 -6.274 269 HE2 LYS 546 HE2 LYS 546 7.992 5.537 -7.651 270 HE3 LYS 546 HE3 LYS 546 6.408 5.063 -8.253 271 HZ1 LYS 546 HZ1 LYS 546 5.421 6.979 -7.336 272 HZ2 LYS 546 HZ2 LYS 546 6.858 7.521 -8.056 273 HZ3 LYS 546 HZ3 LYS 546 6.777 7.324 -6.383 274 H VAL 547 HN VAL 547 2.735 2.759 -5.412 275 HA VAL 547 HA VAL 547 2.775 1.923 -2.609 276 HB VAL 547 HB VAL 547 1.772 0.481 -5.074 277 HG11 VAL 547 HG11 VAL 547 2.632 -1.085 -3.428 278 HG12 VAL 547 HG12 VAL 547 0.873 -1.177 -3.509 279 HG13 VAL 547 HG13 VAL 547 1.649 -0.328 -2.173 280 HG21 VAL 547 HG21 VAL 547 -0.451 0.825 -4.152 281 HG22 VAL 547 HG22 VAL 547 0.358 2.369 -4.423 282 HG23 VAL 547 HG23 VAL 547 0.236 1.711 -2.792 283 H THR 548 HN THR 548 4.371 0.561 -1.915 284 HA THR 548 HA THR 548 6.334 -0.270 -3.941 285 HB THR 548 HB THR 548 7.959 -0.488 -2.132 286 HG1 THR 548 HG1 THR 548 6.339 0.769 -0.262 287 HG21 THR 548 HG21 THR 548 7.759 1.701 -3.195 288 HG22 THR 548 HG22 THR 548 8.170 1.860 -1.485 289 HG23 THR 548 HG23 THR 548 6.520 2.160 -2.026 290 H ASN 549 HN ASN 549 4.336 -1.398 -1.288 291 HA ASN 549 HA ASN 549 4.789 -4.172 -2.044 292 HB2 ASN 549 HB2 ASN 549 5.504 -3.014 0.656 293 HB3 ASN 549 HB3 ASN 549 5.172 -4.726 0.433 294 HD21 ASN 549 HD21 ASN 549 7.625 -3.234 1.215 295 HD22 ASN 549 HD22 ASN 549 8.847 -3.782 0.121 296 H TYR 550 HN TYR 550 3.307 -5.642 -0.757 297 HA TYR 550 HA TYR 550 1.029 -4.315 0.450 298 HB2 TYR 550 HB2 TYR 550 -0.619 -5.310 -1.031 299 HB3 TYR 550 HB3 TYR 550 0.500 -4.329 -1.968 300 HD1 TYR 550 HD1 TYR 550 -0.792 -7.670 -1.380 301 HD2 TYR 550 HD2 TYR 550 2.185 -5.424 -3.425 302 HE1 TYR 550 HE1 TYR 550 -0.376 -9.587 -2.859 303 HE2 TYR 550 HE2 TYR 550 2.612 -7.338 -4.911 304 HH TYR 550 HH TYR 550 0.540 -10.138 -4.944 305 H ILE 551 HN ILE 551 -0.257 -5.668 1.717 306 HA ILE 551 HA ILE 551 0.497 -8.507 1.852 307 HB ILE 551 HB ILE 551 0.053 -6.690 4.238 308 HG12 ILE 551 HG12 ILE 551 2.386 -8.392 3.339 309 HG13 ILE 551 HG13 ILE 551 2.329 -6.635 3.409 310 HG21 ILE 551 HG21 ILE 551 0.318 -9.697 4.195 311 HG22 ILE 551 HG22 ILE 551 -1.158 -8.796 4.544 312 HG23 ILE 551 HG23 ILE 551 0.223 -8.683 5.635 313 HD11 ILE 551 HD11 ILE 551 2.135 -6.763 5.853 314 HD12 ILE 551 HD12 ILE 551 3.610 -7.516 5.252 315 HD13 ILE 551 HD13 ILE 551 2.249 -8.519 5.753 316 H LEU 552 HN LEU 552 -1.205 -9.804 1.651 317 HA LEU 552 HA LEU 552 -3.863 -8.555 1.783 318 HB2 LEU 552 HB2 LEU 552 -2.733 -10.700 0.011 319 HB3 LEU 552 HB1 LEU 552 -4.462 -10.457 0.179 320 HG LEU 552 HG LEU 552 -2.578 -8.274 -0.707 321 HD11 LEU 552 HD11 LEU 552 -2.522 -10.147 -2.306 322 HD12 LEU 552 HD12 LEU 552 -3.328 -8.730 -2.979 323 HD13 LEU 552 HD13 LEU 552 -4.280 -10.099 -2.406 324 HD21 LEU 552 HD21 LEU 552 -5.567 -8.615 -0.778 325 HD22 LEU 552 HD22 LEU 552 -4.682 -7.304 -1.567 326 HD23 LEU 552 HD23 LEU 552 -4.643 -7.461 0.189 327 H MET 553 HN MET 553 -4.889 -9.128 3.581 328 HA MET 553 HA MET 553 -4.674 -11.929 4.447 329 HB2 MET 553 HB2 MET 553 -5.526 -9.478 6.000 330 HB3 MET 553 HB3 MET 553 -5.565 -11.122 6.628 331 HG2 MET 553 HG2 MET 553 -3.136 -11.284 6.285 332 HG3 MET 553 HG3 MET 553 -3.123 -9.609 5.739 333 HE1 MET 553 HE1 MET 553 -1.245 -9.087 7.490 334 HE2 MET 553 HE2 MET 553 -1.274 -10.743 8.096 335 HE3 MET 553 HE3 MET 553 -1.388 -9.389 9.221 336 H LYS 554 HN LYS 554 -6.120 -12.711 2.967 337 HA LYS 554 HA LYS 554 -8.703 -11.644 2.512 338 HB2 LYS 554 HB2 LYS 554 -7.565 -14.396 1.992 339 HB3 LYS 554 HB3 LYS 554 -9.116 -13.830 1.390 340 HG2 LYS 554 HG2 LYS 554 -6.547 -12.400 0.765 341 HG3 LYS 554 HG3 LYS 554 -7.147 -13.743 -0.214 342 HD2 LYS 554 HD2 LYS 554 -9.262 -12.479 -0.539 343 HD3 LYS 554 HD3 LYS 554 -8.539 -11.125 0.332 344 HE2 LYS 554 HE2 LYS 554 -6.837 -10.874 -1.327 345 HE3 LYS 554 HE3 LYS 554 -7.329 -12.363 -2.130 346 HZ1 LYS 554 HZ1 LYS 554 -8.966 -9.897 -1.929 347 HZ2 LYS 554 HZ2 LYS 554 -9.415 -11.323 -2.722 348 HZ3 LYS 554 HZ3 LYS 554 -8.117 -10.407 -3.298 349 H SER 555 HN SER 555 -7.365 -13.874 4.799 350 HA SER 555 HA SER 555 -9.663 -15.159 5.709 351 HB2 SER 555 HB2 SER 555 -8.335 -15.537 7.790 352 HB3 SER 555 HB3 SER 555 -7.455 -15.933 6.315 353 HG SER 555 HG SER 555 -6.005 -14.577 6.969 354 H THR 556 HN THR 556 -8.318 -12.009 6.557 355 HA THR 556 HA THR 556 -10.529 -11.590 8.430 356 HB THR 556 HB THR 556 -9.320 -9.531 9.098 357 HG1 THR 556 HG1 THR 556 -8.190 -9.233 7.077 358 HG21 THR 556 HG21 THR 556 -7.449 -10.651 10.227 359 HG22 THR 556 HG22 THR 556 -7.654 -12.048 9.173 360 HG23 THR 556 HG23 THR 556 -8.926 -11.612 10.313 361 H ASN 557 HN ASN 557 -10.188 -11.365 5.274 362 HA ASN 557 HA ASN 557 -11.083 -10.162 3.558 363 HB2 ASN 557 HB2 ASN 557 -13.129 -10.596 5.023 364 HB3 ASN 557 HB3 ASN 557 -12.919 -8.958 5.626 365 HD21 ASN 557 HD21 ASN 557 -13.735 -10.911 2.890 366 HD22 ASN 557 HD22 ASN 557 -14.458 -9.658 1.943 367 H GLN 558 HN GLN 558 -8.793 -9.051 4.585 368 HA GLN 558 HA GLN 558 -9.309 -6.173 4.367 369 HB2 GLN 558 HB2 GLN 558 -7.659 -7.491 6.533 370 HB3 GLN 558 HB3 GLN 558 -7.720 -5.760 6.237 371 HG2 GLN 558 HG2 GLN 558 -10.219 -7.317 6.807 372 HG3 GLN 558 HG3 GLN 558 -9.169 -6.750 8.112 373 HE21 GLN 558 HE21 GLN 558 -8.980 -4.551 8.496 374 HE22 GLN 558 HE22 GLN 558 -10.122 -3.409 7.876 375 H ALA 559 HN ALA 559 -7.557 -4.961 3.573 376 HA ALA 559 HA ALA 559 -5.240 -6.526 2.652 377 HB1 ALA 559 HB1 ALA 559 -6.706 -4.425 1.057 378 HB2 ALA 559 HB2 ALA 559 -6.737 -6.162 0.757 379 HB3 ALA 559 HB3 ALA 559 -5.234 -5.260 0.561 380 H PHE 560 HN PHE 560 -3.283 -5.492 2.706 381 HA PHE 560 HA PHE 560 -3.267 -2.782 3.850 382 HB2 PHE 560 HB2 PHE 560 -1.302 -5.012 4.421 383 HB3 PHE 560 HB1 PHE 560 -1.263 -3.393 5.111 384 HD1 PHE 560 HD1 PHE 560 -2.537 -6.711 5.437 385 HD2 PHE 560 HD2 PHE 560 -3.223 -2.660 6.542 386 HE1 PHE 560 HE1 PHE 560 -3.999 -7.462 7.265 387 HE2 PHE 560 HE2 PHE 560 -4.682 -3.404 8.376 388 HZ PHE 560 HZ PHE 560 -5.073 -5.807 8.739 389 H LEU 561 HN LEU 561 -1.975 -1.324 2.879 390 HA LEU 561 HA LEU 561 -0.415 -2.268 0.563 391 HB2 LEU 561 HB2 LEU 561 -2.769 -1.279 0.177 392 HB3 LEU 561 HB1 LEU 561 -2.044 0.255 0.599 393 HG LEU 561 HG LEU 561 -0.447 -0.035 -1.290 394 HD11 LEU 561 HD11 LEU 561 -0.495 -2.458 -1.449 395 HD12 LEU 561 HD12 LEU 561 -0.974 -1.734 -2.982 396 HD13 LEU 561 HD13 LEU 561 -2.196 -2.413 -1.910 397 HD21 LEU 561 HD21 LEU 561 -2.443 1.316 -1.563 398 HD22 LEU 561 HD22 LEU 561 -3.387 -0.121 -1.962 399 HD23 LEU 561 HD23 LEU 561 -2.110 0.424 -3.048 400 H GLU 562 HN GLU 562 1.561 -1.331 0.311 401 HA GLU 562 HA GLU 562 2.433 0.526 2.423 402 HB2 GLU 562 HB2 GLU 562 3.677 -1.549 2.308 403 HB3 GLU 562 HB3 GLU 562 3.961 -1.320 0.589 404 HG2 GLU 562 HG2 GLU 562 5.971 -0.787 1.695 405 HG3 GLU 562 HG3 GLU 562 5.256 0.735 1.166 406 H MET 563 HN MET 563 3.382 2.473 1.956 407 HA MET 563 HA MET 563 3.361 3.232 -0.890 408 HB2 MET 563 HB2 MET 563 2.689 4.830 1.562 409 HB3 MET 563 HB3 MET 563 3.063 5.597 0.023 410 HG2 MET 563 HG2 MET 563 0.713 5.440 0.167 411 HG3 MET 563 HG3 MET 563 1.238 4.232 -1.002 412 HE1 MET 563 HE1 MET 563 -0.579 2.506 -1.074 413 HE2 MET 563 HE2 MET 563 -1.551 3.759 -0.302 414 HE3 MET 563 HE3 MET 563 -1.601 2.105 0.305 415 H ALA 564 HN ALA 564 5.009 4.289 -1.765 416 HA ALA 564 HA ALA 564 7.592 3.842 -0.737 417 HB1 ALA 564 HB1 ALA 564 6.755 5.706 -2.956 418 HB2 ALA 564 HB2 ALA 564 7.092 3.984 -3.134 419 HB3 ALA 564 HB3 ALA 564 8.383 5.093 -2.669 420 H TYR 565 HN TYR 565 5.437 6.542 -0.543 421 HA TYR 565 HA TYR 565 7.433 8.036 1.009 422 HB2 TYR 565 HB2 TYR 565 5.456 9.339 -0.876 423 HB3 TYR 565 HB3 TYR 565 6.825 10.090 -0.062 424 HD1 TYR 565 HD1 TYR 565 5.691 8.775 -3.099 425 HD2 TYR 565 HD2 TYR 565 9.168 8.991 -0.664 426 HE1 TYR 565 HE1 TYR 565 7.092 8.287 -5.059 427 HE2 TYR 565 HE2 TYR 565 10.577 8.513 -2.617 428 HH TYR 565 HH TYR 565 9.537 8.732 -5.737 429 H THR 566 HN THR 566 6.599 9.034 2.801 430 HA THR 566 HA THR 566 4.177 8.017 3.828 431 HB THR 566 HB THR 566 5.994 8.628 5.325 432 HG1 THR 566 HG1 THR 566 4.624 9.169 6.844 433 HG21 THR 566 HG21 THR 566 6.462 11.007 5.827 434 HG22 THR 566 HG22 THR 566 5.450 11.464 4.456 435 HG23 THR 566 HG23 THR 566 6.926 10.534 4.194 436 H GLU 567 HN GLU 567 5.006 11.008 2.166 437 HA GLU 567 HA GLU 567 2.537 12.325 2.581 438 HB2 GLU 567 HB2 GLU 567 3.159 13.760 0.727 439 HB3 GLU 567 HB3 GLU 567 4.559 13.484 1.751 440 HG2 GLU 567 HG2 GLU 567 5.477 11.921 0.184 441 HG3 GLU 567 HG3 GLU 567 4.014 11.978 -0.797 442 H ALA 568 HN ALA 568 3.607 9.925 0.302 443 HA ALA 568 HA ALA 568 1.516 10.131 -1.560 444 HB1 ALA 568 HB1 ALA 568 2.187 7.872 -2.250 445 HB2 ALA 568 HB2 ALA 568 3.179 7.730 -0.800 446 HB3 ALA 568 HB3 ALA 568 3.582 8.927 -2.031 447 H ALA 569 HN ALA 569 1.922 8.151 1.337 448 HA ALA 569 HA ALA 569 -0.536 6.768 1.110 449 HB1 ALA 569 HB1 ALA 569 1.426 6.035 2.462 450 HB2 ALA 569 HB2 ALA 569 -0.111 5.973 3.317 451 HB3 ALA 569 HB3 ALA 569 1.019 7.289 3.634 452 H GLN 570 HN GLN 570 0.439 9.643 2.948 453 HA GLN 570 HA GLN 570 -2.016 10.020 4.285 454 HB2 GLN 570 HB2 GLN 570 0.081 12.060 3.507 455 HB3 GLN 570 HB3 GLN 570 -1.210 12.329 4.668 456 HG2 GLN 570 HG2 GLN 570 -0.283 10.660 6.142 457 HG3 GLN 570 HG3 GLN 570 0.960 10.264 4.955 458 HE21 GLN 570 HE21 GLN 570 2.666 10.790 6.291 459 HE22 GLN 570 HE22 GLN 570 3.025 12.416 6.754 460 H ALA 571 HN ALA 571 -0.720 11.402 1.279 461 HA ALA 571 HA ALA 571 -2.814 13.211 0.806 462 HB1 ALA 571 HB1 ALA 571 -1.005 11.910 -1.224 463 HB2 ALA 571 HB2 ALA 571 -0.619 13.349 -0.281 464 HB3 ALA 571 HB3 ALA 571 -1.941 13.389 -1.446 465 H MET 572 HN MET 572 -2.323 9.879 -0.312 466 HA MET 572 HA MET 572 -4.530 9.880 -2.066 467 HB2 MET 572 HB2 MET 572 -4.194 7.563 -2.323 468 HB3 MET 572 HB3 MET 572 -2.595 8.228 -2.048 469 HG2 MET 572 HG2 MET 572 -2.536 7.407 0.173 470 HG3 MET 572 HG3 MET 572 -4.250 6.997 0.135 471 HE1 MET 572 HE1 MET 572 -0.695 6.189 -1.158 472 HE2 MET 572 HE2 MET 572 -1.558 6.392 -2.682 473 HE3 MET 572 HE3 MET 572 -0.964 4.800 -2.209 474 H VAL 573 HN VAL 573 -4.172 8.880 1.305 475 HA VAL 573 HA VAL 573 -6.740 7.725 1.491 476 HB VAL 573 HB VAL 573 -4.803 8.631 3.606 477 HG11 VAL 573 HG11 VAL 573 -7.548 7.453 3.867 478 HG12 VAL 573 HG12 VAL 573 -6.874 8.858 4.692 479 HG13 VAL 573 HG13 VAL 573 -6.326 7.237 5.116 480 HG21 VAL 573 HG21 VAL 573 -5.704 5.937 2.588 481 HG22 VAL 573 HG22 VAL 573 -4.606 6.186 3.946 482 HG23 VAL 573 HG23 VAL 573 -4.129 6.692 2.324 483 H GLN 574 HN GLN 574 -5.531 10.971 2.222 484 HA GLN 574 HA GLN 574 -7.882 11.935 3.409 485 HB2 GLN 574 HB2 GLN 574 -5.912 13.465 1.697 486 HB3 GLN 574 HB3 GLN 574 -7.101 14.182 2.775 487 HG2 GLN 574 HG2 GLN 574 -4.764 12.466 3.580 488 HG3 GLN 574 HG3 GLN 574 -4.902 14.209 3.779 489 HE21 GLN 574 HE21 GLN 574 -7.710 14.068 4.579 490 HE22 GLN 574 HE22 GLN 574 -7.710 13.462 6.198 491 H TYR 575 HN TYR 575 -6.919 11.609 0.040 492 HA TYR 575 HA TYR 575 -9.291 12.745 -1.038 493 HB2 TYR 575 HB2 TYR 575 -7.164 12.415 -2.328 494 HB3 TYR 575 HB3 TYR 575 -7.509 10.688 -2.345 495 HD1 TYR 575 HD1 TYR 575 -8.465 13.962 -3.701 496 HD2 TYR 575 HD2 TYR 575 -9.316 9.794 -3.698 497 HE1 TYR 575 HE1 TYR 575 -9.836 14.245 -5.724 498 HE2 TYR 575 HE2 TYR 575 -10.687 10.066 -5.719 499 HH TYR 575 HH TYR 575 -11.969 11.887 -6.843 500 H TYR 576 HN TYR 576 -8.328 9.386 -0.320 501 HA TYR 576 HA TYR 576 -10.725 8.329 -1.475 502 HB2 TYR 576 HB2 TYR 576 -8.716 6.948 0.299 503 HB3 TYR 576 HB3 TYR 576 -9.974 6.157 -0.647 504 HD1 TYR 576 HD1 TYR 576 -6.800 6.020 -0.644 505 HD2 TYR 576 HD2 TYR 576 -9.713 7.803 -3.173 506 HE1 TYR 576 HE1 TYR 576 -5.237 5.888 -2.519 507 HE2 TYR 576 HE2 TYR 576 -8.151 7.679 -5.069 508 HH TYR 576 HH TYR 576 -5.457 5.793 -5.100 509 H GLN 577 HN GLN 577 -9.979 9.506 1.680 510 HA GLN 577 HA GLN 577 -12.191 8.124 2.887 511 HB2 GLN 577 HB2 GLN 577 -10.388 10.341 3.819 512 HB3 GLN 577 HB3 GLN 577 -11.818 9.878 4.741 513 HG2 GLN 577 HG2 GLN 577 -10.933 7.580 4.858 514 HG3 GLN 577 HG3 GLN 577 -9.487 8.125 4.010 515 HE21 GLN 577 HE21 GLN 577 -9.812 6.984 6.681 516 HE22 GLN 577 HE22 GLN 577 -9.129 8.125 7.777 517 H GLU 578 HN GLU 578 -11.743 11.007 1.075 518 HA GLU 578 HA GLU 578 -14.426 11.971 1.727 519 HB2 GLU 578 HB2 GLU 578 -12.119 13.164 0.198 520 HB3 GLU 578 HB3 GLU 578 -13.726 13.884 0.172 521 HG2 GLU 578 HG2 GLU 578 -12.074 13.412 2.642 522 HG3 GLU 578 HG3 GLU 578 -12.220 14.949 1.791 523 H LYS 579 HN LYS 579 -12.496 10.841 -0.993 524 HA LYS 579 HA LYS 579 -14.998 10.076 -2.352 525 HB2 LYS 579 HB2 LYS 579 -12.507 11.236 -3.611 526 HB3 LYS 579 HB3 LYS 579 -13.777 10.437 -4.523 527 HG2 LYS 579 HG2 LYS 579 -15.377 12.136 -3.725 528 HG3 LYS 579 HG3 LYS 579 -14.051 12.957 -2.899 529 HD2 LYS 579 HD2 LYS 579 -14.508 14.008 -5.051 530 HD3 LYS 579 HD3 LYS 579 -12.907 13.265 -5.048 531 HE2 LYS 579 HE2 LYS 579 -13.848 11.302 -6.210 532 HE3 LYS 579 HE3 LYS 579 -15.416 12.102 -6.260 533 HZ1 LYS 579 HZ1 LYS 579 -14.437 13.854 -7.599 534 HZ2 LYS 579 HZ2 LYS 579 -14.214 12.350 -8.339 535 HZ3 LYS 579 HZ3 LYS 579 -12.927 13.094 -7.536 536 HA PRO 580 HA PRO 580 -12.318 6.442 -1.504 537 HB2 PRO 580 HB2 PRO 580 -14.904 5.074 -1.192 538 HB3 PRO 580 HB3 PRO 580 -13.565 5.230 -0.043 539 HG2 PRO 580 HG2 PRO 580 -15.872 6.546 0.343 540 HG3 PRO 580 HG3 PRO 580 -14.310 7.293 0.750 541 HD2 PRO 580 HD2 PRO 580 -15.995 7.674 -1.711 542 HD3 PRO 580 HD3 PRO 580 -15.235 8.900 -0.667 543 H ALA 581 HN ALA 581 -12.110 4.365 -2.586 544 HA ALA 581 HA ALA 581 -12.893 4.657 -5.386 545 HB1 ALA 581 HB1 ALA 581 -10.880 2.790 -4.129 546 HB2 ALA 581 HB2 ALA 581 -10.513 4.349 -4.871 547 HB3 ALA 581 HB3 ALA 581 -11.143 3.029 -5.855 548 H ILE 582 HN ILE 582 -13.768 2.902 -6.584 549 HA ILE 582 HA ILE 582 -15.320 1.067 -4.882 550 HB ILE 582 HB ILE 582 -16.266 2.487 -7.378 551 HG12 ILE 582 HG12 ILE 582 -17.015 2.878 -4.475 552 HG13 ILE 582 HG13 ILE 582 -16.077 3.989 -5.447 553 HG21 ILE 582 HG21 ILE 582 -17.257 0.279 -7.158 554 HG22 ILE 582 HG22 ILE 582 -18.456 1.531 -6.838 555 HG23 ILE 582 HG23 ILE 582 -17.733 0.641 -5.499 556 HD11 ILE 582 HD11 ILE 582 -18.012 4.352 -6.892 557 HD12 ILE 582 HD12 ILE 582 -18.357 4.753 -5.211 558 HD13 ILE 582 HD13 ILE 582 -18.953 3.243 -5.894 559 H ILE 583 HN ILE 583 -15.240 -1.027 -5.399 560 HA ILE 583 HA ILE 583 -14.456 -1.763 -8.151 561 HB ILE 583 HB ILE 583 -13.912 -3.293 -5.601 562 HG12 ILE 583 HG12 ILE 583 -12.050 -2.004 -7.607 563 HG13 ILE 583 HG13 ILE 583 -12.339 -1.465 -5.955 564 HG21 ILE 583 HG21 ILE 583 -12.788 -4.946 -7.042 565 HG22 ILE 583 HG22 ILE 583 -13.367 -4.077 -8.464 566 HG23 ILE 583 HG23 ILE 583 -14.518 -4.837 -7.364 567 HD11 ILE 583 HD11 ILE 583 -11.417 -3.620 -5.152 568 HD12 ILE 583 HD12 ILE 583 -10.255 -2.635 -6.040 569 HD13 ILE 583 HD13 ILE 583 -11.015 -4.023 -6.819 570 H ASN 584 HN ASN 584 -16.150 -2.493 -9.232 571 HA ASN 584 HA ASN 584 -18.004 -3.651 -9.829 572 HB2 ASN 584 HB2 ASN 584 -17.187 -5.401 -7.500 573 HB3 ASN 584 HB3 ASN 584 -18.450 -5.815 -8.654 574 HD21 ASN 584 HD21 ASN 584 -15.992 -7.212 -8.065 575 HD22 ASN 584 HD22 ASN 584 -15.114 -7.307 -9.549 576 H GLY 585 HN GLY 585 -18.385 -1.405 -8.176 577 HA2 GLY 585 HA2 GLY 585 -20.340 -0.421 -7.377 578 HA3 GLY 585 HA1 GLY 585 -21.064 -2.017 -7.259 579 H GLU 586 HN GLU 586 -18.142 -2.275 -5.789 580 HA GLU 586 HA GLU 586 -19.359 -1.888 -3.147 581 HB2 GLU 586 HB2 GLU 586 -16.813 -3.351 -3.900 582 HB3 GLU 586 HB3 GLU 586 -17.592 -3.355 -2.322 583 HG2 GLU 586 HG2 GLU 586 -18.894 -4.413 -4.815 584 HG3 GLU 586 HG3 GLU 586 -17.945 -5.406 -3.712 585 H LYS 587 HN LYS 587 -18.720 -0.255 -1.898 586 HA LYS 587 HA LYS 587 -16.660 1.520 -2.901 587 HB2 LYS 587 HB2 LYS 587 -18.526 1.791 -0.540 588 HB3 LYS 587 HB3 LYS 587 -17.423 3.037 -1.103 589 HG2 LYS 587 HG2 LYS 587 -18.616 3.128 -3.236 590 HG3 LYS 587 HG3 LYS 587 -19.731 1.886 -2.656 591 HD2 LYS 587 HD2 LYS 587 -20.448 3.355 -0.849 592 HD3 LYS 587 HD3 LYS 587 -19.302 4.588 -1.379 593 HE2 LYS 587 HE2 LYS 587 -20.482 4.727 -3.531 594 HE3 LYS 587 HE3 LYS 587 -21.648 3.538 -2.955 595 HZ1 LYS 587 HZ1 LYS 587 -21.164 6.208 -1.754 596 HZ2 LYS 587 HZ2 LYS 587 -22.281 5.071 -1.195 597 HZ3 LYS 587 HZ3 LYS 587 -22.489 5.783 -2.713 598 H LEU 588 HN LEU 588 -14.639 1.071 -2.392 599 HA LEU 588 HA LEU 588 -13.982 -0.279 0.090 600 HB2 LEU 588 HB2 LEU 588 -12.057 0.900 -1.905 601 HB3 LEU 588 HB1 LEU 588 -11.734 -0.323 -0.695 602 HG LEU 588 HG LEU 588 -13.320 -0.662 -3.229 603 HD11 LEU 588 HD11 LEU 588 -10.720 -1.792 -2.217 604 HD12 LEU 588 HD12 LEU 588 -10.941 -0.659 -3.548 605 HD13 LEU 588 HD13 LEU 588 -11.536 -2.312 -3.691 606 HD21 LEU 588 HD21 LEU 588 -14.416 -1.924 -1.470 607 HD22 LEU 588 HD22 LEU 588 -12.872 -2.616 -0.973 608 HD23 LEU 588 HD23 LEU 588 -13.552 -3.020 -2.549 609 H LEU 589 HN LEU 589 -13.650 0.854 1.915 610 HA LEU 589 HA LEU 589 -12.918 3.642 1.712 611 HB2 LEU 589 HB2 LEU 589 -14.405 2.847 3.536 612 HB3 LEU 589 HB1 LEU 589 -13.089 1.868 4.158 613 HG LEU 589 HG LEU 589 -11.790 3.886 4.643 614 HD11 LEU 589 HD11 LEU 589 -14.207 5.370 3.620 615 HD12 LEU 589 HD12 LEU 589 -12.611 5.330 2.872 616 HD13 LEU 589 HD13 LEU 589 -12.829 6.099 4.444 617 HD21 LEU 589 HD21 LEU 589 -14.594 3.994 5.746 618 HD22 LEU 589 HD22 LEU 589 -13.167 4.744 6.464 619 HD23 LEU 589 HD23 LEU 589 -13.281 2.987 6.355 620 H ILE 590 HN ILE 590 -10.952 3.998 1.014 621 HA ILE 590 HA ILE 590 -8.739 2.289 1.868 622 HB ILE 590 HB ILE 590 -8.749 4.633 -0.052 623 HG12 ILE 590 HG12 ILE 590 -8.799 1.675 -0.660 624 HG13 ILE 590 HG13 ILE 590 -10.116 2.806 -0.924 625 HG21 ILE 590 HG21 ILE 590 -6.650 2.545 0.487 626 HG22 ILE 590 HG22 ILE 590 -6.564 4.257 0.905 627 HG23 ILE 590 HG23 ILE 590 -6.573 3.760 -0.788 628 HD11 ILE 590 HD11 ILE 590 -7.438 2.865 -2.305 629 HD12 ILE 590 HD12 ILE 590 -8.753 4.010 -2.568 630 HD13 ILE 590 HD13 ILE 590 -8.959 2.314 -3.003 631 H ARG 591 HN ARG 591 -7.663 2.859 3.669 632 HA ARG 591 HA ARG 591 -7.472 5.667 4.407 633 HB2 ARG 591 HB2 ARG 591 -8.546 5.359 6.569 634 HB3 ARG 591 HB3 ARG 591 -9.660 4.979 5.264 635 HG2 ARG 591 HG2 ARG 591 -9.157 2.580 5.599 636 HG3 ARG 591 HG3 ARG 591 -8.166 3.023 6.991 637 HD2 ARG 591 HD2 ARG 591 -11.118 3.528 6.656 638 HD3 ARG 591 HD3 ARG 591 -10.372 2.324 7.700 639 HE ARG 591 HE ARG 591 -9.408 4.900 8.345 640 HH11 ARG 591 HH11 ARG 591 -12.211 2.829 8.679 641 HH12 ARG 591 HH12 ARG 591 -12.810 3.651 10.086 642 HH21 ARG 591 HH21 ARG 591 -10.193 5.984 10.200 643 HH22 ARG 591 HH22 ARG 591 -11.661 5.444 10.951 644 H MET 592 HN MET 592 -6.272 5.984 6.455 645 HA MET 592 HA MET 592 -3.766 4.722 6.244 646 HB2 MET 592 HB2 MET 592 -4.844 6.370 8.543 647 HB3 MET 592 HB3 MET 592 -3.153 6.045 8.206 648 HG2 MET 592 HG2 MET 592 -4.685 7.369 6.046 649 HG3 MET 592 HG3 MET 592 -4.407 8.304 7.513 650 HE1 MET 592 HE1 MET 592 -0.951 6.560 4.973 651 HE2 MET 592 HE2 MET 592 -2.653 6.320 4.582 652 HE3 MET 592 HE3 MET 592 -1.961 5.552 6.010 653 H SER 593 HN SER 593 -2.867 3.036 7.317 654 HA SER 593 HA SER 593 -4.561 1.465 9.077 655 HB2 SER 593 HB2 SER 593 -3.209 0.316 7.357 656 HB3 SER 593 HB3 SER 593 -1.739 0.950 8.093 657 HG SER 593 HG SER 593 -3.611 -0.794 9.336 658 H THR 594 HN THR 594 -4.419 1.446 11.230 659 HA THR 594 HA THR 594 -2.443 3.178 12.478 660 HB THR 594 HB THR 594 -3.812 2.685 14.563 661 HG1 THR 594 HG1 THR 594 -5.660 1.553 14.353 662 HG21 THR 594 HG21 THR 594 -5.187 3.950 12.190 663 HG22 THR 594 HG22 THR 594 -4.094 4.754 13.318 664 HG23 THR 594 HG23 THR 594 -5.662 4.169 13.874 665 H ARG 595 HN ARG 595 -3.061 -0.157 11.954 666 HA ARG 595 HA ARG 595 -1.646 -1.060 14.301 667 HB2 ARG 595 HB2 ARG 595 -2.603 -2.636 11.908 668 HB3 ARG 595 HB3 ARG 595 -2.000 -3.315 13.410 669 HG2 ARG 595 HG2 ARG 595 -3.924 -1.986 14.509 670 HG3 ARG 595 HG3 ARG 595 -4.583 -1.922 12.874 671 HD2 ARG 595 HD2 ARG 595 -4.105 -4.296 14.630 672 HD3 ARG 595 HD3 ARG 595 -5.568 -3.825 13.771 673 HE ARG 595 HE ARG 595 -3.244 -4.634 12.195 674 HH11 ARG 595 HH11 ARG 595 -6.456 -5.328 13.378 675 HH12 ARG 595 HH12 ARG 595 -6.673 -6.713 12.358 676 HH21 ARG 595 HH21 ARG 595 -3.521 -6.475 10.836 677 HH22 ARG 595 HH22 ARG 595 -5.018 -7.352 10.899 678 H TYR 596 HN TYR 596 -1.020 -0.793 10.834 679 HA TYR 596 HA TYR 596 1.697 -1.835 11.288 680 HB2 TYR 596 HB2 TYR 596 0.188 -1.538 8.676 681 HB3 TYR 596 HB3 TYR 596 1.770 -2.277 8.880 682 HD1 TYR 596 HD1 TYR 596 1.927 -4.587 9.205 683 HD2 TYR 596 HD2 TYR 596 -1.773 -2.629 9.951 684 HE1 TYR 596 HE1 TYR 596 0.841 -6.770 9.535 685 HE2 TYR 596 HE2 TYR 596 -2.862 -4.798 10.291 686 HH TYR 596 HH TYR 596 -1.112 -7.702 10.643 687 H LYS 597 HN LYS 597 3.402 -0.535 11.017 688 HA LYS 597 HA LYS 597 2.955 2.202 10.116 689 HB2 LYS 597 HB2 LYS 597 5.434 0.900 11.259 690 HB3 LYS 597 HB3 LYS 597 5.254 2.611 10.897 691 HG2 LYS 597 HG2 LYS 597 3.365 2.671 12.540 692 HG3 LYS 597 HG3 LYS 597 3.793 1.021 12.991 693 HD2 LYS 597 HD2 LYS 597 5.628 3.409 13.151 694 HD3 LYS 597 HD3 LYS 597 4.771 2.690 14.513 695 HE2 LYS 597 HE2 LYS 597 5.982 0.606 14.199 696 HE3 LYS 597 HE3 LYS 597 6.793 1.270 12.784 697 HZ1 LYS 597 HZ1 LYS 597 7.837 2.925 14.195 698 HZ2 LYS 597 HZ2 LYS 597 8.201 1.368 14.739 699 HZ3 LYS 597 HZ3 LYS 597 7.052 2.296 15.557 700 H GLU 598 HN GLU 598 4.414 -0.765 9.126 701 HA GLU 598 HA GLU 598 4.771 0.162 6.421 702 HB2 GLU 598 HB2 GLU 598 7.182 -0.401 6.327 703 HB3 GLU 598 HB3 GLU 598 6.860 0.971 7.378 704 HG2 GLU 598 HG2 GLU 598 6.980 -0.549 9.325 705 HG3 GLU 598 HG3 GLU 598 7.426 -1.858 8.233 706 H LEU 599 HN LEU 599 5.079 -1.596 4.975 707 HA LEU 599 HA LEU 599 4.250 -4.151 6.128 708 HB2 LEU 599 HB2 LEU 599 4.473 -3.263 3.256 709 HB3 LEU 599 HB1 LEU 599 3.977 -4.864 3.766 710 HG LEU 599 HG LEU 599 2.493 -2.302 4.369 711 HD11 LEU 599 HD11 LEU 599 1.843 -4.575 2.508 712 HD12 LEU 599 HD12 LEU 599 2.367 -2.964 2.019 713 HD13 LEU 599 HD13 LEU 599 0.820 -3.179 2.841 714 HD21 LEU 599 HD21 LEU 599 1.696 -5.158 4.868 715 HD22 LEU 599 HD22 LEU 599 0.751 -3.717 5.236 716 HD23 LEU 599 HD23 LEU 599 2.248 -4.036 6.114 717 H GLN 600 HN GLN 600 5.850 -5.290 6.889 718 HA GLN 600 HA GLN 600 8.472 -5.228 5.632 719 HB2 GLN 600 HB2 GLN 600 7.600 -6.719 8.114 720 HB3 GLN 600 HB3 GLN 600 9.249 -6.383 7.606 721 HG2 GLN 600 HG2 GLN 600 8.875 -3.998 7.943 722 HG3 GLN 600 HG3 GLN 600 7.216 -4.325 8.439 723 HE21 GLN 600 HE21 GLN 600 7.472 -3.473 10.472 724 HE22 GLN 600 HE22 GLN 600 8.425 -4.227 11.695 725 H LEU 601 HN LEU 601 8.027 -6.360 3.719 726 HA LEU 601 HA LEU 601 6.794 -8.937 3.765 727 HB2 LEU 601 HB2 LEU 601 8.378 -7.547 1.606 728 HB3 LEU 601 HB1 LEU 601 7.567 -9.085 1.397 729 HG LEU 601 HG LEU 601 6.298 -6.391 1.850 730 HD11 LEU 601 HD11 LEU 601 6.978 -6.862 -0.430 731 HD12 LEU 601 HD12 LEU 601 5.220 -6.884 -0.292 732 HD13 LEU 601 HD13 LEU 601 6.118 -8.400 -0.388 733 HD21 LEU 601 HD21 LEU 601 4.996 -9.110 1.830 734 HD22 LEU 601 HD22 LEU 601 4.138 -7.571 1.770 735 HD23 LEU 601 HD23 LEU 601 5.085 -7.997 3.195 736 H LYS 602 HN LYS 602 7.673 -10.788 4.231 737 HA LYS 602 HA LYS 602 10.592 -10.995 4.333 738 HB2 LYS 602 HB2 LYS 602 10.134 -13.100 5.664 739 HB3 LYS 602 HB3 LYS 602 9.683 -11.592 6.436 740 HG2 LYS 602 HG2 LYS 602 7.663 -13.201 4.927 741 HG3 LYS 602 HG3 LYS 602 8.091 -13.610 6.585 742 HD2 LYS 602 HD2 LYS 602 7.117 -10.893 5.708 743 HD3 LYS 602 HD3 LYS 602 6.074 -12.153 6.361 744 HE2 LYS 602 HE2 LYS 602 7.213 -12.094 8.461 745 HE3 LYS 602 HE3 LYS 602 8.453 -11.021 7.821 746 HZ1 LYS 602 HZ1 LYS 602 6.810 -9.839 9.161 747 HZ2 LYS 602 HZ2 LYS 602 5.584 -10.319 8.101 748 HZ3 LYS 602 HZ3 LYS 602 6.813 -9.293 7.559 749 H LYS 603 HN LYS 603 9.109 -11.000 1.934 750 HA LYS 603 HA LYS 603 9.772 -13.675 0.910 751 HB2 LYS 603 HB2 LYS 603 7.507 -11.900 -0.029 752 HB3 LYS 603 HB3 LYS 603 7.931 -13.469 -0.696 753 HG2 LYS 603 HG2 LYS 603 7.387 -14.485 1.501 754 HG3 LYS 603 HG3 LYS 603 6.825 -12.903 2.046 755 HD2 LYS 603 HD2 LYS 603 5.729 -14.488 -0.276 756 HD3 LYS 603 HD3 LYS 603 4.955 -14.269 1.292 757 HE2 LYS 603 HE2 LYS 603 4.792 -11.872 0.887 758 HE3 LYS 603 HE3 LYS 603 5.605 -12.068 -0.663 759 HZ1 LYS 603 HZ1 LYS 603 2.980 -13.232 0.081 760 HZ2 LYS 603 HZ2 LYS 603 3.765 -13.463 -1.397 761 HZ3 LYS 603 HZ3 LYS 603 3.228 -11.921 -0.959 762 HA PRO 604 HA PRO 604 12.327 -11.463 -2.014 763 HB2 PRO 604 HB2 PRO 604 11.476 -13.473 -4.007 764 HB3 PRO 604 HB3 PRO 604 13.097 -13.083 -3.432 765 HG2 PRO 604 HG2 PRO 604 11.879 -15.357 -2.725 766 HG3 PRO 604 HG3 PRO 604 12.932 -14.477 -1.601 767 HD2 PRO 604 HD2 PRO 604 9.944 -14.579 -1.719 768 HD3 PRO 604 HD3 PRO 604 11.019 -14.575 -0.305 769 H GLY 605 HN GLY 605 11.801 -9.690 -3.169 770 HA2 GLY 605 HA2 GLY 605 9.743 -9.750 -5.172 771 HA3 GLY 605 HA1 GLY 605 9.270 -8.855 -3.737 772 H LYS 606 HN LYS 606 9.212 -7.376 -5.832 773 HA LYS 606 HA LYS 606 9.915 -5.424 -6.736 774 HB2 LYS 606 HB2 LYS 606 11.988 -5.479 -4.539 775 HB3 LYS 606 HB3 LYS 606 11.618 -4.095 -5.552 776 HG2 LYS 606 HG2 LYS 606 9.558 -5.389 -3.795 777 HG3 LYS 606 HG3 LYS 606 10.633 -4.118 -3.219 778 HD2 LYS 606 HD2 LYS 606 8.832 -2.863 -3.860 779 HD3 LYS 606 HD3 LYS 606 9.753 -2.865 -5.363 780 HE2 LYS 606 HE2 LYS 606 7.392 -3.299 -5.765 781 HE3 LYS 606 HE3 LYS 606 8.371 -4.687 -6.212 782 HZ1 LYS 606 HZ1 LYS 606 6.407 -5.376 -5.016 783 HZ2 LYS 606 HZ2 LYS 606 6.811 -4.385 -3.705 784 HZ3 LYS 606 HZ3 LYS 606 7.777 -5.719 -4.089 785 H ASN 607 HN ASN 607 10.911 -7.912 -7.736 786 HA ASN 607 HA ASN 607 13.494 -7.028 -8.850 787 HB2 ASN 607 HB2 ASN 607 12.375 -9.798 -8.423 788 HB3 ASN 607 HB3 ASN 607 13.712 -9.495 -9.524 789 HD21 ASN 607 HD21 ASN 607 15.090 -10.775 -8.309 790 HD22 ASN 607 HD22 ASN 607 15.739 -10.245 -6.794 791 H VAL 608 HN VAL 608 13.664 -6.733 -10.992 792 HA VAL 608 HA VAL 608 13.149 -6.568 -13.201 793 HB VAL 608 HB VAL 608 10.927 -8.541 -12.668 794 HG11 VAL 608 HG11 VAL 608 10.599 -7.311 -14.732 795 HG12 VAL 608 HG12 VAL 608 11.061 -8.975 -15.088 796 HG13 VAL 608 HG13 VAL 608 12.246 -7.679 -15.242 797 HG21 VAL 608 HG21 VAL 608 13.740 -9.032 -13.648 798 HG22 VAL 608 HG22 VAL 608 12.468 -10.245 -13.520 799 HG23 VAL 608 HG23 VAL 608 13.103 -9.476 -12.065 800 H ALA 609 HN ALA 609 10.083 -6.915 -11.426 801 HA ALA 609 HA ALA 609 8.759 -4.915 -12.965 802 HB1 ALA 609 HB1 ALA 609 6.924 -5.199 -11.387 803 HB2 ALA 609 HB2 ALA 609 7.972 -6.137 -10.322 804 HB3 ALA 609 HB3 ALA 609 7.544 -6.764 -11.913 805 H ALA 610 HN ALA 610 9.992 -3.056 -12.836 806 HA ALA 610 HA ALA 610 10.497 -1.828 -10.275 807 HB1 ALA 610 HB1 ALA 610 10.845 -0.723 -13.058 808 HB2 ALA 610 HB2 ALA 610 12.091 -1.520 -12.100 809 HB3 ALA 610 HB3 ALA 610 11.421 0.023 -11.568 810 H ILE 611 HN ILE 611 8.668 -1.288 -9.264 811 HA ILE 611 HA ILE 611 6.436 -0.079 -10.620 812 HB ILE 611 HB ILE 611 6.941 -0.248 -7.634 813 HG12 ILE 611 HG12 ILE 611 5.396 -2.106 -9.463 814 HG13 ILE 611 HG13 ILE 611 6.937 -2.474 -8.697 815 HG21 ILE 611 HG21 ILE 611 4.502 0.014 -7.452 816 HG22 ILE 611 HG22 ILE 611 4.394 0.199 -9.202 817 HG23 ILE 611 HG23 ILE 611 5.245 1.407 -8.239 818 HD11 ILE 611 HD11 ILE 611 4.308 -2.008 -7.312 819 HD12 ILE 611 HD12 ILE 611 5.848 -2.263 -6.495 820 HD13 ILE 611 HD13 ILE 611 5.157 -3.543 -7.493 821 H ILE 612 HN ILE 612 8.240 1.454 -11.481 822 HA ILE 612 HA ILE 612 8.327 3.856 -9.782 823 HB ILE 612 HB ILE 612 10.243 3.090 -11.988 824 HG12 ILE 612 HG12 ILE 612 10.590 2.840 -8.991 825 HG13 ILE 612 HG13 ILE 612 10.371 1.498 -10.106 826 HG21 ILE 612 HG21 ILE 612 11.653 4.856 -11.048 827 HG22 ILE 612 HG22 ILE 612 10.427 5.186 -9.825 828 HG23 ILE 612 HG23 ILE 612 10.079 5.493 -11.526 829 HD11 ILE 612 HD11 ILE 612 12.485 2.079 -11.195 830 HD12 ILE 612 HD12 ILE 612 12.692 1.727 -9.479 831 HD13 ILE 612 HD13 ILE 612 12.701 3.398 -10.045 832 H GLN 613 HN GLN 613 6.259 2.917 -11.562 833 HA GLN 613 HA GLN 613 6.278 4.886 -13.735 834 HB2 GLN 613 HB2 GLN 613 4.357 2.610 -13.189 835 HB3 GLN 613 HB3 GLN 613 4.337 3.654 -14.603 836 HG2 GLN 613 HG2 GLN 613 6.459 2.787 -15.333 837 HG3 GLN 613 HG3 GLN 613 6.617 1.835 -13.859 838 HE21 GLN 613 HE21 GLN 613 6.769 -0.094 -14.982 839 HE22 GLN 613 HE22 GLN 613 5.405 -0.817 -15.765 840 H ASP 614 HN ASP 614 5.968 6.677 -12.287 841 HA ASP 614 HA ASP 614 3.480 7.516 -11.560 842 HB2 ASP 614 HB2 ASP 614 3.308 5.646 -10.023 843 HB3 ASP 614 HB3 ASP 614 4.886 6.012 -9.337 844 H ILE 615 HN ILE 615 3.673 9.537 -11.032 845 HA ILE 615 HA ILE 615 5.963 11.036 -11.083 846 HB ILE 615 HB ILE 615 3.649 11.912 -11.273 847 HG12 ILE 615 HG12 ILE 615 5.347 13.352 -9.217 848 HG13 ILE 615 HG13 ILE 615 5.590 13.432 -10.958 849 HG21 ILE 615 HG21 ILE 615 2.449 12.485 -9.226 850 HG22 ILE 615 HG22 ILE 615 3.711 11.693 -8.281 851 HG23 ILE 615 HG23 ILE 615 2.710 10.748 -9.376 852 HD11 ILE 615 HD11 ILE 615 3.157 14.383 -9.469 853 HD12 ILE 615 HD12 ILE 615 3.396 14.465 -11.215 854 HD13 ILE 615 HD13 ILE 615 4.435 15.397 -10.137 855 H HIS 616 HN HIS 616 7.045 12.291 -9.410 856 HA HIS 616 HA HIS 616 8.109 12.629 -7.431 857 HB2 HIS 616 HB2 HIS 616 6.153 10.599 -6.353 858 HB3 HIS 616 HB3 HIS 616 7.412 11.333 -5.366 859 HD1 HIS 616 HD1 HIS 616 3.976 11.690 -6.033 860 HD2 HIS 616 HD2 HIS 616 7.119 14.380 -5.636 861 HE1 HIS 616 HE1 HIS 616 2.910 13.900 -5.479 862 HE2 HIS 616 HE2 HIS 616 4.834 15.485 -5.136 863 H SER 617 HN SER 617 8.631 10.446 -9.477 864 HA SER 617 HA SER 617 10.336 8.720 -7.821 865 HB2 SER 617 HB2 SER 617 9.511 8.391 -10.712 866 HB3 SER 617 HB3 SER 617 10.436 7.233 -9.756 867 HG SER 617 HG SER 617 7.748 7.704 -9.832 868 H GLN 618 HN GLN 618 10.474 10.241 -11.032 869 HA GLN 618 HA GLN 618 12.130 11.172 -12.228 870 HB2 GLN 618 HB2 GLN 618 13.192 11.737 -9.474 871 HB3 GLN 618 HB3 GLN 618 13.965 12.336 -10.935 872 HG2 GLN 618 HG2 GLN 618 11.875 13.496 -11.527 873 HG3 GLN 618 HG3 GLN 618 11.165 12.940 -10.015 874 HE21 GLN 618 HE21 GLN 618 13.655 13.281 -8.528 875 HE22 GLN 618 HE22 GLN 618 13.835 14.982 -8.291 876 H ARG 619 HN ARG 619 12.728 9.334 -13.251 877 HA ARG 619 HA ARG 619 14.276 7.967 -14.169 878 HB2 ARG 619 HB2 ARG 619 16.048 8.969 -11.952 879 HB3 ARG 619 HB3 ARG 619 16.591 7.910 -13.248 880 HG2 ARG 619 HG2 ARG 619 16.045 9.634 -14.886 881 HG3 ARG 619 HG3 ARG 619 15.472 10.687 -13.591 882 HD2 ARG 619 HD2 ARG 619 18.276 9.622 -13.865 883 HD3 ARG 619 HD3 ARG 619 17.759 11.245 -14.313 884 HE ARG 619 HE ARG 619 17.110 11.412 -11.848 885 HH11 ARG 619 HH11 ARG 619 19.792 9.480 -13.018 886 HH12 ARG 619 HH12 ARG 619 20.708 9.646 -11.554 887 HH21 ARG 619 HH21 ARG 619 18.317 11.644 -9.937 888 HH22 ARG 619 HH22 ARG 619 19.871 10.880 -9.801 889 H GLU 620 HN GLU 620 14.330 5.832 -14.113 890 HA GLU 620 HA GLU 620 13.465 4.434 -11.776 891 HB2 GLU 620 HB2 GLU 620 13.770 2.397 -13.169 892 HB3 GLU 620 HB3 GLU 620 12.748 3.612 -13.919 893 HG2 GLU 620 HG2 GLU 620 14.589 4.308 -15.343 894 HG3 GLU 620 HG3 GLU 620 15.650 3.134 -14.564 895 H ARG 621 HN ARG 621 14.643 3.521 -10.240 896 HA ARG 621 HA ARG 621 17.554 3.388 -10.637 897 HB2 ARG 621 HB2 ARG 621 15.988 3.754 -8.072 898 HB3 ARG 621 HB3 ARG 621 17.737 3.610 -8.177 899 HG2 ARG 621 HG2 ARG 621 16.121 5.799 -9.468 900 HG3 ARG 621 HG3 ARG 621 16.949 5.936 -7.915 901 HD2 ARG 621 HD2 ARG 621 18.306 5.290 -10.532 902 HD3 ARG 621 HD3 ARG 621 18.229 6.898 -9.818 903 HE ARG 621 HE ARG 621 19.299 5.365 -7.843 904 HH11 ARG 621 HH11 ARG 621 20.143 5.936 -11.193 905 HH12 ARG 621 HH12 ARG 621 21.842 5.703 -10.934 906 HH21 ARG 621 HH21 ARG 621 21.528 5.076 -7.499 907 HH22 ARG 621 HH22 ARG 621 22.629 5.209 -8.835 Start of MODEL 2 1 H1 GLY 510 HT1 GLY 510 14.367 -4.167 5.109 2 H2 GLY 510 HT2 GLY 510 13.136 -3.530 6.071 3 H3 GLY 510 HT3 GLY 510 13.543 -2.778 4.612 4 HA2 GLY 510 HA1 GLY 510 12.393 -5.501 4.871 5 HA3 GLY 510 HA2 GLY 510 11.485 -4.065 4.424 6 H ALA 511 HN ALA 511 11.569 -6.294 2.777 7 HA ALA 511 HA ALA 511 13.607 -6.389 0.882 8 HB1 ALA 511 HB1 ALA 511 12.030 -7.579 -0.539 9 HB2 ALA 511 HB2 ALA 511 10.689 -7.030 0.467 10 HB3 ALA 511 HB3 ALA 511 11.900 -8.126 1.133 11 H MET 512 HN MET 512 10.370 -5.107 0.098 12 HA MET 512 HA MET 512 11.692 -3.071 -1.556 13 HB2 MET 512 HB2 MET 512 8.845 -4.093 -1.624 14 HB3 MET 512 HB3 MET 512 9.456 -2.789 -2.629 15 HG2 MET 512 HG2 MET 512 9.498 -4.652 -4.012 16 HG3 MET 512 HG3 MET 512 11.167 -4.473 -3.479 17 HE1 MET 512 HE1 MET 512 10.273 -7.108 -4.829 18 HE2 MET 512 HE2 MET 512 10.931 -8.326 -3.739 19 HE3 MET 512 HE3 MET 512 11.875 -6.888 -4.126 20 H ALA 513 HN ALA 513 11.032 -3.201 1.431 21 HA ALA 513 HA ALA 513 9.382 -0.786 1.644 22 HB1 ALA 513 HB1 ALA 513 9.183 -1.334 4.026 23 HB2 ALA 513 HB2 ALA 513 10.222 -2.739 3.786 24 HB3 ALA 513 HB3 ALA 513 8.642 -2.669 3.003 25 H GLN 514 HN GLN 514 10.454 1.018 1.666 26 HA GLN 514 HA GLN 514 13.224 1.291 2.225 27 HB2 GLN 514 HB2 GLN 514 11.068 3.422 2.179 28 HB3 GLN 514 HB3 GLN 514 12.796 3.722 2.147 29 HG2 GLN 514 HG2 GLN 514 11.997 3.982 -0.067 30 HG3 GLN 514 HG3 GLN 514 12.898 2.468 -0.018 31 HE21 GLN 514 HE21 GLN 514 11.868 1.585 -1.763 32 HE22 GLN 514 HE22 GLN 514 10.219 1.069 -1.719 33 H ARG 515 HN ARG 515 10.468 1.131 4.184 34 HA ARG 515 HA ARG 515 9.956 1.569 6.346 35 HB2 ARG 515 HB2 ARG 515 12.854 2.354 6.675 36 HB3 ARG 515 HB3 ARG 515 11.700 2.101 7.982 37 HG2 ARG 515 HG2 ARG 515 11.448 -0.271 6.943 38 HG3 ARG 515 HG3 ARG 515 12.998 0.099 6.188 39 HD2 ARG 515 HD2 ARG 515 13.517 -1.024 8.191 40 HD3 ARG 515 HD3 ARG 515 13.834 0.683 8.508 41 HE ARG 515 HE ARG 515 11.182 0.062 9.237 42 HH11 ARG 515 HH11 ARG 515 14.480 -0.534 10.281 43 HH12 ARG 515 HH12 ARG 515 14.044 -0.750 11.946 44 HH21 ARG 515 HH21 ARG 515 10.614 -0.233 11.412 45 HH22 ARG 515 HH22 ARG 515 11.842 -0.581 12.591 46 H LYS 516 HN LYS 516 12.048 3.921 4.759 47 HA LYS 516 HA LYS 516 11.479 5.954 3.894 48 HB2 LYS 516 HB2 LYS 516 8.780 5.604 5.212 49 HB3 LYS 516 HB3 LYS 516 9.182 6.708 3.905 50 HG2 LYS 516 HG2 LYS 516 9.258 5.022 2.326 51 HG3 LYS 516 HG3 LYS 516 9.535 3.766 3.535 52 HD2 LYS 516 HD2 LYS 516 7.124 4.713 4.323 53 HD3 LYS 516 HD3 LYS 516 7.019 4.952 2.578 54 HE2 LYS 516 HE2 LYS 516 7.835 2.350 3.857 55 HE3 LYS 516 HE3 LYS 516 6.172 2.739 3.425 56 HZ1 LYS 516 HZ1 LYS 516 6.793 2.910 1.138 57 HZ2 LYS 516 HZ2 LYS 516 7.339 1.418 1.731 58 HZ3 LYS 516 HZ3 LYS 516 8.434 2.693 1.498 59 H GLY 517 HN GLY 517 12.429 5.399 6.724 60 HA2 GLY 517 HA2 GLY 517 13.137 6.788 8.451 61 HA3 GLY 517 HA1 GLY 517 12.252 8.107 7.697 62 H ALA 518 HN ALA 518 9.976 6.058 7.614 63 HA ALA 518 HA ALA 518 9.039 5.680 10.261 64 HB1 ALA 518 HB1 ALA 518 7.937 8.121 8.851 65 HB2 ALA 518 HB2 ALA 518 8.919 8.127 10.315 66 HB3 ALA 518 HB3 ALA 518 7.303 7.424 10.342 67 H GLY 519 HN GLY 519 7.408 6.967 7.382 68 HA2 GLY 519 HA2 GLY 519 6.292 5.881 5.690 69 HA3 GLY 519 HA1 GLY 519 6.810 4.352 6.378 70 H ARG 520 HN ARG 520 4.290 4.872 5.262 71 HA ARG 520 HA ARG 520 2.649 4.148 7.555 72 HB2 ARG 520 HB2 ARG 520 1.903 6.255 5.523 73 HB3 ARG 520 HB3 ARG 520 0.747 5.488 6.601 74 HG2 ARG 520 HG2 ARG 520 2.026 6.363 8.526 75 HG3 ARG 520 HG3 ARG 520 3.081 7.211 7.392 76 HD2 ARG 520 HD2 ARG 520 1.147 8.422 6.508 77 HD3 ARG 520 HD3 ARG 520 0.103 7.587 7.656 78 HE ARG 520 HE ARG 520 2.301 9.067 8.826 79 HH11 ARG 520 HH11 ARG 520 -1.067 9.069 7.868 80 HH12 ARG 520 HH12 ARG 520 -1.487 10.422 8.866 81 HH21 ARG 520 HH21 ARG 520 1.750 10.856 10.151 82 HH22 ARG 520 HH22 ARG 520 0.117 11.440 10.167 83 H VAL 521 HN VAL 521 1.160 2.614 7.111 84 HA VAL 521 HA VAL 521 0.997 1.646 4.341 85 HB VAL 521 HB VAL 521 0.605 0.167 6.951 86 HG11 VAL 521 HG11 VAL 521 -1.073 -0.572 5.319 87 HG12 VAL 521 HG12 VAL 521 0.131 -1.822 5.626 88 HG13 VAL 521 HG13 VAL 521 0.209 -0.869 4.143 89 HG21 VAL 521 HG21 VAL 521 2.446 -1.228 6.117 90 HG22 VAL 521 HG22 VAL 521 2.925 0.461 6.308 91 HG23 VAL 521 HG23 VAL 521 2.579 -0.183 4.702 92 H VAL 522 HN VAL 522 -0.956 1.533 3.363 93 HA VAL 522 HA VAL 522 -3.253 2.585 4.869 94 HB VAL 522 HB VAL 522 -2.869 2.286 1.885 95 HG11 VAL 522 HG11 VAL 522 -4.866 3.651 1.688 96 HG12 VAL 522 HG12 VAL 522 -5.060 3.622 3.440 97 HG13 VAL 522 HG13 VAL 522 -5.194 2.128 2.510 98 HG21 VAL 522 HG21 VAL 522 -1.407 3.986 2.865 99 HG22 VAL 522 HG22 VAL 522 -2.814 4.749 3.605 100 HG23 VAL 522 HG23 VAL 522 -2.659 4.705 1.851 101 H HIS 523 HN HIS 523 -5.061 1.354 5.189 102 HA HIS 523 HA HIS 523 -4.979 -1.350 4.041 103 HB2 HIS 523 HB2 HIS 523 -6.129 -2.206 5.974 104 HB3 HIS 523 HB3 HIS 523 -4.689 -1.341 6.490 105 HD1 HIS 523 HD1 HIS 523 -5.014 0.446 8.193 106 HD2 HIS 523 HD2 HIS 523 -8.560 -0.716 6.395 107 HE1 HIS 523 HE1 HIS 523 -6.831 1.570 9.522 108 HE2 HIS 523 HE2 HIS 523 -8.968 0.627 8.587 109 H ILE 524 HN ILE 524 -6.704 -2.193 3.107 110 HA ILE 524 HA ILE 524 -9.006 -0.409 2.705 111 HB ILE 524 HB ILE 524 -7.742 -2.378 0.800 112 HG12 ILE 524 HG12 ILE 524 -8.055 0.626 0.707 113 HG13 ILE 524 HG13 ILE 524 -6.563 -0.245 1.029 114 HG21 ILE 524 HG21 ILE 524 -9.440 -1.548 -0.827 115 HG22 ILE 524 HG22 ILE 524 -10.284 -0.792 0.527 116 HG23 ILE 524 HG23 ILE 524 -10.090 -2.546 0.473 117 HD11 ILE 524 HD11 ILE 524 -6.750 0.649 -1.265 118 HD12 ILE 524 HD12 ILE 524 -8.112 -0.441 -1.535 119 HD13 ILE 524 HD13 ILE 524 -6.511 -1.095 -1.195 120 H CYS 525 HN CYS 525 -10.986 -1.190 3.119 121 HA CYS 525 HA CYS 525 -11.123 -3.960 4.110 122 HB2 CYS 525 HB2 CYS 525 -12.867 -1.649 4.974 123 HB3 CYS 525 HB3 CYS 525 -12.729 -3.229 5.735 124 HG CYS 525 HG CYS 525 -10.445 -2.828 7.031 125 H ASN 526 HN ASN 526 -13.520 -4.712 4.182 126 HA ASN 526 HA ASN 526 -15.417 -5.328 3.111 127 HB2 ASN 526 HB2 ASN 526 -15.144 -2.568 1.924 128 HB3 ASN 526 HB3 ASN 526 -16.511 -3.623 1.587 129 HD21 ASN 526 HD21 ASN 526 -18.026 -3.998 3.168 130 HD22 ASN 526 HD22 ASN 526 -18.104 -3.069 4.623 131 H LEU 527 HN LEU 527 -12.837 -6.029 2.008 132 HA LEU 527 HA LEU 527 -13.165 -5.905 -0.867 133 HB2 LEU 527 HB2 LEU 527 -11.076 -7.131 0.929 134 HB3 LEU 527 HB1 LEU 527 -11.026 -7.251 -0.821 135 HG LEU 527 HG LEU 527 -11.061 -4.617 0.648 136 HD11 LEU 527 HD11 LEU 527 -8.689 -4.477 0.285 137 HD12 LEU 527 HD12 LEU 527 -8.678 -6.062 -0.498 138 HD13 LEU 527 HD13 LEU 527 -9.045 -5.930 1.223 139 HD21 LEU 527 HD21 LEU 527 -11.830 -4.469 -1.623 140 HD22 LEU 527 HD22 LEU 527 -10.450 -5.408 -2.192 141 HD23 LEU 527 HD23 LEU 527 -10.203 -3.796 -1.522 142 HA PRO 528 HA PRO 528 -15.464 -9.751 -0.857 143 HB2 PRO 528 HB2 PRO 528 -15.679 -9.927 -3.574 144 HB3 PRO 528 HB3 PRO 528 -16.736 -8.932 -2.568 145 HG2 PRO 528 HG2 PRO 528 -14.364 -8.134 -4.196 146 HG3 PRO 528 HG3 PRO 528 -15.909 -7.293 -3.974 147 HD2 PRO 528 HD2 PRO 528 -13.648 -6.571 -2.672 148 HD3 PRO 528 HD3 PRO 528 -15.264 -6.374 -1.967 149 H GLU 529 HN GLU 529 -14.715 -11.733 -0.757 150 HA GLU 529 HA GLU 529 -12.083 -12.419 -1.540 151 HB2 GLU 529 HB2 GLU 529 -14.265 -13.635 -0.067 152 HB3 GLU 529 HB3 GLU 529 -13.447 -14.803 -1.096 153 HG2 GLU 529 HG2 GLU 529 -11.999 -12.983 0.804 154 HG3 GLU 529 HG3 GLU 529 -12.563 -14.595 1.242 155 H GLY 530 HN GLY 530 -11.324 -13.319 -3.339 156 HA2 GLY 530 HA2 GLY 530 -11.344 -14.717 -5.200 157 HA3 GLY 530 HA1 GLY 530 -13.082 -14.874 -5.035 158 H SER 531 HN SER 531 -13.065 -11.748 -4.912 159 HA SER 531 HA SER 531 -13.136 -11.513 -7.837 160 HB2 SER 531 HB2 SER 531 -15.250 -11.110 -6.520 161 HB3 SER 531 HB3 SER 531 -14.472 -9.680 -5.842 162 HG SER 531 HG SER 531 -14.514 -10.004 -8.626 163 H CYS 532 HN CYS 532 -11.917 -9.918 -4.919 164 HA CYS 532 HA CYS 532 -10.520 -7.949 -6.520 165 HB2 CYS 532 HB2 CYS 532 -10.492 -8.471 -3.545 166 HB3 CYS 532 HB3 CYS 532 -9.604 -7.173 -4.335 167 HG CYS 532 HG CYS 532 -11.512 -5.477 -4.210 168 H THR 533 HN THR 533 -8.523 -8.114 -7.253 169 HA THR 533 HA THR 533 -6.898 -10.375 -6.313 170 HB THR 533 HB THR 533 -5.620 -10.159 -8.401 171 HG1 THR 533 HG1 THR 533 -7.464 -8.034 -8.902 172 HG21 THR 533 HG21 THR 533 -7.506 -11.680 -8.403 173 HG22 THR 533 HG22 THR 533 -7.384 -10.886 -9.974 174 HG23 THR 533 HG23 THR 533 -8.603 -10.363 -8.813 175 H GLU 534 HN GLU 534 -4.467 -9.888 -6.484 176 HA GLU 534 HA GLU 534 -3.705 -7.953 -4.670 177 HB2 GLU 534 HB2 GLU 534 -1.966 -8.834 -6.973 178 HB3 GLU 534 HB3 GLU 534 -1.457 -8.339 -5.367 179 HG2 GLU 534 HG2 GLU 534 -2.144 -10.342 -4.397 180 HG3 GLU 534 HG3 GLU 534 -3.150 -10.772 -5.777 181 H ASN 535 HN ASN 535 -3.860 -7.776 -8.181 182 HA ASN 535 HA ASN 535 -2.488 -5.373 -8.552 183 HB2 ASN 535 HB2 ASN 535 -4.693 -6.427 -10.326 184 HB3 ASN 535 HB3 ASN 535 -3.367 -5.370 -10.792 185 HD21 ASN 535 HD21 ASN 535 -4.376 -8.600 -10.172 186 HD22 ASN 535 HD22 ASN 535 -2.920 -9.382 -10.681 187 H ASP 536 HN ASP 536 -5.958 -5.967 -8.051 188 HA ASP 536 HA ASP 536 -6.837 -3.428 -8.913 189 HB2 ASP 536 HB2 ASP 536 -8.199 -5.212 -6.881 190 HB3 ASP 536 HB3 ASP 536 -8.940 -3.916 -7.808 191 H VAL 537 HN VAL 537 -6.114 -4.704 -5.718 192 HA VAL 537 HA VAL 537 -6.860 -2.445 -4.223 193 HB VAL 537 HB VAL 537 -4.793 -4.552 -3.573 194 HG11 VAL 537 HG11 VAL 537 -5.056 -3.985 -1.290 195 HG12 VAL 537 HG12 VAL 537 -6.383 -2.888 -1.650 196 HG13 VAL 537 HG13 VAL 537 -4.744 -2.482 -2.160 197 HG21 VAL 537 HG21 VAL 537 -6.621 -5.684 -2.385 198 HG22 VAL 537 HG22 VAL 537 -6.939 -5.553 -4.116 199 HG23 VAL 537 HG23 VAL 537 -7.749 -4.465 -2.984 200 H ILE 538 HN ILE 538 -3.802 -3.442 -5.665 201 HA ILE 538 HA ILE 538 -2.230 -1.294 -4.706 202 HB ILE 538 HB ILE 538 -1.877 -3.021 -7.164 203 HG12 ILE 538 HG12 ILE 538 -0.566 -3.247 -4.449 204 HG13 ILE 538 HG13 ILE 538 -1.971 -4.187 -4.937 205 HG21 ILE 538 HG21 ILE 538 -0.578 -0.973 -7.356 206 HG22 ILE 538 HG22 ILE 538 0.484 -2.353 -7.073 207 HG23 ILE 538 HG23 ILE 538 0.111 -1.241 -5.755 208 HD11 ILE 538 HD11 ILE 538 0.040 -5.490 -5.154 209 HD12 ILE 538 HD12 ILE 538 0.754 -4.265 -6.205 210 HD13 ILE 538 HD13 ILE 538 -0.654 -5.181 -6.745 211 H ASN 539 HN ASN 539 -4.081 -1.815 -7.667 212 HA ASN 539 HA ASN 539 -3.309 0.497 -9.051 213 HB2 ASN 539 HB2 ASN 539 -5.777 -1.218 -9.219 214 HB3 ASN 539 HB3 ASN 539 -5.535 0.175 -10.267 215 HD21 ASN 539 HD21 ASN 539 -5.767 -2.629 -10.953 216 HD22 ASN 539 HD22 ASN 539 -4.307 -3.046 -11.792 217 H LEU 540 HN LEU 540 -5.656 0.040 -6.513 218 HA LEU 540 HA LEU 540 -7.067 2.475 -6.980 219 HB2 LEU 540 HB2 LEU 540 -6.880 0.805 -4.479 220 HB3 LEU 540 HB1 LEU 540 -7.998 2.129 -4.726 221 HG LEU 540 HG LEU 540 -7.979 -0.540 -6.116 222 HD11 LEU 540 HD11 LEU 540 -10.214 -0.703 -5.147 223 HD12 LEU 540 HD12 LEU 540 -10.002 0.875 -4.389 224 HD13 LEU 540 HD13 LEU 540 -8.982 -0.482 -3.905 225 HD21 LEU 540 HD21 LEU 540 -9.928 0.265 -7.380 226 HD22 LEU 540 HD22 LEU 540 -8.460 1.153 -7.790 227 HD23 LEU 540 HD23 LEU 540 -9.667 1.884 -6.732 228 H GLY 541 HN GLY 541 -4.339 1.562 -4.939 229 HA2 GLY 541 HA2 GLY 541 -4.338 4.046 -3.497 230 HA3 GLY 541 HA1 GLY 541 -3.098 2.805 -3.435 231 H LEU 542 HN LEU 542 -2.552 2.743 -6.226 232 HA LEU 542 HA LEU 542 -0.350 4.350 -6.287 233 HB2 LEU 542 HB2 LEU 542 -1.947 3.247 -8.564 234 HB3 LEU 542 HB1 LEU 542 -0.433 4.083 -8.808 235 HG LEU 542 HG LEU 542 -0.707 1.612 -7.102 236 HD11 LEU 542 HD11 LEU 542 0.195 1.865 -9.967 237 HD12 LEU 542 HD12 LEU 542 -1.289 1.093 -9.412 238 HD13 LEU 542 HD13 LEU 542 0.275 0.406 -8.981 239 HD21 LEU 542 HD21 LEU 542 1.685 3.020 -8.276 240 HD22 LEU 542 HD22 LEU 542 1.717 1.530 -7.334 241 HD23 LEU 542 HD23 LEU 542 1.203 3.037 -6.580 242 HA PRO 543 HA PRO 543 -2.838 7.501 -9.289 243 HB2 PRO 543 HB2 PRO 543 -5.118 7.638 -7.330 244 HB3 PRO 543 HB3 PRO 543 -5.108 7.989 -9.071 245 HG2 PRO 543 HG2 PRO 543 -6.033 5.681 -8.229 246 HG3 PRO 543 HG3 PRO 543 -4.954 5.724 -9.637 247 HD2 PRO 543 HD2 PRO 543 -4.377 4.889 -6.833 248 HD3 PRO 543 HD3 PRO 543 -3.750 4.235 -8.357 249 H PHE 544 HN PHE 544 -3.057 7.610 -5.702 250 HA PHE 544 HA PHE 544 -2.012 10.352 -5.928 251 HB2 PHE 544 HB2 PHE 544 -3.654 9.084 -3.759 252 HB3 PHE 544 HB1 PHE 544 -2.813 10.615 -3.540 253 HD1 PHE 544 HD1 PHE 544 -5.398 8.897 -5.548 254 HD2 PHE 544 HD2 PHE 544 -3.697 12.615 -4.378 255 HE1 PHE 544 HE1 PHE 544 -7.276 10.079 -6.602 256 HE2 PHE 544 HE2 PHE 544 -5.574 13.805 -5.426 257 HZ PHE 544 HZ PHE 544 -7.367 12.539 -6.543 258 H GLY 545 HN GLY 545 -1.274 7.206 -4.761 259 HA2 GLY 545 HA2 GLY 545 1.369 8.205 -4.018 260 HA3 GLY 545 HA1 GLY 545 0.465 7.303 -2.810 261 H LYS 546 HN LYS 546 2.878 7.032 -4.907 262 HA LYS 546 HA LYS 546 2.619 4.613 -6.239 263 HB2 LYS 546 HB2 LYS 546 4.515 6.023 -6.636 264 HB3 LYS 546 HB3 LYS 546 5.004 5.941 -4.952 265 HG2 LYS 546 HG2 LYS 546 6.494 4.570 -6.171 266 HG3 LYS 546 HG3 LYS 546 5.417 3.488 -5.285 267 HD2 LYS 546 HD2 LYS 546 4.119 3.088 -7.287 268 HD3 LYS 546 HD3 LYS 546 5.087 4.259 -8.185 269 HE2 LYS 546 HE2 LYS 546 7.077 2.869 -7.836 270 HE3 LYS 546 HE3 LYS 546 6.100 1.697 -6.954 271 HZ1 LYS 546 HZ1 LYS 546 6.510 1.095 -9.294 272 HZ2 LYS 546 HZ2 LYS 546 5.637 2.458 -9.783 273 HZ3 LYS 546 HZ3 LYS 546 4.866 1.222 -8.926 274 H VAL 547 HN VAL 547 2.880 2.505 -5.689 275 HA VAL 547 HA VAL 547 2.839 1.830 -2.855 276 HB VAL 547 HB VAL 547 2.078 0.234 -5.307 277 HG11 VAL 547 HG11 VAL 547 1.858 -0.519 -2.397 278 HG12 VAL 547 HG12 VAL 547 2.966 -1.227 -3.572 279 HG13 VAL 547 HG13 VAL 547 1.225 -1.449 -3.756 280 HG21 VAL 547 HG21 VAL 547 -0.202 0.453 -4.453 281 HG22 VAL 547 HG22 VAL 547 0.518 2.030 -4.775 282 HG23 VAL 547 HG23 VAL 547 0.391 1.440 -3.118 283 H THR 548 HN THR 548 4.430 0.682 -1.921 284 HA THR 548 HA THR 548 6.619 -0.280 -3.628 285 HB THR 548 HB THR 548 7.954 -0.287 -1.489 286 HG1 THR 548 HG1 THR 548 6.841 0.026 0.278 287 HG21 THR 548 HG21 THR 548 8.161 1.527 -3.116 288 HG22 THR 548 HG22 THR 548 8.302 2.136 -1.466 289 HG23 THR 548 HG23 THR 548 6.801 2.364 -2.366 290 H ASN 549 HN ASN 549 4.293 -1.240 -1.212 291 HA ASN 549 HA ASN 549 5.000 -4.045 -1.582 292 HB2 ASN 549 HB2 ASN 549 5.164 -2.580 1.029 293 HB3 ASN 549 HB3 ASN 549 4.745 -4.288 0.996 294 HD21 ASN 549 HD21 ASN 549 7.058 -2.822 2.055 295 HD22 ASN 549 HD22 ASN 549 8.436 -3.577 1.334 296 H TYR 550 HN TYR 550 3.361 -5.493 -0.619 297 HA TYR 550 HA TYR 550 0.927 -4.259 0.335 298 HB2 TYR 550 HB2 TYR 550 -0.536 -5.342 -1.280 299 HB3 TYR 550 HB3 TYR 550 0.616 -4.319 -2.128 300 HD1 TYR 550 HD1 TYR 550 -0.574 -7.710 -1.620 301 HD2 TYR 550 HD2 TYR 550 2.487 -5.348 -3.394 302 HE1 TYR 550 HE1 TYR 550 0.083 -9.622 -3.017 303 HE2 TYR 550 HE2 TYR 550 3.151 -7.255 -4.795 304 HH TYR 550 HH TYR 550 1.234 -10.095 -5.070 305 H ILE 551 HN ILE 551 -0.348 -5.651 1.534 306 HA ILE 551 HA ILE 551 0.460 -8.458 1.712 307 HB ILE 551 HB ILE 551 0.284 -6.559 4.051 308 HG12 ILE 551 HG12 ILE 551 2.327 -8.582 3.111 309 HG13 ILE 551 HG13 ILE 551 2.497 -6.831 3.130 310 HG21 ILE 551 HG21 ILE 551 -1.163 -8.441 4.589 311 HG22 ILE 551 HG22 ILE 551 0.314 -8.505 5.551 312 HG23 ILE 551 HG23 ILE 551 0.122 -9.572 4.161 313 HD11 ILE 551 HD11 ILE 551 2.315 -8.628 5.538 314 HD12 ILE 551 HD12 ILE 551 2.444 -6.871 5.582 315 HD13 ILE 551 HD13 ILE 551 3.765 -7.834 4.925 316 H LEU 552 HN LEU 552 -1.239 -9.741 1.602 317 HA LEU 552 HA LEU 552 -3.881 -8.471 1.696 318 HB2 LEU 552 HB2 LEU 552 -2.845 -10.907 0.257 319 HB3 LEU 552 HB1 LEU 552 -4.544 -10.475 0.312 320 HG LEU 552 HG LEU 552 -2.419 -8.641 -0.792 321 HD11 LEU 552 HD11 LEU 552 -3.150 -9.338 -3.005 322 HD12 LEU 552 HD12 LEU 552 -4.251 -10.516 -2.286 323 HD13 LEU 552 HD13 LEU 552 -2.507 -10.715 -2.108 324 HD21 LEU 552 HD21 LEU 552 -4.369 -7.585 -1.864 325 HD22 LEU 552 HD22 LEU 552 -4.415 -7.509 -0.103 326 HD23 LEU 552 HD23 LEU 552 -5.422 -8.680 -0.962 327 H MET 553 HN MET 553 -4.930 -8.804 3.549 328 HA MET 553 HA MET 553 -4.755 -11.481 4.758 329 HB2 MET 553 HB2 MET 553 -5.660 -8.853 5.957 330 HB3 MET 553 HB3 MET 553 -5.732 -10.402 6.785 331 HG2 MET 553 HG2 MET 553 -3.229 -9.036 5.821 332 HG3 MET 553 HG3 MET 553 -3.802 -9.095 7.487 333 HE1 MET 553 HE1 MET 553 -0.859 -9.952 6.704 334 HE2 MET 553 HE2 MET 553 -0.688 -11.431 7.648 335 HE3 MET 553 HE3 MET 553 -1.506 -10.032 8.343 336 H LYS 554 HN LYS 554 -6.170 -12.381 3.257 337 HA LYS 554 HA LYS 554 -8.749 -11.333 2.729 338 HB2 LYS 554 HB2 LYS 554 -7.537 -14.056 2.285 339 HB3 LYS 554 HB3 LYS 554 -9.168 -13.638 1.780 340 HG2 LYS 554 HG2 LYS 554 -6.666 -12.221 0.862 341 HG3 LYS 554 HG3 LYS 554 -7.522 -13.470 -0.047 342 HD2 LYS 554 HD2 LYS 554 -9.574 -11.967 0.145 343 HD3 LYS 554 HD3 LYS 554 -8.461 -10.707 0.681 344 HE2 LYS 554 HE2 LYS 554 -8.892 -10.540 -1.716 345 HE3 LYS 554 HE3 LYS 554 -7.201 -10.929 -1.403 346 HZ1 LYS 554 HZ1 LYS 554 -7.531 -13.145 -2.050 347 HZ2 LYS 554 HZ2 LYS 554 -8.348 -12.238 -3.220 348 HZ3 LYS 554 HZ3 LYS 554 -9.217 -13.020 -1.991 349 H SER 555 HN SER 555 -7.435 -13.421 5.155 350 HA SER 555 HA SER 555 -9.786 -14.618 6.092 351 HB2 SER 555 HB2 SER 555 -8.495 -14.955 8.193 352 HB3 SER 555 HB3 SER 555 -7.601 -15.428 6.749 353 HG SER 555 HG SER 555 -6.898 -13.677 8.615 354 H THR 556 HN THR 556 -8.408 -11.444 6.698 355 HA THR 556 HA THR 556 -10.576 -10.871 8.590 356 HB THR 556 HB THR 556 -9.286 -8.831 9.167 357 HG1 THR 556 HG1 THR 556 -7.153 -8.651 8.347 358 HG21 THR 556 HG21 THR 556 -7.715 -11.402 9.358 359 HG22 THR 556 HG22 THR 556 -8.971 -10.871 10.475 360 HG23 THR 556 HG23 THR 556 -7.462 -9.967 10.351 361 H ASN 557 HN ASN 557 -10.277 -10.876 5.467 362 HA ASN 557 HA ASN 557 -11.244 -9.855 3.685 363 HB2 ASN 557 HB2 ASN 557 -12.969 -8.640 5.852 364 HB3 ASN 557 HB3 ASN 557 -13.326 -8.559 4.130 365 HD21 ASN 557 HD21 ASN 557 -15.267 -9.626 4.386 366 HD22 ASN 557 HD22 ASN 557 -15.359 -11.326 4.706 367 H GLN 558 HN GLN 558 -8.915 -8.583 4.612 368 HA GLN 558 HA GLN 558 -9.432 -5.855 3.757 369 HB2 GLN 558 HB2 GLN 558 -8.105 -6.621 6.359 370 HB3 GLN 558 HB3 GLN 558 -8.007 -5.025 5.643 371 HG2 GLN 558 HG2 GLN 558 -10.379 -4.718 5.855 372 HG3 GLN 558 HG3 GLN 558 -10.582 -6.384 6.404 373 HE21 GLN 558 HE21 GLN 558 -9.874 -6.947 8.462 374 HE22 GLN 558 HE22 GLN 558 -9.612 -5.760 9.692 375 H ALA 559 HN ALA 559 -7.498 -4.730 3.113 376 HA ALA 559 HA ALA 559 -5.192 -6.495 2.632 377 HB1 ALA 559 HB1 ALA 559 -6.400 -4.559 0.656 378 HB2 ALA 559 HB2 ALA 559 -6.474 -6.319 0.565 379 HB3 ALA 559 HB3 ALA 559 -4.921 -5.494 0.411 380 H PHE 560 HN PHE 560 -3.197 -5.541 2.768 381 HA PHE 560 HA PHE 560 -3.175 -2.765 3.732 382 HB2 PHE 560 HB2 PHE 560 -1.255 -5.031 4.312 383 HB3 PHE 560 HB1 PHE 560 -1.047 -3.373 4.868 384 HD1 PHE 560 HD1 PHE 560 -2.827 -6.506 5.354 385 HD2 PHE 560 HD2 PHE 560 -2.537 -2.436 6.562 386 HE1 PHE 560 HE1 PHE 560 -4.183 -7.004 7.345 387 HE2 PHE 560 HE2 PHE 560 -3.890 -2.927 8.554 388 HZ PHE 560 HZ PHE 560 -4.716 -5.213 8.948 389 H LEU 561 HN LEU 561 -2.079 -1.309 2.612 390 HA LEU 561 HA LEU 561 -0.386 -2.248 0.393 391 HB2 LEU 561 HB2 LEU 561 -2.743 -1.379 -0.135 392 HB3 LEU 561 HB1 LEU 561 -2.136 0.197 0.327 393 HG LEU 561 HG LEU 561 -0.429 0.022 -1.468 394 HD11 LEU 561 HD11 LEU 561 -0.293 -2.400 -1.615 395 HD12 LEU 561 HD12 LEU 561 -0.715 -1.704 -3.179 396 HD13 LEU 561 HD13 LEU 561 -1.957 -2.473 -2.192 397 HD21 LEU 561 HD21 LEU 561 -3.294 -0.304 -2.357 398 HD22 LEU 561 HD22 LEU 561 -1.990 0.405 -3.309 399 HD23 LEU 561 HD23 LEU 561 -2.538 1.202 -1.834 400 H GLU 562 HN GLU 562 1.589 -1.293 0.255 401 HA GLU 562 HA GLU 562 2.196 0.786 2.249 402 HB2 GLU 562 HB2 GLU 562 3.493 -1.418 2.159 403 HB3 GLU 562 HB3 GLU 562 4.191 -0.810 0.661 404 HG2 GLU 562 HG2 GLU 562 5.025 1.161 1.895 405 HG3 GLU 562 HG3 GLU 562 4.420 0.442 3.387 406 H MET 563 HN MET 563 2.999 2.738 1.658 407 HA MET 563 HA MET 563 3.130 3.247 -1.226 408 HB2 MET 563 HB2 MET 563 2.504 5.081 1.085 409 HB3 MET 563 HB3 MET 563 2.799 5.658 -0.552 410 HG2 MET 563 HG2 MET 563 0.455 5.505 -0.233 411 HG3 MET 563 HG3 MET 563 0.939 4.219 -1.333 412 HE1 MET 563 HE1 MET 563 -0.891 2.556 -1.187 413 HE2 MET 563 HE2 MET 563 -1.851 3.779 -0.351 414 HE3 MET 563 HE3 MET 563 -1.771 2.135 0.281 415 H ALA 564 HN ALA 564 4.769 4.615 -2.062 416 HA ALA 564 HA ALA 564 7.331 3.975 -1.123 417 HB1 ALA 564 HB1 ALA 564 8.164 5.524 -2.798 418 HB2 ALA 564 HB2 ALA 564 6.563 6.244 -2.957 419 HB3 ALA 564 HB3 ALA 564 6.832 4.573 -3.457 420 H TYR 565 HN TYR 565 5.407 6.899 -0.756 421 HA TYR 565 HA TYR 565 7.352 7.857 1.238 422 HB2 TYR 565 HB2 TYR 565 5.442 9.604 -0.324 423 HB3 TYR 565 HB3 TYR 565 6.838 10.106 0.623 424 HD1 TYR 565 HD1 TYR 565 5.638 9.091 -2.595 425 HD2 TYR 565 HD2 TYR 565 9.156 9.526 -0.249 426 HE1 TYR 565 HE1 TYR 565 6.995 9.026 -4.639 427 HE2 TYR 565 HE2 TYR 565 10.527 9.466 -2.291 428 HH TYR 565 HH TYR 565 9.256 9.854 -5.369 429 H THR 566 HN THR 566 6.454 8.785 3.151 430 HA THR 566 HA THR 566 4.034 7.673 4.059 431 HB THR 566 HB THR 566 5.733 8.389 5.652 432 HG1 THR 566 HG1 THR 566 4.323 9.260 7.135 433 HG21 THR 566 HG21 THR 566 6.108 10.761 6.156 434 HG22 THR 566 HG22 THR 566 5.062 11.212 4.810 435 HG23 THR 566 HG23 THR 566 6.581 10.370 4.504 436 H GLU 567 HN GLU 567 4.802 10.795 2.634 437 HA GLU 567 HA GLU 567 2.252 11.967 2.940 438 HB2 GLU 567 HB2 GLU 567 3.031 13.556 1.192 439 HB3 GLU 567 HB3 GLU 567 4.158 13.368 2.528 440 HG2 GLU 567 HG2 GLU 567 5.455 11.776 1.129 441 HG3 GLU 567 HG3 GLU 567 4.378 12.153 -0.215 442 H ALA 568 HN ALA 568 3.601 9.847 0.531 443 HA ALA 568 HA ALA 568 1.625 10.137 -1.446 444 HB1 ALA 568 HB1 ALA 568 3.252 7.702 -0.701 445 HB2 ALA 568 HB2 ALA 568 3.720 8.953 -1.851 446 HB3 ALA 568 HB3 ALA 568 2.346 7.906 -2.200 447 H ALA 569 HN ALA 569 1.875 8.079 1.399 448 HA ALA 569 HA ALA 569 -0.575 6.705 1.037 449 HB1 ALA 569 HB1 ALA 569 0.958 7.187 3.586 450 HB2 ALA 569 HB2 ALA 569 1.264 5.879 2.445 451 HB3 ALA 569 HB3 ALA 569 -0.268 5.949 3.314 452 H GLN 570 HN GLN 570 0.327 9.582 2.919 453 HA GLN 570 HA GLN 570 -2.180 9.858 4.211 454 HB2 GLN 570 HB2 GLN 570 -0.110 11.987 3.637 455 HB3 GLN 570 HB3 GLN 570 -1.409 12.102 4.814 456 HG2 GLN 570 HG2 GLN 570 -0.432 10.281 6.091 457 HG3 GLN 570 HG3 GLN 570 0.855 10.126 4.896 458 HE21 GLN 570 HE21 GLN 570 2.493 10.574 6.317 459 HE22 GLN 570 HE22 GLN 570 2.740 12.143 7.003 460 H ALA 571 HN ALA 571 -0.794 11.389 1.324 461 HA ALA 571 HA ALA 571 -2.870 13.235 0.897 462 HB1 ALA 571 HB1 ALA 571 -1.940 13.513 -1.335 463 HB2 ALA 571 HB2 ALA 571 -0.987 12.041 -1.134 464 HB3 ALA 571 HB3 ALA 571 -0.657 13.450 -0.126 465 H MET 572 HN MET 572 -2.402 9.924 -0.243 466 HA MET 572 HA MET 572 -4.602 9.981 -2.037 467 HB2 MET 572 HB2 MET 572 -4.284 7.679 -2.349 468 HB3 MET 572 HB3 MET 572 -2.677 8.308 -2.036 469 HG2 MET 572 HG2 MET 572 -2.662 7.427 0.158 470 HG3 MET 572 HG3 MET 572 -4.383 7.050 0.089 471 HE1 MET 572 HE1 MET 572 -1.136 4.896 -2.338 472 HE2 MET 572 HE2 MET 572 -0.888 6.334 -1.347 473 HE3 MET 572 HE3 MET 572 -1.810 6.444 -2.846 474 H VAL 573 HN VAL 573 -4.223 8.904 1.308 475 HA VAL 573 HA VAL 573 -6.811 7.798 1.489 476 HB VAL 573 HB VAL 573 -4.924 8.655 3.680 477 HG11 VAL 573 HG11 VAL 573 -7.101 8.648 4.625 478 HG12 VAL 573 HG12 VAL 573 -6.372 7.101 5.056 479 HG13 VAL 573 HG13 VAL 573 -7.545 7.188 3.744 480 HG21 VAL 573 HG21 VAL 573 -4.078 6.861 2.264 481 HG22 VAL 573 HG22 VAL 573 -5.587 5.969 2.476 482 HG23 VAL 573 HG23 VAL 573 -4.518 6.236 3.855 483 H GLN 574 HN GLN 574 -5.518 11.002 2.265 484 HA GLN 574 HA GLN 574 -7.828 12.005 3.499 485 HB2 GLN 574 HB2 GLN 574 -5.793 13.438 1.781 486 HB3 GLN 574 HB3 GLN 574 -7.041 14.252 2.716 487 HG2 GLN 574 HG2 GLN 574 -4.813 12.551 3.809 488 HG3 GLN 574 HG3 GLN 574 -4.923 14.309 3.877 489 HE21 GLN 574 HE21 GLN 574 -6.124 11.312 5.144 490 HE22 GLN 574 HE22 GLN 574 -6.952 11.978 6.501 491 H TYR 575 HN TYR 575 -6.938 11.691 0.106 492 HA TYR 575 HA TYR 575 -9.333 12.828 -0.904 493 HB2 TYR 575 HB2 TYR 575 -7.296 12.566 -2.280 494 HB3 TYR 575 HB3 TYR 575 -7.515 10.818 -2.234 495 HD1 TYR 575 HD1 TYR 575 -9.163 13.968 -3.316 496 HD2 TYR 575 HD2 TYR 575 -8.880 9.754 -3.815 497 HE1 TYR 575 HE1 TYR 575 -10.623 14.109 -5.290 498 HE2 TYR 575 HE2 TYR 575 -10.335 9.884 -5.787 499 HH TYR 575 HH TYR 575 -11.930 11.282 -6.815 500 H TYR 576 HN TYR 576 -8.363 9.454 -0.266 501 HA TYR 576 HA TYR 576 -10.798 8.428 -1.351 502 HB2 TYR 576 HB2 TYR 576 -8.706 7.043 0.320 503 HB3 TYR 576 HB3 TYR 576 -10.027 6.243 -0.524 504 HD1 TYR 576 HD1 TYR 576 -6.801 6.241 -0.738 505 HD2 TYR 576 HD2 TYR 576 -10.015 7.718 -3.096 506 HE1 TYR 576 HE1 TYR 576 -5.395 6.089 -2.735 507 HE2 TYR 576 HE2 TYR 576 -8.616 7.573 -5.110 508 HH TYR 576 HH TYR 576 -5.741 5.863 -5.224 509 H GLN 577 HN GLN 577 -9.959 9.563 1.797 510 HA GLN 577 HA GLN 577 -12.069 8.171 3.129 511 HB2 GLN 577 HB2 GLN 577 -10.374 10.549 3.851 512 HB3 GLN 577 HB3 GLN 577 -11.728 10.057 4.866 513 HG2 GLN 577 HG2 GLN 577 -10.709 7.928 5.258 514 HG3 GLN 577 HG3 GLN 577 -9.445 8.268 4.078 515 HE21 GLN 577 HE21 GLN 577 -9.243 7.611 6.925 516 HE22 GLN 577 HE22 GLN 577 -8.355 8.910 7.636 517 H GLU 578 HN GLU 578 -11.841 11.065 1.242 518 HA GLU 578 HA GLU 578 -14.592 11.803 1.916 519 HB2 GLU 578 HB2 GLU 578 -12.444 13.257 0.369 520 HB3 GLU 578 HB3 GLU 578 -14.095 13.845 0.528 521 HG2 GLU 578 HG2 GLU 578 -13.827 13.955 2.950 522 HG3 GLU 578 HG3 GLU 578 -12.176 13.353 2.796 523 H LYS 579 HN LYS 579 -12.554 10.914 -0.823 524 HA LYS 579 HA LYS 579 -14.991 10.090 -2.268 525 HB2 LYS 579 HB2 LYS 579 -12.531 11.391 -3.451 526 HB3 LYS 579 HB3 LYS 579 -13.820 10.658 -4.389 527 HG2 LYS 579 HG2 LYS 579 -15.403 12.292 -3.421 528 HG3 LYS 579 HG3 LYS 579 -14.047 13.061 -2.592 529 HD2 LYS 579 HD2 LYS 579 -14.513 14.275 -4.618 530 HD3 LYS 579 HD3 LYS 579 -12.972 13.436 -4.795 531 HE2 LYS 579 HE2 LYS 579 -14.188 11.614 -5.993 532 HE3 LYS 579 HE3 LYS 579 -15.639 12.609 -5.934 533 HZ1 LYS 579 HZ1 LYS 579 -14.494 12.832 -8.043 534 HZ2 LYS 579 HZ2 LYS 579 -13.086 13.346 -7.259 535 HZ3 LYS 579 HZ3 LYS 579 -14.480 14.305 -7.208 536 HA PRO 580 HA PRO 580 -12.179 6.540 -1.519 537 HB2 PRO 580 HB2 PRO 580 -14.725 5.071 -1.352 538 HB3 PRO 580 HB3 PRO 580 -13.428 5.217 -0.156 539 HG2 PRO 580 HG2 PRO 580 -15.781 6.437 0.226 540 HG3 PRO 580 HG3 PRO 580 -14.255 7.226 0.695 541 HD2 PRO 580 HD2 PRO 580 -15.890 7.629 -1.797 542 HD3 PRO 580 HD3 PRO 580 -15.219 8.846 -0.684 543 H ALA 581 HN ALA 581 -11.881 4.489 -2.661 544 HA ALA 581 HA ALA 581 -12.527 4.881 -5.480 545 HB1 ALA 581 HB1 ALA 581 -10.168 4.548 -4.755 546 HB2 ALA 581 HB2 ALA 581 -10.721 3.389 -5.962 547 HB3 ALA 581 HB3 ALA 581 -10.599 2.906 -4.270 548 H ILE 582 HN ILE 582 -13.294 3.156 -6.801 549 HA ILE 582 HA ILE 582 -15.105 1.426 -5.253 550 HB ILE 582 HB ILE 582 -15.544 2.782 -7.915 551 HG12 ILE 582 HG12 ILE 582 -16.849 3.157 -5.215 552 HG13 ILE 582 HG13 ILE 582 -15.726 4.266 -5.975 553 HG21 ILE 582 HG21 ILE 582 -17.805 1.848 -7.845 554 HG22 ILE 582 HG22 ILE 582 -17.383 0.941 -6.393 555 HG23 ILE 582 HG23 ILE 582 -16.580 0.581 -7.921 556 HD11 ILE 582 HD11 ILE 582 -18.047 5.004 -6.158 557 HD12 ILE 582 HD12 ILE 582 -18.434 3.535 -7.052 558 HD13 ILE 582 HD13 ILE 582 -17.315 4.716 -7.736 559 H ILE 583 HN ILE 583 -14.963 -0.704 -5.543 560 HA ILE 583 HA ILE 583 -14.007 -1.686 -8.155 561 HB ILE 583 HB ILE 583 -13.639 -2.962 -5.437 562 HG12 ILE 583 HG12 ILE 583 -11.670 -2.016 -7.532 563 HG13 ILE 583 HG13 ILE 583 -11.953 -1.292 -5.951 564 HG21 ILE 583 HG21 ILE 583 -12.594 -4.847 -6.605 565 HG22 ILE 583 HG22 ILE 583 -13.049 -4.135 -8.153 566 HG23 ILE 583 HG23 ILE 583 -14.298 -4.674 -7.028 567 HD11 ILE 583 HD11 ILE 583 -10.803 -4.026 -6.473 568 HD12 ILE 583 HD12 ILE 583 -11.111 -3.332 -4.884 569 HD13 ILE 583 HD13 ILE 583 -9.910 -2.598 -5.946 570 H ASN 584 HN ASN 584 -15.523 -2.684 -9.285 571 HA ASN 584 HA ASN 584 -17.389 -3.814 -9.897 572 HB2 ASN 584 HB2 ASN 584 -17.097 -5.096 -7.175 573 HB3 ASN 584 HB3 ASN 584 -18.138 -5.682 -8.466 574 HD21 ASN 584 HD21 ASN 584 -15.949 -6.996 -7.118 575 HD22 ASN 584 HD22 ASN 584 -14.815 -7.434 -8.344 576 H GLY 585 HN GLY 585 -17.737 -1.253 -8.680 577 HA2 GLY 585 HA2 GLY 585 -19.615 0.038 -8.254 578 HA3 GLY 585 HA1 GLY 585 -20.558 -1.434 -8.102 579 H GLU 586 HN GLU 586 -17.884 -1.775 -6.178 580 HA GLU 586 HA GLU 586 -19.413 -0.949 -3.816 581 HB2 GLU 586 HB2 GLU 586 -17.044 -2.826 -4.018 582 HB3 GLU 586 HB3 GLU 586 -17.993 -2.502 -2.568 583 HG2 GLU 586 HG2 GLU 586 -19.982 -3.414 -3.706 584 HG3 GLU 586 HG3 GLU 586 -18.966 -3.807 -5.092 585 H LYS 587 HN LYS 587 -18.759 0.715 -2.639 586 HA LYS 587 HA LYS 587 -16.355 2.132 -3.410 587 HB2 LYS 587 HB2 LYS 587 -18.309 2.834 -1.216 588 HB3 LYS 587 HB3 LYS 587 -17.139 3.900 -1.973 589 HG2 LYS 587 HG2 LYS 587 -18.366 3.772 -4.077 590 HG3 LYS 587 HG3 LYS 587 -19.535 2.679 -3.328 591 HD2 LYS 587 HD2 LYS 587 -20.019 4.472 -1.653 592 HD3 LYS 587 HD3 LYS 587 -18.989 5.553 -2.591 593 HE2 LYS 587 HE2 LYS 587 -21.500 4.190 -3.553 594 HE3 LYS 587 HE3 LYS 587 -21.330 5.896 -3.146 595 HZ1 LYS 587 HZ1 LYS 587 -21.204 5.660 -5.496 596 HZ2 LYS 587 HZ2 LYS 587 -20.027 4.457 -5.384 597 HZ3 LYS 587 HZ3 LYS 587 -19.656 6.046 -4.942 598 H LEU 588 HN LEU 588 -14.506 1.374 -2.615 599 HA LEU 588 HA LEU 588 -14.414 0.109 -0.008 600 HB2 LEU 588 HB2 LEU 588 -12.126 0.774 -1.857 601 HB3 LEU 588 HB1 LEU 588 -12.093 -0.319 -0.488 602 HG LEU 588 HG LEU 588 -13.582 -0.758 -3.072 603 HD11 LEU 588 HD11 LEU 588 -11.128 -2.002 -1.856 604 HD12 LEU 588 HD12 LEU 588 -11.219 -1.036 -3.328 605 HD13 LEU 588 HD13 LEU 588 -11.969 -2.632 -3.272 606 HD21 LEU 588 HD21 LEU 588 -14.092 -2.979 -2.161 607 HD22 LEU 588 HD22 LEU 588 -14.826 -1.698 -1.196 608 HD23 LEU 588 HD23 LEU 588 -13.370 -2.511 -0.621 609 H LEU 589 HN LEU 589 -13.904 1.144 1.817 610 HA LEU 589 HA LEU 589 -12.998 3.874 1.666 611 HB2 LEU 589 HB2 LEU 589 -14.609 3.123 3.401 612 HB3 LEU 589 HB1 LEU 589 -13.359 2.104 4.087 613 HG LEU 589 HG LEU 589 -12.029 4.071 4.658 614 HD11 LEU 589 HD11 LEU 589 -12.972 6.324 4.385 615 HD12 LEU 589 HD12 LEU 589 -14.312 5.640 3.465 616 HD13 LEU 589 HD13 LEU 589 -12.668 5.540 2.835 617 HD21 LEU 589 HD21 LEU 589 -13.503 5.007 6.369 618 HD22 LEU 589 HD22 LEU 589 -13.657 3.253 6.274 619 HD23 LEU 589 HD23 LEU 589 -14.897 4.286 5.563 620 H ILE 590 HN ILE 590 -10.995 4.198 1.135 621 HA ILE 590 HA ILE 590 -8.891 2.341 1.954 622 HB ILE 590 HB ILE 590 -8.780 4.772 0.146 623 HG12 ILE 590 HG12 ILE 590 -8.905 1.847 -0.592 624 HG13 ILE 590 HG13 ILE 590 -10.185 3.025 -0.821 625 HG21 ILE 590 HG21 ILE 590 -6.623 3.838 -0.610 626 HG22 ILE 590 HG22 ILE 590 -6.745 2.616 0.657 627 HG23 ILE 590 HG23 ILE 590 -6.619 4.322 1.085 628 HD11 ILE 590 HD11 ILE 590 -8.771 4.258 -2.395 629 HD12 ILE 590 HD12 ILE 590 -9.011 2.586 -2.903 630 HD13 ILE 590 HD13 ILE 590 -7.487 3.071 -2.163 631 H ARG 591 HN ARG 591 -7.810 2.774 3.804 632 HA ARG 591 HA ARG 591 -7.665 5.547 4.723 633 HB2 ARG 591 HB2 ARG 591 -8.539 4.774 6.993 634 HB3 ARG 591 HB3 ARG 591 -9.703 4.999 5.696 635 HG2 ARG 591 HG2 ARG 591 -9.629 2.555 5.280 636 HG3 ARG 591 HG3 ARG 591 -8.583 2.391 6.694 637 HD2 ARG 591 HD2 ARG 591 -10.306 3.286 8.124 638 HD3 ARG 591 HD3 ARG 591 -11.337 3.618 6.735 639 HE ARG 591 HE ARG 591 -10.684 0.868 6.828 640 HH11 ARG 591 HH11 ARG 591 -12.665 3.263 8.434 641 HH12 ARG 591 HH12 ARG 591 -13.876 2.120 8.922 642 HH21 ARG 591 HH21 ARG 591 -12.275 -0.644 7.495 643 HH22 ARG 591 HH22 ARG 591 -13.649 -0.092 8.399 644 H MET 592 HN MET 592 -6.385 5.911 6.606 645 HA MET 592 HA MET 592 -3.821 4.745 6.298 646 HB2 MET 592 HB2 MET 592 -4.851 6.531 8.514 647 HB3 MET 592 HB3 MET 592 -3.166 6.224 8.146 648 HG2 MET 592 HG2 MET 592 -4.727 7.311 5.904 649 HG3 MET 592 HG3 MET 592 -4.584 8.367 7.305 650 HE1 MET 592 HE1 MET 592 -2.499 6.277 4.650 651 HE2 MET 592 HE2 MET 592 -1.920 5.690 6.208 652 HE3 MET 592 HE3 MET 592 -0.857 6.645 5.172 653 H SER 593 HN SER 593 -2.873 3.071 7.348 654 HA SER 593 HA SER 593 -4.300 1.753 9.511 655 HB2 SER 593 HB2 SER 593 -1.610 1.037 8.323 656 HB3 SER 593 HB3 SER 593 -2.640 0.006 9.315 657 HG SER 593 HG SER 593 -2.759 0.561 6.638 658 H THR 594 HN THR 594 -3.860 1.994 11.611 659 HA THR 594 HA THR 594 -1.647 3.706 12.400 660 HB THR 594 HB THR 594 -2.654 3.311 14.731 661 HG1 THR 594 HG1 THR 594 -4.931 2.485 13.245 662 HG21 THR 594 HG21 THR 594 -4.478 4.919 14.324 663 HG22 THR 594 HG22 THR 594 -4.307 4.654 12.589 664 HG23 THR 594 HG23 THR 594 -2.988 5.385 13.503 665 H ARG 595 HN ARG 595 -2.543 0.367 12.359 666 HA ARG 595 HA ARG 595 -0.674 -0.521 14.329 667 HB2 ARG 595 HB2 ARG 595 -2.281 -1.954 12.222 668 HB3 ARG 595 HB3 ARG 595 -1.154 -2.796 13.274 669 HG2 ARG 595 HG2 ARG 595 -2.411 -2.158 15.219 670 HG3 ARG 595 HG3 ARG 595 -3.479 -1.150 14.244 671 HD2 ARG 595 HD2 ARG 595 -4.511 -3.303 14.806 672 HD3 ARG 595 HD3 ARG 595 -4.297 -3.108 13.070 673 HE ARG 595 HE ARG 595 -2.099 -4.493 14.227 674 HH11 ARG 595 HH11 ARG 595 -5.417 -4.889 13.183 675 HH12 ARG 595 HH12 ARG 595 -5.268 -6.599 12.912 676 HH21 ARG 595 HH21 ARG 595 -1.897 -6.761 13.864 677 HH22 ARG 595 HH22 ARG 595 -3.274 -7.659 13.306 678 H TYR 596 HN TYR 596 -0.636 -0.304 10.791 679 HA TYR 596 HA TYR 596 2.105 -1.374 10.834 680 HB2 TYR 596 HB2 TYR 596 0.093 -1.170 8.586 681 HB3 TYR 596 HB3 TYR 596 1.760 -1.679 8.361 682 HD1 TYR 596 HD1 TYR 596 2.315 -3.919 8.533 683 HD2 TYR 596 HD2 TYR 596 -1.347 -2.579 10.230 684 HE1 TYR 596 HE1 TYR 596 1.669 -6.249 8.962 685 HE2 TYR 596 HE2 TYR 596 -2.002 -4.909 10.672 686 HH TYR 596 HH TYR 596 -1.493 -7.157 9.819 687 H LYS 597 HN LYS 597 3.736 -0.036 10.497 688 HA LYS 597 HA LYS 597 3.325 2.515 9.130 689 HB2 LYS 597 HB2 LYS 597 5.805 1.341 10.398 690 HB3 LYS 597 HB3 LYS 597 5.686 2.951 9.705 691 HG2 LYS 597 HG2 LYS 597 3.975 3.513 11.392 692 HG3 LYS 597 HG3 LYS 597 4.206 1.919 12.116 693 HD2 LYS 597 HD2 LYS 597 6.315 4.060 11.819 694 HD3 LYS 597 HD3 LYS 597 5.487 3.622 13.314 695 HE2 LYS 597 HE2 LYS 597 6.440 1.380 13.195 696 HE3 LYS 597 HE3 LYS 597 7.241 1.788 11.682 697 HZ1 LYS 597 HZ1 LYS 597 7.757 3.061 14.311 698 HZ2 LYS 597 HZ2 LYS 597 8.519 3.466 12.856 699 HZ3 LYS 597 HZ3 LYS 597 8.758 1.940 13.539 700 H GLU 598 HN GLU 598 4.847 -0.587 8.803 701 HA GLU 598 HA GLU 598 5.401 -0.133 5.980 702 HB2 GLU 598 HB2 GLU 598 7.719 -1.123 6.374 703 HB3 GLU 598 HB3 GLU 598 7.481 0.533 6.924 704 HG2 GLU 598 HG2 GLU 598 7.087 -0.314 9.206 705 HG3 GLU 598 HG3 GLU 598 7.422 -1.945 8.635 706 H LEU 599 HN LEU 599 5.450 -2.046 4.774 707 HA LEU 599 HA LEU 599 4.391 -4.379 6.180 708 HB2 LEU 599 HB2 LEU 599 4.637 -3.786 3.234 709 HB3 LEU 599 HB1 LEU 599 3.969 -5.261 3.907 710 HG LEU 599 HG LEU 599 2.816 -2.510 4.391 711 HD11 LEU 599 HD11 LEU 599 2.660 -3.214 2.026 712 HD12 LEU 599 HD12 LEU 599 1.093 -3.109 2.827 713 HD13 LEU 599 HD13 LEU 599 1.838 -4.683 2.555 714 HD21 LEU 599 HD21 LEU 599 0.916 -3.693 5.261 715 HD22 LEU 599 HD22 LEU 599 2.359 -4.216 6.131 716 HD23 LEU 599 HD23 LEU 599 1.656 -5.242 4.877 717 H GLN 600 HN GLN 600 5.876 -5.648 6.999 718 HA GLN 600 HA GLN 600 8.404 -6.072 5.634 719 HB2 GLN 600 HB2 GLN 600 7.348 -7.034 8.296 720 HB3 GLN 600 HB3 GLN 600 8.924 -7.480 7.656 721 HG2 GLN 600 HG2 GLN 600 8.097 -4.622 8.055 722 HG3 GLN 600 HG3 GLN 600 8.852 -5.579 9.327 723 HE21 GLN 600 HE21 GLN 600 10.650 -4.254 9.396 724 HE22 GLN 600 HE22 GLN 600 11.847 -4.246 8.160 725 H LEU 601 HN LEU 601 7.790 -7.188 3.825 726 HA LEU 601 HA LEU 601 6.099 -9.424 3.736 727 HB2 LEU 601 HB2 LEU 601 8.433 -8.779 1.928 728 HB3 LEU 601 HB1 LEU 601 7.124 -9.884 1.559 729 HG LEU 601 HG LEU 601 6.845 -6.900 1.940 730 HD11 LEU 601 HD11 LEU 601 6.353 -6.894 -0.466 731 HD12 LEU 601 HD12 LEU 601 6.738 -8.614 -0.536 732 HD13 LEU 601 HD13 LEU 601 7.992 -7.447 -0.121 733 HD21 LEU 601 HD21 LEU 601 4.852 -8.111 2.660 734 HD22 LEU 601 HD22 LEU 601 4.811 -8.972 1.123 735 HD23 LEU 601 HD23 LEU 601 4.554 -7.228 1.163 736 H LYS 602 HN LYS 602 6.361 -11.415 4.466 737 HA LYS 602 HA LYS 602 8.871 -12.168 5.667 738 HB2 LYS 602 HB2 LYS 602 6.241 -13.644 5.482 739 HB3 LYS 602 HB3 LYS 602 7.624 -14.159 6.441 740 HG2 LYS 602 HG2 LYS 602 7.459 -12.141 7.790 741 HG3 LYS 602 HG3 LYS 602 6.096 -11.591 6.813 742 HD2 LYS 602 HD2 LYS 602 4.833 -13.591 7.503 743 HD3 LYS 602 HD3 LYS 602 6.186 -14.071 8.528 744 HE2 LYS 602 HE2 LYS 602 5.946 -12.013 9.817 745 HE3 LYS 602 HE3 LYS 602 4.610 -11.511 8.781 746 HZ1 LYS 602 HZ1 LYS 602 3.360 -13.438 9.529 747 HZ2 LYS 602 HZ2 LYS 602 3.814 -12.475 10.842 748 HZ3 LYS 602 HZ3 LYS 602 4.642 -13.914 10.524 749 H LYS 603 HN LYS 603 9.834 -12.041 3.444 750 HA LYS 603 HA LYS 603 9.502 -14.454 1.846 751 HB2 LYS 603 HB2 LYS 603 11.239 -12.002 1.502 752 HB3 LYS 603 HB3 LYS 603 11.233 -13.362 0.389 753 HG2 LYS 603 HG2 LYS 603 8.877 -11.595 1.019 754 HG3 LYS 603 HG3 LYS 603 9.876 -11.511 -0.430 755 HD2 LYS 603 HD2 LYS 603 9.240 -13.960 -0.794 756 HD3 LYS 603 HD3 LYS 603 7.995 -13.689 0.425 757 HE2 LYS 603 HE2 LYS 603 8.312 -12.218 -2.186 758 HE3 LYS 603 HE3 LYS 603 7.066 -13.398 -1.789 759 HZ1 LYS 603 HZ1 LYS 603 7.429 -10.756 -0.487 760 HZ2 LYS 603 HZ2 LYS 603 6.238 -11.886 -0.089 761 HZ3 LYS 603 HZ3 LYS 603 6.230 -11.149 -1.610 762 HA PRO 604 HA PRO 604 12.826 -16.615 3.816 763 HB2 PRO 604 HB2 PRO 604 13.585 -18.212 1.731 764 HB3 PRO 604 HB3 PRO 604 12.160 -18.511 2.727 765 HG2 PRO 604 HG2 PRO 604 12.355 -17.242 0.029 766 HG3 PRO 604 HG3 PRO 604 11.151 -18.390 0.644 767 HD2 PRO 604 HD2 PRO 604 10.659 -15.742 0.454 768 HD3 PRO 604 HD3 PRO 604 9.957 -16.749 1.735 769 H GLY 605 HN GLY 605 13.276 -14.745 0.946 770 HA2 GLY 605 HA2 GLY 605 16.193 -14.920 1.181 771 HA3 GLY 605 HA1 GLY 605 15.307 -14.216 -0.164 772 H LYS 606 HN LYS 606 13.666 -12.438 0.961 773 HA LYS 606 HA LYS 606 13.455 -10.367 1.862 774 HB2 LYS 606 HB2 LYS 606 15.905 -11.117 3.467 775 HB3 LYS 606 HB3 LYS 606 14.991 -9.632 3.686 776 HG2 LYS 606 HG2 LYS 606 13.871 -12.403 4.043 777 HG3 LYS 606 HG3 LYS 606 14.461 -11.374 5.349 778 HD2 LYS 606 HD2 LYS 606 12.782 -9.663 4.659 779 HD3 LYS 606 HD3 LYS 606 12.138 -10.831 3.504 780 HE2 LYS 606 HE2 LYS 606 10.828 -10.830 5.558 781 HE3 LYS 606 HE3 LYS 606 11.645 -12.375 5.330 782 HZ1 LYS 606 HZ1 LYS 606 13.306 -11.725 6.923 783 HZ2 LYS 606 HZ2 LYS 606 11.776 -11.561 7.622 784 HZ3 LYS 606 HZ3 LYS 606 12.612 -10.192 7.094 785 H ASN 607 HN ASN 607 16.980 -10.756 1.771 786 HA ASN 607 HA ASN 607 17.264 -8.219 0.416 787 HB2 ASN 607 HB2 ASN 607 19.280 -10.273 1.355 788 HB3 ASN 607 HB3 ASN 607 19.728 -8.790 0.524 789 HD21 ASN 607 HD21 ASN 607 20.894 -7.977 2.215 790 HD22 ASN 607 HD22 ASN 607 20.164 -7.410 3.679 791 H VAL 608 HN VAL 608 17.384 -7.962 -1.716 792 HA VAL 608 HA VAL 608 17.433 -10.130 -3.553 793 HB VAL 608 HB VAL 608 18.187 -7.252 -4.115 794 HG11 VAL 608 HG11 VAL 608 18.795 -8.812 -5.888 795 HG12 VAL 608 HG12 VAL 608 17.477 -7.757 -6.399 796 HG13 VAL 608 HG13 VAL 608 17.139 -9.423 -5.929 797 HG21 VAL 608 HG21 VAL 608 15.997 -7.357 -3.033 798 HG22 VAL 608 HG22 VAL 608 15.460 -8.533 -4.232 799 HG23 VAL 608 HG23 VAL 608 15.855 -6.888 -4.727 800 H ALA 609 HN ALA 609 19.840 -7.631 -2.779 801 HA ALA 609 HA ALA 609 21.880 -9.740 -2.694 802 HB1 ALA 609 HB1 ALA 609 22.143 -7.044 -4.007 803 HB2 ALA 609 HB2 ALA 609 22.203 -8.617 -4.802 804 HB3 ALA 609 HB3 ALA 609 23.491 -8.138 -3.694 805 H ALA 610 HN ALA 610 21.020 -6.377 -1.914 806 HA ALA 610 HA ALA 610 21.832 -6.689 0.822 807 HB1 ALA 610 HB1 ALA 610 24.023 -6.331 -0.248 808 HB2 ALA 610 HB2 ALA 610 23.589 -5.023 0.851 809 HB3 ALA 610 HB3 ALA 610 23.438 -4.795 -0.892 810 H ILE 611 HN ILE 611 20.016 -5.820 1.630 811 HA ILE 611 HA ILE 611 18.701 -3.583 0.400 812 HB ILE 611 HB ILE 611 18.191 -4.876 3.087 813 HG12 ILE 611 HG12 ILE 611 16.774 -5.229 0.436 814 HG13 ILE 611 HG13 ILE 611 17.884 -6.390 1.153 815 HG21 ILE 611 HG21 ILE 611 15.997 -3.764 2.956 816 HG22 ILE 611 HG22 ILE 611 16.523 -2.938 1.489 817 HG23 ILE 611 HG23 ILE 611 17.329 -2.609 3.022 818 HD11 ILE 611 HD11 ILE 611 15.247 -5.517 2.307 819 HD12 ILE 611 HD12 ILE 611 16.361 -6.671 3.041 820 HD13 ILE 611 HD13 ILE 611 15.583 -7.051 1.504 821 H ILE 612 HN ILE 612 20.157 -1.894 0.413 822 HA ILE 612 HA ILE 612 21.139 -0.974 3.008 823 HB ILE 612 HB ILE 612 21.879 -0.047 0.231 824 HG12 ILE 612 HG12 ILE 612 23.381 -1.811 2.180 825 HG13 ILE 612 HG13 ILE 612 22.567 -2.370 0.725 826 HG21 ILE 612 HG21 ILE 612 23.114 0.596 2.912 827 HG22 ILE 612 HG22 ILE 612 22.180 1.704 1.908 828 HG23 ILE 612 HG23 ILE 612 23.740 1.106 1.344 829 HD11 ILE 612 HD11 ILE 612 24.950 -2.199 0.369 830 HD12 ILE 612 HD12 ILE 612 24.918 -0.498 0.836 831 HD13 ILE 612 HD13 ILE 612 24.093 -1.025 -0.631 832 H GLN 613 HN GLN 613 19.425 0.021 3.914 833 HA GLN 613 HA GLN 613 17.920 2.035 2.474 834 HB2 GLN 613 HB2 GLN 613 17.815 0.974 5.299 835 HB3 GLN 613 HB3 GLN 613 16.816 2.315 4.753 836 HG2 GLN 613 HG2 GLN 613 15.528 0.980 3.393 837 HG3 GLN 613 HG3 GLN 613 16.782 -0.248 3.230 838 HE21 GLN 613 HE21 GLN 613 16.003 1.056 6.343 839 HE22 GLN 613 HE22 GLN 613 15.211 -0.353 6.954 840 H ASP 614 HN ASP 614 19.606 3.488 1.991 841 HA ASP 614 HA ASP 614 21.329 4.554 3.985 842 HB2 ASP 614 HB2 ASP 614 21.994 4.484 1.638 843 HB3 ASP 614 HB3 ASP 614 20.685 5.579 1.212 844 H ILE 615 HN ILE 615 19.171 6.569 1.987 845 HA ILE 615 HA ILE 615 18.486 8.060 4.422 846 HB ILE 615 HB ILE 615 18.138 8.829 1.515 847 HG12 ILE 615 HG12 ILE 615 20.465 8.913 2.280 848 HG13 ILE 615 HG13 ILE 615 19.842 10.537 2.009 849 HG21 ILE 615 HG21 ILE 615 16.331 9.748 2.864 850 HG22 ILE 615 HG22 ILE 615 17.436 11.024 2.349 851 HG23 ILE 615 HG23 ILE 615 17.503 10.413 4.002 852 HD11 ILE 615 HD11 ILE 615 21.177 10.460 4.019 853 HD12 ILE 615 HD12 ILE 615 20.166 9.173 4.672 854 HD13 ILE 615 HD13 ILE 615 19.492 10.784 4.423 855 H HIS 616 HN HIS 616 16.719 7.434 1.400 856 HA HIS 616 HA HIS 616 14.706 5.964 2.956 857 HB2 HIS 616 HB2 HIS 616 14.050 7.964 0.773 858 HB3 HIS 616 HB3 HIS 616 12.894 6.950 1.626 859 HD1 HIS 616 HD1 HIS 616 13.864 10.289 1.546 860 HD2 HIS 616 HD2 HIS 616 13.288 7.583 4.650 861 HE1 HIS 616 HE1 HIS 616 13.462 11.686 3.599 862 HE2 HIS 616 HE2 HIS 616 13.218 10.030 5.480 863 H SER 617 HN SER 617 15.661 6.901 -0.322 864 HA SER 617 HA SER 617 14.712 4.669 -1.681 865 HB2 SER 617 HB2 SER 617 17.138 6.354 -2.345 866 HB3 SER 617 HB3 SER 617 16.191 5.387 -3.477 867 HG SER 617 HG SER 617 15.675 7.681 -3.417 868 H GLN 618 HN GLN 618 15.416 2.663 -1.927 869 HA GLN 618 HA GLN 618 17.646 1.726 -0.359 870 HB2 GLN 618 HB2 GLN 618 15.838 0.212 -2.259 871 HB3 GLN 618 HB3 GLN 618 16.919 -0.498 -1.067 872 HG2 GLN 618 HG2 GLN 618 15.608 0.383 0.735 873 HG3 GLN 618 HG3 GLN 618 14.606 1.303 -0.386 874 HE21 GLN 618 HE21 GLN 618 15.308 -1.822 0.925 875 HE22 GLN 618 HE22 GLN 618 13.922 -2.635 0.293 876 H ARG 619 HN ARG 619 16.810 0.806 -3.672 877 HA ARG 619 HA ARG 619 18.013 0.570 -5.574 878 HB2 ARG 619 HB2 ARG 619 19.346 3.063 -4.517 879 HB3 ARG 619 HB3 ARG 619 19.493 2.469 -6.165 880 HG2 ARG 619 HG2 ARG 619 17.049 2.721 -6.428 881 HG3 ARG 619 HG3 ARG 619 16.980 3.416 -4.809 882 HD2 ARG 619 HD2 ARG 619 18.470 5.216 -5.511 883 HD3 ARG 619 HD3 ARG 619 18.563 4.515 -7.126 884 HE ARG 619 HE ARG 619 15.899 5.169 -6.188 885 HH11 ARG 619 HH11 ARG 619 18.704 6.195 -8.011 886 HH12 ARG 619 HH12 ARG 619 17.832 7.380 -8.929 887 HH21 ARG 619 HH21 ARG 619 14.745 6.732 -7.395 888 HH22 ARG 619 HH22 ARG 619 15.580 7.683 -8.586 889 H GLU 620 HN GLU 620 18.924 -1.327 -4.108 890 HA GLU 620 HA GLU 620 21.690 -1.186 -3.462 891 HB2 GLU 620 HB2 GLU 620 21.570 -3.690 -3.453 892 HB3 GLU 620 HB3 GLU 620 20.408 -2.894 -2.405 893 HG2 GLU 620 HG2 GLU 620 18.633 -3.609 -3.598 894 HG3 GLU 620 HG3 GLU 620 19.493 -3.533 -5.134 895 H ARG 621 HN ARG 621 23.472 -1.707 -4.622 896 HA ARG 621 HA ARG 621 24.822 -1.913 -6.429 897 HB2 ARG 621 HB2 ARG 621 22.603 -3.772 -7.272 898 HB3 ARG 621 HB3 ARG 621 24.102 -3.595 -8.171 899 HG2 ARG 621 HG2 ARG 621 25.374 -4.383 -6.276 900 HG3 ARG 621 HG3 ARG 621 23.906 -4.471 -5.299 901 HD2 ARG 621 HD2 ARG 621 24.322 -6.019 -7.850 902 HD3 ARG 621 HD3 ARG 621 24.678 -6.659 -6.245 903 HE ARG 621 HE ARG 621 22.138 -5.919 -5.941 904 HH11 ARG 621 HH11 ARG 621 23.664 -7.680 -8.557 905 HH12 ARG 621 HH12 ARG 621 22.252 -8.615 -8.917 906 HH21 ARG 621 HH21 ARG 621 20.301 -7.157 -6.369 907 HH22 ARG 621 HH22 ARG 621 20.332 -8.337 -7.652 Start of MODEL 3 1 H1 GLY 510 HT1 GLY 510 17.151 -3.942 3.941 2 H2 GLY 510 HT2 GLY 510 16.699 -5.551 4.183 3 H3 GLY 510 HT3 GLY 510 15.550 -4.320 4.321 4 HA2 GLY 510 HA1 GLY 510 16.965 -5.096 1.838 5 HA3 GLY 510 HA2 GLY 510 15.301 -5.499 2.234 6 H ALA 511 HN ALA 511 16.338 -3.972 -0.028 7 HA ALA 511 HA ALA 511 15.366 -1.264 0.528 8 HB1 ALA 511 HB1 ALA 511 16.727 -2.352 -1.935 9 HB2 ALA 511 HB2 ALA 511 17.523 -1.491 -0.619 10 HB3 ALA 511 HB3 ALA 511 16.333 -0.662 -1.622 11 H MET 512 HN MET 512 13.678 -3.723 0.248 12 HA MET 512 HA MET 512 12.364 -3.731 -2.240 13 HB2 MET 512 HB2 MET 512 12.272 -5.606 -0.642 14 HB3 MET 512 HB3 MET 512 11.315 -4.617 0.454 15 HG2 MET 512 HG2 MET 512 9.538 -4.484 -1.207 16 HG3 MET 512 HG3 MET 512 10.499 -5.460 -2.317 17 HE1 MET 512 HE1 MET 512 7.704 -7.961 -1.372 18 HE2 MET 512 HE2 MET 512 8.524 -7.075 -2.657 19 HE3 MET 512 HE3 MET 512 7.487 -6.218 -1.518 20 H ALA 513 HN ALA 513 11.795 -1.932 0.727 21 HA ALA 513 HA ALA 513 10.051 -0.148 -0.790 22 HB1 ALA 513 HB1 ALA 513 9.249 -1.279 1.883 23 HB2 ALA 513 HB2 ALA 513 8.546 -1.730 0.329 24 HB3 ALA 513 HB3 ALA 513 8.366 -0.081 0.935 25 H GLN 514 HN GLN 514 9.310 1.616 0.992 26 HA GLN 514 HA GLN 514 9.855 3.283 2.415 27 HB2 GLN 514 HB2 GLN 514 12.116 1.443 3.187 28 HB3 GLN 514 HB3 GLN 514 11.849 3.011 3.939 29 HG2 GLN 514 HG2 GLN 514 9.982 0.651 3.950 30 HG3 GLN 514 HG3 GLN 514 10.876 1.316 5.320 31 HE21 GLN 514 HE21 GLN 514 7.982 0.953 4.916 32 HE22 GLN 514 HE22 GLN 514 7.284 2.515 5.129 33 H ARG 515 HN ARG 515 10.337 5.056 1.444 34 HA ARG 515 HA ARG 515 12.945 5.292 0.102 35 HB2 ARG 515 HB2 ARG 515 10.289 6.374 -0.835 36 HB3 ARG 515 HB3 ARG 515 11.836 6.626 -1.642 37 HG2 ARG 515 HG2 ARG 515 10.421 3.979 -1.264 38 HG3 ARG 515 HG3 ARG 515 10.581 4.888 -2.775 39 HD2 ARG 515 HD2 ARG 515 13.037 4.649 -2.612 40 HD3 ARG 515 HD3 ARG 515 12.820 3.667 -1.165 41 HE ARG 515 HE ARG 515 11.795 2.888 -3.826 42 HH11 ARG 515 HH11 ARG 515 13.254 2.093 -0.731 43 HH12 ARG 515 HH12 ARG 515 13.483 0.419 -1.131 44 HH21 ARG 515 HH21 ARG 515 12.087 0.658 -4.330 45 HH22 ARG 515 HH22 ARG 515 12.822 -0.394 -3.160 46 H LYS 516 HN LYS 516 10.324 6.889 1.806 47 HA LYS 516 HA LYS 516 11.986 9.252 2.210 48 HB2 LYS 516 HB2 LYS 516 9.148 8.611 2.989 49 HB3 LYS 516 HB3 LYS 516 9.976 10.060 3.540 50 HG2 LYS 516 HG2 LYS 516 9.476 9.302 0.679 51 HG3 LYS 516 HG3 LYS 516 8.568 10.500 1.602 52 HD2 LYS 516 HD2 LYS 516 10.710 11.750 1.930 53 HD3 LYS 516 HD3 LYS 516 11.483 10.611 0.828 54 HE2 LYS 516 HE2 LYS 516 10.868 12.629 -0.357 55 HE3 LYS 516 HE3 LYS 516 9.907 11.270 -0.936 56 HZ1 LYS 516 HZ1 LYS 516 8.505 13.168 -0.654 57 HZ2 LYS 516 HZ2 LYS 516 9.026 13.394 0.939 58 HZ3 LYS 516 HZ3 LYS 516 8.099 12.036 0.539 59 H GLY 517 HN GLY 517 12.354 6.439 3.452 60 HA2 GLY 517 HA2 GLY 517 13.082 5.563 5.445 61 HA3 GLY 517 HA1 GLY 517 13.568 7.207 5.834 62 H ALA 518 HN ALA 518 10.283 6.111 5.262 63 HA ALA 518 HA ALA 518 9.588 6.186 8.060 64 HB1 ALA 518 HB1 ALA 518 8.510 8.290 6.179 65 HB2 ALA 518 HB2 ALA 518 9.618 8.572 7.521 66 HB3 ALA 518 HB3 ALA 518 7.975 8.019 7.836 67 H GLY 519 HN GLY 519 7.751 6.894 5.111 68 HA2 GLY 519 HA2 GLY 519 6.236 5.659 3.915 69 HA3 GLY 519 HA1 GLY 519 6.888 4.225 4.690 70 H ARG 520 HN ARG 520 4.282 4.261 4.170 71 HA ARG 520 HA ARG 520 3.129 4.082 6.804 72 HB2 ARG 520 HB2 ARG 520 2.043 6.022 4.764 73 HB3 ARG 520 HB3 ARG 520 1.041 5.344 6.035 74 HG2 ARG 520 HG2 ARG 520 2.619 6.317 7.697 75 HG3 ARG 520 HG3 ARG 520 3.446 7.119 6.359 76 HD2 ARG 520 HD2 ARG 520 1.376 8.263 5.761 77 HD3 ARG 520 HD3 ARG 520 0.537 7.447 7.078 78 HE ARG 520 HE ARG 520 2.838 9.158 7.685 79 HH11 ARG 520 HH11 ARG 520 -0.614 8.579 7.833 80 HH12 ARG 520 HH12 ARG 520 -0.891 9.781 9.050 81 HH21 ARG 520 HH21 ARG 520 2.467 10.755 9.268 82 HH22 ARG 520 HH22 ARG 520 0.857 11.028 9.853 83 H VAL 521 HN VAL 521 1.566 2.552 6.883 84 HA VAL 521 HA VAL 521 0.992 1.150 4.392 85 HB VAL 521 HB VAL 521 0.429 0.351 7.256 86 HG11 VAL 521 HG11 VAL 521 0.008 -1.198 4.700 87 HG12 VAL 521 HG12 VAL 521 -1.257 -0.574 5.759 88 HG13 VAL 521 HG13 VAL 521 -0.172 -1.841 6.332 89 HG21 VAL 521 HG21 VAL 521 2.144 -1.384 6.792 90 HG22 VAL 521 HG22 VAL 521 2.774 0.263 6.775 91 HG23 VAL 521 HG23 VAL 521 2.477 -0.582 5.256 92 H VAL 522 HN VAL 522 -0.892 1.239 3.433 93 HA VAL 522 HA VAL 522 -3.053 2.724 4.739 94 HB VAL 522 HB VAL 522 -2.719 1.982 1.824 95 HG11 VAL 522 HG11 VAL 522 -4.508 3.575 1.434 96 HG12 VAL 522 HG12 VAL 522 -4.692 3.791 3.175 97 HG13 VAL 522 HG13 VAL 522 -5.034 2.224 2.436 98 HG21 VAL 522 HG21 VAL 522 -2.223 4.362 1.492 99 HG22 VAL 522 HG22 VAL 522 -1.025 3.580 2.524 100 HG23 VAL 522 HG23 VAL 522 -2.272 4.604 3.237 101 H HIS 523 HN HIS 523 -4.941 1.785 5.207 102 HA HIS 523 HA HIS 523 -5.137 -1.108 4.724 103 HB2 HIS 523 HB2 HIS 523 -5.016 -0.449 7.091 104 HB3 HIS 523 HB3 HIS 523 -6.415 0.595 6.880 105 HD1 HIS 523 HD1 HIS 523 -8.240 -0.491 8.141 106 HD2 HIS 523 HD2 HIS 523 -6.038 -3.232 5.931 107 HE1 HIS 523 HE1 HIS 523 -9.358 -2.707 8.506 108 HE2 HIS 523 HE2 HIS 523 -7.859 -4.371 7.365 109 H ILE 524 HN ILE 524 -6.602 -1.734 3.316 110 HA ILE 524 HA ILE 524 -8.735 0.140 2.586 111 HB ILE 524 HB ILE 524 -7.607 -2.215 1.074 112 HG12 ILE 524 HG12 ILE 524 -7.465 0.756 0.539 113 HG13 ILE 524 HG13 ILE 524 -6.149 -0.224 1.173 114 HG21 ILE 524 HG21 ILE 524 -9.838 -0.323 0.365 115 HG22 ILE 524 HG22 ILE 524 -9.924 -2.079 0.543 116 HG23 ILE 524 HG23 ILE 524 -9.027 -1.371 -0.799 117 HD11 ILE 524 HD11 ILE 524 -6.042 -1.463 -0.890 118 HD12 ILE 524 HD12 ILE 524 -5.914 0.265 -1.213 119 HD13 ILE 524 HD13 ILE 524 -7.430 -0.581 -1.523 120 H CYS 525 HN CYS 525 -10.771 -0.295 3.042 121 HA CYS 525 HA CYS 525 -11.365 -2.921 4.236 122 HB2 CYS 525 HB2 CYS 525 -12.688 -0.273 4.848 123 HB3 CYS 525 HB3 CYS 525 -12.914 -1.791 5.704 124 HG CYS 525 HG CYS 525 -11.439 -0.205 7.387 125 H ASN 526 HN ASN 526 -13.816 -3.307 4.277 126 HA ASN 526 HA ASN 526 -15.762 -3.740 3.207 127 HB2 ASN 526 HB2 ASN 526 -15.128 -1.236 1.637 128 HB3 ASN 526 HB3 ASN 526 -16.677 -2.072 1.629 129 HD21 ASN 526 HD21 ASN 526 -17.971 -2.011 3.494 130 HD22 ASN 526 HD22 ASN 526 -17.742 -0.801 4.708 131 H LEU 527 HN LEU 527 -13.219 -4.816 2.233 132 HA LEU 527 HA LEU 527 -13.391 -4.860 -0.639 133 HB2 LEU 527 HB2 LEU 527 -11.654 -6.306 1.356 134 HB3 LEU 527 HB1 LEU 527 -11.539 -6.578 -0.373 135 HG LEU 527 HG LEU 527 -11.165 -3.864 0.890 136 HD11 LEU 527 HD11 LEU 527 -8.784 -4.194 0.652 137 HD12 LEU 527 HD12 LEU 527 -9.044 -5.831 0.040 138 HD13 LEU 527 HD13 LEU 527 -9.454 -5.439 1.710 139 HD21 LEU 527 HD21 LEU 527 -10.057 -3.397 -1.258 140 HD22 LEU 527 HD22 LEU 527 -11.762 -3.803 -1.442 141 HD23 LEU 527 HD23 LEU 527 -10.525 -5.000 -1.822 142 HA PRO 528 HA PRO 528 -16.165 -8.416 -0.688 143 HB2 PRO 528 HB2 PRO 528 -16.250 -8.538 -3.432 144 HB3 PRO 528 HB3 PRO 528 -17.295 -7.504 -2.454 145 HG2 PRO 528 HG2 PRO 528 -14.853 -6.810 -4.005 146 HG3 PRO 528 HG3 PRO 528 -16.319 -5.858 -3.727 147 HD2 PRO 528 HD2 PRO 528 -13.952 -5.453 -2.415 148 HD3 PRO 528 HD3 PRO 528 -15.541 -5.021 -1.752 149 H GLU 529 HN GLU 529 -15.514 -10.472 -0.538 150 HA GLU 529 HA GLU 529 -12.907 -11.290 -1.321 151 HB2 GLU 529 HB2 GLU 529 -13.628 -13.567 -0.647 152 HB3 GLU 529 HB3 GLU 529 -13.904 -12.354 0.591 153 HG2 GLU 529 HG2 GLU 529 -16.091 -13.178 -1.279 154 HG3 GLU 529 HG3 GLU 529 -15.711 -14.123 0.159 155 H GLY 530 HN GLY 530 -12.201 -12.393 -3.070 156 HA2 GLY 530 HA2 GLY 530 -12.282 -13.620 -5.027 157 HA3 GLY 530 HA1 GLY 530 -14.020 -13.754 -4.836 158 H SER 531 HN SER 531 -13.978 -10.679 -4.557 159 HA SER 531 HA SER 531 -14.284 -10.198 -7.410 160 HB2 SER 531 HB2 SER 531 -14.883 -8.349 -5.095 161 HB3 SER 531 HB3 SER 531 -15.463 -8.191 -6.750 162 HG SER 531 HG SER 531 -17.063 -9.104 -5.427 163 H CYS 532 HN CYS 532 -12.334 -9.174 -4.687 164 HA CYS 532 HA CYS 532 -10.958 -7.144 -6.225 165 HB2 CYS 532 HB2 CYS 532 -10.352 -8.162 -3.444 166 HB3 CYS 532 HB3 CYS 532 -9.765 -6.671 -4.176 167 HG CYS 532 HG CYS 532 -12.773 -7.355 -2.817 168 H THR 533 HN THR 533 -9.103 -7.437 -7.303 169 HA THR 533 HA THR 533 -7.615 -9.924 -6.823 170 HB THR 533 HB THR 533 -6.580 -9.624 -8.990 171 HG1 THR 533 HG1 THR 533 -8.171 -7.303 -9.438 172 HG21 THR 533 HG21 THR 533 -8.528 -9.799 -10.458 173 HG22 THR 533 HG22 THR 533 -9.553 -9.142 -9.184 174 HG23 THR 533 HG23 THR 533 -8.774 -10.708 -8.967 175 H GLU 534 HN GLU 534 -5.171 -9.651 -7.057 176 HA GLU 534 HA GLU 534 -4.217 -7.860 -5.145 177 HB2 GLU 534 HB2 GLU 534 -2.649 -9.087 -7.421 178 HB3 GLU 534 HB3 GLU 534 -1.979 -8.432 -5.933 179 HG2 GLU 534 HG2 GLU 534 -3.112 -10.166 -4.652 180 HG3 GLU 534 HG3 GLU 534 -3.798 -10.818 -6.136 181 H ASN 535 HN ASN 535 -4.280 -7.669 -8.654 182 HA ASN 535 HA ASN 535 -2.790 -5.313 -8.933 183 HB2 ASN 535 HB2 ASN 535 -4.826 -6.613 -10.742 184 HB3 ASN 535 HB3 ASN 535 -3.900 -5.191 -11.206 185 HD21 ASN 535 HD21 ASN 535 -2.940 -6.321 -12.903 186 HD22 ASN 535 HD22 ASN 535 -1.689 -7.489 -12.631 187 H ASP 536 HN ASP 536 -6.306 -5.814 -8.639 188 HA ASP 536 HA ASP 536 -7.067 -3.168 -9.222 189 HB2 ASP 536 HB2 ASP 536 -8.424 -5.234 -7.484 190 HB3 ASP 536 HB3 ASP 536 -9.127 -3.667 -7.861 191 H VAL 537 HN VAL 537 -6.364 -4.739 -6.136 192 HA VAL 537 HA VAL 537 -6.994 -2.553 -4.486 193 HB VAL 537 HB VAL 537 -5.064 -4.823 -3.974 194 HG11 VAL 537 HG11 VAL 537 -4.737 -2.938 -2.438 195 HG12 VAL 537 HG12 VAL 537 -5.375 -4.364 -1.621 196 HG13 VAL 537 HG13 VAL 537 -6.445 -3.016 -2.003 197 HG21 VAL 537 HG21 VAL 537 -7.993 -4.531 -3.322 198 HG22 VAL 537 HG22 VAL 537 -6.956 -5.858 -2.793 199 HG23 VAL 537 HG23 VAL 537 -7.286 -5.627 -4.511 200 H ILE 538 HN ILE 538 -3.924 -3.633 -5.875 201 HA ILE 538 HA ILE 538 -2.303 -1.601 -4.787 202 HB ILE 538 HB ILE 538 -1.971 -3.180 -7.341 203 HG12 ILE 538 HG12 ILE 538 -0.690 -3.602 -4.636 204 HG13 ILE 538 HG13 ILE 538 -2.123 -4.465 -5.183 205 HG21 ILE 538 HG21 ILE 538 -0.601 -1.192 -7.440 206 HG22 ILE 538 HG22 ILE 538 0.424 -2.600 -7.154 207 HG23 ILE 538 HG23 ILE 538 0.030 -1.511 -5.825 208 HD11 ILE 538 HD11 ILE 538 -0.132 -5.808 -5.465 209 HD12 ILE 538 HD12 ILE 538 0.594 -4.552 -6.470 210 HD13 ILE 538 HD13 ILE 538 -0.841 -5.411 -7.030 211 H ASN 539 HN ASN 539 -4.106 -1.838 -7.818 212 HA ASN 539 HA ASN 539 -3.201 0.538 -8.998 213 HB2 ASN 539 HB2 ASN 539 -5.695 -1.094 -9.381 214 HB3 ASN 539 HB3 ASN 539 -5.460 0.419 -10.248 215 HD21 ASN 539 HD21 ASN 539 -5.687 -2.249 -11.319 216 HD22 ASN 539 HD22 ASN 539 -4.225 -2.553 -12.187 217 H LEU 540 HN LEU 540 -5.591 -0.004 -6.525 218 HA LEU 540 HA LEU 540 -6.890 2.518 -6.876 219 HB2 LEU 540 HB2 LEU 540 -6.921 0.609 -4.552 220 HB3 LEU 540 HB1 LEU 540 -7.937 2.031 -4.687 221 HG LEU 540 HG LEU 540 -8.014 -0.444 -6.400 222 HD11 LEU 540 HD11 LEU 540 -9.130 -0.621 -4.262 223 HD12 LEU 540 HD12 LEU 540 -10.309 -0.567 -5.573 224 HD13 LEU 540 HD13 LEU 540 -10.024 0.866 -4.583 225 HD21 LEU 540 HD21 LEU 540 -9.888 0.679 -7.585 226 HD22 LEU 540 HD22 LEU 540 -8.315 1.413 -7.889 227 HD23 LEU 540 HD23 LEU 540 -9.445 2.183 -6.777 228 H GLY 541 HN GLY 541 -4.207 1.400 -4.892 229 HA2 GLY 541 HA2 GLY 541 -4.168 3.807 -3.299 230 HA3 GLY 541 HA1 GLY 541 -2.947 2.543 -3.306 231 H LEU 542 HN LEU 542 -2.462 2.575 -6.084 232 HA LEU 542 HA LEU 542 -0.278 4.213 -6.221 233 HB2 LEU 542 HB2 LEU 542 -1.955 3.012 -8.393 234 HB3 LEU 542 HB1 LEU 542 -0.522 3.948 -8.761 235 HG LEU 542 HG LEU 542 -0.498 1.495 -7.006 236 HD11 LEU 542 HD11 LEU 542 -1.201 0.896 -9.259 237 HD12 LEU 542 HD12 LEU 542 0.435 0.327 -8.936 238 HD13 LEU 542 HD13 LEU 542 0.181 1.761 -9.929 239 HD21 LEU 542 HD21 LEU 542 1.702 3.054 -8.354 240 HD22 LEU 542 HD22 LEU 542 1.909 1.572 -7.422 241 HD23 LEU 542 HD23 LEU 542 1.344 3.040 -6.628 242 HA PRO 543 HA PRO 543 -2.837 7.238 -9.219 243 HB2 PRO 543 HB2 PRO 543 -5.154 7.507 -7.329 244 HB3 PRO 543 HB3 PRO 543 -5.114 7.676 -9.096 245 HG2 PRO 543 HG2 PRO 543 -6.035 5.460 -8.047 246 HG3 PRO 543 HG3 PRO 543 -4.906 5.362 -9.416 247 HD2 PRO 543 HD2 PRO 543 -4.392 4.919 -6.501 248 HD3 PRO 543 HD3 PRO 543 -3.780 4.018 -7.902 249 H PHE 544 HN PHE 544 -3.094 7.607 -5.648 250 HA PHE 544 HA PHE 544 -2.255 10.395 -6.086 251 HB2 PHE 544 HB2 PHE 544 -3.829 9.177 -3.837 252 HB3 PHE 544 HB1 PHE 544 -3.125 10.792 -3.741 253 HD1 PHE 544 HD1 PHE 544 -5.604 8.691 -5.453 254 HD2 PHE 544 HD2 PHE 544 -4.044 12.617 -4.965 255 HE1 PHE 544 HE1 PHE 544 -7.535 9.603 -6.669 256 HE2 PHE 544 HE2 PHE 544 -5.976 13.538 -6.174 257 HZ PHE 544 HZ PHE 544 -7.723 12.030 -7.029 258 H GLY 545 HN GLY 545 -1.252 7.437 -4.723 259 HA2 GLY 545 HA2 GLY 545 1.108 8.818 -3.617 260 HA3 GLY 545 HA1 GLY 545 0.408 7.401 -2.867 261 H LYS 546 HN LYS 546 2.216 6.208 -2.968 262 HA LYS 546 HA LYS 546 2.805 5.033 -5.576 263 HB2 LYS 546 HB2 LYS 546 4.592 6.604 -5.400 264 HB3 LYS 546 HB3 LYS 546 4.859 6.207 -3.707 265 HG2 LYS 546 HG2 LYS 546 6.604 5.146 -4.836 266 HG3 LYS 546 HG3 LYS 546 5.432 3.857 -4.518 267 HD2 LYS 546 HD2 LYS 546 4.552 4.173 -6.811 268 HD3 LYS 546 HD3 LYS 546 5.839 5.343 -7.111 269 HE2 LYS 546 HE2 LYS 546 7.456 3.502 -6.438 270 HE3 LYS 546 HE3 LYS 546 6.085 2.399 -6.557 271 HZ1 LYS 546 HZ1 LYS 546 5.783 3.153 -8.866 272 HZ2 LYS 546 HZ2 LYS 546 7.278 2.406 -8.619 273 HZ3 LYS 546 HZ3 LYS 546 7.187 4.096 -8.735 274 H VAL 547 HN VAL 547 2.747 2.887 -5.416 275 HA VAL 547 HA VAL 547 2.757 1.654 -2.782 276 HB VAL 547 HB VAL 547 2.136 0.507 -5.509 277 HG11 VAL 547 HG11 VAL 547 1.865 -0.753 -2.785 278 HG12 VAL 547 HG12 VAL 547 3.052 -1.186 -4.015 279 HG13 VAL 547 HG13 VAL 547 1.334 -1.461 -4.311 280 HG21 VAL 547 HG21 VAL 547 0.335 1.240 -3.202 281 HG22 VAL 547 HG22 VAL 547 -0.177 0.473 -4.706 282 HG23 VAL 547 HG23 VAL 547 0.474 2.111 -4.729 283 H THR 548 HN THR 548 4.342 0.367 -2.025 284 HA THR 548 HA THR 548 6.627 -0.189 -3.801 285 HB THR 548 HB THR 548 7.889 -0.596 -1.685 286 HG1 THR 548 HG1 THR 548 5.774 0.662 -0.301 287 HG21 THR 548 HG21 THR 548 8.088 1.573 -2.712 288 HG22 THR 548 HG22 THR 548 7.971 1.790 -0.962 289 HG23 THR 548 HG23 THR 548 6.570 2.100 -1.985 290 H ASN 549 HN ASN 549 4.432 -1.613 -1.441 291 HA ASN 549 HA ASN 549 4.513 -4.177 -2.672 292 HB2 ASN 549 HB2 ASN 549 5.478 -5.480 -0.938 293 HB3 ASN 549 HB3 ASN 549 6.634 -4.200 -1.291 294 HD21 ASN 549 HD21 ASN 549 6.767 -2.440 0.226 295 HD22 ASN 549 HD22 ASN 549 6.332 -2.700 1.878 296 H TYR 550 HN TYR 550 3.181 -5.774 -1.219 297 HA TYR 550 HA TYR 550 1.079 -4.278 0.161 298 HB2 TYR 550 HB2 TYR 550 -0.666 -5.287 -1.229 299 HB3 TYR 550 HB3 TYR 550 0.443 -4.344 -2.218 300 HD1 TYR 550 HD1 TYR 550 -0.840 -7.669 -1.494 301 HD2 TYR 550 HD2 TYR 550 2.044 -5.483 -3.723 302 HE1 TYR 550 HE1 TYR 550 -0.471 -9.630 -2.922 303 HE2 TYR 550 HE2 TYR 550 2.424 -7.442 -5.159 304 HH TYR 550 HH TYR 550 0.362 -10.208 -5.080 305 H ILE 551 HN ILE 551 -0.179 -5.486 1.570 306 HA ILE 551 HA ILE 551 0.300 -8.389 1.654 307 HB ILE 551 HB ILE 551 0.004 -6.511 4.005 308 HG12 ILE 551 HG12 ILE 551 2.074 -8.560 3.199 309 HG13 ILE 551 HG13 ILE 551 2.287 -6.816 3.298 310 HG21 ILE 551 HG21 ILE 551 -0.241 -9.518 4.011 311 HG22 ILE 551 HG22 ILE 551 -1.530 -8.364 4.352 312 HG23 ILE 551 HG23 ILE 551 -0.151 -8.494 5.444 313 HD11 ILE 551 HD11 ILE 551 3.351 -7.813 5.180 314 HD12 ILE 551 HD12 ILE 551 1.910 -8.747 5.572 315 HD13 ILE 551 HD13 ILE 551 1.900 -6.995 5.760 316 H LEU 552 HN LEU 552 -1.495 -9.508 1.318 317 HA LEU 552 HA LEU 552 -4.038 -8.041 1.445 318 HB2 LEU 552 HB2 LEU 552 -3.023 -10.128 -0.456 319 HB3 LEU 552 HB1 LEU 552 -4.734 -9.768 -0.313 320 HG LEU 552 HG LEU 552 -2.673 -7.672 -0.983 321 HD11 LEU 552 HD11 LEU 552 -4.464 -9.205 -2.869 322 HD12 LEU 552 HD12 LEU 552 -2.728 -9.459 -2.700 323 HD13 LEU 552 HD13 LEU 552 -3.337 -7.916 -3.297 324 HD21 LEU 552 HD21 LEU 552 -4.640 -6.455 -1.786 325 HD22 LEU 552 HD22 LEU 552 -4.738 -6.822 -0.065 326 HD23 LEU 552 HD23 LEU 552 -5.672 -7.773 -1.223 327 H MET 553 HN MET 553 -5.373 -8.699 2.984 328 HA MET 553 HA MET 553 -5.299 -11.535 3.764 329 HB2 MET 553 HB2 MET 553 -6.606 -9.221 5.212 330 HB3 MET 553 HB3 MET 553 -6.455 -10.869 5.801 331 HG2 MET 553 HG2 MET 553 -4.186 -8.955 5.305 332 HG3 MET 553 HG3 MET 553 -4.862 -9.383 6.875 333 HE1 MET 553 HE1 MET 553 -2.555 -10.047 7.871 334 HE2 MET 553 HE2 MET 553 -1.798 -9.532 6.364 335 HE3 MET 553 HE3 MET 553 -1.395 -11.100 7.063 336 H LYS 554 HN LYS 554 -6.493 -12.231 1.961 337 HA LYS 554 HA LYS 554 -9.010 -11.103 1.255 338 HB2 LYS 554 HB2 LYS 554 -7.888 -13.842 0.628 339 HB3 LYS 554 HB3 LYS 554 -9.328 -13.156 -0.097 340 HG2 LYS 554 HG2 LYS 554 -7.724 -12.797 -1.715 341 HG3 LYS 554 HG3 LYS 554 -7.752 -11.250 -0.865 342 HD2 LYS 554 HD2 LYS 554 -5.760 -11.783 0.327 343 HD3 LYS 554 HD3 LYS 554 -5.802 -13.458 -0.228 344 HE2 LYS 554 HE2 LYS 554 -5.462 -11.060 -2.026 345 HE3 LYS 554 HE3 LYS 554 -4.137 -12.050 -1.416 346 HZ1 LYS 554 HZ1 LYS 554 -4.695 -12.776 -3.603 347 HZ2 LYS 554 HZ2 LYS 554 -6.332 -12.924 -3.209 348 HZ3 LYS 554 HZ3 LYS 554 -5.200 -13.973 -2.522 349 H SER 555 HN SER 555 -7.913 -13.476 3.502 350 HA SER 555 HA SER 555 -10.309 -14.847 3.994 351 HB2 SER 555 HB2 SER 555 -9.186 -15.505 6.123 352 HB3 SER 555 HB3 SER 555 -8.171 -15.731 4.698 353 HG SER 555 HG SER 555 -7.519 -14.424 6.829 354 H THR 556 HN THR 556 -9.200 -11.715 5.063 355 HA THR 556 HA THR 556 -11.471 -11.589 6.931 356 HB THR 556 HB THR 556 -10.263 -9.723 8.041 357 HG1 THR 556 HG1 THR 556 -8.182 -9.237 7.434 358 HG21 THR 556 HG21 THR 556 -8.555 -11.104 9.143 359 HG22 THR 556 HG22 THR 556 -8.702 -12.305 7.860 360 HG23 THR 556 HG23 THR 556 -10.066 -11.990 8.933 361 H ASN 557 HN ASN 557 -10.682 -10.855 3.930 362 HA ASN 557 HA ASN 557 -11.315 -9.379 2.331 363 HB2 ASN 557 HB2 ASN 557 -13.453 -8.764 4.373 364 HB3 ASN 557 HB3 ASN 557 -13.475 -8.187 2.708 365 HD21 ASN 557 HD21 ASN 557 -15.419 -9.850 4.020 366 HD22 ASN 557 HD22 ASN 557 -15.493 -11.323 3.115 367 H GLN 558 HN GLN 558 -9.239 -8.493 3.954 368 HA GLN 558 HA GLN 558 -9.663 -5.595 3.876 369 HB2 GLN 558 HB2 GLN 558 -8.402 -7.055 6.213 370 HB3 GLN 558 HB3 GLN 558 -8.594 -5.315 6.058 371 HG2 GLN 558 HG2 GLN 558 -11.012 -7.069 5.946 372 HG3 GLN 558 HG3 GLN 558 -10.257 -6.721 7.504 373 HE21 GLN 558 HE21 GLN 558 -10.484 -4.728 8.399 374 HE22 GLN 558 HE22 GLN 558 -11.493 -3.486 7.739 375 H ALA 559 HN ALA 559 -7.690 -4.411 3.516 376 HA ALA 559 HA ALA 559 -5.442 -6.129 2.689 377 HB1 ALA 559 HB1 ALA 559 -6.829 -5.541 0.738 378 HB2 ALA 559 HB2 ALA 559 -5.188 -4.895 0.634 379 HB3 ALA 559 HB3 ALA 559 -6.528 -3.836 1.070 380 H PHE 560 HN PHE 560 -3.398 -5.224 2.702 381 HA PHE 560 HA PHE 560 -3.140 -2.568 3.942 382 HB2 PHE 560 HB2 PHE 560 -1.328 -4.951 4.408 383 HB3 PHE 560 HB1 PHE 560 -1.191 -3.370 5.168 384 HD1 PHE 560 HD1 PHE 560 -2.828 -6.588 5.222 385 HD2 PHE 560 HD2 PHE 560 -2.889 -2.646 6.820 386 HE1 PHE 560 HE1 PHE 560 -4.278 -7.358 7.051 387 HE2 PHE 560 HE2 PHE 560 -4.339 -3.412 8.657 388 HZ PHE 560 HZ PHE 560 -5.038 -5.772 8.770 389 H LEU 561 HN LEU 561 -1.921 -1.186 2.797 390 HA LEU 561 HA LEU 561 -0.235 -2.277 0.638 391 HB2 LEU 561 HB2 LEU 561 -2.544 -1.367 -0.006 392 HB3 LEU 561 HB1 LEU 561 -1.907 0.212 0.400 393 HG LEU 561 HG LEU 561 -0.249 0.042 -1.367 394 HD11 LEU 561 HD11 LEU 561 -0.268 -1.855 -2.920 395 HD12 LEU 561 HD12 LEU 561 -1.441 -2.677 -1.890 396 HD13 LEU 561 HD13 LEU 561 0.183 -2.345 -1.289 397 HD21 LEU 561 HD21 LEU 561 -2.980 -0.750 -2.370 398 HD22 LEU 561 HD22 LEU 561 -1.739 0.123 -3.269 399 HD23 LEU 561 HD23 LEU 561 -2.518 0.877 -1.879 400 H GLU 562 HN GLU 562 1.788 -1.412 0.535 401 HA GLU 562 HA GLU 562 2.426 0.629 2.546 402 HB2 GLU 562 HB2 GLU 562 3.682 -1.389 2.818 403 HB3 GLU 562 HB3 GLU 562 4.126 -1.413 1.119 404 HG2 GLU 562 HG2 GLU 562 6.025 -0.739 2.385 405 HG3 GLU 562 HG3 GLU 562 5.438 0.658 1.487 406 H MET 563 HN MET 563 3.480 2.482 2.081 407 HA MET 563 HA MET 563 3.535 3.177 -0.784 408 HB2 MET 563 HB2 MET 563 2.923 5.003 1.539 409 HB3 MET 563 HB3 MET 563 2.832 5.409 -0.172 410 HG2 MET 563 HG2 MET 563 1.099 3.463 1.327 411 HG3 MET 563 HG3 MET 563 0.621 5.022 0.656 412 HE1 MET 563 HE1 MET 563 -0.814 2.133 0.187 413 HE2 MET 563 HE2 MET 563 -1.258 2.313 -1.511 414 HE3 MET 563 HE3 MET 563 -1.451 3.674 -0.401 415 H ALA 564 HN ALA 564 5.260 4.141 -1.582 416 HA ALA 564 HA ALA 564 7.752 3.880 -0.317 417 HB1 ALA 564 HB1 ALA 564 7.499 3.852 -2.732 418 HB2 ALA 564 HB2 ALA 564 8.632 5.115 -2.252 419 HB3 ALA 564 HB3 ALA 564 6.986 5.539 -2.717 420 H TYR 565 HN TYR 565 5.508 6.510 -0.524 421 HA TYR 565 HA TYR 565 7.350 8.257 0.965 422 HB2 TYR 565 HB2 TYR 565 5.237 9.213 -0.977 423 HB3 TYR 565 HB3 TYR 565 6.550 10.146 -0.268 424 HD1 TYR 565 HD1 TYR 565 5.526 8.073 -3.016 425 HD2 TYR 565 HD2 TYR 565 8.921 9.616 -0.988 426 HE1 TYR 565 HE1 TYR 565 6.927 7.543 -4.966 427 HE2 TYR 565 HE2 TYR 565 10.333 9.095 -2.924 428 HH TYR 565 HH TYR 565 8.999 8.095 -5.960 429 H THR 566 HN THR 566 6.523 9.105 2.792 430 HA THR 566 HA THR 566 4.171 7.974 3.871 431 HB THR 566 HB THR 566 5.959 8.537 5.367 432 HG1 THR 566 HG1 THR 566 4.755 9.934 6.855 433 HG21 THR 566 HG21 THR 566 5.543 11.415 4.556 434 HG22 THR 566 HG22 THR 566 6.941 10.415 4.162 435 HG23 THR 566 HG23 THR 566 6.616 10.855 5.838 436 H GLU 567 HN GLU 567 4.897 11.142 2.492 437 HA GLU 567 HA GLU 567 2.335 12.256 3.005 438 HB2 GLU 567 HB2 GLU 567 2.977 13.886 1.161 439 HB3 GLU 567 HB3 GLU 567 4.013 13.841 2.578 440 HG2 GLU 567 HG2 GLU 567 4.660 12.294 0.093 441 HG3 GLU 567 HG3 GLU 567 5.124 13.981 0.297 442 H ALA 568 HN ALA 568 3.631 10.283 0.455 443 HA ALA 568 HA ALA 568 1.566 10.599 -1.424 444 HB1 ALA 568 HB1 ALA 568 3.391 8.268 -0.857 445 HB2 ALA 568 HB2 ALA 568 3.602 9.526 -2.077 446 HB3 ALA 568 HB3 ALA 568 2.302 8.347 -2.238 447 H ALA 569 HN ALA 569 1.963 8.418 1.320 448 HA ALA 569 HA ALA 569 -0.432 6.956 0.926 449 HB1 ALA 569 HB1 ALA 569 -0.068 6.084 3.124 450 HB2 ALA 569 HB2 ALA 569 1.020 7.413 3.523 451 HB3 ALA 569 HB3 ALA 569 1.495 6.216 2.320 452 H GLN 570 HN GLN 570 0.386 9.732 2.967 453 HA GLN 570 HA GLN 570 -2.113 10.052 4.198 454 HB2 GLN 570 HB2 GLN 570 0.092 12.010 3.568 455 HB3 GLN 570 HB3 GLN 570 -1.346 12.465 4.468 456 HG2 GLN 570 HG2 GLN 570 -0.806 10.994 6.245 457 HG3 GLN 570 HG3 GLN 570 0.482 10.237 5.307 458 HE21 GLN 570 HE21 GLN 570 2.435 11.260 5.098 459 HE22 GLN 570 HE22 GLN 570 2.886 12.637 6.044 460 H ALA 571 HN ALA 571 -0.785 11.476 1.233 461 HA ALA 571 HA ALA 571 -2.905 13.233 0.705 462 HB1 ALA 571 HB1 ALA 571 -2.007 13.392 -1.544 463 HB2 ALA 571 HB2 ALA 571 -1.045 11.937 -1.283 464 HB3 ALA 571 HB3 ALA 571 -0.699 13.400 -0.360 465 H MET 572 HN MET 572 -2.354 9.878 -0.309 466 HA MET 572 HA MET 572 -4.553 9.833 -2.095 467 HB2 MET 572 HB2 MET 572 -4.144 7.531 -2.381 468 HB3 MET 572 HB3 MET 572 -2.569 8.250 -2.114 469 HG2 MET 572 HG2 MET 572 -2.491 7.413 0.124 470 HG3 MET 572 HG3 MET 572 -4.165 6.870 0.030 471 HE1 MET 572 HE1 MET 572 -1.327 6.586 -2.695 472 HE2 MET 572 HE2 MET 572 -0.634 5.022 -2.265 473 HE3 MET 572 HE3 MET 572 -0.512 6.380 -1.144 474 H VAL 573 HN VAL 573 -4.164 8.770 1.265 475 HA VAL 573 HA VAL 573 -6.739 7.620 1.434 476 HB VAL 573 HB VAL 573 -4.880 8.522 3.630 477 HG11 VAL 573 HG11 VAL 573 -7.416 6.896 3.750 478 HG12 VAL 573 HG12 VAL 573 -7.153 8.483 4.470 479 HG13 VAL 573 HG13 VAL 573 -6.278 7.080 5.081 480 HG21 VAL 573 HG21 VAL 573 -4.461 6.096 3.824 481 HG22 VAL 573 HG22 VAL 573 -3.991 6.738 2.248 482 HG23 VAL 573 HG23 VAL 573 -5.497 5.829 2.420 483 H GLN 574 HN GLN 574 -5.510 10.852 2.188 484 HA GLN 574 HA GLN 574 -7.833 11.859 3.376 485 HB2 GLN 574 HB2 GLN 574 -5.687 13.177 1.728 486 HB3 GLN 574 HB3 GLN 574 -7.047 14.089 2.365 487 HG2 GLN 574 HG2 GLN 574 -5.126 12.490 4.039 488 HG3 GLN 574 HG3 GLN 574 -5.017 14.229 3.759 489 HE21 GLN 574 HE21 GLN 574 -6.575 15.592 4.664 490 HE22 GLN 574 HE22 GLN 574 -7.581 15.079 5.970 491 H TYR 575 HN TYR 575 -6.938 11.498 -0.016 492 HA TYR 575 HA TYR 575 -9.334 12.623 -1.038 493 HB2 TYR 575 HB2 TYR 575 -7.267 12.326 -2.391 494 HB3 TYR 575 HB3 TYR 575 -7.541 10.587 -2.360 495 HD1 TYR 575 HD1 TYR 575 -8.780 13.803 -3.646 496 HD2 TYR 575 HD2 TYR 575 -9.233 9.574 -3.743 497 HE1 TYR 575 HE1 TYR 575 -10.224 14.005 -5.626 498 HE2 TYR 575 HE2 TYR 575 -10.675 9.767 -5.724 499 HH TYR 575 HH TYR 575 -10.864 12.482 -7.597 500 H TYR 576 HN TYR 576 -8.338 9.276 -0.346 501 HA TYR 576 HA TYR 576 -10.732 8.193 -1.471 502 HB2 TYR 576 HB2 TYR 576 -8.666 6.845 0.260 503 HB3 TYR 576 HB3 TYR 576 -9.931 6.030 -0.655 504 HD1 TYR 576 HD1 TYR 576 -6.736 5.989 -0.727 505 HD2 TYR 576 HD2 TYR 576 -9.778 7.637 -3.195 506 HE1 TYR 576 HE1 TYR 576 -5.223 5.879 -2.651 507 HE2 TYR 576 HE2 TYR 576 -8.268 7.538 -5.134 508 HH TYR 576 HH TYR 576 -5.498 5.736 -5.196 509 H GLN 577 HN GLN 577 -9.996 9.372 1.687 510 HA GLN 577 HA GLN 577 -12.099 7.842 2.912 511 HB2 GLN 577 HB2 GLN 577 -10.386 10.119 3.865 512 HB3 GLN 577 HB3 GLN 577 -11.760 9.551 4.812 513 HG2 GLN 577 HG2 GLN 577 -10.788 7.320 4.885 514 HG3 GLN 577 HG3 GLN 577 -9.430 7.876 3.909 515 HE21 GLN 577 HE21 GLN 577 -9.538 6.734 6.607 516 HE22 GLN 577 HE22 GLN 577 -8.739 7.870 7.629 517 H GLU 578 HN GLU 578 -11.851 10.855 1.240 518 HA GLU 578 HA GLU 578 -14.607 11.539 1.950 519 HB2 GLU 578 HB2 GLU 578 -12.516 13.100 0.428 520 HB3 GLU 578 HB3 GLU 578 -14.151 13.666 0.746 521 HG2 GLU 578 HG2 GLU 578 -11.999 13.088 2.767 522 HG3 GLU 578 HG3 GLU 578 -12.674 14.660 2.338 523 H LYS 579 HN LYS 579 -12.566 10.793 -0.827 524 HA LYS 579 HA LYS 579 -14.997 9.990 -2.291 525 HB2 LYS 579 HB2 LYS 579 -12.488 11.248 -3.417 526 HB3 LYS 579 HB3 LYS 579 -13.751 10.519 -4.396 527 HG2 LYS 579 HG2 LYS 579 -15.350 12.179 -3.498 528 HG3 LYS 579 HG3 LYS 579 -14.019 12.940 -2.624 529 HD2 LYS 579 HD2 LYS 579 -14.415 14.143 -4.680 530 HD3 LYS 579 HD3 LYS 579 -12.866 13.306 -4.790 531 HE2 LYS 579 HE2 LYS 579 -13.994 11.485 -6.039 532 HE3 LYS 579 HE3 LYS 579 -15.484 12.426 -6.002 533 HZ1 LYS 579 HZ1 LYS 579 -12.934 13.192 -7.314 534 HZ2 LYS 579 HZ2 LYS 579 -14.291 14.196 -7.201 535 HZ3 LYS 579 HZ3 LYS 579 -14.376 12.756 -8.083 536 HA PRO 580 HA PRO 580 -12.220 6.392 -1.571 537 HB2 PRO 580 HB2 PRO 580 -14.745 4.916 -1.339 538 HB3 PRO 580 HB3 PRO 580 -13.430 5.096 -0.165 539 HG2 PRO 580 HG2 PRO 580 -15.815 6.281 0.211 540 HG3 PRO 580 HG3 PRO 580 -14.296 7.062 0.707 541 HD2 PRO 580 HD2 PRO 580 -15.929 7.523 -1.777 542 HD3 PRO 580 HD3 PRO 580 -15.229 8.713 -0.653 543 H ALA 581 HN ALA 581 -11.950 4.377 -2.728 544 HA ALA 581 HA ALA 581 -12.741 4.723 -5.517 545 HB1 ALA 581 HB1 ALA 581 -10.689 2.867 -4.312 546 HB2 ALA 581 HB2 ALA 581 -10.353 4.464 -4.982 547 HB3 ALA 581 HB3 ALA 581 -10.944 3.175 -6.029 548 H ILE 582 HN ILE 582 -13.452 2.862 -6.775 549 HA ILE 582 HA ILE 582 -15.184 1.168 -5.097 550 HB ILE 582 HB ILE 582 -15.752 2.374 -7.808 551 HG12 ILE 582 HG12 ILE 582 -16.945 2.901 -5.085 552 HG13 ILE 582 HG13 ILE 582 -15.876 3.976 -5.960 553 HG21 ILE 582 HG21 ILE 582 -17.992 1.418 -7.580 554 HG22 ILE 582 HG22 ILE 582 -17.494 0.612 -6.092 555 HG23 ILE 582 HG23 ILE 582 -16.752 0.165 -7.628 556 HD11 ILE 582 HD11 ILE 582 -18.189 4.699 -6.104 557 HD12 ILE 582 HD12 ILE 582 -18.633 3.155 -6.829 558 HD13 ILE 582 HD13 ILE 582 -17.560 4.257 -7.691 559 H ILE 583 HN ILE 583 -15.064 -0.974 -5.347 560 HA ILE 583 HA ILE 583 -14.144 -2.004 -7.959 561 HB ILE 583 HB ILE 583 -13.714 -3.244 -5.236 562 HG12 ILE 583 HG12 ILE 583 -11.821 -2.286 -7.390 563 HG13 ILE 583 HG13 ILE 583 -12.029 -1.606 -5.779 564 HG21 ILE 583 HG21 ILE 583 -12.696 -5.146 -6.410 565 HG22 ILE 583 HG22 ILE 583 -13.194 -4.451 -7.952 566 HG23 ILE 583 HG23 ILE 583 -14.411 -4.980 -6.789 567 HD11 ILE 583 HD11 ILE 583 -9.999 -2.899 -5.867 568 HD12 ILE 583 HD12 ILE 583 -10.884 -4.308 -6.454 569 HD13 ILE 583 HD13 ILE 583 -11.164 -3.710 -4.820 570 H ASN 584 HN ASN 584 -15.696 -2.992 -9.059 571 HA ASN 584 HA ASN 584 -17.570 -4.155 -9.608 572 HB2 ASN 584 HB2 ASN 584 -17.022 -5.410 -6.920 573 HB3 ASN 584 HB3 ASN 584 -18.316 -5.949 -7.981 574 HD21 ASN 584 HD21 ASN 584 -17.382 -7.973 -8.108 575 HD22 ASN 584 HD22 ASN 584 -15.989 -8.279 -9.083 576 H GLY 585 HN GLY 585 -17.935 -1.593 -8.454 577 HA2 GLY 585 HA2 GLY 585 -19.838 -0.340 -8.031 578 HA3 GLY 585 HA1 GLY 585 -20.736 -1.834 -7.812 579 H GLU 586 HN GLU 586 -18.084 -2.130 -5.908 580 HA GLU 586 HA GLU 586 -19.595 -1.241 -3.554 581 HB2 GLU 586 HB2 GLU 586 -17.192 -3.077 -3.668 582 HB3 GLU 586 HB3 GLU 586 -18.245 -2.799 -2.287 583 HG2 GLU 586 HG2 GLU 586 -19.024 -4.121 -4.872 584 HG3 GLU 586 HG3 GLU 586 -18.696 -4.940 -3.347 585 H LYS 587 HN LYS 587 -18.898 0.447 -2.391 586 HA LYS 587 HA LYS 587 -16.537 1.854 -3.278 587 HB2 LYS 587 HB2 LYS 587 -18.582 2.499 -1.152 588 HB3 LYS 587 HB3 LYS 587 -17.237 3.549 -1.576 589 HG2 LYS 587 HG2 LYS 587 -18.104 3.725 -3.859 590 HG3 LYS 587 HG3 LYS 587 -19.465 2.694 -3.411 591 HD2 LYS 587 HD2 LYS 587 -20.162 4.343 -1.744 592 HD3 LYS 587 HD3 LYS 587 -18.795 5.369 -2.181 593 HE2 LYS 587 HE2 LYS 587 -19.692 5.537 -4.472 594 HE3 LYS 587 HE3 LYS 587 -21.080 4.568 -3.981 595 HZ1 LYS 587 HZ1 LYS 587 -21.605 6.296 -2.336 596 HZ2 LYS 587 HZ2 LYS 587 -21.651 6.882 -3.919 597 HZ3 LYS 587 HZ3 LYS 587 -20.331 7.239 -2.922 598 H LEU 588 HN LEU 588 -14.617 1.335 -2.552 599 HA LEU 588 HA LEU 588 -14.305 -0.050 -0.020 600 HB2 LEU 588 HB2 LEU 588 -12.154 0.876 -1.906 601 HB3 LEU 588 HB1 LEU 588 -12.012 -0.322 -0.639 602 HG LEU 588 HG LEU 588 -13.510 -0.606 -3.235 603 HD11 LEU 588 HD11 LEU 588 -11.011 -1.816 -2.087 604 HD12 LEU 588 HD12 LEU 588 -11.162 -0.800 -3.520 605 HD13 LEU 588 HD13 LEU 588 -11.828 -2.434 -3.523 606 HD21 LEU 588 HD21 LEU 588 -13.280 -2.525 -0.916 607 HD22 LEU 588 HD22 LEU 588 -13.937 -2.920 -2.503 608 HD23 LEU 588 HD23 LEU 588 -14.752 -1.737 -1.480 609 H LEU 589 HN LEU 589 -13.895 0.984 1.814 610 HA LEU 589 HA LEU 589 -13.075 3.754 1.739 611 HB2 LEU 589 HB2 LEU 589 -14.707 2.910 3.417 612 HB3 LEU 589 HB1 LEU 589 -13.450 1.900 4.100 613 HG LEU 589 HG LEU 589 -12.187 3.883 4.765 614 HD11 LEU 589 HD11 LEU 589 -12.823 5.405 2.994 615 HD12 LEU 589 HD12 LEU 589 -13.202 6.115 4.564 616 HD13 LEU 589 HD13 LEU 589 -14.487 5.424 3.576 617 HD21 LEU 589 HD21 LEU 589 -13.699 4.678 6.497 618 HD22 LEU 589 HD22 LEU 589 -13.835 2.931 6.299 619 HD23 LEU 589 HD23 LEU 589 -15.072 3.993 5.629 620 H ILE 590 HN ILE 590 -11.052 4.122 1.237 621 HA ILE 590 HA ILE 590 -8.940 2.299 2.105 622 HB ILE 590 HB ILE 590 -8.784 4.752 0.338 623 HG12 ILE 590 HG12 ILE 590 -8.930 1.828 -0.401 624 HG13 ILE 590 HG13 ILE 590 -10.144 3.053 -0.717 625 HG21 ILE 590 HG21 ILE 590 -6.653 4.290 1.354 626 HG22 ILE 590 HG22 ILE 590 -6.596 3.843 -0.350 627 HG23 ILE 590 HG23 ILE 590 -6.757 2.595 0.884 628 HD11 ILE 590 HD11 ILE 590 -8.594 4.202 -2.229 629 HD12 ILE 590 HD12 ILE 590 -8.894 2.539 -2.730 630 HD13 ILE 590 HD13 ILE 590 -7.385 2.955 -1.920 631 H ARG 591 HN ARG 591 -7.906 2.678 3.948 632 HA ARG 591 HA ARG 591 -8.065 5.396 5.127 633 HB2 ARG 591 HB2 ARG 591 -8.286 2.763 6.594 634 HB3 ARG 591 HB3 ARG 591 -8.403 4.363 7.309 635 HG2 ARG 591 HG2 ARG 591 -10.461 4.781 6.109 636 HG3 ARG 591 HG3 ARG 591 -10.327 3.216 5.300 637 HD2 ARG 591 HD2 ARG 591 -11.886 3.080 7.160 638 HD3 ARG 591 HD3 ARG 591 -10.461 2.090 7.473 639 HE ARG 591 HE ARG 591 -10.196 4.705 8.581 640 HH11 ARG 591 HH11 ARG 591 -11.661 1.572 9.134 641 HH12 ARG 591 HH12 ARG 591 -11.755 1.782 10.852 642 HH21 ARG 591 HH21 ARG 591 -10.309 4.970 10.839 643 HH22 ARG 591 HH22 ARG 591 -10.987 3.708 11.821 644 H MET 592 HN MET 592 -6.399 5.966 6.629 645 HA MET 592 HA MET 592 -3.809 4.845 6.164 646 HB2 MET 592 HB2 MET 592 -4.810 6.739 8.309 647 HB3 MET 592 HB3 MET 592 -3.122 6.333 8.063 648 HG2 MET 592 HG2 MET 592 -4.519 7.363 5.691 649 HG3 MET 592 HG3 MET 592 -4.353 8.496 7.030 650 HE1 MET 592 HE1 MET 592 -1.859 5.584 5.988 651 HE2 MET 592 HE2 MET 592 -0.774 6.475 4.918 652 HE3 MET 592 HE3 MET 592 -2.457 6.224 4.456 653 H SER 593 HN SER 593 -2.868 3.137 7.229 654 HA SER 593 HA SER 593 -4.572 1.732 9.095 655 HB2 SER 593 HB2 SER 593 -3.339 0.560 7.243 656 HB3 SER 593 HB3 SER 593 -1.842 0.889 8.112 657 HG SER 593 HG SER 593 -4.044 -0.474 9.271 658 H THR 594 HN THR 594 -4.384 1.688 11.208 659 HA THR 594 HA THR 594 -2.012 2.827 12.490 660 HB THR 594 HB THR 594 -4.603 1.952 13.793 661 HG1 THR 594 HG1 THR 594 -3.843 4.414 12.594 662 HG21 THR 594 HG21 THR 594 -2.443 3.858 14.711 663 HG22 THR 594 HG22 THR 594 -2.703 2.226 15.326 664 HG23 THR 594 HG23 THR 594 -3.923 3.472 15.589 665 H ARG 595 HN ARG 595 -3.249 -0.121 11.518 666 HA ARG 595 HA ARG 595 -2.353 -1.710 13.754 667 HB2 ARG 595 HB2 ARG 595 -3.325 -2.539 11.013 668 HB3 ARG 595 HB3 ARG 595 -3.025 -3.634 12.356 669 HG2 ARG 595 HG2 ARG 595 -4.765 -2.532 13.656 670 HG3 ARG 595 HG3 ARG 595 -5.056 -1.413 12.328 671 HD2 ARG 595 HD2 ARG 595 -5.629 -3.370 10.896 672 HD3 ARG 595 HD3 ARG 595 -5.489 -4.394 12.327 673 HE ARG 595 HE ARG 595 -7.321 -2.139 12.501 674 HH11 ARG 595 HH11 ARG 595 -6.913 -5.578 11.988 675 HH12 ARG 595 HH12 ARG 595 -8.571 -5.950 12.336 676 HH21 ARG 595 HH21 ARG 595 -9.507 -2.630 12.952 677 HH22 ARG 595 HH22 ARG 595 -10.038 -4.282 12.893 678 H TYR 596 HN TYR 596 -1.274 -1.030 10.463 679 HA TYR 596 HA TYR 596 1.325 -2.219 11.166 680 HB2 TYR 596 HB2 TYR 596 -0.009 -1.960 8.470 681 HB3 TYR 596 HB3 TYR 596 1.690 -2.364 8.665 682 HD1 TYR 596 HD1 TYR 596 2.298 -4.575 8.719 683 HD2 TYR 596 HD2 TYR 596 -1.685 -3.539 9.796 684 HE1 TYR 596 HE1 TYR 596 1.733 -6.959 8.895 685 HE2 TYR 596 HE2 TYR 596 -2.258 -5.925 9.977 686 HH TYR 596 HH TYR 596 0.130 -8.394 9.938 687 H LYS 597 HN LYS 597 3.093 -1.006 11.034 688 HA LYS 597 HA LYS 597 2.801 1.825 10.414 689 HB2 LYS 597 HB2 LYS 597 3.980 1.163 12.471 690 HB3 LYS 597 HB3 LYS 597 5.136 0.242 11.527 691 HG2 LYS 597 HG2 LYS 597 4.811 3.196 11.126 692 HG3 LYS 597 HG3 LYS 597 5.831 2.546 12.409 693 HD2 LYS 597 HD2 LYS 597 7.092 1.270 10.707 694 HD3 LYS 597 HD3 LYS 597 6.105 2.018 9.451 695 HE2 LYS 597 HE2 LYS 597 6.920 4.225 10.151 696 HE3 LYS 597 HE3 LYS 597 7.929 3.454 11.373 697 HZ1 LYS 597 HZ1 LYS 597 8.175 3.284 8.430 698 HZ2 LYS 597 HZ2 LYS 597 8.950 2.181 9.459 699 HZ3 LYS 597 HZ3 LYS 597 9.321 3.832 9.550 700 H GLU 598 HN GLU 598 4.537 -1.032 9.327 701 HA GLU 598 HA GLU 598 4.848 0.089 6.677 702 HB2 GLU 598 HB2 GLU 598 7.285 -0.326 6.607 703 HB3 GLU 598 HB3 GLU 598 6.854 0.944 7.743 704 HG2 GLU 598 HG2 GLU 598 7.086 -0.619 9.595 705 HG3 GLU 598 HG3 GLU 598 7.489 -1.908 8.462 706 H LEU 599 HN LEU 599 5.147 -1.483 5.108 707 HA LEU 599 HA LEU 599 4.622 -4.221 6.001 708 HB2 LEU 599 HB2 LEU 599 4.665 -3.003 3.249 709 HB3 LEU 599 HB1 LEU 599 4.369 -4.695 3.565 710 HG LEU 599 HG LEU 599 2.597 -2.384 4.350 711 HD11 LEU 599 HD11 LEU 599 2.370 -4.626 2.352 712 HD12 LEU 599 HD12 LEU 599 2.424 -2.893 2.022 713 HD13 LEU 599 HD13 LEU 599 1.022 -3.595 2.836 714 HD21 LEU 599 HD21 LEU 599 1.028 -4.136 5.089 715 HD22 LEU 599 HD22 LEU 599 2.481 -4.057 6.088 716 HD23 LEU 599 HD23 LEU 599 2.304 -5.332 4.880 717 H GLN 600 HN GLN 600 6.168 -5.693 6.131 718 HA GLN 600 HA GLN 600 8.521 -5.395 4.398 719 HB2 GLN 600 HB2 GLN 600 8.463 -6.309 7.276 720 HB3 GLN 600 HB3 GLN 600 9.846 -6.526 6.214 721 HG2 GLN 600 HG2 GLN 600 8.635 -3.901 7.047 722 HG3 GLN 600 HG3 GLN 600 10.149 -4.591 7.631 723 HE21 GLN 600 HE21 GLN 600 9.725 -2.054 6.329 724 HE22 GLN 600 HE22 GLN 600 10.669 -2.069 4.884 725 H LEU 601 HN LEU 601 7.597 -6.750 2.875 726 HA LEU 601 HA LEU 601 6.532 -9.302 3.480 727 HB2 LEU 601 HB2 LEU 601 7.579 -8.114 0.916 728 HB3 LEU 601 HB1 LEU 601 6.875 -9.717 1.008 729 HG LEU 601 HG LEU 601 5.458 -7.123 1.629 730 HD11 LEU 601 HD11 LEU 601 4.143 -7.625 -0.358 731 HD12 LEU 601 HD12 LEU 601 5.105 -9.074 -0.641 732 HD13 LEU 601 HD13 LEU 601 5.854 -7.484 -0.761 733 HD21 LEU 601 HD21 LEU 601 3.447 -8.570 1.762 734 HD22 LEU 601 HD22 LEU 601 4.607 -8.850 3.060 735 HD23 LEU 601 HD23 LEU 601 4.505 -9.981 1.709 736 H LYS 602 HN LYS 602 7.387 -11.338 3.084 737 HA LYS 602 HA LYS 602 10.093 -11.680 3.904 738 HB2 LYS 602 HB2 LYS 602 8.264 -13.239 4.498 739 HB3 LYS 602 HB3 LYS 602 8.123 -13.697 2.808 740 HG2 LYS 602 HG2 LYS 602 10.493 -14.485 2.912 741 HG3 LYS 602 HG3 LYS 602 10.438 -14.203 4.654 742 HD2 LYS 602 HD2 LYS 602 8.474 -15.733 4.771 743 HD3 LYS 602 HD3 LYS 602 8.717 -16.098 3.062 744 HE2 LYS 602 HE2 LYS 602 9.743 -17.824 4.390 745 HE3 LYS 602 HE3 LYS 602 11.001 -16.881 3.594 746 HZ1 LYS 602 HZ1 LYS 602 10.145 -16.625 6.425 747 HZ2 LYS 602 HZ2 LYS 602 11.298 -15.645 5.675 748 HZ3 LYS 602 HZ3 LYS 602 11.596 -17.297 5.873 749 H LYS 603 HN LYS 603 8.326 -12.243 0.892 750 HA LYS 603 HA LYS 603 10.884 -12.644 -0.493 751 HB2 LYS 603 HB2 LYS 603 8.092 -13.327 -1.429 752 HB3 LYS 603 HB3 LYS 603 9.592 -13.721 -2.257 753 HG2 LYS 603 HG2 LYS 603 10.241 -15.145 -0.357 754 HG3 LYS 603 HG3 LYS 603 8.696 -14.786 0.415 755 HD2 LYS 603 HD2 LYS 603 9.044 -16.129 -2.267 756 HD3 LYS 603 HD3 LYS 603 8.679 -16.954 -0.752 757 HE2 LYS 603 HE2 LYS 603 6.587 -15.659 -0.582 758 HE3 LYS 603 HE3 LYS 603 6.950 -14.901 -2.131 759 HZ1 LYS 603 HZ1 LYS 603 6.854 -17.065 -3.184 760 HZ2 LYS 603 HZ2 LYS 603 5.407 -16.753 -2.368 761 HZ3 LYS 603 HZ3 LYS 603 6.543 -17.810 -1.699 762 HA PRO 604 HA PRO 604 10.164 -8.499 -2.113 763 HB2 PRO 604 HB2 PRO 604 12.572 -9.146 -3.691 764 HB3 PRO 604 HB3 PRO 604 12.291 -7.811 -2.572 765 HG2 PRO 604 HG2 PRO 604 13.917 -9.839 -1.942 766 HG3 PRO 604 HG3 PRO 604 12.890 -9.060 -0.723 767 HD2 PRO 604 HD2 PRO 604 12.484 -11.657 -2.163 768 HD3 PRO 604 HD3 PRO 604 12.213 -11.260 -0.452 769 H GLY 605 HN GLY 605 8.292 -9.186 -3.289 770 HA2 GLY 605 HA2 GLY 605 8.570 -10.555 -5.802 771 HA3 GLY 605 HA1 GLY 605 7.093 -9.876 -5.139 772 H LYS 606 HN LYS 606 7.142 -7.366 -5.090 773 HA LYS 606 HA LYS 606 7.335 -6.530 -7.786 774 HB2 LYS 606 HB2 LYS 606 6.893 -4.925 -5.265 775 HB3 LYS 606 HB3 LYS 606 6.755 -4.270 -6.891 776 HG2 LYS 606 HG2 LYS 606 5.054 -6.423 -5.646 777 HG3 LYS 606 HG3 LYS 606 4.562 -4.785 -6.090 778 HD2 LYS 606 HD2 LYS 606 4.980 -5.291 -8.444 779 HD3 LYS 606 HD3 LYS 606 5.494 -6.920 -8.012 780 HE2 LYS 606 HE2 LYS 606 3.227 -7.313 -7.067 781 HE3 LYS 606 HE3 LYS 606 2.744 -5.736 -7.691 782 HZ1 LYS 606 HZ1 LYS 606 2.127 -7.521 -9.203 783 HZ2 LYS 606 HZ2 LYS 606 3.741 -8.006 -9.327 784 HZ3 LYS 606 HZ3 LYS 606 3.266 -6.499 -9.921 785 H ASN 607 HN ASN 607 9.093 -5.319 -4.932 786 HA ASN 607 HA ASN 607 11.207 -4.375 -6.705 787 HB2 ASN 607 HB2 ASN 607 10.575 -3.919 -3.803 788 HB3 ASN 607 HB3 ASN 607 12.184 -3.576 -4.425 789 HD21 ASN 607 HD21 ASN 607 8.828 -2.651 -4.478 790 HD22 ASN 607 HD22 ASN 607 9.060 -1.134 -5.269 791 H VAL 608 HN VAL 608 11.767 -6.576 -7.310 792 HA VAL 608 HA VAL 608 12.737 -8.518 -5.543 793 HB VAL 608 HB VAL 608 13.715 -7.994 -8.360 794 HG11 VAL 608 HG11 VAL 608 14.272 -10.383 -8.361 795 HG12 VAL 608 HG12 VAL 608 13.786 -10.489 -6.669 796 HG13 VAL 608 HG13 VAL 608 15.169 -9.496 -7.129 797 HG21 VAL 608 HG21 VAL 608 12.041 -9.640 -9.059 798 HG22 VAL 608 HG22 VAL 608 11.291 -8.231 -8.313 799 HG23 VAL 608 HG23 VAL 608 11.445 -9.733 -7.403 800 H ALA 609 HN ALA 609 14.577 -6.187 -7.493 801 HA ALA 609 HA ALA 609 16.619 -6.170 -5.375 802 HB1 ALA 609 HB1 ALA 609 18.203 -5.396 -7.084 803 HB2 ALA 609 HB2 ALA 609 16.930 -5.491 -8.299 804 HB3 ALA 609 HB3 ALA 609 17.502 -6.957 -7.509 805 H ALA 610 HN ALA 610 15.531 -4.001 -7.986 806 HA ALA 610 HA ALA 610 14.582 -2.006 -6.176 807 HB1 ALA 610 HB1 ALA 610 17.108 -1.359 -7.702 808 HB2 ALA 610 HB2 ALA 610 17.024 -1.659 -5.964 809 HB3 ALA 610 HB3 ALA 610 16.195 -0.267 -6.658 810 H ILE 611 HN ILE 611 12.780 -1.460 -7.286 811 HA ILE 611 HA ILE 611 12.718 -1.328 -10.150 812 HB ILE 611 HB ILE 611 10.753 -0.194 -8.146 813 HG12 ILE 611 HG12 ILE 611 10.671 -2.769 -9.737 814 HG13 ILE 611 HG13 ILE 611 10.997 -2.649 -8.012 815 HG21 ILE 611 HG21 ILE 611 9.184 -0.154 -10.050 816 HG22 ILE 611 HG22 ILE 611 10.502 -0.628 -11.120 817 HG23 ILE 611 HG23 ILE 611 10.560 0.924 -10.285 818 HD11 ILE 611 HD11 ILE 611 8.433 -1.883 -9.388 819 HD12 ILE 611 HD12 ILE 611 8.754 -1.745 -7.660 820 HD13 ILE 611 HD13 ILE 611 8.710 -3.334 -8.424 821 H ILE 612 HN ILE 612 14.043 0.111 -11.052 822 HA ILE 612 HA ILE 612 14.778 2.507 -9.673 823 HB ILE 612 HB ILE 612 15.597 1.499 -12.399 824 HG12 ILE 612 HG12 ILE 612 16.939 1.388 -9.687 825 HG13 ILE 612 HG13 ILE 612 16.196 0.031 -10.519 826 HG21 ILE 612 HG21 ILE 612 15.898 3.929 -12.212 827 HG22 ILE 612 HG22 ILE 612 17.449 3.090 -12.235 828 HG23 ILE 612 HG23 ILE 612 16.799 3.700 -10.714 829 HD11 ILE 612 HD11 ILE 612 18.609 -0.025 -10.681 830 HD12 ILE 612 HD12 ILE 612 18.606 1.564 -11.450 831 HD13 ILE 612 HD13 ILE 612 17.873 0.185 -12.271 832 H GLN 613 HN GLN 613 12.577 3.235 -9.622 833 HA GLN 613 HA GLN 613 12.263 5.340 -11.608 834 HB2 GLN 613 HB2 GLN 613 10.046 3.459 -10.760 835 HB3 GLN 613 HB3 GLN 613 9.749 5.013 -11.522 836 HG2 GLN 613 HG2 GLN 613 11.486 2.971 -12.843 837 HG3 GLN 613 HG3 GLN 613 9.732 2.875 -12.957 838 HE21 GLN 613 HE21 GLN 613 11.375 5.952 -12.808 839 HE22 GLN 613 HE22 GLN 613 11.082 6.403 -14.448 840 H ASP 614 HN ASP 614 11.212 3.862 -8.593 841 HA ASP 614 HA ASP 614 11.341 6.494 -7.298 842 HB2 ASP 614 HB2 ASP 614 9.260 4.381 -6.827 843 HB3 ASP 614 HB3 ASP 614 9.443 5.835 -5.865 844 H ILE 615 HN ILE 615 13.399 5.823 -6.704 845 HA ILE 615 HA ILE 615 13.472 3.907 -4.487 846 HB ILE 615 HB ILE 615 15.852 3.399 -5.213 847 HG12 ILE 615 HG12 ILE 615 14.758 4.443 -7.832 848 HG13 ILE 615 HG13 ILE 615 16.036 5.197 -6.879 849 HG21 ILE 615 HG21 ILE 615 13.524 2.409 -6.851 850 HG22 ILE 615 HG22 ILE 615 14.071 1.764 -5.303 851 HG23 ILE 615 HG23 ILE 615 15.096 1.620 -6.731 852 HD11 ILE 615 HD11 ILE 615 16.155 2.474 -8.121 853 HD12 ILE 615 HD12 ILE 615 17.438 3.258 -7.202 854 HD13 ILE 615 HD13 ILE 615 16.924 3.931 -8.749 855 H HIS 616 HN HIS 616 13.113 6.587 -4.103 856 HA HIS 616 HA HIS 616 15.471 8.079 -3.794 857 HB2 HIS 616 HB2 HIS 616 12.805 8.315 -2.391 858 HB3 HIS 616 HB3 HIS 616 14.111 9.480 -2.205 859 HD1 HIS 616 HD1 HIS 616 14.158 11.346 -3.858 860 HD2 HIS 616 HD2 HIS 616 11.855 8.147 -5.168 861 HE1 HIS 616 HE1 HIS 616 13.071 12.122 -5.986 862 HE2 HIS 616 HE2 HIS 616 11.800 10.120 -6.833 863 H SER 617 HN SER 617 16.811 8.433 -2.104 864 HA SER 617 HA SER 617 17.921 8.177 -0.159 865 HB2 SER 617 HB2 SER 617 15.498 6.646 0.798 866 HB3 SER 617 HB3 SER 617 16.835 7.192 1.810 867 HG SER 617 HG SER 617 14.664 8.539 1.037 868 H GLN 618 HN GLN 618 16.224 5.081 -0.803 869 HA GLN 618 HA GLN 618 18.485 3.565 0.090 870 HB2 GLN 618 HB2 GLN 618 16.107 2.620 -1.521 871 HB3 GLN 618 HB3 GLN 618 17.244 1.602 -0.650 872 HG2 GLN 618 HG2 GLN 618 15.323 3.576 0.560 873 HG3 GLN 618 HG3 GLN 618 15.171 1.822 0.576 874 HE21 GLN 618 HE21 GLN 618 18.035 1.417 1.082 875 HE22 GLN 618 HE22 GLN 618 18.279 1.839 2.740 876 H ARG 619 HN ARG 619 17.313 4.729 -2.956 877 HA ARG 619 HA ARG 619 18.211 4.907 -5.004 878 HB2 ARG 619 HB2 ARG 619 20.735 4.150 -3.545 879 HB3 ARG 619 HB3 ARG 619 20.696 4.616 -5.238 880 HG2 ARG 619 HG2 ARG 619 19.668 6.785 -4.521 881 HG3 ARG 619 HG3 ARG 619 19.990 6.302 -2.853 882 HD2 ARG 619 HD2 ARG 619 21.766 7.740 -3.716 883 HD3 ARG 619 HD3 ARG 619 22.369 6.122 -3.358 884 HE ARG 619 HE ARG 619 21.599 6.822 -6.105 885 HH11 ARG 619 HH11 ARG 619 24.058 5.897 -3.795 886 HH12 ARG 619 HH12 ARG 619 25.236 5.518 -5.007 887 HH21 ARG 619 HH21 ARG 619 23.140 6.312 -7.712 888 HH22 ARG 619 HH22 ARG 619 24.714 5.753 -7.242 889 H GLU 620 HN GLU 620 19.905 3.509 -6.529 890 HA GLU 620 HA GLU 620 18.535 1.045 -6.941 891 HB2 GLU 620 HB2 GLU 620 20.143 0.737 -8.794 892 HB3 GLU 620 HB3 GLU 620 19.361 2.313 -8.832 893 HG2 GLU 620 HG2 GLU 620 21.325 3.368 -7.937 894 HG3 GLU 620 HG3 GLU 620 22.105 1.803 -7.707 895 H ARG 621 HN ARG 621 20.029 -0.938 -7.477 896 HA ARG 621 HA ARG 621 21.792 -1.349 -5.157 897 HB2 ARG 621 HB2 ARG 621 20.213 -3.387 -6.743 898 HB3 ARG 621 HB3 ARG 621 21.304 -3.763 -5.419 899 HG2 ARG 621 HG2 ARG 621 18.864 -2.024 -5.134 900 HG3 ARG 621 HG3 ARG 621 18.881 -3.760 -4.823 901 HD2 ARG 621 HD2 ARG 621 19.123 -2.603 -2.732 902 HD3 ARG 621 HD3 ARG 621 20.652 -3.385 -3.123 903 HE ARG 621 HE ARG 621 20.492 -0.634 -3.977 904 HH11 ARG 621 HH11 ARG 621 21.275 -2.775 -1.318 905 HH12 ARG 621 HH12 ARG 621 22.361 -1.652 -0.564 906 HH21 ARG 621 HH21 ARG 621 21.911 0.846 -2.996 907 HH22 ARG 621 HH22 ARG 621 22.738 0.412 -1.532 Start of MODEL 4 1 H1 GLY 510 HT1 GLY 510 17.044 -6.802 3.877 2 H2 GLY 510 HT2 GLY 510 15.600 -6.215 4.526 3 H3 GLY 510 HT3 GLY 510 16.944 -5.199 4.398 4 HA2 GLY 510 HA1 GLY 510 16.850 -5.326 1.991 5 HA3 GLY 510 HA2 GLY 510 15.451 -6.380 2.125 6 H ALA 511 HN ALA 511 16.467 -3.278 3.582 7 HA ALA 511 HA ALA 511 13.733 -2.328 3.479 8 HB1 ALA 511 HB1 ALA 511 14.609 -0.348 4.631 9 HB2 ALA 511 HB2 ALA 511 16.249 -0.969 4.440 10 HB3 ALA 511 HB3 ALA 511 15.087 -1.841 5.439 11 H MET 512 HN MET 512 13.980 -2.642 1.017 12 HA MET 512 HA MET 512 15.241 -0.391 -0.327 13 HB2 MET 512 HB2 MET 512 13.536 -2.623 -1.455 14 HB3 MET 512 HB3 MET 512 14.451 -1.454 -2.395 15 HG2 MET 512 HG2 MET 512 16.531 -2.329 -1.475 16 HG3 MET 512 HG3 MET 512 15.621 -3.491 -0.513 17 HE1 MET 512 HE1 MET 512 15.044 -2.291 -4.233 18 HE2 MET 512 HE2 MET 512 15.929 -3.536 -5.114 19 HE3 MET 512 HE3 MET 512 16.795 -2.414 -4.064 20 H ALA 513 HN ALA 513 12.534 -0.781 1.383 21 HA ALA 513 HA ALA 513 10.960 1.082 -0.262 22 HB1 ALA 513 HB1 ALA 513 9.986 -0.917 1.777 23 HB2 ALA 513 HB2 ALA 513 9.856 -1.076 0.025 24 HB3 ALA 513 HB3 ALA 513 8.973 0.200 0.863 25 H GLN 514 HN GLN 514 9.196 1.998 1.592 26 HA GLN 514 HA GLN 514 8.949 3.676 3.125 27 HB2 GLN 514 HB2 GLN 514 11.191 2.247 4.582 28 HB3 GLN 514 HB3 GLN 514 9.998 3.325 5.293 29 HG2 GLN 514 HG2 GLN 514 9.426 0.647 4.041 30 HG3 GLN 514 HG3 GLN 514 9.519 0.978 5.766 31 HE21 GLN 514 HE21 GLN 514 8.126 3.490 5.667 32 HE22 GLN 514 HE22 GLN 514 6.470 3.111 5.348 33 H ARG 515 HN ARG 515 10.102 4.769 1.158 34 HA ARG 515 HA ARG 515 12.886 5.126 1.161 35 HB2 ARG 515 HB2 ARG 515 10.757 6.691 -0.296 36 HB3 ARG 515 HB3 ARG 515 12.477 6.741 -0.658 37 HG2 ARG 515 HG2 ARG 515 12.432 4.361 -1.212 38 HG3 ARG 515 HG3 ARG 515 10.708 4.310 -0.844 39 HD2 ARG 515 HD2 ARG 515 10.310 5.970 -2.632 40 HD3 ARG 515 HD3 ARG 515 12.029 5.930 -3.023 41 HE ARG 515 HE ARG 515 11.086 3.309 -3.110 42 HH11 ARG 515 HH11 ARG 515 10.561 6.311 -4.845 43 HH12 ARG 515 HH12 ARG 515 10.209 5.521 -6.357 44 HH21 ARG 515 HH21 ARG 515 10.601 2.276 -5.068 45 HH22 ARG 515 HH22 ARG 515 10.229 3.217 -6.480 46 H LYS 516 HN LYS 516 10.415 7.678 1.666 47 HA LYS 516 HA LYS 516 12.478 9.469 2.570 48 HB2 LYS 516 HB2 LYS 516 9.512 9.785 2.189 49 HB3 LYS 516 HB3 LYS 516 10.489 11.040 2.942 50 HG2 LYS 516 HG2 LYS 516 11.891 11.128 0.920 51 HG3 LYS 516 HG3 LYS 516 10.837 9.933 0.163 52 HD2 LYS 516 HD2 LYS 516 8.949 11.464 0.364 53 HD3 LYS 516 HD3 LYS 516 9.984 12.650 1.158 54 HE2 LYS 516 HE2 LYS 516 11.363 12.782 -0.869 55 HE3 LYS 516 HE3 LYS 516 10.302 11.614 -1.657 56 HZ1 LYS 516 HZ1 LYS 516 9.611 14.352 -0.764 57 HZ2 LYS 516 HZ2 LYS 516 8.454 13.222 -1.264 58 HZ3 LYS 516 HZ3 LYS 516 9.640 13.764 -2.349 59 H GLY 517 HN GLY 517 12.836 7.704 4.336 60 HA2 GLY 517 HA2 GLY 517 13.219 7.694 6.610 61 HA3 GLY 517 HA1 GLY 517 12.163 9.088 6.762 62 H ALA 518 HN ALA 518 9.847 8.704 6.769 63 HA ALA 518 HA ALA 518 9.292 6.452 8.476 64 HB1 ALA 518 HB1 ALA 518 7.455 8.653 7.544 65 HB2 ALA 518 HB2 ALA 518 8.413 8.670 9.023 66 HB3 ALA 518 HB3 ALA 518 7.118 7.489 8.825 67 H GLY 519 HN GLY 519 7.157 7.703 5.928 68 HA2 GLY 519 HA2 GLY 519 6.006 6.563 4.262 69 HA3 GLY 519 HA1 GLY 519 7.030 5.164 4.564 70 H ARG 520 HN ARG 520 4.049 5.360 4.242 71 HA ARG 520 HA ARG 520 3.318 4.163 6.818 72 HB2 ARG 520 HB2 ARG 520 1.766 6.340 5.409 73 HB3 ARG 520 HB3 ARG 520 1.159 5.410 6.775 74 HG2 ARG 520 HG2 ARG 520 2.954 6.272 8.176 75 HG3 ARG 520 HG3 ARG 520 3.602 7.175 6.807 76 HD2 ARG 520 HD2 ARG 520 2.349 8.690 8.152 77 HD3 ARG 520 HD3 ARG 520 1.430 8.393 6.681 78 HE ARG 520 HE ARG 520 0.475 6.580 8.514 79 HH11 ARG 520 HH11 ARG 520 0.778 10.059 8.355 80 HH12 ARG 520 HH12 ARG 520 -0.629 10.355 9.324 81 HH21 ARG 520 HH21 ARG 520 -1.372 6.966 9.806 82 HH22 ARG 520 HH22 ARG 520 -1.852 8.597 10.149 83 H VAL 521 HN VAL 521 1.662 2.679 6.779 84 HA VAL 521 HA VAL 521 1.079 1.525 4.157 85 HB VAL 521 HB VAL 521 0.765 0.398 6.947 86 HG11 VAL 521 HG11 VAL 521 0.082 -1.697 5.900 87 HG12 VAL 521 HG12 VAL 521 0.131 -0.933 4.312 88 HG13 VAL 521 HG13 VAL 521 -1.055 -0.407 5.507 89 HG21 VAL 521 HG21 VAL 521 2.453 -1.223 6.167 90 HG22 VAL 521 HG22 VAL 521 3.055 0.437 6.169 91 HG23 VAL 521 HG23 VAL 521 2.580 -0.328 4.652 92 H VAL 522 HN VAL 522 -0.919 1.407 3.322 93 HA VAL 522 HA VAL 522 -3.113 2.672 4.825 94 HB VAL 522 HB VAL 522 -2.848 2.205 1.850 95 HG11 VAL 522 HG11 VAL 522 -4.767 3.680 1.659 96 HG12 VAL 522 HG12 VAL 522 -4.894 3.743 3.418 97 HG13 VAL 522 HG13 VAL 522 -5.149 2.219 2.566 98 HG21 VAL 522 HG21 VAL 522 -1.248 3.861 2.620 99 HG22 VAL 522 HG22 VAL 522 -2.534 4.726 3.462 100 HG23 VAL 522 HG23 VAL 522 -2.542 4.633 1.702 101 H HIS 523 HN HIS 523 -4.964 1.495 5.288 102 HA HIS 523 HA HIS 523 -5.017 -1.231 4.193 103 HB2 HIS 523 HB2 HIS 523 -6.263 -1.996 6.113 104 HB3 HIS 523 HB3 HIS 523 -4.788 -1.216 6.644 105 HD1 HIS 523 HD1 HIS 523 -5.239 -0.101 8.782 106 HD2 HIS 523 HD2 HIS 523 -8.451 0.244 6.179 107 HE1 HIS 523 HE1 HIS 523 -6.958 1.252 10.012 108 HE2 HIS 523 HE2 HIS 523 -8.981 1.206 8.527 109 H ILE 524 HN ILE 524 -6.796 -2.043 3.271 110 HA ILE 524 HA ILE 524 -8.958 -0.126 2.712 111 HB ILE 524 HB ILE 524 -7.822 -2.292 0.941 112 HG12 ILE 524 HG12 ILE 524 -7.855 0.719 0.675 113 HG13 ILE 524 HG13 ILE 524 -6.454 -0.257 1.097 114 HG21 ILE 524 HG21 ILE 524 -9.394 -1.405 -0.772 115 HG22 ILE 524 HG22 ILE 524 -10.179 -0.471 0.502 116 HG23 ILE 524 HG23 ILE 524 -10.180 -2.235 0.571 117 HD11 ILE 524 HD11 ILE 524 -6.457 0.483 -1.245 118 HD12 ILE 524 HD12 ILE 524 -7.945 -0.426 -1.510 119 HD13 ILE 524 HD13 ILE 524 -6.459 -1.270 -1.082 120 H CYS 525 HN CYS 525 -11.034 -0.776 2.939 121 HA CYS 525 HA CYS 525 -11.507 -3.543 3.817 122 HB2 CYS 525 HB2 CYS 525 -13.304 -2.531 5.316 123 HB3 CYS 525 HB3 CYS 525 -11.636 -2.268 5.803 124 HG CYS 525 HG CYS 525 -13.995 -0.064 5.209 125 H ASN 526 HN ASN 526 -14.025 -3.915 3.847 126 HA ASN 526 HA ASN 526 -15.948 -4.208 2.683 127 HB2 ASN 526 HB2 ASN 526 -15.162 -1.629 1.308 128 HB3 ASN 526 HB3 ASN 526 -16.682 -2.469 1.030 129 HD21 ASN 526 HD21 ASN 526 -16.234 0.192 2.036 130 HD22 ASN 526 HD22 ASN 526 -16.959 0.262 3.605 131 H LEU 527 HN LEU 527 -13.423 -5.339 1.871 132 HA LEU 527 HA LEU 527 -13.456 -5.341 -1.034 133 HB2 LEU 527 HB2 LEU 527 -11.664 -6.613 1.031 134 HB3 LEU 527 HB1 LEU 527 -11.477 -6.893 -0.690 135 HG LEU 527 HG LEU 527 -11.361 -4.142 0.543 136 HD11 LEU 527 HD11 LEU 527 -9.057 -5.941 -0.199 137 HD12 LEU 527 HD12 LEU 527 -9.562 -5.564 1.449 138 HD13 LEU 527 HD13 LEU 527 -8.952 -4.281 0.399 139 HD21 LEU 527 HD21 LEU 527 -10.537 -5.256 -2.131 140 HD22 LEU 527 HD22 LEU 527 -10.225 -3.612 -1.578 141 HD23 LEU 527 HD23 LEU 527 -11.884 -4.163 -1.813 142 HA PRO 528 HA PRO 528 -16.001 -9.061 -1.019 143 HB2 PRO 528 HB2 PRO 528 -15.942 -9.404 -3.737 144 HB3 PRO 528 HB3 PRO 528 -17.070 -8.330 -2.903 145 HG2 PRO 528 HG2 PRO 528 -14.526 -7.675 -4.325 146 HG3 PRO 528 HG3 PRO 528 -16.061 -6.788 -4.303 147 HD2 PRO 528 HD2 PRO 528 -13.918 -6.043 -2.827 148 HD3 PRO 528 HD3 PRO 528 -15.590 -5.773 -2.291 149 H GLU 529 HN GLU 529 -15.324 -11.062 -0.735 150 HA GLU 529 HA GLU 529 -12.596 -11.755 -1.055 151 HB2 GLU 529 HB2 GLU 529 -14.991 -13.464 -0.380 152 HB3 GLU 529 HB3 GLU 529 -13.316 -13.984 -0.251 153 HG2 GLU 529 HG2 GLU 529 -12.892 -12.260 1.411 154 HG3 GLU 529 HG3 GLU 529 -14.560 -11.705 1.270 155 H GLY 530 HN GLY 530 -11.582 -12.530 -2.773 156 HA2 GLY 530 HA2 GLY 530 -11.211 -14.056 -4.495 157 HA3 GLY 530 HA1 GLY 530 -12.915 -14.469 -4.468 158 H SER 531 HN SER 531 -13.380 -11.391 -4.601 159 HA SER 531 HA SER 531 -13.443 -11.412 -7.513 160 HB2 SER 531 HB2 SER 531 -15.451 -10.820 -5.990 161 HB3 SER 531 HB3 SER 531 -14.645 -9.262 -5.786 162 HG SER 531 HG SER 531 -15.027 -10.292 -8.373 163 H CYS 532 HN CYS 532 -12.052 -9.592 -4.848 164 HA CYS 532 HA CYS 532 -10.838 -7.669 -6.638 165 HB2 CYS 532 HB2 CYS 532 -10.493 -8.115 -3.667 166 HB3 CYS 532 HB3 CYS 532 -9.767 -6.793 -4.576 167 HG CYS 532 HG CYS 532 -11.997 -5.389 -5.012 168 H THR 533 HN THR 533 -8.825 -7.745 -7.440 169 HA THR 533 HA THR 533 -7.214 -10.092 -6.715 170 HB THR 533 HB THR 533 -6.045 -9.796 -8.830 171 HG1 THR 533 HG1 THR 533 -7.775 -7.540 -9.186 172 HG21 THR 533 HG21 THR 533 -7.903 -10.222 -10.396 173 HG22 THR 533 HG22 THR 533 -9.043 -9.696 -9.157 174 HG23 THR 533 HG23 THR 533 -8.060 -11.138 -8.898 175 H GLU 534 HN GLU 534 -4.771 -9.665 -6.927 176 HA GLU 534 HA GLU 534 -3.927 -7.793 -5.062 177 HB2 GLU 534 HB2 GLU 534 -2.248 -8.779 -7.374 178 HB3 GLU 534 HB3 GLU 534 -1.683 -8.241 -5.799 179 HG2 GLU 534 HG2 GLU 534 -2.802 -10.184 -4.770 180 HG3 GLU 534 HG3 GLU 534 -3.266 -10.735 -6.378 181 H ASN 535 HN ASN 535 -4.218 -7.570 -8.549 182 HA ASN 535 HA ASN 535 -2.826 -5.172 -8.932 183 HB2 ASN 535 HB2 ASN 535 -3.404 -6.771 -10.737 184 HB3 ASN 535 HB3 ASN 535 -5.090 -6.281 -10.602 185 HD21 ASN 535 HD21 ASN 535 -5.742 -4.340 -11.472 186 HD22 ASN 535 HD22 ASN 535 -4.716 -3.355 -12.458 187 H ASP 536 HN ASP 536 -6.289 -5.752 -8.309 188 HA ASP 536 HA ASP 536 -7.165 -3.136 -8.880 189 HB2 ASP 536 HB2 ASP 536 -8.352 -5.070 -6.875 190 HB3 ASP 536 HB3 ASP 536 -9.140 -3.636 -7.515 191 H VAL 537 HN VAL 537 -6.210 -4.648 -5.846 192 HA VAL 537 HA VAL 537 -6.832 -2.452 -4.193 193 HB VAL 537 HB VAL 537 -4.907 -4.733 -3.726 194 HG11 VAL 537 HG11 VAL 537 -4.618 -2.720 -2.235 195 HG12 VAL 537 HG12 VAL 537 -4.965 -4.245 -1.422 196 HG13 VAL 537 HG13 VAL 537 -6.245 -3.052 -1.632 197 HG21 VAL 537 HG21 VAL 537 -7.159 -5.504 -4.193 198 HG22 VAL 537 HG22 VAL 537 -7.806 -4.400 -2.978 199 HG23 VAL 537 HG23 VAL 537 -6.773 -5.743 -2.488 200 H ILE 538 HN ILE 538 -3.793 -3.548 -5.653 201 HA ILE 538 HA ILE 538 -2.140 -1.531 -4.583 202 HB ILE 538 HB ILE 538 -1.848 -3.120 -7.139 203 HG12 ILE 538 HG12 ILE 538 -0.558 -3.524 -4.431 204 HG13 ILE 538 HG13 ILE 538 -1.956 -4.425 -5.010 205 HG21 ILE 538 HG21 ILE 538 0.530 -2.530 -7.037 206 HG22 ILE 538 HG22 ILE 538 0.206 -1.481 -5.659 207 HG23 ILE 538 HG23 ILE 538 -0.489 -1.104 -7.234 208 HD11 ILE 538 HD11 ILE 538 -0.611 -5.315 -6.847 209 HD12 ILE 538 HD12 ILE 538 0.074 -5.713 -5.271 210 HD13 ILE 538 HD13 ILE 538 0.788 -4.426 -6.244 211 H ASN 539 HN ASN 539 -3.954 -1.761 -7.612 212 HA ASN 539 HA ASN 539 -2.956 0.611 -8.760 213 HB2 ASN 539 HB2 ASN 539 -5.336 -1.112 -9.328 214 HB3 ASN 539 HB3 ASN 539 -5.152 0.434 -10.147 215 HD21 ASN 539 HD21 ASN 539 -2.414 -1.529 -9.230 216 HD22 ASN 539 HD22 ASN 539 -1.963 -1.983 -10.833 217 H LEU 540 HN LEU 540 -5.520 0.075 -6.460 218 HA LEU 540 HA LEU 540 -6.843 2.548 -6.958 219 HB2 LEU 540 HB2 LEU 540 -6.947 0.700 -4.589 220 HB3 LEU 540 HB1 LEU 540 -7.957 2.122 -4.767 221 HG LEU 540 HG LEU 540 -7.980 -0.347 -6.497 222 HD11 LEU 540 HD11 LEU 540 -9.100 -0.593 -4.365 223 HD12 LEU 540 HD12 LEU 540 -10.275 -0.544 -5.681 224 HD13 LEU 540 HD13 LEU 540 -10.030 0.878 -4.665 225 HD21 LEU 540 HD21 LEU 540 -9.864 0.750 -7.673 226 HD22 LEU 540 HD22 LEU 540 -8.316 1.546 -7.941 227 HD23 LEU 540 HD23 LEU 540 -9.485 2.247 -6.822 228 H GLY 541 HN GLY 541 -4.215 1.616 -4.818 229 HA2 GLY 541 HA2 GLY 541 -4.307 4.109 -3.360 230 HA3 GLY 541 HA1 GLY 541 -3.050 2.887 -3.254 231 H LEU 542 HN LEU 542 -2.619 2.831 -6.096 232 HA LEU 542 HA LEU 542 -0.409 4.464 -6.237 233 HB2 LEU 542 HB2 LEU 542 -2.007 3.127 -8.385 234 HB3 LEU 542 HB1 LEU 542 -0.559 4.044 -8.752 235 HG LEU 542 HG LEU 542 -0.656 1.653 -6.912 236 HD11 LEU 542 HD11 LEU 542 -1.103 1.016 -9.219 237 HD12 LEU 542 HD12 LEU 542 0.498 0.479 -8.717 238 HD13 LEU 542 HD13 LEU 542 0.327 1.897 -9.748 239 HD21 LEU 542 HD21 LEU 542 1.118 3.194 -6.333 240 HD22 LEU 542 HD22 LEU 542 1.644 3.257 -8.014 241 HD23 LEU 542 HD23 LEU 542 1.791 1.757 -7.099 242 HA PRO 543 HA PRO 543 -3.011 7.419 -9.282 243 HB2 PRO 543 HB2 PRO 543 -5.248 7.730 -7.305 244 HB3 PRO 543 HB3 PRO 543 -5.272 7.891 -9.070 245 HG2 PRO 543 HG2 PRO 543 -6.195 5.700 -7.956 246 HG3 PRO 543 HG3 PRO 543 -5.158 5.578 -9.392 247 HD2 PRO 543 HD2 PRO 543 -4.487 5.080 -6.524 248 HD3 PRO 543 HD3 PRO 543 -3.949 4.212 -7.974 249 H PHE 544 HN PHE 544 -3.169 7.749 -5.706 250 HA PHE 544 HA PHE 544 -2.188 10.497 -6.096 251 HB2 PHE 544 HB2 PHE 544 -3.765 9.300 -3.835 252 HB3 PHE 544 HB1 PHE 544 -2.984 10.877 -3.724 253 HD1 PHE 544 HD1 PHE 544 -5.550 8.928 -5.510 254 HD2 PHE 544 HD2 PHE 544 -3.914 12.782 -4.763 255 HE1 PHE 544 HE1 PHE 544 -7.481 9.957 -6.627 256 HE2 PHE 544 HE2 PHE 544 -5.846 13.821 -5.874 257 HZ PHE 544 HZ PHE 544 -7.632 12.409 -6.810 258 H GLY 545 HN GLY 545 -1.306 7.447 -4.855 259 HA2 GLY 545 HA2 GLY 545 1.140 8.655 -3.730 260 HA3 GLY 545 HA1 GLY 545 0.338 7.293 -2.972 261 H LYS 546 HN LYS 546 2.219 6.072 -3.104 262 HA LYS 546 HA LYS 546 2.508 4.708 -5.649 263 HB2 LYS 546 HB2 LYS 546 4.227 6.484 -5.694 264 HB3 LYS 546 HB3 LYS 546 4.881 5.861 -4.183 265 HG2 LYS 546 HG2 LYS 546 5.378 3.728 -5.281 266 HG3 LYS 546 HG3 LYS 546 4.736 4.375 -6.794 267 HD2 LYS 546 HD2 LYS 546 6.457 6.195 -6.645 268 HD3 LYS 546 HD3 LYS 546 7.168 5.314 -5.289 269 HE2 LYS 546 HE2 LYS 546 8.293 4.813 -7.414 270 HE3 LYS 546 HE3 LYS 546 7.547 3.385 -6.701 271 HZ1 LYS 546 HZ1 LYS 546 5.771 3.499 -8.245 272 HZ2 LYS 546 HZ2 LYS 546 7.198 3.653 -9.140 273 HZ3 LYS 546 HZ3 LYS 546 6.254 5.017 -8.812 274 H VAL 547 HN VAL 547 3.090 2.578 -5.428 275 HA VAL 547 HA VAL 547 2.970 1.571 -2.689 276 HB VAL 547 HB VAL 547 2.320 0.233 -5.317 277 HG11 VAL 547 HG11 VAL 547 1.487 -1.627 -3.948 278 HG12 VAL 547 HG12 VAL 547 2.111 -0.826 -2.506 279 HG13 VAL 547 HG13 VAL 547 3.224 -1.380 -3.756 280 HG21 VAL 547 HG21 VAL 547 0.671 1.886 -4.663 281 HG22 VAL 547 HG22 VAL 547 0.562 1.172 -3.055 282 HG23 VAL 547 HG23 VAL 547 0.014 0.263 -4.462 283 H THR 548 HN THR 548 4.578 0.456 -1.834 284 HA THR 548 HA THR 548 6.832 -0.339 -3.539 285 HB THR 548 HB THR 548 8.087 -0.456 -1.345 286 HG1 THR 548 HG1 THR 548 6.844 -0.299 0.365 287 HG21 THR 548 HG21 THR 548 8.419 1.950 -1.192 288 HG22 THR 548 HG22 THR 548 6.922 2.227 -2.080 289 HG23 THR 548 HG23 THR 548 8.292 1.456 -2.882 290 H ASN 549 HN ASN 549 4.541 -1.496 -1.177 291 HA ASN 549 HA ASN 549 5.043 -4.256 -1.898 292 HB2 ASN 549 HB2 ASN 549 5.524 -3.226 0.902 293 HB3 ASN 549 HB3 ASN 549 5.093 -4.902 0.595 294 HD21 ASN 549 HD21 ASN 549 7.565 -2.543 0.569 295 HD22 ASN 549 HD22 ASN 549 8.848 -3.573 0.030 296 H TYR 550 HN TYR 550 3.375 -5.700 -0.800 297 HA TYR 550 HA TYR 550 1.067 -4.261 0.238 298 HB2 TYR 550 HB2 TYR 550 -0.494 -5.269 -1.339 299 HB3 TYR 550 HB3 TYR 550 0.719 -4.342 -2.216 300 HD1 TYR 550 HD1 TYR 550 -0.645 -7.651 -1.570 301 HD2 TYR 550 HD2 TYR 550 2.451 -5.502 -3.539 302 HE1 TYR 550 HE1 TYR 550 -0.142 -9.632 -2.925 303 HE2 TYR 550 HE2 TYR 550 2.964 -7.485 -4.904 304 HH TYR 550 HH TYR 550 0.890 -10.305 -4.868 305 H ILE 551 HN ILE 551 -0.295 -5.530 1.508 306 HA ILE 551 HA ILE 551 0.277 -8.409 1.649 307 HB ILE 551 HB ILE 551 0.015 -6.533 4.014 308 HG12 ILE 551 HG12 ILE 551 2.117 -8.537 3.157 309 HG13 ILE 551 HG13 ILE 551 2.280 -6.790 3.210 310 HG21 ILE 551 HG21 ILE 551 -1.464 -8.433 4.397 311 HG22 ILE 551 HG22 ILE 551 -0.056 -8.520 5.454 312 HG23 ILE 551 HG23 ILE 551 -0.151 -9.550 4.027 313 HD11 ILE 551 HD11 ILE 551 3.437 -7.830 5.063 314 HD12 ILE 551 HD12 ILE 551 1.945 -8.613 5.581 315 HD13 ILE 551 HD13 ILE 551 2.089 -6.857 5.650 316 H LEU 552 HN LEU 552 -1.512 -9.539 1.329 317 HA LEU 552 HA LEU 552 -4.077 -8.110 1.500 318 HB2 LEU 552 HB2 LEU 552 -3.107 -10.241 -0.390 319 HB3 LEU 552 HB1 LEU 552 -4.787 -9.749 -0.284 320 HG LEU 552 HG LEU 552 -2.559 -7.819 -0.914 321 HD11 LEU 552 HD11 LEU 552 -2.702 -9.593 -2.633 322 HD12 LEU 552 HD12 LEU 552 -3.198 -8.014 -3.242 323 HD13 LEU 552 HD13 LEU 552 -4.416 -9.224 -2.837 324 HD21 LEU 552 HD21 LEU 552 -5.552 -7.692 -1.186 325 HD22 LEU 552 HD22 LEU 552 -4.420 -6.468 -1.773 326 HD23 LEU 552 HD23 LEU 552 -4.549 -6.794 -0.047 327 H MET 553 HN MET 553 -5.158 -8.748 3.263 328 HA MET 553 HA MET 553 -5.290 -11.641 3.780 329 HB2 MET 553 HB2 MET 553 -5.970 -9.329 5.612 330 HB3 MET 553 HB3 MET 553 -6.142 -11.030 6.025 331 HG2 MET 553 HG2 MET 553 -3.730 -11.335 5.760 332 HG3 MET 553 HG3 MET 553 -3.565 -9.626 5.364 333 HE1 MET 553 HE1 MET 553 -1.939 -9.792 8.897 334 HE2 MET 553 HE2 MET 553 -1.739 -9.311 7.211 335 HE3 MET 553 HE3 MET 553 -1.850 -11.019 7.633 336 H LYS 554 HN LYS 554 -6.772 -12.034 2.146 337 HA LYS 554 HA LYS 554 -9.128 -10.504 1.758 338 HB2 LYS 554 HB2 LYS 554 -8.437 -13.290 0.811 339 HB3 LYS 554 HB3 LYS 554 -9.779 -12.323 0.218 340 HG2 LYS 554 HG2 LYS 554 -6.903 -11.453 0.029 341 HG3 LYS 554 HG3 LYS 554 -7.737 -12.353 -1.237 342 HD2 LYS 554 HD2 LYS 554 -9.389 -10.549 -1.421 343 HD3 LYS 554 HD3 LYS 554 -8.544 -9.652 -0.157 344 HE2 LYS 554 HE2 LYS 554 -7.943 -8.830 -2.379 345 HE3 LYS 554 HE3 LYS 554 -6.552 -9.532 -1.558 346 HZ1 LYS 554 HZ1 LYS 554 -6.974 -11.596 -2.833 347 HZ2 LYS 554 HZ2 LYS 554 -6.560 -10.281 -3.805 348 HZ3 LYS 554 HZ3 LYS 554 -8.172 -10.783 -3.710 349 H SER 555 HN SER 555 -8.351 -13.270 3.715 350 HA SER 555 HA SER 555 -10.960 -14.260 4.111 351 HB2 SER 555 HB2 SER 555 -9.952 -15.418 6.076 352 HB3 SER 555 HB3 SER 555 -9.021 -15.625 4.592 353 HG SER 555 HG SER 555 -8.025 -14.880 6.799 354 H THR 556 HN THR 556 -9.168 -11.678 5.653 355 HA THR 556 HA THR 556 -11.261 -11.406 7.680 356 HB THR 556 HB THR 556 -9.715 -9.820 8.792 357 HG1 THR 556 HG1 THR 556 -8.416 -9.049 7.196 358 HG21 THR 556 HG21 THR 556 -8.532 -12.525 8.151 359 HG22 THR 556 HG22 THR 556 -9.698 -12.176 9.428 360 HG23 THR 556 HG23 THR 556 -8.070 -11.503 9.510 361 H ASN 557 HN ASN 557 -11.124 -10.494 4.701 362 HA ASN 557 HA ASN 557 -11.974 -8.802 3.425 363 HB2 ASN 557 HB2 ASN 557 -13.816 -9.158 5.223 364 HB3 ASN 557 HB3 ASN 557 -13.217 -7.657 5.915 365 HD21 ASN 557 HD21 ASN 557 -15.021 -9.117 3.417 366 HD22 ASN 557 HD22 ASN 557 -15.565 -7.673 2.642 367 H GLN 558 HN GLN 558 -9.373 -8.375 4.276 368 HA GLN 558 HA GLN 558 -9.310 -5.461 4.513 369 HB2 GLN 558 HB2 GLN 558 -7.779 -7.347 6.311 370 HB3 GLN 558 HB3 GLN 558 -7.477 -5.620 6.201 371 HG2 GLN 558 HG2 GLN 558 -10.210 -6.602 6.894 372 HG3 GLN 558 HG3 GLN 558 -8.939 -6.594 8.118 373 HE21 GLN 558 HE21 GLN 558 -9.232 -4.193 5.558 374 HE22 GLN 558 HE22 GLN 558 -9.640 -2.878 6.599 375 H ALA 559 HN ALA 559 -7.509 -4.495 3.614 376 HA ALA 559 HA ALA 559 -5.396 -6.246 2.583 377 HB1 ALA 559 HB1 ALA 559 -6.941 -5.748 0.725 378 HB2 ALA 559 HB2 ALA 559 -5.338 -5.052 0.475 379 HB3 ALA 559 HB3 ALA 559 -6.676 -4.024 0.992 380 H PHE 560 HN PHE 560 -3.361 -5.342 2.633 381 HA PHE 560 HA PHE 560 -3.187 -2.629 3.756 382 HB2 PHE 560 HB2 PHE 560 -1.306 -4.943 4.276 383 HB3 PHE 560 HB1 PHE 560 -1.179 -3.328 4.962 384 HD1 PHE 560 HD1 PHE 560 -2.568 -6.593 5.331 385 HD2 PHE 560 HD2 PHE 560 -3.057 -2.523 6.468 386 HE1 PHE 560 HE1 PHE 560 -3.984 -7.296 7.216 387 HE2 PHE 560 HE2 PHE 560 -4.470 -3.216 8.359 388 HZ PHE 560 HZ PHE 560 -4.936 -5.606 8.734 389 H LEU 561 HN LEU 561 -2.071 -1.227 2.594 390 HA LEU 561 HA LEU 561 -0.384 -2.263 0.415 391 HB2 LEU 561 HB2 LEU 561 -2.677 -1.266 -0.154 392 HB3 LEU 561 HB1 LEU 561 -1.991 0.277 0.309 393 HG LEU 561 HG LEU 561 -0.351 0.129 -1.477 394 HD11 LEU 561 HD11 LEU 561 -0.001 -2.276 -1.497 395 HD12 LEU 561 HD12 LEU 561 -0.440 -1.706 -3.106 396 HD13 LEU 561 HD13 LEU 561 -1.639 -2.527 -2.103 397 HD21 LEU 561 HD21 LEU 561 -3.102 -0.540 -2.516 398 HD22 LEU 561 HD22 LEU 561 -1.843 0.371 -3.351 399 HD23 LEU 561 HD23 LEU 561 -2.620 1.045 -1.919 400 H GLU 562 HN GLU 562 1.622 -1.410 0.255 401 HA GLU 562 HA GLU 562 2.412 0.415 2.414 402 HB2 GLU 562 HB2 GLU 562 3.478 -1.849 2.150 403 HB3 GLU 562 HB3 GLU 562 4.149 -1.282 0.631 404 HG2 GLU 562 HG2 GLU 562 5.350 0.482 1.854 405 HG3 GLU 562 HG3 GLU 562 4.729 -0.184 3.368 406 H MET 563 HN MET 563 3.478 2.316 2.016 407 HA MET 563 HA MET 563 3.432 3.167 -0.798 408 HB2 MET 563 HB2 MET 563 2.933 4.874 1.640 409 HB3 MET 563 HB3 MET 563 2.795 5.378 -0.041 410 HG2 MET 563 HG2 MET 563 1.078 3.383 1.409 411 HG3 MET 563 HG3 MET 563 0.607 4.977 0.822 412 HE1 MET 563 HE1 MET 563 -0.869 2.128 0.275 413 HE2 MET 563 HE2 MET 563 -1.364 2.379 -1.400 414 HE3 MET 563 HE3 MET 563 -1.512 3.694 -0.230 415 H ALA 564 HN ALA 564 5.113 4.150 -1.635 416 HA ALA 564 HA ALA 564 7.667 3.856 -0.520 417 HB1 ALA 564 HB1 ALA 564 6.850 5.679 -2.779 418 HB2 ALA 564 HB2 ALA 564 7.188 3.958 -2.941 419 HB3 ALA 564 HB3 ALA 564 8.470 5.065 -2.455 420 H TYR 565 HN TYR 565 5.410 6.482 -0.428 421 HA TYR 565 HA TYR 565 7.341 8.095 1.083 422 HB2 TYR 565 HB2 TYR 565 5.394 9.197 -0.957 423 HB3 TYR 565 HB3 TYR 565 6.609 10.101 -0.060 424 HD1 TYR 565 HD1 TYR 565 5.891 8.462 -3.103 425 HD2 TYR 565 HD2 TYR 565 9.079 9.326 -0.426 426 HE1 TYR 565 HE1 TYR 565 7.511 8.065 -4.912 427 HE2 TYR 565 HE2 TYR 565 10.706 8.938 -2.225 428 HH TYR 565 HH TYR 565 9.837 8.738 -5.473 429 H THR 566 HN THR 566 6.497 9.151 2.816 430 HA THR 566 HA THR 566 4.040 8.241 3.880 431 HB THR 566 HB THR 566 5.879 8.910 5.348 432 HG1 THR 566 HG1 THR 566 4.401 10.667 6.501 433 HG21 THR 566 HG21 THR 566 6.375 11.297 5.729 434 HG22 THR 566 HG22 THR 566 5.330 11.713 4.370 435 HG23 THR 566 HG23 THR 566 6.797 10.773 4.100 436 H GLU 567 HN GLU 567 4.968 11.084 2.061 437 HA GLU 567 HA GLU 567 2.551 12.529 2.345 438 HB2 GLU 567 HB2 GLU 567 3.301 13.826 0.454 439 HB3 GLU 567 HB3 GLU 567 4.691 13.480 1.473 440 HG2 GLU 567 HG2 GLU 567 5.040 11.469 -0.128 441 HG3 GLU 567 HG3 GLU 567 3.996 12.380 -1.214 442 H ALA 568 HN ALA 568 3.611 10.001 0.195 443 HA ALA 568 HA ALA 568 1.509 10.107 -1.662 444 HB1 ALA 568 HB1 ALA 568 3.571 8.927 -2.130 445 HB2 ALA 568 HB2 ALA 568 2.217 7.802 -2.228 446 HB3 ALA 568 HB3 ALA 568 3.260 7.801 -0.809 447 H ALA 569 HN ALA 569 1.965 8.263 1.316 448 HA ALA 569 HA ALA 569 -0.394 6.719 1.088 449 HB1 ALA 569 HB1 ALA 569 1.556 6.113 2.484 450 HB2 ALA 569 HB2 ALA 569 0.028 6.048 3.358 451 HB3 ALA 569 HB3 ALA 569 1.123 7.410 3.597 452 H GLN 570 HN GLN 570 0.351 9.680 2.891 453 HA GLN 570 HA GLN 570 -2.181 9.823 4.164 454 HB2 GLN 570 HB2 GLN 570 -0.097 11.956 3.674 455 HB3 GLN 570 HB3 GLN 570 -1.499 12.149 4.721 456 HG2 GLN 570 HG2 GLN 570 -0.699 10.390 6.171 457 HG3 GLN 570 HG3 GLN 570 0.663 10.090 5.092 458 HE21 GLN 570 HE21 GLN 570 2.336 11.578 4.994 459 HE22 GLN 570 HE22 GLN 570 2.582 12.768 6.226 460 H ALA 571 HN ALA 571 -0.825 11.389 1.276 461 HA ALA 571 HA ALA 571 -2.953 13.165 0.826 462 HB1 ALA 571 HB1 ALA 571 -1.049 11.992 -1.194 463 HB2 ALA 571 HB2 ALA 571 -0.759 13.430 -0.215 464 HB3 ALA 571 HB3 ALA 571 -2.048 13.427 -1.419 465 H MET 572 HN MET 572 -2.367 9.877 -0.404 466 HA MET 572 HA MET 572 -4.574 9.866 -2.153 467 HB2 MET 572 HB2 MET 572 -4.200 7.555 -2.429 468 HB3 MET 572 HB3 MET 572 -2.614 8.245 -2.146 469 HG2 MET 572 HG2 MET 572 -2.590 7.432 0.106 470 HG3 MET 572 HG3 MET 572 -4.267 6.908 -0.019 471 HE1 MET 572 HE1 MET 572 -1.391 6.546 -2.706 472 HE2 MET 572 HE2 MET 572 -0.703 5.002 -2.202 473 HE3 MET 572 HE3 MET 572 -0.614 6.401 -1.129 474 H VAL 573 HN VAL 573 -4.197 8.840 1.201 475 HA VAL 573 HA VAL 573 -6.757 7.680 1.408 476 HB VAL 573 HB VAL 573 -4.824 8.602 3.523 477 HG11 VAL 573 HG11 VAL 573 -6.931 8.724 4.581 478 HG12 VAL 573 HG12 VAL 573 -6.277 7.145 5.018 479 HG13 VAL 573 HG13 VAL 573 -7.504 7.275 3.761 480 HG21 VAL 573 HG21 VAL 573 -5.625 5.895 2.462 481 HG22 VAL 573 HG22 VAL 573 -4.512 6.173 3.804 482 HG23 VAL 573 HG23 VAL 573 -4.089 6.720 2.179 483 H GLN 574 HN GLN 574 -5.553 10.929 2.117 484 HA GLN 574 HA GLN 574 -7.861 11.893 3.374 485 HB2 GLN 574 HB2 GLN 574 -5.877 13.347 1.617 486 HB3 GLN 574 HB3 GLN 574 -7.120 14.145 2.568 487 HG2 GLN 574 HG2 GLN 574 -4.851 12.484 3.633 488 HG3 GLN 574 HG3 GLN 574 -4.989 14.239 3.699 489 HE21 GLN 574 HE21 GLN 574 -7.839 14.183 4.300 490 HE22 GLN 574 HE22 GLN 574 -7.979 13.666 5.945 491 H TYR 575 HN TYR 575 -7.014 11.590 -0.028 492 HA TYR 575 HA TYR 575 -9.445 12.677 -1.014 493 HB2 TYR 575 HB2 TYR 575 -7.365 12.415 -2.375 494 HB3 TYR 575 HB3 TYR 575 -7.648 10.677 -2.385 495 HD1 TYR 575 HD1 TYR 575 -8.980 13.932 -3.504 496 HD2 TYR 575 HD2 TYR 575 -9.250 9.704 -3.863 497 HE1 TYR 575 HE1 TYR 575 -10.423 14.195 -5.477 498 HE2 TYR 575 HE2 TYR 575 -10.691 9.956 -5.837 499 HH TYR 575 HH TYR 575 -11.028 12.863 -7.497 500 H TYR 576 HN TYR 576 -8.384 9.343 -0.346 501 HA TYR 576 HA TYR 576 -10.777 8.235 -1.454 502 HB2 TYR 576 HB2 TYR 576 -8.698 6.887 0.261 503 HB3 TYR 576 HB3 TYR 576 -9.939 6.081 -0.691 504 HD1 TYR 576 HD1 TYR 576 -6.799 5.947 -0.736 505 HD2 TYR 576 HD2 TYR 576 -9.712 7.858 -3.167 506 HE1 TYR 576 HE1 TYR 576 -5.250 5.881 -2.625 507 HE2 TYR 576 HE2 TYR 576 -8.164 7.803 -5.077 508 HH TYR 576 HH TYR 576 -5.467 5.890 -5.178 509 H GLN 577 HN GLN 577 -10.003 9.387 1.714 510 HA GLN 577 HA GLN 577 -12.094 7.853 2.956 511 HB2 GLN 577 HB2 GLN 577 -10.428 10.178 3.895 512 HB3 GLN 577 HB3 GLN 577 -11.785 9.579 4.841 513 HG2 GLN 577 HG2 GLN 577 -10.677 7.323 4.768 514 HG3 GLN 577 HG3 GLN 577 -9.273 8.131 4.073 515 HE21 GLN 577 HE21 GLN 577 -11.220 7.699 6.905 516 HE22 GLN 577 HE22 GLN 577 -10.127 8.426 8.022 517 H GLU 578 HN GLU 578 -11.859 10.852 1.267 518 HA GLU 578 HA GLU 578 -14.572 11.618 2.054 519 HB2 GLU 578 HB2 GLU 578 -12.557 13.106 0.360 520 HB3 GLU 578 HB3 GLU 578 -14.103 13.737 0.915 521 HG2 GLU 578 HG2 GLU 578 -11.739 12.990 2.621 522 HG3 GLU 578 HG3 GLU 578 -12.325 14.615 2.271 523 H LYS 579 HN LYS 579 -12.642 10.775 -0.771 524 HA LYS 579 HA LYS 579 -15.130 10.076 -2.190 525 HB2 LYS 579 HB2 LYS 579 -12.652 11.351 -3.371 526 HB3 LYS 579 HB3 LYS 579 -13.991 10.713 -4.313 527 HG2 LYS 579 HG2 LYS 579 -15.492 12.346 -3.309 528 HG3 LYS 579 HG3 LYS 579 -14.162 12.980 -2.338 529 HD2 LYS 579 HD2 LYS 579 -14.507 14.401 -4.259 530 HD3 LYS 579 HD3 LYS 579 -12.966 13.559 -4.425 531 HE2 LYS 579 HE2 LYS 579 -14.034 11.927 -5.914 532 HE3 LYS 579 HE3 LYS 579 -15.561 12.793 -5.758 533 HZ1 LYS 579 HZ1 LYS 579 -14.435 13.406 -7.785 534 HZ2 LYS 579 HZ2 LYS 579 -13.055 13.868 -6.928 535 HZ3 LYS 579 HZ3 LYS 579 -14.493 14.738 -6.744 536 HA PRO 580 HA PRO 580 -12.311 6.482 -1.561 537 HB2 PRO 580 HB2 PRO 580 -14.834 4.995 -1.315 538 HB3 PRO 580 HB3 PRO 580 -13.496 5.146 -0.167 539 HG2 PRO 580 HG2 PRO 580 -15.860 6.336 0.291 540 HG3 PRO 580 HG3 PRO 580 -14.326 7.108 0.754 541 HD2 PRO 580 HD2 PRO 580 -16.031 7.607 -1.671 542 HD3 PRO 580 HD3 PRO 580 -15.287 8.779 -0.558 543 H ALA 581 HN ALA 581 -12.022 4.470 -2.711 544 HA ALA 581 HA ALA 581 -12.825 4.774 -5.500 545 HB1 ALA 581 HB1 ALA 581 -10.428 4.484 -4.922 546 HB2 ALA 581 HB2 ALA 581 -11.036 3.243 -6.017 547 HB3 ALA 581 HB3 ALA 581 -10.805 2.872 -4.308 548 H ILE 582 HN ILE 582 -13.532 2.875 -6.729 549 HA ILE 582 HA ILE 582 -15.283 1.242 -5.011 550 HB ILE 582 HB ILE 582 -15.993 2.478 -7.677 551 HG12 ILE 582 HG12 ILE 582 -16.839 3.206 -4.867 552 HG13 ILE 582 HG13 ILE 582 -15.813 4.163 -5.915 553 HG21 ILE 582 HG21 ILE 582 -18.253 1.705 -7.213 554 HG22 ILE 582 HG22 ILE 582 -17.703 0.963 -5.711 555 HG23 ILE 582 HG23 ILE 582 -17.127 0.348 -7.258 556 HD11 ILE 582 HD11 ILE 582 -18.069 5.046 -5.830 557 HD12 ILE 582 HD12 ILE 582 -18.704 3.505 -6.406 558 HD13 ILE 582 HD13 ILE 582 -17.674 4.482 -7.454 559 H ILE 583 HN ILE 583 -15.241 -0.889 -5.331 560 HA ILE 583 HA ILE 583 -14.381 -1.890 -7.975 561 HB ILE 583 HB ILE 583 -13.976 -3.190 -5.275 562 HG12 ILE 583 HG12 ILE 583 -12.028 -2.212 -7.372 563 HG13 ILE 583 HG13 ILE 583 -12.267 -1.545 -5.759 564 HG21 ILE 583 HG21 ILE 583 -12.946 -5.057 -6.501 565 HG22 ILE 583 HG22 ILE 583 -13.449 -4.317 -8.020 566 HG23 ILE 583 HG23 ILE 583 -14.661 -4.878 -6.869 567 HD11 ILE 583 HD11 ILE 583 -11.487 -3.701 -4.815 568 HD12 ILE 583 HD12 ILE 583 -10.264 -2.861 -5.769 569 HD13 ILE 583 HD13 ILE 583 -11.125 -4.242 -6.453 570 H ASN 584 HN ASN 584 -15.949 -2.869 -9.061 571 HA ASN 584 HA ASN 584 -17.844 -4.015 -9.600 572 HB2 ASN 584 HB2 ASN 584 -17.551 -5.217 -6.841 573 HB3 ASN 584 HB3 ASN 584 -18.569 -5.839 -8.131 574 HD21 ASN 584 HD21 ASN 584 -16.387 -7.055 -6.656 575 HD22 ASN 584 HD22 ASN 584 -15.247 -7.584 -7.842 576 H GLY 585 HN GLY 585 -18.105 -1.417 -8.379 577 HA2 GLY 585 HA2 GLY 585 -19.935 -0.089 -7.858 578 HA3 GLY 585 HA1 GLY 585 -20.914 -1.544 -7.738 579 H GLU 586 HN GLU 586 -18.218 -2.024 -5.887 580 HA GLU 586 HA GLU 586 -19.663 -1.242 -3.455 581 HB2 GLU 586 HB2 GLU 586 -17.303 -3.126 -3.712 582 HB3 GLU 586 HB3 GLU 586 -18.322 -2.886 -2.292 583 HG2 GLU 586 HG2 GLU 586 -20.253 -3.730 -3.612 584 HG3 GLU 586 HG3 GLU 586 -19.129 -4.106 -4.917 585 H LYS 587 HN LYS 587 -18.922 0.353 -2.229 586 HA LYS 587 HA LYS 587 -16.617 1.820 -3.163 587 HB2 LYS 587 HB2 LYS 587 -18.567 2.424 -0.933 588 HB3 LYS 587 HB3 LYS 587 -17.318 3.517 -1.510 589 HG2 LYS 587 HG2 LYS 587 -18.381 3.634 -3.684 590 HG3 LYS 587 HG3 LYS 587 -19.601 2.471 -3.170 591 HD2 LYS 587 HD2 LYS 587 -19.200 5.009 -1.636 592 HD3 LYS 587 HD3 LYS 587 -20.137 5.017 -3.128 593 HE2 LYS 587 HE2 LYS 587 -21.654 4.758 -1.297 594 HE3 LYS 587 HE3 LYS 587 -21.575 3.230 -2.162 595 HZ1 LYS 587 HZ1 LYS 587 -20.192 2.321 -0.465 596 HZ2 LYS 587 HZ2 LYS 587 -21.544 3.009 0.278 597 HZ3 LYS 587 HZ3 LYS 587 -20.056 3.814 0.316 598 H LEU 588 HN LEU 588 -14.672 1.347 -2.491 599 HA LEU 588 HA LEU 588 -14.254 -0.022 0.039 600 HB2 LEU 588 HB2 LEU 588 -12.182 0.941 -1.918 601 HB3 LEU 588 HB1 LEU 588 -11.969 -0.234 -0.641 602 HG LEU 588 HG LEU 588 -13.512 -0.598 -3.199 603 HD11 LEU 588 HD11 LEU 588 -10.979 -1.772 -2.077 604 HD12 LEU 588 HD12 LEU 588 -11.141 -0.721 -3.484 605 HD13 LEU 588 HD13 LEU 588 -11.792 -2.359 -3.525 606 HD21 LEU 588 HD21 LEU 588 -13.885 -2.900 -2.434 607 HD22 LEU 588 HD22 LEU 588 -14.683 -1.728 -1.384 608 HD23 LEU 588 HD23 LEU 588 -13.178 -2.491 -0.870 609 H LEU 589 HN LEU 589 -13.848 1.077 1.852 610 HA LEU 589 HA LEU 589 -13.045 3.845 1.679 611 HB2 LEU 589 HB2 LEU 589 -14.633 3.027 3.428 612 HB3 LEU 589 HB1 LEU 589 -13.325 2.093 4.126 613 HG LEU 589 HG LEU 589 -12.107 4.145 4.655 614 HD11 LEU 589 HD11 LEU 589 -13.189 6.333 4.351 615 HD12 LEU 589 HD12 LEU 589 -14.482 5.553 3.441 616 HD13 LEU 589 HD13 LEU 589 -12.834 5.545 2.815 617 HD21 LEU 589 HD21 LEU 589 -14.977 4.185 5.577 618 HD22 LEU 589 HD22 LEU 589 -13.638 5.033 6.353 619 HD23 LEU 589 HD23 LEU 589 -13.657 3.270 6.306 620 H ILE 590 HN ILE 590 -11.028 4.195 1.108 621 HA ILE 590 HA ILE 590 -8.910 2.376 1.983 622 HB ILE 590 HB ILE 590 -8.724 4.786 0.160 623 HG12 ILE 590 HG12 ILE 590 -9.042 1.873 -0.567 624 HG13 ILE 590 HG13 ILE 590 -10.212 3.152 -0.830 625 HG21 ILE 590 HG21 ILE 590 -6.812 2.511 0.635 626 HG22 ILE 590 HG22 ILE 590 -6.599 4.188 1.131 627 HG23 ILE 590 HG23 ILE 590 -6.613 3.771 -0.582 628 HD11 ILE 590 HD11 ILE 590 -9.059 2.594 -2.891 629 HD12 ILE 590 HD12 ILE 590 -7.507 2.950 -2.135 630 HD13 ILE 590 HD13 ILE 590 -8.676 4.243 -2.395 631 H ARG 591 HN ARG 591 -7.858 2.835 3.822 632 HA ARG 591 HA ARG 591 -7.533 5.617 4.620 633 HB2 ARG 591 HB2 ARG 591 -8.436 4.998 6.940 634 HB3 ARG 591 HB3 ARG 591 -9.582 5.316 5.648 635 HG2 ARG 591 HG2 ARG 591 -9.830 2.894 5.304 636 HG3 ARG 591 HG3 ARG 591 -8.727 2.610 6.654 637 HD2 ARG 591 HD2 ARG 591 -10.241 3.709 8.175 638 HD3 ARG 591 HD3 ARG 591 -11.308 4.159 6.849 639 HE ARG 591 HE ARG 591 -11.129 1.405 6.776 640 HH11 ARG 591 HH11 ARG 591 -12.189 3.849 9.046 641 HH12 ARG 591 HH12 ARG 591 -13.385 2.832 9.787 642 HH21 ARG 591 HH21 ARG 591 -12.698 0.047 7.759 643 HH22 ARG 591 HH22 ARG 591 -13.664 0.659 9.062 644 H MET 592 HN MET 592 -6.287 5.878 6.634 645 HA MET 592 HA MET 592 -3.768 4.693 6.174 646 HB2 MET 592 HB2 MET 592 -4.674 6.313 8.564 647 HB3 MET 592 HB3 MET 592 -3.014 6.046 8.057 648 HG2 MET 592 HG2 MET 592 -4.713 7.235 5.991 649 HG3 MET 592 HG3 MET 592 -4.530 8.218 7.441 650 HE1 MET 592 HE1 MET 592 -1.842 5.681 6.115 651 HE2 MET 592 HE2 MET 592 -0.870 6.702 5.056 652 HE3 MET 592 HE3 MET 592 -2.524 6.288 4.608 653 H SER 593 HN SER 593 -2.798 2.958 7.044 654 HA SER 593 HA SER 593 -4.312 1.343 8.930 655 HB2 SER 593 HB2 SER 593 -3.290 0.346 6.873 656 HB3 SER 593 HB3 SER 593 -1.699 0.698 7.545 657 HG SER 593 HG SER 593 -2.183 -1.386 8.084 658 H THR 594 HN THR 594 -3.862 1.177 11.032 659 HA THR 594 HA THR 594 -1.490 2.538 12.056 660 HB THR 594 HB THR 594 -3.797 1.379 13.632 661 HG1 THR 594 HG1 THR 594 -3.412 3.951 12.467 662 HG21 THR 594 HG21 THR 594 -3.046 2.929 15.371 663 HG22 THR 594 HG22 THR 594 -1.730 3.470 14.330 664 HG23 THR 594 HG23 THR 594 -1.758 1.811 14.928 665 H ARG 595 HN ARG 595 -2.909 -0.635 11.726 666 HA ARG 595 HA ARG 595 -1.436 -2.049 13.642 667 HB2 ARG 595 HB2 ARG 595 -2.551 -2.955 10.986 668 HB3 ARG 595 HB3 ARG 595 -1.844 -4.047 12.165 669 HG2 ARG 595 HG2 ARG 595 -3.563 -3.418 13.780 670 HG3 ARG 595 HG3 ARG 595 -4.271 -2.321 12.595 671 HD2 ARG 595 HD2 ARG 595 -4.585 -4.275 11.077 672 HD3 ARG 595 HD3 ARG 595 -4.030 -5.319 12.386 673 HE ARG 595 HE ARG 595 -6.080 -3.834 13.451 674 HH11 ARG 595 HH11 ARG 595 -5.718 -6.093 10.799 675 HH12 ARG 595 HH12 ARG 595 -7.378 -6.604 10.844 676 HH21 ARG 595 HH21 ARG 595 -8.252 -4.516 13.524 677 HH22 ARG 595 HH22 ARG 595 -8.815 -5.707 12.396 678 H TYR 596 HN TYR 596 -0.663 -1.210 10.303 679 HA TYR 596 HA TYR 596 2.049 -2.262 10.766 680 HB2 TYR 596 HB2 TYR 596 0.519 -2.068 8.160 681 HB3 TYR 596 HB3 TYR 596 2.201 -2.562 8.299 682 HD1 TYR 596 HD1 TYR 596 2.781 -4.782 8.963 683 HD2 TYR 596 HD2 TYR 596 -1.279 -3.518 9.044 684 HE1 TYR 596 HE1 TYR 596 2.066 -7.116 9.258 685 HE2 TYR 596 HE2 TYR 596 -2.004 -5.846 9.341 686 HH TYR 596 HH TYR 596 0.197 -8.380 10.077 687 H LYS 597 HN LYS 597 3.653 -0.847 10.646 688 HA LYS 597 HA LYS 597 3.158 1.820 9.575 689 HB2 LYS 597 HB2 LYS 597 5.669 0.706 10.844 690 HB3 LYS 597 HB3 LYS 597 5.339 2.396 10.488 691 HG2 LYS 597 HG2 LYS 597 3.972 0.662 12.533 692 HG3 LYS 597 HG3 LYS 597 5.030 2.042 12.829 693 HD2 LYS 597 HD2 LYS 597 3.370 3.506 11.725 694 HD3 LYS 597 HD3 LYS 597 2.307 2.113 11.525 695 HE2 LYS 597 HE2 LYS 597 3.264 3.277 14.138 696 HE3 LYS 597 HE3 LYS 597 1.646 3.426 13.460 697 HZ1 LYS 597 HZ1 LYS 597 1.346 1.053 13.683 698 HZ2 LYS 597 HZ2 LYS 597 1.784 1.713 15.177 699 HZ3 LYS 597 HZ3 LYS 597 2.926 0.868 14.262 700 H GLU 598 HN GLU 598 4.945 -1.089 8.993 701 HA GLU 598 HA GLU 598 5.187 -0.401 6.183 702 HB2 GLU 598 HB2 GLU 598 7.524 -1.066 6.048 703 HB3 GLU 598 HB3 GLU 598 7.358 0.266 7.177 704 HG2 GLU 598 HG2 GLU 598 7.569 -2.617 8.007 705 HG3 GLU 598 HG3 GLU 598 8.946 -1.529 7.865 706 H LEU 599 HN LEU 599 5.331 -2.287 4.852 707 HA LEU 599 HA LEU 599 4.230 -4.646 6.181 708 HB2 LEU 599 HB2 LEU 599 4.502 -3.997 3.247 709 HB3 LEU 599 HB1 LEU 599 3.725 -5.428 3.897 710 HG LEU 599 HG LEU 599 2.768 -2.593 4.333 711 HD11 LEU 599 HD11 LEU 599 1.535 -4.762 2.662 712 HD12 LEU 599 HD12 LEU 599 2.561 -3.494 1.997 713 HD13 LEU 599 HD13 LEU 599 1.037 -3.075 2.782 714 HD21 LEU 599 HD21 LEU 599 2.237 -4.243 6.142 715 HD22 LEU 599 HD22 LEU 599 1.375 -5.189 4.924 716 HD23 LEU 599 HD23 LEU 599 0.833 -3.562 5.322 717 H GLN 600 HN GLN 600 6.698 -3.809 3.822 718 HA GLN 600 HA GLN 600 8.606 -4.855 3.146 719 HB2 GLN 600 HB2 GLN 600 8.698 -5.306 6.121 720 HB3 GLN 600 HB3 GLN 600 10.038 -5.705 5.058 721 HG2 GLN 600 HG2 GLN 600 8.843 -2.955 5.161 722 HG3 GLN 600 HG3 GLN 600 10.125 -3.471 6.258 723 HE21 GLN 600 HE21 GLN 600 11.402 -5.163 4.259 724 HE22 GLN 600 HE22 GLN 600 12.201 -4.099 3.164 725 H LEU 601 HN LEU 601 7.207 -6.437 2.014 726 HA LEU 601 HA LEU 601 6.731 -9.028 2.907 727 HB2 LEU 601 HB2 LEU 601 7.507 -8.122 0.131 728 HB3 LEU 601 HB1 LEU 601 6.804 -9.679 0.523 729 HG LEU 601 HG LEU 601 5.458 -6.999 0.859 730 HD11 LEU 601 HD11 LEU 601 4.968 -9.238 -1.101 731 HD12 LEU 601 HD12 LEU 601 5.661 -7.659 -1.473 732 HD13 LEU 601 HD13 LEU 601 3.987 -7.782 -0.933 733 HD21 LEU 601 HD21 LEU 601 3.465 -8.307 1.412 734 HD22 LEU 601 HD22 LEU 601 4.759 -8.569 2.580 735 HD23 LEU 601 HD23 LEU 601 4.421 -9.788 1.350 736 H LYS 602 HN LYS 602 7.901 -10.958 2.720 737 HA LYS 602 HA LYS 602 10.516 -10.682 3.707 738 HB2 LYS 602 HB2 LYS 602 10.526 -12.994 4.024 739 HB3 LYS 602 HB3 LYS 602 8.833 -12.554 4.160 740 HG2 LYS 602 HG2 LYS 602 10.109 -13.687 1.679 741 HG3 LYS 602 HG3 LYS 602 9.244 -14.638 2.883 742 HD2 LYS 602 HD2 LYS 602 7.209 -13.379 2.434 743 HD3 LYS 602 HD3 LYS 602 8.070 -12.377 1.265 744 HE2 LYS 602 HE2 LYS 602 6.791 -14.086 0.119 745 HE3 LYS 602 HE3 LYS 602 8.515 -14.375 -0.093 746 HZ1 LYS 602 HZ1 LYS 602 6.750 -15.771 1.844 747 HZ2 LYS 602 HZ2 LYS 602 8.404 -16.056 1.644 748 HZ3 LYS 602 HZ3 LYS 602 7.329 -16.416 0.392 749 H LYS 603 HN LYS 603 9.470 -10.707 0.510 750 HA LYS 603 HA LYS 603 11.686 -11.977 -0.735 751 HB2 LYS 603 HB2 LYS 603 9.911 -9.808 -1.875 752 HB3 LYS 603 HB3 LYS 603 10.874 -10.966 -2.781 753 HG2 LYS 603 HG2 LYS 603 9.465 -12.786 -1.903 754 HG3 LYS 603 HG3 LYS 603 8.476 -11.589 -1.068 755 HD2 LYS 603 HD2 LYS 603 7.244 -11.849 -2.975 756 HD3 LYS 603 HD3 LYS 603 8.312 -10.544 -3.485 757 HE2 LYS 603 HE2 LYS 603 8.706 -13.481 -4.058 758 HE3 LYS 603 HE3 LYS 603 8.108 -12.281 -5.198 759 HZ1 LYS 603 HZ1 LYS 603 10.273 -11.109 -4.896 760 HZ2 LYS 603 HZ2 LYS 603 10.388 -12.619 -5.640 761 HZ3 LYS 603 HZ3 LYS 603 10.822 -12.447 -4.016 762 HA PRO 604 HA PRO 604 14.451 -8.698 0.602 763 HB2 PRO 604 HB2 PRO 604 16.456 -10.185 -0.962 764 HB3 PRO 604 HB3 PRO 604 16.440 -9.790 0.759 765 HG2 PRO 604 HG2 PRO 604 16.028 -12.291 -0.114 766 HG3 PRO 604 HG3 PRO 604 15.190 -11.648 1.310 767 HD2 PRO 604 HD2 PRO 604 14.176 -12.010 -1.482 768 HD3 PRO 604 HD3 PRO 604 13.360 -12.310 0.066 769 H GLY 605 HN GLY 605 14.878 -9.975 -2.705 770 HA2 GLY 605 HA2 GLY 605 15.902 -7.422 -3.599 771 HA3 GLY 605 HA1 GLY 605 15.718 -8.874 -4.570 772 H LYS 606 HN LYS 606 14.149 -6.001 -3.365 773 HA LYS 606 HA LYS 606 11.624 -6.410 -4.586 774 HB2 LYS 606 HB2 LYS 606 13.005 -3.771 -4.038 775 HB3 LYS 606 HB3 LYS 606 11.285 -4.011 -4.299 776 HG2 LYS 606 HG2 LYS 606 12.899 -5.017 -1.965 777 HG3 LYS 606 HG3 LYS 606 11.739 -3.686 -1.954 778 HD2 LYS 606 HD2 LYS 606 9.931 -5.213 -2.460 779 HD3 LYS 606 HD3 LYS 606 11.069 -6.555 -2.601 780 HE2 LYS 606 HE2 LYS 606 11.692 -6.215 -0.229 781 HE3 LYS 606 HE3 LYS 606 10.452 -4.966 -0.115 782 HZ1 LYS 606 HZ1 LYS 606 8.762 -6.559 -0.524 783 HZ2 LYS 606 HZ2 LYS 606 9.767 -7.216 0.679 784 HZ3 LYS 606 HZ3 LYS 606 9.889 -7.760 -0.917 785 H ASN 607 HN ASN 607 14.601 -4.875 -5.623 786 HA ASN 607 HA ASN 607 13.995 -5.456 -8.386 787 HB2 ASN 607 HB2 ASN 607 13.003 -3.154 -7.871 788 HB3 ASN 607 HB3 ASN 607 14.661 -2.608 -7.640 789 HD21 ASN 607 HD21 ASN 607 16.058 -2.542 -9.416 790 HD22 ASN 607 HD22 ASN 607 15.458 -2.533 -11.038 791 H VAL 608 HN VAL 608 15.785 -6.674 -8.601 792 HA VAL 608 HA VAL 608 18.106 -6.387 -7.061 793 HB VAL 608 HB VAL 608 17.834 -7.840 -9.687 794 HG11 VAL 608 HG11 VAL 608 19.646 -9.253 -8.849 795 HG12 VAL 608 HG12 VAL 608 19.757 -8.253 -7.400 796 HG13 VAL 608 HG13 VAL 608 20.152 -7.568 -8.976 797 HG21 VAL 608 HG21 VAL 608 17.293 -8.784 -6.875 798 HG22 VAL 608 HG22 VAL 608 17.319 -9.815 -8.305 799 HG23 VAL 608 HG23 VAL 608 16.101 -8.550 -8.153 800 H ALA 609 HN ALA 609 17.348 -5.192 -10.292 801 HA ALA 609 HA ALA 609 20.075 -4.350 -10.765 802 HB1 ALA 609 HB1 ALA 609 18.701 -5.178 -12.607 803 HB2 ALA 609 HB2 ALA 609 19.250 -3.528 -12.897 804 HB3 ALA 609 HB3 ALA 609 17.590 -3.827 -12.384 805 H ALA 610 HN ALA 610 18.647 -3.214 -8.482 806 HA ALA 610 HA ALA 610 18.581 -1.273 -7.337 807 HB1 ALA 610 HB1 ALA 610 19.861 0.625 -8.090 808 HB2 ALA 610 HB2 ALA 610 19.955 -0.048 -9.718 809 HB3 ALA 610 HB3 ALA 610 20.763 -0.863 -8.380 810 H ILE 611 HN ILE 611 16.875 -0.078 -6.917 811 HA ILE 611 HA ILE 611 14.896 0.437 -8.946 812 HB ILE 611 HB ILE 611 14.967 1.501 -6.109 813 HG12 ILE 611 HG12 ILE 611 13.590 -0.972 -7.178 814 HG13 ILE 611 HG13 ILE 611 15.074 -0.989 -6.228 815 HG21 ILE 611 HG21 ILE 611 13.412 2.690 -7.571 816 HG22 ILE 611 HG22 ILE 611 12.535 1.710 -6.396 817 HG23 ILE 611 HG23 ILE 611 12.687 1.159 -8.064 818 HD11 ILE 611 HD11 ILE 611 13.884 -0.006 -4.346 819 HD12 ILE 611 HD12 ILE 611 13.124 -1.510 -4.868 820 HD13 ILE 611 HD13 ILE 611 12.403 0.040 -5.300 821 H ILE 612 HN ILE 612 16.501 1.697 -10.277 822 HA ILE 612 HA ILE 612 16.810 4.462 -9.389 823 HB ILE 612 HB ILE 612 17.860 3.126 -11.893 824 HG12 ILE 612 HG12 ILE 612 19.256 3.757 -9.281 825 HG13 ILE 612 HG13 ILE 612 18.794 2.150 -9.830 826 HG21 ILE 612 HG21 ILE 612 18.562 5.781 -10.630 827 HG22 ILE 612 HG22 ILE 612 17.652 5.553 -12.124 828 HG23 ILE 612 HG23 ILE 612 19.348 5.075 -12.043 829 HD11 ILE 612 HD11 ILE 612 21.170 2.598 -10.154 830 HD12 ILE 612 HD12 ILE 612 20.768 3.959 -11.201 831 HD13 ILE 612 HD13 ILE 612 20.342 2.318 -11.684 832 H GLN 613 HN GLN 613 14.415 4.601 -9.488 833 HA GLN 613 HA GLN 613 13.502 5.212 -12.222 834 HB2 GLN 613 HB2 GLN 613 11.905 4.023 -9.949 835 HB3 GLN 613 HB3 GLN 613 11.225 4.541 -11.485 836 HG2 GLN 613 HG2 GLN 613 12.509 2.878 -12.665 837 HG3 GLN 613 HG3 GLN 613 13.322 2.407 -11.173 838 HE21 GLN 613 HE21 GLN 613 12.629 0.289 -11.340 839 HE22 GLN 613 HE22 GLN 613 10.988 -0.176 -11.042 840 H ASP 614 HN ASP 614 13.111 5.980 -8.783 841 HA ASP 614 HA ASP 614 11.913 8.558 -9.532 842 HB2 ASP 614 HB2 ASP 614 11.918 7.058 -6.910 843 HB3 ASP 614 HB3 ASP 614 11.287 8.688 -7.100 844 H ILE 615 HN ILE 615 14.088 7.282 -7.020 845 HA ILE 615 HA ILE 615 15.803 8.203 -5.871 846 HB ILE 615 HB ILE 615 16.427 9.772 -8.384 847 HG12 ILE 615 HG12 ILE 615 18.100 7.696 -8.570 848 HG13 ILE 615 HG13 ILE 615 16.788 6.885 -7.724 849 HG21 ILE 615 HG21 ILE 615 18.192 8.790 -6.142 850 HG22 ILE 615 HG22 ILE 615 17.684 10.457 -6.406 851 HG23 ILE 615 HG23 ILE 615 18.736 9.660 -7.576 852 HD11 ILE 615 HD11 ILE 615 16.580 8.318 -10.358 853 HD12 ILE 615 HD12 ILE 615 15.252 7.530 -9.511 854 HD13 ILE 615 HD13 ILE 615 16.604 6.572 -10.113 855 H HIS 616 HN HIS 616 13.583 9.299 -5.096 856 HA HIS 616 HA HIS 616 14.202 12.167 -4.816 857 HB2 HIS 616 HB2 HIS 616 11.612 10.649 -4.512 858 HB3 HIS 616 HB3 HIS 616 11.830 12.242 -3.800 859 HD1 HIS 616 HD1 HIS 616 11.232 14.150 -5.246 860 HD2 HIS 616 HD2 HIS 616 12.008 10.716 -7.454 861 HE1 HIS 616 HE1 HIS 616 10.697 14.744 -7.630 862 HE2 HIS 616 HE2 HIS 616 11.055 12.613 -8.927 863 H SER 617 HN SER 617 14.932 9.421 -3.474 864 HA SER 617 HA SER 617 15.765 10.315 -1.000 865 HB2 SER 617 HB2 SER 617 14.076 8.926 0.405 866 HB3 SER 617 HB3 SER 617 13.587 10.528 -0.146 867 HG SER 617 HG SER 617 12.236 9.655 -1.565 868 H GLN 618 HN GLN 618 16.638 8.714 -3.147 869 HA GLN 618 HA GLN 618 16.961 6.095 -1.859 870 HB2 GLN 618 HB2 GLN 618 16.593 6.576 -4.820 871 HB3 GLN 618 HB3 GLN 618 16.868 5.018 -4.054 872 HG2 GLN 618 HG2 GLN 618 14.743 5.205 -2.884 873 HG3 GLN 618 HG3 GLN 618 14.469 6.782 -3.622 874 HE21 GLN 618 HE21 GLN 618 14.582 3.356 -4.137 875 HE22 GLN 618 HE22 GLN 618 13.817 3.359 -5.685 876 H ARG 619 HN ARG 619 18.956 5.085 -2.175 877 HA ARG 619 HA ARG 619 21.016 6.718 -3.500 878 HB2 ARG 619 HB2 ARG 619 21.313 5.186 -0.909 879 HB3 ARG 619 HB3 ARG 619 22.616 6.015 -1.748 880 HG2 ARG 619 HG2 ARG 619 20.166 7.313 -0.570 881 HG3 ARG 619 HG3 ARG 619 21.786 7.325 0.128 882 HD2 ARG 619 HD2 ARG 619 22.636 8.620 -1.692 883 HD3 ARG 619 HD3 ARG 619 21.138 8.430 -2.599 884 HE ARG 619 HE ARG 619 21.028 9.805 -0.023 885 HH11 ARG 619 HH11 ARG 619 21.017 9.989 -3.518 886 HH12 ARG 619 HH12 ARG 619 20.272 11.556 -3.565 887 HH21 ARG 619 HH21 ARG 619 20.033 11.874 -0.074 888 HH22 ARG 619 HH22 ARG 619 19.703 12.627 -1.602 889 H GLU 620 HN GLU 620 20.048 5.072 -5.127 890 HA GLU 620 HA GLU 620 20.279 3.239 -6.449 891 HB2 GLU 620 HB2 GLU 620 22.525 4.324 -6.635 892 HB3 GLU 620 HB3 GLU 620 23.109 3.226 -5.392 893 HG2 GLU 620 HG2 GLU 620 22.439 1.332 -6.879 894 HG3 GLU 620 HG3 GLU 620 22.110 2.524 -8.137 895 H ARG 621 HN ARG 621 18.849 1.995 -5.110 896 HA ARG 621 HA ARG 621 20.225 -0.088 -3.564 897 HB2 ARG 621 HB2 ARG 621 17.391 0.915 -3.239 898 HB3 ARG 621 HB3 ARG 621 18.130 -0.379 -2.307 899 HG2 ARG 621 HG2 ARG 621 18.908 2.530 -2.298 900 HG3 ARG 621 HG3 ARG 621 18.120 1.632 -0.999 901 HD2 ARG 621 HD2 ARG 621 20.911 1.199 -2.061 902 HD3 ARG 621 HD3 ARG 621 20.475 1.903 -0.506 903 HE ARG 621 HE ARG 621 19.307 -0.600 -0.572 904 HH11 ARG 621 HH11 ARG 621 22.548 0.713 -0.694 905 HH12 ARG 621 HH12 ARG 621 23.279 -0.690 0.008 906 HH21 ARG 621 HH21 ARG 621 20.262 -2.450 0.350 907 HH22 ARG 621 HH22 ARG 621 21.978 -2.495 0.604 Start of MODEL 5 1 H1 GLY 510 HT1 GLY 510 9.252 -2.152 -7.988 2 H2 GLY 510 HT2 GLY 510 8.185 -3.385 -8.427 3 H3 GLY 510 HT3 GLY 510 9.594 -3.131 -9.324 4 HA2 GLY 510 HA1 GLY 510 9.865 -5.051 -7.919 5 HA3 GLY 510 HA2 GLY 510 10.946 -3.755 -7.426 6 H ALA 511 HN ALA 511 10.604 -5.526 -5.543 7 HA ALA 511 HA ALA 511 8.441 -4.562 -3.806 8 HB1 ALA 511 HB1 ALA 511 8.528 -6.980 -4.126 9 HB2 ALA 511 HB2 ALA 511 8.875 -6.556 -2.451 10 HB3 ALA 511 HB3 ALA 511 10.190 -7.008 -3.536 11 H MET 512 HN MET 512 10.630 -2.871 -4.266 12 HA MET 512 HA MET 512 12.488 -3.140 -2.074 13 HB2 MET 512 HB2 MET 512 12.069 -0.867 -4.026 14 HB3 MET 512 HB3 MET 512 13.366 -0.955 -2.846 15 HG2 MET 512 HG2 MET 512 14.199 -2.990 -3.944 16 HG3 MET 512 HG3 MET 512 12.928 -2.834 -5.156 17 HE1 MET 512 HE1 MET 512 14.746 -2.907 -7.097 18 HE2 MET 512 HE2 MET 512 16.020 -3.076 -5.890 19 HE3 MET 512 HE3 MET 512 16.157 -1.851 -7.151 20 H ALA 513 HN ALA 513 11.258 -3.067 -0.225 21 HA ALA 513 HA ALA 513 9.455 -0.919 0.347 22 HB1 ALA 513 HB1 ALA 513 10.739 -2.917 2.207 23 HB2 ALA 513 HB2 ALA 513 9.191 -3.115 1.384 24 HB3 ALA 513 HB3 ALA 513 9.389 -1.853 2.601 25 H GLN 514 HN GLN 514 11.103 0.701 -0.352 26 HA GLN 514 HA GLN 514 13.397 1.224 1.231 27 HB2 GLN 514 HB2 GLN 514 11.839 3.174 -0.463 28 HB3 GLN 514 HB3 GLN 514 13.481 3.382 0.116 29 HG2 GLN 514 HG2 GLN 514 14.129 1.373 -1.223 30 HG3 GLN 514 HG3 GLN 514 12.504 1.376 -1.906 31 HE21 GLN 514 HE21 GLN 514 13.181 1.775 -3.990 32 HE22 GLN 514 HE22 GLN 514 13.843 3.295 -4.483 33 H ARG 515 HN ARG 515 10.076 2.313 1.293 34 HA ARG 515 HA ARG 515 8.852 3.537 2.759 35 HB2 ARG 515 HB2 ARG 515 11.301 3.252 4.476 36 HB3 ARG 515 HB3 ARG 515 9.796 3.980 5.032 37 HG2 ARG 515 HG2 ARG 515 8.635 1.853 4.577 38 HG3 ARG 515 HG3 ARG 515 10.178 1.139 4.108 39 HD2 ARG 515 HD2 ARG 515 9.591 2.328 6.814 40 HD3 ARG 515 HD3 ARG 515 9.501 0.610 6.435 41 HE ARG 515 HE ARG 515 12.035 1.610 5.713 42 HH11 ARG 515 HH11 ARG 515 10.130 0.853 8.559 43 HH12 ARG 515 HH12 ARG 515 11.514 0.465 9.532 44 HH21 ARG 515 HH21 ARG 515 13.851 1.101 6.997 45 HH22 ARG 515 HH22 ARG 515 13.629 0.622 8.650 46 H LYS 516 HN LYS 516 12.116 4.505 2.135 47 HA LYS 516 HA LYS 516 12.909 6.361 1.082 48 HB2 LYS 516 HB2 LYS 516 10.009 7.222 0.964 49 HB3 LYS 516 HB3 LYS 516 11.334 7.984 0.097 50 HG2 LYS 516 HG2 LYS 516 10.643 5.087 -0.274 51 HG3 LYS 516 HG3 LYS 516 9.860 6.367 -1.197 52 HD2 LYS 516 HD2 LYS 516 12.848 5.995 -1.086 53 HD3 LYS 516 HD3 LYS 516 11.822 5.258 -2.319 54 HE2 LYS 516 HE2 LYS 516 11.005 7.527 -2.908 55 HE3 LYS 516 HE3 LYS 516 12.173 8.199 -1.774 56 HZ1 LYS 516 HZ1 LYS 516 13.955 7.263 -3.067 57 HZ2 LYS 516 HZ2 LYS 516 12.973 8.211 -4.065 58 HZ3 LYS 516 HZ3 LYS 516 12.858 6.527 -4.127 59 H GLY 517 HN GLY 517 12.573 6.118 3.944 60 HA2 GLY 517 HA2 GLY 517 13.605 7.784 5.404 61 HA3 GLY 517 HA1 GLY 517 12.574 8.976 4.628 62 H ALA 518 HN ALA 518 10.462 6.743 4.657 63 HA ALA 518 HA ALA 518 9.695 6.834 7.471 64 HB1 ALA 518 HB1 ALA 518 7.623 8.062 7.090 65 HB2 ALA 518 HB2 ALA 518 8.071 8.307 5.403 66 HB3 ALA 518 HB3 ALA 518 9.031 9.042 6.685 67 H GLY 519 HN GLY 519 7.706 6.639 4.541 68 HA2 GLY 519 HA2 GLY 519 6.555 4.864 3.621 69 HA3 GLY 519 HA1 GLY 519 7.431 3.788 4.700 70 H ARG 520 HN ARG 520 4.487 4.294 3.901 71 HA ARG 520 HA ARG 520 3.493 3.842 6.618 72 HB2 ARG 520 HB2 ARG 520 2.336 5.792 4.637 73 HB3 ARG 520 HB3 ARG 520 1.375 5.099 5.930 74 HG2 ARG 520 HG2 ARG 520 3.098 6.034 7.527 75 HG3 ARG 520 HG3 ARG 520 3.733 6.939 6.148 76 HD2 ARG 520 HD2 ARG 520 1.534 7.946 5.797 77 HD3 ARG 520 HD3 ARG 520 0.896 7.038 7.164 78 HE ARG 520 HE ARG 520 3.063 9.010 7.491 79 HH11 ARG 520 HH11 ARG 520 -0.078 7.725 8.385 80 HH12 ARG 520 HH12 ARG 520 -0.308 8.849 9.683 81 HH21 ARG 520 HH21 ARG 520 2.747 10.500 9.204 82 HH22 ARG 520 HH22 ARG 520 1.295 10.422 10.150 83 H VAL 521 HN VAL 521 1.446 2.729 6.663 84 HA VAL 521 HA VAL 521 0.957 1.167 4.218 85 HB VAL 521 HB VAL 521 0.430 0.386 7.093 86 HG11 VAL 521 HG11 VAL 521 -0.233 -1.796 6.192 87 HG12 VAL 521 HG12 VAL 521 -0.063 -1.167 4.552 88 HG13 VAL 521 HG13 VAL 521 -1.298 -0.508 5.626 89 HG21 VAL 521 HG21 VAL 521 2.442 -0.555 5.071 90 HG22 VAL 521 HG22 VAL 521 2.085 -1.408 6.571 91 HG23 VAL 521 HG23 VAL 521 2.751 0.225 6.622 92 H VAL 522 HN VAL 522 -0.988 1.254 3.324 93 HA VAL 522 HA VAL 522 -3.116 2.646 4.780 94 HB VAL 522 HB VAL 522 -2.839 2.009 1.838 95 HG11 VAL 522 HG11 VAL 522 -4.879 3.287 1.522 96 HG12 VAL 522 HG12 VAL 522 -5.066 3.427 3.269 97 HG13 VAL 522 HG13 VAL 522 -5.163 1.845 2.494 98 HG21 VAL 522 HG21 VAL 522 -1.433 3.846 2.615 99 HG22 VAL 522 HG22 VAL 522 -2.843 4.617 3.344 100 HG23 VAL 522 HG23 VAL 522 -2.742 4.441 1.592 101 H HIS 523 HN HIS 523 -4.913 1.645 5.388 102 HA HIS 523 HA HIS 523 -5.116 -1.236 4.855 103 HB2 HIS 523 HB2 HIS 523 -5.030 -1.091 7.163 104 HB3 HIS 523 HB3 HIS 523 -5.807 0.485 7.203 105 HD1 HIS 523 HD1 HIS 523 -7.913 0.302 8.440 106 HD2 HIS 523 HD2 HIS 523 -7.235 -3.084 6.125 107 HE1 HIS 523 HE1 HIS 523 -9.939 -1.147 8.760 108 HE2 HIS 523 HE2 HIS 523 -9.516 -3.190 7.360 109 H ILE 524 HN ILE 524 -6.547 -1.786 3.421 110 HA ILE 524 HA ILE 524 -8.835 -0.022 2.922 111 HB ILE 524 HB ILE 524 -7.665 -2.222 1.214 112 HG12 ILE 524 HG12 ILE 524 -7.655 0.785 0.868 113 HG13 ILE 524 HG13 ILE 524 -6.274 -0.186 1.363 114 HG21 ILE 524 HG21 ILE 524 -9.992 -0.373 0.730 115 HG22 ILE 524 HG22 ILE 524 -10.013 -2.138 0.809 116 HG23 ILE 524 HG23 ILE 524 -9.207 -1.323 -0.532 117 HD11 ILE 524 HD11 ILE 524 -6.168 0.455 -0.988 118 HD12 ILE 524 HD12 ILE 524 -7.689 -0.389 -1.284 119 HD13 ILE 524 HD13 ILE 524 -6.259 -1.294 -0.788 120 H CYS 525 HN CYS 525 -10.824 -0.648 3.412 121 HA CYS 525 HA CYS 525 -11.259 -3.454 4.176 122 HB2 CYS 525 HB2 CYS 525 -12.869 -2.458 5.918 123 HB3 CYS 525 HB3 CYS 525 -11.144 -2.365 6.249 124 HG CYS 525 HG CYS 525 -13.153 0.008 6.567 125 H ASN 526 HN ASN 526 -13.773 -3.757 4.491 126 HA ASN 526 HA ASN 526 -15.771 -4.025 3.450 127 HB2 ASN 526 HB2 ASN 526 -15.144 -1.332 2.213 128 HB3 ASN 526 HB3 ASN 526 -16.687 -2.166 2.065 129 HD21 ASN 526 HD21 ASN 526 -16.137 0.426 3.200 130 HD22 ASN 526 HD22 ASN 526 -16.666 0.371 4.843 131 H LEU 527 HN LEU 527 -13.360 -5.078 2.376 132 HA LEU 527 HA LEU 527 -13.518 -4.824 -0.499 133 HB2 LEU 527 HB2 LEU 527 -11.765 -6.438 1.354 134 HB3 LEU 527 HB1 LEU 527 -11.662 -6.557 -0.393 135 HG LEU 527 HG LEU 527 -11.281 -3.969 1.106 136 HD11 LEU 527 HD11 LEU 527 -9.161 -5.833 0.048 137 HD12 LEU 527 HD12 LEU 527 -9.553 -5.599 1.752 138 HD13 LEU 527 HD13 LEU 527 -8.903 -4.257 0.805 139 HD21 LEU 527 HD21 LEU 527 -10.690 -4.834 -1.717 140 HD22 LEU 527 HD22 LEU 527 -10.214 -3.290 -1.009 141 HD23 LEU 527 HD23 LEU 527 -11.921 -3.683 -1.196 142 HA PRO 528 HA PRO 528 -16.543 -8.082 -0.730 143 HB2 PRO 528 HB2 PRO 528 -16.387 -8.398 -3.461 144 HB3 PRO 528 HB3 PRO 528 -17.375 -7.184 -2.649 145 HG2 PRO 528 HG2 PRO 528 -14.701 -6.898 -3.940 146 HG3 PRO 528 HG3 PRO 528 -16.071 -5.773 -3.928 147 HD2 PRO 528 HD2 PRO 528 -13.894 -5.444 -2.361 148 HD3 PRO 528 HD3 PRO 528 -15.518 -4.932 -1.859 149 H GLU 529 HN GLU 529 -16.290 -10.172 -0.419 150 HA GLU 529 HA GLU 529 -13.796 -11.457 -0.676 151 HB2 GLU 529 HB2 GLU 529 -15.261 -11.981 1.136 152 HB3 GLU 529 HB3 GLU 529 -16.576 -12.371 0.041 153 HG2 GLU 529 HG2 GLU 529 -15.642 -14.358 0.982 154 HG3 GLU 529 HG3 GLU 529 -15.345 -14.295 -0.750 155 H GLY 530 HN GLY 530 -12.979 -12.544 -2.351 156 HA2 GLY 530 HA2 GLY 530 -12.886 -13.901 -4.217 157 HA3 GLY 530 HA1 GLY 530 -14.623 -14.117 -4.096 158 H SER 531 HN SER 531 -13.587 -10.872 -4.147 159 HA SER 531 HA SER 531 -14.311 -10.714 -6.995 160 HB2 SER 531 HB2 SER 531 -14.902 -8.623 -4.904 161 HB3 SER 531 HB3 SER 531 -15.501 -8.680 -6.561 162 HG SER 531 HG SER 531 -16.561 -10.679 -5.952 163 H CYS 532 HN CYS 532 -12.261 -9.526 -4.424 164 HA CYS 532 HA CYS 532 -11.051 -7.496 -6.097 165 HB2 CYS 532 HB2 CYS 532 -10.250 -8.408 -3.330 166 HB3 CYS 532 HB3 CYS 532 -9.759 -6.921 -4.133 167 HG CYS 532 HG CYS 532 -12.760 -7.699 -2.746 168 H THR 533 HN THR 533 -9.130 -7.632 -7.121 169 HA THR 533 HA THR 533 -7.624 -10.138 -6.846 170 HB THR 533 HB THR 533 -6.566 -9.604 -8.975 171 HG1 THR 533 HG1 THR 533 -8.286 -7.390 -9.349 172 HG21 THR 533 HG21 THR 533 -8.519 -9.736 -10.459 173 HG22 THR 533 HG22 THR 533 -9.564 -9.287 -9.111 174 HG23 THR 533 HG23 THR 533 -8.680 -10.813 -9.072 175 H GLU 534 HN GLU 534 -5.169 -9.792 -7.143 176 HA GLU 534 HA GLU 534 -4.210 -8.072 -5.138 177 HB2 GLU 534 HB2 GLU 534 -2.651 -9.239 -7.452 178 HB3 GLU 534 HB3 GLU 534 -1.985 -8.637 -5.940 179 HG2 GLU 534 HG2 GLU 534 -3.086 -10.412 -4.716 180 HG3 GLU 534 HG3 GLU 534 -3.833 -10.996 -6.201 181 H ASN 535 HN ASN 535 -4.545 -7.743 -8.607 182 HA ASN 535 HA ASN 535 -2.969 -5.409 -8.892 183 HB2 ASN 535 HB2 ASN 535 -5.044 -6.716 -10.636 184 HB3 ASN 535 HB3 ASN 535 -4.278 -5.199 -11.093 185 HD21 ASN 535 HD21 ASN 535 -3.357 -6.129 -12.898 186 HD22 ASN 535 HD22 ASN 535 -2.004 -7.203 -12.795 187 H ASP 536 HN ASP 536 -6.474 -5.903 -8.491 188 HA ASP 536 HA ASP 536 -7.218 -3.274 -9.137 189 HB2 ASP 536 HB2 ASP 536 -8.628 -5.265 -7.351 190 HB3 ASP 536 HB3 ASP 536 -9.318 -3.732 -7.867 191 H VAL 537 HN VAL 537 -6.527 -4.746 -6.004 192 HA VAL 537 HA VAL 537 -7.191 -2.503 -4.438 193 HB VAL 537 HB VAL 537 -5.254 -4.739 -3.812 194 HG11 VAL 537 HG11 VAL 537 -5.633 -4.197 -1.485 195 HG12 VAL 537 HG12 VAL 537 -6.691 -2.866 -1.948 196 HG13 VAL 537 HG13 VAL 537 -4.972 -2.805 -2.342 197 HG21 VAL 537 HG21 VAL 537 -8.196 -4.461 -3.219 198 HG22 VAL 537 HG22 VAL 537 -7.153 -5.761 -2.640 199 HG23 VAL 537 HG23 VAL 537 -7.464 -5.582 -4.367 200 H ILE 538 HN ILE 538 -4.102 -3.604 -5.796 201 HA ILE 538 HA ILE 538 -2.530 -1.520 -4.700 202 HB ILE 538 HB ILE 538 -2.047 -3.190 -7.175 203 HG12 ILE 538 HG12 ILE 538 -0.988 -3.503 -4.357 204 HG13 ILE 538 HG13 ILE 538 -2.265 -4.482 -5.071 205 HG21 ILE 538 HG21 ILE 538 0.303 -2.549 -6.939 206 HG22 ILE 538 HG22 ILE 538 -0.119 -1.494 -5.592 207 HG23 ILE 538 HG23 ILE 538 -0.722 -1.140 -7.210 208 HD11 ILE 538 HD11 ILE 538 -0.700 -5.340 -6.720 209 HD12 ILE 538 HD12 ILE 538 -0.124 -5.637 -5.080 210 HD13 ILE 538 HD13 ILE 538 0.580 -4.337 -6.039 211 H ASN 539 HN ASN 539 -4.169 -1.939 -7.810 212 HA ASN 539 HA ASN 539 -3.235 0.399 -9.048 213 HB2 ASN 539 HB2 ASN 539 -5.711 -1.252 -9.512 214 HB3 ASN 539 HB3 ASN 539 -5.335 0.168 -10.482 215 HD21 ASN 539 HD21 ASN 539 -5.578 -2.547 -11.367 216 HD22 ASN 539 HD22 ASN 539 -4.051 -2.989 -12.047 217 H LEU 540 HN LEU 540 -5.828 -0.094 -6.762 218 HA LEU 540 HA LEU 540 -7.033 2.461 -7.198 219 HB2 LEU 540 HB2 LEU 540 -7.236 0.537 -4.893 220 HB3 LEU 540 HB1 LEU 540 -8.150 2.030 -5.003 221 HG LEU 540 HG LEU 540 -8.368 -0.369 -6.814 222 HD11 LEU 540 HD11 LEU 540 -10.214 0.931 -4.827 223 HD12 LEU 540 HD12 LEU 540 -9.497 -0.683 -4.742 224 HD13 LEU 540 HD13 LEU 540 -10.708 -0.317 -5.973 225 HD21 LEU 540 HD21 LEU 540 -9.676 2.339 -7.037 226 HD22 LEU 540 HD22 LEU 540 -10.186 0.906 -7.924 227 HD23 LEU 540 HD23 LEU 540 -8.584 1.587 -8.198 228 H GLY 541 HN GLY 541 -4.524 1.249 -5.057 229 HA2 GLY 541 HA2 GLY 541 -4.446 3.632 -3.458 230 HA3 GLY 541 HA1 GLY 541 -3.247 2.347 -3.470 231 H LEU 542 HN LEU 542 -2.603 2.381 -6.170 232 HA LEU 542 HA LEU 542 -0.399 3.979 -6.150 233 HB2 LEU 542 HB2 LEU 542 -1.935 2.875 -8.472 234 HB3 LEU 542 HB1 LEU 542 -0.414 3.714 -8.679 235 HG LEU 542 HG LEU 542 -0.736 1.248 -6.974 236 HD11 LEU 542 HD11 LEU 542 0.253 1.500 -9.809 237 HD12 LEU 542 HD12 LEU 542 -1.240 0.717 -9.296 238 HD13 LEU 542 HD13 LEU 542 0.317 0.043 -8.821 239 HD21 LEU 542 HD21 LEU 542 1.696 2.655 -8.067 240 HD22 LEU 542 HD22 LEU 542 1.697 1.161 -7.131 241 HD23 LEU 542 HD23 LEU 542 1.160 2.666 -6.387 242 HA PRO 543 HA PRO 543 -2.694 7.137 -9.248 243 HB2 PRO 543 HB2 PRO 543 -5.089 7.380 -7.447 244 HB3 PRO 543 HB3 PRO 543 -4.964 7.656 -9.198 245 HG2 PRO 543 HG2 PRO 543 -5.991 5.407 -8.332 246 HG3 PRO 543 HG3 PRO 543 -4.803 5.360 -9.651 247 HD2 PRO 543 HD2 PRO 543 -4.447 4.705 -6.755 248 HD3 PRO 543 HD3 PRO 543 -3.769 3.899 -8.183 249 H PHE 544 HN PHE 544 -3.126 7.353 -5.682 250 HA PHE 544 HA PHE 544 -2.154 10.119 -5.938 251 HB2 PHE 544 HB2 PHE 544 -3.921 8.877 -3.851 252 HB3 PHE 544 HB1 PHE 544 -3.155 10.450 -3.633 253 HD1 PHE 544 HD1 PHE 544 -5.527 8.541 -5.716 254 HD2 PHE 544 HD2 PHE 544 -3.998 12.378 -4.698 255 HE1 PHE 544 HE1 PHE 544 -7.339 9.597 -6.997 256 HE2 PHE 544 HE2 PHE 544 -5.812 13.441 -5.973 257 HZ PHE 544 HZ PHE 544 -7.483 12.050 -7.127 258 H GLY 545 HN GLY 545 -1.405 7.058 -4.594 259 HA2 GLY 545 HA2 GLY 545 1.150 8.205 -3.731 260 HA3 GLY 545 HA1 GLY 545 0.261 7.181 -2.611 261 H LYS 546 HN LYS 546 2.918 6.974 -4.097 262 HA LYS 546 HA LYS 546 2.602 4.734 -5.871 263 HB2 LYS 546 HB2 LYS 546 4.366 6.449 -6.184 264 HB3 LYS 546 HB3 LYS 546 5.118 5.925 -4.685 265 HG2 LYS 546 HG2 LYS 546 6.297 4.982 -6.559 266 HG3 LYS 546 HG3 LYS 546 5.477 3.695 -5.669 267 HD2 LYS 546 HD2 LYS 546 3.720 3.613 -7.315 268 HD3 LYS 546 HD3 LYS 546 4.388 5.012 -8.158 269 HE2 LYS 546 HE2 LYS 546 6.364 3.764 -8.749 270 HE3 LYS 546 HE3 LYS 546 5.823 2.387 -7.793 271 HZ1 LYS 546 HZ1 LYS 546 5.425 2.110 -10.182 272 HZ2 LYS 546 HZ2 LYS 546 4.399 3.455 -10.170 273 HZ3 LYS 546 HZ3 LYS 546 3.991 2.071 -9.289 274 H VAL 547 HN VAL 547 3.198 2.621 -5.505 275 HA VAL 547 HA VAL 547 3.221 1.828 -2.682 276 HB VAL 547 HB VAL 547 2.373 0.316 -5.157 277 HG11 VAL 547 HG11 VAL 547 3.380 -1.173 -3.489 278 HG12 VAL 547 HG12 VAL 547 1.647 -1.455 -3.668 279 HG13 VAL 547 HG13 VAL 547 2.257 -0.559 -2.276 280 HG21 VAL 547 HG21 VAL 547 0.761 1.371 -2.838 281 HG22 VAL 547 HG22 VAL 547 0.135 0.475 -4.222 282 HG23 VAL 547 HG23 VAL 547 0.824 2.081 -4.450 283 H THR 548 HN THR 548 4.832 0.627 -1.853 284 HA THR 548 HA THR 548 7.098 -0.037 -3.584 285 HB THR 548 HB THR 548 8.258 -0.489 -1.399 286 HG1 THR 548 HG1 THR 548 7.156 0.128 0.504 287 HG21 THR 548 HG21 THR 548 8.444 1.866 -0.736 288 HG22 THR 548 HG22 THR 548 7.000 2.248 -1.673 289 HG23 THR 548 HG23 THR 548 8.463 1.697 -2.492 290 H ASN 549 HN ASN 549 4.829 -1.528 -1.321 291 HA ASN 549 HA ASN 549 4.963 -4.050 -2.651 292 HB2 ASN 549 HB2 ASN 549 5.820 -5.411 -0.862 293 HB3 ASN 549 HB3 ASN 549 7.015 -4.175 -1.235 294 HD21 ASN 549 HD21 ASN 549 7.207 -2.396 0.214 295 HD22 ASN 549 HD22 ASN 549 6.747 -2.556 1.873 296 H TYR 550 HN TYR 550 3.574 -5.708 -1.334 297 HA TYR 550 HA TYR 550 1.413 -4.286 0.041 298 HB2 TYR 550 HB2 TYR 550 -0.280 -5.156 -1.432 299 HB3 TYR 550 HB3 TYR 550 0.928 -4.345 -2.423 300 HD1 TYR 550 HD1 TYR 550 -0.944 -7.317 -1.990 301 HD2 TYR 550 HD2 TYR 550 2.777 -5.876 -3.432 302 HE1 TYR 550 HE1 TYR 550 -0.694 -9.351 -3.349 303 HE2 TYR 550 HE2 TYR 550 3.042 -7.897 -4.801 304 HH TYR 550 HH TYR 550 2.277 -10.061 -5.070 305 H ILE 551 HN ILE 551 0.123 -5.568 1.360 306 HA ILE 551 HA ILE 551 0.668 -8.459 1.403 307 HB ILE 551 HB ILE 551 0.390 -6.686 3.854 308 HG12 ILE 551 HG12 ILE 551 2.666 -8.420 2.859 309 HG13 ILE 551 HG13 ILE 551 2.647 -6.664 2.924 310 HG21 ILE 551 HG21 ILE 551 0.566 -9.696 3.671 311 HG22 ILE 551 HG22 ILE 551 -0.851 -8.762 4.150 312 HG23 ILE 551 HG23 ILE 551 0.594 -8.752 5.161 313 HD11 ILE 551 HD11 ILE 551 3.963 -7.571 4.732 314 HD12 ILE 551 HD12 ILE 551 2.592 -8.536 5.279 315 HD13 ILE 551 HD13 ILE 551 2.526 -6.777 5.372 316 H LEU 552 HN LEU 552 -1.153 -9.558 1.105 317 HA LEU 552 HA LEU 552 -3.696 -8.148 1.558 318 HB2 LEU 552 HB2 LEU 552 -2.974 -10.330 -0.392 319 HB3 LEU 552 HB1 LEU 552 -4.617 -9.783 -0.113 320 HG LEU 552 HG LEU 552 -2.407 -7.972 -1.064 321 HD11 LEU 552 HD11 LEU 552 -4.553 -9.337 -2.681 322 HD12 LEU 552 HD12 LEU 552 -2.841 -9.756 -2.697 323 HD13 LEU 552 HD13 LEU 552 -3.367 -8.178 -3.281 324 HD21 LEU 552 HD21 LEU 552 -4.209 -6.808 0.025 325 HD22 LEU 552 HD22 LEU 552 -5.398 -7.674 -0.949 326 HD23 LEU 552 HD23 LEU 552 -4.292 -6.532 -1.714 327 H MET 553 HN MET 553 -4.627 -8.769 3.386 328 HA MET 553 HA MET 553 -4.733 -11.658 3.941 329 HB2 MET 553 HB2 MET 553 -5.336 -9.350 5.808 330 HB3 MET 553 HB3 MET 553 -5.337 -11.056 6.237 331 HG2 MET 553 HG2 MET 553 -2.947 -11.183 5.771 332 HG3 MET 553 HG3 MET 553 -2.941 -9.480 5.322 333 HE1 MET 553 HE1 MET 553 -0.882 -10.557 7.432 334 HE2 MET 553 HE2 MET 553 -1.002 -9.301 8.664 335 HE3 MET 553 HE3 MET 553 -1.035 -8.866 6.955 336 H LYS 554 HN LYS 554 -6.353 -12.039 2.395 337 HA LYS 554 HA LYS 554 -8.710 -10.468 2.179 338 HB2 LYS 554 HB2 LYS 554 -8.079 -13.259 1.215 339 HB3 LYS 554 HB3 LYS 554 -9.546 -12.386 0.800 340 HG2 LYS 554 HG2 LYS 554 -6.802 -11.324 0.200 341 HG3 LYS 554 HG3 LYS 554 -7.696 -12.360 -0.911 342 HD2 LYS 554 HD2 LYS 554 -9.559 -10.685 -0.826 343 HD3 LYS 554 HD3 LYS 554 -8.483 -9.632 0.096 344 HE2 LYS 554 HE2 LYS 554 -8.476 -9.061 -2.285 345 HE3 LYS 554 HE3 LYS 554 -6.892 -9.616 -1.746 346 HZ1 LYS 554 HZ1 LYS 554 -7.358 -11.784 -2.696 347 HZ2 LYS 554 HZ2 LYS 554 -7.508 -10.589 -3.880 348 HZ3 LYS 554 HZ3 LYS 554 -8.892 -11.273 -3.191 349 H SER 555 HN SER 555 -7.808 -13.250 4.037 350 HA SER 555 HA SER 555 -10.322 -14.209 4.782 351 HB2 SER 555 HB2 SER 555 -9.097 -15.211 6.709 352 HB3 SER 555 HB3 SER 555 -8.295 -15.484 5.163 353 HG SER 555 HG SER 555 -7.150 -14.552 7.232 354 H THR 556 HN THR 556 -8.540 -11.427 5.867 355 HA THR 556 HA THR 556 -10.322 -11.094 8.167 356 HB THR 556 HB THR 556 -8.802 -9.299 8.879 357 HG1 THR 556 HG1 THR 556 -7.737 -9.732 6.326 358 HG21 THR 556 HG21 THR 556 -6.829 -10.691 9.351 359 HG22 THR 556 HG22 THR 556 -7.384 -11.866 8.159 360 HG23 THR 556 HG23 THR 556 -8.332 -11.572 9.617 361 H ASN 557 HN ASN 557 -10.627 -10.511 5.089 362 HA ASN 557 HA ASN 557 -11.634 -9.005 3.716 363 HB2 ASN 557 HB2 ASN 557 -13.387 -9.364 5.587 364 HB3 ASN 557 HB3 ASN 557 -12.890 -7.773 6.151 365 HD21 ASN 557 HD21 ASN 557 -14.341 -9.554 3.577 366 HD22 ASN 557 HD22 ASN 557 -15.097 -8.220 2.781 367 H GLN 558 HN GLN 558 -9.088 -8.335 4.370 368 HA GLN 558 HA GLN 558 -9.167 -5.428 4.470 369 HB2 GLN 558 HB2 GLN 558 -7.645 -7.173 6.400 370 HB3 GLN 558 HB3 GLN 558 -7.254 -5.481 6.136 371 HG2 GLN 558 HG2 GLN 558 -9.424 -4.811 6.931 372 HG3 GLN 558 HG3 GLN 558 -9.929 -6.496 7.083 373 HE21 GLN 558 HE21 GLN 558 -7.425 -7.429 8.134 374 HE22 GLN 558 HE22 GLN 558 -7.324 -6.852 9.761 375 H ALA 559 HN ALA 559 -7.422 -4.440 3.515 376 HA ALA 559 HA ALA 559 -5.334 -6.202 2.431 377 HB1 ALA 559 HB1 ALA 559 -5.321 -4.981 0.365 378 HB2 ALA 559 HB2 ALA 559 -6.517 -3.840 0.977 379 HB3 ALA 559 HB3 ALA 559 -6.976 -5.517 0.676 380 H PHE 560 HN PHE 560 -3.274 -5.372 2.482 381 HA PHE 560 HA PHE 560 -2.982 -2.730 3.726 382 HB2 PHE 560 HB2 PHE 560 -1.293 -5.184 4.267 383 HB3 PHE 560 HB1 PHE 560 -1.059 -3.590 4.979 384 HD1 PHE 560 HD1 PHE 560 -2.762 -6.725 5.237 385 HD2 PHE 560 HD2 PHE 560 -2.900 -2.642 6.433 386 HE1 PHE 560 HE1 PHE 560 -4.315 -7.312 7.052 387 HE2 PHE 560 HE2 PHE 560 -4.449 -3.224 8.252 388 HZ PHE 560 HZ PHE 560 -5.159 -5.561 8.561 389 H LEU 561 HN LEU 561 -1.729 -1.381 2.683 390 HA LEU 561 HA LEU 561 -0.044 -2.409 0.500 391 HB2 LEU 561 HB2 LEU 561 -2.383 -1.536 -0.113 392 HB3 LEU 561 HB1 LEU 561 -1.778 0.043 0.321 393 HG LEU 561 HG LEU 561 -0.094 -0.101 -1.456 394 HD11 LEU 561 HD11 LEU 561 0.255 -2.494 -1.497 395 HD12 LEU 561 HD12 LEU 561 -0.243 -1.935 -3.093 396 HD13 LEU 561 HD13 LEU 561 -1.400 -2.754 -2.044 397 HD21 LEU 561 HD21 LEU 561 -1.642 0.033 -3.352 398 HD22 LEU 561 HD22 LEU 561 -2.267 0.889 -1.943 399 HD23 LEU 561 HD23 LEU 561 -2.908 -0.699 -2.367 400 H GLU 562 HN GLU 562 1.965 -1.436 0.406 401 HA GLU 562 HA GLU 562 2.460 0.625 2.436 402 HB2 GLU 562 HB2 GLU 562 3.836 -1.489 2.451 403 HB3 GLU 562 HB3 GLU 562 4.520 -0.974 0.913 404 HG2 GLU 562 HG2 GLU 562 5.307 1.106 2.028 405 HG3 GLU 562 HG3 GLU 562 4.751 0.439 3.560 406 H MET 563 HN MET 563 2.942 2.613 1.916 407 HA MET 563 HA MET 563 3.284 3.247 -0.928 408 HB2 MET 563 HB2 MET 563 2.286 4.862 1.403 409 HB3 MET 563 HB3 MET 563 2.704 5.596 -0.141 410 HG2 MET 563 HG2 MET 563 0.361 5.228 -0.117 411 HG3 MET 563 HG3 MET 563 1.080 4.069 -1.232 412 HE1 MET 563 HE1 MET 563 -1.759 3.552 -0.534 413 HE2 MET 563 HE2 MET 563 -1.816 1.903 0.077 414 HE3 MET 563 HE3 MET 563 -0.821 2.285 -1.325 415 H ALA 564 HN ALA 564 4.946 4.368 -1.655 416 HA ALA 564 HA ALA 564 7.413 3.992 -0.407 417 HB1 ALA 564 HB1 ALA 564 8.358 5.226 -2.263 418 HB2 ALA 564 HB2 ALA 564 6.771 5.878 -2.669 419 HB3 ALA 564 HB3 ALA 564 7.084 4.152 -2.844 420 H TYR 565 HN TYR 565 5.322 6.824 -0.550 421 HA TYR 565 HA TYR 565 7.269 8.236 1.151 422 HB2 TYR 565 HB2 TYR 565 5.213 9.563 -0.619 423 HB3 TYR 565 HB3 TYR 565 6.580 10.313 0.189 424 HD1 TYR 565 HD1 TYR 565 5.388 8.789 -2.799 425 HD2 TYR 565 HD2 TYR 565 8.957 9.649 -0.630 426 HE1 TYR 565 HE1 TYR 565 6.697 8.510 -4.855 427 HE2 TYR 565 HE2 TYR 565 10.266 9.380 -2.692 428 HH TYR 565 HH TYR 565 10.078 8.243 -4.869 429 H THR 566 HN THR 566 6.514 9.183 3.001 430 HA THR 566 HA THR 566 4.132 8.170 4.141 431 HB THR 566 HB THR 566 6.007 8.796 5.567 432 HG1 THR 566 HG1 THR 566 4.632 10.457 6.897 433 HG21 THR 566 HG21 THR 566 6.517 11.169 6.021 434 HG22 THR 566 HG22 THR 566 5.424 11.634 4.718 435 HG23 THR 566 HG23 THR 566 6.880 10.707 4.361 436 H GLU 567 HN GLU 567 4.925 11.191 2.540 437 HA GLU 567 HA GLU 567 2.464 12.498 3.043 438 HB2 GLU 567 HB2 GLU 567 3.139 13.957 1.132 439 HB3 GLU 567 HB3 GLU 567 4.362 13.805 2.383 440 HG2 GLU 567 HG2 GLU 567 5.503 12.101 0.995 441 HG3 GLU 567 HG3 GLU 567 4.323 12.404 -0.278 442 H ALA 568 HN ALA 568 3.553 10.295 0.559 443 HA ALA 568 HA ALA 568 1.412 10.596 -1.231 444 HB1 ALA 568 HB1 ALA 568 2.082 8.371 -2.069 445 HB2 ALA 568 HB2 ALA 568 3.164 8.200 -0.689 446 HB3 ALA 568 HB3 ALA 568 3.448 9.467 -1.883 447 H ALA 569 HN ALA 569 1.924 8.388 1.483 448 HA ALA 569 HA ALA 569 -0.436 6.890 1.171 449 HB1 ALA 569 HB1 ALA 569 0.991 7.399 3.767 450 HB2 ALA 569 HB2 ALA 569 1.568 6.274 2.542 451 HB3 ALA 569 HB3 ALA 569 0.012 6.000 3.322 452 H GLN 570 HN GLN 570 0.276 9.730 3.160 453 HA GLN 570 HA GLN 570 -2.269 9.818 4.397 454 HB2 GLN 570 HB2 GLN 570 -0.145 11.929 4.032 455 HB3 GLN 570 HB3 GLN 570 -1.591 12.155 5.010 456 HG2 GLN 570 HG2 GLN 570 -0.925 10.350 6.471 457 HG3 GLN 570 HG3 GLN 570 0.479 10.019 5.458 458 HE21 GLN 570 HE21 GLN 570 2.216 11.423 5.490 459 HE22 GLN 570 HE22 GLN 570 2.437 12.591 6.746 460 H ALA 571 HN ALA 571 -0.891 11.523 1.600 461 HA ALA 571 HA ALA 571 -3.114 13.216 1.182 462 HB1 ALA 571 HB1 ALA 571 -2.111 13.720 -0.967 463 HB2 ALA 571 HB2 ALA 571 -1.038 12.329 -0.815 464 HB3 ALA 571 HB3 ALA 571 -0.880 13.691 0.295 465 H MET 572 HN MET 572 -2.309 10.002 -0.013 466 HA MET 572 HA MET 572 -4.367 9.881 -1.960 467 HB2 MET 572 HB2 MET 572 -3.788 7.643 -2.253 468 HB3 MET 572 HB3 MET 572 -2.290 8.355 -1.680 469 HG2 MET 572 HG2 MET 572 -3.311 7.578 0.657 470 HG3 MET 572 HG3 MET 572 -4.086 6.397 -0.395 471 HE1 MET 572 HE1 MET 572 -1.768 6.291 -2.674 472 HE2 MET 572 HE2 MET 572 -2.608 4.842 -2.122 473 HE3 MET 572 HE3 MET 572 -0.841 4.885 -2.143 474 H VAL 573 HN VAL 573 -4.174 8.841 1.423 475 HA VAL 573 HA VAL 573 -6.765 7.720 1.486 476 HB VAL 573 HB VAL 573 -4.934 8.619 3.706 477 HG11 VAL 573 HG11 VAL 573 -7.659 7.338 3.860 478 HG12 VAL 573 HG12 VAL 573 -7.141 8.856 4.594 479 HG13 VAL 573 HG13 VAL 573 -6.503 7.324 5.189 480 HG21 VAL 573 HG21 VAL 573 -4.754 6.180 4.061 481 HG22 VAL 573 HG22 VAL 573 -4.200 6.672 2.459 482 HG23 VAL 573 HG23 VAL 573 -5.788 5.922 2.654 483 H GLN 574 HN GLN 574 -5.512 10.941 2.194 484 HA GLN 574 HA GLN 574 -7.855 12.030 3.254 485 HB2 GLN 574 HB2 GLN 574 -5.696 13.324 1.582 486 HB3 GLN 574 HB3 GLN 574 -6.998 14.225 2.346 487 HG2 GLN 574 HG2 GLN 574 -6.239 13.412 4.542 488 HG3 GLN 574 HG3 GLN 574 -4.904 12.581 3.750 489 HE21 GLN 574 HE21 GLN 574 -6.218 15.648 4.691 490 HE22 GLN 574 HE22 GLN 574 -4.786 16.578 4.417 491 H TYR 575 HN TYR 575 -6.861 11.498 -0.087 492 HA TYR 575 HA TYR 575 -9.167 12.663 -1.254 493 HB2 TYR 575 HB2 TYR 575 -7.134 12.223 -2.563 494 HB3 TYR 575 HB3 TYR 575 -7.395 10.491 -2.370 495 HD1 TYR 575 HD1 TYR 575 -8.807 13.570 -3.863 496 HD2 TYR 575 HD2 TYR 575 -8.894 9.318 -3.789 497 HE1 TYR 575 HE1 TYR 575 -10.220 13.569 -5.874 498 HE2 TYR 575 HE2 TYR 575 -10.305 9.306 -5.801 499 HH TYR 575 HH TYR 575 -10.803 12.081 -7.717 500 H TYR 576 HN TYR 576 -8.372 9.300 -0.386 501 HA TYR 576 HA TYR 576 -10.841 8.316 -1.442 502 HB2 TYR 576 HB2 TYR 576 -8.858 6.924 0.362 503 HB3 TYR 576 HB3 TYR 576 -10.163 6.144 -0.535 504 HD1 TYR 576 HD1 TYR 576 -6.822 6.364 -0.553 505 HD2 TYR 576 HD2 TYR 576 -10.059 7.242 -3.166 506 HE1 TYR 576 HE1 TYR 576 -5.309 6.179 -2.476 507 HE2 TYR 576 HE2 TYR 576 -8.557 7.050 -5.102 508 HH TYR 576 HH TYR 576 -5.671 5.608 -5.062 509 H GLN 577 HN GLN 577 -9.971 9.654 1.586 510 HA GLN 577 HA GLN 577 -12.120 8.477 3.049 511 HB2 GLN 577 HB2 GLN 577 -10.264 10.785 3.552 512 HB3 GLN 577 HB3 GLN 577 -11.645 10.497 4.610 513 HG2 GLN 577 HG2 GLN 577 -9.557 8.435 3.972 514 HG3 GLN 577 HG3 GLN 577 -9.457 9.531 5.351 515 HE21 GLN 577 HE21 GLN 577 -9.705 6.598 5.202 516 HE22 GLN 577 HE22 GLN 577 -11.087 6.212 6.162 517 H GLU 578 HN GLU 578 -11.795 11.254 0.973 518 HA GLU 578 HA GLU 578 -14.525 12.093 1.626 519 HB2 GLU 578 HB2 GLU 578 -12.379 13.442 -0.011 520 HB3 GLU 578 HB3 GLU 578 -14.006 14.076 0.200 521 HG2 GLU 578 HG2 GLU 578 -13.631 14.196 2.621 522 HG3 GLU 578 HG3 GLU 578 -11.988 13.603 2.383 523 H LYS 579 HN LYS 579 -12.516 11.049 -1.072 524 HA LYS 579 HA LYS 579 -14.970 10.270 -2.513 525 HB2 LYS 579 HB2 LYS 579 -12.423 11.396 -3.702 526 HB3 LYS 579 HB3 LYS 579 -13.754 10.729 -4.634 527 HG2 LYS 579 HG2 LYS 579 -15.229 12.478 -3.843 528 HG3 LYS 579 HG3 LYS 579 -13.948 13.119 -2.814 529 HD2 LYS 579 HD2 LYS 579 -14.117 14.446 -4.831 530 HD3 LYS 579 HD3 LYS 579 -12.592 13.563 -4.828 531 HE2 LYS 579 HE2 LYS 579 -13.564 11.882 -6.317 532 HE3 LYS 579 HE3 LYS 579 -15.091 12.765 -6.318 533 HZ1 LYS 579 HZ1 LYS 579 -13.981 14.632 -7.348 534 HZ2 LYS 579 HZ2 LYS 579 -13.753 13.243 -8.283 535 HZ3 LYS 579 HZ3 LYS 579 -12.499 13.822 -7.311 536 HA PRO 580 HA PRO 580 -12.302 6.650 -1.562 537 HB2 PRO 580 HB2 PRO 580 -14.895 5.274 -1.356 538 HB3 PRO 580 HB3 PRO 580 -13.602 5.430 -0.156 539 HG2 PRO 580 HG2 PRO 580 -15.920 6.741 0.151 540 HG3 PRO 580 HG3 PRO 580 -14.372 7.496 0.604 541 HD2 PRO 580 HD2 PRO 580 -15.973 7.856 -1.917 542 HD3 PRO 580 HD3 PRO 580 -15.262 9.091 -0.851 543 H ALA 581 HN ALA 581 -12.047 4.566 -2.607 544 HA ALA 581 HA ALA 581 -12.681 4.817 -5.443 545 HB1 ALA 581 HB1 ALA 581 -10.919 3.185 -5.796 546 HB2 ALA 581 HB2 ALA 581 -10.762 2.947 -4.058 547 HB3 ALA 581 HB3 ALA 581 -10.336 4.500 -4.777 548 H ILE 582 HN ILE 582 -13.362 2.920 -6.669 549 HA ILE 582 HA ILE 582 -15.211 1.303 -5.038 550 HB ILE 582 HB ILE 582 -15.720 2.557 -7.739 551 HG12 ILE 582 HG12 ILE 582 -16.875 3.154 -5.012 552 HG13 ILE 582 HG13 ILE 582 -15.761 4.171 -5.898 553 HG21 ILE 582 HG21 ILE 582 -16.823 0.391 -7.532 554 HG22 ILE 582 HG22 ILE 582 -17.995 1.707 -7.522 555 HG23 ILE 582 HG23 ILE 582 -17.558 0.905 -6.014 556 HD11 ILE 582 HD11 ILE 582 -18.560 3.481 -6.752 557 HD12 ILE 582 HD12 ILE 582 -17.439 4.530 -7.622 558 HD13 ILE 582 HD13 ILE 582 -18.039 5.004 -6.033 559 H ILE 583 HN ILE 583 -15.254 -0.844 -5.395 560 HA ILE 583 HA ILE 583 -14.175 -1.842 -7.954 561 HB ILE 583 HB ILE 583 -14.001 -3.153 -5.237 562 HG12 ILE 583 HG12 ILE 583 -11.926 -2.228 -7.230 563 HG13 ILE 583 HG13 ILE 583 -12.213 -1.588 -5.616 564 HG21 ILE 583 HG21 ILE 583 -13.342 -4.340 -7.929 565 HG22 ILE 583 HG22 ILE 583 -14.659 -4.830 -6.864 566 HG23 ILE 583 HG23 ILE 583 -12.986 -5.078 -6.367 567 HD11 ILE 583 HD11 ILE 583 -11.109 -4.299 -6.316 568 HD12 ILE 583 HD12 ILE 583 -11.508 -3.774 -4.683 569 HD13 ILE 583 HD13 ILE 583 -10.239 -2.948 -5.587 570 H ASN 584 HN ASN 584 -15.674 -2.696 -9.194 571 HA ASN 584 HA ASN 584 -17.552 -3.715 -9.949 572 HB2 ASN 584 HB2 ASN 584 -17.183 -5.244 -7.374 573 HB3 ASN 584 HB3 ASN 584 -18.396 -5.665 -8.579 574 HD21 ASN 584 HD21 ASN 584 -16.177 -7.231 -7.632 575 HD22 ASN 584 HD22 ASN 584 -15.197 -7.589 -9.014 576 H GLY 585 HN GLY 585 -17.921 -1.275 -8.528 577 HA2 GLY 585 HA2 GLY 585 -19.870 -0.041 -8.197 578 HA3 GLY 585 HA1 GLY 585 -20.771 -1.543 -8.072 579 H GLU 586 HN GLU 586 -18.162 -1.872 -6.082 580 HA GLU 586 HA GLU 586 -19.741 -0.985 -3.767 581 HB2 GLU 586 HB2 GLU 586 -17.464 -2.971 -3.843 582 HB3 GLU 586 HB3 GLU 586 -18.502 -2.616 -2.466 583 HG2 GLU 586 HG2 GLU 586 -20.432 -3.454 -3.745 584 HG3 GLU 586 HG3 GLU 586 -19.338 -3.866 -5.064 585 H LYS 587 HN LYS 587 -19.026 0.628 -2.554 586 HA LYS 587 HA LYS 587 -16.589 1.969 -3.310 587 HB2 LYS 587 HB2 LYS 587 -18.570 2.655 -1.132 588 HB3 LYS 587 HB3 LYS 587 -17.304 3.706 -1.749 589 HG2 LYS 587 HG2 LYS 587 -18.399 3.715 -3.945 590 HG3 LYS 587 HG3 LYS 587 -19.680 2.691 -3.295 591 HD2 LYS 587 HD2 LYS 587 -20.232 4.442 -1.663 592 HD3 LYS 587 HD3 LYS 587 -18.967 5.466 -2.345 593 HE2 LYS 587 HE2 LYS 587 -20.138 5.396 -4.520 594 HE3 LYS 587 HE3 LYS 587 -21.425 4.457 -3.769 595 HZ1 LYS 587 HZ1 LYS 587 -21.858 6.311 -2.279 596 HZ2 LYS 587 HZ2 LYS 587 -21.995 6.794 -3.892 597 HZ3 LYS 587 HZ3 LYS 587 -20.621 7.210 -3.001 598 H LEU 588 HN LEU 588 -14.695 1.531 -2.465 599 HA LEU 588 HA LEU 588 -14.511 -0.025 -0.008 600 HB2 LEU 588 HB2 LEU 588 -12.253 0.977 -1.729 601 HB3 LEU 588 HB1 LEU 588 -12.196 -0.295 -0.527 602 HG LEU 588 HG LEU 588 -13.558 -0.416 -3.208 603 HD11 LEU 588 HD11 LEU 588 -11.873 -2.190 -3.577 604 HD12 LEU 588 HD12 LEU 588 -11.145 -1.772 -2.025 605 HD13 LEU 588 HD13 LEU 588 -11.170 -0.593 -3.334 606 HD21 LEU 588 HD21 LEU 588 -13.474 -2.437 -0.968 607 HD22 LEU 588 HD22 LEU 588 -13.997 -2.784 -2.616 608 HD23 LEU 588 HD23 LEU 588 -14.904 -1.641 -1.626 609 H LEU 589 HN LEU 589 -13.708 0.748 1.884 610 HA LEU 589 HA LEU 589 -13.037 3.579 1.983 611 HB2 LEU 589 HB2 LEU 589 -14.465 2.611 3.758 612 HB3 LEU 589 HB1 LEU 589 -13.168 1.516 4.196 613 HG LEU 589 HG LEU 589 -11.766 3.471 4.816 614 HD11 LEU 589 HD11 LEU 589 -14.298 5.021 4.297 615 HD12 LEU 589 HD12 LEU 589 -12.786 5.150 3.398 616 HD13 LEU 589 HD13 LEU 589 -12.853 5.653 5.086 617 HD21 LEU 589 HD21 LEU 589 -14.434 3.315 6.211 618 HD22 LEU 589 HD22 LEU 589 -12.948 3.983 6.885 619 HD23 LEU 589 HD23 LEU 589 -13.048 2.264 6.505 620 H ILE 590 HN ILE 590 -11.092 3.980 1.236 621 HA ILE 590 HA ILE 590 -8.844 2.275 2.011 622 HB ILE 590 HB ILE 590 -8.926 4.695 0.185 623 HG12 ILE 590 HG12 ILE 590 -8.861 1.752 -0.493 624 HG13 ILE 590 HG13 ILE 590 -10.185 2.864 -0.786 625 HG21 ILE 590 HG21 ILE 590 -6.724 2.698 0.659 626 HG22 ILE 590 HG22 ILE 590 -6.734 4.387 1.169 627 HG23 ILE 590 HG23 ILE 590 -6.699 3.984 -0.548 628 HD11 ILE 590 HD11 ILE 590 -8.961 2.410 -2.836 629 HD12 ILE 590 HD12 ILE 590 -7.467 2.977 -2.086 630 HD13 ILE 590 HD13 ILE 590 -8.790 4.106 -2.377 631 H ARG 591 HN ARG 591 -7.857 2.770 3.893 632 HA ARG 591 HA ARG 591 -7.804 5.582 4.741 633 HB2 ARG 591 HB2 ARG 591 -8.609 5.078 6.946 634 HB3 ARG 591 HB3 ARG 591 -9.776 4.490 5.774 635 HG2 ARG 591 HG2 ARG 591 -9.204 2.254 6.159 636 HG3 ARG 591 HG3 ARG 591 -7.701 2.692 6.975 637 HD2 ARG 591 HD2 ARG 591 -10.480 3.272 8.004 638 HD3 ARG 591 HD3 ARG 591 -9.451 1.947 8.548 639 HE ARG 591 HE ARG 591 -8.081 4.410 8.805 640 HH11 ARG 591 HH11 ARG 591 -10.675 2.578 10.284 641 HH12 ARG 591 HH12 ARG 591 -10.448 3.282 11.851 642 HH21 ARG 591 HH21 ARG 591 -7.771 5.329 10.872 643 HH22 ARG 591 HH22 ARG 591 -8.796 4.846 12.188 644 H MET 592 HN MET 592 -6.407 5.980 6.601 645 HA MET 592 HA MET 592 -3.839 4.825 6.272 646 HB2 MET 592 HB2 MET 592 -4.912 6.513 8.550 647 HB3 MET 592 HB3 MET 592 -3.219 6.207 8.215 648 HG2 MET 592 HG2 MET 592 -4.812 7.456 6.041 649 HG3 MET 592 HG3 MET 592 -4.479 8.427 7.473 650 HE1 MET 592 HE1 MET 592 -1.078 6.551 4.952 651 HE2 MET 592 HE2 MET 592 -2.786 6.218 4.667 652 HE3 MET 592 HE3 MET 592 -2.004 5.623 6.131 653 H SER 593 HN SER 593 -2.956 3.060 7.264 654 HA SER 593 HA SER 593 -4.616 1.436 8.922 655 HB2 SER 593 HB2 SER 593 -2.731 -0.105 8.990 656 HB3 SER 593 HB3 SER 593 -2.963 0.474 7.344 657 HG SER 593 HG SER 593 -1.215 1.824 7.586 658 H THR 594 HN THR 594 -4.549 1.103 11.086 659 HA THR 594 HA THR 594 -3.087 3.113 12.620 660 HB THR 594 HB THR 594 -4.642 2.297 14.484 661 HG1 THR 594 HG1 THR 594 -6.509 1.199 13.725 662 HG21 THR 594 HG21 THR 594 -5.862 3.552 12.020 663 HG22 THR 594 HG22 THR 594 -4.975 4.409 13.281 664 HG23 THR 594 HG23 THR 594 -6.516 3.637 13.656 665 H ARG 595 HN ARG 595 -2.952 -0.194 11.862 666 HA ARG 595 HA ARG 595 -1.507 -0.805 14.348 667 HB2 ARG 595 HB2 ARG 595 -2.777 -2.663 12.335 668 HB3 ARG 595 HB3 ARG 595 -1.880 -3.185 13.754 669 HG2 ARG 595 HG2 ARG 595 -3.523 -2.101 15.198 670 HG3 ARG 595 HG3 ARG 595 -4.419 -1.567 13.774 671 HD2 ARG 595 HD2 ARG 595 -3.867 -4.436 14.509 672 HD3 ARG 595 HD3 ARG 595 -5.383 -3.589 14.804 673 HE ARG 595 HE ARG 595 -5.458 -3.316 12.298 674 HH11 ARG 595 HH11 ARG 595 -3.829 -6.010 13.831 675 HH12 ARG 595 HH12 ARG 595 -4.035 -7.073 12.476 676 HH21 ARG 595 HH21 ARG 595 -5.740 -4.726 10.514 677 HH22 ARG 595 HH22 ARG 595 -5.117 -6.343 10.593 678 H TYR 596 HN TYR 596 -0.952 -0.116 11.092 679 HA TYR 596 HA TYR 596 1.623 -1.549 11.184 680 HB2 TYR 596 HB2 TYR 596 -0.171 -1.058 8.798 681 HB3 TYR 596 HB3 TYR 596 1.470 -1.678 8.684 682 HD1 TYR 596 HD1 TYR 596 1.842 -3.978 8.756 683 HD2 TYR 596 HD2 TYR 596 -1.838 -2.434 10.231 684 HE1 TYR 596 HE1 TYR 596 0.990 -6.271 9.018 685 HE2 TYR 596 HE2 TYR 596 -2.695 -4.720 10.505 686 HH TYR 596 HH TYR 596 -0.720 -7.451 10.381 687 H LYS 597 HN LYS 597 3.385 -0.344 10.923 688 HA LYS 597 HA LYS 597 3.127 2.437 10.074 689 HB2 LYS 597 HB2 LYS 597 5.495 0.882 11.134 690 HB3 LYS 597 HB3 LYS 597 5.569 2.562 10.639 691 HG2 LYS 597 HG2 LYS 597 5.397 2.593 12.975 692 HG3 LYS 597 HG3 LYS 597 3.793 3.020 12.381 693 HD2 LYS 597 HD2 LYS 597 2.975 0.809 12.824 694 HD3 LYS 597 HD3 LYS 597 4.597 0.238 13.216 695 HE2 LYS 597 HE2 LYS 597 3.068 2.335 14.748 696 HE3 LYS 597 HE3 LYS 597 3.228 0.645 15.221 697 HZ1 LYS 597 HZ1 LYS 597 5.468 2.571 14.924 698 HZ2 LYS 597 HZ2 LYS 597 5.614 0.953 15.389 699 HZ3 LYS 597 HZ3 LYS 597 4.805 2.049 16.388 700 H GLU 598 HN GLU 598 4.701 -0.565 9.167 701 HA GLU 598 HA GLU 598 4.673 0.190 6.379 702 HB2 GLU 598 HB2 GLU 598 7.034 -0.271 5.985 703 HB3 GLU 598 HB3 GLU 598 6.861 1.060 7.119 704 HG2 GLU 598 HG2 GLU 598 7.314 -1.752 8.050 705 HG3 GLU 598 HG3 GLU 598 8.648 -0.702 7.589 706 H LEU 599 HN LEU 599 5.301 -1.727 5.007 707 HA LEU 599 HA LEU 599 4.287 -4.138 6.300 708 HB2 LEU 599 HB2 LEU 599 4.850 -3.564 3.396 709 HB3 LEU 599 HB1 LEU 599 4.170 -5.056 4.010 710 HG LEU 599 HG LEU 599 2.844 -2.347 4.168 711 HD11 LEU 599 HD11 LEU 599 3.044 -3.354 1.883 712 HD12 LEU 599 HD12 LEU 599 1.388 -3.132 2.453 713 HD13 LEU 599 HD13 LEU 599 2.124 -4.734 2.488 714 HD21 LEU 599 HD21 LEU 599 0.915 -3.516 4.957 715 HD22 LEU 599 HD22 LEU 599 2.269 -3.933 6.008 716 HD23 LEU 599 HD23 LEU 599 1.722 -5.071 4.774 717 H GLN 600 HN GLN 600 6.796 -3.382 3.964 718 HA GLN 600 HA GLN 600 8.757 -4.390 3.423 719 HB2 GLN 600 HB2 GLN 600 8.961 -4.639 6.431 720 HB3 GLN 600 HB3 GLN 600 10.298 -4.840 5.307 721 HG2 GLN 600 HG2 GLN 600 9.915 -2.497 4.547 722 HG3 GLN 600 HG3 GLN 600 8.731 -2.329 5.842 723 HE21 GLN 600 HE21 GLN 600 12.089 -2.606 5.044 724 HE22 GLN 600 HE22 GLN 600 12.705 -2.195 6.601 725 H LEU 601 HN LEU 601 7.627 -6.131 2.410 726 HA LEU 601 HA LEU 601 6.745 -8.495 3.416 727 HB2 LEU 601 HB2 LEU 601 8.400 -8.108 0.920 728 HB3 LEU 601 HB1 LEU 601 7.480 -9.554 1.285 729 HG LEU 601 HG LEU 601 6.324 -6.800 0.844 730 HD11 LEU 601 HD11 LEU 601 7.170 -7.780 -1.212 731 HD12 LEU 601 HD12 LEU 601 5.406 -7.776 -1.209 732 HD13 LEU 601 HD13 LEU 601 6.285 -9.271 -0.884 733 HD21 LEU 601 HD21 LEU 601 4.160 -7.959 0.878 734 HD22 LEU 601 HD22 LEU 601 4.994 -8.066 2.427 735 HD23 LEU 601 HD23 LEU 601 4.978 -9.452 1.336 736 H LYS 602 HN LYS 602 7.568 -10.329 4.255 737 HA LYS 602 HA LYS 602 10.177 -10.098 5.415 738 HB2 LYS 602 HB2 LYS 602 8.178 -12.356 5.569 739 HB3 LYS 602 HB3 LYS 602 9.597 -12.168 6.590 740 HG2 LYS 602 HG2 LYS 602 8.673 -10.098 7.497 741 HG3 LYS 602 HG3 LYS 602 7.249 -10.288 6.473 742 HD2 LYS 602 HD2 LYS 602 6.748 -12.417 7.602 743 HD3 LYS 602 HD3 LYS 602 8.148 -12.175 8.648 744 HE2 LYS 602 HE2 LYS 602 5.698 -10.424 8.474 745 HE3 LYS 602 HE3 LYS 602 6.132 -11.499 9.802 746 HZ1 LYS 602 HZ1 LYS 602 7.615 -9.074 8.942 747 HZ2 LYS 602 HZ2 LYS 602 8.133 -10.138 10.148 748 HZ3 LYS 602 HZ3 LYS 602 6.710 -9.252 10.359 749 H LYS 603 HN LYS 603 10.874 -10.107 2.956 750 HA LYS 603 HA LYS 603 11.391 -12.642 1.782 751 HB2 LYS 603 HB2 LYS 603 12.868 -10.019 1.434 752 HB3 LYS 603 HB3 LYS 603 12.983 -11.411 0.367 753 HG2 LYS 603 HG2 LYS 603 10.676 -11.150 -0.295 754 HG3 LYS 603 HG3 LYS 603 10.461 -9.841 0.866 755 HD2 LYS 603 HD2 LYS 603 10.756 -8.890 -1.324 756 HD3 LYS 603 HD3 LYS 603 12.187 -8.538 -0.357 757 HE2 LYS 603 HE2 LYS 603 12.887 -9.186 -2.561 758 HE3 LYS 603 HE3 LYS 603 13.324 -10.469 -1.433 759 HZ1 LYS 603 HZ1 LYS 603 10.957 -10.470 -3.231 760 HZ2 LYS 603 HZ2 LYS 603 11.363 -11.698 -2.146 761 HZ3 LYS 603 HZ3 LYS 603 12.372 -11.365 -3.457 762 HA PRO 604 HA PRO 604 14.600 -13.911 4.619 763 HB2 PRO 604 HB2 PRO 604 15.613 -15.926 3.060 764 HB3 PRO 604 HB3 PRO 604 14.170 -16.090 4.065 765 HG2 PRO 604 HG2 PRO 604 14.387 -15.571 1.129 766 HG3 PRO 604 HG3 PRO 604 13.258 -16.622 2.003 767 HD2 PRO 604 HD2 PRO 604 12.545 -14.185 1.094 768 HD3 PRO 604 HD3 PRO 604 11.881 -14.865 2.592 769 H GLY 605 HN GLY 605 16.631 -13.181 4.883 770 HA2 GLY 605 HA2 GLY 605 18.752 -12.421 4.341 771 HA3 GLY 605 HA1 GLY 605 18.447 -12.871 2.667 772 H LYS 606 HN LYS 606 18.122 -10.380 5.079 773 HA LYS 606 HA LYS 606 16.602 -8.562 3.530 774 HB2 LYS 606 HB2 LYS 606 18.521 -7.916 5.778 775 HB3 LYS 606 HB3 LYS 606 17.217 -6.894 5.189 776 HG2 LYS 606 HG2 LYS 606 16.992 -9.488 6.685 777 HG3 LYS 606 HG3 LYS 606 16.474 -7.885 7.204 778 HD2 LYS 606 HD2 LYS 606 14.741 -7.853 5.525 779 HD3 LYS 606 HD3 LYS 606 15.316 -9.382 4.854 780 HE2 LYS 606 HE2 LYS 606 14.843 -10.432 7.072 781 HE3 LYS 606 HE3 LYS 606 14.085 -8.919 7.563 782 HZ1 LYS 606 HZ1 LYS 606 12.500 -9.165 5.775 783 HZ2 LYS 606 HZ2 LYS 606 12.468 -10.534 6.767 784 HZ3 LYS 606 HZ3 LYS 606 13.244 -10.598 5.264 785 H ASN 607 HN ASN 607 19.979 -9.307 3.733 786 HA ASN 607 HA ASN 607 21.002 -7.026 2.402 787 HB2 ASN 607 HB2 ASN 607 23.014 -8.405 2.013 788 HB3 ASN 607 HB3 ASN 607 22.467 -8.509 3.681 789 HD21 ASN 607 HD21 ASN 607 24.073 -10.316 1.927 790 HD22 ASN 607 HD22 ASN 607 23.298 -11.856 2.045 791 H VAL 608 HN VAL 608 19.546 -9.998 1.330 792 HA VAL 608 HA VAL 608 20.362 -9.785 -1.406 793 HB VAL 608 HB VAL 608 18.026 -11.358 -0.314 794 HG11 VAL 608 HG11 VAL 608 18.087 -11.150 -2.744 795 HG12 VAL 608 HG12 VAL 608 18.409 -12.807 -2.236 796 HG13 VAL 608 HG13 VAL 608 19.737 -11.774 -2.761 797 HG21 VAL 608 HG21 VAL 608 19.603 -13.262 -0.151 798 HG22 VAL 608 HG22 VAL 608 19.956 -11.962 0.986 799 HG23 VAL 608 HG23 VAL 608 20.931 -12.146 -0.471 800 H ALA 609 HN ALA 609 17.635 -8.741 0.511 801 HA ALA 609 HA ALA 609 16.133 -7.875 -1.817 802 HB1 ALA 609 HB1 ALA 609 14.412 -7.217 -0.223 803 HB2 ALA 609 HB2 ALA 609 15.507 -7.565 1.116 804 HB3 ALA 609 HB3 ALA 609 14.945 -8.872 0.074 805 H ALA 610 HN ALA 610 18.720 -6.705 -0.356 806 HA ALA 610 HA ALA 610 19.809 -4.729 -0.335 807 HB1 ALA 610 HB1 ALA 610 19.043 -2.875 -1.664 808 HB2 ALA 610 HB2 ALA 610 17.435 -3.586 -1.793 809 HB3 ALA 610 HB3 ALA 610 18.812 -4.377 -2.560 810 H ILE 611 HN ILE 611 20.031 -3.999 1.656 811 HA ILE 611 HA ILE 611 17.755 -3.171 3.230 812 HB ILE 611 HB ILE 611 20.701 -3.028 3.911 813 HG12 ILE 611 HG12 ILE 611 18.644 -5.121 4.650 814 HG13 ILE 611 HG13 ILE 611 19.894 -5.329 3.428 815 HG21 ILE 611 HG21 ILE 611 18.236 -2.843 5.643 816 HG22 ILE 611 HG22 ILE 611 19.364 -1.536 5.279 817 HG23 ILE 611 HG23 ILE 611 19.894 -2.918 6.238 818 HD11 ILE 611 HD11 ILE 611 21.606 -5.055 5.161 819 HD12 ILE 611 HD12 ILE 611 20.528 -6.413 5.487 820 HD13 ILE 611 HD13 ILE 611 20.333 -4.900 6.371 821 H ILE 612 HN ILE 612 17.063 -1.451 1.884 822 HA ILE 612 HA ILE 612 18.803 0.785 1.379 823 HB ILE 612 HB ILE 612 15.837 0.500 0.866 824 HG12 ILE 612 HG12 ILE 612 18.183 0.049 -0.994 825 HG13 ILE 612 HG13 ILE 612 17.219 -1.227 -0.262 826 HG21 ILE 612 HG21 ILE 612 16.165 2.308 -0.753 827 HG22 ILE 612 HG22 ILE 612 17.860 2.425 -0.281 828 HG23 ILE 612 HG23 ILE 612 16.593 2.826 0.878 829 HD11 ILE 612 HD11 ILE 612 15.260 -0.457 -1.473 830 HD12 ILE 612 HD12 ILE 612 16.588 -0.818 -2.577 831 HD13 ILE 612 HD13 ILE 612 16.201 0.857 -2.179 832 H GLN 613 HN GLN 613 19.266 1.248 3.629 833 HA GLN 613 HA GLN 613 17.115 2.713 5.003 834 HB2 GLN 613 HB2 GLN 613 19.692 1.510 6.000 835 HB3 GLN 613 HB3 GLN 613 18.749 2.639 6.961 836 HG2 GLN 613 HG2 GLN 613 16.858 1.117 6.927 837 HG3 GLN 613 HG3 GLN 613 17.765 -0.005 5.914 838 HE21 GLN 613 HE21 GLN 613 17.553 -1.630 7.471 839 HE22 GLN 613 HE22 GLN 613 18.493 -1.628 8.923 840 H ASP 614 HN ASP 614 20.191 3.034 3.460 841 HA ASP 614 HA ASP 614 20.610 5.690 4.583 842 HB2 ASP 614 HB2 ASP 614 22.843 5.548 3.495 843 HB3 ASP 614 HB3 ASP 614 22.544 4.252 4.643 844 H ILE 615 HN ILE 615 20.784 4.258 1.298 845 HA ILE 615 HA ILE 615 20.419 6.927 0.196 846 HB ILE 615 HB ILE 615 20.892 4.304 -1.231 847 HG12 ILE 615 HG12 ILE 615 22.800 4.934 0.159 848 HG13 ILE 615 HG13 ILE 615 23.192 5.152 -1.543 849 HG21 ILE 615 HG21 ILE 615 20.994 7.133 -2.273 850 HG22 ILE 615 HG22 ILE 615 19.756 5.935 -2.645 851 HG23 ILE 615 HG23 ILE 615 21.417 5.682 -3.182 852 HD11 ILE 615 HD11 ILE 615 22.788 7.558 -1.310 853 HD12 ILE 615 HD12 ILE 615 24.056 6.982 -0.229 854 HD13 ILE 615 HD13 ILE 615 22.445 7.321 0.403 855 H HIS 616 HN HIS 616 18.315 7.504 0.466 856 HA HIS 616 HA HIS 616 16.261 5.737 -0.669 857 HB2 HIS 616 HB2 HIS 616 16.034 8.184 1.092 858 HB3 HIS 616 HB3 HIS 616 14.639 7.387 0.361 859 HD1 HIS 616 HD1 HIS 616 16.101 7.576 3.483 860 HD2 HIS 616 HD2 HIS 616 15.037 4.346 1.091 861 HE1 HIS 616 HE1 HIS 616 15.842 5.625 5.053 862 HE2 HIS 616 HE2 HIS 616 15.153 3.687 3.591 863 H SER 617 HN SER 617 18.214 8.306 -1.481 864 HA SER 617 HA SER 617 16.474 9.820 -3.128 865 HB2 SER 617 HB2 SER 617 18.703 10.559 -4.161 866 HB3 SER 617 HB3 SER 617 18.490 10.860 -2.436 867 HG SER 617 HG SER 617 20.496 9.930 -2.725 868 H GLN 618 HN GLN 618 18.257 6.893 -3.536 869 HA GLN 618 HA GLN 618 17.281 6.651 -6.300 870 HB2 GLN 618 HB2 GLN 618 19.980 5.801 -5.225 871 HB3 GLN 618 HB3 GLN 618 19.373 5.410 -6.827 872 HG2 GLN 618 HG2 GLN 618 19.352 7.745 -7.429 873 HG3 GLN 618 HG3 GLN 618 19.847 8.197 -5.799 874 HE21 GLN 618 HE21 GLN 618 21.694 9.223 -6.547 875 HE22 GLN 618 HE22 GLN 618 23.065 8.345 -7.128 876 H ARG 619 HN ARG 619 17.666 4.193 -6.943 877 HA ARG 619 HA ARG 619 16.514 2.540 -4.835 878 HB2 ARG 619 HB2 ARG 619 17.069 1.995 -7.759 879 HB3 ARG 619 HB3 ARG 619 16.361 0.825 -6.655 880 HG2 ARG 619 HG2 ARG 619 14.422 2.190 -6.354 881 HG3 ARG 619 HG3 ARG 619 15.158 3.508 -7.269 882 HD2 ARG 619 HD2 ARG 619 14.496 0.782 -8.376 883 HD3 ARG 619 HD3 ARG 619 13.517 2.231 -8.595 884 HE ARG 619 HE ARG 619 16.138 2.768 -9.447 885 HH11 ARG 619 HH11 ARG 619 13.345 0.885 -10.395 886 HH12 ARG 619 HH12 ARG 619 13.742 0.911 -12.083 887 HH21 ARG 619 HH21 ARG 619 16.641 2.843 -11.672 888 HH22 ARG 619 HH22 ARG 619 15.614 2.033 -12.810 889 H GLU 620 HN GLU 620 17.912 1.696 -3.464 890 HA GLU 620 HA GLU 620 19.707 0.641 -2.570 891 HB2 GLU 620 HB2 GLU 620 20.428 -0.012 -5.433 892 HB3 GLU 620 HB3 GLU 620 21.220 -0.679 -4.014 893 HG2 GLU 620 HG2 GLU 620 19.152 -1.757 -3.343 894 HG3 GLU 620 HG3 GLU 620 18.322 -1.058 -4.733 895 H ARG 621 HN ARG 621 22.208 0.728 -2.617 896 HA ARG 621 HA ARG 621 22.893 3.524 -2.940 897 HB2 ARG 621 HB2 ARG 621 24.975 2.896 -1.723 898 HB3 ARG 621 HB3 ARG 621 23.500 2.536 -0.840 899 HG2 ARG 621 HG2 ARG 621 23.724 0.165 -1.717 900 HG3 ARG 621 HG3 ARG 621 25.353 0.622 -2.223 901 HD2 ARG 621 HD2 ARG 621 25.387 -0.452 -0.034 902 HD3 ARG 621 HD3 ARG 621 25.898 1.232 0.082 903 HE ARG 621 HE ARG 621 23.747 1.765 1.023 904 HH11 ARG 621 HH11 ARG 621 24.478 -1.664 0.800 905 HH12 ARG 621 HH12 ARG 621 23.293 -2.115 1.981 906 HH21 ARG 621 HH21 ARG 621 22.183 1.169 2.543 907 HH22 ARG 621 HH22 ARG 621 21.987 -0.511 2.973 Start of MODEL 6 1 H1 GLY 510 HT1 GLY 510 16.761 -9.920 2.963 2 H2 GLY 510 HT2 GLY 510 17.927 -8.805 2.463 3 H3 GLY 510 HT3 GLY 510 17.792 -10.293 1.676 4 HA2 GLY 510 HA1 GLY 510 16.824 -8.517 0.352 5 HA3 GLY 510 HA2 GLY 510 15.631 -9.719 0.828 6 H ALA 511 HN ALA 511 15.564 -6.740 0.178 7 HA ALA 511 HA ALA 511 13.569 -6.111 2.177 8 HB1 ALA 511 HB1 ALA 511 15.951 -4.291 1.793 9 HB2 ALA 511 HB2 ALA 511 15.606 -5.249 3.234 10 HB3 ALA 511 HB3 ALA 511 14.524 -3.937 2.767 11 H MET 512 HN MET 512 12.167 -6.226 0.409 12 HA MET 512 HA MET 512 12.719 -4.676 -1.971 13 HB2 MET 512 HB2 MET 512 10.461 -6.512 -1.189 14 HB3 MET 512 HB3 MET 512 10.463 -5.608 -2.695 15 HG2 MET 512 HG2 MET 512 11.215 -7.846 -3.103 16 HG3 MET 512 HG3 MET 512 12.557 -6.730 -3.338 17 HE1 MET 512 HE1 MET 512 12.884 -9.900 -3.035 18 HE2 MET 512 HE2 MET 512 14.295 -9.978 -1.979 19 HE3 MET 512 HE3 MET 512 14.237 -8.799 -3.289 20 H ALA 513 HN ALA 513 12.566 -2.904 0.046 21 HA ALA 513 HA ALA 513 10.057 -1.498 -0.542 22 HB1 ALA 513 HB1 ALA 513 9.840 -0.803 1.787 23 HB2 ALA 513 HB2 ALA 513 11.243 -1.783 2.217 24 HB3 ALA 513 HB3 ALA 513 9.768 -2.557 1.635 25 H GLN 514 HN GLN 514 10.297 0.602 -0.949 26 HA GLN 514 HA GLN 514 12.884 1.719 -1.297 27 HB2 GLN 514 HB2 GLN 514 10.185 3.098 -1.298 28 HB3 GLN 514 HB3 GLN 514 11.687 3.787 -1.896 29 HG2 GLN 514 HG2 GLN 514 10.363 1.325 -3.018 30 HG3 GLN 514 HG3 GLN 514 10.237 2.945 -3.700 31 HE21 GLN 514 HE21 GLN 514 11.941 3.787 -4.840 32 HE22 GLN 514 HE22 GLN 514 13.327 2.861 -5.297 33 H ARG 515 HN ARG 515 10.441 1.906 1.167 34 HA ARG 515 HA ARG 515 10.239 2.972 3.146 35 HB2 ARG 515 HB2 ARG 515 13.235 3.345 2.948 36 HB3 ARG 515 HB3 ARG 515 12.266 3.568 4.399 37 HG2 ARG 515 HG2 ARG 515 11.626 1.172 4.265 38 HG3 ARG 515 HG3 ARG 515 12.745 0.997 2.912 39 HD2 ARG 515 HD2 ARG 515 13.424 1.793 5.739 40 HD3 ARG 515 HD3 ARG 515 13.830 0.275 4.940 41 HE ARG 515 HE ARG 515 14.878 2.544 3.550 42 HH11 ARG 515 HH11 ARG 515 15.433 0.359 6.221 43 HH12 ARG 515 HH12 ARG 515 17.154 0.629 6.258 44 HH21 ARG 515 HH21 ARG 515 17.123 2.947 3.629 45 HH22 ARG 515 HH22 ARG 515 18.097 2.126 4.804 46 H LYS 516 HN LYS 516 12.939 4.873 1.865 47 HA LYS 516 HA LYS 516 13.186 7.098 1.502 48 HB2 LYS 516 HB2 LYS 516 10.659 6.500 -0.032 49 HB3 LYS 516 HB3 LYS 516 11.549 8.011 -0.180 50 HG2 LYS 516 HG2 LYS 516 13.538 6.708 -0.884 51 HG3 LYS 516 HG3 LYS 516 12.540 5.253 -0.859 52 HD2 LYS 516 HD2 LYS 516 11.052 6.244 -2.530 53 HD3 LYS 516 HD3 LYS 516 12.042 7.704 -2.546 54 HE2 LYS 516 HE2 LYS 516 12.914 4.935 -3.364 55 HE3 LYS 516 HE3 LYS 516 12.583 6.289 -4.441 56 HZ1 LYS 516 HZ1 LYS 516 14.926 6.096 -4.138 57 HZ2 LYS 516 HZ2 LYS 516 14.778 6.091 -2.456 58 HZ3 LYS 516 HZ3 LYS 516 14.416 7.494 -3.331 59 H GLY 517 HN GLY 517 9.781 7.649 1.213 60 HA2 GLY 517 HA2 GLY 517 9.941 9.887 2.925 61 HA3 GLY 517 HA1 GLY 517 8.475 9.211 2.239 62 H ALA 518 HN ALA 518 8.968 6.563 3.402 63 HA ALA 518 HA ALA 518 9.197 6.557 6.166 64 HB1 ALA 518 HB1 ALA 518 7.341 8.144 6.230 65 HB2 ALA 518 HB2 ALA 518 6.879 6.606 6.958 66 HB3 ALA 518 HB3 ALA 518 6.331 7.011 5.332 67 H GLY 519 HN GLY 519 7.367 5.338 3.406 68 HA2 GLY 519 HA2 GLY 519 6.690 3.207 2.858 69 HA3 GLY 519 HA1 GLY 519 7.842 2.616 4.053 70 H ARG 520 HN ARG 520 4.740 4.348 3.940 71 HA ARG 520 HA ARG 520 3.974 3.058 6.453 72 HB2 ARG 520 HB2 ARG 520 2.877 5.446 4.980 73 HB3 ARG 520 HB3 ARG 520 2.012 4.691 6.310 74 HG2 ARG 520 HG2 ARG 520 3.998 5.101 7.748 75 HG3 ARG 520 HG3 ARG 520 4.713 6.006 6.412 76 HD2 ARG 520 HD2 ARG 520 2.820 7.545 6.432 77 HD3 ARG 520 HD3 ARG 520 2.078 6.629 7.742 78 HE ARG 520 HE ARG 520 4.673 7.460 8.490 79 HH11 ARG 520 HH11 ARG 520 1.439 8.704 8.002 80 HH12 ARG 520 HH12 ARG 520 1.643 10.026 9.104 81 HH21 ARG 520 HH21 ARG 520 4.949 9.217 9.932 82 HH22 ARG 520 HH22 ARG 520 3.634 10.320 10.195 83 H VAL 521 HN VAL 521 1.732 2.322 6.658 84 HA VAL 521 HA VAL 521 0.944 0.921 4.201 85 HB VAL 521 HB VAL 521 0.550 0.072 7.074 86 HG11 VAL 521 HG11 VAL 521 -0.255 -2.042 6.138 87 HG12 VAL 521 HG12 VAL 521 -0.134 -1.369 4.513 88 HG13 VAL 521 HG13 VAL 521 -1.285 -0.693 5.665 89 HG21 VAL 521 HG21 VAL 521 2.417 -0.875 4.913 90 HG22 VAL 521 HG22 VAL 521 2.114 -1.761 6.409 91 HG23 VAL 521 HG23 VAL 521 2.843 -0.156 6.466 92 H VAL 522 HN VAL 522 -0.980 1.184 3.412 93 HA VAL 522 HA VAL 522 -3.066 2.553 4.975 94 HB VAL 522 HB VAL 522 -2.772 2.165 1.986 95 HG11 VAL 522 HG11 VAL 522 -4.927 3.588 3.514 96 HG12 VAL 522 HG12 VAL 522 -5.103 2.093 2.594 97 HG13 VAL 522 HG13 VAL 522 -4.721 3.601 1.764 98 HG21 VAL 522 HG21 VAL 522 -2.641 4.658 3.663 99 HG22 VAL 522 HG22 VAL 522 -2.493 4.577 1.908 100 HG23 VAL 522 HG23 VAL 522 -1.261 3.839 2.933 101 H HIS 523 HN HIS 523 -4.978 1.466 5.407 102 HA HIS 523 HA HIS 523 -5.038 -1.318 4.465 103 HB2 HIS 523 HB2 HIS 523 -6.008 -2.021 6.433 104 HB3 HIS 523 HB3 HIS 523 -5.023 -0.695 7.027 105 HD1 HIS 523 HD1 HIS 523 -6.235 1.185 8.228 106 HD2 HIS 523 HD2 HIS 523 -8.817 -1.447 6.310 107 HE1 HIS 523 HE1 HIS 523 -8.529 1.775 9.050 108 HE2 HIS 523 HE2 HIS 523 -10.059 0.073 8.001 109 H ILE 524 HN ILE 524 -6.727 -2.082 3.376 110 HA ILE 524 HA ILE 524 -8.841 -0.153 2.712 111 HB ILE 524 HB ILE 524 -7.723 -2.422 1.068 112 HG12 ILE 524 HG12 ILE 524 -7.687 0.575 0.661 113 HG13 ILE 524 HG13 ILE 524 -6.317 -0.407 1.166 114 HG21 ILE 524 HG21 ILE 524 -9.250 -1.561 -0.711 115 HG22 ILE 524 HG22 ILE 524 -10.049 -0.592 0.528 116 HG23 ILE 524 HG23 ILE 524 -10.058 -2.354 0.640 117 HD11 ILE 524 HD11 ILE 524 -7.748 -0.678 -1.461 118 HD12 ILE 524 HD12 ILE 524 -6.285 -1.522 -0.957 119 HD13 ILE 524 HD13 ILE 524 -6.254 0.221 -1.206 120 H CYS 525 HN CYS 525 -10.819 -0.605 3.303 121 HA CYS 525 HA CYS 525 -11.435 -3.356 4.142 122 HB2 CYS 525 HB2 CYS 525 -13.010 -2.340 5.782 123 HB3 CYS 525 HB3 CYS 525 -11.328 -1.932 6.089 124 HG CYS 525 HG CYS 525 -13.762 0.095 4.818 125 H ASN 526 HN ASN 526 -13.977 -3.532 4.320 126 HA ASN 526 HA ASN 526 -15.961 -3.712 3.239 127 HB2 ASN 526 HB2 ASN 526 -15.029 -1.238 1.764 128 HB3 ASN 526 HB3 ASN 526 -16.627 -1.950 1.585 129 HD21 ASN 526 HD21 ASN 526 -18.101 -1.794 3.269 130 HD22 ASN 526 HD22 ASN 526 -17.897 -0.655 4.555 131 H LEU 527 HN LEU 527 -13.486 -4.981 2.362 132 HA LEU 527 HA LEU 527 -13.564 -5.030 -0.518 133 HB2 LEU 527 HB2 LEU 527 -11.919 -6.498 1.534 134 HB3 LEU 527 HB1 LEU 527 -11.783 -6.820 -0.185 135 HG LEU 527 HG LEU 527 -11.341 -4.086 1.013 136 HD11 LEU 527 HD11 LEU 527 -8.960 -4.494 0.786 137 HD12 LEU 527 HD12 LEU 527 -9.276 -6.151 0.259 138 HD13 LEU 527 HD13 LEU 527 -9.680 -5.657 1.904 139 HD21 LEU 527 HD21 LEU 527 -11.920 -4.095 -1.338 140 HD22 LEU 527 HD22 LEU 527 -10.675 -5.302 -1.660 141 HD23 LEU 527 HD23 LEU 527 -10.218 -3.684 -1.130 142 HA PRO 528 HA PRO 528 -16.525 -8.400 -0.680 143 HB2 PRO 528 HB2 PRO 528 -16.499 -8.605 -3.391 144 HB3 PRO 528 HB3 PRO 528 -17.426 -7.375 -2.526 145 HG2 PRO 528 HG2 PRO 528 -14.761 -7.142 -3.866 146 HG3 PRO 528 HG3 PRO 528 -16.126 -6.012 -3.890 147 HD2 PRO 528 HD2 PRO 528 -13.965 -5.656 -2.310 148 HD3 PRO 528 HD3 PRO 528 -15.591 -5.132 -1.828 149 H GLU 529 HN GLU 529 -16.154 -10.518 -0.576 150 HA GLU 529 HA GLU 529 -13.515 -11.520 -0.797 151 HB2 GLU 529 HB2 GLU 529 -16.121 -13.016 -0.490 152 HB3 GLU 529 HB3 GLU 529 -14.519 -13.683 -0.212 153 HG2 GLU 529 HG2 GLU 529 -14.166 -12.145 1.624 154 HG3 GLU 529 HG3 GLU 529 -15.735 -11.399 1.323 155 H GLY 530 HN GLY 530 -12.484 -12.249 -2.521 156 HA2 GLY 530 HA2 GLY 530 -12.068 -13.423 -4.451 157 HA3 GLY 530 HA1 GLY 530 -13.719 -14.007 -4.392 158 H SER 531 HN SER 531 -13.748 -10.658 -4.294 159 HA SER 531 HA SER 531 -14.352 -10.598 -7.169 160 HB2 SER 531 HB2 SER 531 -16.176 -9.972 -5.598 161 HB3 SER 531 HB3 SER 531 -15.183 -8.639 -5.016 162 HG SER 531 HG SER 531 -16.740 -8.790 -7.220 163 H CYS 532 HN CYS 532 -12.509 -8.983 -4.639 164 HA CYS 532 HA CYS 532 -11.289 -7.164 -6.532 165 HB2 CYS 532 HB2 CYS 532 -10.699 -7.675 -3.608 166 HB3 CYS 532 HB3 CYS 532 -9.964 -6.405 -4.582 167 HG CYS 532 HG CYS 532 -11.755 -4.653 -4.073 168 H THR 533 HN THR 533 -9.214 -7.306 -7.320 169 HA THR 533 HA THR 533 -7.890 -9.895 -6.911 170 HB THR 533 HB THR 533 -6.733 -9.517 -9.011 171 HG1 THR 533 HG1 THR 533 -8.196 -7.137 -9.474 172 HG21 THR 533 HG21 THR 533 -9.680 -8.910 -9.268 173 HG22 THR 533 HG22 THR 533 -8.945 -10.511 -9.197 174 HG23 THR 533 HG23 THR 533 -8.636 -9.459 -10.578 175 H GLU 534 HN GLU 534 -5.416 -9.747 -7.073 176 HA GLU 534 HA GLU 534 -4.341 -8.113 -5.097 177 HB2 GLU 534 HB2 GLU 534 -2.869 -9.185 -7.510 178 HB3 GLU 534 HB3 GLU 534 -2.149 -8.671 -5.992 179 HG2 GLU 534 HG2 GLU 534 -3.217 -10.500 -4.828 180 HG3 GLU 534 HG3 GLU 534 -4.028 -10.995 -6.313 181 H ASN 535 HN ASN 535 -4.568 -7.643 -8.577 182 HA ASN 535 HA ASN 535 -2.933 -5.339 -8.688 183 HB2 ASN 535 HB2 ASN 535 -4.894 -6.578 -10.594 184 HB3 ASN 535 HB3 ASN 535 -4.174 -5.011 -10.942 185 HD21 ASN 535 HD21 ASN 535 -2.471 -7.537 -9.230 186 HD22 ASN 535 HD22 ASN 535 -1.341 -7.889 -10.488 187 H ASP 536 HN ASP 536 -6.462 -5.749 -8.449 188 HA ASP 536 HA ASP 536 -7.142 -3.069 -8.904 189 HB2 ASP 536 HB2 ASP 536 -8.525 -5.220 -7.313 190 HB3 ASP 536 HB3 ASP 536 -9.182 -3.596 -7.459 191 H VAL 537 HN VAL 537 -6.424 -4.743 -5.874 192 HA VAL 537 HA VAL 537 -6.995 -2.594 -4.149 193 HB VAL 537 HB VAL 537 -5.038 -4.859 -3.709 194 HG11 VAL 537 HG11 VAL 537 -4.907 -2.922 -2.121 195 HG12 VAL 537 HG12 VAL 537 -5.276 -4.481 -1.389 196 HG13 VAL 537 HG13 VAL 537 -6.563 -3.304 -1.641 197 HG21 VAL 537 HG21 VAL 537 -7.987 -4.688 -3.106 198 HG22 VAL 537 HG22 VAL 537 -6.915 -6.001 -2.614 199 HG23 VAL 537 HG23 VAL 537 -7.225 -5.711 -4.326 200 H ILE 538 HN ILE 538 -3.959 -3.676 -5.622 201 HA ILE 538 HA ILE 538 -2.307 -1.691 -4.457 202 HB ILE 538 HB ILE 538 -1.935 -3.284 -6.999 203 HG12 ILE 538 HG12 ILE 538 -0.789 -3.745 -4.237 204 HG13 ILE 538 HG13 ILE 538 -2.200 -4.585 -4.872 205 HG21 ILE 538 HG21 ILE 538 -0.517 -1.307 -7.002 206 HG22 ILE 538 HG22 ILE 538 0.452 -2.760 -6.759 207 HG23 ILE 538 HG23 ILE 538 0.077 -1.712 -5.392 208 HD11 ILE 538 HD11 ILE 538 -0.210 -5.950 -5.052 209 HD12 ILE 538 HD12 ILE 538 0.582 -4.696 -6.009 210 HD13 ILE 538 HD13 ILE 538 -0.830 -5.537 -6.650 211 H ASN 539 HN ASN 539 -3.979 -1.927 -7.559 212 HA ASN 539 HA ASN 539 -2.928 0.405 -8.712 213 HB2 ASN 539 HB2 ASN 539 -5.402 -1.206 -9.283 214 HB3 ASN 539 HB3 ASN 539 -5.040 0.266 -10.176 215 HD21 ASN 539 HD21 ASN 539 -4.824 -0.867 -12.101 216 HD22 ASN 539 HD22 ASN 539 -3.442 -1.856 -12.436 217 H LEU 540 HN LEU 540 -5.566 -0.053 -6.471 218 HA LEU 540 HA LEU 540 -6.827 2.439 -6.907 219 HB2 LEU 540 HB2 LEU 540 -6.755 0.667 -4.481 220 HB3 LEU 540 HB1 LEU 540 -7.706 2.134 -4.570 221 HG LEU 540 HG LEU 540 -8.063 -0.381 -6.190 222 HD11 LEU 540 HD11 LEU 540 -10.257 -0.393 -5.132 223 HD12 LEU 540 HD12 LEU 540 -9.850 1.079 -4.251 224 HD13 LEU 540 HD13 LEU 540 -8.968 -0.417 -3.928 225 HD21 LEU 540 HD21 LEU 540 -9.958 0.773 -7.260 226 HD22 LEU 540 HD22 LEU 540 -8.411 1.507 -7.673 227 HD23 LEU 540 HD23 LEU 540 -9.464 2.278 -6.485 228 H GLY 541 HN GLY 541 -4.148 1.487 -4.811 229 HA2 GLY 541 HA2 GLY 541 -4.112 3.989 -3.408 230 HA3 GLY 541 HA1 GLY 541 -2.870 2.747 -3.351 231 H LEU 542 HN LEU 542 -2.405 2.658 -6.160 232 HA LEU 542 HA LEU 542 -0.185 4.243 -6.269 233 HB2 LEU 542 HB2 LEU 542 -1.808 3.051 -8.486 234 HB3 LEU 542 HB1 LEU 542 -0.299 3.886 -8.784 235 HG LEU 542 HG LEU 542 -0.542 1.494 -6.965 236 HD11 LEU 542 HD11 LEU 542 0.392 0.188 -8.775 237 HD12 LEU 542 HD12 LEU 542 0.382 1.601 -9.828 238 HD13 LEU 542 HD13 LEU 542 -1.138 0.906 -9.271 239 HD21 LEU 542 HD21 LEU 542 1.834 2.855 -8.222 240 HD22 LEU 542 HD22 LEU 542 1.880 1.419 -7.201 241 HD23 LEU 542 HD23 LEU 542 1.361 2.962 -6.528 242 HA PRO 543 HA PRO 543 -2.612 7.332 -9.341 243 HB2 PRO 543 HB2 PRO 543 -4.979 7.500 -7.491 244 HB3 PRO 543 HB3 PRO 543 -4.897 7.790 -9.242 245 HG2 PRO 543 HG2 PRO 543 -5.840 5.507 -8.381 246 HG3 PRO 543 HG3 PRO 543 -4.663 5.500 -9.713 247 HD2 PRO 543 HD2 PRO 543 -4.254 4.857 -6.818 248 HD3 PRO 543 HD3 PRO 543 -3.577 4.064 -8.255 249 H PHE 544 HN PHE 544 -2.938 7.507 -5.771 250 HA PHE 544 HA PHE 544 -2.043 10.296 -6.032 251 HB2 PHE 544 HB2 PHE 544 -3.682 9.017 -3.859 252 HB3 PHE 544 HB1 PHE 544 -2.993 10.634 -3.732 253 HD1 PHE 544 HD1 PHE 544 -5.446 8.541 -5.480 254 HD2 PHE 544 HD2 PHE 544 -3.892 12.469 -4.976 255 HE1 PHE 544 HE1 PHE 544 -7.367 9.452 -6.712 256 HE2 PHE 544 HE2 PHE 544 -5.815 13.390 -6.203 257 HZ PHE 544 HZ PHE 544 -7.555 11.880 -7.075 258 H GLY 545 HN GLY 545 -1.142 7.237 -4.795 259 HA2 GLY 545 HA2 GLY 545 1.403 8.408 -3.963 260 HA3 GLY 545 HA1 GLY 545 0.517 7.457 -2.772 261 H LYS 546 HN LYS 546 3.160 7.089 -4.221 262 HA LYS 546 HA LYS 546 2.838 4.830 -5.938 263 HB2 LYS 546 HB2 LYS 546 4.736 6.307 -6.228 264 HB3 LYS 546 HB3 LYS 546 5.278 5.992 -4.586 265 HG2 LYS 546 HG2 LYS 546 6.659 4.755 -6.086 266 HG3 LYS 546 HG3 LYS 546 5.629 3.613 -5.216 267 HD2 LYS 546 HD2 LYS 546 4.132 3.482 -7.137 268 HD3 LYS 546 HD3 LYS 546 5.127 4.656 -8.003 269 HE2 LYS 546 HE2 LYS 546 7.023 3.110 -7.907 270 HE3 LYS 546 HE3 LYS 546 6.021 1.937 -7.053 271 HZ1 LYS 546 HZ1 LYS 546 4.611 1.750 -8.967 272 HZ2 LYS 546 HZ2 LYS 546 6.210 1.484 -9.442 273 HZ3 LYS 546 HZ3 LYS 546 5.463 2.961 -9.781 274 H VAL 547 HN VAL 547 2.948 2.720 -5.494 275 HA VAL 547 HA VAL 547 2.929 1.861 -2.730 276 HB VAL 547 HB VAL 547 2.331 0.388 -5.301 277 HG11 VAL 547 HG11 VAL 547 2.012 -0.554 -2.456 278 HG12 VAL 547 HG12 VAL 547 3.219 -1.129 -3.605 279 HG13 VAL 547 HG13 VAL 547 1.507 -1.427 -3.902 280 HG21 VAL 547 HG21 VAL 547 0.511 1.384 -3.111 281 HG22 VAL 547 HG22 VAL 547 0.013 0.459 -4.528 282 HG23 VAL 547 HG23 VAL 547 0.674 2.082 -4.722 283 H THR 548 HN THR 548 4.485 0.697 -1.803 284 HA THR 548 HA THR 548 6.838 -0.040 -3.397 285 HB THR 548 HB THR 548 7.929 -0.270 -1.132 286 HG1 THR 548 HG1 THR 548 6.703 -0.055 0.578 287 HG21 THR 548 HG21 THR 548 6.744 2.431 -1.766 288 HG22 THR 548 HG22 THR 548 8.216 1.762 -2.474 289 HG23 THR 548 HG23 THR 548 8.152 2.130 -0.748 290 H ASN 549 HN ASN 549 4.438 -1.310 -1.170 291 HA ASN 549 HA ASN 549 5.064 -4.039 -1.931 292 HB2 ASN 549 HB2 ASN 549 5.335 -3.040 0.905 293 HB3 ASN 549 HB3 ASN 549 5.050 -4.733 0.530 294 HD21 ASN 549 HD21 ASN 549 7.342 -2.219 0.740 295 HD22 ASN 549 HD22 ASN 549 8.714 -3.134 0.199 296 H TYR 550 HN TYR 550 3.410 -5.575 -1.037 297 HA TYR 550 HA TYR 550 1.059 -4.315 0.127 298 HB2 TYR 550 HB2 TYR 550 -0.500 -5.141 -1.470 299 HB3 TYR 550 HB3 TYR 550 0.765 -4.350 -2.402 300 HD1 TYR 550 HD1 TYR 550 -1.107 -7.329 -1.926 301 HD2 TYR 550 HD2 TYR 550 2.603 -5.871 -3.411 302 HE1 TYR 550 HE1 TYR 550 -0.819 -9.399 -3.215 303 HE2 TYR 550 HE2 TYR 550 2.899 -7.942 -4.707 304 HH TYR 550 HH TYR 550 0.351 -10.270 -5.074 305 H ILE 551 HN ILE 551 -0.219 -5.742 1.322 306 HA ILE 551 HA ILE 551 0.515 -8.580 1.300 307 HB ILE 551 HB ILE 551 0.280 -6.908 3.811 308 HG12 ILE 551 HG12 ILE 551 2.523 -8.580 2.655 309 HG13 ILE 551 HG13 ILE 551 2.502 -6.832 2.848 310 HG21 ILE 551 HG21 ILE 551 -0.943 -8.983 4.118 311 HG22 ILE 551 HG22 ILE 551 0.551 -9.010 5.055 312 HG23 ILE 551 HG23 ILE 551 0.444 -9.908 3.541 313 HD11 ILE 551 HD11 ILE 551 2.526 -8.859 5.071 314 HD12 ILE 551 HD12 ILE 551 2.489 -7.110 5.279 315 HD13 ILE 551 HD13 ILE 551 3.889 -7.878 4.532 316 H LEU 552 HN LEU 552 -1.217 -9.848 1.234 317 HA LEU 552 HA LEU 552 -3.823 -8.526 1.530 318 HB2 LEU 552 HB2 LEU 552 -2.834 -10.686 -0.305 319 HB3 LEU 552 HB1 LEU 552 -4.549 -10.439 -0.026 320 HG LEU 552 HG LEU 552 -2.730 -8.248 -1.015 321 HD11 LEU 552 HD11 LEU 552 -3.559 -8.704 -3.247 322 HD12 LEU 552 HD12 LEU 552 -4.536 -10.042 -2.644 323 HD13 LEU 552 HD13 LEU 552 -2.776 -10.151 -2.612 324 HD21 LEU 552 HD21 LEU 552 -5.712 -8.616 -0.908 325 HD22 LEU 552 HD22 LEU 552 -4.893 -7.300 -1.757 326 HD23 LEU 552 HD23 LEU 552 -4.741 -7.449 -0.006 327 H MET 553 HN MET 553 -4.725 -9.054 3.402 328 HA MET 553 HA MET 553 -4.405 -11.780 4.409 329 HB2 MET 553 HB2 MET 553 -5.647 -9.322 5.668 330 HB3 MET 553 HB3 MET 553 -5.547 -10.898 6.440 331 HG2 MET 553 HG2 MET 553 -3.183 -9.251 5.569 332 HG3 MET 553 HG3 MET 553 -3.819 -9.330 7.212 333 HE1 MET 553 HE1 MET 553 -0.773 -9.905 6.472 334 HE2 MET 553 HE2 MET 553 -0.460 -11.321 7.475 335 HE3 MET 553 HE3 MET 553 -1.414 -9.983 8.114 336 H LYS 554 HN LYS 554 -5.656 -12.753 2.810 337 HA LYS 554 HA LYS 554 -8.327 -11.990 2.232 338 HB2 LYS 554 HB2 LYS 554 -6.837 -14.578 1.767 339 HB3 LYS 554 HB3 LYS 554 -8.441 -14.237 1.136 340 HG2 LYS 554 HG2 LYS 554 -6.018 -12.555 0.520 341 HG3 LYS 554 HG3 LYS 554 -6.576 -13.892 -0.491 342 HD2 LYS 554 HD2 LYS 554 -8.775 -12.726 -0.682 343 HD3 LYS 554 HD3 LYS 554 -8.069 -11.359 0.181 344 HE2 LYS 554 HE2 LYS 554 -8.032 -11.012 -2.241 345 HE3 LYS 554 HE3 LYS 554 -6.404 -11.088 -1.570 346 HZ1 LYS 554 HZ1 LYS 554 -6.764 -12.364 -3.676 347 HZ2 LYS 554 HZ2 LYS 554 -7.751 -13.425 -2.805 348 HZ3 LYS 554 HZ3 LYS 554 -6.116 -13.265 -2.402 349 H SER 555 HN SER 555 -6.803 -14.009 4.579 350 HA SER 555 HA SER 555 -9.009 -15.487 5.477 351 HB2 SER 555 HB2 SER 555 -7.646 -15.777 7.549 352 HB3 SER 555 HB3 SER 555 -6.753 -16.117 6.066 353 HG SER 555 HG SER 555 -5.439 -14.561 6.536 354 H THR 556 HN THR 556 -7.984 -12.194 6.180 355 HA THR 556 HA THR 556 -10.091 -12.003 8.219 356 HB THR 556 HB THR 556 -8.999 -9.913 8.930 357 HG1 THR 556 HG1 THR 556 -7.374 -9.063 7.819 358 HG21 THR 556 HG21 THR 556 -7.046 -12.206 8.706 359 HG22 THR 556 HG22 THR 556 -8.294 -12.047 9.939 360 HG23 THR 556 HG23 THR 556 -6.970 -10.885 9.871 361 H ASN 557 HN ASN 557 -9.828 -11.678 5.059 362 HA ASN 557 HA ASN 557 -10.802 -10.502 3.375 363 HB2 ASN 557 HB2 ASN 557 -12.689 -9.721 5.599 364 HB3 ASN 557 HB3 ASN 557 -12.988 -9.428 3.886 365 HD21 ASN 557 HD21 ASN 557 -14.514 -11.026 5.791 366 HD22 ASN 557 HD22 ASN 557 -14.582 -12.621 5.128 367 H GLN 558 HN GLN 558 -8.619 -9.269 4.500 368 HA GLN 558 HA GLN 558 -9.315 -6.428 4.285 369 HB2 GLN 558 HB2 GLN 558 -7.667 -7.688 6.487 370 HB3 GLN 558 HB3 GLN 558 -7.755 -5.958 6.189 371 HG2 GLN 558 HG2 GLN 558 -10.254 -7.546 6.660 372 HG3 GLN 558 HG3 GLN 558 -9.250 -7.009 8.016 373 HE21 GLN 558 HE21 GLN 558 -9.076 -4.817 8.459 374 HE22 GLN 558 HE22 GLN 558 -10.189 -3.658 7.817 375 H ALA 559 HN ALA 559 -7.591 -5.103 3.545 376 HA ALA 559 HA ALA 559 -5.260 -6.589 2.535 377 HB1 ALA 559 HB1 ALA 559 -5.379 -5.389 0.435 378 HB2 ALA 559 HB2 ALA 559 -6.808 -4.514 0.990 379 HB3 ALA 559 HB3 ALA 559 -6.889 -6.255 0.724 380 H PHE 560 HN PHE 560 -3.332 -5.506 2.493 381 HA PHE 560 HA PHE 560 -3.316 -2.792 3.623 382 HB2 PHE 560 HB2 PHE 560 -1.420 -5.058 4.281 383 HB3 PHE 560 HB1 PHE 560 -1.263 -3.403 4.860 384 HD1 PHE 560 HD1 PHE 560 -2.901 -6.590 5.315 385 HD2 PHE 560 HD2 PHE 560 -2.955 -2.482 6.423 386 HE1 PHE 560 HE1 PHE 560 -4.335 -7.131 7.239 387 HE2 PHE 560 HE2 PHE 560 -4.387 -3.018 8.350 388 HZ PHE 560 HZ PHE 560 -5.081 -5.346 8.757 389 H LEU 561 HN LEU 561 -2.042 -1.356 2.614 390 HA LEU 561 HA LEU 561 -0.326 -2.338 0.428 391 HB2 LEU 561 HB2 LEU 561 -2.620 -1.423 -0.221 392 HB3 LEU 561 HB1 LEU 561 -2.036 0.137 0.312 393 HG LEU 561 HG LEU 561 -0.265 0.053 -1.399 394 HD11 LEU 561 HD11 LEU 561 0.018 -2.345 -1.572 395 HD12 LEU 561 HD12 LEU 561 -0.395 -1.673 -3.148 396 HD13 LEU 561 HD13 LEU 561 -1.619 -2.518 -2.203 397 HD21 LEU 561 HD21 LEU 561 -1.726 0.376 -3.328 398 HD22 LEU 561 HD22 LEU 561 -2.406 1.130 -1.885 399 HD23 LEU 561 HD23 LEU 561 -3.051 -0.406 -2.464 400 H GLU 562 HN GLU 562 1.623 -1.243 0.155 401 HA GLU 562 HA GLU 562 2.291 0.639 2.327 402 HB2 GLU 562 HB2 GLU 562 3.495 -1.602 2.118 403 HB3 GLU 562 HB3 GLU 562 4.237 -0.942 0.667 404 HG2 GLU 562 HG2 GLU 562 5.221 0.859 1.983 405 HG3 GLU 562 HG3 GLU 562 4.476 0.202 3.442 406 H MET 563 HN MET 563 3.242 2.583 1.880 407 HA MET 563 HA MET 563 3.440 3.285 -0.976 408 HB2 MET 563 HB2 MET 563 2.524 4.935 1.366 409 HB3 MET 563 HB3 MET 563 2.919 5.634 -0.198 410 HG2 MET 563 HG2 MET 563 0.582 5.360 -0.135 411 HG3 MET 563 HG3 MET 563 1.211 4.112 -1.205 412 HE1 MET 563 HE1 MET 563 -1.697 2.081 0.221 413 HE2 MET 563 HE2 MET 563 -0.762 2.522 -1.207 414 HE3 MET 563 HE3 MET 563 -1.688 3.752 -0.343 415 H ALA 564 HN ALA 564 5.088 4.526 -1.694 416 HA ALA 564 HA ALA 564 7.589 4.154 -0.422 417 HB1 ALA 564 HB1 ALA 564 7.303 4.210 -2.857 418 HB2 ALA 564 HB2 ALA 564 8.522 5.361 -2.308 419 HB3 ALA 564 HB3 ALA 564 6.916 5.928 -2.764 420 H TYR 565 HN TYR 565 5.304 6.728 -0.288 421 HA TYR 565 HA TYR 565 7.204 8.260 1.325 422 HB2 TYR 565 HB2 TYR 565 5.400 9.390 -0.822 423 HB3 TYR 565 HB3 TYR 565 6.270 10.367 0.349 424 HD1 TYR 565 HD1 TYR 565 6.413 8.771 -2.831 425 HD2 TYR 565 HD2 TYR 565 8.840 10.160 0.377 426 HE1 TYR 565 HE1 TYR 565 8.365 8.798 -4.326 427 HE2 TYR 565 HE2 TYR 565 10.792 10.193 -1.109 428 HH TYR 565 HH TYR 565 10.544 9.896 -4.489 429 H THR 566 HN THR 566 6.306 9.398 3.034 430 HA THR 566 HA THR 566 3.940 8.305 4.119 431 HB THR 566 HB THR 566 5.602 9.083 5.651 432 HG1 THR 566 HG1 THR 566 4.269 10.737 6.821 433 HG21 THR 566 HG21 THR 566 5.231 11.821 4.439 434 HG22 THR 566 HG22 THR 566 6.672 10.809 4.343 435 HG23 THR 566 HG23 THR 566 6.165 11.479 5.892 436 H GLU 567 HN GLU 567 4.624 11.377 2.480 437 HA GLU 567 HA GLU 567 1.992 12.395 2.748 438 HB2 GLU 567 HB2 GLU 567 2.594 14.023 1.059 439 HB3 GLU 567 HB3 GLU 567 3.903 13.850 2.215 440 HG2 GLU 567 HG2 GLU 567 5.138 12.479 0.642 441 HG3 GLU 567 HG3 GLU 567 3.807 12.578 -0.511 442 H ALA 568 HN ALA 568 3.506 10.241 0.475 443 HA ALA 568 HA ALA 568 1.527 10.272 -1.519 444 HB1 ALA 568 HB1 ALA 568 3.355 8.029 -0.655 445 HB2 ALA 568 HB2 ALA 568 3.691 9.238 -1.894 446 HB3 ALA 568 HB3 ALA 568 2.412 8.052 -2.144 447 H ALA 569 HN ALA 569 1.919 8.296 1.390 448 HA ALA 569 HA ALA 569 -0.427 6.753 1.026 449 HB1 ALA 569 HB1 ALA 569 1.489 6.129 2.485 450 HB2 ALA 569 HB2 ALA 569 -0.081 5.996 3.269 451 HB3 ALA 569 HB3 ALA 569 0.968 7.368 3.625 452 H GLN 570 HN GLN 570 0.255 9.675 2.930 453 HA GLN 570 HA GLN 570 -2.317 9.780 4.114 454 HB2 GLN 570 HB2 GLN 570 -0.178 11.881 3.792 455 HB3 GLN 570 HB3 GLN 570 -1.664 12.140 4.697 456 HG2 GLN 570 HG2 GLN 570 -1.069 10.283 6.184 457 HG3 GLN 570 HG3 GLN 570 0.437 10.067 5.290 458 HE21 GLN 570 HE21 GLN 570 2.087 11.543 5.544 459 HE22 GLN 570 HE22 GLN 570 2.097 12.728 6.802 460 H ALA 571 HN ALA 571 -0.907 11.449 1.304 461 HA ALA 571 HA ALA 571 -3.069 13.188 0.845 462 HB1 ALA 571 HB1 ALA 571 -2.133 13.546 -1.362 463 HB2 ALA 571 HB2 ALA 571 -1.125 12.108 -1.192 464 HB3 ALA 571 HB3 ALA 571 -0.848 13.507 -0.155 465 H MET 572 HN MET 572 -2.412 9.916 -0.355 466 HA MET 572 HA MET 572 -4.614 9.873 -2.139 467 HB2 MET 572 HB2 MET 572 -4.220 7.566 -2.422 468 HB3 MET 572 HB3 MET 572 -2.636 8.263 -2.136 469 HG2 MET 572 HG2 MET 572 -2.579 7.427 0.085 470 HG3 MET 572 HG3 MET 572 -4.274 6.952 0.014 471 HE1 MET 572 HE1 MET 572 -0.849 4.916 -2.284 472 HE2 MET 572 HE2 MET 572 -0.685 6.341 -1.256 473 HE3 MET 572 HE3 MET 572 -1.521 6.462 -2.802 474 H VAL 573 HN VAL 573 -4.183 8.872 1.211 475 HA VAL 573 HA VAL 573 -6.761 7.772 1.506 476 HB VAL 573 HB VAL 573 -4.783 8.746 3.558 477 HG11 VAL 573 HG11 VAL 573 -7.502 7.520 3.870 478 HG12 VAL 573 HG12 VAL 573 -6.831 8.936 4.682 479 HG13 VAL 573 HG13 VAL 573 -6.259 7.322 5.103 480 HG21 VAL 573 HG21 VAL 573 -5.623 6.006 2.611 481 HG22 VAL 573 HG22 VAL 573 -4.490 6.324 3.925 482 HG23 VAL 573 HG23 VAL 573 -4.084 6.806 2.275 483 H GLN 574 HN GLN 574 -5.463 11.016 2.069 484 HA GLN 574 HA GLN 574 -7.746 12.139 3.219 485 HB2 GLN 574 HB2 GLN 574 -5.680 13.350 1.381 486 HB3 GLN 574 HB3 GLN 574 -6.940 14.291 2.161 487 HG2 GLN 574 HG2 GLN 574 -6.085 13.602 4.351 488 HG3 GLN 574 HG3 GLN 574 -4.804 12.693 3.552 489 HE21 GLN 574 HE21 GLN 574 -6.033 15.850 4.312 490 HE22 GLN 574 HE22 GLN 574 -4.591 16.724 3.930 491 H TYR 575 HN TYR 575 -6.919 11.513 -0.142 492 HA TYR 575 HA TYR 575 -9.294 12.613 -1.237 493 HB2 TYR 575 HB2 TYR 575 -7.235 12.121 -2.563 494 HB3 TYR 575 HB3 TYR 575 -7.590 10.405 -2.396 495 HD1 TYR 575 HD1 TYR 575 -8.787 13.578 -3.851 496 HD2 TYR 575 HD2 TYR 575 -9.226 9.348 -3.774 497 HE1 TYR 575 HE1 TYR 575 -10.215 13.693 -5.846 498 HE2 TYR 575 HE2 TYR 575 -10.654 9.454 -5.772 499 HH TYR 575 HH TYR 575 -10.897 12.210 -7.709 500 H TYR 576 HN TYR 576 -8.397 9.292 -0.297 501 HA TYR 576 HA TYR 576 -10.903 8.257 -1.230 502 HB2 TYR 576 HB2 TYR 576 -8.805 6.892 0.451 503 HB3 TYR 576 HB3 TYR 576 -10.131 6.104 -0.400 504 HD1 TYR 576 HD1 TYR 576 -6.865 6.146 -0.580 505 HD2 TYR 576 HD2 TYR 576 -10.112 7.461 -2.988 506 HE1 TYR 576 HE1 TYR 576 -5.440 5.990 -2.567 507 HE2 TYR 576 HE2 TYR 576 -8.699 7.308 -4.989 508 HH TYR 576 HH TYR 576 -5.806 5.687 -5.089 509 H GLN 577 HN GLN 577 -9.869 9.560 1.784 510 HA GLN 577 HA GLN 577 -11.954 8.366 3.326 511 HB2 GLN 577 HB2 GLN 577 -10.137 10.724 3.755 512 HB3 GLN 577 HB3 GLN 577 -11.466 10.401 4.863 513 HG2 GLN 577 HG2 GLN 577 -9.463 8.289 4.190 514 HG3 GLN 577 HG3 GLN 577 -9.104 9.526 5.392 515 HE21 GLN 577 HE21 GLN 577 -9.028 8.142 7.098 516 HE22 GLN 577 HE22 GLN 577 -10.416 7.342 7.737 517 H GLU 578 HN GLU 578 -11.730 11.110 1.206 518 HA GLU 578 HA GLU 578 -14.415 11.984 1.974 519 HB2 GLU 578 HB2 GLU 578 -12.296 13.267 0.252 520 HB3 GLU 578 HB3 GLU 578 -13.925 13.912 0.408 521 HG2 GLU 578 HG2 GLU 578 -13.578 14.194 2.809 522 HG3 GLU 578 HG3 GLU 578 -11.944 13.551 2.645 523 H LYS 579 HN LYS 579 -12.565 10.864 -0.805 524 HA LYS 579 HA LYS 579 -15.099 10.140 -2.124 525 HB2 LYS 579 HB2 LYS 579 -12.648 11.312 -3.458 526 HB3 LYS 579 HB3 LYS 579 -14.069 10.713 -4.299 527 HG2 LYS 579 HG2 LYS 579 -15.434 12.438 -3.240 528 HG3 LYS 579 HG3 LYS 579 -14.017 13.030 -2.375 529 HD2 LYS 579 HD2 LYS 579 -14.407 14.431 -4.293 530 HD3 LYS 579 HD3 LYS 579 -12.938 13.493 -4.560 531 HE2 LYS 579 HE2 LYS 579 -14.199 11.914 -5.936 532 HE3 LYS 579 HE3 LYS 579 -15.669 12.848 -5.665 533 HZ1 LYS 579 HZ1 LYS 579 -14.637 13.346 -7.800 534 HZ2 LYS 579 HZ2 LYS 579 -13.231 13.856 -7.016 535 HZ3 LYS 579 HZ3 LYS 579 -14.671 14.710 -6.802 536 HA PRO 580 HA PRO 580 -12.323 6.527 -1.493 537 HB2 PRO 580 HB2 PRO 580 -14.872 5.118 -1.073 538 HB3 PRO 580 HB3 PRO 580 -13.479 5.273 0.008 539 HG2 PRO 580 HG2 PRO 580 -15.780 6.549 0.540 540 HG3 PRO 580 HG3 PRO 580 -14.208 7.314 0.877 541 HD2 PRO 580 HD2 PRO 580 -16.020 7.705 -1.490 542 HD3 PRO 580 HD3 PRO 580 -15.229 8.926 -0.464 543 H ALA 581 HN ALA 581 -12.169 4.446 -2.618 544 HA ALA 581 HA ALA 581 -12.977 4.865 -5.394 545 HB1 ALA 581 HB1 ALA 581 -10.953 2.928 -4.270 546 HB2 ALA 581 HB2 ALA 581 -10.586 4.547 -4.866 547 HB3 ALA 581 HB3 ALA 581 -11.205 3.321 -5.971 548 H ILE 582 HN ILE 582 -13.855 3.189 -6.679 549 HA ILE 582 HA ILE 582 -15.422 1.273 -5.085 550 HB ILE 582 HB ILE 582 -16.116 2.565 -7.728 551 HG12 ILE 582 HG12 ILE 582 -17.259 2.953 -4.958 552 HG13 ILE 582 HG13 ILE 582 -16.266 4.105 -5.828 553 HG21 ILE 582 HG21 ILE 582 -18.307 1.494 -7.463 554 HG22 ILE 582 HG22 ILE 582 -17.723 0.667 -6.020 555 HG23 ILE 582 HG23 ILE 582 -17.010 0.305 -7.592 556 HD11 ILE 582 HD11 ILE 582 -18.624 4.703 -5.882 557 HD12 ILE 582 HD12 ILE 582 -18.995 3.171 -6.670 558 HD13 ILE 582 HD13 ILE 582 -18.003 4.372 -7.499 559 H ILE 583 HN ILE 583 -15.178 -0.838 -5.469 560 HA ILE 583 HA ILE 583 -14.098 -1.645 -8.093 561 HB ILE 583 HB ILE 583 -13.606 -2.949 -5.415 562 HG12 ILE 583 HG12 ILE 583 -11.766 -1.738 -7.488 563 HG13 ILE 583 HG13 ILE 583 -12.109 -1.097 -5.884 564 HG21 ILE 583 HG21 ILE 583 -14.082 -4.676 -7.059 565 HG22 ILE 583 HG22 ILE 583 -12.368 -4.678 -6.643 566 HG23 ILE 583 HG23 ILE 583 -12.905 -3.969 -8.165 567 HD11 ILE 583 HD11 ILE 583 -10.776 -3.741 -6.404 568 HD12 ILE 583 HD12 ILE 583 -10.982 -2.941 -4.849 569 HD13 ILE 583 HD13 ILE 583 -9.920 -2.238 -6.066 570 H ASN 584 HN ASN 584 -15.572 -2.604 -9.269 571 HA ASN 584 HA ASN 584 -17.365 -3.817 -9.943 572 HB2 ASN 584 HB2 ASN 584 -16.530 -5.508 -7.582 573 HB3 ASN 584 HB3 ASN 584 -17.696 -6.013 -8.800 574 HD21 ASN 584 HD21 ASN 584 -15.185 -7.248 -8.125 575 HD22 ASN 584 HD22 ASN 584 -14.217 -7.218 -9.561 576 H GLY 585 HN GLY 585 -18.059 -1.613 -8.418 577 HA2 GLY 585 HA2 GLY 585 -20.163 -0.812 -7.819 578 HA3 GLY 585 HA1 GLY 585 -20.706 -2.465 -7.598 579 H GLU 586 HN GLU 586 -17.889 -2.314 -5.928 580 HA GLU 586 HA GLU 586 -19.320 -1.718 -3.433 581 HB2 GLU 586 HB2 GLU 586 -16.691 -3.150 -3.876 582 HB3 GLU 586 HB3 GLU 586 -17.476 -2.917 -2.320 583 HG2 GLU 586 HG2 GLU 586 -18.605 -4.480 -4.625 584 HG3 GLU 586 HG3 GLU 586 -17.808 -5.169 -3.213 585 H LYS 587 HN LYS 587 -18.904 0.113 -2.378 586 HA LYS 587 HA LYS 587 -16.723 1.818 -3.203 587 HB2 LYS 587 HB2 LYS 587 -18.867 2.103 -1.097 588 HB3 LYS 587 HB3 LYS 587 -17.598 3.295 -1.326 589 HG2 LYS 587 HG2 LYS 587 -18.371 3.763 -3.560 590 HG3 LYS 587 HG3 LYS 587 -19.564 2.466 -3.452 591 HD2 LYS 587 HD2 LYS 587 -20.729 3.638 -1.684 592 HD3 LYS 587 HD3 LYS 587 -19.489 4.891 -1.658 593 HE2 LYS 587 HE2 LYS 587 -21.185 4.264 -4.065 594 HE3 LYS 587 HE3 LYS 587 -21.597 5.495 -2.874 595 HZ1 LYS 587 HZ1 LYS 587 -20.446 6.385 -4.841 596 HZ2 LYS 587 HZ2 LYS 587 -19.081 5.471 -4.445 597 HZ3 LYS 587 HZ3 LYS 587 -19.608 6.686 -3.405 598 H LEU 588 HN LEU 588 -14.746 1.301 -2.551 599 HA LEU 588 HA LEU 588 -14.332 -0.058 -0.016 600 HB2 LEU 588 HB2 LEU 588 -12.325 0.841 -2.077 601 HB3 LEU 588 HB1 LEU 588 -11.993 -0.179 -0.694 602 HG LEU 588 HG LEU 588 -13.561 -0.874 -3.162 603 HD11 LEU 588 HD11 LEU 588 -11.015 -1.827 -1.884 604 HD12 LEU 588 HD12 LEU 588 -11.225 -1.072 -3.465 605 HD13 LEU 588 HD13 LEU 588 -11.835 -2.702 -3.176 606 HD21 LEU 588 HD21 LEU 588 -14.765 -1.784 -1.257 607 HD22 LEU 588 HD22 LEU 588 -13.270 -2.463 -0.612 608 HD23 LEU 588 HD23 LEU 588 -13.935 -3.073 -2.128 609 H LEU 589 HN LEU 589 -13.734 0.941 1.786 610 HA LEU 589 HA LEU 589 -13.002 3.742 1.654 611 HB2 LEU 589 HB2 LEU 589 -14.537 2.921 3.415 612 HB3 LEU 589 HB1 LEU 589 -13.256 1.900 4.036 613 HG LEU 589 HG LEU 589 -11.934 3.898 4.602 614 HD11 LEU 589 HD11 LEU 589 -12.759 5.416 2.894 615 HD12 LEU 589 HD12 LEU 589 -12.982 6.112 4.498 616 HD13 LEU 589 HD13 LEU 589 -14.357 5.417 3.639 617 HD21 LEU 589 HD21 LEU 589 -14.747 3.920 5.689 618 HD22 LEU 589 HD22 LEU 589 -13.339 4.660 6.451 619 HD23 LEU 589 HD23 LEU 589 -13.420 2.908 6.258 620 H ILE 590 HN ILE 590 -10.995 4.104 1.025 621 HA ILE 590 HA ILE 590 -8.832 2.357 1.950 622 HB ILE 590 HB ILE 590 -8.675 4.714 0.058 623 HG12 ILE 590 HG12 ILE 590 -8.893 1.781 -0.622 624 HG13 ILE 590 HG13 ILE 590 -10.122 3.004 -0.892 625 HG21 ILE 590 HG21 ILE 590 -6.735 2.487 0.646 626 HG22 ILE 590 HG22 ILE 590 -6.551 4.191 1.062 627 HG23 ILE 590 HG23 ILE 590 -6.537 3.689 -0.629 628 HD11 ILE 590 HD11 ILE 590 -8.612 4.165 -2.450 629 HD12 ILE 590 HD12 ILE 590 -8.972 2.515 -2.956 630 HD13 ILE 590 HD13 ILE 590 -7.418 2.888 -2.211 631 H ARG 591 HN ARG 591 -7.861 2.916 3.816 632 HA ARG 591 HA ARG 591 -7.396 5.729 4.365 633 HB2 ARG 591 HB2 ARG 591 -8.379 5.622 6.629 634 HB3 ARG 591 HB3 ARG 591 -9.566 5.487 5.344 635 HG2 ARG 591 HG2 ARG 591 -9.937 3.228 5.762 636 HG3 ARG 591 HG3 ARG 591 -8.437 3.059 6.680 637 HD2 ARG 591 HD2 ARG 591 -10.432 3.073 8.124 638 HD3 ARG 591 HD3 ARG 591 -9.335 4.403 8.474 639 HE ARG 591 HE ARG 591 -11.249 5.330 6.666 640 HH11 ARG 591 HH11 ARG 591 -11.068 4.166 9.956 641 HH12 ARG 591 HH12 ARG 591 -12.438 5.079 10.499 642 HH21 ARG 591 HH21 ARG 591 -13.064 6.554 7.373 643 HH22 ARG 591 HH22 ARG 591 -13.569 6.446 9.029 644 H MET 592 HN MET 592 -6.228 6.049 6.482 645 HA MET 592 HA MET 592 -3.751 4.755 6.186 646 HB2 MET 592 HB2 MET 592 -4.743 6.357 8.559 647 HB3 MET 592 HB3 MET 592 -3.068 6.034 8.154 648 HG2 MET 592 HG2 MET 592 -4.642 7.413 6.068 649 HG3 MET 592 HG3 MET 592 -4.364 8.310 7.558 650 HE1 MET 592 HE1 MET 592 -0.863 6.598 5.063 651 HE2 MET 592 HE2 MET 592 -2.551 6.345 4.626 652 HE3 MET 592 HE3 MET 592 -1.899 5.606 6.088 653 H SER 593 HN SER 593 -2.858 3.009 7.191 654 HA SER 593 HA SER 593 -4.604 1.443 8.899 655 HB2 SER 593 HB2 SER 593 -3.316 0.355 7.061 656 HB3 SER 593 HB3 SER 593 -1.826 0.770 7.907 657 HG SER 593 HG SER 593 -3.921 -0.817 8.992 658 H THR 594 HN THR 594 -4.507 1.454 11.025 659 HA THR 594 HA THR 594 -2.172 2.619 12.341 660 HB THR 594 HB THR 594 -3.636 2.575 14.381 661 HG1 THR 594 HG1 THR 594 -5.789 2.036 14.139 662 HG21 THR 594 HG21 THR 594 -5.059 4.433 13.661 663 HG22 THR 594 HG22 THR 594 -4.775 4.005 11.975 664 HG23 THR 594 HG23 THR 594 -3.442 4.580 12.974 665 H ARG 595 HN ARG 595 -3.353 -0.320 11.400 666 HA ARG 595 HA ARG 595 -2.449 -1.842 13.696 667 HB2 ARG 595 HB2 ARG 595 -3.595 -2.704 11.036 668 HB3 ARG 595 HB3 ARG 595 -3.143 -3.814 12.323 669 HG2 ARG 595 HG2 ARG 595 -5.251 -1.669 12.499 670 HG3 ARG 595 HG3 ARG 595 -5.538 -3.402 12.316 671 HD2 ARG 595 HD2 ARG 595 -4.449 -3.809 14.463 672 HD3 ARG 595 HD3 ARG 595 -4.146 -2.083 14.643 673 HE ARG 595 HE ARG 595 -6.920 -2.783 14.288 674 HH11 ARG 595 HH11 ARG 595 -4.324 -2.257 16.561 675 HH12 ARG 595 HH12 ARG 595 -5.379 -1.950 17.902 676 HH21 ARG 595 HH21 ARG 595 -8.329 -2.385 16.054 677 HH22 ARG 595 HH22 ARG 595 -7.663 -2.039 17.617 678 H TYR 596 HN TYR 596 -1.459 -1.253 10.347 679 HA TYR 596 HA TYR 596 1.095 -2.574 10.996 680 HB2 TYR 596 HB2 TYR 596 -0.335 -2.360 8.342 681 HB3 TYR 596 HB3 TYR 596 1.341 -2.870 8.493 682 HD1 TYR 596 HD1 TYR 596 1.647 -5.121 8.277 683 HD2 TYR 596 HD2 TYR 596 -1.906 -3.752 10.170 684 HE1 TYR 596 HE1 TYR 596 0.933 -7.449 8.609 685 HE2 TYR 596 HE2 TYR 596 -2.629 -6.076 10.509 686 HH TYR 596 HH TYR 596 -2.244 -8.274 9.656 687 H LYS 597 HN LYS 597 2.883 -1.412 10.872 688 HA LYS 597 HA LYS 597 2.736 1.346 9.951 689 HB2 LYS 597 HB2 LYS 597 4.841 -0.206 11.453 690 HB3 LYS 597 HB3 LYS 597 5.095 1.437 10.881 691 HG2 LYS 597 HG2 LYS 597 2.918 0.585 12.779 692 HG3 LYS 597 HG3 LYS 597 4.441 1.349 13.245 693 HD2 LYS 597 HD2 LYS 597 3.845 3.297 11.845 694 HD3 LYS 597 HD3 LYS 597 2.294 2.537 11.492 695 HE2 LYS 597 HE2 LYS 597 1.684 2.605 13.826 696 HE3 LYS 597 HE3 LYS 597 3.270 3.243 14.255 697 HZ1 LYS 597 HZ1 LYS 597 2.786 5.233 12.997 698 HZ2 LYS 597 HZ2 LYS 597 1.582 4.978 14.158 699 HZ3 LYS 597 HZ3 LYS 597 1.278 4.619 12.535 700 H GLU 598 HN GLU 598 4.222 -1.698 9.147 701 HA GLU 598 HA GLU 598 5.055 -0.667 6.548 702 HB2 GLU 598 HB2 GLU 598 7.332 -1.651 6.835 703 HB3 GLU 598 HB3 GLU 598 7.035 -0.274 7.888 704 HG2 GLU 598 HG2 GLU 598 6.879 -1.596 9.789 705 HG3 GLU 598 HG3 GLU 598 6.579 -3.063 8.861 706 H LEU 599 HN LEU 599 5.106 -2.238 4.987 707 HA LEU 599 HA LEU 599 4.255 -4.925 5.767 708 HB2 LEU 599 HB2 LEU 599 4.500 -3.679 3.030 709 HB3 LEU 599 HB1 LEU 599 3.882 -5.284 3.362 710 HG LEU 599 HG LEU 599 2.595 -2.693 4.232 711 HD11 LEU 599 HD11 LEU 599 2.441 -3.148 1.820 712 HD12 LEU 599 HD12 LEU 599 0.878 -3.252 2.631 713 HD13 LEU 599 HD13 LEU 599 1.742 -4.724 2.186 714 HD21 LEU 599 HD21 LEU 599 2.200 -4.528 5.818 715 HD22 LEU 599 HD22 LEU 599 1.616 -5.526 4.482 716 HD23 LEU 599 HD23 LEU 599 0.737 -4.071 4.942 717 H GLN 600 HN GLN 600 6.525 -3.429 3.540 718 HA GLN 600 HA GLN 600 8.416 -4.203 2.518 719 HB2 GLN 600 HB2 GLN 600 9.095 -4.847 5.390 720 HB3 GLN 600 HB3 GLN 600 10.253 -4.654 4.082 721 HG2 GLN 600 HG2 GLN 600 9.241 -2.302 3.824 722 HG3 GLN 600 HG3 GLN 600 8.577 -2.581 5.433 723 HE21 GLN 600 HE21 GLN 600 9.996 -2.790 7.194 724 HE22 GLN 600 HE22 GLN 600 11.627 -2.232 7.102 725 H LEU 601 HN LEU 601 7.633 -5.954 1.292 726 HA LEU 601 HA LEU 601 7.269 -8.550 2.323 727 HB2 LEU 601 HB2 LEU 601 7.933 -7.723 -0.503 728 HB3 LEU 601 HB1 LEU 601 7.328 -9.296 -0.018 729 HG LEU 601 HG LEU 601 5.862 -6.667 0.100 730 HD11 LEU 601 HD11 LEU 601 5.942 -7.700 -2.098 731 HD12 LEU 601 HD12 LEU 601 4.312 -7.773 -1.427 732 HD13 LEU 601 HD13 LEU 601 5.334 -9.211 -1.422 733 HD21 LEU 601 HD21 LEU 601 5.344 -7.933 2.102 734 HD22 LEU 601 HD22 LEU 601 5.004 -9.366 1.131 735 HD23 LEU 601 HD23 LEU 601 3.969 -7.943 0.997 736 H LYS 602 HN LYS 602 8.569 -10.417 2.112 737 HA LYS 602 HA LYS 602 10.461 -11.516 2.714 738 HB2 LYS 602 HB2 LYS 602 11.722 -9.501 0.840 739 HB3 LYS 602 HB3 LYS 602 12.594 -10.851 1.553 740 HG2 LYS 602 HG2 LYS 602 10.212 -11.066 -0.278 741 HG3 LYS 602 HG3 LYS 602 11.897 -11.333 -0.733 742 HD2 LYS 602 HD2 LYS 602 12.003 -13.155 0.949 743 HD3 LYS 602 HD3 LYS 602 10.280 -12.930 1.251 744 HE2 LYS 602 HE2 LYS 602 10.591 -14.773 -0.269 745 HE3 LYS 602 HE3 LYS 602 9.836 -13.431 -1.125 746 HZ1 LYS 602 HZ1 LYS 602 11.601 -14.469 -2.420 747 HZ2 LYS 602 HZ2 LYS 602 12.727 -14.106 -1.211 748 HZ3 LYS 602 HZ3 LYS 602 11.973 -12.859 -2.068 749 H LYS 603 HN LYS 603 9.655 -10.193 4.684 750 HA LYS 603 HA LYS 603 10.849 -7.838 5.508 751 HB2 LYS 603 HB2 LYS 603 9.784 -10.045 7.271 752 HB3 LYS 603 HB3 LYS 603 10.063 -8.383 7.761 753 HG2 LYS 603 HG2 LYS 603 8.430 -7.787 5.854 754 HG3 LYS 603 HG3 LYS 603 7.960 -9.483 5.947 755 HD2 LYS 603 HD2 LYS 603 6.478 -8.156 7.318 756 HD3 LYS 603 HD3 LYS 603 7.476 -9.180 8.353 757 HE2 LYS 603 HE2 LYS 603 7.202 -6.819 9.151 758 HE3 LYS 603 HE3 LYS 603 8.871 -7.345 8.957 759 HZ1 LYS 603 HZ1 LYS 603 8.394 -5.080 8.077 760 HZ2 LYS 603 HZ2 LYS 603 7.392 -5.793 6.903 761 HZ3 LYS 603 HZ3 LYS 603 9.045 -6.144 6.933 762 HA PRO 604 HA PRO 604 14.906 -9.356 6.571 763 HB2 PRO 604 HB2 PRO 604 16.009 -6.932 6.967 764 HB3 PRO 604 HB3 PRO 604 15.697 -7.572 5.349 765 HG2 PRO 604 HG2 PRO 604 14.126 -5.586 6.940 766 HG3 PRO 604 HG3 PRO 604 14.510 -5.585 5.208 767 HD2 PRO 604 HD2 PRO 604 12.108 -6.398 6.250 768 HD3 PRO 604 HD3 PRO 604 12.762 -6.969 4.703 769 H GLY 605 HN GLY 605 14.283 -10.329 8.530 770 HA2 GLY 605 HA2 GLY 605 13.632 -8.858 10.872 771 HA3 GLY 605 HA1 GLY 605 14.087 -10.554 10.810 772 H LYS 606 HN LYS 606 15.317 -7.270 10.881 773 HA LYS 606 HA LYS 606 17.200 -6.329 11.717 774 HB2 LYS 606 HB2 LYS 606 17.380 -8.942 13.225 775 HB3 LYS 606 HB3 LYS 606 18.428 -7.562 13.519 776 HG2 LYS 606 HG2 LYS 606 15.430 -7.539 13.802 777 HG3 LYS 606 HG3 LYS 606 16.573 -7.737 15.129 778 HD2 LYS 606 HD2 LYS 606 17.557 -5.529 14.523 779 HD3 LYS 606 HD3 LYS 606 16.267 -5.333 13.336 780 HE2 LYS 606 HE2 LYS 606 14.604 -5.525 15.135 781 HE3 LYS 606 HE3 LYS 606 15.907 -5.683 16.310 782 HZ1 LYS 606 HZ1 LYS 606 16.667 -3.477 15.732 783 HZ2 LYS 606 HZ2 LYS 606 15.044 -3.425 16.203 784 HZ3 LYS 606 HZ3 LYS 606 15.452 -3.326 14.568 785 H ASN 607 HN ASN 607 17.279 -7.839 9.244 786 HA ASN 607 HA ASN 607 20.154 -8.024 8.995 787 HB2 ASN 607 HB2 ASN 607 19.541 -10.313 9.653 788 HB3 ASN 607 HB3 ASN 607 18.402 -10.394 8.313 789 HD21 ASN 607 HD21 ASN 607 21.758 -10.354 9.223 790 HD22 ASN 607 HD22 ASN 607 22.385 -10.886 7.698 791 H VAL 608 HN VAL 608 20.135 -6.383 7.530 792 HA VAL 608 HA VAL 608 18.955 -7.087 4.915 793 HB VAL 608 HB VAL 608 19.628 -4.269 5.785 794 HG11 VAL 608 HG11 VAL 608 17.996 -5.333 3.485 795 HG12 VAL 608 HG12 VAL 608 19.626 -4.665 3.383 796 HG13 VAL 608 HG13 VAL 608 18.277 -3.632 3.854 797 HG21 VAL 608 HG21 VAL 608 17.267 -3.861 6.129 798 HG22 VAL 608 HG22 VAL 608 17.820 -5.146 7.204 799 HG23 VAL 608 HG23 VAL 608 16.898 -5.543 5.754 800 H ALA 609 HN ALA 609 21.234 -4.615 5.874 801 HA ALA 609 HA ALA 609 23.549 -6.081 4.972 802 HB1 ALA 609 HB1 ALA 609 24.168 -4.180 3.445 803 HB2 ALA 609 HB2 ALA 609 22.514 -3.589 3.642 804 HB3 ALA 609 HB3 ALA 609 22.806 -5.156 2.890 805 H ALA 610 HN ALA 610 22.320 -2.853 5.667 806 HA ALA 610 HA ALA 610 23.655 -2.726 8.208 807 HB1 ALA 610 HB1 ALA 610 24.893 -0.677 7.741 808 HB2 ALA 610 HB2 ALA 610 24.382 -0.736 6.055 809 HB3 ALA 610 HB3 ALA 610 25.452 -1.982 6.695 810 H ILE 611 HN ILE 611 21.853 -2.211 9.314 811 HA ILE 611 HA ILE 611 19.629 -0.939 8.132 812 HB ILE 611 HB ILE 611 20.221 -1.421 11.056 813 HG12 ILE 611 HG12 ILE 611 18.519 -2.930 9.057 814 HG13 ILE 611 HG13 ILE 611 20.066 -3.465 9.701 815 HG21 ILE 611 HG21 ILE 611 17.816 -1.076 11.416 816 HG22 ILE 611 HG22 ILE 611 17.634 -0.628 9.720 817 HG23 ILE 611 HG23 ILE 611 18.598 0.380 10.799 818 HD11 ILE 611 HD11 ILE 611 19.082 -3.591 11.934 819 HD12 ILE 611 HD12 ILE 611 18.230 -4.614 10.778 820 HD13 ILE 611 HD13 ILE 611 17.532 -3.072 11.274 821 H ILE 612 HN ILE 612 19.826 1.040 7.393 822 HA ILE 612 HA ILE 612 20.763 3.141 9.233 823 HB ILE 612 HB ILE 612 20.865 3.144 6.218 824 HG12 ILE 612 HG12 ILE 612 23.129 2.863 8.208 825 HG13 ILE 612 HG13 ILE 612 22.476 1.556 7.227 826 HG21 ILE 612 HG21 ILE 612 20.591 5.372 7.158 827 HG22 ILE 612 HG22 ILE 612 22.218 5.184 6.504 828 HG23 ILE 612 HG23 ILE 612 21.952 5.100 8.245 829 HD11 ILE 612 HD11 ILE 612 24.552 2.428 6.307 830 HD12 ILE 612 HD12 ILE 612 23.828 4.030 6.177 831 HD13 ILE 612 HD13 ILE 612 23.201 2.697 5.208 832 H GLN 613 HN GLN 613 18.678 3.469 10.061 833 HA GLN 613 HA GLN 613 16.507 4.085 8.245 834 HB2 GLN 613 HB2 GLN 613 16.658 4.125 11.264 835 HB3 GLN 613 HB3 GLN 613 15.197 4.431 10.334 836 HG2 GLN 613 HG2 GLN 613 15.294 2.179 9.415 837 HG3 GLN 613 HG3 GLN 613 16.780 1.869 10.312 838 HE21 GLN 613 HE21 GLN 613 14.229 0.477 10.441 839 HE22 GLN 613 HE22 GLN 613 13.697 0.592 12.080 840 H ASP 614 HN ASP 614 18.981 5.739 9.904 841 HA ASP 614 HA ASP 614 17.788 8.279 10.198 842 HB2 ASP 614 HB2 ASP 614 20.670 7.436 9.889 843 HB3 ASP 614 HB3 ASP 614 20.190 9.108 10.156 844 H ILE 615 HN ILE 615 19.431 6.716 7.516 845 HA ILE 615 HA ILE 615 18.965 9.063 5.833 846 HB ILE 615 HB ILE 615 20.366 6.468 5.149 847 HG12 ILE 615 HG12 ILE 615 21.501 9.205 5.772 848 HG13 ILE 615 HG13 ILE 615 21.581 7.802 6.830 849 HG21 ILE 615 HG21 ILE 615 21.151 7.674 3.155 850 HG22 ILE 615 HG22 ILE 615 20.157 9.057 3.613 851 HG23 ILE 615 HG23 ILE 615 19.393 7.525 3.189 852 HD11 ILE 615 HD11 ILE 615 22.945 6.637 5.172 853 HD12 ILE 615 HD12 ILE 615 23.685 8.155 5.681 854 HD13 ILE 615 HD13 ILE 615 22.867 8.051 4.123 855 H HIS 616 HN HIS 616 17.113 9.205 4.800 856 HA HIS 616 HA HIS 616 15.296 6.964 4.760 857 HB2 HIS 616 HB2 HIS 616 15.063 9.846 3.923 858 HB3 HIS 616 HB3 HIS 616 13.769 8.685 3.641 859 HD1 HIS 616 HD1 HIS 616 12.100 8.552 5.443 860 HD2 HIS 616 HD2 HIS 616 15.754 9.964 6.835 861 HE1 HIS 616 HE1 HIS 616 11.732 9.103 7.869 862 HE2 HIS 616 HE2 HIS 616 13.905 10.119 8.638 863 H SER 617 HN SER 617 17.175 8.808 2.464 864 HA SER 617 HA SER 617 16.055 7.406 0.191 865 HB2 SER 617 HB2 SER 617 18.321 9.408 0.371 866 HB3 SER 617 HB3 SER 617 17.589 8.815 -1.118 867 HG SER 617 HG SER 617 16.183 10.193 0.933 868 H GLN 618 HN GLN 618 18.001 6.822 -1.462 869 HA GLN 618 HA GLN 618 19.664 5.414 -2.044 870 HB2 GLN 618 HB2 GLN 618 20.585 6.089 0.737 871 HB3 GLN 618 HB3 GLN 618 21.531 5.091 -0.361 872 HG2 GLN 618 HG2 GLN 618 21.652 6.936 -1.945 873 HG3 GLN 618 HG3 GLN 618 20.649 7.927 -0.885 874 HE21 GLN 618 HE21 GLN 618 23.786 6.563 -1.410 875 HE22 GLN 618 HE22 GLN 618 24.611 7.470 -0.192 876 H ARG 619 HN ARG 619 20.903 3.360 -1.167 877 HA ARG 619 HA ARG 619 18.953 1.645 0.214 878 HB2 ARG 619 HB2 ARG 619 20.718 1.022 -2.149 879 HB3 ARG 619 HB3 ARG 619 19.974 -0.232 -1.170 880 HG2 ARG 619 HG2 ARG 619 17.760 0.679 -1.735 881 HG3 ARG 619 HG3 ARG 619 18.544 1.877 -2.767 882 HD2 ARG 619 HD2 ARG 619 17.692 -0.120 -3.996 883 HD3 ARG 619 HD3 ARG 619 19.421 0.167 -4.198 884 HE ARG 619 HE ARG 619 18.812 -1.643 -2.053 885 HH11 ARG 619 HH11 ARG 619 19.283 -1.396 -5.506 886 HH12 ARG 619 HH12 ARG 619 19.812 -3.038 -5.684 887 HH21 ARG 619 HH21 ARG 619 19.516 -3.805 -2.271 888 HH22 ARG 619 HH22 ARG 619 19.944 -4.414 -3.839 889 H GLU 620 HN GLU 620 19.783 0.111 1.622 890 HA GLU 620 HA GLU 620 22.295 0.800 2.827 891 HB2 GLU 620 HB2 GLU 620 20.543 -1.580 3.454 892 HB3 GLU 620 HB3 GLU 620 21.721 -0.810 4.511 893 HG2 GLU 620 HG2 GLU 620 20.359 1.140 4.719 894 HG3 GLU 620 HG3 GLU 620 19.235 0.543 3.499 895 H ARG 621 HN ARG 621 24.213 -0.023 2.277 896 HA ARG 621 HA ARG 621 24.264 -2.595 0.852 897 HB2 ARG 621 HB2 ARG 621 26.034 -0.188 0.396 898 HB3 ARG 621 HB3 ARG 621 26.254 -1.753 -0.370 899 HG2 ARG 621 HG2 ARG 621 23.916 0.114 -0.716 900 HG3 ARG 621 HG3 ARG 621 25.170 -0.254 -1.903 901 HD2 ARG 621 HD2 ARG 621 23.116 -2.168 -0.796 902 HD3 ARG 621 HD3 ARG 621 23.148 -1.487 -2.420 903 HE ARG 621 HE ARG 621 25.506 -2.718 -2.346 904 HH11 ARG 621 HH11 ARG 621 22.341 -3.836 -1.337 905 HH12 ARG 621 HH12 ARG 621 22.689 -5.502 -1.676 906 HH21 ARG 621 HH21 ARG 621 25.959 -4.905 -2.776 907 HH22 ARG 621 HH22 ARG 621 24.740 -6.109 -2.484 Start of MODEL 7 1 H1 GLY 510 HT1 GLY 510 19.453 -4.298 2.893 2 H2 GLY 510 HT2 GLY 510 19.293 -4.080 1.224 3 H3 GLY 510 HT3 GLY 510 19.776 -5.581 1.842 4 HA2 GLY 510 HA1 GLY 510 17.497 -5.751 1.207 5 HA3 GLY 510 HA2 GLY 510 17.621 -5.814 2.959 6 H ALA 511 HN ALA 511 17.533 -3.209 0.517 7 HA ALA 511 HA ALA 511 15.091 -2.186 1.739 8 HB1 ALA 511 HB1 ALA 511 15.966 0.063 2.013 9 HB2 ALA 511 HB2 ALA 511 17.553 -0.467 1.457 10 HB3 ALA 511 HB3 ALA 511 16.901 -1.082 2.976 11 H MET 512 HN MET 512 14.034 -2.654 -0.169 12 HA MET 512 HA MET 512 14.920 -1.223 -2.580 13 HB2 MET 512 HB2 MET 512 12.914 -3.446 -2.178 14 HB3 MET 512 HB3 MET 512 13.098 -2.586 -3.700 15 HG2 MET 512 HG2 MET 512 15.227 -4.196 -2.315 16 HG3 MET 512 HG3 MET 512 14.289 -4.703 -3.717 17 HE1 MET 512 HE1 MET 512 16.341 -5.229 -5.234 18 HE2 MET 512 HE2 MET 512 17.354 -4.930 -3.822 19 HE3 MET 512 HE3 MET 512 17.752 -4.179 -5.366 20 H ALA 513 HN ALA 513 12.681 -1.156 -0.043 21 HA ALA 513 HA ALA 513 11.072 0.896 -1.406 22 HB1 ALA 513 HB1 ALA 513 9.753 -1.110 -1.382 23 HB2 ALA 513 HB2 ALA 513 9.107 -0.004 -0.167 24 HB3 ALA 513 HB3 ALA 513 10.102 -1.371 0.326 25 H GLN 514 HN GLN 514 9.501 1.756 0.553 26 HA GLN 514 HA GLN 514 9.338 3.010 2.449 27 HB2 GLN 514 HB2 GLN 514 11.484 1.151 3.498 28 HB3 GLN 514 HB3 GLN 514 10.390 2.139 4.463 29 HG2 GLN 514 HG2 GLN 514 8.531 0.825 3.901 30 HG3 GLN 514 HG3 GLN 514 9.375 0.052 2.562 31 HE21 GLN 514 HE21 GLN 514 7.978 -1.217 4.702 32 HE22 GLN 514 HE22 GLN 514 9.139 -2.174 5.571 33 H ARG 515 HN ARG 515 10.958 4.039 0.467 34 HA ARG 515 HA ARG 515 13.603 4.606 1.053 35 HB2 ARG 515 HB2 ARG 515 11.634 6.279 -0.508 36 HB3 ARG 515 HB3 ARG 515 13.382 6.464 -0.559 37 HG2 ARG 515 HG2 ARG 515 11.923 3.953 -1.339 38 HG3 ARG 515 HG3 ARG 515 12.437 5.205 -2.473 39 HD2 ARG 515 HD2 ARG 515 14.750 4.842 -1.899 40 HD3 ARG 515 HD3 ARG 515 14.297 3.707 -0.628 41 HE ARG 515 HE ARG 515 13.230 2.702 -2.968 42 HH11 ARG 515 HH11 ARG 515 16.439 3.532 -1.825 43 HH12 ARG 515 HH12 ARG 515 17.217 2.251 -2.693 44 HH21 ARG 515 HH21 ARG 515 14.261 1.038 -4.146 45 HH22 ARG 515 HH22 ARG 515 15.982 0.837 -4.018 46 H LYS 516 HN LYS 516 10.722 6.519 1.863 47 HA LYS 516 HA LYS 516 12.282 8.639 2.989 48 HB2 LYS 516 HB2 LYS 516 9.326 8.051 3.042 49 HB3 LYS 516 HB3 LYS 516 10.040 9.474 3.788 50 HG2 LYS 516 HG2 LYS 516 10.256 8.767 0.872 51 HG3 LYS 516 HG3 LYS 516 9.103 9.911 1.556 52 HD2 LYS 516 HD2 LYS 516 10.958 11.297 2.363 53 HD3 LYS 516 HD3 LYS 516 12.111 10.149 1.679 54 HE2 LYS 516 HE2 LYS 516 11.246 10.584 -0.552 55 HE3 LYS 516 HE3 LYS 516 10.053 11.696 0.113 56 HZ1 LYS 516 HZ1 LYS 516 11.806 13.156 0.818 57 HZ2 LYS 516 HZ2 LYS 516 12.006 12.821 -0.826 58 HZ3 LYS 516 HZ3 LYS 516 12.993 12.061 0.316 59 H GLY 517 HN GLY 517 11.441 5.606 4.159 60 HA2 GLY 517 HA2 GLY 517 11.762 4.655 6.234 61 HA3 GLY 517 HA1 GLY 517 12.408 6.194 6.780 62 H ALA 518 HN ALA 518 9.935 7.571 5.955 63 HA ALA 518 HA ALA 518 8.353 6.987 8.340 64 HB1 ALA 518 HB1 ALA 518 9.146 9.277 8.000 65 HB2 ALA 518 HB2 ALA 518 7.384 9.194 7.973 66 HB3 ALA 518 HB3 ALA 518 8.284 9.336 6.463 67 H GLY 519 HN GLY 519 8.385 6.211 5.154 68 HA2 GLY 519 HA2 GLY 519 5.865 6.467 4.105 69 HA3 GLY 519 HA1 GLY 519 6.877 5.054 3.847 70 H ARG 520 HN ARG 520 3.890 5.603 4.426 71 HA ARG 520 HA ARG 520 3.627 3.860 6.779 72 HB2 ARG 520 HB2 ARG 520 1.825 6.059 5.767 73 HB3 ARG 520 HB3 ARG 520 1.336 4.905 6.999 74 HG2 ARG 520 HG2 ARG 520 3.251 5.665 8.388 75 HG3 ARG 520 HG3 ARG 520 3.569 6.912 7.179 76 HD2 ARG 520 HD2 ARG 520 2.256 7.792 9.042 77 HD3 ARG 520 HD3 ARG 520 1.339 7.837 7.536 78 HE ARG 520 HE ARG 520 0.831 5.440 8.980 79 HH11 ARG 520 HH11 ARG 520 0.085 8.855 8.956 80 HH12 ARG 520 HH12 ARG 520 -1.466 8.655 9.705 81 HH21 ARG 520 HH21 ARG 520 -1.209 5.163 9.981 82 HH22 ARG 520 HH22 ARG 520 -2.202 6.553 10.299 83 H VAL 521 HN VAL 521 1.682 2.548 6.838 84 HA VAL 521 HA VAL 521 1.099 1.399 4.214 85 HB VAL 521 HB VAL 521 0.628 0.315 7.001 86 HG11 VAL 521 HG11 VAL 521 -0.056 -1.768 5.918 87 HG12 VAL 521 HG12 VAL 521 0.079 -0.997 4.338 88 HG13 VAL 521 HG13 VAL 521 -1.137 -0.442 5.489 89 HG21 VAL 521 HG21 VAL 521 2.568 -0.445 4.826 90 HG22 VAL 521 HG22 VAL 521 2.290 -1.390 6.288 91 HG23 VAL 521 HG23 VAL 521 2.949 0.242 6.406 92 H VAL 522 HN VAL 522 -0.842 1.514 3.315 93 HA VAL 522 HA VAL 522 -3.046 2.733 4.827 94 HB VAL 522 HB VAL 522 -2.723 2.259 1.850 95 HG11 VAL 522 HG11 VAL 522 -4.744 3.579 1.586 96 HG12 VAL 522 HG12 VAL 522 -4.938 3.633 3.339 97 HG13 VAL 522 HG13 VAL 522 -5.044 2.093 2.484 98 HG21 VAL 522 HG21 VAL 522 -2.533 4.657 1.667 99 HG22 VAL 522 HG22 VAL 522 -1.298 4.045 2.768 100 HG23 VAL 522 HG23 VAL 522 -2.742 4.830 3.407 101 H HIS 523 HN HIS 523 -4.851 1.552 5.309 102 HA HIS 523 HA HIS 523 -4.801 -1.238 4.399 103 HB2 HIS 523 HB2 HIS 523 -5.521 -1.963 6.436 104 HB3 HIS 523 HB3 HIS 523 -4.745 -0.482 6.968 105 HD1 HIS 523 HD1 HIS 523 -6.225 1.260 8.103 106 HD2 HIS 523 HD2 HIS 523 -8.373 -1.863 6.385 107 HE1 HIS 523 HE1 HIS 523 -8.568 1.487 8.976 108 HE2 HIS 523 HE2 HIS 523 -9.791 -0.529 8.090 109 H ILE 524 HN ILE 524 -6.380 -1.970 3.184 110 HA ILE 524 HA ILE 524 -8.648 -0.175 2.681 111 HB ILE 524 HB ILE 524 -7.435 -2.294 0.905 112 HG12 ILE 524 HG12 ILE 524 -7.553 0.718 0.667 113 HG13 ILE 524 HG13 ILE 524 -6.130 -0.212 1.119 114 HG21 ILE 524 HG21 ILE 524 -9.026 -1.471 -0.802 115 HG22 ILE 524 HG22 ILE 524 -9.810 -0.495 0.441 116 HG23 ILE 524 HG23 ILE 524 -9.821 -2.255 0.563 117 HD11 ILE 524 HD11 ILE 524 -6.129 0.557 -1.223 118 HD12 ILE 524 HD12 ILE 524 -7.550 -0.446 -1.519 119 HD13 ILE 524 HD13 ILE 524 -6.023 -1.193 -1.055 120 H CYS 525 HN CYS 525 -10.641 -0.821 3.111 121 HA CYS 525 HA CYS 525 -10.984 -3.584 4.052 122 HB2 CYS 525 HB2 CYS 525 -12.638 -2.585 5.685 123 HB3 CYS 525 HB3 CYS 525 -10.948 -2.209 5.987 124 HG CYS 525 HG CYS 525 -13.398 -0.147 4.826 125 H ASN 526 HN ASN 526 -13.428 -4.070 4.287 126 HA ASN 526 HA ASN 526 -15.459 -4.406 3.356 127 HB2 ASN 526 HB2 ASN 526 -15.002 -1.725 2.027 128 HB3 ASN 526 HB3 ASN 526 -16.537 -2.584 2.087 129 HD21 ASN 526 HD21 ASN 526 -17.649 -2.723 4.049 130 HD22 ASN 526 HD22 ASN 526 -17.292 -1.671 5.374 131 H LEU 527 HN LEU 527 -13.125 -5.459 2.175 132 HA LEU 527 HA LEU 527 -13.439 -5.247 -0.707 133 HB2 LEU 527 HB2 LEU 527 -11.487 -6.739 1.047 134 HB3 LEU 527 HB1 LEU 527 -11.449 -6.780 -0.706 135 HG LEU 527 HG LEU 527 -11.182 -4.233 0.890 136 HD11 LEU 527 HD11 LEU 527 -8.992 -5.929 -0.308 137 HD12 LEU 527 HD12 LEU 527 -9.334 -5.773 1.415 138 HD13 LEU 527 HD13 LEU 527 -8.794 -4.367 0.493 139 HD21 LEU 527 HD21 LEU 527 -10.595 -4.938 -1.980 140 HD22 LEU 527 HD22 LEU 527 -10.255 -3.387 -1.216 141 HD23 LEU 527 HD23 LEU 527 -11.921 -3.932 -1.400 142 HA PRO 528 HA PRO 528 -15.928 -9.039 -0.757 143 HB2 PRO 528 HB2 PRO 528 -15.847 -8.652 -3.653 144 HB3 PRO 528 HB3 PRO 528 -17.238 -8.682 -2.573 145 HG2 PRO 528 HG2 PRO 528 -16.383 -6.420 -3.782 146 HG3 PRO 528 HG3 PRO 528 -17.164 -6.426 -2.191 147 HD2 PRO 528 HD2 PRO 528 -14.267 -6.187 -2.882 148 HD3 PRO 528 HD3 PRO 528 -15.200 -5.351 -1.623 149 H GLU 529 HN GLU 529 -15.062 -11.018 -0.773 150 HA GLU 529 HA GLU 529 -12.529 -11.567 -1.920 151 HB2 GLU 529 HB2 GLU 529 -14.255 -12.861 -0.114 152 HB3 GLU 529 HB3 GLU 529 -14.026 -13.976 -1.457 153 HG2 GLU 529 HG2 GLU 529 -11.827 -12.662 0.125 154 HG3 GLU 529 HG3 GLU 529 -12.382 -14.323 0.316 155 H GLY 530 HN GLY 530 -11.963 -12.594 -3.758 156 HA2 GLY 530 HA2 GLY 530 -12.225 -13.756 -5.750 157 HA3 GLY 530 HA1 GLY 530 -13.950 -13.838 -5.446 158 H SER 531 HN SER 531 -13.784 -10.757 -5.050 159 HA SER 531 HA SER 531 -13.997 -10.190 -7.925 160 HB2 SER 531 HB2 SER 531 -15.106 -8.591 -5.608 161 HB3 SER 531 HB3 SER 531 -15.446 -8.338 -7.320 162 HG SER 531 HG SER 531 -15.928 -10.898 -6.436 163 H CYS 532 HN CYS 532 -12.565 -8.998 -4.914 164 HA CYS 532 HA CYS 532 -11.030 -7.013 -6.371 165 HB2 CYS 532 HB2 CYS 532 -10.967 -7.827 -3.458 166 HB3 CYS 532 HB3 CYS 532 -10.044 -6.498 -4.154 167 HG CYS 532 HG CYS 532 -11.862 -4.814 -3.494 168 H THR 533 HN THR 533 -9.128 -7.405 -7.272 169 HA THR 533 HA THR 533 -7.695 -9.843 -6.461 170 HB THR 533 HB THR 533 -6.575 -9.765 -8.635 171 HG1 THR 533 HG1 THR 533 -8.231 -7.472 -9.100 172 HG21 THR 533 HG21 THR 533 -8.506 -10.262 -10.068 173 HG22 THR 533 HG22 THR 533 -9.576 -9.536 -8.869 174 HG23 THR 533 HG23 THR 533 -8.673 -10.998 -8.475 175 H GLU 534 HN GLU 534 -5.236 -9.620 -6.823 176 HA GLU 534 HA GLU 534 -4.152 -7.804 -5.045 177 HB2 GLU 534 HB2 GLU 534 -2.694 -8.901 -7.452 178 HB3 GLU 534 HB3 GLU 534 -1.995 -8.405 -5.917 179 HG2 GLU 534 HG2 GLU 534 -3.041 -10.267 -4.796 180 HG3 GLU 534 HG3 GLU 534 -3.868 -10.733 -6.281 181 H ASN 535 HN ASN 535 -4.398 -7.595 -8.566 182 HA ASN 535 HA ASN 535 -2.979 -5.215 -8.926 183 HB2 ASN 535 HB2 ASN 535 -5.179 -6.472 -10.561 184 HB3 ASN 535 HB3 ASN 535 -4.315 -5.027 -11.070 185 HD21 ASN 535 HD21 ASN 535 -4.464 -7.670 -12.294 186 HD22 ASN 535 HD22 ASN 535 -2.829 -8.212 -12.436 187 H ASP 536 HN ASP 536 -6.429 -5.748 -8.293 188 HA ASP 536 HA ASP 536 -7.277 -3.132 -8.880 189 HB2 ASP 536 HB2 ASP 536 -8.491 -5.109 -6.942 190 HB3 ASP 536 HB3 ASP 536 -9.261 -3.632 -7.505 191 H VAL 537 HN VAL 537 -6.345 -4.632 -5.823 192 HA VAL 537 HA VAL 537 -6.912 -2.393 -4.188 193 HB VAL 537 HB VAL 537 -5.001 -4.687 -3.694 194 HG11 VAL 537 HG11 VAL 537 -4.715 -2.689 -2.210 195 HG12 VAL 537 HG12 VAL 537 -5.130 -4.189 -1.385 196 HG13 VAL 537 HG13 VAL 537 -6.367 -2.963 -1.650 197 HG21 VAL 537 HG21 VAL 537 -7.906 -4.369 -2.955 198 HG22 VAL 537 HG22 VAL 537 -6.861 -5.709 -2.476 199 HG23 VAL 537 HG23 VAL 537 -7.257 -5.463 -4.177 200 H ILE 538 HN ILE 538 -3.943 -3.572 -5.695 201 HA ILE 538 HA ILE 538 -2.224 -1.593 -4.629 202 HB ILE 538 HB ILE 538 -1.965 -3.308 -7.101 203 HG12 ILE 538 HG12 ILE 538 -0.700 -3.633 -4.374 204 HG13 ILE 538 HG13 ILE 538 -2.178 -4.452 -4.866 205 HG21 ILE 538 HG21 ILE 538 -0.505 -1.387 -7.305 206 HG22 ILE 538 HG22 ILE 538 0.448 -2.831 -6.962 207 HG23 ILE 538 HG23 ILE 538 0.125 -1.663 -5.682 208 HD11 ILE 538 HD11 ILE 538 0.537 -4.769 -6.122 209 HD12 ILE 538 HD12 ILE 538 -0.942 -5.565 -6.661 210 HD13 ILE 538 HD13 ILE 538 -0.281 -5.925 -5.067 211 H ASN 539 HN ASN 539 -4.011 -1.856 -7.670 212 HA ASN 539 HA ASN 539 -2.988 0.469 -8.881 213 HB2 ASN 539 HB2 ASN 539 -5.448 -1.187 -9.343 214 HB3 ASN 539 HB3 ASN 539 -5.213 0.322 -10.219 215 HD21 ASN 539 HD21 ASN 539 -5.122 -0.836 -12.164 216 HD22 ASN 539 HD22 ASN 539 -3.712 -1.731 -12.620 217 H LEU 540 HN LEU 540 -5.513 0.017 -6.517 218 HA LEU 540 HA LEU 540 -6.752 2.547 -6.987 219 HB2 LEU 540 HB2 LEU 540 -6.957 0.583 -4.730 220 HB3 LEU 540 HB1 LEU 540 -7.809 2.115 -4.719 221 HG LEU 540 HG LEU 540 -8.174 -0.131 -6.699 222 HD11 LEU 540 HD11 LEU 540 -9.180 -0.502 -4.502 223 HD12 LEU 540 HD12 LEU 540 -10.403 -0.263 -5.752 224 HD13 LEU 540 HD13 LEU 540 -10.023 1.046 -4.632 225 HD21 LEU 540 HD21 LEU 540 -10.022 1.290 -7.578 226 HD22 LEU 540 HD22 LEU 540 -8.414 1.938 -7.889 227 HD23 LEU 540 HD23 LEU 540 -9.404 2.620 -6.600 228 H GLY 541 HN GLY 541 -4.106 1.495 -4.956 229 HA2 GLY 541 HA2 GLY 541 -4.111 3.935 -3.409 230 HA3 GLY 541 HA1 GLY 541 -2.854 2.704 -3.408 231 H LEU 542 HN LEU 542 -2.556 2.729 -6.268 232 HA LEU 542 HA LEU 542 -0.369 4.426 -6.398 233 HB2 LEU 542 HB2 LEU 542 -1.910 2.978 -8.510 234 HB3 LEU 542 HB1 LEU 542 -0.516 3.959 -8.914 235 HG LEU 542 HG LEU 542 -0.444 1.643 -6.981 236 HD11 LEU 542 HD11 LEU 542 -0.967 0.880 -9.243 237 HD12 LEU 542 HD12 LEU 542 0.659 0.405 -8.756 238 HD13 LEU 542 HD13 LEU 542 0.430 1.761 -9.860 239 HD21 LEU 542 HD21 LEU 542 1.740 3.258 -8.285 240 HD22 LEU 542 HD22 LEU 542 1.977 1.844 -7.259 241 HD23 LEU 542 HD23 LEU 542 1.277 3.314 -6.586 242 HA PRO 543 HA PRO 543 -3.060 7.336 -9.359 243 HB2 PRO 543 HB2 PRO 543 -5.330 7.578 -7.416 244 HB3 PRO 543 HB3 PRO 543 -5.341 7.712 -9.184 245 HG2 PRO 543 HG2 PRO 543 -6.211 5.508 -8.058 246 HG3 PRO 543 HG3 PRO 543 -5.131 5.393 -9.465 247 HD2 PRO 543 HD2 PRO 543 -4.497 5.040 -6.555 248 HD3 PRO 543 HD3 PRO 543 -3.954 4.080 -7.948 249 H PHE 544 HN PHE 544 -3.201 7.584 -5.782 250 HA PHE 544 HA PHE 544 -2.321 10.366 -6.133 251 HB2 PHE 544 HB2 PHE 544 -3.892 9.112 -3.903 252 HB3 PHE 544 HB1 PHE 544 -3.148 10.705 -3.765 253 HD1 PHE 544 HD1 PHE 544 -5.565 8.724 -5.754 254 HD2 PHE 544 HD2 PHE 544 -4.186 12.595 -4.665 255 HE1 PHE 544 HE1 PHE 544 -7.489 9.726 -6.910 256 HE2 PHE 544 HE2 PHE 544 -6.113 13.607 -5.814 257 HZ PHE 544 HZ PHE 544 -7.764 12.169 -6.942 258 H GLY 545 HN GLY 545 -1.341 7.339 -4.883 259 HA2 GLY 545 HA2 GLY 545 1.119 8.631 -3.897 260 HA3 GLY 545 HA1 GLY 545 0.337 7.355 -2.976 261 H LYS 546 HN LYS 546 2.464 6.330 -3.143 262 HA LYS 546 HA LYS 546 2.731 4.833 -5.663 263 HB2 LYS 546 HB2 LYS 546 4.545 6.412 -5.633 264 HB3 LYS 546 HB3 LYS 546 4.930 6.022 -3.963 265 HG2 LYS 546 HG2 LYS 546 6.568 4.986 -5.338 266 HG3 LYS 546 HG3 LYS 546 5.511 3.708 -4.721 267 HD2 LYS 546 HD2 LYS 546 4.313 3.649 -6.830 268 HD3 LYS 546 HD3 LYS 546 5.290 4.983 -7.449 269 HE2 LYS 546 HE2 LYS 546 7.297 3.608 -7.273 270 HE3 LYS 546 HE3 LYS 546 6.340 2.280 -6.619 271 HZ1 LYS 546 HZ1 LYS 546 6.791 2.008 -8.987 272 HZ2 LYS 546 HZ2 LYS 546 6.002 3.463 -9.323 273 HZ3 LYS 546 HZ3 LYS 546 5.132 2.155 -8.698 274 H VAL 547 HN VAL 547 2.703 2.692 -5.395 275 HA VAL 547 HA VAL 547 2.705 1.587 -2.717 276 HB VAL 547 HB VAL 547 2.121 0.280 -5.379 277 HG11 VAL 547 HG11 VAL 547 1.224 -1.565 -4.043 278 HG12 VAL 547 HG12 VAL 547 1.744 -0.745 -2.571 279 HG13 VAL 547 HG13 VAL 547 2.941 -1.312 -3.732 280 HG21 VAL 547 HG21 VAL 547 0.476 1.979 -4.798 281 HG22 VAL 547 HG22 VAL 547 0.260 1.243 -3.211 282 HG23 VAL 547 HG23 VAL 547 -0.219 0.364 -4.661 283 H THR 548 HN THR 548 4.346 0.505 -1.881 284 HA THR 548 HA THR 548 6.572 -0.267 -3.631 285 HB THR 548 HB THR 548 7.855 -0.397 -1.479 286 HG1 THR 548 HG1 THR 548 6.671 -0.309 0.279 287 HG21 THR 548 HG21 THR 548 6.596 2.222 -2.265 288 HG22 THR 548 HG22 THR 548 8.128 1.556 -2.835 289 HG23 THR 548 HG23 THR 548 7.960 2.083 -1.158 290 H ASN 549 HN ASN 549 4.409 -1.408 -1.135 291 HA ASN 549 HA ASN 549 4.977 -4.189 -1.788 292 HB2 ASN 549 HB2 ASN 549 5.479 -2.905 0.893 293 HB3 ASN 549 HB3 ASN 549 5.096 -4.616 0.770 294 HD21 ASN 549 HD21 ASN 549 7.540 -2.913 1.489 295 HD22 ASN 549 HD22 ASN 549 8.820 -3.680 0.609 296 H TYR 550 HN TYR 550 3.373 -5.640 -0.657 297 HA TYR 550 HA TYR 550 1.065 -4.316 0.466 298 HB2 TYR 550 HB2 TYR 550 -0.530 -5.289 -1.148 299 HB3 TYR 550 HB3 TYR 550 0.560 -4.135 -1.905 300 HD1 TYR 550 HD1 TYR 550 -0.789 -7.422 -2.054 301 HD2 TYR 550 HD2 TYR 550 2.609 -5.108 -3.151 302 HE1 TYR 550 HE1 TYR 550 -0.204 -9.097 -3.756 303 HE2 TYR 550 HE2 TYR 550 3.204 -6.778 -4.853 304 HH TYR 550 HH TYR 550 2.805 -9.179 -5.294 305 H ILE 551 HN ILE 551 -0.264 -5.656 1.640 306 HA ILE 551 HA ILE 551 0.410 -8.515 1.692 307 HB ILE 551 HB ILE 551 0.063 -6.701 4.090 308 HG12 ILE 551 HG12 ILE 551 2.208 -8.640 3.199 309 HG13 ILE 551 HG13 ILE 551 2.332 -6.894 3.335 310 HG21 ILE 551 HG21 ILE 551 -1.373 -8.636 4.435 311 HG22 ILE 551 HG22 ILE 551 0.039 -8.710 5.490 312 HG23 ILE 551 HG23 ILE 551 -0.032 -9.716 4.045 313 HD11 ILE 551 HD11 ILE 551 2.054 -8.853 5.595 314 HD12 ILE 551 HD12 ILE 551 2.052 -7.101 5.780 315 HD13 ILE 551 HD13 ILE 551 3.487 -7.921 5.167 316 H LEU 552 HN LEU 552 -1.305 -9.740 1.369 317 HA LEU 552 HA LEU 552 -3.936 -8.437 1.494 318 HB2 LEU 552 HB2 LEU 552 -2.813 -10.539 -0.341 319 HB3 LEU 552 HB1 LEU 552 -4.531 -10.190 -0.250 320 HG LEU 552 HG LEU 552 -2.468 -8.087 -0.903 321 HD11 LEU 552 HD11 LEU 552 -4.183 -9.668 -2.819 322 HD12 LEU 552 HD12 LEU 552 -2.447 -9.885 -2.601 323 HD13 LEU 552 HD13 LEU 552 -3.071 -8.361 -3.232 324 HD21 LEU 552 HD21 LEU 552 -4.465 -6.941 -1.822 325 HD22 LEU 552 HD22 LEU 552 -4.525 -7.190 -0.077 326 HD23 LEU 552 HD23 LEU 552 -5.465 -8.232 -1.150 327 H MET 553 HN MET 553 -5.086 -9.073 3.177 328 HA MET 553 HA MET 553 -4.952 -11.909 3.957 329 HB2 MET 553 HB2 MET 553 -6.047 -9.580 5.550 330 HB3 MET 553 HB3 MET 553 -5.845 -11.233 6.118 331 HG2 MET 553 HG2 MET 553 -3.424 -11.016 5.877 332 HG3 MET 553 HG3 MET 553 -3.630 -9.360 5.317 333 HE1 MET 553 HE1 MET 553 -2.033 -8.352 7.071 334 HE2 MET 553 HE2 MET 553 -1.659 -9.980 7.641 335 HE3 MET 553 HE3 MET 553 -2.085 -8.715 8.795 336 H LYS 554 HN LYS 554 -6.339 -12.583 2.295 337 HA LYS 554 HA LYS 554 -8.851 -11.368 1.799 338 HB2 LYS 554 HB2 LYS 554 -7.668 -14.019 1.011 339 HB3 LYS 554 HB3 LYS 554 -9.293 -13.543 0.542 340 HG2 LYS 554 HG2 LYS 554 -6.782 -12.011 -0.130 341 HG3 LYS 554 HG3 LYS 554 -7.627 -13.117 -1.219 342 HD2 LYS 554 HD2 LYS 554 -9.687 -11.634 -0.774 343 HD3 LYS 554 HD3 LYS 554 -8.524 -10.459 -0.156 344 HE2 LYS 554 HE2 LYS 554 -9.038 -10.036 -2.503 345 HE3 LYS 554 HE3 LYS 554 -7.346 -10.488 -2.294 346 HZ1 LYS 554 HZ1 LYS 554 -8.557 -11.575 -4.197 347 HZ2 LYS 554 HZ2 LYS 554 -9.438 -12.453 -3.039 348 HZ3 LYS 554 HZ3 LYS 554 -7.754 -12.626 -3.142 349 H SER 555 HN SER 555 -7.779 -13.880 3.951 350 HA SER 555 HA SER 555 -10.226 -15.104 4.514 351 HB2 SER 555 HB2 SER 555 -9.127 -15.833 6.623 352 HB3 SER 555 HB3 SER 555 -8.115 -16.090 5.204 353 HG SER 555 HG SER 555 -7.656 -14.565 7.394 354 H THR 556 HN THR 556 -8.848 -12.099 5.658 355 HA THR 556 HA THR 556 -11.134 -11.766 7.471 356 HB THR 556 HB THR 556 -9.822 -9.941 8.524 357 HG1 THR 556 HG1 THR 556 -8.462 -9.678 6.534 358 HG21 THR 556 HG21 THR 556 -8.415 -12.611 8.402 359 HG22 THR 556 HG22 THR 556 -9.751 -12.188 9.474 360 HG23 THR 556 HG23 THR 556 -8.189 -11.389 9.653 361 H ASN 557 HN ASN 557 -10.590 -11.186 4.421 362 HA ASN 557 HA ASN 557 -11.287 -9.693 2.841 363 HB2 ASN 557 HB2 ASN 557 -13.060 -8.770 5.106 364 HB3 ASN 557 HB3 ASN 557 -13.268 -8.312 3.417 365 HD21 ASN 557 HD21 ASN 557 -15.019 -9.776 5.283 366 HD22 ASN 557 HD22 ASN 557 -15.397 -11.262 4.484 367 H GLN 558 HN GLN 558 -8.935 -8.913 4.083 368 HA GLN 558 HA GLN 558 -9.234 -5.994 4.186 369 HB2 GLN 558 HB2 GLN 558 -7.727 -7.678 6.197 370 HB3 GLN 558 HB3 GLN 558 -7.664 -5.923 6.112 371 HG2 GLN 558 HG2 GLN 558 -10.251 -7.411 6.487 372 HG3 GLN 558 HG3 GLN 558 -9.208 -6.961 7.846 373 HE21 GLN 558 HE21 GLN 558 -9.008 -4.800 8.404 374 HE22 GLN 558 HE22 GLN 558 -10.097 -3.593 7.822 375 H ALA 559 HN ALA 559 -7.409 -4.831 3.531 376 HA ALA 559 HA ALA 559 -5.170 -6.412 2.474 377 HB1 ALA 559 HB1 ALA 559 -6.716 -5.949 0.627 378 HB2 ALA 559 HB2 ALA 559 -5.176 -5.114 0.418 379 HB3 ALA 559 HB3 ALA 559 -6.595 -4.223 0.966 380 H PHE 560 HN PHE 560 -3.189 -5.409 2.504 381 HA PHE 560 HA PHE 560 -3.095 -2.743 3.746 382 HB2 PHE 560 HB2 PHE 560 -1.200 -5.059 4.215 383 HB3 PHE 560 HB1 PHE 560 -1.054 -3.454 4.926 384 HD1 PHE 560 HD1 PHE 560 -3.080 -6.536 4.875 385 HD2 PHE 560 HD2 PHE 560 -2.329 -2.826 6.825 386 HE1 PHE 560 HE1 PHE 560 -4.470 -7.248 6.777 387 HE2 PHE 560 HE2 PHE 560 -3.714 -3.540 8.725 388 HZ PHE 560 HZ PHE 560 -4.841 -5.743 8.664 389 H LEU 561 HN LEU 561 -1.969 -1.276 2.661 390 HA LEU 561 HA LEU 561 -0.303 -2.190 0.404 391 HB2 LEU 561 HB2 LEU 561 -2.660 -1.264 -0.060 392 HB3 LEU 561 HB1 LEU 561 -2.005 0.288 0.411 393 HG LEU 561 HG LEU 561 -0.346 0.109 -1.424 394 HD11 LEU 561 HD11 LEU 561 -0.672 -1.596 -3.143 395 HD12 LEU 561 HD12 LEU 561 -1.928 -2.351 -2.161 396 HD13 LEU 561 HD13 LEU 561 -0.260 -2.320 -1.591 397 HD21 LEU 561 HD21 LEU 561 -3.246 -0.148 -2.218 398 HD22 LEU 561 HD22 LEU 561 -1.959 0.491 -3.242 399 HD23 LEU 561 HD23 LEU 561 -2.409 1.338 -1.761 400 H GLU 562 HN GLU 562 1.702 -1.259 0.288 401 HA GLU 562 HA GLU 562 2.344 0.697 2.382 402 HB2 GLU 562 HB2 GLU 562 3.624 -1.459 2.280 403 HB3 GLU 562 HB3 GLU 562 4.262 -0.926 0.724 404 HG2 GLU 562 HG2 GLU 562 5.292 0.998 1.777 405 HG3 GLU 562 HG3 GLU 562 4.616 0.531 3.336 406 H MET 563 HN MET 563 3.256 2.630 1.971 407 HA MET 563 HA MET 563 3.558 3.363 -0.859 408 HB2 MET 563 HB2 MET 563 2.671 4.997 1.507 409 HB3 MET 563 HB3 MET 563 3.125 5.716 -0.033 410 HG2 MET 563 HG2 MET 563 0.767 5.528 -0.006 411 HG3 MET 563 HG3 MET 563 1.379 4.308 -1.119 412 HE1 MET 563 HE1 MET 563 -1.501 2.147 0.076 413 HE2 MET 563 HE2 MET 563 -0.463 2.625 -1.266 414 HE3 MET 563 HE3 MET 563 -1.502 3.820 -0.482 415 H ALA 564 HN ALA 564 5.382 4.236 -1.544 416 HA ALA 564 HA ALA 564 7.788 3.910 -0.145 417 HB1 ALA 564 HB1 ALA 564 8.821 5.150 -1.993 418 HB2 ALA 564 HB2 ALA 564 7.223 5.656 -2.544 419 HB3 ALA 564 HB3 ALA 564 7.671 3.950 -2.582 420 H TYR 565 HN TYR 565 5.590 6.551 -0.367 421 HA TYR 565 HA TYR 565 7.351 8.217 1.299 422 HB2 TYR 565 HB2 TYR 565 5.389 9.294 -0.735 423 HB3 TYR 565 HB3 TYR 565 6.660 10.170 0.106 424 HD1 TYR 565 HD1 TYR 565 5.832 8.064 -2.722 425 HD2 TYR 565 HD2 TYR 565 9.041 9.859 -0.578 426 HE1 TYR 565 HE1 TYR 565 7.322 7.667 -4.634 427 HE2 TYR 565 HE2 TYR 565 10.537 9.469 -2.490 428 HH TYR 565 HH TYR 565 9.385 8.579 -5.565 429 H THR 566 HN THR 566 6.387 8.963 3.109 430 HA THR 566 HA THR 566 3.894 7.937 3.922 431 HB THR 566 HB THR 566 5.531 8.464 5.598 432 HG1 THR 566 HG1 THR 566 4.211 9.871 6.957 433 HG21 THR 566 HG21 THR 566 6.182 10.776 6.117 434 HG22 THR 566 HG22 THR 566 5.274 11.338 4.713 435 HG23 THR 566 HG23 THR 566 6.682 10.297 4.497 436 H GLU 567 HN GLU 567 4.845 10.954 2.429 437 HA GLU 567 HA GLU 567 2.392 12.328 2.758 438 HB2 GLU 567 HB2 GLU 567 3.201 13.792 0.973 439 HB3 GLU 567 HB3 GLU 567 4.480 13.465 2.135 440 HG2 GLU 567 HG2 GLU 567 5.232 11.629 0.542 441 HG3 GLU 567 HG3 GLU 567 4.155 12.373 -0.636 442 H ALA 568 HN ALA 568 3.539 9.987 0.445 443 HA ALA 568 HA ALA 568 1.481 10.280 -1.463 444 HB1 ALA 568 HB1 ALA 568 3.563 9.103 -1.951 445 HB2 ALA 568 HB2 ALA 568 2.173 8.059 -2.241 446 HB3 ALA 568 HB3 ALA 568 3.141 7.853 -0.782 447 H ALA 569 HN ALA 569 1.860 8.221 1.379 448 HA ALA 569 HA ALA 569 -0.559 6.786 1.060 449 HB1 ALA 569 HB1 ALA 569 1.345 6.031 2.446 450 HB2 ALA 569 HB2 ALA 569 -0.189 6.003 3.308 451 HB3 ALA 569 HB3 ALA 569 0.969 7.300 3.607 452 H GLN 570 HN GLN 570 0.312 9.621 3.002 453 HA GLN 570 HA GLN 570 -2.202 9.863 4.265 454 HB2 GLN 570 HB2 GLN 570 -0.007 11.881 3.793 455 HB3 GLN 570 HB3 GLN 570 -1.425 12.195 4.783 456 HG2 GLN 570 HG2 GLN 570 -0.795 10.445 6.315 457 HG3 GLN 570 HG3 GLN 570 0.568 9.999 5.288 458 HE21 GLN 570 HE21 GLN 570 2.367 11.320 5.215 459 HE22 GLN 570 HE22 GLN 570 2.663 12.553 6.390 460 H ALA 571 HN ALA 571 -0.822 11.421 1.379 461 HA ALA 571 HA ALA 571 -2.969 13.217 0.976 462 HB1 ALA 571 HB1 ALA 571 -0.739 13.564 0.019 463 HB2 ALA 571 HB2 ALA 571 -2.003 13.627 -1.208 464 HB3 ALA 571 HB3 ALA 571 -0.995 12.189 -1.054 465 H MET 572 HN MET 572 -2.331 9.953 -0.234 466 HA MET 572 HA MET 572 -4.471 9.975 -2.099 467 HB2 MET 572 HB2 MET 572 -4.102 7.660 -2.403 468 HB3 MET 572 HB3 MET 572 -2.519 8.352 -2.099 469 HG2 MET 572 HG2 MET 572 -2.466 7.480 0.105 470 HG3 MET 572 HG3 MET 572 -4.167 7.026 0.035 471 HE1 MET 572 HE1 MET 572 -0.588 6.374 -1.259 472 HE2 MET 572 HE2 MET 572 -1.431 6.504 -2.805 473 HE3 MET 572 HE3 MET 572 -0.777 4.951 -2.286 474 H VAL 573 HN VAL 573 -4.166 8.896 1.237 475 HA VAL 573 HA VAL 573 -6.754 7.803 1.424 476 HB VAL 573 HB VAL 573 -4.838 8.711 3.561 477 HG11 VAL 573 HG11 VAL 573 -6.309 7.316 5.062 478 HG12 VAL 573 HG12 VAL 573 -7.519 7.370 3.781 479 HG13 VAL 573 HG13 VAL 573 -6.988 8.861 4.555 480 HG21 VAL 573 HG21 VAL 573 -4.099 6.812 2.232 481 HG22 VAL 573 HG22 VAL 573 -5.646 6.002 2.504 482 HG23 VAL 573 HG23 VAL 573 -4.545 6.281 3.855 483 H GLN 574 HN GLN 574 -5.492 11.045 2.025 484 HA GLN 574 HA GLN 574 -7.768 12.152 3.218 485 HB2 GLN 574 HB2 GLN 574 -5.750 13.379 1.333 486 HB3 GLN 574 HB3 GLN 574 -7.005 14.312 2.133 487 HG2 GLN 574 HG2 GLN 574 -4.914 12.705 3.576 488 HG3 GLN 574 HG3 GLN 574 -4.781 14.425 3.221 489 HE21 GLN 574 HE21 GLN 574 -6.342 12.010 5.155 490 HE22 GLN 574 HE22 GLN 574 -7.091 13.098 6.271 491 H TYR 575 HN TYR 575 -6.953 11.592 -0.165 492 HA TYR 575 HA TYR 575 -9.387 12.617 -1.194 493 HB2 TYR 575 HB2 TYR 575 -7.383 12.332 -2.599 494 HB3 TYR 575 HB3 TYR 575 -7.528 10.585 -2.431 495 HD1 TYR 575 HD1 TYR 575 -9.221 13.593 -3.768 496 HD2 TYR 575 HD2 TYR 575 -8.979 9.353 -3.833 497 HE1 TYR 575 HE1 TYR 575 -10.699 13.545 -5.724 498 HE2 TYR 575 HE2 TYR 575 -10.462 9.291 -5.793 499 HH TYR 575 HH TYR 575 -11.252 12.105 -7.584 500 H TYR 576 HN TYR 576 -8.331 9.317 -0.337 501 HA TYR 576 HA TYR 576 -10.731 8.179 -1.404 502 HB2 TYR 576 HB2 TYR 576 -8.648 6.864 0.333 503 HB3 TYR 576 HB3 TYR 576 -9.901 6.044 -0.594 504 HD1 TYR 576 HD1 TYR 576 -6.683 6.074 -0.625 505 HD2 TYR 576 HD2 TYR 576 -9.753 7.581 -3.149 506 HE1 TYR 576 HE1 TYR 576 -5.151 5.972 -2.533 507 HE2 TYR 576 HE2 TYR 576 -8.223 7.489 -5.073 508 HH TYR 576 HH TYR 576 -5.415 5.769 -5.095 509 H GLN 577 HN GLN 577 -9.937 9.408 1.743 510 HA GLN 577 HA GLN 577 -12.033 7.941 3.037 511 HB2 GLN 577 HB2 GLN 577 -10.402 10.325 3.856 512 HB3 GLN 577 HB3 GLN 577 -11.796 9.819 4.803 513 HG2 GLN 577 HG2 GLN 577 -10.675 7.540 4.900 514 HG3 GLN 577 HG3 GLN 577 -9.238 8.356 4.280 515 HE21 GLN 577 HE21 GLN 577 -8.087 7.969 6.179 516 HE22 GLN 577 HE22 GLN 577 -8.410 8.827 7.639 517 H GLU 578 HN GLU 578 -11.807 10.932 1.291 518 HA GLU 578 HA GLU 578 -14.534 11.662 2.040 519 HB2 GLU 578 HB2 GLU 578 -12.433 13.165 0.473 520 HB3 GLU 578 HB3 GLU 578 -14.037 13.786 0.852 521 HG2 GLU 578 HG2 GLU 578 -11.854 13.090 2.806 522 HG3 GLU 578 HG3 GLU 578 -12.426 14.702 2.383 523 H LYS 579 HN LYS 579 -12.585 10.795 -0.763 524 HA LYS 579 HA LYS 579 -15.071 10.229 -2.248 525 HB2 LYS 579 HB2 LYS 579 -12.497 11.338 -3.396 526 HB3 LYS 579 HB3 LYS 579 -13.926 10.906 -4.321 527 HG2 LYS 579 HG2 LYS 579 -15.189 12.676 -3.327 528 HG3 LYS 579 HG3 LYS 579 -13.887 13.030 -2.192 529 HD2 LYS 579 HD2 LYS 579 -13.807 14.668 -3.927 530 HD3 LYS 579 HD3 LYS 579 -12.434 13.585 -4.144 531 HE2 LYS 579 HE2 LYS 579 -13.387 14.004 -6.292 532 HE3 LYS 579 HE3 LYS 579 -13.777 12.346 -5.842 533 HZ1 LYS 579 HZ1 LYS 579 -15.983 13.048 -5.217 534 HZ2 LYS 579 HZ2 LYS 579 -15.671 13.522 -6.809 535 HZ3 LYS 579 HZ3 LYS 579 -15.613 14.661 -5.561 536 HA PRO 580 HA PRO 580 -12.332 6.523 -1.684 537 HB2 PRO 580 HB2 PRO 580 -14.865 5.093 -1.312 538 HB3 PRO 580 HB3 PRO 580 -13.474 5.224 -0.225 539 HG2 PRO 580 HG2 PRO 580 -15.809 6.447 0.316 540 HG3 PRO 580 HG3 PRO 580 -14.244 7.176 0.744 541 HD2 PRO 580 HD2 PRO 580 -16.018 7.757 -1.606 542 HD3 PRO 580 HD3 PRO 580 -15.191 8.892 -0.516 543 H ALA 581 HN ALA 581 -12.159 4.523 -2.853 544 HA ALA 581 HA ALA 581 -13.071 4.884 -5.601 545 HB1 ALA 581 HB1 ALA 581 -10.987 2.986 -4.525 546 HB2 ALA 581 HB2 ALA 581 -10.656 4.611 -5.128 547 HB3 ALA 581 HB3 ALA 581 -11.292 3.379 -6.218 548 H ILE 582 HN ILE 582 -13.825 3.050 -6.848 549 HA ILE 582 HA ILE 582 -15.447 1.279 -5.144 550 HB ILE 582 HB ILE 582 -16.168 2.467 -7.827 551 HG12 ILE 582 HG12 ILE 582 -17.176 3.035 -5.037 552 HG13 ILE 582 HG13 ILE 582 -16.246 4.122 -6.046 553 HG21 ILE 582 HG21 ILE 582 -18.371 1.473 -7.478 554 HG22 ILE 582 HG22 ILE 582 -17.798 0.716 -5.991 555 HG23 ILE 582 HG23 ILE 582 -17.114 0.237 -7.545 556 HD11 ILE 582 HD11 ILE 582 -19.027 3.144 -6.634 557 HD12 ILE 582 HD12 ILE 582 -18.093 4.274 -7.614 558 HD13 ILE 582 HD13 ILE 582 -18.601 4.727 -5.986 559 H ILE 583 HN ILE 583 -15.300 -0.845 -5.446 560 HA ILE 583 HA ILE 583 -14.302 -1.820 -8.049 561 HB ILE 583 HB ILE 583 -13.851 -3.022 -5.318 562 HG12 ILE 583 HG12 ILE 583 -11.995 -1.956 -7.448 563 HG13 ILE 583 HG13 ILE 583 -12.247 -1.309 -5.830 564 HG21 ILE 583 HG21 ILE 583 -14.403 -4.832 -6.783 565 HG22 ILE 583 HG22 ILE 583 -12.660 -4.845 -6.514 566 HG23 ILE 583 HG23 ILE 583 -13.314 -4.219 -8.028 567 HD11 ILE 583 HD11 ILE 583 -10.935 -3.916 -6.554 568 HD12 ILE 583 HD12 ILE 583 -11.297 -3.407 -4.909 569 HD13 ILE 583 HD13 ILE 583 -10.160 -2.479 -5.885 570 H ASN 584 HN ASN 584 -15.850 -2.756 -9.181 571 HA ASN 584 HA ASN 584 -17.803 -3.743 -9.767 572 HB2 ASN 584 HB2 ASN 584 -16.916 -5.553 -7.528 573 HB3 ASN 584 HB3 ASN 584 -18.332 -5.897 -8.512 574 HD21 ASN 584 HD21 ASN 584 -14.874 -5.773 -8.425 575 HD22 ASN 584 HD22 ASN 584 -14.604 -6.540 -9.944 576 H GLY 585 HN GLY 585 -18.290 -1.507 -8.304 577 HA2 GLY 585 HA2 GLY 585 -20.296 -0.542 -7.645 578 HA3 GLY 585 HA1 GLY 585 -20.964 -2.148 -7.413 579 H GLU 586 HN GLU 586 -18.096 -2.138 -5.801 580 HA GLU 586 HA GLU 586 -19.429 -1.466 -3.270 581 HB2 GLU 586 HB2 GLU 586 -16.873 -3.009 -3.775 582 HB3 GLU 586 HB3 GLU 586 -17.630 -2.760 -2.207 583 HG2 GLU 586 HG2 GLU 586 -18.924 -4.212 -4.500 584 HG3 GLU 586 HG3 GLU 586 -18.034 -4.997 -3.198 585 H LYS 587 HN LYS 587 -18.878 0.348 -2.231 586 HA LYS 587 HA LYS 587 -16.655 1.939 -3.194 587 HB2 LYS 587 HB2 LYS 587 -18.714 2.428 -1.037 588 HB3 LYS 587 HB3 LYS 587 -17.447 3.571 -1.451 589 HG2 LYS 587 HG2 LYS 587 -18.349 3.768 -3.709 590 HG3 LYS 587 HG3 LYS 587 -19.608 2.599 -3.311 591 HD2 LYS 587 HD2 LYS 587 -20.517 4.090 -1.638 592 HD3 LYS 587 HD3 LYS 587 -19.194 5.229 -1.892 593 HE2 LYS 587 HE2 LYS 587 -19.954 5.546 -4.218 594 HE3 LYS 587 HE3 LYS 587 -21.310 4.465 -3.901 595 HZ1 LYS 587 HZ1 LYS 587 -21.913 6.819 -3.711 596 HZ2 LYS 587 HZ2 LYS 587 -20.797 7.008 -2.459 597 HZ3 LYS 587 HZ3 LYS 587 -22.133 5.996 -2.252 598 H LEU 588 HN LEU 588 -14.688 1.365 -2.522 599 HA LEU 588 HA LEU 588 -14.321 0.018 0.015 600 HB2 LEU 588 HB2 LEU 588 -12.166 0.999 -1.845 601 HB3 LEU 588 HB1 LEU 588 -12.033 -0.225 -0.599 602 HG LEU 588 HG LEU 588 -13.513 -0.485 -3.208 603 HD11 LEU 588 HD11 LEU 588 -11.818 -2.272 -3.549 604 HD12 LEU 588 HD12 LEU 588 -11.008 -1.715 -2.085 605 HD13 LEU 588 HD13 LEU 588 -11.149 -0.644 -3.478 606 HD21 LEU 588 HD21 LEU 588 -13.274 -2.425 -0.906 607 HD22 LEU 588 HD22 LEU 588 -13.900 -2.823 -2.506 608 HD23 LEU 588 HD23 LEU 588 -14.753 -1.661 -1.490 609 H LEU 589 HN LEU 589 -13.828 1.013 1.863 610 HA LEU 589 HA LEU 589 -13.010 3.784 1.778 611 HB2 LEU 589 HB2 LEU 589 -14.542 2.955 3.542 612 HB3 LEU 589 HB1 LEU 589 -13.272 1.901 4.130 613 HG LEU 589 HG LEU 589 -11.934 3.810 4.802 614 HD11 LEU 589 HD11 LEU 589 -12.510 5.375 3.050 615 HD12 LEU 589 HD12 LEU 589 -12.831 6.097 4.627 616 HD13 LEU 589 HD13 LEU 589 -14.164 5.479 3.652 617 HD21 LEU 589 HD21 LEU 589 -14.800 4.044 5.707 618 HD22 LEU 589 HD22 LEU 589 -13.399 4.715 6.544 619 HD23 LEU 589 HD23 LEU 589 -13.578 2.968 6.382 620 H ILE 590 HN ILE 590 -11.026 4.071 1.068 621 HA ILE 590 HA ILE 590 -8.869 2.293 1.933 622 HB ILE 590 HB ILE 590 -8.803 4.634 0.014 623 HG12 ILE 590 HG12 ILE 590 -8.868 1.681 -0.611 624 HG13 ILE 590 HG13 ILE 590 -10.201 2.800 -0.842 625 HG21 ILE 590 HG21 ILE 590 -6.742 2.516 0.589 626 HG22 ILE 590 HG22 ILE 590 -6.635 4.229 0.991 627 HG23 ILE 590 HG23 ILE 590 -6.633 3.718 -0.696 628 HD11 ILE 590 HD11 ILE 590 -9.071 2.349 -2.942 629 HD12 ILE 590 HD12 ILE 590 -7.543 2.903 -2.260 630 HD13 ILE 590 HD13 ILE 590 -8.870 4.041 -2.485 631 H ARG 591 HN ARG 591 -7.794 2.818 3.736 632 HA ARG 591 HA ARG 591 -7.480 5.611 4.475 633 HB2 ARG 591 HB2 ARG 591 -8.422 5.112 6.781 634 HB3 ARG 591 HB3 ARG 591 -9.574 5.296 5.469 635 HG2 ARG 591 HG2 ARG 591 -9.825 2.892 5.313 636 HG3 ARG 591 HG3 ARG 591 -8.602 2.665 6.566 637 HD2 ARG 591 HD2 ARG 591 -9.986 3.705 8.207 638 HD3 ARG 591 HD3 ARG 591 -11.142 4.228 6.986 639 HE ARG 591 HE ARG 591 -11.300 1.602 6.682 640 HH11 ARG 591 HH11 ARG 591 -11.165 3.493 9.623 641 HH12 ARG 591 HH12 ARG 591 -12.153 2.393 10.531 642 HH21 ARG 591 HH21 ARG 591 -12.628 0.147 7.884 643 HH22 ARG 591 HH22 ARG 591 -12.988 0.502 9.543 644 H MET 592 HN MET 592 -6.295 5.837 6.583 645 HA MET 592 HA MET 592 -3.779 4.633 6.197 646 HB2 MET 592 HB2 MET 592 -4.782 6.134 8.628 647 HB3 MET 592 HB3 MET 592 -3.104 5.884 8.181 648 HG2 MET 592 HG2 MET 592 -4.772 7.248 6.161 649 HG3 MET 592 HG3 MET 592 -4.497 8.123 7.665 650 HE1 MET 592 HE1 MET 592 -2.657 6.240 4.702 651 HE2 MET 592 HE2 MET 592 -1.916 5.553 6.145 652 HE3 MET 592 HE3 MET 592 -0.974 6.598 5.081 653 H SER 593 HN SER 593 -2.700 3.026 7.326 654 HA SER 593 HA SER 593 -4.351 1.246 8.919 655 HB2 SER 593 HB2 SER 593 -2.812 0.296 7.241 656 HB3 SER 593 HB3 SER 593 -1.444 1.003 8.098 657 HG SER 593 HG SER 593 -3.158 -1.093 8.916 658 H THR 594 HN THR 594 -4.301 1.059 11.070 659 HA THR 594 HA THR 594 -2.383 2.672 12.580 660 HB THR 594 HB THR 594 -4.753 1.135 13.661 661 HG1 THR 594 HG1 THR 594 -4.580 3.653 12.401 662 HG21 THR 594 HG21 THR 594 -3.218 3.509 14.731 663 HG22 THR 594 HG22 THR 594 -3.110 1.854 15.330 664 HG23 THR 594 HG23 THR 594 -4.615 2.757 15.497 665 H ARG 595 HN ARG 595 -2.970 -0.505 11.555 666 HA ARG 595 HA ARG 595 -1.743 -1.812 13.828 667 HB2 ARG 595 HB2 ARG 595 -2.731 -2.895 11.187 668 HB3 ARG 595 HB3 ARG 595 -2.086 -3.885 12.488 669 HG2 ARG 595 HG2 ARG 595 -3.891 -3.150 13.951 670 HG3 ARG 595 HG3 ARG 595 -4.534 -2.143 12.652 671 HD2 ARG 595 HD2 ARG 595 -4.877 -4.144 11.281 672 HD3 ARG 595 HD3 ARG 595 -4.243 -5.145 12.586 673 HE ARG 595 HE ARG 595 -6.327 -3.660 13.649 674 HH11 ARG 595 HH11 ARG 595 -5.889 -6.131 11.207 675 HH12 ARG 595 HH12 ARG 595 -7.484 -6.777 11.397 676 HH21 ARG 595 HH21 ARG 595 -8.422 -4.493 13.898 677 HH22 ARG 595 HH22 ARG 595 -8.940 -5.833 12.924 678 H TYR 596 HN TYR 596 -0.928 -1.069 10.463 679 HA TYR 596 HA TYR 596 1.783 -2.083 11.007 680 HB2 TYR 596 HB2 TYR 596 0.267 -1.911 8.402 681 HB3 TYR 596 HB3 TYR 596 1.987 -2.268 8.501 682 HD1 TYR 596 HD1 TYR 596 2.706 -4.462 8.752 683 HD2 TYR 596 HD2 TYR 596 -1.327 -3.495 9.684 684 HE1 TYR 596 HE1 TYR 596 2.207 -6.851 9.045 685 HE2 TYR 596 HE2 TYR 596 -1.836 -5.880 9.985 686 HH TYR 596 HH TYR 596 0.600 -8.261 10.192 687 H LYS 597 HN LYS 597 3.430 -0.761 10.891 688 HA LYS 597 HA LYS 597 3.044 1.998 10.058 689 HB2 LYS 597 HB2 LYS 597 4.255 1.571 12.134 690 HB3 LYS 597 HB3 LYS 597 5.408 0.561 11.280 691 HG2 LYS 597 HG2 LYS 597 6.181 2.505 10.022 692 HG3 LYS 597 HG3 LYS 597 5.023 3.517 10.887 693 HD2 LYS 597 HD2 LYS 597 6.121 3.013 12.995 694 HD3 LYS 597 HD3 LYS 597 7.244 1.930 12.170 695 HE2 LYS 597 HE2 LYS 597 8.246 4.122 12.639 696 HE3 LYS 597 HE3 LYS 597 8.157 3.784 10.911 697 HZ1 LYS 597 HZ1 LYS 597 7.495 6.057 11.448 698 HZ2 LYS 597 HZ2 LYS 597 6.236 5.475 12.415 699 HZ3 LYS 597 HZ3 LYS 597 6.222 5.190 10.750 700 H GLU 598 HN GLU 598 4.697 -0.927 9.126 701 HA GLU 598 HA GLU 598 5.122 0.064 6.435 702 HB2 GLU 598 HB2 GLU 598 7.522 -0.447 6.436 703 HB3 GLU 598 HB3 GLU 598 7.161 0.801 7.620 704 HG2 GLU 598 HG2 GLU 598 7.131 -0.993 9.365 705 HG3 GLU 598 HG3 GLU 598 7.731 -2.105 8.138 706 H LEU 599 HN LEU 599 5.389 -1.644 4.946 707 HA LEU 599 HA LEU 599 4.750 -4.300 6.011 708 HB2 LEU 599 HB2 LEU 599 4.782 -3.281 3.170 709 HB3 LEU 599 HB1 LEU 599 4.385 -4.921 3.648 710 HG LEU 599 HG LEU 599 2.807 -2.452 4.390 711 HD11 LEU 599 HD11 LEU 599 1.113 -3.349 2.910 712 HD12 LEU 599 HD12 LEU 599 2.168 -4.700 2.500 713 HD13 LEU 599 HD13 LEU 599 2.611 -3.060 2.025 714 HD21 LEU 599 HD21 LEU 599 2.672 -4.176 6.112 715 HD22 LEU 599 HD22 LEU 599 2.241 -5.365 4.878 716 HD23 LEU 599 HD23 LEU 599 1.149 -4.028 5.230 717 H GLN 600 HN GLN 600 6.507 -5.378 6.608 718 HA GLN 600 HA GLN 600 9.059 -4.776 5.394 719 HB2 GLN 600 HB2 GLN 600 8.407 -6.776 7.563 720 HB3 GLN 600 HB3 GLN 600 10.009 -6.205 7.116 721 HG2 GLN 600 HG2 GLN 600 9.241 -3.897 7.749 722 HG3 GLN 600 HG3 GLN 600 7.796 -4.649 8.420 723 HE21 GLN 600 HE21 GLN 600 11.215 -4.217 8.737 724 HE22 GLN 600 HE22 GLN 600 11.352 -4.834 10.343 725 H LEU 601 HN LEU 601 8.122 -5.629 3.291 726 HA LEU 601 HA LEU 601 8.304 -8.542 3.111 727 HB2 LEU 601 HB2 LEU 601 7.436 -6.517 1.052 728 HB3 LEU 601 HB1 LEU 601 7.430 -8.255 0.823 729 HG LEU 601 HG LEU 601 5.708 -6.664 2.714 730 HD11 LEU 601 HD11 LEU 601 5.027 -6.665 0.367 731 HD12 LEU 601 HD12 LEU 601 3.891 -7.557 1.378 732 HD13 LEU 601 HD13 LEU 601 5.044 -8.428 0.366 733 HD21 LEU 601 HD21 LEU 601 4.720 -8.788 3.387 734 HD22 LEU 601 HD22 LEU 601 6.436 -8.731 3.804 735 HD23 LEU 601 HD23 LEU 601 5.898 -9.659 2.403 736 H LYS 602 HN LYS 602 10.618 -7.229 3.665 737 HA LYS 602 HA LYS 602 12.259 -8.219 1.523 738 HB2 LYS 602 HB2 LYS 602 11.827 -5.828 0.894 739 HB3 LYS 602 HB3 LYS 602 12.574 -5.341 2.408 740 HG2 LYS 602 HG2 LYS 602 14.093 -5.149 0.479 741 HG3 LYS 602 HG3 LYS 602 14.694 -6.256 1.713 742 HD2 LYS 602 HD2 LYS 602 13.888 -8.156 0.396 743 HD3 LYS 602 HD3 LYS 602 13.284 -7.049 -0.835 744 HE2 LYS 602 HE2 LYS 602 15.545 -6.271 -1.268 745 HE3 LYS 602 HE3 LYS 602 16.169 -7.314 0.009 746 HZ1 LYS 602 HZ1 LYS 602 15.432 -9.234 -1.256 747 HZ2 LYS 602 HZ2 LYS 602 16.488 -8.289 -2.175 748 HZ3 LYS 602 HZ3 LYS 602 14.826 -8.232 -2.476 749 H LYS 603 HN LYS 603 12.011 -9.441 3.725 750 HA LYS 603 HA LYS 603 13.498 -8.517 5.955 751 HB2 LYS 603 HB2 LYS 603 12.647 -11.319 5.211 752 HB3 LYS 603 HB3 LYS 603 13.230 -10.812 6.791 753 HG2 LYS 603 HG2 LYS 603 10.727 -9.783 5.450 754 HG3 LYS 603 HG3 LYS 603 10.782 -11.025 6.702 755 HD2 LYS 603 HD2 LYS 603 11.719 -8.170 7.009 756 HD3 LYS 603 HD3 LYS 603 10.207 -8.830 7.630 757 HE2 LYS 603 HE2 LYS 603 12.988 -9.690 8.432 758 HE3 LYS 603 HE3 LYS 603 11.894 -8.693 9.387 759 HZ1 LYS 603 HZ1 LYS 603 11.409 -11.509 8.582 760 HZ2 LYS 603 HZ2 LYS 603 10.355 -10.556 9.497 761 HZ3 LYS 603 HZ3 LYS 603 11.866 -10.987 10.123 762 HA PRO 604 HA PRO 604 17.438 -9.432 3.996 763 HB2 PRO 604 HB2 PRO 604 18.642 -8.193 6.331 764 HB3 PRO 604 HB3 PRO 604 18.621 -7.623 4.663 765 HG2 PRO 604 HG2 PRO 604 17.256 -6.409 6.686 766 HG3 PRO 604 HG3 PRO 604 16.754 -6.346 4.988 767 HD2 PRO 604 HD2 PRO 604 15.696 -8.035 7.218 768 HD3 PRO 604 HD3 PRO 604 14.832 -7.242 5.885 769 H GLY 605 HN GLY 605 17.537 -9.510 7.579 770 HA2 GLY 605 HA2 GLY 605 18.406 -11.085 9.013 771 HA3 GLY 605 HA1 GLY 605 17.968 -12.287 7.802 772 H LYS 606 HN LYS 606 20.155 -9.586 7.342 773 HA LYS 606 HA LYS 606 22.400 -11.460 7.090 774 HB2 LYS 606 HB2 LYS 606 21.653 -9.260 5.156 775 HB3 LYS 606 HB3 LYS 606 23.183 -10.122 5.125 776 HG2 LYS 606 HG2 LYS 606 20.456 -11.327 4.698 777 HG3 LYS 606 HG3 LYS 606 21.660 -10.991 3.452 778 HD2 LYS 606 HD2 LYS 606 23.214 -12.535 4.685 779 HD3 LYS 606 HD3 LYS 606 21.848 -12.982 5.706 780 HE2 LYS 606 HE2 LYS 606 22.105 -14.611 3.952 781 HE3 LYS 606 HE3 LYS 606 20.620 -13.701 3.694 782 HZ1 LYS 606 HZ1 LYS 606 21.838 -14.010 1.635 783 HZ2 LYS 606 HZ2 LYS 606 23.194 -13.241 2.291 784 HZ3 LYS 606 HZ3 LYS 606 21.771 -12.369 2.035 785 H ASN 607 HN ASN 607 24.182 -10.831 8.124 786 HA ASN 607 HA ASN 607 24.272 -8.126 9.234 787 HB2 ASN 607 HB2 ASN 607 26.033 -10.522 9.807 788 HB3 ASN 607 HB3 ASN 607 26.117 -8.970 10.634 789 HD21 ASN 607 HD21 ASN 607 24.435 -11.952 10.310 790 HD22 ASN 607 HD22 ASN 607 23.350 -11.731 11.639 791 H VAL 608 HN VAL 608 25.661 -10.098 6.810 792 HA VAL 608 HA VAL 608 28.027 -8.574 6.336 793 HB VAL 608 HB VAL 608 26.453 -10.395 4.511 794 HG11 VAL 608 HG11 VAL 608 27.794 -8.846 3.203 795 HG12 VAL 608 HG12 VAL 608 28.464 -10.473 3.116 796 HG13 VAL 608 HG13 VAL 608 29.222 -9.261 4.148 797 HG21 VAL 608 HG21 VAL 608 27.364 -11.520 6.474 798 HG22 VAL 608 HG22 VAL 608 28.966 -10.886 6.103 799 HG23 VAL 608 HG23 VAL 608 28.198 -12.033 5.008 800 H ALA 609 HN ALA 609 24.752 -8.544 5.110 801 HA ALA 609 HA ALA 609 25.076 -6.645 3.078 802 HB1 ALA 609 HB1 ALA 609 23.151 -8.176 3.241 803 HB2 ALA 609 HB2 ALA 609 22.658 -6.490 3.087 804 HB3 ALA 609 HB3 ALA 609 22.588 -7.290 4.658 805 H ALA 610 HN ALA 610 25.810 -4.708 3.411 806 HA ALA 610 HA ALA 610 25.607 -3.270 5.847 807 HB1 ALA 610 HB1 ALA 610 26.523 -1.387 4.600 808 HB2 ALA 610 HB2 ALA 610 26.248 -2.244 3.084 809 HB3 ALA 610 HB3 ALA 610 27.414 -2.868 4.251 810 H ILE 611 HN ILE 611 23.619 -2.870 6.555 811 HA ILE 611 HA ILE 611 21.489 -2.089 4.772 812 HB ILE 611 HB ILE 611 21.479 -2.294 7.790 813 HG12 ILE 611 HG12 ILE 611 20.561 -4.262 5.679 814 HG13 ILE 611 HG13 ILE 611 21.992 -4.439 6.689 815 HG21 ILE 611 HG21 ILE 611 19.037 -2.394 7.552 816 HG22 ILE 611 HG22 ILE 611 19.203 -2.122 5.817 817 HG23 ILE 611 HG23 ILE 611 19.691 -0.868 6.957 818 HD11 ILE 611 HD11 ILE 611 20.566 -4.546 8.672 819 HD12 ILE 611 HD12 ILE 611 20.177 -5.814 7.509 820 HD13 ILE 611 HD13 ILE 611 19.139 -4.393 7.646 821 H ILE 612 HN ILE 612 22.556 -0.166 4.019 822 HA ILE 612 HA ILE 612 22.752 2.091 5.821 823 HB ILE 612 HB ILE 612 23.076 2.009 2.816 824 HG12 ILE 612 HG12 ILE 612 25.215 1.843 4.950 825 HG13 ILE 612 HG13 ILE 612 24.628 0.470 4.020 826 HG21 ILE 612 HG21 ILE 612 22.689 4.247 3.710 827 HG22 ILE 612 HG22 ILE 612 24.347 4.081 3.133 828 HG23 ILE 612 HG23 ILE 612 24.005 4.024 4.862 829 HD11 ILE 612 HD11 ILE 612 26.016 2.893 2.900 830 HD12 ILE 612 HD12 ILE 612 25.435 1.512 1.969 831 HD13 ILE 612 HD13 ILE 612 26.734 1.301 3.145 832 H GLN 613 HN GLN 613 20.547 2.254 6.462 833 HA GLN 613 HA GLN 613 18.704 3.141 4.342 834 HB2 GLN 613 HB2 GLN 613 18.119 1.885 7.024 835 HB3 GLN 613 HB3 GLN 613 16.886 2.551 5.962 836 HG2 GLN 613 HG2 GLN 613 17.494 0.938 4.237 837 HG3 GLN 613 HG3 GLN 613 18.741 0.275 5.292 838 HE21 GLN 613 HE21 GLN 613 17.069 0.578 7.676 839 HE22 GLN 613 HE22 GLN 613 15.893 -0.685 7.593 840 H ASP 614 HN ASP 614 20.663 4.377 6.645 841 HA ASP 614 HA ASP 614 19.101 6.300 7.957 842 HB2 ASP 614 HB2 ASP 614 21.400 5.947 8.634 843 HB3 ASP 614 HB3 ASP 614 21.984 6.450 7.050 844 H ILE 615 HN ILE 615 20.944 6.568 4.935 845 HA ILE 615 HA ILE 615 19.770 9.054 4.195 846 HB ILE 615 HB ILE 615 20.703 8.594 1.950 847 HG12 ILE 615 HG12 ILE 615 21.734 6.062 3.242 848 HG13 ILE 615 HG13 ILE 615 20.482 6.133 2.004 849 HG21 ILE 615 HG21 ILE 615 23.048 8.731 2.641 850 HG22 ILE 615 HG22 ILE 615 22.594 8.215 4.265 851 HG23 ILE 615 HG23 ILE 615 22.009 9.753 3.633 852 HD11 ILE 615 HD11 ILE 615 22.064 7.068 0.438 853 HD12 ILE 615 HD12 ILE 615 22.652 5.532 1.080 854 HD13 ILE 615 HD13 ILE 615 23.316 7.054 1.677 855 H HIS 616 HN HIS 616 17.987 9.456 2.943 856 HA HIS 616 HA HIS 616 16.047 7.331 2.888 857 HB2 HIS 616 HB2 HIS 616 15.872 10.226 2.046 858 HB3 HIS 616 HB3 HIS 616 14.507 9.107 2.015 859 HD1 HIS 616 HD1 HIS 616 15.805 11.646 4.069 860 HD2 HIS 616 HD2 HIS 616 14.363 7.825 4.816 861 HE1 HIS 616 HE1 HIS 616 15.185 11.622 6.504 862 HE2 HIS 616 HE2 HIS 616 14.548 9.233 6.975 863 H SER 617 HN SER 617 18.421 8.305 0.799 864 HA SER 617 HA SER 617 17.150 7.434 -1.631 865 HB2 SER 617 HB2 SER 617 20.114 7.618 -1.033 866 HB3 SER 617 HB3 SER 617 19.335 7.671 -2.614 867 HG SER 617 HG SER 617 18.411 9.662 -2.035 868 H GLN 618 HN GLN 618 18.584 6.012 1.117 869 HA GLN 618 HA GLN 618 19.326 3.943 1.682 870 HB2 GLN 618 HB2 GLN 618 16.896 3.263 0.028 871 HB3 GLN 618 HB3 GLN 618 17.695 2.150 1.132 872 HG2 GLN 618 HG2 GLN 618 17.254 3.770 2.972 873 HG3 GLN 618 HG3 GLN 618 16.311 4.728 1.836 874 HE21 GLN 618 HE21 GLN 618 15.328 2.285 0.501 875 HE22 GLN 618 HE22 GLN 618 14.106 1.653 1.548 876 H ARG 619 HN ARG 619 21.229 4.334 0.314 877 HA ARG 619 HA ARG 619 21.393 2.557 -2.006 878 HB2 ARG 619 HB2 ARG 619 23.373 4.577 -0.925 879 HB3 ARG 619 HB3 ARG 619 23.612 3.603 -2.367 880 HG2 ARG 619 HG2 ARG 619 21.721 4.698 -3.439 881 HG3 ARG 619 HG3 ARG 619 21.439 5.652 -1.979 882 HD2 ARG 619 HD2 ARG 619 23.658 6.650 -2.207 883 HD3 ARG 619 HD3 ARG 619 23.939 5.699 -3.662 884 HE ARG 619 HE ARG 619 21.624 7.130 -4.119 885 HH11 ARG 619 HH11 ARG 619 24.974 7.843 -3.416 886 HH12 ARG 619 HH12 ARG 619 24.965 9.355 -4.266 887 HH21 ARG 619 HH21 ARG 619 21.605 9.125 -5.241 888 HH22 ARG 619 HH22 ARG 619 23.049 10.083 -5.303 889 H GLU 620 HN GLU 620 21.102 0.794 -0.403 890 HA GLU 620 HA GLU 620 23.454 0.283 1.257 891 HB2 GLU 620 HB2 GLU 620 21.862 -1.631 2.089 892 HB3 GLU 620 HB3 GLU 620 21.648 0.020 2.643 893 HG2 GLU 620 HG2 GLU 620 19.519 -0.981 2.122 894 HG3 GLU 620 HG3 GLU 620 19.862 0.343 1.012 895 H ARG 621 HN ARG 621 23.878 -2.200 1.509 896 HA ARG 621 HA ARG 621 23.493 -3.713 -0.914 897 HB2 ARG 621 HB2 ARG 621 25.942 -4.165 -1.190 898 HB3 ARG 621 HB3 ARG 621 25.451 -2.531 -1.602 899 HG2 ARG 621 HG2 ARG 621 26.325 -1.701 0.494 900 HG3 ARG 621 HG3 ARG 621 26.737 -3.341 0.999 901 HD2 ARG 621 HD2 ARG 621 28.221 -3.498 -1.003 902 HD3 ARG 621 HD3 ARG 621 27.903 -1.791 -1.305 903 HE ARG 621 HE ARG 621 28.848 -2.242 1.347 904 HH11 ARG 621 HH11 ARG 621 29.867 -1.961 -1.980 905 HH12 ARG 621 HH12 ARG 621 31.474 -1.446 -1.583 906 HH21 ARG 621 HH21 ARG 621 30.961 -1.568 1.889 907 HH22 ARG 621 HH22 ARG 621 32.096 -1.217 0.624 Start of MODEL 8 1 H1 GLY 510 HT1 GLY 510 11.640 -7.220 -1.062 2 H2 GLY 510 HT2 GLY 510 12.538 -8.189 -2.112 3 H3 GLY 510 HT3 GLY 510 10.868 -8.406 -1.987 4 HA2 GLY 510 HA1 GLY 510 11.371 -7.240 -4.014 5 HA3 GLY 510 HA2 GLY 510 10.490 -6.203 -2.904 6 H ALA 511 HN ALA 511 12.192 -5.371 -5.072 7 HA ALA 511 HA ALA 511 14.744 -4.638 -3.956 8 HB1 ALA 511 HB1 ALA 511 15.201 -3.649 -6.116 9 HB2 ALA 511 HB2 ALA 511 13.509 -3.823 -6.580 10 HB3 ALA 511 HB3 ALA 511 14.504 -5.256 -6.320 11 H MET 512 HN MET 512 11.646 -3.092 -4.394 12 HA MET 512 HA MET 512 12.804 -0.640 -3.247 13 HB2 MET 512 HB2 MET 512 10.632 -0.842 -5.337 14 HB3 MET 512 HB3 MET 512 11.050 0.640 -4.488 15 HG2 MET 512 HG2 MET 512 13.334 0.480 -5.404 16 HG3 MET 512 HG3 MET 512 12.841 -0.947 -6.311 17 HE1 MET 512 HE1 MET 512 10.797 2.392 -5.610 18 HE2 MET 512 HE2 MET 512 11.251 3.324 -7.037 19 HE3 MET 512 HE3 MET 512 12.472 2.896 -5.839 20 H ALA 513 HN ALA 513 12.218 -0.759 -1.189 21 HA ALA 513 HA ALA 513 9.377 -0.580 -0.601 22 HB1 ALA 513 HB1 ALA 513 9.487 -2.164 1.230 23 HB2 ALA 513 HB2 ALA 513 11.178 -2.497 0.863 24 HB3 ALA 513 HB3 ALA 513 9.920 -2.956 -0.284 25 H GLN 514 HN GLN 514 8.956 0.360 1.495 26 HA GLN 514 HA GLN 514 9.275 1.896 3.126 27 HB2 GLN 514 HB2 GLN 514 12.222 1.238 2.909 28 HB3 GLN 514 HB3 GLN 514 11.428 2.061 4.248 29 HG2 GLN 514 HG2 GLN 514 10.966 -0.782 3.380 30 HG3 GLN 514 HG3 GLN 514 11.864 -0.256 4.800 31 HE21 GLN 514 HE21 GLN 514 9.413 -1.903 4.403 32 HE22 GLN 514 HE22 GLN 514 8.207 -1.179 5.397 33 H ARG 515 HN ARG 515 12.298 2.328 1.308 34 HA ARG 515 HA ARG 515 13.138 4.002 0.042 35 HB2 ARG 515 HB2 ARG 515 10.247 4.822 -0.235 36 HB3 ARG 515 HB3 ARG 515 11.574 5.479 -1.181 37 HG2 ARG 515 HG2 ARG 515 10.917 2.543 -1.128 38 HG3 ARG 515 HG3 ARG 515 10.214 3.670 -2.293 39 HD2 ARG 515 HD2 ARG 515 13.170 3.196 -1.900 40 HD3 ARG 515 HD3 ARG 515 12.193 2.491 -3.188 41 HE ARG 515 HE ARG 515 11.717 5.063 -3.587 42 HH11 ARG 515 HH11 ARG 515 14.764 3.428 -2.962 43 HH12 ARG 515 HH12 ARG 515 15.704 4.623 -3.809 44 HH21 ARG 515 HH21 ARG 515 12.953 6.604 -4.704 45 HH22 ARG 515 HH22 ARG 515 14.670 6.408 -4.831 46 H LYS 516 HN LYS 516 10.481 5.549 1.850 47 HA LYS 516 HA LYS 516 12.260 7.705 2.650 48 HB2 LYS 516 HB2 LYS 516 9.330 7.138 3.106 49 HB3 LYS 516 HB3 LYS 516 10.158 8.460 3.915 50 HG2 LYS 516 HG2 LYS 516 9.897 8.115 0.931 51 HG3 LYS 516 HG3 LYS 516 8.951 9.220 1.934 52 HD2 LYS 516 HD2 LYS 516 11.054 10.338 2.610 53 HD3 LYS 516 HD3 LYS 516 11.935 9.284 1.508 54 HE2 LYS 516 HE2 LYS 516 11.581 11.408 0.451 55 HE3 LYS 516 HE3 LYS 516 10.607 10.192 -0.366 56 HZ1 LYS 516 HZ1 LYS 516 9.611 12.129 1.653 57 HZ2 LYS 516 HZ2 LYS 516 8.667 10.986 0.845 58 HZ3 LYS 516 HZ3 LYS 516 9.385 12.250 -0.016 59 H GLY 517 HN GLY 517 12.461 8.266 4.974 60 HA2 GLY 517 HA2 GLY 517 13.282 5.915 6.411 61 HA3 GLY 517 HA1 GLY 517 13.488 7.578 6.932 62 H ALA 518 HN ALA 518 10.387 6.424 5.982 63 HA ALA 518 HA ALA 518 9.516 5.740 8.638 64 HB1 ALA 518 HB1 ALA 518 9.412 8.189 8.741 65 HB2 ALA 518 HB2 ALA 518 7.798 7.479 8.789 66 HB3 ALA 518 HB3 ALA 518 8.397 8.208 7.299 67 H GLY 519 HN GLY 519 7.699 7.144 5.945 68 HA2 GLY 519 HA2 GLY 519 6.289 6.177 4.395 69 HA3 GLY 519 HA1 GLY 519 6.933 4.607 4.851 70 H ARG 520 HN ARG 520 4.270 4.823 4.330 71 HA ARG 520 HA ARG 520 3.210 4.080 6.924 72 HB2 ARG 520 HB2 ARG 520 1.967 6.232 5.228 73 HB3 ARG 520 HB3 ARG 520 1.023 5.292 6.372 74 HG2 ARG 520 HG2 ARG 520 2.954 6.069 8.018 75 HG3 ARG 520 HG3 ARG 520 3.054 7.391 6.852 76 HD2 ARG 520 HD2 ARG 520 1.532 8.005 8.622 77 HD3 ARG 520 HD3 ARG 520 0.623 7.765 7.129 78 HE ARG 520 HE ARG 520 0.644 5.349 8.534 79 HH11 ARG 520 HH11 ARG 520 -0.695 8.563 8.830 80 HH12 ARG 520 HH12 ARG 520 -2.040 8.050 9.791 81 HH21 ARG 520 HH21 ARG 520 -1.133 4.669 9.808 82 HH22 ARG 520 HH22 ARG 520 -2.292 5.848 10.344 83 H VAL 521 HN VAL 521 1.366 2.794 6.831 84 HA VAL 521 HA VAL 521 0.973 1.442 4.256 85 HB VAL 521 HB VAL 521 0.596 0.410 7.074 86 HG11 VAL 521 HG11 VAL 521 0.105 -1.007 4.454 87 HG12 VAL 521 HG12 VAL 521 -1.134 -0.493 5.598 88 HG13 VAL 521 HG13 VAL 521 0.026 -1.739 6.056 89 HG21 VAL 521 HG21 VAL 521 2.367 -1.183 6.404 90 HG22 VAL 521 HG22 VAL 521 2.906 0.496 6.425 91 HG23 VAL 521 HG23 VAL 521 2.545 -0.293 4.891 92 H VAL 522 HN VAL 522 -1.009 1.316 3.403 93 HA VAL 522 HA VAL 522 -3.185 2.640 4.850 94 HB VAL 522 HB VAL 522 -2.902 1.933 1.925 95 HG11 VAL 522 HG11 VAL 522 -5.210 1.749 2.571 96 HG12 VAL 522 HG12 VAL 522 -4.958 3.199 1.600 97 HG13 VAL 522 HG13 VAL 522 -5.140 3.330 3.350 98 HG21 VAL 522 HG21 VAL 522 -1.512 3.809 2.657 99 HG22 VAL 522 HG22 VAL 522 -2.940 4.591 3.336 100 HG23 VAL 522 HG23 VAL 522 -2.816 4.345 1.595 101 H HIS 523 HN HIS 523 -4.925 1.574 5.516 102 HA HIS 523 HA HIS 523 -5.115 -1.301 4.911 103 HB2 HIS 523 HB2 HIS 523 -4.816 -0.631 7.311 104 HB3 HIS 523 HB3 HIS 523 -6.345 0.229 7.222 105 HD1 HIS 523 HD1 HIS 523 -7.309 -1.277 9.088 106 HD2 HIS 523 HD2 HIS 523 -6.144 -3.348 5.679 107 HE1 HIS 523 HE1 HIS 523 -8.221 -3.599 9.367 108 HE2 HIS 523 HE2 HIS 523 -7.297 -4.886 7.415 109 H ILE 524 HN ILE 524 -6.676 -1.829 3.536 110 HA ILE 524 HA ILE 524 -8.703 0.206 2.955 111 HB ILE 524 HB ILE 524 -7.717 -2.111 1.291 112 HG12 ILE 524 HG12 ILE 524 -7.412 0.878 0.940 113 HG13 ILE 524 HG13 ILE 524 -6.157 -0.205 1.528 114 HG21 ILE 524 HG21 ILE 524 -9.083 -1.065 -0.525 115 HG22 ILE 524 HG22 ILE 524 -9.845 -0.061 0.710 116 HG23 ILE 524 HG23 ILE 524 -10.019 -1.816 0.766 117 HD11 ILE 524 HD11 ILE 524 -5.877 0.412 -0.828 118 HD12 ILE 524 HD12 ILE 524 -7.426 -0.352 -1.194 119 HD13 ILE 524 HD13 ILE 524 -6.080 -1.323 -0.598 120 H CYS 525 HN CYS 525 -10.772 -0.116 3.263 121 HA CYS 525 HA CYS 525 -11.592 -2.709 4.393 122 HB2 CYS 525 HB2 CYS 525 -12.874 -0.039 4.964 123 HB3 CYS 525 HB3 CYS 525 -13.041 -1.537 5.869 124 HG CYS 525 HG CYS 525 -10.088 0.171 5.673 125 H ASN 526 HN ASN 526 -14.035 -2.991 4.264 126 HA ASN 526 HA ASN 526 -15.960 -3.241 3.096 127 HB2 ASN 526 HB2 ASN 526 -15.039 -0.722 1.707 128 HB3 ASN 526 HB3 ASN 526 -16.599 -1.482 1.420 129 HD21 ASN 526 HD21 ASN 526 -17.796 0.218 2.149 130 HD22 ASN 526 HD22 ASN 526 -17.860 0.691 3.812 131 H LEU 527 HN LEU 527 -13.389 -4.378 2.254 132 HA LEU 527 HA LEU 527 -13.518 -4.566 -0.620 133 HB2 LEU 527 HB2 LEU 527 -11.829 -5.931 1.474 134 HB3 LEU 527 HB1 LEU 527 -11.705 -6.304 -0.236 135 HG LEU 527 HG LEU 527 -11.271 -3.541 0.891 136 HD11 LEU 527 HD11 LEU 527 -8.895 -3.943 0.649 137 HD12 LEU 527 HD12 LEU 527 -9.206 -5.603 0.134 138 HD13 LEU 527 HD13 LEU 527 -9.596 -5.103 1.780 139 HD21 LEU 527 HD21 LEU 527 -10.145 -3.209 -1.285 140 HD22 LEU 527 HD22 LEU 527 -11.870 -3.537 -1.430 141 HD23 LEU 527 HD23 LEU 527 -10.698 -4.808 -1.777 142 HA PRO 528 HA PRO 528 -16.256 -8.134 -0.591 143 HB2 PRO 528 HB2 PRO 528 -15.924 -8.752 -3.227 144 HB3 PRO 528 HB3 PRO 528 -17.027 -7.499 -2.652 145 HG2 PRO 528 HG2 PRO 528 -14.296 -7.230 -3.820 146 HG3 PRO 528 HG3 PRO 528 -15.722 -6.204 -4.053 147 HD2 PRO 528 HD2 PRO 528 -13.650 -5.557 -2.397 148 HD3 PRO 528 HD3 PRO 528 -15.319 -5.003 -2.138 149 H GLU 529 HN GLU 529 -15.763 -10.171 -0.073 150 HA GLU 529 HA GLU 529 -13.070 -11.009 0.071 151 HB2 GLU 529 HB2 GLU 529 -14.052 -13.188 0.831 152 HB3 GLU 529 HB3 GLU 529 -14.592 -11.783 1.739 153 HG2 GLU 529 HG2 GLU 529 -16.687 -11.767 0.558 154 HG3 GLU 529 HG3 GLU 529 -16.149 -13.083 -0.483 155 H GLY 530 HN GLY 530 -11.835 -11.908 -1.416 156 HA2 GLY 530 HA2 GLY 530 -11.171 -13.483 -2.968 157 HA3 GLY 530 HA1 GLY 530 -12.816 -14.084 -3.008 158 H SER 531 HN SER 531 -13.589 -11.134 -3.636 159 HA SER 531 HA SER 531 -13.550 -11.566 -6.490 160 HB2 SER 531 HB2 SER 531 -15.549 -10.692 -5.177 161 HB3 SER 531 HB3 SER 531 -14.674 -9.167 -5.035 162 HG SER 531 HG SER 531 -15.258 -8.703 -6.987 163 H CYS 532 HN CYS 532 -12.063 -9.427 -4.157 164 HA CYS 532 HA CYS 532 -10.919 -7.605 -6.004 165 HB2 CYS 532 HB2 CYS 532 -9.932 -8.334 -3.239 166 HB3 CYS 532 HB3 CYS 532 -9.550 -6.869 -4.137 167 HG CYS 532 HG CYS 532 -12.302 -7.643 -2.362 168 H THR 533 HN THR 533 -8.917 -7.596 -6.970 169 HA THR 533 HA THR 533 -7.367 -10.078 -6.738 170 HB THR 533 HB THR 533 -6.337 -9.522 -8.858 171 HG1 THR 533 HG1 THR 533 -7.998 -7.254 -9.183 172 HG21 THR 533 HG21 THR 533 -9.327 -9.123 -8.989 173 HG22 THR 533 HG22 THR 533 -8.486 -10.673 -8.981 174 HG23 THR 533 HG23 THR 533 -8.292 -9.572 -10.344 175 H GLU 534 HN GLU 534 -4.934 -9.714 -6.954 176 HA GLU 534 HA GLU 534 -4.004 -7.940 -4.983 177 HB2 GLU 534 HB2 GLU 534 -2.430 -9.156 -7.266 178 HB3 GLU 534 HB3 GLU 534 -1.767 -8.513 -5.768 179 HG2 GLU 534 HG2 GLU 534 -2.808 -10.262 -4.496 180 HG3 GLU 534 HG3 GLU 534 -3.633 -10.865 -5.931 181 H ASN 535 HN ASN 535 -4.381 -7.707 -8.432 182 HA ASN 535 HA ASN 535 -2.752 -5.430 -8.840 183 HB2 ASN 535 HB2 ASN 535 -4.975 -6.570 -10.545 184 HB3 ASN 535 HB3 ASN 535 -3.837 -5.336 -11.068 185 HD21 ASN 535 HD21 ASN 535 -3.027 -6.579 -12.724 186 HD22 ASN 535 HD22 ASN 535 -2.017 -7.957 -12.451 187 H ASP 536 HN ASP 536 -6.262 -5.829 -8.392 188 HA ASP 536 HA ASP 536 -6.985 -3.204 -9.074 189 HB2 ASP 536 HB2 ASP 536 -8.340 -5.190 -7.251 190 HB3 ASP 536 HB3 ASP 536 -9.032 -3.622 -7.649 191 H VAL 537 HN VAL 537 -6.259 -4.615 -5.922 192 HA VAL 537 HA VAL 537 -6.886 -2.345 -4.393 193 HB VAL 537 HB VAL 537 -4.960 -4.589 -3.765 194 HG11 VAL 537 HG11 VAL 537 -5.232 -4.005 -1.451 195 HG12 VAL 537 HG12 VAL 537 -6.346 -2.708 -1.876 196 HG13 VAL 537 HG13 VAL 537 -4.648 -2.598 -2.341 197 HG21 VAL 537 HG21 VAL 537 -6.857 -5.545 -2.526 198 HG22 VAL 537 HG22 VAL 537 -7.182 -5.415 -4.254 199 HG23 VAL 537 HG23 VAL 537 -7.888 -4.247 -3.134 200 H ILE 538 HN ILE 538 -3.840 -3.464 -5.800 201 HA ILE 538 HA ILE 538 -2.225 -1.364 -4.792 202 HB ILE 538 HB ILE 538 -1.850 -3.077 -7.255 203 HG12 ILE 538 HG12 ILE 538 -0.616 -3.366 -4.512 204 HG13 ILE 538 HG13 ILE 538 -2.038 -4.260 -5.040 205 HG21 ILE 538 HG21 ILE 538 0.125 -1.352 -5.765 206 HG22 ILE 538 HG22 ILE 538 -0.492 -1.072 -7.393 207 HG23 ILE 538 HG23 ILE 538 0.527 -2.472 -7.065 208 HD11 ILE 538 HD11 ILE 538 -0.721 -5.269 -6.834 209 HD12 ILE 538 HD12 ILE 538 -0.054 -5.613 -5.238 210 HD13 ILE 538 HD13 ILE 538 0.703 -4.395 -6.268 211 H ASN 539 HN ASN 539 -3.958 -1.840 -7.843 212 HA ASN 539 HA ASN 539 -3.090 0.478 -9.152 213 HB2 ASN 539 HB2 ASN 539 -5.549 -1.227 -9.468 214 HB3 ASN 539 HB3 ASN 539 -5.304 0.216 -10.446 215 HD21 ASN 539 HD21 ASN 539 -5.457 -2.574 -11.263 216 HD22 ASN 539 HD22 ASN 539 -3.971 -2.912 -12.080 217 H LEU 540 HN LEU 540 -5.566 0.014 -6.737 218 HA LEU 540 HA LEU 540 -6.810 2.555 -7.150 219 HB2 LEU 540 HB2 LEU 540 -6.910 0.635 -4.838 220 HB3 LEU 540 HB1 LEU 540 -7.837 2.122 -4.908 221 HG LEU 540 HG LEU 540 -8.101 -0.268 -6.722 222 HD11 LEU 540 HD11 LEU 540 -10.366 -0.326 -5.812 223 HD12 LEU 540 HD12 LEU 540 -9.975 1.035 -4.761 224 HD13 LEU 540 HD13 LEU 540 -9.146 -0.511 -4.552 225 HD21 LEU 540 HD21 LEU 540 -9.358 2.460 -6.905 226 HD22 LEU 540 HD22 LEU 540 -9.987 1.038 -7.731 227 HD23 LEU 540 HD23 LEU 540 -8.378 1.642 -8.119 228 H GLY 541 HN GLY 541 -4.185 1.405 -5.111 229 HA2 GLY 541 HA2 GLY 541 -4.127 3.775 -3.491 230 HA3 GLY 541 HA1 GLY 541 -2.891 2.527 -3.552 231 H LEU 542 HN LEU 542 -2.333 2.612 -6.276 232 HA LEU 542 HA LEU 542 -0.192 4.302 -6.322 233 HB2 LEU 542 HB2 LEU 542 -1.751 3.318 -8.691 234 HB3 LEU 542 HB1 LEU 542 -0.152 4.014 -8.779 235 HG LEU 542 HG LEU 542 -0.796 1.499 -7.246 236 HD11 LEU 542 HD11 LEU 542 0.244 0.307 -9.102 237 HD12 LEU 542 HD12 LEU 542 0.391 1.819 -9.997 238 HD13 LEU 542 HD13 LEU 542 -1.204 1.165 -9.627 239 HD21 LEU 542 HD21 LEU 542 1.815 2.714 -8.122 240 HD22 LEU 542 HD22 LEU 542 1.614 1.195 -7.250 241 HD23 LEU 542 HD23 LEU 542 1.176 2.719 -6.480 242 HA PRO 543 HA PRO 543 -2.829 7.382 -9.269 243 HB2 PRO 543 HB2 PRO 543 -5.088 7.426 -7.275 244 HB3 PRO 543 HB3 PRO 543 -5.114 7.799 -9.013 245 HG2 PRO 543 HG2 PRO 543 -5.939 5.450 -8.210 246 HG3 PRO 543 HG3 PRO 543 -4.843 5.542 -9.605 247 HD2 PRO 543 HD2 PRO 543 -4.258 4.756 -6.780 248 HD3 PRO 543 HD3 PRO 543 -3.616 4.087 -8.292 249 H PHE 544 HN PHE 544 -3.015 7.540 -5.672 250 HA PHE 544 HA PHE 544 -2.044 10.303 -5.982 251 HB2 PHE 544 HB2 PHE 544 -3.656 9.089 -3.755 252 HB3 PHE 544 HB1 PHE 544 -2.888 10.671 -3.639 253 HD1 PHE 544 HD1 PHE 544 -5.506 8.714 -5.295 254 HD2 PHE 544 HD2 PHE 544 -3.725 12.553 -4.865 255 HE1 PHE 544 HE1 PHE 544 -7.423 9.728 -6.452 256 HE2 PHE 544 HE2 PHE 544 -5.642 13.574 -6.015 257 HZ PHE 544 HZ PHE 544 -7.494 12.161 -6.813 258 H GLY 545 HN GLY 545 -1.233 7.223 -4.714 259 HA2 GLY 545 HA2 GLY 545 1.379 8.321 -3.982 260 HA3 GLY 545 HA1 GLY 545 0.502 7.384 -2.776 261 H LYS 546 HN LYS 546 3.088 6.983 -4.344 262 HA LYS 546 HA LYS 546 2.617 4.698 -6.001 263 HB2 LYS 546 HB2 LYS 546 4.497 6.203 -6.443 264 HB3 LYS 546 HB3 LYS 546 5.197 5.807 -4.880 265 HG2 LYS 546 HG2 LYS 546 6.347 4.602 -6.623 266 HG3 LYS 546 HG3 LYS 546 5.448 3.466 -5.610 267 HD2 LYS 546 HD2 LYS 546 3.657 3.404 -7.279 268 HD3 LYS 546 HD3 LYS 546 4.560 4.532 -8.291 269 HE2 LYS 546 HE2 LYS 546 5.516 1.799 -7.450 270 HE3 LYS 546 HE3 LYS 546 4.800 2.183 -9.013 271 HZ1 LYS 546 HZ1 LYS 546 6.620 3.696 -9.448 272 HZ2 LYS 546 HZ2 LYS 546 7.217 2.149 -9.107 273 HZ3 LYS 546 HZ3 LYS 546 7.300 3.364 -7.936 274 H VAL 547 HN VAL 547 2.750 2.618 -5.528 275 HA VAL 547 HA VAL 547 2.962 1.802 -2.754 276 HB VAL 547 HB VAL 547 2.029 0.322 -5.221 277 HG11 VAL 547 HG11 VAL 547 1.960 -0.539 -2.335 278 HG12 VAL 547 HG12 VAL 547 2.988 -1.215 -3.597 279 HG13 VAL 547 HG13 VAL 547 1.236 -1.408 -3.689 280 HG21 VAL 547 HG21 VAL 547 0.534 2.125 -4.533 281 HG22 VAL 547 HG22 VAL 547 0.475 1.459 -2.901 282 HG23 VAL 547 HG23 VAL 547 -0.197 0.546 -4.252 283 H THR 548 HN THR 548 4.564 0.541 -2.002 284 HA THR 548 HA THR 548 6.741 -0.174 -3.833 285 HB THR 548 HB THR 548 7.977 -0.592 -1.693 286 HG1 THR 548 HG1 THR 548 6.971 0.003 0.236 287 HG21 THR 548 HG21 THR 548 6.768 2.156 -2.045 288 HG22 THR 548 HG22 THR 548 8.229 1.551 -2.826 289 HG23 THR 548 HG23 THR 548 8.199 1.798 -1.080 290 H ASN 549 HN ASN 549 4.591 -1.556 -1.398 291 HA ASN 549 HA ASN 549 4.642 -4.141 -2.605 292 HB2 ASN 549 HB2 ASN 549 5.682 -5.417 -0.909 293 HB3 ASN 549 HB3 ASN 549 6.785 -4.081 -1.209 294 HD21 ASN 549 HD21 ASN 549 6.957 -2.437 0.355 295 HD22 ASN 549 HD22 ASN 549 6.450 -2.689 1.987 296 H TYR 550 HN TYR 550 3.320 -5.702 -1.120 297 HA TYR 550 HA TYR 550 1.283 -4.182 0.323 298 HB2 TYR 550 HB2 TYR 550 -0.522 -5.240 -0.983 299 HB3 TYR 550 HB3 TYR 550 0.508 -4.231 -1.993 300 HD1 TYR 550 HD1 TYR 550 -0.628 -7.623 -1.307 301 HD2 TYR 550 HD2 TYR 550 2.058 -5.259 -3.603 302 HE1 TYR 550 HE1 TYR 550 -0.271 -9.519 -2.826 303 HE2 TYR 550 HE2 TYR 550 2.423 -7.151 -5.128 304 HH TYR 550 HH TYR 550 0.471 -10.030 -4.992 305 H ILE 551 HN ILE 551 0.057 -5.381 1.771 306 HA ILE 551 HA ILE 551 0.582 -8.274 1.866 307 HB ILE 551 HB ILE 551 0.087 -6.413 4.207 308 HG12 ILE 551 HG12 ILE 551 2.353 -8.300 3.535 309 HG13 ILE 551 HG13 ILE 551 2.423 -6.543 3.511 310 HG21 ILE 551 HG21 ILE 551 0.146 -9.431 4.195 311 HG22 ILE 551 HG22 ILE 551 -1.278 -8.423 4.455 312 HG23 ILE 551 HG23 ILE 551 0.040 -8.404 5.626 313 HD11 ILE 551 HD11 ILE 551 2.024 -6.531 5.946 314 HD12 ILE 551 HD12 ILE 551 3.497 -7.386 5.493 315 HD13 ILE 551 HD13 ILE 551 2.050 -8.294 5.932 316 H LEU 552 HN LEU 552 -1.167 -9.404 1.406 317 HA LEU 552 HA LEU 552 -3.756 -8.042 1.610 318 HB2 LEU 552 HB2 LEU 552 -2.702 -10.071 -0.331 319 HB3 LEU 552 HB1 LEU 552 -4.425 -9.814 -0.131 320 HG LEU 552 HG LEU 552 -2.510 -7.600 -0.856 321 HD11 LEU 552 HD11 LEU 552 -4.271 -9.234 -2.685 322 HD12 LEU 552 HD12 LEU 552 -2.515 -9.365 -2.585 323 HD13 LEU 552 HD13 LEU 552 -3.255 -7.867 -3.146 324 HD21 LEU 552 HD21 LEU 552 -4.586 -6.512 -1.610 325 HD22 LEU 552 HD22 LEU 552 -4.557 -6.830 0.123 326 HD23 LEU 552 HD23 LEU 552 -5.508 -7.865 -0.946 327 H MET 553 HN MET 553 -4.806 -8.696 3.348 328 HA MET 553 HA MET 553 -4.680 -11.548 4.034 329 HB2 MET 553 HB2 MET 553 -5.618 -9.228 5.737 330 HB3 MET 553 HB3 MET 553 -5.505 -10.904 6.252 331 HG2 MET 553 HG2 MET 553 -3.080 -10.830 5.952 332 HG3 MET 553 HG3 MET 553 -3.198 -9.148 5.443 333 HE1 MET 553 HE1 MET 553 -1.532 -8.228 7.220 334 HE2 MET 553 HE2 MET 553 -1.208 -9.895 7.697 335 HE3 MET 553 HE3 MET 553 -1.562 -8.679 8.924 336 H LYS 554 HN LYS 554 -6.136 -12.140 2.409 337 HA LYS 554 HA LYS 554 -8.715 -11.004 2.119 338 HB2 LYS 554 HB2 LYS 554 -7.724 -13.764 1.358 339 HB3 LYS 554 HB3 LYS 554 -9.268 -13.087 0.871 340 HG2 LYS 554 HG2 LYS 554 -8.010 -12.693 -1.001 341 HG3 LYS 554 HG3 LYS 554 -7.780 -11.174 -0.131 342 HD2 LYS 554 HD2 LYS 554 -5.630 -11.870 0.653 343 HD3 LYS 554 HD3 LYS 554 -5.873 -13.506 0.036 344 HE2 LYS 554 HE2 LYS 554 -5.691 -11.004 -1.646 345 HE3 LYS 554 HE3 LYS 554 -4.390 -12.168 -1.407 346 HZ1 LYS 554 HZ1 LYS 554 -6.990 -12.665 -2.753 347 HZ2 LYS 554 HZ2 LYS 554 -5.854 -13.868 -2.416 348 HZ3 LYS 554 HZ3 LYS 554 -5.463 -12.614 -3.480 349 H SER 555 HN SER 555 -7.307 -13.394 4.149 350 HA SER 555 HA SER 555 -9.525 -14.657 5.228 351 HB2 SER 555 HB2 SER 555 -8.029 -15.070 7.181 352 HB3 SER 555 HB3 SER 555 -7.276 -15.439 5.629 353 HG SER 555 HG SER 555 -6.419 -13.771 7.507 354 H THR 556 HN THR 556 -8.402 -11.383 5.728 355 HA THR 556 HA THR 556 -10.280 -11.129 7.985 356 HB THR 556 HB THR 556 -9.140 -9.001 8.521 357 HG1 THR 556 HG1 THR 556 -7.873 -9.533 6.128 358 HG21 THR 556 HG21 THR 556 -7.047 -9.975 9.370 359 HG22 THR 556 HG22 THR 556 -7.296 -11.385 8.340 360 HG23 THR 556 HG23 THR 556 -8.428 -11.037 9.648 361 H ASN 557 HN ASN 557 -10.316 -10.950 4.840 362 HA ASN 557 HA ASN 557 -11.344 -9.816 3.180 363 HB2 ASN 557 HB2 ASN 557 -13.220 -10.403 4.874 364 HB3 ASN 557 HB3 ASN 557 -13.193 -8.685 5.262 365 HD21 ASN 557 HD21 ASN 557 -15.269 -8.407 4.500 366 HD22 ASN 557 HD22 ASN 557 -15.641 -8.401 2.810 367 H GLN 558 HN GLN 558 -9.115 -8.521 4.143 368 HA GLN 558 HA GLN 558 -9.754 -5.709 3.722 369 HB2 GLN 558 HB2 GLN 558 -8.274 -6.737 6.151 370 HB3 GLN 558 HB3 GLN 558 -8.349 -5.049 5.677 371 HG2 GLN 558 HG2 GLN 558 -10.822 -6.654 6.243 372 HG3 GLN 558 HG3 GLN 558 -9.917 -5.837 7.518 373 HE21 GLN 558 HE21 GLN 558 -9.959 -3.621 7.644 374 HE22 GLN 558 HE22 GLN 558 -11.072 -2.649 6.753 375 H ALA 559 HN ALA 559 -7.689 -4.427 3.431 376 HA ALA 559 HA ALA 559 -5.498 -6.135 2.461 377 HB1 ALA 559 HB1 ALA 559 -6.548 -3.750 0.957 378 HB2 ALA 559 HB2 ALA 559 -6.974 -5.420 0.589 379 HB3 ALA 559 HB3 ALA 559 -5.298 -4.882 0.436 380 H PHE 560 HN PHE 560 -3.436 -5.248 2.498 381 HA PHE 560 HA PHE 560 -3.144 -2.645 3.842 382 HB2 PHE 560 HB2 PHE 560 -1.389 -5.089 4.183 383 HB3 PHE 560 HB1 PHE 560 -1.113 -3.523 4.931 384 HD1 PHE 560 HD1 PHE 560 -3.370 -6.440 4.851 385 HD2 PHE 560 HD2 PHE 560 -2.205 -2.914 6.928 386 HE1 PHE 560 HE1 PHE 560 -4.734 -7.125 6.779 387 HE2 PHE 560 HE2 PHE 560 -3.562 -3.599 8.860 388 HZ PHE 560 HZ PHE 560 -4.810 -5.723 8.793 389 H LEU 561 HN LEU 561 -1.860 -1.225 2.797 390 HA LEU 561 HA LEU 561 -0.277 -2.211 0.515 391 HB2 LEU 561 HB2 LEU 561 -2.633 -1.298 0.015 392 HB3 LEU 561 HB1 LEU 561 -1.974 0.268 0.429 393 HG LEU 561 HG LEU 561 -0.335 0.045 -1.405 394 HD11 LEU 561 HD11 LEU 561 -0.673 -1.742 -3.064 395 HD12 LEU 561 HD12 LEU 561 -1.848 -2.497 -1.986 396 HD13 LEU 561 HD13 LEU 561 -0.158 -2.367 -1.497 397 HD21 LEU 561 HD21 LEU 561 -3.219 -0.332 -2.203 398 HD22 LEU 561 HD22 LEU 561 -1.948 0.330 -3.229 399 HD23 LEU 561 HD23 LEU 561 -2.450 1.196 -1.777 400 H GLU 562 HN GLU 562 1.745 -1.291 0.375 401 HA GLU 562 HA GLU 562 2.367 0.825 2.318 402 HB2 GLU 562 HB2 GLU 562 3.731 -1.305 2.310 403 HB3 GLU 562 HB3 GLU 562 4.340 -0.809 0.730 404 HG2 GLU 562 HG2 GLU 562 5.264 1.225 1.708 405 HG3 GLU 562 HG3 GLU 562 4.642 0.759 3.290 406 H MET 563 HN MET 563 3.164 2.751 1.752 407 HA MET 563 HA MET 563 3.457 3.271 -1.124 408 HB2 MET 563 HB2 MET 563 2.623 5.104 1.120 409 HB3 MET 563 HB3 MET 563 2.995 5.662 -0.506 410 HG2 MET 563 HG2 MET 563 0.655 5.465 -0.371 411 HG3 MET 563 HG3 MET 563 1.220 4.108 -1.342 412 HE1 MET 563 HE1 MET 563 -1.598 3.747 -0.558 413 HE2 MET 563 HE2 MET 563 -1.639 2.193 0.273 414 HE3 MET 563 HE3 MET 563 -0.637 2.396 -1.162 415 H ALA 564 HN ALA 564 5.226 4.270 -1.869 416 HA ALA 564 HA ALA 564 7.667 3.918 -0.538 417 HB1 ALA 564 HB1 ALA 564 8.646 5.170 -2.404 418 HB2 ALA 564 HB2 ALA 564 7.035 5.691 -2.897 419 HB3 ALA 564 HB3 ALA 564 7.472 3.983 -2.969 420 H TYR 565 HN TYR 565 5.379 6.417 -0.370 421 HA TYR 565 HA TYR 565 7.208 8.085 1.203 422 HB2 TYR 565 HB2 TYR 565 5.123 9.211 -0.677 423 HB3 TYR 565 HB3 TYR 565 6.379 10.091 0.184 424 HD1 TYR 565 HD1 TYR 565 5.525 8.287 -2.813 425 HD2 TYR 565 HD2 TYR 565 8.770 9.777 -0.516 426 HE1 TYR 565 HE1 TYR 565 6.994 8.087 -4.773 427 HE2 TYR 565 HE2 TYR 565 10.253 9.583 -2.467 428 HH TYR 565 HH TYR 565 10.382 8.322 -4.566 429 H THR 566 HN THR 566 6.307 8.806 3.081 430 HA THR 566 HA THR 566 3.819 7.763 3.940 431 HB THR 566 HB THR 566 5.547 8.261 5.584 432 HG1 THR 566 HG1 THR 566 4.218 9.382 7.081 433 HG21 THR 566 HG21 THR 566 5.114 11.168 4.893 434 HG22 THR 566 HG22 THR 566 6.561 10.224 4.539 435 HG23 THR 566 HG23 THR 566 6.115 10.558 6.211 436 H GLU 567 HN GLU 567 4.853 10.849 2.592 437 HA GLU 567 HA GLU 567 2.447 12.263 2.821 438 HB2 GLU 567 HB2 GLU 567 4.124 12.551 0.382 439 HB3 GLU 567 HB3 GLU 567 3.423 13.795 1.408 440 HG2 GLU 567 HG2 GLU 567 5.634 14.012 1.917 441 HG3 GLU 567 HG3 GLU 567 5.129 12.889 3.161 442 H ALA 568 HN ALA 568 3.593 9.976 0.445 443 HA ALA 568 HA ALA 568 1.529 10.263 -1.436 444 HB1 ALA 568 HB1 ALA 568 2.232 8.014 -2.206 445 HB2 ALA 568 HB2 ALA 568 3.267 7.886 -0.786 446 HB3 ALA 568 HB3 ALA 568 3.579 9.128 -1.998 447 H ALA 569 HN ALA 569 1.880 8.119 1.362 448 HA ALA 569 HA ALA 569 -0.534 6.695 0.958 449 HB1 ALA 569 HB1 ALA 569 -0.206 5.839 3.184 450 HB2 ALA 569 HB2 ALA 569 0.938 7.129 3.550 451 HB3 ALA 569 HB3 ALA 569 1.349 5.900 2.356 452 H GLN 570 HN GLN 570 0.288 9.474 3.010 453 HA GLN 570 HA GLN 570 -2.248 9.731 4.221 454 HB2 GLN 570 HB2 GLN 570 -0.167 11.864 3.696 455 HB3 GLN 570 HB3 GLN 570 -1.513 12.003 4.818 456 HG2 GLN 570 HG2 GLN 570 -0.592 10.204 6.169 457 HG3 GLN 570 HG3 GLN 570 0.739 10.018 5.026 458 HE21 GLN 570 HE21 GLN 570 2.340 10.505 6.468 459 HE22 GLN 570 HE22 GLN 570 2.566 12.085 7.138 460 H ALA 571 HN ALA 571 -0.820 11.231 1.346 461 HA ALA 571 HA ALA 571 -2.869 13.090 0.856 462 HB1 ALA 571 HB1 ALA 571 -0.631 13.227 -0.152 463 HB2 ALA 571 HB2 ALA 571 -1.915 13.326 -1.357 464 HB3 ALA 571 HB3 ALA 571 -1.011 11.826 -1.153 465 H MET 572 HN MET 572 -2.417 9.762 -0.279 466 HA MET 572 HA MET 572 -4.605 9.851 -2.087 467 HB2 MET 572 HB2 MET 572 -4.279 7.545 -2.429 468 HB3 MET 572 HB3 MET 572 -2.677 8.188 -2.121 469 HG2 MET 572 HG2 MET 572 -2.672 7.311 0.094 470 HG3 MET 572 HG3 MET 572 -4.368 6.848 -0.030 471 HE1 MET 572 HE1 MET 572 -1.607 6.387 -2.860 472 HE2 MET 572 HE2 MET 572 -0.894 4.874 -2.297 473 HE3 MET 572 HE3 MET 572 -0.793 6.326 -1.299 474 H VAL 573 HN VAL 573 -4.245 8.755 1.249 475 HA VAL 573 HA VAL 573 -6.813 7.597 1.418 476 HB VAL 573 HB VAL 573 -4.891 8.471 3.567 477 HG11 VAL 573 HG11 VAL 573 -7.040 8.564 4.579 478 HG12 VAL 573 HG12 VAL 573 -6.330 7.017 5.044 479 HG13 VAL 573 HG13 VAL 573 -7.550 7.083 3.774 480 HG21 VAL 573 HG21 VAL 573 -4.134 6.623 2.192 481 HG22 VAL 573 HG22 VAL 573 -5.673 5.791 2.430 482 HG23 VAL 573 HG23 VAL 573 -4.581 6.031 3.793 483 H GLN 574 HN GLN 574 -5.581 10.816 2.212 484 HA GLN 574 HA GLN 574 -7.903 11.783 3.431 485 HB2 GLN 574 HB2 GLN 574 -5.795 13.204 1.807 486 HB3 GLN 574 HB3 GLN 574 -7.102 14.050 2.625 487 HG2 GLN 574 HG2 GLN 574 -5.081 12.284 3.990 488 HG3 GLN 574 HG3 GLN 574 -4.980 14.039 3.888 489 HE21 GLN 574 HE21 GLN 574 -5.042 14.267 6.119 490 HE22 GLN 574 HE22 GLN 574 -6.494 14.033 7.028 491 H TYR 575 HN TYR 575 -7.002 11.518 0.041 492 HA TYR 575 HA TYR 575 -9.386 12.667 -0.973 493 HB2 TYR 575 HB2 TYR 575 -7.423 12.443 -2.402 494 HB3 TYR 575 HB3 TYR 575 -7.500 10.688 -2.262 495 HD1 TYR 575 HD1 TYR 575 -9.277 13.654 -3.609 496 HD2 TYR 575 HD2 TYR 575 -8.916 9.417 -3.660 497 HE1 TYR 575 HE1 TYR 575 -10.768 13.553 -5.566 498 HE2 TYR 575 HE2 TYR 575 -10.400 9.304 -5.612 499 HH TYR 575 HH TYR 575 -12.114 10.601 -6.692 500 H TYR 576 HN TYR 576 -8.435 9.292 -0.324 501 HA TYR 576 HA TYR 576 -10.868 8.264 -1.410 502 HB2 TYR 576 HB2 TYR 576 -8.812 6.875 0.305 503 HB3 TYR 576 HB3 TYR 576 -10.118 6.083 -0.575 504 HD1 TYR 576 HD1 TYR 576 -6.872 6.085 -0.698 505 HD2 TYR 576 HD2 TYR 576 -10.026 7.532 -3.155 506 HE1 TYR 576 HE1 TYR 576 -5.404 5.933 -2.656 507 HE2 TYR 576 HE2 TYR 576 -8.566 7.389 -5.125 508 HH TYR 576 HH TYR 576 -5.733 5.691 -5.198 509 H GLN 577 HN GLN 577 -10.063 9.456 1.719 510 HA GLN 577 HA GLN 577 -12.188 8.027 3.013 511 HB2 GLN 577 HB2 GLN 577 -10.423 10.314 3.865 512 HB3 GLN 577 HB3 GLN 577 -11.787 9.789 4.852 513 HG2 GLN 577 HG2 GLN 577 -10.824 7.560 4.995 514 HG3 GLN 577 HG3 GLN 577 -9.484 8.063 3.967 515 HE21 GLN 577 HE21 GLN 577 -9.508 7.027 6.700 516 HE22 GLN 577 HE22 GLN 577 -8.694 8.204 7.661 517 H GLU 578 HN GLU 578 -11.893 10.989 1.242 518 HA GLU 578 HA GLU 578 -14.628 11.757 1.955 519 HB2 GLU 578 HB2 GLU 578 -12.472 13.216 0.427 520 HB3 GLU 578 HB3 GLU 578 -14.108 13.828 0.624 521 HG2 GLU 578 HG2 GLU 578 -12.145 13.265 2.837 522 HG3 GLU 578 HG3 GLU 578 -12.590 14.854 2.215 523 H LYS 579 HN LYS 579 -12.633 10.877 -0.813 524 HA LYS 579 HA LYS 579 -15.088 10.172 -2.291 525 HB2 LYS 579 HB2 LYS 579 -12.576 11.413 -3.439 526 HB3 LYS 579 HB3 LYS 579 -13.914 10.789 -4.390 527 HG2 LYS 579 HG2 LYS 579 -15.395 12.468 -3.454 528 HG3 LYS 579 HG3 LYS 579 -14.086 13.074 -2.437 529 HD2 LYS 579 HD2 LYS 579 -14.290 14.508 -4.352 530 HD3 LYS 579 HD3 LYS 579 -12.797 13.582 -4.503 531 HE2 LYS 579 HE2 LYS 579 -13.906 13.651 -6.639 532 HE3 LYS 579 HE3 LYS 579 -13.969 12.008 -6.008 533 HZ1 LYS 579 HZ1 LYS 579 -16.086 12.611 -6.930 534 HZ2 LYS 579 HZ2 LYS 579 -16.170 13.997 -5.967 535 HZ3 LYS 579 HZ3 LYS 579 -16.248 12.469 -5.252 536 HA PRO 580 HA PRO 580 -12.310 6.585 -1.537 537 HB2 PRO 580 HB2 PRO 580 -14.853 5.110 -1.427 538 HB3 PRO 580 HB3 PRO 580 -13.569 5.244 -0.214 539 HG2 PRO 580 HG2 PRO 580 -15.927 6.459 0.151 540 HG3 PRO 580 HG3 PRO 580 -14.408 7.242 0.648 541 HD2 PRO 580 HD2 PRO 580 -16.020 7.679 -1.853 542 HD3 PRO 580 HD3 PRO 580 -15.347 8.881 -0.725 543 H ALA 581 HN ALA 581 -11.948 4.566 -2.647 544 HA ALA 581 HA ALA 581 -12.546 4.867 -5.488 545 HB1 ALA 581 HB1 ALA 581 -10.689 3.371 -5.865 546 HB2 ALA 581 HB2 ALA 581 -10.564 3.036 -4.139 547 HB3 ALA 581 HB3 ALA 581 -10.197 4.649 -4.755 548 H ILE 582 HN ILE 582 -13.073 2.928 -6.776 549 HA ILE 582 HA ILE 582 -15.023 1.355 -5.225 550 HB ILE 582 HB ILE 582 -15.350 2.356 -8.053 551 HG12 ILE 582 HG12 ILE 582 -16.375 3.462 -5.437 552 HG13 ILE 582 HG13 ILE 582 -15.292 4.252 -6.561 553 HG21 ILE 582 HG21 ILE 582 -17.692 1.736 -7.755 554 HG22 ILE 582 HG22 ILE 582 -17.332 1.142 -6.134 555 HG23 ILE 582 HG23 ILE 582 -16.633 0.342 -7.540 556 HD11 ILE 582 HD11 ILE 582 -17.551 5.154 -6.672 557 HD12 ILE 582 HD12 ILE 582 -18.162 3.560 -7.113 558 HD13 ILE 582 HD13 ILE 582 -17.068 4.416 -8.200 559 H ILE 583 HN ILE 583 -14.987 -0.791 -5.414 560 HA ILE 583 HA ILE 583 -13.992 -1.956 -7.933 561 HB ILE 583 HB ILE 583 -13.584 -3.088 -5.156 562 HG12 ILE 583 HG12 ILE 583 -11.645 -2.202 -7.301 563 HG13 ILE 583 HG13 ILE 583 -11.897 -1.458 -5.725 564 HG21 ILE 583 HG21 ILE 583 -12.537 -5.018 -6.253 565 HG22 ILE 583 HG22 ILE 583 -13.009 -4.372 -7.824 566 HG23 ILE 583 HG23 ILE 583 -14.245 -4.871 -6.668 567 HD11 ILE 583 HD11 ILE 583 -11.061 -3.524 -4.660 568 HD12 ILE 583 HD12 ILE 583 -9.866 -2.743 -5.696 569 HD13 ILE 583 HD13 ILE 583 -10.725 -4.177 -6.263 570 H ASN 584 HN ASN 584 -15.453 -3.198 -8.934 571 HA ASN 584 HA ASN 584 -17.323 -4.410 -9.393 572 HB2 ASN 584 HB2 ASN 584 -17.219 -5.193 -6.471 573 HB3 ASN 584 HB3 ASN 584 -18.126 -6.015 -7.732 574 HD21 ASN 584 HD21 ASN 584 -15.936 -5.701 -9.677 575 HD22 ASN 584 HD22 ASN 584 -14.738 -6.859 -9.213 576 H GLY 585 HN GLY 585 -17.613 -1.663 -8.606 577 HA2 GLY 585 HA2 GLY 585 -19.423 -0.237 -8.385 578 HA3 GLY 585 HA1 GLY 585 -20.453 -1.644 -8.163 579 H GLU 586 HN GLU 586 -17.875 -1.847 -6.087 580 HA GLU 586 HA GLU 586 -19.519 -0.860 -3.866 581 HB2 GLU 586 HB2 GLU 586 -17.212 -2.819 -3.827 582 HB3 GLU 586 HB3 GLU 586 -18.247 -2.400 -2.462 583 HG2 GLU 586 HG2 GLU 586 -20.179 -3.301 -3.766 584 HG3 GLU 586 HG3 GLU 586 -19.018 -3.863 -4.967 585 H LYS 587 HN LYS 587 -18.829 0.818 -2.692 586 HA LYS 587 HA LYS 587 -16.369 2.109 -3.513 587 HB2 LYS 587 HB2 LYS 587 -18.542 2.980 -1.599 588 HB3 LYS 587 HB3 LYS 587 -17.121 3.940 -1.974 589 HG2 LYS 587 HG2 LYS 587 -18.701 4.854 -3.372 590 HG3 LYS 587 HG3 LYS 587 -17.910 3.692 -4.435 591 HD2 LYS 587 HD2 LYS 587 -19.714 2.079 -3.974 592 HD3 LYS 587 HD3 LYS 587 -20.517 3.289 -2.969 593 HE2 LYS 587 HE2 LYS 587 -19.920 3.519 -5.917 594 HE3 LYS 587 HE3 LYS 587 -21.498 3.214 -5.197 595 HZ1 LYS 587 HZ1 LYS 587 -21.254 5.532 -5.806 596 HZ2 LYS 587 HZ2 LYS 587 -19.875 5.680 -4.838 597 HZ3 LYS 587 HZ3 LYS 587 -21.379 5.384 -4.127 598 H LEU 588 HN LEU 588 -14.535 1.540 -2.620 599 HA LEU 588 HA LEU 588 -14.455 0.122 -0.103 600 HB2 LEU 588 HB2 LEU 588 -12.111 1.113 -1.713 601 HB3 LEU 588 HB1 LEU 588 -12.137 -0.188 -0.541 602 HG LEU 588 HG LEU 588 -13.401 -0.229 -3.275 603 HD11 LEU 588 HD11 LEU 588 -11.016 -1.612 -2.075 604 HD12 LEU 588 HD12 LEU 588 -11.021 -0.413 -3.367 605 HD13 LEU 588 HD13 LEU 588 -11.718 -2.008 -3.642 606 HD21 LEU 588 HD21 LEU 588 -13.856 -2.612 -2.760 607 HD22 LEU 588 HD22 LEU 588 -14.792 -1.492 -1.770 608 HD23 LEU 588 HD23 LEU 588 -13.385 -2.306 -1.088 609 H LEU 589 HN LEU 589 -13.924 0.989 1.835 610 HA LEU 589 HA LEU 589 -13.152 3.781 1.921 611 HB2 LEU 589 HB2 LEU 589 -14.704 2.873 3.617 612 HB3 LEU 589 HB1 LEU 589 -13.458 1.764 4.155 613 HG LEU 589 HG LEU 589 -12.072 3.667 4.878 614 HD11 LEU 589 HD11 LEU 589 -14.444 5.337 4.051 615 HD12 LEU 589 HD12 LEU 589 -12.846 5.347 3.303 616 HD13 LEU 589 HD13 LEU 589 -13.049 5.914 4.961 617 HD21 LEU 589 HD21 LEU 589 -13.460 4.335 6.780 618 HD22 LEU 589 HD22 LEU 589 -13.572 2.604 6.466 619 HD23 LEU 589 HD23 LEU 589 -14.881 3.677 5.971 620 H ILE 590 HN ILE 590 -11.150 4.150 1.312 621 HA ILE 590 HA ILE 590 -9.005 2.342 2.142 622 HB ILE 590 HB ILE 590 -8.987 4.737 0.286 623 HG12 ILE 590 HG12 ILE 590 -8.848 1.784 -0.327 624 HG13 ILE 590 HG13 ILE 590 -10.195 2.854 -0.676 625 HG21 ILE 590 HG21 ILE 590 -6.786 2.792 0.937 626 HG22 ILE 590 HG22 ILE 590 -6.828 4.513 1.317 627 HG23 ILE 590 HG23 ILE 590 -6.729 3.983 -0.361 628 HD11 ILE 590 HD11 ILE 590 -7.443 3.028 -1.898 629 HD12 ILE 590 HD12 ILE 590 -8.794 4.106 -2.249 630 HD13 ILE 590 HD13 ILE 590 -8.893 2.398 -2.679 631 H ARG 591 HN ARG 591 -8.011 2.782 4.022 632 HA ARG 591 HA ARG 591 -7.870 5.576 4.919 633 HB2 ARG 591 HB2 ARG 591 -8.512 4.877 7.209 634 HB3 ARG 591 HB3 ARG 591 -9.806 4.688 6.037 635 HG2 ARG 591 HG2 ARG 591 -9.608 2.356 6.025 636 HG3 ARG 591 HG3 ARG 591 -8.022 2.402 6.796 637 HD2 ARG 591 HD2 ARG 591 -9.900 1.691 8.295 638 HD3 ARG 591 HD3 ARG 591 -8.965 3.065 8.880 639 HE ARG 591 HE ARG 591 -11.019 4.239 7.572 640 HH11 ARG 591 HH11 ARG 591 -10.905 1.743 10.020 641 HH12 ARG 591 HH12 ARG 591 -12.394 2.223 10.762 642 HH21 ARG 591 HH21 ARG 591 -12.963 4.894 8.564 643 HH22 ARG 591 HH22 ARG 591 -13.571 4.022 9.935 644 H MET 592 HN MET 592 -6.394 5.930 6.707 645 HA MET 592 HA MET 592 -3.866 4.740 6.257 646 HB2 MET 592 HB2 MET 592 -4.822 6.456 8.560 647 HB3 MET 592 HB3 MET 592 -3.143 6.099 8.189 648 HG2 MET 592 HG2 MET 592 -4.739 7.339 6.026 649 HG3 MET 592 HG3 MET 592 -4.385 8.337 7.432 650 HE1 MET 592 HE1 MET 592 -2.732 6.057 4.645 651 HE2 MET 592 HE2 MET 592 -1.975 5.473 6.127 652 HE3 MET 592 HE3 MET 592 -1.020 6.359 4.938 653 H SER 593 HN SER 593 -2.840 3.084 7.307 654 HA SER 593 HA SER 593 -4.501 1.397 8.976 655 HB2 SER 593 HB2 SER 593 -3.108 0.433 7.166 656 HB3 SER 593 HB3 SER 593 -1.662 0.979 8.009 657 HG SER 593 HG SER 593 -2.263 -1.254 8.385 658 H THR 594 HN THR 594 -4.398 1.226 11.120 659 HA THR 594 HA THR 594 -2.211 2.550 12.533 660 HB THR 594 HB THR 594 -4.505 3.102 13.254 661 HG1 THR 594 HG1 THR 594 -2.704 1.806 15.002 662 HG21 THR 594 HG21 THR 594 -4.657 0.200 14.065 663 HG22 THR 594 HG22 THR 594 -5.565 0.955 12.758 664 HG23 THR 594 HG23 THR 594 -5.859 1.440 14.427 665 H ARG 595 HN ARG 595 -3.012 -0.458 11.366 666 HA ARG 595 HA ARG 595 -1.965 -2.026 13.561 667 HB2 ARG 595 HB2 ARG 595 -2.713 -2.827 10.742 668 HB3 ARG 595 HB3 ARG 595 -2.233 -3.945 12.009 669 HG2 ARG 595 HG2 ARG 595 -4.181 -3.229 13.339 670 HG3 ARG 595 HG3 ARG 595 -4.675 -2.189 12.003 671 HD2 ARG 595 HD2 ARG 595 -4.764 -4.197 10.545 672 HD3 ARG 595 HD3 ARG 595 -4.407 -5.192 11.953 673 HE ARG 595 HE ARG 595 -6.712 -3.473 12.232 674 HH11 ARG 595 HH11 ARG 595 -5.532 -6.642 11.312 675 HH12 ARG 595 HH12 ARG 595 -7.081 -7.403 11.486 676 HH21 ARG 595 HH21 ARG 595 -8.760 -4.485 12.435 677 HH22 ARG 595 HH22 ARG 595 -8.903 -6.187 12.120 678 H TYR 596 HN TYR 596 -0.884 -0.894 10.406 679 HA TYR 596 HA TYR 596 1.842 -1.705 11.141 680 HB2 TYR 596 HB2 TYR 596 0.528 -2.025 8.433 681 HB3 TYR 596 HB3 TYR 596 2.257 -2.187 8.709 682 HD1 TYR 596 HD1 TYR 596 3.042 -4.029 10.298 683 HD2 TYR 596 HD2 TYR 596 -0.909 -3.846 8.740 684 HE1 TYR 596 HE1 TYR 596 2.722 -6.406 10.844 685 HE2 TYR 596 HE2 TYR 596 -1.239 -6.219 9.277 686 HH TYR 596 HH TYR 596 0.113 -8.228 9.634 687 H LYS 597 HN LYS 597 3.295 -0.136 10.949 688 HA LYS 597 HA LYS 597 2.618 2.381 9.674 689 HB2 LYS 597 HB2 LYS 597 3.846 2.508 11.754 690 HB3 LYS 597 HB3 LYS 597 5.074 1.409 11.149 691 HG2 LYS 597 HG2 LYS 597 6.010 3.577 11.098 692 HG3 LYS 597 HG3 LYS 597 5.647 3.144 9.429 693 HD2 LYS 597 HD2 LYS 597 4.954 5.394 9.708 694 HD3 LYS 597 HD3 LYS 597 3.484 4.419 9.693 695 HE2 LYS 597 HE2 LYS 597 3.405 6.121 11.443 696 HE3 LYS 597 HE3 LYS 597 3.392 4.497 12.127 697 HZ1 LYS 597 HZ1 LYS 597 5.726 4.710 12.640 698 HZ2 LYS 597 HZ2 LYS 597 4.879 6.002 13.324 699 HZ3 LYS 597 HZ3 LYS 597 5.791 6.239 11.920 700 H GLU 598 HN GLU 598 4.678 -0.389 9.251 701 HA GLU 598 HA GLU 598 5.046 0.293 6.434 702 HB2 GLU 598 HB2 GLU 598 7.410 -0.368 6.543 703 HB3 GLU 598 HB3 GLU 598 7.093 1.021 7.568 704 HG2 GLU 598 HG2 GLU 598 7.179 -1.782 8.635 705 HG3 GLU 598 HG3 GLU 598 8.617 -0.777 8.496 706 H LEU 599 HN LEU 599 5.443 -1.595 5.095 707 HA LEU 599 HA LEU 599 4.315 -4.005 6.312 708 HB2 LEU 599 HB2 LEU 599 4.911 -3.355 3.428 709 HB3 LEU 599 HB1 LEU 599 4.243 -4.871 3.994 710 HG LEU 599 HG LEU 599 2.891 -2.178 4.210 711 HD11 LEU 599 HD11 LEU 599 2.198 -4.551 2.498 712 HD12 LEU 599 HD12 LEU 599 3.084 -3.142 1.913 713 HD13 LEU 599 HD13 LEU 599 1.426 -2.965 2.497 714 HD21 LEU 599 HD21 LEU 599 2.303 -3.748 6.032 715 HD22 LEU 599 HD22 LEU 599 1.828 -4.929 4.807 716 HD23 LEU 599 HD23 LEU 599 0.956 -3.406 4.946 717 H GLN 600 HN GLN 600 5.770 -5.183 7.302 718 HA GLN 600 HA GLN 600 8.391 -5.538 6.052 719 HB2 GLN 600 HB2 GLN 600 7.494 -6.175 8.869 720 HB3 GLN 600 HB3 GLN 600 9.121 -6.410 8.241 721 HG2 GLN 600 HG2 GLN 600 9.301 -3.995 7.842 722 HG3 GLN 600 HG3 GLN 600 7.687 -3.779 8.518 723 HE21 GLN 600 HE21 GLN 600 11.019 -4.434 9.201 724 HE22 GLN 600 HE22 GLN 600 10.907 -4.266 10.915 725 H LEU 601 HN LEU 601 7.783 -6.983 4.488 726 HA LEU 601 HA LEU 601 6.462 -9.450 5.031 727 HB2 LEU 601 HB2 LEU 601 8.253 -8.668 2.721 728 HB3 LEU 601 HB1 LEU 601 7.216 -10.080 2.769 729 HG LEU 601 HG LEU 601 6.227 -7.227 2.858 730 HD11 LEU 601 HD11 LEU 601 7.235 -7.718 0.706 731 HD12 LEU 601 HD12 LEU 601 5.480 -7.638 0.560 732 HD13 LEU 601 HD13 LEU 601 6.292 -9.204 0.583 733 HD21 LEU 601 HD21 LEU 601 4.772 -9.847 2.542 734 HD22 LEU 601 HD22 LEU 601 4.044 -8.245 2.427 735 HD23 LEU 601 HD23 LEU 601 4.728 -8.795 3.956 736 H LYS 602 HN LYS 602 7.874 -9.830 6.986 737 HA LYS 602 HA LYS 602 9.534 -10.899 8.091 738 HB2 LYS 602 HB2 LYS 602 9.706 -12.410 5.476 739 HB3 LYS 602 HB3 LYS 602 10.569 -12.876 6.934 740 HG2 LYS 602 HG2 LYS 602 8.673 -14.244 6.891 741 HG3 LYS 602 HG3 LYS 602 8.289 -12.984 8.063 742 HD2 LYS 602 HD2 LYS 602 7.065 -11.773 6.261 743 HD3 LYS 602 HD3 LYS 602 7.349 -13.153 5.201 744 HE2 LYS 602 HE2 LYS 602 5.143 -13.332 6.127 745 HE3 LYS 602 HE3 LYS 602 6.154 -14.589 6.835 746 HZ1 LYS 602 HZ1 LYS 602 6.398 -13.253 8.815 747 HZ2 LYS 602 HZ2 LYS 602 4.755 -13.482 8.486 748 HZ3 LYS 602 HZ3 LYS 602 5.488 -12.000 8.134 749 H LYS 603 HN LYS 603 10.254 -8.499 7.270 750 HA LYS 603 HA LYS 603 12.845 -8.714 5.907 751 HB2 LYS 603 HB2 LYS 603 11.167 -6.255 6.469 752 HB3 LYS 603 HB3 LYS 603 12.650 -6.300 5.526 753 HG2 LYS 603 HG2 LYS 603 11.587 -7.631 3.823 754 HG3 LYS 603 HG3 LYS 603 10.124 -7.772 4.797 755 HD2 LYS 603 HD2 LYS 603 9.718 -6.109 3.140 756 HD3 LYS 603 HD3 LYS 603 9.915 -5.277 4.681 757 HE2 LYS 603 HE2 LYS 603 11.099 -4.046 3.007 758 HE3 LYS 603 HE3 LYS 603 12.280 -4.819 4.060 759 HZ1 LYS 603 HZ1 LYS 603 12.859 -5.004 1.706 760 HZ2 LYS 603 HZ2 LYS 603 11.429 -5.853 1.412 761 HZ3 LYS 603 HZ3 LYS 603 12.616 -6.526 2.408 762 HA PRO 604 HA PRO 604 14.677 -8.081 9.926 763 HB2 PRO 604 HB2 PRO 604 17.255 -8.005 9.139 764 HB3 PRO 604 HB3 PRO 604 16.321 -9.505 9.160 765 HG2 PRO 604 HG2 PRO 604 16.989 -7.721 6.855 766 HG3 PRO 604 HG3 PRO 604 16.994 -9.492 6.939 767 HD2 PRO 604 HD2 PRO 604 14.961 -8.033 5.840 768 HD3 PRO 604 HD3 PRO 604 14.740 -9.637 6.565 769 H GLY 605 HN GLY 605 13.500 -5.799 9.085 770 HA2 GLY 605 HA2 GLY 605 14.330 -3.659 10.228 771 HA3 GLY 605 HA1 GLY 605 15.597 -3.738 9.009 772 H LYS 606 HN LYS 606 15.182 -2.117 7.645 773 HA LYS 606 HA LYS 606 12.419 -1.795 6.697 774 HB2 LYS 606 HB2 LYS 606 14.687 0.179 6.884 775 HB3 LYS 606 HB3 LYS 606 13.247 0.492 5.932 776 HG2 LYS 606 HG2 LYS 606 13.428 0.111 8.907 777 HG3 LYS 606 HG3 LYS 606 12.990 1.576 8.029 778 HD2 LYS 606 HD2 LYS 606 11.105 -0.010 7.060 779 HD3 LYS 606 HD3 LYS 606 11.391 -0.873 8.571 780 HE2 LYS 606 HE2 LYS 606 9.711 0.613 9.149 781 HE3 LYS 606 HE3 LYS 606 11.165 1.461 9.663 782 HZ1 LYS 606 HZ1 LYS 606 9.596 2.888 8.449 783 HZ2 LYS 606 HZ2 LYS 606 9.774 1.914 7.074 784 HZ3 LYS 606 HZ3 LYS 606 11.096 2.783 7.675 785 H ASN 607 HN ASN 607 15.537 -0.825 5.304 786 HA ASN 607 HA ASN 607 14.514 -1.601 2.685 787 HB2 ASN 607 HB2 ASN 607 17.068 -0.117 3.349 788 HB3 ASN 607 HB3 ASN 607 16.272 -0.213 1.781 789 HD21 ASN 607 HD21 ASN 607 14.592 1.159 1.317 790 HD22 ASN 607 HD22 ASN 607 14.084 2.415 2.394 791 H VAL 608 HN VAL 608 14.861 -3.871 3.733 792 HA VAL 608 HA VAL 608 15.836 -5.902 3.532 793 HB VAL 608 HB VAL 608 17.833 -4.575 1.689 794 HG11 VAL 608 HG11 VAL 608 18.173 -6.844 0.808 795 HG12 VAL 608 HG12 VAL 608 17.102 -7.479 2.056 796 HG13 VAL 608 HG13 VAL 608 18.627 -6.718 2.507 797 HG21 VAL 608 HG21 VAL 608 16.421 -5.429 -0.127 798 HG22 VAL 608 HG22 VAL 608 15.566 -4.265 0.882 799 HG23 VAL 608 HG23 VAL 608 15.245 -5.990 1.060 800 H ALA 609 HN ALA 609 18.896 -4.160 3.139 801 HA ALA 609 HA ALA 609 19.803 -5.442 5.618 802 HB1 ALA 609 HB1 ALA 609 21.070 -5.959 3.581 803 HB2 ALA 609 HB2 ALA 609 22.061 -5.132 4.783 804 HB3 ALA 609 HB3 ALA 609 21.444 -4.246 3.388 805 H ALA 610 HN ALA 610 19.444 -2.348 4.036 806 HA ALA 610 HA ALA 610 20.721 -0.958 6.261 807 HB1 ALA 610 HB1 ALA 610 19.549 0.154 3.713 808 HB2 ALA 610 HB2 ALA 610 21.248 -0.249 3.969 809 HB3 ALA 610 HB3 ALA 610 20.498 1.045 4.903 810 H ILE 611 HN ILE 611 19.636 0.210 7.770 811 HA ILE 611 HA ILE 611 16.704 0.271 7.541 812 HB ILE 611 HB ILE 611 18.416 0.629 10.010 813 HG12 ILE 611 HG12 ILE 611 16.638 -1.662 9.138 814 HG13 ILE 611 HG13 ILE 611 18.398 -1.686 9.181 815 HG21 ILE 611 HG21 ILE 611 16.352 1.930 10.117 816 HG22 ILE 611 HG22 ILE 611 16.302 0.573 11.240 817 HG23 ILE 611 HG23 ILE 611 15.415 0.489 9.719 818 HD11 ILE 611 HD11 ILE 611 18.356 -1.455 11.595 819 HD12 ILE 611 HD12 ILE 611 17.412 -2.853 11.082 820 HD13 ILE 611 HD13 ILE 611 16.595 -1.368 11.569 821 H ILE 612 HN ILE 612 16.430 2.066 6.294 822 HA ILE 612 HA ILE 612 17.832 4.517 6.896 823 HB ILE 612 HB ILE 612 15.725 3.865 4.833 824 HG12 ILE 612 HG12 ILE 612 18.700 4.346 4.567 825 HG13 ILE 612 HG13 ILE 612 17.930 2.765 4.543 826 HG21 ILE 612 HG21 ILE 612 16.388 6.026 3.799 827 HG22 ILE 612 HG22 ILE 612 17.299 6.393 5.265 828 HG23 ILE 612 HG23 ILE 612 15.549 6.197 5.341 829 HD11 ILE 612 HD11 ILE 612 18.469 3.502 2.312 830 HD12 ILE 612 HD12 ILE 612 17.524 4.974 2.542 831 HD13 ILE 612 HD13 ILE 612 16.720 3.403 2.516 832 H GLN 613 HN GLN 613 17.125 6.114 8.132 833 HA GLN 613 HA GLN 613 14.262 6.283 8.777 834 HB2 GLN 613 HB2 GLN 613 16.515 6.633 10.766 835 HB3 GLN 613 HB3 GLN 613 14.800 6.803 11.103 836 HG2 GLN 613 HG2 GLN 613 14.496 4.418 10.530 837 HG3 GLN 613 HG3 GLN 613 16.242 4.279 10.331 838 HE21 GLN 613 HE21 GLN 613 16.499 2.812 11.969 839 HE22 GLN 613 HE22 GLN 613 16.303 3.215 13.637 840 H ASP 614 HN ASP 614 17.388 7.963 9.123 841 HA ASP 614 HA ASP 614 16.132 10.550 9.193 842 HB2 ASP 614 HB2 ASP 614 19.039 9.742 8.980 843 HB3 ASP 614 HB3 ASP 614 18.486 11.406 9.125 844 H ILE 615 HN ILE 615 17.969 8.669 6.853 845 HA ILE 615 HA ILE 615 17.946 10.700 4.833 846 HB ILE 615 HB ILE 615 18.418 7.727 4.495 847 HG12 ILE 615 HG12 ILE 615 20.444 9.911 5.014 848 HG13 ILE 615 HG13 ILE 615 19.901 8.743 6.214 849 HG21 ILE 615 HG21 ILE 615 19.265 10.074 2.802 850 HG22 ILE 615 HG22 ILE 615 18.031 8.883 2.389 851 HG23 ILE 615 HG23 ILE 615 19.720 8.394 2.524 852 HD11 ILE 615 HD11 ILE 615 21.370 8.115 3.663 853 HD12 ILE 615 HD12 ILE 615 20.812 6.931 4.846 854 HD13 ILE 615 HD13 ILE 615 22.048 8.108 5.292 855 H HIS 616 HN HIS 616 16.773 10.557 2.817 856 HA HIS 616 HA HIS 616 14.256 9.050 3.036 857 HB2 HIS 616 HB2 HIS 616 14.858 11.595 1.512 858 HB3 HIS 616 HB3 HIS 616 13.341 10.707 1.407 859 HD1 HIS 616 HD1 HIS 616 13.957 13.696 2.587 860 HD2 HIS 616 HD2 HIS 616 12.957 10.250 4.685 861 HE1 HIS 616 HE1 HIS 616 12.940 14.489 4.747 862 HE2 HIS 616 HE2 HIS 616 12.236 12.389 5.947 863 H SER 617 HN SER 617 13.656 9.542 0.201 864 HA SER 617 HA SER 617 14.933 7.222 -0.859 865 HB2 SER 617 HB2 SER 617 13.225 9.242 -2.323 866 HB3 SER 617 HB3 SER 617 13.498 7.553 -2.757 867 HG SER 617 HG SER 617 12.573 7.206 -0.497 868 H GLN 618 HN GLN 618 17.144 8.151 -0.576 869 HA GLN 618 HA GLN 618 17.965 9.564 -3.019 870 HB2 GLN 618 HB2 GLN 618 18.920 10.161 -0.213 871 HB3 GLN 618 HB3 GLN 618 19.643 10.820 -1.673 872 HG2 GLN 618 HG2 GLN 618 17.599 11.991 -2.203 873 HG3 GLN 618 HG3 GLN 618 16.790 11.259 -0.817 874 HE21 GLN 618 HE21 GLN 618 20.101 12.318 -0.695 875 HE22 GLN 618 HE22 GLN 618 19.840 13.670 0.349 876 H ARG 619 HN ARG 619 19.312 7.958 -0.127 877 HA ARG 619 HA ARG 619 21.156 6.543 -1.927 878 HB2 ARG 619 HB2 ARG 619 21.597 7.502 0.894 879 HB3 ARG 619 HB3 ARG 619 22.659 6.355 0.094 880 HG2 ARG 619 HG2 ARG 619 23.015 8.071 -1.694 881 HG3 ARG 619 HG3 ARG 619 22.136 9.210 -0.673 882 HD2 ARG 619 HD2 ARG 619 24.641 7.722 0.105 883 HD3 ARG 619 HD3 ARG 619 24.567 9.413 -0.384 884 HE ARG 619 HE ARG 619 22.980 9.580 1.643 885 HH11 ARG 619 HH11 ARG 619 25.799 7.508 1.444 886 HH12 ARG 619 HH12 ARG 619 26.127 7.575 3.145 887 HH21 ARG 619 HH21 ARG 619 23.416 9.663 3.891 888 HH22 ARG 619 HH22 ARG 619 24.769 8.789 4.533 889 H GLU 620 HN GLU 620 18.805 5.323 -1.708 890 HA GLU 620 HA GLU 620 18.855 3.419 0.452 891 HB2 GLU 620 HB2 GLU 620 16.698 4.024 -0.475 892 HB3 GLU 620 HB3 GLU 620 17.204 3.499 -2.078 893 HG2 GLU 620 HG2 GLU 620 17.476 1.196 -1.140 894 HG3 GLU 620 HG3 GLU 620 16.738 1.783 0.347 895 H ARG 621 HN ARG 621 20.794 2.358 0.355 896 HA ARG 621 HA ARG 621 21.095 0.558 -1.954 897 HB2 ARG 621 HB2 ARG 621 23.289 1.747 -0.242 898 HB3 ARG 621 HB3 ARG 621 23.530 0.543 -1.502 899 HG2 ARG 621 HG2 ARG 621 22.592 2.170 -3.137 900 HG3 ARG 621 HG3 ARG 621 22.573 3.373 -1.847 901 HD2 ARG 621 HD2 ARG 621 24.571 3.614 -3.209 902 HD3 ARG 621 HD3 ARG 621 24.996 3.101 -1.576 903 HE ARG 621 HE ARG 621 24.880 0.754 -2.825 904 HH11 ARG 621 HH11 ARG 621 26.359 3.760 -3.819 905 HH12 ARG 621 HH12 ARG 621 27.609 2.985 -4.741 906 HH21 ARG 621 HH21 ARG 621 26.509 -0.271 -4.047 907 HH22 ARG 621 HH22 ARG 621 27.689 0.694 -4.879 Start of MODEL 9 1 H1 GLY 510 HT1 GLY 510 13.384 -8.055 7.863 2 H2 GLY 510 HT2 GLY 510 13.339 -6.399 8.198 3 H3 GLY 510 HT3 GLY 510 14.545 -7.023 7.193 4 HA2 GLY 510 HA1 GLY 510 12.906 -7.635 5.541 5 HA3 GLY 510 HA2 GLY 510 11.645 -7.008 6.590 6 H ALA 511 HN ALA 511 14.144 -6.232 4.337 7 HA ALA 511 HA ALA 511 13.537 -3.365 4.593 8 HB1 ALA 511 HB1 ALA 511 15.800 -4.718 3.123 9 HB2 ALA 511 HB2 ALA 511 15.911 -3.964 4.713 10 HB3 ALA 511 HB3 ALA 511 15.567 -2.979 3.291 11 H MET 512 HN MET 512 11.620 -5.066 3.467 12 HA MET 512 HA MET 512 11.832 -5.049 0.606 13 HB2 MET 512 HB2 MET 512 9.532 -5.689 2.454 14 HB3 MET 512 HB3 MET 512 9.422 -5.792 0.704 15 HG2 MET 512 HG2 MET 512 9.806 -7.977 1.476 16 HG3 MET 512 HG3 MET 512 11.334 -7.423 0.794 17 HE1 MET 512 HE1 MET 512 11.102 -9.974 2.659 18 HE2 MET 512 HE2 MET 512 12.498 -9.742 3.712 19 HE3 MET 512 HE3 MET 512 12.625 -9.390 1.988 20 H ALA 513 HN ALA 513 10.731 -2.850 2.990 21 HA ALA 513 HA ALA 513 9.557 -1.161 0.882 22 HB1 ALA 513 HB1 ALA 513 8.557 -1.302 3.721 23 HB2 ALA 513 HB2 ALA 513 7.825 -2.163 2.368 24 HB3 ALA 513 HB3 ALA 513 7.854 -0.400 2.377 25 H GLN 514 HN GLN 514 9.016 0.996 2.557 26 HA GLN 514 HA GLN 514 9.865 2.825 3.561 27 HB2 GLN 514 HB2 GLN 514 12.134 0.988 4.333 28 HB3 GLN 514 HB3 GLN 514 11.952 2.639 4.910 29 HG2 GLN 514 HG2 GLN 514 9.932 0.448 5.335 30 HG3 GLN 514 HG3 GLN 514 11.155 0.930 6.509 31 HE21 GLN 514 HE21 GLN 514 9.482 1.428 7.978 32 HE22 GLN 514 HE22 GLN 514 8.563 2.891 7.819 33 H ARG 515 HN ARG 515 10.026 3.942 1.701 34 HA ARG 515 HA ARG 515 12.631 3.951 0.362 35 HB2 ARG 515 HB2 ARG 515 9.966 5.082 -0.508 36 HB3 ARG 515 HB3 ARG 515 11.457 5.220 -1.430 37 HG2 ARG 515 HG2 ARG 515 9.992 2.681 -0.727 38 HG3 ARG 515 HG3 ARG 515 10.136 3.422 -2.325 39 HD2 ARG 515 HD2 ARG 515 12.570 3.078 -2.246 40 HD3 ARG 515 HD3 ARG 515 12.402 2.316 -0.668 41 HE ARG 515 HE ARG 515 11.142 1.195 -3.087 42 HH11 ARG 515 HH11 ARG 515 13.029 0.817 -0.154 43 HH12 ARG 515 HH12 ARG 515 13.308 -0.876 -0.402 44 HH21 ARG 515 HH21 ARG 515 11.516 -1.041 -3.410 45 HH22 ARG 515 HH22 ARG 515 12.450 -1.927 -2.242 46 H LYS 516 HN LYS 516 10.184 6.178 1.655 47 HA LYS 516 HA LYS 516 12.297 8.118 2.207 48 HB2 LYS 516 HB2 LYS 516 9.292 8.205 2.455 49 HB3 LYS 516 HB3 LYS 516 10.318 9.449 3.155 50 HG2 LYS 516 HG2 LYS 516 10.278 8.707 0.237 51 HG3 LYS 516 HG3 LYS 516 9.399 10.063 0.947 52 HD2 LYS 516 HD2 LYS 516 11.634 10.881 1.816 53 HD3 LYS 516 HD3 LYS 516 12.379 9.665 0.780 54 HE2 LYS 516 HE2 LYS 516 10.534 11.846 -0.180 55 HE3 LYS 516 HE3 LYS 516 12.291 11.920 -0.241 56 HZ1 LYS 516 HZ1 LYS 516 10.592 9.928 -1.634 57 HZ2 LYS 516 HZ2 LYS 516 12.284 9.974 -1.682 58 HZ3 LYS 516 HZ3 LYS 516 11.381 11.237 -2.356 59 H GLY 517 HN GLY 517 12.476 8.975 4.426 60 HA2 GLY 517 HA2 GLY 517 12.753 6.795 6.259 61 HA3 GLY 517 HA1 GLY 517 13.157 8.476 6.569 62 H ALA 518 HN ALA 518 10.235 6.539 5.982 63 HA ALA 518 HA ALA 518 9.111 7.153 8.532 64 HB1 ALA 518 HB1 ALA 518 8.689 9.307 7.475 65 HB2 ALA 518 HB2 ALA 518 7.174 8.442 7.737 66 HB3 ALA 518 HB3 ALA 518 7.887 8.505 6.125 67 H GLY 519 HN GLY 519 7.515 6.782 5.384 68 HA2 GLY 519 HA2 GLY 519 6.419 4.992 4.439 69 HA3 GLY 519 HA1 GLY 519 7.158 3.961 5.655 70 H ARG 520 HN ARG 520 4.347 4.279 4.536 71 HA ARG 520 HA ARG 520 3.053 3.949 7.112 72 HB2 ARG 520 HB2 ARG 520 2.104 5.975 5.077 73 HB3 ARG 520 HB3 ARG 520 1.098 5.368 6.383 74 HG2 ARG 520 HG2 ARG 520 2.778 6.253 7.994 75 HG3 ARG 520 HG3 ARG 520 3.622 6.986 6.630 76 HD2 ARG 520 HD2 ARG 520 1.594 8.255 6.077 77 HD3 ARG 520 HD3 ARG 520 0.778 7.537 7.466 78 HE ARG 520 HE ARG 520 3.246 8.993 7.986 79 HH11 ARG 520 HH11 ARG 520 -0.258 8.992 8.023 80 HH12 ARG 520 HH12 ARG 520 -0.373 10.342 9.104 81 HH21 ARG 520 HH21 ARG 520 3.094 10.770 9.407 82 HH22 ARG 520 HH22 ARG 520 1.534 11.344 9.901 83 H VAL 521 HN VAL 521 1.469 2.464 7.055 84 HA VAL 521 HA VAL 521 0.947 1.177 4.490 85 HB VAL 521 HB VAL 521 0.370 0.263 7.316 86 HG11 VAL 521 HG11 VAL 521 -1.371 -0.545 5.807 87 HG12 VAL 521 HG12 VAL 521 -0.326 -1.866 6.329 88 HG13 VAL 521 HG13 VAL 521 -0.140 -1.181 4.716 89 HG21 VAL 521 HG21 VAL 521 2.695 0.085 6.836 90 HG22 VAL 521 HG22 VAL 521 2.372 -0.600 5.243 91 HG23 VAL 521 HG23 VAL 521 2.006 -1.536 6.692 92 H VAL 522 HN VAL 522 -0.962 1.245 3.520 93 HA VAL 522 HA VAL 522 -3.117 2.718 4.855 94 HB VAL 522 HB VAL 522 -2.781 2.045 1.924 95 HG11 VAL 522 HG11 VAL 522 -4.604 3.600 1.561 96 HG12 VAL 522 HG12 VAL 522 -4.782 3.808 3.303 97 HG13 VAL 522 HG13 VAL 522 -5.109 2.240 2.561 98 HG21 VAL 522 HG21 VAL 522 -1.119 3.656 2.669 99 HG22 VAL 522 HG22 VAL 522 -2.385 4.635 3.409 100 HG23 VAL 522 HG23 VAL 522 -2.330 4.446 1.657 101 H HIS 523 HN HIS 523 -5.052 1.789 5.255 102 HA HIS 523 HA HIS 523 -5.179 -1.120 4.837 103 HB2 HIS 523 HB2 HIS 523 -5.152 -0.143 7.191 104 HB3 HIS 523 HB3 HIS 523 -6.746 0.509 6.844 105 HD1 HIS 523 HD1 HIS 523 -7.901 -0.908 8.617 106 HD2 HIS 523 HD2 HIS 523 -5.838 -3.157 5.803 107 HE1 HIS 523 HE1 HIS 523 -8.575 -3.287 9.037 108 HE2 HIS 523 HE2 HIS 523 -7.124 -4.639 7.492 109 H ILE 524 HN ILE 524 -6.545 -1.787 3.347 110 HA ILE 524 HA ILE 524 -8.722 -0.007 2.514 111 HB ILE 524 HB ILE 524 -7.437 -2.329 1.075 112 HG12 ILE 524 HG12 ILE 524 -7.380 0.650 0.554 113 HG13 ILE 524 HG13 ILE 524 -6.049 -0.305 1.196 114 HG21 ILE 524 HG21 ILE 524 -9.772 -2.243 0.491 115 HG22 ILE 524 HG22 ILE 524 -8.814 -1.626 -0.855 116 HG23 ILE 524 HG23 ILE 524 -9.672 -0.505 0.202 117 HD11 ILE 524 HD11 ILE 524 -7.274 -0.632 -1.531 118 HD12 ILE 524 HD12 ILE 524 -5.890 -1.518 -0.890 119 HD13 ILE 524 HD13 ILE 524 -5.772 0.218 -1.172 120 H CYS 525 HN CYS 525 -10.775 -0.543 2.808 121 HA CYS 525 HA CYS 525 -11.276 -3.100 4.186 122 HB2 CYS 525 HB2 CYS 525 -12.851 -0.554 4.548 123 HB3 CYS 525 HB3 CYS 525 -12.828 -1.973 5.588 124 HG CYS 525 HG CYS 525 -10.389 0.394 5.253 125 H ASN 526 HN ASN 526 -13.601 -3.767 4.124 126 HA ASN 526 HA ASN 526 -15.558 -4.282 3.100 127 HB2 ASN 526 HB2 ASN 526 -15.041 -1.691 1.635 128 HB3 ASN 526 HB3 ASN 526 -16.515 -2.630 1.460 129 HD21 ASN 526 HD21 ASN 526 -17.817 -1.014 2.261 130 HD22 ASN 526 HD22 ASN 526 -17.827 -0.564 3.931 131 H LEU 527 HN LEU 527 -13.103 -5.366 2.133 132 HA LEU 527 HA LEU 527 -13.261 -5.352 -0.757 133 HB2 LEU 527 HB2 LEU 527 -11.422 -6.684 1.221 134 HB3 LEU 527 HB1 LEU 527 -11.305 -6.949 -0.511 135 HG LEU 527 HG LEU 527 -11.117 -4.211 0.741 136 HD11 LEU 527 HD11 LEU 527 -8.729 -4.358 0.528 137 HD12 LEU 527 HD12 LEU 527 -8.852 -5.995 -0.127 138 HD13 LEU 527 HD13 LEU 527 -9.298 -5.681 1.550 139 HD21 LEU 527 HD21 LEU 527 -10.418 -5.314 -1.973 140 HD22 LEU 527 HD22 LEU 527 -10.059 -3.679 -1.422 141 HD23 LEU 527 HD23 LEU 527 -11.735 -4.204 -1.586 142 HA PRO 528 HA PRO 528 -15.865 -9.024 -0.793 143 HB2 PRO 528 HB2 PRO 528 -15.956 -9.213 -3.513 144 HB3 PRO 528 HB3 PRO 528 -16.995 -8.136 -2.577 145 HG2 PRO 528 HG2 PRO 528 -14.500 -7.516 -4.093 146 HG3 PRO 528 HG3 PRO 528 -15.991 -6.570 -3.950 147 HD2 PRO 528 HD2 PRO 528 -13.732 -6.010 -2.548 148 HD3 PRO 528 HD3 PRO 528 -15.361 -5.655 -1.940 149 H GLU 529 HN GLU 529 -15.227 -11.080 -0.686 150 HA GLU 529 HA GLU 529 -12.527 -11.789 -1.147 151 HB2 GLU 529 HB2 GLU 529 -14.943 -13.501 -0.564 152 HB3 GLU 529 HB3 GLU 529 -13.289 -14.098 -0.591 153 HG2 GLU 529 HG2 GLU 529 -12.716 -12.547 1.217 154 HG3 GLU 529 HG3 GLU 529 -14.393 -12.005 1.260 155 H GLY 530 HN GLY 530 -11.556 -12.441 -2.926 156 HA2 GLY 530 HA2 GLY 530 -11.194 -13.687 -4.839 157 HA3 GLY 530 HA1 GLY 530 -12.860 -14.234 -4.763 158 H SER 531 HN SER 531 -13.538 -11.189 -4.596 159 HA SER 531 HA SER 531 -13.935 -10.983 -7.455 160 HB2 SER 531 HB2 SER 531 -14.761 -9.018 -5.313 161 HB3 SER 531 HB3 SER 531 -15.423 -9.167 -6.940 162 HG SER 531 HG SER 531 -15.784 -11.504 -6.023 163 H CYS 532 HN CYS 532 -12.143 -9.300 -4.922 164 HA CYS 532 HA CYS 532 -11.006 -7.433 -6.830 165 HB2 CYS 532 HB2 CYS 532 -10.418 -7.871 -3.895 166 HB3 CYS 532 HB3 CYS 532 -9.740 -6.579 -4.880 167 HG CYS 532 HG CYS 532 -11.548 -4.983 -3.990 168 H THR 533 HN THR 533 -8.973 -7.563 -7.702 169 HA THR 533 HA THR 533 -7.428 -9.969 -7.008 170 HB THR 533 HB THR 533 -6.260 -9.683 -9.143 171 HG1 THR 533 HG1 THR 533 -8.027 -7.464 -9.539 172 HG21 THR 533 HG21 THR 533 -8.115 -10.187 -10.659 173 HG22 THR 533 HG22 THR 533 -9.259 -9.576 -9.465 174 HG23 THR 533 HG23 THR 533 -8.308 -11.020 -9.117 175 H GLU 534 HN GLU 534 -4.993 -9.643 -7.152 176 HA GLU 534 HA GLU 534 -4.131 -7.799 -5.258 177 HB2 GLU 534 HB2 GLU 534 -2.476 -8.993 -7.495 178 HB3 GLU 534 HB3 GLU 534 -1.863 -8.327 -5.986 179 HG2 GLU 534 HG2 GLU 534 -2.909 -10.092 -4.730 180 HG3 GLU 534 HG3 GLU 534 -3.664 -10.726 -6.188 181 H ASN 535 HN ASN 535 -4.079 -7.653 -8.761 182 HA ASN 535 HA ASN 535 -2.674 -5.272 -9.090 183 HB2 ASN 535 HB2 ASN 535 -3.046 -6.868 -10.897 184 HB3 ASN 535 HB3 ASN 535 -4.774 -6.542 -10.858 185 HD21 ASN 535 HD21 ASN 535 -5.567 -4.851 -11.966 186 HD22 ASN 535 HD22 ASN 535 -4.603 -3.773 -12.915 187 H ASP 536 HN ASP 536 -6.147 -5.818 -8.586 188 HA ASP 536 HA ASP 536 -6.981 -3.181 -9.199 189 HB2 ASP 536 HB2 ASP 536 -8.240 -5.177 -7.304 190 HB3 ASP 536 HB3 ASP 536 -8.982 -3.669 -7.814 191 H VAL 537 HN VAL 537 -6.131 -4.755 -6.160 192 HA VAL 537 HA VAL 537 -6.828 -2.616 -4.468 193 HB VAL 537 HB VAL 537 -4.840 -4.840 -3.974 194 HG11 VAL 537 HG11 VAL 537 -6.348 -3.148 -1.994 195 HG12 VAL 537 HG12 VAL 537 -4.634 -2.986 -2.382 196 HG13 VAL 537 HG13 VAL 537 -5.231 -4.461 -1.621 197 HG21 VAL 537 HG21 VAL 537 -6.714 -5.992 -2.891 198 HG22 VAL 537 HG22 VAL 537 -7.020 -5.706 -4.605 199 HG23 VAL 537 HG23 VAL 537 -7.794 -4.689 -3.388 200 H ILE 538 HN ILE 538 -3.747 -3.593 -5.896 201 HA ILE 538 HA ILE 538 -2.148 -1.637 -4.639 202 HB ILE 538 HB ILE 538 -1.735 -3.065 -7.269 203 HG12 ILE 538 HG12 ILE 538 -0.574 -3.673 -4.545 204 HG13 ILE 538 HG13 ILE 538 -1.978 -4.493 -5.219 205 HG21 ILE 538 HG21 ILE 538 0.234 -1.542 -5.566 206 HG22 ILE 538 HG22 ILE 538 -0.354 -1.073 -7.160 207 HG23 ILE 538 HG23 ILE 538 0.644 -2.515 -6.977 208 HD11 ILE 538 HD11 ILE 538 -0.615 -5.311 -7.063 209 HD12 ILE 538 HD12 ILE 538 0.030 -5.814 -5.501 210 HD13 ILE 538 HD13 ILE 538 0.792 -4.491 -6.386 211 H ASN 539 HN ASN 539 -3.810 -1.704 -7.770 212 HA ASN 539 HA ASN 539 -2.703 0.717 -8.703 213 HB2 ASN 539 HB2 ASN 539 -5.071 -0.898 -9.585 214 HB3 ASN 539 HB3 ASN 539 -4.690 0.652 -10.329 215 HD21 ASN 539 HD21 ASN 539 -4.711 -1.861 -11.624 216 HD22 ASN 539 HD22 ASN 539 -3.106 -2.179 -12.182 217 H LEU 540 HN LEU 540 -5.447 0.061 -6.669 218 HA LEU 540 HA LEU 540 -6.822 2.488 -7.090 219 HB2 LEU 540 HB2 LEU 540 -6.778 0.627 -4.733 220 HB3 LEU 540 HB1 LEU 540 -7.805 2.043 -4.811 221 HG LEU 540 HG LEU 540 -7.928 -0.406 -6.556 222 HD11 LEU 540 HD11 LEU 540 -8.956 -0.626 -4.379 223 HD12 LEU 540 HD12 LEU 540 -10.194 -0.545 -5.633 224 HD13 LEU 540 HD13 LEU 540 -9.862 0.868 -4.632 225 HD21 LEU 540 HD21 LEU 540 -9.438 2.193 -6.825 226 HD22 LEU 540 HD22 LEU 540 -9.832 0.698 -7.673 227 HD23 LEU 540 HD23 LEU 540 -8.300 1.509 -7.987 228 H GLY 541 HN GLY 541 -4.169 1.671 -4.901 229 HA2 GLY 541 HA2 GLY 541 -4.377 4.181 -3.484 230 HA3 GLY 541 HA1 GLY 541 -3.094 2.992 -3.314 231 H LEU 542 HN LEU 542 -2.581 2.920 -6.153 232 HA LEU 542 HA LEU 542 -0.402 4.589 -6.259 233 HB2 LEU 542 HB2 LEU 542 -1.942 3.285 -8.474 234 HB3 LEU 542 HB1 LEU 542 -0.446 4.152 -8.751 235 HG LEU 542 HG LEU 542 -0.764 1.713 -7.002 236 HD11 LEU 542 HD11 LEU 542 0.521 0.573 -8.715 237 HD12 LEU 542 HD12 LEU 542 0.574 2.048 -9.679 238 HD13 LEU 542 HD13 LEU 542 -0.963 1.235 -9.397 239 HD21 LEU 542 HD21 LEU 542 1.679 3.305 -7.754 240 HD22 LEU 542 HD22 LEU 542 1.694 1.753 -6.919 241 HD23 LEU 542 HD23 LEU 542 0.971 3.162 -6.146 242 HA PRO 543 HA PRO 543 -3.032 7.573 -9.282 243 HB2 PRO 543 HB2 PRO 543 -5.218 7.818 -7.236 244 HB3 PRO 543 HB3 PRO 543 -5.288 8.071 -8.991 245 HG2 PRO 543 HG2 PRO 543 -6.182 5.819 -7.993 246 HG3 PRO 543 HG3 PRO 543 -5.143 5.770 -9.433 247 HD2 PRO 543 HD2 PRO 543 -4.465 5.156 -6.586 248 HD3 PRO 543 HD3 PRO 543 -3.930 4.346 -8.071 249 H PHE 544 HN PHE 544 -3.044 7.842 -5.693 250 HA PHE 544 HA PHE 544 -2.046 10.584 -6.102 251 HB2 PHE 544 HB2 PHE 544 -3.472 9.386 -3.746 252 HB3 PHE 544 HB1 PHE 544 -2.695 10.964 -3.702 253 HD1 PHE 544 HD1 PHE 544 -5.379 8.991 -5.283 254 HD2 PHE 544 HD2 PHE 544 -3.739 12.861 -4.637 255 HE1 PHE 544 HE1 PHE 544 -7.426 10.005 -6.191 256 HE2 PHE 544 HE2 PHE 544 -5.780 13.883 -5.544 257 HZ PHE 544 HZ PHE 544 -7.614 12.459 -6.352 258 H GLY 545 HN GLY 545 -1.188 7.500 -4.844 259 HA2 GLY 545 HA2 GLY 545 1.386 8.654 -4.001 260 HA3 GLY 545 HA1 GLY 545 0.553 7.478 -2.998 261 H LYS 546 HN LYS 546 2.566 6.284 -3.151 262 HA LYS 546 HA LYS 546 2.664 4.667 -5.601 263 HB2 LYS 546 HB2 LYS 546 4.528 6.323 -5.594 264 HB3 LYS 546 HB3 LYS 546 5.097 5.624 -4.088 265 HG2 LYS 546 HG2 LYS 546 6.405 4.723 -5.876 266 HG3 LYS 546 HG3 LYS 546 5.362 3.443 -5.242 267 HD2 LYS 546 HD2 LYS 546 5.373 3.352 -7.657 268 HD3 LYS 546 HD3 LYS 546 3.782 3.863 -7.097 269 HE2 LYS 546 HE2 LYS 546 4.377 6.197 -7.576 270 HE3 LYS 546 HE3 LYS 546 5.957 5.669 -8.148 271 HZ1 LYS 546 HZ1 LYS 546 3.326 5.000 -9.341 272 HZ2 LYS 546 HZ2 LYS 546 4.799 4.356 -9.856 273 HZ3 LYS 546 HZ3 LYS 546 4.508 6.015 -10.000 274 H VAL 547 HN VAL 547 2.873 2.533 -5.295 275 HA VAL 547 HA VAL 547 2.871 1.563 -2.545 276 HB VAL 547 HB VAL 547 2.035 0.219 -5.120 277 HG11 VAL 547 HG11 VAL 547 1.121 -1.544 -3.661 278 HG12 VAL 547 HG12 VAL 547 1.879 -0.757 -2.276 279 HG13 VAL 547 HG13 VAL 547 2.878 -1.421 -3.568 280 HG21 VAL 547 HG21 VAL 547 -0.235 0.406 -4.199 281 HG22 VAL 547 HG22 VAL 547 0.510 1.983 -4.460 282 HG23 VAL 547 HG23 VAL 547 0.409 1.315 -2.832 283 H THR 548 HN THR 548 4.481 0.330 -1.763 284 HA THR 548 HA THR 548 6.571 -0.565 -3.641 285 HB THR 548 HB THR 548 8.096 -0.667 -1.737 286 HG1 THR 548 HG1 THR 548 6.335 0.621 -0.009 287 HG21 THR 548 HG21 THR 548 6.581 1.936 -1.893 288 HG22 THR 548 HG22 THR 548 7.976 1.465 -2.866 289 HG23 THR 548 HG23 THR 548 8.157 1.737 -1.131 290 H ASN 549 HN ASN 549 4.311 -1.571 -1.200 291 HA ASN 549 HA ASN 549 4.804 -4.390 -1.742 292 HB2 ASN 549 HB2 ASN 549 5.039 -3.195 1.034 293 HB3 ASN 549 HB3 ASN 549 4.899 -4.916 0.706 294 HD21 ASN 549 HD21 ASN 549 6.915 -2.100 0.415 295 HD22 ASN 549 HD22 ASN 549 8.402 -2.956 0.185 296 H TYR 550 HN TYR 550 3.111 -5.741 -0.637 297 HA TYR 550 HA TYR 550 0.851 -4.329 0.457 298 HB2 TYR 550 HB2 TYR 550 -0.769 -5.211 -1.181 299 HB3 TYR 550 HB3 TYR 550 0.392 -4.128 -1.935 300 HD1 TYR 550 HD1 TYR 550 -0.972 -7.468 -1.897 301 HD2 TYR 550 HD2 TYR 550 2.262 -5.087 -3.295 302 HE1 TYR 550 HE1 TYR 550 -0.414 -9.204 -3.546 303 HE2 TYR 550 HE2 TYR 550 2.827 -6.813 -4.947 304 HH TYR 550 HH TYR 550 0.748 -9.519 -5.572 305 H ILE 551 HN ILE 551 -0.542 -5.656 1.603 306 HA ILE 551 HA ILE 551 0.072 -8.529 1.630 307 HB ILE 551 HB ILE 551 -0.228 -6.728 4.047 308 HG12 ILE 551 HG12 ILE 551 1.901 -8.675 3.128 309 HG13 ILE 551 HG13 ILE 551 2.040 -6.925 3.227 310 HG21 ILE 551 HG21 ILE 551 -1.671 -8.669 4.369 311 HG22 ILE 551 HG22 ILE 551 -0.266 -8.750 5.432 312 HG23 ILE 551 HG23 ILE 551 -0.332 -9.746 3.977 313 HD11 ILE 551 HD11 ILE 551 1.795 -8.850 5.523 314 HD12 ILE 551 HD12 ILE 551 1.797 -7.096 5.684 315 HD13 ILE 551 HD13 ILE 551 3.221 -7.924 5.055 316 H LEU 552 HN LEU 552 -1.686 -9.730 1.349 317 HA LEU 552 HA LEU 552 -4.266 -8.325 1.401 318 HB2 LEU 552 HB2 LEU 552 -3.235 -10.531 -0.370 319 HB3 LEU 552 HB1 LEU 552 -4.918 -10.041 -0.330 320 HG LEU 552 HG LEU 552 -2.672 -8.153 -1.016 321 HD11 LEU 552 HD11 LEU 552 -4.498 -9.666 -2.879 322 HD12 LEU 552 HD12 LEU 552 -2.783 -9.996 -2.641 323 HD13 LEU 552 HD13 LEU 552 -3.297 -8.461 -3.343 324 HD21 LEU 552 HD21 LEU 552 -4.494 -6.822 -1.967 325 HD22 LEU 552 HD22 LEU 552 -4.683 -7.074 -0.233 326 HD23 LEU 552 HD23 LEU 552 -5.657 -8.010 -1.370 327 H MET 553 HN MET 553 -5.456 -8.910 3.083 328 HA MET 553 HA MET 553 -5.544 -11.765 3.794 329 HB2 MET 553 HB2 MET 553 -6.507 -9.373 5.383 330 HB3 MET 553 HB3 MET 553 -6.549 -11.046 5.917 331 HG2 MET 553 HG2 MET 553 -4.066 -9.444 5.339 332 HG3 MET 553 HG3 MET 553 -4.708 -9.821 6.937 333 HE1 MET 553 HE1 MET 553 -1.479 -12.018 6.774 334 HE2 MET 553 HE2 MET 553 -2.350 -10.764 7.655 335 HE3 MET 553 HE3 MET 553 -1.690 -10.421 6.057 336 H LYS 554 HN LYS 554 -6.924 -12.371 2.112 337 HA LYS 554 HA LYS 554 -9.227 -10.870 1.400 338 HB2 LYS 554 HB2 LYS 554 -8.492 -13.731 0.775 339 HB3 LYS 554 HB3 LYS 554 -9.867 -12.891 0.081 340 HG2 LYS 554 HG2 LYS 554 -8.271 -12.720 -1.576 341 HG3 LYS 554 HG3 LYS 554 -8.113 -11.175 -0.738 342 HD2 LYS 554 HD2 LYS 554 -6.149 -11.883 0.381 343 HD3 LYS 554 HD3 LYS 554 -6.402 -13.565 -0.089 344 HE2 LYS 554 HE2 LYS 554 -5.875 -11.318 -2.030 345 HE3 LYS 554 HE3 LYS 554 -4.628 -12.388 -1.393 346 HZ1 LYS 554 HZ1 LYS 554 -5.784 -14.266 -2.380 347 HZ2 LYS 554 HZ2 LYS 554 -5.402 -13.119 -3.563 348 HZ3 LYS 554 HZ3 LYS 554 -6.986 -13.242 -2.986 349 H SER 555 HN SER 555 -8.627 -13.535 3.569 350 HA SER 555 HA SER 555 -11.291 -14.369 3.916 351 HB2 SER 555 HB2 SER 555 -10.411 -15.480 5.964 352 HB3 SER 555 HB3 SER 555 -9.455 -15.807 4.521 353 HG SER 555 HG SER 555 -8.803 -14.368 6.808 354 H THR 556 HN THR 556 -9.483 -11.741 5.331 355 HA THR 556 HA THR 556 -11.611 -11.300 7.293 356 HB THR 556 HB THR 556 -10.110 -9.582 8.254 357 HG1 THR 556 HG1 THR 556 -7.951 -9.497 7.434 358 HG21 THR 556 HG21 THR 556 -8.816 -12.282 7.862 359 HG22 THR 556 HG22 THR 556 -10.011 -11.877 9.092 360 HG23 THR 556 HG23 THR 556 -8.417 -11.125 9.131 361 H ASN 557 HN ASN 557 -11.148 -10.656 4.211 362 HA ASN 557 HA ASN 557 -11.881 -9.135 2.688 363 HB2 ASN 557 HB2 ASN 557 -13.615 -8.217 4.989 364 HB3 ASN 557 HB3 ASN 557 -13.870 -7.820 3.296 365 HD21 ASN 557 HD21 ASN 557 -14.695 -9.333 1.929 366 HD22 ASN 557 HD22 ASN 557 -15.416 -10.808 2.476 367 H GLN 558 HN GLN 558 -9.513 -8.444 3.999 368 HA GLN 558 HA GLN 558 -9.661 -5.524 3.962 369 HB2 GLN 558 HB2 GLN 558 -8.478 -7.164 6.211 370 HB3 GLN 558 HB3 GLN 558 -8.258 -5.434 6.031 371 HG2 GLN 558 HG2 GLN 558 -10.929 -6.791 6.370 372 HG3 GLN 558 HG3 GLN 558 -9.991 -6.081 7.687 373 HE21 GLN 558 HE21 GLN 558 -9.099 -3.816 6.058 374 HE22 GLN 558 HE22 GLN 558 -10.464 -2.779 5.904 375 H ALA 559 HN ALA 559 -7.695 -4.525 3.385 376 HA ALA 559 HA ALA 559 -5.469 -6.338 2.751 377 HB1 ALA 559 HB1 ALA 559 -6.718 -5.917 0.683 378 HB2 ALA 559 HB2 ALA 559 -5.097 -5.220 0.624 379 HB3 ALA 559 HB3 ALA 559 -6.495 -4.184 0.910 380 H PHE 560 HN PHE 560 -3.422 -5.399 2.718 381 HA PHE 560 HA PHE 560 -3.244 -2.729 3.947 382 HB2 PHE 560 HB2 PHE 560 -1.283 -5.017 4.250 383 HB3 PHE 560 HB1 PHE 560 -1.230 -3.469 5.083 384 HD1 PHE 560 HD1 PHE 560 -2.730 -6.770 4.970 385 HD2 PHE 560 HD2 PHE 560 -2.834 -2.964 6.870 386 HE1 PHE 560 HE1 PHE 560 -4.074 -7.725 6.794 387 HE2 PHE 560 HE2 PHE 560 -4.177 -3.913 8.700 388 HZ PHE 560 HZ PHE 560 -4.802 -6.298 8.659 389 H LEU 561 HN LEU 561 -2.166 -1.263 2.768 390 HA LEU 561 HA LEU 561 -0.573 -2.254 0.494 391 HB2 LEU 561 HB2 LEU 561 -2.895 -1.231 0.051 392 HB3 LEU 561 HB1 LEU 561 -2.158 0.299 0.478 393 HG LEU 561 HG LEU 561 -0.573 0.065 -1.380 394 HD11 LEU 561 HD11 LEU 561 -0.840 -1.713 -3.016 395 HD12 LEU 561 HD12 LEU 561 -2.102 -2.449 -2.027 396 HD13 LEU 561 HD13 LEU 561 -0.445 -2.373 -1.431 397 HD21 LEU 561 HD21 LEU 561 -2.776 1.169 -1.688 398 HD22 LEU 561 HD22 LEU 561 -3.421 -0.364 -2.272 399 HD23 LEU 561 HD23 LEU 561 -2.140 0.453 -3.167 400 H GLU 562 HN GLU 562 1.439 -1.427 0.302 401 HA GLU 562 HA GLU 562 2.302 0.377 2.451 402 HB2 GLU 562 HB2 GLU 562 3.420 -1.784 2.348 403 HB3 GLU 562 HB3 GLU 562 3.855 -1.497 0.668 404 HG2 GLU 562 HG2 GLU 562 5.753 -1.147 2.120 405 HG3 GLU 562 HG3 GLU 562 5.272 0.359 1.345 406 H MET 563 HN MET 563 3.449 2.232 2.070 407 HA MET 563 HA MET 563 3.335 3.138 -0.733 408 HB2 MET 563 HB2 MET 563 2.902 4.779 1.762 409 HB3 MET 563 HB3 MET 563 2.803 5.363 0.104 410 HG2 MET 563 HG2 MET 563 1.001 3.363 1.439 411 HG3 MET 563 HG3 MET 563 0.588 4.995 0.914 412 HE1 MET 563 HE1 MET 563 -0.969 2.241 0.233 413 HE2 MET 563 HE2 MET 563 -1.400 2.518 -1.454 414 HE3 MET 563 HE3 MET 563 -1.562 3.825 -0.280 415 H ALA 564 HN ALA 564 5.020 4.082 -1.601 416 HA ALA 564 HA ALA 564 7.593 3.776 -0.473 417 HB1 ALA 564 HB1 ALA 564 7.159 3.727 -2.889 418 HB2 ALA 564 HB2 ALA 564 8.398 4.910 -2.470 419 HB3 ALA 564 HB3 ALA 564 6.760 5.445 -2.846 420 H TYR 565 HN TYR 565 5.352 6.438 -0.626 421 HA TYR 565 HA TYR 565 7.302 8.167 0.750 422 HB2 TYR 565 HB2 TYR 565 5.143 9.174 -1.106 423 HB3 TYR 565 HB3 TYR 565 6.539 10.048 -0.493 424 HD1 TYR 565 HD1 TYR 565 5.237 8.632 -3.360 425 HD2 TYR 565 HD2 TYR 565 8.855 8.767 -1.128 426 HE1 TYR 565 HE1 TYR 565 6.510 8.092 -5.393 427 HE2 TYR 565 HE2 TYR 565 10.135 8.226 -3.152 428 HH TYR 565 HH TYR 565 8.918 8.496 -6.221 429 H THR 566 HN THR 566 6.540 9.134 2.566 430 HA THR 566 HA THR 566 4.148 8.123 3.700 431 HB THR 566 HB THR 566 6.070 8.673 5.105 432 HG1 THR 566 HG1 THR 566 4.705 10.240 6.536 433 HG21 THR 566 HG21 THR 566 6.555 11.036 5.674 434 HG22 THR 566 HG22 THR 566 5.469 11.541 4.381 435 HG23 THR 566 HG23 THR 566 6.934 10.639 3.999 436 H GLU 567 HN GLU 567 5.002 11.200 2.177 437 HA GLU 567 HA GLU 567 2.548 12.511 2.669 438 HB2 GLU 567 HB2 GLU 567 4.435 12.865 0.352 439 HB3 GLU 567 HB3 GLU 567 3.254 14.034 0.924 440 HG2 GLU 567 HG2 GLU 567 5.414 13.038 2.728 441 HG3 GLU 567 HG3 GLU 567 5.730 14.317 1.571 442 H ALA 568 HN ALA 568 3.646 10.326 0.189 443 HA ALA 568 HA ALA 568 1.488 10.564 -1.589 444 HB1 ALA 568 HB1 ALA 568 2.195 8.287 -2.339 445 HB2 ALA 568 HB2 ALA 568 3.340 8.260 -1.002 446 HB3 ALA 568 HB3 ALA 568 3.500 9.467 -2.277 447 H ALA 569 HN ALA 569 2.043 8.437 1.183 448 HA ALA 569 HA ALA 569 -0.305 6.907 0.957 449 HB1 ALA 569 HB1 ALA 569 1.681 6.342 2.348 450 HB2 ALA 569 HB2 ALA 569 0.142 6.177 3.191 451 HB3 ALA 569 HB3 ALA 569 1.169 7.578 3.496 452 H GLN 570 HN GLN 570 0.409 9.831 2.813 453 HA GLN 570 HA GLN 570 -2.118 10.010 4.071 454 HB2 GLN 570 HB2 GLN 570 0.018 12.069 3.521 455 HB3 GLN 570 HB3 GLN 570 -1.417 12.396 4.483 456 HG2 GLN 570 HG2 GLN 570 -0.759 10.838 6.144 457 HG3 GLN 570 HG3 GLN 570 0.534 10.206 5.124 458 HE21 GLN 570 HE21 GLN 570 2.417 11.354 4.894 459 HE22 GLN 570 HE22 GLN 570 2.837 12.673 5.930 460 H ALA 571 HN ALA 571 -0.772 11.549 1.164 461 HA ALA 571 HA ALA 571 -2.901 13.316 0.699 462 HB1 ALA 571 HB1 ALA 571 -1.006 12.129 -1.321 463 HB2 ALA 571 HB2 ALA 571 -0.697 13.559 -0.338 464 HB3 ALA 571 HB3 ALA 571 -1.989 13.577 -1.538 465 H MET 572 HN MET 572 -2.327 10.019 -0.488 466 HA MET 572 HA MET 572 -4.549 9.999 -2.234 467 HB2 MET 572 HB2 MET 572 -4.157 7.701 -2.535 468 HB3 MET 572 HB3 MET 572 -2.571 8.382 -2.229 469 HG2 MET 572 HG2 MET 572 -2.594 7.554 0.030 470 HG3 MET 572 HG3 MET 572 -4.257 7.001 -0.155 471 HE1 MET 572 HE1 MET 572 -0.552 6.552 -1.138 472 HE2 MET 572 HE2 MET 572 -1.277 6.760 -2.733 473 HE3 MET 572 HE3 MET 572 -0.600 5.200 -2.270 474 H VAL 573 HN VAL 573 -4.112 8.994 1.105 475 HA VAL 573 HA VAL 573 -6.652 7.800 1.356 476 HB VAL 573 HB VAL 573 -4.672 8.715 3.428 477 HG11 VAL 573 HG11 VAL 573 -6.118 7.194 4.913 478 HG12 VAL 573 HG12 VAL 573 -7.378 7.469 3.708 479 HG13 VAL 573 HG13 VAL 573 -6.690 8.829 4.591 480 HG21 VAL 573 HG21 VAL 573 -3.977 6.830 2.054 481 HG22 VAL 573 HG22 VAL 573 -5.502 6.005 2.386 482 HG23 VAL 573 HG23 VAL 573 -4.348 6.284 3.691 483 H GLN 574 HN GLN 574 -5.483 11.074 2.009 484 HA GLN 574 HA GLN 574 -7.737 11.982 3.399 485 HB2 GLN 574 HB2 GLN 574 -5.924 13.513 1.524 486 HB3 GLN 574 HB3 GLN 574 -7.105 14.255 2.593 487 HG2 GLN 574 HG2 GLN 574 -4.665 12.691 3.395 488 HG3 GLN 574 HG3 GLN 574 -4.927 14.424 3.573 489 HE21 GLN 574 HE21 GLN 574 -5.637 11.277 4.815 490 HE22 GLN 574 HE22 GLN 574 -6.397 11.792 6.280 491 H TYR 575 HN TYR 575 -7.069 11.720 -0.044 492 HA TYR 575 HA TYR 575 -9.591 12.692 -0.899 493 HB2 TYR 575 HB2 TYR 575 -7.721 12.617 -2.443 494 HB3 TYR 575 HB3 TYR 575 -7.622 10.867 -2.279 495 HD1 TYR 575 HD1 TYR 575 -9.934 13.576 -3.403 496 HD2 TYR 575 HD2 TYR 575 -8.779 9.498 -3.749 497 HE1 TYR 575 HE1 TYR 575 -11.486 13.301 -5.293 498 HE2 TYR 575 HE2 TYR 575 -10.320 9.213 -5.634 499 HH TYR 575 HH TYR 575 -12.339 10.230 -6.522 500 H TYR 576 HN TYR 576 -8.380 9.390 -0.278 501 HA TYR 576 HA TYR 576 -10.762 8.199 -1.290 502 HB2 TYR 576 HB2 TYR 576 -8.571 6.965 0.371 503 HB3 TYR 576 HB3 TYR 576 -9.856 6.079 -0.443 504 HD1 TYR 576 HD1 TYR 576 -6.664 6.174 -0.709 505 HD2 TYR 576 HD2 TYR 576 -9.935 7.584 -3.028 506 HE1 TYR 576 HE1 TYR 576 -5.271 6.070 -2.722 507 HE2 TYR 576 HE2 TYR 576 -8.551 7.486 -5.054 508 HH TYR 576 HH TYR 576 -5.712 5.833 -5.259 509 H GLN 577 HN GLN 577 -9.887 9.290 1.914 510 HA GLN 577 HA GLN 577 -11.882 7.752 3.234 511 HB2 GLN 577 HB2 GLN 577 -10.384 10.241 4.012 512 HB3 GLN 577 HB3 GLN 577 -11.677 9.601 5.020 513 HG2 GLN 577 HG2 GLN 577 -10.441 7.455 5.133 514 HG3 GLN 577 HG3 GLN 577 -9.129 8.211 4.232 515 HE21 GLN 577 HE21 GLN 577 -10.997 9.950 6.613 516 HE22 GLN 577 HE22 GLN 577 -9.742 10.068 7.790 517 H GLU 578 HN GLU 578 -11.930 10.733 1.459 518 HA GLU 578 HA GLU 578 -14.703 11.240 2.246 519 HB2 GLU 578 HB2 GLU 578 -12.745 12.921 0.679 520 HB3 GLU 578 HB3 GLU 578 -14.407 13.388 1.018 521 HG2 GLU 578 HG2 GLU 578 -12.211 12.929 3.023 522 HG3 GLU 578 HG3 GLU 578 -12.947 14.470 2.579 523 H LYS 579 HN LYS 579 -12.700 10.624 -0.588 524 HA LYS 579 HA LYS 579 -15.126 9.751 -2.021 525 HB2 LYS 579 HB2 LYS 579 -12.703 11.191 -3.107 526 HB3 LYS 579 HB3 LYS 579 -13.860 10.358 -4.133 527 HG2 LYS 579 HG2 LYS 579 -14.489 12.659 -2.293 528 HG3 LYS 579 HG3 LYS 579 -14.275 12.764 -4.042 529 HD2 LYS 579 HD2 LYS 579 -16.395 11.141 -2.631 530 HD3 LYS 579 HD3 LYS 579 -16.649 12.706 -3.400 531 HE2 LYS 579 HE2 LYS 579 -16.064 11.775 -5.559 532 HE3 LYS 579 HE3 LYS 579 -15.694 10.220 -4.818 533 HZ1 LYS 579 HZ1 LYS 579 -17.897 10.280 -5.858 534 HZ2 LYS 579 HZ2 LYS 579 -18.368 11.507 -4.790 535 HZ3 LYS 579 HZ3 LYS 579 -17.985 9.972 -4.198 536 HA PRO 580 HA PRO 580 -12.245 6.215 -1.447 537 HB2 PRO 580 HB2 PRO 580 -14.734 4.692 -1.140 538 HB3 PRO 580 HB3 PRO 580 -13.383 4.880 -0.014 539 HG2 PRO 580 HG2 PRO 580 -15.766 6.015 0.475 540 HG3 PRO 580 HG3 PRO 580 -14.243 6.826 0.909 541 HD2 PRO 580 HD2 PRO 580 -15.980 7.254 -1.509 542 HD3 PRO 580 HD3 PRO 580 -15.283 8.459 -0.398 543 H ALA 581 HN ALA 581 -11.992 4.212 -2.656 544 HA ALA 581 HA ALA 581 -12.868 4.630 -5.410 545 HB1 ALA 581 HB1 ALA 581 -10.747 2.776 -4.332 546 HB2 ALA 581 HB2 ALA 581 -10.460 4.399 -4.959 547 HB3 ALA 581 HB3 ALA 581 -11.060 3.133 -6.030 548 H ILE 582 HN ILE 582 -13.821 3.008 -6.658 549 HA ILE 582 HA ILE 582 -15.285 1.049 -5.026 550 HB ILE 582 HB ILE 582 -16.081 2.344 -7.640 551 HG12 ILE 582 HG12 ILE 582 -17.127 2.739 -4.830 552 HG13 ILE 582 HG13 ILE 582 -16.127 3.875 -5.714 553 HG21 ILE 582 HG21 ILE 582 -16.975 0.082 -7.450 554 HG22 ILE 582 HG22 ILE 582 -18.259 1.282 -7.291 555 HG23 ILE 582 HG23 ILE 582 -17.633 0.465 -5.859 556 HD11 ILE 582 HD11 ILE 582 -18.890 3.008 -6.517 557 HD12 ILE 582 HD12 ILE 582 -17.890 4.212 -7.332 558 HD13 ILE 582 HD13 ILE 582 -18.482 4.514 -5.697 559 H ILE 583 HN ILE 583 -15.045 -1.057 -5.413 560 HA ILE 583 HA ILE 583 -14.116 -1.876 -8.091 561 HB ILE 583 HB ILE 583 -13.497 -3.208 -5.449 562 HG12 ILE 583 HG12 ILE 583 -11.744 -1.955 -7.573 563 HG13 ILE 583 HG13 ILE 583 -12.004 -1.364 -5.935 564 HG21 ILE 583 HG21 ILE 583 -12.321 -4.921 -6.760 565 HG22 ILE 583 HG22 ILE 583 -12.917 -4.182 -8.246 566 HG23 ILE 583 HG23 ILE 583 -14.051 -4.902 -7.103 567 HD11 ILE 583 HD11 ILE 583 -9.848 -2.470 -6.156 568 HD12 ILE 583 HD12 ILE 583 -10.653 -3.949 -6.677 569 HD13 ILE 583 HD13 ILE 583 -10.898 -3.343 -5.042 570 H ASN 584 HN ASN 584 -15.704 -2.776 -9.171 571 HA ASN 584 HA ASN 584 -17.488 -4.047 -9.749 572 HB2 ASN 584 HB2 ASN 584 -16.547 -5.733 -7.421 573 HB3 ASN 584 HB3 ASN 584 -17.683 -6.258 -8.658 574 HD21 ASN 584 HD21 ASN 584 -15.146 -7.425 -7.984 575 HD22 ASN 584 HD22 ASN 584 -14.166 -7.352 -9.404 576 H GLY 585 HN GLY 585 -18.180 -1.864 -8.233 577 HA2 GLY 585 HA2 GLY 585 -20.274 -1.122 -7.532 578 HA3 GLY 585 HA1 GLY 585 -20.739 -2.788 -7.240 579 H GLU 586 HN GLU 586 -17.871 -2.573 -5.722 580 HA GLU 586 HA GLU 586 -19.184 -1.912 -3.178 581 HB2 GLU 586 HB2 GLU 586 -16.572 -3.365 -3.653 582 HB3 GLU 586 HB3 GLU 586 -17.380 -3.157 -2.104 583 HG2 GLU 586 HG2 GLU 586 -18.454 -4.698 -4.451 584 HG3 GLU 586 HG3 GLU 586 -17.697 -5.397 -3.020 585 H LYS 587 HN LYS 587 -18.685 -0.089 -2.169 586 HA LYS 587 HA LYS 587 -16.550 1.592 -3.175 587 HB2 LYS 587 HB2 LYS 587 -18.414 2.078 -0.839 588 HB3 LYS 587 HB3 LYS 587 -17.430 3.277 -1.667 589 HG2 LYS 587 HG2 LYS 587 -18.764 3.122 -3.639 590 HG3 LYS 587 HG3 LYS 587 -19.636 1.726 -3.001 591 HD2 LYS 587 HD2 LYS 587 -21.081 3.572 -2.708 592 HD3 LYS 587 HD3 LYS 587 -20.403 3.241 -1.116 593 HE2 LYS 587 HE2 LYS 587 -20.389 5.610 -1.465 594 HE3 LYS 587 HE3 LYS 587 -18.725 5.032 -1.525 595 HZ1 LYS 587 HZ1 LYS 587 -18.762 5.153 -3.903 596 HZ2 LYS 587 HZ2 LYS 587 -19.271 6.641 -3.290 597 HZ3 LYS 587 HZ3 LYS 587 -20.406 5.553 -3.918 598 H LEU 588 HN LEU 588 -14.547 1.091 -2.528 599 HA LEU 588 HA LEU 588 -14.091 -0.199 0.030 600 HB2 LEU 588 HB2 LEU 588 -12.044 0.775 -1.950 601 HB3 LEU 588 HB1 LEU 588 -11.792 -0.358 -0.642 602 HG LEU 588 HG LEU 588 -13.325 -0.834 -3.185 603 HD11 LEU 588 HD11 LEU 588 -10.740 -1.833 -2.023 604 HD12 LEU 588 HD12 LEU 588 -10.989 -0.945 -3.527 605 HD13 LEU 588 HD13 LEU 588 -11.552 -2.611 -3.383 606 HD21 LEU 588 HD21 LEU 588 -12.969 -2.640 -0.791 607 HD22 LEU 588 HD22 LEU 588 -13.644 -3.125 -2.347 608 HD23 LEU 588 HD23 LEU 588 -14.485 -1.936 -1.354 609 H LEU 589 HN LEU 589 -13.693 0.914 1.839 610 HA LEU 589 HA LEU 589 -12.919 3.687 1.658 611 HB2 LEU 589 HB2 LEU 589 -14.470 2.835 3.429 612 HB3 LEU 589 HB1 LEU 589 -13.127 1.940 4.112 613 HG LEU 589 HG LEU 589 -11.945 4.041 4.575 614 HD11 LEU 589 HD11 LEU 589 -14.424 5.346 3.459 615 HD12 LEU 589 HD12 LEU 589 -12.799 5.411 2.774 616 HD13 LEU 589 HD13 LEU 589 -13.134 6.181 4.323 617 HD21 LEU 589 HD21 LEU 589 -14.772 3.993 5.622 618 HD22 LEU 589 HD22 LEU 589 -13.414 4.854 6.347 619 HD23 LEU 589 HD23 LEU 589 -13.405 3.092 6.279 620 H ILE 590 HN ILE 590 -10.920 4.048 1.043 621 HA ILE 590 HA ILE 590 -8.731 2.345 1.986 622 HB ILE 590 HB ILE 590 -8.654 4.690 0.071 623 HG12 ILE 590 HG12 ILE 590 -8.799 1.740 -0.548 624 HG13 ILE 590 HG13 ILE 590 -10.041 2.937 -0.867 625 HG21 ILE 590 HG21 ILE 590 -6.626 2.549 0.657 626 HG22 ILE 590 HG22 ILE 590 -6.508 4.259 1.067 627 HG23 ILE 590 HG23 ILE 590 -6.488 3.755 -0.623 628 HD11 ILE 590 HD11 ILE 590 -7.317 2.828 -2.146 629 HD12 ILE 590 HD12 ILE 590 -8.536 4.067 -2.447 630 HD13 ILE 590 HD13 ILE 590 -8.849 2.391 -2.901 631 H ARG 591 HN ARG 591 -7.757 2.933 3.857 632 HA ARG 591 HA ARG 591 -7.443 5.776 4.430 633 HB2 ARG 591 HB2 ARG 591 -8.379 5.539 6.713 634 HB3 ARG 591 HB3 ARG 591 -9.561 5.383 5.425 635 HG2 ARG 591 HG2 ARG 591 -9.527 2.957 5.681 636 HG3 ARG 591 HG3 ARG 591 -8.330 3.113 6.973 637 HD2 ARG 591 HD2 ARG 591 -9.877 4.327 8.341 638 HD3 ARG 591 HD3 ARG 591 -11.046 4.416 7.026 639 HE ARG 591 HE ARG 591 -10.431 1.720 7.683 640 HH11 ARG 591 HH11 ARG 591 -12.227 4.503 8.804 641 HH12 ARG 591 HH12 ARG 591 -13.448 3.559 9.597 642 HH21 ARG 591 HH21 ARG 591 -12.052 0.467 8.715 643 HH22 ARG 591 HH22 ARG 591 -13.357 1.264 9.530 644 H MET 592 HN MET 592 -6.241 6.202 6.457 645 HA MET 592 HA MET 592 -3.717 4.925 6.246 646 HB2 MET 592 HB2 MET 592 -4.722 6.845 8.360 647 HB3 MET 592 HB3 MET 592 -3.042 6.440 8.061 648 HG2 MET 592 HG2 MET 592 -4.472 7.478 5.723 649 HG3 MET 592 HG3 MET 592 -4.335 8.604 7.070 650 HE1 MET 592 HE1 MET 592 -0.703 6.686 4.950 651 HE2 MET 592 HE2 MET 592 -2.380 6.384 4.498 652 HE3 MET 592 HE3 MET 592 -1.754 5.763 6.025 653 H SER 593 HN SER 593 -2.902 3.227 7.331 654 HA SER 593 HA SER 593 -4.452 2.027 9.475 655 HB2 SER 593 HB2 SER 593 -3.424 0.595 7.731 656 HB3 SER 593 HB3 SER 593 -1.828 1.133 8.250 657 HG SER 593 HG SER 593 -3.667 -0.546 9.558 658 H THR 594 HN THR 594 -4.063 2.293 11.568 659 HA THR 594 HA THR 594 -1.615 3.661 12.409 660 HB THR 594 HB THR 594 -4.005 2.971 14.131 661 HG1 THR 594 HG1 THR 594 -3.584 5.076 12.292 662 HG21 THR 594 HG21 THR 594 -3.222 4.840 15.498 663 HG22 THR 594 HG22 THR 594 -1.893 5.121 14.373 664 HG23 THR 594 HG23 THR 594 -1.950 3.631 15.315 665 H ARG 595 HN ARG 595 -2.757 0.590 11.980 666 HA ARG 595 HA ARG 595 -1.592 -0.584 14.367 667 HB2 ARG 595 HB2 ARG 595 -3.035 -1.783 12.003 668 HB3 ARG 595 HB3 ARG 595 -2.373 -2.741 13.320 669 HG2 ARG 595 HG2 ARG 595 -3.849 -1.715 14.896 670 HG3 ARG 595 HG3 ARG 595 -4.410 -0.557 13.689 671 HD2 ARG 595 HD2 ARG 595 -6.028 -2.357 14.033 672 HD3 ARG 595 HD3 ARG 595 -5.393 -2.360 12.391 673 HE ARG 595 HE ARG 595 -3.879 -4.118 13.996 674 HH11 ARG 595 HH11 ARG 595 -7.043 -3.821 12.528 675 HH12 ARG 595 HH12 ARG 595 -7.279 -5.534 12.373 676 HH21 ARG 595 HH21 ARG 595 -4.179 -6.382 13.790 677 HH22 ARG 595 HH22 ARG 595 -5.648 -6.994 13.098 678 H TYR 596 HN TYR 596 -0.989 -0.487 10.881 679 HA TYR 596 HA TYR 596 1.552 -1.898 11.343 680 HB2 TYR 596 HB2 TYR 596 -0.057 -1.493 8.815 681 HB3 TYR 596 HB3 TYR 596 1.559 -2.187 8.839 682 HD1 TYR 596 HD1 TYR 596 1.685 -4.475 8.754 683 HD2 TYR 596 HD2 TYR 596 -1.726 -2.707 10.579 684 HE1 TYR 596 HE1 TYR 596 0.728 -6.709 9.112 685 HE2 TYR 596 HE2 TYR 596 -2.691 -4.937 10.949 686 HH TYR 596 HH TYR 596 -2.503 -7.207 9.979 687 H LYS 597 HN LYS 597 3.432 -0.896 11.036 688 HA LYS 597 HA LYS 597 3.417 1.907 10.253 689 HB2 LYS 597 HB2 LYS 597 4.693 1.337 12.235 690 HB3 LYS 597 HB3 LYS 597 5.602 0.123 11.346 691 HG2 LYS 597 HG2 LYS 597 6.508 1.949 9.913 692 HG3 LYS 597 HG3 LYS 597 5.717 3.107 10.982 693 HD2 LYS 597 HD2 LYS 597 7.737 1.059 11.885 694 HD3 LYS 597 HD3 LYS 597 8.125 2.732 11.492 695 HE2 LYS 597 HE2 LYS 597 6.586 3.486 13.250 696 HE3 LYS 597 HE3 LYS 597 6.241 1.806 13.654 697 HZ1 LYS 597 HZ1 LYS 597 8.561 1.502 14.239 698 HZ2 LYS 597 HZ2 LYS 597 7.893 2.770 15.136 699 HZ3 LYS 597 HZ3 LYS 597 8.904 3.105 13.824 700 H GLU 598 HN GLU 598 4.775 -1.176 9.251 701 HA GLU 598 HA GLU 598 5.069 -0.246 6.527 702 HB2 GLU 598 HB2 GLU 598 7.454 -0.933 6.395 703 HB3 GLU 598 HB3 GLU 598 7.202 0.462 7.435 704 HG2 GLU 598 HG2 GLU 598 7.333 -0.981 9.402 705 HG3 GLU 598 HG3 GLU 598 7.593 -2.377 8.357 706 H LEU 599 HN LEU 599 5.132 -1.937 5.052 707 HA LEU 599 HA LEU 599 4.327 -4.519 6.163 708 HB2 LEU 599 HB2 LEU 599 4.326 -3.513 3.321 709 HB3 LEU 599 HB1 LEU 599 3.780 -5.103 3.817 710 HG LEU 599 HG LEU 599 2.524 -2.466 4.581 711 HD11 LEU 599 HD11 LEU 599 2.087 -3.182 2.280 712 HD12 LEU 599 HD12 LEU 599 0.639 -3.269 3.285 713 HD13 LEU 599 HD13 LEU 599 1.524 -4.740 2.886 714 HD21 LEU 599 HD21 LEU 599 1.684 -5.264 5.291 715 HD22 LEU 599 HD22 LEU 599 0.809 -3.784 5.670 716 HD23 LEU 599 HD23 LEU 599 2.381 -4.093 6.411 717 H GLN 600 HN GLN 600 5.874 -5.867 6.646 718 HA GLN 600 HA GLN 600 8.139 -6.162 4.802 719 HB2 GLN 600 HB2 GLN 600 7.801 -7.064 7.669 720 HB3 GLN 600 HB3 GLN 600 9.197 -7.446 6.670 721 HG2 GLN 600 HG2 GLN 600 9.708 -5.075 6.455 722 HG3 GLN 600 HG3 GLN 600 8.295 -4.674 7.427 723 HE21 GLN 600 HE21 GLN 600 9.568 -3.623 8.949 724 HE22 GLN 600 HE22 GLN 600 10.541 -4.493 10.081 725 H LEU 601 HN LEU 601 7.551 -7.523 3.264 726 HA LEU 601 HA LEU 601 5.508 -9.428 3.480 727 HB2 LEU 601 HB2 LEU 601 7.734 -9.277 1.451 728 HB3 LEU 601 HB1 LEU 601 6.256 -10.203 1.279 729 HG LEU 601 HG LEU 601 6.507 -7.198 1.363 730 HD11 LEU 601 HD11 LEU 601 5.603 -9.085 -0.808 731 HD12 LEU 601 HD12 LEU 601 7.139 -8.220 -0.758 732 HD13 LEU 601 HD13 LEU 601 5.628 -7.324 -0.908 733 HD21 LEU 601 HD21 LEU 601 4.040 -8.925 1.244 734 HD22 LEU 601 HD22 LEU 601 4.072 -7.183 0.971 735 HD23 LEU 601 HD23 LEU 601 4.503 -7.835 2.551 736 H LYS 602 HN LYS 602 5.469 -11.583 3.676 737 HA LYS 602 HA LYS 602 7.547 -12.860 5.154 738 HB2 LYS 602 HB2 LYS 602 5.187 -13.349 5.546 739 HB3 LYS 602 HB3 LYS 602 5.004 -13.920 3.898 740 HG2 LYS 602 HG2 LYS 602 6.984 -15.263 5.670 741 HG3 LYS 602 HG3 LYS 602 5.269 -15.585 5.912 742 HD2 LYS 602 HD2 LYS 602 6.692 -15.901 3.268 743 HD3 LYS 602 HD3 LYS 602 6.441 -17.216 4.416 744 HE2 LYS 602 HE2 LYS 602 4.331 -15.630 2.960 745 HE3 LYS 602 HE3 LYS 602 4.741 -17.324 2.728 746 HZ1 LYS 602 HZ1 LYS 602 2.768 -17.175 4.033 747 HZ2 LYS 602 HZ2 LYS 602 3.488 -16.116 5.130 748 HZ3 LYS 602 HZ3 LYS 602 4.011 -17.721 5.042 749 H LYS 603 HN LYS 603 6.606 -12.719 1.816 750 HA LYS 603 HA LYS 603 8.187 -15.008 1.041 751 HB2 LYS 603 HB2 LYS 603 6.797 -12.932 -0.659 752 HB3 LYS 603 HB3 LYS 603 7.486 -14.442 -1.239 753 HG2 LYS 603 HG2 LYS 603 5.885 -15.688 0.144 754 HG3 LYS 603 HG3 LYS 603 5.175 -14.161 0.672 755 HD2 LYS 603 HD2 LYS 603 5.290 -15.184 -2.165 756 HD3 LYS 603 HD3 LYS 603 3.863 -15.160 -1.128 757 HE2 LYS 603 HE2 LYS 603 4.045 -12.695 -1.004 758 HE3 LYS 603 HE3 LYS 603 5.401 -12.764 -2.129 759 HZ1 LYS 603 HZ1 LYS 603 2.614 -13.627 -2.679 760 HZ2 LYS 603 HZ2 LYS 603 3.908 -13.801 -3.754 761 HZ3 LYS 603 HZ3 LYS 603 3.385 -12.259 -3.306 762 HA PRO 604 HA PRO 604 11.987 -12.771 0.863 763 HB2 PRO 604 HB2 PRO 604 13.298 -14.515 -0.829 764 HB3 PRO 604 HB3 PRO 604 13.153 -14.723 0.917 765 HG2 PRO 604 HG2 PRO 604 11.570 -15.974 -1.280 766 HG3 PRO 604 HG3 PRO 604 12.144 -16.686 0.238 767 HD2 PRO 604 HD2 PRO 604 9.587 -15.920 -0.099 768 HD3 PRO 604 HD3 PRO 604 10.411 -15.774 1.468 769 H GLY 605 HN GLY 605 12.726 -11.172 -0.354 770 HA2 GLY 605 HA2 GLY 605 13.108 -11.086 -3.076 771 HA3 GLY 605 HA1 GLY 605 11.458 -10.531 -2.819 772 H LYS 606 HN LYS 606 12.668 -8.650 -3.896 773 HA LYS 606 HA LYS 606 13.242 -6.469 -3.763 774 HB2 LYS 606 HB2 LYS 606 12.710 -6.948 -0.843 775 HB3 LYS 606 HB3 LYS 606 13.278 -5.394 -1.439 776 HG2 LYS 606 HG2 LYS 606 10.871 -6.671 -2.655 777 HG3 LYS 606 HG3 LYS 606 10.740 -5.801 -1.126 778 HD2 LYS 606 HD2 LYS 606 11.596 -3.790 -2.146 779 HD3 LYS 606 HD3 LYS 606 11.904 -4.645 -3.658 780 HE2 LYS 606 HE2 LYS 606 9.787 -3.193 -3.473 781 HE3 LYS 606 HE3 LYS 606 9.636 -4.807 -4.167 782 HZ1 LYS 606 HZ1 LYS 606 9.080 -4.174 -1.328 783 HZ2 LYS 606 HZ2 LYS 606 8.744 -5.621 -2.140 784 HZ3 LYS 606 HZ3 LYS 606 7.893 -4.213 -2.533 785 H ASN 607 HN ASN 607 15.163 -5.779 -4.236 786 HA ASN 607 HA ASN 607 17.561 -6.971 -3.356 787 HB2 ASN 607 HB2 ASN 607 17.380 -5.796 -5.498 788 HB3 ASN 607 HB3 ASN 607 17.086 -4.277 -4.659 789 HD21 ASN 607 HD21 ASN 607 18.796 -3.330 -3.483 790 HD22 ASN 607 HD22 ASN 607 20.446 -3.703 -3.848 791 H VAL 608 HN VAL 608 18.302 -6.852 -1.331 792 HA VAL 608 HA VAL 608 17.812 -4.447 0.261 793 HB VAL 608 HB VAL 608 18.955 -7.118 1.108 794 HG11 VAL 608 HG11 VAL 608 19.715 -5.305 2.546 795 HG12 VAL 608 HG12 VAL 608 18.562 -6.333 3.396 796 HG13 VAL 608 HG13 VAL 608 18.050 -4.766 2.767 797 HG21 VAL 608 HG21 VAL 608 16.770 -7.481 2.163 798 HG22 VAL 608 HG22 VAL 608 16.629 -7.306 0.414 799 HG23 VAL 608 HG23 VAL 608 16.191 -5.966 1.473 800 H ALA 609 HN ALA 609 20.406 -6.299 -1.187 801 HA ALA 609 HA ALA 609 22.547 -4.917 0.088 802 HB1 ALA 609 HB1 ALA 609 23.979 -5.987 -1.554 803 HB2 ALA 609 HB2 ALA 609 22.571 -6.455 -2.506 804 HB3 ALA 609 HB3 ALA 609 22.823 -7.151 -0.907 805 H ALA 610 HN ALA 610 22.478 -2.767 -0.105 806 HA ALA 610 HA ALA 610 22.456 -0.672 -0.957 807 HB1 ALA 610 HB1 ALA 610 23.527 -1.990 -3.441 808 HB2 ALA 610 HB2 ALA 610 24.490 -1.415 -2.080 809 HB3 ALA 610 HB3 ALA 610 23.579 -0.270 -3.063 810 H ILE 611 HN ILE 611 20.263 -0.488 -0.850 811 HA ILE 611 HA ILE 611 18.497 -1.505 -2.842 812 HB ILE 611 HB ILE 611 17.939 0.544 -0.685 813 HG12 ILE 611 HG12 ILE 611 17.502 -2.451 -0.677 814 HG13 ILE 611 HG13 ILE 611 18.791 -1.620 0.184 815 HG21 ILE 611 HG21 ILE 611 16.063 -1.182 -2.303 816 HG22 ILE 611 HG22 ILE 611 16.255 0.564 -2.446 817 HG23 ILE 611 HG23 ILE 611 15.593 -0.133 -0.966 818 HD11 ILE 611 HD11 ILE 611 16.971 -2.204 1.675 819 HD12 ILE 611 HD12 ILE 611 15.841 -1.290 0.677 820 HD13 ILE 611 HD13 ILE 611 17.131 -0.453 1.540 821 H ILE 612 HN ILE 612 19.470 -0.557 -4.745 822 HA ILE 612 HA ILE 612 18.990 2.277 -5.168 823 HB ILE 612 HB ILE 612 19.901 0.200 -7.167 824 HG12 ILE 612 HG12 ILE 612 21.588 2.054 -5.467 825 HG13 ILE 612 HG13 ILE 612 21.418 0.322 -5.207 826 HG21 ILE 612 HG21 ILE 612 20.140 3.213 -7.160 827 HG22 ILE 612 HG22 ILE 612 19.046 2.264 -8.165 828 HG23 ILE 612 HG23 ILE 612 20.791 2.135 -8.395 829 HD11 ILE 612 HD11 ILE 612 23.501 0.850 -6.332 830 HD12 ILE 612 HD12 ILE 612 22.609 1.630 -7.640 831 HD13 ILE 612 HD13 ILE 612 22.446 -0.107 -7.373 832 H GLN 613 HN GLN 613 16.687 1.680 -4.559 833 HA GLN 613 HA GLN 613 15.172 0.930 -6.972 834 HB2 GLN 613 HB2 GLN 613 14.514 0.356 -4.076 835 HB3 GLN 613 HB3 GLN 613 13.402 0.095 -5.411 836 HG2 GLN 613 HG2 GLN 613 16.081 -1.245 -5.154 837 HG3 GLN 613 HG3 GLN 613 14.558 -1.950 -4.617 838 HE21 GLN 613 HE21 GLN 613 16.519 -1.097 -7.346 839 HE22 GLN 613 HE22 GLN 613 15.589 -1.943 -8.534 840 H ASP 614 HN ASP 614 13.331 2.105 -7.408 841 HA ASP 614 HA ASP 614 11.775 3.747 -7.348 842 HB2 ASP 614 HB2 ASP 614 11.365 3.237 -5.011 843 HB3 ASP 614 HB3 ASP 614 12.741 4.220 -4.524 844 H ILE 615 HN ILE 615 14.962 4.599 -6.133 845 HA ILE 615 HA ILE 615 16.467 6.109 -6.914 846 HB ILE 615 HB ILE 615 14.326 6.524 -8.957 847 HG12 ILE 615 HG12 ILE 615 16.236 5.973 -10.482 848 HG13 ILE 615 HG13 ILE 615 17.250 5.766 -9.061 849 HG21 ILE 615 HG21 ILE 615 15.064 8.795 -8.513 850 HG22 ILE 615 HG22 ILE 615 15.631 8.247 -10.090 851 HG23 ILE 615 HG23 ILE 615 16.745 8.303 -8.725 852 HD11 ILE 615 HD11 ILE 615 14.803 4.149 -9.727 853 HD12 ILE 615 HD12 ILE 615 15.832 3.933 -8.312 854 HD13 ILE 615 HD13 ILE 615 16.477 3.635 -9.926 855 H HIS 616 HN HIS 616 13.340 7.011 -5.822 856 HA HIS 616 HA HIS 616 14.327 9.660 -5.015 857 HB2 HIS 616 HB2 HIS 616 11.550 8.492 -4.685 858 HB3 HIS 616 HB3 HIS 616 12.026 10.152 -4.350 859 HD1 HIS 616 HD1 HIS 616 10.031 8.643 -6.617 860 HD2 HIS 616 HD2 HIS 616 13.435 10.978 -7.130 861 HE1 HIS 616 HE1 HIS 616 9.876 9.568 -8.954 862 HE2 HIS 616 HE2 HIS 616 11.970 10.933 -9.261 863 H SER 617 HN SER 617 14.572 6.646 -4.033 864 HA SER 617 HA SER 617 14.296 7.207 -1.169 865 HB2 SER 617 HB2 SER 617 13.268 5.115 -2.043 866 HB3 SER 617 HB3 SER 617 14.858 4.583 -2.581 867 HG SER 617 HG SER 617 14.313 5.273 0.113 868 H GLN 618 HN GLN 618 16.535 5.327 -3.169 869 HA GLN 618 HA GLN 618 18.792 6.782 -2.004 870 HB2 GLN 618 HB2 GLN 618 18.531 3.775 -2.210 871 HB3 GLN 618 HB3 GLN 618 20.029 4.613 -1.833 872 HG2 GLN 618 HG2 GLN 618 18.968 5.556 0.177 873 HG3 GLN 618 HG3 GLN 618 17.504 4.647 -0.197 874 HE21 GLN 618 HE21 GLN 618 18.971 2.332 -1.163 875 HE22 GLN 618 HE22 GLN 618 19.606 1.543 0.242 876 H ARG 619 HN ARG 619 20.631 6.854 -3.344 877 HA ARG 619 HA ARG 619 20.129 6.058 -6.130 878 HB2 ARG 619 HB2 ARG 619 21.209 8.713 -5.169 879 HB3 ARG 619 HB3 ARG 619 21.103 8.216 -6.851 880 HG2 ARG 619 HG2 ARG 619 18.713 8.167 -6.755 881 HG3 ARG 619 HG3 ARG 619 18.733 8.446 -5.013 882 HD2 ARG 619 HD2 ARG 619 19.736 10.646 -5.383 883 HD3 ARG 619 HD3 ARG 619 19.712 10.365 -7.121 884 HE ARG 619 HE ARG 619 17.118 10.019 -6.339 885 HH11 ARG 619 HH11 ARG 619 19.465 12.581 -5.986 886 HH12 ARG 619 HH12 ARG 619 18.290 13.854 -6.069 887 HH21 ARG 619 HH21 ARG 619 15.551 11.699 -6.440 888 HH22 ARG 619 HH22 ARG 619 16.057 13.351 -6.311 889 H GLU 620 HN GLU 620 21.517 4.339 -4.900 890 HA GLU 620 HA GLU 620 23.427 3.123 -5.044 891 HB2 GLU 620 HB2 GLU 620 23.727 4.106 -7.284 892 HB3 GLU 620 HB3 GLU 620 24.557 5.479 -6.565 893 HG2 GLU 620 HG2 GLU 620 26.249 3.852 -5.674 894 HG3 GLU 620 HG3 GLU 620 25.473 2.621 -6.668 895 H ARG 621 HN ARG 621 25.261 2.804 -3.795 896 HA ARG 621 HA ARG 621 25.910 5.019 -1.980 897 HB2 ARG 621 HB2 ARG 621 26.870 3.208 -0.504 898 HB3 ARG 621 HB3 ARG 621 25.127 3.173 -0.709 899 HG2 ARG 621 HG2 ARG 621 25.306 1.347 -2.278 900 HG3 ARG 621 HG3 ARG 621 27.068 1.427 -2.209 901 HD2 ARG 621 HD2 ARG 621 25.243 0.784 0.104 902 HD3 ARG 621 HD3 ARG 621 26.173 -0.392 -0.823 903 HE ARG 621 HE ARG 621 28.035 1.394 0.071 904 HH11 ARG 621 HH11 ARG 621 25.613 -0.620 1.597 905 HH12 ARG 621 HH12 ARG 621 26.502 -0.777 3.080 906 HH21 ARG 621 HH21 ARG 621 29.218 1.166 2.003 907 HH22 ARG 621 HH22 ARG 621 28.559 0.226 3.306 Start of MODEL 10 1 H1 GLY 510 HT1 GLY 510 12.383 -10.596 -6.648 2 H2 GLY 510 HT2 GLY 510 12.167 -9.065 -7.333 3 H3 GLY 510 HT3 GLY 510 10.983 -9.709 -6.316 4 HA2 GLY 510 HA1 GLY 510 12.514 -9.643 -4.450 5 HA3 GLY 510 HA2 GLY 510 13.732 -8.949 -5.514 6 H ALA 511 HN ALA 511 12.974 -7.633 -3.229 7 HA ALA 511 HA ALA 511 12.001 -5.158 -4.313 8 HB1 ALA 511 HB1 ALA 511 10.119 -4.898 -2.783 9 HB2 ALA 511 HB2 ALA 511 10.379 -6.534 -2.175 10 HB3 ALA 511 HB3 ALA 511 9.884 -6.283 -3.849 11 H MET 512 HN MET 512 14.228 -4.767 -3.620 12 HA MET 512 HA MET 512 14.733 -4.595 -0.778 13 HB2 MET 512 HB2 MET 512 16.345 -3.582 -3.132 14 HB3 MET 512 HB3 MET 512 16.881 -3.565 -1.459 15 HG2 MET 512 HG2 MET 512 16.757 -6.008 -1.402 16 HG3 MET 512 HG3 MET 512 16.253 -6.012 -3.091 17 HE1 MET 512 HE1 MET 512 18.198 -7.672 -3.729 18 HE2 MET 512 HE2 MET 512 18.700 -7.716 -2.040 19 HE3 MET 512 HE3 MET 512 19.889 -7.412 -3.305 20 H ALA 513 HN ALA 513 12.623 -3.288 -0.787 21 HA ALA 513 HA ALA 513 12.833 -0.546 -1.688 22 HB1 ALA 513 HB1 ALA 513 10.739 -1.888 -1.866 23 HB2 ALA 513 HB2 ALA 513 10.544 -0.339 -1.047 24 HB3 ALA 513 HB3 ALA 513 10.614 -1.828 -0.107 25 H GLN 514 HN GLN 514 12.676 1.259 -0.389 26 HA GLN 514 HA GLN 514 13.595 0.960 2.372 27 HB2 GLN 514 HB2 GLN 514 13.276 3.373 0.583 28 HB3 GLN 514 HB3 GLN 514 13.695 3.491 2.290 29 HG2 GLN 514 HG2 GLN 514 15.287 2.075 0.157 30 HG3 GLN 514 HG3 GLN 514 15.676 3.632 0.891 31 HE21 GLN 514 HE21 GLN 514 16.459 3.694 2.981 32 HE22 GLN 514 HE22 GLN 514 17.053 2.290 3.790 33 H ARG 515 HN ARG 515 10.838 0.833 0.786 34 HA ARG 515 HA ARG 515 8.656 1.004 1.279 35 HB2 ARG 515 HB2 ARG 515 9.656 1.476 4.095 36 HB3 ARG 515 HB3 ARG 515 7.982 1.170 3.662 37 HG2 ARG 515 HG2 ARG 515 8.686 -0.908 4.356 38 HG3 ARG 515 HG3 ARG 515 8.918 -1.014 2.612 39 HD2 ARG 515 HD2 ARG 515 10.826 -1.940 3.823 40 HD3 ARG 515 HD3 ARG 515 11.288 -0.521 2.883 41 HE ARG 515 HE ARG 515 10.609 0.059 5.629 42 HH11 ARG 515 HH11 ARG 515 13.180 -0.896 3.430 43 HH12 ARG 515 HH12 ARG 515 14.445 -0.323 4.468 44 HH21 ARG 515 HH21 ARG 515 12.265 0.851 6.964 45 HH22 ARG 515 HH22 ARG 515 13.922 0.674 6.492 46 H LYS 516 HN LYS 516 9.507 3.324 3.783 47 HA LYS 516 HA LYS 516 8.862 5.526 1.943 48 HB2 LYS 516 HB2 LYS 516 7.766 5.103 4.725 49 HB3 LYS 516 HB3 LYS 516 7.744 6.663 3.922 50 HG2 LYS 516 HG2 LYS 516 5.852 6.131 2.928 51 HG3 LYS 516 HG3 LYS 516 6.636 4.758 2.146 52 HD2 LYS 516 HD2 LYS 516 5.539 4.680 4.940 53 HD3 LYS 516 HD3 LYS 516 4.612 4.197 3.523 54 HE2 LYS 516 HE2 LYS 516 6.363 2.528 3.004 55 HE3 LYS 516 HE3 LYS 516 7.193 2.975 4.492 56 HZ1 LYS 516 HZ1 LYS 516 5.470 2.094 5.792 57 HZ2 LYS 516 HZ2 LYS 516 5.695 0.946 4.558 58 HZ3 LYS 516 HZ3 LYS 516 4.393 2.030 4.489 59 H GLY 517 HN GLY 517 10.805 4.172 4.373 60 HA2 GLY 517 HA2 GLY 517 12.761 4.973 5.338 61 HA3 GLY 517 HA1 GLY 517 12.463 6.528 4.569 62 H ALA 518 HN ALA 518 9.668 6.132 5.682 63 HA ALA 518 HA ALA 518 10.194 7.177 8.389 64 HB1 ALA 518 HB1 ALA 518 9.217 8.861 6.922 65 HB2 ALA 518 HB2 ALA 518 8.077 8.410 8.190 66 HB3 ALA 518 HB3 ALA 518 7.872 7.781 6.556 67 H GLY 519 HN GLY 519 7.163 6.036 6.905 68 HA2 GLY 519 HA2 GLY 519 6.788 3.560 7.312 69 HA3 GLY 519 HA1 GLY 519 7.065 3.973 8.993 70 H ARG 520 HN ARG 520 4.879 4.360 6.268 71 HA ARG 520 HA ARG 520 2.684 4.200 8.171 72 HB2 ARG 520 HB2 ARG 520 2.730 6.185 5.880 73 HB3 ARG 520 HB3 ARG 520 1.345 5.852 6.906 74 HG2 ARG 520 HG2 ARG 520 2.857 6.572 8.848 75 HG3 ARG 520 HG3 ARG 520 3.902 7.249 7.598 76 HD2 ARG 520 HD2 ARG 520 2.449 8.979 8.392 77 HD3 ARG 520 HD3 ARG 520 1.954 8.545 6.758 78 HE ARG 520 HE ARG 520 0.222 7.110 7.949 79 HH11 ARG 520 HH11 ARG 520 1.460 10.103 9.281 80 HH12 ARG 520 HH12 ARG 520 0.025 10.433 10.191 81 HH21 ARG 520 HH21 ARG 520 -1.663 7.544 9.160 82 HH22 ARG 520 HH22 ARG 520 -1.747 8.984 10.124 83 H VAL 521 HN VAL 521 1.050 2.891 7.471 84 HA VAL 521 HA VAL 521 1.214 1.850 4.721 85 HB VAL 521 HB VAL 521 0.628 0.299 7.244 86 HG11 VAL 521 HG11 VAL 521 0.338 -0.626 4.385 87 HG12 VAL 521 HG12 VAL 521 -0.989 -0.354 5.514 88 HG13 VAL 521 HG13 VAL 521 0.182 -1.636 5.821 89 HG21 VAL 521 HG21 VAL 521 2.975 0.515 6.739 90 HG22 VAL 521 HG22 VAL 521 2.692 0.018 5.069 91 HG23 VAL 521 HG23 VAL 521 2.454 -1.136 6.386 92 H VAL 522 HN VAL 522 -0.671 1.641 3.580 93 HA VAL 522 HA VAL 522 -3.058 2.814 4.831 94 HB VAL 522 HB VAL 522 -2.548 2.230 1.907 95 HG11 VAL 522 HG11 VAL 522 -4.884 2.360 2.465 96 HG12 VAL 522 HG12 VAL 522 -4.393 3.763 1.516 97 HG13 VAL 522 HG13 VAL 522 -4.630 3.916 3.258 98 HG21 VAL 522 HG21 VAL 522 -0.936 3.867 2.731 99 HG22 VAL 522 HG22 VAL 522 -2.257 4.842 3.370 100 HG23 VAL 522 HG23 VAL 522 -2.101 4.605 1.632 101 H HIS 523 HN HIS 523 -4.885 1.584 5.146 102 HA HIS 523 HA HIS 523 -4.829 -1.135 4.020 103 HB2 HIS 523 HB2 HIS 523 -5.997 -2.007 5.901 104 HB3 HIS 523 HB3 HIS 523 -4.657 -1.054 6.527 105 HD1 HIS 523 HD1 HIS 523 -5.224 0.767 8.151 106 HD2 HIS 523 HD2 HIS 523 -8.549 -0.702 6.156 107 HE1 HIS 523 HE1 HIS 523 -7.206 1.786 9.321 108 HE2 HIS 523 HE2 HIS 523 -9.200 0.655 8.274 109 H ILE 524 HN ILE 524 -6.575 -1.900 3.004 110 HA ILE 524 HA ILE 524 -8.686 0.064 2.473 111 HB ILE 524 HB ILE 524 -7.746 -2.278 0.817 112 HG12 ILE 524 HG12 ILE 524 -7.602 0.709 0.381 113 HG13 ILE 524 HG13 ILE 524 -6.251 -0.337 0.796 114 HG21 ILE 524 HG21 ILE 524 -9.328 -1.364 -0.895 115 HG22 ILE 524 HG22 ILE 524 -10.022 -0.358 0.378 116 HG23 ILE 524 HG23 ILE 524 -10.093 -2.120 0.503 117 HD11 ILE 524 HD11 ILE 524 -6.314 0.285 -1.577 118 HD12 ILE 524 HD12 ILE 524 -7.865 -0.540 -1.729 119 HD13 ILE 524 HD13 ILE 524 -6.416 -1.453 -1.319 120 H CYS 525 HN CYS 525 -10.699 -0.342 3.070 121 HA CYS 525 HA CYS 525 -11.350 -3.048 4.015 122 HB2 CYS 525 HB2 CYS 525 -12.761 -1.932 5.773 123 HB3 CYS 525 HB3 CYS 525 -11.030 -1.711 5.977 124 HG CYS 525 HG CYS 525 -11.802 0.833 4.251 125 H ASN 526 HN ASN 526 -13.872 -3.132 4.376 126 HA ASN 526 HA ASN 526 -15.930 -3.241 3.413 127 HB2 ASN 526 HB2 ASN 526 -15.006 -0.735 1.993 128 HB3 ASN 526 HB3 ASN 526 -16.600 -1.435 1.756 129 HD21 ASN 526 HD21 ASN 526 -15.024 -1.496 4.871 130 HD22 ASN 526 HD22 ASN 526 -16.059 -0.339 5.630 131 H LEU 527 HN LEU 527 -13.523 -4.505 2.374 132 HA LEU 527 HA LEU 527 -13.733 -4.580 -0.489 133 HB2 LEU 527 HB2 LEU 527 -12.113 -6.141 1.522 134 HB3 LEU 527 HB1 LEU 527 -12.033 -6.450 -0.202 135 HG LEU 527 HG LEU 527 -11.413 -3.769 1.030 136 HD11 LEU 527 HD11 LEU 527 -9.811 -5.438 1.832 137 HD12 LEU 527 HD12 LEU 527 -9.064 -4.302 0.702 138 HD13 LEU 527 HD13 LEU 527 -9.495 -5.931 0.166 139 HD21 LEU 527 HD21 LEU 527 -10.311 -3.407 -1.152 140 HD22 LEU 527 HD22 LEU 527 -12.054 -3.633 -1.275 141 HD23 LEU 527 HD23 LEU 527 -10.963 -4.952 -1.699 142 HA PRO 528 HA PRO 528 -16.813 -7.840 -0.576 143 HB2 PRO 528 HB2 PRO 528 -16.577 -8.384 -3.241 144 HB3 PRO 528 HB3 PRO 528 -17.516 -7.031 -2.603 145 HG2 PRO 528 HG2 PRO 528 -14.764 -7.047 -3.767 146 HG3 PRO 528 HG3 PRO 528 -16.064 -5.862 -3.980 147 HD2 PRO 528 HD2 PRO 528 -13.963 -5.470 -2.306 148 HD3 PRO 528 HD3 PRO 528 -15.575 -4.788 -2.004 149 H GLU 529 HN GLU 529 -16.595 -9.977 -0.210 150 HA GLU 529 HA GLU 529 -13.994 -11.074 0.007 151 HB2 GLU 529 HB2 GLU 529 -16.682 -12.450 0.178 152 HB3 GLU 529 HB3 GLU 529 -15.151 -13.133 0.706 153 HG2 GLU 529 HG2 GLU 529 -14.936 -11.402 2.394 154 HG3 GLU 529 HG3 GLU 529 -16.440 -10.664 1.844 155 H GLY 530 HN GLY 530 -12.800 -12.020 -1.484 156 HA2 GLY 530 HA2 GLY 530 -12.256 -13.562 -3.123 157 HA3 GLY 530 HA1 GLY 530 -13.963 -13.913 -3.321 158 H SER 531 HN SER 531 -14.262 -10.830 -3.643 159 HA SER 531 HA SER 531 -14.048 -10.970 -6.532 160 HB2 SER 531 HB2 SER 531 -15.197 -8.753 -4.830 161 HB3 SER 531 HB3 SER 531 -15.462 -9.015 -6.554 162 HG SER 531 HG SER 531 -16.379 -11.109 -5.883 163 H CYS 532 HN CYS 532 -12.252 -9.718 -3.950 164 HA CYS 532 HA CYS 532 -11.073 -7.540 -5.445 165 HB2 CYS 532 HB2 CYS 532 -10.276 -8.686 -2.764 166 HB3 CYS 532 HB3 CYS 532 -9.758 -7.145 -3.441 167 HG CYS 532 HG CYS 532 -12.702 -7.977 -2.006 168 H THR 533 HN THR 533 -9.169 -7.584 -6.506 169 HA THR 533 HA THR 533 -7.671 -10.114 -6.493 170 HB THR 533 HB THR 533 -6.838 -9.556 -8.675 171 HG1 THR 533 HG1 THR 533 -8.245 -7.267 -9.167 172 HG21 THR 533 HG21 THR 533 -8.905 -9.379 -10.000 173 HG22 THR 533 HG22 THR 533 -9.788 -8.915 -8.546 174 HG23 THR 533 HG23 THR 533 -9.079 -10.524 -8.669 175 H GLU 534 HN GLU 534 -5.245 -9.776 -6.883 176 HA GLU 534 HA GLU 534 -4.127 -8.059 -4.951 177 HB2 GLU 534 HB2 GLU 534 -2.715 -9.161 -7.387 178 HB3 GLU 534 HB3 GLU 534 -1.977 -8.650 -5.872 179 HG2 GLU 534 HG2 GLU 534 -2.670 -10.537 -4.745 180 HG3 GLU 534 HG3 GLU 534 -3.973 -10.869 -5.885 181 H ASN 535 HN ASN 535 -4.502 -7.810 -8.440 182 HA ASN 535 HA ASN 535 -2.852 -5.547 -8.781 183 HB2 ASN 535 HB2 ASN 535 -3.490 -7.237 -10.533 184 HB3 ASN 535 HB3 ASN 535 -5.070 -6.470 -10.609 185 HD21 ASN 535 HD21 ASN 535 -4.854 -5.856 -12.719 186 HD22 ASN 535 HD22 ASN 535 -3.759 -4.623 -13.239 187 H ASP 536 HN ASP 536 -6.395 -5.880 -8.488 188 HA ASP 536 HA ASP 536 -6.969 -3.182 -9.110 189 HB2 ASP 536 HB2 ASP 536 -8.541 -5.257 -7.593 190 HB3 ASP 536 HB3 ASP 536 -9.136 -3.621 -7.838 191 H VAL 537 HN VAL 537 -6.480 -4.823 -6.018 192 HA VAL 537 HA VAL 537 -7.137 -2.645 -4.364 193 HB VAL 537 HB VAL 537 -5.297 -4.987 -3.824 194 HG11 VAL 537 HG11 VAL 537 -5.429 -4.513 -1.522 195 HG12 VAL 537 HG12 VAL 537 -6.664 -3.283 -1.766 196 HG13 VAL 537 HG13 VAL 537 -5.006 -2.988 -2.301 197 HG21 VAL 537 HG21 VAL 537 -7.568 -5.663 -4.376 198 HG22 VAL 537 HG22 VAL 537 -8.209 -4.546 -3.171 199 HG23 VAL 537 HG23 VAL 537 -7.245 -5.933 -2.663 200 H ILE 538 HN ILE 538 -4.047 -3.734 -5.713 201 HA ILE 538 HA ILE 538 -2.454 -1.713 -4.527 202 HB ILE 538 HB ILE 538 -1.990 -3.314 -7.050 203 HG12 ILE 538 HG12 ILE 538 -0.931 -3.713 -4.241 204 HG13 ILE 538 HG13 ILE 538 -2.236 -4.644 -4.968 205 HG21 ILE 538 HG21 ILE 538 -0.635 -1.283 -7.035 206 HG22 ILE 538 HG22 ILE 538 0.368 -2.715 -6.804 207 HG23 ILE 538 HG23 ILE 538 -0.032 -1.688 -5.428 208 HD11 ILE 538 HD11 ILE 538 0.611 -4.552 -5.936 209 HD12 ILE 538 HD12 ILE 538 -0.697 -5.496 -6.650 210 HD13 ILE 538 HD13 ILE 538 -0.137 -5.859 -5.018 211 H ASN 539 HN ASN 539 -4.159 -1.956 -7.614 212 HA ASN 539 HA ASN 539 -3.101 0.342 -8.820 213 HB2 ASN 539 HB2 ASN 539 -5.630 -1.209 -9.262 214 HB3 ASN 539 HB3 ASN 539 -5.316 0.272 -10.158 215 HD21 ASN 539 HD21 ASN 539 -5.585 -2.406 -11.166 216 HD22 ASN 539 HD22 ASN 539 -4.098 -2.796 -11.954 217 H LEU 540 HN LEU 540 -5.663 -0.014 -6.482 218 HA LEU 540 HA LEU 540 -6.926 2.475 -6.994 219 HB2 LEU 540 HB2 LEU 540 -6.920 0.781 -4.506 220 HB3 LEU 540 HB1 LEU 540 -7.956 2.171 -4.764 221 HG LEU 540 HG LEU 540 -8.017 -0.455 -6.234 222 HD11 LEU 540 HD11 LEU 540 -10.296 -0.525 -5.349 223 HD12 LEU 540 HD12 LEU 540 -10.008 0.995 -4.504 224 HD13 LEU 540 HD13 LEU 540 -9.088 -0.448 -4.068 225 HD21 LEU 540 HD21 LEU 540 -9.528 2.091 -6.818 226 HD22 LEU 540 HD22 LEU 540 -9.915 0.511 -7.498 227 HD23 LEU 540 HD23 LEU 540 -8.373 1.278 -7.876 228 H GLY 541 HN GLY 541 -4.306 1.522 -4.842 229 HA2 GLY 541 HA2 GLY 541 -4.303 4.013 -3.418 230 HA3 GLY 541 HA1 GLY 541 -3.065 2.768 -3.340 231 H LEU 542 HN LEU 542 -2.618 2.715 -6.183 232 HA LEU 542 HA LEU 542 -0.349 4.231 -6.254 233 HB2 LEU 542 HB2 LEU 542 -2.007 3.285 -8.574 234 HB3 LEU 542 HB1 LEU 542 -0.389 3.931 -8.730 235 HG LEU 542 HG LEU 542 -1.065 1.479 -7.108 236 HD11 LEU 542 HD11 LEU 542 0.164 1.624 -9.851 237 HD12 LEU 542 HD12 LEU 542 -1.513 1.198 -9.531 238 HD13 LEU 542 HD13 LEU 542 -0.216 0.173 -8.924 239 HD21 LEU 542 HD21 LEU 542 1.563 2.594 -8.072 240 HD22 LEU 542 HD22 LEU 542 1.337 1.105 -7.154 241 HD23 LEU 542 HD23 LEU 542 0.963 2.662 -6.417 242 HA PRO 543 HA PRO 543 -2.772 7.475 -9.214 243 HB2 PRO 543 HB2 PRO 543 -5.025 7.646 -7.224 244 HB3 PRO 543 HB3 PRO 543 -5.023 8.035 -8.957 245 HG2 PRO 543 HG2 PRO 543 -6.000 5.736 -8.167 246 HG3 PRO 543 HG3 PRO 543 -4.912 5.774 -9.571 247 HD2 PRO 543 HD2 PRO 543 -4.365 4.891 -6.773 248 HD3 PRO 543 HD3 PRO 543 -3.754 4.234 -8.304 249 H PHE 544 HN PHE 544 -2.931 7.608 -5.620 250 HA PHE 544 HA PHE 544 -1.840 10.332 -5.880 251 HB2 PHE 544 HB2 PHE 544 -3.461 9.110 -3.665 252 HB3 PHE 544 HB1 PHE 544 -2.610 10.643 -3.494 253 HD1 PHE 544 HD1 PHE 544 -5.260 8.888 -5.363 254 HD2 PHE 544 HD2 PHE 544 -3.480 12.633 -4.411 255 HE1 PHE 544 HE1 PHE 544 -7.180 10.052 -6.364 256 HE2 PHE 544 HE2 PHE 544 -5.397 13.805 -5.408 257 HZ PHE 544 HZ PHE 544 -7.207 12.516 -6.465 258 H GLY 545 HN GLY 545 -1.153 7.187 -4.719 259 HA2 GLY 545 HA2 GLY 545 1.530 8.101 -4.019 260 HA3 GLY 545 HA1 GLY 545 0.614 7.230 -2.791 261 H LYS 546 HN LYS 546 3.079 6.758 -4.689 262 HA LYS 546 HA LYS 546 2.451 4.380 -6.122 263 HB2 LYS 546 HB2 LYS 546 4.366 5.692 -6.787 264 HB3 LYS 546 HB3 LYS 546 5.097 5.516 -5.199 265 HG2 LYS 546 HG2 LYS 546 6.231 4.043 -6.685 266 HG3 LYS 546 HG3 LYS 546 5.229 3.051 -5.617 267 HD2 LYS 546 HD2 LYS 546 3.515 2.938 -7.388 268 HD3 LYS 546 HD3 LYS 546 4.578 3.856 -8.455 269 HE2 LYS 546 HE2 LYS 546 5.191 1.166 -7.234 270 HE3 LYS 546 HE3 LYS 546 4.702 1.450 -8.903 271 HZ1 LYS 546 HZ1 LYS 546 7.202 2.381 -7.603 272 HZ2 LYS 546 HZ2 LYS 546 6.718 2.825 -9.159 273 HZ3 LYS 546 HZ3 LYS 546 7.062 1.208 -8.813 274 H VAL 547 HN VAL 547 2.794 2.265 -5.602 275 HA VAL 547 HA VAL 547 2.972 1.619 -2.774 276 HB VAL 547 HB VAL 547 2.226 -0.048 -5.183 277 HG11 VAL 547 HG11 VAL 547 1.495 -1.742 -3.565 278 HG12 VAL 547 HG12 VAL 547 2.175 -0.769 -2.259 279 HG13 VAL 547 HG13 VAL 547 3.235 -1.455 -3.492 280 HG21 VAL 547 HG21 VAL 547 0.558 1.123 -2.962 281 HG22 VAL 547 HG22 VAL 547 -0.033 0.049 -4.229 282 HG23 VAL 547 HG23 VAL 547 0.581 1.648 -4.645 283 H THR 548 HN THR 548 4.770 0.804 -1.882 284 HA THR 548 HA THR 548 6.967 -0.077 -3.595 285 HB THR 548 HB THR 548 8.240 -0.186 -1.420 286 HG1 THR 548 HG1 THR 548 6.929 -0.179 0.264 287 HG21 THR 548 HG21 THR 548 7.010 2.445 -2.224 288 HG22 THR 548 HG22 THR 548 8.495 1.730 -2.855 289 HG23 THR 548 HG23 THR 548 8.419 2.270 -1.177 290 H ASN 549 HN ASN 549 4.854 -1.288 -1.057 291 HA ASN 549 HA ASN 549 5.360 -4.022 -1.889 292 HB2 ASN 549 HB2 ASN 549 5.795 -3.157 0.990 293 HB3 ASN 549 HB3 ASN 549 5.777 -4.823 0.424 294 HD21 ASN 549 HD21 ASN 549 7.573 -2.003 0.914 295 HD22 ASN 549 HD22 ASN 549 9.071 -2.548 0.239 296 H TYR 550 HN TYR 550 3.773 -5.515 -0.714 297 HA TYR 550 HA TYR 550 1.462 -4.125 0.364 298 HB2 TYR 550 HB2 TYR 550 -0.104 -5.028 -1.246 299 HB3 TYR 550 HB3 TYR 550 1.137 -4.129 -2.111 300 HD1 TYR 550 HD1 TYR 550 -0.657 -7.161 -1.972 301 HD2 TYR 550 HD2 TYR 550 3.146 -5.565 -3.002 302 HE1 TYR 550 HE1 TYR 550 -0.223 -9.125 -3.383 303 HE2 TYR 550 HE2 TYR 550 3.590 -7.523 -4.417 304 HH TYR 550 HH TYR 550 1.166 -9.733 -5.310 305 H ILE 551 HN ILE 551 0.092 -5.447 1.556 306 HA ILE 551 HA ILE 551 0.767 -8.299 1.652 307 HB ILE 551 HB ILE 551 0.421 -6.451 4.017 308 HG12 ILE 551 HG12 ILE 551 2.484 -8.543 3.282 309 HG13 ILE 551 HG13 ILE 551 2.701 -6.800 3.199 310 HG21 ILE 551 HG21 ILE 551 0.287 -8.439 5.456 311 HG22 ILE 551 HG22 ILE 551 0.205 -9.465 4.023 312 HG23 ILE 551 HG23 ILE 551 -1.098 -8.326 4.368 313 HD11 ILE 551 HD11 ILE 551 2.486 -6.666 5.631 314 HD12 ILE 551 HD12 ILE 551 3.801 -7.736 5.147 315 HD13 ILE 551 HD13 ILE 551 2.271 -8.415 5.703 316 H LEU 552 HN LEU 552 -0.921 -9.462 1.191 317 HA LEU 552 HA LEU 552 -3.583 -8.261 1.497 318 HB2 LEU 552 HB2 LEU 552 -2.436 -10.147 -0.535 319 HB3 LEU 552 HB1 LEU 552 -4.170 -10.003 -0.304 320 HG LEU 552 HG LEU 552 -2.400 -7.650 -0.958 321 HD11 LEU 552 HD11 LEU 552 -4.079 -9.321 -2.829 322 HD12 LEU 552 HD12 LEU 552 -2.317 -9.331 -2.760 323 HD13 LEU 552 HD13 LEU 552 -3.171 -7.868 -3.246 324 HD21 LEU 552 HD21 LEU 552 -4.492 -7.067 0.086 325 HD22 LEU 552 HD22 LEU 552 -5.379 -8.095 -1.042 326 HD23 LEU 552 HD23 LEU 552 -4.547 -6.650 -1.627 327 H MET 553 HN MET 553 -4.643 -9.066 3.173 328 HA MET 553 HA MET 553 -4.388 -11.950 3.681 329 HB2 MET 553 HB2 MET 553 -5.493 -9.780 5.485 330 HB3 MET 553 HB3 MET 553 -5.343 -11.482 5.903 331 HG2 MET 553 HG2 MET 553 -2.919 -11.325 5.727 332 HG3 MET 553 HG3 MET 553 -3.055 -9.628 5.273 333 HE1 MET 553 HE1 MET 553 -1.404 -8.859 7.154 334 HE2 MET 553 HE2 MET 553 -1.164 -10.547 7.604 335 HE3 MET 553 HE3 MET 553 -1.536 -9.348 8.843 336 H LYS 554 HN LYS 554 -5.718 -12.494 1.971 337 HA LYS 554 HA LYS 554 -8.277 -11.338 1.549 338 HB2 LYS 554 HB2 LYS 554 -7.253 -13.991 0.532 339 HB3 LYS 554 HB3 LYS 554 -8.560 -13.031 -0.146 340 HG2 LYS 554 HG2 LYS 554 -5.655 -12.230 -0.056 341 HG3 LYS 554 HG3 LYS 554 -6.518 -12.833 -1.468 342 HD2 LYS 554 HD2 LYS 554 -7.264 -10.326 0.032 343 HD3 LYS 554 HD3 LYS 554 -6.231 -10.351 -1.395 344 HE2 LYS 554 HE2 LYS 554 -9.116 -11.207 -1.225 345 HE3 LYS 554 HE3 LYS 554 -8.474 -9.785 -2.047 346 HZ1 LYS 554 HZ1 LYS 554 -8.850 -11.395 -3.701 347 HZ2 LYS 554 HZ2 LYS 554 -8.126 -12.628 -2.799 348 HZ3 LYS 554 HZ3 LYS 554 -7.175 -11.395 -3.454 349 H SER 555 HN SER 555 -7.070 -13.992 3.410 350 HA SER 555 HA SER 555 -9.501 -15.357 3.820 351 HB2 SER 555 HB2 SER 555 -8.299 -16.404 5.739 352 HB3 SER 555 HB3 SER 555 -7.393 -16.460 4.227 353 HG SER 555 HG SER 555 -6.588 -15.489 6.519 354 H THR 556 HN THR 556 -8.211 -12.444 5.215 355 HA THR 556 HA THR 556 -10.322 -12.495 7.260 356 HB THR 556 HB THR 556 -9.129 -10.578 8.286 357 HG1 THR 556 HG1 THR 556 -6.775 -10.616 7.308 358 HG21 THR 556 HG21 THR 556 -7.428 -13.029 7.831 359 HG22 THR 556 HG22 THR 556 -8.655 -12.830 9.081 360 HG23 THR 556 HG23 THR 556 -7.191 -11.846 9.117 361 H ASN 557 HN ASN 557 -9.985 -11.677 4.221 362 HA ASN 557 HA ASN 557 -10.909 -10.245 2.733 363 HB2 ASN 557 HB2 ASN 557 -12.932 -11.040 4.070 364 HB3 ASN 557 HB3 ASN 557 -12.822 -9.506 4.933 365 HD21 ASN 557 HD21 ASN 557 -14.821 -8.877 4.207 366 HD22 ASN 557 HD22 ASN 557 -15.087 -8.341 2.580 367 H GLN 558 HN GLN 558 -8.724 -9.224 4.091 368 HA GLN 558 HA GLN 558 -9.381 -6.372 4.167 369 HB2 GLN 558 HB2 GLN 558 -7.811 -7.887 6.260 370 HB3 GLN 558 HB3 GLN 558 -7.829 -6.134 6.133 371 HG2 GLN 558 HG2 GLN 558 -10.371 -7.708 6.426 372 HG3 GLN 558 HG3 GLN 558 -9.394 -7.247 7.828 373 HE21 GLN 558 HE21 GLN 558 -9.223 -5.078 8.385 374 HE22 GLN 558 HE22 GLN 558 -10.323 -3.888 7.785 375 H ALA 559 HN ALA 559 -7.630 -5.004 3.613 376 HA ALA 559 HA ALA 559 -5.361 -6.415 2.383 377 HB1 ALA 559 HB1 ALA 559 -6.984 -5.889 0.648 378 HB2 ALA 559 HB2 ALA 559 -5.522 -4.920 0.450 379 HB3 ALA 559 HB3 ALA 559 -6.976 -4.195 1.136 380 H PHE 560 HN PHE 560 -3.413 -5.409 2.472 381 HA PHE 560 HA PHE 560 -3.311 -2.748 3.713 382 HB2 PHE 560 HB2 PHE 560 -1.400 -5.043 4.227 383 HB3 PHE 560 HB1 PHE 560 -1.290 -3.431 4.925 384 HD1 PHE 560 HD1 PHE 560 -2.727 -6.704 5.215 385 HD2 PHE 560 HD2 PHE 560 -3.113 -2.658 6.473 386 HE1 PHE 560 HE1 PHE 560 -4.143 -7.428 7.092 387 HE2 PHE 560 HE2 PHE 560 -4.529 -3.374 8.354 388 HZ PHE 560 HZ PHE 560 -5.045 -5.761 8.665 389 H LEU 561 HN LEU 561 -2.184 -1.309 2.594 390 HA LEU 561 HA LEU 561 -0.476 -2.286 0.408 391 HB2 LEU 561 HB2 LEU 561 -2.829 -1.488 -0.208 392 HB3 LEU 561 HB1 LEU 561 -2.279 0.116 0.226 393 HG LEU 561 HG LEU 561 -0.590 0.044 -1.530 394 HD11 LEU 561 HD11 LEU 561 -1.713 -2.690 -2.132 395 HD12 LEU 561 HD12 LEU 561 -0.099 -2.337 -1.515 396 HD13 LEU 561 HD13 LEU 561 -0.556 -1.816 -3.134 397 HD21 LEU 561 HD21 LEU 561 -2.066 0.167 -3.424 398 HD22 LEU 561 HD22 LEU 561 -2.898 0.824 -2.015 399 HD23 LEU 561 HD23 LEU 561 -3.282 -0.797 -2.590 400 H GLU 562 HN GLU 562 1.477 -1.333 0.286 401 HA GLU 562 HA GLU 562 2.016 0.801 2.228 402 HB2 GLU 562 HB2 GLU 562 3.328 -1.190 2.580 403 HB3 GLU 562 HB3 GLU 562 3.852 -1.183 0.899 404 HG2 GLU 562 HG2 GLU 562 5.108 0.808 1.224 405 HG3 GLU 562 HG3 GLU 562 4.450 1.019 2.846 406 H MET 563 HN MET 563 2.944 2.684 1.646 407 HA MET 563 HA MET 563 3.099 3.191 -1.239 408 HB2 MET 563 HB2 MET 563 2.683 5.203 0.979 409 HB3 MET 563 HB3 MET 563 2.502 5.472 -0.754 410 HG2 MET 563 HG2 MET 563 0.766 3.844 1.068 411 HG3 MET 563 HG3 MET 563 0.328 5.252 0.104 412 HE1 MET 563 HE1 MET 563 -1.803 3.644 -0.447 413 HE2 MET 563 HE2 MET 563 -1.083 2.206 0.286 414 HE3 MET 563 HE3 MET 563 -1.668 2.149 -1.376 415 H ALA 564 HN ALA 564 4.677 4.785 -1.932 416 HA ALA 564 HA ALA 564 7.266 4.074 -0.950 417 HB1 ALA 564 HB1 ALA 564 6.800 4.364 -3.337 418 HB2 ALA 564 HB2 ALA 564 8.114 5.408 -2.796 419 HB3 ALA 564 HB3 ALA 564 6.507 6.082 -3.066 420 H TYR 565 HN TYR 565 5.144 6.719 -0.389 421 HA TYR 565 HA TYR 565 7.205 7.964 1.268 422 HB2 TYR 565 HB2 TYR 565 5.525 9.382 -0.800 423 HB3 TYR 565 HB3 TYR 565 6.297 10.231 0.536 424 HD1 TYR 565 HD1 TYR 565 6.767 8.741 -2.725 425 HD2 TYR 565 HD2 TYR 565 8.779 10.209 0.724 426 HE1 TYR 565 HE1 TYR 565 8.862 8.881 -4.009 427 HE2 TYR 565 HE2 TYR 565 10.871 10.356 -0.549 428 HH TYR 565 HH TYR 565 11.001 10.080 -3.934 429 H THR 566 HN THR 566 6.447 9.091 3.054 430 HA THR 566 HA THR 566 4.073 8.166 4.225 431 HB THR 566 HB THR 566 5.958 8.982 5.565 432 HG1 THR 566 HG1 THR 566 4.425 10.704 6.724 433 HG21 THR 566 HG21 THR 566 5.179 11.734 4.596 434 HG22 THR 566 HG22 THR 566 6.653 10.869 4.169 435 HG23 THR 566 HG23 THR 566 6.380 11.377 5.836 436 H GLU 567 HN GLU 567 4.807 11.132 2.450 437 HA GLU 567 HA GLU 567 2.268 12.336 2.754 438 HB2 GLU 567 HB2 GLU 567 2.944 13.707 0.783 439 HB3 GLU 567 HB3 GLU 567 4.131 13.696 2.079 440 HG2 GLU 567 HG2 GLU 567 5.527 12.177 0.883 441 HG3 GLU 567 HG3 GLU 567 4.290 11.929 -0.348 442 H ALA 568 HN ALA 568 3.566 10.025 0.484 443 HA ALA 568 HA ALA 568 1.504 10.130 -1.421 444 HB1 ALA 568 HB1 ALA 568 2.305 7.913 -2.110 445 HB2 ALA 568 HB2 ALA 568 3.274 7.812 -0.641 446 HB3 ALA 568 HB3 ALA 568 3.638 9.037 -1.858 447 H ALA 569 HN ALA 569 1.931 8.219 1.511 448 HA ALA 569 HA ALA 569 -0.416 6.665 1.205 449 HB1 ALA 569 HB1 ALA 569 -0.021 5.931 3.445 450 HB2 ALA 569 HB2 ALA 569 1.018 7.318 3.770 451 HB3 ALA 569 HB3 ALA 569 1.538 6.074 2.632 452 H GLN 570 HN GLN 570 0.284 9.596 3.079 453 HA GLN 570 HA GLN 570 -2.290 9.757 4.254 454 HB2 GLN 570 HB2 GLN 570 -0.116 11.815 3.892 455 HB3 GLN 570 HB3 GLN 570 -1.596 12.116 4.792 456 HG2 GLN 570 HG2 GLN 570 -1.045 10.439 6.396 457 HG3 GLN 570 HG3 GLN 570 0.333 9.903 5.435 458 HE21 GLN 570 HE21 GLN 570 2.186 11.133 5.388 459 HE22 GLN 570 HE22 GLN 570 2.497 12.387 6.538 460 H ALA 571 HN ALA 571 -0.847 11.381 1.432 461 HA ALA 571 HA ALA 571 -2.966 13.174 0.989 462 HB1 ALA 571 HB1 ALA 571 -1.035 12.065 -1.045 463 HB2 ALA 571 HB2 ALA 571 -0.740 13.455 -0.001 464 HB3 ALA 571 HB3 ALA 571 -2.015 13.522 -1.220 465 H MET 572 HN MET 572 -2.417 9.882 -0.172 466 HA MET 572 HA MET 572 -4.590 9.918 -1.998 467 HB2 MET 572 HB2 MET 572 -4.238 7.617 -2.316 468 HB3 MET 572 HB3 MET 572 -2.645 8.277 -1.999 469 HG2 MET 572 HG2 MET 572 -2.624 7.386 0.203 470 HG3 MET 572 HG3 MET 572 -4.329 6.948 0.105 471 HE1 MET 572 HE1 MET 572 -0.754 6.323 -1.247 472 HE2 MET 572 HE2 MET 572 -1.672 6.573 -2.731 473 HE3 MET 572 HE3 MET 572 -1.001 4.984 -2.368 474 H VAL 573 HN VAL 573 -4.238 8.823 1.341 475 HA VAL 573 HA VAL 573 -6.830 7.718 1.496 476 HB VAL 573 HB VAL 573 -4.978 8.571 3.721 477 HG11 VAL 573 HG11 VAL 573 -7.542 6.990 3.732 478 HG12 VAL 573 HG12 VAL 573 -7.197 8.484 4.603 479 HG13 VAL 573 HG13 VAL 573 -6.393 6.987 5.067 480 HG21 VAL 573 HG21 VAL 573 -4.505 6.159 3.845 481 HG22 VAL 573 HG22 VAL 573 -4.058 6.837 2.277 482 HG23 VAL 573 HG23 VAL 573 -5.545 5.897 2.443 483 H GLN 574 HN GLN 574 -5.533 10.918 2.288 484 HA GLN 574 HA GLN 574 -7.847 11.954 3.475 485 HB2 GLN 574 HB2 GLN 574 -5.791 13.339 1.744 486 HB3 GLN 574 HB3 GLN 574 -7.046 14.183 2.640 487 HG2 GLN 574 HG2 GLN 574 -6.124 13.225 4.729 488 HG3 GLN 574 HG3 GLN 574 -4.808 12.532 3.784 489 HE21 GLN 574 HE21 GLN 574 -6.236 15.453 5.002 490 HE22 GLN 574 HE22 GLN 574 -4.869 16.475 4.729 491 H TYR 575 HN TYR 575 -6.930 11.578 0.100 492 HA TYR 575 HA TYR 575 -9.292 12.732 -0.970 493 HB2 TYR 575 HB2 TYR 575 -7.164 12.372 -2.252 494 HB3 TYR 575 HB3 TYR 575 -7.542 10.653 -2.277 495 HD1 TYR 575 HD1 TYR 575 -8.706 13.979 -3.383 496 HD2 TYR 575 HD2 TYR 575 -9.089 9.771 -3.862 497 HE1 TYR 575 HE1 TYR 575 -10.055 14.337 -5.404 498 HE2 TYR 575 HE2 TYR 575 -10.435 10.124 -5.891 499 HH TYR 575 HH TYR 575 -10.558 12.968 -7.542 500 H TYR 576 HN TYR 576 -8.347 9.373 -0.270 501 HA TYR 576 HA TYR 576 -10.769 8.332 -1.378 502 HB2 TYR 576 HB2 TYR 576 -8.701 6.952 0.334 503 HB3 TYR 576 HB3 TYR 576 -9.987 6.155 -0.565 504 HD1 TYR 576 HD1 TYR 576 -6.793 6.061 -0.694 505 HD2 TYR 576 HD2 TYR 576 -9.851 7.775 -3.097 506 HE1 TYR 576 HE1 TYR 576 -5.312 5.947 -2.647 507 HE2 TYR 576 HE2 TYR 576 -8.380 7.667 -5.057 508 HH TYR 576 HH TYR 576 -5.578 5.850 -5.158 509 H GLN 577 HN GLN 577 -9.957 9.497 1.764 510 HA GLN 577 HA GLN 577 -12.054 8.095 3.107 511 HB2 GLN 577 HB2 GLN 577 -10.379 10.491 3.817 512 HB3 GLN 577 HB3 GLN 577 -11.738 10.005 4.826 513 HG2 GLN 577 HG2 GLN 577 -10.707 7.858 5.211 514 HG3 GLN 577 HG3 GLN 577 -9.399 8.259 4.097 515 HE21 GLN 577 HE21 GLN 577 -9.295 7.563 6.936 516 HE22 GLN 577 HE22 GLN 577 -8.509 8.879 7.720 517 H GLU 578 HN GLU 578 -11.845 11.026 1.251 518 HA GLU 578 HA GLU 578 -14.611 11.714 1.923 519 HB2 GLU 578 HB2 GLU 578 -12.530 13.222 0.336 520 HB3 GLU 578 HB3 GLU 578 -14.168 13.790 0.628 521 HG2 GLU 578 HG2 GLU 578 -13.732 13.822 3.028 522 HG3 GLU 578 HG3 GLU 578 -12.091 13.247 2.736 523 H LYS 579 HN LYS 579 -12.540 10.879 -0.799 524 HA LYS 579 HA LYS 579 -14.947 10.185 -2.364 525 HB2 LYS 579 HB2 LYS 579 -12.365 11.386 -3.387 526 HB3 LYS 579 HB3 LYS 579 -13.683 10.825 -4.402 527 HG2 LYS 579 HG2 LYS 579 -15.153 12.523 -3.396 528 HG3 LYS 579 HG3 LYS 579 -13.791 13.104 -2.434 529 HD2 LYS 579 HD2 LYS 579 -14.014 14.517 -4.360 530 HD3 LYS 579 HD3 LYS 579 -12.562 13.535 -4.559 531 HE2 LYS 579 HE2 LYS 579 -13.930 11.954 -5.937 532 HE3 LYS 579 HE3 LYS 579 -15.247 13.120 -5.861 533 HZ1 LYS 579 HZ1 LYS 579 -14.055 13.427 -7.882 534 HZ2 LYS 579 HZ2 LYS 579 -12.574 13.520 -7.073 535 HZ3 LYS 579 HZ3 LYS 579 -13.719 14.752 -6.882 536 HA PRO 580 HA PRO 580 -12.207 6.539 -1.666 537 HB2 PRO 580 HB2 PRO 580 -14.742 5.081 -1.429 538 HB3 PRO 580 HB3 PRO 580 -13.424 5.249 -0.258 539 HG2 PRO 580 HG2 PRO 580 -15.801 6.451 0.131 540 HG3 PRO 580 HG3 PRO 580 -14.274 7.222 0.621 541 HD2 PRO 580 HD2 PRO 580 -15.907 7.688 -1.861 542 HD3 PRO 580 HD3 PRO 580 -15.206 8.876 -0.736 543 H ALA 581 HN ALA 581 -11.967 4.516 -2.829 544 HA ALA 581 HA ALA 581 -12.740 4.892 -5.618 545 HB1 ALA 581 HB1 ALA 581 -10.740 2.975 -4.423 546 HB2 ALA 581 HB2 ALA 581 -10.360 4.571 -5.070 547 HB3 ALA 581 HB3 ALA 581 -10.976 3.311 -6.138 548 H ILE 582 HN ILE 582 -13.545 3.111 -6.885 549 HA ILE 582 HA ILE 582 -15.244 1.369 -5.228 550 HB ILE 582 HB ILE 582 -15.911 2.711 -7.847 551 HG12 ILE 582 HG12 ILE 582 -16.979 3.121 -5.053 552 HG13 ILE 582 HG13 ILE 582 -15.922 4.219 -5.913 553 HG21 ILE 582 HG21 ILE 582 -16.938 0.511 -7.734 554 HG22 ILE 582 HG22 ILE 582 -18.156 1.774 -7.561 555 HG23 ILE 582 HG23 ILE 582 -17.599 0.887 -6.142 556 HD11 ILE 582 HD11 ILE 582 -18.732 3.502 -6.694 557 HD12 ILE 582 HD12 ILE 582 -17.671 4.609 -7.565 558 HD13 ILE 582 HD13 ILE 582 -18.210 5.004 -5.933 559 H ILE 583 HN ILE 583 -15.042 -0.737 -5.524 560 HA ILE 583 HA ILE 583 -14.211 -1.685 -8.193 561 HB ILE 583 HB ILE 583 -13.581 -2.928 -5.512 562 HG12 ILE 583 HG12 ILE 583 -11.820 -1.870 -7.733 563 HG13 ILE 583 HG13 ILE 583 -12.059 -1.136 -6.150 564 HG21 ILE 583 HG21 ILE 583 -13.075 -4.051 -8.266 565 HG22 ILE 583 HG22 ILE 583 -14.231 -4.671 -7.089 566 HG23 ILE 583 HG23 ILE 583 -12.502 -4.744 -6.749 567 HD11 ILE 583 HD11 ILE 583 -9.928 -2.328 -6.315 568 HD12 ILE 583 HD12 ILE 583 -10.801 -3.824 -6.650 569 HD13 ILE 583 HD13 ILE 583 -10.982 -3.029 -5.087 570 H ASN 584 HN ASN 584 -15.775 -2.693 -9.220 571 HA ASN 584 HA ASN 584 -17.588 -3.949 -9.721 572 HB2 ASN 584 HB2 ASN 584 -16.946 -5.313 -7.096 573 HB3 ASN 584 HB3 ASN 584 -18.065 -5.927 -8.306 574 HD21 ASN 584 HD21 ASN 584 -15.750 -7.237 -7.311 575 HD22 ASN 584 HD22 ASN 584 -14.680 -7.479 -8.644 576 H GLY 585 HN GLY 585 -18.093 -1.487 -8.544 577 HA2 GLY 585 HA2 GLY 585 -20.045 -0.378 -7.974 578 HA3 GLY 585 HA1 GLY 585 -20.806 -1.933 -7.678 579 H GLU 586 HN GLU 586 -17.973 -1.955 -5.997 580 HA GLU 586 HA GLU 586 -19.386 -1.259 -3.520 581 HB2 GLU 586 HB2 GLU 586 -16.817 -2.807 -3.933 582 HB3 GLU 586 HB3 GLU 586 -17.628 -2.561 -2.395 583 HG2 GLU 586 HG2 GLU 586 -18.856 -3.994 -4.728 584 HG3 GLU 586 HG3 GLU 586 -17.979 -4.797 -3.427 585 H LYS 587 HN LYS 587 -18.869 0.540 -2.469 586 HA LYS 587 HA LYS 587 -16.613 2.126 -3.331 587 HB2 LYS 587 HB2 LYS 587 -18.750 2.584 -1.246 588 HB3 LYS 587 HB3 LYS 587 -17.455 3.728 -1.574 589 HG2 LYS 587 HG2 LYS 587 -18.231 3.987 -3.859 590 HG3 LYS 587 HG3 LYS 587 -19.500 2.794 -3.579 591 HD2 LYS 587 HD2 LYS 587 -19.239 5.347 -1.998 592 HD3 LYS 587 HD3 LYS 587 -20.222 5.205 -3.456 593 HE2 LYS 587 HE2 LYS 587 -20.557 3.513 -0.981 594 HE3 LYS 587 HE3 LYS 587 -21.520 4.940 -1.362 595 HZ1 LYS 587 HZ1 LYS 587 -21.364 2.479 -3.015 596 HZ2 LYS 587 HZ2 LYS 587 -22.300 3.841 -3.361 597 HZ3 LYS 587 HZ3 LYS 587 -22.648 2.901 -2.001 598 H LEU 588 HN LEU 588 -14.683 1.539 -2.647 599 HA LEU 588 HA LEU 588 -14.367 0.165 -0.113 600 HB2 LEU 588 HB2 LEU 588 -12.230 1.011 -2.057 601 HB3 LEU 588 HB1 LEU 588 -12.074 -0.145 -0.752 602 HG LEU 588 HG LEU 588 -13.595 -0.495 -3.324 603 HD11 LEU 588 HD11 LEU 588 -12.008 -2.419 -3.502 604 HD12 LEU 588 HD12 LEU 588 -11.174 -1.773 -2.084 605 HD13 LEU 588 HD13 LEU 588 -11.258 -0.825 -3.566 606 HD21 LEU 588 HD21 LEU 588 -13.515 -2.277 -0.888 607 HD22 LEU 588 HD22 LEU 588 -14.124 -2.762 -2.471 608 HD23 LEU 588 HD23 LEU 588 -14.933 -1.479 -1.571 609 H LEU 589 HN LEU 589 -13.996 1.220 1.694 610 HA LEU 589 HA LEU 589 -13.078 3.951 1.592 611 HB2 LEU 589 HB2 LEU 589 -14.813 3.119 3.217 612 HB3 LEU 589 HB1 LEU 589 -13.546 2.209 4.013 613 HG LEU 589 HG LEU 589 -12.425 4.233 4.684 614 HD11 LEU 589 HD11 LEU 589 -12.800 5.613 2.741 615 HD12 LEU 589 HD12 LEU 589 -13.396 6.449 4.174 616 HD13 LEU 589 HD13 LEU 589 -14.530 5.668 3.074 617 HD21 LEU 589 HD21 LEU 589 -14.122 5.206 6.136 618 HD22 LEU 589 HD22 LEU 589 -14.262 3.448 6.092 619 HD23 LEU 589 HD23 LEU 589 -15.391 4.447 5.175 620 H ILE 590 HN ILE 590 -11.027 4.235 1.158 621 HA ILE 590 HA ILE 590 -9.016 2.324 2.078 622 HB ILE 590 HB ILE 590 -8.703 4.763 0.308 623 HG12 ILE 590 HG12 ILE 590 -8.981 1.855 -0.466 624 HG13 ILE 590 HG13 ILE 590 -10.155 3.126 -0.755 625 HG21 ILE 590 HG21 ILE 590 -6.622 4.160 1.366 626 HG22 ILE 590 HG22 ILE 590 -6.561 3.730 -0.344 627 HG23 ILE 590 HG23 ILE 590 -6.823 2.480 0.872 628 HD11 ILE 590 HD11 ILE 590 -8.932 2.624 -2.782 629 HD12 ILE 590 HD12 ILE 590 -7.404 2.953 -1.968 630 HD13 ILE 590 HD13 ILE 590 -8.557 4.259 -2.240 631 H ARG 591 HN ARG 591 -7.948 2.693 3.937 632 HA ARG 591 HA ARG 591 -7.883 5.457 4.964 633 HB2 ARG 591 HB2 ARG 591 -9.018 3.046 6.328 634 HB3 ARG 591 HB3 ARG 591 -8.400 4.401 7.261 635 HG2 ARG 591 HG2 ARG 591 -9.942 5.892 6.022 636 HG3 ARG 591 HG3 ARG 591 -10.620 4.466 5.240 637 HD2 ARG 591 HD2 ARG 591 -10.530 4.856 8.223 638 HD3 ARG 591 HD3 ARG 591 -11.904 5.313 7.222 639 HE ARG 591 HE ARG 591 -11.160 2.586 6.833 640 HH11 ARG 591 HH11 ARG 591 -12.848 4.754 8.984 641 HH12 ARG 591 HH12 ARG 591 -13.940 3.542 9.571 642 HH21 ARG 591 HH21 ARG 591 -12.604 0.967 7.594 643 HH22 ARG 591 HH22 ARG 591 -13.810 1.389 8.770 644 H MET 592 HN MET 592 -6.519 5.780 6.850 645 HA MET 592 HA MET 592 -3.891 4.744 6.346 646 HB2 MET 592 HB2 MET 592 -4.920 6.610 8.497 647 HB3 MET 592 HB3 MET 592 -3.226 6.267 8.193 648 HG2 MET 592 HG2 MET 592 -4.750 7.253 5.871 649 HG3 MET 592 HG3 MET 592 -4.566 8.381 7.210 650 HE1 MET 592 HE1 MET 592 -1.808 5.611 6.364 651 HE2 MET 592 HE2 MET 592 -0.943 6.451 5.073 652 HE3 MET 592 HE3 MET 592 -2.618 5.952 4.837 653 H SER 593 HN SER 593 -2.898 3.094 7.362 654 HA SER 593 HA SER 593 -4.224 1.803 9.602 655 HB2 SER 593 HB2 SER 593 -1.622 1.062 8.246 656 HB3 SER 593 HB3 SER 593 -2.574 0.047 9.330 657 HG SER 593 HG SER 593 -2.774 0.194 6.735 658 H THR 594 HN THR 594 -3.730 2.178 11.665 659 HA THR 594 HA THR 594 -1.274 3.645 12.276 660 HB THR 594 HB THR 594 -3.440 4.505 13.170 661 HG1 THR 594 HG1 THR 594 -1.672 5.125 14.335 662 HG21 THR 594 HG21 THR 594 -4.490 3.336 15.053 663 HG22 THR 594 HG22 THR 594 -3.374 1.989 14.831 664 HG23 THR 594 HG23 THR 594 -4.549 2.375 13.576 665 H ARG 595 HN ARG 595 -2.398 0.547 12.084 666 HA ARG 595 HA ARG 595 -0.910 -0.515 14.347 667 HB2 ARG 595 HB2 ARG 595 -2.629 -1.827 12.242 668 HB3 ARG 595 HB3 ARG 595 -1.801 -2.708 13.519 669 HG2 ARG 595 HG2 ARG 595 -3.119 -1.705 15.200 670 HG3 ARG 595 HG3 ARG 595 -3.760 -0.502 14.077 671 HD2 ARG 595 HD2 ARG 595 -5.342 -2.358 14.620 672 HD3 ARG 595 HD3 ARG 595 -5.009 -2.161 12.901 673 HE ARG 595 HE ARG 595 -3.379 -4.113 14.302 674 HH11 ARG 595 HH11 ARG 595 -6.204 -3.524 12.325 675 HH12 ARG 595 HH12 ARG 595 -6.303 -5.155 11.754 676 HH21 ARG 595 HH21 ARG 595 -3.488 -6.253 13.539 677 HH22 ARG 595 HH22 ARG 595 -4.748 -6.710 12.434 678 H TYR 596 HN TYR 596 -0.275 0.291 11.148 679 HA TYR 596 HA TYR 596 2.052 -1.507 11.101 680 HB2 TYR 596 HB2 TYR 596 0.214 -0.870 8.785 681 HB3 TYR 596 HB3 TYR 596 1.765 -1.677 8.617 682 HD1 TYR 596 HD1 TYR 596 1.930 -4.007 8.871 683 HD2 TYR 596 HD2 TYR 596 -1.611 -2.015 10.130 684 HE1 TYR 596 HE1 TYR 596 0.815 -6.180 9.151 685 HE2 TYR 596 HE2 TYR 596 -2.733 -4.182 10.424 686 HH TYR 596 HH TYR 596 -2.534 -6.483 9.553 687 H LYS 597 HN LYS 597 3.911 -0.464 10.759 688 HA LYS 597 HA LYS 597 3.890 2.258 9.716 689 HB2 LYS 597 HB2 LYS 597 6.046 0.526 10.914 690 HB3 LYS 597 HB3 LYS 597 6.407 2.056 10.127 691 HG2 LYS 597 HG2 LYS 597 4.972 3.221 11.722 692 HG3 LYS 597 HG3 LYS 597 4.612 1.686 12.515 693 HD2 LYS 597 HD2 LYS 597 6.922 1.412 13.141 694 HD3 LYS 597 HD3 LYS 597 7.379 2.847 12.219 695 HE2 LYS 597 HE2 LYS 597 6.085 4.253 13.703 696 HE3 LYS 597 HE3 LYS 597 5.506 2.838 14.581 697 HZ1 LYS 597 HZ1 LYS 597 7.324 3.946 15.737 698 HZ2 LYS 597 HZ2 LYS 597 8.340 3.704 14.408 699 HZ3 LYS 597 HZ3 LYS 597 7.759 2.379 15.279 700 H GLU 598 HN GLU 598 5.075 -0.956 8.907 701 HA GLU 598 HA GLU 598 5.108 -0.268 6.110 702 HB2 GLU 598 HB2 GLU 598 7.510 -1.053 5.866 703 HB3 GLU 598 HB3 GLU 598 7.277 0.545 6.555 704 HG2 GLU 598 HG2 GLU 598 7.572 -0.447 8.808 705 HG3 GLU 598 HG3 GLU 598 7.951 -1.985 8.033 706 H LEU 599 HN LEU 599 5.251 -2.051 4.751 707 HA LEU 599 HA LEU 599 4.283 -4.474 6.041 708 HB2 LEU 599 HB2 LEU 599 4.433 -3.690 3.131 709 HB3 LEU 599 HB1 LEU 599 3.711 -5.168 3.738 710 HG LEU 599 HG LEU 599 2.736 -2.384 4.394 711 HD11 LEU 599 HD11 LEU 599 1.631 -4.459 2.517 712 HD12 LEU 599 HD12 LEU 599 2.351 -2.914 2.057 713 HD13 LEU 599 HD13 LEU 599 0.837 -2.950 2.966 714 HD21 LEU 599 HD21 LEU 599 2.242 -3.989 6.153 715 HD22 LEU 599 HD22 LEU 599 1.561 -5.094 4.958 716 HD23 LEU 599 HD23 LEU 599 0.778 -3.550 5.271 717 H GLN 600 HN GLN 600 5.693 -5.957 6.611 718 HA GLN 600 HA GLN 600 8.220 -6.160 5.147 719 HB2 GLN 600 HB2 GLN 600 7.408 -7.256 7.842 720 HB3 GLN 600 HB3 GLN 600 8.988 -7.476 7.103 721 HG2 GLN 600 HG2 GLN 600 7.765 -4.834 7.868 722 HG3 GLN 600 HG3 GLN 600 8.999 -5.703 8.778 723 HE21 GLN 600 HE21 GLN 600 8.324 -3.820 5.940 724 HE22 GLN 600 HE22 GLN 600 9.966 -3.523 5.504 725 H LEU 601 HN LEU 601 7.660 -7.353 3.391 726 HA LEU 601 HA LEU 601 6.232 -9.835 3.583 727 HB2 LEU 601 HB2 LEU 601 7.856 -8.621 1.349 728 HB3 LEU 601 HB1 LEU 601 6.906 -10.085 1.199 729 HG LEU 601 HG LEU 601 5.750 -7.388 1.886 730 HD11 LEU 601 HD11 LEU 601 6.716 -7.389 -0.359 731 HD12 LEU 601 HD12 LEU 601 4.952 -7.344 -0.417 732 HD13 LEU 601 HD13 LEU 601 5.808 -8.849 -0.750 733 HD21 LEU 601 HD21 LEU 601 4.470 -9.992 1.068 734 HD22 LEU 601 HD22 LEU 601 3.626 -8.472 1.376 735 HD23 LEU 601 HD23 LEU 601 4.461 -9.300 2.690 736 H LYS 602 HN LYS 602 7.610 -10.787 5.251 737 HA LYS 602 HA LYS 602 9.239 -12.183 5.992 738 HB2 LYS 602 HB2 LYS 602 8.383 -13.438 3.946 739 HB3 LYS 602 HB3 LYS 602 9.771 -12.798 3.080 740 HG2 LYS 602 HG2 LYS 602 11.284 -13.970 4.521 741 HG3 LYS 602 HG3 LYS 602 9.957 -14.486 5.563 742 HD2 LYS 602 HD2 LYS 602 8.998 -15.749 3.679 743 HD3 LYS 602 HD3 LYS 602 10.369 -15.270 2.676 744 HE2 LYS 602 HE2 LYS 602 11.896 -16.441 4.133 745 HE3 LYS 602 HE3 LYS 602 10.586 -16.824 5.249 746 HZ1 LYS 602 HZ1 LYS 602 9.571 -18.202 3.595 747 HZ2 LYS 602 HZ2 LYS 602 11.184 -18.681 3.777 748 HZ3 LYS 602 HZ3 LYS 602 10.721 -17.759 2.440 749 H LYS 603 HN LYS 603 9.897 -9.595 5.888 750 HA LYS 603 HA LYS 603 12.666 -9.518 4.886 751 HB2 LYS 603 HB2 LYS 603 10.771 -7.182 5.239 752 HB3 LYS 603 HB3 LYS 603 12.417 -7.095 4.634 753 HG2 LYS 603 HG2 LYS 603 11.733 -8.464 2.691 754 HG3 LYS 603 HG3 LYS 603 10.071 -8.424 3.287 755 HD2 LYS 603 HD2 LYS 603 10.078 -5.980 3.132 756 HD3 LYS 603 HD3 LYS 603 11.738 -6.020 2.532 757 HE2 LYS 603 HE2 LYS 603 9.339 -7.260 1.187 758 HE3 LYS 603 HE3 LYS 603 10.124 -5.757 0.709 759 HZ1 LYS 603 HZ1 LYS 603 11.481 -8.396 0.759 760 HZ2 LYS 603 HZ2 LYS 603 12.096 -6.949 0.137 761 HZ3 LYS 603 HZ3 LYS 603 10.792 -7.712 -0.621 762 HA PRO 604 HA PRO 604 13.345 -9.012 9.296 763 HB2 PRO 604 HB2 PRO 604 15.996 -9.420 9.279 764 HB3 PRO 604 HB3 PRO 604 14.854 -10.748 9.035 765 HG2 PRO 604 HG2 PRO 604 16.471 -9.244 7.023 766 HG3 PRO 604 HG3 PRO 604 16.107 -10.976 7.100 767 HD2 PRO 604 HD2 PRO 604 14.790 -9.160 5.484 768 HD3 PRO 604 HD3 PRO 604 14.123 -10.718 6.005 769 H GLY 605 HN GLY 605 14.081 -6.985 6.801 770 HA2 GLY 605 HA2 GLY 605 14.268 -4.620 7.145 771 HA3 GLY 605 HA1 GLY 605 15.168 -4.949 8.620 772 H LYS 606 HN LYS 606 15.857 -3.296 6.276 773 HA LYS 606 HA LYS 606 18.032 -4.706 4.986 774 HB2 LYS 606 HB2 LYS 606 17.287 -1.776 4.852 775 HB3 LYS 606 HB3 LYS 606 18.391 -2.619 3.775 776 HG2 LYS 606 HG2 LYS 606 15.443 -3.183 4.035 777 HG3 LYS 606 HG3 LYS 606 16.191 -2.226 2.759 778 HD2 LYS 606 HD2 LYS 606 17.081 -5.043 3.256 779 HD3 LYS 606 HD3 LYS 606 15.617 -4.727 2.328 780 HE2 LYS 606 HE2 LYS 606 17.461 -4.988 0.809 781 HE3 LYS 606 HE3 LYS 606 16.947 -3.305 0.797 782 HZ1 LYS 606 HZ1 LYS 606 19.251 -4.333 2.358 783 HZ2 LYS 606 HZ2 LYS 606 18.806 -2.713 2.149 784 HZ3 LYS 606 HZ3 LYS 606 19.379 -3.608 0.837 785 H ASN 607 HN ASN 607 19.318 -5.227 6.799 786 HA ASN 607 HA ASN 607 20.348 -2.931 8.332 787 HB2 ASN 607 HB2 ASN 607 18.921 -4.603 9.547 788 HB3 ASN 607 HB3 ASN 607 20.175 -5.801 9.251 789 HD21 ASN 607 HD21 ASN 607 22.015 -5.775 10.457 790 HD22 ASN 607 HD22 ASN 607 22.243 -4.735 11.817 791 H VAL 608 HN VAL 608 21.247 -5.469 6.225 792 HA VAL 608 HA VAL 608 23.874 -5.961 7.159 793 HB VAL 608 HB VAL 608 22.747 -6.254 4.366 794 HG11 VAL 608 HG11 VAL 608 25.306 -7.351 5.532 795 HG12 VAL 608 HG12 VAL 608 25.181 -6.105 4.291 796 HG13 VAL 608 HG13 VAL 608 24.646 -7.749 3.946 797 HG21 VAL 608 HG21 VAL 608 21.636 -7.620 6.085 798 HG22 VAL 608 HG22 VAL 608 23.196 -8.307 6.532 799 HG23 VAL 608 HG23 VAL 608 22.528 -8.606 4.928 800 H ALA 609 HN ALA 609 22.553 -3.640 4.853 801 HA ALA 609 HA ALA 609 25.105 -2.178 5.003 802 HB1 ALA 609 HB1 ALA 609 23.024 -2.105 2.821 803 HB2 ALA 609 HB2 ALA 609 24.605 -2.876 2.723 804 HB3 ALA 609 HB3 ALA 609 24.487 -1.123 2.872 805 H ALA 610 HN ALA 610 24.667 -0.998 6.814 806 HA ALA 610 HA ALA 610 22.219 -0.017 7.641 807 HB1 ALA 610 HB1 ALA 610 24.206 -0.165 9.077 808 HB2 ALA 610 HB2 ALA 610 23.440 1.423 9.155 809 HB3 ALA 610 HB3 ALA 610 24.915 1.202 8.213 810 H ILE 611 HN ILE 611 20.909 1.339 6.662 811 HA ILE 611 HA ILE 611 21.856 3.365 4.859 812 HB ILE 611 HB ILE 611 19.060 2.966 5.957 813 HG12 ILE 611 HG12 ILE 611 18.975 2.183 3.336 814 HG13 ILE 611 HG13 ILE 611 20.567 1.610 3.823 815 HG21 ILE 611 HG21 ILE 611 20.050 4.547 3.586 816 HG22 ILE 611 HG22 ILE 611 19.424 5.210 5.096 817 HG23 ILE 611 HG23 ILE 611 18.358 4.304 4.020 818 HD11 ILE 611 HD11 ILE 611 18.846 -0.100 4.081 819 HD12 ILE 611 HD12 ILE 611 17.985 0.945 5.212 820 HD13 ILE 611 HD13 ILE 611 19.583 0.327 5.623 821 H ILE 612 HN ILE 612 23.002 4.905 5.881 822 HA ILE 612 HA ILE 612 22.166 5.893 8.473 823 HB ILE 612 HB ILE 612 24.464 6.826 6.744 824 HG12 ILE 612 HG12 ILE 612 24.459 4.757 8.953 825 HG13 ILE 612 HG13 ILE 612 24.562 4.392 7.236 826 HG21 ILE 612 HG21 ILE 612 25.401 7.628 8.873 827 HG22 ILE 612 HG22 ILE 612 23.946 7.091 9.710 828 HG23 ILE 612 HG23 ILE 612 23.851 8.391 8.520 829 HD11 ILE 612 HD11 ILE 612 26.738 4.271 8.273 830 HD12 ILE 612 HD12 ILE 612 26.579 5.930 8.851 831 HD13 ILE 612 HD13 ILE 612 26.684 5.606 7.122 832 H GLN 613 HN GLN 613 20.116 6.485 7.260 833 HA GLN 613 HA GLN 613 18.668 7.936 6.322 834 HB2 GLN 613 HB2 GLN 613 20.644 9.733 7.658 835 HB3 GLN 613 HB3 GLN 613 19.138 10.338 6.979 836 HG2 GLN 613 HG2 GLN 613 17.922 8.790 8.483 837 HG3 GLN 613 HG3 GLN 613 19.465 8.323 9.193 838 HE21 GLN 613 HE21 GLN 613 18.687 11.574 8.164 839 HE22 GLN 613 HE22 GLN 613 18.646 12.273 9.743 840 H ASP 614 HN ASP 614 20.612 6.967 4.532 841 HA ASP 614 HA ASP 614 21.713 9.061 2.944 842 HB2 ASP 614 HB2 ASP 614 21.131 6.216 2.093 843 HB3 ASP 614 HB3 ASP 614 22.271 7.329 1.346 844 H ILE 615 HN ILE 615 19.129 6.722 2.222 845 HA ILE 615 HA ILE 615 17.727 8.830 0.750 846 HB ILE 615 HB ILE 615 17.000 6.723 -0.747 847 HG12 ILE 615 HG12 ILE 615 19.201 5.555 -1.361 848 HG13 ILE 615 HG13 ILE 615 19.810 6.129 0.184 849 HG21 ILE 615 HG21 ILE 615 17.790 8.875 -1.560 850 HG22 ILE 615 HG22 ILE 615 18.539 7.547 -2.447 851 HG23 ILE 615 HG23 ILE 615 19.452 8.405 -1.208 852 HD11 ILE 615 HD11 ILE 615 19.055 3.840 0.349 853 HD12 ILE 615 HD12 ILE 615 17.455 4.304 -0.231 854 HD13 ILE 615 HD13 ILE 615 18.033 4.893 1.327 855 H HIS 616 HN HIS 616 15.691 9.045 1.260 856 HA HIS 616 HA HIS 616 13.581 8.683 1.971 857 HB2 HIS 616 HB2 HIS 616 14.358 5.784 1.677 858 HB3 HIS 616 HB3 HIS 616 12.752 6.297 2.186 859 HD1 HIS 616 HD1 HIS 616 14.444 5.271 -0.741 860 HD2 HIS 616 HD2 HIS 616 11.713 8.288 0.109 861 HE1 HIS 616 HE1 HIS 616 13.427 5.902 -2.945 862 HE2 HIS 616 HE2 HIS 616 11.953 7.880 -2.432 863 H SER 617 HN SER 617 15.673 6.332 3.649 864 HA SER 617 HA SER 617 14.137 6.238 5.985 865 HB2 SER 617 HB2 SER 617 17.072 5.637 5.607 866 HB3 SER 617 HB3 SER 617 16.099 5.145 6.993 867 HG SER 617 HG SER 617 15.087 3.687 5.798 868 H GLN 618 HN GLN 618 13.829 7.624 7.529 869 HA GLN 618 HA GLN 618 15.812 9.721 8.052 870 HB2 GLN 618 HB2 GLN 618 12.995 9.357 9.104 871 HB3 GLN 618 HB3 GLN 618 14.041 10.725 9.460 872 HG2 GLN 618 HG2 GLN 618 14.064 11.329 7.094 873 HG3 GLN 618 HG3 GLN 618 13.024 9.954 6.731 874 HE21 GLN 618 HE21 GLN 618 12.582 12.790 6.277 875 HE22 GLN 618 HE22 GLN 618 11.125 13.194 7.117 876 H ARG 619 HN ARG 619 15.831 6.783 8.698 877 HA ARG 619 HA ARG 619 16.691 7.025 11.486 878 HB2 ARG 619 HB2 ARG 619 14.921 4.876 10.309 879 HB3 ARG 619 HB3 ARG 619 15.813 4.653 11.804 880 HG2 ARG 619 HG2 ARG 619 13.819 6.861 11.370 881 HG3 ARG 619 HG3 ARG 619 13.416 5.293 12.071 882 HD2 ARG 619 HD2 ARG 619 15.424 7.262 13.166 883 HD3 ARG 619 HD3 ARG 619 13.815 6.957 13.816 884 HE ARG 619 HE ARG 619 15.051 4.510 13.792 885 HH11 ARG 619 HH11 ARG 619 15.722 7.626 15.255 886 HH12 ARG 619 HH12 ARG 619 16.568 6.947 16.608 887 HH21 ARG 619 HH21 ARG 619 16.165 3.621 15.559 888 HH22 ARG 619 HH22 ARG 619 16.824 4.664 16.779 889 H GLU 620 HN GLU 620 18.230 5.292 12.070 890 HA GLU 620 HA GLU 620 19.835 4.480 9.734 891 HB2 GLU 620 HB2 GLU 620 21.749 4.480 11.167 892 HB3 GLU 620 HB3 GLU 620 20.884 5.981 11.477 893 HG2 GLU 620 HG2 GLU 620 19.950 5.086 13.500 894 HG3 GLU 620 HG3 GLU 620 20.633 3.500 13.162 895 H ARG 621 HN ARG 621 21.225 2.465 10.332 896 HA ARG 621 HA ARG 621 19.530 0.485 11.692 897 HB2 ARG 621 HB2 ARG 621 21.542 0.054 9.476 898 HB3 ARG 621 HB3 ARG 621 20.694 -1.230 10.320 899 HG2 ARG 621 HG2 ARG 621 19.444 0.902 8.604 900 HG3 ARG 621 HG3 ARG 621 19.669 -0.794 8.175 901 HD2 ARG 621 HD2 ARG 621 17.925 0.292 10.386 902 HD3 ARG 621 HD3 ARG 621 17.377 -0.404 8.863 903 HE ARG 621 HE ARG 621 18.995 -2.133 10.558 904 HH11 ARG 621 HH11 ARG 621 15.789 -1.162 9.548 905 HH12 ARG 621 HH12 ARG 621 15.028 -2.614 10.115 906 HH21 ARG 621 HH21 ARG 621 17.988 -4.052 11.314 907 HH22 ARG 621 HH22 ARG 621 16.276 -4.255 11.106 Start of MODEL 11 1 H1 GLY 510 HT1 GLY 510 18.714 0.216 -2.707 2 H2 GLY 510 HT2 GLY 510 17.436 1.302 -2.499 3 H3 GLY 510 HT3 GLY 510 18.960 1.867 -2.972 4 HA2 GLY 510 HA1 GLY 510 18.775 0.642 -5.058 5 HA3 GLY 510 HA2 GLY 510 17.169 0.124 -4.565 6 H ALA 511 HN ALA 511 16.736 1.207 -6.713 7 HA ALA 511 HA ALA 511 16.774 4.104 -6.658 8 HB1 ALA 511 HB1 ALA 511 17.350 2.922 -8.719 9 HB2 ALA 511 HB2 ALA 511 15.944 3.962 -8.942 10 HB3 ALA 511 HB3 ALA 511 15.734 2.219 -8.767 11 H MET 512 HN MET 512 14.265 1.604 -7.108 12 HA MET 512 HA MET 512 12.272 3.633 -6.377 13 HB2 MET 512 HB2 MET 512 10.620 2.214 -7.485 14 HB3 MET 512 HB3 MET 512 11.937 2.610 -8.573 15 HG2 MET 512 HG2 MET 512 12.890 0.420 -8.292 16 HG3 MET 512 HG3 MET 512 11.682 0.016 -7.075 17 HE1 MET 512 HE1 MET 512 10.682 0.718 -11.527 18 HE2 MET 512 HE2 MET 512 12.297 0.895 -10.844 19 HE3 MET 512 HE3 MET 512 11.024 2.034 -10.406 20 H ALA 513 HN ALA 513 10.180 1.961 -5.706 21 HA ALA 513 HA ALA 513 9.214 0.864 -3.990 22 HB1 ALA 513 HB1 ALA 513 10.836 -0.939 -4.547 23 HB2 ALA 513 HB2 ALA 513 10.311 -0.915 -2.864 24 HB3 ALA 513 HB3 ALA 513 11.903 -0.282 -3.304 25 H GLN 514 HN GLN 514 11.122 0.323 -1.538 26 HA GLN 514 HA GLN 514 9.910 2.380 -0.021 27 HB2 GLN 514 HB2 GLN 514 12.094 0.445 0.722 28 HB3 GLN 514 HB3 GLN 514 11.203 1.450 1.857 29 HG2 GLN 514 HG2 GLN 514 9.151 0.293 1.297 30 HG3 GLN 514 HG3 GLN 514 10.009 -0.680 0.102 31 HE21 GLN 514 HE21 GLN 514 11.406 -2.297 0.796 32 HE22 GLN 514 HE22 GLN 514 11.391 -2.891 2.417 33 H ARG 515 HN ARG 515 10.768 4.239 -1.188 34 HA ARG 515 HA ARG 515 13.506 4.985 -0.828 35 HB2 ARG 515 HB2 ARG 515 11.104 6.738 -1.401 36 HB3 ARG 515 HB3 ARG 515 12.792 7.172 -1.640 37 HG2 ARG 515 HG2 ARG 515 12.920 5.238 -3.262 38 HG3 ARG 515 HG3 ARG 515 11.161 5.163 -3.155 39 HD2 ARG 515 HD2 ARG 515 11.783 6.476 -5.078 40 HD3 ARG 515 HD3 ARG 515 11.054 7.529 -3.866 41 HE ARG 515 HE ARG 515 13.926 7.397 -3.726 42 HH11 ARG 515 HH11 ARG 515 11.180 9.012 -5.181 43 HH12 ARG 515 HH12 ARG 515 12.078 10.441 -5.588 44 HH21 ARG 515 HH21 ARG 515 15.108 9.291 -4.251 45 HH22 ARG 515 HH22 ARG 515 14.311 10.594 -5.071 46 H LYS 516 HN LYS 516 10.455 6.134 0.559 47 HA LYS 516 HA LYS 516 11.891 6.857 3.008 48 HB2 LYS 516 HB2 LYS 516 9.167 7.683 1.987 49 HB3 LYS 516 HB3 LYS 516 9.781 8.098 3.582 50 HG2 LYS 516 HG2 LYS 516 11.662 9.285 2.503 51 HG3 LYS 516 HG3 LYS 516 10.958 8.920 0.932 52 HD2 LYS 516 HD2 LYS 516 9.011 10.236 1.445 53 HD3 LYS 516 HD3 LYS 516 9.569 10.482 3.103 54 HE2 LYS 516 HE2 LYS 516 11.531 11.684 2.257 55 HE3 LYS 516 HE3 LYS 516 10.961 11.451 0.607 56 HZ1 LYS 516 HZ1 LYS 516 9.506 12.955 2.712 57 HZ2 LYS 516 HZ2 LYS 516 9.033 12.781 1.097 58 HZ3 LYS 516 HZ3 LYS 516 10.429 13.653 1.480 59 H GLY 517 HN GLY 517 9.599 4.697 1.635 60 HA2 GLY 517 HA2 GLY 517 8.653 2.781 2.554 61 HA3 GLY 517 HA1 GLY 517 9.387 3.212 4.093 62 H ALA 518 HN ALA 518 8.143 5.922 3.324 63 HA ALA 518 HA ALA 518 6.316 7.193 3.728 64 HB1 ALA 518 HB1 ALA 518 4.084 6.257 3.736 65 HB2 ALA 518 HB2 ALA 518 4.747 4.625 3.836 66 HB3 ALA 518 HB3 ALA 518 5.024 5.603 2.395 67 H GLY 519 HN GLY 519 7.124 4.570 5.790 68 HA2 GLY 519 HA2 GLY 519 6.966 4.261 8.056 69 HA3 GLY 519 HA1 GLY 519 6.686 5.993 8.191 70 H ARG 520 HN ARG 520 4.584 4.332 6.097 71 HA ARG 520 HA ARG 520 2.477 4.066 8.074 72 HB2 ARG 520 HB2 ARG 520 2.376 6.059 5.799 73 HB3 ARG 520 HB3 ARG 520 0.953 5.511 6.677 74 HG2 ARG 520 HG2 ARG 520 1.993 6.376 8.766 75 HG3 ARG 520 HG3 ARG 520 3.287 7.053 7.775 76 HD2 ARG 520 HD2 ARG 520 1.603 8.335 6.513 77 HD3 ARG 520 HD3 ARG 520 0.353 7.704 7.582 78 HE ARG 520 HE ARG 520 2.594 9.345 8.566 79 HH11 ARG 520 HH11 ARG 520 -0.815 8.563 8.461 80 HH12 ARG 520 HH12 ARG 520 -1.262 9.805 9.583 81 HH21 ARG 520 HH21 ARG 520 2.015 10.979 10.025 82 HH22 ARG 520 HH22 ARG 520 0.354 11.182 10.479 83 H VAL 521 HN VAL 521 0.915 2.685 7.489 84 HA VAL 521 HA VAL 521 0.998 1.550 4.777 85 HB VAL 521 HB VAL 521 0.403 0.158 7.393 86 HG11 VAL 521 HG11 VAL 521 -1.218 -0.559 5.686 87 HG12 VAL 521 HG12 VAL 521 -0.083 -1.847 6.089 88 HG13 VAL 521 HG13 VAL 521 0.113 -0.937 4.591 89 HG21 VAL 521 HG21 VAL 521 2.749 0.323 6.904 90 HG22 VAL 521 HG22 VAL 521 2.485 -0.246 5.255 91 HG23 VAL 521 HG23 VAL 521 2.224 -1.338 6.617 92 H VAL 522 HN VAL 522 -0.906 1.378 3.689 93 HA VAL 522 HA VAL 522 -3.206 2.658 4.980 94 HB VAL 522 HB VAL 522 -2.701 2.059 2.059 95 HG11 VAL 522 HG11 VAL 522 -5.056 1.968 2.549 96 HG12 VAL 522 HG12 VAL 522 -4.669 3.427 1.638 97 HG13 VAL 522 HG13 VAL 522 -4.964 3.525 3.374 98 HG21 VAL 522 HG21 VAL 522 -2.719 4.670 3.553 99 HG22 VAL 522 HG22 VAL 522 -2.464 4.464 1.821 100 HG23 VAL 522 HG23 VAL 522 -1.280 3.837 2.969 101 H HIS 523 HN HIS 523 -4.980 1.589 5.460 102 HA HIS 523 HA HIS 523 -5.136 -1.247 4.718 103 HB2 HIS 523 HB2 HIS 523 -5.169 -1.329 7.008 104 HB3 HIS 523 HB3 HIS 523 -5.852 0.284 7.168 105 HD1 HIS 523 HD1 HIS 523 -8.233 0.380 7.818 106 HD2 HIS 523 HD2 HIS 523 -7.196 -3.338 6.282 107 HE1 HIS 523 HE1 HIS 523 -10.270 -1.058 8.102 108 HE2 HIS 523 HE2 HIS 523 -9.504 -3.361 7.455 109 H ILE 524 HN ILE 524 -6.605 -1.819 3.330 110 HA ILE 524 HA ILE 524 -8.798 0.033 2.710 111 HB ILE 524 HB ILE 524 -7.636 -2.238 1.083 112 HG12 ILE 524 HG12 ILE 524 -7.514 0.756 0.675 113 HG13 ILE 524 HG13 ILE 524 -6.192 -0.236 1.275 114 HG21 ILE 524 HG21 ILE 524 -9.070 -1.360 -0.739 115 HG22 ILE 524 HG22 ILE 524 -9.851 -0.299 0.436 116 HG23 ILE 524 HG23 ILE 524 -9.980 -2.051 0.604 117 HD11 ILE 524 HD11 ILE 524 -7.461 -0.520 -1.436 118 HD12 ILE 524 HD12 ILE 524 -6.050 -1.386 -0.829 119 HD13 ILE 524 HD13 ILE 524 -5.968 0.354 -1.096 120 H CYS 525 HN CYS 525 -10.870 -0.570 2.999 121 HA CYS 525 HA CYS 525 -11.333 -3.284 4.018 122 HB2 CYS 525 HB2 CYS 525 -13.024 -2.119 5.586 123 HB3 CYS 525 HB3 CYS 525 -11.315 -2.048 5.989 124 HG CYS 525 HG CYS 525 -11.687 0.567 4.224 125 H ASN 526 HN ASN 526 -13.786 -3.658 4.245 126 HA ASN 526 HA ASN 526 -15.770 -4.046 3.226 127 HB2 ASN 526 HB2 ASN 526 -15.178 -1.417 1.865 128 HB3 ASN 526 HB3 ASN 526 -16.664 -2.322 1.605 129 HD21 ASN 526 HD21 ASN 526 -17.980 -0.760 2.438 130 HD22 ASN 526 HD22 ASN 526 -18.019 -0.352 4.120 131 H LEU 527 HN LEU 527 -13.190 -4.956 2.168 132 HA LEU 527 HA LEU 527 -13.471 -5.032 -0.698 133 HB2 LEU 527 HB2 LEU 527 -11.588 -6.378 1.237 134 HB3 LEU 527 HB1 LEU 527 -11.514 -6.619 -0.498 135 HG LEU 527 HG LEU 527 -11.234 -3.914 0.806 136 HD11 LEU 527 HD11 LEU 527 -9.425 -5.393 1.536 137 HD12 LEU 527 HD12 LEU 527 -8.843 -4.134 0.444 138 HD13 LEU 527 HD13 LEU 527 -9.068 -5.782 -0.148 139 HD21 LEU 527 HD21 LEU 527 -10.235 -3.344 -1.379 140 HD22 LEU 527 HD22 LEU 527 -11.930 -3.817 -1.496 141 HD23 LEU 527 HD23 LEU 527 -10.664 -4.950 -1.965 142 HA PRO 528 HA PRO 528 -16.119 -8.660 -0.498 143 HB2 PRO 528 HB2 PRO 528 -16.205 -9.059 -3.207 144 HB3 PRO 528 HB3 PRO 528 -17.240 -7.913 -2.350 145 HG2 PRO 528 HG2 PRO 528 -14.730 -7.413 -3.896 146 HG3 PRO 528 HG3 PRO 528 -16.220 -6.455 -3.837 147 HD2 PRO 528 HD2 PRO 528 -13.986 -5.780 -2.465 148 HD3 PRO 528 HD3 PRO 528 -15.621 -5.421 -1.869 149 H GLU 529 HN GLU 529 -15.491 -10.696 -0.197 150 HA GLU 529 HA GLU 529 -12.787 -11.432 -0.609 151 HB2 GLU 529 HB2 GLU 529 -13.481 -13.640 0.290 152 HB3 GLU 529 HB3 GLU 529 -13.941 -12.284 1.307 153 HG2 GLU 529 HG2 GLU 529 -16.223 -12.414 0.478 154 HG3 GLU 529 HG3 GLU 529 -15.769 -13.745 -0.587 155 H GLY 530 HN GLY 530 -11.831 -12.307 -2.300 156 HA2 GLY 530 HA2 GLY 530 -11.530 -13.834 -4.039 157 HA3 GLY 530 HA1 GLY 530 -13.238 -14.233 -3.957 158 H SER 531 HN SER 531 -13.637 -11.151 -4.034 159 HA SER 531 HA SER 531 -13.823 -11.064 -6.938 160 HB2 SER 531 HB2 SER 531 -14.855 -9.089 -4.893 161 HB3 SER 531 HB3 SER 531 -15.289 -9.156 -6.599 162 HG SER 531 HG SER 531 -15.845 -11.508 -5.842 163 H CYS 532 HN CYS 532 -11.999 -9.685 -4.344 164 HA CYS 532 HA CYS 532 -10.928 -7.541 -5.971 165 HB2 CYS 532 HB2 CYS 532 -10.064 -8.450 -3.220 166 HB3 CYS 532 HB3 CYS 532 -9.679 -6.917 -3.997 167 HG CYS 532 HG CYS 532 -12.637 -7.926 -2.655 168 H THR 533 HN THR 533 -8.954 -7.529 -6.943 169 HA THR 533 HA THR 533 -7.348 -9.984 -6.702 170 HB THR 533 HB THR 533 -6.413 -9.506 -8.882 171 HG1 THR 533 HG1 THR 533 -8.145 -7.289 -9.230 172 HG21 THR 533 HG21 THR 533 -8.537 -10.718 -8.872 173 HG22 THR 533 HG22 THR 533 -8.412 -9.687 -10.298 174 HG23 THR 533 HG23 THR 533 -9.417 -9.191 -8.937 175 H GLU 534 HN GLU 534 -4.939 -9.556 -7.051 176 HA GLU 534 HA GLU 534 -3.970 -7.682 -5.196 177 HB2 GLU 534 HB2 GLU 534 -2.443 -8.846 -7.535 178 HB3 GLU 534 HB3 GLU 534 -1.770 -8.193 -6.047 179 HG2 GLU 534 HG2 GLU 534 -2.645 -10.010 -4.771 180 HG3 GLU 534 HG3 GLU 534 -3.539 -10.619 -6.161 181 H ASN 535 HN ASN 535 -4.359 -7.605 -8.686 182 HA ASN 535 HA ASN 535 -2.939 -5.249 -9.214 183 HB2 ASN 535 HB2 ASN 535 -3.603 -6.928 -10.918 184 HB3 ASN 535 HB3 ASN 535 -5.272 -6.390 -10.765 185 HD21 ASN 535 HD21 ASN 535 -5.887 -4.440 -11.679 186 HD22 ASN 535 HD22 ASN 535 -4.868 -3.569 -12.768 187 H ASP 536 HN ASP 536 -6.403 -5.751 -8.517 188 HA ASP 536 HA ASP 536 -7.179 -3.095 -9.101 189 HB2 ASP 536 HB2 ASP 536 -8.459 -5.199 -7.360 190 HB3 ASP 536 HB3 ASP 536 -9.163 -3.604 -7.588 191 H VAL 537 HN VAL 537 -6.321 -4.666 -6.053 192 HA VAL 537 HA VAL 537 -6.914 -2.475 -4.390 193 HB VAL 537 HB VAL 537 -5.050 -4.808 -3.941 194 HG11 VAL 537 HG11 VAL 537 -5.143 -4.321 -1.596 195 HG12 VAL 537 HG12 VAL 537 -6.229 -2.964 -1.882 196 HG13 VAL 537 HG13 VAL 537 -4.560 -2.889 -2.449 197 HG21 VAL 537 HG21 VAL 537 -7.914 -4.332 -3.131 198 HG22 VAL 537 HG22 VAL 537 -6.933 -5.716 -2.646 199 HG23 VAL 537 HG23 VAL 537 -7.344 -5.479 -4.346 200 H ILE 538 HN ILE 538 -3.862 -3.546 -5.850 201 HA ILE 538 HA ILE 538 -2.253 -1.540 -4.664 202 HB ILE 538 HB ILE 538 -1.807 -3.126 -7.196 203 HG12 ILE 538 HG12 ILE 538 -0.704 -3.553 -4.412 204 HG13 ILE 538 HG13 ILE 538 -2.075 -4.434 -5.078 205 HG21 ILE 538 HG21 ILE 538 -0.431 -1.109 -7.171 206 HG22 ILE 538 HG22 ILE 538 0.560 -2.549 -6.937 207 HG23 ILE 538 HG23 ILE 538 0.157 -1.523 -5.560 208 HD11 ILE 538 HD11 ILE 538 0.740 -4.470 -6.142 209 HD12 ILE 538 HD12 ILE 538 -0.633 -5.344 -6.825 210 HD13 ILE 538 HD13 ILE 538 -0.047 -5.745 -5.210 211 H ASN 539 HN ASN 539 -3.862 -1.764 -7.820 212 HA ASN 539 HA ASN 539 -2.826 0.668 -8.811 213 HB2 ASN 539 HB2 ASN 539 -5.039 -1.131 -9.701 214 HB3 ASN 539 HB3 ASN 539 -4.870 0.465 -10.427 215 HD21 ASN 539 HD21 ASN 539 -3.389 -2.656 -9.996 216 HD22 ASN 539 HD22 ASN 539 -2.223 -2.500 -11.266 217 H LEU 540 HN LEU 540 -5.577 -0.003 -6.780 218 HA LEU 540 HA LEU 540 -6.881 2.478 -7.203 219 HB2 LEU 540 HB2 LEU 540 -6.938 0.591 -4.864 220 HB3 LEU 540 HB1 LEU 540 -7.910 2.045 -4.947 221 HG LEU 540 HG LEU 540 -8.098 -0.378 -6.726 222 HD11 LEU 540 HD11 LEU 540 -9.975 0.906 -4.753 223 HD12 LEU 540 HD12 LEU 540 -9.157 -0.650 -4.589 224 HD13 LEU 540 HD13 LEU 540 -10.394 -0.430 -5.826 225 HD21 LEU 540 HD21 LEU 540 -9.975 0.814 -7.823 226 HD22 LEU 540 HD22 LEU 540 -8.407 1.556 -8.133 227 HD23 LEU 540 HD23 LEU 540 -9.508 2.279 -6.962 228 H GLY 541 HN GLY 541 -4.262 1.500 -5.069 229 HA2 GLY 541 HA2 GLY 541 -4.351 3.949 -3.547 230 HA3 GLY 541 HA1 GLY 541 -3.113 2.708 -3.452 231 H LEU 542 HN LEU 542 -2.485 2.686 -6.220 232 HA LEU 542 HA LEU 542 -0.293 4.302 -6.270 233 HB2 LEU 542 HB2 LEU 542 -1.875 3.291 -8.609 234 HB3 LEU 542 HB1 LEU 542 -0.297 4.025 -8.756 235 HG LEU 542 HG LEU 542 -0.869 1.511 -7.185 236 HD11 LEU 542 HD11 LEU 542 0.153 0.311 -8.997 237 HD12 LEU 542 HD12 LEU 542 0.462 1.811 -9.869 238 HD13 LEU 542 HD13 LEU 542 -1.193 1.255 -9.633 239 HD21 LEU 542 HD21 LEU 542 1.727 2.796 -8.012 240 HD22 LEU 542 HD22 LEU 542 1.544 1.287 -7.121 241 HD23 LEU 542 HD23 LEU 542 1.051 2.810 -6.385 242 HA PRO 543 HA PRO 543 -2.799 7.438 -9.295 243 HB2 PRO 543 HB2 PRO 543 -5.045 7.574 -7.283 244 HB3 PRO 543 HB3 PRO 543 -5.070 7.954 -9.022 245 HG2 PRO 543 HG2 PRO 543 -5.973 5.638 -8.222 246 HG3 PRO 543 HG3 PRO 543 -4.870 5.686 -9.615 247 HD2 PRO 543 HD2 PRO 543 -4.323 4.884 -6.789 248 HD3 PRO 543 HD3 PRO 543 -3.696 4.194 -8.298 249 H PHE 544 HN PHE 544 -2.989 7.646 -5.707 250 HA PHE 544 HA PHE 544 -1.951 10.378 -6.029 251 HB2 PHE 544 HB2 PHE 544 -3.609 9.199 -3.819 252 HB3 PHE 544 HB1 PHE 544 -2.788 10.753 -3.674 253 HD1 PHE 544 HD1 PHE 544 -5.425 8.899 -5.420 254 HD2 PHE 544 HD2 PHE 544 -3.576 12.685 -4.841 255 HE1 PHE 544 HE1 PHE 544 -7.330 9.993 -6.525 256 HE2 PHE 544 HE2 PHE 544 -5.476 13.787 -5.943 257 HZ PHE 544 HZ PHE 544 -7.297 12.443 -6.888 258 H GLY 545 HN GLY 545 -1.188 7.282 -4.823 259 HA2 GLY 545 HA2 GLY 545 1.424 8.306 -4.019 260 HA3 GLY 545 HA1 GLY 545 0.496 7.420 -2.815 261 H LYS 546 HN LYS 546 3.080 6.936 -4.411 262 HA LYS 546 HA LYS 546 2.544 4.608 -5.982 263 HB2 LYS 546 HB2 LYS 546 4.440 6.009 -6.532 264 HB3 LYS 546 HB3 LYS 546 5.131 5.761 -4.935 265 HG2 LYS 546 HG2 LYS 546 6.298 4.411 -6.557 266 HG3 LYS 546 HG3 LYS 546 5.406 3.370 -5.441 267 HD2 LYS 546 HD2 LYS 546 3.630 3.109 -7.102 268 HD3 LYS 546 HD3 LYS 546 4.511 4.157 -8.217 269 HE2 LYS 546 HE2 LYS 546 6.334 2.585 -8.321 270 HE3 LYS 546 HE3 LYS 546 5.578 1.574 -7.092 271 HZ1 LYS 546 HZ1 LYS 546 5.276 0.740 -9.367 272 HZ2 LYS 546 HZ2 LYS 546 4.402 2.132 -9.758 273 HZ3 LYS 546 HZ3 LYS 546 3.806 1.057 -8.597 274 H VAL 547 HN VAL 547 2.749 2.517 -5.476 275 HA VAL 547 HA VAL 547 2.861 1.779 -2.676 276 HB VAL 547 HB VAL 547 2.102 0.215 -5.150 277 HG11 VAL 547 HG11 VAL 547 1.261 -1.490 -3.596 278 HG12 VAL 547 HG12 VAL 547 1.942 -0.581 -2.246 279 HG13 VAL 547 HG13 VAL 547 3.007 -1.275 -3.468 280 HG21 VAL 547 HG21 VAL 547 0.401 1.351 -2.936 281 HG22 VAL 547 HG22 VAL 547 -0.175 0.396 -4.302 282 HG23 VAL 547 HG23 VAL 547 0.528 1.990 -4.573 283 H THR 548 HN THR 548 4.438 0.570 -1.801 284 HA THR 548 HA THR 548 6.745 -0.105 -3.491 285 HB THR 548 HB THR 548 7.945 -0.243 -1.293 286 HG1 THR 548 HG1 THR 548 6.793 -0.120 0.494 287 HG21 THR 548 HG21 THR 548 7.992 2.158 -0.908 288 HG22 THR 548 HG22 THR 548 6.494 2.347 -1.821 289 HG23 THR 548 HG23 THR 548 7.965 1.812 -2.636 290 H ASN 549 HN ASN 549 4.571 -1.394 -1.069 291 HA ASN 549 HA ASN 549 5.087 -4.108 -1.940 292 HB2 ASN 549 HB2 ASN 549 5.505 -3.218 0.927 293 HB3 ASN 549 HB3 ASN 549 5.303 -4.898 0.451 294 HD21 ASN 549 HD21 ASN 549 7.466 -2.313 0.834 295 HD22 ASN 549 HD22 ASN 549 8.866 -3.094 0.174 296 H TYR 550 HN TYR 550 3.419 -5.608 -0.831 297 HA TYR 550 HA TYR 550 1.138 -4.170 0.263 298 HB2 TYR 550 HB2 TYR 550 -0.451 -5.159 -1.317 299 HB3 TYR 550 HB3 TYR 550 0.731 -4.168 -2.163 300 HD1 TYR 550 HD1 TYR 550 -0.687 -7.466 -1.804 301 HD2 TYR 550 HD2 TYR 550 2.597 -5.293 -3.416 302 HE1 TYR 550 HE1 TYR 550 -0.147 -9.370 -3.258 303 HE2 TYR 550 HE2 TYR 550 3.142 -7.192 -4.876 304 HH TYR 550 HH TYR 550 1.016 -9.850 -5.310 305 H ILE 551 HN ILE 551 -0.250 -5.432 1.491 306 HA ILE 551 HA ILE 551 0.342 -8.304 1.676 307 HB ILE 551 HB ILE 551 -0.056 -6.404 3.999 308 HG12 ILE 551 HG12 ILE 551 2.102 -8.398 3.274 309 HG13 ILE 551 HG13 ILE 551 2.250 -6.645 3.306 310 HG21 ILE 551 HG21 ILE 551 -0.181 -9.420 4.044 311 HG22 ILE 551 HG22 ILE 551 -1.525 -8.317 4.338 312 HG23 ILE 551 HG23 ILE 551 -0.166 -8.370 5.462 313 HD11 ILE 551 HD11 ILE 551 1.820 -8.435 5.687 314 HD12 ILE 551 HD12 ILE 551 1.931 -6.677 5.736 315 HD13 ILE 551 HD13 ILE 551 3.324 -7.633 5.234 316 H LEU 552 HN LEU 552 -1.394 -9.473 1.329 317 HA LEU 552 HA LEU 552 -4.005 -8.133 1.414 318 HB2 LEU 552 HB2 LEU 552 -2.900 -10.305 -0.348 319 HB3 LEU 552 HB1 LEU 552 -4.618 -9.966 -0.252 320 HG LEU 552 HG LEU 552 -2.589 -7.870 -1.018 321 HD11 LEU 552 HD11 LEU 552 -2.547 -9.762 -2.621 322 HD12 LEU 552 HD12 LEU 552 -3.197 -8.285 -3.333 323 HD13 LEU 552 HD13 LEU 552 -4.287 -9.582 -2.840 324 HD21 LEU 552 HD21 LEU 552 -4.599 -6.801 -1.981 325 HD22 LEU 552 HD22 LEU 552 -4.673 -6.984 -0.230 326 HD23 LEU 552 HD23 LEU 552 -5.584 -8.084 -1.269 327 H MET 553 HN MET 553 -5.169 -8.727 3.117 328 HA MET 553 HA MET 553 -4.976 -11.520 4.018 329 HB2 MET 553 HB2 MET 553 -6.115 -9.133 5.482 330 HB3 MET 553 HB3 MET 553 -5.957 -10.760 6.124 331 HG2 MET 553 HG2 MET 553 -3.528 -10.581 5.972 332 HG3 MET 553 HG3 MET 553 -3.693 -8.943 5.338 333 HE1 MET 553 HE1 MET 553 -1.835 -9.382 7.723 334 HE2 MET 553 HE2 MET 553 -2.345 -8.142 8.868 335 HE3 MET 553 HE3 MET 553 -2.248 -7.767 7.147 336 H LYS 554 HN LYS 554 -6.343 -12.290 2.369 337 HA LYS 554 HA LYS 554 -8.921 -11.202 1.890 338 HB2 LYS 554 HB2 LYS 554 -7.856 -13.966 1.273 339 HB3 LYS 554 HB3 LYS 554 -9.363 -13.307 0.662 340 HG2 LYS 554 HG2 LYS 554 -7.987 -12.951 -1.125 341 HG3 LYS 554 HG3 LYS 554 -7.807 -11.415 -0.277 342 HD2 LYS 554 HD2 LYS 554 -5.707 -12.059 0.624 343 HD3 LYS 554 HD3 LYS 554 -5.928 -13.735 0.120 344 HE2 LYS 554 HE2 LYS 554 -5.657 -11.379 -1.748 345 HE3 LYS 554 HE3 LYS 554 -4.359 -12.498 -1.333 346 HZ1 LYS 554 HZ1 LYS 554 -5.366 -13.089 -3.437 347 HZ2 LYS 554 HZ2 LYS 554 -6.889 -13.209 -2.715 348 HZ3 LYS 554 HZ3 LYS 554 -5.671 -14.301 -2.294 349 H SER 555 HN SER 555 -7.603 -13.497 4.107 350 HA SER 555 HA SER 555 -9.976 -14.802 4.868 351 HB2 SER 555 HB2 SER 555 -8.639 -15.523 6.842 352 HB3 SER 555 HB3 SER 555 -7.816 -15.793 5.307 353 HG SER 555 HG SER 555 -6.884 -14.498 7.361 354 H THR 556 HN THR 556 -8.524 -11.770 5.894 355 HA THR 556 HA THR 556 -10.529 -11.578 8.032 356 HB THR 556 HB THR 556 -9.165 -9.718 8.925 357 HG1 THR 556 HG1 THR 556 -6.970 -9.592 7.965 358 HG21 THR 556 HG21 THR 556 -7.252 -11.077 9.678 359 HG22 THR 556 HG22 THR 556 -7.645 -12.284 8.454 360 HG23 THR 556 HG23 THR 556 -8.774 -11.962 9.770 361 H ASN 557 HN ASN 557 -10.443 -11.007 4.969 362 HA ASN 557 HA ASN 557 -11.541 -9.665 3.505 363 HB2 ASN 557 HB2 ASN 557 -13.299 -10.174 5.371 364 HB3 ASN 557 HB3 ASN 557 -13.060 -8.491 5.812 365 HD21 ASN 557 HD21 ASN 557 -13.954 -6.945 4.615 366 HD22 ASN 557 HD22 ASN 557 -14.974 -7.222 3.250 367 H GLN 558 HN GLN 558 -9.091 -8.670 4.321 368 HA GLN 558 HA GLN 558 -9.510 -5.784 4.179 369 HB2 GLN 558 HB2 GLN 558 -7.979 -7.158 6.389 370 HB3 GLN 558 HB3 GLN 558 -7.813 -5.450 6.022 371 HG2 GLN 558 HG2 GLN 558 -10.108 -5.048 6.579 372 HG3 GLN 558 HG3 GLN 558 -10.404 -6.777 6.786 373 HE21 GLN 558 HE21 GLN 558 -9.552 -7.819 8.571 374 HE22 GLN 558 HE22 GLN 558 -9.043 -6.964 9.985 375 H ALA 559 HN ALA 559 -7.691 -4.629 3.406 376 HA ALA 559 HA ALA 559 -5.395 -6.273 2.577 377 HB1 ALA 559 HB1 ALA 559 -6.699 -4.129 0.904 378 HB2 ALA 559 HB2 ALA 559 -6.806 -5.865 0.619 379 HB3 ALA 559 HB3 ALA 559 -5.251 -5.043 0.479 380 H PHE 560 HN PHE 560 -3.405 -5.266 2.619 381 HA PHE 560 HA PHE 560 -3.344 -2.575 3.802 382 HB2 PHE 560 HB2 PHE 560 -1.566 -4.933 4.479 383 HB3 PHE 560 HB1 PHE 560 -1.339 -3.295 5.081 384 HD1 PHE 560 HD1 PHE 560 -3.653 -6.181 5.116 385 HD2 PHE 560 HD2 PHE 560 -2.514 -2.519 6.963 386 HE1 PHE 560 HE1 PHE 560 -5.142 -6.673 7.012 387 HE2 PHE 560 HE2 PHE 560 -3.998 -3.012 8.862 388 HZ PHE 560 HZ PHE 560 -5.334 -5.074 8.877 389 H LEU 561 HN LEU 561 -2.057 -1.158 2.795 390 HA LEU 561 HA LEU 561 -0.394 -2.175 0.582 391 HB2 LEU 561 HB2 LEU 561 -2.704 -1.175 0.062 392 HB3 LEU 561 HB1 LEU 561 -1.996 0.363 0.503 393 HG LEU 561 HG LEU 561 -0.326 0.081 -1.306 394 HD11 LEU 561 HD11 LEU 561 -0.689 -1.660 -2.985 395 HD12 LEU 561 HD12 LEU 561 -1.973 -2.351 -1.992 396 HD13 LEU 561 HD13 LEU 561 -0.308 -2.354 -1.410 397 HD21 LEU 561 HD21 LEU 561 -2.337 1.367 -1.708 398 HD22 LEU 561 HD22 LEU 561 -3.226 -0.102 -2.115 399 HD23 LEU 561 HD23 LEU 561 -1.914 0.451 -3.156 400 H GLU 562 HN GLU 562 1.581 -1.190 0.302 401 HA GLU 562 HA GLU 562 2.389 0.699 2.419 402 HB2 GLU 562 HB2 GLU 562 3.477 -1.612 2.193 403 HB3 GLU 562 HB3 GLU 562 4.214 -0.986 0.727 404 HG2 GLU 562 HG2 GLU 562 5.302 0.773 2.035 405 HG3 GLU 562 HG3 GLU 562 4.584 0.112 3.506 406 H MET 563 HN MET 563 3.455 2.592 1.883 407 HA MET 563 HA MET 563 3.470 3.219 -0.991 408 HB2 MET 563 HB2 MET 563 2.781 4.939 1.382 409 HB3 MET 563 HB3 MET 563 3.160 5.625 -0.196 410 HG2 MET 563 HG2 MET 563 0.812 5.476 -0.060 411 HG3 MET 563 HG3 MET 563 1.339 4.197 -1.149 412 HE1 MET 563 HE1 MET 563 -1.441 3.793 -0.450 413 HE2 MET 563 HE2 MET 563 -1.557 2.216 0.325 414 HE3 MET 563 HE3 MET 563 -0.519 2.430 -1.084 415 H ALA 564 HN ALA 564 5.025 4.669 -1.786 416 HA ALA 564 HA ALA 564 7.639 4.119 -0.764 417 HB1 ALA 564 HB1 ALA 564 7.158 4.210 -3.167 418 HB2 ALA 564 HB2 ALA 564 8.439 5.333 -2.711 419 HB3 ALA 564 HB3 ALA 564 6.811 5.934 -3.024 420 H TYR 565 HN TYR 565 5.456 6.799 -0.610 421 HA TYR 565 HA TYR 565 7.460 8.334 0.900 422 HB2 TYR 565 HB2 TYR 565 5.355 9.588 -0.870 423 HB3 TYR 565 HB3 TYR 565 6.729 10.378 -0.104 424 HD1 TYR 565 HD1 TYR 565 5.569 8.487 -2.958 425 HD2 TYR 565 HD2 TYR 565 9.030 9.983 -0.992 426 HE1 TYR 565 HE1 TYR 565 6.875 8.126 -5.003 427 HE2 TYR 565 HE2 TYR 565 10.350 9.628 -3.038 428 HH TYR 565 HH TYR 565 8.898 8.939 -6.060 429 H THR 566 HN THR 566 6.679 9.409 2.688 430 HA THR 566 HA THR 566 4.464 8.295 3.992 431 HB THR 566 HB THR 566 6.198 9.151 5.342 432 HG1 THR 566 HG1 THR 566 4.686 9.721 6.674 433 HG21 THR 566 HG21 THR 566 5.784 11.820 4.003 434 HG22 THR 566 HG22 THR 566 7.171 10.747 3.806 435 HG23 THR 566 HG23 THR 566 6.867 11.521 5.362 436 H GLU 567 HN GLU 567 4.846 11.247 2.151 437 HA GLU 567 HA GLU 567 2.273 12.324 2.619 438 HB2 GLU 567 HB2 GLU 567 2.722 13.762 0.707 439 HB3 GLU 567 HB3 GLU 567 4.147 13.659 1.733 440 HG2 GLU 567 HG2 GLU 567 5.090 11.978 0.192 441 HG3 GLU 567 HG3 GLU 567 3.690 12.193 -0.853 442 H ALA 568 HN ALA 568 3.508 9.950 0.403 443 HA ALA 568 HA ALA 568 1.459 10.015 -1.511 444 HB1 ALA 568 HB1 ALA 568 2.260 7.771 -2.133 445 HB2 ALA 568 HB2 ALA 568 3.231 7.725 -0.664 446 HB3 ALA 568 HB3 ALA 568 3.586 8.912 -1.918 447 H ALA 569 HN ALA 569 1.880 8.105 1.433 448 HA ALA 569 HA ALA 569 -0.492 6.583 1.141 449 HB1 ALA 569 HB1 ALA 569 1.020 7.221 3.670 450 HB2 ALA 569 HB2 ALA 569 1.423 5.919 2.553 451 HB3 ALA 569 HB3 ALA 569 -0.110 5.889 3.422 452 H GLN 570 HN GLN 570 0.264 9.521 2.982 453 HA GLN 570 HA GLN 570 -2.284 9.704 4.211 454 HB2 GLN 570 HB2 GLN 570 -0.108 11.751 3.789 455 HB3 GLN 570 HB3 GLN 570 -1.559 12.053 4.737 456 HG2 GLN 570 HG2 GLN 570 -0.963 10.395 6.326 457 HG3 GLN 570 HG3 GLN 570 0.353 9.809 5.310 458 HE21 GLN 570 HE21 GLN 570 2.248 10.964 5.190 459 HE22 GLN 570 HE22 GLN 570 2.651 12.202 6.323 460 H ALA 571 HN ALA 571 -0.872 11.295 1.366 461 HA ALA 571 HA ALA 571 -3.002 13.079 0.912 462 HB1 ALA 571 HB1 ALA 571 -2.026 13.449 -1.266 463 HB2 ALA 571 HB2 ALA 571 -1.064 11.978 -1.116 464 HB3 ALA 571 HB3 ALA 571 -0.753 13.348 -0.051 465 H MET 572 HN MET 572 -2.351 9.831 -0.362 466 HA MET 572 HA MET 572 -4.528 9.817 -2.166 467 HB2 MET 572 HB2 MET 572 -4.135 7.514 -2.461 468 HB3 MET 572 HB3 MET 572 -2.556 8.203 -2.133 469 HG2 MET 572 HG2 MET 572 -2.543 7.352 0.076 470 HG3 MET 572 HG3 MET 572 -4.244 6.899 -0.020 471 HE1 MET 572 HE1 MET 572 -1.474 6.379 -2.797 472 HE2 MET 572 HE2 MET 572 -0.832 4.817 -2.290 473 HE3 MET 572 HE3 MET 572 -0.647 6.228 -1.249 474 H VAL 573 HN VAL 573 -4.173 8.774 1.175 475 HA VAL 573 HA VAL 573 -6.722 7.591 1.368 476 HB VAL 573 HB VAL 573 -4.756 8.489 3.459 477 HG11 VAL 573 HG11 VAL 573 -7.438 7.174 3.790 478 HG12 VAL 573 HG12 VAL 573 -6.888 8.689 4.507 479 HG13 VAL 573 HG13 VAL 573 -6.187 7.158 5.030 480 HG21 VAL 573 HG21 VAL 573 -4.116 6.568 2.118 481 HG22 VAL 573 HG22 VAL 573 -5.671 5.798 2.449 482 HG23 VAL 573 HG23 VAL 573 -4.516 6.055 3.759 483 H GLN 574 HN GLN 574 -5.547 10.855 2.094 484 HA GLN 574 HA GLN 574 -7.906 11.792 3.299 485 HB2 GLN 574 HB2 GLN 574 -5.889 13.281 1.612 486 HB3 GLN 574 HB3 GLN 574 -7.178 14.057 2.520 487 HG2 GLN 574 HG2 GLN 574 -4.825 12.533 3.595 488 HG3 GLN 574 HG3 GLN 574 -5.198 14.244 3.801 489 HE21 GLN 574 HE21 GLN 574 -5.846 11.026 4.853 490 HE22 GLN 574 HE22 GLN 574 -6.820 11.437 6.223 491 H TYR 575 HN TYR 575 -6.941 11.478 -0.064 492 HA TYR 575 HA TYR 575 -9.314 12.581 -1.148 493 HB2 TYR 575 HB2 TYR 575 -7.182 12.255 -2.425 494 HB3 TYR 575 HB3 TYR 575 -7.515 10.527 -2.433 495 HD1 TYR 575 HD1 TYR 575 -8.604 13.800 -3.731 496 HD2 TYR 575 HD2 TYR 575 -9.189 9.589 -3.870 497 HE1 TYR 575 HE1 TYR 575 -9.963 14.061 -5.763 498 HE2 TYR 575 HE2 TYR 575 -10.549 9.838 -5.899 499 HH TYR 575 HH TYR 575 -11.926 11.601 -6.981 500 H TYR 576 HN TYR 576 -8.344 9.243 -0.373 501 HA TYR 576 HA TYR 576 -10.750 8.163 -1.499 502 HB2 TYR 576 HB2 TYR 576 -8.690 6.811 0.237 503 HB3 TYR 576 HB3 TYR 576 -9.957 6.002 -0.684 504 HD1 TYR 576 HD1 TYR 576 -6.755 5.962 -0.755 505 HD2 TYR 576 HD2 TYR 576 -9.804 7.616 -3.208 506 HE1 TYR 576 HE1 TYR 576 -5.237 5.882 -2.675 507 HE2 TYR 576 HE2 TYR 576 -8.299 7.541 -5.145 508 HH TYR 576 HH TYR 576 -5.502 5.771 -5.237 509 H GLN 577 HN GLN 577 -9.955 9.347 1.654 510 HA GLN 577 HA GLN 577 -12.121 7.918 2.889 511 HB2 GLN 577 HB2 GLN 577 -10.324 10.133 3.831 512 HB3 GLN 577 HB3 GLN 577 -11.753 9.677 4.754 513 HG2 GLN 577 HG2 GLN 577 -10.854 7.339 4.777 514 HG3 GLN 577 HG3 GLN 577 -9.372 7.982 4.070 515 HE21 GLN 577 HE21 GLN 577 -8.197 7.348 5.882 516 HE22 GLN 577 HE22 GLN 577 -8.283 8.201 7.377 517 H GLU 578 HN GLU 578 -11.769 10.880 1.164 518 HA GLU 578 HA GLU 578 -14.478 11.714 1.882 519 HB2 GLU 578 HB2 GLU 578 -12.249 13.082 0.379 520 HB3 GLU 578 HB3 GLU 578 -13.878 13.738 0.460 521 HG2 GLU 578 HG2 GLU 578 -12.133 13.157 2.842 522 HG3 GLU 578 HG3 GLU 578 -12.337 14.743 2.098 523 H LYS 579 HN LYS 579 -12.521 10.745 -0.878 524 HA LYS 579 HA LYS 579 -14.996 10.054 -2.326 525 HB2 LYS 579 HB2 LYS 579 -12.445 11.165 -3.518 526 HB3 LYS 579 HB3 LYS 579 -13.820 10.576 -4.440 527 HG2 LYS 579 HG2 LYS 579 -15.214 12.340 -3.485 528 HG3 LYS 579 HG3 LYS 579 -13.826 12.935 -2.572 529 HD2 LYS 579 HD2 LYS 579 -14.123 14.270 -4.570 530 HD3 LYS 579 HD3 LYS 579 -12.634 13.330 -4.696 531 HE2 LYS 579 HE2 LYS 579 -13.830 11.668 -6.068 532 HE3 LYS 579 HE3 LYS 579 -15.284 12.661 -5.976 533 HZ1 LYS 579 HZ1 LYS 579 -12.700 13.480 -7.183 534 HZ2 LYS 579 HZ2 LYS 579 -14.094 14.433 -7.098 535 HZ3 LYS 579 HZ3 LYS 579 -14.091 13.027 -8.034 536 HA PRO 580 HA PRO 580 -12.325 6.390 -1.564 537 HB2 PRO 580 HB2 PRO 580 -14.898 4.995 -1.328 538 HB3 PRO 580 HB3 PRO 580 -13.581 5.146 -0.151 539 HG2 PRO 580 HG2 PRO 580 -15.918 6.419 0.215 540 HG3 PRO 580 HG3 PRO 580 -14.372 7.174 0.674 541 HD2 PRO 580 HD2 PRO 580 -16.001 7.591 -1.818 542 HD3 PRO 580 HD3 PRO 580 -15.288 8.802 -0.727 543 H ALA 581 HN ALA 581 -12.053 4.370 -2.688 544 HA ALA 581 HA ALA 581 -12.857 4.624 -5.488 545 HB1 ALA 581 HB1 ALA 581 -10.792 2.827 -4.215 546 HB2 ALA 581 HB2 ALA 581 -10.471 4.379 -4.990 547 HB3 ALA 581 HB3 ALA 581 -11.073 3.023 -5.944 548 H ILE 582 HN ILE 582 -13.577 2.703 -6.678 549 HA ILE 582 HA ILE 582 -15.318 1.113 -4.914 550 HB ILE 582 HB ILE 582 -15.888 2.085 -7.716 551 HG12 ILE 582 HG12 ILE 582 -17.002 2.938 -5.042 552 HG13 ILE 582 HG13 ILE 582 -15.922 3.880 -6.046 553 HG21 ILE 582 HG21 ILE 582 -16.943 -0.068 -7.251 554 HG22 ILE 582 HG22 ILE 582 -18.143 1.219 -7.353 555 HG23 ILE 582 HG23 ILE 582 -17.654 0.592 -5.779 556 HD11 ILE 582 HD11 ILE 582 -17.635 4.048 -7.757 557 HD12 ILE 582 HD12 ILE 582 -18.224 4.653 -6.210 558 HD13 ILE 582 HD13 ILE 582 -18.719 3.059 -6.780 559 H ILE 583 HN ILE 583 -15.067 -1.008 -4.945 560 HA ILE 583 HA ILE 583 -14.203 -2.288 -7.453 561 HB ILE 583 HB ILE 583 -13.540 -3.100 -4.625 562 HG12 ILE 583 HG12 ILE 583 -11.881 -2.379 -7.041 563 HG13 ILE 583 HG13 ILE 583 -11.974 -1.528 -5.503 564 HG21 ILE 583 HG21 ILE 583 -12.420 -5.088 -5.662 565 HG22 ILE 583 HG22 ILE 583 -13.319 -4.731 -7.138 566 HG23 ILE 583 HG23 ILE 583 -14.181 -5.122 -5.650 567 HD11 ILE 583 HD11 ILE 583 -9.895 -2.737 -5.648 568 HD12 ILE 583 HD12 ILE 583 -10.755 -4.239 -5.983 569 HD13 ILE 583 HD13 ILE 583 -10.911 -3.469 -4.406 570 H ASN 584 HN ASN 584 -15.655 -3.563 -8.347 571 HA ASN 584 HA ASN 584 -17.599 -4.636 -8.749 572 HB2 ASN 584 HB2 ASN 584 -16.822 -5.905 -6.130 573 HB3 ASN 584 HB3 ASN 584 -18.219 -6.438 -7.059 574 HD21 ASN 584 HD21 ASN 584 -14.785 -6.435 -6.830 575 HD22 ASN 584 HD22 ASN 584 -14.478 -7.486 -8.162 576 H GLY 585 HN GLY 585 -18.063 -2.113 -7.851 577 HA2 GLY 585 HA2 GLY 585 -20.035 -0.952 -7.536 578 HA3 GLY 585 HA1 GLY 585 -20.822 -2.468 -7.134 579 H GLU 586 HN GLU 586 -18.063 -2.069 -5.223 580 HA GLU 586 HA GLU 586 -19.680 -0.908 -3.089 581 HB2 GLU 586 HB2 GLU 586 -19.258 -3.125 -2.453 582 HB3 GLU 586 HB3 GLU 586 -17.628 -3.104 -3.123 583 HG2 GLU 586 HG2 GLU 586 -17.371 -3.046 -0.799 584 HG3 GLU 586 HG3 GLU 586 -17.066 -1.417 -1.407 585 H LYS 587 HN LYS 587 -18.885 0.836 -2.076 586 HA LYS 587 HA LYS 587 -16.498 2.083 -3.135 587 HB2 LYS 587 HB2 LYS 587 -18.537 2.998 -1.097 588 HB3 LYS 587 HB3 LYS 587 -17.176 3.972 -1.637 589 HG2 LYS 587 HG2 LYS 587 -18.025 4.023 -3.880 590 HG3 LYS 587 HG3 LYS 587 -19.315 2.897 -3.461 591 HD2 LYS 587 HD2 LYS 587 -18.978 5.620 -2.216 592 HD3 LYS 587 HD3 LYS 587 -20.014 5.295 -3.606 593 HE2 LYS 587 HE2 LYS 587 -21.313 3.713 -2.273 594 HE3 LYS 587 HE3 LYS 587 -20.269 4.013 -0.886 595 HZ1 LYS 587 HZ1 LYS 587 -21.967 6.047 -2.223 596 HZ2 LYS 587 HZ2 LYS 587 -20.996 6.304 -0.863 597 HZ3 LYS 587 HZ3 LYS 587 -22.334 5.273 -0.765 598 H LEU 588 HN LEU 588 -14.623 1.430 -2.368 599 HA LEU 588 HA LEU 588 -14.347 0.174 0.203 600 HB2 LEU 588 HB2 LEU 588 -12.122 1.114 -1.594 601 HB3 LEU 588 HB1 LEU 588 -12.058 -0.130 -0.362 602 HG LEU 588 HG LEU 588 -13.521 -0.332 -2.987 603 HD11 LEU 588 HD11 LEU 588 -11.798 -2.064 -3.415 604 HD12 LEU 588 HD12 LEU 588 -10.981 -1.555 -1.937 605 HD13 LEU 588 HD13 LEU 588 -11.153 -0.430 -3.283 606 HD21 LEU 588 HD21 LEU 588 -13.883 -2.678 -2.343 607 HD22 LEU 588 HD22 LEU 588 -14.699 -1.560 -1.250 608 HD23 LEU 588 HD23 LEU 588 -13.195 -2.337 -0.754 609 H LEU 589 HN LEU 589 -13.889 1.183 2.054 610 HA LEU 589 HA LEU 589 -12.993 3.928 1.999 611 HB2 LEU 589 HB2 LEU 589 -14.549 3.178 3.749 612 HB3 LEU 589 HB1 LEU 589 -13.374 2.002 4.304 613 HG LEU 589 HG LEU 589 -11.873 3.801 5.008 614 HD11 LEU 589 HD11 LEU 589 -12.469 5.483 3.356 615 HD12 LEU 589 HD12 LEU 589 -12.638 6.129 4.989 616 HD13 LEU 589 HD13 LEU 589 -14.069 5.646 4.079 617 HD21 LEU 589 HD21 LEU 589 -14.689 4.103 6.043 618 HD22 LEU 589 HD22 LEU 589 -13.230 4.668 6.856 619 HD23 LEU 589 HD23 LEU 589 -13.486 2.941 6.606 620 H ILE 590 HN ILE 590 -10.992 4.216 1.362 621 HA ILE 590 HA ILE 590 -8.885 2.360 2.189 622 HB ILE 590 HB ILE 590 -8.780 4.733 0.302 623 HG12 ILE 590 HG12 ILE 590 -8.880 1.781 -0.337 624 HG13 ILE 590 HG13 ILE 590 -10.164 2.943 -0.624 625 HG21 ILE 590 HG21 ILE 590 -6.720 2.617 0.888 626 HG22 ILE 590 HG22 ILE 590 -6.615 4.335 1.267 627 HG23 ILE 590 HG23 ILE 590 -6.608 3.801 -0.413 628 HD11 ILE 590 HD11 ILE 590 -8.984 2.438 -2.687 629 HD12 ILE 590 HD12 ILE 590 -7.455 2.930 -1.958 630 HD13 ILE 590 HD13 ILE 590 -8.722 4.124 -2.235 631 H ARG 591 HN ARG 591 -7.826 2.833 4.032 632 HA ARG 591 HA ARG 591 -7.605 5.622 4.878 633 HB2 ARG 591 HB2 ARG 591 -8.434 4.911 7.189 634 HB3 ARG 591 HB3 ARG 591 -9.631 5.148 5.926 635 HG2 ARG 591 HG2 ARG 591 -9.828 2.771 5.603 636 HG3 ARG 591 HG3 ARG 591 -8.520 2.476 6.753 637 HD2 ARG 591 HD2 ARG 591 -9.821 3.261 8.571 638 HD3 ARG 591 HD3 ARG 591 -11.045 3.933 7.499 639 HE ARG 591 HE ARG 591 -11.420 1.481 6.865 640 HH11 ARG 591 HH11 ARG 591 -10.423 2.540 10.055 641 HH12 ARG 591 HH12 ARG 591 -11.210 1.228 10.874 642 HH21 ARG 591 HH21 ARG 591 -12.475 -0.236 7.953 643 HH22 ARG 591 HH22 ARG 591 -12.366 -0.348 9.682 644 H MET 592 HN MET 592 -6.362 5.839 6.946 645 HA MET 592 HA MET 592 -3.831 4.585 6.511 646 HB2 MET 592 HB2 MET 592 -4.713 6.364 8.796 647 HB3 MET 592 HB3 MET 592 -3.059 5.998 8.341 648 HG2 MET 592 HG2 MET 592 -4.658 7.184 6.185 649 HG3 MET 592 HG3 MET 592 -4.448 8.213 7.600 650 HE1 MET 592 HE1 MET 592 -2.534 6.124 4.838 651 HE2 MET 592 HE2 MET 592 -1.808 5.512 6.324 652 HE3 MET 592 HE3 MET 592 -0.854 6.504 5.217 653 H SER 593 HN SER 593 -3.019 2.815 7.474 654 HA SER 593 HA SER 593 -4.601 1.458 9.502 655 HB2 SER 593 HB2 SER 593 -3.681 0.145 7.636 656 HB3 SER 593 HB3 SER 593 -2.048 0.620 8.097 657 HG SER 593 HG SER 593 -3.867 -0.900 9.664 658 H THR 594 HN THR 594 -4.115 1.383 11.623 659 HA THR 594 HA THR 594 -1.630 2.646 12.508 660 HB THR 594 HB THR 594 -2.776 2.305 14.820 661 HG1 THR 594 HG1 THR 594 -5.217 2.549 13.583 662 HG21 THR 594 HG21 THR 594 -4.043 4.403 14.524 663 HG22 THR 594 HG22 THR 594 -3.847 4.255 12.778 664 HG23 THR 594 HG23 THR 594 -2.434 4.488 13.808 665 H ARG 595 HN ARG 595 -2.817 -0.384 11.828 666 HA ARG 595 HA ARG 595 -1.589 -1.840 13.976 667 HB2 ARG 595 HB2 ARG 595 -2.624 -2.813 11.304 668 HB3 ARG 595 HB3 ARG 595 -2.132 -3.844 12.641 669 HG2 ARG 595 HG2 ARG 595 -3.911 -2.913 14.025 670 HG3 ARG 595 HG3 ARG 595 -4.404 -1.871 12.690 671 HD2 ARG 595 HD2 ARG 595 -4.794 -3.924 11.327 672 HD3 ARG 595 HD3 ARG 595 -4.468 -4.883 12.771 673 HE ARG 595 HE ARG 595 -6.487 -2.934 13.243 674 HH11 ARG 595 HH11 ARG 595 -5.920 -6.083 11.820 675 HH12 ARG 595 HH12 ARG 595 -7.573 -6.590 11.974 676 HH21 ARG 595 HH21 ARG 595 -8.662 -3.587 13.436 677 HH22 ARG 595 HH22 ARG 595 -9.135 -5.167 12.890 678 H TYR 596 HN TYR 596 -0.731 -0.939 10.689 679 HA TYR 596 HA TYR 596 1.949 -2.049 11.186 680 HB2 TYR 596 HB2 TYR 596 0.448 -1.810 8.580 681 HB3 TYR 596 HB3 TYR 596 2.170 -2.144 8.674 682 HD1 TYR 596 HD1 TYR 596 2.934 -4.283 9.786 683 HD2 TYR 596 HD2 TYR 596 -1.143 -3.502 8.860 684 HE1 TYR 596 HE1 TYR 596 2.425 -6.681 10.011 685 HE2 TYR 596 HE2 TYR 596 -1.661 -5.892 9.078 686 HH TYR 596 HH TYR 596 0.447 -8.109 10.488 687 H LYS 597 HN LYS 597 3.609 -0.717 11.120 688 HA LYS 597 HA LYS 597 3.294 2.009 10.134 689 HB2 LYS 597 HB2 LYS 597 5.753 0.645 11.248 690 HB3 LYS 597 HB3 LYS 597 5.556 2.366 10.963 691 HG2 LYS 597 HG2 LYS 597 3.825 2.458 12.679 692 HG3 LYS 597 HG3 LYS 597 4.019 0.727 12.964 693 HD2 LYS 597 HD2 LYS 597 6.147 2.835 13.346 694 HD3 LYS 597 HD3 LYS 597 5.226 2.054 14.632 695 HE2 LYS 597 HE2 LYS 597 7.124 0.701 12.714 696 HE3 LYS 597 HE3 LYS 597 7.434 1.050 14.412 697 HZ1 LYS 597 HZ1 LYS 597 5.358 -0.792 13.359 698 HZ2 LYS 597 HZ2 LYS 597 5.587 -0.426 14.991 699 HZ3 LYS 597 HZ3 LYS 597 6.791 -1.239 14.133 700 H GLU 598 HN GLU 598 4.418 -1.062 9.204 701 HA GLU 598 HA GLU 598 4.900 -0.221 6.508 702 HB2 GLU 598 HB2 GLU 598 7.181 -1.010 6.330 703 HB3 GLU 598 HB3 GLU 598 7.110 0.229 7.570 704 HG2 GLU 598 HG2 GLU 598 7.134 -2.733 8.112 705 HG3 GLU 598 HG3 GLU 598 8.555 -1.694 8.147 706 H LEU 599 HN LEU 599 5.130 -2.083 5.085 707 HA LEU 599 HA LEU 599 3.904 -4.474 6.231 708 HB2 LEU 599 HB2 LEU 599 4.487 -3.733 3.363 709 HB3 LEU 599 HB1 LEU 599 3.684 -5.206 3.875 710 HG LEU 599 HG LEU 599 2.611 -2.409 4.277 711 HD11 LEU 599 HD11 LEU 599 1.057 -2.909 2.556 712 HD12 LEU 599 HD12 LEU 599 1.602 -4.582 2.470 713 HD13 LEU 599 HD13 LEU 599 2.661 -3.284 1.919 714 HD21 LEU 599 HD21 LEU 599 1.917 -4.024 6.017 715 HD22 LEU 599 HD22 LEU 599 1.306 -5.080 4.739 716 HD23 LEU 599 HD23 LEU 599 0.586 -3.495 4.991 717 H GLN 600 HN GLN 600 6.488 -3.703 3.982 718 HA GLN 600 HA GLN 600 8.363 -4.839 3.345 719 HB2 GLN 600 HB2 GLN 600 8.662 -5.031 6.346 720 HB3 GLN 600 HB3 GLN 600 9.963 -5.167 5.169 721 HG2 GLN 600 HG2 GLN 600 9.469 -2.863 4.421 722 HG3 GLN 600 HG3 GLN 600 8.265 -2.740 5.701 723 HE21 GLN 600 HE21 GLN 600 10.625 -1.143 5.268 724 HE22 GLN 600 HE22 GLN 600 11.583 -1.294 6.697 725 H LEU 601 HN LEU 601 7.539 -6.624 2.334 726 HA LEU 601 HA LEU 601 6.555 -8.936 3.610 727 HB2 LEU 601 HB2 LEU 601 7.728 -8.619 0.847 728 HB3 LEU 601 HB1 LEU 601 6.780 -9.986 1.391 729 HG LEU 601 HG LEU 601 5.779 -7.153 1.125 730 HD11 LEU 601 HD11 LEU 601 4.479 -8.035 -0.738 731 HD12 LEU 601 HD12 LEU 601 5.231 -9.616 -0.523 732 HD13 LEU 601 HD13 LEU 601 6.208 -8.236 -1.021 733 HD21 LEU 601 HD21 LEU 601 3.575 -8.144 1.559 734 HD22 LEU 601 HD22 LEU 601 4.662 -8.332 2.935 735 HD23 LEU 601 HD23 LEU 601 4.344 -9.700 1.869 736 H LYS 602 HN LYS 602 7.650 -11.160 2.808 737 HA LYS 602 HA LYS 602 9.977 -11.609 4.248 738 HB2 LYS 602 HB2 LYS 602 8.956 -13.092 1.816 739 HB3 LYS 602 HB3 LYS 602 10.178 -13.697 2.924 740 HG2 LYS 602 HG2 LYS 602 8.578 -13.740 4.730 741 HG3 LYS 602 HG3 LYS 602 7.350 -13.016 3.693 742 HD2 LYS 602 HD2 LYS 602 7.402 -14.983 2.246 743 HD3 LYS 602 HD3 LYS 602 8.655 -15.702 3.260 744 HE2 LYS 602 HE2 LYS 602 6.456 -16.627 3.784 745 HE3 LYS 602 HE3 LYS 602 7.116 -15.736 5.153 746 HZ1 LYS 602 HZ1 LYS 602 5.693 -13.891 4.646 747 HZ2 LYS 602 HZ2 LYS 602 4.745 -15.288 4.742 748 HZ3 LYS 602 HZ3 LYS 602 5.135 -14.637 3.233 749 H LYS 603 HN LYS 603 9.518 -10.721 0.878 750 HA LYS 603 HA LYS 603 12.310 -10.497 0.275 751 HB2 LYS 603 HB2 LYS 603 9.929 -9.214 -1.085 752 HB3 LYS 603 HB3 LYS 603 11.557 -9.315 -1.737 753 HG2 LYS 603 HG2 LYS 603 11.360 -11.769 -1.779 754 HG3 LYS 603 HG3 LYS 603 9.702 -11.620 -1.191 755 HD2 LYS 603 HD2 LYS 603 9.787 -11.924 -3.627 756 HD3 LYS 603 HD3 LYS 603 9.080 -10.371 -3.181 757 HE2 LYS 603 HE2 LYS 603 11.189 -9.256 -3.660 758 HE3 LYS 603 HE3 LYS 603 11.941 -10.804 -4.038 759 HZ1 LYS 603 HZ1 LYS 603 10.471 -11.055 -5.905 760 HZ2 LYS 603 HZ2 LYS 603 11.258 -9.563 -6.021 761 HZ3 LYS 603 HZ3 LYS 603 9.648 -9.631 -5.511 762 HA PRO 604 HA PRO 604 12.531 -6.572 2.474 763 HB2 PRO 604 HB2 PRO 604 15.197 -6.312 2.461 764 HB3 PRO 604 HB3 PRO 604 14.394 -7.511 3.483 765 HG2 PRO 604 HG2 PRO 604 15.783 -7.882 0.860 766 HG3 PRO 604 HG3 PRO 604 15.835 -8.901 2.309 767 HD2 PRO 604 HD2 PRO 604 14.263 -9.411 0.105 768 HD3 PRO 604 HD3 PRO 604 13.919 -10.007 1.739 769 H GLY 605 HN GLY 605 11.887 -6.596 -0.340 770 HA2 GLY 605 HA2 GLY 605 11.878 -5.161 -2.132 771 HA3 GLY 605 HA1 GLY 605 12.727 -4.006 -1.112 772 H LYS 606 HN LYS 606 14.814 -3.611 -1.504 773 HA LYS 606 HA LYS 606 16.278 -5.461 -3.253 774 HB2 LYS 606 HB2 LYS 606 16.217 -2.444 -3.476 775 HB3 LYS 606 HB3 LYS 606 17.312 -3.489 -4.368 776 HG2 LYS 606 HG2 LYS 606 14.309 -3.536 -4.569 777 HG3 LYS 606 HG3 LYS 606 15.405 -2.768 -5.719 778 HD2 LYS 606 HD2 LYS 606 16.410 -4.930 -6.228 779 HD3 LYS 606 HD3 LYS 606 15.364 -5.709 -5.040 780 HE2 LYS 606 HE2 LYS 606 14.479 -6.049 -7.263 781 HE3 LYS 606 HE3 LYS 606 13.398 -5.009 -6.339 782 HZ1 LYS 606 HZ1 LYS 606 13.687 -4.169 -8.568 783 HZ2 LYS 606 HZ2 LYS 606 15.365 -4.110 -8.374 784 HZ3 LYS 606 HZ3 LYS 606 14.374 -3.089 -7.463 785 H ASN 607 HN ASN 607 16.553 -5.651 -0.598 786 HA ASN 607 HA ASN 607 18.719 -4.046 0.387 787 HB2 ASN 607 HB2 ASN 607 17.068 -5.078 1.916 788 HB3 ASN 607 HB3 ASN 607 17.634 -6.675 1.436 789 HD21 ASN 607 HD21 ASN 607 18.371 -3.788 3.218 790 HD22 ASN 607 HD22 ASN 607 19.705 -4.432 4.107 791 H VAL 608 HN VAL 608 20.295 -4.255 -1.207 792 HA VAL 608 HA VAL 608 21.457 -6.916 -1.611 793 HB VAL 608 HB VAL 608 22.140 -4.322 -3.010 794 HG11 VAL 608 HG11 VAL 608 22.856 -7.180 -3.651 795 HG12 VAL 608 HG12 VAL 608 23.955 -5.935 -3.057 796 HG13 VAL 608 HG13 VAL 608 23.230 -5.782 -4.658 797 HG21 VAL 608 HG21 VAL 608 20.374 -6.584 -3.938 798 HG22 VAL 608 HG22 VAL 608 20.850 -5.185 -4.900 799 HG23 VAL 608 HG23 VAL 608 19.834 -4.971 -3.473 800 H ALA 609 HN ALA 609 22.568 -3.596 -1.021 801 HA ALA 609 HA ALA 609 24.923 -4.656 0.360 802 HB1 ALA 609 HB1 ALA 609 25.306 -3.002 -1.423 803 HB2 ALA 609 HB2 ALA 609 25.850 -2.417 0.149 804 HB3 ALA 609 HB3 ALA 609 24.333 -1.832 -0.533 805 H ALA 610 HN ALA 610 22.701 -1.910 0.776 806 HA ALA 610 HA ALA 610 21.892 -2.637 3.390 807 HB1 ALA 610 HB1 ALA 610 23.864 -0.353 3.233 808 HB2 ALA 610 HB2 ALA 610 24.193 -1.936 3.937 809 HB3 ALA 610 HB3 ALA 610 22.986 -0.880 4.669 810 H ILE 611 HN ILE 611 20.167 -1.379 4.055 811 HA ILE 611 HA ILE 611 19.420 0.812 2.235 812 HB ILE 611 HB ILE 611 17.564 -0.895 3.915 813 HG12 ILE 611 HG12 ILE 611 18.020 -0.878 0.918 814 HG13 ILE 611 HG13 ILE 611 18.546 -2.144 2.023 815 HG21 ILE 611 HG21 ILE 611 16.734 1.374 3.598 816 HG22 ILE 611 HG22 ILE 611 15.772 0.226 2.666 817 HG23 ILE 611 HG23 ILE 611 16.973 1.233 1.856 818 HD11 ILE 611 HD11 ILE 611 16.536 -2.790 0.830 819 HD12 ILE 611 HD12 ILE 611 15.694 -1.371 1.453 820 HD13 ILE 611 HD13 ILE 611 16.219 -2.643 2.557 821 H ILE 612 HN ILE 612 20.684 2.274 3.470 822 HA ILE 612 HA ILE 612 20.138 2.684 6.257 823 HB ILE 612 HB ILE 612 21.600 4.488 4.324 824 HG12 ILE 612 HG12 ILE 612 22.677 2.343 6.169 825 HG13 ILE 612 HG13 ILE 612 22.596 2.238 4.417 826 HG21 ILE 612 HG21 ILE 612 20.901 5.626 6.363 827 HG22 ILE 612 HG22 ILE 612 22.650 5.406 6.346 828 HG23 ILE 612 HG23 ILE 612 21.640 4.357 7.339 829 HD11 ILE 612 HD11 ILE 612 24.146 4.147 4.266 830 HD12 ILE 612 HD12 ILE 612 24.837 2.757 5.101 831 HD13 ILE 612 HD13 ILE 612 24.272 4.150 6.025 832 H GLN 613 HN GLN 613 18.459 3.746 7.036 833 HA GLN 613 HA GLN 613 16.876 5.347 5.149 834 HB2 GLN 613 HB2 GLN 613 16.016 3.830 7.615 835 HB3 GLN 613 HB3 GLN 613 14.952 4.822 6.627 836 HG2 GLN 613 HG2 GLN 613 15.347 3.370 4.716 837 HG3 GLN 613 HG3 GLN 613 16.449 2.390 5.680 838 HE21 GLN 613 HE21 GLN 613 15.224 0.547 5.395 839 HE22 GLN 613 HE22 GLN 613 13.709 0.311 6.189 840 H ASP 614 HN ASP 614 19.110 6.031 7.271 841 HA ASP 614 HA ASP 614 17.929 7.863 9.057 842 HB2 ASP 614 HB2 ASP 614 20.295 7.115 9.223 843 HB3 ASP 614 HB3 ASP 614 20.668 8.055 7.781 844 H ILE 615 HN ILE 615 19.521 8.444 5.928 845 HA ILE 615 HA ILE 615 17.661 10.663 5.465 846 HB ILE 615 HB ILE 615 20.007 9.720 3.795 847 HG12 ILE 615 HG12 ILE 615 19.700 12.190 5.518 848 HG13 ILE 615 HG13 ILE 615 20.653 10.773 5.940 849 HG21 ILE 615 HG21 ILE 615 18.221 12.128 3.463 850 HG22 ILE 615 HG22 ILE 615 18.267 10.711 2.415 851 HG23 ILE 615 HG23 ILE 615 19.665 11.784 2.509 852 HD11 ILE 615 HD11 ILE 615 22.118 11.185 4.038 853 HD12 ILE 615 HD12 ILE 615 22.052 12.580 5.114 854 HD13 ILE 615 HD13 ILE 615 21.153 12.594 3.598 855 H HIS 616 HN HIS 616 15.782 10.104 4.581 856 HA HIS 616 HA HIS 616 15.404 7.432 3.633 857 HB2 HIS 616 HB2 HIS 616 13.563 9.753 4.069 858 HB3 HIS 616 HB3 HIS 616 13.018 8.316 3.216 859 HD1 HIS 616 HD1 HIS 616 13.484 9.663 6.579 860 HD2 HIS 616 HD2 HIS 616 13.152 5.908 4.831 861 HE1 HIS 616 HE1 HIS 616 12.927 8.090 8.456 862 HE2 HIS 616 HE2 HIS 616 12.508 5.875 7.331 863 H SER 617 HN SER 617 17.023 7.895 1.861 864 HA SER 617 HA SER 617 15.371 7.967 -0.538 865 HB2 SER 617 HB2 SER 617 17.194 9.204 -1.763 866 HB3 SER 617 HB3 SER 617 16.325 10.176 -0.578 867 HG SER 617 HG SER 617 18.953 9.563 -0.701 868 H GLN 618 HN GLN 618 16.466 5.923 1.126 869 HA GLN 618 HA GLN 618 17.651 4.002 1.131 870 HB2 GLN 618 HB2 GLN 618 17.214 4.397 -1.819 871 HB3 GLN 618 HB3 GLN 618 17.988 2.956 -1.169 872 HG2 GLN 618 HG2 GLN 618 16.002 2.495 0.169 873 HG3 GLN 618 HG3 GLN 618 15.226 3.933 -0.492 874 HE21 GLN 618 HE21 GLN 618 14.527 3.921 -2.624 875 HE22 GLN 618 HE22 GLN 618 14.322 2.449 -3.512 876 H ARG 619 HN ARG 619 19.419 5.340 2.009 877 HA ARG 619 HA ARG 619 21.649 5.780 0.185 878 HB2 ARG 619 HB2 ARG 619 21.397 6.320 3.152 879 HB3 ARG 619 HB3 ARG 619 22.761 6.786 2.145 880 HG2 ARG 619 HG2 ARG 619 19.931 7.774 1.840 881 HG3 ARG 619 HG3 ARG 619 21.267 8.666 2.569 882 HD2 ARG 619 HD2 ARG 619 21.183 7.689 -0.285 883 HD3 ARG 619 HD3 ARG 619 20.823 9.335 0.233 884 HE ARG 619 HE ARG 619 23.247 9.094 1.220 885 HH11 ARG 619 HH11 ARG 619 22.072 8.004 -1.898 886 HH12 ARG 619 HH12 ARG 619 23.607 8.205 -2.681 887 HH21 ARG 619 HH21 ARG 619 25.251 9.377 0.180 888 HH22 ARG 619 HH22 ARG 619 25.404 8.999 -1.510 889 H GLU 620 HN GLU 620 23.820 5.000 0.859 890 HA GLU 620 HA GLU 620 23.943 2.637 2.501 891 HB2 GLU 620 HB2 GLU 620 24.746 1.161 0.690 892 HB3 GLU 620 HB3 GLU 620 23.076 1.657 0.443 893 HG2 GLU 620 HG2 GLU 620 23.708 3.224 -1.237 894 HG3 GLU 620 HG3 GLU 620 25.419 3.002 -0.877 895 H ARG 621 HN ARG 621 26.232 1.661 2.284 896 HA ARG 621 HA ARG 621 28.193 3.694 1.497 897 HB2 ARG 621 HB2 ARG 621 28.172 2.116 4.070 898 HB3 ARG 621 HB3 ARG 621 29.610 2.912 3.451 899 HG2 ARG 621 HG2 ARG 621 28.280 5.055 3.464 900 HG3 ARG 621 HG3 ARG 621 27.046 4.176 4.369 901 HD2 ARG 621 HD2 ARG 621 29.926 4.468 5.212 902 HD3 ARG 621 HD3 ARG 621 28.599 5.458 5.812 903 HE ARG 621 HE ARG 621 27.737 2.984 6.373 904 HH11 ARG 621 HH11 ARG 621 30.829 4.534 6.928 905 HH12 ARG 621 HH12 ARG 621 31.151 3.648 8.386 906 HH21 ARG 621 HH21 ARG 621 28.160 1.817 8.281 907 HH22 ARG 621 HH22 ARG 621 29.638 2.092 9.150 Start of MODEL 12 1 H1 GLY 510 HT1 GLY 510 13.321 -7.880 -8.836 2 H2 GLY 510 HT2 GLY 510 12.791 -8.426 -10.344 3 H3 GLY 510 HT3 GLY 510 11.953 -8.864 -8.944 4 HA2 GLY 510 HA1 GLY 510 12.204 -6.102 -9.989 5 HA3 GLY 510 HA2 GLY 510 10.792 -7.130 -10.186 6 H ALA 511 HN ALA 511 12.760 -5.362 -7.876 7 HA ALA 511 HA ALA 511 10.399 -5.073 -6.186 8 HB1 ALA 511 HB1 ALA 511 11.633 -5.600 -4.148 9 HB2 ALA 511 HB2 ALA 511 13.057 -6.004 -5.104 10 HB3 ALA 511 HB3 ALA 511 11.598 -6.984 -5.240 11 H MET 512 HN MET 512 10.125 -2.971 -5.946 12 HA MET 512 HA MET 512 12.515 -1.264 -5.698 13 HB2 MET 512 HB2 MET 512 9.863 -0.585 -6.986 14 HB3 MET 512 HB3 MET 512 11.149 0.574 -6.684 15 HG2 MET 512 HG2 MET 512 12.634 -0.827 -8.122 16 HG3 MET 512 HG3 MET 512 11.218 -1.791 -8.537 17 HE1 MET 512 HE1 MET 512 11.817 2.652 -9.638 18 HE2 MET 512 HE2 MET 512 12.993 1.661 -8.774 19 HE3 MET 512 HE3 MET 512 11.492 2.139 -7.983 20 H ALA 513 HN ALA 513 11.193 -2.589 -3.586 21 HA ALA 513 HA ALA 513 9.402 -0.934 -2.186 22 HB1 ALA 513 HB1 ALA 513 9.730 -3.305 -1.655 23 HB2 ALA 513 HB2 ALA 513 9.964 -2.283 -0.237 24 HB3 ALA 513 HB3 ALA 513 11.361 -2.947 -1.086 25 H GLN 514 HN GLN 514 9.719 0.775 -0.850 26 HA GLN 514 HA GLN 514 12.373 1.925 -0.755 27 HB2 GLN 514 HB2 GLN 514 9.709 2.896 0.283 28 HB3 GLN 514 HB3 GLN 514 11.212 3.782 0.490 29 HG2 GLN 514 HG2 GLN 514 9.986 3.035 -2.156 30 HG3 GLN 514 HG3 GLN 514 9.865 4.614 -1.382 31 HE21 GLN 514 HE21 GLN 514 11.926 2.397 -3.069 32 HE22 GLN 514 HE22 GLN 514 13.208 3.511 -3.379 33 H ARG 515 HN ARG 515 10.423 -0.091 1.159 34 HA ARG 515 HA ARG 515 10.738 -1.115 3.165 35 HB2 ARG 515 HB2 ARG 515 13.387 0.265 2.947 36 HB3 ARG 515 HB3 ARG 515 12.951 -0.652 4.384 37 HG2 ARG 515 HG2 ARG 515 12.589 -2.641 2.944 38 HG3 ARG 515 HG3 ARG 515 13.185 -1.702 1.572 39 HD2 ARG 515 HD2 ARG 515 15.342 -1.547 2.470 40 HD3 ARG 515 HD3 ARG 515 14.799 -2.000 4.084 41 HE ARG 515 HE ARG 515 14.300 -4.125 2.316 42 HH11 ARG 515 HH11 ARG 515 16.971 -2.462 3.851 43 HH12 ARG 515 HH12 ARG 515 17.989 -3.872 3.892 44 HH21 ARG 515 HH21 ARG 515 15.631 -5.984 2.382 45 HH22 ARG 515 HH22 ARG 515 17.227 -5.874 3.054 46 H LYS 516 HN LYS 516 11.554 2.277 3.051 47 HA LYS 516 HA LYS 516 11.076 3.262 5.525 48 HB2 LYS 516 HB2 LYS 516 9.826 4.325 2.973 49 HB3 LYS 516 HB3 LYS 516 10.055 5.240 4.455 50 HG2 LYS 516 HG2 LYS 516 12.438 5.151 4.221 51 HG3 LYS 516 HG3 LYS 516 12.307 4.040 2.858 52 HD2 LYS 516 HD2 LYS 516 12.765 6.264 2.038 53 HD3 LYS 516 HD3 LYS 516 11.128 5.796 1.582 54 HE2 LYS 516 HE2 LYS 516 11.165 8.095 2.350 55 HE3 LYS 516 HE3 LYS 516 10.244 7.091 3.469 56 HZ1 LYS 516 HZ1 LYS 516 11.788 8.690 4.543 57 HZ2 LYS 516 HZ2 LYS 516 13.087 7.827 3.889 58 HZ3 LYS 516 HZ3 LYS 516 12.047 7.083 4.992 59 H GLY 517 HN GLY 517 8.678 2.036 3.279 60 HA2 GLY 517 HA2 GLY 517 6.526 1.346 3.560 61 HA3 GLY 517 HA1 GLY 517 6.829 1.330 5.292 62 H ALA 518 HN ALA 518 7.459 4.205 3.606 63 HA ALA 518 HA ALA 518 6.583 6.294 3.635 64 HB1 ALA 518 HB1 ALA 518 4.584 5.242 2.654 65 HB2 ALA 518 HB2 ALA 518 4.186 6.608 3.694 66 HB3 ALA 518 HB3 ALA 518 3.957 4.960 4.278 67 H GLY 519 HN GLY 519 6.291 4.204 6.305 68 HA2 GLY 519 HA2 GLY 519 6.482 4.769 8.582 69 HA3 GLY 519 HA1 GLY 519 6.075 6.437 8.181 70 H ARG 520 HN ARG 520 4.080 4.698 6.393 71 HA ARG 520 HA ARG 520 2.050 4.070 8.366 72 HB2 ARG 520 HB2 ARG 520 1.585 6.124 6.186 73 HB3 ARG 520 HB3 ARG 520 0.350 5.474 7.252 74 HG2 ARG 520 HG2 ARG 520 1.445 6.515 9.167 75 HG3 ARG 520 HG3 ARG 520 2.704 7.147 8.102 76 HD2 ARG 520 HD2 ARG 520 0.968 8.370 6.840 77 HD3 ARG 520 HD3 ARG 520 -0.236 7.800 7.992 78 HE ARG 520 HE ARG 520 1.988 9.223 9.164 79 HH11 ARG 520 HH11 ARG 520 -1.233 9.452 7.810 80 HH12 ARG 520 HH12 ARG 520 -1.589 10.965 8.579 81 HH21 ARG 520 HH21 ARG 520 1.521 11.222 10.181 82 HH22 ARG 520 HH22 ARG 520 -0.016 11.976 9.926 83 H VAL 521 HN VAL 521 0.775 2.449 7.650 84 HA VAL 521 HA VAL 521 0.925 1.705 4.810 85 HB VAL 521 HB VAL 521 0.448 -0.044 7.234 86 HG11 VAL 521 HG11 VAL 521 0.290 -0.810 4.317 87 HG12 VAL 521 HG12 VAL 521 -1.070 -0.722 5.436 88 HG13 VAL 521 HG13 VAL 521 0.201 -1.919 5.684 89 HG21 VAL 521 HG21 VAL 521 2.781 0.416 6.808 90 HG22 VAL 521 HG22 VAL 521 2.589 -0.033 5.113 91 HG23 VAL 521 HG23 VAL 521 2.418 -1.256 6.373 92 H VAL 522 HN VAL 522 -0.977 1.431 3.690 93 HA VAL 522 HA VAL 522 -3.356 2.458 5.071 94 HB VAL 522 HB VAL 522 -2.782 2.151 2.120 95 HG11 VAL 522 HG11 VAL 522 -4.801 3.440 1.761 96 HG12 VAL 522 HG12 VAL 522 -5.128 3.420 3.493 97 HG13 VAL 522 HG13 VAL 522 -5.145 1.914 2.574 98 HG21 VAL 522 HG21 VAL 522 -2.690 4.594 2.119 99 HG22 VAL 522 HG22 VAL 522 -1.451 3.897 3.163 100 HG23 VAL 522 HG23 VAL 522 -2.909 4.596 3.868 101 H HIS 523 HN HIS 523 -5.151 1.224 5.363 102 HA HIS 523 HA HIS 523 -5.061 -1.473 4.203 103 HB2 HIS 523 HB2 HIS 523 -6.187 -2.383 6.070 104 HB3 HIS 523 HB3 HIS 523 -4.943 -1.341 6.734 105 HD1 HIS 523 HD1 HIS 523 -5.738 0.044 8.633 106 HD2 HIS 523 HD2 HIS 523 -8.828 -0.954 6.046 107 HE1 HIS 523 HE1 HIS 523 -7.823 0.960 9.687 108 HE2 HIS 523 HE2 HIS 523 -9.691 0.101 8.238 109 H ILE 524 HN ILE 524 -6.795 -2.273 3.158 110 HA ILE 524 HA ILE 524 -8.918 -0.326 2.571 111 HB ILE 524 HB ILE 524 -7.746 -2.486 0.821 112 HG12 ILE 524 HG12 ILE 524 -7.775 0.528 0.564 113 HG13 ILE 524 HG13 ILE 524 -6.392 -0.441 1.059 114 HG21 ILE 524 HG21 ILE 524 -10.093 -2.429 0.381 115 HG22 ILE 524 HG22 ILE 524 -9.266 -1.595 -0.935 116 HG23 ILE 524 HG23 ILE 524 -10.091 -0.665 0.316 117 HD11 ILE 524 HD11 ILE 524 -6.319 0.319 -1.293 118 HD12 ILE 524 HD12 ILE 524 -7.744 -0.668 -1.615 119 HD13 ILE 524 HD13 ILE 524 -6.239 -1.430 -1.106 120 H CYS 525 HN CYS 525 -10.959 -0.849 2.954 121 HA CYS 525 HA CYS 525 -11.521 -3.567 3.935 122 HB2 CYS 525 HB2 CYS 525 -12.915 -0.965 4.600 123 HB3 CYS 525 HB3 CYS 525 -13.310 -2.541 5.270 124 HG CYS 525 HG CYS 525 -11.955 -1.908 7.374 125 H ASN 526 HN ASN 526 -13.977 -4.055 3.778 126 HA ASN 526 HA ASN 526 -15.863 -4.415 2.573 127 HB2 ASN 526 HB2 ASN 526 -15.042 -1.840 1.233 128 HB3 ASN 526 HB3 ASN 526 -16.507 -2.714 0.800 129 HD21 ASN 526 HD21 ASN 526 -18.255 -2.620 2.103 130 HD22 ASN 526 HD22 ASN 526 -18.354 -1.611 3.504 131 H LEU 527 HN LEU 527 -13.250 -5.504 1.795 132 HA LEU 527 HA LEU 527 -13.357 -5.642 -1.106 133 HB2 LEU 527 HB2 LEU 527 -11.509 -6.844 0.954 134 HB3 LEU 527 HB1 LEU 527 -11.345 -7.127 -0.768 135 HG LEU 527 HG LEU 527 -11.243 -4.374 0.461 136 HD11 LEU 527 HD11 LEU 527 -9.418 -5.820 1.319 137 HD12 LEU 527 HD12 LEU 527 -8.846 -4.484 0.318 138 HD13 LEU 527 HD13 LEU 527 -8.919 -6.119 -0.347 139 HD21 LEU 527 HD21 LEU 527 -11.818 -4.420 -1.894 140 HD22 LEU 527 HD22 LEU 527 -10.439 -5.466 -2.231 141 HD23 LEU 527 HD23 LEU 527 -10.176 -3.810 -1.681 142 HA PRO 528 HA PRO 528 -15.701 -9.532 -0.926 143 HB2 PRO 528 HB2 PRO 528 -15.372 -9.330 -3.844 144 HB3 PRO 528 HB3 PRO 528 -16.851 -9.496 -2.894 145 HG2 PRO 528 HG2 PRO 528 -16.210 -7.198 -4.128 146 HG3 PRO 528 HG3 PRO 528 -17.055 -7.223 -2.569 147 HD2 PRO 528 HD2 PRO 528 -14.175 -6.674 -3.157 148 HD3 PRO 528 HD3 PRO 528 -15.254 -5.905 -1.976 149 H GLU 529 HN GLU 529 -14.747 -11.436 -0.701 150 HA GLU 529 HA GLU 529 -12.073 -11.939 -1.524 151 HB2 GLU 529 HB2 GLU 529 -13.927 -13.119 0.246 152 HB3 GLU 529 HB3 GLU 529 -13.476 -14.367 -0.908 153 HG2 GLU 529 HG2 GLU 529 -11.525 -12.716 0.683 154 HG3 GLU 529 HG3 GLU 529 -12.063 -14.336 1.117 155 H GLY 530 HN GLY 530 -11.277 -13.065 -3.215 156 HA2 GLY 530 HA2 GLY 530 -11.227 -14.518 -5.011 157 HA3 GLY 530 HA1 GLY 530 -12.934 -14.837 -4.766 158 H SER 531 HN SER 531 -13.281 -11.758 -4.888 159 HA SER 531 HA SER 531 -13.545 -11.756 -7.807 160 HB2 SER 531 HB2 SER 531 -15.567 -11.387 -6.332 161 HB3 SER 531 HB3 SER 531 -14.847 -9.848 -5.858 162 HG SER 531 HG SER 531 -15.317 -10.569 -8.558 163 H CYS 532 HN CYS 532 -12.179 -9.935 -5.136 164 HA CYS 532 HA CYS 532 -11.168 -7.841 -6.840 165 HB2 CYS 532 HB2 CYS 532 -10.408 -8.522 -3.992 166 HB3 CYS 532 HB3 CYS 532 -10.061 -7.016 -4.836 167 HG CYS 532 HG CYS 532 -12.822 -7.981 -3.244 168 H THR 533 HN THR 533 -9.082 -7.640 -7.604 169 HA THR 533 HA THR 533 -7.396 -10.008 -7.222 170 HB THR 533 HB THR 533 -6.174 -9.333 -9.235 171 HG1 THR 533 HG1 THR 533 -8.104 -7.236 -9.530 172 HG21 THR 533 HG21 THR 533 -9.161 -9.356 -9.684 173 HG22 THR 533 HG22 THR 533 -8.130 -10.777 -9.513 174 HG23 THR 533 HG23 THR 533 -7.932 -9.705 -10.899 175 H GLU 534 HN GLU 534 -5.091 -9.650 -6.934 176 HA GLU 534 HA GLU 534 -4.405 -7.770 -5.001 177 HB2 GLU 534 HB2 GLU 534 -2.474 -8.848 -7.054 178 HB3 GLU 534 HB3 GLU 534 -2.135 -8.379 -5.394 179 HG2 GLU 534 HG2 GLU 534 -3.332 -10.276 -4.551 180 HG3 GLU 534 HG3 GLU 534 -3.889 -10.695 -6.166 181 H ASN 535 HN ASN 535 -4.321 -7.657 -8.482 182 HA ASN 535 HA ASN 535 -2.803 -5.342 -8.863 183 HB2 ASN 535 HB2 ASN 535 -3.463 -7.080 -10.583 184 HB3 ASN 535 HB3 ASN 535 -5.040 -6.305 -10.645 185 HD21 ASN 535 HD21 ASN 535 -4.933 -5.606 -12.713 186 HD22 ASN 535 HD22 ASN 535 -3.803 -4.425 -13.279 187 H ASP 536 HN ASP 536 -6.336 -5.768 -8.509 188 HA ASP 536 HA ASP 536 -7.039 -3.093 -9.067 189 HB2 ASP 536 HB2 ASP 536 -8.446 -5.198 -7.417 190 HB3 ASP 536 HB3 ASP 536 -9.117 -3.596 -7.686 191 H VAL 537 HN VAL 537 -6.388 -4.743 -6.018 192 HA VAL 537 HA VAL 537 -6.969 -2.593 -4.306 193 HB VAL 537 HB VAL 537 -5.152 -4.967 -3.916 194 HG11 VAL 537 HG11 VAL 537 -6.307 -3.186 -1.793 195 HG12 VAL 537 HG12 VAL 537 -4.638 -3.109 -2.356 196 HG13 VAL 537 HG13 VAL 537 -5.236 -4.565 -1.561 197 HG21 VAL 537 HG21 VAL 537 -7.058 -5.875 -2.649 198 HG22 VAL 537 HG22 VAL 537 -7.437 -5.601 -4.349 199 HG23 VAL 537 HG23 VAL 537 -8.014 -4.468 -3.124 200 H ILE 538 HN ILE 538 -3.932 -3.670 -5.764 201 HA ILE 538 HA ILE 538 -2.294 -1.688 -4.580 202 HB ILE 538 HB ILE 538 -1.940 -3.293 -7.117 203 HG12 ILE 538 HG12 ILE 538 -0.666 -3.637 -4.398 204 HG13 ILE 538 HG13 ILE 538 -2.092 -4.520 -4.930 205 HG21 ILE 538 HG21 ILE 538 0.451 -2.701 -6.951 206 HG22 ILE 538 HG22 ILE 538 0.059 -1.578 -5.650 207 HG23 ILE 538 HG23 ILE 538 -0.575 -1.304 -7.271 208 HD11 ILE 538 HD11 ILE 538 -0.786 -5.501 -6.752 209 HD12 ILE 538 HD12 ILE 538 -0.109 -5.872 -5.166 210 HD13 ILE 538 HD13 ILE 538 0.642 -4.637 -6.178 211 H ASN 539 HN ASN 539 -4.070 -1.856 -7.630 212 HA ASN 539 HA ASN 539 -3.084 0.536 -8.736 213 HB2 ASN 539 HB2 ASN 539 -5.515 -1.129 -9.281 214 HB3 ASN 539 HB3 ASN 539 -5.313 0.432 -10.069 215 HD21 ASN 539 HD21 ASN 539 -5.378 -2.223 -11.229 216 HD22 ASN 539 HD22 ASN 539 -3.878 -2.416 -12.069 217 H LEU 540 HN LEU 540 -5.616 -0.044 -6.404 218 HA LEU 540 HA LEU 540 -7.030 2.361 -6.795 219 HB2 LEU 540 HB2 LEU 540 -6.763 0.674 -4.316 220 HB3 LEU 540 HB1 LEU 540 -7.879 2.014 -4.485 221 HG LEU 540 HG LEU 540 -7.932 -0.627 -5.923 222 HD11 LEU 540 HD11 LEU 540 -10.136 -0.790 -4.926 223 HD12 LEU 540 HD12 LEU 540 -9.942 0.804 -4.197 224 HD13 LEU 540 HD13 LEU 540 -8.911 -0.534 -3.684 225 HD21 LEU 540 HD21 LEU 540 -9.914 0.252 -7.123 226 HD22 LEU 540 HD22 LEU 540 -8.408 1.034 -7.598 227 HD23 LEU 540 HD23 LEU 540 -9.526 1.862 -6.516 228 H GLY 541 HN GLY 541 -4.224 1.612 -4.783 229 HA2 GLY 541 HA2 GLY 541 -4.325 4.160 -3.431 230 HA3 GLY 541 HA1 GLY 541 -3.051 2.959 -3.298 231 H LEU 542 HN LEU 542 -2.580 2.797 -6.122 232 HA LEU 542 HA LEU 542 -0.423 4.454 -6.354 233 HB2 LEU 542 HB2 LEU 542 -2.073 3.110 -8.454 234 HB3 LEU 542 HB1 LEU 542 -0.642 4.033 -8.866 235 HG LEU 542 HG LEU 542 -0.652 1.672 -6.985 236 HD11 LEU 542 HD11 LEU 542 0.187 1.830 -9.874 237 HD12 LEU 542 HD12 LEU 542 -1.225 0.980 -9.253 238 HD13 LEU 542 HD13 LEU 542 0.392 0.440 -8.810 239 HD21 LEU 542 HD21 LEU 542 1.776 1.770 -7.298 240 HD22 LEU 542 HD22 LEU 542 1.148 3.237 -6.554 241 HD23 LEU 542 HD23 LEU 542 1.587 3.233 -8.262 242 HA PRO 543 HA PRO 543 -3.052 7.374 -9.419 243 HB2 PRO 543 HB2 PRO 543 -5.316 7.616 -7.455 244 HB3 PRO 543 HB3 PRO 543 -5.329 7.822 -9.218 245 HG2 PRO 543 HG2 PRO 543 -6.203 5.575 -8.209 246 HG3 PRO 543 HG3 PRO 543 -5.091 5.514 -9.593 247 HD2 PRO 543 HD2 PRO 543 -4.533 5.024 -6.692 248 HD3 PRO 543 HD3 PRO 543 -3.929 4.155 -8.116 249 H PHE 544 HN PHE 544 -3.188 7.732 -5.848 250 HA PHE 544 HA PHE 544 -2.285 10.500 -6.276 251 HB2 PHE 544 HB2 PHE 544 -3.807 9.286 -3.992 252 HB3 PHE 544 HB1 PHE 544 -3.031 10.863 -3.874 253 HD1 PHE 544 HD1 PHE 544 -5.646 8.924 -5.579 254 HD2 PHE 544 HD2 PHE 544 -3.948 12.774 -4.952 255 HE1 PHE 544 HE1 PHE 544 -7.624 9.959 -6.610 256 HE2 PHE 544 HE2 PHE 544 -5.921 13.817 -5.982 257 HZ PHE 544 HZ PHE 544 -7.716 12.419 -6.893 258 H GLY 545 HN GLY 545 -1.276 7.492 -5.056 259 HA2 GLY 545 HA2 GLY 545 1.132 8.772 -3.936 260 HA3 GLY 545 HA1 GLY 545 0.340 7.439 -3.120 261 H LYS 546 HN LYS 546 2.140 6.180 -3.180 262 HA LYS 546 HA LYS 546 2.604 4.820 -5.720 263 HB2 LYS 546 HB2 LYS 546 4.404 6.479 -5.571 264 HB3 LYS 546 HB3 LYS 546 4.813 5.912 -3.959 265 HG2 LYS 546 HG2 LYS 546 6.402 5.034 -5.515 266 HG3 LYS 546 HG3 LYS 546 5.394 3.707 -4.930 267 HD2 LYS 546 HD2 LYS 546 4.071 3.788 -6.966 268 HD3 LYS 546 HD3 LYS 546 5.013 5.164 -7.546 269 HE2 LYS 546 HE2 LYS 546 7.023 3.783 -7.575 270 HE3 LYS 546 HE3 LYS 546 6.101 2.411 -6.965 271 HZ1 LYS 546 HZ1 LYS 546 5.582 3.785 -9.547 272 HZ2 LYS 546 HZ2 LYS 546 4.800 2.399 -8.972 273 HZ3 LYS 546 HZ3 LYS 546 6.439 2.337 -9.380 274 H VAL 547 HN VAL 547 2.986 2.646 -5.467 275 HA VAL 547 HA VAL 547 2.742 1.616 -2.746 276 HB VAL 547 HB VAL 547 2.120 0.285 -5.387 277 HG11 VAL 547 HG11 VAL 547 2.933 -1.326 -3.757 278 HG12 VAL 547 HG12 VAL 547 1.203 -1.541 -4.027 279 HG13 VAL 547 HG13 VAL 547 1.774 -0.733 -2.569 280 HG21 VAL 547 HG21 VAL 547 0.300 1.276 -3.193 281 HG22 VAL 547 HG22 VAL 547 -0.211 0.396 -4.633 282 HG23 VAL 547 HG23 VAL 547 0.500 2.002 -4.787 283 H THR 548 HN THR 548 4.512 0.858 -1.885 284 HA THR 548 HA THR 548 6.743 0.016 -3.562 285 HB THR 548 HB THR 548 7.939 -0.083 -1.338 286 HG1 THR 548 HG1 THR 548 6.792 0.183 0.427 287 HG21 THR 548 HG21 THR 548 8.041 1.903 -2.807 288 HG22 THR 548 HG22 THR 548 8.125 2.322 -1.097 289 HG23 THR 548 HG23 THR 548 6.621 2.555 -1.987 290 H ASN 549 HN ASN 549 4.490 -1.217 -1.197 291 HA ASN 549 HA ASN 549 5.150 -3.977 -1.854 292 HB2 ASN 549 HB2 ASN 549 5.408 -2.788 0.914 293 HB3 ASN 549 HB3 ASN 549 5.141 -4.506 0.661 294 HD21 ASN 549 HD21 ASN 549 7.376 -2.942 1.829 295 HD22 ASN 549 HD22 ASN 549 8.780 -3.496 0.981 296 H TYR 550 HN TYR 550 3.515 -5.471 -0.855 297 HA TYR 550 HA TYR 550 1.153 -4.199 0.243 298 HB2 TYR 550 HB2 TYR 550 -0.402 -5.133 -1.346 299 HB3 TYR 550 HB3 TYR 550 0.792 -4.197 -2.234 300 HD1 TYR 550 HD1 TYR 550 -1.029 -7.134 -2.297 301 HD2 TYR 550 HD2 TYR 550 2.925 -5.718 -2.958 302 HE1 TYR 550 HE1 TYR 550 -0.576 -9.092 -3.711 303 HE2 TYR 550 HE2 TYR 550 3.390 -7.668 -4.381 304 HH TYR 550 HH TYR 550 0.951 -9.731 -5.531 305 H ILE 551 HN ILE 551 -0.135 -5.602 1.439 306 HA ILE 551 HA ILE 551 0.671 -8.414 1.525 307 HB ILE 551 HB ILE 551 0.566 -6.565 3.916 308 HG12 ILE 551 HG12 ILE 551 2.592 -8.550 2.854 309 HG13 ILE 551 HG13 ILE 551 2.743 -6.798 2.895 310 HG21 ILE 551 HG21 ILE 551 -0.839 -8.468 4.467 311 HG22 ILE 551 HG22 ILE 551 0.682 -8.558 5.355 312 HG23 ILE 551 HG23 ILE 551 0.424 -9.582 3.943 313 HD11 ILE 551 HD11 ILE 551 4.091 -7.850 4.620 314 HD12 ILE 551 HD12 ILE 551 2.653 -8.618 5.292 315 HD13 ILE 551 HD13 ILE 551 2.817 -6.863 5.334 316 H LEU 552 HN LEU 552 -1.013 -9.658 1.333 317 HA LEU 552 HA LEU 552 -3.677 -8.510 1.785 318 HB2 LEU 552 HB2 LEU 552 -2.716 -10.788 0.063 319 HB3 LEU 552 HB1 LEU 552 -4.412 -10.436 0.330 320 HG LEU 552 HG LEU 552 -2.490 -8.441 -0.859 321 HD11 LEU 552 HD11 LEU 552 -2.627 -10.409 -2.305 322 HD12 LEU 552 HD12 LEU 552 -3.465 -9.030 -3.019 323 HD13 LEU 552 HD13 LEU 552 -4.389 -10.324 -2.255 324 HD21 LEU 552 HD21 LEU 552 -5.486 -8.612 -0.708 325 HD22 LEU 552 HD22 LEU 552 -4.588 -7.418 -1.652 326 HD23 LEU 552 HD23 LEU 552 -4.442 -7.444 0.106 327 H MET 553 HN MET 553 -4.574 -9.068 3.667 328 HA MET 553 HA MET 553 -4.090 -11.782 4.688 329 HB2 MET 553 HB2 MET 553 -5.386 -9.397 6.032 330 HB3 MET 553 HB3 MET 553 -5.142 -10.968 6.776 331 HG2 MET 553 HG2 MET 553 -2.957 -9.126 5.832 332 HG3 MET 553 HG3 MET 553 -3.485 -9.324 7.501 333 HE1 MET 553 HE1 MET 553 -0.008 -11.037 7.630 334 HE2 MET 553 HE2 MET 553 -1.098 -9.881 8.394 335 HE3 MET 553 HE3 MET 553 -0.473 -9.568 6.776 336 H LYS 554 HN LYS 554 -5.408 -12.790 3.137 337 HA LYS 554 HA LYS 554 -8.096 -11.997 2.684 338 HB2 LYS 554 HB2 LYS 554 -6.576 -14.505 2.008 339 HB3 LYS 554 HB3 LYS 554 -8.264 -14.270 1.572 340 HG2 LYS 554 HG2 LYS 554 -5.959 -12.524 0.703 341 HG3 LYS 554 HG3 LYS 554 -6.778 -13.734 -0.288 342 HD2 LYS 554 HD2 LYS 554 -8.914 -12.408 0.181 343 HD3 LYS 554 HD3 LYS 554 -7.846 -11.128 0.762 344 HE2 LYS 554 HE2 LYS 554 -8.416 -10.736 -1.562 345 HE3 LYS 554 HE3 LYS 554 -6.701 -11.129 -1.423 346 HZ1 LYS 554 HZ1 LYS 554 -7.833 -12.274 -3.271 347 HZ2 LYS 554 HZ2 LYS 554 -8.814 -13.084 -2.151 348 HZ3 LYS 554 HZ3 LYS 554 -7.138 -13.345 -2.162 349 H SER 555 HN SER 555 -6.531 -14.107 4.940 350 HA SER 555 HA SER 555 -8.692 -15.615 5.851 351 HB2 SER 555 HB2 SER 555 -7.372 -15.829 7.954 352 HB3 SER 555 HB3 SER 555 -6.411 -16.127 6.505 353 HG SER 555 HG SER 555 -5.164 -14.563 7.110 354 H THR 556 HN THR 556 -7.681 -12.334 6.663 355 HA THR 556 HA THR 556 -9.984 -12.070 8.455 356 HB THR 556 HB THR 556 -8.969 -9.902 9.107 357 HG1 THR 556 HG1 THR 556 -6.905 -9.392 8.324 358 HG21 THR 556 HG21 THR 556 -8.446 -11.915 10.386 359 HG22 THR 556 HG22 THR 556 -7.054 -10.834 10.323 360 HG23 THR 556 HG23 THR 556 -7.105 -12.269 9.298 361 H ASN 557 HN ASN 557 -9.477 -11.910 5.331 362 HA ASN 557 HA ASN 557 -10.440 -10.932 3.525 363 HB2 ASN 557 HB2 ASN 557 -12.465 -11.528 5.035 364 HB3 ASN 557 HB3 ASN 557 -12.535 -9.800 5.359 365 HD21 ASN 557 HD21 ASN 557 -13.378 -8.483 3.883 366 HD22 ASN 557 HD22 ASN 557 -14.008 -8.973 2.346 367 H GLN 558 HN GLN 558 -8.381 -9.449 4.599 368 HA GLN 558 HA GLN 558 -9.265 -6.705 4.087 369 HB2 GLN 558 HB2 GLN 558 -7.742 -7.636 6.522 370 HB3 GLN 558 HB3 GLN 558 -7.838 -5.952 6.034 371 HG2 GLN 558 HG2 GLN 558 -10.258 -7.659 6.603 372 HG3 GLN 558 HG3 GLN 558 -9.450 -6.676 7.828 373 HE21 GLN 558 HE21 GLN 558 -8.869 -4.458 6.061 374 HE22 GLN 558 HE22 GLN 558 -10.371 -3.676 5.735 375 H ALA 559 HN ALA 559 -7.514 -5.266 3.497 376 HA ALA 559 HA ALA 559 -5.107 -6.696 2.586 377 HB1 ALA 559 HB1 ALA 559 -5.186 -5.442 0.484 378 HB2 ALA 559 HB2 ALA 559 -6.713 -4.707 0.980 379 HB3 ALA 559 HB3 ALA 559 -6.621 -6.444 0.695 380 H PHE 560 HN PHE 560 -3.211 -5.575 2.634 381 HA PHE 560 HA PHE 560 -3.303 -2.832 3.692 382 HB2 PHE 560 HB2 PHE 560 -1.293 -5.001 4.342 383 HB3 PHE 560 HB1 PHE 560 -1.204 -3.335 4.900 384 HD1 PHE 560 HD1 PHE 560 -2.739 -6.581 5.379 385 HD2 PHE 560 HD2 PHE 560 -2.839 -2.487 6.532 386 HE1 PHE 560 HE1 PHE 560 -4.095 -7.172 7.344 387 HE2 PHE 560 HE2 PHE 560 -4.193 -3.071 8.501 388 HZ PHE 560 HZ PHE 560 -4.823 -5.415 8.909 389 H LEU 561 HN LEU 561 -1.990 -1.359 2.735 390 HA LEU 561 HA LEU 561 -0.359 -2.289 0.461 391 HB2 LEU 561 HB2 LEU 561 -2.680 -1.293 -0.032 392 HB3 LEU 561 HB1 LEU 561 -1.991 0.235 0.468 393 HG LEU 561 HG LEU 561 -0.319 0.053 -1.345 394 HD11 LEU 561 HD11 LEU 561 -0.228 -2.370 -1.531 395 HD12 LEU 561 HD12 LEU 561 -0.647 -1.646 -3.084 396 HD13 LEU 561 HD13 LEU 561 -1.897 -2.405 -2.098 397 HD21 LEU 561 HD21 LEU 561 -3.193 -0.207 -2.228 398 HD22 LEU 561 HD22 LEU 561 -1.878 0.484 -3.180 399 HD23 LEU 561 HD23 LEU 561 -2.404 1.277 -1.696 400 H GLU 562 HN GLU 562 1.648 -1.361 0.304 401 HA GLU 562 HA GLU 562 2.375 0.539 2.426 402 HB2 GLU 562 HB2 GLU 562 3.639 -1.663 2.133 403 HB3 GLU 562 HB3 GLU 562 4.279 -0.968 0.647 404 HG2 GLU 562 HG2 GLU 562 5.190 0.913 1.972 405 HG3 GLU 562 HG3 GLU 562 4.649 0.099 3.440 406 H MET 563 HN MET 563 3.280 2.488 1.994 407 HA MET 563 HA MET 563 3.328 3.260 -0.835 408 HB2 MET 563 HB2 MET 563 2.675 4.854 1.632 409 HB3 MET 563 HB3 MET 563 3.017 5.608 0.081 410 HG2 MET 563 HG2 MET 563 0.662 5.445 0.315 411 HG3 MET 563 HG3 MET 563 1.167 4.282 -0.906 412 HE1 MET 563 HE1 MET 563 -1.682 2.158 0.457 413 HE2 MET 563 HE2 MET 563 -0.756 2.644 -0.962 414 HE3 MET 563 HE3 MET 563 -1.650 3.850 -0.035 415 H ALA 564 HN ALA 564 4.911 4.797 -1.518 416 HA ALA 564 HA ALA 564 7.507 4.100 -0.654 417 HB1 ALA 564 HB1 ALA 564 8.285 5.763 -2.264 418 HB2 ALA 564 HB2 ALA 564 6.643 6.388 -2.416 419 HB3 ALA 564 HB3 ALA 564 7.016 4.750 -2.954 420 H TYR 565 HN TYR 565 5.578 7.023 -0.218 421 HA TYR 565 HA TYR 565 7.351 7.785 1.987 422 HB2 TYR 565 HB2 TYR 565 6.241 9.731 -0.047 423 HB3 TYR 565 HB3 TYR 565 7.307 10.115 1.301 424 HD1 TYR 565 HD1 TYR 565 7.111 9.133 -2.131 425 HD2 TYR 565 HD2 TYR 565 9.656 9.122 1.275 426 HE1 TYR 565 HE1 TYR 565 9.050 8.754 -3.592 427 HE2 TYR 565 HE2 TYR 565 11.604 8.745 -0.175 428 HH TYR 565 HH TYR 565 11.414 8.994 -3.612 429 H THR 566 HN THR 566 6.310 9.118 3.583 430 HA THR 566 HA THR 566 3.731 8.318 4.250 431 HB THR 566 HB THR 566 5.261 9.208 5.928 432 HG1 THR 566 HG1 THR 566 3.692 10.123 7.111 433 HG21 THR 566 HG21 THR 566 6.327 10.988 4.679 434 HG22 THR 566 HG22 THR 566 5.609 11.642 6.151 435 HG23 THR 566 HG23 THR 566 4.809 11.879 4.597 436 H GLU 567 HN GLU 567 4.829 11.093 2.421 437 HA GLU 567 HA GLU 567 2.400 12.481 2.227 438 HB2 GLU 567 HB2 GLU 567 3.378 13.544 0.230 439 HB3 GLU 567 HB3 GLU 567 4.496 13.517 1.583 440 HG2 GLU 567 HG2 GLU 567 5.538 11.483 0.561 441 HG3 GLU 567 HG3 GLU 567 4.530 11.766 -0.857 442 H ALA 568 HN ALA 568 3.642 9.727 0.463 443 HA ALA 568 HA ALA 568 1.735 9.829 -1.640 444 HB1 ALA 568 HB1 ALA 568 3.310 7.495 -0.543 445 HB2 ALA 568 HB2 ALA 568 3.806 8.561 -1.857 446 HB3 ALA 568 HB3 ALA 568 2.416 7.496 -2.063 447 H ALA 569 HN ALA 569 1.903 8.090 1.424 448 HA ALA 569 HA ALA 569 -0.538 6.686 1.079 449 HB1 ALA 569 HB1 ALA 569 0.898 7.291 3.654 450 HB2 ALA 569 HB2 ALA 569 1.318 5.974 2.563 451 HB3 ALA 569 HB3 ALA 569 -0.257 5.992 3.355 452 H GLN 570 HN GLN 570 0.314 9.630 2.885 453 HA GLN 570 HA GLN 570 -2.263 9.881 4.050 454 HB2 GLN 570 HB2 GLN 570 -1.513 11.961 4.932 455 HB3 GLN 570 HB3 GLN 570 -0.156 10.847 4.980 456 HG2 GLN 570 HG2 GLN 570 0.516 11.916 2.739 457 HG3 GLN 570 HG3 GLN 570 -0.598 13.199 3.200 458 HE21 GLN 570 HE21 GLN 570 1.384 11.337 5.411 459 HE22 GLN 570 HE22 GLN 570 2.398 12.640 5.901 460 H ALA 571 HN ALA 571 -0.746 11.342 1.202 461 HA ALA 571 HA ALA 571 -2.755 13.228 0.651 462 HB1 ALA 571 HB1 ALA 571 -0.843 11.870 -1.250 463 HB2 ALA 571 HB2 ALA 571 -0.562 13.375 -0.370 464 HB3 ALA 571 HB3 ALA 571 -1.806 13.304 -1.617 465 H MET 572 HN MET 572 -2.295 9.906 -0.505 466 HA MET 572 HA MET 572 -4.517 9.943 -2.248 467 HB2 MET 572 HB2 MET 572 -4.211 7.598 -2.498 468 HB3 MET 572 HB3 MET 572 -2.607 8.289 -2.320 469 HG2 MET 572 HG2 MET 572 -2.451 7.531 -0.063 470 HG3 MET 572 HG3 MET 572 -4.139 7.028 -0.062 471 HE1 MET 572 HE1 MET 572 -0.729 4.936 -2.333 472 HE2 MET 572 HE2 MET 572 -0.550 6.359 -1.308 473 HE3 MET 572 HE3 MET 572 -1.369 6.490 -2.863 474 H VAL 573 HN VAL 573 -4.108 8.875 1.098 475 HA VAL 573 HA VAL 573 -6.699 7.783 1.329 476 HB VAL 573 HB VAL 573 -4.703 8.598 3.431 477 HG11 VAL 573 HG11 VAL 573 -6.800 8.759 4.516 478 HG12 VAL 573 HG12 VAL 573 -6.170 7.161 4.923 479 HG13 VAL 573 HG13 VAL 573 -7.415 7.332 3.688 480 HG21 VAL 573 HG21 VAL 573 -4.465 6.154 3.657 481 HG22 VAL 573 HG22 VAL 573 -4.047 6.721 2.038 482 HG23 VAL 573 HG23 VAL 573 -5.604 5.938 2.327 483 H GLN 574 HN GLN 574 -5.394 10.995 2.051 484 HA GLN 574 HA GLN 574 -7.655 12.027 3.342 485 HB2 GLN 574 HB2 GLN 574 -5.587 13.332 1.576 486 HB3 GLN 574 HB3 GLN 574 -6.890 14.250 2.318 487 HG2 GLN 574 HG2 GLN 574 -4.856 12.620 3.819 488 HG3 GLN 574 HG3 GLN 574 -4.786 14.365 3.580 489 HE21 GLN 574 HE21 GLN 574 -6.372 11.759 5.231 490 HE22 GLN 574 HE22 GLN 574 -7.229 12.734 6.370 491 H TYR 575 HN TYR 575 -6.887 11.668 -0.072 492 HA TYR 575 HA TYR 575 -9.326 12.759 -1.031 493 HB2 TYR 575 HB2 TYR 575 -7.314 12.509 -2.447 494 HB3 TYR 575 HB3 TYR 575 -7.491 10.759 -2.358 495 HD1 TYR 575 HD1 TYR 575 -9.019 13.862 -3.654 496 HD2 TYR 575 HD2 TYR 575 -9.052 9.612 -3.737 497 HE1 TYR 575 HE1 TYR 575 -10.491 13.916 -5.623 498 HE2 TYR 575 HE2 TYR 575 -10.522 9.653 -5.704 499 HH TYR 575 HH TYR 575 -12.068 11.106 -6.811 500 H TYR 576 HN TYR 576 -8.284 9.413 -0.357 501 HA TYR 576 HA TYR 576 -10.699 8.321 -1.412 502 HB2 TYR 576 HB2 TYR 576 -8.613 6.991 0.312 503 HB3 TYR 576 HB3 TYR 576 -9.894 6.167 -0.571 504 HD1 TYR 576 HD1 TYR 576 -6.724 6.046 -0.709 505 HD2 TYR 576 HD2 TYR 576 -9.755 7.796 -3.121 506 HE1 TYR 576 HE1 TYR 576 -5.245 5.903 -2.658 507 HE2 TYR 576 HE2 TYR 576 -8.280 7.663 -5.082 508 HH TYR 576 HH TYR 576 -5.518 5.798 -5.171 509 H GLN 577 HN GLN 577 -9.795 9.365 1.802 510 HA GLN 577 HA GLN 577 -11.903 7.984 3.115 511 HB2 GLN 577 HB2 GLN 577 -10.263 10.396 3.859 512 HB3 GLN 577 HB3 GLN 577 -11.607 9.863 4.862 513 HG2 GLN 577 HG2 GLN 577 -10.499 7.654 5.055 514 HG3 GLN 577 HG3 GLN 577 -9.132 8.308 4.156 515 HE21 GLN 577 HE21 GLN 577 -10.958 10.209 6.440 516 HE22 GLN 577 HE22 GLN 577 -9.724 10.318 7.637 517 H GLU 578 HN GLU 578 -11.731 10.912 1.273 518 HA GLU 578 HA GLU 578 -14.457 11.653 2.038 519 HB2 GLU 578 HB2 GLU 578 -12.377 13.125 0.415 520 HB3 GLU 578 HB3 GLU 578 -13.988 13.740 0.765 521 HG2 GLU 578 HG2 GLU 578 -11.853 13.100 2.789 522 HG3 GLU 578 HG3 GLU 578 -12.342 14.709 2.260 523 H LYS 579 HN LYS 579 -12.502 10.789 -0.757 524 HA LYS 579 HA LYS 579 -14.974 10.139 -2.229 525 HB2 LYS 579 HB2 LYS 579 -12.431 11.300 -3.395 526 HB3 LYS 579 HB3 LYS 579 -13.860 10.836 -4.306 527 HG2 LYS 579 HG2 LYS 579 -15.157 12.564 -3.208 528 HG3 LYS 579 HG3 LYS 579 -13.770 12.998 -2.212 529 HD2 LYS 579 HD2 LYS 579 -13.953 14.575 -4.011 530 HD3 LYS 579 HD3 LYS 579 -12.529 13.574 -4.282 531 HE2 LYS 579 HE2 LYS 579 -13.745 13.907 -6.355 532 HE3 LYS 579 HE3 LYS 579 -13.800 12.213 -5.876 533 HZ1 LYS 579 HZ1 LYS 579 -15.973 14.188 -5.429 534 HZ2 LYS 579 HZ2 LYS 579 -16.029 12.545 -5.036 535 HZ3 LYS 579 HZ3 LYS 579 -15.950 13.023 -6.656 536 HA PRO 580 HA PRO 580 -12.240 6.481 -1.545 537 HB2 PRO 580 HB2 PRO 580 -14.813 5.069 -1.347 538 HB3 PRO 580 HB3 PRO 580 -13.481 5.162 -0.184 539 HG2 PRO 580 HG2 PRO 580 -15.800 6.429 0.269 540 HG3 PRO 580 HG3 PRO 580 -14.245 7.159 0.733 541 HD2 PRO 580 HD2 PRO 580 -15.930 7.697 -1.696 542 HD3 PRO 580 HD3 PRO 580 -15.159 8.850 -0.585 543 H ALA 581 HN ALA 581 -11.967 4.457 -2.656 544 HA ALA 581 HA ALA 581 -12.601 4.774 -5.488 545 HB1 ALA 581 HB1 ALA 581 -10.688 2.816 -4.225 546 HB2 ALA 581 HB2 ALA 581 -10.246 4.462 -4.683 547 HB3 ALA 581 HB3 ALA 581 -10.765 3.315 -5.916 548 H ILE 582 HN ILE 582 -13.193 2.873 -6.777 549 HA ILE 582 HA ILE 582 -15.155 1.318 -5.232 550 HB ILE 582 HB ILE 582 -15.335 2.433 -8.026 551 HG12 ILE 582 HG12 ILE 582 -16.934 2.967 -5.521 552 HG13 ILE 582 HG13 ILE 582 -15.709 4.029 -6.185 553 HG21 ILE 582 HG21 ILE 582 -17.607 1.489 -8.081 554 HG22 ILE 582 HG22 ILE 582 -17.281 0.658 -6.559 555 HG23 ILE 582 HG23 ILE 582 -16.362 0.242 -8.006 556 HD11 ILE 582 HD11 ILE 582 -18.290 3.276 -7.527 557 HD12 ILE 582 HD12 ILE 582 -17.068 4.375 -8.169 558 HD13 ILE 582 HD13 ILE 582 -17.954 4.797 -6.703 559 H ILE 583 HN ILE 583 -14.999 -0.799 -5.239 560 HA ILE 583 HA ILE 583 -14.073 -2.139 -7.689 561 HB ILE 583 HB ILE 583 -13.669 -3.042 -4.832 562 HG12 ILE 583 HG12 ILE 583 -11.781 -2.420 -7.109 563 HG13 ILE 583 HG13 ILE 583 -11.914 -1.583 -5.567 564 HG21 ILE 583 HG21 ILE 583 -12.779 -5.138 -5.701 565 HG22 ILE 583 HG22 ILE 583 -13.208 -4.649 -7.340 566 HG23 ILE 583 HG23 ILE 583 -14.474 -4.934 -6.144 567 HD11 ILE 583 HD11 ILE 583 -9.928 -2.956 -5.599 568 HD12 ILE 583 HD12 ILE 583 -10.883 -4.380 -6.007 569 HD13 ILE 583 HD13 ILE 583 -11.077 -3.612 -4.433 570 H ASN 584 HN ASN 584 -15.554 -3.381 -8.632 571 HA ASN 584 HA ASN 584 -17.487 -4.463 -9.088 572 HB2 ASN 584 HB2 ASN 584 -17.243 -5.194 -6.174 573 HB3 ASN 584 HB3 ASN 584 -18.520 -5.820 -7.208 574 HD21 ASN 584 HD21 ASN 584 -17.800 -7.914 -6.903 575 HD22 ASN 584 HD22 ASN 584 -16.373 -8.524 -7.671 576 H GLY 585 HN GLY 585 -17.617 -1.675 -8.397 577 HA2 GLY 585 HA2 GLY 585 -19.415 -0.209 -8.512 578 HA3 GLY 585 HA1 GLY 585 -20.493 -1.546 -8.154 579 H GLU 586 HN GLU 586 -18.247 -1.751 -5.795 580 HA GLU 586 HA GLU 586 -19.856 -0.076 -4.007 581 HB2 GLU 586 HB2 GLU 586 -20.070 -2.052 -2.948 582 HB3 GLU 586 HB3 GLU 586 -18.710 -2.760 -3.803 583 HG2 GLU 586 HG2 GLU 586 -17.165 -1.861 -2.263 584 HG3 GLU 586 HG3 GLU 586 -18.401 -0.865 -1.497 585 H LYS 587 HN LYS 587 -18.907 1.417 -2.723 586 HA LYS 587 HA LYS 587 -16.252 2.251 -3.496 587 HB2 LYS 587 HB2 LYS 587 -18.188 3.480 -1.526 588 HB3 LYS 587 HB3 LYS 587 -16.708 4.226 -2.113 589 HG2 LYS 587 HG2 LYS 587 -17.600 4.302 -4.362 590 HG3 LYS 587 HG3 LYS 587 -19.062 3.469 -3.832 591 HD2 LYS 587 HD2 LYS 587 -19.546 5.807 -3.991 592 HD3 LYS 587 HD3 LYS 587 -19.499 5.371 -2.286 593 HE2 LYS 587 HE2 LYS 587 -18.361 7.481 -2.651 594 HE3 LYS 587 HE3 LYS 587 -17.220 6.246 -2.126 595 HZ1 LYS 587 HZ1 LYS 587 -16.416 7.655 -3.978 596 HZ2 LYS 587 HZ2 LYS 587 -17.629 7.016 -4.963 597 HZ3 LYS 587 HZ3 LYS 587 -16.422 6.009 -4.346 598 H LEU 588 HN LEU 588 -14.517 1.518 -2.547 599 HA LEU 588 HA LEU 588 -14.613 0.242 0.059 600 HB2 LEU 588 HB2 LEU 588 -12.187 0.834 -1.624 601 HB3 LEU 588 HB1 LEU 588 -12.332 -0.346 -0.337 602 HG LEU 588 HG LEU 588 -13.595 -0.506 -3.069 603 HD11 LEU 588 HD11 LEU 588 -11.388 -2.038 -1.711 604 HD12 LEU 588 HD12 LEU 588 -11.219 -0.916 -3.060 605 HD13 LEU 588 HD13 LEU 588 -12.083 -2.438 -3.281 606 HD21 LEU 588 HD21 LEU 588 -15.079 -1.484 -1.393 607 HD22 LEU 588 HD22 LEU 588 -13.741 -2.440 -0.755 608 HD23 LEU 588 HD23 LEU 588 -14.338 -2.740 -2.388 609 H LEU 589 HN LEU 589 -13.903 1.166 1.925 610 HA LEU 589 HA LEU 589 -12.997 3.906 1.810 611 HB2 LEU 589 HB2 LEU 589 -14.520 3.160 3.608 612 HB3 LEU 589 HB1 LEU 589 -13.286 2.058 4.186 613 HG LEU 589 HG LEU 589 -11.829 3.964 4.727 614 HD11 LEU 589 HD11 LEU 589 -12.715 6.243 4.653 615 HD12 LEU 589 HD12 LEU 589 -14.170 5.651 3.851 616 HD13 LEU 589 HD13 LEU 589 -12.608 5.536 3.040 617 HD21 LEU 589 HD21 LEU 589 -14.600 4.154 5.897 618 HD22 LEU 589 HD22 LEU 589 -13.137 4.835 6.608 619 HD23 LEU 589 HD23 LEU 589 -13.305 3.088 6.441 620 H ILE 590 HN ILE 590 -10.995 4.237 1.195 621 HA ILE 590 HA ILE 590 -8.868 2.399 2.025 622 HB ILE 590 HB ILE 590 -8.701 4.795 0.177 623 HG12 ILE 590 HG12 ILE 590 -8.976 1.873 -0.533 624 HG13 ILE 590 HG13 ILE 590 -10.180 3.123 -0.789 625 HG21 ILE 590 HG21 ILE 590 -6.585 3.777 -0.558 626 HG22 ILE 590 HG22 ILE 590 -6.779 2.533 0.678 627 HG23 ILE 590 HG23 ILE 590 -6.570 4.220 1.149 628 HD11 ILE 590 HD11 ILE 590 -8.669 4.254 -2.359 629 HD12 ILE 590 HD12 ILE 590 -9.038 2.604 -2.861 630 HD13 ILE 590 HD13 ILE 590 -7.481 2.972 -2.118 631 H ARG 591 HN ARG 591 -7.825 2.896 3.866 632 HA ARG 591 HA ARG 591 -7.637 5.705 4.666 633 HB2 ARG 591 HB2 ARG 591 -8.613 5.263 6.865 634 HB3 ARG 591 HB3 ARG 591 -9.762 4.954 5.571 635 HG2 ARG 591 HG2 ARG 591 -9.270 2.547 5.750 636 HG3 ARG 591 HG3 ARG 591 -8.201 2.895 7.111 637 HD2 ARG 591 HD2 ARG 591 -11.163 3.438 6.967 638 HD3 ARG 591 HD3 ARG 591 -10.373 2.177 7.911 639 HE ARG 591 HE ARG 591 -9.419 4.796 8.562 640 HH11 ARG 591 HH11 ARG 591 -11.972 2.475 9.157 641 HH12 ARG 591 HH12 ARG 591 -12.413 3.161 10.687 642 HH21 ARG 591 HH21 ARG 591 -9.979 5.697 10.574 643 HH22 ARG 591 HH22 ARG 591 -11.265 4.992 11.502 644 H MET 592 HN MET 592 -6.267 6.116 6.463 645 HA MET 592 HA MET 592 -3.804 4.754 6.283 646 HB2 MET 592 HB2 MET 592 -4.744 6.626 8.469 647 HB3 MET 592 HB3 MET 592 -3.079 6.240 8.075 648 HG2 MET 592 HG2 MET 592 -4.555 7.335 5.812 649 HG3 MET 592 HG3 MET 592 -4.497 8.417 7.197 650 HE1 MET 592 HE1 MET 592 -2.337 6.452 4.525 651 HE2 MET 592 HE2 MET 592 -1.844 5.738 6.060 652 HE3 MET 592 HE3 MET 592 -0.711 6.733 5.144 653 H SER 593 HN SER 593 -3.153 2.937 7.283 654 HA SER 593 HA SER 593 -4.774 1.833 9.433 655 HB2 SER 593 HB2 SER 593 -4.033 0.372 7.564 656 HB3 SER 593 HB3 SER 593 -2.358 0.654 8.034 657 HG SER 593 HG SER 593 -3.275 -1.314 8.871 658 H THR 594 HN THR 594 -4.171 1.753 11.519 659 HA THR 594 HA THR 594 -1.618 2.975 12.255 660 HB THR 594 HB THR 594 -2.628 2.824 14.601 661 HG1 THR 594 HG1 THR 594 -5.182 2.792 13.716 662 HG21 THR 594 HG21 THR 594 -4.069 4.469 12.514 663 HG22 THR 594 HG22 THR 594 -2.568 4.913 13.327 664 HG23 THR 594 HG23 THR 594 -4.064 4.785 14.249 665 H ARG 595 HN ARG 595 -2.793 0.003 11.569 666 HA ARG 595 HA ARG 595 -1.630 -1.482 13.759 667 HB2 ARG 595 HB2 ARG 595 -2.911 -2.421 11.185 668 HB3 ARG 595 HB3 ARG 595 -2.443 -3.462 12.524 669 HG2 ARG 595 HG2 ARG 595 -4.038 -2.381 13.975 670 HG3 ARG 595 HG3 ARG 595 -4.455 -1.231 12.707 671 HD2 ARG 595 HD2 ARG 595 -5.276 -3.091 11.321 672 HD3 ARG 595 HD3 ARG 595 -4.894 -4.213 12.627 673 HE ARG 595 HE ARG 595 -6.569 -2.161 13.592 674 HH11 ARG 595 HH11 ARG 595 -6.695 -4.986 11.521 675 HH12 ARG 595 HH12 ARG 595 -8.360 -5.311 11.866 676 HH21 ARG 595 HH21 ARG 595 -8.749 -2.595 14.046 677 HH22 ARG 595 HH22 ARG 595 -9.534 -3.949 13.300 678 H TYR 596 HN TYR 596 -0.706 -0.481 10.567 679 HA TYR 596 HA TYR 596 1.851 -1.872 10.954 680 HB2 TYR 596 HB2 TYR 596 0.286 -1.671 8.380 681 HB3 TYR 596 HB3 TYR 596 1.984 -2.115 8.441 682 HD1 TYR 596 HD1 TYR 596 2.608 -4.330 8.734 683 HD2 TYR 596 HD2 TYR 596 -1.380 -3.174 9.657 684 HE1 TYR 596 HE1 TYR 596 1.994 -6.692 9.012 685 HE2 TYR 596 HE2 TYR 596 -2.001 -5.536 9.946 686 HH TYR 596 HH TYR 596 0.285 -8.018 10.198 687 H LYS 597 HN LYS 597 3.575 -0.627 10.796 688 HA LYS 597 HA LYS 597 3.341 2.095 9.780 689 HB2 LYS 597 HB2 LYS 597 4.511 1.746 11.905 690 HB3 LYS 597 HB3 LYS 597 5.633 0.644 11.122 691 HG2 LYS 597 HG2 LYS 597 6.603 2.414 9.851 692 HG3 LYS 597 HG3 LYS 597 5.352 3.545 10.372 693 HD2 LYS 597 HD2 LYS 597 7.351 3.975 11.630 694 HD3 LYS 597 HD3 LYS 597 6.148 3.272 12.705 695 HE2 LYS 597 HE2 LYS 597 8.184 2.209 13.231 696 HE3 LYS 597 HE3 LYS 597 7.262 1.042 12.288 697 HZ1 LYS 597 HZ1 LYS 597 9.656 1.258 11.682 698 HZ2 LYS 597 HZ2 LYS 597 9.324 2.810 11.103 699 HZ3 LYS 597 HZ3 LYS 597 8.589 1.464 10.387 700 H GLU 598 HN GLU 598 4.639 -0.992 8.990 701 HA GLU 598 HA GLU 598 5.259 -0.201 6.295 702 HB2 GLU 598 HB2 GLU 598 7.614 -1.103 6.463 703 HB3 GLU 598 HB3 GLU 598 7.351 0.436 7.273 704 HG2 GLU 598 HG2 GLU 598 7.061 -0.839 9.408 705 HG3 GLU 598 HG3 GLU 598 7.576 -2.283 8.538 706 H LEU 599 HN LEU 599 5.327 -2.000 4.900 707 HA LEU 599 HA LEU 599 4.262 -4.434 6.112 708 HB2 LEU 599 HB2 LEU 599 4.452 -3.540 3.242 709 HB3 LEU 599 HB1 LEU 599 3.869 -5.118 3.735 710 HG LEU 599 HG LEU 599 2.592 -2.473 4.446 711 HD11 LEU 599 HD11 LEU 599 1.749 -4.667 2.564 712 HD12 LEU 599 HD12 LEU 599 2.280 -3.047 2.110 713 HD13 LEU 599 HD13 LEU 599 0.775 -3.267 3.006 714 HD21 LEU 599 HD21 LEU 599 2.253 -4.101 6.212 715 HD22 LEU 599 HD22 LEU 599 1.739 -5.301 5.026 716 HD23 LEU 599 HD23 LEU 599 0.761 -3.865 5.303 717 H GLN 600 HN GLN 600 5.727 -5.806 6.784 718 HA GLN 600 HA GLN 600 8.213 -6.136 5.306 719 HB2 GLN 600 HB2 GLN 600 7.288 -7.260 7.954 720 HB3 GLN 600 HB3 GLN 600 8.837 -7.638 7.213 721 HG2 GLN 600 HG2 GLN 600 7.894 -4.929 8.124 722 HG3 GLN 600 HG3 GLN 600 9.124 -5.936 8.888 723 HE21 GLN 600 HE21 GLN 600 8.384 -3.825 6.240 724 HE22 GLN 600 HE22 GLN 600 10.002 -3.621 5.684 725 H LEU 601 HN LEU 601 7.596 -7.179 3.487 726 HA LEU 601 HA LEU 601 5.823 -9.288 3.226 727 HB2 LEU 601 HB2 LEU 601 8.347 -8.837 1.633 728 HB3 LEU 601 HB1 LEU 601 6.974 -9.804 1.135 729 HG LEU 601 HG LEU 601 6.996 -6.811 1.523 730 HD11 LEU 601 HD11 LEU 601 6.626 -6.754 -0.894 731 HD12 LEU 601 HD12 LEU 601 6.768 -8.511 -0.955 732 HD13 LEU 601 HD13 LEU 601 8.155 -7.529 -0.485 733 HD21 LEU 601 HD21 LEU 601 4.846 -7.732 2.165 734 HD22 LEU 601 HD22 LEU 601 4.768 -8.649 0.661 735 HD23 LEU 601 HD23 LEU 601 4.714 -6.887 0.623 736 H LYS 602 HN LYS 602 5.873 -11.383 3.669 737 HA LYS 602 HA LYS 602 8.030 -12.405 5.267 738 HB2 LYS 602 HB2 LYS 602 5.515 -13.759 4.265 739 HB3 LYS 602 HB3 LYS 602 6.611 -14.409 5.478 740 HG2 LYS 602 HG2 LYS 602 5.028 -11.861 5.748 741 HG3 LYS 602 HG3 LYS 602 4.604 -13.413 6.469 742 HD2 LYS 602 HD2 LYS 602 6.600 -13.383 7.822 743 HD3 LYS 602 HD3 LYS 602 7.169 -11.920 7.017 744 HE2 LYS 602 HE2 LYS 602 6.209 -11.418 9.205 745 HE3 LYS 602 HE3 LYS 602 5.276 -10.677 7.906 746 HZ1 LYS 602 HZ1 LYS 602 4.573 -13.159 9.383 747 HZ2 LYS 602 HZ2 LYS 602 3.701 -12.531 8.078 748 HZ3 LYS 602 HZ3 LYS 602 3.809 -11.654 9.517 749 H LYS 603 HN LYS 603 9.568 -12.117 3.495 750 HA LYS 603 HA LYS 603 9.534 -14.332 1.550 751 HB2 LYS 603 HB2 LYS 603 11.161 -11.780 1.459 752 HB3 LYS 603 HB3 LYS 603 11.021 -12.982 0.186 753 HG2 LYS 603 HG2 LYS 603 8.736 -11.306 1.195 754 HG3 LYS 603 HG3 LYS 603 9.720 -10.912 -0.214 755 HD2 LYS 603 HD2 LYS 603 9.034 -13.032 -1.258 756 HD3 LYS 603 HD3 LYS 603 8.017 -13.378 0.143 757 HE2 LYS 603 HE2 LYS 603 6.680 -11.413 -0.301 758 HE3 LYS 603 HE3 LYS 603 7.739 -10.956 -1.631 759 HZ1 LYS 603 HZ1 LYS 603 5.753 -12.000 -2.457 760 HZ2 LYS 603 HZ2 LYS 603 6.027 -13.377 -1.513 761 HZ3 LYS 603 HZ3 LYS 603 7.083 -12.994 -2.777 762 HA PRO 604 HA PRO 604 13.118 -15.933 3.705 763 HB2 PRO 604 HB2 PRO 604 14.094 -17.534 1.747 764 HB3 PRO 604 HB3 PRO 604 12.661 -17.954 2.691 765 HG2 PRO 604 HG2 PRO 604 12.840 -16.770 -0.050 766 HG3 PRO 604 HG3 PRO 604 11.768 -18.049 0.549 767 HD2 PRO 604 HD2 PRO 604 10.965 -15.474 0.246 768 HD3 PRO 604 HD3 PRO 604 10.300 -16.551 1.490 769 H GLY 605 HN GLY 605 13.117 -14.082 0.860 770 HA2 GLY 605 HA2 GLY 605 15.646 -12.892 1.538 771 HA3 GLY 605 HA1 GLY 605 15.661 -13.763 0.007 772 H LYS 606 HN LYS 606 15.907 -10.863 0.561 773 HA LYS 606 HA LYS 606 13.482 -9.872 -0.757 774 HB2 LYS 606 HB2 LYS 606 15.691 -8.376 0.660 775 HB3 LYS 606 HB3 LYS 606 14.332 -7.610 -0.146 776 HG2 LYS 606 HG2 LYS 606 14.186 -9.449 2.233 777 HG3 LYS 606 HG3 LYS 606 13.971 -7.699 2.243 778 HD2 LYS 606 HD2 LYS 606 12.048 -8.056 0.636 779 HD3 LYS 606 HD3 LYS 606 12.192 -9.779 0.982 780 HE2 LYS 606 HE2 LYS 606 11.568 -7.575 2.943 781 HE3 LYS 606 HE3 LYS 606 10.473 -8.834 2.380 782 HZ1 LYS 606 HZ1 LYS 606 11.929 -10.476 3.442 783 HZ2 LYS 606 HZ2 LYS 606 11.303 -9.373 4.556 784 HZ3 LYS 606 HZ3 LYS 606 12.903 -9.231 4.034 785 H ASN 607 HN ASN 607 16.989 -9.229 -0.895 786 HA ASN 607 HA ASN 607 17.059 -9.507 -3.744 787 HB2 ASN 607 HB2 ASN 607 16.041 -7.230 -3.463 788 HB3 ASN 607 HB3 ASN 607 17.500 -6.731 -2.614 789 HD21 ASN 607 HD21 ASN 607 18.033 -5.175 -4.105 790 HD22 ASN 607 HD22 ASN 607 18.592 -5.556 -5.696 791 H VAL 608 HN VAL 608 19.267 -9.113 -4.581 792 HA VAL 608 HA VAL 608 21.166 -10.529 -3.193 793 HB VAL 608 HB VAL 608 21.776 -8.365 -5.210 794 HG11 VAL 608 HG11 VAL 608 23.744 -9.729 -5.727 795 HG12 VAL 608 HG12 VAL 608 23.302 -10.850 -4.439 796 HG13 VAL 608 HG13 VAL 608 23.749 -9.190 -4.047 797 HG21 VAL 608 HG21 VAL 608 20.072 -9.890 -6.060 798 HG22 VAL 608 HG22 VAL 608 21.099 -11.268 -5.663 799 HG23 VAL 608 HG23 VAL 608 21.604 -10.119 -6.901 800 H ALA 609 HN ALA 609 21.449 -7.013 -3.742 801 HA ALA 609 HA ALA 609 22.986 -6.829 -1.245 802 HB1 ALA 609 HB1 ALA 609 22.746 -4.823 -3.486 803 HB2 ALA 609 HB2 ALA 609 24.069 -5.969 -3.284 804 HB3 ALA 609 HB3 ALA 609 23.809 -4.703 -2.085 805 H ALA 610 HN ALA 610 20.304 -7.209 -0.944 806 HA ALA 610 HA ALA 610 18.415 -6.425 0.031 807 HB1 ALA 610 HB1 ALA 610 20.012 -5.532 1.673 808 HB2 ALA 610 HB2 ALA 610 18.584 -4.511 1.503 809 HB3 ALA 610 HB3 ALA 610 20.105 -4.033 0.748 810 H ILE 611 HN ILE 611 16.988 -4.263 0.109 811 HA ILE 611 HA ILE 611 16.871 -3.363 -2.683 812 HB ILE 611 HB ILE 611 14.682 -3.218 -0.591 813 HG12 ILE 611 HG12 ILE 611 14.974 -5.150 -2.908 814 HG13 ILE 611 HG13 ILE 611 15.324 -5.558 -1.232 815 HG21 ILE 611 HG21 ILE 611 14.644 -2.800 -3.584 816 HG22 ILE 611 HG22 ILE 611 14.485 -1.542 -2.359 817 HG23 ILE 611 HG23 ILE 611 13.232 -2.772 -2.527 818 HD11 ILE 611 HD11 ILE 611 13.134 -6.360 -1.903 819 HD12 ILE 611 HD12 ILE 611 12.648 -4.718 -2.322 820 HD13 ILE 611 HD13 ILE 611 12.996 -5.133 -0.643 821 H ILE 612 HN ILE 612 18.624 -1.891 -2.189 822 HA ILE 612 HA ILE 612 17.765 0.497 -0.683 823 HB ILE 612 HB ILE 612 20.557 -0.594 -1.058 824 HG12 ILE 612 HG12 ILE 612 18.856 -0.437 1.442 825 HG13 ILE 612 HG13 ILE 612 19.145 -1.903 0.512 826 HG21 ILE 612 HG21 ILE 612 21.238 1.172 0.506 827 HG22 ILE 612 HG22 ILE 612 19.588 1.791 0.520 828 HG23 ILE 612 HG23 ILE 612 20.536 1.841 -0.967 829 HD11 ILE 612 HD11 ILE 612 21.234 -0.283 1.947 830 HD12 ILE 612 HD12 ILE 612 21.525 -1.752 1.017 831 HD13 ILE 612 HD13 ILE 612 20.550 -1.816 2.485 832 H GLN 613 HN GLN 613 16.961 1.638 -2.362 833 HA GLN 613 HA GLN 613 18.195 1.953 -4.884 834 HB2 GLN 613 HB2 GLN 613 16.276 3.801 -3.446 835 HB3 GLN 613 HB3 GLN 613 16.640 3.837 -5.164 836 HG2 GLN 613 HG2 GLN 613 15.411 1.478 -3.762 837 HG3 GLN 613 HG3 GLN 613 14.483 2.743 -4.564 838 HE21 GLN 613 HE21 GLN 613 16.610 0.027 -5.007 839 HE22 GLN 613 HE22 GLN 613 16.354 -0.149 -6.706 840 H ASP 614 HN ASP 614 17.929 4.239 -2.173 841 HA ASP 614 HA ASP 614 20.661 5.155 -2.690 842 HB2 ASP 614 HB2 ASP 614 18.268 6.976 -2.392 843 HB3 ASP 614 HB3 ASP 614 19.940 7.522 -2.386 844 H ILE 615 HN ILE 615 18.915 7.201 -0.647 845 HA ILE 615 HA ILE 615 19.670 5.617 1.718 846 HB ILE 615 HB ILE 615 19.668 7.694 3.013 847 HG12 ILE 615 HG12 ILE 615 19.788 9.804 1.312 848 HG13 ILE 615 HG13 ILE 615 18.581 8.816 0.502 849 HG21 ILE 615 HG21 ILE 615 21.743 6.950 2.014 850 HG22 ILE 615 HG22 ILE 615 21.675 8.711 2.050 851 HG23 ILE 615 HG23 ILE 615 21.381 7.847 0.540 852 HD11 ILE 615 HD11 ILE 615 18.454 9.794 3.345 853 HD12 ILE 615 HD12 ILE 615 17.245 8.786 2.550 854 HD13 ILE 615 HD13 ILE 615 17.539 10.428 1.977 855 H HIS 616 HN HIS 616 17.152 6.210 -0.183 856 HA HIS 616 HA HIS 616 15.110 6.673 1.816 857 HB2 HIS 616 HB2 HIS 616 14.906 5.998 -1.129 858 HB3 HIS 616 HB3 HIS 616 13.529 6.331 -0.093 859 HD1 HIS 616 HD1 HIS 616 13.011 8.279 -1.835 860 HD2 HIS 616 HD2 HIS 616 16.461 8.763 0.441 861 HE1 HIS 616 HE1 HIS 616 13.654 10.697 -2.076 862 HE2 HIS 616 HE2 HIS 616 15.671 10.992 -0.601 863 H SER 617 HN SER 617 16.238 4.624 2.852 864 HA SER 617 HA SER 617 14.413 2.441 2.551 865 HB2 SER 617 HB2 SER 617 16.016 2.074 0.644 866 HB3 SER 617 HB3 SER 617 17.311 1.921 1.830 867 HG SER 617 HG SER 617 15.915 -0.016 0.960 868 H GLN 618 HN GLN 618 14.795 0.770 4.158 869 HA GLN 618 HA GLN 618 16.357 1.760 6.442 870 HB2 GLN 618 HB2 GLN 618 13.967 -0.091 6.352 871 HB3 GLN 618 HB3 GLN 618 14.909 0.211 7.804 872 HG2 GLN 618 HG2 GLN 618 14.345 2.628 7.587 873 HG3 GLN 618 HG3 GLN 618 13.276 2.205 6.249 874 HE21 GLN 618 HE21 GLN 618 11.350 1.116 6.678 875 HE22 GLN 618 HE22 GLN 618 10.701 0.967 8.280 876 H ARG 619 HN ARG 619 17.247 -0.012 7.854 877 HA ARG 619 HA ARG 619 18.787 -1.644 8.128 878 HB2 ARG 619 HB2 ARG 619 17.052 -3.044 6.093 879 HB3 ARG 619 HB3 ARG 619 18.319 -3.831 7.023 880 HG2 ARG 619 HG2 ARG 619 17.096 -3.186 9.094 881 HG3 ARG 619 HG3 ARG 619 15.790 -2.586 8.070 882 HD2 ARG 619 HD2 ARG 619 15.515 -4.812 7.108 883 HD3 ARG 619 HD3 ARG 619 16.836 -5.413 8.104 884 HE ARG 619 HE ARG 619 14.332 -4.352 9.249 885 HH11 ARG 619 HH11 ARG 619 16.879 -6.754 9.143 886 HH12 ARG 619 HH12 ARG 619 16.240 -7.679 10.463 887 HH21 ARG 619 HH21 ARG 619 13.482 -5.572 10.991 888 HH22 ARG 619 HH22 ARG 619 14.311 -7.001 11.521 889 H GLU 620 HN GLU 620 19.900 0.233 6.767 890 HA GLU 620 HA GLU 620 20.800 -0.519 4.158 891 HB2 GLU 620 HB2 GLU 620 20.569 1.838 4.832 892 HB3 GLU 620 HB3 GLU 620 21.840 1.618 6.025 893 HG2 GLU 620 HG2 GLU 620 23.377 1.009 4.153 894 HG3 GLU 620 HG3 GLU 620 22.099 1.478 3.034 895 H ARG 621 HN ARG 621 22.069 -2.212 3.940 896 HA ARG 621 HA ARG 621 23.805 -3.649 4.103 897 HB2 ARG 621 HB2 ARG 621 25.308 -1.258 5.177 898 HB3 ARG 621 HB3 ARG 621 26.004 -2.684 4.418 899 HG2 ARG 621 HG2 ARG 621 24.812 -2.091 2.327 900 HG3 ARG 621 HG3 ARG 621 24.268 -0.604 3.105 901 HD2 ARG 621 HD2 ARG 621 26.172 -0.027 1.829 902 HD3 ARG 621 HD3 ARG 621 26.700 -0.071 3.511 903 HE ARG 621 HE ARG 621 27.309 -2.541 2.702 904 HH11 ARG 621 HH11 ARG 621 27.916 0.583 1.248 905 HH12 ARG 621 HH12 ARG 621 29.331 0.055 0.397 906 HH21 ARG 621 HH21 ARG 621 29.188 -3.237 1.604 907 HH22 ARG 621 HH22 ARG 621 30.049 -2.128 0.585 Start of MODEL 13 1 H1 GLY 510 HT1 GLY 510 18.410 -3.717 3.754 2 H2 GLY 510 HT2 GLY 510 18.949 -2.124 3.582 3 H3 GLY 510 HT3 GLY 510 18.886 -3.144 2.236 4 HA2 GLY 510 HA1 GLY 510 16.466 -3.270 2.443 5 HA3 GLY 510 HA2 GLY 510 16.569 -2.138 3.785 6 H ALA 511 HN ALA 511 15.642 -0.346 3.029 7 HA ALA 511 HA ALA 511 15.406 1.622 1.935 8 HB1 ALA 511 HB1 ALA 511 17.835 1.827 2.037 9 HB2 ALA 511 HB2 ALA 511 17.199 2.497 0.534 10 HB3 ALA 511 HB3 ALA 511 17.981 0.916 0.534 11 H MET 512 HN MET 512 14.963 -1.263 0.656 12 HA MET 512 HA MET 512 14.390 -0.412 -2.074 13 HB2 MET 512 HB2 MET 512 14.087 -3.109 -0.737 14 HB3 MET 512 HB3 MET 512 13.781 -2.784 -2.440 15 HG2 MET 512 HG2 MET 512 16.417 -2.538 -1.011 16 HG3 MET 512 HG3 MET 512 15.952 -3.792 -2.159 17 HE1 MET 512 HE1 MET 512 18.196 -3.319 -3.457 18 HE2 MET 512 HE2 MET 512 18.632 -2.000 -2.371 19 HE3 MET 512 HE3 MET 512 18.653 -1.749 -4.115 20 H ALA 513 HN ALA 513 12.729 -1.730 0.755 21 HA ALA 513 HA ALA 513 10.173 -0.827 -0.336 22 HB1 ALA 513 HB1 ALA 513 9.185 -1.949 1.600 23 HB2 ALA 513 HB2 ALA 513 10.800 -2.360 2.180 24 HB3 ALA 513 HB3 ALA 513 10.206 -3.038 0.664 25 H GLN 514 HN GLN 514 8.745 0.376 1.207 26 HA GLN 514 HA GLN 514 8.290 2.275 2.357 27 HB2 GLN 514 HB2 GLN 514 11.057 1.972 3.538 28 HB3 GLN 514 HB3 GLN 514 9.815 3.077 4.107 29 HG2 GLN 514 HG2 GLN 514 8.423 1.260 4.800 30 HG3 GLN 514 HG3 GLN 514 9.511 0.086 4.056 31 HE21 GLN 514 HE21 GLN 514 10.656 2.877 5.796 32 HE22 GLN 514 HE22 GLN 514 11.285 2.016 7.154 33 H ARG 515 HN ARG 515 11.609 2.226 1.130 34 HA ARG 515 HA ARG 515 12.679 3.479 -0.419 35 HB2 ARG 515 HB2 ARG 515 10.015 4.849 -0.794 36 HB3 ARG 515 HB3 ARG 515 11.421 5.063 -1.829 37 HG2 ARG 515 HG2 ARG 515 10.503 2.284 -1.419 38 HG3 ARG 515 HG3 ARG 515 9.442 3.341 -2.354 39 HD2 ARG 515 HD2 ARG 515 10.851 2.285 -3.919 40 HD3 ARG 515 HD3 ARG 515 11.456 3.928 -3.755 41 HE ARG 515 HE ARG 515 12.970 2.532 -1.998 42 HH11 ARG 515 HH11 ARG 515 12.149 2.044 -5.353 43 HH12 ARG 515 HH12 ARG 515 13.672 1.321 -5.763 44 HH21 ARG 515 HH21 ARG 515 14.969 1.519 -2.504 45 HH22 ARG 515 HH22 ARG 515 15.256 0.979 -4.132 46 H LYS 516 HN LYS 516 10.416 5.711 1.194 47 HA LYS 516 HA LYS 516 12.580 7.560 1.763 48 HB2 LYS 516 HB2 LYS 516 9.627 7.558 2.383 49 HB3 LYS 516 HB3 LYS 516 10.719 8.777 3.024 50 HG2 LYS 516 HG2 LYS 516 10.160 8.235 0.116 51 HG3 LYS 516 HG3 LYS 516 9.569 9.600 1.064 52 HD2 LYS 516 HD2 LYS 516 12.056 10.100 1.506 53 HD3 LYS 516 HD3 LYS 516 12.367 9.009 0.154 54 HE2 LYS 516 HE2 LYS 516 12.301 11.236 -0.703 55 HE3 LYS 516 HE3 LYS 516 10.836 10.410 -1.231 56 HZ1 LYS 516 HZ1 LYS 516 10.320 12.621 -0.456 57 HZ2 LYS 516 HZ2 LYS 516 11.047 12.314 1.039 58 HZ3 LYS 516 HZ3 LYS 516 9.642 11.486 0.597 59 H GLY 517 HN GLY 517 12.839 8.343 4.045 60 HA2 GLY 517 HA2 GLY 517 13.330 6.082 5.760 61 HA3 GLY 517 HA1 GLY 517 13.701 7.764 6.113 62 H ALA 518 HN ALA 518 10.568 6.516 5.198 63 HA ALA 518 HA ALA 518 9.578 6.730 7.931 64 HB1 ALA 518 HB1 ALA 518 9.234 8.963 7.002 65 HB2 ALA 518 HB2 ALA 518 7.693 8.145 7.250 66 HB3 ALA 518 HB3 ALA 518 8.372 8.270 5.629 67 H GLY 519 HN GLY 519 7.788 6.674 4.879 68 HA2 GLY 519 HA2 GLY 519 6.615 4.987 3.834 69 HA3 GLY 519 HA1 GLY 519 7.447 3.832 4.864 70 H ARG 520 HN ARG 520 4.518 4.465 4.027 71 HA ARG 520 HA ARG 520 3.451 3.864 6.681 72 HB2 ARG 520 HB2 ARG 520 2.430 6.036 4.860 73 HB3 ARG 520 HB3 ARG 520 1.422 5.300 6.095 74 HG2 ARG 520 HG2 ARG 520 3.163 5.974 7.772 75 HG3 ARG 520 HG3 ARG 520 3.933 6.902 6.481 76 HD2 ARG 520 HD2 ARG 520 1.908 8.208 6.184 77 HD3 ARG 520 HD3 ARG 520 1.086 7.246 7.412 78 HE ARG 520 HE ARG 520 3.433 8.937 8.006 79 HH11 ARG 520 HH11 ARG 520 0.220 7.764 8.788 80 HH12 ARG 520 HH12 ARG 520 0.122 8.646 10.273 81 HH21 ARG 520 HH21 ARG 520 3.301 10.096 9.956 82 HH22 ARG 520 HH22 ARG 520 1.879 9.974 10.942 83 H VAL 521 HN VAL 521 1.462 2.731 6.656 84 HA VAL 521 HA VAL 521 1.001 1.330 4.113 85 HB VAL 521 HB VAL 521 0.531 0.372 6.943 86 HG11 VAL 521 HG11 VAL 521 0.036 -1.065 4.335 87 HG12 VAL 521 HG12 VAL 521 -1.205 -0.474 5.440 88 HG13 VAL 521 HG13 VAL 521 -0.115 -1.764 5.948 89 HG21 VAL 521 HG21 VAL 521 2.867 0.341 6.334 90 HG22 VAL 521 HG22 VAL 521 2.493 -0.486 4.822 91 HG23 VAL 521 HG23 VAL 521 2.244 -1.308 6.363 92 H VAL 522 HN VAL 522 -0.934 1.381 3.216 93 HA VAL 522 HA VAL 522 -3.136 2.682 4.678 94 HB VAL 522 HB VAL 522 -2.819 2.272 1.695 95 HG11 VAL 522 HG11 VAL 522 -5.124 2.395 2.365 96 HG12 VAL 522 HG12 VAL 522 -4.651 3.868 1.520 97 HG13 VAL 522 HG13 VAL 522 -4.805 3.871 3.278 98 HG21 VAL 522 HG21 VAL 522 -1.145 3.830 2.517 99 HG22 VAL 522 HG22 VAL 522 -2.398 4.752 3.346 100 HG23 VAL 522 HG23 VAL 522 -2.381 4.678 1.585 101 H HIS 523 HN HIS 523 -5.012 1.525 5.031 102 HA HIS 523 HA HIS 523 -4.991 -1.213 3.962 103 HB2 HIS 523 HB2 HIS 523 -5.899 -2.076 5.917 104 HB3 HIS 523 HB3 HIS 523 -4.767 -0.874 6.509 105 HD1 HIS 523 HD1 HIS 523 -5.699 0.955 7.977 106 HD2 HIS 523 HD2 HIS 523 -8.643 -1.328 6.143 107 HE1 HIS 523 HE1 HIS 523 -7.855 1.610 9.095 108 HE2 HIS 523 HE2 HIS 523 -9.589 0.080 8.096 109 H ILE 524 HN ILE 524 -6.752 -2.048 3.054 110 HA ILE 524 HA ILE 524 -8.960 -0.176 2.543 111 HB ILE 524 HB ILE 524 -7.854 -2.363 0.784 112 HG12 ILE 524 HG12 ILE 524 -7.933 0.642 0.444 113 HG13 ILE 524 HG13 ILE 524 -6.509 -0.298 0.873 114 HG21 ILE 524 HG21 ILE 524 -10.276 -0.617 0.457 115 HG22 ILE 524 HG22 ILE 524 -10.183 -2.383 0.435 116 HG23 ILE 524 HG23 ILE 524 -9.494 -1.444 -0.891 117 HD11 ILE 524 HD11 ILE 524 -6.543 -1.389 -1.273 118 HD12 ILE 524 HD12 ILE 524 -6.552 0.361 -1.488 119 HD13 ILE 524 HD13 ILE 524 -8.038 -0.562 -1.703 120 H CYS 525 HN CYS 525 -10.951 -0.768 3.095 121 HA CYS 525 HA CYS 525 -11.383 -3.553 3.951 122 HB2 CYS 525 HB2 CYS 525 -12.989 -2.622 5.619 123 HB3 CYS 525 HB3 CYS 525 -11.327 -2.120 5.900 124 HG CYS 525 HG CYS 525 -13.925 -0.247 4.737 125 H ASN 526 HN ASN 526 -13.887 -3.941 4.123 126 HA ASN 526 HA ASN 526 -15.888 -4.208 3.079 127 HB2 ASN 526 HB2 ASN 526 -15.216 -1.541 1.816 128 HB3 ASN 526 HB3 ASN 526 -16.760 -2.365 1.628 129 HD21 ASN 526 HD21 ASN 526 -18.166 -2.491 3.374 130 HD22 ASN 526 HD22 ASN 526 -17.992 -1.482 4.766 131 H LEU 527 HN LEU 527 -13.450 -5.278 2.003 132 HA LEU 527 HA LEU 527 -13.547 -4.994 -0.864 133 HB2 LEU 527 HB2 LEU 527 -11.890 -6.670 1.018 134 HB3 LEU 527 HB1 LEU 527 -11.736 -6.777 -0.727 135 HG LEU 527 HG LEU 527 -11.374 -4.197 0.786 136 HD11 LEU 527 HD11 LEU 527 -8.999 -4.505 0.612 137 HD12 LEU 527 HD12 LEU 527 -9.221 -6.070 -0.181 138 HD13 LEU 527 HD13 LEU 527 -9.693 -5.862 1.506 139 HD21 LEU 527 HD21 LEU 527 -11.910 -3.921 -1.538 140 HD22 LEU 527 HD22 LEU 527 -10.685 -5.103 -1.997 141 HD23 LEU 527 HD23 LEU 527 -10.201 -3.562 -1.291 142 HA PRO 528 HA PRO 528 -16.542 -8.287 -1.266 143 HB2 PRO 528 HB2 PRO 528 -16.531 -8.367 -3.991 144 HB3 PRO 528 HB3 PRO 528 -17.430 -7.163 -3.062 145 HG2 PRO 528 HG2 PRO 528 -14.768 -6.916 -4.406 146 HG3 PRO 528 HG3 PRO 528 -16.108 -5.757 -4.355 147 HD2 PRO 528 HD2 PRO 528 -13.929 -5.526 -2.773 148 HD3 PRO 528 HD3 PRO 528 -15.543 -5.006 -2.247 149 H GLU 529 HN GLU 529 -16.179 -10.382 -1.162 150 HA GLU 529 HA GLU 529 -13.586 -11.443 -1.557 151 HB2 GLU 529 HB2 GLU 529 -16.193 -12.898 -1.101 152 HB3 GLU 529 HB3 GLU 529 -14.582 -13.578 -0.904 153 HG2 GLU 529 HG2 GLU 529 -14.128 -11.988 0.893 154 HG3 GLU 529 HG3 GLU 529 -15.741 -11.306 0.693 155 H GLY 530 HN GLY 530 -12.682 -12.227 -3.327 156 HA2 GLY 530 HA2 GLY 530 -12.499 -13.497 -5.257 157 HA3 GLY 530 HA1 GLY 530 -14.234 -13.749 -5.225 158 H SER 531 HN SER 531 -14.324 -10.608 -4.999 159 HA SER 531 HA SER 531 -14.566 -10.304 -7.882 160 HB2 SER 531 HB2 SER 531 -16.427 -9.565 -6.469 161 HB3 SER 531 HB3 SER 531 -15.358 -8.446 -5.628 162 HG SER 531 HG SER 531 -16.685 -7.536 -7.359 163 H CYS 532 HN CYS 532 -12.725 -8.942 -5.197 164 HA CYS 532 HA CYS 532 -11.281 -7.168 -6.978 165 HB2 CYS 532 HB2 CYS 532 -10.942 -7.742 -4.030 166 HB3 CYS 532 HB3 CYS 532 -10.006 -6.554 -4.931 167 HG CYS 532 HG CYS 532 -11.767 -4.648 -4.963 168 H THR 533 HN THR 533 -9.270 -7.487 -7.775 169 HA THR 533 HA THR 533 -7.950 -10.022 -7.081 170 HB THR 533 HB THR 533 -6.639 -9.742 -9.141 171 HG1 THR 533 HG1 THR 533 -8.243 -7.399 -9.503 172 HG21 THR 533 HG21 THR 533 -8.441 -10.073 -10.773 173 HG22 THR 533 HG22 THR 533 -9.608 -9.462 -9.603 174 HG23 THR 533 HG23 THR 533 -8.744 -10.965 -9.283 175 H GLU 534 HN GLU 534 -5.460 -9.824 -7.183 176 HA GLU 534 HA GLU 534 -4.617 -8.129 -5.139 177 HB2 GLU 534 HB2 GLU 534 -3.029 -9.543 -7.285 178 HB3 GLU 534 HB3 GLU 534 -2.278 -8.649 -5.974 179 HG2 GLU 534 HG2 GLU 534 -2.259 -10.958 -5.410 180 HG3 GLU 534 HG3 GLU 534 -3.414 -10.145 -4.363 181 H ASN 535 HN ASN 535 -4.391 -7.778 -8.639 182 HA ASN 535 HA ASN 535 -2.782 -5.485 -8.677 183 HB2 ASN 535 HB2 ASN 535 -3.145 -6.909 -10.651 184 HB3 ASN 535 HB3 ASN 535 -4.818 -6.368 -10.732 185 HD21 ASN 535 HD21 ASN 535 -5.286 -4.377 -11.585 186 HD22 ASN 535 HD22 ASN 535 -4.104 -3.367 -12.342 187 H ASP 536 HN ASP 536 -6.325 -5.815 -8.562 188 HA ASP 536 HA ASP 536 -6.955 -3.133 -9.113 189 HB2 ASP 536 HB2 ASP 536 -8.486 -4.992 -7.281 190 HB3 ASP 536 HB3 ASP 536 -9.091 -3.507 -7.995 191 H VAL 537 HN VAL 537 -6.397 -4.782 -6.046 192 HA VAL 537 HA VAL 537 -6.965 -2.596 -4.365 193 HB VAL 537 HB VAL 537 -5.133 -4.937 -3.816 194 HG11 VAL 537 HG11 VAL 537 -5.542 -4.530 -1.493 195 HG12 VAL 537 HG12 VAL 537 -6.666 -3.229 -1.874 196 HG13 VAL 537 HG13 VAL 537 -4.948 -3.042 -2.227 197 HG21 VAL 537 HG21 VAL 537 -7.102 -6.002 -2.814 198 HG22 VAL 537 HG22 VAL 537 -7.326 -5.699 -4.538 199 HG23 VAL 537 HG23 VAL 537 -8.097 -4.648 -3.349 200 H ILE 538 HN ILE 538 -3.922 -3.847 -5.671 201 HA ILE 538 HA ILE 538 -2.194 -1.983 -4.467 202 HB ILE 538 HB ILE 538 -1.901 -3.526 -7.049 203 HG12 ILE 538 HG12 ILE 538 -0.782 -4.066 -4.289 204 HG13 ILE 538 HG13 ILE 538 -2.186 -4.874 -4.975 205 HG21 ILE 538 HG21 ILE 538 0.517 -3.117 -6.812 206 HG22 ILE 538 HG22 ILE 538 0.182 -2.036 -5.459 207 HG23 ILE 538 HG23 ILE 538 -0.396 -1.632 -7.074 208 HD11 ILE 538 HD11 ILE 538 -0.781 -5.804 -6.742 209 HD12 ILE 538 HD12 ILE 538 -0.210 -6.263 -5.137 210 HD13 ILE 538 HD13 ILE 538 0.624 -4.998 -6.043 211 H ASN 539 HN ASN 539 -3.985 -1.924 -7.496 212 HA ASN 539 HA ASN 539 -2.707 0.389 -8.522 213 HB2 ASN 539 HB2 ASN 539 -5.177 -1.118 -9.289 214 HB3 ASN 539 HB3 ASN 539 -4.826 0.439 -10.030 215 HD21 ASN 539 HD21 ASN 539 -2.340 -1.816 -9.049 216 HD22 ASN 539 HD22 ASN 539 -1.825 -2.238 -10.641 217 H LEU 540 HN LEU 540 -5.400 -0.052 -6.361 218 HA LEU 540 HA LEU 540 -6.692 2.406 -6.840 219 HB2 LEU 540 HB2 LEU 540 -6.667 0.613 -4.435 220 HB3 LEU 540 HB1 LEU 540 -7.614 2.085 -4.504 221 HG LEU 540 HG LEU 540 -7.942 -0.388 -6.192 222 HD11 LEU 540 HD11 LEU 540 -8.916 -0.462 -3.964 223 HD12 LEU 540 HD12 LEU 540 -10.167 -0.393 -5.204 224 HD13 LEU 540 HD13 LEU 540 -9.767 1.053 -4.278 225 HD21 LEU 540 HD21 LEU 540 -9.294 2.296 -6.486 226 HD22 LEU 540 HD22 LEU 540 -9.804 0.809 -7.285 227 HD23 LEU 540 HD23 LEU 540 -8.234 1.515 -7.659 228 H GLY 541 HN GLY 541 -3.969 1.613 -4.758 229 HA2 GLY 541 HA2 GLY 541 -4.064 4.153 -3.396 230 HA3 GLY 541 HA1 GLY 541 -2.764 2.973 -3.311 231 H LEU 542 HN LEU 542 -2.534 2.863 -6.213 232 HA LEU 542 HA LEU 542 -0.318 4.489 -6.440 233 HB2 LEU 542 HB2 LEU 542 -1.995 3.243 -8.601 234 HB3 LEU 542 HB1 LEU 542 -0.442 3.999 -8.894 235 HG LEU 542 HG LEU 542 -0.854 1.644 -7.050 236 HD11 LEU 542 HD11 LEU 542 0.368 1.608 -9.793 237 HD12 LEU 542 HD12 LEU 542 -1.316 1.201 -9.488 238 HD13 LEU 542 HD13 LEU 542 -0.033 0.237 -8.757 239 HD21 LEU 542 HD21 LEU 542 1.636 2.926 -8.161 240 HD22 LEU 542 HD22 LEU 542 1.581 1.462 -7.180 241 HD23 LEU 542 HD23 LEU 542 1.080 3.005 -6.490 242 HA PRO 543 HA PRO 543 -3.002 7.484 -9.353 243 HB2 PRO 543 HB2 PRO 543 -5.208 7.768 -7.341 244 HB3 PRO 543 HB3 PRO 543 -5.262 7.937 -9.105 245 HG2 PRO 543 HG2 PRO 543 -6.163 5.734 -7.993 246 HG3 PRO 543 HG3 PRO 543 -5.145 5.625 -9.445 247 HD2 PRO 543 HD2 PRO 543 -4.428 5.122 -6.583 248 HD3 PRO 543 HD3 PRO 543 -3.925 4.247 -8.044 249 H PHE 544 HN PHE 544 -3.044 7.737 -5.766 250 HA PHE 544 HA PHE 544 -2.092 10.498 -6.142 251 HB2 PHE 544 HB2 PHE 544 -3.568 9.269 -3.832 252 HB3 PHE 544 HB1 PHE 544 -2.788 10.845 -3.740 253 HD1 PHE 544 HD1 PHE 544 -5.522 8.924 -5.217 254 HD2 PHE 544 HD2 PHE 544 -3.679 12.744 -4.919 255 HE1 PHE 544 HE1 PHE 544 -7.531 9.964 -6.184 256 HE2 PHE 544 HE2 PHE 544 -5.681 13.790 -5.884 257 HZ PHE 544 HZ PHE 544 -7.581 12.404 -6.577 258 H GLY 545 HN GLY 545 -1.163 7.435 -4.972 259 HA2 GLY 545 HA2 GLY 545 1.316 8.632 -3.922 260 HA3 GLY 545 HA1 GLY 545 0.495 7.319 -3.087 261 H LYS 546 HN LYS 546 2.595 6.255 -3.271 262 HA LYS 546 HA LYS 546 2.644 4.689 -5.756 263 HB2 LYS 546 HB2 LYS 546 4.514 6.232 -5.963 264 HB3 LYS 546 HB3 LYS 546 5.090 5.791 -4.359 265 HG2 LYS 546 HG2 LYS 546 5.350 3.435 -5.213 266 HG3 LYS 546 HG3 LYS 546 5.028 4.073 -6.825 267 HD2 LYS 546 HD2 LYS 546 6.967 5.483 -6.722 268 HD3 LYS 546 HD3 LYS 546 7.242 5.052 -5.034 269 HE2 LYS 546 HE2 LYS 546 8.775 3.808 -6.397 270 HE3 LYS 546 HE3 LYS 546 7.574 2.697 -5.743 271 HZ1 LYS 546 HZ1 LYS 546 7.647 3.815 -8.496 272 HZ2 LYS 546 HZ2 LYS 546 6.390 2.855 -7.884 273 HZ3 LYS 546 HZ3 LYS 546 7.944 2.209 -8.045 274 H VAL 547 HN VAL 547 2.965 2.540 -5.473 275 HA VAL 547 HA VAL 547 2.874 1.567 -2.735 276 HB VAL 547 HB VAL 547 2.305 0.183 -5.362 277 HG11 VAL 547 HG11 VAL 547 3.193 -1.378 -3.712 278 HG12 VAL 547 HG12 VAL 547 1.481 -1.677 -4.013 279 HG13 VAL 547 HG13 VAL 547 1.986 -0.842 -2.544 280 HG21 VAL 547 HG21 VAL 547 0.627 1.837 -4.765 281 HG22 VAL 547 HG22 VAL 547 0.468 1.120 -3.162 282 HG23 VAL 547 HG23 VAL 547 -0.023 0.207 -4.589 283 H THR 548 HN THR 548 4.475 0.466 -1.834 284 HA THR 548 HA THR 548 6.763 -0.333 -3.497 285 HB THR 548 HB THR 548 7.994 -0.401 -1.303 286 HG1 THR 548 HG1 THR 548 6.711 -0.349 0.396 287 HG21 THR 548 HG21 THR 548 6.699 2.210 -2.086 288 HG22 THR 548 HG22 THR 548 8.190 1.540 -2.748 289 HG23 THR 548 HG23 THR 548 8.125 2.056 -1.063 290 H ASN 549 HN ASN 549 4.485 -1.446 -1.076 291 HA ASN 549 HA ASN 549 5.032 -4.224 -1.732 292 HB2 ASN 549 HB2 ASN 549 5.620 -2.979 0.925 293 HB3 ASN 549 HB3 ASN 549 4.964 -4.612 0.893 294 HD21 ASN 549 HD21 ASN 549 7.564 -3.630 1.766 295 HD22 ASN 549 HD22 ASN 549 8.739 -4.503 0.841 296 H TYR 550 HN TYR 550 3.392 -5.680 -0.658 297 HA TYR 550 HA TYR 550 1.030 -4.313 0.341 298 HB2 TYR 550 HB2 TYR 550 -0.489 -5.307 -1.252 299 HB3 TYR 550 HB3 TYR 550 0.747 -4.423 -2.136 300 HD1 TYR 550 HD1 TYR 550 -1.046 -7.428 -1.983 301 HD2 TYR 550 HD2 TYR 550 2.825 -5.915 -2.867 302 HE1 TYR 550 HE1 TYR 550 -0.567 -9.448 -3.297 303 HE2 TYR 550 HE2 TYR 550 3.317 -7.927 -4.192 304 HH TYR 550 HH TYR 550 2.572 -10.245 -4.368 305 H ILE 551 HN ILE 551 -0.283 -5.580 1.610 306 HA ILE 551 HA ILE 551 0.295 -8.454 1.746 307 HB ILE 551 HB ILE 551 0.021 -6.579 4.097 308 HG12 ILE 551 HG12 ILE 551 2.066 -8.669 3.321 309 HG13 ILE 551 HG13 ILE 551 2.292 -6.924 3.305 310 HG21 ILE 551 HG21 ILE 551 -1.517 -8.431 4.471 311 HG22 ILE 551 HG22 ILE 551 -0.131 -8.545 5.554 312 HG23 ILE 551 HG23 ILE 551 -0.227 -9.587 4.136 313 HD11 ILE 551 HD11 ILE 551 2.055 -6.892 5.748 314 HD12 ILE 551 HD12 ILE 551 3.391 -7.912 5.214 315 HD13 ILE 551 HD13 ILE 551 1.877 -8.646 5.738 316 H LEU 552 HN LEU 552 -1.470 -9.558 1.346 317 HA LEU 552 HA LEU 552 -4.044 -8.166 1.607 318 HB2 LEU 552 HB2 LEU 552 -3.077 -10.227 -0.351 319 HB3 LEU 552 HB1 LEU 552 -4.773 -9.818 -0.175 320 HG LEU 552 HG LEU 552 -2.655 -7.772 -0.824 321 HD11 LEU 552 HD11 LEU 552 -3.402 -7.923 -3.137 322 HD12 LEU 552 HD12 LEU 552 -4.505 -9.233 -2.712 323 HD13 LEU 552 HD13 LEU 552 -2.761 -9.474 -2.596 324 HD21 LEU 552 HD21 LEU 552 -5.662 -7.784 -0.954 325 HD22 LEU 552 HD22 LEU 552 -4.631 -6.503 -1.598 326 HD23 LEU 552 HD23 LEU 552 -4.641 -6.839 0.132 327 H MET 553 HN MET 553 -5.195 -8.826 3.261 328 HA MET 553 HA MET 553 -5.186 -11.697 3.897 329 HB2 MET 553 HB2 MET 553 -6.051 -9.340 5.590 330 HB3 MET 553 HB3 MET 553 -6.154 -11.026 6.080 331 HG2 MET 553 HG2 MET 553 -3.725 -11.219 5.932 332 HG3 MET 553 HG3 MET 553 -3.624 -9.529 5.443 333 HE1 MET 553 HE1 MET 553 -1.881 -9.042 7.365 334 HE2 MET 553 HE2 MET 553 -1.957 -10.737 7.846 335 HE3 MET 553 HE3 MET 553 -2.145 -9.469 9.057 336 H LYS 554 HN LYS 554 -6.574 -12.234 2.230 337 HA LYS 554 HA LYS 554 -8.989 -10.862 1.661 338 HB2 LYS 554 HB2 LYS 554 -8.125 -13.669 0.943 339 HB3 LYS 554 HB3 LYS 554 -9.464 -12.796 0.213 340 HG2 LYS 554 HG2 LYS 554 -6.713 -11.635 0.137 341 HG3 LYS 554 HG3 LYS 554 -7.173 -12.903 -0.996 342 HD2 LYS 554 HD2 LYS 554 -9.152 -11.472 -1.618 343 HD3 LYS 554 HD3 LYS 554 -8.421 -10.184 -0.656 344 HE2 LYS 554 HE2 LYS 554 -7.861 -9.948 -3.024 345 HE3 LYS 554 HE3 LYS 554 -6.423 -10.263 -2.054 346 HZ1 LYS 554 HZ1 LYS 554 -7.898 -12.269 -3.674 347 HZ2 LYS 554 HZ2 LYS 554 -6.537 -12.591 -2.726 348 HZ3 LYS 554 HZ3 LYS 554 -6.402 -11.575 -4.078 349 H SER 555 HN SER 555 -8.135 -13.597 3.659 350 HA SER 555 HA SER 555 -10.757 -14.552 4.085 351 HB2 SER 555 HB2 SER 555 -9.709 -15.854 5.930 352 HB3 SER 555 HB3 SER 555 -8.861 -16.004 4.393 353 HG SER 555 HG SER 555 -7.420 -15.662 6.123 354 H THR 556 HN THR 556 -8.980 -11.943 5.525 355 HA THR 556 HA THR 556 -11.003 -11.757 7.648 356 HB THR 556 HB THR 556 -9.473 -10.165 8.762 357 HG1 THR 556 HG1 THR 556 -8.123 -9.309 7.333 358 HG21 THR 556 HG21 THR 556 -7.777 -11.807 9.438 359 HG22 THR 556 HG22 THR 556 -8.213 -12.820 8.062 360 HG23 THR 556 HG23 THR 556 -9.380 -12.535 9.353 361 H ASN 557 HN ASN 557 -10.806 -10.804 4.659 362 HA ASN 557 HA ASN 557 -11.661 -9.119 3.384 363 HB2 ASN 557 HB2 ASN 557 -13.567 -9.614 5.057 364 HB3 ASN 557 HB3 ASN 557 -13.058 -8.128 5.859 365 HD21 ASN 557 HD21 ASN 557 -15.565 -8.845 4.491 366 HD22 ASN 557 HD22 ASN 557 -15.801 -7.635 3.279 367 H GLN 558 HN GLN 558 -9.125 -8.587 4.347 368 HA GLN 558 HA GLN 558 -9.234 -5.676 4.615 369 HB2 GLN 558 HB2 GLN 558 -7.599 -7.498 6.386 370 HB3 GLN 558 HB3 GLN 558 -7.454 -5.746 6.339 371 HG2 GLN 558 HG2 GLN 558 -9.622 -5.452 7.235 372 HG3 GLN 558 HG3 GLN 558 -10.025 -7.160 7.019 373 HE21 GLN 558 HE21 GLN 558 -6.946 -5.993 8.228 374 HE22 GLN 558 HE22 GLN 558 -7.146 -6.577 9.842 375 H ALA 559 HN ALA 559 -7.468 -4.599 3.768 376 HA ALA 559 HA ALA 559 -5.371 -6.241 2.531 377 HB1 ALA 559 HB1 ALA 559 -5.477 -4.912 0.505 378 HB2 ALA 559 HB2 ALA 559 -6.791 -3.952 1.177 379 HB3 ALA 559 HB3 ALA 559 -7.046 -5.659 0.817 380 H PHE 560 HN PHE 560 -3.346 -5.307 2.529 381 HA PHE 560 HA PHE 560 -3.139 -2.627 3.720 382 HB2 PHE 560 HB2 PHE 560 -1.347 -5.004 4.269 383 HB3 PHE 560 HB1 PHE 560 -1.112 -3.380 4.905 384 HD1 PHE 560 HD1 PHE 560 -2.799 -6.529 5.321 385 HD2 PHE 560 HD2 PHE 560 -2.813 -2.435 6.482 386 HE1 PHE 560 HE1 PHE 560 -4.219 -7.086 7.249 387 HE2 PHE 560 HE2 PHE 560 -4.234 -2.986 8.415 388 HZ PHE 560 HZ PHE 560 -4.938 -5.313 8.800 389 H LEU 561 HN LEU 561 -1.971 -1.236 2.584 390 HA LEU 561 HA LEU 561 -0.264 -2.270 0.414 391 HB2 LEU 561 HB2 LEU 561 -2.606 -1.369 -0.171 392 HB3 LEU 561 HB1 LEU 561 -1.959 0.207 0.232 393 HG LEU 561 HG LEU 561 -0.317 0.026 -1.558 394 HD11 LEU 561 HD11 LEU 561 -1.585 -2.662 -2.077 395 HD12 LEU 561 HD12 LEU 561 0.062 -2.371 -1.519 396 HD13 LEU 561 HD13 LEU 561 -0.424 -1.861 -3.134 397 HD21 LEU 561 HD21 LEU 561 -3.086 -0.688 -2.518 398 HD22 LEU 561 HD22 LEU 561 -1.841 0.165 -3.430 399 HD23 LEU 561 HD23 LEU 561 -2.574 0.922 -2.017 400 H GLU 562 HN GLU 562 1.746 -1.342 0.303 401 HA GLU 562 HA GLU 562 2.349 0.653 2.378 402 HB2 GLU 562 HB2 GLU 562 3.612 -1.531 2.303 403 HB3 GLU 562 HB3 GLU 562 4.289 -1.004 0.767 404 HG2 GLU 562 HG2 GLU 562 5.324 0.907 1.860 405 HG3 GLU 562 HG3 GLU 562 4.623 0.418 3.401 406 H MET 563 HN MET 563 3.289 2.583 1.927 407 HA MET 563 HA MET 563 3.361 3.284 -0.928 408 HB2 MET 563 HB2 MET 563 2.741 5.099 1.398 409 HB3 MET 563 HB3 MET 563 2.649 5.511 -0.310 410 HG2 MET 563 HG2 MET 563 0.926 3.551 1.183 411 HG3 MET 563 HG3 MET 563 0.441 5.105 0.508 412 HE1 MET 563 HE1 MET 563 -1.623 3.800 -0.591 413 HE2 MET 563 HE2 MET 563 -1.023 2.253 0.020 414 HE3 MET 563 HE3 MET 563 -1.435 2.427 -1.687 415 H ALA 564 HN ALA 564 5.036 4.308 -1.758 416 HA ALA 564 HA ALA 564 7.570 4.084 -0.545 417 HB1 ALA 564 HB1 ALA 564 7.201 3.995 -2.967 418 HB2 ALA 564 HB2 ALA 564 8.412 5.201 -2.531 419 HB3 ALA 564 HB3 ALA 564 6.779 5.707 -2.958 420 H TYR 565 HN TYR 565 5.238 6.581 -0.454 421 HA TYR 565 HA TYR 565 7.184 8.370 0.827 422 HB2 TYR 565 HB2 TYR 565 4.931 9.304 -0.962 423 HB3 TYR 565 HB3 TYR 565 6.200 10.288 -0.253 424 HD1 TYR 565 HD1 TYR 565 5.159 8.555 -3.156 425 HD2 TYR 565 HD2 TYR 565 8.638 9.703 -0.995 426 HE1 TYR 565 HE1 TYR 565 6.515 8.237 -5.182 427 HE2 TYR 565 HE2 TYR 565 10.002 9.395 -3.016 428 HH TYR 565 HH TYR 565 9.910 8.133 -5.117 429 H THR 566 HN THR 566 6.449 9.326 2.680 430 HA THR 566 HA THR 566 4.081 8.341 3.889 431 HB THR 566 HB THR 566 6.040 9.117 5.216 432 HG1 THR 566 HG1 THR 566 4.618 10.444 6.706 433 HG21 THR 566 HG21 THR 566 6.650 11.129 4.019 434 HG22 THR 566 HG22 THR 566 6.256 11.541 5.687 435 HG23 THR 566 HG23 THR 566 5.095 11.867 4.399 436 H GLU 567 HN GLU 567 4.855 11.174 2.004 437 HA GLU 567 HA GLU 567 2.417 12.564 2.312 438 HB2 GLU 567 HB2 GLU 567 4.158 12.482 -0.142 439 HB3 GLU 567 HB3 GLU 567 3.028 13.749 0.308 440 HG2 GLU 567 HG2 GLU 567 4.429 14.213 2.291 441 HG3 GLU 567 HG3 GLU 567 5.599 13.043 1.692 442 H ALA 568 HN ALA 568 3.484 10.020 0.178 443 HA ALA 568 HA ALA 568 1.332 10.050 -1.607 444 HB1 ALA 568 HB1 ALA 568 3.342 8.890 -2.170 445 HB2 ALA 568 HB2 ALA 568 2.048 7.697 -2.089 446 HB3 ALA 568 HB3 ALA 568 3.198 7.841 -0.762 447 H ALA 569 HN ALA 569 1.874 8.196 1.370 448 HA ALA 569 HA ALA 569 -0.518 6.692 1.178 449 HB1 ALA 569 HB1 ALA 569 1.056 7.323 3.667 450 HB2 ALA 569 HB2 ALA 569 1.459 6.043 2.527 451 HB3 ALA 569 HB3 ALA 569 -0.057 5.977 3.420 452 H GLN 570 HN GLN 570 0.316 9.609 3.037 453 HA GLN 570 HA GLN 570 -2.201 9.761 4.331 454 HB2 GLN 570 HB2 GLN 570 -0.095 11.882 3.889 455 HB3 GLN 570 HB3 GLN 570 -1.485 12.059 4.952 456 HG2 GLN 570 HG2 GLN 570 -0.692 10.238 6.339 457 HG3 GLN 570 HG3 GLN 570 0.668 9.976 5.247 458 HE21 GLN 570 HE21 GLN 570 2.340 11.474 5.199 459 HE22 GLN 570 HE22 GLN 570 2.589 12.619 6.470 460 H ALA 571 HN ALA 571 -0.861 11.396 1.474 461 HA ALA 571 HA ALA 571 -3.001 13.195 1.119 462 HB1 ALA 571 HB1 ALA 571 -1.064 12.142 -0.936 463 HB2 ALA 571 HB2 ALA 571 -0.824 13.552 0.096 464 HB3 ALA 571 HB3 ALA 571 -2.101 13.557 -1.120 465 H MET 572 HN MET 572 -2.360 10.003 -0.336 466 HA MET 572 HA MET 572 -4.570 10.054 -2.079 467 HB2 MET 572 HB2 MET 572 -4.221 7.743 -2.445 468 HB3 MET 572 HB3 MET 572 -2.630 8.425 -2.162 469 HG2 MET 572 HG2 MET 572 -2.561 7.522 0.050 470 HG3 MET 572 HG3 MET 572 -4.245 7.010 -0.058 471 HE1 MET 572 HE1 MET 572 -1.407 6.811 -2.750 472 HE2 MET 572 HE2 MET 572 -0.784 5.184 -2.477 473 HE3 MET 572 HE3 MET 572 -0.577 6.428 -1.241 474 H VAL 573 HN VAL 573 -4.195 8.885 1.217 475 HA VAL 573 HA VAL 573 -6.779 7.779 1.415 476 HB VAL 573 HB VAL 573 -4.873 8.644 3.582 477 HG11 VAL 573 HG11 VAL 573 -7.000 8.629 4.598 478 HG12 VAL 573 HG12 VAL 573 -6.309 7.046 4.958 479 HG13 VAL 573 HG13 VAL 573 -7.511 7.215 3.680 480 HG21 VAL 573 HG21 VAL 573 -4.437 6.231 3.744 481 HG22 VAL 573 HG22 VAL 573 -4.039 6.860 2.141 482 HG23 VAL 573 HG23 VAL 573 -5.534 5.952 2.390 483 H GLN 574 HN GLN 574 -5.492 10.995 2.116 484 HA GLN 574 HA GLN 574 -7.751 12.016 3.421 485 HB2 GLN 574 HB2 GLN 574 -5.786 13.402 1.590 486 HB3 GLN 574 HB3 GLN 574 -7.013 14.248 2.519 487 HG2 GLN 574 HG2 GLN 574 -4.712 12.642 3.596 488 HG3 GLN 574 HG3 GLN 574 -4.914 14.391 3.660 489 HE21 GLN 574 HE21 GLN 574 -5.870 11.347 4.987 490 HE22 GLN 574 HE22 GLN 574 -6.709 11.968 6.363 491 H TYR 575 HN TYR 575 -7.002 11.655 0.003 492 HA TYR 575 HA TYR 575 -9.444 12.740 -0.946 493 HB2 TYR 575 HB2 TYR 575 -7.462 12.475 -2.384 494 HB3 TYR 575 HB3 TYR 575 -7.622 10.726 -2.265 495 HD1 TYR 575 HD1 TYR 575 -9.392 13.776 -3.437 496 HD2 TYR 575 HD2 TYR 575 -8.994 9.553 -3.761 497 HE1 TYR 575 HE1 TYR 575 -10.899 13.789 -5.375 498 HE2 TYR 575 HE2 TYR 575 -10.502 9.556 -5.705 499 HH TYR 575 HH TYR 575 -11.475 12.473 -7.274 500 H TYR 576 HN TYR 576 -8.406 9.401 -0.256 501 HA TYR 576 HA TYR 576 -10.863 8.305 -1.218 502 HB2 TYR 576 HB2 TYR 576 -8.671 7.010 0.395 503 HB3 TYR 576 HB3 TYR 576 -10.014 6.158 -0.358 504 HD1 TYR 576 HD1 TYR 576 -6.765 6.328 -0.738 505 HD2 TYR 576 HD2 TYR 576 -10.207 7.447 -2.969 506 HE1 TYR 576 HE1 TYR 576 -5.463 6.158 -2.809 507 HE2 TYR 576 HE2 TYR 576 -8.920 7.283 -5.051 508 HH TYR 576 HH TYR 576 -5.971 5.757 -5.276 509 H GLN 577 HN GLN 577 -9.917 9.545 1.847 510 HA GLN 577 HA GLN 577 -11.948 8.192 3.329 511 HB2 GLN 577 HB2 GLN 577 -10.266 10.634 3.855 512 HB3 GLN 577 HB3 GLN 577 -11.564 10.173 4.952 513 HG2 GLN 577 HG2 GLN 577 -9.361 8.297 4.164 514 HG3 GLN 577 HG3 GLN 577 -9.212 9.418 5.515 515 HE21 GLN 577 HE21 GLN 577 -9.044 7.788 7.020 516 HE22 GLN 577 HE22 GLN 577 -10.384 6.807 7.484 517 H GLU 578 HN GLU 578 -11.829 11.003 1.306 518 HA GLU 578 HA GLU 578 -14.539 11.781 2.096 519 HB2 GLU 578 HB2 GLU 578 -12.508 13.182 0.351 520 HB3 GLU 578 HB3 GLU 578 -14.115 13.801 0.704 521 HG2 GLU 578 HG2 GLU 578 -11.931 13.291 2.707 522 HG3 GLU 578 HG3 GLU 578 -12.441 14.864 2.094 523 H LYS 579 HN LYS 579 -12.644 10.834 -0.711 524 HA LYS 579 HA LYS 579 -15.139 10.000 -2.034 525 HB2 LYS 579 HB2 LYS 579 -12.772 11.416 -3.266 526 HB3 LYS 579 HB3 LYS 579 -13.958 10.540 -4.221 527 HG2 LYS 579 HG2 LYS 579 -14.577 12.866 -2.409 528 HG3 LYS 579 HG3 LYS 579 -14.372 12.965 -4.158 529 HD2 LYS 579 HD2 LYS 579 -16.459 11.293 -2.751 530 HD3 LYS 579 HD3 LYS 579 -16.747 12.878 -3.468 531 HE2 LYS 579 HE2 LYS 579 -16.110 12.002 -5.660 532 HE3 LYS 579 HE3 LYS 579 -15.815 10.420 -4.945 533 HZ1 LYS 579 HZ1 LYS 579 -18.434 11.817 -4.996 534 HZ2 LYS 579 HZ2 LYS 579 -18.144 10.286 -4.345 535 HZ3 LYS 579 HZ3 LYS 579 -17.982 10.539 -6.009 536 HA PRO 580 HA PRO 580 -12.264 6.485 -1.352 537 HB2 PRO 580 HB2 PRO 580 -14.812 5.021 -1.088 538 HB3 PRO 580 HB3 PRO 580 -13.457 5.138 0.043 539 HG2 PRO 580 HG2 PRO 580 -15.772 6.377 0.563 540 HG3 PRO 580 HG3 PRO 580 -14.216 7.151 0.955 541 HD2 PRO 580 HD2 PRO 580 -15.989 7.591 -1.431 542 HD3 PRO 580 HD3 PRO 580 -15.229 8.790 -0.357 543 H ALA 581 HN ALA 581 -12.014 4.430 -2.531 544 HA ALA 581 HA ALA 581 -12.712 4.944 -5.317 545 HB1 ALA 581 HB1 ALA 581 -10.746 2.949 -4.194 546 HB2 ALA 581 HB2 ALA 581 -10.344 4.589 -4.705 547 HB3 ALA 581 HB3 ALA 581 -10.928 3.416 -5.885 548 H ILE 582 HN ILE 582 -13.866 3.581 -6.577 549 HA ILE 582 HA ILE 582 -15.341 1.510 -5.102 550 HB ILE 582 HB ILE 582 -16.187 2.997 -7.596 551 HG12 ILE 582 HG12 ILE 582 -16.990 3.423 -4.712 552 HG13 ILE 582 HG13 ILE 582 -15.993 4.502 -5.666 553 HG21 ILE 582 HG21 ILE 582 -17.754 1.219 -5.731 554 HG22 ILE 582 HG22 ILE 582 -17.226 0.799 -7.359 555 HG23 ILE 582 HG23 ILE 582 -18.404 2.089 -7.121 556 HD11 ILE 582 HD11 ILE 582 -18.261 5.331 -5.486 557 HD12 ILE 582 HD12 ILE 582 -18.877 3.836 -6.192 558 HD13 ILE 582 HD13 ILE 582 -17.878 4.922 -7.158 559 H ILE 583 HN ILE 583 -15.188 -0.559 -5.709 560 HA ILE 583 HA ILE 583 -14.187 -1.144 -8.425 561 HB ILE 583 HB ILE 583 -13.639 -2.661 -5.872 562 HG12 ILE 583 HG12 ILE 583 -11.819 -1.328 -7.887 563 HG13 ILE 583 HG13 ILE 583 -12.132 -0.789 -6.238 564 HG21 ILE 583 HG21 ILE 583 -13.005 -3.483 -8.703 565 HG22 ILE 583 HG22 ILE 583 -14.176 -4.250 -7.633 566 HG23 ILE 583 HG23 ILE 583 -12.456 -4.310 -7.247 567 HD11 ILE 583 HD11 ILE 583 -11.036 -2.732 -5.347 568 HD12 ILE 583 HD12 ILE 583 -9.966 -1.941 -6.505 569 HD13 ILE 583 HD13 ILE 583 -10.837 -3.405 -6.962 570 H ASN 584 HN ASN 584 -15.702 -2.001 -9.635 571 HA ASN 584 HA ASN 584 -17.531 -3.135 -10.348 572 HB2 ASN 584 HB2 ASN 584 -16.629 -5.047 -8.184 573 HB3 ASN 584 HB3 ASN 584 -17.799 -5.437 -9.440 574 HD21 ASN 584 HD21 ASN 584 -15.268 -6.714 -8.896 575 HD22 ASN 584 HD22 ASN 584 -14.310 -6.538 -10.327 576 H GLY 585 HN GLY 585 -18.204 -1.076 -8.678 577 HA2 GLY 585 HA2 GLY 585 -20.289 -0.352 -7.940 578 HA3 GLY 585 HA1 GLY 585 -20.796 -2.025 -7.795 579 H GLU 586 HN GLU 586 -17.940 -1.981 -6.224 580 HA GLU 586 HA GLU 586 -19.291 -1.571 -3.650 581 HB2 GLU 586 HB2 GLU 586 -16.708 -3.004 -4.302 582 HB3 GLU 586 HB3 GLU 586 -17.414 -2.868 -2.696 583 HG2 GLU 586 HG2 GLU 586 -18.663 -4.239 -5.058 584 HG3 GLU 586 HG3 GLU 586 -17.872 -5.035 -3.698 585 H LYS 587 HN LYS 587 -18.810 0.110 -2.417 586 HA LYS 587 HA LYS 587 -16.701 1.918 -3.237 587 HB2 LYS 587 HB2 LYS 587 -18.695 2.085 -0.969 588 HB3 LYS 587 HB3 LYS 587 -17.564 3.356 -1.407 589 HG2 LYS 587 HG2 LYS 587 -18.637 3.627 -3.554 590 HG3 LYS 587 HG3 LYS 587 -19.717 2.274 -3.210 591 HD2 LYS 587 HD2 LYS 587 -20.853 4.393 -2.827 592 HD3 LYS 587 HD3 LYS 587 -20.656 3.515 -1.311 593 HE2 LYS 587 HE2 LYS 587 -18.684 4.901 -0.795 594 HE3 LYS 587 HE3 LYS 587 -18.947 5.802 -2.288 595 HZ1 LYS 587 HZ1 LYS 587 -21.125 6.466 -1.424 596 HZ2 LYS 587 HZ2 LYS 587 -19.866 6.991 -0.426 597 HZ3 LYS 587 HZ3 LYS 587 -20.800 5.656 0.027 598 H LEU 588 HN LEU 588 -14.704 1.354 -2.659 599 HA LEU 588 HA LEU 588 -14.259 -0.052 -0.155 600 HB2 LEU 588 HB2 LEU 588 -12.257 0.852 -2.215 601 HB3 LEU 588 HB1 LEU 588 -11.957 -0.243 -0.882 602 HG LEU 588 HG LEU 588 -13.609 -0.767 -3.341 603 HD11 LEU 588 HD11 LEU 588 -11.270 -0.972 -3.705 604 HD12 LEU 588 HD12 LEU 588 -11.932 -2.602 -3.563 605 HD13 LEU 588 HD13 LEU 588 -11.058 -1.878 -2.210 606 HD21 LEU 588 HD21 LEU 588 -13.991 -3.009 -2.399 607 HD22 LEU 588 HD22 LEU 588 -14.763 -1.743 -1.445 608 HD23 LEU 588 HD23 LEU 588 -13.265 -2.481 -0.881 609 H LEU 589 HN LEU 589 -13.821 0.992 1.654 610 HA LEU 589 HA LEU 589 -13.014 3.760 1.556 611 HB2 LEU 589 HB2 LEU 589 -14.585 2.879 3.291 612 HB3 LEU 589 HB1 LEU 589 -13.264 1.932 3.949 613 HG LEU 589 HG LEU 589 -12.042 4.006 4.476 614 HD11 LEU 589 HD11 LEU 589 -13.214 6.163 4.323 615 HD12 LEU 589 HD12 LEU 589 -14.525 5.371 3.447 616 HD13 LEU 589 HD13 LEU 589 -12.913 5.451 2.739 617 HD21 LEU 589 HD21 LEU 589 -13.490 2.994 6.156 618 HD22 LEU 589 HD22 LEU 589 -14.858 3.929 5.553 619 HD23 LEU 589 HD23 LEU 589 -13.487 4.752 6.298 620 H ILE 590 HN ILE 590 -11.003 4.134 0.992 621 HA ILE 590 HA ILE 590 -8.866 2.321 1.836 622 HB ILE 590 HB ILE 590 -8.690 4.771 0.066 623 HG12 ILE 590 HG12 ILE 590 -9.001 1.875 -0.730 624 HG13 ILE 590 HG13 ILE 590 -10.171 3.160 -0.970 625 HG21 ILE 590 HG21 ILE 590 -6.570 4.141 1.039 626 HG22 ILE 590 HG22 ILE 590 -6.575 3.786 -0.688 627 HG23 ILE 590 HG23 ILE 590 -6.781 2.482 0.481 628 HD11 ILE 590 HD11 ILE 590 -7.456 2.995 -2.255 629 HD12 ILE 590 HD12 ILE 590 -8.629 4.290 -2.493 630 HD13 ILE 590 HD13 ILE 590 -9.001 2.652 -3.031 631 H ARG 591 HN ARG 591 -7.845 2.763 3.688 632 HA ARG 591 HA ARG 591 -7.692 5.544 4.590 633 HB2 ARG 591 HB2 ARG 591 -8.575 4.794 6.859 634 HB3 ARG 591 HB3 ARG 591 -9.738 4.989 5.559 635 HG2 ARG 591 HG2 ARG 591 -9.636 2.540 5.176 636 HG3 ARG 591 HG3 ARG 591 -8.600 2.408 6.598 637 HD2 ARG 591 HD2 ARG 591 -11.391 3.554 6.583 638 HD3 ARG 591 HD3 ARG 591 -10.974 1.918 7.086 639 HE ARG 591 HE ARG 591 -9.472 3.848 8.535 640 HH11 ARG 591 HH11 ARG 591 -12.667 2.423 8.333 641 HH12 ARG 591 HH12 ARG 591 -13.043 2.727 9.997 642 HH21 ARG 591 HH21 ARG 591 -9.963 4.226 10.730 643 HH22 ARG 591 HH22 ARG 591 -11.504 3.735 11.364 644 H MET 592 HN MET 592 -6.406 5.878 6.512 645 HA MET 592 HA MET 592 -3.850 4.740 6.167 646 HB2 MET 592 HB2 MET 592 -4.921 6.411 8.453 647 HB3 MET 592 HB3 MET 592 -3.224 6.098 8.134 648 HG2 MET 592 HG2 MET 592 -4.724 7.296 5.897 649 HG3 MET 592 HG3 MET 592 -4.552 8.300 7.334 650 HE1 MET 592 HE1 MET 592 -0.876 6.525 5.158 651 HE2 MET 592 HE2 MET 592 -2.535 6.127 4.713 652 HE3 MET 592 HE3 MET 592 -1.884 5.589 6.261 653 H SER 593 HN SER 593 -2.823 3.088 7.168 654 HA SER 593 HA SER 593 -4.291 1.526 9.133 655 HB2 SER 593 HB2 SER 593 -1.564 1.015 7.933 656 HB3 SER 593 HB3 SER 593 -2.543 -0.133 8.848 657 HG SER 593 HG SER 593 -2.654 0.531 6.228 658 H THR 594 HN THR 594 -4.017 1.742 11.266 659 HA THR 594 HA THR 594 -1.590 3.025 12.262 660 HB THR 594 HB THR 594 -3.684 3.807 13.250 661 HG1 THR 594 HG1 THR 594 -1.942 3.843 14.660 662 HG21 THR 594 HG21 THR 594 -5.031 2.315 14.677 663 HG22 THR 594 HG22 THR 594 -4.041 0.952 14.157 664 HG23 THR 594 HG23 THR 594 -5.038 1.811 12.988 665 H ARG 595 HN ARG 595 -3.055 -0.037 11.846 666 HA ARG 595 HA ARG 595 -1.681 -1.462 13.889 667 HB2 ARG 595 HB2 ARG 595 -3.059 -2.400 11.369 668 HB3 ARG 595 HB3 ARG 595 -2.420 -3.482 12.599 669 HG2 ARG 595 HG2 ARG 595 -4.526 -1.393 13.108 670 HG3 ARG 595 HG3 ARG 595 -4.864 -3.090 12.757 671 HD2 ARG 595 HD2 ARG 595 -3.687 -3.782 14.736 672 HD3 ARG 595 HD3 ARG 595 -3.170 -2.127 15.056 673 HE ARG 595 HE ARG 595 -5.999 -2.292 14.932 674 HH11 ARG 595 HH11 ARG 595 -3.279 -3.070 16.994 675 HH12 ARG 595 HH12 ARG 595 -4.191 -2.946 18.462 676 HH21 ARG 595 HH21 ARG 595 -7.206 -2.124 16.874 677 HH22 ARG 595 HH22 ARG 595 -6.420 -2.403 18.393 678 H TYR 596 HN TYR 596 -0.958 -0.658 10.554 679 HA TYR 596 HA TYR 596 1.660 -1.962 10.900 680 HB2 TYR 596 HB2 TYR 596 -0.006 -1.750 8.380 681 HB3 TYR 596 HB3 TYR 596 1.673 -2.273 8.405 682 HD1 TYR 596 HD1 TYR 596 2.115 -4.541 8.504 683 HD2 TYR 596 HD2 TYR 596 -1.617 -3.118 9.963 684 HE1 TYR 596 HE1 TYR 596 1.381 -6.858 8.880 685 HE2 TYR 596 HE2 TYR 596 -2.358 -5.427 10.346 686 HH TYR 596 HH TYR 596 -0.202 -8.097 10.178 687 H LYS 597 HN LYS 597 3.339 -0.628 10.711 688 HA LYS 597 HA LYS 597 2.946 2.035 9.591 689 HB2 LYS 597 HB2 LYS 597 5.411 0.871 10.896 690 HB3 LYS 597 HB3 LYS 597 5.134 2.561 10.500 691 HG2 LYS 597 HG2 LYS 597 3.702 0.923 12.575 692 HG3 LYS 597 HG3 LYS 597 4.815 2.260 12.848 693 HD2 LYS 597 HD2 LYS 597 3.230 3.782 11.741 694 HD3 LYS 597 HD3 LYS 597 2.112 2.435 11.518 695 HE2 LYS 597 HE2 LYS 597 3.074 3.557 14.146 696 HE3 LYS 597 HE3 LYS 597 1.470 3.753 13.448 697 HZ1 LYS 597 HZ1 LYS 597 1.617 2.017 15.187 698 HZ2 LYS 597 HZ2 LYS 597 2.641 1.125 14.181 699 HZ3 LYS 597 HZ3 LYS 597 1.047 1.435 13.705 700 H GLU 598 HN GLU 598 4.661 -0.955 9.047 701 HA GLU 598 HA GLU 598 5.084 -0.210 6.271 702 HB2 GLU 598 HB2 GLU 598 7.415 -0.795 6.247 703 HB3 GLU 598 HB3 GLU 598 7.175 0.419 7.493 704 HG2 GLU 598 HG2 GLU 598 7.339 -2.532 8.049 705 HG3 GLU 598 HG3 GLU 598 8.725 -1.449 8.092 706 H LEU 599 HN LEU 599 5.248 -1.992 4.886 707 HA LEU 599 HA LEU 599 4.380 -4.534 6.062 708 HB2 LEU 599 HB2 LEU 599 4.554 -3.707 3.165 709 HB3 LEU 599 HB1 LEU 599 3.910 -5.222 3.770 710 HG LEU 599 HG LEU 599 2.717 -2.511 4.373 711 HD11 LEU 599 HD11 LEU 599 1.003 -3.066 2.790 712 HD12 LEU 599 HD12 LEU 599 1.750 -4.631 2.475 713 HD13 LEU 599 HD13 LEU 599 2.568 -3.149 1.981 714 HD21 LEU 599 HD21 LEU 599 1.555 -5.259 4.734 715 HD22 LEU 599 HD22 LEU 599 0.857 -3.723 5.242 716 HD23 LEU 599 HD23 LEU 599 2.310 -4.334 6.035 717 H GLN 600 HN GLN 600 6.066 -5.693 6.736 718 HA GLN 600 HA GLN 600 8.632 -5.430 5.427 719 HB2 GLN 600 HB2 GLN 600 7.781 -7.065 7.822 720 HB3 GLN 600 HB3 GLN 600 9.435 -6.937 7.235 721 HG2 GLN 600 HG2 GLN 600 9.402 -4.533 7.653 722 HG3 GLN 600 HG3 GLN 600 7.743 -4.657 8.236 723 HE21 GLN 600 HE21 GLN 600 11.078 -5.309 8.918 724 HE22 GLN 600 HE22 GLN 600 10.870 -5.690 10.587 725 H LEU 601 HN LEU 601 7.838 -6.321 3.399 726 HA LEU 601 HA LEU 601 7.421 -9.199 3.332 727 HB2 LEU 601 HB2 LEU 601 7.628 -7.170 1.105 728 HB3 LEU 601 HB1 LEU 601 7.270 -8.869 0.878 729 HG LEU 601 HG LEU 601 5.537 -6.834 2.276 730 HD11 LEU 601 HD11 LEU 601 3.993 -7.307 0.444 731 HD12 LEU 601 HD12 LEU 601 5.173 -8.406 -0.269 732 HD13 LEU 601 HD13 LEU 601 5.530 -6.683 -0.153 733 HD21 LEU 601 HD21 LEU 601 3.901 -8.666 2.465 734 HD22 LEU 601 HD22 LEU 601 5.349 -8.954 3.429 735 HD23 LEU 601 HD23 LEU 601 5.128 -9.798 1.897 736 H LYS 602 HN LYS 602 8.793 -10.639 2.222 737 HA LYS 602 HA LYS 602 11.584 -9.869 2.326 738 HB2 LYS 602 HB2 LYS 602 11.927 -12.344 1.758 739 HB3 LYS 602 HB3 LYS 602 11.250 -11.950 3.328 740 HG2 LYS 602 HG2 LYS 602 10.010 -13.776 2.573 741 HG3 LYS 602 HG3 LYS 602 8.972 -12.385 2.283 742 HD2 LYS 602 HD2 LYS 602 9.497 -12.397 -0.053 743 HD3 LYS 602 HD3 LYS 602 10.743 -13.625 0.185 744 HE2 LYS 602 HE2 LYS 602 7.794 -14.015 0.679 745 HE3 LYS 602 HE3 LYS 602 8.664 -14.555 -0.754 746 HZ1 LYS 602 HZ1 LYS 602 9.171 -15.465 2.028 747 HZ2 LYS 602 HZ2 LYS 602 10.020 -15.977 0.658 748 HZ3 LYS 602 HZ3 LYS 602 8.382 -16.349 0.822 749 H LYS 603 HN LYS 603 9.878 -8.740 0.290 750 HA LYS 603 HA LYS 603 10.941 -9.907 -2.175 751 HB2 LYS 603 HB2 LYS 603 8.890 -7.718 -1.772 752 HB3 LYS 603 HB3 LYS 603 9.370 -8.394 -3.322 753 HG2 LYS 603 HG2 LYS 603 8.488 -10.565 -2.663 754 HG3 LYS 603 HG3 LYS 603 8.029 -9.910 -1.091 755 HD2 LYS 603 HD2 LYS 603 6.078 -9.948 -2.481 756 HD3 LYS 603 HD3 LYS 603 6.574 -8.267 -2.284 757 HE2 LYS 603 HE2 LYS 603 5.969 -8.652 -4.584 758 HE3 LYS 603 HE3 LYS 603 7.706 -8.385 -4.480 759 HZ1 LYS 603 HZ1 LYS 603 6.376 -11.032 -4.703 760 HZ2 LYS 603 HZ2 LYS 603 8.046 -10.776 -4.612 761 HZ3 LYS 603 HZ3 LYS 603 7.178 -10.223 -5.950 762 HA PRO 604 HA PRO 604 13.956 -6.598 -1.878 763 HB2 PRO 604 HB2 PRO 604 15.717 -7.597 -3.622 764 HB3 PRO 604 HB3 PRO 604 15.490 -8.331 -2.028 765 HG2 PRO 604 HG2 PRO 604 14.429 -9.202 -4.685 766 HG3 PRO 604 HG3 PRO 604 15.093 -10.182 -3.368 767 HD2 PRO 604 HD2 PRO 604 12.399 -9.812 -3.839 768 HD3 PRO 604 HD3 PRO 604 13.095 -10.271 -2.274 769 H GLY 605 HN GLY 605 14.993 -5.104 -3.415 770 HA2 GLY 605 HA2 GLY 605 13.253 -4.628 -5.744 771 HA3 GLY 605 HA1 GLY 605 14.156 -3.385 -4.888 772 H LYS 606 HN LYS 606 14.338 -6.000 -7.189 773 HA LYS 606 HA LYS 606 17.085 -5.159 -7.861 774 HB2 LYS 606 HB2 LYS 606 15.776 -7.830 -8.401 775 HB3 LYS 606 HB3 LYS 606 17.439 -7.400 -8.763 776 HG2 LYS 606 HG2 LYS 606 16.248 -7.559 -6.002 777 HG3 LYS 606 HG3 LYS 606 17.232 -8.806 -6.765 778 HD2 LYS 606 HD2 LYS 606 19.088 -7.172 -6.942 779 HD3 LYS 606 HD3 LYS 606 18.098 -5.999 -6.068 780 HE2 LYS 606 HE2 LYS 606 17.987 -7.526 -4.156 781 HE3 LYS 606 HE3 LYS 606 18.975 -8.694 -5.031 782 HZ1 LYS 606 HZ1 LYS 606 20.314 -7.429 -3.496 783 HZ2 LYS 606 HZ2 LYS 606 19.817 -5.976 -4.198 784 HZ3 LYS 606 HZ3 LYS 606 20.768 -7.057 -5.084 785 H ASN 607 HN ASN 607 14.100 -6.470 -9.260 786 HA ASN 607 HA ASN 607 14.848 -5.404 -11.880 787 HB2 ASN 607 HB2 ASN 607 14.146 -7.753 -11.790 788 HB3 ASN 607 HB3 ASN 607 12.617 -7.282 -11.063 789 HD21 ASN 607 HD21 ASN 607 14.277 -5.648 -13.719 790 HD22 ASN 607 HD22 ASN 607 13.057 -5.968 -14.901 791 H VAL 608 HN VAL 608 13.949 -3.636 -12.670 792 HA VAL 608 HA VAL 608 12.509 -1.940 -13.115 793 HB VAL 608 HB VAL 608 10.538 -3.363 -11.330 794 HG11 VAL 608 HG11 VAL 608 8.844 -1.987 -12.438 795 HG12 VAL 608 HG12 VAL 608 10.112 -1.148 -13.332 796 HG13 VAL 608 HG13 VAL 608 10.021 -0.995 -11.577 797 HG21 VAL 608 HG21 VAL 608 10.829 -3.403 -14.334 798 HG22 VAL 608 HG22 VAL 608 9.509 -4.139 -13.426 799 HG23 VAL 608 HG23 VAL 608 11.155 -4.743 -13.235 800 H ALA 609 HN ALA 609 12.127 -2.917 -9.715 801 HA ALA 609 HA ALA 609 11.723 -0.401 -8.619 802 HB1 ALA 609 HB1 ALA 609 11.346 -2.473 -7.380 803 HB2 ALA 609 HB2 ALA 609 12.422 -1.394 -6.492 804 HB3 ALA 609 HB3 ALA 609 13.082 -2.782 -7.356 805 H ALA 610 HN ALA 610 12.975 1.231 -9.129 806 HA ALA 610 HA ALA 610 15.678 1.147 -9.784 807 HB1 ALA 610 HB1 ALA 610 14.186 2.988 -10.404 808 HB2 ALA 610 HB2 ALA 610 15.643 3.572 -9.599 809 HB3 ALA 610 HB3 ALA 610 14.116 3.495 -8.717 810 H ILE 611 HN ILE 611 17.317 0.631 -8.558 811 HA ILE 611 HA ILE 611 17.337 0.762 -5.726 812 HB ILE 611 HB ILE 611 19.673 0.555 -7.634 813 HG12 ILE 611 HG12 ILE 611 18.123 -1.603 -6.181 814 HG13 ILE 611 HG13 ILE 611 18.005 -1.248 -7.901 815 HG21 ILE 611 HG21 ILE 611 20.851 -0.436 -5.690 816 HG22 ILE 611 HG22 ILE 611 19.476 -0.002 -4.676 817 HG23 ILE 611 HG23 ILE 611 20.427 1.259 -5.457 818 HD11 ILE 611 HD11 ILE 611 20.462 -2.227 -6.466 819 HD12 ILE 611 HD12 ILE 611 20.341 -1.879 -8.192 820 HD13 ILE 611 HD13 ILE 611 19.396 -3.191 -7.489 821 H ILE 612 HN ILE 612 16.903 2.800 -4.976 822 HA ILE 612 HA ILE 612 18.812 4.917 -5.695 823 HB ILE 612 HB ILE 612 16.012 5.184 -4.593 824 HG12 ILE 612 HG12 ILE 612 17.098 5.837 -7.344 825 HG13 ILE 612 HG13 ILE 612 16.083 4.454 -6.954 826 HG21 ILE 612 HG21 ILE 612 17.979 7.304 -5.464 827 HG22 ILE 612 HG22 ILE 612 17.460 6.979 -3.810 828 HG23 ILE 612 HG23 ILE 612 16.306 7.594 -4.992 829 HD11 ILE 612 HD11 ILE 612 14.267 5.957 -6.341 830 HD12 ILE 612 HD12 ILE 612 14.806 6.236 -7.996 831 HD13 ILE 612 HD13 ILE 612 15.287 7.347 -6.714 832 H GLN 613 HN GLN 613 20.388 4.725 -4.188 833 HA GLN 613 HA GLN 613 19.567 4.740 -1.353 834 HB2 GLN 613 HB2 GLN 613 22.101 3.646 -2.581 835 HB3 GLN 613 HB3 GLN 613 21.761 3.712 -0.859 836 HG2 GLN 613 HG2 GLN 613 19.881 2.199 -1.157 837 HG3 GLN 613 HG3 GLN 613 20.195 2.147 -2.893 838 HE21 GLN 613 HE21 GLN 613 21.313 1.178 0.251 839 HE22 GLN 613 HE22 GLN 613 22.447 -0.006 -0.297 840 H ASP 614 HN ASP 614 19.893 6.993 -3.156 841 HA ASP 614 HA ASP 614 21.410 8.705 -1.540 842 HB2 ASP 614 HB2 ASP 614 23.043 9.442 -3.291 843 HB3 ASP 614 HB3 ASP 614 23.360 7.842 -2.646 844 H ILE 615 HN ILE 615 20.222 10.369 -1.531 845 HA ILE 615 HA ILE 615 18.667 11.943 -2.015 846 HB ILE 615 HB ILE 615 19.350 11.548 -4.929 847 HG12 ILE 615 HG12 ILE 615 20.708 13.396 -2.952 848 HG13 ILE 615 HG13 ILE 615 21.396 11.876 -3.512 849 HG21 ILE 615 HG21 ILE 615 18.347 13.923 -3.367 850 HG22 ILE 615 HG22 ILE 615 17.381 12.913 -4.440 851 HG23 ILE 615 HG23 ILE 615 18.688 13.899 -5.097 852 HD11 ILE 615 HD11 ILE 615 20.729 14.247 -5.237 853 HD12 ILE 615 HD12 ILE 615 21.435 12.727 -5.788 854 HD13 ILE 615 HD13 ILE 615 22.338 13.773 -4.693 855 H HIS 616 HN HIS 616 16.979 10.617 -1.323 856 HA HIS 616 HA HIS 616 15.857 8.632 -3.097 857 HB2 HIS 616 HB2 HIS 616 15.119 9.500 -0.298 858 HB3 HIS 616 HB3 HIS 616 14.276 8.231 -1.176 859 HD1 HIS 616 HD1 HIS 616 14.946 6.290 0.305 860 HD2 HIS 616 HD2 HIS 616 18.207 8.486 -1.054 861 HE1 HIS 616 HE1 HIS 616 16.976 4.953 0.939 862 HE2 HIS 616 HE2 HIS 616 18.928 6.417 0.320 863 H SER 617 HN SER 617 15.626 11.704 -3.442 864 HA SER 617 HA SER 617 12.722 11.723 -3.912 865 HB2 SER 617 HB2 SER 617 13.715 13.498 -2.370 866 HB3 SER 617 HB3 SER 617 14.514 14.157 -3.795 867 HG SER 617 HG SER 617 11.884 13.722 -4.271 868 H GLN 618 HN GLN 618 15.251 10.813 -5.472 869 HA GLN 618 HA GLN 618 15.133 12.371 -7.887 870 HB2 GLN 618 HB2 GLN 618 16.464 9.764 -7.160 871 HB3 GLN 618 HB3 GLN 618 16.514 10.423 -8.788 872 HG2 GLN 618 HG2 GLN 618 17.537 11.814 -6.323 873 HG3 GLN 618 HG3 GLN 618 18.530 10.931 -7.480 874 HE21 GLN 618 HE21 GLN 618 16.686 13.812 -6.890 875 HE22 GLN 618 HE22 GLN 618 17.237 14.690 -8.274 876 H ARG 619 HN ARG 619 14.523 11.457 -9.962 877 HA ARG 619 HA ARG 619 11.977 10.165 -9.890 878 HB2 ARG 619 HB2 ARG 619 13.800 10.619 -12.261 879 HB3 ARG 619 HB3 ARG 619 12.082 10.253 -12.323 880 HG2 ARG 619 HG2 ARG 619 11.545 12.377 -11.332 881 HG3 ARG 619 HG3 ARG 619 13.258 12.736 -11.095 882 HD2 ARG 619 HD2 ARG 619 13.546 12.555 -13.577 883 HD3 ARG 619 HD3 ARG 619 11.790 12.445 -13.710 884 HE ARG 619 HE ARG 619 11.963 14.698 -12.390 885 HH11 ARG 619 HH11 ARG 619 13.984 13.584 -15.018 886 HH12 ARG 619 HH12 ARG 619 14.370 15.185 -15.566 887 HH21 ARG 619 HH21 ARG 619 12.466 16.800 -13.102 888 HH22 ARG 619 HH22 ARG 619 13.498 17.017 -14.480 889 H GLU 620 HN GLU 620 11.535 8.042 -9.968 890 HA GLU 620 HA GLU 620 13.622 6.140 -9.799 891 HB2 GLU 620 HB2 GLU 620 11.798 4.454 -9.874 892 HB3 GLU 620 HB3 GLU 620 11.546 5.704 -8.668 893 HG2 GLU 620 HG2 GLU 620 9.933 6.805 -10.088 894 HG3 GLU 620 HG3 GLU 620 10.249 5.653 -11.383 895 H ARG 621 HN ARG 621 14.862 5.544 -11.409 896 HA ARG 621 HA ARG 621 13.648 5.129 -14.053 897 HB2 ARG 621 HB2 ARG 621 16.457 6.123 -13.530 898 HB3 ARG 621 HB3 ARG 621 15.708 5.885 -15.103 899 HG2 ARG 621 HG2 ARG 621 14.034 7.629 -14.485 900 HG3 ARG 621 HG3 ARG 621 14.976 7.934 -13.025 901 HD2 ARG 621 HD2 ARG 621 15.938 8.214 -15.870 902 HD3 ARG 621 HD3 ARG 621 15.545 9.531 -14.766 903 HE ARG 621 HE ARG 621 17.496 7.954 -13.549 904 HH11 ARG 621 HH11 ARG 621 17.145 10.069 -16.312 905 HH12 ARG 621 HH12 ARG 621 18.827 10.491 -16.363 906 HH21 ARG 621 HH21 ARG 621 19.712 8.518 -13.604 907 HH22 ARG 621 HH22 ARG 621 20.285 9.612 -14.820 Start of MODEL 14 1 H1 GLY 510 HT1 GLY 510 19.443 -3.848 -3.583 2 H2 GLY 510 HT2 GLY 510 18.390 -5.144 -3.858 3 H3 GLY 510 HT3 GLY 510 17.930 -3.882 -2.832 4 HA2 GLY 510 HA1 GLY 510 17.857 -2.335 -4.651 5 HA3 GLY 510 HA2 GLY 510 18.446 -3.589 -5.737 6 H ALA 511 HN ALA 511 15.715 -2.130 -4.368 7 HA ALA 511 HA ALA 511 13.932 -3.827 -5.825 8 HB1 ALA 511 HB1 ALA 511 14.267 -5.205 -3.824 9 HB2 ALA 511 HB2 ALA 511 12.615 -4.595 -3.918 10 HB3 ALA 511 HB3 ALA 511 13.767 -3.852 -2.810 11 H MET 512 HN MET 512 11.656 -3.094 -5.541 12 HA MET 512 HA MET 512 11.519 -0.250 -5.638 13 HB2 MET 512 HB2 MET 512 10.092 -1.775 -7.003 14 HB3 MET 512 HB3 MET 512 9.253 -2.253 -5.535 15 HG2 MET 512 HG2 MET 512 8.425 -0.006 -5.230 16 HG3 MET 512 HG3 MET 512 9.345 0.551 -6.626 17 HE1 MET 512 HE1 MET 512 7.349 -2.841 -6.254 18 HE2 MET 512 HE2 MET 512 5.777 -2.375 -6.903 19 HE3 MET 512 HE3 MET 512 6.348 -1.674 -5.388 20 H ALA 513 HN ALA 513 11.495 -2.440 -3.118 21 HA ALA 513 HA ALA 513 9.830 -1.066 -1.263 22 HB1 ALA 513 HB1 ALA 513 12.089 -3.015 -0.821 23 HB2 ALA 513 HB2 ALA 513 10.370 -3.400 -0.914 24 HB3 ALA 513 HB3 ALA 513 10.990 -2.442 0.433 25 H GLN 514 HN GLN 514 10.372 1.100 -1.245 26 HA GLN 514 HA GLN 514 13.040 2.020 -0.845 27 HB2 GLN 514 HB2 GLN 514 10.368 3.395 -0.552 28 HB3 GLN 514 HB3 GLN 514 11.903 4.214 -0.299 29 HG2 GLN 514 HG2 GLN 514 12.539 3.619 -2.623 30 HG3 GLN 514 HG3 GLN 514 10.920 2.959 -2.851 31 HE21 GLN 514 HE21 GLN 514 10.465 4.436 -4.487 32 HE22 GLN 514 HE22 GLN 514 10.151 6.103 -4.159 33 H ARG 515 HN ARG 515 10.840 0.539 1.166 34 HA ARG 515 HA ARG 515 10.924 -0.077 3.333 35 HB2 ARG 515 HB2 ARG 515 13.486 1.501 3.442 36 HB3 ARG 515 HB3 ARG 515 12.901 0.420 4.704 37 HG2 ARG 515 HG2 ARG 515 12.841 -1.296 2.681 38 HG3 ARG 515 HG3 ARG 515 14.083 -0.205 2.061 39 HD2 ARG 515 HD2 ARG 515 15.134 -1.989 3.297 40 HD3 ARG 515 HD3 ARG 515 15.327 -0.475 4.180 41 HE ARG 515 HE ARG 515 13.220 -1.357 5.420 42 HH11 ARG 515 HH11 ARG 515 15.938 -3.249 4.302 43 HH12 ARG 515 HH12 ARG 515 15.757 -4.464 5.523 44 HH21 ARG 515 HH21 ARG 515 12.962 -2.964 7.020 45 HH22 ARG 515 HH22 ARG 515 14.059 -4.307 7.069 46 H LYS 516 HN LYS 516 11.705 3.333 2.820 47 HA LYS 516 HA LYS 516 10.233 4.276 5.061 48 HB2 LYS 516 HB2 LYS 516 10.878 5.593 2.416 49 HB3 LYS 516 HB3 LYS 516 10.085 6.413 3.749 50 HG2 LYS 516 HG2 LYS 516 12.087 5.965 5.144 51 HG3 LYS 516 HG3 LYS 516 12.874 5.291 3.715 52 HD2 LYS 516 HD2 LYS 516 13.548 7.605 4.014 53 HD3 LYS 516 HD3 LYS 516 12.570 7.446 2.556 54 HE2 LYS 516 HE2 LYS 516 10.605 8.237 3.817 55 HE3 LYS 516 HE3 LYS 516 11.616 8.436 5.244 56 HZ1 LYS 516 HZ1 LYS 516 12.925 10.074 4.027 57 HZ2 LYS 516 HZ2 LYS 516 11.298 10.527 4.096 58 HZ3 LYS 516 HZ3 LYS 516 11.933 9.881 2.671 59 H GLY 517 HN GLY 517 8.515 2.564 4.656 60 HA2 GLY 517 HA2 GLY 517 6.666 2.967 2.516 61 HA3 GLY 517 HA1 GLY 517 6.437 1.922 3.912 62 H ALA 518 HN ALA 518 6.838 5.401 3.384 63 HA ALA 518 HA ALA 518 5.555 7.207 3.879 64 HB1 ALA 518 HB1 ALA 518 3.716 6.046 2.847 65 HB2 ALA 518 HB2 ALA 518 3.141 6.885 4.290 66 HB3 ALA 518 HB3 ALA 518 3.416 5.144 4.331 67 H GLY 519 HN GLY 519 6.218 4.787 6.082 68 HA2 GLY 519 HA2 GLY 519 6.380 4.768 8.390 69 HA3 GLY 519 HA1 GLY 519 5.877 6.460 8.398 70 H ARG 520 HN ARG 520 3.908 4.644 6.459 71 HA ARG 520 HA ARG 520 2.003 3.813 8.474 72 HB2 ARG 520 HB2 ARG 520 1.381 6.001 6.457 73 HB3 ARG 520 HB3 ARG 520 0.166 5.143 7.400 74 HG2 ARG 520 HG2 ARG 520 1.151 6.019 9.464 75 HG3 ARG 520 HG3 ARG 520 2.353 6.888 8.511 76 HD2 ARG 520 HD2 ARG 520 0.584 8.166 7.427 77 HD3 ARG 520 HD3 ARG 520 -0.631 7.284 8.352 78 HE ARG 520 HE ARG 520 1.193 8.452 10.135 79 HH11 ARG 520 HH11 ARG 520 -1.366 9.375 7.920 80 HH12 ARG 520 HH12 ARG 520 -1.760 10.823 8.791 81 HH21 ARG 520 HH21 ARG 520 0.659 10.357 11.276 82 HH22 ARG 520 HH22 ARG 520 -0.613 11.382 10.686 83 H VAL 521 HN VAL 521 0.844 2.134 7.739 84 HA VAL 521 HA VAL 521 0.961 1.508 4.873 85 HB VAL 521 HB VAL 521 0.434 -0.298 7.244 86 HG11 VAL 521 HG11 VAL 521 0.239 -2.133 5.642 87 HG12 VAL 521 HG12 VAL 521 0.365 -0.987 4.307 88 HG13 VAL 521 HG13 VAL 521 -1.029 -0.934 5.387 89 HG21 VAL 521 HG21 VAL 521 2.436 -1.479 6.427 90 HG22 VAL 521 HG22 VAL 521 2.776 0.186 6.907 91 HG23 VAL 521 HG23 VAL 521 2.641 -0.230 5.197 92 H VAL 522 HN VAL 522 -0.950 1.265 3.730 93 HA VAL 522 HA VAL 522 -3.283 2.374 5.123 94 HB VAL 522 HB VAL 522 -2.764 2.043 2.162 95 HG11 VAL 522 HG11 VAL 522 -5.126 1.986 2.667 96 HG12 VAL 522 HG12 VAL 522 -4.694 3.494 1.861 97 HG13 VAL 522 HG13 VAL 522 -4.976 3.475 3.602 98 HG21 VAL 522 HG21 VAL 522 -2.665 4.501 3.898 99 HG22 VAL 522 HG22 VAL 522 -2.475 4.469 2.144 100 HG23 VAL 522 HG23 VAL 522 -1.277 3.686 3.176 101 H HIS 523 HN HIS 523 -5.020 1.126 5.564 102 HA HIS 523 HA HIS 523 -5.027 -1.547 4.361 103 HB2 HIS 523 HB2 HIS 523 -6.227 -2.403 6.264 104 HB3 HIS 523 HB3 HIS 523 -4.795 -1.563 6.826 105 HD1 HIS 523 HD1 HIS 523 -5.293 -0.441 8.966 106 HD2 HIS 523 HD2 HIS 523 -8.552 -0.340 6.387 107 HE1 HIS 523 HE1 HIS 523 -7.101 0.775 10.211 108 HE2 HIS 523 HE2 HIS 523 -9.120 0.633 8.727 109 H ILE 524 HN ILE 524 -6.748 -2.325 3.343 110 HA ILE 524 HA ILE 524 -8.947 -0.433 2.864 111 HB ILE 524 HB ILE 524 -7.800 -2.543 1.035 112 HG12 ILE 524 HG12 ILE 524 -7.879 0.473 0.821 113 HG13 ILE 524 HG13 ILE 524 -6.465 -0.479 1.257 114 HG21 ILE 524 HG21 ILE 524 -9.396 -1.605 -0.644 115 HG22 ILE 524 HG22 ILE 524 -10.190 -0.746 0.677 116 HG23 ILE 524 HG23 ILE 524 -10.153 -2.512 0.665 117 HD11 ILE 524 HD11 ILE 524 -6.405 -1.468 -0.924 118 HD12 ILE 524 HD12 ILE 524 -6.461 0.287 -1.081 119 HD13 ILE 524 HD13 ILE 524 -7.913 -0.674 -1.368 120 H CYS 525 HN CYS 525 -11.022 -1.124 3.032 121 HA CYS 525 HA CYS 525 -11.399 -3.829 4.129 122 HB2 CYS 525 HB2 CYS 525 -12.718 -1.271 5.060 123 HB3 CYS 525 HB3 CYS 525 -13.013 -2.878 5.712 124 HG CYS 525 HG CYS 525 -10.409 -3.191 6.697 125 H ASN 526 HN ASN 526 -13.816 -4.384 4.190 126 HA ASN 526 HA ASN 526 -15.754 -4.840 3.103 127 HB2 ASN 526 HB2 ASN 526 -15.344 -2.091 1.903 128 HB3 ASN 526 HB3 ASN 526 -16.815 -3.044 1.743 129 HD21 ASN 526 HD21 ASN 526 -16.439 -0.423 2.931 130 HD22 ASN 526 HD22 ASN 526 -16.982 -0.554 4.567 131 H LEU 527 HN LEU 527 -13.377 -5.835 2.041 132 HA LEU 527 HA LEU 527 -13.493 -5.467 -0.841 133 HB2 LEU 527 HB2 LEU 527 -11.631 -6.977 0.988 134 HB3 LEU 527 HB1 LEU 527 -11.509 -7.051 -0.760 135 HG LEU 527 HG LEU 527 -11.344 -4.466 0.787 136 HD11 LEU 527 HD11 LEU 527 -9.501 -5.971 1.435 137 HD12 LEU 527 HD12 LEU 527 -8.945 -4.564 0.524 138 HD13 LEU 527 HD13 LEU 527 -9.066 -6.141 -0.266 139 HD21 LEU 527 HD21 LEU 527 -11.969 -4.189 -1.516 140 HD22 LEU 527 HD22 LEU 527 -10.665 -5.253 -2.038 141 HD23 LEU 527 HD23 LEU 527 -10.290 -3.692 -1.310 142 HA PRO 528 HA PRO 528 -16.037 -9.173 -1.193 143 HB2 PRO 528 HB2 PRO 528 -16.057 -9.203 -3.928 144 HB3 PRO 528 HB3 PRO 528 -17.155 -8.226 -2.953 145 HG2 PRO 528 HG2 PRO 528 -14.650 -7.424 -4.364 146 HG3 PRO 528 HG3 PRO 528 -16.178 -6.539 -4.201 147 HD2 PRO 528 HD2 PRO 528 -13.984 -5.973 -2.710 148 HD3 PRO 528 HD3 PRO 528 -15.638 -5.750 -2.105 149 H GLU 529 HN GLU 529 -15.264 -11.152 -1.043 150 HA GLU 529 HA GLU 529 -12.627 -11.852 -1.791 151 HB2 GLU 529 HB2 GLU 529 -14.910 -13.722 -1.143 152 HB3 GLU 529 HB3 GLU 529 -13.194 -14.090 -1.061 153 HG2 GLU 529 HG2 GLU 529 -13.514 -13.682 1.127 154 HG3 GLU 529 HG3 GLU 529 -13.268 -12.012 0.619 155 H GLY 530 HN GLY 530 -11.858 -12.490 -3.697 156 HA2 GLY 530 HA2 GLY 530 -11.803 -13.839 -5.604 157 HA3 GLY 530 HA1 GLY 530 -13.523 -14.127 -5.427 158 H SER 531 HN SER 531 -13.717 -11.010 -5.172 159 HA SER 531 HA SER 531 -13.999 -10.697 -8.071 160 HB2 SER 531 HB2 SER 531 -15.945 -10.308 -6.465 161 HB3 SER 531 HB3 SER 531 -15.105 -8.843 -5.961 162 HG SER 531 HG SER 531 -15.786 -7.902 -7.707 163 H CYS 532 HN CYS 532 -12.545 -9.101 -5.253 164 HA CYS 532 HA CYS 532 -11.184 -7.207 -6.979 165 HB2 CYS 532 HB2 CYS 532 -10.995 -7.678 -3.998 166 HB3 CYS 532 HB3 CYS 532 -10.127 -6.416 -4.866 167 HG CYS 532 HG CYS 532 -11.976 -4.671 -4.601 168 H THR 533 HN THR 533 -9.105 -7.366 -7.665 169 HA THR 533 HA THR 533 -7.683 -9.825 -6.898 170 HB THR 533 HB THR 533 -6.375 -9.564 -8.944 171 HG1 THR 533 HG1 THR 533 -8.009 -7.262 -9.425 172 HG21 THR 533 HG21 THR 533 -8.136 -9.963 -10.592 173 HG22 THR 533 HG22 THR 533 -9.335 -9.306 -9.479 174 HG23 THR 533 HG23 THR 533 -8.486 -10.800 -9.080 175 H GLU 534 HN GLU 534 -5.219 -9.563 -6.940 176 HA GLU 534 HA GLU 534 -4.307 -7.748 -5.057 177 HB2 GLU 534 HB2 GLU 534 -2.694 -8.845 -7.368 178 HB3 GLU 534 HB3 GLU 534 -2.059 -8.237 -5.847 179 HG2 GLU 534 HG2 GLU 534 -2.945 -10.081 -4.647 180 HG3 GLU 534 HG3 GLU 534 -3.870 -10.623 -6.046 181 H ASN 535 HN ASN 535 -4.407 -7.505 -8.557 182 HA ASN 535 HA ASN 535 -2.921 -5.167 -8.863 183 HB2 ASN 535 HB2 ASN 535 -5.004 -6.494 -10.575 184 HB3 ASN 535 HB3 ASN 535 -4.231 -4.991 -11.067 185 HD21 ASN 535 HD21 ASN 535 -4.139 -7.736 -12.186 186 HD22 ASN 535 HD22 ASN 535 -2.455 -8.111 -12.293 187 H ASP 536 HN ASP 536 -6.442 -5.577 -8.419 188 HA ASP 536 HA ASP 536 -7.091 -2.877 -8.919 189 HB2 ASP 536 HB2 ASP 536 -8.574 -4.790 -7.099 190 HB3 ASP 536 HB3 ASP 536 -9.194 -3.272 -7.735 191 H VAL 537 HN VAL 537 -6.367 -4.597 -5.929 192 HA VAL 537 HA VAL 537 -6.855 -2.473 -4.156 193 HB VAL 537 HB VAL 537 -4.912 -4.769 -3.817 194 HG11 VAL 537 HG11 VAL 537 -4.696 -2.867 -2.201 195 HG12 VAL 537 HG12 VAL 537 -5.071 -4.430 -1.481 196 HG13 VAL 537 HG13 VAL 537 -6.342 -3.225 -1.674 197 HG21 VAL 537 HG21 VAL 537 -7.130 -5.587 -4.372 198 HG22 VAL 537 HG22 VAL 537 -7.839 -4.575 -3.112 199 HG23 VAL 537 HG23 VAL 537 -6.767 -5.907 -2.676 200 H ILE 538 HN ILE 538 -3.887 -3.588 -5.726 201 HA ILE 538 HA ILE 538 -2.174 -1.623 -4.626 202 HB ILE 538 HB ILE 538 -1.917 -3.271 -7.146 203 HG12 ILE 538 HG12 ILE 538 -0.636 -3.641 -4.431 204 HG13 ILE 538 HG13 ILE 538 -2.086 -4.487 -4.956 205 HG21 ILE 538 HG21 ILE 538 0.474 -2.755 -7.062 206 HG22 ILE 538 HG22 ILE 538 0.193 -1.673 -5.699 207 HG23 ILE 538 HG23 ILE 538 -0.492 -1.296 -7.280 208 HD11 ILE 538 HD11 ILE 538 0.633 -4.683 -6.225 209 HD12 ILE 538 HD12 ILE 538 -0.820 -5.528 -6.761 210 HD13 ILE 538 HD13 ILE 538 -0.126 -5.884 -5.180 211 H ASN 539 HN ASN 539 -4.050 -1.783 -7.619 212 HA ASN 539 HA ASN 539 -3.003 0.534 -8.821 213 HB2 ASN 539 HB2 ASN 539 -5.571 -0.969 -9.226 214 HB3 ASN 539 HB3 ASN 539 -5.239 0.520 -10.102 215 HD21 ASN 539 HD21 ASN 539 -5.616 -2.109 -11.175 216 HD22 ASN 539 HD22 ASN 539 -4.162 -2.521 -12.015 217 H LEU 540 HN LEU 540 -5.438 0.118 -6.371 218 HA LEU 540 HA LEU 540 -6.740 2.602 -6.763 219 HB2 LEU 540 HB2 LEU 540 -6.568 0.885 -4.300 220 HB3 LEU 540 HB1 LEU 540 -7.624 2.273 -4.477 221 HG LEU 540 HG LEU 540 -7.759 -0.326 -5.992 222 HD11 LEU 540 HD11 LEU 540 -8.676 -0.247 -3.687 223 HD12 LEU 540 HD12 LEU 540 -9.881 -0.580 -4.928 224 HD13 LEU 540 HD13 LEU 540 -9.774 1.032 -4.214 225 HD21 LEU 540 HD21 LEU 540 -9.692 0.630 -7.157 226 HD22 LEU 540 HD22 LEU 540 -8.213 1.510 -7.529 227 HD23 LEU 540 HD23 LEU 540 -9.380 2.188 -6.396 228 H GLY 541 HN GLY 541 -3.960 1.668 -4.800 229 HA2 GLY 541 HA2 GLY 541 -3.879 4.176 -3.402 230 HA3 GLY 541 HA1 GLY 541 -2.620 2.950 -3.410 231 H LEU 542 HN LEU 542 -2.323 2.846 -6.233 232 HA LEU 542 HA LEU 542 -0.158 4.499 -6.510 233 HB2 LEU 542 HB2 LEU 542 -1.878 3.279 -8.655 234 HB3 LEU 542 HB1 LEU 542 -0.341 4.057 -8.976 235 HG LEU 542 HG LEU 542 -0.687 1.662 -7.172 236 HD11 LEU 542 HD11 LEU 542 -1.210 1.121 -9.505 237 HD12 LEU 542 HD12 LEU 542 0.291 0.366 -8.974 238 HD13 LEU 542 HD13 LEU 542 0.339 1.799 -10.001 239 HD21 LEU 542 HD21 LEU 542 1.756 1.510 -7.375 240 HD22 LEU 542 HD22 LEU 542 1.241 3.000 -6.591 241 HD23 LEU 542 HD23 LEU 542 1.763 3.026 -8.275 242 HA PRO 543 HA PRO 543 -2.886 7.504 -9.397 243 HB2 PRO 543 HB2 PRO 543 -5.102 7.684 -7.375 244 HB3 PRO 543 HB3 PRO 543 -5.159 7.919 -9.135 245 HG2 PRO 543 HG2 PRO 543 -6.003 5.654 -8.129 246 HG3 PRO 543 HG3 PRO 543 -4.938 5.619 -9.552 247 HD2 PRO 543 HD2 PRO 543 -4.281 5.082 -6.680 248 HD3 PRO 543 HD3 PRO 543 -3.728 4.235 -8.139 249 H PHE 544 HN PHE 544 -2.975 7.749 -5.807 250 HA PHE 544 HA PHE 544 -2.059 10.526 -6.168 251 HB2 PHE 544 HB2 PHE 544 -3.557 9.264 -3.893 252 HB3 PHE 544 HB1 PHE 544 -2.761 10.828 -3.745 253 HD1 PHE 544 HD1 PHE 544 -5.482 8.976 -5.368 254 HD2 PHE 544 HD2 PHE 544 -3.643 12.773 -4.821 255 HE1 PHE 544 HE1 PHE 544 -7.452 10.069 -6.350 256 HE2 PHE 544 HE2 PHE 544 -5.612 13.872 -5.802 257 HZ PHE 544 HZ PHE 544 -7.520 12.520 -6.569 258 H GLY 545 HN GLY 545 -1.093 7.471 -5.039 259 HA2 GLY 545 HA2 GLY 545 1.376 8.670 -3.964 260 HA3 GLY 545 HA1 GLY 545 0.574 7.332 -3.160 261 H LYS 546 HN LYS 546 2.385 6.054 -3.320 262 HA LYS 546 HA LYS 546 2.518 4.599 -5.833 263 HB2 LYS 546 HB2 LYS 546 4.378 6.203 -5.980 264 HB3 LYS 546 HB3 LYS 546 4.981 5.645 -4.424 265 HG2 LYS 546 HG2 LYS 546 5.297 3.391 -5.407 266 HG3 LYS 546 HG3 LYS 546 4.808 4.048 -6.971 267 HD2 LYS 546 HD2 LYS 546 6.682 5.644 -6.861 268 HD3 LYS 546 HD3 LYS 546 7.188 4.918 -5.334 269 HE2 LYS 546 HE2 LYS 546 8.493 4.044 -7.204 270 HE3 LYS 546 HE3 LYS 546 7.524 2.776 -6.454 271 HZ1 LYS 546 HZ1 LYS 546 5.936 2.936 -8.228 272 HZ2 LYS 546 HZ2 LYS 546 7.472 2.721 -8.900 273 HZ3 LYS 546 HZ3 LYS 546 6.752 4.247 -8.913 274 H VAL 547 HN VAL 547 3.024 2.423 -5.539 275 HA VAL 547 HA VAL 547 2.859 1.513 -2.776 276 HB VAL 547 HB VAL 547 2.320 0.056 -5.370 277 HG11 VAL 547 HG11 VAL 547 3.203 -1.456 -3.677 278 HG12 VAL 547 HG12 VAL 547 1.493 -1.770 -3.978 279 HG13 VAL 547 HG13 VAL 547 1.989 -0.894 -2.528 280 HG21 VAL 547 HG21 VAL 547 -0.018 0.076 -4.595 281 HG22 VAL 547 HG22 VAL 547 0.616 1.699 -4.857 282 HG23 VAL 547 HG23 VAL 547 0.463 1.067 -3.219 283 H THR 548 HN THR 548 4.510 0.552 -1.833 284 HA THR 548 HA THR 548 6.818 -0.268 -3.448 285 HB THR 548 HB THR 548 7.975 -0.323 -1.195 286 HG1 THR 548 HG1 THR 548 6.689 -0.142 0.476 287 HG21 THR 548 HG21 THR 548 8.183 2.112 -1.016 288 HG22 THR 548 HG22 THR 548 6.765 2.308 -2.046 289 HG23 THR 548 HG23 THR 548 8.236 1.587 -2.699 290 H ASN 549 HN ASN 549 4.561 -1.409 -1.004 291 HA ASN 549 HA ASN 549 5.070 -4.172 -1.746 292 HB2 ASN 549 HB2 ASN 549 5.442 -3.142 1.072 293 HB3 ASN 549 HB3 ASN 549 5.178 -4.840 0.699 294 HD21 ASN 549 HD21 ASN 549 7.426 -2.299 0.891 295 HD22 ASN 549 HD22 ASN 549 8.811 -3.182 0.355 296 H TYR 550 HN TYR 550 3.445 -5.634 -0.687 297 HA TYR 550 HA TYR 550 1.104 -4.294 0.395 298 HB2 TYR 550 HB2 TYR 550 -0.443 -5.173 -1.203 299 HB3 TYR 550 HB3 TYR 550 0.830 -4.373 -2.116 300 HD1 TYR 550 HD1 TYR 550 -1.083 -7.317 -1.827 301 HD2 TYR 550 HD2 TYR 550 2.779 -5.928 -2.918 302 HE1 TYR 550 HE1 TYR 550 -0.725 -9.368 -3.134 303 HE2 TYR 550 HE2 TYR 550 3.150 -7.969 -4.232 304 HH TYR 550 HH TYR 550 2.378 -10.201 -4.423 305 H ILE 551 HN ILE 551 -0.227 -5.652 1.601 306 HA ILE 551 HA ILE 551 0.482 -8.500 1.710 307 HB ILE 551 HB ILE 551 0.212 -6.644 4.081 308 HG12 ILE 551 HG12 ILE 551 2.262 -8.691 3.213 309 HG13 ILE 551 HG13 ILE 551 2.465 -6.945 3.282 310 HG21 ILE 551 HG21 ILE 551 -1.303 -8.529 4.465 311 HG22 ILE 551 HG22 ILE 551 0.089 -8.596 5.545 312 HG23 ILE 551 HG23 ILE 551 0.013 -9.657 4.140 313 HD11 ILE 551 HD11 ILE 551 3.610 -7.999 5.124 314 HD12 ILE 551 HD12 ILE 551 2.122 -8.798 5.628 315 HD13 ILE 551 HD13 ILE 551 2.258 -7.044 5.731 316 H LEU 552 HN LEU 552 -1.252 -9.717 1.395 317 HA LEU 552 HA LEU 552 -3.881 -8.429 1.680 318 HB2 LEU 552 HB2 LEU 552 -2.867 -10.504 -0.242 319 HB3 LEU 552 HB1 LEU 552 -4.578 -10.183 -0.026 320 HG LEU 552 HG LEU 552 -2.602 -8.047 -0.813 321 HD11 LEU 552 HD11 LEU 552 -3.356 -8.336 -3.094 322 HD12 LEU 552 HD12 LEU 552 -4.440 -9.638 -2.605 323 HD13 LEU 552 HD13 LEU 552 -2.693 -9.862 -2.506 324 HD21 LEU 552 HD21 LEU 552 -4.622 -7.205 0.170 325 HD22 LEU 552 HD22 LEU 552 -5.603 -8.226 -0.882 326 HD23 LEU 552 HD23 LEU 552 -4.649 -6.907 -1.568 327 H MET 553 HN MET 553 -4.920 -9.097 3.431 328 HA MET 553 HA MET 553 -4.750 -11.954 4.127 329 HB2 MET 553 HB2 MET 553 -5.748 -9.658 5.829 330 HB3 MET 553 HB3 MET 553 -5.586 -11.332 6.340 331 HG2 MET 553 HG2 MET 553 -3.146 -11.161 5.981 332 HG3 MET 553 HG3 MET 553 -3.355 -9.453 5.595 333 HE1 MET 553 HE1 MET 553 -1.749 -8.539 7.447 334 HE2 MET 553 HE2 MET 553 -1.309 -10.221 7.743 335 HE3 MET 553 HE3 MET 553 -1.718 -9.164 9.095 336 H LYS 554 HN LYS 554 -6.204 -12.612 2.542 337 HA LYS 554 HA LYS 554 -8.708 -11.360 2.106 338 HB2 LYS 554 HB2 LYS 554 -7.652 -14.078 1.339 339 HB3 LYS 554 HB3 LYS 554 -9.225 -13.477 0.835 340 HG2 LYS 554 HG2 LYS 554 -6.622 -12.088 0.231 341 HG3 LYS 554 HG3 LYS 554 -7.428 -13.214 -0.864 342 HD2 LYS 554 HD2 LYS 554 -9.443 -11.722 -0.757 343 HD3 LYS 554 HD3 LYS 554 -8.456 -10.562 0.133 344 HE2 LYS 554 HE2 LYS 554 -8.557 -10.029 -2.259 345 HE3 LYS 554 HE3 LYS 554 -6.915 -10.404 -1.737 346 HZ1 LYS 554 HZ1 LYS 554 -7.508 -11.458 -3.856 347 HZ2 LYS 554 HZ2 LYS 554 -8.738 -12.324 -3.082 348 HZ3 LYS 554 HZ3 LYS 554 -7.120 -12.594 -2.668 349 H SER 555 HN SER 555 -7.620 -13.861 4.252 350 HA SER 555 HA SER 555 -10.097 -15.048 4.846 351 HB2 SER 555 HB2 SER 555 -8.945 -15.868 6.895 352 HB3 SER 555 HB3 SER 555 -8.009 -16.135 5.424 353 HG SER 555 HG SER 555 -6.545 -14.747 6.079 354 H THR 556 HN THR 556 -8.483 -12.204 6.159 355 HA THR 556 HA THR 556 -10.620 -11.872 8.125 356 HB THR 556 HB THR 556 -9.201 -10.070 9.057 357 HG1 THR 556 HG1 THR 556 -7.599 -9.333 7.901 358 HG21 THR 556 HG21 THR 556 -7.787 -12.707 8.664 359 HG22 THR 556 HG22 THR 556 -8.974 -12.342 9.914 360 HG23 THR 556 HG23 THR 556 -7.413 -11.520 9.913 361 H ASN 557 HN ASN 557 -10.447 -11.254 5.053 362 HA ASN 557 HA ASN 557 -11.353 -9.773 3.578 363 HB2 ASN 557 HB2 ASN 557 -13.268 -10.123 5.269 364 HB3 ASN 557 HB3 ASN 557 -12.810 -8.550 5.910 365 HD21 ASN 557 HD21 ASN 557 -14.182 -10.268 3.266 366 HD22 ASN 557 HD22 ASN 557 -14.833 -8.906 2.422 367 H GLN 558 HN GLN 558 -8.847 -9.039 4.500 368 HA GLN 558 HA GLN 558 -9.082 -6.116 4.649 369 HB2 GLN 558 HB2 GLN 558 -7.379 -7.869 6.422 370 HB3 GLN 558 HB3 GLN 558 -7.206 -6.123 6.310 371 HG2 GLN 558 HG2 GLN 558 -9.835 -7.371 7.030 372 HG3 GLN 558 HG3 GLN 558 -8.574 -7.113 8.244 373 HE21 GLN 558 HE21 GLN 558 -7.993 -5.016 8.798 374 HE22 GLN 558 HE22 GLN 558 -9.008 -3.662 8.446 375 H ALA 559 HN ALA 559 -7.416 -4.967 3.721 376 HA ALA 559 HA ALA 559 -5.228 -6.506 2.505 377 HB1 ALA 559 HB1 ALA 559 -6.707 -4.262 1.134 378 HB2 ALA 559 HB2 ALA 559 -6.929 -5.975 0.784 379 HB3 ALA 559 HB3 ALA 559 -5.371 -5.207 0.474 380 H PHE 560 HN PHE 560 -3.257 -5.479 2.478 381 HA PHE 560 HA PHE 560 -3.139 -2.843 3.777 382 HB2 PHE 560 HB2 PHE 560 -1.177 -5.122 4.134 383 HB3 PHE 560 HB1 PHE 560 -1.101 -3.550 4.921 384 HD1 PHE 560 HD1 PHE 560 -2.866 -6.767 4.798 385 HD2 PHE 560 HD2 PHE 560 -2.482 -3.036 6.806 386 HE1 PHE 560 HE1 PHE 560 -4.204 -7.635 6.671 387 HE2 PHE 560 HE2 PHE 560 -3.813 -3.904 8.681 388 HZ PHE 560 HZ PHE 560 -4.691 -6.222 8.596 389 H LEU 561 HN LEU 561 -2.079 -1.350 2.647 390 HA LEU 561 HA LEU 561 -0.341 -2.253 0.446 391 HB2 LEU 561 HB2 LEU 561 -2.698 -1.415 -0.142 392 HB3 LEU 561 HB1 LEU 561 -2.116 0.172 0.321 393 HG LEU 561 HG LEU 561 -0.445 0.115 -1.446 394 HD11 LEU 561 HD11 LEU 561 -1.568 -2.622 -2.047 395 HD12 LEU 561 HD12 LEU 561 0.056 -2.257 -1.462 396 HD13 LEU 561 HD13 LEU 561 -0.437 -1.740 -3.073 397 HD21 LEU 561 HD21 LEU 561 -2.781 0.874 -1.909 398 HD22 LEU 561 HD22 LEU 561 -3.123 -0.734 -2.543 399 HD23 LEU 561 HD23 LEU 561 -1.917 0.287 -3.328 400 H GLU 562 HN GLU 562 1.617 -1.294 0.347 401 HA GLU 562 HA GLU 562 2.207 0.718 2.403 402 HB2 GLU 562 HB2 GLU 562 3.516 -1.445 2.291 403 HB3 GLU 562 HB3 GLU 562 4.168 -0.873 0.760 404 HG2 GLU 562 HG2 GLU 562 5.159 1.040 1.863 405 HG3 GLU 562 HG3 GLU 562 4.461 0.538 3.402 406 H MET 563 HN MET 563 3.105 2.665 1.917 407 HA MET 563 HA MET 563 3.080 3.348 -0.942 408 HB2 MET 563 HB2 MET 563 2.563 5.205 1.377 409 HB3 MET 563 HB3 MET 563 2.328 5.546 -0.334 410 HG2 MET 563 HG2 MET 563 0.764 3.657 1.398 411 HG3 MET 563 HG3 MET 563 0.199 5.131 0.622 412 HE1 MET 563 HE1 MET 563 -1.766 2.277 -1.195 413 HE2 MET 563 HE2 MET 563 -1.882 3.718 -0.183 414 HE3 MET 563 HE3 MET 563 -1.224 2.219 0.482 415 H ALA 564 HN ALA 564 4.748 4.401 -1.812 416 HA ALA 564 HA ALA 564 7.282 4.000 -0.702 417 HB1 ALA 564 HB1 ALA 564 8.146 5.147 -2.643 418 HB2 ALA 564 HB2 ALA 564 6.559 5.842 -2.972 419 HB3 ALA 564 HB3 ALA 564 6.805 4.102 -3.115 420 H TYR 565 HN TYR 565 5.149 6.688 -0.389 421 HA TYR 565 HA TYR 565 7.217 8.113 1.107 422 HB2 TYR 565 HB2 TYR 565 5.460 9.331 -1.032 423 HB3 TYR 565 HB3 TYR 565 6.386 10.275 0.129 424 HD1 TYR 565 HD1 TYR 565 6.597 8.065 -2.798 425 HD2 TYR 565 HD2 TYR 565 8.774 10.487 -0.065 426 HE1 TYR 565 HE1 TYR 565 8.566 7.941 -4.266 427 HE2 TYR 565 HE2 TYR 565 10.745 10.372 -1.524 428 HH TYR 565 HH TYR 565 11.658 8.906 -3.236 429 H THR 566 HN THR 566 6.462 9.346 2.817 430 HA THR 566 HA THR 566 4.097 8.538 4.070 431 HB THR 566 HB THR 566 6.013 9.548 5.271 432 HG1 THR 566 HG1 THR 566 4.142 9.495 6.436 433 HG21 THR 566 HG21 THR 566 6.541 11.388 3.770 434 HG22 THR 566 HG22 THR 566 6.214 11.997 5.393 435 HG23 THR 566 HG23 THR 566 4.992 12.151 4.131 436 H GLU 567 HN GLU 567 4.774 11.280 2.026 437 HA GLU 567 HA GLU 567 2.246 12.526 2.173 438 HB2 GLU 567 HB2 GLU 567 2.964 13.617 0.017 439 HB3 GLU 567 HB3 GLU 567 4.074 13.825 1.364 440 HG2 GLU 567 HG2 GLU 567 5.525 12.115 0.488 441 HG3 GLU 567 HG3 GLU 567 4.384 11.769 -0.811 442 H ALA 568 HN ALA 568 3.549 9.955 0.209 443 HA ALA 568 HA ALA 568 1.534 9.877 -1.745 444 HB1 ALA 568 HB1 ALA 568 2.296 7.584 -2.159 445 HB2 ALA 568 HB2 ALA 568 3.198 7.602 -0.643 446 HB3 ALA 568 HB3 ALA 568 3.665 8.677 -1.960 447 H ALA 569 HN ALA 569 1.895 8.203 1.351 448 HA ALA 569 HA ALA 569 -0.536 6.761 1.172 449 HB1 ALA 569 HB1 ALA 569 0.999 7.498 3.654 450 HB2 ALA 569 HB2 ALA 569 1.367 6.124 2.613 451 HB3 ALA 569 HB3 ALA 569 -0.167 6.188 3.476 452 H GLN 570 HN GLN 570 0.342 9.788 2.804 453 HA GLN 570 HA GLN 570 -2.185 10.079 4.063 454 HB2 GLN 570 HB2 GLN 570 -0.019 12.114 3.512 455 HB3 GLN 570 HB3 GLN 570 -1.426 12.405 4.527 456 HG2 GLN 570 HG2 GLN 570 -0.719 10.645 6.045 457 HG3 GLN 570 HG3 GLN 570 0.671 10.301 5.017 458 HE21 GLN 570 HE21 GLN 570 2.377 11.760 4.948 459 HE22 GLN 570 HE22 GLN 570 2.595 12.972 6.160 460 H ALA 571 HN ALA 571 -0.783 11.498 1.114 461 HA ALA 571 HA ALA 571 -2.880 13.288 0.588 462 HB1 ALA 571 HB1 ALA 571 -1.987 13.381 -1.702 463 HB2 ALA 571 HB2 ALA 571 -0.954 11.994 -1.340 464 HB3 ALA 571 HB3 ALA 571 -0.721 13.518 -0.483 465 H MET 572 HN MET 572 -2.357 9.946 -0.476 466 HA MET 572 HA MET 572 -4.578 9.939 -2.236 467 HB2 MET 572 HB2 MET 572 -4.211 7.621 -2.521 468 HB3 MET 572 HB3 MET 572 -2.623 8.334 -2.309 469 HG2 MET 572 HG2 MET 572 -2.491 7.521 -0.061 470 HG3 MET 572 HG3 MET 572 -4.164 6.970 -0.118 471 HE1 MET 572 HE1 MET 572 -0.507 6.416 -1.344 472 HE2 MET 572 HE2 MET 572 -1.358 6.713 -2.860 473 HE3 MET 572 HE3 MET 572 -0.703 5.112 -2.517 474 H VAL 573 HN VAL 573 -4.146 8.815 1.093 475 HA VAL 573 HA VAL 573 -6.732 7.710 1.291 476 HB VAL 573 HB VAL 573 -4.814 8.507 3.476 477 HG11 VAL 573 HG11 VAL 573 -7.015 8.449 4.413 478 HG12 VAL 573 HG12 VAL 573 -6.212 6.941 4.852 479 HG13 VAL 573 HG13 VAL 573 -7.397 6.961 3.549 480 HG21 VAL 573 HG21 VAL 573 -3.994 6.771 1.951 481 HG22 VAL 573 HG22 VAL 573 -5.473 5.843 2.218 482 HG23 VAL 573 HG23 VAL 573 -4.343 6.103 3.548 483 H GLN 574 HN GLN 574 -5.440 10.910 2.086 484 HA GLN 574 HA GLN 574 -7.700 11.890 3.426 485 HB2 GLN 574 HB2 GLN 574 -5.686 13.296 1.667 486 HB3 GLN 574 HB3 GLN 574 -6.954 14.150 2.534 487 HG2 GLN 574 HG2 GLN 574 -4.832 12.446 3.816 488 HG3 GLN 574 HG3 GLN 574 -4.784 14.203 3.685 489 HE21 GLN 574 HE21 GLN 574 -6.276 11.484 5.238 490 HE22 GLN 574 HE22 GLN 574 -7.063 12.371 6.493 491 H TYR 575 HN TYR 575 -6.945 11.656 -0.009 492 HA TYR 575 HA TYR 575 -9.397 12.765 -0.908 493 HB2 TYR 575 HB2 TYR 575 -7.373 12.549 -2.342 494 HB3 TYR 575 HB3 TYR 575 -7.613 10.804 -2.357 495 HD1 TYR 575 HD1 TYR 575 -9.116 14.029 -3.393 496 HD2 TYR 575 HD2 TYR 575 -9.169 9.797 -3.820 497 HE1 TYR 575 HE1 TYR 575 -10.614 14.249 -5.330 498 HE2 TYR 575 HE2 TYR 575 -10.668 10.006 -5.756 499 HH TYR 575 HH TYR 575 -12.256 11.578 -6.693 500 H TYR 576 HN TYR 576 -8.321 9.409 -0.375 501 HA TYR 576 HA TYR 576 -10.738 8.318 -1.423 502 HB2 TYR 576 HB2 TYR 576 -8.589 6.978 0.213 503 HB3 TYR 576 HB3 TYR 576 -9.892 6.149 -0.635 504 HD1 TYR 576 HD1 TYR 576 -6.722 6.095 -0.891 505 HD2 TYR 576 HD2 TYR 576 -9.881 7.808 -3.166 506 HE1 TYR 576 HE1 TYR 576 -5.316 6.009 -2.898 507 HE2 TYR 576 HE2 TYR 576 -8.482 7.730 -5.183 508 HH TYR 576 HH TYR 576 -5.646 5.941 -5.371 509 H GLN 577 HN GLN 577 -9.915 9.469 1.711 510 HA GLN 577 HA GLN 577 -12.003 7.975 2.996 511 HB2 GLN 577 HB2 GLN 577 -10.250 10.257 3.862 512 HB3 GLN 577 HB3 GLN 577 -11.618 9.741 4.847 513 HG2 GLN 577 HG2 GLN 577 -10.660 7.513 5.000 514 HG3 GLN 577 HG3 GLN 577 -9.321 8.009 3.966 515 HE21 GLN 577 HE21 GLN 577 -9.345 7.002 6.715 516 HE22 GLN 577 HE22 GLN 577 -8.519 8.187 7.653 517 H GLU 578 HN GLU 578 -11.764 10.954 1.258 518 HA GLU 578 HA GLU 578 -14.464 11.736 2.075 519 HB2 GLU 578 HB2 GLU 578 -12.322 13.167 0.499 520 HB3 GLU 578 HB3 GLU 578 -13.955 13.796 0.685 521 HG2 GLU 578 HG2 GLU 578 -12.068 13.187 2.951 522 HG3 GLU 578 HG3 GLU 578 -12.351 14.788 2.264 523 H LYS 579 HN LYS 579 -12.585 10.885 -0.780 524 HA LYS 579 HA LYS 579 -15.099 10.060 -2.073 525 HB2 LYS 579 HB2 LYS 579 -12.716 11.343 -3.426 526 HB3 LYS 579 HB3 LYS 579 -14.068 10.606 -4.271 527 HG2 LYS 579 HG2 LYS 579 -15.541 12.266 -3.011 528 HG3 LYS 579 HG3 LYS 579 -14.039 13.104 -2.615 529 HD2 LYS 579 HD2 LYS 579 -14.968 14.119 -4.578 530 HD3 LYS 579 HD3 LYS 579 -13.535 13.208 -5.056 531 HE2 LYS 579 HE2 LYS 579 -14.949 11.361 -5.802 532 HE3 LYS 579 HE3 LYS 579 -16.385 12.248 -5.300 533 HZ1 LYS 579 HZ1 LYS 579 -14.477 13.087 -7.413 534 HZ2 LYS 579 HZ2 LYS 579 -15.847 13.951 -6.928 535 HZ3 LYS 579 HZ3 LYS 579 -16.020 12.442 -7.666 536 HA PRO 580 HA PRO 580 -12.269 6.498 -1.466 537 HB2 PRO 580 HB2 PRO 580 -14.828 5.057 -1.217 538 HB3 PRO 580 HB3 PRO 580 -13.466 5.149 -0.087 539 HG2 PRO 580 HG2 PRO 580 -15.776 6.398 0.448 540 HG3 PRO 580 HG3 PRO 580 -14.214 7.142 0.863 541 HD2 PRO 580 HD2 PRO 580 -15.975 7.663 -1.515 542 HD3 PRO 580 HD3 PRO 580 -15.194 8.826 -0.417 543 H ALA 581 HN ALA 581 -12.093 4.431 -2.638 544 HA ALA 581 HA ALA 581 -12.722 4.967 -5.434 545 HB1 ALA 581 HB1 ALA 581 -11.017 3.338 -5.960 546 HB2 ALA 581 HB2 ALA 581 -10.904 2.855 -4.267 547 HB3 ALA 581 HB3 ALA 581 -10.389 4.470 -4.760 548 H ILE 582 HN ILE 582 -13.758 3.499 -6.780 549 HA ILE 582 HA ILE 582 -15.537 1.698 -5.275 550 HB ILE 582 HB ILE 582 -16.189 3.360 -7.715 551 HG12 ILE 582 HG12 ILE 582 -16.956 3.670 -4.809 552 HG13 ILE 582 HG13 ILE 582 -15.924 4.743 -5.732 553 HG21 ILE 582 HG21 ILE 582 -18.498 2.649 -7.334 554 HG22 ILE 582 HG22 ILE 582 -17.960 1.609 -6.013 555 HG23 ILE 582 HG23 ILE 582 -17.443 1.275 -7.667 556 HD11 ILE 582 HD11 ILE 582 -17.809 5.381 -7.125 557 HD12 ILE 582 HD12 ILE 582 -18.149 5.670 -5.418 558 HD13 ILE 582 HD13 ILE 582 -18.851 4.274 -6.233 559 H ILE 583 HN ILE 583 -15.397 -0.365 -5.792 560 HA ILE 583 HA ILE 583 -14.769 -1.062 -8.592 561 HB ILE 583 HB ILE 583 -14.046 -2.586 -6.082 562 HG12 ILE 583 HG12 ILE 583 -11.738 -2.484 -7.205 563 HG13 ILE 583 HG13 ILE 583 -12.432 -1.241 -8.239 564 HG21 ILE 583 HG21 ILE 583 -13.801 -3.490 -8.946 565 HG22 ILE 583 HG22 ILE 583 -14.855 -4.178 -7.710 566 HG23 ILE 583 HG23 ILE 583 -13.103 -4.316 -7.553 567 HD11 ILE 583 HD11 ILE 583 -11.199 -0.292 -6.378 568 HD12 ILE 583 HD12 ILE 583 -12.254 -1.131 -5.243 569 HD13 ILE 583 HD13 ILE 583 -12.909 0.125 -6.293 570 H ASN 584 HN ASN 584 -16.351 -2.051 -9.643 571 HA ASN 584 HA ASN 584 -18.285 -3.137 -10.131 572 HB2 ASN 584 HB2 ASN 584 -17.818 -4.563 -7.502 573 HB3 ASN 584 HB3 ASN 584 -18.921 -5.080 -8.768 574 HD21 ASN 584 HD21 ASN 584 -17.009 -4.304 -10.880 575 HD22 ASN 584 HD22 ASN 584 -15.806 -5.542 -10.883 576 H GLY 585 HN GLY 585 -18.418 -0.644 -8.755 577 HA2 GLY 585 HA2 GLY 585 -20.147 0.698 -8.013 578 HA3 GLY 585 HA1 GLY 585 -21.178 -0.725 -7.959 579 H GLU 586 HN GLU 586 -18.341 -1.329 -6.311 580 HA GLU 586 HA GLU 586 -19.671 -0.848 -3.741 581 HB2 GLU 586 HB2 GLU 586 -17.333 -2.642 -4.440 582 HB3 GLU 586 HB3 GLU 586 -18.078 -2.506 -2.845 583 HG2 GLU 586 HG2 GLU 586 -20.211 -3.291 -3.854 584 HG3 GLU 586 HG3 GLU 586 -19.336 -3.554 -5.362 585 H LYS 587 HN LYS 587 -18.932 0.691 -2.432 586 HA LYS 587 HA LYS 587 -16.571 2.173 -3.184 587 HB2 LYS 587 HB2 LYS 587 -18.497 2.525 -0.882 588 HB3 LYS 587 HB3 LYS 587 -17.159 3.608 -1.231 589 HG2 LYS 587 HG2 LYS 587 -18.186 4.073 -3.445 590 HG3 LYS 587 HG3 LYS 587 -19.570 3.093 -2.955 591 HD2 LYS 587 HD2 LYS 587 -19.972 4.582 -1.064 592 HD3 LYS 587 HD3 LYS 587 -18.565 5.547 -1.512 593 HE2 LYS 587 HE2 LYS 587 -19.659 6.033 -3.685 594 HE3 LYS 587 HE3 LYS 587 -21.085 5.167 -3.119 595 HZ1 LYS 587 HZ1 LYS 587 -21.326 6.759 -1.335 596 HZ2 LYS 587 HZ2 LYS 587 -21.289 7.563 -2.821 597 HZ3 LYS 587 HZ3 LYS 587 -19.927 7.571 -1.824 598 H LEU 588 HN LEU 588 -14.633 1.472 -2.611 599 HA LEU 588 HA LEU 588 -14.285 -0.029 -0.138 600 HB2 LEU 588 HB2 LEU 588 -12.245 0.857 -2.178 601 HB3 LEU 588 HB1 LEU 588 -11.932 -0.190 -0.811 602 HG LEU 588 HG LEU 588 -13.536 -0.817 -3.276 603 HD11 LEU 588 HD11 LEU 588 -11.048 -1.973 -2.031 604 HD12 LEU 588 HD12 LEU 588 -11.132 -0.983 -3.485 605 HD13 LEU 588 HD13 LEU 588 -11.846 -2.597 -3.477 606 HD21 LEU 588 HD21 LEU 588 -13.239 -2.460 -0.757 607 HD22 LEU 588 HD22 LEU 588 -13.952 -3.021 -2.270 608 HD23 LEU 588 HD23 LEU 588 -14.730 -1.730 -1.354 609 H LEU 589 HN LEU 589 -13.863 0.999 1.708 610 HA LEU 589 HA LEU 589 -12.999 3.750 1.637 611 HB2 LEU 589 HB2 LEU 589 -14.609 2.941 3.345 612 HB3 LEU 589 HB1 LEU 589 -13.363 1.898 3.999 613 HG LEU 589 HG LEU 589 -12.029 3.866 4.617 614 HD11 LEU 589 HD11 LEU 589 -14.381 5.438 3.574 615 HD12 LEU 589 HD12 LEU 589 -12.758 5.403 2.884 616 HD13 LEU 589 HD13 LEU 589 -13.022 6.103 4.480 617 HD21 LEU 589 HD21 LEU 589 -13.480 4.675 6.411 618 HD22 LEU 589 HD22 LEU 589 -13.579 2.924 6.234 619 HD23 LEU 589 HD23 LEU 589 -14.874 3.947 5.612 620 H ILE 590 HN ILE 590 -10.990 4.068 1.066 621 HA ILE 590 HA ILE 590 -8.867 2.282 1.987 622 HB ILE 590 HB ILE 590 -8.688 4.746 0.235 623 HG12 ILE 590 HG12 ILE 590 -8.855 1.844 -0.581 624 HG13 ILE 590 HG13 ILE 590 -10.086 3.067 -0.831 625 HG21 ILE 590 HG21 ILE 590 -6.515 3.832 -0.449 626 HG22 ILE 590 HG22 ILE 590 -6.716 2.521 0.715 627 HG23 ILE 590 HG23 ILE 590 -6.577 4.186 1.277 628 HD11 ILE 590 HD11 ILE 590 -8.550 4.298 -2.308 629 HD12 ILE 590 HD12 ILE 590 -8.883 2.665 -2.884 630 HD13 ILE 590 HD13 ILE 590 -7.351 3.022 -2.089 631 H ARG 591 HN ARG 591 -7.898 2.708 3.875 632 HA ARG 591 HA ARG 591 -7.775 5.479 4.827 633 HB2 ARG 591 HB2 ARG 591 -8.656 4.685 7.075 634 HB3 ARG 591 HB3 ARG 591 -9.824 4.853 5.773 635 HG2 ARG 591 HG2 ARG 591 -9.677 2.414 5.384 636 HG3 ARG 591 HG3 ARG 591 -8.605 2.291 6.781 637 HD2 ARG 591 HD2 ARG 591 -10.348 3.152 8.230 638 HD3 ARG 591 HD3 ARG 591 -11.413 3.393 6.847 639 HE ARG 591 HE ARG 591 -10.725 0.713 6.844 640 HH11 ARG 591 HH11 ARG 591 -12.404 2.934 8.962 641 HH12 ARG 591 HH12 ARG 591 -13.416 1.709 9.658 642 HH21 ARG 591 HH21 ARG 591 -12.067 -0.911 7.770 643 HH22 ARG 591 HH22 ARG 591 -13.235 -0.462 8.973 644 H MET 592 HN MET 592 -6.409 5.838 6.662 645 HA MET 592 HA MET 592 -3.910 4.503 6.243 646 HB2 MET 592 HB2 MET 592 -4.608 6.531 8.382 647 HB3 MET 592 HB3 MET 592 -3.004 6.132 7.797 648 HG2 MET 592 HG2 MET 592 -4.505 6.986 5.557 649 HG3 MET 592 HG3 MET 592 -4.827 8.112 6.869 650 HE1 MET 592 HE1 MET 592 -0.621 7.245 5.159 651 HE2 MET 592 HE2 MET 592 -2.118 6.566 4.514 652 HE3 MET 592 HE3 MET 592 -1.522 6.043 6.090 653 H SER 593 HN SER 593 -3.106 2.804 7.376 654 HA SER 593 HA SER 593 -4.565 1.866 9.714 655 HB2 SER 593 HB2 SER 593 -3.761 0.350 7.804 656 HB3 SER 593 HB3 SER 593 -2.145 0.550 8.480 657 HG SER 593 HG SER 593 -2.843 -1.187 9.528 658 H THR 594 HN THR 594 -3.887 2.113 11.754 659 HA THR 594 HA THR 594 -1.302 3.381 12.233 660 HB THR 594 HB THR 594 -2.182 3.492 14.627 661 HG1 THR 594 HG1 THR 594 -3.874 2.192 14.835 662 HG21 THR 594 HG21 THR 594 -3.668 5.387 14.141 663 HG22 THR 594 HG22 THR 594 -3.754 4.882 12.453 664 HG23 THR 594 HG23 THR 594 -2.221 5.424 13.134 665 H ARG 595 HN ARG 595 -2.627 0.334 12.112 666 HA ARG 595 HA ARG 595 -1.223 -0.840 14.337 667 HB2 ARG 595 HB2 ARG 595 -2.763 -2.110 12.071 668 HB3 ARG 595 HB3 ARG 595 -2.141 -2.966 13.474 669 HG2 ARG 595 HG2 ARG 595 -3.593 -1.709 14.933 670 HG3 ARG 595 HG3 ARG 595 -4.161 -0.737 13.575 671 HD2 ARG 595 HD2 ARG 595 -5.071 -2.756 12.523 672 HD3 ARG 595 HD3 ARG 595 -4.516 -3.713 13.895 673 HE ARG 595 HE ARG 595 -6.199 -1.578 14.733 674 HH11 ARG 595 HH11 ARG 595 -6.255 -4.749 13.255 675 HH12 ARG 595 HH12 ARG 595 -7.846 -5.132 13.829 676 HH21 ARG 595 HH21 ARG 595 -8.298 -2.075 15.491 677 HH22 ARG 595 HH22 ARG 595 -9.011 -3.607 15.101 678 H TYR 596 HN TYR 596 -0.494 -0.171 11.047 679 HA TYR 596 HA TYR 596 1.870 -1.912 11.252 680 HB2 TYR 596 HB2 TYR 596 0.142 -1.428 8.822 681 HB3 TYR 596 HB3 TYR 596 1.747 -2.140 8.735 682 HD1 TYR 596 HD1 TYR 596 1.911 -4.433 8.732 683 HD2 TYR 596 HD2 TYR 596 -1.508 -2.648 10.522 684 HE1 TYR 596 HE1 TYR 596 0.958 -6.664 9.123 685 HE2 TYR 596 HE2 TYR 596 -2.467 -4.874 10.923 686 HH TYR 596 HH TYR 596 -0.646 -7.746 10.577 687 H LYS 597 HN LYS 597 3.745 -0.983 10.917 688 HA LYS 597 HA LYS 597 3.836 1.837 10.194 689 HB2 LYS 597 HB2 LYS 597 5.054 0.865 12.196 690 HB3 LYS 597 HB3 LYS 597 6.117 0.055 11.056 691 HG2 LYS 597 HG2 LYS 597 7.186 2.046 11.829 692 HG3 LYS 597 HG3 LYS 597 6.736 2.273 10.137 693 HD2 LYS 597 HD2 LYS 597 4.764 3.530 10.814 694 HD3 LYS 597 HD3 LYS 597 5.165 3.266 12.511 695 HE2 LYS 597 HE2 LYS 597 7.187 4.561 12.276 696 HE3 LYS 597 HE3 LYS 597 6.918 4.725 10.541 697 HZ1 LYS 597 HZ1 LYS 597 6.236 6.719 11.660 698 HZ2 LYS 597 HZ2 LYS 597 5.223 5.853 12.701 699 HZ3 LYS 597 HZ3 LYS 597 4.862 5.940 11.050 700 H GLU 598 HN GLU 598 4.953 -1.295 9.111 701 HA GLU 598 HA GLU 598 5.467 -0.340 6.437 702 HB2 GLU 598 HB2 GLU 598 7.831 -1.279 6.493 703 HB3 GLU 598 HB3 GLU 598 7.593 0.241 7.347 704 HG2 GLU 598 HG2 GLU 598 7.485 -0.948 9.467 705 HG3 GLU 598 HG3 GLU 598 7.679 -2.483 8.627 706 H LEU 599 HN LEU 599 5.451 -2.000 4.938 707 HA LEU 599 HA LEU 599 4.636 -4.622 5.959 708 HB2 LEU 599 HB2 LEU 599 4.654 -3.516 3.151 709 HB3 LEU 599 HB1 LEU 599 4.124 -5.127 3.590 710 HG LEU 599 HG LEU 599 2.810 -2.569 4.526 711 HD11 LEU 599 HD11 LEU 599 1.057 -3.076 2.987 712 HD12 LEU 599 HD12 LEU 599 1.823 -4.599 2.541 713 HD13 LEU 599 HD13 LEU 599 2.574 -3.068 2.087 714 HD21 LEU 599 HD21 LEU 599 1.877 -5.420 4.734 715 HD22 LEU 599 HD22 LEU 599 1.060 -3.989 5.355 716 HD23 LEU 599 HD23 LEU 599 2.589 -4.508 6.066 717 H GLN 600 HN GLN 600 6.288 -5.880 6.452 718 HA GLN 600 HA GLN 600 8.645 -5.880 4.712 719 HB2 GLN 600 HB2 GLN 600 8.267 -6.863 7.539 720 HB3 GLN 600 HB3 GLN 600 9.726 -7.150 6.601 721 HG2 GLN 600 HG2 GLN 600 8.618 -4.426 7.247 722 HG3 GLN 600 HG3 GLN 600 9.895 -5.234 8.156 723 HE21 GLN 600 HE21 GLN 600 11.113 -6.408 5.797 724 HE22 GLN 600 HE22 GLN 600 11.912 -5.127 4.968 725 H LEU 601 HN LEU 601 7.691 -7.100 3.073 726 HA LEU 601 HA LEU 601 6.586 -9.674 3.429 727 HB2 LEU 601 HB2 LEU 601 8.041 -8.568 1.024 728 HB3 LEU 601 HB1 LEU 601 6.974 -9.958 1.031 729 HG LEU 601 HG LEU 601 6.170 -7.092 1.526 730 HD11 LEU 601 HD11 LEU 601 6.663 -7.552 -0.805 731 HD12 LEU 601 HD12 LEU 601 4.926 -7.355 -0.570 732 HD13 LEU 601 HD13 LEU 601 5.612 -8.967 -0.766 733 HD21 LEU 601 HD21 LEU 601 4.832 -8.586 2.884 734 HD22 LEU 601 HD22 LEU 601 4.516 -9.610 1.484 735 HD23 LEU 601 HD23 LEU 601 3.874 -7.967 1.538 736 H LYS 602 HN LYS 602 7.530 -11.726 3.190 737 HA LYS 602 HA LYS 602 10.273 -11.875 4.051 738 HB2 LYS 602 HB2 LYS 602 8.127 -13.910 3.540 739 HB3 LYS 602 HB3 LYS 602 9.797 -14.420 3.718 740 HG2 LYS 602 HG2 LYS 602 8.795 -14.655 5.836 741 HG3 LYS 602 HG3 LYS 602 9.821 -13.228 5.929 742 HD2 LYS 602 HD2 LYS 602 7.775 -12.711 7.030 743 HD3 LYS 602 HD3 LYS 602 7.775 -11.844 5.494 744 HE2 LYS 602 HE2 LYS 602 6.310 -13.479 4.514 745 HE3 LYS 602 HE3 LYS 602 6.419 -14.497 5.948 746 HZ1 LYS 602 HZ1 LYS 602 4.360 -13.213 5.878 747 HZ2 LYS 602 HZ2 LYS 602 5.243 -11.771 5.874 748 HZ3 LYS 602 HZ3 LYS 602 5.304 -12.794 7.217 749 H LYS 603 HN LYS 603 11.118 -10.769 2.202 750 HA LYS 603 HA LYS 603 11.256 -12.332 -0.275 751 HB2 LYS 603 HB2 LYS 603 12.206 -9.512 0.269 752 HB3 LYS 603 HB3 LYS 603 12.103 -10.294 -1.300 753 HG2 LYS 603 HG2 LYS 603 9.769 -9.623 0.479 754 HG3 LYS 603 HG3 LYS 603 10.278 -8.709 -0.938 755 HD2 LYS 603 HD2 LYS 603 10.000 -11.405 -1.735 756 HD3 LYS 603 HD3 LYS 603 8.570 -10.990 -0.789 757 HE2 LYS 603 HE2 LYS 603 8.145 -10.492 -3.102 758 HE3 LYS 603 HE3 LYS 603 8.276 -8.979 -2.207 759 HZ1 LYS 603 HZ1 LYS 603 10.417 -10.202 -3.863 760 HZ2 LYS 603 HZ2 LYS 603 10.547 -8.748 -3.008 761 HZ3 LYS 603 HZ3 LYS 603 9.466 -8.874 -4.302 762 HA PRO 604 HA PRO 604 15.158 -13.982 1.142 763 HB2 PRO 604 HB2 PRO 604 15.436 -14.479 -1.775 764 HB3 PRO 604 HB3 PRO 604 15.634 -15.593 -0.419 765 HG2 PRO 604 HG2 PRO 604 13.457 -15.681 -1.951 766 HG3 PRO 604 HG3 PRO 604 13.354 -15.938 -0.199 767 HD2 PRO 604 HD2 PRO 604 12.603 -13.545 -1.811 768 HD3 PRO 604 HD3 PRO 604 11.843 -14.211 -0.353 769 H GLY 605 HN GLY 605 14.986 -11.937 -1.779 770 HA2 GLY 605 HA2 GLY 605 16.611 -9.928 -1.042 771 HA3 GLY 605 HA1 GLY 605 17.768 -11.175 -1.471 772 H LYS 606 HN LYS 606 16.865 -8.480 -2.633 773 HA LYS 606 HA LYS 606 16.841 -9.417 -5.415 774 HB2 LYS 606 HB2 LYS 606 15.070 -7.287 -4.212 775 HB3 LYS 606 HB3 LYS 606 15.358 -7.419 -5.940 776 HG2 LYS 606 HG2 LYS 606 14.160 -9.590 -4.231 777 HG3 LYS 606 HG3 LYS 606 13.240 -8.451 -5.217 778 HD2 LYS 606 HD2 LYS 606 14.418 -9.275 -7.221 779 HD3 LYS 606 HD3 LYS 606 15.266 -10.450 -6.216 780 HE2 LYS 606 HE2 LYS 606 13.161 -11.495 -5.620 781 HE3 LYS 606 HE3 LYS 606 12.273 -10.286 -6.545 782 HZ1 LYS 606 HZ1 LYS 606 12.593 -12.443 -7.697 783 HZ2 LYS 606 HZ2 LYS 606 14.256 -12.144 -7.737 784 HZ3 LYS 606 HZ3 LYS 606 13.194 -11.115 -8.556 785 H ASN 607 HN ASN 607 18.069 -8.215 -6.816 786 HA ASN 607 HA ASN 607 19.476 -5.891 -5.673 787 HB2 ASN 607 HB2 ASN 607 20.569 -8.044 -7.487 788 HB3 ASN 607 HB3 ASN 607 21.401 -6.526 -7.174 789 HD21 ASN 607 HD21 ASN 607 22.232 -9.239 -6.602 790 HD22 ASN 607 HD22 ASN 607 22.515 -9.312 -4.898 791 H VAL 608 HN VAL 608 18.008 -7.377 -8.445 792 HA VAL 608 HA VAL 608 17.149 -6.613 -10.375 793 HB VAL 608 HB VAL 608 17.020 -3.951 -8.954 794 HG11 VAL 608 HG11 VAL 608 15.457 -4.981 -11.325 795 HG12 VAL 608 HG12 VAL 608 16.715 -3.745 -11.377 796 HG13 VAL 608 HG13 VAL 608 15.209 -3.434 -10.513 797 HG21 VAL 608 HG21 VAL 608 15.905 -5.694 -7.686 798 HG22 VAL 608 HG22 VAL 608 15.019 -6.202 -9.122 799 HG23 VAL 608 HG23 VAL 608 14.714 -4.617 -8.414 800 H ALA 609 HN ALA 609 18.542 -3.415 -9.861 801 HA ALA 609 HA ALA 609 20.433 -3.996 -12.039 802 HB1 ALA 609 HB1 ALA 609 19.845 -1.806 -13.030 803 HB2 ALA 609 HB2 ALA 609 18.547 -1.663 -11.842 804 HB3 ALA 609 HB3 ALA 609 18.511 -2.959 -13.036 805 H ALA 610 HN ALA 610 19.482 -1.479 -9.678 806 HA ALA 610 HA ALA 610 22.354 -1.033 -9.182 807 HB1 ALA 610 HB1 ALA 610 21.502 0.747 -10.651 808 HB2 ALA 610 HB2 ALA 610 21.990 1.365 -9.074 809 HB3 ALA 610 HB3 ALA 610 20.279 1.144 -9.443 810 H ILE 611 HN ILE 611 22.870 -1.138 -7.094 811 HA ILE 611 HA ILE 611 20.796 -1.594 -5.156 812 HB ILE 611 HB ILE 611 23.782 -1.359 -4.704 813 HG12 ILE 611 HG12 ILE 611 23.275 -3.152 -6.291 814 HG13 ILE 611 HG13 ILE 611 23.771 -3.827 -4.743 815 HG21 ILE 611 HG21 ILE 611 22.455 -1.084 -2.665 816 HG22 ILE 611 HG22 ILE 611 23.344 -2.606 -2.644 817 HG23 ILE 611 HG23 ILE 611 21.617 -2.599 -3.001 818 HD11 ILE 611 HD11 ILE 611 21.412 -4.227 -4.190 819 HD12 ILE 611 HD12 ILE 611 21.924 -5.078 -5.647 820 HD13 ILE 611 HD13 ILE 611 20.955 -3.610 -5.778 821 H ILE 612 HN ILE 612 19.910 0.608 -5.644 822 HA ILE 612 HA ILE 612 21.179 2.662 -3.962 823 HB ILE 612 HB ILE 612 19.021 3.006 -6.049 824 HG12 ILE 612 HG12 ILE 612 21.962 3.674 -6.245 825 HG13 ILE 612 HG13 ILE 612 21.192 2.298 -7.026 826 HG21 ILE 612 HG21 ILE 612 20.695 5.032 -4.558 827 HG22 ILE 612 HG22 ILE 612 18.980 4.715 -4.308 828 HG23 ILE 612 HG23 ILE 612 19.535 5.403 -5.833 829 HD11 ILE 612 HD11 ILE 612 21.517 4.108 -8.595 830 HD12 ILE 612 HD12 ILE 612 20.605 5.201 -7.555 831 HD13 ILE 612 HD13 ILE 612 19.796 3.835 -8.323 832 H GLN 613 HN GLN 613 20.378 2.127 -1.957 833 HA GLN 613 HA GLN 613 17.498 2.528 -1.646 834 HB2 GLN 613 HB2 GLN 613 19.063 0.258 -0.402 835 HB3 GLN 613 HB3 GLN 613 17.439 0.721 0.086 836 HG2 GLN 613 HG2 GLN 613 16.633 0.236 -2.179 837 HG3 GLN 613 HG3 GLN 613 18.260 -0.264 -2.637 838 HE21 GLN 613 HE21 GLN 613 15.396 -1.080 -0.877 839 HE22 GLN 613 HE22 GLN 613 15.818 -2.725 -0.547 840 H ASP 614 HN ASP 614 18.355 4.632 -1.104 841 HA ASP 614 HA ASP 614 18.667 4.926 1.733 842 HB2 ASP 614 HB2 ASP 614 21.002 4.426 1.120 843 HB3 ASP 614 HB3 ASP 614 20.980 5.751 -0.037 844 H ILE 615 HN ILE 615 19.081 6.493 -1.411 845 HA ILE 615 HA ILE 615 18.484 9.113 -0.532 846 HB ILE 615 HB ILE 615 18.138 7.977 -3.314 847 HG12 ILE 615 HG12 ILE 615 20.568 9.298 -2.080 848 HG13 ILE 615 HG13 ILE 615 20.408 7.572 -2.380 849 HG21 ILE 615 HG21 ILE 615 17.070 10.144 -2.986 850 HG22 ILE 615 HG22 ILE 615 18.476 10.288 -4.041 851 HG23 ILE 615 HG23 ILE 615 18.581 10.804 -2.357 852 HD11 ILE 615 HD11 ILE 615 21.744 8.655 -4.094 853 HD12 ILE 615 HD12 ILE 615 20.401 9.732 -4.477 854 HD13 ILE 615 HD13 ILE 615 20.255 7.999 -4.773 855 H HIS 616 HN HIS 616 16.521 6.657 -2.223 856 HA HIS 616 HA HIS 616 14.273 6.397 -2.458 857 HB2 HIS 616 HB2 HIS 616 14.222 7.616 0.311 858 HB3 HIS 616 HB3 HIS 616 12.941 6.654 -0.417 859 HD1 HIS 616 HD1 HIS 616 14.762 4.371 -1.572 860 HD2 HIS 616 HD2 HIS 616 14.992 5.910 2.296 861 HE1 HIS 616 HE1 HIS 616 15.788 2.552 -0.168 862 HE2 HIS 616 HE2 HIS 616 16.074 3.569 2.119 863 H SER 617 HN SER 617 15.048 8.547 -3.819 864 HA SER 617 HA SER 617 12.723 10.302 -3.587 865 HB2 SER 617 HB2 SER 617 14.625 11.485 -2.511 866 HB3 SER 617 HB3 SER 617 15.545 11.329 -4.007 867 HG SER 617 HG SER 617 14.538 13.360 -3.880 868 H GLN 618 HN GLN 618 15.564 9.397 -5.496 869 HA GLN 618 HA GLN 618 14.221 9.928 -7.988 870 HB2 GLN 618 HB2 GLN 618 16.862 8.607 -7.343 871 HB3 GLN 618 HB3 GLN 618 16.261 8.823 -8.978 872 HG2 GLN 618 HG2 GLN 618 17.692 10.608 -8.732 873 HG3 GLN 618 HG3 GLN 618 16.129 11.324 -8.347 874 HE21 GLN 618 HE21 GLN 618 19.188 10.273 -7.108 875 HE22 GLN 618 HE22 GLN 618 19.066 11.062 -5.573 876 H ARG 619 HN ARG 619 14.534 7.981 -9.638 877 HA ARG 619 HA ARG 619 12.786 5.896 -8.692 878 HB2 ARG 619 HB2 ARG 619 14.105 6.378 -11.367 879 HB3 ARG 619 HB3 ARG 619 12.952 5.092 -11.051 880 HG2 ARG 619 HG2 ARG 619 11.189 6.623 -10.725 881 HG3 ARG 619 HG3 ARG 619 12.300 7.992 -10.636 882 HD2 ARG 619 HD2 ARG 619 11.086 7.800 -12.808 883 HD3 ARG 619 HD3 ARG 619 12.842 7.790 -12.955 884 HE ARG 619 HE ARG 619 11.293 5.285 -12.972 885 HH11 ARG 619 HH11 ARG 619 13.605 7.455 -14.472 886 HH12 ARG 619 HH12 ARG 619 14.041 6.328 -15.714 887 HH21 ARG 619 HH21 ARG 619 11.883 3.802 -14.597 888 HH22 ARG 619 HH22 ARG 619 13.073 4.247 -15.780 889 H GLU 620 HN GLU 620 14.305 5.042 -7.096 890 HA GLU 620 HA GLU 620 16.759 3.833 -7.806 891 HB2 GLU 620 HB2 GLU 620 14.937 3.101 -5.499 892 HB3 GLU 620 HB3 GLU 620 16.670 2.811 -5.610 893 HG2 GLU 620 HG2 GLU 620 17.130 5.166 -5.508 894 HG3 GLU 620 HG3 GLU 620 15.413 5.547 -5.583 895 H ARG 621 HN ARG 621 17.242 1.575 -8.119 896 HA ARG 621 HA ARG 621 14.966 -0.092 -8.871 897 HB2 ARG 621 HB2 ARG 621 16.221 -0.690 -11.015 898 HB3 ARG 621 HB3 ARG 621 15.402 0.864 -10.964 899 HG2 ARG 621 HG2 ARG 621 17.493 2.004 -10.570 900 HG3 ARG 621 HG3 ARG 621 18.347 0.463 -10.468 901 HD2 ARG 621 HD2 ARG 621 18.589 1.615 -12.665 902 HD3 ARG 621 HD3 ARG 621 17.903 -0.006 -12.777 903 HE ARG 621 HE ARG 621 16.032 2.219 -12.657 904 HH11 ARG 621 HH11 ARG 621 17.748 -0.080 -14.659 905 HH12 ARG 621 HH12 ARG 621 16.596 -0.002 -15.953 906 HH21 ARG 621 HH21 ARG 621 14.524 2.335 -14.353 907 HH22 ARG 621 HH22 ARG 621 14.764 1.382 -15.784 Start of MODEL 15 1 H1 GLY 510 HT1 GLY 510 14.523 0.526 6.055 2 H2 GLY 510 HT2 GLY 510 15.835 0.912 5.066 3 H3 GLY 510 HT3 GLY 510 15.378 -0.699 5.267 4 HA2 GLY 510 HA1 GLY 510 13.281 -0.287 4.157 5 HA3 GLY 510 HA2 GLY 510 13.735 1.399 3.966 6 H ALA 511 HN ALA 511 15.110 -1.831 3.298 7 HA ALA 511 HA ALA 511 16.244 -0.744 0.824 8 HB1 ALA 511 HB1 ALA 511 16.779 -3.391 2.166 9 HB2 ALA 511 HB2 ALA 511 17.764 -1.940 2.340 10 HB3 ALA 511 HB3 ALA 511 17.633 -2.733 0.772 11 H MET 512 HN MET 512 14.311 -3.490 1.986 12 HA MET 512 HA MET 512 13.736 -4.422 -0.670 13 HB2 MET 512 HB2 MET 512 12.356 -6.090 0.396 14 HB3 MET 512 HB3 MET 512 13.853 -5.937 1.302 15 HG2 MET 512 HG2 MET 512 12.726 -4.595 2.981 16 HG3 MET 512 HG3 MET 512 11.229 -4.668 2.060 17 HE1 MET 512 HE1 MET 512 9.859 -6.882 1.648 18 HE2 MET 512 HE2 MET 512 10.286 -8.455 2.320 19 HE3 MET 512 HE3 MET 512 11.278 -7.741 1.049 20 H ALA 513 HN ALA 513 12.455 -2.030 1.352 21 HA ALA 513 HA ALA 513 10.405 -1.294 -0.465 22 HB1 ALA 513 HB1 ALA 513 8.464 -1.699 0.961 23 HB2 ALA 513 HB2 ALA 513 9.492 -2.499 2.150 24 HB3 ALA 513 HB3 ALA 513 9.269 -3.215 0.554 25 H GLN 514 HN GLN 514 8.748 0.075 1.279 26 HA GLN 514 HA GLN 514 8.490 1.917 2.547 27 HB2 GLN 514 HB2 GLN 514 11.339 1.524 3.470 28 HB3 GLN 514 HB3 GLN 514 10.147 2.587 4.201 29 HG2 GLN 514 HG2 GLN 514 10.416 -0.364 4.353 30 HG3 GLN 514 HG3 GLN 514 10.049 0.806 5.616 31 HE21 GLN 514 HE21 GLN 514 7.904 1.586 5.794 32 HE22 GLN 514 HE22 GLN 514 6.568 0.682 5.148 33 H ARG 515 HN ARG 515 11.770 1.897 1.184 34 HA ARG 515 HA ARG 515 12.840 3.272 -0.253 35 HB2 ARG 515 HB2 ARG 515 10.101 4.466 -0.689 36 HB3 ARG 515 HB3 ARG 515 11.530 4.910 -1.610 37 HG2 ARG 515 HG2 ARG 515 10.432 2.110 -1.462 38 HG3 ARG 515 HG3 ARG 515 10.022 3.267 -2.729 39 HD2 ARG 515 HD2 ARG 515 12.396 3.422 -3.340 40 HD3 ARG 515 HD3 ARG 515 12.790 2.249 -2.085 41 HE ARG 515 HE ARG 515 12.034 0.566 -3.448 42 HH11 ARG 515 HH11 ARG 515 11.000 3.638 -4.755 43 HH12 ARG 515 HH12 ARG 515 10.458 2.964 -6.263 44 HH21 ARG 515 HH21 ARG 515 11.346 -0.318 -5.477 45 HH22 ARG 515 HH22 ARG 515 10.681 0.747 -6.686 46 H LYS 516 HN LYS 516 10.430 5.522 1.131 47 HA LYS 516 HA LYS 516 12.519 7.412 1.756 48 HB2 LYS 516 HB2 LYS 516 9.551 7.408 2.314 49 HB3 LYS 516 HB3 LYS 516 10.621 8.712 2.801 50 HG2 LYS 516 HG2 LYS 516 10.236 7.804 -0.040 51 HG3 LYS 516 HG3 LYS 516 9.370 9.143 0.710 52 HD2 LYS 516 HD2 LYS 516 12.366 8.964 0.439 53 HD3 LYS 516 HD3 LYS 516 11.311 9.866 -0.644 54 HE2 LYS 516 HE2 LYS 516 10.553 11.218 1.277 55 HE3 LYS 516 HE3 LYS 516 11.694 10.353 2.306 56 HZ1 LYS 516 HZ1 LYS 516 12.620 12.441 1.592 57 HZ2 LYS 516 HZ2 LYS 516 12.384 12.046 -0.034 58 HZ3 LYS 516 HZ3 LYS 516 13.497 11.175 0.896 59 H GLY 517 HN GLY 517 10.510 5.127 3.506 60 HA2 GLY 517 HA2 GLY 517 11.105 4.178 5.598 61 HA3 GLY 517 HA1 GLY 517 12.159 5.557 5.883 62 H ALA 518 HN ALA 518 9.929 7.298 4.890 63 HA ALA 518 HA ALA 518 8.485 7.559 7.404 64 HB1 ALA 518 HB1 ALA 518 8.450 9.278 4.930 65 HB2 ALA 518 HB2 ALA 518 9.445 9.556 6.360 66 HB3 ALA 518 HB3 ALA 518 7.688 9.672 6.470 67 H GLY 519 HN GLY 519 8.140 6.015 4.497 68 HA2 GLY 519 HA2 GLY 519 5.541 6.346 3.647 69 HA3 GLY 519 HA1 GLY 519 6.433 4.838 3.519 70 H ARG 520 HN ARG 520 3.609 5.253 3.992 71 HA ARG 520 HA ARG 520 3.353 3.952 6.615 72 HB2 ARG 520 HB2 ARG 520 1.533 6.050 5.418 73 HB3 ARG 520 HB3 ARG 520 1.143 5.103 6.847 74 HG2 ARG 520 HG2 ARG 520 3.121 6.078 7.972 75 HG3 ARG 520 HG3 ARG 520 3.382 7.094 6.549 76 HD2 ARG 520 HD2 ARG 520 1.053 7.961 6.854 77 HD3 ARG 520 HD3 ARG 520 0.989 7.084 8.381 78 HE ARG 520 HE ARG 520 3.261 8.653 8.481 79 HH11 ARG 520 HH11 ARG 520 -0.198 9.135 8.226 80 HH12 ARG 520 HH12 ARG 520 -0.154 10.718 8.929 81 HH21 ARG 520 HH21 ARG 520 3.316 10.733 9.408 82 HH22 ARG 520 HH22 ARG 520 1.841 11.629 9.598 83 H VAL 521 HN VAL 521 1.569 2.502 6.790 84 HA VAL 521 HA VAL 521 0.887 1.272 4.241 85 HB VAL 521 HB VAL 521 0.438 0.306 7.076 86 HG11 VAL 521 HG11 VAL 521 -1.296 -0.538 5.573 87 HG12 VAL 521 HG12 VAL 521 -0.205 -1.827 6.082 88 HG13 VAL 521 HG13 VAL 521 -0.056 -1.130 4.468 89 HG21 VAL 521 HG21 VAL 521 2.404 -0.529 4.954 90 HG22 VAL 521 HG22 VAL 521 2.133 -1.395 6.465 91 HG23 VAL 521 HG23 VAL 521 2.768 0.252 6.492 92 H VAL 522 HN VAL 522 -1.057 1.309 3.383 93 HA VAL 522 HA VAL 522 -3.238 2.614 4.860 94 HB VAL 522 HB VAL 522 -2.918 2.134 1.888 95 HG11 VAL 522 HG11 VAL 522 -4.832 3.583 1.622 96 HG12 VAL 522 HG12 VAL 522 -4.997 3.710 3.373 97 HG13 VAL 522 HG13 VAL 522 -5.246 2.157 2.571 98 HG21 VAL 522 HG21 VAL 522 -2.611 4.564 1.750 99 HG22 VAL 522 HG22 VAL 522 -1.342 3.791 2.702 100 HG23 VAL 522 HG23 VAL 522 -2.651 4.657 3.509 101 H HIS 523 HN HIS 523 -5.088 1.476 5.310 102 HA HIS 523 HA HIS 523 -5.090 -1.315 4.393 103 HB2 HIS 523 HB2 HIS 523 -5.807 -2.036 6.425 104 HB3 HIS 523 HB3 HIS 523 -5.053 -0.550 6.973 105 HD1 HIS 523 HD1 HIS 523 -6.532 1.087 8.199 106 HD2 HIS 523 HD2 HIS 523 -8.696 -1.893 6.260 107 HE1 HIS 523 HE1 HIS 523 -8.898 1.324 9.012 108 HE2 HIS 523 HE2 HIS 523 -10.167 -0.551 7.912 109 H ILE 524 HN ILE 524 -6.729 -2.068 3.256 110 HA ILE 524 HA ILE 524 -8.951 -0.226 2.701 111 HB ILE 524 HB ILE 524 -7.747 -2.369 0.954 112 HG12 ILE 524 HG12 ILE 524 -7.875 0.638 0.657 113 HG13 ILE 524 HG13 ILE 524 -6.449 -0.279 1.129 114 HG21 ILE 524 HG21 ILE 524 -10.161 -0.631 0.506 115 HG22 ILE 524 HG22 ILE 524 -10.091 -2.396 0.551 116 HG23 ILE 524 HG23 ILE 524 -9.331 -1.515 -0.775 117 HD11 ILE 524 HD11 ILE 524 -6.412 0.418 -1.221 118 HD12 ILE 524 HD12 ILE 524 -7.869 -0.534 -1.510 119 HD13 ILE 524 HD13 ILE 524 -6.371 -1.333 -1.034 120 H CYS 525 HN CYS 525 -10.965 -0.832 3.100 121 HA CYS 525 HA CYS 525 -11.433 -3.612 3.939 122 HB2 CYS 525 HB2 CYS 525 -13.112 -2.672 5.547 123 HB3 CYS 525 HB3 CYS 525 -11.444 -2.254 5.917 124 HG CYS 525 HG CYS 525 -13.984 -0.258 4.906 125 H ASN 526 HN ASN 526 -13.957 -3.941 4.069 126 HA ASN 526 HA ASN 526 -15.931 -4.197 2.980 127 HB2 ASN 526 HB2 ASN 526 -15.181 -1.649 1.525 128 HB3 ASN 526 HB3 ASN 526 -16.757 -2.424 1.465 129 HD21 ASN 526 HD21 ASN 526 -18.073 -2.387 3.306 130 HD22 ASN 526 HD22 ASN 526 -17.825 -1.229 4.566 131 H LEU 527 HN LEU 527 -13.401 -5.290 2.018 132 HA LEU 527 HA LEU 527 -13.483 -5.183 -0.859 133 HB2 LEU 527 HB2 LEU 527 -11.791 -6.703 1.122 134 HB3 LEU 527 HB1 LEU 527 -11.618 -6.893 -0.613 135 HG LEU 527 HG LEU 527 -11.333 -4.231 0.773 136 HD11 LEU 527 HD11 LEU 527 -8.945 -4.501 0.634 137 HD12 LEU 527 HD12 LEU 527 -9.132 -6.107 -0.078 138 HD13 LEU 527 HD13 LEU 527 -9.625 -5.820 1.592 139 HD21 LEU 527 HD21 LEU 527 -10.155 -3.662 -1.318 140 HD22 LEU 527 HD22 LEU 527 -11.847 -4.085 -1.576 141 HD23 LEU 527 HD23 LEU 527 -10.579 -5.249 -1.959 142 HA PRO 528 HA PRO 528 -16.320 -8.663 -1.126 143 HB2 PRO 528 HB2 PRO 528 -16.277 -8.796 -3.857 144 HB3 PRO 528 HB3 PRO 528 -17.290 -7.669 -2.950 145 HG2 PRO 528 HG2 PRO 528 -14.669 -7.193 -4.306 146 HG3 PRO 528 HG3 PRO 528 -16.100 -6.152 -4.240 147 HD2 PRO 528 HD2 PRO 528 -13.917 -5.745 -2.696 148 HD3 PRO 528 HD3 PRO 528 -15.559 -5.333 -2.159 149 H GLU 529 HN GLU 529 -15.844 -10.755 -1.031 150 HA GLU 529 HA GLU 529 -13.172 -11.637 -1.346 151 HB2 GLU 529 HB2 GLU 529 -15.677 -13.285 -0.973 152 HB3 GLU 529 HB3 GLU 529 -14.027 -13.820 -0.683 153 HG2 GLU 529 HG2 GLU 529 -13.793 -12.215 1.116 154 HG3 GLU 529 HG3 GLU 529 -15.415 -11.602 0.803 155 H GLY 530 HN GLY 530 -12.171 -12.313 -3.113 156 HA2 GLY 530 HA2 GLY 530 -11.844 -13.611 -5.012 157 HA3 GLY 530 HA1 GLY 530 -13.560 -13.968 -5.034 158 H SER 531 HN SER 531 -13.810 -10.825 -4.826 159 HA SER 531 HA SER 531 -14.036 -10.575 -7.717 160 HB2 SER 531 HB2 SER 531 -14.934 -8.628 -5.588 161 HB3 SER 531 HB3 SER 531 -15.450 -8.675 -7.273 162 HG SER 531 HG SER 531 -16.025 -11.020 -6.496 163 H CYS 532 HN CYS 532 -12.318 -9.072 -5.027 164 HA CYS 532 HA CYS 532 -10.997 -7.184 -6.788 165 HB2 CYS 532 HB2 CYS 532 -10.546 -7.785 -3.856 166 HB3 CYS 532 HB3 CYS 532 -9.804 -6.464 -4.753 167 HG CYS 532 HG CYS 532 -11.707 -4.770 -4.451 168 H THR 533 HN THR 533 -8.998 -7.441 -7.674 169 HA THR 533 HA THR 533 -7.589 -9.927 -7.003 170 HB THR 533 HB THR 533 -6.386 -9.709 -9.104 171 HG1 THR 533 HG1 THR 533 -7.918 -7.332 -9.567 172 HG21 THR 533 HG21 THR 533 -8.256 -9.898 -10.702 173 HG22 THR 533 HG22 THR 533 -9.352 -9.281 -9.466 174 HG23 THR 533 HG23 THR 533 -8.535 -10.825 -9.229 175 H GLU 534 HN GLU 534 -5.126 -9.718 -7.136 176 HA GLU 534 HA GLU 534 -4.227 -8.046 -5.116 177 HB2 GLU 534 HB2 GLU 534 -2.579 -9.172 -7.390 178 HB3 GLU 534 HB3 GLU 534 -1.966 -8.622 -5.837 179 HG2 GLU 534 HG2 GLU 534 -3.126 -10.409 -4.702 180 HG3 GLU 534 HG3 GLU 534 -3.857 -10.930 -6.219 181 H ASN 535 HN ASN 535 -4.062 -7.648 -8.605 182 HA ASN 535 HA ASN 535 -2.526 -5.312 -8.681 183 HB2 ASN 535 HB2 ASN 535 -3.027 -6.848 -10.604 184 HB3 ASN 535 HB3 ASN 535 -4.639 -6.147 -10.671 185 HD21 ASN 535 HD21 ASN 535 -4.411 -5.299 -12.694 186 HD22 ASN 535 HD22 ASN 535 -3.356 -3.981 -13.057 187 H ASP 536 HN ASP 536 -6.050 -5.758 -8.511 188 HA ASP 536 HA ASP 536 -6.789 -3.112 -9.086 189 HB2 ASP 536 HB2 ASP 536 -8.218 -5.147 -7.370 190 HB3 ASP 536 HB3 ASP 536 -8.912 -3.618 -7.893 191 H VAL 537 HN VAL 537 -6.223 -4.698 -5.979 192 HA VAL 537 HA VAL 537 -6.949 -2.520 -4.352 193 HB VAL 537 HB VAL 537 -4.994 -4.745 -3.728 194 HG11 VAL 537 HG11 VAL 537 -6.640 -3.077 -1.842 195 HG12 VAL 537 HG12 VAL 537 -4.924 -2.828 -2.166 196 HG13 VAL 537 HG13 VAL 537 -5.472 -4.326 -1.415 197 HG21 VAL 537 HG21 VAL 537 -7.979 -4.601 -3.308 198 HG22 VAL 537 HG22 VAL 537 -6.921 -5.893 -2.737 199 HG23 VAL 537 HG23 VAL 537 -7.136 -5.631 -4.468 200 H ILE 538 HN ILE 538 -3.871 -3.541 -5.722 201 HA ILE 538 HA ILE 538 -2.260 -1.534 -4.544 202 HB ILE 538 HB ILE 538 -1.877 -3.073 -7.121 203 HG12 ILE 538 HG12 ILE 538 -0.675 -3.573 -4.393 204 HG13 ILE 538 HG13 ILE 538 -2.100 -4.411 -5.000 205 HG21 ILE 538 HG21 ILE 538 0.119 -1.501 -5.494 206 HG22 ILE 538 HG22 ILE 538 -0.498 -1.068 -7.089 207 HG23 ILE 538 HG23 ILE 538 0.498 -2.509 -6.890 208 HD11 ILE 538 HD11 ILE 538 -0.772 -5.317 -6.838 209 HD12 ILE 538 HD12 ILE 538 -0.117 -5.767 -5.264 210 HD13 ILE 538 HD13 ILE 538 0.653 -4.491 -6.208 211 H ASN 539 HN ASN 539 -4.030 -1.761 -7.589 212 HA ASN 539 HA ASN 539 -3.110 0.600 -8.787 213 HB2 ASN 539 HB2 ASN 539 -5.694 -0.912 -9.137 214 HB3 ASN 539 HB3 ASN 539 -5.274 0.496 -10.101 215 HD21 ASN 539 HD21 ASN 539 -2.416 -0.250 -10.128 216 HD22 ASN 539 HD22 ASN 539 -2.297 -1.552 -11.255 217 H LEU 540 HN LEU 540 -5.528 0.090 -6.332 218 HA LEU 540 HA LEU 540 -6.922 2.526 -6.737 219 HB2 LEU 540 HB2 LEU 540 -6.734 0.748 -4.323 220 HB3 LEU 540 HB1 LEU 540 -7.776 2.152 -4.418 221 HG LEU 540 HG LEU 540 -7.975 -0.403 -5.989 222 HD11 LEU 540 HD11 LEU 540 -9.883 1.045 -4.163 223 HD12 LEU 540 HD12 LEU 540 -8.929 -0.381 -3.743 224 HD13 LEU 540 HD13 LEU 540 -10.179 -0.490 -4.980 225 HD21 LEU 540 HD21 LEU 540 -9.900 0.633 -7.140 226 HD22 LEU 540 HD22 LEU 540 -8.367 1.394 -7.561 227 HD23 LEU 540 HD23 LEU 540 -9.464 2.186 -6.427 228 H GLY 541 HN GLY 541 -4.137 1.684 -4.745 229 HA2 GLY 541 HA2 GLY 541 -4.164 4.228 -3.379 230 HA3 GLY 541 HA1 GLY 541 -2.900 3.009 -3.290 231 H LEU 542 HN LEU 542 -2.608 2.847 -6.152 232 HA LEU 542 HA LEU 542 -0.410 4.482 -6.424 233 HB2 LEU 542 HB2 LEU 542 -2.067 3.116 -8.519 234 HB3 LEU 542 HB1 LEU 542 -0.574 3.954 -8.890 235 HG LEU 542 HG LEU 542 -0.816 1.599 -7.017 236 HD11 LEU 542 HD11 LEU 542 0.336 0.355 -8.767 237 HD12 LEU 542 HD12 LEU 542 0.287 1.773 -9.814 238 HD13 LEU 542 HD13 LEU 542 -1.211 0.976 -9.340 239 HD21 LEU 542 HD21 LEU 542 1.594 3.080 -8.051 240 HD22 LEU 542 HD22 LEU 542 1.633 1.594 -7.102 241 HD23 LEU 542 HD23 LEU 542 1.002 3.077 -6.390 242 HA PRO 543 HA PRO 543 -3.085 7.443 -9.351 243 HB2 PRO 543 HB2 PRO 543 -5.304 7.755 -7.359 244 HB3 PRO 543 HB3 PRO 543 -5.348 7.886 -9.128 245 HG2 PRO 543 HG2 PRO 543 -6.257 5.709 -7.972 246 HG3 PRO 543 HG3 PRO 543 -5.224 5.563 -9.409 247 HD2 PRO 543 HD2 PRO 543 -4.520 5.170 -6.524 248 HD3 PRO 543 HD3 PRO 543 -4.035 4.216 -7.940 249 H PHE 544 HN PHE 544 -3.157 7.693 -5.770 250 HA PHE 544 HA PHE 544 -2.139 10.428 -6.131 251 HB2 PHE 544 HB2 PHE 544 -3.720 9.236 -3.875 252 HB3 PHE 544 HB1 PHE 544 -2.861 10.768 -3.718 253 HD1 PHE 544 HD1 PHE 544 -5.504 9.010 -5.600 254 HD2 PHE 544 HD2 PHE 544 -3.747 12.758 -4.619 255 HE1 PHE 544 HE1 PHE 544 -7.427 10.171 -6.601 256 HE2 PHE 544 HE2 PHE 544 -5.665 13.925 -5.619 257 HZ PHE 544 HZ PHE 544 -7.447 12.648 -6.706 258 H GLY 545 HN GLY 545 -1.286 7.341 -4.948 259 HA2 GLY 545 HA2 GLY 545 1.232 8.496 -3.944 260 HA3 GLY 545 HA1 GLY 545 0.385 7.245 -3.043 261 H LYS 546 HN LYS 546 2.518 6.172 -3.248 262 HA LYS 546 HA LYS 546 2.561 4.536 -5.680 263 HB2 LYS 546 HB2 LYS 546 4.324 6.309 -5.838 264 HB3 LYS 546 HB3 LYS 546 5.051 5.651 -4.377 265 HG2 LYS 546 HG2 LYS 546 6.267 4.789 -6.229 266 HG3 LYS 546 HG3 LYS 546 5.288 3.465 -5.582 267 HD2 LYS 546 HD2 LYS 546 3.634 3.809 -7.327 268 HD3 LYS 546 HD3 LYS 546 4.544 5.184 -7.949 269 HE2 LYS 546 HE2 LYS 546 5.538 2.341 -7.835 270 HE3 LYS 546 HE3 LYS 546 4.893 3.136 -9.269 271 HZ1 LYS 546 HZ1 LYS 546 7.414 3.707 -7.834 272 HZ2 LYS 546 HZ2 LYS 546 6.720 4.840 -8.882 273 HZ3 LYS 546 HZ3 LYS 546 7.186 3.325 -9.467 274 H VAL 547 HN VAL 547 3.227 2.416 -5.358 275 HA VAL 547 HA VAL 547 3.116 1.557 -2.563 276 HB VAL 547 HB VAL 547 2.445 0.066 -5.104 277 HG11 VAL 547 HG11 VAL 547 1.548 -1.667 -3.606 278 HG12 VAL 547 HG12 VAL 547 2.197 -0.783 -2.225 279 HG13 VAL 547 HG13 VAL 547 3.291 -1.458 -3.432 280 HG21 VAL 547 HG21 VAL 547 0.129 0.201 -4.284 281 HG22 VAL 547 HG22 VAL 547 0.822 1.792 -4.591 282 HG23 VAL 547 HG23 VAL 547 0.678 1.199 -2.938 283 H THR 548 HN THR 548 4.723 0.368 -1.682 284 HA THR 548 HA THR 548 7.005 -0.340 -3.397 285 HB THR 548 HB THR 548 8.304 -0.572 -1.336 286 HG1 THR 548 HG1 THR 548 6.383 0.538 0.308 287 HG21 THR 548 HG21 THR 548 8.180 1.644 -2.345 288 HG22 THR 548 HG22 THR 548 8.269 1.762 -0.586 289 HG23 THR 548 HG23 THR 548 6.727 1.999 -1.411 290 H ASN 549 HN ASN 549 4.689 -1.673 -1.119 291 HA ASN 549 HA ASN 549 4.757 -4.203 -2.379 292 HB2 ASN 549 HB2 ASN 549 5.467 -5.613 -0.544 293 HB3 ASN 549 HB3 ASN 549 6.765 -4.528 -1.005 294 HD21 ASN 549 HD21 ASN 549 5.852 -2.232 0.424 295 HD22 ASN 549 HD22 ASN 549 6.019 -2.580 2.109 296 H TYR 550 HN TYR 550 3.278 -5.788 -1.122 297 HA TYR 550 HA TYR 550 1.191 -4.310 0.300 298 HB2 TYR 550 HB2 TYR 550 -0.553 -5.163 -1.180 299 HB3 TYR 550 HB3 TYR 550 0.618 -4.236 -2.113 300 HD1 TYR 550 HD1 TYR 550 -1.088 -7.340 -1.816 301 HD2 TYR 550 HD2 TYR 550 2.444 -5.569 -3.357 302 HE1 TYR 550 HE1 TYR 550 -0.804 -9.254 -3.326 303 HE2 TYR 550 HE2 TYR 550 2.747 -7.475 -4.879 304 HH TYR 550 HH TYR 550 2.085 -9.663 -5.270 305 H ILE 551 HN ILE 551 -0.144 -5.586 1.584 306 HA ILE 551 HA ILE 551 0.365 -8.483 1.554 307 HB ILE 551 HB ILE 551 0.056 -6.716 3.999 308 HG12 ILE 551 HG12 ILE 551 2.207 -8.637 3.084 309 HG13 ILE 551 HG13 ILE 551 2.337 -6.888 3.200 310 HG21 ILE 551 HG21 ILE 551 -1.381 -8.668 4.260 311 HG22 ILE 551 HG22 ILE 551 0.013 -8.771 5.336 312 HG23 ILE 551 HG23 ILE 551 -0.033 -9.731 3.858 313 HD11 ILE 551 HD11 ILE 551 3.494 -7.921 5.036 314 HD12 ILE 551 HD12 ILE 551 2.047 -8.823 5.485 315 HD13 ILE 551 HD13 ILE 551 2.076 -7.069 5.647 316 H LEU 552 HN LEU 552 -1.417 -9.531 1.067 317 HA LEU 552 HA LEU 552 -3.994 -8.182 1.495 318 HB2 LEU 552 HB2 LEU 552 -3.067 -10.134 -0.594 319 HB3 LEU 552 HB1 LEU 552 -4.768 -9.795 -0.327 320 HG LEU 552 HG LEU 552 -2.754 -7.657 -0.998 321 HD11 LEU 552 HD11 LEU 552 -4.664 -9.071 -2.856 322 HD12 LEU 552 HD12 LEU 552 -2.921 -9.332 -2.815 323 HD13 LEU 552 HD13 LEU 552 -3.565 -7.756 -3.272 324 HD21 LEU 552 HD21 LEU 552 -4.786 -6.416 -1.624 325 HD22 LEU 552 HD22 LEU 552 -4.719 -6.829 0.087 326 HD23 LEU 552 HD23 LEU 552 -5.758 -7.752 -1.001 327 H MET 553 HN MET 553 -4.965 -8.946 3.264 328 HA MET 553 HA MET 553 -4.943 -11.858 3.666 329 HB2 MET 553 HB2 MET 553 -5.595 -9.656 5.634 330 HB3 MET 553 HB3 MET 553 -5.668 -11.379 5.982 331 HG2 MET 553 HG2 MET 553 -3.251 -11.535 5.490 332 HG3 MET 553 HG3 MET 553 -3.216 -9.787 5.274 333 HE1 MET 553 HE1 MET 553 -1.358 -10.240 8.674 334 HE2 MET 553 HE2 MET 553 -1.303 -9.514 7.068 335 HE3 MET 553 HE3 MET 553 -1.269 -11.267 7.245 336 H LYS 554 HN LYS 554 -6.498 -12.254 2.117 337 HA LYS 554 HA LYS 554 -9.002 -10.931 1.990 338 HB2 LYS 554 HB2 LYS 554 -8.134 -13.630 0.936 339 HB3 LYS 554 HB3 LYS 554 -9.646 -12.835 0.522 340 HG2 LYS 554 HG2 LYS 554 -6.965 -11.575 0.004 341 HG3 LYS 554 HG3 LYS 554 -7.770 -12.634 -1.156 342 HD2 LYS 554 HD2 LYS 554 -9.720 -11.112 -1.129 343 HD3 LYS 554 HD3 LYS 554 -8.835 -10.039 -0.045 344 HE2 LYS 554 HE2 LYS 554 -8.708 -9.284 -2.375 345 HE3 LYS 554 HE3 LYS 554 -7.119 -9.706 -1.736 346 HZ1 LYS 554 HZ1 LYS 554 -7.266 -11.834 -2.871 347 HZ2 LYS 554 HZ2 LYS 554 -7.438 -10.568 -3.973 348 HZ3 LYS 554 HZ3 LYS 554 -8.794 -11.438 -3.475 349 H SER 555 HN SER 555 -7.767 -13.634 3.775 350 HA SER 555 HA SER 555 -10.190 -14.852 4.506 351 HB2 SER 555 HB2 SER 555 -8.834 -15.882 6.325 352 HB3 SER 555 HB3 SER 555 -8.072 -16.008 4.741 353 HG SER 555 HG SER 555 -7.260 -14.658 6.994 354 H THR 556 HN THR 556 -8.473 -12.080 5.810 355 HA THR 556 HA THR 556 -10.428 -11.896 7.988 356 HB THR 556 HB THR 556 -8.964 -10.123 8.912 357 HG1 THR 556 HG1 THR 556 -8.028 -9.617 6.758 358 HG21 THR 556 HG21 THR 556 -7.530 -12.707 8.297 359 HG22 THR 556 HG22 THR 556 -8.670 -12.449 9.618 360 HG23 THR 556 HG23 THR 556 -7.133 -11.587 9.598 361 H ASN 557 HN ASN 557 -10.440 -11.097 4.948 362 HA ASN 557 HA ASN 557 -11.442 -9.553 3.613 363 HB2 ASN 557 HB2 ASN 557 -13.262 -10.108 5.365 364 HB3 ASN 557 HB3 ASN 557 -12.877 -8.538 6.055 365 HD21 ASN 557 HD21 ASN 557 -14.225 -10.224 3.371 366 HD22 ASN 557 HD22 ASN 557 -15.000 -8.868 2.630 367 H GLN 558 HN GLN 558 -8.937 -8.768 4.500 368 HA GLN 558 HA GLN 558 -9.248 -5.865 4.647 369 HB2 GLN 558 HB2 GLN 558 -7.575 -7.496 6.568 370 HB3 GLN 558 HB3 GLN 558 -7.466 -5.751 6.402 371 HG2 GLN 558 HG2 GLN 558 -10.046 -7.123 7.097 372 HG3 GLN 558 HG3 GLN 558 -8.855 -6.675 8.322 373 HE21 GLN 558 HE21 GLN 558 -8.504 -4.506 8.773 374 HE22 GLN 558 HE22 GLN 558 -9.615 -3.275 8.284 375 H ALA 559 HN ALA 559 -7.516 -4.714 3.789 376 HA ALA 559 HA ALA 559 -5.339 -6.311 2.618 377 HB1 ALA 559 HB1 ALA 559 -6.969 -5.759 0.868 378 HB2 ALA 559 HB2 ALA 559 -5.426 -4.943 0.604 379 HB3 ALA 559 HB3 ALA 559 -6.796 -4.048 1.258 380 H PHE 560 HN PHE 560 -3.328 -5.359 2.631 381 HA PHE 560 HA PHE 560 -3.158 -2.680 3.833 382 HB2 PHE 560 HB2 PHE 560 -1.266 -4.996 4.306 383 HB3 PHE 560 HB1 PHE 560 -1.130 -3.387 5.005 384 HD1 PHE 560 HD1 PHE 560 -2.583 -6.649 5.319 385 HD2 PHE 560 HD2 PHE 560 -2.924 -2.599 6.587 386 HE1 PHE 560 HE1 PHE 560 -3.969 -7.366 7.222 387 HE2 PHE 560 HE2 PHE 560 -4.307 -3.310 8.494 388 HZ PHE 560 HZ PHE 560 -4.831 -5.696 8.813 389 H LEU 561 HN LEU 561 -2.073 -1.252 2.670 390 HA LEU 561 HA LEU 561 -0.356 -2.225 0.480 391 HB2 LEU 561 HB2 LEU 561 -2.686 -1.329 -0.106 392 HB3 LEU 561 HB1 LEU 561 -2.071 0.244 0.358 393 HG LEU 561 HG LEU 561 -0.385 0.125 -1.410 394 HD11 LEU 561 HD11 LEU 561 -1.663 -2.528 -2.059 395 HD12 LEU 561 HD12 LEU 561 -0.022 -2.272 -1.466 396 HD13 LEU 561 HD13 LEU 561 -0.481 -1.691 -3.064 397 HD21 LEU 561 HD21 LEU 561 -2.652 1.045 -1.851 398 HD22 LEU 561 HD22 LEU 561 -3.127 -0.535 -2.473 399 HD23 LEU 561 HD23 LEU 561 -1.864 0.391 -3.285 400 H GLU 562 HN GLU 562 1.650 -1.359 0.433 401 HA GLU 562 HA GLU 562 2.285 0.631 2.495 402 HB2 GLU 562 HB2 GLU 562 3.497 -1.504 2.575 403 HB3 GLU 562 HB3 GLU 562 4.078 -1.232 0.936 404 HG2 GLU 562 HG2 GLU 562 5.818 -0.720 2.504 405 HG3 GLU 562 HG3 GLU 562 5.278 0.761 1.718 406 H MET 563 HN MET 563 3.352 2.512 2.053 407 HA MET 563 HA MET 563 3.352 3.225 -0.805 408 HB2 MET 563 HB2 MET 563 2.922 5.056 1.552 409 HB3 MET 563 HB3 MET 563 2.766 5.476 -0.151 410 HG2 MET 563 HG2 MET 563 1.033 3.608 1.438 411 HG3 MET 563 HG3 MET 563 0.583 5.160 0.738 412 HE1 MET 563 HE1 MET 563 -0.890 2.236 0.422 413 HE2 MET 563 HE2 MET 563 -1.425 2.384 -1.251 414 HE3 MET 563 HE3 MET 563 -1.562 3.763 -0.157 415 H ALA 564 HN ALA 564 5.023 4.257 -1.681 416 HA ALA 564 HA ALA 564 7.584 3.940 -0.504 417 HB1 ALA 564 HB1 ALA 564 7.193 3.789 -2.921 418 HB2 ALA 564 HB2 ALA 564 8.430 4.986 -2.534 419 HB3 ALA 564 HB3 ALA 564 6.800 5.509 -2.961 420 H TYR 565 HN TYR 565 5.291 6.484 -0.473 421 HA TYR 565 HA TYR 565 7.216 8.236 0.889 422 HB2 TYR 565 HB2 TYR 565 5.066 9.272 -0.973 423 HB3 TYR 565 HB3 TYR 565 6.379 10.182 -0.238 424 HD1 TYR 565 HD1 TYR 565 5.385 8.043 -2.995 425 HD2 TYR 565 HD2 TYR 565 8.692 9.922 -1.092 426 HE1 TYR 565 HE1 TYR 565 6.745 7.671 -5.006 427 HE2 TYR 565 HE2 TYR 565 10.062 9.556 -3.101 428 HH TYR 565 HH TYR 565 10.075 7.951 -5.050 429 H THR 566 HN THR 566 6.351 9.337 2.649 430 HA THR 566 HA THR 566 4.010 8.241 3.813 431 HB THR 566 HB THR 566 5.903 9.169 5.152 432 HG1 THR 566 HG1 THR 566 4.496 9.377 6.701 433 HG21 THR 566 HG21 THR 566 5.989 11.581 5.590 434 HG22 THR 566 HG22 THR 566 4.750 11.848 4.363 435 HG23 THR 566 HG23 THR 566 6.329 11.223 3.898 436 H GLU 567 HN GLU 567 4.702 11.208 2.074 437 HA GLU 567 HA GLU 567 2.173 12.424 2.394 438 HB2 GLU 567 HB2 GLU 567 2.841 13.796 0.425 439 HB3 GLU 567 HB3 GLU 567 4.055 13.759 1.697 440 HG2 GLU 567 HG2 GLU 567 5.353 12.138 0.456 441 HG3 GLU 567 HG3 GLU 567 4.112 12.072 -0.795 442 H ALA 568 HN ALA 568 3.446 10.091 0.150 443 HA ALA 568 HA ALA 568 1.354 10.130 -1.722 444 HB1 ALA 568 HB1 ALA 568 3.189 7.893 -0.855 445 HB2 ALA 568 HB2 ALA 568 3.419 8.992 -2.216 446 HB3 ALA 568 HB3 ALA 568 2.112 7.812 -2.245 447 H ALA 569 HN ALA 569 1.856 8.286 1.252 448 HA ALA 569 HA ALA 569 -0.563 6.819 1.115 449 HB1 ALA 569 HB1 ALA 569 1.027 7.499 3.581 450 HB2 ALA 569 HB2 ALA 569 1.428 6.191 2.470 451 HB3 ALA 569 HB3 ALA 569 -0.089 6.151 3.364 452 H GLN 570 HN GLN 570 0.345 9.797 2.834 453 HA GLN 570 HA GLN 570 -2.121 10.073 4.198 454 HB2 GLN 570 HB2 GLN 570 -0.102 12.209 3.479 455 HB3 GLN 570 HB3 GLN 570 -1.378 12.365 4.676 456 HG2 GLN 570 HG2 GLN 570 -0.345 10.661 6.046 457 HG3 GLN 570 HG3 GLN 570 0.897 10.401 4.821 458 HE21 GLN 570 HE21 GLN 570 2.603 10.949 6.142 459 HE22 GLN 570 HE22 GLN 570 2.875 12.563 6.703 460 H ALA 571 HN ALA 571 -0.872 11.532 1.203 461 HA ALA 571 HA ALA 571 -3.053 13.287 0.823 462 HB1 ALA 571 HB1 ALA 571 -0.891 13.672 -0.232 463 HB2 ALA 571 HB2 ALA 571 -2.174 13.599 -1.440 464 HB3 ALA 571 HB3 ALA 571 -1.098 12.219 -1.212 465 H MET 572 HN MET 572 -2.394 10.012 -0.340 466 HA MET 572 HA MET 572 -4.597 9.942 -2.120 467 HB2 MET 572 HB2 MET 572 -4.166 7.643 -2.407 468 HB3 MET 572 HB3 MET 572 -2.594 8.363 -2.124 469 HG2 MET 572 HG2 MET 572 -2.493 7.506 0.080 470 HG3 MET 572 HG3 MET 572 -4.192 7.037 0.045 471 HE1 MET 572 HE1 MET 572 -1.466 6.611 -2.748 472 HE2 MET 572 HE2 MET 572 -0.859 4.996 -2.384 473 HE3 MET 572 HE3 MET 572 -0.590 6.318 -1.245 474 H VAL 573 HN VAL 573 -4.153 8.900 1.227 475 HA VAL 573 HA VAL 573 -6.716 7.747 1.469 476 HB VAL 573 HB VAL 573 -4.714 8.624 3.538 477 HG11 VAL 573 HG11 VAL 573 -6.170 7.192 5.072 478 HG12 VAL 573 HG12 VAL 573 -7.440 7.408 3.866 479 HG13 VAL 573 HG13 VAL 573 -6.755 8.808 4.687 480 HG21 VAL 573 HG21 VAL 573 -5.624 5.941 2.495 481 HG22 VAL 573 HG22 VAL 573 -4.465 6.183 3.806 482 HG23 VAL 573 HG23 VAL 573 -4.074 6.726 2.171 483 H GLN 574 HN GLN 574 -5.471 10.981 2.182 484 HA GLN 574 HA GLN 574 -7.780 11.996 3.408 485 HB2 GLN 574 HB2 GLN 574 -5.701 13.336 1.675 486 HB3 GLN 574 HB3 GLN 574 -6.997 14.221 2.468 487 HG2 GLN 574 HG2 GLN 574 -4.964 12.533 3.905 488 HG3 GLN 574 HG3 GLN 574 -4.845 14.280 3.687 489 HE21 GLN 574 HE21 GLN 574 -6.227 15.629 4.809 490 HE22 GLN 574 HE22 GLN 574 -7.139 15.083 6.176 491 H TYR 575 HN TYR 575 -6.913 11.617 0.021 492 HA TYR 575 HA TYR 575 -9.312 12.725 -1.005 493 HB2 TYR 575 HB2 TYR 575 -7.267 12.440 -2.369 494 HB3 TYR 575 HB3 TYR 575 -7.489 10.695 -2.298 495 HD1 TYR 575 HD1 TYR 575 -8.977 13.843 -3.557 496 HD2 TYR 575 HD2 TYR 575 -8.993 9.598 -3.762 497 HE1 TYR 575 HE1 TYR 575 -10.419 13.952 -5.546 498 HE2 TYR 575 HE2 TYR 575 -10.434 9.694 -5.751 499 HH TYR 575 HH TYR 575 -12.069 11.282 -6.755 500 H TYR 576 HN TYR 576 -8.346 9.369 -0.271 501 HA TYR 576 HA TYR 576 -10.776 8.335 -1.383 502 HB2 TYR 576 HB2 TYR 576 -8.744 6.914 0.331 503 HB3 TYR 576 HB3 TYR 576 -10.008 6.155 -0.631 504 HD1 TYR 576 HD1 TYR 576 -6.804 6.069 -0.640 505 HD2 TYR 576 HD2 TYR 576 -9.787 7.801 -3.124 506 HE1 TYR 576 HE1 TYR 576 -5.258 5.991 -2.537 507 HE2 TYR 576 HE2 TYR 576 -8.243 7.732 -5.036 508 HH TYR 576 HH TYR 576 -5.484 5.916 -5.094 509 H GLN 577 HN GLN 577 -9.814 9.259 1.855 510 HA GLN 577 HA GLN 577 -11.990 7.945 3.138 511 HB2 GLN 577 HB2 GLN 577 -10.162 10.196 3.945 512 HB3 GLN 577 HB3 GLN 577 -11.526 9.727 4.955 513 HG2 GLN 577 HG2 GLN 577 -9.862 7.489 4.110 514 HG3 GLN 577 HG3 GLN 577 -9.005 8.694 5.072 515 HE21 GLN 577 HE21 GLN 577 -9.643 9.078 7.183 516 HE22 GLN 577 HE22 GLN 577 -10.649 7.979 8.056 517 H GLU 578 HN GLU 578 -11.658 10.860 1.338 518 HA GLU 578 HA GLU 578 -14.301 11.787 2.165 519 HB2 GLU 578 HB2 GLU 578 -12.098 13.092 0.571 520 HB3 GLU 578 HB3 GLU 578 -13.694 13.811 0.759 521 HG2 GLU 578 HG2 GLU 578 -11.805 13.128 3.002 522 HG3 GLU 578 HG3 GLU 578 -12.050 14.735 2.322 523 H LYS 579 HN LYS 579 -12.504 10.803 -0.710 524 HA LYS 579 HA LYS 579 -15.072 10.167 -2.018 525 HB2 LYS 579 HB2 LYS 579 -12.616 11.301 -3.380 526 HB3 LYS 579 HB3 LYS 579 -14.082 10.780 -4.193 527 HG2 LYS 579 HG2 LYS 579 -13.823 13.087 -2.273 528 HG3 LYS 579 HG3 LYS 579 -14.012 13.188 -4.023 529 HD2 LYS 579 HD2 LYS 579 -16.026 12.068 -2.072 530 HD3 LYS 579 HD3 LYS 579 -16.124 13.627 -2.888 531 HE2 LYS 579 HE2 LYS 579 -16.186 12.445 -5.059 532 HE3 LYS 579 HE3 LYS 579 -16.181 10.910 -4.194 533 HZ1 LYS 579 HZ1 LYS 579 -18.416 11.598 -4.853 534 HZ2 LYS 579 HZ2 LYS 579 -18.268 13.002 -3.926 535 HZ3 LYS 579 HZ3 LYS 579 -18.271 11.491 -3.173 536 HA PRO 580 HA PRO 580 -12.370 6.494 -1.548 537 HB2 PRO 580 HB2 PRO 580 -14.898 5.052 -1.194 538 HB3 PRO 580 HB3 PRO 580 -13.538 5.235 -0.075 539 HG2 PRO 580 HG2 PRO 580 -15.896 6.453 0.384 540 HG3 PRO 580 HG3 PRO 580 -14.351 7.234 0.803 541 HD2 PRO 580 HD2 PRO 580 -16.066 7.644 -1.637 542 HD3 PRO 580 HD3 PRO 580 -15.346 8.858 -0.550 543 H ALA 581 HN ALA 581 -12.197 4.441 -2.681 544 HA ALA 581 HA ALA 581 -12.930 4.859 -5.479 545 HB1 ALA 581 HB1 ALA 581 -10.920 2.935 -4.305 546 HB2 ALA 581 HB2 ALA 581 -10.552 4.568 -4.867 547 HB3 ALA 581 HB3 ALA 581 -11.120 3.350 -6.008 548 H ILE 582 HN ILE 582 -13.612 3.058 -6.816 549 HA ILE 582 HA ILE 582 -15.284 1.180 -5.276 550 HB ILE 582 HB ILE 582 -15.852 2.435 -7.964 551 HG12 ILE 582 HG12 ILE 582 -17.186 2.773 -5.277 552 HG13 ILE 582 HG13 ILE 582 -16.178 3.961 -6.079 553 HG21 ILE 582 HG21 ILE 582 -18.024 1.294 -7.828 554 HG22 ILE 582 HG22 ILE 582 -17.488 0.468 -6.366 555 HG23 ILE 582 HG23 ILE 582 -16.680 0.155 -7.903 556 HD11 ILE 582 HD11 ILE 582 -17.807 4.169 -7.864 557 HD12 ILE 582 HD12 ILE 582 -18.552 4.475 -6.294 558 HD13 ILE 582 HD13 ILE 582 -18.808 2.932 -7.106 559 H ILE 583 HN ILE 583 -14.880 -0.912 -5.551 560 HA ILE 583 HA ILE 583 -13.856 -1.790 -8.179 561 HB ILE 583 HB ILE 583 -13.222 -2.964 -5.470 562 HG12 ILE 583 HG12 ILE 583 -11.481 -1.808 -7.656 563 HG13 ILE 583 HG13 ILE 583 -11.805 -1.086 -6.083 564 HG21 ILE 583 HG21 ILE 583 -11.973 -4.708 -6.666 565 HG22 ILE 583 HG22 ILE 583 -12.596 -4.092 -8.197 566 HG23 ILE 583 HG23 ILE 583 -13.702 -4.778 -7.007 567 HD11 ILE 583 HD11 ILE 583 -10.379 -3.700 -6.515 568 HD12 ILE 583 HD12 ILE 583 -10.614 -2.868 -4.980 569 HD13 ILE 583 HD13 ILE 583 -9.591 -2.149 -6.223 570 H ASN 584 HN ASN 584 -15.299 -2.933 -9.267 571 HA ASN 584 HA ASN 584 -16.981 -4.354 -9.807 572 HB2 ASN 584 HB2 ASN 584 -16.164 -5.606 -7.186 573 HB3 ASN 584 HB3 ASN 584 -17.403 -6.298 -8.222 574 HD21 ASN 584 HD21 ASN 584 -14.589 -4.707 -9.548 575 HD22 ASN 584 HD22 ASN 584 -13.833 -6.139 -10.143 576 H GLY 585 HN GLY 585 -17.661 -1.913 -8.503 577 HA2 GLY 585 HA2 GLY 585 -19.757 -0.990 -8.088 578 HA3 GLY 585 HA1 GLY 585 -20.388 -2.603 -7.817 579 H GLU 586 HN GLU 586 -17.668 -2.427 -5.990 580 HA GLU 586 HA GLU 586 -19.224 -1.703 -3.608 581 HB2 GLU 586 HB2 GLU 586 -16.569 -3.144 -3.789 582 HB3 GLU 586 HB3 GLU 586 -17.537 -2.922 -2.338 583 HG2 GLU 586 HG2 GLU 586 -18.294 -4.542 -4.755 584 HG3 GLU 586 HG3 GLU 586 -17.755 -5.174 -3.200 585 H LYS 587 HN LYS 587 -18.799 0.147 -2.566 586 HA LYS 587 HA LYS 587 -16.564 1.773 -3.442 587 HB2 LYS 587 HB2 LYS 587 -18.609 2.387 -1.297 588 HB3 LYS 587 HB3 LYS 587 -17.525 3.528 -2.078 589 HG2 LYS 587 HG2 LYS 587 -18.676 3.197 -4.199 590 HG3 LYS 587 HG3 LYS 587 -19.741 2.012 -3.443 591 HD2 LYS 587 HD2 LYS 587 -20.952 4.040 -3.528 592 HD3 LYS 587 HD3 LYS 587 -20.442 3.841 -1.853 593 HE2 LYS 587 HE2 LYS 587 -20.113 6.131 -2.516 594 HE3 LYS 587 HE3 LYS 587 -18.543 5.365 -2.289 595 HZ1 LYS 587 HZ1 LYS 587 -19.888 5.815 -4.901 596 HZ2 LYS 587 HZ2 LYS 587 -18.369 5.102 -4.683 597 HZ3 LYS 587 HZ3 LYS 587 -18.601 6.723 -4.288 598 H LEU 588 HN LEU 588 -14.650 1.316 -2.626 599 HA LEU 588 HA LEU 588 -14.429 0.009 -0.040 600 HB2 LEU 588 HB2 LEU 588 -12.230 0.798 -1.938 601 HB3 LEU 588 HB1 LEU 588 -12.118 -0.324 -0.599 602 HG LEU 588 HG LEU 588 -13.621 -0.745 -3.177 603 HD11 LEU 588 HD11 LEU 588 -11.244 -0.946 -3.419 604 HD12 LEU 588 HD12 LEU 588 -11.955 -2.561 -3.435 605 HD13 LEU 588 HD13 LEU 588 -11.141 -1.964 -1.987 606 HD21 LEU 588 HD21 LEU 588 -14.837 -1.760 -1.326 607 HD22 LEU 588 HD22 LEU 588 -13.361 -2.550 -0.773 608 HD23 LEU 588 HD23 LEU 588 -14.073 -2.998 -2.323 609 H LEU 589 HN LEU 589 -13.860 1.021 1.776 610 HA LEU 589 HA LEU 589 -13.082 3.801 1.663 611 HB2 LEU 589 HB2 LEU 589 -14.608 2.960 3.426 612 HB3 LEU 589 HB1 LEU 589 -13.317 1.942 4.034 613 HG LEU 589 HG LEU 589 -11.993 3.962 4.567 614 HD11 LEU 589 HD11 LEU 589 -12.889 5.482 2.908 615 HD12 LEU 589 HD12 LEU 589 -13.106 6.153 4.525 616 HD13 LEU 589 HD13 LEU 589 -14.474 5.429 3.679 617 HD21 LEU 589 HD21 LEU 589 -14.766 3.898 5.747 618 HD22 LEU 589 HD22 LEU 589 -13.367 4.699 6.458 619 HD23 LEU 589 HD23 LEU 589 -13.381 2.945 6.279 620 H ILE 590 HN ILE 590 -11.068 4.187 1.063 621 HA ILE 590 HA ILE 590 -8.919 2.386 1.906 622 HB ILE 590 HB ILE 590 -8.760 4.803 0.093 623 HG12 ILE 590 HG12 ILE 590 -9.042 1.894 -0.667 624 HG13 ILE 590 HG13 ILE 590 -10.254 3.146 -0.877 625 HG21 ILE 590 HG21 ILE 590 -6.627 4.215 1.037 626 HG22 ILE 590 HG22 ILE 590 -6.653 3.773 -0.670 627 HG23 ILE 590 HG23 ILE 590 -6.845 2.530 0.566 628 HD11 ILE 590 HD11 ILE 590 -9.146 2.684 -2.974 629 HD12 ILE 590 HD12 ILE 590 -7.578 3.031 -2.248 630 HD13 ILE 590 HD13 ILE 590 -8.766 4.320 -2.437 631 H ARG 591 HN ARG 591 -7.928 2.856 3.768 632 HA ARG 591 HA ARG 591 -7.508 5.647 4.504 633 HB2 ARG 591 HB2 ARG 591 -8.439 5.287 6.779 634 HB3 ARG 591 HB3 ARG 591 -9.645 5.234 5.503 635 HG2 ARG 591 HG2 ARG 591 -9.600 2.788 5.580 636 HG3 ARG 591 HG3 ARG 591 -8.420 2.863 6.888 637 HD2 ARG 591 HD2 ARG 591 -11.171 4.090 7.003 638 HD3 ARG 591 HD3 ARG 591 -10.767 2.501 7.642 639 HE ARG 591 HE ARG 591 -9.190 4.726 8.653 640 HH11 ARG 591 HH11 ARG 591 -11.898 2.561 9.144 641 HH12 ARG 591 HH12 ARG 591 -11.994 2.859 10.848 642 HH21 ARG 591 HH21 ARG 591 -9.301 5.103 10.905 643 HH22 ARG 591 HH22 ARG 591 -10.510 4.302 11.855 644 H MET 592 HN MET 592 -6.224 5.853 6.542 645 HA MET 592 HA MET 592 -3.782 4.509 6.135 646 HB2 MET 592 HB2 MET 592 -4.670 6.052 8.584 647 HB3 MET 592 HB3 MET 592 -3.013 5.717 8.110 648 HG2 MET 592 HG2 MET 592 -4.515 7.111 6.040 649 HG3 MET 592 HG3 MET 592 -4.445 7.997 7.561 650 HE1 MET 592 HE1 MET 592 -1.750 5.543 5.963 651 HE2 MET 592 HE2 MET 592 -0.727 6.718 5.133 652 HE3 MET 592 HE3 MET 592 -2.388 6.464 4.600 653 H SER 593 HN SER 593 -2.763 2.861 7.293 654 HA SER 593 HA SER 593 -4.553 1.113 8.778 655 HB2 SER 593 HB2 SER 593 -3.025 0.200 7.033 656 HB3 SER 593 HB3 SER 593 -1.651 0.693 8.019 657 HG SER 593 HG SER 593 -2.260 -1.525 8.297 658 H THR 594 HN THR 594 -4.647 1.047 10.919 659 HA THR 594 HA THR 594 -2.622 2.434 12.492 660 HB THR 594 HB THR 594 -4.248 1.872 14.396 661 HG1 THR 594 HG1 THR 594 -6.112 0.938 13.886 662 HG21 THR 594 HG21 THR 594 -5.207 3.619 12.124 663 HG22 THR 594 HG22 THR 594 -4.094 4.103 13.404 664 HG23 THR 594 HG23 THR 594 -5.767 3.703 13.794 665 H ARG 595 HN ARG 595 -3.640 -0.706 11.597 666 HA ARG 595 HA ARG 595 -2.514 -2.073 13.860 667 HB2 ARG 595 HB2 ARG 595 -3.563 -3.071 11.211 668 HB3 ARG 595 HB3 ARG 595 -2.993 -4.124 12.499 669 HG2 ARG 595 HG2 ARG 595 -4.721 -3.303 13.979 670 HG3 ARG 595 HG3 ARG 595 -5.264 -2.165 12.746 671 HD2 ARG 595 HD2 ARG 595 -6.705 -4.124 12.820 672 HD3 ARG 595 HD3 ARG 595 -5.851 -4.028 11.282 673 HE ARG 595 HE ARG 595 -4.243 -5.676 12.520 674 HH11 ARG 595 HH11 ARG 595 -7.738 -5.591 12.755 675 HH12 ARG 595 HH12 ARG 595 -7.892 -7.302 12.967 676 HH21 ARG 595 HH21 ARG 595 -4.448 -7.936 12.787 677 HH22 ARG 595 HH22 ARG 595 -6.021 -8.639 12.981 678 H TYR 596 HN TYR 596 -1.549 -1.451 10.512 679 HA TYR 596 HA TYR 596 1.119 -2.496 11.207 680 HB2 TYR 596 HB2 TYR 596 -0.277 -2.430 8.526 681 HB3 TYR 596 HB3 TYR 596 1.435 -2.781 8.715 682 HD1 TYR 596 HD1 TYR 596 1.993 -4.994 8.601 683 HD2 TYR 596 HD2 TYR 596 -1.786 -3.954 10.253 684 HE1 TYR 596 HE1 TYR 596 1.494 -7.376 8.943 685 HE2 TYR 596 HE2 TYR 596 -2.294 -6.333 10.601 686 HH TYR 596 HH TYR 596 -1.660 -8.476 9.882 687 H LYS 597 HN LYS 597 2.756 -1.138 11.143 688 HA LYS 597 HA LYS 597 2.317 1.567 10.148 689 HB2 LYS 597 HB2 LYS 597 4.560 0.365 11.775 690 HB3 LYS 597 HB3 LYS 597 4.564 2.018 11.188 691 HG2 LYS 597 HG2 LYS 597 3.849 2.175 13.404 692 HG3 LYS 597 HG3 LYS 597 2.375 2.314 12.449 693 HD2 LYS 597 HD2 LYS 597 1.957 0.864 14.322 694 HD3 LYS 597 HD3 LYS 597 1.949 -0.100 12.846 695 HE2 LYS 597 HE2 LYS 597 3.160 -1.237 14.636 696 HE3 LYS 597 HE3 LYS 597 4.234 -0.830 13.301 697 HZ1 LYS 597 HZ1 LYS 597 5.262 -0.344 15.420 698 HZ2 LYS 597 HZ2 LYS 597 3.986 0.675 15.849 699 HZ3 LYS 597 HZ3 LYS 597 5.005 1.091 14.565 700 H GLU 598 HN GLU 598 3.970 -1.357 9.395 701 HA GLU 598 HA GLU 598 4.864 -0.300 6.852 702 HB2 GLU 598 HB2 GLU 598 7.211 -1.046 7.221 703 HB3 GLU 598 HB3 GLU 598 6.750 0.302 8.250 704 HG2 GLU 598 HG2 GLU 598 6.232 -1.483 10.018 705 HG3 GLU 598 HG3 GLU 598 7.168 -2.567 8.992 706 H LEU 599 HN LEU 599 5.132 -1.927 5.316 707 HA LEU 599 HA LEU 599 4.174 -4.561 6.152 708 HB2 LEU 599 HB2 LEU 599 4.636 -3.399 3.409 709 HB3 LEU 599 HB1 LEU 599 4.075 -5.032 3.703 710 HG LEU 599 HG LEU 599 2.604 -2.481 4.370 711 HD11 LEU 599 HD11 LEU 599 1.035 -3.210 2.710 712 HD12 LEU 599 HD12 LEU 599 1.925 -4.714 2.474 713 HD13 LEU 599 HD13 LEU 599 2.646 -3.180 1.987 714 HD21 LEU 599 HD21 LEU 599 0.782 -3.907 5.092 715 HD22 LEU 599 HD22 LEU 599 2.215 -4.205 6.077 716 HD23 LEU 599 HD23 LEU 599 1.764 -5.338 4.801 717 H GLN 600 HN GLN 600 5.474 -6.208 6.499 718 HA GLN 600 HA GLN 600 8.189 -6.113 5.358 719 HB2 GLN 600 HB2 GLN 600 7.249 -7.476 7.887 720 HB3 GLN 600 HB3 GLN 600 8.896 -7.477 7.274 721 HG2 GLN 600 HG2 GLN 600 9.059 -5.089 7.615 722 HG3 GLN 600 HG3 GLN 600 7.375 -5.026 8.132 723 HE21 GLN 600 HE21 GLN 600 9.538 -7.621 9.002 724 HE22 GLN 600 HE22 GLN 600 9.648 -7.227 10.675 725 H LEU 601 HN LEU 601 7.388 -7.146 3.436 726 HA LEU 601 HA LEU 601 6.048 -9.617 3.417 727 HB2 LEU 601 HB2 LEU 601 7.828 -8.308 1.373 728 HB3 LEU 601 HB1 LEU 601 7.014 -9.832 1.082 729 HG LEU 601 HG LEU 601 5.743 -7.137 1.520 730 HD11 LEU 601 HD11 LEU 601 6.584 -7.515 -0.719 731 HD12 LEU 601 HD12 LEU 601 4.820 -7.568 -0.720 732 HD13 LEU 601 HD13 LEU 601 5.748 -9.066 -0.796 733 HD21 LEU 601 HD21 LEU 601 4.418 -8.770 2.709 734 HD22 LEU 601 HD22 LEU 601 4.444 -9.850 1.316 735 HD23 LEU 601 HD23 LEU 601 3.591 -8.309 1.223 736 H LYS 602 HN LYS 602 6.719 -11.691 3.181 737 HA LYS 602 HA LYS 602 9.290 -12.380 4.248 738 HB2 LYS 602 HB2 LYS 602 8.553 -14.635 4.231 739 HB3 LYS 602 HB3 LYS 602 7.165 -13.669 4.692 740 HG2 LYS 602 HG2 LYS 602 7.662 -14.758 1.926 741 HG3 LYS 602 HG3 LYS 602 6.627 -15.514 3.134 742 HD2 LYS 602 HD2 LYS 602 6.207 -12.733 2.040 743 HD3 LYS 602 HD3 LYS 602 5.413 -14.173 1.412 744 HE2 LYS 602 HE2 LYS 602 5.199 -13.211 4.261 745 HE3 LYS 602 HE3 LYS 602 4.019 -12.868 3.002 746 HZ1 LYS 602 HZ1 LYS 602 4.758 -15.555 4.027 747 HZ2 LYS 602 HZ2 LYS 602 3.684 -15.265 2.755 748 HZ3 LYS 602 HZ3 LYS 602 3.309 -14.733 4.313 749 H LYS 603 HN LYS 603 8.348 -11.439 1.259 750 HA LYS 603 HA LYS 603 9.875 -13.265 -0.341 751 HB2 LYS 603 HB2 LYS 603 8.558 -10.615 -0.917 752 HB3 LYS 603 HB3 LYS 603 9.505 -11.473 -2.122 753 HG2 LYS 603 HG2 LYS 603 7.983 -13.383 -1.946 754 HG3 LYS 603 HG3 LYS 603 7.028 -12.499 -0.755 755 HD2 LYS 603 HD2 LYS 603 6.428 -10.838 -2.364 756 HD3 LYS 603 HD3 LYS 603 7.566 -11.491 -3.544 757 HE2 LYS 603 HE2 LYS 603 5.296 -12.149 -4.101 758 HE3 LYS 603 HE3 LYS 603 6.256 -13.558 -3.655 759 HZ1 LYS 603 HZ1 LYS 603 5.245 -13.489 -1.453 760 HZ2 LYS 603 HZ2 LYS 603 4.067 -13.641 -2.655 761 HZ3 LYS 603 HZ3 LYS 603 4.313 -12.151 -1.900 762 HA PRO 604 HA PRO 604 13.688 -11.062 0.525 763 HB2 PRO 604 HB2 PRO 604 15.357 -12.838 -0.597 764 HB3 PRO 604 HB3 PRO 604 14.549 -13.172 0.939 765 HG2 PRO 604 HG2 PRO 604 13.869 -14.129 -1.810 766 HG3 PRO 604 HG3 PRO 604 13.857 -15.021 -0.279 767 HD2 PRO 604 HD2 PRO 604 11.614 -13.963 -1.470 768 HD3 PRO 604 HD3 PRO 604 11.762 -14.282 0.270 769 H GLY 605 HN GLY 605 12.265 -11.815 -2.491 770 HA2 GLY 605 HA2 GLY 605 14.311 -10.266 -3.937 771 HA3 GLY 605 HA1 GLY 605 13.208 -11.415 -4.680 772 H LYS 606 HN LYS 606 13.549 -8.226 -3.322 773 HA LYS 606 HA LYS 606 10.969 -7.472 -4.520 774 HB2 LYS 606 HB2 LYS 606 12.597 -6.152 -2.346 775 HB3 LYS 606 HB3 LYS 606 11.198 -5.407 -3.096 776 HG2 LYS 606 HG2 LYS 606 11.175 -8.004 -1.575 777 HG3 LYS 606 HG3 LYS 606 10.686 -6.437 -0.932 778 HD2 LYS 606 HD2 LYS 606 9.391 -7.958 -3.193 779 HD3 LYS 606 HD3 LYS 606 8.721 -7.674 -1.587 780 HE2 LYS 606 HE2 LYS 606 9.217 -5.650 -3.765 781 HE3 LYS 606 HE3 LYS 606 7.668 -6.148 -3.090 782 HZ1 LYS 606 HZ1 LYS 606 8.392 -5.180 -0.957 783 HZ2 LYS 606 HZ2 LYS 606 8.273 -4.033 -2.195 784 HZ3 LYS 606 HZ3 LYS 606 9.795 -4.599 -1.707 785 H ASN 607 HN ASN 607 10.925 -6.054 -6.155 786 HA ASN 607 HA ASN 607 13.262 -4.379 -6.668 787 HB2 ASN 607 HB2 ASN 607 12.047 -6.284 -8.669 788 HB3 ASN 607 HB3 ASN 607 13.006 -4.891 -9.156 789 HD21 ASN 607 HD21 ASN 607 15.210 -4.853 -8.688 790 HD22 ASN 607 HD22 ASN 607 16.085 -6.284 -8.272 791 H VAL 608 HN VAL 608 9.972 -5.215 -7.655 792 HA VAL 608 HA VAL 608 8.136 -3.988 -8.146 793 HB VAL 608 HB VAL 608 9.666 -1.610 -7.066 794 HG11 VAL 608 HG11 VAL 608 6.711 -1.984 -7.562 795 HG12 VAL 608 HG12 VAL 608 7.796 -0.938 -8.478 796 HG13 VAL 608 HG13 VAL 608 7.454 -0.586 -6.784 797 HG21 VAL 608 HG21 VAL 608 9.436 -3.362 -5.390 798 HG22 VAL 608 HG22 VAL 608 7.701 -3.448 -5.701 799 HG23 VAL 608 HG23 VAL 608 8.400 -1.987 -5.001 800 H ALA 609 HN ALA 609 10.474 -1.406 -8.733 801 HA ALA 609 HA ALA 609 10.384 -1.920 -11.603 802 HB1 ALA 609 HB1 ALA 609 8.676 -0.279 -11.319 803 HB2 ALA 609 HB2 ALA 609 10.095 0.548 -11.966 804 HB3 ALA 609 HB3 ALA 609 9.702 0.674 -10.250 805 H ALA 610 HN ALA 610 11.631 0.407 -9.200 806 HA ALA 610 HA ALA 610 14.326 -0.526 -9.621 807 HB1 ALA 610 HB1 ALA 610 13.717 2.343 -10.319 808 HB2 ALA 610 HB2 ALA 610 14.001 1.069 -11.502 809 HB3 ALA 610 HB3 ALA 610 15.282 1.537 -10.386 810 H ILE 611 HN ILE 611 14.868 -0.783 -7.549 811 HA ILE 611 HA ILE 611 13.919 1.006 -5.503 812 HB ILE 611 HB ILE 611 15.985 -1.195 -5.273 813 HG12 ILE 611 HG12 ILE 611 13.016 -1.209 -4.673 814 HG13 ILE 611 HG13 ILE 611 13.797 -2.046 -6.011 815 HG21 ILE 611 HG21 ILE 611 15.489 -1.084 -2.865 816 HG22 ILE 611 HG22 ILE 611 14.419 0.287 -3.157 817 HG23 ILE 611 HG23 ILE 611 16.148 0.436 -3.471 818 HD11 ILE 611 HD11 ILE 611 15.010 -3.445 -4.422 819 HD12 ILE 611 HD12 ILE 611 13.264 -3.574 -4.208 820 HD13 ILE 611 HD13 ILE 611 14.221 -2.607 -3.085 821 H ILE 612 HN ILE 612 14.752 2.963 -6.295 822 HA ILE 612 HA ILE 612 17.565 3.390 -6.599 823 HB ILE 612 HB ILE 612 15.378 5.449 -6.273 824 HG12 ILE 612 HG12 ILE 612 16.414 4.209 -8.833 825 HG13 ILE 612 HG13 ILE 612 14.867 3.821 -8.086 826 HG21 ILE 612 HG21 ILE 612 17.595 6.380 -6.062 827 HG22 ILE 612 HG22 ILE 612 16.911 6.857 -7.616 828 HG23 ILE 612 HG23 ILE 612 18.112 5.569 -7.539 829 HD11 ILE 612 HD11 ILE 612 14.582 5.372 -9.923 830 HD12 ILE 612 HD12 ILE 612 15.691 6.510 -9.160 831 HD13 ILE 612 HD13 ILE 612 14.147 6.137 -8.395 832 H GLN 613 HN GLN 613 18.755 3.118 -4.782 833 HA GLN 613 HA GLN 613 17.702 3.937 -2.204 834 HB2 GLN 613 HB2 GLN 613 20.334 2.645 -2.935 835 HB3 GLN 613 HB3 GLN 613 19.769 2.934 -1.295 836 HG2 GLN 613 HG2 GLN 613 17.842 1.458 -1.736 837 HG3 GLN 613 HG3 GLN 613 18.498 1.123 -3.337 838 HE21 GLN 613 HE21 GLN 613 21.262 1.183 -2.301 839 HE22 GLN 613 HE22 GLN 613 21.476 -0.325 -1.486 840 H ASP 614 HN ASP 614 19.991 5.039 -4.569 841 HA ASP 614 HA ASP 614 21.450 6.818 -2.920 842 HB2 ASP 614 HB2 ASP 614 20.930 6.921 -5.900 843 HB3 ASP 614 HB3 ASP 614 22.103 7.923 -5.051 844 H ILE 615 HN ILE 615 18.762 7.368 -5.158 845 HA ILE 615 HA ILE 615 18.077 9.782 -3.622 846 HB ILE 615 HB ILE 615 17.400 9.178 -6.508 847 HG12 ILE 615 HG12 ILE 615 19.338 11.212 -5.384 848 HG13 ILE 615 HG13 ILE 615 19.808 9.683 -6.118 849 HG21 ILE 615 HG21 ILE 615 16.928 11.655 -4.853 850 HG22 ILE 615 HG22 ILE 615 15.696 10.519 -5.398 851 HG23 ILE 615 HG23 ILE 615 16.584 11.488 -6.574 852 HD11 ILE 615 HD11 ILE 615 18.350 11.926 -7.496 853 HD12 ILE 615 HD12 ILE 615 18.830 10.398 -8.233 854 HD13 ILE 615 HD13 ILE 615 20.058 11.531 -7.674 855 H HIS 616 HN HIS 616 16.516 9.185 -2.227 856 HA HIS 616 HA HIS 616 14.643 7.099 -2.863 857 HB2 HIS 616 HB2 HIS 616 14.778 8.993 -0.508 858 HB3 HIS 616 HB3 HIS 616 13.637 7.660 -0.652 859 HD1 HIS 616 HD1 HIS 616 16.188 8.178 1.402 860 HD2 HIS 616 HD2 HIS 616 15.749 5.328 -1.591 861 HE1 HIS 616 HE1 HIS 616 17.755 6.312 2.010 862 HE2 HIS 616 HE2 HIS 616 17.325 4.525 0.292 863 H SER 617 HN SER 617 14.104 8.428 -4.857 864 HA SER 617 HA SER 617 11.472 9.400 -4.641 865 HB2 SER 617 HB2 SER 617 12.776 11.394 -3.734 866 HB3 SER 617 HB3 SER 617 13.505 11.543 -5.331 867 HG SER 617 HG SER 617 11.338 12.676 -4.606 868 H GLN 618 HN GLN 618 11.721 11.124 -6.987 869 HA GLN 618 HA GLN 618 11.804 11.072 -9.248 870 HB2 GLN 618 HB2 GLN 618 13.713 8.789 -8.823 871 HB3 GLN 618 HB3 GLN 618 13.408 9.558 -10.373 872 HG2 GLN 618 HG2 GLN 618 14.245 11.688 -9.359 873 HG3 GLN 618 HG3 GLN 618 14.716 10.750 -7.942 874 HE21 GLN 618 HE21 GLN 618 16.343 9.167 -8.166 875 HE22 GLN 618 HE22 GLN 618 17.488 9.239 -9.460 876 H ARG 619 HN ARG 619 11.044 9.859 -11.080 877 HA ARG 619 HA ARG 619 9.147 7.792 -10.375 878 HB2 ARG 619 HB2 ARG 619 9.843 9.084 -13.019 879 HB3 ARG 619 HB3 ARG 619 8.581 7.878 -12.812 880 HG2 ARG 619 HG2 ARG 619 7.334 9.350 -11.384 881 HG3 ARG 619 HG3 ARG 619 8.643 10.533 -11.400 882 HD2 ARG 619 HD2 ARG 619 6.847 11.188 -12.916 883 HD3 ARG 619 HD3 ARG 619 8.335 10.852 -13.795 884 HE ARG 619 HE ARG 619 6.735 8.531 -13.714 885 HH11 ARG 619 HH11 ARG 619 6.897 11.686 -15.220 886 HH12 ARG 619 HH12 ARG 619 5.991 11.207 -16.622 887 HH21 ARG 619 HH21 ARG 619 5.562 7.885 -15.570 888 HH22 ARG 619 HH22 ARG 619 5.242 9.037 -16.826 889 H GLU 620 HN GLU 620 10.134 5.916 -9.907 890 HA GLU 620 HA GLU 620 12.535 4.992 -11.004 891 HB2 GLU 620 HB2 GLU 620 11.893 2.799 -10.047 892 HB3 GLU 620 HB3 GLU 620 11.712 4.123 -8.908 893 HG2 GLU 620 HG2 GLU 620 9.277 4.155 -9.489 894 HG3 GLU 620 HG3 GLU 620 9.550 2.670 -10.399 895 H ARG 621 HN ARG 621 13.013 3.613 -12.666 896 HA ARG 621 HA ARG 621 11.023 3.621 -14.797 897 HB2 ARG 621 HB2 ARG 621 13.986 3.028 -14.857 898 HB3 ARG 621 HB3 ARG 621 12.940 3.142 -16.266 899 HG2 ARG 621 HG2 ARG 621 12.586 5.463 -15.922 900 HG3 ARG 621 HG3 ARG 621 13.357 5.405 -14.335 901 HD2 ARG 621 HD2 ARG 621 14.832 6.365 -16.049 902 HD3 ARG 621 HD3 ARG 621 15.491 4.884 -15.356 903 HE ARG 621 HE ARG 621 13.975 4.430 -17.746 904 HH11 ARG 621 HH11 ARG 621 17.118 5.358 -16.515 905 HH12 ARG 621 HH12 ARG 621 17.967 4.807 -17.924 906 HH21 ARG 621 HH21 ARG 621 15.086 3.704 -19.590 907 HH22 ARG 621 HH22 ARG 621 16.811 3.878 -19.681 Start of MODEL 16 1 H1 GLY 510 HT1 GLY 510 21.327 -1.717 -1.009 2 H2 GLY 510 HT2 GLY 510 19.957 -2.645 -1.351 3 H3 GLY 510 HT3 GLY 510 20.460 -2.442 0.246 4 HA2 GLY 510 HA1 GLY 510 19.982 -0.088 0.144 5 HA3 GLY 510 HA2 GLY 510 19.474 -0.281 -1.527 6 H ALA 511 HN ALA 511 17.547 0.798 -0.385 7 HA ALA 511 HA ALA 511 15.839 -1.137 0.979 8 HB1 ALA 511 HB1 ALA 511 16.050 1.181 1.850 9 HB2 ALA 511 HB2 ALA 511 14.391 0.714 1.478 10 HB3 ALA 511 HB3 ALA 511 15.280 1.764 0.375 11 H MET 512 HN MET 512 15.248 -2.544 -0.630 12 HA MET 512 HA MET 512 14.441 -1.939 -3.220 13 HB2 MET 512 HB2 MET 512 13.324 -4.157 -1.491 14 HB3 MET 512 HB3 MET 512 13.303 -4.093 -3.245 15 HG2 MET 512 HG2 MET 512 15.019 -5.577 -2.698 16 HG3 MET 512 HG3 MET 512 15.831 -4.076 -3.136 17 HE1 MET 512 HE1 MET 512 14.799 -6.505 -0.259 18 HE2 MET 512 HE2 MET 512 13.967 -5.034 0.241 19 HE3 MET 512 HE3 MET 512 15.328 -5.638 1.183 20 H ALA 513 HN ALA 513 12.371 -2.526 -0.394 21 HA ALA 513 HA ALA 513 10.198 -1.091 -1.724 22 HB1 ALA 513 HB1 ALA 513 8.791 -1.941 0.089 23 HB2 ALA 513 HB2 ALA 513 10.203 -2.696 0.827 24 HB3 ALA 513 HB3 ALA 513 9.631 -3.245 -0.748 25 H GLN 514 HN GLN 514 8.835 0.125 0.121 26 HA GLN 514 HA GLN 514 8.648 1.976 1.400 27 HB2 GLN 514 HB2 GLN 514 11.479 1.366 2.255 28 HB3 GLN 514 HB3 GLN 514 10.436 2.571 2.998 29 HG2 GLN 514 HG2 GLN 514 8.895 0.851 3.710 30 HG3 GLN 514 HG3 GLN 514 9.845 -0.379 2.880 31 HE21 GLN 514 HE21 GLN 514 12.380 0.828 3.659 32 HE22 GLN 514 HE22 GLN 514 12.593 0.453 5.332 33 H ARG 515 HN ARG 515 11.877 1.860 -0.077 34 HA ARG 515 HA ARG 515 12.881 3.167 -1.636 35 HB2 ARG 515 HB2 ARG 515 10.258 4.674 -1.796 36 HB3 ARG 515 HB3 ARG 515 11.604 4.821 -2.913 37 HG2 ARG 515 HG2 ARG 515 10.309 2.166 -2.451 38 HG3 ARG 515 HG3 ARG 515 9.589 3.346 -3.549 39 HD2 ARG 515 HD2 ARG 515 11.015 1.781 -4.766 40 HD3 ARG 515 HD3 ARG 515 11.663 3.417 -4.843 41 HE ARG 515 HE ARG 515 12.724 1.485 -2.892 42 HH11 ARG 515 HH11 ARG 515 13.191 3.553 -5.683 43 HH12 ARG 515 HH12 ARG 515 14.922 3.460 -5.619 44 HH21 ARG 515 HH21 ARG 515 15.006 1.358 -2.810 45 HH22 ARG 515 HH22 ARG 515 15.952 2.213 -3.994 46 H LYS 516 HN LYS 516 10.812 5.203 0.396 47 HA LYS 516 HA LYS 516 13.143 6.930 0.909 48 HB2 LYS 516 HB2 LYS 516 10.181 7.534 0.823 49 HB3 LYS 516 HB3 LYS 516 11.372 8.658 1.470 50 HG2 LYS 516 HG2 LYS 516 11.543 7.550 -1.315 51 HG3 LYS 516 HG3 LYS 516 10.650 9.017 -0.921 52 HD2 LYS 516 HD2 LYS 516 13.458 8.804 0.020 53 HD3 LYS 516 HD3 LYS 516 13.180 9.086 -1.698 54 HE2 LYS 516 HE2 LYS 516 13.464 11.185 -0.473 55 HE3 LYS 516 HE3 LYS 516 11.861 11.059 -1.186 56 HZ1 LYS 516 HZ1 LYS 516 11.770 11.929 1.063 57 HZ2 LYS 516 HZ2 LYS 516 12.524 10.541 1.662 58 HZ3 LYS 516 HZ3 LYS 516 10.986 10.435 0.975 59 H GLY 517 HN GLY 517 12.805 8.134 3.099 60 HA2 GLY 517 HA2 GLY 517 12.650 6.109 5.139 61 HA3 GLY 517 HA1 GLY 517 13.026 7.810 5.378 62 H ALA 518 HN ALA 518 10.292 5.818 4.335 63 HA ALA 518 HA ALA 518 8.591 7.003 6.361 64 HB1 ALA 518 HB1 ALA 518 6.846 7.628 4.714 65 HB2 ALA 518 HB2 ALA 518 7.997 7.310 3.417 66 HB3 ALA 518 HB3 ALA 518 8.308 8.603 4.574 67 H GLY 519 HN GLY 519 7.930 5.342 3.285 68 HA2 GLY 519 HA2 GLY 519 6.802 3.388 2.841 69 HA3 GLY 519 HA1 GLY 519 7.902 2.723 4.038 70 H ARG 520 HN ARG 520 4.827 4.494 3.792 71 HA ARG 520 HA ARG 520 4.044 3.294 6.352 72 HB2 ARG 520 HB2 ARG 520 3.067 5.763 4.924 73 HB3 ARG 520 HB3 ARG 520 2.205 5.055 6.286 74 HG2 ARG 520 HG2 ARG 520 4.285 5.301 7.636 75 HG3 ARG 520 HG3 ARG 520 4.997 6.177 6.279 76 HD2 ARG 520 HD2 ARG 520 3.252 7.861 6.425 77 HD3 ARG 520 HD3 ARG 520 2.476 6.968 7.732 78 HE ARG 520 HE ARG 520 5.156 7.533 8.414 79 HH11 ARG 520 HH11 ARG 520 2.029 9.076 8.113 80 HH12 ARG 520 HH12 ARG 520 2.414 10.349 9.224 81 HH21 ARG 520 HH21 ARG 520 5.656 9.202 9.879 82 HH22 ARG 520 HH22 ARG 520 4.470 10.420 10.233 83 H VAL 521 HN VAL 521 2.098 2.245 6.592 84 HA VAL 521 HA VAL 521 1.153 1.027 4.116 85 HB VAL 521 HB VAL 521 0.742 0.183 6.989 86 HG11 VAL 521 HG11 VAL 521 -0.107 -1.918 6.050 87 HG12 VAL 521 HG12 VAL 521 0.007 -1.234 4.429 88 HG13 VAL 521 HG13 VAL 521 -1.119 -0.547 5.599 89 HG21 VAL 521 HG21 VAL 521 2.262 -1.680 6.326 90 HG22 VAL 521 HG22 VAL 521 3.026 -0.091 6.361 91 HG23 VAL 521 HG23 VAL 521 2.572 -0.816 4.820 92 H VAL 522 HN VAL 522 -0.787 1.265 3.330 93 HA VAL 522 HA VAL 522 -2.823 2.698 4.888 94 HB VAL 522 HB VAL 522 -2.581 2.267 1.905 95 HG11 VAL 522 HG11 VAL 522 -4.694 3.740 3.449 96 HG12 VAL 522 HG12 VAL 522 -4.908 2.229 2.562 97 HG13 VAL 522 HG13 VAL 522 -4.520 3.714 1.695 98 HG21 VAL 522 HG21 VAL 522 -2.307 4.698 1.827 99 HG22 VAL 522 HG22 VAL 522 -1.036 3.929 2.780 100 HG23 VAL 522 HG23 VAL 522 -2.369 4.756 3.588 101 H HIS 523 HN HIS 523 -4.749 1.741 5.331 102 HA HIS 523 HA HIS 523 -4.947 -1.122 4.677 103 HB2 HIS 523 HB2 HIS 523 -4.786 -0.719 7.061 104 HB3 HIS 523 HB3 HIS 523 -6.071 0.477 6.990 105 HD1 HIS 523 HD1 HIS 523 -7.499 -0.785 8.697 106 HD2 HIS 523 HD2 HIS 523 -6.625 -3.006 5.300 107 HE1 HIS 523 HE1 HIS 523 -9.024 -2.777 8.783 108 HE2 HIS 523 HE2 HIS 523 -8.668 -3.937 6.581 109 H ILE 524 HN ILE 524 -6.521 -1.776 3.399 110 HA ILE 524 HA ILE 524 -8.684 0.100 2.752 111 HB ILE 524 HB ILE 524 -7.624 -2.266 1.203 112 HG12 ILE 524 HG12 ILE 524 -7.473 0.710 0.679 113 HG13 ILE 524 HG13 ILE 524 -6.140 -0.304 1.214 114 HG21 ILE 524 HG21 ILE 524 -9.118 -1.457 -0.608 115 HG22 ILE 524 HG22 ILE 524 -9.855 -0.348 0.550 116 HG23 ILE 524 HG23 ILE 524 -9.978 -2.092 0.794 117 HD11 ILE 524 HD11 ILE 524 -7.592 -0.569 -1.406 118 HD12 ILE 524 HD12 ILE 524 -6.211 -1.530 -0.872 119 HD13 ILE 524 HD13 ILE 524 -6.022 0.199 -1.167 120 H CYS 525 HN CYS 525 -10.756 -0.400 3.129 121 HA CYS 525 HA CYS 525 -11.318 -3.022 4.348 122 HB2 CYS 525 HB2 CYS 525 -12.615 -0.354 4.933 123 HB3 CYS 525 HB3 CYS 525 -13.046 -1.883 5.683 124 HG CYS 525 HG CYS 525 -11.226 -1.904 7.510 125 H ASN 526 HN ASN 526 -13.784 -3.440 4.344 126 HA ASN 526 HA ASN 526 -15.750 -3.826 3.278 127 HB2 ASN 526 HB2 ASN 526 -14.985 -1.552 1.437 128 HB3 ASN 526 HB3 ASN 526 -16.584 -2.265 1.597 129 HD21 ASN 526 HD21 ASN 526 -16.498 -2.518 4.459 130 HD22 ASN 526 HD22 ASN 526 -16.622 -0.921 5.108 131 H LEU 527 HN LEU 527 -13.263 -5.100 2.551 132 HA LEU 527 HA LEU 527 -13.398 -5.490 -0.324 133 HB2 LEU 527 HB2 LEU 527 -11.498 -6.439 1.809 134 HB3 LEU 527 HB1 LEU 527 -11.388 -6.962 0.137 135 HG LEU 527 HG LEU 527 -11.260 -4.064 0.964 136 HD11 LEU 527 HD11 LEU 527 -9.399 -5.368 1.941 137 HD12 LEU 527 HD12 LEU 527 -8.874 -4.196 0.730 138 HD13 LEU 527 HD13 LEU 527 -8.970 -5.911 0.317 139 HD21 LEU 527 HD21 LEU 527 -11.916 -4.412 -1.333 140 HD22 LEU 527 HD22 LEU 527 -10.574 -5.527 -1.578 141 HD23 LEU 527 HD23 LEU 527 -10.256 -3.820 -1.275 142 HA PRO 528 HA PRO 528 -15.904 -9.191 0.205 143 HB2 PRO 528 HB2 PRO 528 -15.929 -9.850 -2.435 144 HB3 PRO 528 HB3 PRO 528 -16.976 -8.611 -1.737 145 HG2 PRO 528 HG2 PRO 528 -14.403 -8.292 -3.235 146 HG3 PRO 528 HG3 PRO 528 -15.901 -7.353 -3.372 147 HD2 PRO 528 HD2 PRO 528 -13.753 -6.475 -1.987 148 HD3 PRO 528 HD3 PRO 528 -15.417 -6.078 -1.512 149 H GLU 529 HN GLU 529 -15.322 -11.253 0.591 150 HA GLU 529 HA GLU 529 -12.613 -12.021 0.488 151 HB2 GLU 529 HB2 GLU 529 -14.902 -13.970 0.692 152 HB3 GLU 529 HB3 GLU 529 -13.286 -14.120 1.363 153 HG2 GLU 529 HG2 GLU 529 -14.441 -13.599 3.242 154 HG3 GLU 529 HG3 GLU 529 -14.009 -11.977 2.705 155 H GLY 530 HN GLY 530 -11.429 -12.781 -1.126 156 HA2 GLY 530 HA2 GLY 530 -10.805 -14.146 -2.874 157 HA3 GLY 530 HA1 GLY 530 -12.427 -14.810 -2.883 158 H SER 531 HN SER 531 -13.335 -11.841 -3.160 159 HA SER 531 HA SER 531 -13.388 -11.974 -6.061 160 HB2 SER 531 HB2 SER 531 -15.472 -11.554 -4.780 161 HB3 SER 531 HB3 SER 531 -14.782 -10.047 -4.185 162 HG SER 531 HG SER 531 -14.688 -10.284 -6.916 163 H CYS 532 HN CYS 532 -11.534 -10.496 -3.697 164 HA CYS 532 HA CYS 532 -10.907 -8.107 -5.203 165 HB2 CYS 532 HB2 CYS 532 -9.606 -9.231 -2.712 166 HB3 CYS 532 HB3 CYS 532 -9.367 -7.617 -3.372 167 HG CYS 532 HG CYS 532 -12.100 -8.864 -1.771 168 H THR 533 HN THR 533 -9.139 -7.803 -6.474 169 HA THR 533 HA THR 533 -7.383 -10.126 -6.865 170 HB THR 533 HB THR 533 -6.843 -9.247 -9.043 171 HG1 THR 533 HG1 THR 533 -8.479 -7.177 -9.336 172 HG21 THR 533 HG21 THR 533 -9.820 -9.020 -8.583 173 HG22 THR 533 HG22 THR 533 -8.939 -10.514 -8.899 174 HG23 THR 533 HG23 THR 533 -9.031 -9.265 -10.141 175 H GLU 534 HN GLU 534 -5.061 -9.652 -7.222 176 HA GLU 534 HA GLU 534 -4.029 -7.880 -5.280 177 HB2 GLU 534 HB2 GLU 534 -2.587 -9.051 -7.669 178 HB3 GLU 534 HB3 GLU 534 -1.837 -8.366 -6.233 179 HG2 GLU 534 HG2 GLU 534 -2.731 -10.152 -4.873 180 HG3 GLU 534 HG3 GLU 534 -3.584 -10.814 -6.266 181 H ASN 535 HN ASN 535 -4.333 -7.666 -8.792 182 HA ASN 535 HA ASN 535 -2.783 -5.334 -9.093 183 HB2 ASN 535 HB2 ASN 535 -4.849 -6.607 -10.882 184 HB3 ASN 535 HB3 ASN 535 -3.919 -5.189 -11.352 185 HD21 ASN 535 HD21 ASN 535 -4.011 -7.876 -12.489 186 HD22 ASN 535 HD22 ASN 535 -2.378 -8.440 -12.486 187 H ASP 536 HN ASP 536 -6.313 -5.758 -8.795 188 HA ASP 536 HA ASP 536 -6.905 -3.069 -9.453 189 HB2 ASP 536 HB2 ASP 536 -8.492 -5.188 -8.024 190 HB3 ASP 536 HB3 ASP 536 -9.109 -3.555 -8.246 191 H VAL 537 HN VAL 537 -6.506 -4.703 -6.341 192 HA VAL 537 HA VAL 537 -7.173 -2.507 -4.707 193 HB VAL 537 HB VAL 537 -5.386 -4.866 -4.122 194 HG11 VAL 537 HG11 VAL 537 -4.966 -3.052 -2.547 195 HG12 VAL 537 HG12 VAL 537 -5.782 -4.405 -1.761 196 HG13 VAL 537 HG13 VAL 537 -6.692 -2.958 -2.196 197 HG21 VAL 537 HG21 VAL 537 -7.386 -5.761 -2.976 198 HG22 VAL 537 HG22 VAL 537 -7.603 -5.572 -4.716 199 HG23 VAL 537 HG23 VAL 537 -8.314 -4.399 -3.606 200 H ILE 538 HN ILE 538 -4.068 -3.614 -6.008 201 HA ILE 538 HA ILE 538 -2.470 -1.667 -4.713 202 HB ILE 538 HB ILE 538 -1.975 -3.210 -7.263 203 HG12 ILE 538 HG12 ILE 538 -0.915 -3.663 -4.466 204 HG13 ILE 538 HG13 ILE 538 -2.273 -4.539 -5.165 205 HG21 ILE 538 HG21 ILE 538 -0.594 -1.207 -7.214 206 HG22 ILE 538 HG22 ILE 538 0.393 -2.645 -6.951 207 HG23 ILE 538 HG23 ILE 538 -0.040 -1.611 -5.590 208 HD11 ILE 538 HD11 ILE 538 -0.224 -5.832 -5.271 209 HD12 ILE 538 HD12 ILE 538 0.550 -4.549 -6.202 210 HD13 ILE 538 HD13 ILE 538 -0.810 -5.439 -6.887 211 H ASN 539 HN ASN 539 -3.938 -1.794 -7.943 212 HA ASN 539 HA ASN 539 -2.947 0.677 -8.837 213 HB2 ASN 539 HB2 ASN 539 -5.186 -1.074 -9.746 214 HB3 ASN 539 HB3 ASN 539 -5.038 0.554 -10.400 215 HD21 ASN 539 HD21 ASN 539 -3.574 -2.597 -10.199 216 HD22 ASN 539 HD22 ASN 539 -2.461 -2.373 -11.509 217 H LEU 540 HN LEU 540 -5.659 -0.064 -6.780 218 HA LEU 540 HA LEU 540 -6.974 2.427 -7.058 219 HB2 LEU 540 HB2 LEU 540 -6.933 0.439 -4.807 220 HB3 LEU 540 HB1 LEU 540 -7.890 1.905 -4.759 221 HG LEU 540 HG LEU 540 -8.208 -0.446 -6.606 222 HD11 LEU 540 HD11 LEU 540 -10.499 -0.390 -5.652 223 HD12 LEU 540 HD12 LEU 540 -9.960 0.877 -4.548 224 HD13 LEU 540 HD13 LEU 540 -9.236 -0.729 -4.470 225 HD21 LEU 540 HD21 LEU 540 -8.489 1.473 -8.006 226 HD22 LEU 540 HD22 LEU 540 -9.460 2.289 -6.787 227 HD23 LEU 540 HD23 LEU 540 -10.093 0.862 -7.605 228 H GLY 541 HN GLY 541 -4.307 1.376 -5.007 229 HA2 GLY 541 HA2 GLY 541 -4.329 3.796 -3.446 230 HA3 GLY 541 HA1 GLY 541 -3.085 2.555 -3.426 231 H LEU 542 HN LEU 542 -2.481 2.558 -6.151 232 HA LEU 542 HA LEU 542 -0.309 4.194 -6.178 233 HB2 LEU 542 HB2 LEU 542 -1.855 2.979 -8.428 234 HB3 LEU 542 HB1 LEU 542 -0.400 3.902 -8.727 235 HG LEU 542 HG LEU 542 -0.483 1.488 -6.920 236 HD11 LEU 542 HD11 LEU 542 0.357 1.665 -9.807 237 HD12 LEU 542 HD12 LEU 542 -1.065 0.825 -9.194 238 HD13 LEU 542 HD13 LEU 542 0.546 0.261 -8.758 239 HD21 LEU 542 HD21 LEU 542 1.789 3.000 -8.197 240 HD22 LEU 542 HD22 LEU 542 1.940 1.545 -7.212 241 HD23 LEU 542 HD23 LEU 542 1.341 3.039 -6.492 242 HA PRO 543 HA PRO 543 -2.769 7.340 -9.201 243 HB2 PRO 543 HB2 PRO 543 -5.032 7.568 -7.233 244 HB3 PRO 543 HB3 PRO 543 -5.028 7.870 -8.982 245 HG2 PRO 543 HG2 PRO 543 -5.996 5.611 -8.083 246 HG3 PRO 543 HG3 PRO 543 -4.903 5.582 -9.482 247 HD2 PRO 543 HD2 PRO 543 -4.350 4.873 -6.632 248 HD3 PRO 543 HD3 PRO 543 -3.765 4.103 -8.119 249 H PHE 544 HN PHE 544 -3.002 7.552 -5.614 250 HA PHE 544 HA PHE 544 -1.907 10.269 -5.916 251 HB2 PHE 544 HB2 PHE 544 -3.619 9.125 -3.721 252 HB3 PHE 544 HB1 PHE 544 -2.797 10.679 -3.594 253 HD1 PHE 544 HD1 PHE 544 -5.353 8.790 -5.458 254 HD2 PHE 544 HD2 PHE 544 -3.630 12.602 -4.692 255 HE1 PHE 544 HE1 PHE 544 -7.203 9.861 -6.669 256 HE2 PHE 544 HE2 PHE 544 -5.480 13.683 -5.898 257 HZ PHE 544 HZ PHE 544 -7.269 12.314 -6.891 258 H GLY 545 HN GLY 545 -1.273 7.165 -4.622 259 HA2 GLY 545 HA2 GLY 545 1.354 8.155 -3.797 260 HA3 GLY 545 HA1 GLY 545 0.411 7.211 -2.647 261 H LYS 546 HN LYS 546 3.022 6.859 -4.242 262 HA LYS 546 HA LYS 546 2.625 4.620 -5.950 263 HB2 LYS 546 HB2 LYS 546 4.558 6.194 -6.112 264 HB3 LYS 546 HB3 LYS 546 5.178 5.525 -4.609 265 HG2 LYS 546 HG2 LYS 546 5.176 3.270 -5.776 266 HG3 LYS 546 HG3 LYS 546 4.905 4.166 -7.274 267 HD2 LYS 546 HD2 LYS 546 6.960 5.465 -6.831 268 HD3 LYS 546 HD3 LYS 546 7.237 4.493 -5.385 269 HE2 LYS 546 HE2 LYS 546 8.589 3.533 -7.054 270 HE3 LYS 546 HE3 LYS 546 7.193 2.470 -6.911 271 HZ1 LYS 546 HZ1 LYS 546 6.227 3.609 -8.856 272 HZ2 LYS 546 HZ2 LYS 546 7.691 2.843 -9.215 273 HZ3 LYS 546 HZ3 LYS 546 7.646 4.520 -9.013 274 H VAL 547 HN VAL 547 2.963 2.478 -5.575 275 HA VAL 547 HA VAL 547 2.872 1.618 -2.791 276 HB VAL 547 HB VAL 547 2.112 0.174 -5.336 277 HG11 VAL 547 HG11 VAL 547 2.974 -1.385 -3.674 278 HG12 VAL 547 HG12 VAL 547 1.234 -1.582 -3.881 279 HG13 VAL 547 HG13 VAL 547 1.863 -0.731 -2.471 280 HG21 VAL 547 HG21 VAL 547 0.410 1.266 -3.098 281 HG22 VAL 547 HG22 VAL 547 -0.174 0.367 -4.498 282 HG23 VAL 547 HG23 VAL 547 0.561 1.955 -4.715 283 H THR 548 HN THR 548 4.386 0.340 -1.944 284 HA THR 548 HA THR 548 6.679 -0.378 -3.633 285 HB THR 548 HB THR 548 7.896 -0.527 -1.438 286 HG1 THR 548 HG1 THR 548 6.709 -0.444 0.321 287 HG21 THR 548 HG21 THR 548 7.929 1.938 -1.034 288 HG22 THR 548 HG22 THR 548 6.552 2.089 -2.123 289 HG23 THR 548 HG23 THR 548 8.098 1.503 -2.737 290 H ASN 549 HN ASN 549 4.417 -1.627 -1.238 291 HA ASN 549 HA ASN 549 4.833 -4.346 -2.127 292 HB2 ASN 549 HB2 ASN 549 5.949 -3.342 0.414 293 HB3 ASN 549 HB3 ASN 549 5.007 -4.823 0.553 294 HD21 ASN 549 HD21 ASN 549 7.855 -4.410 0.930 295 HD22 ASN 549 HD22 ASN 549 8.643 -5.463 -0.191 296 H TYR 550 HN TYR 550 3.289 -5.860 -0.919 297 HA TYR 550 HA TYR 550 1.028 -4.457 0.273 298 HB2 TYR 550 HB2 TYR 550 -0.595 -5.553 -1.215 299 HB3 TYR 550 HB3 TYR 550 0.491 -4.501 -2.112 300 HD1 TYR 550 HD1 TYR 550 -0.526 -7.963 -1.506 301 HD2 TYR 550 HD2 TYR 550 2.139 -5.430 -3.644 302 HE1 TYR 550 HE1 TYR 550 0.034 -9.827 -3.005 303 HE2 TYR 550 HE2 TYR 550 2.701 -7.288 -5.146 304 HH TYR 550 HH TYR 550 0.911 -10.174 -5.268 305 H ILE 551 HN ILE 551 -0.256 -5.699 1.605 306 HA ILE 551 HA ILE 551 0.245 -8.604 1.675 307 HB ILE 551 HB ILE 551 -0.291 -6.777 4.037 308 HG12 ILE 551 HG12 ILE 551 1.961 -8.695 3.414 309 HG13 ILE 551 HG13 ILE 551 2.063 -6.939 3.425 310 HG21 ILE 551 HG21 ILE 551 -0.407 -8.802 5.418 311 HG22 ILE 551 HG22 ILE 551 -0.308 -9.793 3.963 312 HG23 ILE 551 HG23 ILE 551 -1.705 -8.749 4.224 313 HD11 ILE 551 HD11 ILE 551 1.576 -6.967 5.845 314 HD12 ILE 551 HD12 ILE 551 3.052 -7.835 5.425 315 HD13 ILE 551 HD13 ILE 551 1.578 -8.729 5.795 316 H LEU 552 HN LEU 552 -1.539 -9.672 1.107 317 HA LEU 552 HA LEU 552 -4.101 -8.244 1.296 318 HB2 LEU 552 HB2 LEU 552 -3.095 -10.214 -0.743 319 HB3 LEU 552 HB1 LEU 552 -4.778 -9.737 -0.627 320 HG LEU 552 HG LEU 552 -2.537 -7.766 -1.073 321 HD11 LEU 552 HD11 LEU 552 -4.367 -9.036 -3.112 322 HD12 LEU 552 HD12 LEU 552 -2.646 -9.378 -2.930 323 HD13 LEU 552 HD13 LEU 552 -3.177 -7.769 -3.419 324 HD21 LEU 552 HD21 LEU 552 -4.336 -6.302 -1.791 325 HD22 LEU 552 HD22 LEU 552 -4.589 -6.848 -0.135 326 HD23 LEU 552 HD23 LEU 552 -5.517 -7.566 -1.451 327 H MET 553 HN MET 553 -5.233 -9.009 2.963 328 HA MET 553 HA MET 553 -5.332 -11.932 3.307 329 HB2 MET 553 HB2 MET 553 -6.124 -9.723 5.222 330 HB3 MET 553 HB3 MET 553 -6.268 -11.444 5.549 331 HG2 MET 553 HG2 MET 553 -3.873 -11.704 5.464 332 HG3 MET 553 HG3 MET 553 -3.677 -10.015 5.002 333 HE1 MET 553 HE1 MET 553 -2.079 -11.327 7.416 334 HE2 MET 553 HE2 MET 553 -2.216 -10.052 8.624 335 HE3 MET 553 HE3 MET 553 -1.924 -9.638 6.936 336 H LYS 554 HN LYS 554 -6.739 -12.181 1.548 337 HA LYS 554 HA LYS 554 -9.102 -10.641 1.238 338 HB2 LYS 554 HB2 LYS 554 -8.308 -13.269 -0.020 339 HB3 LYS 554 HB3 LYS 554 -9.646 -12.255 -0.547 340 HG2 LYS 554 HG2 LYS 554 -8.108 -10.469 -1.116 341 HG3 LYS 554 HG3 LYS 554 -6.751 -11.419 -0.513 342 HD2 LYS 554 HD2 LYS 554 -7.253 -13.137 -2.225 343 HD3 LYS 554 HD3 LYS 554 -8.525 -12.089 -2.857 344 HE2 LYS 554 HE2 LYS 554 -6.857 -10.357 -3.327 345 HE3 LYS 554 HE3 LYS 554 -5.588 -11.404 -2.698 346 HZ1 LYS 554 HZ1 LYS 554 -6.140 -13.009 -4.454 347 HZ2 LYS 554 HZ2 LYS 554 -5.643 -11.525 -5.088 348 HZ3 LYS 554 HZ3 LYS 554 -7.283 -11.930 -5.080 349 H SER 555 HN SER 555 -8.357 -13.665 2.799 350 HA SER 555 HA SER 555 -11.018 -14.592 3.061 351 HB2 SER 555 HB2 SER 555 -10.037 -16.139 4.747 352 HB3 SER 555 HB3 SER 555 -9.158 -16.124 3.219 353 HG SER 555 HG SER 555 -8.169 -15.720 5.602 354 H THR 556 HN THR 556 -9.105 -12.328 4.888 355 HA THR 556 HA THR 556 -11.112 -12.339 7.027 356 HB THR 556 HB THR 556 -9.494 -11.037 8.345 357 HG1 THR 556 HG1 THR 556 -8.042 -10.020 7.197 358 HG21 THR 556 HG21 THR 556 -9.471 -13.483 8.488 359 HG22 THR 556 HG22 THR 556 -7.851 -12.818 8.688 360 HG23 THR 556 HG23 THR 556 -8.319 -13.553 7.156 361 H ASN 557 HN ASN 557 -10.971 -10.999 4.219 362 HA ASN 557 HA ASN 557 -11.803 -9.126 3.218 363 HB2 ASN 557 HB2 ASN 557 -12.938 -8.587 5.963 364 HB3 ASN 557 HB3 ASN 557 -13.451 -7.802 4.475 365 HD21 ASN 557 HD21 ASN 557 -14.646 -8.923 2.999 366 HD22 ASN 557 HD22 ASN 557 -15.468 -10.400 3.380 367 H GLN 558 HN GLN 558 -9.151 -8.854 4.066 368 HA GLN 558 HA GLN 558 -9.085 -5.994 4.719 369 HB2 GLN 558 HB2 GLN 558 -7.400 -8.101 6.087 370 HB3 GLN 558 HB3 GLN 558 -7.237 -6.365 6.309 371 HG2 GLN 558 HG2 GLN 558 -9.339 -6.217 7.388 372 HG3 GLN 558 HG3 GLN 558 -9.772 -7.870 6.935 373 HE21 GLN 558 HE21 GLN 558 -7.924 -5.859 9.075 374 HE22 GLN 558 HE22 GLN 558 -7.479 -7.098 10.192 375 H ALA 559 HN ALA 559 -7.372 -4.865 3.831 376 HA ALA 559 HA ALA 559 -5.224 -6.397 2.567 377 HB1 ALA 559 HB1 ALA 559 -6.804 -5.870 0.765 378 HB2 ALA 559 HB2 ALA 559 -5.281 -5.004 0.560 379 HB3 ALA 559 HB3 ALA 559 -6.699 -4.158 1.177 380 H PHE 560 HN PHE 560 -3.261 -5.413 2.644 381 HA PHE 560 HA PHE 560 -3.156 -2.725 3.821 382 HB2 PHE 560 HB2 PHE 560 -1.298 -5.030 4.465 383 HB3 PHE 560 HB1 PHE 560 -1.215 -3.408 5.144 384 HD1 PHE 560 HD1 PHE 560 -2.744 -6.662 5.363 385 HD2 PHE 560 HD2 PHE 560 -3.049 -2.614 6.642 386 HE1 PHE 560 HE1 PHE 560 -4.261 -7.352 7.174 387 HE2 PHE 560 HE2 PHE 560 -4.563 -3.298 8.457 388 HZ PHE 560 HZ PHE 560 -5.172 -5.669 8.724 389 H LEU 561 HN LEU 561 -1.988 -1.352 2.668 390 HA LEU 561 HA LEU 561 -0.301 -2.452 0.514 391 HB2 LEU 561 HB2 LEU 561 -2.620 -1.478 -0.050 392 HB3 LEU 561 HB1 LEU 561 -1.919 0.075 0.339 393 HG LEU 561 HG LEU 561 -0.286 -0.194 -1.469 394 HD11 LEU 561 HD11 LEU 561 -0.048 -2.598 -1.466 395 HD12 LEU 561 HD12 LEU 561 -0.566 -2.059 -3.062 396 HD13 LEU 561 HD13 LEU 561 -1.729 -2.796 -1.960 397 HD21 LEU 561 HD21 LEU 561 -2.411 0.896 -1.947 398 HD22 LEU 561 HD22 LEU 561 -3.145 -0.664 -2.312 399 HD23 LEU 561 HD23 LEU 561 -1.862 -0.031 -3.343 400 H GLU 562 HN GLU 562 1.704 -1.482 0.262 401 HA GLU 562 HA GLU 562 2.389 0.451 2.363 402 HB2 GLU 562 HB2 GLU 562 3.660 -1.739 2.110 403 HB3 GLU 562 HB3 GLU 562 4.312 -1.075 0.616 404 HG2 GLU 562 HG2 GLU 562 5.340 0.745 1.835 405 HG3 GLU 562 HG3 GLU 562 4.625 0.171 3.342 406 H MET 563 HN MET 563 2.861 2.457 1.912 407 HA MET 563 HA MET 563 3.125 3.237 -0.903 408 HB2 MET 563 HB2 MET 563 2.190 4.710 1.545 409 HB3 MET 563 HB3 MET 563 2.603 5.548 0.056 410 HG2 MET 563 HG2 MET 563 0.214 5.173 0.232 411 HG3 MET 563 HG3 MET 563 0.899 4.311 -1.142 412 HE1 MET 563 HE1 MET 563 -1.949 3.638 -0.318 413 HE2 MET 563 HE2 MET 563 -1.958 1.885 -0.159 414 HE3 MET 563 HE3 MET 563 -1.099 2.641 -1.499 415 H ALA 564 HN ALA 564 4.853 4.262 -1.625 416 HA ALA 564 HA ALA 564 7.307 3.909 -0.299 417 HB1 ALA 564 HB1 ALA 564 7.073 3.917 -2.732 418 HB2 ALA 564 HB2 ALA 564 8.284 5.081 -2.197 419 HB3 ALA 564 HB3 ALA 564 6.684 5.637 -2.691 420 H TYR 565 HN TYR 565 5.126 6.617 -0.440 421 HA TYR 565 HA TYR 565 7.122 8.292 0.926 422 HB2 TYR 565 HB2 TYR 565 5.056 9.324 -1.029 423 HB3 TYR 565 HB3 TYR 565 6.434 10.194 -0.359 424 HD1 TYR 565 HD1 TYR 565 5.263 8.141 -3.043 425 HD2 TYR 565 HD2 TYR 565 8.763 9.380 -0.978 426 HE1 TYR 565 HE1 TYR 565 6.639 7.367 -4.927 427 HE2 TYR 565 HE2 TYR 565 10.152 8.618 -2.861 428 HH TYR 565 HH TYR 565 9.941 6.901 -4.700 429 H THR 566 HN THR 566 6.449 9.254 2.724 430 HA THR 566 HA THR 566 4.029 8.525 3.940 431 HB THR 566 HB THR 566 5.839 9.123 5.371 432 HG1 THR 566 HG1 THR 566 4.646 11.258 6.263 433 HG21 THR 566 HG21 THR 566 5.765 11.853 4.094 434 HG22 THR 566 HG22 THR 566 7.053 10.655 3.954 435 HG23 THR 566 HG23 THR 566 6.727 11.424 5.508 436 H GLU 567 HN GLU 567 4.955 11.414 2.119 437 HA GLU 567 HA GLU 567 2.534 12.823 2.555 438 HB2 GLU 567 HB2 GLU 567 3.196 14.278 0.763 439 HB3 GLU 567 HB3 GLU 567 4.627 13.888 1.704 440 HG2 GLU 567 HG2 GLU 567 5.387 12.358 0.033 441 HG3 GLU 567 HG3 GLU 567 3.876 12.507 -0.860 442 H ALA 568 HN ALA 568 3.537 10.412 0.269 443 HA ALA 568 HA ALA 568 1.342 10.586 -1.490 444 HB1 ALA 568 HB1 ALA 568 3.298 9.411 -2.189 445 HB2 ALA 568 HB2 ALA 568 2.005 8.219 -2.059 446 HB3 ALA 568 HB3 ALA 568 3.224 8.335 -0.795 447 H ALA 569 HN ALA 569 1.987 8.628 1.382 448 HA ALA 569 HA ALA 569 -0.386 7.101 1.253 449 HB1 ALA 569 HB1 ALA 569 1.677 6.460 2.484 450 HB2 ALA 569 HB2 ALA 569 0.199 6.300 3.431 451 HB3 ALA 569 HB3 ALA 569 1.275 7.672 3.701 452 H GLN 570 HN GLN 570 0.475 9.998 3.100 453 HA GLN 570 HA GLN 570 -1.946 10.082 4.562 454 HB2 GLN 570 HB2 GLN 570 -1.222 12.259 5.323 455 HB3 GLN 570 HB3 GLN 570 0.139 11.150 5.315 456 HG2 GLN 570 HG2 GLN 570 0.674 12.145 3.015 457 HG3 GLN 570 HG3 GLN 570 -0.428 13.434 3.483 458 HE21 GLN 570 HE21 GLN 570 1.667 11.720 5.705 459 HE22 GLN 570 HE22 GLN 570 2.709 13.048 6.058 460 H ALA 571 HN ALA 571 -0.870 11.714 1.613 461 HA ALA 571 HA ALA 571 -3.161 13.367 1.350 462 HB1 ALA 571 HB1 ALA 571 -1.030 13.905 0.283 463 HB2 ALA 571 HB2 ALA 571 -2.339 13.832 -0.898 464 HB3 ALA 571 HB3 ALA 571 -1.194 12.496 -0.764 465 H MET 572 HN MET 572 -2.284 10.223 -0.033 466 HA MET 572 HA MET 572 -4.356 10.062 -1.909 467 HB2 MET 572 HB2 MET 572 -3.793 7.780 -2.153 468 HB3 MET 572 HB3 MET 572 -2.291 8.574 -1.707 469 HG2 MET 572 HG2 MET 572 -3.067 7.874 0.719 470 HG3 MET 572 HG3 MET 572 -3.955 6.650 -0.185 471 HE1 MET 572 HE1 MET 572 -2.672 5.068 -2.028 472 HE2 MET 572 HE2 MET 572 -0.914 5.011 -2.171 473 HE3 MET 572 HE3 MET 572 -1.797 6.451 -2.686 474 H VAL 573 HN VAL 573 -4.202 9.005 1.455 475 HA VAL 573 HA VAL 573 -6.741 7.775 1.462 476 HB VAL 573 HB VAL 573 -4.985 8.728 3.716 477 HG11 VAL 573 HG11 VAL 573 -7.598 7.228 3.818 478 HG12 VAL 573 HG12 VAL 573 -7.252 8.805 4.527 479 HG13 VAL 573 HG13 VAL 573 -6.473 7.360 5.168 480 HG21 VAL 573 HG21 VAL 573 -4.088 6.869 2.477 481 HG22 VAL 573 HG22 VAL 573 -5.640 6.030 2.541 482 HG23 VAL 573 HG23 VAL 573 -4.708 6.270 4.018 483 H GLN 574 HN GLN 574 -5.652 11.046 2.191 484 HA GLN 574 HA GLN 574 -8.051 12.004 3.262 485 HB2 GLN 574 HB2 GLN 574 -5.843 13.353 1.727 486 HB3 GLN 574 HB3 GLN 574 -7.247 14.245 2.303 487 HG2 GLN 574 HG2 GLN 574 -6.733 13.713 4.576 488 HG3 GLN 574 HG3 GLN 574 -5.443 12.624 4.075 489 HE21 GLN 574 HE21 GLN 574 -6.442 15.955 4.318 490 HE22 GLN 574 HE22 GLN 574 -4.855 16.637 4.207 491 H TYR 575 HN TYR 575 -6.985 11.635 -0.084 492 HA TYR 575 HA TYR 575 -9.356 12.660 -1.244 493 HB2 TYR 575 HB2 TYR 575 -7.271 12.363 -2.533 494 HB3 TYR 575 HB3 TYR 575 -7.452 10.616 -2.392 495 HD1 TYR 575 HD1 TYR 575 -9.010 13.666 -3.798 496 HD2 TYR 575 HD2 TYR 575 -8.859 9.416 -3.873 497 HE1 TYR 575 HE1 TYR 575 -10.408 13.654 -5.818 498 HE2 TYR 575 HE2 TYR 575 -10.253 9.396 -5.897 499 HH TYR 575 HH TYR 575 -10.858 12.183 -7.732 500 H TYR 576 HN TYR 576 -8.363 9.345 -0.412 501 HA TYR 576 HA TYR 576 -10.752 8.219 -1.505 502 HB2 TYR 576 HB2 TYR 576 -8.710 6.953 0.321 503 HB3 TYR 576 HB3 TYR 576 -9.967 6.090 -0.568 504 HD1 TYR 576 HD1 TYR 576 -6.684 6.290 -0.597 505 HD2 TYR 576 HD2 TYR 576 -9.870 7.363 -3.201 506 HE1 TYR 576 HE1 TYR 576 -5.158 6.143 -2.511 507 HE2 TYR 576 HE2 TYR 576 -8.351 7.216 -5.129 508 HH TYR 576 HH TYR 576 -5.478 5.695 -5.097 509 H GLN 577 HN GLN 577 -10.029 9.594 1.553 510 HA GLN 577 HA GLN 577 -12.173 8.242 2.901 511 HB2 GLN 577 HB2 GLN 577 -10.390 10.558 3.634 512 HB3 GLN 577 HB3 GLN 577 -11.777 10.120 4.633 513 HG2 GLN 577 HG2 GLN 577 -9.526 8.280 3.870 514 HG3 GLN 577 HG3 GLN 577 -9.654 9.145 5.399 515 HE21 GLN 577 HE21 GLN 577 -9.643 6.256 4.668 516 HE22 GLN 577 HE22 GLN 577 -11.039 5.606 5.447 517 H GLU 578 HN GLU 578 -11.850 11.076 0.942 518 HA GLU 578 HA GLU 578 -14.573 11.932 1.594 519 HB2 GLU 578 HB2 GLU 578 -12.376 13.212 -0.033 520 HB3 GLU 578 HB3 GLU 578 -14.008 13.859 0.050 521 HG2 GLU 578 HG2 GLU 578 -12.211 13.447 2.431 522 HG3 GLU 578 HG3 GLU 578 -12.415 14.973 1.571 523 H LYS 579 HN LYS 579 -12.591 10.814 -1.093 524 HA LYS 579 HA LYS 579 -15.053 10.038 -2.526 525 HB2 LYS 579 HB2 LYS 579 -12.515 11.124 -3.777 526 HB3 LYS 579 HB3 LYS 579 -13.924 10.544 -4.653 527 HG2 LYS 579 HG2 LYS 579 -15.270 12.343 -3.743 528 HG3 LYS 579 HG3 LYS 579 -13.900 12.906 -2.785 529 HD2 LYS 579 HD2 LYS 579 -14.076 14.290 -4.732 530 HD3 LYS 579 HD3 LYS 579 -12.648 13.270 -4.908 531 HE2 LYS 579 HE2 LYS 579 -13.852 13.370 -7.002 532 HE3 LYS 579 HE3 LYS 579 -13.949 11.741 -6.336 533 HZ1 LYS 579 HZ1 LYS 579 -16.083 12.456 -7.181 534 HZ2 LYS 579 HZ2 LYS 579 -16.071 13.812 -6.172 535 HZ3 LYS 579 HZ3 LYS 579 -16.164 12.265 -5.504 536 HA PRO 580 HA PRO 580 -12.295 6.486 -1.552 537 HB2 PRO 580 HB2 PRO 580 -14.823 5.029 -1.240 538 HB3 PRO 580 HB3 PRO 580 -13.520 5.292 -0.069 539 HG2 PRO 580 HG2 PRO 580 -15.901 6.511 0.200 540 HG3 PRO 580 HG3 PRO 580 -14.382 7.329 0.637 541 HD2 PRO 580 HD2 PRO 580 -16.004 7.584 -1.882 542 HD3 PRO 580 HD3 PRO 580 -15.310 8.862 -0.856 543 H ALA 581 HN ALA 581 -11.973 4.403 -2.510 544 HA ALA 581 HA ALA 581 -12.680 4.474 -5.342 545 HB1 ALA 581 HB1 ALA 581 -10.317 4.371 -4.795 546 HB2 ALA 581 HB2 ALA 581 -10.823 2.899 -5.623 547 HB3 ALA 581 HB3 ALA 581 -10.577 2.887 -3.878 548 H ILE 582 HN ILE 582 -13.221 2.469 -6.458 549 HA ILE 582 HA ILE 582 -14.913 0.780 -4.734 550 HB ILE 582 HB ILE 582 -15.511 1.833 -7.501 551 HG12 ILE 582 HG12 ILE 582 -16.788 2.409 -4.824 552 HG13 ILE 582 HG13 ILE 582 -15.763 3.506 -5.727 553 HG21 ILE 582 HG21 ILE 582 -17.695 0.757 -7.262 554 HG22 ILE 582 HG22 ILE 582 -17.175 0.048 -5.734 555 HG23 ILE 582 HG23 ILE 582 -16.384 -0.421 -7.238 556 HD11 ILE 582 HD11 ILE 582 -17.417 3.630 -7.492 557 HD12 ILE 582 HD12 ILE 582 -18.126 4.065 -5.937 558 HD13 ILE 582 HD13 ILE 582 -18.436 2.475 -6.634 559 H ILE 583 HN ILE 583 -14.812 -1.382 -4.992 560 HA ILE 583 HA ILE 583 -13.525 -2.447 -7.432 561 HB ILE 583 HB ILE 583 -13.430 -3.569 -4.627 562 HG12 ILE 583 HG12 ILE 583 -11.760 -1.830 -5.182 563 HG13 ILE 583 HG13 ILE 583 -11.027 -3.395 -4.853 564 HG21 ILE 583 HG21 ILE 583 -13.855 -5.397 -6.157 565 HG22 ILE 583 HG22 ILE 583 -12.197 -5.478 -5.562 566 HG23 ILE 583 HG23 ILE 583 -12.522 -4.878 -7.188 567 HD11 ILE 583 HD11 ILE 583 -9.905 -2.428 -6.700 568 HD12 ILE 583 HD12 ILE 583 -11.431 -2.096 -7.526 569 HD13 ILE 583 HD13 ILE 583 -10.891 -3.761 -7.306 570 H ASN 584 HN ASN 584 -14.984 -3.392 -8.702 571 HA ASN 584 HA ASN 584 -16.731 -4.643 -9.438 572 HB2 ASN 584 HB2 ASN 584 -16.281 -6.031 -6.791 573 HB3 ASN 584 HB3 ASN 584 -17.370 -6.628 -8.038 574 HD21 ASN 584 HD21 ASN 584 -14.956 -7.805 -6.875 575 HD22 ASN 584 HD22 ASN 584 -13.899 -8.122 -8.204 576 H GLY 585 HN GLY 585 -17.400 -2.200 -8.167 577 HA2 GLY 585 HA2 GLY 585 -19.459 -1.176 -7.804 578 HA3 GLY 585 HA1 GLY 585 -20.186 -2.763 -7.620 579 H GLU 586 HN GLU 586 -17.538 -2.776 -5.677 580 HA GLU 586 HA GLU 586 -19.155 -2.092 -3.324 581 HB2 GLU 586 HB2 GLU 586 -16.530 -3.597 -3.524 582 HB3 GLU 586 HB3 GLU 586 -17.484 -3.380 -2.060 583 HG2 GLU 586 HG2 GLU 586 -18.420 -4.849 -4.513 584 HG3 GLU 586 HG3 GLU 586 -17.727 -5.614 -3.084 585 H LYS 587 HN LYS 587 -18.719 -0.300 -2.193 586 HA LYS 587 HA LYS 587 -16.574 1.413 -3.098 587 HB2 LYS 587 HB2 LYS 587 -18.712 1.824 -0.999 588 HB3 LYS 587 HB3 LYS 587 -17.578 3.058 -1.532 589 HG2 LYS 587 HG2 LYS 587 -18.531 3.141 -3.693 590 HG3 LYS 587 HG3 LYS 587 -19.458 1.666 -3.417 591 HD2 LYS 587 HD2 LYS 587 -20.901 3.622 -3.270 592 HD3 LYS 587 HD3 LYS 587 -20.782 2.820 -1.705 593 HE2 LYS 587 HE2 LYS 587 -20.643 5.188 -1.362 594 HE3 LYS 587 HE3 LYS 587 -19.061 4.482 -1.043 595 HZ1 LYS 587 HZ1 LYS 587 -19.860 5.839 -3.560 596 HZ2 LYS 587 HZ2 LYS 587 -18.332 5.200 -3.223 597 HZ3 LYS 587 HZ3 LYS 587 -18.907 6.519 -2.340 598 H LEU 588 HN LEU 588 -14.619 1.032 -2.355 599 HA LEU 588 HA LEU 588 -14.215 -0.240 0.211 600 HB2 LEU 588 HB2 LEU 588 -12.144 0.800 -1.708 601 HB3 LEU 588 HB1 LEU 588 -11.885 -0.311 -0.382 602 HG LEU 588 HG LEU 588 -13.307 -0.852 -2.974 603 HD11 LEU 588 HD11 LEU 588 -10.812 -1.901 -1.667 604 HD12 LEU 588 HD12 LEU 588 -10.928 -0.924 -3.131 605 HD13 LEU 588 HD13 LEU 588 -11.533 -2.581 -3.123 606 HD21 LEU 588 HD21 LEU 588 -13.057 -2.645 -0.558 607 HD22 LEU 588 HD22 LEU 588 -13.681 -3.119 -2.139 608 HD23 LEU 588 HD23 LEU 588 -14.547 -1.929 -1.169 609 H LEU 589 HN LEU 589 -13.462 0.704 2.007 610 HA LEU 589 HA LEU 589 -12.931 3.575 1.909 611 HB2 LEU 589 HB2 LEU 589 -14.434 2.587 3.673 612 HB3 LEU 589 HB1 LEU 589 -13.039 1.739 4.311 613 HG LEU 589 HG LEU 589 -11.951 3.958 4.704 614 HD11 LEU 589 HD11 LEU 589 -13.202 5.276 3.095 615 HD12 LEU 589 HD12 LEU 589 -13.385 5.944 4.716 616 HD13 LEU 589 HD13 LEU 589 -14.690 5.000 4.001 617 HD21 LEU 589 HD21 LEU 589 -14.594 3.498 6.079 618 HD22 LEU 589 HD22 LEU 589 -13.262 4.478 6.694 619 HD23 LEU 589 HD23 LEU 589 -13.060 2.738 6.500 620 H ILE 590 HN ILE 590 -10.939 4.041 1.331 621 HA ILE 590 HA ILE 590 -8.721 2.320 2.158 622 HB ILE 590 HB ILE 590 -8.697 4.766 0.368 623 HG12 ILE 590 HG12 ILE 590 -8.808 1.839 -0.369 624 HG13 ILE 590 HG13 ILE 590 -10.049 3.043 -0.652 625 HG21 ILE 590 HG21 ILE 590 -6.619 2.635 0.820 626 HG22 ILE 590 HG22 ILE 590 -6.534 4.313 1.355 627 HG23 ILE 590 HG23 ILE 590 -6.509 3.932 -0.367 628 HD11 ILE 590 HD11 ILE 590 -7.318 3.017 -1.920 629 HD12 ILE 590 HD12 ILE 590 -8.580 4.212 -2.216 630 HD13 ILE 590 HD13 ILE 590 -8.827 2.531 -2.694 631 H ARG 591 HN ARG 591 -7.705 2.802 4.024 632 HA ARG 591 HA ARG 591 -7.754 5.588 4.967 633 HB2 ARG 591 HB2 ARG 591 -8.507 4.924 7.159 634 HB3 ARG 591 HB3 ARG 591 -9.660 4.362 5.959 635 HG2 ARG 591 HG2 ARG 591 -8.560 2.117 6.082 636 HG3 ARG 591 HG3 ARG 591 -7.619 2.728 7.444 637 HD2 ARG 591 HD2 ARG 591 -10.619 2.491 7.270 638 HD3 ARG 591 HD3 ARG 591 -9.539 1.524 8.272 639 HE ARG 591 HE ARG 591 -9.021 3.994 9.165 640 HH11 ARG 591 HH11 ARG 591 -12.047 2.349 8.563 641 HH12 ARG 591 HH12 ARG 591 -12.914 3.215 9.789 642 HH21 ARG 591 HH21 ARG 591 -10.158 5.139 10.784 643 HH22 ARG 591 HH22 ARG 591 -11.843 4.802 11.046 644 H MET 592 HN MET 592 -6.277 6.027 6.725 645 HA MET 592 HA MET 592 -3.703 4.926 6.323 646 HB2 MET 592 HB2 MET 592 -4.724 6.520 8.689 647 HB3 MET 592 HB3 MET 592 -3.042 6.298 8.239 648 HG2 MET 592 HG2 MET 592 -4.825 7.521 6.201 649 HG3 MET 592 HG3 MET 592 -4.447 8.475 7.633 650 HE1 MET 592 HE1 MET 592 -1.170 6.895 4.758 651 HE2 MET 592 HE2 MET 592 -2.878 6.493 4.600 652 HE3 MET 592 HE3 MET 592 -1.942 5.842 5.944 653 H SER 593 HN SER 593 -2.761 3.170 7.234 654 HA SER 593 HA SER 593 -4.451 1.395 8.710 655 HB2 SER 593 HB2 SER 593 -2.883 0.571 6.985 656 HB3 SER 593 HB3 SER 593 -1.527 1.094 7.983 657 HG SER 593 HG SER 593 -2.183 -1.189 8.136 658 H THR 594 HN THR 594 -4.623 1.196 10.812 659 HA THR 594 HA THR 594 -2.630 2.447 12.547 660 HB THR 594 HB THR 594 -5.064 2.957 12.879 661 HG1 THR 594 HG1 THR 594 -4.255 3.375 14.776 662 HG21 THR 594 HG21 THR 594 -5.977 0.755 12.380 663 HG22 THR 594 HG22 THR 594 -6.459 1.274 13.994 664 HG23 THR 594 HG23 THR 594 -5.171 0.086 13.797 665 H ARG 595 HN ARG 595 -2.915 -0.372 11.067 666 HA ARG 595 HA ARG 595 -2.269 -2.047 13.390 667 HB2 ARG 595 HB2 ARG 595 -3.037 -2.848 10.575 668 HB3 ARG 595 HB3 ARG 595 -2.717 -3.961 11.898 669 HG2 ARG 595 HG2 ARG 595 -4.938 -1.932 11.807 670 HG3 ARG 595 HG3 ARG 595 -5.105 -3.665 11.522 671 HD2 ARG 595 HD2 ARG 595 -4.448 -4.151 13.781 672 HD3 ARG 595 HD3 ARG 595 -4.075 -2.455 14.080 673 HE ARG 595 HE ARG 595 -6.755 -2.649 13.293 674 HH11 ARG 595 HH11 ARG 595 -4.688 -3.555 15.960 675 HH12 ARG 595 HH12 ARG 595 -5.949 -3.458 17.145 676 HH21 ARG 595 HH21 ARG 595 -8.427 -2.506 14.847 677 HH22 ARG 595 HH22 ARG 595 -8.082 -2.858 16.509 678 H TYR 596 HN TYR 596 -1.081 -1.025 10.235 679 HA TYR 596 HA TYR 596 1.522 -2.232 10.902 680 HB2 TYR 596 HB2 TYR 596 0.184 -2.068 8.194 681 HB3 TYR 596 HB3 TYR 596 1.863 -2.526 8.433 682 HD1 TYR 596 HD1 TYR 596 2.437 -4.747 8.925 683 HD2 TYR 596 HD2 TYR 596 -1.626 -3.529 9.219 684 HE1 TYR 596 HE1 TYR 596 1.765 -7.088 9.230 685 HE2 TYR 596 HE2 TYR 596 -2.309 -5.874 9.524 686 HH TYR 596 HH TYR 596 -0.017 -8.391 10.086 687 H LYS 597 HN LYS 597 3.224 -0.914 10.797 688 HA LYS 597 HA LYS 597 2.884 1.801 9.795 689 HB2 LYS 597 HB2 LYS 597 5.271 0.464 11.092 690 HB3 LYS 597 HB3 LYS 597 5.161 2.169 10.682 691 HG2 LYS 597 HG2 LYS 597 3.399 0.738 12.658 692 HG3 LYS 597 HG3 LYS 597 4.784 1.753 13.063 693 HD2 LYS 597 HD2 LYS 597 3.667 3.661 11.963 694 HD3 LYS 597 HD3 LYS 597 2.266 2.632 11.651 695 HE2 LYS 597 HE2 LYS 597 2.006 2.285 14.065 696 HE3 LYS 597 HE3 LYS 597 3.381 3.342 14.360 697 HZ1 LYS 597 HZ1 LYS 597 2.165 5.163 13.370 698 HZ2 LYS 597 HZ2 LYS 597 1.271 4.492 14.637 699 HZ3 LYS 597 HZ3 LYS 597 0.853 4.149 13.038 700 H GLU 598 HN GLU 598 4.763 -1.102 9.198 701 HA GLU 598 HA GLU 598 5.043 -0.353 6.391 702 HB2 GLU 598 HB2 GLU 598 7.398 -0.986 6.331 703 HB3 GLU 598 HB3 GLU 598 7.155 0.338 7.456 704 HG2 GLU 598 HG2 GLU 598 7.343 -2.530 8.331 705 HG3 GLU 598 HG3 GLU 598 8.746 -1.478 8.178 706 H LEU 599 HN LEU 599 5.474 -2.236 5.021 707 HA LEU 599 HA LEU 599 4.235 -4.615 6.193 708 HB2 LEU 599 HB2 LEU 599 4.861 -3.914 3.322 709 HB3 LEU 599 HB1 LEU 599 4.094 -5.405 3.847 710 HG LEU 599 HG LEU 599 2.937 -2.634 4.178 711 HD11 LEU 599 HD11 LEU 599 1.395 -3.230 2.474 712 HD12 LEU 599 HD12 LEU 599 2.018 -4.877 2.412 713 HD13 LEU 599 HD13 LEU 599 3.017 -3.537 1.848 714 HD21 LEU 599 HD21 LEU 599 0.933 -3.739 4.919 715 HD22 LEU 599 HD22 LEU 599 2.274 -4.226 5.957 716 HD23 LEU 599 HD23 LEU 599 1.683 -5.318 4.701 717 H GLN 600 HN GLN 600 5.572 -5.997 7.096 718 HA GLN 600 HA GLN 600 8.274 -6.290 6.040 719 HB2 GLN 600 HB2 GLN 600 6.998 -7.290 8.586 720 HB3 GLN 600 HB3 GLN 600 8.647 -7.670 8.103 721 HG2 GLN 600 HG2 GLN 600 9.176 -5.272 8.096 722 HG3 GLN 600 HG3 GLN 600 7.537 -4.926 8.645 723 HE21 GLN 600 HE21 GLN 600 10.627 -6.265 9.506 724 HE22 GLN 600 HE22 GLN 600 10.364 -6.287 11.211 725 H LEU 601 HN LEU 601 7.266 -7.267 4.120 726 HA LEU 601 HA LEU 601 6.112 -9.851 4.202 727 HB2 LEU 601 HB2 LEU 601 7.589 -8.386 2.016 728 HB3 LEU 601 HB1 LEU 601 6.782 -9.924 1.783 729 HG LEU 601 HG LEU 601 5.391 -7.381 2.631 730 HD11 LEU 601 HD11 LEU 601 4.521 -7.322 0.360 731 HD12 LEU 601 HD12 LEU 601 5.490 -8.734 -0.059 732 HD13 LEU 601 HD13 LEU 601 6.281 -7.214 0.360 733 HD21 LEU 601 HD21 LEU 601 3.360 -8.638 2.051 734 HD22 LEU 601 HD22 LEU 601 4.244 -9.378 3.385 735 HD23 LEU 601 HD23 LEU 601 4.344 -10.072 1.768 736 H LYS 602 HN LYS 602 7.028 -11.867 3.985 737 HA LYS 602 HA LYS 602 9.812 -12.095 4.686 738 HB2 LYS 602 HB2 LYS 602 9.368 -14.570 4.562 739 HB3 LYS 602 HB3 LYS 602 8.392 -13.686 5.720 740 HG2 LYS 602 HG2 LYS 602 6.891 -15.151 4.749 741 HG3 LYS 602 HG3 LYS 602 6.606 -13.648 3.879 742 HD2 LYS 602 HD2 LYS 602 7.933 -14.437 2.012 743 HD3 LYS 602 HD3 LYS 602 8.349 -15.905 2.897 744 HE2 LYS 602 HE2 LYS 602 5.925 -16.465 2.976 745 HE3 LYS 602 HE3 LYS 602 5.615 -15.071 1.943 746 HZ1 LYS 602 HZ1 LYS 602 5.746 -17.101 0.657 747 HZ2 LYS 602 HZ2 LYS 602 7.300 -17.408 1.237 748 HZ3 LYS 602 HZ3 LYS 602 7.018 -16.071 0.248 749 H LYS 603 HN LYS 603 8.201 -11.586 1.870 750 HA LYS 603 HA LYS 603 10.017 -12.952 0.103 751 HB2 LYS 603 HB2 LYS 603 8.088 -10.673 -0.420 752 HB3 LYS 603 HB3 LYS 603 8.939 -11.589 -1.657 753 HG2 LYS 603 HG2 LYS 603 7.772 -13.622 -0.950 754 HG3 LYS 603 HG3 LYS 603 6.911 -12.696 0.279 755 HD2 LYS 603 HD2 LYS 603 6.765 -12.168 -2.690 756 HD3 LYS 603 HD3 LYS 603 5.577 -13.100 -1.777 757 HE2 LYS 603 HE2 LYS 603 5.108 -11.130 -0.393 758 HE3 LYS 603 HE3 LYS 603 6.289 -10.204 -1.318 759 HZ1 LYS 603 HZ1 LYS 603 4.128 -9.722 -2.156 760 HZ2 LYS 603 HZ2 LYS 603 3.750 -11.362 -2.326 761 HZ3 LYS 603 HZ3 LYS 603 4.923 -10.658 -3.317 762 HA PRO 604 HA PRO 604 13.248 -10.064 0.856 763 HB2 PRO 604 HB2 PRO 604 14.988 -10.849 -1.047 764 HB3 PRO 604 HB3 PRO 604 14.630 -11.831 0.377 765 HG2 PRO 604 HG2 PRO 604 13.557 -12.072 -2.407 766 HG3 PRO 604 HG3 PRO 604 14.114 -13.349 -1.311 767 HD2 PRO 604 HD2 PRO 604 11.487 -12.747 -1.684 768 HD3 PRO 604 HD3 PRO 604 12.126 -13.398 -0.162 769 H GLY 605 HN GLY 605 11.317 -8.625 -0.314 770 HA2 GLY 605 HA2 GLY 605 11.039 -6.651 -1.447 771 HA3 GLY 605 HA1 GLY 605 12.789 -6.573 -1.536 772 H LYS 606 HN LYS 606 10.124 -8.398 -3.034 773 HA LYS 606 HA LYS 606 11.558 -8.190 -5.592 774 HB2 LYS 606 HB2 LYS 606 9.423 -10.137 -4.707 775 HB3 LYS 606 HB3 LYS 606 10.093 -10.072 -6.329 776 HG2 LYS 606 HG2 LYS 606 11.676 -10.634 -3.828 777 HG3 LYS 606 HG3 LYS 606 11.082 -11.854 -4.953 778 HD2 LYS 606 HD2 LYS 606 12.402 -10.783 -6.751 779 HD3 LYS 606 HD3 LYS 606 13.045 -9.646 -5.566 780 HE2 LYS 606 HE2 LYS 606 14.633 -11.432 -5.942 781 HE3 LYS 606 HE3 LYS 606 13.997 -11.528 -4.303 782 HZ1 LYS 606 HZ1 LYS 606 14.092 -13.704 -5.297 783 HZ2 LYS 606 HZ2 LYS 606 13.154 -13.196 -6.608 784 HZ3 LYS 606 HZ3 LYS 606 12.475 -13.270 -5.061 785 H ASN 607 HN ASN 607 9.514 -6.403 -4.050 786 HA ASN 607 HA ASN 607 7.953 -4.844 -4.601 787 HB2 ASN 607 HB2 ASN 607 8.624 -5.567 -7.464 788 HB3 ASN 607 HB3 ASN 607 7.822 -4.099 -6.920 789 HD21 ASN 607 HD21 ASN 607 10.294 -4.507 -8.426 790 HD22 ASN 607 HD22 ASN 607 11.532 -3.685 -7.537 791 H VAL 608 HN VAL 608 6.275 -4.957 -7.044 792 HA VAL 608 HA VAL 608 4.295 -6.801 -6.058 793 HB VAL 608 HB VAL 608 4.189 -5.026 -8.502 794 HG11 VAL 608 HG11 VAL 608 2.601 -6.861 -8.640 795 HG12 VAL 608 HG12 VAL 608 1.758 -5.338 -8.355 796 HG13 VAL 608 HG13 VAL 608 1.993 -6.477 -7.029 797 HG21 VAL 608 HG21 VAL 608 2.840 -3.524 -7.104 798 HG22 VAL 608 HG22 VAL 608 4.476 -3.717 -6.474 799 HG23 VAL 608 HG23 VAL 608 3.130 -4.568 -5.714 800 H ALA 609 HN ALA 609 4.963 -6.327 -9.501 801 HA ALA 609 HA ALA 609 5.835 -9.118 -9.718 802 HB1 ALA 609 HB1 ALA 609 3.678 -7.798 -11.349 803 HB2 ALA 609 HB2 ALA 609 3.468 -9.119 -10.200 804 HB3 ALA 609 HB3 ALA 609 4.370 -9.383 -11.694 805 H ALA 610 HN ALA 610 6.807 -6.157 -10.038 806 HA ALA 610 HA ALA 610 8.601 -6.667 -12.223 807 HB1 ALA 610 HB1 ALA 610 6.636 -5.855 -13.447 808 HB2 ALA 610 HB2 ALA 610 7.968 -4.704 -13.543 809 HB3 ALA 610 HB3 ALA 610 6.618 -4.399 -12.453 810 H ILE 611 HN ILE 611 10.133 -4.781 -12.476 811 HA ILE 611 HA ILE 611 10.845 -3.750 -9.881 812 HB ILE 611 HB ILE 611 12.105 -3.202 -12.578 813 HG12 ILE 611 HG12 ILE 611 12.229 -5.576 -11.945 814 HG13 ILE 611 HG13 ILE 611 13.817 -4.821 -11.900 815 HG21 ILE 611 HG21 ILE 611 13.120 -2.636 -9.796 816 HG22 ILE 611 HG22 ILE 611 12.615 -1.443 -10.993 817 HG23 ILE 611 HG23 ILE 611 14.047 -2.430 -11.284 818 HD11 ILE 611 HD11 ILE 611 13.632 -4.629 -9.459 819 HD12 ILE 611 HD12 ILE 611 13.533 -6.299 -10.017 820 HD13 ILE 611 HD13 ILE 611 12.070 -5.444 -9.531 821 H ILE 612 HN ILE 612 9.245 -2.356 -9.280 822 HA ILE 612 HA ILE 612 8.958 0.095 -10.885 823 HB ILE 612 HB ILE 612 6.987 -1.104 -8.929 824 HG12 ILE 612 HG12 ILE 612 6.883 -0.995 -11.950 825 HG13 ILE 612 HG13 ILE 612 7.202 -2.437 -10.992 826 HG21 ILE 612 HG21 ILE 612 6.799 1.306 -9.008 827 HG22 ILE 612 HG22 ILE 612 5.425 0.584 -9.845 828 HG23 ILE 612 HG23 ILE 612 6.757 1.275 -10.771 829 HD11 ILE 612 HD11 ILE 612 4.910 -2.392 -11.770 830 HD12 ILE 612 HD12 ILE 612 4.655 -0.835 -10.983 831 HD13 ILE 612 HD13 ILE 612 4.974 -2.273 -10.011 832 H GLN 613 HN GLN 613 10.844 0.932 -9.849 833 HA GLN 613 HA GLN 613 10.466 1.738 -7.046 834 HB2 GLN 613 HB2 GLN 613 12.956 0.393 -8.112 835 HB3 GLN 613 HB3 GLN 613 12.750 1.035 -6.489 836 HG2 GLN 613 HG2 GLN 613 11.174 -0.629 -5.927 837 HG3 GLN 613 HG3 GLN 613 11.003 -1.135 -7.609 838 HE21 GLN 613 HE21 GLN 613 12.970 -1.270 -4.761 839 HE22 GLN 613 HE22 GLN 613 14.020 -2.533 -5.302 840 H ASP 614 HN ASP 614 11.621 2.375 -10.207 841 HA ASP 614 HA ASP 614 13.625 4.306 -9.463 842 HB2 ASP 614 HB2 ASP 614 13.841 2.971 -11.517 843 HB3 ASP 614 HB3 ASP 614 12.390 3.728 -12.163 844 H ILE 615 HN ILE 615 10.599 4.650 -11.360 845 HA ILE 615 HA ILE 615 10.710 7.516 -11.018 846 HB ILE 615 HB ILE 615 8.411 5.912 -12.145 847 HG12 ILE 615 HG12 ILE 615 10.817 7.061 -13.582 848 HG13 ILE 615 HG13 ILE 615 10.494 5.348 -13.335 849 HG21 ILE 615 HG21 ILE 615 9.284 8.779 -12.494 850 HG22 ILE 615 HG22 ILE 615 7.870 8.213 -11.605 851 HG23 ILE 615 HG23 ILE 615 7.951 8.013 -13.356 852 HD11 ILE 615 HD11 ILE 615 8.845 7.257 -14.975 853 HD12 ILE 615 HD12 ILE 615 8.460 5.559 -14.692 854 HD13 ILE 615 HD13 ILE 615 9.917 5.996 -15.583 855 H HIS 616 HN HIS 616 9.310 8.784 -9.773 856 HA HIS 616 HA HIS 616 8.755 7.401 -7.300 857 HB2 HIS 616 HB2 HIS 616 8.529 10.360 -7.883 858 HB3 HIS 616 HB3 HIS 616 8.546 9.592 -6.296 859 HD1 HIS 616 HD1 HIS 616 10.863 8.480 -5.571 860 HD2 HIS 616 HD2 HIS 616 11.005 10.959 -8.905 861 HE1 HIS 616 HE1 HIS 616 13.295 9.035 -5.897 862 HE2 HIS 616 HE2 HIS 616 13.368 10.456 -7.976 863 H SER 617 HN SER 617 6.853 8.943 -9.833 864 HA SER 617 HA SER 617 4.472 8.501 -8.152 865 HB2 SER 617 HB2 SER 617 5.129 10.901 -8.773 866 HB3 SER 617 HB3 SER 617 4.602 10.497 -10.405 867 HG SER 617 HG SER 617 3.105 10.749 -8.048 868 H GLN 618 HN GLN 618 6.021 7.221 -10.770 869 HA GLN 618 HA GLN 618 3.614 6.707 -12.327 870 HB2 GLN 618 HB2 GLN 618 6.508 6.021 -12.781 871 HB3 GLN 618 HB3 GLN 618 5.220 5.385 -13.793 872 HG2 GLN 618 HG2 GLN 618 5.848 8.298 -13.379 873 HG3 GLN 618 HG3 GLN 618 6.290 7.336 -14.788 874 HE21 GLN 618 HE21 GLN 618 4.682 6.680 -16.224 875 HE22 GLN 618 HE22 GLN 618 3.117 7.422 -16.253 876 H ARG 619 HN ARG 619 2.936 4.593 -12.907 877 HA ARG 619 HA ARG 619 3.101 2.739 -10.662 878 HB2 ARG 619 HB2 ARG 619 1.405 2.532 -13.157 879 HB3 ARG 619 HB3 ARG 619 1.196 1.635 -11.664 880 HG2 ARG 619 HG2 ARG 619 0.600 3.699 -10.505 881 HG3 ARG 619 HG3 ARG 619 0.810 4.598 -12.009 882 HD2 ARG 619 HD2 ARG 619 -0.918 3.105 -13.038 883 HD3 ARG 619 HD3 ARG 619 -1.215 2.443 -11.433 884 HE ARG 619 HE ARG 619 -1.439 5.228 -11.288 885 HH11 ARG 619 HH11 ARG 619 -3.090 2.480 -12.685 886 HH12 ARG 619 HH12 ARG 619 -4.631 3.273 -12.759 887 HH21 ARG 619 HH21 ARG 619 -3.485 6.282 -11.373 888 HH22 ARG 619 HH22 ARG 619 -4.857 5.427 -12.005 889 H GLU 620 HN GLU 620 5.315 3.122 -12.472 890 HA GLU 620 HA GLU 620 5.970 0.433 -13.150 891 HB2 GLU 620 HB2 GLU 620 4.452 1.081 -15.037 892 HB3 GLU 620 HB3 GLU 620 5.560 2.388 -15.427 893 HG2 GLU 620 HG2 GLU 620 7.315 0.766 -15.907 894 HG3 GLU 620 HG3 GLU 620 6.211 -0.549 -15.501 895 H ARG 621 HN ARG 621 8.189 0.246 -13.636 896 HA ARG 621 HA ARG 621 10.381 0.791 -13.703 897 HB2 ARG 621 HB2 ARG 621 9.284 3.508 -14.372 898 HB3 ARG 621 HB3 ARG 621 11.007 3.230 -14.165 899 HG2 ARG 621 HG2 ARG 621 9.308 1.699 -16.117 900 HG3 ARG 621 HG3 ARG 621 10.179 3.178 -16.527 901 HD2 ARG 621 HD2 ARG 621 11.527 1.313 -17.190 902 HD3 ARG 621 HD3 ARG 621 12.281 2.065 -15.790 903 HE ARG 621 HE ARG 621 10.546 -0.230 -15.312 904 HH11 ARG 621 HH11 ARG 621 13.797 1.047 -15.573 905 HH12 ARG 621 HH12 ARG 621 14.522 -0.284 -14.732 906 HH21 ARG 621 HH21 ARG 621 11.492 -1.970 -14.190 907 HH22 ARG 621 HH22 ARG 621 13.211 -2.010 -13.956 Start of MODEL 17 1 H1 GLY 510 HT1 GLY 510 19.548 -5.805 -0.870 2 H2 GLY 510 HT2 GLY 510 20.297 -4.546 -0.034 3 H3 GLY 510 HT3 GLY 510 21.214 -5.847 -0.599 4 HA2 GLY 510 HA1 GLY 510 21.536 -3.927 -2.009 5 HA3 GLY 510 HA2 GLY 510 20.754 -5.239 -2.878 6 H ALA 511 HN ALA 511 19.128 -4.627 -4.104 7 HA ALA 511 HA ALA 511 18.004 -1.989 -3.819 8 HB1 ALA 511 HB1 ALA 511 17.351 -4.172 -5.797 9 HB2 ALA 511 HB2 ALA 511 18.536 -2.887 -6.034 10 HB3 ALA 511 HB3 ALA 511 16.824 -2.490 -5.891 11 H MET 512 HN MET 512 16.098 -1.461 -2.972 12 HA MET 512 HA MET 512 13.952 -3.376 -2.765 13 HB2 MET 512 HB2 MET 512 15.659 -3.236 -0.605 14 HB3 MET 512 HB3 MET 512 14.419 -2.073 -0.169 15 HG2 MET 512 HG2 MET 512 13.877 -4.930 -0.941 16 HG3 MET 512 HG3 MET 512 14.034 -4.354 0.714 17 HE1 MET 512 HE1 MET 512 11.702 -5.306 1.430 18 HE2 MET 512 HE2 MET 512 11.505 -5.995 -0.182 19 HE3 MET 512 HE3 MET 512 10.208 -5.038 0.532 20 H ALA 513 HN ALA 513 12.132 -2.104 -1.375 21 HA ALA 513 HA ALA 513 11.725 0.328 -2.893 22 HB1 ALA 513 HB1 ALA 513 9.880 -1.002 -0.918 23 HB2 ALA 513 HB2 ALA 513 9.968 -1.407 -2.631 24 HB3 ALA 513 HB3 ALA 513 9.458 0.206 -2.133 25 H GLN 514 HN GLN 514 9.941 1.475 -0.856 26 HA GLN 514 HA GLN 514 9.964 3.101 0.710 27 HB2 GLN 514 HB2 GLN 514 12.257 1.521 1.894 28 HB3 GLN 514 HB3 GLN 514 11.299 2.738 2.728 29 HG2 GLN 514 HG2 GLN 514 10.367 0.061 1.717 30 HG3 GLN 514 HG3 GLN 514 10.519 0.583 3.395 31 HE21 GLN 514 HE21 GLN 514 8.946 1.885 4.285 32 HE22 GLN 514 HE22 GLN 514 7.440 2.196 3.498 33 H ARG 515 HN ARG 515 10.514 4.837 -0.518 34 HA ARG 515 HA ARG 515 13.283 5.264 -1.246 35 HB2 ARG 515 HB2 ARG 515 10.835 6.938 -1.826 36 HB3 ARG 515 HB3 ARG 515 12.430 7.184 -2.522 37 HG2 ARG 515 HG2 ARG 515 10.697 4.746 -2.911 38 HG3 ARG 515 HG3 ARG 515 10.918 6.052 -4.074 39 HD2 ARG 515 HD2 ARG 515 12.326 4.225 -4.732 40 HD3 ARG 515 HD3 ARG 515 13.361 5.509 -4.111 41 HE ARG 515 HE ARG 515 12.658 3.605 -2.100 42 HH11 ARG 515 HH11 ARG 515 14.843 4.144 -4.784 43 HH12 ARG 515 HH12 ARG 515 16.100 3.156 -4.105 44 HH21 ARG 515 HH21 ARG 515 14.298 2.299 -1.225 45 HH22 ARG 515 HH22 ARG 515 15.779 2.087 -2.101 46 H LYS 516 HN LYS 516 10.824 6.901 0.715 47 HA LYS 516 HA LYS 516 12.924 8.616 1.822 48 HB2 LYS 516 HB2 LYS 516 9.912 8.756 2.016 49 HB3 LYS 516 HB3 LYS 516 10.994 9.810 2.917 50 HG2 LYS 516 HG2 LYS 516 11.954 10.563 0.743 51 HG3 LYS 516 HG3 LYS 516 10.696 9.634 -0.069 52 HD2 LYS 516 HD2 LYS 516 9.971 11.909 0.058 53 HD3 LYS 516 HD3 LYS 516 9.000 10.967 1.188 54 HE2 LYS 516 HE2 LYS 516 9.710 13.109 2.151 55 HE3 LYS 516 HE3 LYS 516 10.365 11.741 3.042 56 HZ1 LYS 516 HZ1 LYS 516 12.018 13.474 2.696 57 HZ2 LYS 516 HZ2 LYS 516 11.846 13.335 1.020 58 HZ3 LYS 516 HZ3 LYS 516 12.470 12.046 1.916 59 H GLY 517 HN GLY 517 12.991 8.914 4.166 60 HA2 GLY 517 HA2 GLY 517 13.135 6.318 5.403 61 HA3 GLY 517 HA1 GLY 517 13.648 7.842 6.108 62 H ALA 518 HN ALA 518 10.576 6.401 5.041 63 HA ALA 518 HA ALA 518 9.522 6.521 7.718 64 HB1 ALA 518 HB1 ALA 518 8.307 8.267 5.580 65 HB2 ALA 518 HB2 ALA 518 9.151 8.823 7.024 66 HB3 ALA 518 HB3 ALA 518 7.619 7.966 7.175 67 H GLY 519 HN GLY 519 7.668 6.764 4.737 68 HA2 GLY 519 HA2 GLY 519 6.364 5.210 3.633 69 HA3 GLY 519 HA1 GLY 519 7.191 3.944 4.531 70 H ARG 520 HN ARG 520 4.297 4.423 3.927 71 HA ARG 520 HA ARG 520 3.372 3.869 6.626 72 HB2 ARG 520 HB2 ARG 520 2.263 6.091 4.920 73 HB3 ARG 520 HB3 ARG 520 1.314 5.328 6.188 74 HG2 ARG 520 HG2 ARG 520 3.111 5.953 7.803 75 HG3 ARG 520 HG3 ARG 520 3.877 6.869 6.504 76 HD2 ARG 520 HD2 ARG 520 1.888 8.251 6.282 77 HD3 ARG 520 HD3 ARG 520 1.079 7.313 7.537 78 HE ARG 520 HE ARG 520 3.582 8.563 8.302 79 HH11 ARG 520 HH11 ARG 520 0.086 8.787 8.250 80 HH12 ARG 520 HH12 ARG 520 0.017 9.955 9.527 81 HH21 ARG 520 HH21 ARG 520 3.490 10.105 9.987 82 HH22 ARG 520 HH22 ARG 520 1.949 10.712 10.506 83 H VAL 521 HN VAL 521 1.660 2.489 6.715 84 HA VAL 521 HA VAL 521 0.941 1.211 4.193 85 HB VAL 521 HB VAL 521 0.560 0.305 7.050 86 HG11 VAL 521 HG11 VAL 521 -1.285 -0.503 5.669 87 HG12 VAL 521 HG12 VAL 521 -0.207 -1.823 6.119 88 HG13 VAL 521 HG13 VAL 521 -0.135 -1.142 4.493 89 HG21 VAL 521 HG21 VAL 521 2.847 0.166 6.344 90 HG22 VAL 521 HG22 VAL 521 2.378 -0.623 4.840 91 HG23 VAL 521 HG23 VAL 521 2.163 -1.460 6.377 92 H VAL 522 HN VAL 522 -1.017 1.259 3.355 93 HA VAL 522 HA VAL 522 -3.133 2.698 4.787 94 HB VAL 522 HB VAL 522 -2.977 1.942 1.861 95 HG11 VAL 522 HG11 VAL 522 -5.251 2.176 2.664 96 HG12 VAL 522 HG12 VAL 522 -4.818 3.492 1.575 97 HG13 VAL 522 HG13 VAL 522 -4.865 3.770 3.317 98 HG21 VAL 522 HG21 VAL 522 -2.530 4.323 1.472 99 HG22 VAL 522 HG22 VAL 522 -1.254 3.559 2.421 100 HG23 VAL 522 HG23 VAL 522 -2.453 4.581 3.215 101 H HIS 523 HN HIS 523 -5.027 1.705 5.307 102 HA HIS 523 HA HIS 523 -5.081 -1.210 4.924 103 HB2 HIS 523 HB2 HIS 523 -4.978 -0.630 7.251 104 HB3 HIS 523 HB3 HIS 523 -6.264 0.557 7.071 105 HD1 HIS 523 HD1 HIS 523 -8.390 -0.230 7.997 106 HD2 HIS 523 HD2 HIS 523 -6.110 -3.380 6.529 107 HE1 HIS 523 HE1 HIS 523 -9.735 -2.307 8.449 108 HE2 HIS 523 HE2 HIS 523 -8.234 -4.211 7.758 109 H ILE 524 HN ILE 524 -6.420 -1.894 3.447 110 HA ILE 524 HA ILE 524 -8.892 -0.390 2.926 111 HB ILE 524 HB ILE 524 -7.430 -2.346 1.146 112 HG12 ILE 524 HG12 ILE 524 -7.784 0.652 0.913 113 HG13 ILE 524 HG13 ILE 524 -6.307 -0.152 1.426 114 HG21 ILE 524 HG21 ILE 524 -9.925 -0.721 0.661 115 HG22 ILE 524 HG22 ILE 524 -9.807 -2.479 0.753 116 HG23 ILE 524 HG23 ILE 524 -9.045 -1.612 -0.580 117 HD11 ILE 524 HD11 ILE 524 -6.251 0.592 -0.912 118 HD12 ILE 524 HD12 ILE 524 -7.600 -0.488 -1.266 119 HD13 ILE 524 HD13 ILE 524 -6.051 -1.150 -0.743 120 H CYS 525 HN CYS 525 -10.738 -1.273 3.549 121 HA CYS 525 HA CYS 525 -10.780 -4.155 4.144 122 HB2 CYS 525 HB2 CYS 525 -10.780 -2.645 6.169 123 HB3 CYS 525 HB3 CYS 525 -12.328 -2.022 5.618 124 HG CYS 525 HG CYS 525 -13.803 -3.856 6.636 125 H ASN 526 HN ASN 526 -13.206 -4.826 4.420 126 HA ASN 526 HA ASN 526 -15.220 -5.246 3.467 127 HB2 ASN 526 HB2 ASN 526 -14.908 -2.427 2.418 128 HB3 ASN 526 HB3 ASN 526 -16.352 -3.402 2.172 129 HD21 ASN 526 HD21 ASN 526 -17.609 -1.912 3.281 130 HD22 ASN 526 HD22 ASN 526 -17.557 -1.766 5.003 131 H LEU 527 HN LEU 527 -12.736 -5.954 2.185 132 HA LEU 527 HA LEU 527 -13.180 -5.603 -0.657 133 HB2 LEU 527 HB2 LEU 527 -11.076 -7.059 0.941 134 HB3 LEU 527 HB1 LEU 527 -11.099 -7.016 -0.813 135 HG LEU 527 HG LEU 527 -10.960 -4.531 0.891 136 HD11 LEU 527 HD11 LEU 527 -8.989 -5.966 1.272 137 HD12 LEU 527 HD12 LEU 527 -8.592 -4.460 0.441 138 HD13 LEU 527 HD13 LEU 527 -8.687 -5.975 -0.466 139 HD21 LEU 527 HD21 LEU 527 -10.162 -3.533 -1.210 140 HD22 LEU 527 HD22 LEU 527 -11.800 -4.168 -1.343 141 HD23 LEU 527 HD23 LEU 527 -10.447 -5.067 -2.027 142 HA PRO 528 HA PRO 528 -15.529 -9.441 -0.826 143 HB2 PRO 528 HB2 PRO 528 -15.952 -9.352 -3.521 144 HB3 PRO 528 HB3 PRO 528 -16.931 -8.465 -2.351 145 HG2 PRO 528 HG2 PRO 528 -14.700 -7.494 -4.081 146 HG3 PRO 528 HG3 PRO 528 -16.217 -6.686 -3.647 147 HD2 PRO 528 HD2 PRO 528 -13.828 -6.108 -2.478 148 HD3 PRO 528 HD3 PRO 528 -15.384 -5.935 -1.643 149 H GLU 529 HN GLU 529 -14.666 -11.406 -0.945 150 HA GLU 529 HA GLU 529 -12.108 -11.858 -2.078 151 HB2 GLU 529 HB2 GLU 529 -13.804 -13.209 -0.301 152 HB3 GLU 529 HB3 GLU 529 -13.571 -14.303 -1.659 153 HG2 GLU 529 HG2 GLU 529 -11.387 -12.994 -0.056 154 HG3 GLU 529 HG3 GLU 529 -11.914 -14.669 0.089 155 H GLY 530 HN GLY 530 -11.504 -12.799 -3.939 156 HA2 GLY 530 HA2 GLY 530 -11.693 -13.891 -5.973 157 HA3 GLY 530 HA1 GLY 530 -13.409 -14.100 -5.673 158 H SER 531 HN SER 531 -13.469 -11.047 -5.157 159 HA SER 531 HA SER 531 -13.773 -10.368 -7.993 160 HB2 SER 531 HB2 SER 531 -14.724 -8.840 -5.560 161 HB3 SER 531 HB3 SER 531 -15.183 -8.543 -7.234 162 HG SER 531 HG SER 531 -15.748 -11.041 -6.844 163 H CYS 532 HN CYS 532 -12.222 -9.235 -5.021 164 HA CYS 532 HA CYS 532 -10.730 -7.231 -6.498 165 HB2 CYS 532 HB2 CYS 532 -10.636 -8.035 -3.586 166 HB3 CYS 532 HB3 CYS 532 -9.710 -6.716 -4.294 167 HG CYS 532 HG CYS 532 -11.509 -4.946 -3.887 168 H THR 533 HN THR 533 -8.818 -7.603 -7.418 169 HA THR 533 HA THR 533 -7.353 -10.013 -6.588 170 HB THR 533 HB THR 533 -6.200 -9.951 -8.706 171 HG1 THR 533 HG1 THR 533 -7.698 -7.582 -9.303 172 HG21 THR 533 HG21 THR 533 -8.397 -11.023 -8.705 173 HG22 THR 533 HG22 THR 533 -8.064 -10.268 -10.263 174 HG23 THR 533 HG23 THR 533 -9.155 -9.486 -9.120 175 H GLU 534 HN GLU 534 -4.877 -9.714 -6.850 176 HA GLU 534 HA GLU 534 -3.952 -7.928 -4.946 177 HB2 GLU 534 HB2 GLU 534 -2.357 -8.966 -7.294 178 HB3 GLU 534 HB3 GLU 534 -1.718 -8.411 -5.754 179 HG2 GLU 534 HG2 GLU 534 -2.731 -10.284 -4.620 180 HG3 GLU 534 HG3 GLU 534 -3.488 -10.816 -6.119 181 H ASN 535 HN ASN 535 -4.039 -7.614 -8.450 182 HA ASN 535 HA ASN 535 -2.549 -5.249 -8.637 183 HB2 ASN 535 HB2 ASN 535 -4.572 -6.455 -10.524 184 HB3 ASN 535 HB3 ASN 535 -3.574 -5.062 -10.924 185 HD21 ASN 535 HD21 ASN 535 -2.536 -6.083 -12.593 186 HD22 ASN 535 HD22 ASN 535 -1.388 -7.355 -12.355 187 H ASP 536 HN ASP 536 -6.057 -5.761 -8.371 188 HA ASP 536 HA ASP 536 -6.842 -3.152 -9.036 189 HB2 ASP 536 HB2 ASP 536 -8.247 -5.040 -7.136 190 HB3 ASP 536 HB3 ASP 536 -8.949 -3.613 -7.885 191 H VAL 537 HN VAL 537 -6.123 -4.599 -5.902 192 HA VAL 537 HA VAL 537 -6.817 -2.382 -4.319 193 HB VAL 537 HB VAL 537 -4.769 -4.534 -3.748 194 HG11 VAL 537 HG11 VAL 537 -5.098 -4.024 -1.417 195 HG12 VAL 537 HG12 VAL 537 -6.259 -2.764 -1.829 196 HG13 VAL 537 HG13 VAL 537 -4.562 -2.581 -2.276 197 HG21 VAL 537 HG21 VAL 537 -6.930 -5.497 -4.254 198 HG22 VAL 537 HG22 VAL 537 -7.712 -4.400 -3.116 199 HG23 VAL 537 HG23 VAL 537 -6.600 -5.638 -2.527 200 H ILE 538 HN ILE 538 -3.763 -3.382 -5.780 201 HA ILE 538 HA ILE 538 -2.168 -1.282 -4.760 202 HB ILE 538 HB ILE 538 -1.835 -2.932 -7.273 203 HG12 ILE 538 HG12 ILE 538 -0.530 -3.278 -4.568 204 HG13 ILE 538 HG13 ILE 538 -1.955 -4.172 -5.085 205 HG21 ILE 538 HG21 ILE 538 -0.507 -0.889 -7.372 206 HG22 ILE 538 HG22 ILE 538 0.528 -2.302 -7.165 207 HG23 ILE 538 HG23 ILE 538 0.185 -1.251 -5.791 208 HD11 ILE 538 HD11 ILE 538 0.073 -5.481 -5.348 209 HD12 ILE 538 HD12 ILE 538 0.743 -4.244 -6.415 210 HD13 ILE 538 HD13 ILE 538 -0.685 -5.157 -6.907 211 H ASN 539 HN ASN 539 -3.942 -1.709 -7.791 212 HA ASN 539 HA ASN 539 -3.105 0.642 -9.064 213 HB2 ASN 539 HB2 ASN 539 -5.584 -1.033 -9.423 214 HB3 ASN 539 HB3 ASN 539 -5.227 0.363 -10.432 215 HD21 ASN 539 HD21 ASN 539 -5.497 -2.378 -11.239 216 HD22 ASN 539 HD22 ASN 539 -3.988 -2.843 -11.950 217 H LEU 540 HN LEU 540 -5.570 0.119 -6.653 218 HA LEU 540 HA LEU 540 -6.894 2.613 -7.082 219 HB2 LEU 540 HB2 LEU 540 -6.886 0.788 -4.686 220 HB3 LEU 540 HB1 LEU 540 -7.919 2.193 -4.859 221 HG LEU 540 HG LEU 540 -7.992 -0.337 -6.497 222 HD11 LEU 540 HD11 LEU 540 -10.262 -0.489 -5.590 223 HD12 LEU 540 HD12 LEU 540 -9.972 0.968 -4.640 224 HD13 LEU 540 HD13 LEU 540 -9.038 -0.496 -4.320 225 HD21 LEU 540 HD21 LEU 540 -9.905 0.698 -7.669 226 HD22 LEU 540 HD22 LEU 540 -8.379 1.516 -7.999 227 HD23 LEU 540 HD23 LEU 540 -9.534 2.228 -6.874 228 H GLY 541 HN GLY 541 -4.182 1.585 -5.109 229 HA2 GLY 541 HA2 GLY 541 -4.189 3.985 -3.510 230 HA3 GLY 541 HA1 GLY 541 -2.948 2.740 -3.517 231 H LEU 542 HN LEU 542 -2.397 2.787 -6.276 232 HA LEU 542 HA LEU 542 -0.230 4.439 -6.343 233 HB2 LEU 542 HB2 LEU 542 -1.836 3.482 -8.694 234 HB3 LEU 542 HB1 LEU 542 -0.241 4.181 -8.816 235 HG LEU 542 HG LEU 542 -0.850 1.656 -7.284 236 HD11 LEU 542 HD11 LEU 542 0.139 0.470 -9.162 237 HD12 LEU 542 HD12 LEU 542 0.311 1.986 -10.045 238 HD13 LEU 542 HD13 LEU 542 -1.294 1.361 -9.671 239 HD21 LEU 542 HD21 LEU 542 1.132 2.873 -6.540 240 HD22 LEU 542 HD22 LEU 542 1.746 2.882 -8.192 241 HD23 LEU 542 HD23 LEU 542 1.558 1.356 -7.328 242 HA PRO 543 HA PRO 543 -2.838 7.577 -9.279 243 HB2 PRO 543 HB2 PRO 543 -5.087 7.614 -7.272 244 HB3 PRO 543 HB3 PRO 543 -5.119 8.013 -9.003 245 HG2 PRO 543 HG2 PRO 543 -5.959 5.658 -8.235 246 HG3 PRO 543 HG3 PRO 543 -4.866 5.762 -9.630 247 HD2 PRO 543 HD2 PRO 543 -4.283 4.918 -6.825 248 HD3 PRO 543 HD3 PRO 543 -3.642 4.281 -8.351 249 H PHE 544 HN PHE 544 -3.033 7.695 -5.688 250 HA PHE 544 HA PHE 544 -1.993 10.437 -5.932 251 HB2 PHE 544 HB2 PHE 544 -3.629 9.176 -3.755 252 HB3 PHE 544 HB1 PHE 544 -2.776 10.700 -3.533 253 HD1 PHE 544 HD1 PHE 544 -5.419 9.006 -5.471 254 HD2 PHE 544 HD2 PHE 544 -3.616 12.715 -4.425 255 HE1 PHE 544 HE1 PHE 544 -7.300 10.206 -6.505 256 HE2 PHE 544 HE2 PHE 544 -5.495 13.924 -5.454 257 HZ PHE 544 HZ PHE 544 -7.341 12.669 -6.498 258 H GLY 545 HN GLY 545 -1.216 7.294 -4.830 259 HA2 GLY 545 HA2 GLY 545 1.405 8.293 -4.017 260 HA3 GLY 545 HA1 GLY 545 0.480 7.380 -2.829 261 H LYS 546 HN LYS 546 3.034 6.989 -4.604 262 HA LYS 546 HA LYS 546 2.525 4.649 -6.129 263 HB2 LYS 546 HB2 LYS 546 4.458 6.103 -6.570 264 HB3 LYS 546 HB3 LYS 546 5.142 5.666 -5.011 265 HG2 LYS 546 HG2 LYS 546 5.227 3.301 -5.766 266 HG3 LYS 546 HG3 LYS 546 4.680 3.835 -7.356 267 HD2 LYS 546 HD2 LYS 546 6.653 5.238 -7.590 268 HD3 LYS 546 HD3 LYS 546 7.190 4.776 -5.975 269 HE2 LYS 546 HE2 LYS 546 8.403 3.501 -7.634 270 HE3 LYS 546 HE3 LYS 546 7.342 2.433 -6.720 271 HZ1 LYS 546 HZ1 LYS 546 7.260 1.937 -9.072 272 HZ2 LYS 546 HZ2 LYS 546 6.794 3.521 -9.428 273 HZ3 LYS 546 HZ3 LYS 546 5.758 2.514 -8.552 274 H VAL 547 HN VAL 547 2.743 2.551 -5.653 275 HA VAL 547 HA VAL 547 2.741 1.823 -2.827 276 HB VAL 547 HB VAL 547 1.965 0.255 -5.294 277 HG11 VAL 547 HG11 VAL 547 1.097 -1.425 -3.744 278 HG12 VAL 547 HG12 VAL 547 1.747 -0.507 -2.386 279 HG13 VAL 547 HG13 VAL 547 2.840 -1.222 -3.571 280 HG21 VAL 547 HG21 VAL 547 -0.315 0.485 -4.444 281 HG22 VAL 547 HG22 VAL 547 0.415 2.061 -4.746 282 HG23 VAL 547 HG23 VAL 547 0.280 1.453 -3.096 283 H THR 548 HN THR 548 4.267 0.584 -1.901 284 HA THR 548 HA THR 548 6.529 -0.251 -3.577 285 HB THR 548 HB THR 548 7.726 -0.420 -1.370 286 HG1 THR 548 HG1 THR 548 6.657 0.000 0.428 287 HG21 THR 548 HG21 THR 548 7.939 1.542 -2.846 288 HG22 THR 548 HG22 THR 548 8.043 1.980 -1.141 289 HG23 THR 548 HG23 THR 548 6.556 2.280 -2.038 290 H ASN 549 HN ASN 549 4.339 -1.416 -1.050 291 HA ASN 549 HA ASN 549 4.785 -4.154 -1.923 292 HB2 ASN 549 HB2 ASN 549 5.340 -3.248 0.913 293 HB3 ASN 549 HB3 ASN 549 5.129 -4.929 0.449 294 HD21 ASN 549 HD21 ASN 549 7.287 -2.328 0.730 295 HD22 ASN 549 HD22 ASN 549 8.662 -3.090 -0.002 296 H TYR 550 HN TYR 550 3.233 -5.656 -0.783 297 HA TYR 550 HA TYR 550 0.968 -4.329 0.451 298 HB2 TYR 550 HB2 TYR 550 -0.666 -5.245 -1.115 299 HB3 TYR 550 HB3 TYR 550 0.478 -4.212 -1.963 300 HD1 TYR 550 HD1 TYR 550 -0.978 -7.476 -1.759 301 HD2 TYR 550 HD2 TYR 550 2.348 -5.319 -3.287 302 HE1 TYR 550 HE1 TYR 550 -0.519 -9.310 -3.322 303 HE2 TYR 550 HE2 TYR 550 2.819 -7.151 -4.858 304 HH TYR 550 HH TYR 550 0.610 -9.822 -5.295 305 H ILE 551 HN ILE 551 -0.331 -5.672 1.659 306 HA ILE 551 HA ILE 551 0.343 -8.536 1.706 307 HB ILE 551 HB ILE 551 -0.071 -6.734 4.095 308 HG12 ILE 551 HG12 ILE 551 2.116 -8.638 3.249 309 HG13 ILE 551 HG13 ILE 551 2.226 -6.888 3.394 310 HG21 ILE 551 HG21 ILE 551 -0.143 -9.751 4.035 311 HG22 ILE 551 HG22 ILE 551 -1.496 -8.681 4.400 312 HG23 ILE 551 HG23 ILE 551 -0.113 -8.756 5.491 313 HD11 ILE 551 HD11 ILE 551 1.923 -8.879 5.626 314 HD12 ILE 551 HD12 ILE 551 1.863 -7.131 5.836 315 HD13 ILE 551 HD13 ILE 551 3.340 -7.899 5.249 316 H LEU 552 HN LEU 552 -1.371 -9.774 1.378 317 HA LEU 552 HA LEU 552 -4.006 -8.482 1.525 318 HB2 LEU 552 HB2 LEU 552 -2.984 -10.716 -0.217 319 HB3 LEU 552 HB1 LEU 552 -4.665 -10.215 -0.155 320 HG LEU 552 HG LEU 552 -2.420 -8.354 -0.914 321 HD11 LEU 552 HD11 LEU 552 -4.288 -9.884 -2.719 322 HD12 LEU 552 HD12 LEU 552 -2.572 -10.229 -2.503 323 HD13 LEU 552 HD13 LEU 552 -3.081 -8.701 -3.221 324 HD21 LEU 552 HD21 LEU 552 -4.295 -7.074 -1.904 325 HD22 LEU 552 HD22 LEU 552 -4.369 -7.209 -0.149 326 HD23 LEU 552 HD23 LEU 552 -5.414 -8.215 -1.154 327 H MET 553 HN MET 553 -5.021 -9.061 3.330 328 HA MET 553 HA MET 553 -4.953 -11.909 4.055 329 HB2 MET 553 HB2 MET 553 -5.774 -9.520 5.727 330 HB3 MET 553 HB3 MET 553 -5.807 -11.195 6.266 331 HG2 MET 553 HG2 MET 553 -3.380 -11.334 5.944 332 HG3 MET 553 HG3 MET 553 -3.358 -9.644 5.449 333 HE1 MET 553 HE1 MET 553 -1.474 -10.749 7.737 334 HE2 MET 553 HE2 MET 553 -1.641 -9.471 8.941 335 HE3 MET 553 HE3 MET 553 -1.522 -9.061 7.230 336 H LYS 554 HN LYS 554 -6.356 -12.497 2.462 337 HA LYS 554 HA LYS 554 -8.845 -11.245 1.953 338 HB2 LYS 554 HB2 LYS 554 -7.738 -13.953 1.222 339 HB3 LYS 554 HB3 LYS 554 -9.304 -13.375 0.673 340 HG2 LYS 554 HG2 LYS 554 -6.703 -11.954 0.133 341 HG3 LYS 554 HG3 LYS 554 -7.469 -13.092 -0.979 342 HD2 LYS 554 HD2 LYS 554 -9.535 -11.587 -0.791 343 HD3 LYS 554 HD3 LYS 554 -8.443 -10.398 -0.078 344 HE2 LYS 554 HE2 LYS 554 -8.724 -10.061 -2.497 345 HE3 LYS 554 HE3 LYS 554 -7.055 -10.439 -2.067 346 HZ1 LYS 554 HZ1 LYS 554 -8.011 -11.637 -4.057 347 HZ2 LYS 554 HZ2 LYS 554 -8.960 -12.525 -2.963 348 HZ3 LYS 554 HZ3 LYS 554 -7.268 -12.607 -2.886 349 H SER 555 HN SER 555 -7.774 -13.756 4.082 350 HA SER 555 HA SER 555 -10.157 -14.965 4.809 351 HB2 SER 555 HB2 SER 555 -9.003 -15.438 6.966 352 HB3 SER 555 HB3 SER 555 -7.998 -15.786 5.559 353 HG SER 555 HG SER 555 -6.991 -14.561 7.333 354 H THR 556 HN THR 556 -8.862 -11.838 5.705 355 HA THR 556 HA THR 556 -11.117 -11.413 7.536 356 HB THR 556 HB THR 556 -9.848 -9.445 8.353 357 HG1 THR 556 HG1 THR 556 -8.315 -10.020 6.166 358 HG21 THR 556 HG21 THR 556 -9.616 -11.586 9.497 359 HG22 THR 556 HG22 THR 556 -8.089 -10.705 9.519 360 HG23 THR 556 HG23 THR 556 -8.316 -12.048 8.399 361 H ASN 557 HN ASN 557 -10.594 -11.085 4.417 362 HA ASN 557 HA ASN 557 -11.269 -9.752 2.698 363 HB2 ASN 557 HB2 ASN 557 -13.180 -8.720 4.798 364 HB3 ASN 557 HB3 ASN 557 -13.311 -8.382 3.077 365 HD21 ASN 557 HD21 ASN 557 -13.954 -9.971 1.691 366 HD22 ASN 557 HD22 ASN 557 -14.700 -11.444 2.223 367 H GLN 558 HN GLN 558 -9.005 -8.818 4.022 368 HA GLN 558 HA GLN 558 -9.327 -5.930 3.767 369 HB2 GLN 558 HB2 GLN 558 -8.018 -7.361 6.080 370 HB3 GLN 558 HB3 GLN 558 -7.964 -5.631 5.805 371 HG2 GLN 558 HG2 GLN 558 -10.325 -5.441 6.118 372 HG3 GLN 558 HG3 GLN 558 -10.503 -7.198 6.194 373 HE21 GLN 558 HE21 GLN 558 -11.335 -7.290 8.208 374 HE22 GLN 558 HE22 GLN 558 -10.463 -6.864 9.639 375 H ALA 559 HN ALA 559 -7.464 -4.822 3.195 376 HA ALA 559 HA ALA 559 -5.126 -6.469 2.503 377 HB1 ALA 559 HB1 ALA 559 -6.417 -6.056 0.473 378 HB2 ALA 559 HB2 ALA 559 -4.874 -5.199 0.428 379 HB3 ALA 559 HB3 ALA 559 -6.363 -4.322 0.782 380 H PHE 560 HN PHE 560 -3.158 -5.496 2.737 381 HA PHE 560 HA PHE 560 -3.163 -2.777 3.862 382 HB2 PHE 560 HB2 PHE 560 -1.171 -5.005 4.367 383 HB3 PHE 560 HB1 PHE 560 -1.128 -3.398 5.084 384 HD1 PHE 560 HD1 PHE 560 -2.691 -6.681 5.154 385 HD2 PHE 560 HD2 PHE 560 -2.748 -2.756 6.797 386 HE1 PHE 560 HE1 PHE 560 -4.100 -7.482 7.003 387 HE2 PHE 560 HE2 PHE 560 -4.157 -3.550 8.652 388 HZ PHE 560 HZ PHE 560 -4.837 -5.918 8.753 389 H LEU 561 HN LEU 561 -2.108 -1.292 2.721 390 HA LEU 561 HA LEU 561 -0.433 -2.223 0.479 391 HB2 LEU 561 HB2 LEU 561 -2.819 -1.376 0.011 392 HB3 LEU 561 HB1 LEU 561 -2.197 0.209 0.417 393 HG LEU 561 HG LEU 561 -0.598 0.071 -1.435 394 HD11 LEU 561 HD11 LEU 561 -1.905 -2.596 -1.959 395 HD12 LEU 561 HD12 LEU 561 -0.228 -2.317 -1.491 396 HD13 LEU 561 HD13 LEU 561 -0.806 -1.770 -3.062 397 HD21 LEU 561 HD21 LEU 561 -3.376 -0.623 -2.375 398 HD22 LEU 561 HD22 LEU 561 -2.171 0.360 -3.208 399 HD23 LEU 561 HD23 LEU 561 -2.927 0.954 -1.729 400 H GLU 562 HN GLU 562 1.588 -1.411 0.513 401 HA GLU 562 HA GLU 562 2.143 0.730 2.444 402 HB2 GLU 562 HB2 GLU 562 3.347 -1.375 2.772 403 HB3 GLU 562 HB3 GLU 562 3.997 -1.273 1.143 404 HG2 GLU 562 HG2 GLU 562 5.149 0.823 1.791 405 HG3 GLU 562 HG3 GLU 562 4.581 0.574 3.443 406 H MET 563 HN MET 563 3.171 2.587 1.889 407 HA MET 563 HA MET 563 3.358 3.089 -1.008 408 HB2 MET 563 HB2 MET 563 2.762 5.114 1.147 409 HB3 MET 563 HB3 MET 563 2.649 5.342 -0.594 410 HG2 MET 563 HG2 MET 563 0.912 3.609 1.135 411 HG3 MET 563 HG3 MET 563 0.451 5.073 0.271 412 HE1 MET 563 HE1 MET 563 -1.492 2.190 -1.525 413 HE2 MET 563 HE2 MET 563 -1.617 3.638 -0.523 414 HE3 MET 563 HE3 MET 563 -1.004 2.131 0.168 415 H ALA 564 HN ALA 564 4.999 4.310 -1.803 416 HA ALA 564 HA ALA 564 7.522 3.940 -0.606 417 HB1 ALA 564 HB1 ALA 564 8.404 5.159 -2.510 418 HB2 ALA 564 HB2 ALA 564 6.789 5.751 -2.902 419 HB3 ALA 564 HB3 ALA 564 7.155 4.031 -3.033 420 H TYR 565 HN TYR 565 5.239 6.464 -0.312 421 HA TYR 565 HA TYR 565 7.207 8.103 1.123 422 HB2 TYR 565 HB2 TYR 565 5.093 9.275 -0.693 423 HB3 TYR 565 HB3 TYR 565 6.407 10.124 0.114 424 HD1 TYR 565 HD1 TYR 565 5.394 8.322 -2.820 425 HD2 TYR 565 HD2 TYR 565 8.765 9.660 -0.607 426 HE1 TYR 565 HE1 TYR 565 6.816 7.970 -4.790 427 HE2 TYR 565 HE2 TYR 565 10.197 9.316 -2.570 428 HH TYR 565 HH TYR 565 8.955 8.777 -5.673 429 H THR 566 HN THR 566 6.447 9.130 2.897 430 HA THR 566 HA THR 566 4.089 8.261 4.145 431 HB THR 566 HB THR 566 5.929 9.084 5.477 432 HG1 THR 566 HG1 THR 566 4.702 10.115 6.920 433 HG21 THR 566 HG21 THR 566 5.437 11.766 4.181 434 HG22 THR 566 HG22 THR 566 6.852 10.737 3.954 435 HG23 THR 566 HG23 THR 566 6.536 11.469 5.528 436 H GLU 567 HN GLU 567 4.839 11.111 2.209 437 HA GLU 567 HA GLU 567 2.339 12.400 2.459 438 HB2 GLU 567 HB2 GLU 567 3.032 13.570 0.349 439 HB3 GLU 567 HB3 GLU 567 4.209 13.660 1.654 440 HG2 GLU 567 HG2 GLU 567 5.580 12.001 0.632 441 HG3 GLU 567 HG3 GLU 567 4.346 11.650 -0.577 442 H ALA 568 HN ALA 568 3.550 9.936 0.296 443 HA ALA 568 HA ALA 568 1.509 10.023 -1.623 444 HB1 ALA 568 HB1 ALA 568 3.594 8.860 -2.024 445 HB2 ALA 568 HB2 ALA 568 2.253 7.729 -2.182 446 HB3 ALA 568 HB3 ALA 568 3.243 7.722 -0.724 447 H ALA 569 HN ALA 569 1.890 8.097 1.316 448 HA ALA 569 HA ALA 569 -0.519 6.645 1.028 449 HB1 ALA 569 HB1 ALA 569 1.441 5.983 2.425 450 HB2 ALA 569 HB2 ALA 569 -0.118 5.850 3.233 451 HB3 ALA 569 HB3 ALA 569 0.949 7.209 3.593 452 H GLN 570 HN GLN 570 0.313 9.557 2.881 453 HA GLN 570 HA GLN 570 -2.211 9.770 4.151 454 HB2 GLN 570 HB2 GLN 570 -0.035 11.809 3.686 455 HB3 GLN 570 HB3 GLN 570 -1.468 12.118 4.654 456 HG2 GLN 570 HG2 GLN 570 -0.840 10.338 6.185 457 HG3 GLN 570 HG3 GLN 570 0.577 9.980 5.200 458 HE21 GLN 570 HE21 GLN 570 2.311 11.385 5.212 459 HE22 GLN 570 HE22 GLN 570 2.512 12.598 6.428 460 H ALA 571 HN ALA 571 -0.835 11.344 1.271 461 HA ALA 571 HA ALA 571 -2.953 13.141 0.837 462 HB1 ALA 571 HB1 ALA 571 -0.759 13.398 -0.212 463 HB2 ALA 571 HB2 ALA 571 -2.052 13.407 -1.412 464 HB3 ALA 571 HB3 ALA 571 -1.059 11.965 -1.196 465 H MET 572 HN MET 572 -2.372 9.867 -0.408 466 HA MET 572 HA MET 572 -4.599 9.835 -2.138 467 HB2 MET 572 HB2 MET 572 -4.206 7.547 -2.442 468 HB3 MET 572 HB3 MET 572 -2.621 8.216 -2.112 469 HG2 MET 572 HG2 MET 572 -2.626 7.343 0.100 470 HG3 MET 572 HG3 MET 572 -4.323 6.880 -0.026 471 HE1 MET 572 HE1 MET 572 -0.685 6.241 -1.209 472 HE2 MET 572 HE2 MET 572 -1.508 6.505 -2.747 473 HE3 MET 572 HE3 MET 572 -0.878 4.907 -2.346 474 H VAL 573 HN VAL 573 -4.186 8.813 1.212 475 HA VAL 573 HA VAL 573 -6.761 7.693 1.458 476 HB VAL 573 HB VAL 573 -4.786 8.612 3.536 477 HG11 VAL 573 HG11 VAL 573 -6.847 8.778 4.648 478 HG12 VAL 573 HG12 VAL 573 -6.260 7.163 5.049 479 HG13 VAL 573 HG13 VAL 573 -7.499 7.371 3.813 480 HG21 VAL 573 HG21 VAL 573 -5.636 5.900 2.523 481 HG22 VAL 573 HG22 VAL 573 -4.503 6.181 3.845 482 HG23 VAL 573 HG23 VAL 573 -4.093 6.701 2.208 483 H GLN 574 HN GLN 574 -5.489 10.929 2.123 484 HA GLN 574 HA GLN 574 -7.770 11.952 3.387 485 HB2 GLN 574 HB2 GLN 574 -5.750 13.338 1.616 486 HB3 GLN 574 HB3 GLN 574 -6.997 14.186 2.520 487 HG2 GLN 574 HG2 GLN 574 -4.788 12.507 3.685 488 HG3 GLN 574 HG3 GLN 574 -4.867 14.267 3.674 489 HE21 GLN 574 HE21 GLN 574 -4.668 12.454 5.930 490 HE22 GLN 574 HE22 GLN 574 -6.043 12.771 6.929 491 H TYR 575 HN TYR 575 -6.951 11.586 -0.022 492 HA TYR 575 HA TYR 575 -9.363 12.723 -0.996 493 HB2 TYR 575 HB2 TYR 575 -7.305 12.391 -2.380 494 HB3 TYR 575 HB3 TYR 575 -7.647 10.661 -2.375 495 HD1 TYR 575 HD1 TYR 575 -9.155 13.935 -3.282 496 HD2 TYR 575 HD2 TYR 575 -9.041 9.750 -4.027 497 HE1 TYR 575 HE1 TYR 575 -10.627 14.249 -5.220 498 HE2 TYR 575 HE2 TYR 575 -10.516 10.055 -5.971 499 HH TYR 575 HH TYR 575 -11.229 13.161 -7.257 500 H TYR 576 HN TYR 576 -8.389 9.360 -0.343 501 HA TYR 576 HA TYR 576 -10.834 8.330 -1.406 502 HB2 TYR 576 HB2 TYR 576 -8.769 6.916 0.275 503 HB3 TYR 576 HB3 TYR 576 -10.053 6.149 -0.657 504 HD1 TYR 576 HD1 TYR 576 -6.863 6.044 -0.739 505 HD2 TYR 576 HD2 TYR 576 -9.872 7.818 -3.159 506 HE1 TYR 576 HE1 TYR 576 -5.354 5.960 -2.661 507 HE2 TYR 576 HE2 TYR 576 -8.365 7.738 -5.100 508 HH TYR 576 HH TYR 576 -5.604 5.895 -5.202 509 H GLN 577 HN GLN 577 -9.975 9.470 1.741 510 HA GLN 577 HA GLN 577 -12.087 8.044 3.044 511 HB2 GLN 577 HB2 GLN 577 -10.363 10.367 3.855 512 HB3 GLN 577 HB3 GLN 577 -11.746 9.885 4.835 513 HG2 GLN 577 HG2 GLN 577 -10.777 7.652 5.060 514 HG3 GLN 577 HG3 GLN 577 -9.406 8.154 4.074 515 HE21 GLN 577 HE21 GLN 577 -9.577 7.215 6.869 516 HE22 GLN 577 HE22 GLN 577 -8.807 8.438 7.810 517 H GLU 578 HN GLU 578 -11.859 10.994 1.240 518 HA GLU 578 HA GLU 578 -14.610 11.702 1.949 519 HB2 GLU 578 HB2 GLU 578 -12.498 13.218 0.416 520 HB3 GLU 578 HB3 GLU 578 -14.147 13.790 0.642 521 HG2 GLU 578 HG2 GLU 578 -13.801 13.750 3.077 522 HG3 GLU 578 HG3 GLU 578 -12.131 13.251 2.812 523 H LYS 579 HN LYS 579 -12.599 10.865 -0.824 524 HA LYS 579 HA LYS 579 -15.053 10.033 -2.222 525 HB2 LYS 579 HB2 LYS 579 -12.673 11.493 -3.349 526 HB3 LYS 579 HB3 LYS 579 -13.728 10.532 -4.373 527 HG2 LYS 579 HG2 LYS 579 -14.517 12.923 -2.720 528 HG3 LYS 579 HG3 LYS 579 -14.369 12.852 -4.476 529 HD2 LYS 579 HD2 LYS 579 -16.342 11.297 -2.798 530 HD3 LYS 579 HD3 LYS 579 -16.707 12.716 -3.774 531 HE2 LYS 579 HE2 LYS 579 -16.229 11.548 -5.794 532 HE3 LYS 579 HE3 LYS 579 -15.565 10.174 -4.912 533 HZ1 LYS 579 HZ1 LYS 579 -17.723 9.652 -4.073 534 HZ2 LYS 579 HZ2 LYS 579 -17.836 9.806 -5.755 535 HZ3 LYS 579 HZ3 LYS 579 -18.395 11.048 -4.751 536 HA PRO 580 HA PRO 580 -12.261 6.462 -1.519 537 HB2 PRO 580 HB2 PRO 580 -14.817 5.029 -1.264 538 HB3 PRO 580 HB3 PRO 580 -13.475 5.152 -0.117 539 HG2 PRO 580 HG2 PRO 580 -15.803 6.397 0.343 540 HG3 PRO 580 HG3 PRO 580 -14.252 7.148 0.787 541 HD2 PRO 580 HD2 PRO 580 -15.963 7.643 -1.633 542 HD3 PRO 580 HD3 PRO 580 -15.197 8.816 -0.539 543 H ALA 581 HN ALA 581 -11.995 4.453 -2.669 544 HA ALA 581 HA ALA 581 -12.807 4.786 -5.452 545 HB1 ALA 581 HB1 ALA 581 -11.011 3.252 -5.984 546 HB2 ALA 581 HB2 ALA 581 -10.745 2.924 -4.273 547 HB3 ALA 581 HB3 ALA 581 -10.412 4.529 -4.925 548 H ILE 582 HN ILE 582 -13.647 3.054 -6.689 549 HA ILE 582 HA ILE 582 -15.254 1.240 -5.015 550 HB ILE 582 HB ILE 582 -16.028 2.546 -7.629 551 HG12 ILE 582 HG12 ILE 582 -16.939 3.095 -4.800 552 HG13 ILE 582 HG13 ILE 582 -15.934 4.145 -5.775 553 HG21 ILE 582 HG21 ILE 582 -17.638 0.813 -5.759 554 HG22 ILE 582 HG22 ILE 582 -17.066 0.366 -7.367 555 HG23 ILE 582 HG23 ILE 582 -18.263 1.647 -7.182 556 HD11 ILE 582 HD11 ILE 582 -18.224 4.934 -5.697 557 HD12 ILE 582 HD12 ILE 582 -18.784 3.402 -6.367 558 HD13 ILE 582 HD13 ILE 582 -17.771 4.471 -7.337 559 H ILE 583 HN ILE 583 -15.110 -0.878 -5.421 560 HA ILE 583 HA ILE 583 -14.223 -1.714 -8.113 561 HB ILE 583 HB ILE 583 -13.737 -3.128 -5.485 562 HG12 ILE 583 HG12 ILE 583 -11.848 -1.931 -7.522 563 HG13 ILE 583 HG13 ILE 583 -12.148 -1.335 -5.893 564 HG21 ILE 583 HG21 ILE 583 -14.323 -4.753 -7.189 565 HG22 ILE 583 HG22 ILE 583 -12.605 -4.860 -6.808 566 HG23 ILE 583 HG23 ILE 583 -13.130 -4.059 -8.289 567 HD11 ILE 583 HD11 ILE 583 -10.048 -2.527 -5.986 568 HD12 ILE 583 HD12 ILE 583 -10.862 -3.955 -6.624 569 HD13 ILE 583 HD13 ILE 583 -11.201 -3.409 -4.984 570 H ASN 584 HN ASN 584 -15.829 -2.537 -9.228 571 HA ASN 584 HA ASN 584 -17.712 -3.641 -9.834 572 HB2 ASN 584 HB2 ASN 584 -16.858 -5.384 -7.522 573 HB3 ASN 584 HB3 ASN 584 -18.159 -5.804 -8.632 574 HD21 ASN 584 HD21 ASN 584 -15.628 -7.133 -8.099 575 HD22 ASN 584 HD22 ASN 584 -14.815 -7.250 -9.617 576 H GLY 585 HN GLY 585 -18.212 -1.397 -8.277 577 HA2 GLY 585 HA2 GLY 585 -20.233 -0.476 -7.581 578 HA3 GLY 585 HA1 GLY 585 -20.877 -2.097 -7.386 579 H GLU 586 HN GLU 586 -18.028 -2.203 -5.802 580 HA GLU 586 HA GLU 586 -19.334 -1.598 -3.242 581 HB2 GLU 586 HB2 GLU 586 -16.774 -3.128 -3.781 582 HB3 GLU 586 HB3 GLU 586 -17.594 -2.985 -2.232 583 HG2 GLU 586 HG2 GLU 586 -18.752 -4.309 -4.670 584 HG3 GLU 586 HG3 GLU 586 -17.948 -5.156 -3.349 585 H LYS 587 HN LYS 587 -18.746 0.164 -2.138 586 HA LYS 587 HA LYS 587 -16.529 1.760 -3.109 587 HB2 LYS 587 HB2 LYS 587 -18.483 2.308 -0.866 588 HB3 LYS 587 HB3 LYS 587 -17.311 3.448 -1.506 589 HG2 LYS 587 HG2 LYS 587 -18.449 3.423 -3.663 590 HG3 LYS 587 HG3 LYS 587 -19.617 2.260 -3.036 591 HD2 LYS 587 HD2 LYS 587 -20.496 4.555 -3.017 592 HD3 LYS 587 HD3 LYS 587 -20.379 3.880 -1.392 593 HE2 LYS 587 HE2 LYS 587 -18.319 5.104 -1.003 594 HE3 LYS 587 HE3 LYS 587 -18.348 5.722 -2.654 595 HZ1 LYS 587 HZ1 LYS 587 -19.170 7.322 -1.000 596 HZ2 LYS 587 HZ2 LYS 587 -20.437 6.268 -0.617 597 HZ3 LYS 587 HZ3 LYS 587 -20.332 6.941 -2.166 598 H LEU 588 HN LEU 588 -14.565 1.236 -2.426 599 HA LEU 588 HA LEU 588 -14.191 -0.049 0.146 600 HB2 LEU 588 HB2 LEU 588 -12.048 0.904 -1.748 601 HB3 LEU 588 HB1 LEU 588 -11.894 -0.273 -0.459 602 HG LEU 588 HG LEU 588 -13.408 -0.661 -3.037 603 HD11 LEU 588 HD11 LEU 588 -11.056 -0.754 -3.392 604 HD12 LEU 588 HD12 LEU 588 -11.658 -2.412 -3.362 605 HD13 LEU 588 HD13 LEU 588 -10.822 -1.751 -1.958 606 HD21 LEU 588 HD21 LEU 588 -13.019 -2.524 -0.696 607 HD22 LEU 588 HD22 LEU 588 -13.704 -2.978 -2.256 608 HD23 LEU 588 HD23 LEU 588 -14.544 -1.816 -1.228 609 H LEU 589 HN LEU 589 -13.837 1.066 1.956 610 HA LEU 589 HA LEU 589 -13.061 3.838 1.787 611 HB2 LEU 589 HB2 LEU 589 -14.609 3.046 3.553 612 HB3 LEU 589 HB1 LEU 589 -13.334 2.031 4.198 613 HG LEU 589 HG LEU 589 -12.009 4.049 4.719 614 HD11 LEU 589 HD11 LEU 589 -13.089 6.248 4.623 615 HD12 LEU 589 HD12 LEU 589 -14.467 5.529 3.789 616 HD13 LEU 589 HD13 LEU 589 -12.881 5.547 3.019 617 HD21 LEU 589 HD21 LEU 589 -14.799 4.027 5.858 618 HD22 LEU 589 HD22 LEU 589 -13.399 4.817 6.583 619 HD23 LEU 589 HD23 LEU 589 -13.434 3.062 6.419 620 H ILE 590 HN ILE 590 -11.066 4.177 1.161 621 HA ILE 590 HA ILE 590 -8.913 2.413 2.053 622 HB ILE 590 HB ILE 590 -8.862 4.757 0.134 623 HG12 ILE 590 HG12 ILE 590 -8.844 1.797 -0.464 624 HG13 ILE 590 HG13 ILE 590 -10.191 2.889 -0.744 625 HG21 ILE 590 HG21 ILE 590 -6.660 3.887 -0.545 626 HG22 ILE 590 HG22 ILE 590 -6.755 2.702 0.757 627 HG23 ILE 590 HG23 ILE 590 -6.695 4.423 1.136 628 HD11 ILE 590 HD11 ILE 590 -9.005 2.439 -2.811 629 HD12 ILE 590 HD12 ILE 590 -7.499 3.013 -2.098 630 HD13 ILE 590 HD13 ILE 590 -8.830 4.137 -2.368 631 H ARG 591 HN ARG 591 -7.880 2.921 3.886 632 HA ARG 591 HA ARG 591 -7.626 5.725 4.663 633 HB2 ARG 591 HB2 ARG 591 -8.440 5.154 6.976 634 HB3 ARG 591 HB3 ARG 591 -9.670 5.190 5.723 635 HG2 ARG 591 HG2 ARG 591 -9.633 2.761 5.598 636 HG3 ARG 591 HG3 ARG 591 -8.364 2.709 6.824 637 HD2 ARG 591 HD2 ARG 591 -9.825 3.613 8.479 638 HD3 ARG 591 HD3 ARG 591 -11.063 3.964 7.276 639 HE ARG 591 HE ARG 591 -11.102 1.428 6.989 640 HH11 ARG 591 HH11 ARG 591 -10.386 3.021 10.023 641 HH12 ARG 591 HH12 ARG 591 -11.033 1.739 10.993 642 HH21 ARG 591 HH21 ARG 591 -11.974 -0.248 8.265 643 HH22 ARG 591 HH22 ARG 591 -11.940 -0.118 9.994 644 H MET 592 HN MET 592 -6.263 6.028 6.603 645 HA MET 592 HA MET 592 -3.781 4.731 6.187 646 HB2 MET 592 HB2 MET 592 -4.618 6.465 8.523 647 HB3 MET 592 HB3 MET 592 -2.973 6.093 8.042 648 HG2 MET 592 HG2 MET 592 -4.628 7.347 5.954 649 HG3 MET 592 HG3 MET 592 -4.301 8.343 7.373 650 HE1 MET 592 HE1 MET 592 -2.572 6.131 4.569 651 HE2 MET 592 HE2 MET 592 -1.867 5.543 6.075 652 HE3 MET 592 HE3 MET 592 -0.874 6.439 4.925 653 H SER 593 HN SER 593 -2.848 3.039 7.214 654 HA SER 593 HA SER 593 -4.541 1.441 8.915 655 HB2 SER 593 HB2 SER 593 -3.133 0.406 7.153 656 HB3 SER 593 HB3 SER 593 -1.692 0.944 8.015 657 HG SER 593 HG SER 593 -2.409 -1.279 8.414 658 H THR 594 HN THR 594 -4.546 1.474 11.050 659 HA THR 594 HA THR 594 -2.334 2.747 12.462 660 HB THR 594 HB THR 594 -4.590 3.506 13.050 661 HG1 THR 594 HG1 THR 594 -2.727 2.864 14.714 662 HG21 THR 594 HG21 THR 594 -5.838 1.486 12.574 663 HG22 THR 594 HG22 THR 594 -6.131 1.996 14.237 664 HG23 THR 594 HG23 THR 594 -5.040 0.650 13.906 665 H ARG 595 HN ARG 595 -2.868 -0.143 11.260 666 HA ARG 595 HA ARG 595 -2.095 -1.698 13.613 667 HB2 ARG 595 HB2 ARG 595 -2.828 -2.606 10.821 668 HB3 ARG 595 HB3 ARG 595 -2.481 -3.668 12.179 669 HG2 ARG 595 HG2 ARG 595 -4.413 -2.687 13.379 670 HG3 ARG 595 HG3 ARG 595 -4.783 -1.744 11.936 671 HD2 ARG 595 HD2 ARG 595 -4.999 -3.857 10.663 672 HD3 ARG 595 HD3 ARG 595 -4.740 -4.750 12.161 673 HE ARG 595 HE ARG 595 -6.900 -2.864 12.317 674 HH11 ARG 595 HH11 ARG 595 -6.004 -6.122 11.382 675 HH12 ARG 595 HH12 ARG 595 -7.615 -6.747 11.542 676 HH21 ARG 595 HH21 ARG 595 -9.019 -3.682 12.534 677 HH22 ARG 595 HH22 ARG 595 -9.333 -5.357 12.210 678 H TYR 596 HN TYR 596 -0.973 -0.814 10.386 679 HA TYR 596 HA TYR 596 1.742 -1.587 11.201 680 HB2 TYR 596 HB2 TYR 596 0.475 -2.093 8.499 681 HB3 TYR 596 HB3 TYR 596 2.187 -2.291 8.849 682 HD1 TYR 596 HD1 TYR 596 -0.551 -4.126 8.207 683 HD2 TYR 596 HD2 TYR 596 2.361 -3.732 11.277 684 HE1 TYR 596 HE1 TYR 596 -0.962 -6.452 8.889 685 HE2 TYR 596 HE2 TYR 596 1.959 -6.053 11.969 686 HH TYR 596 HH TYR 596 0.372 -8.280 10.104 687 H LYS 597 HN LYS 597 3.219 -0.041 10.869 688 HA LYS 597 HA LYS 597 2.475 2.325 9.341 689 HB2 LYS 597 HB2 LYS 597 4.503 3.332 10.211 690 HB3 LYS 597 HB3 LYS 597 3.605 2.595 11.529 691 HG2 LYS 597 HG2 LYS 597 5.119 0.658 11.450 692 HG3 LYS 597 HG3 LYS 597 6.036 1.449 10.169 693 HD2 LYS 597 HD2 LYS 597 7.160 1.809 12.262 694 HD3 LYS 597 HD3 LYS 597 6.465 3.339 11.724 695 HE2 LYS 597 HE2 LYS 597 4.566 3.000 13.232 696 HE3 LYS 597 HE3 LYS 597 5.263 1.473 13.768 697 HZ1 LYS 597 HZ1 LYS 597 5.732 3.249 15.322 698 HZ2 LYS 597 HZ2 LYS 597 6.490 4.153 14.110 699 HZ3 LYS 597 HZ3 LYS 597 7.167 2.692 14.621 700 H GLU 598 HN GLU 598 4.420 -0.518 9.144 701 HA GLU 598 HA GLU 598 4.921 0.002 6.334 702 HB2 GLU 598 HB2 GLU 598 7.315 -0.590 6.516 703 HB3 GLU 598 HB3 GLU 598 6.931 0.912 7.344 704 HG2 GLU 598 HG2 GLU 598 6.971 -0.223 9.482 705 HG3 GLU 598 HG3 GLU 598 7.260 -1.766 8.680 706 H LEU 599 HN LEU 599 5.376 -1.899 5.146 707 HA LEU 599 HA LEU 599 4.359 -4.310 6.462 708 HB2 LEU 599 HB2 LEU 599 4.848 -3.671 3.549 709 HB3 LEU 599 HB1 LEU 599 4.258 -5.215 4.132 710 HG LEU 599 HG LEU 599 2.803 -2.588 4.475 711 HD11 LEU 599 HD11 LEU 599 2.284 -4.861 2.573 712 HD12 LEU 599 HD12 LEU 599 2.922 -3.278 2.129 713 HD13 LEU 599 HD13 LEU 599 1.286 -3.422 2.775 714 HD21 LEU 599 HD21 LEU 599 0.923 -3.975 5.119 715 HD22 LEU 599 HD22 LEU 599 2.288 -4.253 6.202 716 HD23 LEU 599 HD23 LEU 599 1.907 -5.422 4.934 717 H GLN 600 HN GLN 600 5.499 -6.233 6.514 718 HA GLN 600 HA GLN 600 8.323 -6.050 5.706 719 HB2 GLN 600 HB2 GLN 600 7.172 -7.444 8.132 720 HB3 GLN 600 HB3 GLN 600 8.854 -7.537 7.620 721 HG2 GLN 600 HG2 GLN 600 9.061 -5.110 7.908 722 HG3 GLN 600 HG3 GLN 600 7.392 -5.046 8.466 723 HE21 GLN 600 HE21 GLN 600 7.626 -7.566 9.933 724 HE22 GLN 600 HE22 GLN 600 8.547 -7.202 11.342 725 H LEU 601 HN LEU 601 7.579 -6.927 3.695 726 HA LEU 601 HA LEU 601 6.393 -9.526 3.586 727 HB2 LEU 601 HB2 LEU 601 7.692 -7.789 1.496 728 HB3 LEU 601 HB1 LEU 601 7.040 -9.375 1.139 729 HG LEU 601 HG LEU 601 5.475 -6.987 2.124 730 HD11 LEU 601 HD11 LEU 601 6.163 -6.812 -0.207 731 HD12 LEU 601 HD12 LEU 601 4.425 -7.092 -0.084 732 HD13 LEU 601 HD13 LEU 601 5.503 -8.414 -0.533 733 HD21 LEU 601 HD21 LEU 601 4.573 -9.782 1.437 734 HD22 LEU 601 HD22 LEU 601 3.504 -8.413 1.740 735 HD23 LEU 601 HD23 LEU 601 4.535 -9.027 3.031 736 H LYS 602 HN LYS 602 7.306 -11.457 3.179 737 HA LYS 602 HA LYS 602 10.166 -11.713 3.591 738 HB2 LYS 602 HB2 LYS 602 8.415 -13.228 4.640 739 HB3 LYS 602 HB3 LYS 602 8.147 -13.896 3.039 740 HG2 LYS 602 HG2 LYS 602 9.609 -15.328 4.328 741 HG3 LYS 602 HG3 LYS 602 10.479 -14.633 2.961 742 HD2 LYS 602 HD2 LYS 602 11.535 -13.007 4.398 743 HD3 LYS 602 HD3 LYS 602 10.574 -13.549 5.774 744 HE2 LYS 602 HE2 LYS 602 12.846 -14.441 5.864 745 HE3 LYS 602 HE3 LYS 602 11.656 -15.727 5.690 746 HZ1 LYS 602 HZ1 LYS 602 13.275 -14.587 3.478 747 HZ2 LYS 602 HZ2 LYS 602 12.173 -15.862 3.345 748 HZ3 LYS 602 HZ3 LYS 602 13.583 -16.053 4.257 749 H LYS 603 HN LYS 603 8.091 -11.170 1.088 750 HA LYS 603 HA LYS 603 10.012 -12.187 -0.895 751 HB2 LYS 603 HB2 LYS 603 7.021 -11.865 -1.228 752 HB3 LYS 603 HB3 LYS 603 8.136 -12.412 -2.470 753 HG2 LYS 603 HG2 LYS 603 7.534 -13.840 0.112 754 HG3 LYS 603 HG3 LYS 603 6.909 -14.268 -1.480 755 HD2 LYS 603 HD2 LYS 603 9.817 -14.259 -0.672 756 HD3 LYS 603 HD3 LYS 603 8.797 -15.689 -0.825 757 HE2 LYS 603 HE2 LYS 603 8.486 -15.219 -3.201 758 HE3 LYS 603 HE3 LYS 603 9.488 -13.776 -3.052 759 HZ1 LYS 603 HZ1 LYS 603 10.397 -16.554 -2.543 760 HZ2 LYS 603 HZ2 LYS 603 11.353 -15.165 -2.444 761 HZ3 LYS 603 HZ3 LYS 603 10.729 -15.655 -3.936 762 HA PRO 604 HA PRO 604 10.115 -7.677 -1.387 763 HB2 PRO 604 HB2 PRO 604 12.513 -7.607 -2.652 764 HB3 PRO 604 HB3 PRO 604 12.356 -7.728 -0.897 765 HG2 PRO 604 HG2 PRO 604 12.947 -9.858 -2.899 766 HG3 PRO 604 HG3 PRO 604 13.614 -9.627 -1.274 767 HD2 PRO 604 HD2 PRO 604 11.646 -11.431 -1.877 768 HD3 PRO 604 HD3 PRO 604 11.861 -10.705 -0.274 769 H GLY 605 HN GLY 605 8.371 -7.729 -2.871 770 HA2 GLY 605 HA2 GLY 605 8.855 -8.519 -5.615 771 HA3 GLY 605 HA1 GLY 605 7.346 -7.918 -4.951 772 H LYS 606 HN LYS 606 10.539 -6.406 -4.854 773 HA LYS 606 HA LYS 606 9.705 -4.472 -6.869 774 HB2 LYS 606 HB2 LYS 606 10.528 -3.777 -4.065 775 HB3 LYS 606 HB3 LYS 606 10.777 -2.647 -5.390 776 HG2 LYS 606 HG2 LYS 606 8.116 -3.829 -4.628 777 HG3 LYS 606 HG3 LYS 606 8.695 -2.238 -4.130 778 HD2 LYS 606 HD2 LYS 606 8.795 -1.506 -6.431 779 HD3 LYS 606 HD3 LYS 606 8.366 -3.119 -6.998 780 HE2 LYS 606 HE2 LYS 606 6.616 -1.322 -5.328 781 HE3 LYS 606 HE3 LYS 606 6.455 -1.586 -7.063 782 HZ1 LYS 606 HZ1 LYS 606 6.114 -3.972 -6.558 783 HZ2 LYS 606 HZ2 LYS 606 4.896 -2.970 -5.952 784 HZ3 LYS 606 HZ3 LYS 606 6.076 -3.589 -4.909 785 H ASN 607 HN ASN 607 11.321 -6.437 -7.449 786 HA ASN 607 HA ASN 607 13.890 -5.064 -7.780 787 HB2 ASN 607 HB2 ASN 607 13.492 -7.955 -7.004 788 HB3 ASN 607 HB3 ASN 607 14.998 -7.345 -7.681 789 HD21 ASN 607 HD21 ASN 607 16.221 -5.856 -6.485 790 HD22 ASN 607 HD22 ASN 607 16.024 -5.697 -4.771 791 H VAL 608 HN VAL 608 11.351 -5.637 -9.351 792 HA VAL 608 HA VAL 608 12.674 -6.780 -11.721 793 HB VAL 608 HB VAL 608 9.775 -7.174 -10.953 794 HG11 VAL 608 HG11 VAL 608 10.093 -7.034 -13.364 795 HG12 VAL 608 HG12 VAL 608 9.686 -8.680 -12.880 796 HG13 VAL 608 HG13 VAL 608 11.353 -8.265 -13.279 797 HG21 VAL 608 HG21 VAL 608 12.071 -9.131 -10.962 798 HG22 VAL 608 HG22 VAL 608 10.379 -9.544 -10.688 799 HG23 VAL 608 HG23 VAL 608 11.231 -8.508 -9.542 800 H ALA 609 HN ALA 609 9.875 -4.830 -10.666 801 HA ALA 609 HA ALA 609 9.869 -3.533 -13.293 802 HB1 ALA 609 HB1 ALA 609 7.777 -4.575 -12.567 803 HB2 ALA 609 HB2 ALA 609 7.605 -2.831 -12.771 804 HB3 ALA 609 HB3 ALA 609 7.747 -3.519 -11.153 805 H ALA 610 HN ALA 610 11.178 -1.853 -13.309 806 HA ALA 610 HA ALA 610 11.971 0.230 -12.994 807 HB1 ALA 610 HB1 ALA 610 9.637 0.871 -13.141 808 HB2 ALA 610 HB2 ALA 610 10.522 1.912 -12.026 809 HB3 ALA 610 HB3 ALA 610 9.458 0.652 -11.401 810 H ILE 611 HN ILE 611 13.783 -0.185 -11.881 811 HA ILE 611 HA ILE 611 13.651 -0.175 -8.948 812 HB ILE 611 HB ILE 611 15.991 -0.879 -10.735 813 HG12 ILE 611 HG12 ILE 611 14.280 -2.548 -11.003 814 HG13 ILE 611 HG13 ILE 611 15.521 -3.215 -9.949 815 HG21 ILE 611 HG21 ILE 611 16.688 -0.045 -8.556 816 HG22 ILE 611 HG22 ILE 611 17.000 -1.776 -8.687 817 HG23 ILE 611 HG23 ILE 611 15.618 -1.197 -7.756 818 HD11 ILE 611 HD11 ILE 611 12.895 -2.057 -9.052 819 HD12 ILE 611 HD12 ILE 611 14.132 -2.757 -8.009 820 HD13 ILE 611 HD13 ILE 611 13.285 -3.770 -9.178 821 H ILE 612 HN ILE 612 13.449 1.971 -8.486 822 HA ILE 612 HA ILE 612 15.234 3.866 -9.811 823 HB ILE 612 HB ILE 612 12.873 4.429 -8.015 824 HG12 ILE 612 HG12 ILE 612 13.005 4.397 -11.039 825 HG13 ILE 612 HG13 ILE 612 12.223 3.170 -10.050 826 HG21 ILE 612 HG21 ILE 612 14.398 6.182 -9.942 827 HG22 ILE 612 HG22 ILE 612 14.458 6.273 -8.181 828 HG23 ILE 612 HG23 ILE 612 12.963 6.663 -9.035 829 HD11 ILE 612 HD11 ILE 612 11.426 6.055 -10.319 830 HD12 ILE 612 HD12 ILE 612 10.689 4.911 -9.198 831 HD13 ILE 612 HD13 ILE 612 10.566 4.646 -10.937 832 H GLN 613 HN GLN 613 17.130 3.276 -8.612 833 HA GLN 613 HA GLN 613 17.135 4.023 -5.783 834 HB2 GLN 613 HB2 GLN 613 19.401 2.988 -7.497 835 HB3 GLN 613 HB3 GLN 613 19.456 3.241 -5.760 836 HG2 GLN 613 HG2 GLN 613 17.615 1.541 -5.566 837 HG3 GLN 613 HG3 GLN 613 17.872 1.190 -7.275 838 HE21 GLN 613 HE21 GLN 613 18.591 -0.893 -6.947 839 HE22 GLN 613 HE22 GLN 613 20.106 -1.258 -6.199 840 H ASP 614 HN ASP 614 18.007 5.194 -8.899 841 HA ASP 614 HA ASP 614 20.004 7.040 -8.322 842 HB2 ASP 614 HB2 ASP 614 17.794 7.231 -10.383 843 HB3 ASP 614 HB3 ASP 614 19.215 8.264 -10.348 844 H ILE 615 HN ILE 615 16.503 7.436 -8.295 845 HA ILE 615 HA ILE 615 16.780 9.715 -6.495 846 HB ILE 615 HB ILE 615 15.089 11.024 -7.691 847 HG12 ILE 615 HG12 ILE 615 14.039 8.993 -8.836 848 HG13 ILE 615 HG13 ILE 615 14.173 10.464 -9.789 849 HG21 ILE 615 HG21 ILE 615 16.442 11.735 -9.596 850 HG22 ILE 615 HG22 ILE 615 17.436 10.290 -9.410 851 HG23 ILE 615 HG23 ILE 615 17.398 11.504 -8.132 852 HD11 ILE 615 HD11 ILE 615 16.174 9.545 -10.877 853 HD12 ILE 615 HD12 ILE 615 14.740 8.548 -11.124 854 HD13 ILE 615 HD13 ILE 615 15.963 8.057 -9.957 855 H HIS 616 HN HIS 616 13.900 10.247 -6.541 856 HA HIS 616 HA HIS 616 13.116 8.063 -4.834 857 HB2 HIS 616 HB2 HIS 616 11.641 10.594 -5.576 858 HB3 HIS 616 HB3 HIS 616 11.132 9.443 -4.350 859 HD1 HIS 616 HD1 HIS 616 13.083 12.458 -4.799 860 HD2 HIS 616 HD2 HIS 616 13.069 9.265 -2.136 861 HE1 HIS 616 HE1 HIS 616 14.405 13.233 -2.806 862 HE2 HIS 616 HE2 HIS 616 14.538 11.221 -1.295 863 H SER 617 HN SER 617 11.418 9.709 -7.540 864 HA SER 617 HA SER 617 10.829 7.176 -8.764 865 HB2 SER 617 HB2 SER 617 8.343 7.459 -8.645 866 HB3 SER 617 HB3 SER 617 9.100 7.103 -7.093 867 HG SER 617 HG SER 617 8.326 9.677 -8.028 868 H GLN 618 HN GLN 618 12.204 8.847 -10.083 869 HA GLN 618 HA GLN 618 10.329 10.035 -12.006 870 HB2 GLN 618 HB2 GLN 618 12.902 11.262 -10.997 871 HB3 GLN 618 HB3 GLN 618 12.050 11.825 -12.426 872 HG2 GLN 618 HG2 GLN 618 10.183 12.526 -11.145 873 HG3 GLN 618 HG3 GLN 618 10.785 11.708 -9.704 874 HE21 GLN 618 HE21 GLN 618 12.894 13.496 -11.812 875 HE22 GLN 618 HE22 GLN 618 13.196 14.803 -10.725 876 H ARG 619 HN ARG 619 10.841 9.712 -14.134 877 HA ARG 619 HA ARG 619 11.702 8.628 -15.937 878 HB2 ARG 619 HB2 ARG 619 14.311 9.287 -14.561 879 HB3 ARG 619 HB3 ARG 619 14.139 8.832 -16.252 880 HG2 ARG 619 HG2 ARG 619 12.831 10.837 -16.673 881 HG3 ARG 619 HG3 ARG 619 12.939 11.279 -14.968 882 HD2 ARG 619 HD2 ARG 619 15.416 11.353 -15.212 883 HD3 ARG 619 HD3 ARG 619 15.211 11.078 -16.942 884 HE ARG 619 HE ARG 619 13.631 13.253 -16.340 885 HH11 ARG 619 HH11 ARG 619 17.034 12.467 -16.110 886 HH12 ARG 619 HH12 ARG 619 17.556 14.112 -16.274 887 HH21 ARG 619 HH21 ARG 619 14.315 15.421 -16.564 888 HH22 ARG 619 HH22 ARG 619 16.008 15.795 -16.526 889 H GLU 620 HN GLU 620 10.734 6.642 -15.089 890 HA GLU 620 HA GLU 620 12.457 4.829 -13.633 891 HB2 GLU 620 HB2 GLU 620 10.508 3.321 -13.640 892 HB3 GLU 620 HB3 GLU 620 10.115 4.916 -13.017 893 HG2 GLU 620 HG2 GLU 620 9.014 5.511 -15.051 894 HG3 GLU 620 HG3 GLU 620 9.563 4.031 -15.836 895 H ARG 621 HN ARG 621 12.112 2.417 -14.454 896 HA ARG 621 HA ARG 621 12.667 0.794 -15.926 897 HB2 ARG 621 HB2 ARG 621 11.770 2.835 -17.966 898 HB3 ARG 621 HB3 ARG 621 12.202 1.177 -18.357 899 HG2 ARG 621 HG2 ARG 621 10.381 0.334 -17.035 900 HG3 ARG 621 HG3 ARG 621 10.002 1.956 -16.454 901 HD2 ARG 621 HD2 ARG 621 8.479 1.232 -18.239 902 HD3 ARG 621 HD3 ARG 621 9.414 2.652 -18.699 903 HE ARG 621 HE ARG 621 10.565 0.142 -19.542 904 HH11 ARG 621 HH11 ARG 621 8.397 2.760 -20.352 905 HH12 ARG 621 HH12 ARG 621 8.469 2.471 -22.060 906 HH21 ARG 621 HH21 ARG 621 10.687 -0.235 -21.805 907 HH22 ARG 621 HH22 ARG 621 9.778 0.770 -22.887 Start of MODEL 18 1 H1 GLY 510 HT1 GLY 510 11.205 -8.438 5.111 2 H2 GLY 510 HT2 GLY 510 12.250 -7.910 6.330 3 H3 GLY 510 HT3 GLY 510 12.014 -9.563 6.079 4 HA2 GLY 510 HA1 GLY 510 14.130 -8.906 5.176 5 HA3 GLY 510 HA2 GLY 510 13.033 -9.405 3.896 6 H ALA 511 HN ALA 511 15.001 -7.982 2.974 7 HA ALA 511 HA ALA 511 14.354 -5.139 3.095 8 HB1 ALA 511 HB1 ALA 511 16.651 -6.548 1.749 9 HB2 ALA 511 HB2 ALA 511 16.688 -5.813 3.350 10 HB3 ALA 511 HB3 ALA 511 16.459 -4.804 1.922 11 H MET 512 HN MET 512 12.428 -5.125 1.918 12 HA MET 512 HA MET 512 12.903 -5.147 -0.974 13 HB2 MET 512 HB2 MET 512 11.671 -7.240 -0.217 14 HB3 MET 512 HB3 MET 512 10.343 -6.188 0.251 15 HG2 MET 512 HG2 MET 512 9.981 -5.513 -2.001 16 HG3 MET 512 HG3 MET 512 11.463 -6.299 -2.536 17 HE1 MET 512 HE1 MET 512 8.682 -6.710 -3.986 18 HE2 MET 512 HE2 MET 512 8.677 -8.455 -4.242 19 HE3 MET 512 HE3 MET 512 10.158 -7.531 -4.493 20 H ALA 513 HN ALA 513 12.783 -3.157 1.201 21 HA ALA 513 HA ALA 513 11.128 -1.216 -0.132 22 HB1 ALA 513 HB1 ALA 513 10.500 -2.015 2.710 23 HB2 ALA 513 HB2 ALA 513 9.453 -2.233 1.308 24 HB3 ALA 513 HB3 ALA 513 9.836 -0.609 1.881 25 H GLN 514 HN GLN 514 12.151 0.699 -0.030 26 HA GLN 514 HA GLN 514 14.328 1.060 1.878 27 HB2 GLN 514 HB2 GLN 514 13.288 2.974 -0.214 28 HB3 GLN 514 HB3 GLN 514 14.784 3.130 0.689 29 HG2 GLN 514 HG2 GLN 514 14.167 0.922 -1.262 30 HG3 GLN 514 HG3 GLN 514 15.119 2.358 -1.627 31 HE21 GLN 514 HE21 GLN 514 16.372 2.313 1.053 32 HE22 GLN 514 HE22 GLN 514 17.537 1.036 0.987 33 H ARG 515 HN ARG 515 11.062 1.936 1.343 34 HA ARG 515 HA ARG 515 9.502 2.964 2.657 35 HB2 ARG 515 HB2 ARG 515 11.790 3.562 4.508 36 HB3 ARG 515 HB3 ARG 515 10.088 3.825 4.881 37 HG2 ARG 515 HG2 ARG 515 9.765 1.337 4.566 38 HG3 ARG 515 HG3 ARG 515 11.525 1.208 4.521 39 HD2 ARG 515 HD2 ARG 515 9.820 2.230 6.787 40 HD3 ARG 515 HD3 ARG 515 10.791 0.760 6.762 41 HE ARG 515 HE ARG 515 12.483 2.935 6.286 42 HH11 ARG 515 HH11 ARG 515 10.576 1.539 8.878 43 HH12 ARG 515 HH12 ARG 515 11.533 2.278 10.128 44 HH21 ARG 515 HH21 ARG 515 13.729 3.898 7.941 45 HH22 ARG 515 HH22 ARG 515 13.323 3.600 9.601 46 H LYS 516 HN LYS 516 12.488 4.455 1.911 47 HA LYS 516 HA LYS 516 13.005 6.446 0.929 48 HB2 LYS 516 HB2 LYS 516 10.006 6.794 0.926 49 HB3 LYS 516 HB3 LYS 516 11.094 8.060 0.379 50 HG2 LYS 516 HG2 LYS 516 11.142 5.294 -0.787 51 HG3 LYS 516 HG3 LYS 516 10.081 6.566 -1.396 52 HD2 LYS 516 HD2 LYS 516 12.041 7.988 -1.801 53 HD3 LYS 516 HD3 LYS 516 13.090 6.693 -1.222 54 HE2 LYS 516 HE2 LYS 516 11.228 6.485 -3.585 55 HE3 LYS 516 HE3 LYS 516 12.957 6.809 -3.689 56 HZ1 LYS 516 HZ1 LYS 516 13.347 4.667 -2.574 57 HZ2 LYS 516 HZ2 LYS 516 12.555 4.494 -4.060 58 HZ3 LYS 516 HZ3 LYS 516 11.684 4.352 -2.619 59 H GLY 517 HN GLY 517 13.220 5.981 3.609 60 HA2 GLY 517 HA2 GLY 517 13.727 7.118 5.527 61 HA3 GLY 517 HA1 GLY 517 13.378 8.617 4.678 62 H ALA 518 HN ALA 518 10.941 6.238 4.624 63 HA ALA 518 HA ALA 518 9.611 7.233 7.011 64 HB1 ALA 518 HB1 ALA 518 9.043 8.953 5.380 65 HB2 ALA 518 HB2 ALA 518 7.618 8.030 5.856 66 HB3 ALA 518 HB3 ALA 518 8.387 7.724 4.299 67 H GLY 519 HN GLY 519 7.975 5.941 4.173 68 HA2 GLY 519 HA2 GLY 519 7.041 3.854 3.805 69 HA3 GLY 519 HA1 GLY 519 7.858 3.266 5.246 70 H ARG 520 HN ARG 520 4.905 3.949 3.927 71 HA ARG 520 HA ARG 520 3.662 3.787 6.569 72 HB2 ARG 520 HB2 ARG 520 2.978 5.806 4.444 73 HB3 ARG 520 HB3 ARG 520 1.822 5.327 5.676 74 HG2 ARG 520 HG2 ARG 520 3.491 6.046 7.396 75 HG3 ARG 520 HG3 ARG 520 4.460 6.710 6.077 76 HD2 ARG 520 HD2 ARG 520 2.667 8.188 5.442 77 HD3 ARG 520 HD3 ARG 520 1.595 7.459 6.633 78 HE ARG 520 HE ARG 520 3.961 9.100 7.268 79 HH11 ARG 520 HH11 ARG 520 0.841 7.761 8.141 80 HH12 ARG 520 HH12 ARG 520 0.679 8.735 9.567 81 HH21 ARG 520 HH21 ARG 520 3.744 10.392 9.137 82 HH22 ARG 520 HH22 ARG 520 2.331 10.240 10.132 83 H VAL 521 HN VAL 521 1.595 2.822 6.574 84 HA VAL 521 HA VAL 521 1.023 1.283 4.132 85 HB VAL 521 HB VAL 521 0.652 0.430 7.011 86 HG11 VAL 521 HG11 VAL 521 -1.188 -0.392 5.640 87 HG12 VAL 521 HG12 VAL 521 -0.115 -1.712 6.106 88 HG13 VAL 521 HG13 VAL 521 -0.040 -1.051 4.473 89 HG21 VAL 521 HG21 VAL 521 2.942 0.246 6.355 90 HG22 VAL 521 HG22 VAL 521 2.497 -0.510 4.826 91 HG23 VAL 521 HG23 VAL 521 2.243 -1.373 6.343 92 H VAL 522 HN VAL 522 -0.922 1.409 3.302 93 HA VAL 522 HA VAL 522 -3.065 2.728 4.827 94 HB VAL 522 HB VAL 522 -2.777 2.300 1.845 95 HG11 VAL 522 HG11 VAL 522 -5.096 2.204 2.513 96 HG12 VAL 522 HG12 VAL 522 -4.756 3.689 1.627 97 HG13 VAL 522 HG13 VAL 522 -4.924 3.729 3.382 98 HG21 VAL 522 HG21 VAL 522 -2.537 4.719 1.727 99 HG22 VAL 522 HG22 VAL 522 -1.270 4.010 2.730 100 HG23 VAL 522 HG23 VAL 522 -2.643 4.821 3.484 101 H HIS 523 HN HIS 523 -4.930 1.600 5.271 102 HA HIS 523 HA HIS 523 -4.970 -1.162 4.277 103 HB2 HIS 523 HB2 HIS 523 -5.785 -1.956 6.282 104 HB3 HIS 523 HB3 HIS 523 -4.728 -0.668 6.832 105 HD1 HIS 523 HD1 HIS 523 -5.810 1.231 8.152 106 HD2 HIS 523 HD2 HIS 523 -8.547 -1.415 6.503 107 HE1 HIS 523 HE1 HIS 523 -7.989 1.746 9.274 108 HE2 HIS 523 HE2 HIS 523 -9.556 -0.053 8.469 109 H ILE 524 HN ILE 524 -6.703 -1.920 3.269 110 HA ILE 524 HA ILE 524 -8.831 0.027 2.685 111 HB ILE 524 HB ILE 524 -7.703 -2.188 0.975 112 HG12 ILE 524 HG12 ILE 524 -7.686 0.809 0.590 113 HG13 ILE 524 HG13 ILE 524 -6.338 -0.114 1.242 114 HG21 ILE 524 HG21 ILE 524 -9.995 -0.302 0.446 115 HG22 ILE 524 HG22 ILE 524 -10.050 -2.066 0.526 116 HG23 ILE 524 HG23 ILE 524 -9.197 -1.268 -0.796 117 HD11 ILE 524 HD11 ILE 524 -6.072 -1.277 -0.827 118 HD12 ILE 524 HD12 ILE 524 -6.094 0.458 -1.139 119 HD13 ILE 524 HD13 ILE 524 -7.520 -0.523 -1.487 120 H CYS 525 HN CYS 525 -10.930 -0.556 2.858 121 HA CYS 525 HA CYS 525 -11.443 -3.213 4.022 122 HB2 CYS 525 HB2 CYS 525 -12.858 -0.607 4.612 123 HB3 CYS 525 HB3 CYS 525 -13.205 -2.164 5.354 124 HG CYS 525 HG CYS 525 -10.467 -2.284 6.366 125 H ASN 526 HN ASN 526 -13.867 -3.714 3.936 126 HA ASN 526 HA ASN 526 -15.789 -4.135 2.827 127 HB2 ASN 526 HB2 ASN 526 -15.089 -1.682 1.200 128 HB3 ASN 526 HB3 ASN 526 -16.639 -2.515 1.167 129 HD21 ASN 526 HD21 ASN 526 -18.009 -2.363 2.952 130 HD22 ASN 526 HD22 ASN 526 -17.822 -1.116 4.137 131 H LEU 527 HN LEU 527 -13.192 -5.209 2.005 132 HA LEU 527 HA LEU 527 -13.339 -5.425 -0.887 133 HB2 LEU 527 HB2 LEU 527 -11.443 -6.500 1.195 134 HB3 LEU 527 HB1 LEU 527 -11.300 -6.885 -0.511 135 HG LEU 527 HG LEU 527 -11.248 -4.057 0.532 136 HD11 LEU 527 HD11 LEU 527 -8.896 -5.808 -0.165 137 HD12 LEU 527 HD12 LEU 527 -9.390 -5.402 1.478 138 HD13 LEU 527 HD13 LEU 527 -8.852 -4.129 0.381 139 HD21 LEU 527 HD21 LEU 527 -10.453 -5.337 -2.077 140 HD22 LEU 527 HD22 LEU 527 -10.169 -3.651 -1.650 141 HD23 LEU 527 HD23 LEU 527 -11.819 -4.255 -1.803 142 HA PRO 528 HA PRO 528 -15.651 -9.299 -0.508 143 HB2 PRO 528 HB2 PRO 528 -15.865 -9.702 -3.201 144 HB3 PRO 528 HB3 PRO 528 -16.967 -8.674 -2.281 145 HG2 PRO 528 HG2 PRO 528 -14.638 -7.915 -3.988 146 HG3 PRO 528 HG3 PRO 528 -16.212 -7.119 -3.820 147 HD2 PRO 528 HD2 PRO 528 -13.956 -6.219 -2.603 148 HD3 PRO 528 HD3 PRO 528 -15.576 -5.992 -1.918 149 H GLU 529 HN GLU 529 -14.703 -11.206 -0.205 150 HA GLU 529 HA GLU 529 -12.043 -11.734 -1.044 151 HB2 GLU 529 HB2 GLU 529 -12.488 -14.026 -0.113 152 HB3 GLU 529 HB3 GLU 529 -12.748 -12.699 1.009 153 HG2 GLU 529 HG2 GLU 529 -15.119 -12.862 0.753 154 HG3 GLU 529 HG3 GLU 529 -14.943 -14.049 -0.540 155 H GLY 530 HN GLY 530 -11.255 -12.950 -2.693 156 HA2 GLY 530 HA2 GLY 530 -11.247 -14.461 -4.444 157 HA3 GLY 530 HA1 GLY 530 -12.950 -14.757 -4.158 158 H SER 531 HN SER 531 -13.236 -11.672 -4.347 159 HA SER 531 HA SER 531 -13.619 -11.715 -7.248 160 HB2 SER 531 HB2 SER 531 -15.541 -11.197 -5.710 161 HB3 SER 531 HB3 SER 531 -14.702 -9.719 -5.249 162 HG SER 531 HG SER 531 -15.223 -8.826 -7.098 163 H CYS 532 HN CYS 532 -11.987 -9.931 -4.701 164 HA CYS 532 HA CYS 532 -11.028 -7.879 -6.483 165 HB2 CYS 532 HB2 CYS 532 -10.110 -8.572 -3.685 166 HB3 CYS 532 HB3 CYS 532 -9.757 -7.086 -4.560 167 HG CYS 532 HG CYS 532 -12.569 -8.019 -2.957 168 H THR 533 HN THR 533 -9.006 -7.729 -7.402 169 HA THR 533 HA THR 533 -7.342 -10.135 -7.163 170 HB THR 533 HB THR 533 -6.294 -9.514 -9.262 171 HG1 THR 533 HG1 THR 533 -8.098 -7.310 -9.429 172 HG21 THR 533 HG21 THR 533 -8.203 -9.726 -10.779 173 HG22 THR 533 HG22 THR 533 -9.299 -9.313 -9.461 174 HG23 THR 533 HG23 THR 533 -8.366 -10.807 -9.395 175 H GLU 534 HN GLU 534 -4.955 -9.713 -7.313 176 HA GLU 534 HA GLU 534 -4.139 -7.952 -5.274 177 HB2 GLU 534 HB2 GLU 534 -2.424 -9.195 -7.437 178 HB3 GLU 534 HB3 GLU 534 -1.878 -8.602 -5.869 179 HG2 GLU 534 HG2 GLU 534 -3.170 -10.312 -4.742 180 HG3 GLU 534 HG3 GLU 534 -3.803 -10.878 -6.281 181 H ASN 535 HN ASN 535 -4.248 -7.701 -8.766 182 HA ASN 535 HA ASN 535 -2.780 -5.330 -9.094 183 HB2 ASN 535 HB2 ASN 535 -4.995 -6.562 -10.732 184 HB3 ASN 535 HB3 ASN 535 -4.149 -5.100 -11.226 185 HD21 ASN 535 HD21 ASN 535 -4.315 -7.794 -12.411 186 HD22 ASN 535 HD22 ASN 535 -2.677 -8.315 -12.604 187 H ASP 536 HN ASP 536 -6.251 -5.839 -8.485 188 HA ASP 536 HA ASP 536 -7.063 -3.212 -9.075 189 HB2 ASP 536 HB2 ASP 536 -8.331 -5.234 -7.225 190 HB3 ASP 536 HB3 ASP 536 -9.078 -3.712 -7.690 191 H VAL 537 HN VAL 537 -6.229 -4.716 -5.989 192 HA VAL 537 HA VAL 537 -6.882 -2.483 -4.396 193 HB VAL 537 HB VAL 537 -5.014 -4.782 -3.818 194 HG11 VAL 537 HG11 VAL 537 -5.253 -4.235 -1.479 195 HG12 VAL 537 HG12 VAL 537 -6.299 -2.874 -1.878 196 HG13 VAL 537 HG13 VAL 537 -4.599 -2.848 -2.350 197 HG21 VAL 537 HG21 VAL 537 -7.286 -5.499 -4.307 198 HG22 VAL 537 HG22 VAL 537 -7.917 -4.357 -3.117 199 HG23 VAL 537 HG23 VAL 537 -6.921 -5.718 -2.595 200 H ILE 538 HN ILE 538 -3.822 -3.577 -5.811 201 HA ILE 538 HA ILE 538 -2.212 -1.532 -4.694 202 HB ILE 538 HB ILE 538 -1.813 -3.107 -7.245 203 HG12 ILE 538 HG12 ILE 538 -0.653 -3.543 -4.483 204 HG13 ILE 538 HG13 ILE 538 -1.984 -4.469 -5.168 205 HG21 ILE 538 HG21 ILE 538 0.549 -2.492 -7.041 206 HG22 ILE 538 HG22 ILE 538 0.165 -1.483 -5.647 207 HG23 ILE 538 HG23 ILE 538 -0.476 -1.070 -7.237 208 HD11 ILE 538 HD11 ILE 538 -0.511 -5.278 -6.933 209 HD12 ILE 538 HD12 ILE 538 0.107 -5.679 -5.331 210 HD13 ILE 538 HD13 ILE 538 0.821 -4.349 -6.244 211 H ASN 539 HN ASN 539 -3.951 -1.850 -7.750 212 HA ASN 539 HA ASN 539 -3.110 0.566 -8.903 213 HB2 ASN 539 HB2 ASN 539 -5.436 -1.248 -9.416 214 HB3 ASN 539 HB3 ASN 539 -5.326 0.304 -10.240 215 HD21 ASN 539 HD21 ASN 539 -5.209 -2.375 -11.351 216 HD22 ASN 539 HD22 ASN 539 -3.690 -2.493 -12.165 217 H LEU 540 HN LEU 540 -5.567 -0.067 -6.511 218 HA LEU 540 HA LEU 540 -6.931 2.408 -6.817 219 HB2 LEU 540 HB2 LEU 540 -6.694 0.607 -4.417 220 HB3 LEU 540 HB1 LEU 540 -7.742 2.008 -4.500 221 HG LEU 540 HG LEU 540 -7.972 -0.568 -6.034 222 HD11 LEU 540 HD11 LEU 540 -9.877 0.899 -4.222 223 HD12 LEU 540 HD12 LEU 540 -8.863 -0.464 -3.744 224 HD13 LEU 540 HD13 LEU 540 -10.122 -0.685 -4.957 225 HD21 LEU 540 HD21 LEU 540 -9.460 2.016 -6.479 226 HD22 LEU 540 HD22 LEU 540 -9.935 0.453 -7.143 227 HD23 LEU 540 HD23 LEU 540 -8.407 1.190 -7.627 228 H GLY 541 HN GLY 541 -4.156 1.410 -4.873 229 HA2 GLY 541 HA2 GLY 541 -4.101 3.878 -3.391 230 HA3 GLY 541 HA1 GLY 541 -2.871 2.623 -3.372 231 H LEU 542 HN LEU 542 -2.376 2.553 -6.138 232 HA LEU 542 HA LEU 542 -0.181 4.168 -6.256 233 HB2 LEU 542 HB2 LEU 542 -1.797 2.921 -8.446 234 HB3 LEU 542 HB1 LEU 542 -0.328 3.804 -8.786 235 HG LEU 542 HG LEU 542 -0.443 1.421 -6.942 236 HD11 LEU 542 HD11 LEU 542 -1.064 0.736 -9.190 237 HD12 LEU 542 HD12 LEU 542 0.551 0.158 -8.786 238 HD13 LEU 542 HD13 LEU 542 0.352 1.554 -9.846 239 HD21 LEU 542 HD21 LEU 542 1.981 1.418 -7.261 240 HD22 LEU 542 HD22 LEU 542 1.425 2.927 -6.543 241 HD23 LEU 542 HD23 LEU 542 1.852 2.870 -8.253 242 HA PRO 543 HA PRO 543 -2.689 7.219 -9.326 243 HB2 PRO 543 HB2 PRO 543 -5.019 7.397 -7.431 244 HB3 PRO 543 HB3 PRO 543 -4.973 7.649 -9.190 245 HG2 PRO 543 HG2 PRO 543 -5.879 5.379 -8.255 246 HG3 PRO 543 HG3 PRO 543 -4.739 5.354 -9.616 247 HD2 PRO 543 HD2 PRO 543 -4.251 4.768 -6.725 248 HD3 PRO 543 HD3 PRO 543 -3.603 3.957 -8.165 249 H PHE 544 HN PHE 544 -2.999 7.472 -5.752 250 HA PHE 544 HA PHE 544 -2.094 10.256 -6.072 251 HB2 PHE 544 HB2 PHE 544 -3.676 9.016 -3.828 252 HB3 PHE 544 HB1 PHE 544 -3.008 10.645 -3.776 253 HD1 PHE 544 HD1 PHE 544 -5.500 8.465 -5.356 254 HD2 PHE 544 HD2 PHE 544 -3.972 12.424 -5.057 255 HE1 PHE 544 HE1 PHE 544 -7.508 9.325 -6.489 256 HE2 PHE 544 HE2 PHE 544 -5.976 13.286 -6.187 257 HZ PHE 544 HZ PHE 544 -7.716 11.713 -6.978 258 H GLY 545 HN GLY 545 -1.222 7.210 -4.806 259 HA2 GLY 545 HA2 GLY 545 1.330 8.358 -3.970 260 HA3 GLY 545 HA1 GLY 545 0.426 7.418 -2.790 261 H LYS 546 HN LYS 546 3.052 7.100 -4.391 262 HA LYS 546 HA LYS 546 2.743 4.790 -6.003 263 HB2 LYS 546 HB2 LYS 546 4.664 6.306 -6.221 264 HB3 LYS 546 HB3 LYS 546 5.205 5.859 -4.608 265 HG2 LYS 546 HG2 LYS 546 6.536 4.641 -6.130 266 HG3 LYS 546 HG3 LYS 546 5.388 3.490 -5.439 267 HD2 LYS 546 HD2 LYS 546 3.967 3.749 -7.436 268 HD3 LYS 546 HD3 LYS 546 5.164 4.843 -8.130 269 HE2 LYS 546 HE2 LYS 546 5.576 1.941 -7.423 270 HE3 LYS 546 HE3 LYS 546 5.433 2.614 -9.045 271 HZ1 LYS 546 HZ1 LYS 546 7.620 3.106 -7.100 272 HZ2 LYS 546 HZ2 LYS 546 7.457 3.927 -8.570 273 HZ3 LYS 546 HZ3 LYS 546 7.726 2.258 -8.559 274 H VAL 547 HN VAL 547 3.122 2.653 -5.562 275 HA VAL 547 HA VAL 547 2.993 1.878 -2.742 276 HB VAL 547 HB VAL 547 2.173 0.386 -5.240 277 HG11 VAL 547 HG11 VAL 547 1.307 -1.335 -3.747 278 HG12 VAL 547 HG12 VAL 547 1.953 -0.463 -2.357 279 HG13 VAL 547 HG13 VAL 547 3.050 -1.145 -3.558 280 HG21 VAL 547 HG21 VAL 547 0.533 1.546 -2.990 281 HG22 VAL 547 HG22 VAL 547 -0.093 0.622 -4.356 282 HG23 VAL 547 HG23 VAL 547 0.657 2.196 -4.625 283 H THR 548 HN THR 548 4.531 0.633 -1.857 284 HA THR 548 HA THR 548 6.769 -0.214 -3.562 285 HB THR 548 HB THR 548 7.986 -0.416 -1.355 286 HG1 THR 548 HG1 THR 548 6.792 -0.216 0.377 287 HG21 THR 548 HG21 THR 548 8.272 1.534 -2.806 288 HG22 THR 548 HG22 THR 548 8.325 1.989 -1.101 289 HG23 THR 548 HG23 THR 548 6.872 2.298 -2.051 290 H ASN 549 HN ASN 549 4.549 -1.372 -1.067 291 HA ASN 549 HA ASN 549 4.957 -4.112 -1.936 292 HB2 ASN 549 HB2 ASN 549 5.535 -3.233 0.901 293 HB3 ASN 549 HB3 ASN 549 5.257 -4.908 0.440 294 HD21 ASN 549 HD21 ASN 549 7.458 -2.374 0.702 295 HD22 ASN 549 HD22 ASN 549 8.815 -3.173 -0.022 296 H TYR 550 HN TYR 550 3.408 -5.600 -0.761 297 HA TYR 550 HA TYR 550 1.104 -4.249 0.375 298 HB2 TYR 550 HB2 TYR 550 -0.478 -5.251 -1.209 299 HB3 TYR 550 HB3 TYR 550 0.652 -4.186 -2.035 300 HD1 TYR 550 HD1 TYR 550 -0.653 -7.532 -1.792 301 HD2 TYR 550 HD2 TYR 550 2.545 -5.200 -3.350 302 HE1 TYR 550 HE1 TYR 550 -0.092 -9.350 -3.343 303 HE2 TYR 550 HE2 TYR 550 3.114 -7.015 -4.906 304 HH TYR 550 HH TYR 550 2.819 -9.372 -5.171 305 H ILE 551 HN ILE 551 -0.224 -5.566 1.587 306 HA ILE 551 HA ILE 551 0.308 -8.454 1.573 307 HB ILE 551 HB ILE 551 0.086 -6.704 4.040 308 HG12 ILE 551 HG12 ILE 551 2.145 -8.704 3.079 309 HG13 ILE 551 HG13 ILE 551 2.345 -6.959 3.190 310 HG21 ILE 551 HG21 ILE 551 -1.416 -8.589 4.341 311 HG22 ILE 551 HG22 ILE 551 0.010 -8.778 5.362 312 HG23 ILE 551 HG23 ILE 551 -0.138 -9.711 3.874 313 HD11 ILE 551 HD11 ILE 551 2.023 -8.877 5.484 314 HD12 ILE 551 HD12 ILE 551 2.134 -7.125 5.638 315 HD13 ILE 551 HD13 ILE 551 3.498 -8.042 5.000 316 H LEU 552 HN LEU 552 -1.517 -9.520 1.186 317 HA LEU 552 HA LEU 552 -4.040 -8.041 1.497 318 HB2 LEU 552 HB2 LEU 552 -3.222 -10.132 -0.515 319 HB3 LEU 552 HB1 LEU 552 -4.851 -9.495 -0.370 320 HG LEU 552 HG LEU 552 -2.455 -7.760 -0.954 321 HD11 LEU 552 HD11 LEU 552 -4.446 -8.962 -2.878 322 HD12 LEU 552 HD12 LEU 552 -2.738 -9.386 -2.758 323 HD13 LEU 552 HD13 LEU 552 -3.211 -7.770 -3.282 324 HD21 LEU 552 HD21 LEU 552 -4.364 -6.619 0.006 325 HD22 LEU 552 HD22 LEU 552 -5.412 -7.305 -1.235 326 HD23 LEU 552 HD23 LEU 552 -4.140 -6.168 -1.682 327 H MET 553 HN MET 553 -5.041 -8.750 3.285 328 HA MET 553 HA MET 553 -5.333 -11.667 3.572 329 HB2 MET 553 HB2 MET 553 -5.761 -9.463 5.609 330 HB3 MET 553 HB3 MET 553 -6.023 -11.176 5.906 331 HG2 MET 553 HG2 MET 553 -3.693 -11.649 5.605 332 HG3 MET 553 HG3 MET 553 -3.379 -9.995 5.088 333 HE1 MET 553 HE1 MET 553 -1.373 -9.841 6.804 334 HE2 MET 553 HE2 MET 553 -1.685 -11.495 7.326 335 HE3 MET 553 HE3 MET 553 -1.521 -10.210 8.522 336 H LYS 554 HN LYS 554 -6.900 -11.801 1.954 337 HA LYS 554 HA LYS 554 -9.076 -9.981 1.778 338 HB2 LYS 554 HB2 LYS 554 -8.899 -12.698 0.479 339 HB3 LYS 554 HB3 LYS 554 -9.843 -11.315 -0.056 340 HG2 LYS 554 HG2 LYS 554 -7.634 -10.105 -0.360 341 HG3 LYS 554 HG3 LYS 554 -6.863 -11.677 -0.148 342 HD2 LYS 554 HD2 LYS 554 -8.343 -12.514 -2.014 343 HD3 LYS 554 HD3 LYS 554 -8.787 -10.834 -2.304 344 HE2 LYS 554 HE2 LYS 554 -7.040 -11.328 -3.823 345 HE3 LYS 554 HE3 LYS 554 -6.321 -10.350 -2.543 346 HZ1 LYS 554 HZ1 LYS 554 -6.177 -13.314 -2.711 347 HZ2 LYS 554 HZ2 LYS 554 -5.432 -12.346 -1.544 348 HZ3 LYS 554 HZ3 LYS 554 -4.933 -12.256 -3.155 349 H SER 555 HN SER 555 -8.580 -13.048 3.322 350 HA SER 555 HA SER 555 -11.278 -13.761 3.702 351 HB2 SER 555 HB2 SER 555 -10.373 -15.278 5.461 352 HB3 SER 555 HB3 SER 555 -9.521 -15.405 3.923 353 HG SER 555 HG SER 555 -8.012 -15.297 5.563 354 H THR 556 HN THR 556 -9.267 -11.447 5.294 355 HA THR 556 HA THR 556 -11.165 -11.235 7.509 356 HB THR 556 HB THR 556 -9.536 -9.661 8.518 357 HG1 THR 556 HG1 THR 556 -8.470 -9.707 6.053 358 HG21 THR 556 HG21 THR 556 -7.820 -11.349 9.039 359 HG22 THR 556 HG22 THR 556 -8.434 -12.352 7.726 360 HG23 THR 556 HG23 THR 556 -9.453 -12.005 9.120 361 H ASN 557 HN ASN 557 -11.254 -10.201 4.544 362 HA ASN 557 HA ASN 557 -12.133 -8.438 3.394 363 HB2 ASN 557 HB2 ASN 557 -13.946 -8.917 5.143 364 HB3 ASN 557 HB3 ASN 557 -13.304 -7.546 6.033 365 HD21 ASN 557 HD21 ASN 557 -15.044 -8.584 3.261 366 HD22 ASN 557 HD22 ASN 557 -15.647 -7.038 2.784 367 H GLN 558 HN GLN 558 -9.522 -8.086 4.184 368 HA GLN 558 HA GLN 558 -9.341 -5.202 4.561 369 HB2 GLN 558 HB2 GLN 558 -7.973 -7.212 6.366 370 HB3 GLN 558 HB3 GLN 558 -7.562 -5.506 6.302 371 HG2 GLN 558 HG2 GLN 558 -10.342 -6.419 6.935 372 HG3 GLN 558 HG3 GLN 558 -9.091 -6.311 8.175 373 HE21 GLN 558 HE21 GLN 558 -10.135 -4.718 9.286 374 HE22 GLN 558 HE22 GLN 558 -10.262 -3.091 8.715 375 H ALA 559 HN ALA 559 -7.456 -4.321 3.721 376 HA ALA 559 HA ALA 559 -5.411 -6.168 2.728 377 HB1 ALA 559 HB1 ALA 559 -5.257 -4.995 0.604 378 HB2 ALA 559 HB2 ALA 559 -6.589 -3.939 1.074 379 HB3 ALA 559 HB3 ALA 559 -6.877 -5.661 0.824 380 H PHE 560 HN PHE 560 -3.342 -5.348 2.775 381 HA PHE 560 HA PHE 560 -3.086 -2.639 3.888 382 HB2 PHE 560 HB2 PHE 560 -1.245 -4.993 4.374 383 HB3 PHE 560 HB1 PHE 560 -1.108 -3.392 5.095 384 HD1 PHE 560 HD1 PHE 560 -2.405 -6.659 5.483 385 HD2 PHE 560 HD2 PHE 560 -3.128 -2.589 6.502 386 HE1 PHE 560 HE1 PHE 560 -3.861 -7.383 7.330 387 HE2 PHE 560 HE2 PHE 560 -4.578 -3.307 8.356 388 HZ PHE 560 HZ PHE 560 -4.947 -5.706 8.769 389 H LEU 561 HN LEU 561 -1.970 -1.265 2.713 390 HA LEU 561 HA LEU 561 -0.292 -2.311 0.530 391 HB2 LEU 561 HB2 LEU 561 -2.626 -1.404 -0.048 392 HB3 LEU 561 HB1 LEU 561 -1.990 0.169 0.376 393 HG LEU 561 HG LEU 561 -0.313 -0.025 -1.414 394 HD11 LEU 561 HD11 LEU 561 -0.054 -2.431 -1.464 395 HD12 LEU 561 HD12 LEU 561 -0.528 -1.842 -3.056 396 HD13 LEU 561 HD13 LEU 561 -1.718 -2.624 -2.014 397 HD21 LEU 561 HD21 LEU 561 -2.450 1.048 -1.881 398 HD22 LEU 561 HD22 LEU 561 -3.153 -0.513 -2.308 399 HD23 LEU 561 HD23 LEU 561 -1.868 0.176 -3.297 400 H GLU 562 HN GLU 562 1.709 -1.385 0.387 401 HA GLU 562 HA GLU 562 2.322 0.659 2.404 402 HB2 GLU 562 HB2 GLU 562 3.603 -1.488 2.434 403 HB3 GLU 562 HB3 GLU 562 4.232 -1.084 0.841 404 HG2 GLU 562 HG2 GLU 562 5.285 0.916 1.766 405 HG3 GLU 562 HG3 GLU 562 4.661 0.505 3.363 406 H MET 563 HN MET 563 3.069 2.610 1.875 407 HA MET 563 HA MET 563 3.271 3.206 -0.995 408 HB2 MET 563 HB2 MET 563 2.361 4.869 1.332 409 HB3 MET 563 HB3 MET 563 2.794 5.591 -0.211 410 HG2 MET 563 HG2 MET 563 0.437 5.314 -0.148 411 HG3 MET 563 HG3 MET 563 1.094 4.154 -1.296 412 HE1 MET 563 HE1 MET 563 -0.930 2.579 -1.409 413 HE2 MET 563 HE2 MET 563 -1.818 3.765 -0.448 414 HE3 MET 563 HE3 MET 563 -1.858 2.060 -0.003 415 H ALA 564 HN ALA 564 4.904 4.319 -1.790 416 HA ALA 564 HA ALA 564 7.429 3.940 -0.659 417 HB1 ALA 564 HB1 ALA 564 6.644 5.790 -2.906 418 HB2 ALA 564 HB2 ALA 564 7.023 4.076 -3.069 419 HB3 ALA 564 HB3 ALA 564 8.273 5.210 -2.558 420 H TYR 565 HN TYR 565 5.386 6.811 -0.799 421 HA TYR 565 HA TYR 565 7.433 8.218 0.771 422 HB2 TYR 565 HB2 TYR 565 5.347 9.453 -1.037 423 HB3 TYR 565 HB3 TYR 565 6.634 10.302 -0.187 424 HD1 TYR 565 HD1 TYR 565 5.727 8.453 -3.145 425 HD2 TYR 565 HD2 TYR 565 9.023 9.886 -0.868 426 HE1 TYR 565 HE1 TYR 565 7.199 8.141 -5.089 427 HE2 TYR 565 HE2 TYR 565 10.501 9.582 -2.809 428 HH TYR 565 HH TYR 565 9.362 9.084 -5.926 429 H THR 566 HN THR 566 6.803 9.402 2.542 430 HA THR 566 HA THR 566 4.602 8.539 4.022 431 HB THR 566 HB THR 566 6.476 9.578 5.133 432 HG1 THR 566 HG1 THR 566 5.311 10.745 6.583 433 HG21 THR 566 HG21 THR 566 6.907 11.993 4.995 434 HG22 THR 566 HG22 THR 566 5.669 12.137 3.748 435 HG23 THR 566 HG23 THR 566 7.129 11.201 3.435 436 H GLU 567 HN GLU 567 4.968 11.330 1.893 437 HA GLU 567 HA GLU 567 2.410 12.441 2.360 438 HB2 GLU 567 HB2 GLU 567 2.812 13.664 0.230 439 HB3 GLU 567 HB3 GLU 567 4.126 13.812 1.387 440 HG2 GLU 567 HG2 GLU 567 5.445 12.209 0.174 441 HG3 GLU 567 HG3 GLU 567 4.105 11.891 -0.927 442 H ALA 568 HN ALA 568 3.565 9.928 0.267 443 HA ALA 568 HA ALA 568 1.469 9.943 -1.600 444 HB1 ALA 568 HB1 ALA 568 2.235 7.646 -2.129 445 HB2 ALA 568 HB2 ALA 568 3.274 7.692 -0.706 446 HB3 ALA 568 HB3 ALA 568 3.558 8.805 -2.044 447 H ALA 569 HN ALA 569 1.932 8.106 1.402 448 HA ALA 569 HA ALA 569 -0.463 6.608 1.171 449 HB1 ALA 569 HB1 ALA 569 1.511 6.018 2.594 450 HB2 ALA 569 HB2 ALA 569 -0.047 5.885 3.398 451 HB3 ALA 569 HB3 ALA 569 0.995 7.269 3.719 452 H GLN 570 HN GLN 570 0.360 9.558 2.959 453 HA GLN 570 HA GLN 570 -2.148 9.720 4.280 454 HB2 GLN 570 HB2 GLN 570 -0.025 11.822 3.832 455 HB3 GLN 570 HB3 GLN 570 -1.403 12.001 4.910 456 HG2 GLN 570 HG2 GLN 570 -0.620 10.134 6.252 457 HG3 GLN 570 HG3 GLN 570 0.745 9.910 5.159 458 HE21 GLN 570 HE21 GLN 570 2.430 11.375 5.183 459 HE22 GLN 570 HE22 GLN 570 2.660 12.494 6.479 460 H ALA 571 HN ALA 571 -0.808 11.349 1.424 461 HA ALA 571 HA ALA 571 -2.916 13.165 1.044 462 HB1 ALA 571 HB1 ALA 571 -1.021 12.010 -0.998 463 HB2 ALA 571 HB2 ALA 571 -0.751 13.455 -0.021 464 HB3 ALA 571 HB3 ALA 571 -2.037 13.434 -1.229 465 H MET 572 HN MET 572 -2.370 9.923 -0.290 466 HA MET 572 HA MET 572 -4.582 9.961 -2.035 467 HB2 MET 572 HB2 MET 572 -4.227 7.670 -2.373 468 HB3 MET 572 HB3 MET 572 -2.635 8.319 -2.036 469 HG2 MET 572 HG2 MET 572 -2.634 7.416 0.153 470 HG3 MET 572 HG3 MET 572 -4.344 7.000 0.050 471 HE1 MET 572 HE1 MET 572 -0.779 6.334 -1.275 472 HE2 MET 572 HE2 MET 572 -1.643 6.504 -2.803 473 HE3 MET 572 HE3 MET 572 -0.992 4.935 -2.328 474 H VAL 573 HN VAL 573 -4.237 8.878 1.310 475 HA VAL 573 HA VAL 573 -6.808 7.728 1.454 476 HB VAL 573 HB VAL 573 -4.938 8.598 3.647 477 HG11 VAL 573 HG11 VAL 573 -7.592 7.195 3.741 478 HG12 VAL 573 HG12 VAL 573 -7.092 8.638 4.626 479 HG13 VAL 573 HG13 VAL 573 -6.408 7.066 5.039 480 HG21 VAL 573 HG21 VAL 573 -5.637 5.924 2.444 481 HG22 VAL 573 HG22 VAL 573 -4.603 6.157 3.854 482 HG23 VAL 573 HG23 VAL 573 -4.103 6.783 2.281 483 H GLN 574 HN GLN 574 -5.604 10.964 2.232 484 HA GLN 574 HA GLN 574 -7.945 11.876 3.490 485 HB2 GLN 574 HB2 GLN 574 -6.015 13.474 1.798 486 HB3 GLN 574 HB3 GLN 574 -7.206 14.146 2.902 487 HG2 GLN 574 HG2 GLN 574 -4.727 12.591 3.556 488 HG3 GLN 574 HG3 GLN 574 -5.150 14.235 4.029 489 HE21 GLN 574 HE21 GLN 574 -5.547 10.875 4.687 490 HE22 GLN 574 HE22 GLN 574 -6.377 11.043 6.193 491 H TYR 575 HN TYR 575 -7.018 11.642 0.113 492 HA TYR 575 HA TYR 575 -9.405 12.742 -0.939 493 HB2 TYR 575 HB2 TYR 575 -7.427 12.508 -2.340 494 HB3 TYR 575 HB3 TYR 575 -7.476 10.758 -2.153 495 HD1 TYR 575 HD1 TYR 575 -9.198 13.657 -3.655 496 HD2 TYR 575 HD2 TYR 575 -8.928 9.418 -3.483 497 HE1 TYR 575 HE1 TYR 575 -10.649 13.488 -5.633 498 HE2 TYR 575 HE2 TYR 575 -10.374 9.237 -5.459 499 HH TYR 575 HH TYR 575 -11.117 11.887 -7.439 500 H TYR 576 HN TYR 576 -8.424 9.380 -0.243 501 HA TYR 576 HA TYR 576 -10.861 8.330 -1.300 502 HB2 TYR 576 HB2 TYR 576 -8.738 6.994 0.370 503 HB3 TYR 576 HB3 TYR 576 -10.090 6.163 -0.397 504 HD1 TYR 576 HD1 TYR 576 -6.798 6.412 -0.716 505 HD2 TYR 576 HD2 TYR 576 -10.255 7.281 -3.030 506 HE1 TYR 576 HE1 TYR 576 -5.469 6.197 -2.760 507 HE2 TYR 576 HE2 TYR 576 -8.939 7.070 -5.090 508 HH TYR 576 HH TYR 576 -5.936 5.660 -5.223 509 H GLN 577 HN GLN 577 -10.032 9.546 1.809 510 HA GLN 577 HA GLN 577 -12.100 8.126 3.181 511 HB2 GLN 577 HB2 GLN 577 -10.437 10.536 3.870 512 HB3 GLN 577 HB3 GLN 577 -11.765 10.016 4.905 513 HG2 GLN 577 HG2 GLN 577 -9.382 8.358 4.114 514 HG3 GLN 577 HG3 GLN 577 -9.603 9.175 5.658 515 HE21 GLN 577 HE21 GLN 577 -10.555 6.515 3.663 516 HE22 GLN 577 HE22 GLN 577 -11.435 5.658 4.873 517 H GLU 578 HN GLU 578 -11.928 11.041 1.308 518 HA GLU 578 HA GLU 578 -14.692 11.715 2.003 519 HB2 GLU 578 HB2 GLU 578 -12.650 13.237 0.373 520 HB3 GLU 578 HB3 GLU 578 -14.278 13.800 0.729 521 HG2 GLU 578 HG2 GLU 578 -12.105 13.265 2.746 522 HG3 GLU 578 HG3 GLU 578 -12.636 14.848 2.183 523 H LYS 579 HN LYS 579 -12.630 10.883 -0.724 524 HA LYS 579 HA LYS 579 -15.034 10.063 -2.216 525 HB2 LYS 579 HB2 LYS 579 -12.565 11.443 -3.272 526 HB3 LYS 579 HB3 LYS 579 -13.720 10.616 -4.305 527 HG2 LYS 579 HG2 LYS 579 -15.486 12.130 -3.486 528 HG3 LYS 579 HG3 LYS 579 -14.271 12.990 -2.542 529 HD2 LYS 579 HD2 LYS 579 -14.753 14.125 -4.668 530 HD3 LYS 579 HD3 LYS 579 -13.077 13.585 -4.575 531 HE2 LYS 579 HE2 LYS 579 -14.073 13.153 -6.781 532 HE3 LYS 579 HE3 LYS 579 -13.581 11.669 -5.970 533 HZ1 LYS 579 HZ1 LYS 579 -16.353 12.729 -6.104 534 HZ2 LYS 579 HZ2 LYS 579 -15.886 11.307 -5.326 535 HZ3 LYS 579 HZ3 LYS 579 -15.748 11.433 -7.005 536 HA PRO 580 HA PRO 580 -12.251 6.487 -1.468 537 HB2 PRO 580 HB2 PRO 580 -14.817 5.048 -1.319 538 HB3 PRO 580 HB3 PRO 580 -13.512 5.155 -0.126 539 HG2 PRO 580 HG2 PRO 580 -15.843 6.403 0.290 540 HG3 PRO 580 HG3 PRO 580 -14.304 7.167 0.755 541 HD2 PRO 580 HD2 PRO 580 -15.951 7.618 -1.722 542 HD3 PRO 580 HD3 PRO 580 -15.260 8.815 -0.599 543 H ALA 581 HN ALA 581 -11.968 4.455 -2.634 544 HA ALA 581 HA ALA 581 -12.571 4.897 -5.456 545 HB1 ALA 581 HB1 ALA 581 -10.666 2.889 -4.259 546 HB2 ALA 581 HB2 ALA 581 -10.222 4.547 -4.670 547 HB3 ALA 581 HB3 ALA 581 -10.743 3.435 -5.934 548 H ILE 582 HN ILE 582 -13.196 3.091 -6.834 549 HA ILE 582 HA ILE 582 -15.105 1.403 -5.357 550 HB ILE 582 HB ILE 582 -15.364 2.630 -8.102 551 HG12 ILE 582 HG12 ILE 582 -16.868 3.093 -5.522 552 HG13 ILE 582 HG13 ILE 582 -15.705 4.189 -6.239 553 HG21 ILE 582 HG21 ILE 582 -16.374 0.416 -8.088 554 HG22 ILE 582 HG22 ILE 582 -17.620 1.664 -8.143 555 HG23 ILE 582 HG23 ILE 582 -17.279 0.822 -6.630 556 HD11 ILE 582 HD11 ILE 582 -18.316 3.386 -7.490 557 HD12 ILE 582 HD12 ILE 582 -17.168 4.569 -8.118 558 HD13 ILE 582 HD13 ILE 582 -18.022 4.883 -6.607 559 H ILE 583 HN ILE 583 -14.900 -0.704 -5.490 560 HA ILE 583 HA ILE 583 -13.813 -1.886 -7.956 561 HB ILE 583 HB ILE 583 -13.426 -2.843 -5.125 562 HG12 ILE 583 HG12 ILE 583 -11.535 -2.104 -7.360 563 HG13 ILE 583 HG13 ILE 583 -11.743 -1.285 -5.817 564 HG21 ILE 583 HG21 ILE 583 -12.909 -4.386 -7.660 565 HG22 ILE 583 HG22 ILE 583 -14.119 -4.755 -6.428 566 HG23 ILE 583 HG23 ILE 583 -12.400 -4.874 -6.041 567 HD11 ILE 583 HD11 ILE 583 -10.799 -3.213 -4.659 568 HD12 ILE 583 HD12 ILE 583 -9.684 -2.598 -5.877 569 HD13 ILE 583 HD13 ILE 583 -10.622 -4.056 -6.197 570 H ASN 584 HN ASN 584 -15.126 -3.224 -8.993 571 HA ASN 584 HA ASN 584 -16.918 -4.511 -9.543 572 HB2 ASN 584 HB2 ASN 584 -16.848 -5.249 -6.609 573 HB3 ASN 584 HB3 ASN 584 -17.783 -6.090 -7.835 574 HD21 ASN 584 HD21 ASN 584 -15.641 -5.852 -9.847 575 HD22 ASN 584 HD22 ASN 584 -14.429 -6.985 -9.371 576 H GLY 585 HN GLY 585 -17.382 -1.774 -8.837 577 HA2 GLY 585 HA2 GLY 585 -19.263 -0.438 -8.792 578 HA3 GLY 585 HA1 GLY 585 -20.240 -1.884 -8.604 579 H GLU 586 HN GLU 586 -17.795 -1.803 -6.280 580 HA GLU 586 HA GLU 586 -19.647 -0.645 -4.328 581 HB2 GLU 586 HB2 GLU 586 -19.594 -2.805 -3.620 582 HB3 GLU 586 HB3 GLU 586 -18.041 -3.128 -4.386 583 HG2 GLU 586 HG2 GLU 586 -16.849 -2.330 -2.612 584 HG3 GLU 586 HG3 GLU 586 -18.199 -1.396 -1.965 585 H LYS 587 HN LYS 587 -18.932 1.002 -3.139 586 HA LYS 587 HA LYS 587 -16.346 2.126 -3.633 587 HB2 LYS 587 HB2 LYS 587 -18.522 2.892 -1.680 588 HB3 LYS 587 HB3 LYS 587 -17.055 3.824 -1.941 589 HG2 LYS 587 HG2 LYS 587 -17.684 4.313 -4.195 590 HG3 LYS 587 HG3 LYS 587 -19.051 3.203 -4.105 591 HD2 LYS 587 HD2 LYS 587 -19.795 5.512 -3.880 592 HD3 LYS 587 HD3 LYS 587 -20.080 4.616 -2.389 593 HE2 LYS 587 HE2 LYS 587 -18.031 5.584 -1.434 594 HE3 LYS 587 HE3 LYS 587 -17.782 6.500 -2.920 595 HZ1 LYS 587 HZ1 LYS 587 -18.819 7.868 -1.244 596 HZ2 LYS 587 HZ2 LYS 587 -20.087 6.766 -1.065 597 HZ3 LYS 587 HZ3 LYS 587 -19.902 7.617 -2.516 598 H LEU 588 HN LEU 588 -14.543 1.561 -2.663 599 HA LEU 588 HA LEU 588 -14.627 0.082 -0.143 600 HB2 LEU 588 HB2 LEU 588 -12.237 0.796 -1.829 601 HB3 LEU 588 HB1 LEU 588 -12.298 -0.370 -0.525 602 HG LEU 588 HG LEU 588 -13.600 -0.626 -3.227 603 HD11 LEU 588 HD11 LEU 588 -11.246 -0.954 -3.312 604 HD12 LEU 588 HD12 LEU 588 -12.013 -2.542 -3.364 605 HD13 LEU 588 HD13 LEU 588 -11.277 -1.962 -1.869 606 HD21 LEU 588 HD21 LEU 588 -14.255 -2.865 -2.505 607 HD22 LEU 588 HD22 LEU 588 -15.010 -1.631 -1.496 608 HD23 LEU 588 HD23 LEU 588 -13.623 -2.537 -0.890 609 H LEU 589 HN LEU 589 -13.965 0.943 1.754 610 HA LEU 589 HA LEU 589 -13.208 3.734 1.766 611 HB2 LEU 589 HB2 LEU 589 -14.772 2.695 3.448 612 HB3 LEU 589 HB1 LEU 589 -13.395 1.828 4.099 613 HG LEU 589 HG LEU 589 -12.317 3.991 4.643 614 HD11 LEU 589 HD11 LEU 589 -13.344 5.399 2.969 615 HD12 LEU 589 HD12 LEU 589 -13.700 6.034 4.574 616 HD13 LEU 589 HD13 LEU 589 -14.935 5.142 3.684 617 HD21 LEU 589 HD21 LEU 589 -13.623 2.806 6.322 618 HD22 LEU 589 HD22 LEU 589 -15.088 3.617 5.771 619 HD23 LEU 589 HD23 LEU 589 -13.790 4.551 6.512 620 H ILE 590 HN ILE 590 -11.184 4.172 1.235 621 HA ILE 590 HA ILE 590 -9.021 2.360 2.036 622 HB ILE 590 HB ILE 590 -8.916 4.802 0.248 623 HG12 ILE 590 HG12 ILE 590 -9.024 1.877 -0.487 624 HG13 ILE 590 HG13 ILE 590 -10.252 3.087 -0.810 625 HG21 ILE 590 HG21 ILE 590 -6.719 3.933 -0.440 626 HG22 ILE 590 HG22 ILE 590 -6.861 2.672 0.784 627 HG23 ILE 590 HG23 ILE 590 -6.780 4.364 1.267 628 HD11 ILE 590 HD11 ILE 590 -7.481 3.040 -1.994 629 HD12 ILE 590 HD12 ILE 590 -8.716 4.256 -2.315 630 HD13 ILE 590 HD13 ILE 590 -8.973 2.586 -2.815 631 H ARG 591 HN ARG 591 -7.993 2.801 3.896 632 HA ARG 591 HA ARG 591 -7.778 5.589 4.759 633 HB2 ARG 591 HB2 ARG 591 -8.489 4.740 7.115 634 HB3 ARG 591 HB3 ARG 591 -9.706 5.173 5.925 635 HG2 ARG 591 HG2 ARG 591 -9.935 2.784 5.344 636 HG3 ARG 591 HG3 ARG 591 -8.790 2.396 6.632 637 HD2 ARG 591 HD2 ARG 591 -10.267 3.308 8.291 638 HD3 ARG 591 HD3 ARG 591 -11.364 3.904 7.052 639 HE ARG 591 HE ARG 591 -11.186 1.165 6.686 640 HH11 ARG 591 HH11 ARG 591 -12.210 3.352 9.219 641 HH12 ARG 591 HH12 ARG 591 -13.422 2.278 9.838 642 HH21 ARG 591 HH21 ARG 591 -12.797 -0.256 7.493 643 HH22 ARG 591 HH22 ARG 591 -13.760 0.229 8.852 644 H MET 592 HN MET 592 -6.411 5.911 6.657 645 HA MET 592 HA MET 592 -3.876 4.778 6.172 646 HB2 MET 592 HB2 MET 592 -4.798 6.331 8.604 647 HB3 MET 592 HB3 MET 592 -3.135 6.098 8.095 648 HG2 MET 592 HG2 MET 592 -4.882 7.357 6.087 649 HG3 MET 592 HG3 MET 592 -4.626 8.286 7.560 650 HE1 MET 592 HE1 MET 592 -1.995 5.757 6.104 651 HE2 MET 592 HE2 MET 592 -1.072 6.787 5.009 652 HE3 MET 592 HE3 MET 592 -2.745 6.378 4.634 653 H SER 593 HN SER 593 -2.793 3.101 7.134 654 HA SER 593 HA SER 593 -4.308 1.463 8.999 655 HB2 SER 593 HB2 SER 593 -3.087 0.439 7.053 656 HB3 SER 593 HB3 SER 593 -1.575 0.896 7.835 657 HG SER 593 HG SER 593 -3.566 -0.728 9.050 658 H THR 594 HN THR 594 -4.016 1.471 11.107 659 HA THR 594 HA THR 594 -1.688 2.836 12.230 660 HB THR 594 HB THR 594 -4.074 1.767 13.748 661 HG1 THR 594 HG1 THR 594 -4.659 4.155 13.577 662 HG21 THR 594 HG21 THR 594 -2.105 3.980 14.352 663 HG22 THR 594 HG22 THR 594 -2.110 2.377 15.088 664 HG23 THR 594 HG23 THR 594 -3.450 3.487 15.379 665 H ARG 595 HN ARG 595 -3.004 -0.266 11.653 666 HA ARG 595 HA ARG 595 -1.719 -1.659 13.792 667 HB2 ARG 595 HB2 ARG 595 -2.968 -2.659 11.228 668 HB3 ARG 595 HB3 ARG 595 -2.373 -3.703 12.512 669 HG2 ARG 595 HG2 ARG 595 -3.986 -2.722 14.062 670 HG3 ARG 595 HG3 ARG 595 -4.581 -1.672 12.775 671 HD2 ARG 595 HD2 ARG 595 -5.247 -3.650 11.484 672 HD3 ARG 595 HD3 ARG 595 -4.666 -4.689 12.786 673 HE ARG 595 HE ARG 595 -6.527 -2.835 13.808 674 HH11 ARG 595 HH11 ARG 595 -6.390 -5.701 11.808 675 HH12 ARG 595 HH12 ARG 595 -7.991 -6.221 12.221 676 HH21 ARG 595 HH21 ARG 595 -8.632 -3.516 14.364 677 HH22 ARG 595 HH22 ARG 595 -9.273 -4.970 13.664 678 H TYR 596 HN TYR 596 -0.920 -0.948 10.442 679 HA TYR 596 HA TYR 596 1.749 -2.088 10.945 680 HB2 TYR 596 HB2 TYR 596 0.215 -1.922 8.348 681 HB3 TYR 596 HB3 TYR 596 1.926 -2.317 8.442 682 HD1 TYR 596 HD1 TYR 596 2.659 -4.452 9.314 683 HD2 TYR 596 HD2 TYR 596 -1.480 -3.528 9.035 684 HE1 TYR 596 HE1 TYR 596 2.119 -6.829 9.606 685 HE2 TYR 596 HE2 TYR 596 -2.033 -5.906 9.327 686 HH TYR 596 HH TYR 596 0.146 -8.167 10.455 687 H LYS 597 HN LYS 597 3.423 -0.763 10.773 688 HA LYS 597 HA LYS 597 3.005 1.974 9.869 689 HB2 LYS 597 HB2 LYS 597 5.453 0.637 11.042 690 HB3 LYS 597 HB3 LYS 597 5.304 2.351 10.689 691 HG2 LYS 597 HG2 LYS 597 3.668 0.815 12.698 692 HG3 LYS 597 HG3 LYS 597 5.012 1.897 13.061 693 HD2 LYS 597 HD2 LYS 597 2.417 2.688 11.734 694 HD3 LYS 597 HD3 LYS 597 2.848 2.991 13.417 695 HE2 LYS 597 HE2 LYS 597 4.754 4.354 12.663 696 HE3 LYS 597 HE3 LYS 597 4.270 4.079 10.991 697 HZ1 LYS 597 HZ1 LYS 597 2.156 5.172 11.489 698 HZ2 LYS 597 HZ2 LYS 597 3.471 6.201 11.744 699 HZ3 LYS 597 HZ3 LYS 597 2.686 5.493 13.062 700 H GLU 598 HN GLU 598 4.809 -0.914 9.083 701 HA GLU 598 HA GLU 598 5.064 -0.040 6.321 702 HB2 GLU 598 HB2 GLU 598 7.465 -0.659 6.262 703 HB3 GLU 598 HB3 GLU 598 7.155 0.727 7.300 704 HG2 GLU 598 HG2 GLU 598 7.212 -0.780 9.259 705 HG3 GLU 598 HG3 GLU 598 7.641 -2.109 8.184 706 H LEU 599 HN LEU 599 5.358 -1.813 4.876 707 HA LEU 599 HA LEU 599 4.460 -4.339 6.051 708 HB2 LEU 599 HB2 LEU 599 4.566 -3.425 3.182 709 HB3 LEU 599 HB1 LEU 599 4.077 -5.029 3.695 710 HG LEU 599 HG LEU 599 2.658 -2.471 4.452 711 HD11 LEU 599 HD11 LEU 599 0.926 -3.194 2.938 712 HD12 LEU 599 HD12 LEU 599 1.863 -4.625 2.513 713 HD13 LEU 599 HD13 LEU 599 2.450 -3.022 2.065 714 HD21 LEU 599 HD21 LEU 599 0.917 -3.931 5.286 715 HD22 LEU 599 HD22 LEU 599 2.438 -4.270 6.116 716 HD23 LEU 599 HD23 LEU 599 1.865 -5.347 4.839 717 H GLN 600 HN GLN 600 6.074 -5.509 6.737 718 HA GLN 600 HA GLN 600 8.559 -5.586 5.202 719 HB2 GLN 600 HB2 GLN 600 7.969 -6.569 8.003 720 HB3 GLN 600 HB3 GLN 600 9.545 -6.596 7.221 721 HG2 GLN 600 HG2 GLN 600 9.468 -4.137 7.050 722 HG3 GLN 600 HG3 GLN 600 7.937 -4.151 7.921 723 HE21 GLN 600 HE21 GLN 600 10.463 -2.889 8.603 724 HE22 GLN 600 HE22 GLN 600 10.910 -3.525 10.150 725 H LEU 601 HN LEU 601 7.951 -6.920 3.553 726 HA LEU 601 HA LEU 601 6.598 -9.380 3.874 727 HB2 LEU 601 HB2 LEU 601 8.441 -8.478 1.654 728 HB3 LEU 601 HB1 LEU 601 7.362 -9.857 1.578 729 HG LEU 601 HG LEU 601 6.545 -6.958 1.776 730 HD11 LEU 601 HD11 LEU 601 5.619 -7.343 -0.459 731 HD12 LEU 601 HD12 LEU 601 6.285 -8.975 -0.449 732 HD13 LEU 601 HD13 LEU 601 7.365 -7.582 -0.422 733 HD21 LEU 601 HD21 LEU 601 4.839 -9.441 1.622 734 HD22 LEU 601 HD22 LEU 601 4.254 -7.780 1.529 735 HD23 LEU 601 HD23 LEU 601 4.994 -8.371 3.016 736 H LYS 602 HN LYS 602 7.499 -11.511 3.469 737 HA LYS 602 HA LYS 602 9.885 -11.844 5.084 738 HB2 LYS 602 HB2 LYS 602 7.696 -13.660 4.155 739 HB3 LYS 602 HB3 LYS 602 9.209 -14.350 4.726 740 HG2 LYS 602 HG2 LYS 602 7.483 -14.222 6.480 741 HG3 LYS 602 HG3 LYS 602 8.932 -13.305 6.880 742 HD2 LYS 602 HD2 LYS 602 7.766 -11.249 6.076 743 HD3 LYS 602 HD3 LYS 602 6.303 -12.215 5.876 744 HE2 LYS 602 HE2 LYS 602 6.193 -12.665 8.214 745 HE3 LYS 602 HE3 LYS 602 7.788 -11.966 8.485 746 HZ1 LYS 602 HZ1 LYS 602 6.111 -10.411 9.157 747 HZ2 LYS 602 HZ2 LYS 602 5.333 -10.512 7.661 748 HZ3 LYS 602 HZ3 LYS 602 6.867 -9.808 7.769 749 H LYS 603 HN LYS 603 10.112 -10.767 2.453 750 HA LYS 603 HA LYS 603 11.745 -12.794 1.099 751 HB2 LYS 603 HB2 LYS 603 10.832 -10.073 0.128 752 HB3 LYS 603 HB3 LYS 603 11.707 -11.264 -0.819 753 HG2 LYS 603 HG2 LYS 603 8.947 -11.671 0.315 754 HG3 LYS 603 HG3 LYS 603 9.294 -11.160 -1.337 755 HD2 LYS 603 HD2 LYS 603 10.217 -13.748 -0.086 756 HD3 LYS 603 HD3 LYS 603 8.831 -13.579 -1.163 757 HE2 LYS 603 HE2 LYS 603 10.333 -12.747 -2.926 758 HE3 LYS 603 HE3 LYS 603 11.707 -12.982 -1.851 759 HZ1 LYS 603 HZ1 LYS 603 11.139 -15.355 -1.771 760 HZ2 LYS 603 HZ2 LYS 603 11.519 -14.835 -3.332 761 HZ3 LYS 603 HZ3 LYS 603 9.904 -15.092 -2.898 762 HA PRO 604 HA PRO 604 15.064 -10.916 3.395 763 HB2 PRO 604 HB2 PRO 604 17.096 -12.101 1.937 764 HB3 PRO 604 HB3 PRO 604 16.255 -12.844 3.300 765 HG2 PRO 604 HG2 PRO 604 15.798 -13.201 0.369 766 HG3 PRO 604 HG3 PRO 604 15.769 -14.411 1.666 767 HD2 PRO 604 HD2 PRO 604 13.505 -13.446 0.623 768 HD3 PRO 604 HD3 PRO 604 13.639 -13.800 2.358 769 H GLY 605 HN GLY 605 15.218 -10.990 -0.157 770 HA2 GLY 605 HA2 GLY 605 15.894 -9.409 -1.673 771 HA3 GLY 605 HA1 GLY 605 15.590 -8.218 -0.417 772 H LYS 606 HN LYS 606 17.254 -7.087 0.233 773 HA LYS 606 HA LYS 606 19.330 -6.412 0.809 774 HB2 LYS 606 HB2 LYS 606 20.112 -9.322 0.574 775 HB3 LYS 606 HB3 LYS 606 21.097 -8.051 1.282 776 HG2 LYS 606 HG2 LYS 606 18.432 -8.997 2.322 777 HG3 LYS 606 HG3 LYS 606 20.012 -9.404 2.992 778 HD2 LYS 606 HD2 LYS 606 20.410 -7.048 3.497 779 HD3 LYS 606 HD3 LYS 606 18.849 -6.626 2.799 780 HE2 LYS 606 HE2 LYS 606 18.677 -6.709 5.209 781 HE3 LYS 606 HE3 LYS 606 17.732 -8.012 4.492 782 HZ1 LYS 606 HZ1 LYS 606 19.475 -9.560 5.023 783 HZ2 LYS 606 HZ2 LYS 606 19.033 -8.729 6.426 784 HZ3 LYS 606 HZ3 LYS 606 20.461 -8.323 5.619 785 H ASN 607 HN ASN 607 19.800 -8.989 -1.622 786 HA ASN 607 HA ASN 607 21.870 -7.628 -2.998 787 HB2 ASN 607 HB2 ASN 607 20.000 -9.796 -3.980 788 HB3 ASN 607 HB3 ASN 607 21.454 -9.266 -4.817 789 HD21 ASN 607 HD21 ASN 607 20.760 -11.887 -3.789 790 HD22 ASN 607 HD22 ASN 607 22.010 -12.314 -2.673 791 H VAL 608 HN VAL 608 18.419 -7.537 -3.179 792 HA VAL 608 HA VAL 608 18.401 -5.923 -5.595 793 HB VAL 608 HB VAL 608 16.102 -6.590 -3.753 794 HG11 VAL 608 HG11 VAL 608 15.685 -4.683 -5.217 795 HG12 VAL 608 HG12 VAL 608 14.701 -6.065 -5.695 796 HG13 VAL 608 HG13 VAL 608 16.142 -5.646 -6.621 797 HG21 VAL 608 HG21 VAL 608 17.101 -8.646 -4.590 798 HG22 VAL 608 HG22 VAL 608 17.015 -8.035 -6.242 799 HG23 VAL 608 HG23 VAL 608 15.533 -8.369 -5.349 800 H ALA 609 HN ALA 609 16.738 -5.445 -2.503 801 HA ALA 609 HA ALA 609 17.295 -2.590 -2.677 802 HB1 ALA 609 HB1 ALA 609 15.383 -4.092 -0.888 803 HB2 ALA 609 HB2 ALA 609 14.960 -3.264 -2.386 804 HB3 ALA 609 HB3 ALA 609 15.537 -2.338 -1.002 805 H ALA 610 HN ALA 610 19.048 -1.949 -1.686 806 HA ALA 610 HA ALA 610 20.280 -3.416 0.441 807 HB1 ALA 610 HB1 ALA 610 21.626 -2.198 -1.196 808 HB2 ALA 610 HB2 ALA 610 21.939 -1.624 0.442 809 HB3 ALA 610 HB3 ALA 610 20.924 -0.678 -0.646 810 H ILE 611 HN ILE 611 20.216 -3.043 2.570 811 HA ILE 611 HA ILE 611 18.153 -1.547 3.751 812 HB ILE 611 HB ILE 611 20.722 -2.533 5.004 813 HG12 ILE 611 HG12 ILE 611 19.311 -4.305 3.998 814 HG13 ILE 611 HG13 ILE 611 19.420 -4.440 5.749 815 HG21 ILE 611 HG21 ILE 611 18.163 -1.606 6.303 816 HG22 ILE 611 HG22 ILE 611 19.728 -0.795 6.369 817 HG23 ILE 611 HG23 ILE 611 19.516 -2.365 7.142 818 HD11 ILE 611 HD11 ILE 611 17.171 -4.877 5.043 819 HD12 ILE 611 HD12 ILE 611 17.106 -3.347 4.172 820 HD13 ILE 611 HD13 ILE 611 17.213 -3.354 5.932 821 H ILE 612 HN ILE 612 18.142 0.583 3.134 822 HA ILE 612 HA ILE 612 20.412 2.229 4.028 823 HB ILE 612 HB ILE 612 18.274 2.907 2.000 824 HG12 ILE 612 HG12 ILE 612 21.194 2.259 1.531 825 HG13 ILE 612 HG13 ILE 612 19.866 1.138 1.245 826 HG21 ILE 612 HG21 ILE 612 20.792 4.379 2.784 827 HG22 ILE 612 HG22 ILE 612 19.140 4.868 3.164 828 HG23 ILE 612 HG23 ILE 612 19.690 4.848 1.488 829 HD11 ILE 612 HD11 ILE 612 18.951 2.681 -0.426 830 HD12 ILE 612 HD12 ILE 612 20.585 2.146 -0.821 831 HD13 ILE 612 HD13 ILE 612 20.321 3.759 -0.157 832 H GLN 613 HN GLN 613 19.910 2.816 6.065 833 HA GLN 613 HA GLN 613 17.118 3.332 6.749 834 HB2 GLN 613 HB2 GLN 613 19.560 2.850 8.454 835 HB3 GLN 613 HB3 GLN 613 17.981 3.262 9.112 836 HG2 GLN 613 HG2 GLN 613 17.022 1.252 8.188 837 HG3 GLN 613 HG3 GLN 613 18.542 0.859 7.389 838 HE21 GLN 613 HE21 GLN 613 16.859 1.027 10.426 839 HE22 GLN 613 HE22 GLN 613 17.985 0.079 11.332 840 H ASP 614 HN ASP 614 20.208 4.984 6.557 841 HA ASP 614 HA ASP 614 19.278 7.295 8.013 842 HB2 ASP 614 HB2 ASP 614 21.772 6.849 6.365 843 HB3 ASP 614 HB3 ASP 614 21.422 8.341 7.226 844 H ILE 615 HN ILE 615 20.141 6.621 4.651 845 HA ILE 615 HA ILE 615 19.002 9.166 3.812 846 HB ILE 615 HB ILE 615 20.346 7.054 2.109 847 HG12 ILE 615 HG12 ILE 615 21.573 9.506 3.389 848 HG13 ILE 615 HG13 ILE 615 21.813 7.855 3.949 849 HG21 ILE 615 HG21 ILE 615 20.743 8.899 0.549 850 HG22 ILE 615 HG22 ILE 615 19.872 9.994 1.622 851 HG23 ILE 615 HG23 ILE 615 19.019 8.663 0.840 852 HD11 ILE 615 HD11 ILE 615 22.629 8.940 1.267 853 HD12 ILE 615 HD12 ILE 615 22.888 7.292 1.841 854 HD13 ILE 615 HD13 ILE 615 23.697 8.642 2.637 855 H HIS 616 HN HIS 616 17.411 9.227 2.030 856 HA HIS 616 HA HIS 616 15.289 7.399 2.508 857 HB2 HIS 616 HB2 HIS 616 15.661 9.506 0.377 858 HB3 HIS 616 HB3 HIS 616 14.196 8.546 0.543 859 HD1 HIS 616 HD1 HIS 616 13.103 10.986 0.882 860 HD2 HIS 616 HD2 HIS 616 15.538 9.620 3.959 861 HE1 HIS 616 HE1 HIS 616 12.530 12.404 2.877 862 HE2 HIS 616 HE2 HIS 616 13.919 11.472 4.759 863 H SER 617 HN SER 617 16.589 8.094 -0.727 864 HA SER 617 HA SER 617 17.392 5.344 -1.117 865 HB2 SER 617 HB2 SER 617 15.152 6.497 -2.800 866 HB3 SER 617 HB3 SER 617 15.943 4.945 -3.060 867 HG SER 617 HG SER 617 15.137 5.017 -0.538 868 H GLN 618 HN GLN 618 18.027 8.457 -1.461 869 HA GLN 618 HA GLN 618 18.651 8.808 -4.182 870 HB2 GLN 618 HB2 GLN 618 19.863 10.163 -1.766 871 HB3 GLN 618 HB3 GLN 618 20.056 10.696 -3.428 872 HG2 GLN 618 HG2 GLN 618 18.381 12.080 -2.778 873 HG3 GLN 618 HG3 GLN 618 17.424 10.725 -3.368 874 HE21 GLN 618 HE21 GLN 618 16.774 12.780 -1.419 875 HE22 GLN 618 HE22 GLN 618 16.368 11.955 0.045 876 H ARG 619 HN ARG 619 20.990 8.448 -1.510 877 HA ARG 619 HA ARG 619 22.984 7.508 -3.381 878 HB2 ARG 619 HB2 ARG 619 23.153 7.757 -0.374 879 HB3 ARG 619 HB3 ARG 619 24.500 7.482 -1.468 880 HG2 ARG 619 HG2 ARG 619 24.060 9.675 -2.504 881 HG3 ARG 619 HG3 ARG 619 22.779 9.942 -1.320 882 HD2 ARG 619 HD2 ARG 619 24.490 9.637 0.477 883 HD3 ARG 619 HD3 ARG 619 25.723 9.595 -0.781 884 HE ARG 619 HE ARG 619 24.067 11.923 -0.946 885 HH11 ARG 619 HH11 ARG 619 26.819 10.525 0.705 886 HH12 ARG 619 HH12 ARG 619 27.537 12.058 1.075 887 HH21 ARG 619 HH21 ARG 619 24.997 13.947 -0.430 888 HH22 ARG 619 HH22 ARG 619 26.492 14.002 0.445 889 H GLU 620 HN GLU 620 21.691 5.650 -4.000 890 HA GLU 620 HA GLU 620 21.189 3.543 -2.156 891 HB2 GLU 620 HB2 GLU 620 20.764 2.181 -4.207 892 HB3 GLU 620 HB3 GLU 620 19.830 3.668 -4.125 893 HG2 GLU 620 HG2 GLU 620 21.417 4.735 -5.661 894 HG3 GLU 620 HG3 GLU 620 22.318 3.224 -5.759 895 H ARG 621 HN ARG 621 22.285 1.597 -1.886 896 HA ARG 621 HA ARG 621 25.130 1.762 -2.592 897 HB2 ARG 621 HB2 ARG 621 23.843 0.175 -0.362 898 HB3 ARG 621 HB3 ARG 621 25.565 0.374 -0.644 899 HG2 ARG 621 HG2 ARG 621 23.689 2.627 0.039 900 HG3 ARG 621 HG3 ARG 621 24.667 1.751 1.214 901 HD2 ARG 621 HD2 ARG 621 25.831 3.755 0.690 902 HD3 ARG 621 HD3 ARG 621 26.692 2.439 -0.101 903 HE ARG 621 HE ARG 621 25.006 3.345 -2.025 904 HH11 ARG 621 HH11 ARG 621 27.373 4.912 0.028 905 HH12 ARG 621 HH12 ARG 621 27.760 6.132 -1.143 906 HH21 ARG 621 HH21 ARG 621 25.494 4.946 -3.550 907 HH22 ARG 621 HH22 ARG 621 26.680 6.160 -3.182 Start of MODEL 19 1 H1 GLY 510 HT1 GLY 510 23.026 0.376 -3.843 2 H2 GLY 510 HT2 GLY 510 22.290 1.544 -2.871 3 H3 GLY 510 HT3 GLY 510 21.575 1.094 -4.335 4 HA2 GLY 510 HA1 GLY 510 21.216 -1.150 -3.480 5 HA3 GLY 510 HA2 GLY 510 21.912 -0.636 -1.949 6 H ALA 511 HN ALA 511 19.313 0.082 -4.240 7 HA ALA 511 HA ALA 511 17.600 0.753 -1.953 8 HB1 ALA 511 HB1 ALA 511 17.713 2.317 -4.530 9 HB2 ALA 511 HB2 ALA 511 18.357 2.851 -2.979 10 HB3 ALA 511 HB3 ALA 511 16.620 2.615 -3.180 11 H MET 512 HN MET 512 15.846 -0.449 -1.940 12 HA MET 512 HA MET 512 14.917 -1.659 -4.452 13 HB2 MET 512 HB2 MET 512 14.277 -2.375 -1.581 14 HB3 MET 512 HB3 MET 512 13.624 -3.193 -2.993 15 HG2 MET 512 HG2 MET 512 15.851 -3.920 -3.626 16 HG3 MET 512 HG3 MET 512 16.536 -3.062 -2.247 17 HE1 MET 512 HE1 MET 512 17.073 -6.177 -2.851 18 HE2 MET 512 HE2 MET 512 16.991 -6.789 -1.198 19 HE3 MET 512 HE3 MET 512 17.781 -5.249 -1.531 20 H ALA 513 HN ALA 513 13.568 -0.328 -1.449 21 HA ALA 513 HA ALA 513 11.757 1.372 -2.903 22 HB1 ALA 513 HB1 ALA 513 9.714 0.443 -2.015 23 HB2 ALA 513 HB2 ALA 513 10.614 -0.821 -1.176 24 HB3 ALA 513 HB3 ALA 513 10.569 -0.791 -2.940 25 H GLN 514 HN GLN 514 9.973 1.903 -0.833 26 HA GLN 514 HA GLN 514 9.772 3.326 0.928 27 HB2 GLN 514 HB2 GLN 514 12.070 1.709 2.054 28 HB3 GLN 514 HB3 GLN 514 10.985 2.740 2.977 29 HG2 GLN 514 HG2 GLN 514 9.105 1.290 2.371 30 HG3 GLN 514 HG3 GLN 514 10.208 0.251 1.471 31 HE21 GLN 514 HE21 GLN 514 9.117 1.241 4.599 32 HE22 GLN 514 HE22 GLN 514 9.922 0.003 5.504 33 H ARG 515 HN ARG 515 10.456 5.032 -0.438 34 HA ARG 515 HA ARG 515 13.196 5.644 -0.868 35 HB2 ARG 515 HB2 ARG 515 10.674 7.216 -1.382 36 HB3 ARG 515 HB3 ARG 515 12.274 7.718 -1.916 37 HG2 ARG 515 HG2 ARG 515 10.872 5.174 -2.730 38 HG3 ARG 515 HG3 ARG 515 11.023 6.636 -3.714 39 HD2 ARG 515 HD2 ARG 515 13.538 6.374 -3.422 40 HD3 ARG 515 HD3 ARG 515 13.190 4.761 -2.805 41 HE ARG 515 HE ARG 515 11.891 5.013 -5.251 42 HH11 ARG 515 HH11 ARG 515 15.144 4.975 -3.989 43 HH12 ARG 515 HH12 ARG 515 15.856 4.406 -5.463 44 HH21 ARG 515 HH21 ARG 515 12.815 4.249 -7.211 45 HH22 ARG 515 HH22 ARG 515 14.524 3.976 -7.294 46 H LYS 516 HN LYS 516 10.692 7.021 1.204 47 HA LYS 516 HA LYS 516 12.752 8.688 2.459 48 HB2 LYS 516 HB2 LYS 516 9.741 8.866 2.482 49 HB3 LYS 516 HB3 LYS 516 10.757 9.804 3.572 50 HG2 LYS 516 HG2 LYS 516 11.917 10.732 1.565 51 HG3 LYS 516 HG3 LYS 516 10.712 9.922 0.568 52 HD2 LYS 516 HD2 LYS 516 10.106 12.250 0.904 53 HD3 LYS 516 HD3 LYS 516 8.942 11.194 1.705 54 HE2 LYS 516 HE2 LYS 516 9.951 11.612 3.845 55 HE3 LYS 516 HE3 LYS 516 11.266 12.515 3.096 56 HZ1 LYS 516 HZ1 LYS 516 8.419 13.329 2.914 57 HZ2 LYS 516 HZ2 LYS 516 9.787 14.241 2.496 58 HZ3 LYS 516 HZ3 LYS 516 9.473 13.889 4.118 59 H GLY 517 HN GLY 517 13.055 8.674 4.690 60 HA2 GLY 517 HA2 GLY 517 12.809 6.039 5.818 61 HA3 GLY 517 HA1 GLY 517 13.620 7.417 6.545 62 H ALA 518 HN ALA 518 10.321 6.494 5.634 63 HA ALA 518 HA ALA 518 9.408 6.719 8.350 64 HB1 ALA 518 HB1 ALA 518 8.414 8.704 6.301 65 HB2 ALA 518 HB2 ALA 518 9.369 9.073 7.736 66 HB3 ALA 518 HB3 ALA 518 7.726 8.461 7.906 67 H GLY 519 HN GLY 519 7.454 7.365 5.510 68 HA2 GLY 519 HA2 GLY 519 6.027 6.058 4.277 69 HA3 GLY 519 HA1 GLY 519 6.846 4.646 4.923 70 H ARG 520 HN ARG 520 4.044 4.989 4.457 71 HA ARG 520 HA ARG 520 3.169 4.075 7.072 72 HB2 ARG 520 HB2 ARG 520 1.748 6.259 5.538 73 HB3 ARG 520 HB3 ARG 520 0.982 5.317 6.806 74 HG2 ARG 520 HG2 ARG 520 2.960 6.130 8.267 75 HG3 ARG 520 HG3 ARG 520 3.146 7.364 7.017 76 HD2 ARG 520 HD2 ARG 520 1.747 8.236 8.773 77 HD3 ARG 520 HD3 ARG 520 0.759 7.972 7.335 78 HE ARG 520 HE ARG 520 0.690 5.690 9.008 79 HH11 ARG 520 HH11 ARG 520 -0.560 8.957 8.803 80 HH12 ARG 520 HH12 ARG 520 -1.964 8.607 9.756 81 HH21 ARG 520 HH21 ARG 520 -1.156 5.239 10.264 82 HH22 ARG 520 HH22 ARG 520 -2.302 6.500 10.592 83 H VAL 521 HN VAL 521 1.447 2.603 6.954 84 HA VAL 521 HA VAL 521 1.032 1.510 4.275 85 HB VAL 521 HB VAL 521 0.575 0.304 7.008 86 HG11 VAL 521 HG11 VAL 521 0.055 -0.938 4.307 87 HG12 VAL 521 HG12 VAL 521 -1.177 -0.456 5.472 88 HG13 VAL 521 HG13 VAL 521 -0.056 -1.759 5.864 89 HG21 VAL 521 HG21 VAL 521 2.507 -0.334 4.789 90 HG22 VAL 521 HG22 VAL 521 2.292 -1.303 6.246 91 HG23 VAL 521 HG23 VAL 521 2.892 0.351 6.368 92 H VAL 522 HN VAL 522 -0.903 1.472 3.326 93 HA VAL 522 HA VAL 522 -3.133 2.755 4.744 94 HB VAL 522 HB VAL 522 -2.833 2.169 1.785 95 HG11 VAL 522 HG11 VAL 522 -5.136 2.309 2.469 96 HG12 VAL 522 HG12 VAL 522 -4.684 3.723 1.518 97 HG13 VAL 522 HG13 VAL 522 -4.826 3.850 3.271 98 HG21 VAL 522 HG21 VAL 522 -1.173 3.791 2.497 99 HG22 VAL 522 HG22 VAL 522 -2.429 4.745 3.284 100 HG23 VAL 522 HG23 VAL 522 -2.426 4.570 1.531 101 H HIS 523 HN HIS 523 -4.992 1.618 5.166 102 HA HIS 523 HA HIS 523 -4.957 -1.192 4.303 103 HB2 HIS 523 HB2 HIS 523 -5.739 -1.906 6.340 104 HB3 HIS 523 HB3 HIS 523 -4.808 -0.510 6.855 105 HD1 HIS 523 HD1 HIS 523 -6.082 1.375 8.008 106 HD2 HIS 523 HD2 HIS 523 -8.563 -1.562 6.430 107 HE1 HIS 523 HE1 HIS 523 -8.344 1.805 8.995 108 HE2 HIS 523 HE2 HIS 523 -9.780 -0.096 8.181 109 H ILE 524 HN ILE 524 -6.733 -2.056 3.397 110 HA ILE 524 HA ILE 524 -8.936 -0.188 2.834 111 HB ILE 524 HB ILE 524 -7.824 -2.399 1.103 112 HG12 ILE 524 HG12 ILE 524 -7.935 0.591 0.672 113 HG13 ILE 524 HG13 ILE 524 -6.509 -0.291 1.201 114 HG21 ILE 524 HG21 ILE 524 -10.218 -0.618 0.694 115 HG22 ILE 524 HG22 ILE 524 -10.191 -2.380 0.804 116 HG23 ILE 524 HG23 ILE 524 -9.463 -1.571 -0.584 117 HD11 ILE 524 HD11 ILE 524 -6.415 -1.469 -0.887 118 HD12 ILE 524 HD12 ILE 524 -6.489 0.266 -1.192 119 HD13 ILE 524 HD13 ILE 524 -7.926 -0.731 -1.412 120 H CYS 525 HN CYS 525 -10.885 -0.757 3.470 121 HA CYS 525 HA CYS 525 -11.313 -3.525 4.372 122 HB2 CYS 525 HB2 CYS 525 -13.029 -2.465 5.925 123 HB3 CYS 525 HB3 CYS 525 -11.343 -2.133 6.297 124 HG CYS 525 HG CYS 525 -13.150 0.119 6.662 125 H ASN 526 HN ASN 526 -13.808 -3.930 4.539 126 HA ASN 526 HA ASN 526 -15.789 -4.276 3.496 127 HB2 ASN 526 HB2 ASN 526 -15.099 -1.693 2.085 128 HB3 ASN 526 HB3 ASN 526 -16.608 -2.560 1.829 129 HD21 ASN 526 HD21 ASN 526 -14.725 -0.672 4.058 130 HD22 ASN 526 HD22 ASN 526 -16.009 -0.342 5.169 131 H LEU 527 HN LEU 527 -13.269 -5.359 2.534 132 HA LEU 527 HA LEU 527 -13.487 -5.422 -0.353 133 HB2 LEU 527 HB2 LEU 527 -11.574 -6.676 1.605 134 HB3 LEU 527 HB1 LEU 527 -11.507 -6.991 -0.119 135 HG LEU 527 HG LEU 527 -11.281 -4.228 1.063 136 HD11 LEU 527 HD11 LEU 527 -9.071 -6.070 0.164 137 HD12 LEU 527 HD12 LEU 527 -9.437 -5.656 1.839 138 HD13 LEU 527 HD13 LEU 527 -8.893 -4.403 0.720 139 HD21 LEU 527 HD21 LEU 527 -11.987 -4.254 -1.242 140 HD22 LEU 527 HD22 LEU 527 -10.694 -5.377 -1.658 141 HD23 LEU 527 HD23 LEU 527 -10.304 -3.734 -1.151 142 HA PRO 528 HA PRO 528 -15.970 -9.169 -0.233 143 HB2 PRO 528 HB2 PRO 528 -16.097 -9.458 -2.937 144 HB3 PRO 528 HB3 PRO 528 -17.147 -8.365 -2.029 145 HG2 PRO 528 HG2 PRO 528 -14.665 -7.754 -3.582 146 HG3 PRO 528 HG3 PRO 528 -16.187 -6.849 -3.501 147 HD2 PRO 528 HD2 PRO 528 -13.977 -6.130 -2.115 148 HD3 PRO 528 HD3 PRO 528 -15.621 -5.836 -1.512 149 H GLU 529 HN GLU 529 -15.184 -11.147 0.029 150 HA GLU 529 HA GLU 529 -12.560 -11.884 -0.740 151 HB2 GLU 529 HB2 GLU 529 -14.888 -13.376 0.410 152 HB3 GLU 529 HB3 GLU 529 -13.438 -14.233 -0.087 153 HG2 GLU 529 HG2 GLU 529 -12.143 -12.784 1.454 154 HG3 GLU 529 HG3 GLU 529 -13.667 -12.084 2.003 155 H GLY 530 HN GLY 530 -11.844 -12.612 -2.611 156 HA2 GLY 530 HA2 GLY 530 -11.803 -14.134 -4.394 157 HA3 GLY 530 HA1 GLY 530 -13.533 -14.358 -4.216 158 H SER 531 HN SER 531 -13.657 -11.242 -4.185 159 HA SER 531 HA SER 531 -13.973 -11.113 -7.084 160 HB2 SER 531 HB2 SER 531 -14.894 -9.147 -4.980 161 HB3 SER 531 HB3 SER 531 -15.381 -9.180 -6.674 162 HG SER 531 HG SER 531 -15.901 -11.565 -5.823 163 H CYS 532 HN CYS 532 -12.214 -9.528 -4.478 164 HA CYS 532 HA CYS 532 -11.033 -7.605 -6.292 165 HB2 CYS 532 HB2 CYS 532 -10.467 -8.167 -3.374 166 HB3 CYS 532 HB3 CYS 532 -9.808 -6.822 -4.299 167 HG CYS 532 HG CYS 532 -11.656 -5.290 -3.377 168 H THR 533 HN THR 533 -9.094 -7.777 -7.271 169 HA THR 533 HA THR 533 -7.469 -10.134 -6.617 170 HB THR 533 HB THR 533 -6.446 -9.940 -8.799 171 HG1 THR 533 HG1 THR 533 -8.134 -7.674 -9.267 172 HG21 THR 533 HG21 THR 533 -8.372 -10.353 -10.242 173 HG22 THR 533 HG22 THR 533 -9.441 -9.645 -9.032 174 HG23 THR 533 HG23 THR 533 -8.578 -11.142 -8.679 175 H GLU 534 HN GLU 534 -5.033 -9.719 -7.018 176 HA GLU 534 HA GLU 534 -4.115 -7.861 -5.156 177 HB2 GLU 534 HB2 GLU 534 -2.580 -9.007 -7.495 178 HB3 GLU 534 HB3 GLU 534 -1.883 -8.283 -6.053 179 HG2 GLU 534 HG2 GLU 534 -2.766 -10.069 -4.687 180 HG3 GLU 534 HG3 GLU 534 -3.565 -10.774 -6.090 181 H ASN 535 HN ASN 535 -4.284 -7.662 -8.684 182 HA ASN 535 HA ASN 535 -2.949 -5.226 -8.994 183 HB2 ASN 535 HB2 ASN 535 -5.062 -6.534 -10.704 184 HB3 ASN 535 HB3 ASN 535 -4.197 -5.079 -11.183 185 HD21 ASN 535 HD21 ASN 535 -4.258 -7.694 -12.439 186 HD22 ASN 535 HD22 ASN 535 -2.614 -8.231 -12.506 187 H ASP 536 HN ASP 536 -6.416 -5.881 -8.513 188 HA ASP 536 HA ASP 536 -7.319 -3.277 -9.050 189 HB2 ASP 536 HB2 ASP 536 -8.514 -5.342 -7.191 190 HB3 ASP 536 HB3 ASP 536 -9.300 -3.842 -7.659 191 H VAL 537 HN VAL 537 -6.391 -4.809 -6.012 192 HA VAL 537 HA VAL 537 -7.077 -2.620 -4.357 193 HB VAL 537 HB VAL 537 -5.142 -4.880 -3.826 194 HG11 VAL 537 HG11 VAL 537 -5.441 -4.414 -1.490 195 HG12 VAL 537 HG12 VAL 537 -6.580 -3.121 -1.856 196 HG13 VAL 537 HG13 VAL 537 -4.882 -2.950 -2.300 197 HG21 VAL 537 HG21 VAL 537 -7.027 -5.951 -2.690 198 HG22 VAL 537 HG22 VAL 537 -7.375 -5.680 -4.397 199 HG23 VAL 537 HG23 VAL 537 -8.076 -4.618 -3.174 200 H ILE 538 HN ILE 538 -4.002 -3.701 -5.755 201 HA ILE 538 HA ILE 538 -2.404 -1.680 -4.595 202 HB ILE 538 HB ILE 538 -1.972 -3.266 -7.130 203 HG12 ILE 538 HG12 ILE 538 -0.869 -3.673 -4.341 204 HG13 ILE 538 HG13 ILE 538 -2.195 -4.596 -5.040 205 HG21 ILE 538 HG21 ILE 538 0.405 -2.676 -6.866 206 HG22 ILE 538 HG22 ILE 538 -0.027 -1.606 -5.531 207 HG23 ILE 538 HG23 ILE 538 -0.608 -1.262 -7.159 208 HD11 ILE 538 HD11 ILE 538 0.637 -4.526 -6.053 209 HD12 ILE 538 HD12 ILE 538 -0.690 -5.447 -6.762 210 HD13 ILE 538 HD13 ILE 538 -0.115 -5.833 -5.140 211 H ASN 539 HN ASN 539 -4.118 -1.913 -7.678 212 HA ASN 539 HA ASN 539 -3.196 0.492 -8.793 213 HB2 ASN 539 HB2 ASN 539 -5.666 -1.145 -9.296 214 HB3 ASN 539 HB3 ASN 539 -5.374 0.365 -10.149 215 HD21 ASN 539 HD21 ASN 539 -2.464 -0.072 -10.200 216 HD22 ASN 539 HD22 ASN 539 -2.200 -1.278 -11.407 217 H LEU 540 HN LEU 540 -5.667 -0.112 -6.411 218 HA LEU 540 HA LEU 540 -7.035 2.346 -6.750 219 HB2 LEU 540 HB2 LEU 540 -6.851 0.503 -4.382 220 HB3 LEU 540 HB1 LEU 540 -7.856 1.937 -4.413 221 HG LEU 540 HG LEU 540 -8.155 -0.562 -6.056 222 HD11 LEU 540 HD11 LEU 540 -10.335 -0.640 -5.012 223 HD12 LEU 540 HD12 LEU 540 -10.017 0.879 -4.175 224 HD13 LEU 540 HD13 LEU 540 -9.073 -0.561 -3.783 225 HD21 LEU 540 HD21 LEU 540 -10.094 0.585 -7.110 226 HD22 LEU 540 HD22 LEU 540 -8.530 1.247 -7.585 227 HD23 LEU 540 HD23 LEU 540 -9.525 2.099 -6.406 228 H GLY 541 HN GLY 541 -4.286 1.412 -4.737 229 HA2 GLY 541 HA2 GLY 541 -4.307 3.907 -3.295 230 HA3 GLY 541 HA1 GLY 541 -3.070 2.663 -3.207 231 H LEU 542 HN LEU 542 -2.638 2.611 -6.064 232 HA LEU 542 HA LEU 542 -0.385 4.177 -6.164 233 HB2 LEU 542 HB2 LEU 542 -2.041 2.944 -8.315 234 HB3 LEU 542 HB1 LEU 542 -0.634 3.901 -8.721 235 HG LEU 542 HG LEU 542 -0.537 1.492 -6.910 236 HD11 LEU 542 HD11 LEU 542 0.123 1.703 -9.843 237 HD12 LEU 542 HD12 LEU 542 -1.251 0.842 -9.153 238 HD13 LEU 542 HD13 LEU 542 0.390 0.295 -8.816 239 HD21 LEU 542 HD21 LEU 542 1.267 3.103 -6.594 240 HD22 LEU 542 HD22 LEU 542 1.618 3.057 -8.321 241 HD23 LEU 542 HD23 LEU 542 1.861 1.617 -7.333 242 HA PRO 543 HA PRO 543 -2.767 7.216 -9.280 243 HB2 PRO 543 HB2 PRO 543 -5.156 7.537 -7.490 244 HB3 PRO 543 HB3 PRO 543 -5.037 7.706 -9.254 245 HG2 PRO 543 HG2 PRO 543 -6.035 5.504 -8.258 246 HG3 PRO 543 HG3 PRO 543 -4.834 5.386 -9.561 247 HD2 PRO 543 HD2 PRO 543 -4.482 4.954 -6.620 248 HD3 PRO 543 HD3 PRO 543 -3.813 4.031 -7.980 249 H PHE 544 HN PHE 544 -3.076 7.649 -5.723 250 HA PHE 544 HA PHE 544 -2.310 10.456 -6.192 251 HB2 PHE 544 HB2 PHE 544 -3.833 9.204 -3.926 252 HB3 PHE 544 HB1 PHE 544 -3.167 10.833 -3.832 253 HD1 PHE 544 HD1 PHE 544 -5.482 8.680 -5.764 254 HD2 PHE 544 HD2 PHE 544 -4.290 12.646 -4.791 255 HE1 PHE 544 HE1 PHE 544 -7.458 9.554 -6.934 256 HE2 PHE 544 HE2 PHE 544 -6.268 13.530 -5.956 257 HZ PHE 544 HZ PHE 544 -7.855 11.983 -7.031 258 H GLY 545 HN GLY 545 -1.233 7.546 -4.798 259 HA2 GLY 545 HA2 GLY 545 1.132 8.957 -3.734 260 HA3 GLY 545 HA1 GLY 545 0.453 7.534 -2.972 261 H LYS 546 HN LYS 546 2.256 6.306 -3.138 262 HA LYS 546 HA LYS 546 2.539 5.003 -5.705 263 HB2 LYS 546 HB2 LYS 546 4.284 6.729 -5.790 264 HB3 LYS 546 HB3 LYS 546 4.926 6.150 -4.257 265 HG2 LYS 546 HG2 LYS 546 6.262 5.328 -6.117 266 HG3 LYS 546 HG3 LYS 546 5.449 3.988 -5.290 267 HD2 LYS 546 HD2 LYS 546 3.740 3.930 -7.010 268 HD3 LYS 546 HD3 LYS 546 4.466 5.320 -7.818 269 HE2 LYS 546 HE2 LYS 546 6.430 4.062 -8.353 270 HE3 LYS 546 HE3 LYS 546 5.892 2.706 -7.363 271 HZ1 LYS 546 HZ1 LYS 546 4.167 2.220 -8.881 272 HZ2 LYS 546 HZ2 LYS 546 5.546 2.470 -9.828 273 HZ3 LYS 546 HZ3 LYS 546 4.369 3.678 -9.713 274 H VAL 547 HN VAL 547 2.728 2.878 -5.452 275 HA VAL 547 HA VAL 547 2.823 1.825 -2.744 276 HB VAL 547 HB VAL 547 2.157 0.503 -5.376 277 HG11 VAL 547 HG11 VAL 547 1.380 -1.386 -4.030 278 HG12 VAL 547 HG12 VAL 547 1.967 -0.583 -2.573 279 HG13 VAL 547 HG13 VAL 547 3.108 -1.098 -3.814 280 HG21 VAL 547 HG21 VAL 547 0.389 1.353 -3.084 281 HG22 VAL 547 HG22 VAL 547 -0.139 0.516 -4.543 282 HG23 VAL 547 HG23 VAL 547 0.507 2.153 -4.651 283 H THR 548 HN THR 548 4.438 0.651 -1.924 284 HA THR 548 HA THR 548 6.666 -0.101 -3.694 285 HB THR 548 HB THR 548 7.955 -0.286 -1.531 286 HG1 THR 548 HG1 THR 548 6.821 -0.095 0.248 287 HG21 THR 548 HG21 THR 548 8.153 1.659 -3.004 288 HG22 THR 548 HG22 THR 548 8.265 2.126 -1.306 289 HG23 THR 548 HG23 THR 548 6.772 2.404 -2.199 290 H ASN 549 HN ASN 549 4.562 -1.304 -1.125 291 HA ASN 549 HA ASN 549 5.050 -4.045 -1.977 292 HB2 ASN 549 HB2 ASN 549 5.610 -3.072 0.832 293 HB3 ASN 549 HB3 ASN 549 5.374 -4.767 0.429 294 HD21 ASN 549 HD21 ASN 549 7.563 -2.174 0.576 295 HD22 ASN 549 HD22 ASN 549 8.922 -2.980 -0.135 296 H TYR 550 HN TYR 550 3.530 -5.563 -0.767 297 HA TYR 550 HA TYR 550 1.173 -4.236 0.294 298 HB2 TYR 550 HB2 TYR 550 -0.357 -5.265 -1.299 299 HB3 TYR 550 HB3 TYR 550 0.806 -4.253 -2.145 300 HD1 TYR 550 HD1 TYR 550 -0.633 -7.510 -1.882 301 HD2 TYR 550 HD2 TYR 550 2.799 -5.415 -3.269 302 HE1 TYR 550 HE1 TYR 550 -0.067 -9.409 -3.329 303 HE2 TYR 550 HE2 TYR 550 3.377 -7.314 -4.722 304 HH TYR 550 HH TYR 550 1.185 -9.931 -5.276 305 H ILE 551 HN ILE 551 -0.165 -5.553 1.503 306 HA ILE 551 HA ILE 551 0.436 -8.428 1.576 307 HB ILE 551 HB ILE 551 0.129 -6.608 3.975 308 HG12 ILE 551 HG12 ILE 551 2.209 -8.654 3.168 309 HG13 ILE 551 HG13 ILE 551 2.410 -6.907 3.179 310 HG21 ILE 551 HG21 ILE 551 -0.083 -9.621 3.921 311 HG22 ILE 551 HG22 ILE 551 -1.382 -8.488 4.295 312 HG23 ILE 551 HG23 ILE 551 0.007 -8.625 5.373 313 HD11 ILE 551 HD11 ILE 551 1.995 -8.666 5.586 314 HD12 ILE 551 HD12 ILE 551 2.167 -6.912 5.618 315 HD13 ILE 551 HD13 ILE 551 3.510 -7.920 5.081 316 H LEU 552 HN LEU 552 -1.342 -9.555 1.169 317 HA LEU 552 HA LEU 552 -3.921 -8.166 1.426 318 HB2 LEU 552 HB2 LEU 552 -2.938 -10.192 -0.572 319 HB3 LEU 552 HB1 LEU 552 -4.629 -9.750 -0.419 320 HG LEU 552 HG LEU 552 -2.463 -7.728 -0.989 321 HD11 LEU 552 HD11 LEU 552 -4.279 -9.140 -2.946 322 HD12 LEU 552 HD12 LEU 552 -2.544 -9.417 -2.780 323 HD13 LEU 552 HD13 LEU 552 -3.138 -7.847 -3.323 324 HD21 LEU 552 HD21 LEU 552 -4.337 -6.376 -1.746 325 HD22 LEU 552 HD22 LEU 552 -4.531 -6.849 -0.060 326 HD23 LEU 552 HD23 LEU 552 -5.455 -7.672 -1.318 327 H MET 553 HN MET 553 -4.970 -8.887 3.164 328 HA MET 553 HA MET 553 -4.933 -11.784 3.667 329 HB2 MET 553 HB2 MET 553 -5.669 -9.499 5.512 330 HB3 MET 553 HB3 MET 553 -5.772 -11.203 5.936 331 HG2 MET 553 HG2 MET 553 -3.383 -11.448 5.692 332 HG3 MET 553 HG3 MET 553 -3.242 -9.777 5.148 333 HE1 MET 553 HE1 MET 553 -1.530 -9.730 8.670 334 HE2 MET 553 HE2 MET 553 -1.340 -9.364 6.956 335 HE3 MET 553 HE3 MET 553 -1.494 -11.037 7.488 336 H LYS 554 HN LYS 554 -6.403 -12.201 2.029 337 HA LYS 554 HA LYS 554 -8.902 -10.869 1.824 338 HB2 LYS 554 HB2 LYS 554 -7.951 -13.475 0.630 339 HB3 LYS 554 HB3 LYS 554 -9.462 -12.676 0.211 340 HG2 LYS 554 HG2 LYS 554 -8.151 -10.693 -0.511 341 HG3 LYS 554 HG3 LYS 554 -6.677 -11.618 -0.222 342 HD2 LYS 554 HD2 LYS 554 -7.391 -13.275 -1.869 343 HD3 LYS 554 HD3 LYS 554 -8.877 -12.365 -2.145 344 HE2 LYS 554 HE2 LYS 554 -7.530 -10.443 -2.905 345 HE3 LYS 554 HE3 LYS 554 -6.068 -11.406 -2.685 346 HZ1 LYS 554 HZ1 LYS 554 -6.769 -11.430 -4.986 347 HZ2 LYS 554 HZ2 LYS 554 -8.292 -12.025 -4.559 348 HZ3 LYS 554 HZ3 LYS 554 -6.915 -12.980 -4.328 349 H SER 555 HN SER 555 -7.744 -13.643 3.560 350 HA SER 555 HA SER 555 -10.163 -14.935 4.096 351 HB2 SER 555 HB2 SER 555 -8.958 -15.884 6.058 352 HB3 SER 555 HB3 SER 555 -8.025 -15.981 4.565 353 HG SER 555 HG SER 555 -7.427 -14.718 6.877 354 H THR 556 HN THR 556 -8.791 -12.032 5.439 355 HA THR 556 HA THR 556 -10.941 -11.919 7.436 356 HB THR 556 HB THR 556 -9.620 -10.097 8.484 357 HG1 THR 556 HG1 THR 556 -8.254 -9.222 7.101 358 HG21 THR 556 HG21 THR 556 -9.343 -12.415 9.241 359 HG22 THR 556 HG22 THR 556 -7.839 -11.506 9.378 360 HG23 THR 556 HG23 THR 556 -8.062 -12.647 8.051 361 H ASN 557 HN ASN 557 -10.770 -11.206 4.407 362 HA ASN 557 HA ASN 557 -11.632 -9.678 2.945 363 HB2 ASN 557 HB2 ASN 557 -13.130 -8.785 5.417 364 HB3 ASN 557 HB3 ASN 557 -13.507 -8.274 3.778 365 HD21 ASN 557 HD21 ASN 557 -14.553 -9.633 2.422 366 HD22 ASN 557 HD22 ASN 557 -15.258 -11.132 2.929 367 H GLN 558 HN GLN 558 -9.126 -8.957 3.967 368 HA GLN 558 HA GLN 558 -9.360 -6.041 4.256 369 HB2 GLN 558 HB2 GLN 558 -7.757 -7.875 6.043 370 HB3 GLN 558 HB3 GLN 558 -7.603 -6.125 6.031 371 HG2 GLN 558 HG2 GLN 558 -10.248 -7.445 6.533 372 HG3 GLN 558 HG3 GLN 558 -9.066 -7.221 7.830 373 HE21 GLN 558 HE21 GLN 558 -8.615 -5.166 8.564 374 HE22 GLN 558 HE22 GLN 558 -9.616 -3.808 8.192 375 H ALA 559 HN ALA 559 -7.440 -4.867 3.736 376 HA ALA 559 HA ALA 559 -5.258 -6.372 2.507 377 HB1 ALA 559 HB1 ALA 559 -6.812 -5.851 0.678 378 HB2 ALA 559 HB2 ALA 559 -5.273 -5.004 0.502 379 HB3 ALA 559 HB3 ALA 559 -6.696 -4.137 1.082 380 H PHE 560 HN PHE 560 -3.295 -5.339 2.558 381 HA PHE 560 HA PHE 560 -3.217 -2.672 3.789 382 HB2 PHE 560 HB2 PHE 560 -1.317 -4.950 4.401 383 HB3 PHE 560 HB1 PHE 560 -1.293 -3.344 5.123 384 HD1 PHE 560 HD1 PHE 560 -2.576 -6.662 5.349 385 HD2 PHE 560 HD2 PHE 560 -3.306 -2.632 6.507 386 HE1 PHE 560 HE1 PHE 560 -4.084 -7.450 7.125 387 HE2 PHE 560 HE2 PHE 560 -4.813 -3.413 8.289 388 HZ PHE 560 HZ PHE 560 -5.204 -5.825 8.600 389 H LEU 561 HN LEU 561 -1.970 -1.251 2.727 390 HA LEU 561 HA LEU 561 -0.257 -2.289 0.565 391 HB2 LEU 561 HB2 LEU 561 -2.581 -1.380 -0.045 392 HB3 LEU 561 HB1 LEU 561 -1.942 0.195 0.372 393 HG LEU 561 HG LEU 561 -0.300 0.048 -1.410 394 HD11 LEU 561 HD11 LEU 561 -0.352 -1.844 -2.988 395 HD12 LEU 561 HD12 LEU 561 -1.483 -2.680 -1.922 396 HD13 LEU 561 HD13 LEU 561 0.156 -2.329 -1.371 397 HD21 LEU 561 HD21 LEU 561 -3.029 -0.753 -2.411 398 HD22 LEU 561 HD22 LEU 561 -1.801 0.153 -3.295 399 HD23 LEU 561 HD23 LEU 561 -2.588 0.871 -1.890 400 H GLU 562 HN GLU 562 1.764 -1.423 0.490 401 HA GLU 562 HA GLU 562 2.385 0.628 2.500 402 HB2 GLU 562 HB2 GLU 562 3.620 -1.492 2.685 403 HB3 GLU 562 HB3 GLU 562 4.223 -1.288 1.046 404 HG2 GLU 562 HG2 GLU 562 5.314 0.833 1.810 405 HG3 GLU 562 HG3 GLU 562 4.859 0.393 3.457 406 H MET 563 HN MET 563 3.408 2.507 1.988 407 HA MET 563 HA MET 563 3.503 3.121 -0.887 408 HB2 MET 563 HB2 MET 563 2.925 5.030 1.383 409 HB3 MET 563 HB3 MET 563 2.819 5.374 -0.340 410 HG2 MET 563 HG2 MET 563 1.078 3.515 1.256 411 HG3 MET 563 HG3 MET 563 0.616 5.048 0.522 412 HE1 MET 563 HE1 MET 563 -0.882 2.176 0.187 413 HE2 MET 563 HE2 MET 563 -1.344 2.311 -1.510 414 HE3 MET 563 HE3 MET 563 -1.482 3.716 -0.446 415 H ALA 564 HN ALA 564 5.141 4.346 -1.687 416 HA ALA 564 HA ALA 564 7.694 3.994 -0.540 417 HB1 ALA 564 HB1 ALA 564 8.523 5.291 -2.419 418 HB2 ALA 564 HB2 ALA 564 6.891 5.858 -2.771 419 HB3 ALA 564 HB3 ALA 564 7.291 4.153 -2.963 420 H TYR 565 HN TYR 565 5.388 6.535 -0.326 421 HA TYR 565 HA TYR 565 7.255 8.120 1.290 422 HB2 TYR 565 HB2 TYR 565 5.286 9.256 -0.716 423 HB3 TYR 565 HB3 TYR 565 6.386 10.179 0.300 424 HD1 TYR 565 HD1 TYR 565 6.003 8.338 -2.787 425 HD2 TYR 565 HD2 TYR 565 8.843 10.022 -0.110 426 HE1 TYR 565 HE1 TYR 565 7.724 8.208 -4.540 427 HE2 TYR 565 HE2 TYR 565 10.571 9.901 -1.853 428 HH TYR 565 HH TYR 565 9.910 9.394 -5.079 429 H THR 566 HN THR 566 6.373 8.949 3.111 430 HA THR 566 HA THR 566 3.937 7.853 4.049 431 HB THR 566 HB THR 566 5.693 8.371 5.634 432 HG1 THR 566 HG1 THR 566 4.419 9.368 7.177 433 HG21 THR 566 HG21 THR 566 5.274 11.267 4.892 434 HG22 THR 566 HG22 THR 566 6.701 10.296 4.533 435 HG23 THR 566 HG23 THR 566 6.295 10.680 6.205 436 H GLU 567 HN GLU 567 4.867 10.983 2.722 437 HA GLU 567 HA GLU 567 2.352 12.237 3.092 438 HB2 GLU 567 HB2 GLU 567 3.154 13.781 1.245 439 HB3 GLU 567 HB3 GLU 567 4.167 13.690 2.676 440 HG2 GLU 567 HG2 GLU 567 4.762 11.958 0.317 441 HG3 GLU 567 HG3 GLU 567 5.238 13.655 0.313 442 H ALA 568 HN ALA 568 3.656 10.163 0.608 443 HA ALA 568 HA ALA 568 1.611 10.499 -1.303 444 HB1 ALA 568 HB1 ALA 568 3.688 9.412 -1.891 445 HB2 ALA 568 HB2 ALA 568 2.354 8.290 -2.157 446 HB3 ALA 568 HB3 ALA 568 3.380 8.119 -0.732 447 H ALA 569 HN ALA 569 2.002 8.321 1.442 448 HA ALA 569 HA ALA 569 -0.368 6.832 1.019 449 HB1 ALA 569 HB1 ALA 569 1.535 6.085 2.416 450 HB2 ALA 569 HB2 ALA 569 -0.018 5.971 3.238 451 HB3 ALA 569 HB3 ALA 569 1.086 7.293 3.618 452 H GLN 570 HN GLN 570 0.378 9.623 3.081 453 HA GLN 570 HA GLN 570 -2.169 9.798 4.285 454 HB2 GLN 570 HB2 GLN 570 -0.163 12.009 3.799 455 HB3 GLN 570 HB3 GLN 570 -1.497 12.062 4.941 456 HG2 GLN 570 HG2 GLN 570 -0.490 10.291 6.247 457 HG3 GLN 570 HG3 GLN 570 0.816 10.141 5.070 458 HE21 GLN 570 HE21 GLN 570 2.440 10.638 6.491 459 HE22 GLN 570 HE22 GLN 570 2.655 12.219 7.159 460 H ALA 571 HN ALA 571 -0.762 11.391 1.446 461 HA ALA 571 HA ALA 571 -2.866 13.185 0.956 462 HB1 ALA 571 HB1 ALA 571 -0.648 13.447 -0.028 463 HB2 ALA 571 HB2 ALA 571 -1.901 13.448 -1.268 464 HB3 ALA 571 HB3 ALA 571 -0.910 12.010 -1.015 465 H MET 572 HN MET 572 -2.227 9.944 -0.365 466 HA MET 572 HA MET 572 -4.400 9.960 -2.156 467 HB2 MET 572 HB2 MET 572 -4.018 7.651 -2.481 468 HB3 MET 572 HB3 MET 572 -2.439 8.340 -2.154 469 HG2 MET 572 HG2 MET 572 -2.447 7.470 0.076 470 HG3 MET 572 HG3 MET 572 -4.123 6.950 -0.083 471 HE1 MET 572 HE1 MET 572 -0.536 5.099 -2.278 472 HE2 MET 572 HE2 MET 572 -0.461 6.487 -1.190 473 HE3 MET 572 HE3 MET 572 -1.238 6.641 -2.767 474 H VAL 573 HN VAL 573 -4.075 8.897 1.172 475 HA VAL 573 HA VAL 573 -6.638 7.752 1.373 476 HB VAL 573 HB VAL 573 -4.697 8.693 3.472 477 HG11 VAL 573 HG11 VAL 573 -6.183 7.276 4.994 478 HG12 VAL 573 HG12 VAL 573 -7.416 7.460 3.748 479 HG13 VAL 573 HG13 VAL 573 -6.767 8.881 4.563 480 HG21 VAL 573 HG21 VAL 573 -4.424 6.266 3.805 481 HG22 VAL 573 HG22 VAL 573 -4.006 6.767 2.164 482 HG23 VAL 573 HG23 VAL 573 -5.554 5.975 2.481 483 H GLN 574 HN GLN 574 -5.422 11.017 1.957 484 HA GLN 574 HA GLN 574 -7.696 12.045 3.219 485 HB2 GLN 574 HB2 GLN 574 -5.753 13.397 1.339 486 HB3 GLN 574 HB3 GLN 574 -6.995 14.254 2.240 487 HG2 GLN 574 HG2 GLN 574 -5.981 13.537 4.336 488 HG3 GLN 574 HG3 GLN 574 -4.745 12.656 3.441 489 HE21 GLN 574 HE21 GLN 574 -6.001 15.761 2.441 490 HE22 GLN 574 HE22 GLN 574 -4.555 16.657 2.744 491 H TYR 575 HN TYR 575 -6.938 11.589 -0.193 492 HA TYR 575 HA TYR 575 -9.400 12.617 -1.163 493 HB2 TYR 575 HB2 TYR 575 -7.476 12.407 -2.646 494 HB3 TYR 575 HB3 TYR 575 -7.486 10.658 -2.440 495 HD1 TYR 575 HD1 TYR 575 -9.439 13.501 -3.790 496 HD2 TYR 575 HD2 TYR 575 -8.870 9.292 -3.780 497 HE1 TYR 575 HE1 TYR 575 -10.954 13.303 -5.711 498 HE2 TYR 575 HE2 TYR 575 -10.387 9.076 -5.704 499 HH TYR 575 HH TYR 575 -11.423 11.776 -7.534 500 H TYR 576 HN TYR 576 -8.304 9.298 -0.427 501 HA TYR 576 HA TYR 576 -10.724 8.163 -1.437 502 HB2 TYR 576 HB2 TYR 576 -8.623 6.856 0.286 503 HB3 TYR 576 HB3 TYR 576 -9.888 6.031 -0.619 504 HD1 TYR 576 HD1 TYR 576 -6.645 6.137 -0.665 505 HD2 TYR 576 HD2 TYR 576 -9.788 7.453 -3.204 506 HE1 TYR 576 HE1 TYR 576 -5.134 6.006 -2.589 507 HE2 TYR 576 HE2 TYR 576 -8.282 7.331 -5.144 508 HH TYR 576 HH TYR 576 -5.368 5.720 -5.101 509 H GLN 577 HN GLN 577 -9.867 9.430 1.654 510 HA GLN 577 HA GLN 577 -11.921 8.002 3.052 511 HB2 GLN 577 HB2 GLN 577 -10.218 10.378 3.752 512 HB3 GLN 577 HB3 GLN 577 -11.559 9.886 4.780 513 HG2 GLN 577 HG2 GLN 577 -10.529 7.700 5.066 514 HG3 GLN 577 HG3 GLN 577 -9.205 8.183 4.007 515 HE21 GLN 577 HE21 GLN 577 -9.200 7.358 6.831 516 HE22 GLN 577 HE22 GLN 577 -8.449 8.645 7.693 517 H GLU 578 HN GLU 578 -11.757 10.933 1.192 518 HA GLU 578 HA GLU 578 -14.463 11.672 2.023 519 HB2 GLU 578 HB2 GLU 578 -12.455 13.144 0.311 520 HB3 GLU 578 HB3 GLU 578 -14.063 13.740 0.699 521 HG2 GLU 578 HG2 GLU 578 -11.802 13.237 2.619 522 HG3 GLU 578 HG3 GLU 578 -12.462 14.798 2.129 523 H LYS 579 HN LYS 579 -12.598 10.750 -0.817 524 HA LYS 579 HA LYS 579 -15.122 10.081 -2.188 525 HB2 LYS 579 HB2 LYS 579 -12.653 11.300 -3.450 526 HB3 LYS 579 HB3 LYS 579 -14.073 10.745 -4.328 527 HG2 LYS 579 HG2 LYS 579 -15.434 12.442 -3.261 528 HG3 LYS 579 HG3 LYS 579 -14.061 12.960 -2.284 529 HD2 LYS 579 HD2 LYS 579 -14.400 14.463 -4.171 530 HD3 LYS 579 HD3 LYS 579 -12.861 13.613 -4.314 531 HE2 LYS 579 HE2 LYS 579 -13.994 13.703 -6.462 532 HE3 LYS 579 HE3 LYS 579 -13.880 12.040 -5.892 533 HZ1 LYS 579 HZ1 LYS 579 -16.183 12.199 -5.136 534 HZ2 LYS 579 HZ2 LYS 579 -16.056 12.484 -6.796 535 HZ3 LYS 579 HZ3 LYS 579 -16.282 13.778 -5.732 536 HA PRO 580 HA PRO 580 -12.298 6.473 -1.610 537 HB2 PRO 580 HB2 PRO 580 -14.813 5.003 -1.238 538 HB3 PRO 580 HB3 PRO 580 -13.429 5.173 -0.144 539 HG2 PRO 580 HG2 PRO 580 -15.772 6.376 0.380 540 HG3 PRO 580 HG3 PRO 580 -14.220 7.157 0.765 541 HD2 PRO 580 HD2 PRO 580 -16.015 7.597 -1.605 542 HD3 PRO 580 HD3 PRO 580 -15.237 8.797 -0.546 543 H ALA 581 HN ALA 581 -12.092 4.409 -2.711 544 HA ALA 581 HA ALA 581 -12.895 4.738 -5.501 545 HB1 ALA 581 HB1 ALA 581 -10.499 4.470 -4.911 546 HB2 ALA 581 HB2 ALA 581 -11.090 3.251 -6.038 547 HB3 ALA 581 HB3 ALA 581 -10.859 2.840 -4.338 548 H ILE 582 HN ILE 582 -13.585 2.878 -6.762 549 HA ILE 582 HA ILE 582 -15.316 1.163 -5.109 550 HB ILE 582 HB ILE 582 -15.851 2.272 -7.867 551 HG12 ILE 582 HG12 ILE 582 -17.035 2.957 -5.174 552 HG13 ILE 582 HG13 ILE 582 -15.961 3.974 -6.111 553 HG21 ILE 582 HG21 ILE 582 -16.870 0.076 -7.553 554 HG22 ILE 582 HG22 ILE 582 -18.098 1.342 -7.598 555 HG23 ILE 582 HG23 ILE 582 -17.621 0.632 -6.056 556 HD11 ILE 582 HD11 ILE 582 -18.721 3.127 -6.944 557 HD12 ILE 582 HD12 ILE 582 -17.645 4.202 -7.836 558 HD13 ILE 582 HD13 ILE 582 -18.283 4.695 -6.267 559 H ILE 583 HN ILE 583 -15.191 -0.973 -5.339 560 HA ILE 583 HA ILE 583 -14.121 -2.058 -7.861 561 HB ILE 583 HB ILE 583 -13.601 -3.074 -5.068 562 HG12 ILE 583 HG12 ILE 583 -11.797 -2.187 -7.326 563 HG13 ILE 583 HG13 ILE 583 -12.038 -1.380 -5.781 564 HG21 ILE 583 HG21 ILE 583 -14.201 -4.983 -6.410 565 HG22 ILE 583 HG22 ILE 583 -12.461 -4.994 -6.115 566 HG23 ILE 583 HG23 ILE 583 -13.086 -4.481 -7.681 567 HD11 ILE 583 HD11 ILE 583 -9.910 -2.579 -5.881 568 HD12 ILE 583 HD12 ILE 583 -10.779 -4.089 -6.156 569 HD13 ILE 583 HD13 ILE 583 -10.968 -3.227 -4.630 570 H ASN 584 HN ASN 584 -15.607 -3.154 -8.922 571 HA ASN 584 HA ASN 584 -17.395 -4.446 -9.444 572 HB2 ASN 584 HB2 ASN 584 -16.768 -5.635 -6.740 573 HB3 ASN 584 HB3 ASN 584 -18.030 -6.265 -7.788 574 HD21 ASN 584 HD21 ASN 584 -15.009 -4.982 -9.006 575 HD22 ASN 584 HD22 ASN 584 -14.372 -6.493 -9.544 576 H GLY 585 HN GLY 585 -17.873 -1.891 -8.298 577 HA2 GLY 585 HA2 GLY 585 -19.865 -0.735 -7.968 578 HA3 GLY 585 HA1 GLY 585 -20.674 -2.267 -7.691 579 H GLU 586 HN GLU 586 -17.975 -2.230 -5.776 580 HA GLU 586 HA GLU 586 -19.572 -1.287 -3.501 581 HB2 GLU 586 HB2 GLU 586 -17.186 -3.146 -3.503 582 HB3 GLU 586 HB3 GLU 586 -18.176 -2.722 -2.108 583 HG2 GLU 586 HG2 GLU 586 -20.136 -3.702 -3.305 584 HG3 GLU 586 HG3 GLU 586 -19.012 -4.267 -4.540 585 H LYS 587 HN LYS 587 -18.967 0.459 -2.439 586 HA LYS 587 HA LYS 587 -16.626 1.897 -3.320 587 HB2 LYS 587 HB2 LYS 587 -18.708 2.582 -1.234 588 HB3 LYS 587 HB3 LYS 587 -17.447 3.671 -1.796 589 HG2 LYS 587 HG2 LYS 587 -18.391 3.649 -4.036 590 HG3 LYS 587 HG3 LYS 587 -19.624 2.498 -3.522 591 HD2 LYS 587 HD2 LYS 587 -19.273 5.274 -2.391 592 HD3 LYS 587 HD3 LYS 587 -20.444 4.835 -3.634 593 HE2 LYS 587 HE2 LYS 587 -21.493 3.259 -2.083 594 HE3 LYS 587 HE3 LYS 587 -20.323 3.701 -0.843 595 HZ1 LYS 587 HZ1 LYS 587 -22.368 4.873 -0.490 596 HZ2 LYS 587 HZ2 LYS 587 -22.354 5.490 -2.060 597 HZ3 LYS 587 HZ3 LYS 587 -21.180 5.984 -0.948 598 H LEU 588 HN LEU 588 -14.728 1.306 -2.547 599 HA LEU 588 HA LEU 588 -14.507 0.064 0.070 600 HB2 LEU 588 HB2 LEU 588 -12.356 0.711 -1.937 601 HB3 LEU 588 HB1 LEU 588 -12.182 -0.300 -0.518 602 HG LEU 588 HG LEU 588 -13.789 -0.920 -2.987 603 HD11 LEU 588 HD11 LEU 588 -11.448 -1.184 -3.328 604 HD12 LEU 588 HD12 LEU 588 -12.140 -2.791 -3.097 605 HD13 LEU 588 HD13 LEU 588 -11.259 -2.009 -1.782 606 HD21 LEU 588 HD21 LEU 588 -14.948 -1.762 -1.010 607 HD22 LEU 588 HD22 LEU 588 -13.459 -2.521 -0.449 608 HD23 LEU 588 HD23 LEU 588 -14.234 -3.086 -1.929 609 H LEU 589 HN LEU 589 -13.895 1.109 1.846 610 HA LEU 589 HA LEU 589 -13.016 3.847 1.644 611 HB2 LEU 589 HB2 LEU 589 -14.546 3.146 3.441 612 HB3 LEU 589 HB1 LEU 589 -13.320 2.055 4.058 613 HG LEU 589 HG LEU 589 -11.893 3.932 4.651 614 HD11 LEU 589 HD11 LEU 589 -12.492 5.454 2.845 615 HD12 LEU 589 HD12 LEU 589 -12.679 6.236 4.413 616 HD13 LEU 589 HD13 LEU 589 -14.099 5.663 3.540 617 HD21 LEU 589 HD21 LEU 589 -13.270 4.896 6.413 618 HD22 LEU 589 HD22 LEU 589 -13.565 3.164 6.261 619 HD23 LEU 589 HD23 LEU 589 -14.728 4.317 5.604 620 H ILE 590 HN ILE 590 -11.008 4.152 1.001 621 HA ILE 590 HA ILE 590 -8.881 2.345 1.894 622 HB ILE 590 HB ILE 590 -8.680 4.707 0.012 623 HG12 ILE 590 HG12 ILE 590 -9.011 1.792 -0.692 624 HG13 ILE 590 HG13 ILE 590 -10.208 3.054 -0.917 625 HG21 ILE 590 HG21 ILE 590 -6.595 3.628 -0.720 626 HG22 ILE 590 HG22 ILE 590 -6.816 2.404 0.530 627 HG23 ILE 590 HG23 ILE 590 -6.564 4.090 0.981 628 HD11 ILE 590 HD11 ILE 590 -9.119 2.557 -3.013 629 HD12 ILE 590 HD12 ILE 590 -7.540 2.875 -2.297 630 HD13 ILE 590 HD13 ILE 590 -8.699 4.190 -2.493 631 H ARG 591 HN ARG 591 -7.884 2.879 3.747 632 HA ARG 591 HA ARG 591 -7.423 5.695 4.327 633 HB2 ARG 591 HB2 ARG 591 -8.353 5.498 6.620 634 HB3 ARG 591 HB3 ARG 591 -9.560 5.418 5.347 635 HG2 ARG 591 HG2 ARG 591 -9.941 3.156 5.679 636 HG3 ARG 591 HG3 ARG 591 -8.408 2.924 6.523 637 HD2 ARG 591 HD2 ARG 591 -10.365 2.864 8.033 638 HD3 ARG 591 HD3 ARG 591 -9.219 4.136 8.437 639 HE ARG 591 HE ARG 591 -11.251 5.150 6.750 640 HH11 ARG 591 HH11 ARG 591 -10.663 4.113 10.037 641 HH12 ARG 591 HH12 ARG 591 -11.931 5.081 10.711 642 HH21 ARG 591 HH21 ARG 591 -12.915 6.459 7.641 643 HH22 ARG 591 HH22 ARG 591 -13.200 6.427 9.351 644 H MET 592 HN MET 592 -6.201 6.012 6.377 645 HA MET 592 HA MET 592 -3.740 4.676 6.118 646 HB2 MET 592 HB2 MET 592 -4.733 6.360 8.432 647 HB3 MET 592 HB3 MET 592 -3.056 5.998 8.062 648 HG2 MET 592 HG2 MET 592 -4.571 7.304 5.899 649 HG3 MET 592 HG3 MET 592 -4.327 8.266 7.356 650 HE1 MET 592 HE1 MET 592 -1.808 5.494 6.111 651 HE2 MET 592 HE2 MET 592 -0.779 6.428 5.026 652 HE3 MET 592 HE3 MET 592 -2.462 6.123 4.600 653 H SER 593 HN SER 593 -2.799 3.026 7.290 654 HA SER 593 HA SER 593 -4.558 1.469 8.980 655 HB2 SER 593 HB2 SER 593 -2.780 -0.176 9.047 656 HB3 SER 593 HB3 SER 593 -2.960 0.382 7.387 657 HG SER 593 HG SER 593 -1.135 1.650 7.644 658 H THR 594 HN THR 594 -4.682 1.597 11.121 659 HA THR 594 HA THR 594 -2.712 3.176 12.578 660 HB THR 594 HB THR 594 -4.383 2.718 14.500 661 HG1 THR 594 HG1 THR 594 -6.567 2.376 13.426 662 HG21 THR 594 HG21 THR 594 -5.257 4.330 12.096 663 HG22 THR 594 HG22 THR 594 -4.182 4.886 13.378 664 HG23 THR 594 HG23 THR 594 -5.869 4.520 13.738 665 H ARG 595 HN ARG 595 -1.971 0.621 11.512 666 HA ARG 595 HA ARG 595 -1.362 -0.827 13.985 667 HB2 ARG 595 HB2 ARG 595 -2.374 -2.131 11.449 668 HB3 ARG 595 HB3 ARG 595 -1.802 -2.983 12.873 669 HG2 ARG 595 HG2 ARG 595 -3.641 -2.053 14.175 670 HG3 ARG 595 HG3 ARG 595 -4.213 -1.189 12.746 671 HD2 ARG 595 HD2 ARG 595 -4.417 -3.400 11.596 672 HD3 ARG 595 HD3 ARG 595 -4.052 -4.170 13.138 673 HE ARG 595 HE ARG 595 -6.168 -2.417 13.564 674 HH11 ARG 595 HH11 ARG 595 -5.519 -5.370 11.792 675 HH12 ARG 595 HH12 ARG 595 -7.176 -5.883 11.803 676 HH21 ARG 595 HH21 ARG 595 -8.342 -3.098 13.580 677 HH22 ARG 595 HH22 ARG 595 -8.782 -4.593 12.818 678 H TYR 596 HN TYR 596 -0.660 -0.271 10.568 679 HA TYR 596 HA TYR 596 1.963 -1.553 10.928 680 HB2 TYR 596 HB2 TYR 596 0.330 -1.090 8.429 681 HB3 TYR 596 HB3 TYR 596 1.967 -1.727 8.431 682 HD1 TYR 596 HD1 TYR 596 2.385 -4.014 8.883 683 HD2 TYR 596 HD2 TYR 596 -1.523 -2.430 9.422 684 HE1 TYR 596 HE1 TYR 596 1.493 -6.296 9.066 685 HE2 TYR 596 HE2 TYR 596 -2.426 -4.709 9.614 686 HH TYR 596 HH TYR 596 -1.864 -6.965 8.969 687 H LYS 597 HN LYS 597 3.749 -0.369 10.721 688 HA LYS 597 HA LYS 597 3.598 2.360 9.718 689 HB2 LYS 597 HB2 LYS 597 4.968 1.952 11.701 690 HB3 LYS 597 HB3 LYS 597 5.911 0.753 10.829 691 HG2 LYS 597 HG2 LYS 597 7.142 2.823 11.017 692 HG3 LYS 597 HG3 LYS 597 6.744 2.501 9.330 693 HD2 LYS 597 HD2 LYS 597 6.387 4.838 9.794 694 HD3 LYS 597 HD3 LYS 597 4.826 4.061 9.536 695 HE2 LYS 597 HE2 LYS 597 4.475 3.947 11.944 696 HE3 LYS 597 HE3 LYS 597 6.053 4.678 12.220 697 HZ1 LYS 597 HZ1 LYS 597 4.351 6.336 12.407 698 HZ2 LYS 597 HZ2 LYS 597 3.731 5.952 10.885 699 HZ3 LYS 597 HZ3 LYS 597 5.263 6.654 11.020 700 H GLU 598 HN GLU 598 5.020 -0.755 8.941 701 HA GLU 598 HA GLU 598 5.032 -0.097 6.124 702 HB2 GLU 598 HB2 GLU 598 7.392 -0.750 5.810 703 HB3 GLU 598 HB3 GLU 598 7.237 0.697 6.795 704 HG2 GLU 598 HG2 GLU 598 7.544 -0.705 8.814 705 HG3 GLU 598 HG3 GLU 598 7.827 -2.091 7.761 706 H LEU 599 HN LEU 599 5.348 -2.022 4.796 707 HA LEU 599 HA LEU 599 4.262 -4.367 6.168 708 HB2 LEU 599 HB2 LEU 599 4.528 -3.713 3.236 709 HB3 LEU 599 HB1 LEU 599 3.876 -5.217 3.856 710 HG LEU 599 HG LEU 599 2.676 -2.500 4.409 711 HD11 LEU 599 HD11 LEU 599 1.814 -4.636 2.475 712 HD12 LEU 599 HD12 LEU 599 2.540 -3.089 2.035 713 HD13 LEU 599 HD13 LEU 599 0.960 -3.134 2.818 714 HD21 LEU 599 HD21 LEU 599 0.784 -3.729 5.222 715 HD22 LEU 599 HD22 LEU 599 2.221 -4.279 6.087 716 HD23 LEU 599 HD23 LEU 599 1.538 -5.258 4.784 717 H GLN 600 HN GLN 600 5.683 -5.740 6.930 718 HA GLN 600 HA GLN 600 8.376 -5.809 5.923 719 HB2 GLN 600 HB2 GLN 600 7.035 -7.380 8.126 720 HB3 GLN 600 HB3 GLN 600 8.756 -7.411 7.768 721 HG2 GLN 600 HG2 GLN 600 9.000 -5.120 8.370 722 HG3 GLN 600 HG3 GLN 600 7.255 -4.911 8.495 723 HE21 GLN 600 HE21 GLN 600 8.914 -7.745 9.681 724 HE22 GLN 600 HE22 GLN 600 8.661 -7.426 11.356 725 H LEU 601 HN LEU 601 7.823 -6.591 3.789 726 HA LEU 601 HA LEU 601 7.079 -9.392 3.575 727 HB2 LEU 601 HB2 LEU 601 7.871 -7.344 1.504 728 HB3 LEU 601 HB1 LEU 601 7.460 -9.003 1.126 729 HG LEU 601 HG LEU 601 5.608 -6.929 2.301 730 HD11 LEU 601 HD11 LEU 601 6.104 -6.633 -0.079 731 HD12 LEU 601 HD12 LEU 601 4.436 -7.143 0.177 732 HD13 LEU 601 HD13 LEU 601 5.637 -8.305 -0.381 733 HD21 LEU 601 HD21 LEU 601 5.086 -9.116 3.216 734 HD22 LEU 601 HD22 LEU 601 5.114 -9.822 1.601 735 HD23 LEU 601 HD23 LEU 601 3.868 -8.648 2.030 736 H LYS 602 HN LYS 602 8.444 -11.032 2.882 737 HA LYS 602 HA LYS 602 11.304 -10.442 3.011 738 HB2 LYS 602 HB2 LYS 602 11.565 -12.947 2.985 739 HB3 LYS 602 HB3 LYS 602 10.720 -12.303 4.382 740 HG2 LYS 602 HG2 LYS 602 9.457 -14.150 3.853 741 HG3 LYS 602 HG3 LYS 602 8.580 -12.863 3.029 742 HD2 LYS 602 HD2 LYS 602 9.839 -13.449 0.950 743 HD3 LYS 602 HD3 LYS 602 10.501 -14.837 1.810 744 HE2 LYS 602 HE2 LYS 602 7.563 -14.310 1.382 745 HE3 LYS 602 HE3 LYS 602 8.543 -15.405 0.410 746 HZ1 LYS 602 HZ1 LYS 602 8.952 -16.741 2.361 747 HZ2 LYS 602 HZ2 LYS 602 7.287 -16.563 2.132 748 HZ3 LYS 602 HZ3 LYS 602 8.074 -15.669 3.330 749 H LYS 603 HN LYS 603 9.016 -10.267 0.829 750 HA LYS 603 HA LYS 603 10.824 -10.963 -1.389 751 HB2 LYS 603 HB2 LYS 603 7.801 -10.773 -1.457 752 HB3 LYS 603 HB3 LYS 603 8.840 -11.173 -2.815 753 HG2 LYS 603 HG2 LYS 603 9.496 -13.239 -1.747 754 HG3 LYS 603 HG3 LYS 603 8.558 -12.817 -0.316 755 HD2 LYS 603 HD2 LYS 603 7.340 -14.405 -1.697 756 HD3 LYS 603 HD3 LYS 603 6.506 -12.853 -1.646 757 HE2 LYS 603 HE2 LYS 603 6.471 -13.715 -3.898 758 HE3 LYS 603 HE3 LYS 603 7.499 -12.286 -3.835 759 HZ1 LYS 603 HZ1 LYS 603 8.454 -15.098 -3.807 760 HZ2 LYS 603 HZ2 LYS 603 9.435 -13.723 -3.780 761 HZ3 LYS 603 HZ3 LYS 603 8.492 -14.060 -5.141 762 HA PRO 604 HA PRO 604 10.822 -6.440 -1.829 763 HB2 PRO 604 HB2 PRO 604 12.287 -7.223 -4.294 764 HB3 PRO 604 HB3 PRO 604 12.737 -6.060 -3.042 765 HG2 PRO 604 HG2 PRO 604 13.960 -8.420 -3.201 766 HG3 PRO 604 HG3 PRO 604 13.566 -7.703 -1.628 767 HD2 PRO 604 HD2 PRO 604 12.176 -9.902 -3.110 768 HD3 PRO 604 HD3 PRO 604 12.516 -9.754 -1.372 769 H GLY 605 HN GLY 605 8.786 -5.917 -2.371 770 HA2 GLY 605 HA2 GLY 605 7.178 -7.117 -4.279 771 HA3 GLY 605 HA1 GLY 605 6.908 -5.521 -3.604 772 H LYS 606 HN LYS 606 8.836 -3.966 -4.622 773 HA LYS 606 HA LYS 606 8.629 -4.356 -7.533 774 HB2 LYS 606 HB2 LYS 606 8.407 -1.714 -6.075 775 HB3 LYS 606 HB3 LYS 606 8.319 -1.947 -7.815 776 HG2 LYS 606 HG2 LYS 606 6.351 -2.958 -5.770 777 HG3 LYS 606 HG3 LYS 606 6.105 -1.633 -6.907 778 HD2 LYS 606 HD2 LYS 606 6.231 -3.160 -8.778 779 HD3 LYS 606 HD3 LYS 606 6.630 -4.498 -7.698 780 HE2 LYS 606 HE2 LYS 606 4.431 -4.173 -6.582 781 HE3 LYS 606 HE3 LYS 606 4.041 -2.962 -7.802 782 HZ1 LYS 606 HZ1 LYS 606 4.644 -5.819 -8.336 783 HZ2 LYS 606 HZ2 LYS 606 4.275 -4.660 -9.509 784 HZ3 LYS 606 HZ3 LYS 606 3.109 -5.111 -8.373 785 H ASN 607 HN ASN 607 10.684 -5.124 -7.794 786 HA ASN 607 HA ASN 607 12.856 -3.306 -6.990 787 HB2 ASN 607 HB2 ASN 607 12.639 -5.633 -5.843 788 HB3 ASN 607 HB3 ASN 607 13.257 -6.262 -7.366 789 HD21 ASN 607 HD21 ASN 607 15.152 -6.990 -6.428 790 HD22 ASN 607 HD22 ASN 607 16.402 -5.913 -5.903 791 H VAL 608 HN VAL 608 14.865 -4.777 -8.408 792 HA VAL 608 HA VAL 608 15.899 -4.882 -10.409 793 HB VAL 608 HB VAL 608 13.125 -4.998 -11.608 794 HG11 VAL 608 HG11 VAL 608 15.802 -5.707 -12.807 795 HG12 VAL 608 HG12 VAL 608 14.810 -4.314 -13.240 796 HG13 VAL 608 HG13 VAL 608 14.233 -5.947 -13.573 797 HG21 VAL 608 HG21 VAL 608 13.536 -6.835 -10.060 798 HG22 VAL 608 HG22 VAL 608 15.048 -7.208 -10.890 799 HG23 VAL 608 HG23 VAL 608 13.509 -7.415 -11.727 800 H ALA 609 HN ALA 609 13.098 -3.121 -11.667 801 HA ALA 609 HA ALA 609 14.758 -0.693 -11.767 802 HB1 ALA 609 HB1 ALA 609 13.014 -1.811 -13.952 803 HB2 ALA 609 HB2 ALA 609 14.773 -1.690 -13.966 804 HB3 ALA 609 HB3 ALA 609 13.787 -0.227 -13.994 805 H ALA 610 HN ALA 610 12.166 -2.036 -10.431 806 HA ALA 610 HA ALA 610 10.226 -1.341 -9.493 807 HB1 ALA 610 HB1 ALA 610 9.918 1.029 -9.012 808 HB2 ALA 610 HB2 ALA 610 11.213 1.444 -10.135 809 HB3 ALA 610 HB3 ALA 610 11.576 0.539 -8.665 810 H ILE 611 HN ILE 611 8.153 -0.018 -10.019 811 HA ILE 611 HA ILE 611 7.729 -0.130 -12.921 812 HB ILE 611 HB ILE 611 5.650 -0.061 -10.722 813 HG12 ILE 611 HG12 ILE 611 6.625 -2.341 -12.462 814 HG13 ILE 611 HG13 ILE 611 6.911 -2.166 -10.734 815 HG21 ILE 611 HG21 ILE 611 4.862 0.937 -12.799 816 HG22 ILE 611 HG22 ILE 611 4.072 -0.614 -12.524 817 HG23 ILE 611 HG23 ILE 611 5.381 -0.485 -13.699 818 HD11 ILE 611 HD11 ILE 611 4.228 -2.539 -12.043 819 HD12 ILE 611 HD12 ILE 611 4.526 -2.387 -10.312 820 HD13 ILE 611 HD13 ILE 611 5.154 -3.778 -11.195 821 H ILE 612 HN ILE 612 8.304 1.781 -13.709 822 HA ILE 612 HA ILE 612 7.743 4.209 -12.189 823 HB ILE 612 HB ILE 612 9.422 3.850 -14.675 824 HG12 ILE 612 HG12 ILE 612 10.318 4.042 -11.788 825 HG13 ILE 612 HG13 ILE 612 10.254 2.548 -12.717 826 HG21 ILE 612 HG21 ILE 612 9.260 6.117 -12.691 827 HG22 ILE 612 HG22 ILE 612 8.638 6.135 -14.340 828 HG23 ILE 612 HG23 ILE 612 10.375 6.022 -14.055 829 HD11 ILE 612 HD11 ILE 612 11.915 3.432 -14.261 830 HD12 ILE 612 HD12 ILE 612 12.513 3.441 -12.601 831 HD13 ILE 612 HD13 ILE 612 11.966 4.940 -13.350 832 H GLN 613 HN GLN 613 5.515 4.407 -12.631 833 HA GLN 613 HA GLN 613 4.817 4.972 -15.427 834 HB2 GLN 613 HB2 GLN 613 2.989 4.615 -13.045 835 HB3 GLN 613 HB3 GLN 613 2.485 4.804 -14.717 836 HG2 GLN 613 HG2 GLN 613 3.993 2.492 -13.532 837 HG3 GLN 613 HG3 GLN 613 2.316 2.500 -14.069 838 HE21 GLN 613 HE21 GLN 613 1.871 2.529 -16.285 839 HE22 GLN 613 HE22 GLN 613 3.063 2.078 -17.458 840 H ASP 614 HN ASP 614 4.840 6.322 -12.193 841 HA ASP 614 HA ASP 614 4.805 9.004 -13.309 842 HB2 ASP 614 HB2 ASP 614 2.890 8.007 -11.236 843 HB3 ASP 614 HB3 ASP 614 3.301 9.705 -11.354 844 H ILE 615 HN ILE 615 6.776 9.353 -12.800 845 HA ILE 615 HA ILE 615 8.219 8.528 -10.559 846 HB ILE 615 HB ILE 615 8.755 11.009 -12.201 847 HG12 ILE 615 HG12 ILE 615 9.772 8.201 -12.672 848 HG13 ILE 615 HG13 ILE 615 8.422 8.906 -13.548 849 HG21 ILE 615 HG21 ILE 615 10.075 10.853 -10.148 850 HG22 ILE 615 HG22 ILE 615 11.090 10.625 -11.573 851 HG23 ILE 615 HG23 ILE 615 10.603 9.233 -10.605 852 HD11 ILE 615 HD11 ILE 615 11.257 9.901 -13.551 853 HD12 ILE 615 HD12 ILE 615 9.909 10.652 -14.405 854 HD13 ILE 615 HD13 ILE 615 10.446 9.032 -14.854 855 H HIS 616 HN HIS 616 8.544 9.346 -8.576 856 HA HIS 616 HA HIS 616 7.448 11.981 -7.913 857 HB2 HIS 616 HB2 HIS 616 6.936 9.385 -6.480 858 HB3 HIS 616 HB3 HIS 616 6.858 10.918 -5.622 859 HD1 HIS 616 HD1 HIS 616 5.189 9.145 -8.547 860 HD2 HIS 616 HD2 HIS 616 4.487 12.235 -5.854 861 HE1 HIS 616 HE1 HIS 616 2.793 9.820 -8.899 862 HE2 HIS 616 HE2 HIS 616 2.432 11.778 -7.357 863 H SER 617 HN SER 617 8.755 13.208 -6.726 864 HA SER 617 HA SER 617 10.579 13.959 -5.623 865 HB2 SER 617 HB2 SER 617 10.661 11.180 -4.428 866 HB3 SER 617 HB3 SER 617 11.401 12.635 -3.758 867 HG SER 617 HG SER 617 9.247 13.516 -3.641 868 H GLN 618 HN GLN 618 10.887 12.554 -8.219 869 HA GLN 618 HA GLN 618 12.539 12.202 -9.715 870 HB2 GLN 618 HB2 GLN 618 14.181 13.338 -7.472 871 HB3 GLN 618 HB3 GLN 618 14.874 12.919 -9.033 872 HG2 GLN 618 HG2 GLN 618 12.646 14.895 -8.583 873 HG3 GLN 618 HG3 GLN 618 14.341 15.307 -8.843 874 HE21 GLN 618 HE21 GLN 618 11.419 14.130 -10.292 875 HE22 GLN 618 HE22 GLN 618 11.936 14.257 -11.937 876 H ARG 619 HN ARG 619 12.073 10.246 -7.214 877 HA ARG 619 HA ARG 619 14.512 8.693 -7.413 878 HB2 ARG 619 HB2 ARG 619 12.011 8.385 -5.763 879 HB3 ARG 619 HB3 ARG 619 13.282 7.170 -5.786 880 HG2 ARG 619 HG2 ARG 619 13.637 10.049 -4.969 881 HG3 ARG 619 HG3 ARG 619 13.479 8.677 -3.870 882 HD2 ARG 619 HD2 ARG 619 15.506 7.686 -4.821 883 HD3 ARG 619 HD3 ARG 619 15.664 9.057 -5.916 884 HE ARG 619 HE ARG 619 15.570 9.800 -3.140 885 HH11 ARG 619 HH11 ARG 619 17.642 8.732 -5.754 886 HH12 ARG 619 HH12 ARG 619 19.074 9.447 -5.084 887 HH21 ARG 619 HH21 ARG 619 17.462 10.744 -2.255 888 HH22 ARG 619 HH22 ARG 619 18.974 10.577 -3.094 889 H GLU 620 HN GLU 620 14.135 8.396 -9.730 890 HA GLU 620 HA GLU 620 12.203 6.272 -10.343 891 HB2 GLU 620 HB2 GLU 620 12.681 6.884 -12.729 892 HB3 GLU 620 HB3 GLU 620 11.979 8.193 -11.789 893 HG2 GLU 620 HG2 GLU 620 14.158 9.218 -11.533 894 HG3 GLU 620 HG3 GLU 620 14.911 7.876 -12.390 895 H ARG 621 HN ARG 621 14.269 5.450 -8.885 896 HA ARG 621 HA ARG 621 15.936 3.930 -8.721 897 HB2 ARG 621 HB2 ARG 621 14.932 3.299 -11.480 898 HB3 ARG 621 HB3 ARG 621 16.332 2.464 -10.818 899 HG2 ARG 621 HG2 ARG 621 13.624 2.554 -9.508 900 HG3 ARG 621 HG3 ARG 621 14.214 1.230 -10.516 901 HD2 ARG 621 HD2 ARG 621 16.087 0.906 -8.970 902 HD3 ARG 621 HD3 ARG 621 15.475 2.209 -7.958 903 HE ARG 621 HE ARG 621 13.428 0.729 -7.730 904 HH11 ARG 621 HH11 ARG 621 16.640 -0.543 -8.279 905 HH12 ARG 621 HH12 ARG 621 16.335 -2.022 -7.430 906 HH21 ARG 621 HH21 ARG 621 13.039 -1.212 -6.569 907 HH22 ARG 621 HH22 ARG 621 14.310 -2.392 -6.442 Start of MODEL 20 1 H1 GLY 510 HT1 GLY 510 6.874 -7.536 -2.500 2 H2 GLY 510 HT2 GLY 510 7.875 -8.732 -3.146 3 H3 GLY 510 HT3 GLY 510 6.756 -7.943 -4.136 4 HA2 GLY 510 HA1 GLY 510 8.956 -7.089 -4.559 5 HA3 GLY 510 HA2 GLY 510 7.930 -5.853 -3.843 6 H ALA 511 HN ALA 511 10.686 -5.638 -3.738 7 HA ALA 511 HA ALA 511 11.172 -6.064 -0.865 8 HB1 ALA 511 HB1 ALA 511 13.520 -6.548 -1.344 9 HB2 ALA 511 HB2 ALA 511 13.193 -6.433 -3.073 10 HB3 ALA 511 HB3 ALA 511 12.450 -7.715 -2.118 11 H MET 512 HN MET 512 10.904 -3.863 -3.354 12 HA MET 512 HA MET 512 12.927 -2.043 -2.317 13 HB2 MET 512 HB2 MET 512 11.067 -1.821 -4.684 14 HB3 MET 512 HB3 MET 512 12.192 -0.560 -4.201 15 HG2 MET 512 HG2 MET 512 12.888 -3.343 -5.098 16 HG3 MET 512 HG3 MET 512 13.124 -1.851 -6.005 17 HE1 MET 512 HE1 MET 512 14.847 0.041 -5.307 18 HE2 MET 512 HE2 MET 512 15.908 -0.058 -3.902 19 HE3 MET 512 HE3 MET 512 14.168 0.130 -3.682 20 H ALA 513 HN ALA 513 11.561 -2.146 -0.260 21 HA ALA 513 HA ALA 513 9.299 -0.352 -0.226 22 HB1 ALA 513 HB1 ALA 513 9.279 -2.145 1.362 23 HB2 ALA 513 HB2 ALA 513 9.453 -0.624 2.248 24 HB3 ALA 513 HB3 ALA 513 10.856 -1.663 1.995 25 H GLN 514 HN GLN 514 9.937 1.553 -0.959 26 HA GLN 514 HA GLN 514 12.313 2.871 -0.753 27 HB2 GLN 514 HB2 GLN 514 9.544 4.072 -0.816 28 HB3 GLN 514 HB3 GLN 514 11.020 4.972 -1.110 29 HG2 GLN 514 HG2 GLN 514 10.019 2.649 -2.754 30 HG3 GLN 514 HG3 GLN 514 9.914 4.353 -3.195 31 HE21 GLN 514 HE21 GLN 514 11.246 2.107 -4.536 32 HE22 GLN 514 HE22 GLN 514 12.899 2.582 -4.708 33 H ARG 515 HN ARG 515 9.522 3.279 1.378 34 HA ARG 515 HA ARG 515 9.245 4.278 3.382 35 HB2 ARG 515 HB2 ARG 515 12.257 4.050 3.560 36 HB3 ARG 515 HB3 ARG 515 11.210 4.538 4.889 37 HG2 ARG 515 HG2 ARG 515 10.206 2.408 5.012 38 HG3 ARG 515 HG3 ARG 515 10.875 1.920 3.455 39 HD2 ARG 515 HD2 ARG 515 13.093 1.842 4.372 40 HD3 ARG 515 HD3 ARG 515 12.534 2.523 5.899 41 HE ARG 515 HE ARG 515 11.290 0.463 6.266 42 HH11 ARG 515 HH11 ARG 515 13.784 0.383 3.801 43 HH12 ARG 515 HH12 ARG 515 13.957 -1.342 3.855 44 HH21 ARG 515 HH21 ARG 515 11.521 -1.787 6.361 45 HH22 ARG 515 HH22 ARG 515 12.692 -2.588 5.346 46 H LYS 516 HN LYS 516 12.332 5.709 2.323 47 HA LYS 516 HA LYS 516 12.895 7.860 1.730 48 HB2 LYS 516 HB2 LYS 516 10.470 7.201 0.086 49 HB3 LYS 516 HB3 LYS 516 11.448 8.636 -0.207 50 HG2 LYS 516 HG2 LYS 516 12.490 5.813 -0.269 51 HG3 LYS 516 HG3 LYS 516 12.021 6.751 -1.689 52 HD2 LYS 516 HD2 LYS 516 13.727 8.432 -1.103 53 HD3 LYS 516 HD3 LYS 516 14.214 7.434 0.269 54 HE2 LYS 516 HE2 LYS 516 15.711 7.072 -1.604 55 HE3 LYS 516 HE3 LYS 516 14.782 5.611 -1.273 56 HZ1 LYS 516 HZ1 LYS 516 13.308 6.173 -3.098 57 HZ2 LYS 516 HZ2 LYS 516 14.907 6.071 -3.636 58 HZ3 LYS 516 HZ3 LYS 516 14.192 7.584 -3.409 59 H GLY 517 HN GLY 517 11.665 8.172 4.117 60 HA2 GLY 517 HA2 GLY 517 10.902 10.560 4.686 61 HA3 GLY 517 HA1 GLY 517 9.529 10.126 3.668 62 H ALA 518 HN ALA 518 9.222 7.484 4.381 63 HA ALA 518 HA ALA 518 9.146 7.068 7.178 64 HB1 ALA 518 HB1 ALA 518 6.464 7.785 6.005 65 HB2 ALA 518 HB2 ALA 518 7.415 8.847 7.044 66 HB3 ALA 518 HB3 ALA 518 6.808 7.314 7.669 67 H GLY 519 HN GLY 519 7.524 6.358 4.072 68 HA2 GLY 519 HA2 GLY 519 6.501 4.427 3.342 69 HA3 GLY 519 HA1 GLY 519 7.637 3.563 4.375 70 H ARG 520 HN ARG 520 4.428 4.771 4.050 71 HA ARG 520 HA ARG 520 3.755 3.661 6.684 72 HB2 ARG 520 HB2 ARG 520 2.601 6.108 5.343 73 HB3 ARG 520 HB3 ARG 520 1.856 5.320 6.729 74 HG2 ARG 520 HG2 ARG 520 4.153 5.661 7.857 75 HG3 ARG 520 HG3 ARG 520 4.419 6.844 6.574 76 HD2 ARG 520 HD2 ARG 520 3.531 7.951 8.529 77 HD3 ARG 520 HD3 ARG 520 2.333 7.982 7.236 78 HE ARG 520 HE ARG 520 1.889 5.721 8.850 79 HH11 ARG 520 HH11 ARG 520 1.604 9.209 8.983 80 HH12 ARG 520 HH12 ARG 520 0.321 9.183 10.150 81 HH21 ARG 520 HH21 ARG 520 0.221 5.680 10.388 82 HH22 ARG 520 HH22 ARG 520 -0.462 7.171 10.960 83 H VAL 521 HN VAL 521 1.833 2.538 6.852 84 HA VAL 521 HA VAL 521 1.077 1.308 4.327 85 HB VAL 521 HB VAL 521 0.522 0.432 7.163 86 HG11 VAL 521 HG11 VAL 521 -0.104 -1.718 6.178 87 HG12 VAL 521 HG12 VAL 521 0.136 -1.052 4.563 88 HG13 VAL 521 HG13 VAL 521 -1.149 -0.422 5.595 89 HG21 VAL 521 HG21 VAL 521 2.863 0.325 6.752 90 HG22 VAL 521 HG22 VAL 521 2.610 -0.405 5.168 91 HG23 VAL 521 HG23 VAL 521 2.228 -1.317 6.630 92 H VAL 522 HN VAL 522 -0.833 1.450 3.437 93 HA VAL 522 HA VAL 522 -3.027 2.747 4.904 94 HB VAL 522 HB VAL 522 -2.662 2.274 1.938 95 HG11 VAL 522 HG11 VAL 522 -4.993 2.130 2.520 96 HG12 VAL 522 HG12 VAL 522 -4.665 3.628 1.651 97 HG13 VAL 522 HG13 VAL 522 -4.889 3.655 3.400 98 HG21 VAL 522 HG21 VAL 522 -2.601 4.802 3.567 99 HG22 VAL 522 HG22 VAL 522 -2.517 4.718 1.810 100 HG23 VAL 522 HG23 VAL 522 -1.221 4.031 2.789 101 H HIS 523 HN HIS 523 -4.861 1.609 5.361 102 HA HIS 523 HA HIS 523 -4.879 -1.191 4.468 103 HB2 HIS 523 HB2 HIS 523 -5.907 -1.853 6.448 104 HB3 HIS 523 HB3 HIS 523 -4.798 -0.609 6.998 105 HD1 HIS 523 HD1 HIS 523 -5.816 1.348 8.255 106 HD2 HIS 523 HD2 HIS 523 -8.652 -1.037 6.383 107 HE1 HIS 523 HE1 HIS 523 -8.032 2.125 9.136 108 HE2 HIS 523 HE2 HIS 523 -9.701 0.498 8.188 109 H ILE 524 HN ILE 524 -6.566 -1.968 3.358 110 HA ILE 524 HA ILE 524 -8.727 -0.065 2.768 111 HB ILE 524 HB ILE 524 -7.662 -2.338 1.092 112 HG12 ILE 524 HG12 ILE 524 -7.637 0.658 0.678 113 HG13 ILE 524 HG13 ILE 524 -6.254 -0.311 1.168 114 HG21 ILE 524 HG21 ILE 524 -10.028 -2.231 0.756 115 HG22 ILE 524 HG22 ILE 524 -9.243 -1.483 -0.636 116 HG23 ILE 524 HG23 ILE 524 -9.978 -0.473 0.609 117 HD11 ILE 524 HD11 ILE 524 -7.727 -0.616 -1.433 118 HD12 ILE 524 HD12 ILE 524 -6.247 -1.443 -0.944 119 HD13 ILE 524 HD13 ILE 524 -6.236 0.299 -1.212 120 H CYS 525 HN CYS 525 -10.731 -0.559 3.306 121 HA CYS 525 HA CYS 525 -11.229 -3.253 4.377 122 HB2 CYS 525 HB2 CYS 525 -12.776 -2.094 6.004 123 HB3 CYS 525 HB3 CYS 525 -11.062 -1.792 6.247 124 HG CYS 525 HG CYS 525 -11.994 0.582 4.295 125 H ASN 526 HN ASN 526 -13.669 -3.618 4.646 126 HA ASN 526 HA ASN 526 -15.702 -3.957 3.703 127 HB2 ASN 526 HB2 ASN 526 -15.101 -1.322 2.349 128 HB3 ASN 526 HB3 ASN 526 -16.608 -2.198 2.118 129 HD21 ASN 526 HD21 ASN 526 -17.775 -0.488 2.966 130 HD22 ASN 526 HD22 ASN 526 -17.802 -0.141 4.663 131 H LEU 527 HN LEU 527 -13.359 -5.140 2.651 132 HA LEU 527 HA LEU 527 -13.583 -5.032 -0.242 133 HB2 LEU 527 HB2 LEU 527 -11.741 -6.507 1.637 134 HB3 LEU 527 HB1 LEU 527 -11.692 -6.716 -0.103 135 HG LEU 527 HG LEU 527 -11.291 -4.054 1.257 136 HD11 LEU 527 HD11 LEU 527 -9.523 -5.619 1.918 137 HD12 LEU 527 HD12 LEU 527 -8.917 -4.349 0.850 138 HD13 LEU 527 HD13 LEU 527 -9.208 -5.973 0.219 139 HD21 LEU 527 HD21 LEU 527 -12.022 -3.882 -1.032 140 HD22 LEU 527 HD22 LEU 527 -10.797 -5.042 -1.545 141 HD23 LEU 527 HD23 LEU 527 -10.313 -3.464 -0.927 142 HA PRO 528 HA PRO 528 -16.308 -8.640 -0.261 143 HB2 PRO 528 HB2 PRO 528 -16.492 -8.736 -2.989 144 HB3 PRO 528 HB3 PRO 528 -17.491 -7.689 -1.977 145 HG2 PRO 528 HG2 PRO 528 -15.028 -7.029 -3.537 146 HG3 PRO 528 HG3 PRO 528 -16.520 -6.089 -3.344 147 HD2 PRO 528 HD2 PRO 528 -14.265 -5.530 -1.972 148 HD3 PRO 528 HD3 PRO 528 -15.882 -5.266 -1.288 149 H GLU 529 HN GLU 529 -15.677 -10.696 -0.221 150 HA GLU 529 HA GLU 529 -13.038 -11.463 -0.921 151 HB2 GLU 529 HB2 GLU 529 -15.435 -13.111 -0.116 152 HB3 GLU 529 HB3 GLU 529 -13.811 -13.759 -0.313 153 HG2 GLU 529 HG2 GLU 529 -13.001 -12.288 1.452 154 HG3 GLU 529 HG3 GLU 529 -14.621 -11.618 1.642 155 H GLY 530 HN GLY 530 -12.243 -12.285 -2.734 156 HA2 GLY 530 HA2 GLY 530 -12.168 -13.581 -4.657 157 HA3 GLY 530 HA1 GLY 530 -13.900 -13.835 -4.524 158 H SER 531 HN SER 531 -14.088 -10.752 -4.279 159 HA SER 531 HA SER 531 -14.351 -10.371 -7.153 160 HB2 SER 531 HB2 SER 531 -15.186 -8.505 -4.927 161 HB3 SER 531 HB3 SER 531 -15.732 -8.478 -6.603 162 HG SER 531 HG SER 531 -16.240 -10.894 -5.720 163 H CYS 532 HN CYS 532 -12.599 -9.037 -4.406 164 HA CYS 532 HA CYS 532 -11.301 -7.036 -6.053 165 HB2 CYS 532 HB2 CYS 532 -10.808 -7.808 -3.170 166 HB3 CYS 532 HB3 CYS 532 -10.128 -6.406 -3.991 167 HG CYS 532 HG CYS 532 -13.163 -6.839 -2.656 168 H THR 533 HN THR 533 -9.378 -7.264 -7.023 169 HA THR 533 HA THR 533 -7.969 -9.803 -6.587 170 HB THR 533 HB THR 533 -7.017 -9.560 -8.773 171 HG1 THR 533 HG1 THR 533 -8.366 -7.130 -9.275 172 HG21 THR 533 HG21 THR 533 -9.930 -8.778 -8.838 173 HG22 THR 533 HG22 THR 533 -9.285 -10.418 -8.782 174 HG23 THR 533 HG23 THR 533 -9.021 -9.415 -10.207 175 H GLU 534 HN GLU 534 -5.528 -9.636 -6.877 176 HA GLU 534 HA GLU 534 -4.448 -7.855 -5.001 177 HB2 GLU 534 HB2 GLU 534 -2.952 -9.217 -7.249 178 HB3 GLU 534 HB3 GLU 534 -2.280 -8.631 -5.733 179 HG2 GLU 534 HG2 GLU 534 -3.573 -10.296 -4.506 180 HG3 GLU 534 HG3 GLU 534 -4.261 -10.880 -6.021 181 H ASN 535 HN ASN 535 -4.580 -7.781 -8.516 182 HA ASN 535 HA ASN 535 -2.959 -5.531 -8.923 183 HB2 ASN 535 HB2 ASN 535 -5.188 -6.682 -10.606 184 HB3 ASN 535 HB3 ASN 535 -4.139 -5.374 -11.142 185 HD21 ASN 535 HD21 ASN 535 -4.385 -8.762 -10.473 186 HD22 ASN 535 HD22 ASN 535 -2.870 -9.214 -11.169 187 H ASP 536 HN ASP 536 -6.477 -5.803 -8.475 188 HA ASP 536 HA ASP 536 -7.024 -3.098 -9.123 189 HB2 ASP 536 HB2 ASP 536 -8.625 -5.149 -7.602 190 HB3 ASP 536 HB3 ASP 536 -9.209 -3.516 -7.903 191 H VAL 537 HN VAL 537 -6.542 -4.744 -6.031 192 HA VAL 537 HA VAL 537 -7.184 -2.568 -4.369 193 HB VAL 537 HB VAL 537 -5.305 -4.877 -3.833 194 HG11 VAL 537 HG11 VAL 537 -6.693 -3.095 -1.848 195 HG12 VAL 537 HG12 VAL 537 -4.988 -2.977 -2.283 196 HG13 VAL 537 HG13 VAL 537 -5.598 -4.431 -1.494 197 HG21 VAL 537 HG21 VAL 537 -7.554 -5.601 -4.416 198 HG22 VAL 537 HG22 VAL 537 -8.227 -4.522 -3.194 199 HG23 VAL 537 HG23 VAL 537 -7.225 -5.888 -2.706 200 H ILE 538 HN ILE 538 -4.117 -3.636 -5.762 201 HA ILE 538 HA ILE 538 -2.508 -1.619 -4.592 202 HB ILE 538 HB ILE 538 -2.094 -3.198 -7.136 203 HG12 ILE 538 HG12 ILE 538 -0.920 -3.642 -4.386 204 HG13 ILE 538 HG13 ILE 538 -2.337 -4.493 -4.991 205 HG21 ILE 538 HG21 ILE 538 0.273 -2.619 -6.909 206 HG22 ILE 538 HG22 ILE 538 -0.105 -1.606 -5.517 207 HG23 ILE 538 HG23 ILE 538 -0.721 -1.176 -7.113 208 HD11 ILE 538 HD11 ILE 538 -0.350 -5.852 -5.207 209 HD12 ILE 538 HD12 ILE 538 0.428 -4.595 -6.170 210 HD13 ILE 538 HD13 ILE 538 -0.990 -5.435 -6.797 211 H ASN 539 HN ASN 539 -4.299 -1.846 -7.629 212 HA ASN 539 HA ASN 539 -3.298 0.469 -8.857 213 HB2 ASN 539 HB2 ASN 539 -5.815 -1.121 -9.222 214 HB3 ASN 539 HB3 ASN 539 -5.585 0.388 -10.095 215 HD21 ASN 539 HD21 ASN 539 -2.749 0.092 -10.450 216 HD22 ASN 539 HD22 ASN 539 -2.516 -1.167 -11.608 217 H LEU 540 HN LEU 540 -5.781 0.055 -6.439 218 HA LEU 540 HA LEU 540 -7.075 2.542 -6.880 219 HB2 LEU 540 HB2 LEU 540 -6.985 0.846 -4.394 220 HB3 LEU 540 HB1 LEU 540 -8.066 2.200 -4.654 221 HG LEU 540 HG LEU 540 -8.075 -0.458 -6.064 222 HD11 LEU 540 HD11 LEU 540 -9.138 -0.387 -3.885 223 HD12 LEU 540 HD12 LEU 540 -10.339 -0.568 -5.161 224 HD13 LEU 540 HD13 LEU 540 -10.109 0.998 -4.386 225 HD21 LEU 540 HD21 LEU 540 -9.980 0.416 -7.367 226 HD22 LEU 540 HD22 LEU 540 -8.467 1.233 -7.751 227 HD23 LEU 540 HD23 LEU 540 -9.659 2.025 -6.722 228 H GLY 541 HN GLY 541 -4.424 1.543 -4.778 229 HA2 GLY 541 HA2 GLY 541 -4.372 4.032 -3.345 230 HA3 GLY 541 HA1 GLY 541 -3.167 2.756 -3.261 231 H LEU 542 HN LEU 542 -2.682 2.685 -6.088 232 HA LEU 542 HA LEU 542 -0.402 4.179 -6.176 233 HB2 LEU 542 HB2 LEU 542 -2.090 3.141 -8.428 234 HB3 LEU 542 HB1 LEU 542 -0.549 3.926 -8.705 235 HG LEU 542 HG LEU 542 -0.907 1.447 -7.022 236 HD11 LEU 542 HD11 LEU 542 0.097 1.724 -9.848 237 HD12 LEU 542 HD12 LEU 542 -1.449 1.028 -9.372 238 HD13 LEU 542 HD13 LEU 542 0.054 0.240 -8.897 239 HD21 LEU 542 HD21 LEU 542 1.525 1.292 -7.213 240 HD22 LEU 542 HD22 LEU 542 1.037 2.783 -6.411 241 HD23 LEU 542 HD23 LEU 542 1.554 2.817 -8.095 242 HA PRO 543 HA PRO 543 -2.713 7.432 -9.175 243 HB2 PRO 543 HB2 PRO 543 -5.029 7.704 -7.276 244 HB3 PRO 543 HB3 PRO 543 -4.965 8.014 -9.024 245 HG2 PRO 543 HG2 PRO 543 -6.013 5.771 -8.168 246 HG3 PRO 543 HG3 PRO 543 -4.872 5.724 -9.529 247 HD2 PRO 543 HD2 PRO 543 -4.433 4.993 -6.663 248 HD3 PRO 543 HD3 PRO 543 -3.816 4.213 -8.132 249 H PHE 544 HN PHE 544 -3.018 7.619 -5.601 250 HA PHE 544 HA PHE 544 -1.947 10.347 -5.845 251 HB2 PHE 544 HB2 PHE 544 -3.659 9.127 -3.701 252 HB3 PHE 544 HB1 PHE 544 -2.826 10.665 -3.492 253 HD1 PHE 544 HD1 PHE 544 -5.460 8.897 -5.333 254 HD2 PHE 544 HD2 PHE 544 -3.565 12.640 -4.626 255 HE1 PHE 544 HE1 PHE 544 -7.331 10.050 -6.440 256 HE2 PHE 544 HE2 PHE 544 -5.430 13.799 -5.731 257 HZ PHE 544 HZ PHE 544 -7.269 12.499 -6.721 258 H GLY 545 HN GLY 545 -1.216 7.227 -4.683 259 HA2 GLY 545 HA2 GLY 545 1.398 8.229 -3.853 260 HA3 GLY 545 HA1 GLY 545 0.470 7.309 -2.675 261 H LYS 546 HN LYS 546 3.065 6.851 -4.245 262 HA LYS 546 HA LYS 546 2.527 4.579 -5.908 263 HB2 LYS 546 HB2 LYS 546 4.429 5.984 -6.412 264 HB3 LYS 546 HB3 LYS 546 5.108 5.706 -4.815 265 HG2 LYS 546 HG2 LYS 546 6.321 4.363 -6.344 266 HG3 LYS 546 HG3 LYS 546 5.288 3.278 -5.407 267 HD2 LYS 546 HD2 LYS 546 3.653 3.315 -7.275 268 HD3 LYS 546 HD3 LYS 546 4.795 4.279 -8.212 269 HE2 LYS 546 HE2 LYS 546 5.239 1.491 -7.150 270 HE3 LYS 546 HE3 LYS 546 4.969 1.940 -8.832 271 HZ1 LYS 546 HZ1 LYS 546 7.305 1.576 -8.383 272 HZ2 LYS 546 HZ2 LYS 546 7.291 2.757 -7.176 273 HZ3 LYS 546 HZ3 LYS 546 7.033 3.193 -8.789 274 H VAL 547 HN VAL 547 2.895 2.457 -5.501 275 HA VAL 547 HA VAL 547 3.016 1.640 -2.703 276 HB VAL 547 HB VAL 547 2.238 0.125 -5.203 277 HG11 VAL 547 HG11 VAL 547 3.211 -1.364 -3.548 278 HG12 VAL 547 HG12 VAL 547 1.473 -1.638 -3.690 279 HG13 VAL 547 HG13 VAL 547 2.116 -0.735 -2.318 280 HG21 VAL 547 HG21 VAL 547 0.628 1.842 -4.587 281 HG22 VAL 547 HG22 VAL 547 0.560 1.208 -2.944 282 HG23 VAL 547 HG23 VAL 547 -0.030 0.235 -4.289 283 H THR 548 HN THR 548 4.680 0.432 -1.902 284 HA THR 548 HA THR 548 6.891 -0.156 -3.753 285 HB THR 548 HB THR 548 8.345 -0.264 -1.824 286 HG1 THR 548 HG1 THR 548 6.544 0.613 0.047 287 HG21 THR 548 HG21 THR 548 8.151 2.030 -0.968 288 HG22 THR 548 HG22 THR 548 6.526 2.138 -1.644 289 HG23 THR 548 HG23 THR 548 7.916 1.970 -2.716 290 H ASN 549 HN ASN 549 4.826 -1.582 -1.282 291 HA ASN 549 HA ASN 549 5.044 -4.173 -2.471 292 HB2 ASN 549 HB2 ASN 549 5.949 -5.389 -0.647 293 HB3 ASN 549 HB3 ASN 549 7.067 -4.066 -0.949 294 HD21 ASN 549 HD21 ASN 549 7.068 -2.300 0.545 295 HD22 ASN 549 HD22 ASN 549 6.503 -2.531 2.160 296 H TYR 550 HN TYR 550 3.593 -5.763 -1.149 297 HA TYR 550 HA TYR 550 1.541 -4.311 0.334 298 HB2 TYR 550 HB2 TYR 550 -0.275 -5.259 -1.032 299 HB3 TYR 550 HB3 TYR 550 0.769 -4.202 -1.972 300 HD1 TYR 550 HD1 TYR 550 -0.567 -7.538 -1.625 301 HD2 TYR 550 HD2 TYR 550 2.417 -5.214 -3.569 302 HE1 TYR 550 HE1 TYR 550 -0.272 -9.322 -3.290 303 HE2 TYR 550 HE2 TYR 550 2.720 -6.991 -5.239 304 HH TYR 550 HH TYR 550 2.355 -9.419 -5.429 305 H ILE 551 HN ILE 551 0.240 -5.584 1.668 306 HA ILE 551 HA ILE 551 0.870 -8.457 1.760 307 HB ILE 551 HB ILE 551 0.475 -6.623 4.142 308 HG12 ILE 551 HG12 ILE 551 2.788 -8.379 3.288 309 HG13 ILE 551 HG13 ILE 551 2.755 -6.621 3.247 310 HG21 ILE 551 HG21 ILE 551 -0.749 -8.685 4.506 311 HG22 ILE 551 HG22 ILE 551 0.689 -8.646 5.525 312 HG23 ILE 551 HG23 ILE 551 0.671 -9.633 4.063 313 HD11 ILE 551 HD11 ILE 551 2.576 -6.590 5.695 314 HD12 ILE 551 HD12 ILE 551 4.034 -7.410 5.139 315 HD13 ILE 551 HD13 ILE 551 2.655 -8.351 5.709 316 H LEU 552 HN LEU 552 -0.875 -9.662 1.478 317 HA LEU 552 HA LEU 552 -3.488 -8.355 1.756 318 HB2 LEU 552 HB2 LEU 552 -2.430 -10.371 -0.190 319 HB3 LEU 552 HB1 LEU 552 -4.156 -10.197 0.072 320 HG LEU 552 HG LEU 552 -2.384 -7.891 -0.727 321 HD11 LEU 552 HD11 LEU 552 -3.256 -8.206 -2.992 322 HD12 LEU 552 HD12 LEU 552 -4.086 -9.674 -2.474 323 HD13 LEU 552 HD13 LEU 552 -2.323 -9.611 -2.475 324 HD21 LEU 552 HD21 LEU 552 -4.413 -7.194 0.298 325 HD22 LEU 552 HD22 LEU 552 -5.357 -8.341 -0.654 326 HD23 LEU 552 HD23 LEU 552 -4.578 -6.963 -1.443 327 H MET 553 HN MET 553 -4.498 -9.000 3.526 328 HA MET 553 HA MET 553 -4.285 -11.832 4.275 329 HB2 MET 553 HB2 MET 553 -5.031 -9.433 5.957 330 HB3 MET 553 HB3 MET 553 -5.067 -11.100 6.524 331 HG2 MET 553 HG2 MET 553 -2.675 -11.298 6.129 332 HG3 MET 553 HG3 MET 553 -2.631 -9.641 5.531 333 HE1 MET 553 HE1 MET 553 -0.722 -9.353 8.900 334 HE2 MET 553 HE2 MET 553 -0.677 -9.092 7.156 335 HE3 MET 553 HE3 MET 553 -0.697 -10.733 7.802 336 H LYS 554 HN LYS 554 -5.800 -12.527 2.808 337 HA LYS 554 HA LYS 554 -8.402 -11.441 2.544 338 HB2 LYS 554 HB2 LYS 554 -7.355 -14.198 1.874 339 HB3 LYS 554 HB3 LYS 554 -8.894 -13.542 1.335 340 HG2 LYS 554 HG2 LYS 554 -6.290 -12.186 0.696 341 HG3 LYS 554 HG3 LYS 554 -6.943 -13.487 -0.305 342 HD2 LYS 554 HD2 LYS 554 -9.022 -12.161 -0.575 343 HD3 LYS 554 HD3 LYS 554 -8.258 -10.846 0.326 344 HE2 LYS 554 HE2 LYS 554 -6.515 -10.674 -1.352 345 HE3 LYS 554 HE3 LYS 554 -7.189 -12.049 -2.226 346 HZ1 LYS 554 HZ1 LYS 554 -8.486 -9.413 -1.825 347 HZ2 LYS 554 HZ2 LYS 554 -9.213 -10.738 -2.579 348 HZ3 LYS 554 HZ3 LYS 554 -7.853 -10.016 -3.272 349 H SER 555 HN SER 555 -6.953 -13.774 4.664 350 HA SER 555 HA SER 555 -9.266 -15.055 5.602 351 HB2 SER 555 HB2 SER 555 -7.811 -15.704 7.530 352 HB3 SER 555 HB3 SER 555 -7.085 -16.022 5.955 353 HG SER 555 HG SER 555 -6.203 -14.434 7.960 354 H THR 556 HN THR 556 -7.851 -11.962 6.422 355 HA THR 556 HA THR 556 -9.777 -11.697 8.620 356 HB THR 556 HB THR 556 -8.504 -9.683 9.284 357 HG1 THR 556 HG1 THR 556 -7.637 -9.368 7.058 358 HG21 THR 556 HG21 THR 556 -6.822 -12.168 8.967 359 HG22 THR 556 HG22 THR 556 -7.954 -11.843 10.279 360 HG23 THR 556 HG23 THR 556 -6.507 -10.850 10.096 361 H ASN 557 HN ASN 557 -9.908 -11.325 5.497 362 HA ASN 557 HA ASN 557 -11.064 -10.054 3.996 363 HB2 ASN 557 HB2 ASN 557 -12.480 -9.061 6.479 364 HB3 ASN 557 HB3 ASN 557 -13.063 -8.885 4.830 365 HD21 ASN 557 HD21 ASN 557 -14.081 -10.546 3.860 366 HD22 ASN 557 HD22 ASN 557 -14.447 -12.046 4.637 367 H GLN 558 HN GLN 558 -8.617 -8.974 4.683 368 HA GLN 558 HA GLN 558 -9.137 -6.097 4.578 369 HB2 GLN 558 HB2 GLN 558 -7.333 -7.455 6.586 370 HB3 GLN 558 HB3 GLN 558 -7.300 -5.730 6.255 371 HG2 GLN 558 HG2 GLN 558 -9.817 -7.116 7.119 372 HG3 GLN 558 HG3 GLN 558 -8.616 -6.549 8.284 373 HE21 GLN 558 HE21 GLN 558 -8.273 -4.347 8.531 374 HE22 GLN 558 HE22 GLN 558 -9.413 -3.171 7.973 375 H ALA 559 HN ALA 559 -7.422 -4.875 3.685 376 HA ALA 559 HA ALA 559 -5.201 -6.437 2.551 377 HB1 ALA 559 HB1 ALA 559 -6.705 -4.249 1.116 378 HB2 ALA 559 HB2 ALA 559 -6.869 -5.975 0.796 379 HB3 ALA 559 HB3 ALA 559 -5.331 -5.163 0.490 380 H PHE 560 HN PHE 560 -3.219 -5.416 2.529 381 HA PHE 560 HA PHE 560 -3.123 -2.739 3.739 382 HB2 PHE 560 HB2 PHE 560 -1.202 -5.006 4.315 383 HB3 PHE 560 HB1 PHE 560 -1.192 -3.404 5.051 384 HD1 PHE 560 HD1 PHE 560 -2.366 -6.737 5.317 385 HD2 PHE 560 HD2 PHE 560 -3.291 -2.719 6.369 386 HE1 PHE 560 HE1 PHE 560 -3.879 -7.549 7.077 387 HE2 PHE 560 HE2 PHE 560 -4.803 -3.525 8.133 388 HZ PHE 560 HZ PHE 560 -5.096 -5.942 8.485 389 H LEU 561 HN LEU 561 -1.892 -1.312 2.706 390 HA LEU 561 HA LEU 561 -0.235 -2.297 0.477 391 HB2 LEU 561 HB2 LEU 561 -2.575 -1.367 -0.041 392 HB3 LEU 561 HB1 LEU 561 -1.918 0.192 0.402 393 HG LEU 561 HG LEU 561 -0.277 0.023 -1.417 394 HD11 LEU 561 HD11 LEU 561 -0.518 -1.770 -3.084 395 HD12 LEU 561 HD12 LEU 561 -1.692 -2.567 -2.035 396 HD13 LEU 561 HD13 LEU 561 -0.018 -2.381 -1.510 397 HD21 LEU 561 HD21 LEU 561 -3.138 -0.441 -2.256 398 HD22 LEU 561 HD22 LEU 561 -1.872 0.249 -3.271 399 HD23 LEU 561 HD23 LEU 561 -2.414 1.110 -1.831 400 H GLU 562 HN GLU 562 1.737 -1.312 0.248 401 HA GLU 562 HA GLU 562 2.487 0.590 2.358 402 HB2 GLU 562 HB2 GLU 562 3.762 -1.507 2.227 403 HB3 GLU 562 HB3 GLU 562 4.197 -1.138 0.563 404 HG2 GLU 562 HG2 GLU 562 6.038 -0.663 2.041 405 HG3 GLU 562 HG3 GLU 562 5.426 0.828 1.329 406 H MET 563 HN MET 563 3.391 2.554 1.919 407 HA MET 563 HA MET 563 3.318 3.344 -0.916 408 HB2 MET 563 HB2 MET 563 2.517 4.853 1.553 409 HB3 MET 563 HB3 MET 563 2.878 5.682 0.043 410 HG2 MET 563 HG2 MET 563 0.527 5.370 0.181 411 HG3 MET 563 HG3 MET 563 1.150 4.300 -1.068 412 HE1 MET 563 HE1 MET 563 -0.756 2.577 -1.237 413 HE2 MET 563 HE2 MET 563 -1.665 3.751 -0.285 414 HE3 MET 563 HE3 MET 563 -1.695 2.045 0.156 415 H ALA 564 HN ALA 564 4.856 4.555 -1.776 416 HA ALA 564 HA ALA 564 7.467 4.091 -0.872 417 HB1 ALA 564 HB1 ALA 564 8.163 5.430 -2.790 418 HB2 ALA 564 HB2 ALA 564 6.508 6.001 -2.994 419 HB3 ALA 564 HB3 ALA 564 6.887 4.294 -3.225 420 H TYR 565 HN TYR 565 5.382 6.866 -0.506 421 HA TYR 565 HA TYR 565 7.498 8.158 1.069 422 HB2 TYR 565 HB2 TYR 565 5.591 9.539 -0.836 423 HB3 TYR 565 HB3 TYR 565 6.684 10.363 0.268 424 HD1 TYR 565 HD1 TYR 565 6.385 8.583 -2.890 425 HD2 TYR 565 HD2 TYR 565 9.115 10.320 -0.129 426 HE1 TYR 565 HE1 TYR 565 8.137 8.558 -4.613 427 HE2 TYR 565 HE2 TYR 565 10.874 10.297 -1.846 428 HH TYR 565 HH TYR 565 10.244 9.807 -5.110 429 H THR 566 HN THR 566 6.740 9.476 2.792 430 HA THR 566 HA THR 566 4.468 8.525 4.144 431 HB THR 566 HB THR 566 6.336 9.592 5.333 432 HG1 THR 566 HG1 THR 566 4.936 11.056 6.636 433 HG21 THR 566 HG21 THR 566 6.565 12.033 5.376 434 HG22 THR 566 HG22 THR 566 5.328 12.169 4.126 435 HG23 THR 566 HG23 THR 566 6.865 11.381 3.766 436 H GLU 567 HN GLU 567 4.969 11.289 2.046 437 HA GLU 567 HA GLU 567 2.439 12.498 2.386 438 HB2 GLU 567 HB2 GLU 567 2.982 13.624 0.208 439 HB3 GLU 567 HB3 GLU 567 4.215 13.801 1.449 440 HG2 GLU 567 HG2 GLU 567 5.556 12.077 0.401 441 HG3 GLU 567 HG3 GLU 567 4.304 11.810 -0.810 442 H ALA 568 HN ALA 568 3.616 9.946 0.348 443 HA ALA 568 HA ALA 568 1.515 9.885 -1.510 444 HB1 ALA 568 HB1 ALA 568 3.644 8.745 -1.859 445 HB2 ALA 568 HB2 ALA 568 2.298 7.616 -2.007 446 HB3 ALA 568 HB3 ALA 568 3.277 7.634 -0.541 447 H ALA 569 HN ALA 569 1.999 8.163 1.551 448 HA ALA 569 HA ALA 569 -0.370 6.620 1.374 449 HB1 ALA 569 HB1 ALA 569 0.070 5.986 3.637 450 HB2 ALA 569 HB2 ALA 569 1.131 7.375 3.871 451 HB3 ALA 569 HB3 ALA 569 1.610 6.075 2.783 452 H GLN 570 HN GLN 570 0.401 9.633 3.090 453 HA GLN 570 HA GLN 570 -2.131 9.805 4.368 454 HB2 GLN 570 HB2 GLN 570 -0.035 11.924 3.875 455 HB3 GLN 570 HB3 GLN 570 -1.436 12.124 4.921 456 HG2 GLN 570 HG2 GLN 570 -0.643 10.332 6.355 457 HG3 GLN 570 HG3 GLN 570 0.744 10.083 5.295 458 HE21 GLN 570 HE21 GLN 570 2.388 11.605 5.258 459 HE22 GLN 570 HE22 GLN 570 2.583 12.779 6.513 460 H ALA 571 HN ALA 571 -0.764 11.358 1.481 461 HA ALA 571 HA ALA 571 -2.866 13.169 1.055 462 HB1 ALA 571 HB1 ALA 571 -1.971 13.408 -1.216 463 HB2 ALA 571 HB2 ALA 571 -0.950 11.990 -0.956 464 HB3 ALA 571 HB3 ALA 571 -0.696 13.450 0.004 465 H MET 572 HN MET 572 -2.362 9.874 -0.124 466 HA MET 572 HA MET 572 -4.506 9.936 -1.965 467 HB2 MET 572 HB2 MET 572 -4.208 7.603 -2.235 468 HB3 MET 572 HB3 MET 572 -2.609 8.272 -1.969 469 HG2 MET 572 HG2 MET 572 -2.520 7.427 0.237 470 HG3 MET 572 HG3 MET 572 -4.237 7.025 0.223 471 HE1 MET 572 HE1 MET 572 -1.019 4.849 -2.235 472 HE2 MET 572 HE2 MET 572 -0.716 6.224 -1.171 473 HE3 MET 572 HE3 MET 572 -1.628 6.447 -2.663 474 H VAL 573 HN VAL 573 -4.273 8.822 1.386 475 HA VAL 573 HA VAL 573 -6.861 7.697 1.442 476 HB VAL 573 HB VAL 573 -5.064 8.532 3.716 477 HG11 VAL 573 HG11 VAL 573 -6.542 6.992 5.047 478 HG12 VAL 573 HG12 VAL 573 -7.673 7.029 3.695 479 HG13 VAL 573 HG13 VAL 573 -7.291 8.515 4.568 480 HG21 VAL 573 HG21 VAL 573 -4.147 6.765 2.332 481 HG22 VAL 573 HG22 VAL 573 -5.668 5.874 2.426 482 HG23 VAL 573 HG23 VAL 573 -4.685 6.094 3.875 483 H GLN 574 HN GLN 574 -5.623 10.894 2.271 484 HA GLN 574 HA GLN 574 -7.942 11.876 3.495 485 HB2 GLN 574 HB2 GLN 574 -5.930 13.366 1.800 486 HB3 GLN 574 HB3 GLN 574 -7.128 14.123 2.841 487 HG2 GLN 574 HG2 GLN 574 -6.097 13.078 4.791 488 HG3 GLN 574 HG3 GLN 574 -4.900 12.313 3.749 489 HE21 GLN 574 HE21 GLN 574 -6.103 15.558 3.282 490 HE22 GLN 574 HE22 GLN 574 -4.626 16.365 3.677 491 H TYR 575 HN TYR 575 -7.012 11.647 0.102 492 HA TYR 575 HA TYR 575 -9.410 12.775 -0.929 493 HB2 TYR 575 HB2 TYR 575 -7.332 12.569 -2.264 494 HB3 TYR 575 HB3 TYR 575 -7.527 10.819 -2.256 495 HD1 TYR 575 HD1 TYR 575 -8.993 13.985 -3.468 496 HD2 TYR 575 HD2 TYR 575 -9.020 9.744 -3.766 497 HE1 TYR 575 HE1 TYR 575 -10.383 14.143 -5.486 498 HE2 TYR 575 HE2 TYR 575 -10.412 9.889 -5.787 499 HH TYR 575 HH TYR 575 -12.001 11.487 -6.812 500 H TYR 576 HN TYR 576 -8.376 9.417 -0.350 501 HA TYR 576 HA TYR 576 -10.737 8.328 -1.516 502 HB2 TYR 576 HB2 TYR 576 -8.701 6.989 0.263 503 HB3 TYR 576 HB3 TYR 576 -9.940 6.166 -0.678 504 HD1 TYR 576 HD1 TYR 576 -6.783 6.043 -0.713 505 HD2 TYR 576 HD2 TYR 576 -9.714 7.872 -3.190 506 HE1 TYR 576 HE1 TYR 576 -5.236 5.939 -2.610 507 HE2 TYR 576 HE2 TYR 576 -8.168 7.779 -5.099 508 HH TYR 576 HH TYR 576 -5.479 5.886 -5.189 509 H GLN 577 HN GLN 577 -10.075 9.510 1.645 510 HA GLN 577 HA GLN 577 -12.193 8.041 2.901 511 HB2 GLN 577 HB2 GLN 577 -10.599 10.465 3.706 512 HB3 GLN 577 HB3 GLN 577 -11.960 9.896 4.668 513 HG2 GLN 577 HG2 GLN 577 -10.837 7.749 4.950 514 HG3 GLN 577 HG3 GLN 577 -9.486 8.332 3.975 515 HE21 GLN 577 HE21 GLN 577 -9.469 7.428 6.722 516 HE22 GLN 577 HE22 GLN 577 -8.885 8.743 7.669 517 H GLU 578 HN GLU 578 -11.924 10.984 1.090 518 HA GLU 578 HA GLU 578 -14.650 11.787 1.780 519 HB2 GLU 578 HB2 GLU 578 -12.604 13.205 0.062 520 HB3 GLU 578 HB3 GLU 578 -14.122 13.875 0.645 521 HG2 GLU 578 HG2 GLU 578 -11.898 12.967 2.451 522 HG3 GLU 578 HG3 GLU 578 -12.080 14.619 1.869 523 H LYS 579 HN LYS 579 -12.642 10.892 -0.979 524 HA LYS 579 HA LYS 579 -15.099 10.169 -2.446 525 HB2 LYS 579 HB2 LYS 579 -12.578 11.339 -3.649 526 HB3 LYS 579 HB3 LYS 579 -13.997 10.814 -4.544 527 HG2 LYS 579 HG2 LYS 579 -15.327 12.552 -3.430 528 HG3 LYS 579 HG3 LYS 579 -13.883 13.089 -2.572 529 HD2 LYS 579 HD2 LYS 579 -14.247 14.525 -4.468 530 HD3 LYS 579 HD3 LYS 579 -12.810 13.546 -4.761 531 HE2 LYS 579 HE2 LYS 579 -14.177 13.674 -6.765 532 HE3 LYS 579 HE3 LYS 579 -14.139 12.023 -6.151 533 HZ1 LYS 579 HZ1 LYS 579 -16.346 13.967 -5.733 534 HZ2 LYS 579 HZ2 LYS 579 -16.314 12.377 -5.166 535 HZ3 LYS 579 HZ3 LYS 579 -16.363 12.677 -6.826 536 HA PRO 580 HA PRO 580 -12.302 6.574 -1.700 537 HB2 PRO 580 HB2 PRO 580 -14.848 5.112 -1.500 538 HB3 PRO 580 HB3 PRO 580 -13.522 5.239 -0.332 539 HG2 PRO 580 HG2 PRO 580 -15.875 6.461 0.098 540 HG3 PRO 580 HG3 PRO 580 -14.337 7.212 0.582 541 HD2 PRO 580 HD2 PRO 580 -16.012 7.738 -1.853 542 HD3 PRO 580 HD3 PRO 580 -15.251 8.897 -0.739 543 H ALA 581 HN ALA 581 -12.025 4.545 -2.846 544 HA ALA 581 HA ALA 581 -12.674 4.978 -5.658 545 HB1 ALA 581 HB1 ALA 581 -10.730 3.013 -4.447 546 HB2 ALA 581 HB2 ALA 581 -10.317 4.651 -4.954 547 HB3 ALA 581 HB3 ALA 581 -10.862 3.471 -6.146 548 H ILE 582 HN ILE 582 -13.310 3.158 -7.015 549 HA ILE 582 HA ILE 582 -15.215 1.503 -5.500 550 HB ILE 582 HB ILE 582 -15.545 2.746 -8.233 551 HG12 ILE 582 HG12 ILE 582 -16.887 3.290 -5.582 552 HG13 ILE 582 HG13 ILE 582 -15.755 4.347 -6.400 553 HG21 ILE 582 HG21 ILE 582 -17.807 1.846 -8.194 554 HG22 ILE 582 HG22 ILE 582 -17.480 1.060 -6.650 555 HG23 ILE 582 HG23 ILE 582 -16.617 0.549 -8.101 556 HD11 ILE 582 HD11 ILE 582 -18.459 3.564 -7.448 557 HD12 ILE 582 HD12 ILE 582 -17.333 4.700 -8.193 558 HD13 ILE 582 HD13 ILE 582 -18.073 5.081 -6.637 559 H ILE 583 HN ILE 583 -15.030 -0.608 -5.675 560 HA ILE 583 HA ILE 583 -14.009 -1.713 -8.213 561 HB ILE 583 HB ILE 583 -13.621 -2.805 -5.425 562 HG12 ILE 583 HG12 ILE 583 -11.699 -1.967 -7.604 563 HG13 ILE 583 HG13 ILE 583 -11.964 -1.164 -6.060 564 HG21 ILE 583 HG21 ILE 583 -13.054 -4.179 -8.049 565 HG22 ILE 583 HG22 ILE 583 -14.269 -4.647 -6.859 566 HG23 ILE 583 HG23 ILE 583 -12.554 -4.761 -6.461 567 HD11 ILE 583 HD11 ILE 583 -11.043 -3.097 -4.893 568 HD12 ILE 583 HD12 ILE 583 -9.894 -2.446 -6.061 569 HD13 ILE 583 HD13 ILE 583 -10.796 -3.913 -6.435 570 H ASN 584 HN ASN 584 -15.435 -2.875 -9.301 571 HA ASN 584 HA ASN 584 -17.286 -4.047 -9.871 572 HB2 ASN 584 HB2 ASN 584 -16.914 -5.098 -7.067 573 HB3 ASN 584 HB3 ASN 584 -18.138 -5.721 -8.168 574 HD21 ASN 584 HD21 ASN 584 -17.184 -7.755 -8.111 575 HD22 ASN 584 HD22 ASN 584 -15.733 -8.103 -8.985 576 H GLY 585 HN GLY 585 -17.655 -1.389 -8.881 577 HA2 GLY 585 HA2 GLY 585 -19.535 -0.052 -8.648 578 HA3 GLY 585 HA1 GLY 585 -20.503 -1.501 -8.423 579 H GLU 586 HN GLU 586 -17.899 -1.678 -6.374 580 HA GLU 586 HA GLU 586 -19.546 -0.698 -4.149 581 HB2 GLU 586 HB2 GLU 586 -17.250 -2.663 -4.079 582 HB3 GLU 586 HB3 GLU 586 -18.315 -2.246 -2.739 583 HG2 GLU 586 HG2 GLU 586 -20.221 -3.127 -4.086 584 HG3 GLU 586 HG3 GLU 586 -19.037 -3.696 -5.264 585 H LYS 587 HN LYS 587 -18.889 0.988 -3.008 586 HA LYS 587 HA LYS 587 -16.402 2.281 -3.680 587 HB2 LYS 587 HB2 LYS 587 -18.534 3.014 -1.664 588 HB3 LYS 587 HB3 LYS 587 -17.150 4.018 -2.075 589 HG2 LYS 587 HG2 LYS 587 -17.949 4.258 -4.343 590 HG3 LYS 587 HG3 LYS 587 -19.287 3.155 -4.016 591 HD2 LYS 587 HD2 LYS 587 -20.091 5.424 -3.929 592 HD3 LYS 587 HD3 LYS 587 -20.115 4.741 -2.304 593 HE2 LYS 587 HE2 LYS 587 -19.269 6.996 -2.211 594 HE3 LYS 587 HE3 LYS 587 -17.968 5.871 -1.834 595 HZ1 LYS 587 HZ1 LYS 587 -17.099 6.145 -4.048 596 HZ2 LYS 587 HZ2 LYS 587 -17.292 7.668 -3.346 597 HZ3 LYS 587 HZ3 LYS 587 -18.402 7.121 -4.489 598 H LEU 588 HN LEU 588 -14.594 1.526 -2.846 599 HA LEU 588 HA LEU 588 -14.568 0.211 -0.258 600 HB2 LEU 588 HB2 LEU 588 -12.302 0.826 -2.150 601 HB3 LEU 588 HB1 LEU 588 -12.203 -0.182 -0.720 602 HG LEU 588 HG LEU 588 -13.730 -0.782 -3.246 603 HD11 LEU 588 HD11 LEU 588 -11.268 -1.911 -1.943 604 HD12 LEU 588 HD12 LEU 588 -11.396 -1.116 -3.511 605 HD13 LEU 588 HD13 LEU 588 -12.128 -2.703 -3.266 606 HD21 LEU 588 HD21 LEU 588 -14.993 -1.584 -1.325 607 HD22 LEU 588 HD22 LEU 588 -13.548 -2.356 -0.675 608 HD23 LEU 588 HD23 LEU 588 -14.256 -2.938 -2.182 609 H LEU 589 HN LEU 589 -14.078 1.190 1.573 610 HA LEU 589 HA LEU 589 -13.162 3.924 1.519 611 HB2 LEU 589 HB2 LEU 589 -14.892 3.048 3.130 612 HB3 LEU 589 HB1 LEU 589 -13.615 2.137 3.910 613 HG LEU 589 HG LEU 589 -12.472 4.223 4.506 614 HD11 LEU 589 HD11 LEU 589 -14.834 5.556 3.192 615 HD12 LEU 589 HD12 LEU 589 -13.154 5.629 2.661 616 HD13 LEU 589 HD13 LEU 589 -13.630 6.374 4.186 617 HD21 LEU 589 HD21 LEU 589 -15.381 4.148 5.295 618 HD22 LEU 589 HD22 LEU 589 -14.110 5.027 6.143 619 HD23 LEU 589 HD23 LEU 589 -14.065 3.266 6.070 620 H ILE 590 HN ILE 590 -11.101 4.231 1.106 621 HA ILE 590 HA ILE 590 -9.084 2.319 2.019 622 HB ILE 590 HB ILE 590 -8.780 4.782 0.280 623 HG12 ILE 590 HG12 ILE 590 -8.990 1.879 -0.524 624 HG13 ILE 590 HG13 ILE 590 -10.187 3.127 -0.814 625 HG21 ILE 590 HG21 ILE 590 -6.868 2.524 0.836 626 HG22 ILE 590 HG22 ILE 590 -6.705 4.196 1.367 627 HG23 ILE 590 HG23 ILE 590 -6.613 3.802 -0.350 628 HD11 ILE 590 HD11 ILE 590 -8.924 2.668 -2.830 629 HD12 ILE 590 HD12 ILE 590 -7.417 3.031 -1.992 630 HD13 ILE 590 HD13 ILE 590 -8.599 4.309 -2.269 631 H ARG 591 HN ARG 591 -8.078 2.677 3.912 632 HA ARG 591 HA ARG 591 -8.053 5.440 4.954 633 HB2 ARG 591 HB2 ARG 591 -8.897 2.962 6.446 634 HB3 ARG 591 HB3 ARG 591 -8.596 4.518 7.206 635 HG2 ARG 591 HG2 ARG 591 -10.349 5.430 5.575 636 HG3 ARG 591 HG3 ARG 591 -10.784 3.737 5.328 637 HD2 ARG 591 HD2 ARG 591 -12.178 4.788 7.047 638 HD3 ARG 591 HD3 ARG 591 -11.202 3.478 7.710 639 HE ARG 591 HE ARG 591 -9.729 5.158 8.652 640 HH11 ARG 591 HH11 ARG 591 -12.866 6.276 7.564 641 HH12 ARG 591 HH12 ARG 591 -12.828 7.710 8.534 642 HH21 ARG 591 HH21 ARG 591 -9.687 7.042 9.935 643 HH22 ARG 591 HH22 ARG 591 -11.033 8.136 9.899 644 H MET 592 HN MET 592 -6.574 5.873 6.665 645 HA MET 592 HA MET 592 -3.972 4.844 6.204 646 HB2 MET 592 HB2 MET 592 -5.004 6.501 8.523 647 HB3 MET 592 HB3 MET 592 -3.315 6.259 8.119 648 HG2 MET 592 HG2 MET 592 -4.967 7.379 5.953 649 HG3 MET 592 HG3 MET 592 -4.788 8.393 7.381 650 HE1 MET 592 HE1 MET 592 -1.095 6.783 5.099 651 HE2 MET 592 HE2 MET 592 -2.743 6.311 4.693 652 HE3 MET 592 HE3 MET 592 -2.040 5.813 6.231 653 H SER 593 HN SER 593 -2.848 3.240 7.251 654 HA SER 593 HA SER 593 -4.301 1.662 9.214 655 HB2 SER 593 HB2 SER 593 -3.078 0.492 7.427 656 HB3 SER 593 HB3 SER 593 -1.570 1.221 7.976 657 HG SER 593 HG SER 593 -3.087 -0.831 9.113 658 H THR 594 HN THR 594 -4.083 1.952 11.335 659 HA THR 594 HA THR 594 -1.690 3.308 12.322 660 HB THR 594 HB THR 594 -3.863 4.174 13.121 661 HG1 THR 594 HG1 THR 594 -1.772 3.905 14.470 662 HG21 THR 594 HG21 THR 594 -5.155 2.839 14.749 663 HG22 THR 594 HG22 THR 594 -4.124 1.452 14.397 664 HG23 THR 594 HG23 THR 594 -5.156 2.126 13.138 665 H ARG 595 HN ARG 595 -3.014 0.237 11.910 666 HA ARG 595 HA ARG 595 -1.806 -1.037 14.179 667 HB2 ARG 595 HB2 ARG 595 -3.040 -2.157 11.660 668 HB3 ARG 595 HB3 ARG 595 -2.396 -3.158 12.952 669 HG2 ARG 595 HG2 ARG 595 -4.011 -2.075 14.508 670 HG3 ARG 595 HG3 ARG 595 -4.717 -1.249 13.117 671 HD2 ARG 595 HD2 ARG 595 -5.960 -3.286 13.715 672 HD3 ARG 595 HD3 ARG 595 -5.270 -3.379 12.096 673 HE ARG 595 HE ARG 595 -3.432 -4.517 13.847 674 HH11 ARG 595 HH11 ARG 595 -6.706 -5.160 12.785 675 HH12 ARG 595 HH12 ARG 595 -6.551 -6.879 12.939 676 HH21 ARG 595 HH21 ARG 595 -3.219 -6.775 14.040 677 HH22 ARG 595 HH22 ARG 595 -4.567 -7.801 13.656 678 H TYR 596 HN TYR 596 -1.009 -0.630 10.762 679 HA TYR 596 HA TYR 596 1.624 -1.835 11.311 680 HB2 TYR 596 HB2 TYR 596 0.232 -1.379 8.660 681 HB3 TYR 596 HB3 TYR 596 1.840 -2.065 8.854 682 HD1 TYR 596 HD1 TYR 596 2.129 -4.356 9.264 683 HD2 TYR 596 HD2 TYR 596 -1.755 -2.654 9.569 684 HE1 TYR 596 HE1 TYR 596 1.165 -6.608 9.433 685 HE2 TYR 596 HE2 TYR 596 -2.732 -4.905 9.743 686 HH TYR 596 HH TYR 596 -0.883 -7.662 10.341 687 H LYS 597 HN LYS 597 3.357 -0.547 11.273 688 HA LYS 597 HA LYS 597 3.055 2.205 10.365 689 HB2 LYS 597 HB2 LYS 597 5.266 2.577 11.330 690 HB3 LYS 597 HB3 LYS 597 4.204 1.806 12.498 691 HG2 LYS 597 HG2 LYS 597 5.258 -0.358 11.997 692 HG3 LYS 597 HG3 LYS 597 6.357 0.457 10.882 693 HD2 LYS 597 HD2 LYS 597 7.198 1.831 12.733 694 HD3 LYS 597 HD3 LYS 597 6.112 0.991 13.841 695 HE2 LYS 597 HE2 LYS 597 8.300 0.028 14.041 696 HE3 LYS 597 HE3 LYS 597 7.239 -1.135 13.251 697 HZ1 LYS 597 HZ1 LYS 597 8.197 -0.600 11.146 698 HZ2 LYS 597 HZ2 LYS 597 9.457 -0.946 12.217 699 HZ3 LYS 597 HZ3 LYS 597 9.111 0.656 11.810 700 H GLU 598 HN GLU 598 4.317 -0.809 9.359 701 HA GLU 598 HA GLU 598 5.189 0.199 6.801 702 HB2 GLU 598 HB2 GLU 598 7.104 0.654 8.388 703 HB3 GLU 598 HB3 GLU 598 7.204 -1.070 8.682 704 HG2 GLU 598 HG2 GLU 598 7.807 -1.462 6.375 705 HG3 GLU 598 HG3 GLU 598 7.614 0.255 6.011 706 H LEU 599 HN LEU 599 5.177 -1.486 5.286 707 HA LEU 599 HA LEU 599 4.249 -4.076 6.255 708 HB2 LEU 599 HB2 LEU 599 4.760 -3.051 3.467 709 HB3 LEU 599 HB1 LEU 599 4.250 -4.686 3.815 710 HG LEU 599 HG LEU 599 2.655 -2.163 4.249 711 HD11 LEU 599 HD11 LEU 599 1.969 -4.554 2.587 712 HD12 LEU 599 HD12 LEU 599 2.974 -3.259 1.939 713 HD13 LEU 599 HD13 LEU 599 1.326 -2.914 2.484 714 HD21 LEU 599 HD21 LEU 599 1.807 -5.000 4.793 715 HD22 LEU 599 HD22 LEU 599 0.870 -3.533 5.064 716 HD23 LEU 599 HD23 LEU 599 2.289 -3.866 6.056 717 H GLN 600 HN GLN 600 5.574 -5.670 6.747 718 HA GLN 600 HA GLN 600 8.183 -5.767 5.398 719 HB2 GLN 600 HB2 GLN 600 7.529 -6.439 8.265 720 HB3 GLN 600 HB3 GLN 600 9.048 -6.863 7.488 721 HG2 GLN 600 HG2 GLN 600 8.002 -4.055 7.773 722 HG3 GLN 600 HG3 GLN 600 9.170 -4.810 8.857 723 HE21 GLN 600 HE21 GLN 600 8.630 -3.557 5.643 724 HE22 GLN 600 HE22 GLN 600 10.295 -3.446 5.205 725 H LEU 601 HN LEU 601 7.984 -7.297 3.943 726 HA LEU 601 HA LEU 601 6.481 -9.720 4.366 727 HB2 LEU 601 HB2 LEU 601 8.478 -9.068 2.192 728 HB3 LEU 601 HB1 LEU 601 7.280 -10.344 2.158 729 HG LEU 601 HG LEU 601 6.670 -7.388 2.134 730 HD11 LEU 601 HD11 LEU 601 6.032 -7.755 -0.186 731 HD12 LEU 601 HD12 LEU 601 6.530 -9.443 -0.068 732 HD13 LEU 601 HD13 LEU 601 7.730 -8.158 0.069 733 HD21 LEU 601 HD21 LEU 601 4.852 -9.767 1.772 734 HD22 LEU 601 HD22 LEU 601 4.387 -8.068 1.676 735 HD23 LEU 601 HD23 LEU 601 4.929 -8.748 3.209 736 H LYS 602 HN LYS 602 8.012 -11.751 3.452 737 HA LYS 602 HA LYS 602 9.866 -12.479 5.374 738 HB2 LYS 602 HB2 LYS 602 10.015 -13.176 2.433 739 HB3 LYS 602 HB3 LYS 602 10.778 -14.060 3.744 740 HG2 LYS 602 HG2 LYS 602 7.825 -13.787 3.236 741 HG3 LYS 602 HG3 LYS 602 8.813 -15.229 3.001 742 HD2 LYS 602 HD2 LYS 602 9.301 -15.243 5.425 743 HD3 LYS 602 HD3 LYS 602 8.221 -13.861 5.623 744 HE2 LYS 602 HE2 LYS 602 7.461 -16.589 4.589 745 HE3 LYS 602 HE3 LYS 602 7.085 -15.940 6.184 746 HZ1 LYS 602 HZ1 LYS 602 5.200 -15.752 4.700 747 HZ2 LYS 602 HZ2 LYS 602 6.111 -14.855 3.596 748 HZ3 LYS 602 HZ3 LYS 602 5.761 -14.214 5.119 749 H LYS 603 HN LYS 603 10.281 -10.621 2.432 750 HA LYS 603 HA LYS 603 13.042 -9.974 3.036 751 HB2 LYS 603 HB2 LYS 603 11.194 -8.891 0.893 752 HB3 LYS 603 HB3 LYS 603 12.924 -8.611 0.998 753 HG2 LYS 603 HG2 LYS 603 11.570 -11.253 0.506 754 HG3 LYS 603 HG3 LYS 603 12.440 -10.278 -0.681 755 HD2 LYS 603 HD2 LYS 603 14.498 -10.541 0.672 756 HD3 LYS 603 HD3 LYS 603 13.609 -11.596 1.770 757 HE2 LYS 603 HE2 LYS 603 13.153 -13.122 -0.115 758 HE3 LYS 603 HE3 LYS 603 14.118 -12.081 -1.162 759 HZ1 LYS 603 HZ1 LYS 603 15.078 -13.578 1.212 760 HZ2 LYS 603 HZ2 LYS 603 16.018 -12.492 0.323 761 HZ3 LYS 603 HZ3 LYS 603 15.449 -13.907 -0.405 762 HA PRO 604 HA PRO 604 11.541 -6.654 5.625 763 HB2 PRO 604 HB2 PRO 604 13.926 -5.778 6.507 764 HB3 PRO 604 HB3 PRO 604 13.227 -7.306 7.053 765 HG2 PRO 604 HG2 PRO 604 15.335 -6.820 4.982 766 HG3 PRO 604 HG3 PRO 604 15.276 -8.061 6.248 767 HD2 PRO 604 HD2 PRO 604 14.597 -8.527 3.642 768 HD3 PRO 604 HD3 PRO 604 13.916 -9.431 5.009 769 H GLY 605 HN GLY 605 11.811 -6.147 2.756 770 HA2 GLY 605 HA2 GLY 605 11.974 -4.386 1.290 771 HA3 GLY 605 HA1 GLY 605 11.849 -3.346 2.704 772 H LYS 606 HN LYS 606 14.257 -5.608 1.413 773 HA LYS 606 HA LYS 606 16.482 -5.494 1.117 774 HB2 LYS 606 HB2 LYS 606 15.898 -2.544 0.899 775 HB3 LYS 606 HB3 LYS 606 17.511 -3.212 0.692 776 HG2 LYS 606 HG2 LYS 606 15.097 -3.917 -0.967 777 HG3 LYS 606 HG3 LYS 606 16.404 -2.834 -1.450 778 HD2 LYS 606 HD2 LYS 606 17.999 -4.703 -1.232 779 HD3 LYS 606 HD3 LYS 606 16.662 -5.774 -0.815 780 HE2 LYS 606 HE2 LYS 606 17.258 -6.018 -3.157 781 HE3 LYS 606 HE3 LYS 606 15.638 -5.345 -2.991 782 HZ1 LYS 606 HZ1 LYS 606 16.490 -3.169 -3.479 783 HZ2 LYS 606 HZ2 LYS 606 16.978 -4.228 -4.699 784 HZ3 LYS 606 HZ3 LYS 606 18.080 -3.741 -3.514 785 H ASN 607 HN ASN 607 16.166 -2.481 2.953 786 HA ASN 607 HA ASN 607 17.212 -1.764 4.844 787 HB2 ASN 607 HB2 ASN 607 15.481 -3.487 5.691 788 HB3 ASN 607 HB3 ASN 607 16.857 -4.558 5.926 789 HD21 ASN 607 HD21 ASN 607 15.066 -3.525 7.922 790 HD22 ASN 607 HD22 ASN 607 16.030 -2.619 9.034 791 H VAL 608 HN VAL 608 18.952 -2.436 2.882 792 HA VAL 608 HA VAL 608 21.060 -4.110 3.955 793 HB VAL 608 HB VAL 608 21.114 -2.294 1.531 794 HG11 VAL 608 HG11 VAL 608 22.920 -4.575 2.324 795 HG12 VAL 608 HG12 VAL 608 23.333 -2.861 2.362 796 HG13 VAL 608 HG13 VAL 608 23.016 -3.656 0.821 797 HG21 VAL 608 HG21 VAL 608 20.557 -5.253 1.672 798 HG22 VAL 608 HG22 VAL 608 20.691 -4.290 0.202 799 HG23 VAL 608 HG23 VAL 608 19.368 -3.999 1.331 800 H ALA 609 HN ALA 609 20.657 -0.722 3.053 801 HA ALA 609 HA ALA 609 22.159 0.150 5.361 802 HB1 ALA 609 HB1 ALA 609 22.916 0.755 2.513 803 HB2 ALA 609 HB2 ALA 609 23.894 -0.091 3.711 804 HB3 ALA 609 HB3 ALA 609 23.548 1.628 3.908 805 H ALA 610 HN ALA 610 21.805 2.419 5.743 806 HA ALA 610 HA ALA 610 19.218 3.353 5.202 807 HB1 ALA 610 HB1 ALA 610 21.642 4.921 6.086 808 HB2 ALA 610 HB2 ALA 610 20.502 4.090 7.145 809 HB3 ALA 610 HB3 ALA 610 19.968 5.469 6.182 810 H ILE 611 HN ILE 611 18.392 4.307 3.463 811 HA ILE 611 HA ILE 611 20.081 4.809 1.183 812 HB ILE 611 HB ILE 611 17.103 5.270 1.484 813 HG12 ILE 611 HG12 ILE 611 18.581 2.894 0.322 814 HG13 ILE 611 HG13 ILE 611 17.789 2.912 1.894 815 HG21 ILE 611 HG21 ILE 611 18.063 6.500 -0.386 816 HG22 ILE 611 HG22 ILE 611 17.085 5.155 -0.976 817 HG23 ILE 611 HG23 ILE 611 18.844 5.032 -0.972 818 HD11 ILE 611 HD11 ILE 611 16.418 1.799 0.234 819 HD12 ILE 611 HD12 ILE 611 16.436 3.246 -0.775 820 HD13 ILE 611 HD13 ILE 611 15.636 3.276 0.796 821 H ILE 612 HN ILE 612 21.324 6.510 2.235 822 HA ILE 612 HA ILE 612 19.935 8.992 2.799 823 HB ILE 612 HB ILE 612 22.890 8.398 2.997 824 HG12 ILE 612 HG12 ILE 612 20.759 8.290 5.144 825 HG13 ILE 612 HG13 ILE 612 21.542 6.891 4.418 826 HG21 ILE 612 HG21 ILE 612 22.910 10.329 4.531 827 HG22 ILE 612 HG22 ILE 612 21.199 10.597 4.199 828 HG23 ILE 612 HG23 ILE 612 22.387 10.783 2.909 829 HD11 ILE 612 HD11 ILE 612 23.684 7.621 5.323 830 HD12 ILE 612 HD12 ILE 612 22.482 7.398 6.595 831 HD13 ILE 612 HD13 ILE 612 22.900 9.023 6.050 832 H GLN 613 HN GLN 613 19.457 8.653 0.300 833 HA GLN 613 HA GLN 613 21.376 10.193 -1.272 834 HB2 GLN 613 HB2 GLN 613 18.599 9.225 -2.016 835 HB3 GLN 613 HB3 GLN 613 19.792 9.901 -3.117 836 HG2 GLN 613 HG2 GLN 613 21.272 8.000 -2.667 837 HG3 GLN 613 HG3 GLN 613 20.057 7.320 -1.588 838 HE21 GLN 613 HE21 GLN 613 19.375 8.939 -4.624 839 HE22 GLN 613 HE22 GLN 613 18.789 7.539 -5.450 840 H ASP 614 HN ASP 614 18.867 10.540 0.845 841 HA ASP 614 HA ASP 614 19.089 13.233 1.223 842 HB2 ASP 614 HB2 ASP 614 17.856 13.428 -0.964 843 HB3 ASP 614 HB3 ASP 614 16.501 12.596 -0.208 844 H ILE 615 HN ILE 615 18.573 13.376 3.207 845 HA ILE 615 HA ILE 615 18.129 11.317 4.859 846 HB ILE 615 HB ILE 615 17.185 14.133 5.399 847 HG12 ILE 615 HG12 ILE 615 19.831 12.777 5.974 848 HG13 ILE 615 HG13 ILE 615 19.554 13.972 4.714 849 HG21 ILE 615 HG21 ILE 615 16.253 12.567 7.009 850 HG22 ILE 615 HG22 ILE 615 17.503 13.554 7.768 851 HG23 ILE 615 HG23 ILE 615 17.856 11.890 7.304 852 HD11 ILE 615 HD11 ILE 615 19.030 15.642 6.411 853 HD12 ILE 615 HD12 ILE 615 20.637 14.955 6.652 854 HD13 ILE 615 HD13 ILE 615 19.296 14.442 7.675 855 H HIS 616 HN HIS 616 15.434 13.559 4.065 856 HA HIS 616 HA HIS 616 13.172 13.295 4.219 857 HB2 HIS 616 HB2 HIS 616 14.035 10.598 3.192 858 HB3 HIS 616 HB3 HIS 616 12.341 10.964 3.476 859 HD1 HIS 616 HD1 HIS 616 15.140 11.615 1.133 860 HD2 HIS 616 HD2 HIS 616 11.208 12.829 1.689 861 HE1 HIS 616 HE1 HIS 616 14.462 12.730 -1.020 862 HE2 HIS 616 HE2 HIS 616 12.177 13.673 -0.554 863 H SER 617 HN SER 617 14.218 13.280 6.652 864 HA SER 617 HA SER 617 13.628 12.892 8.799 865 HB2 SER 617 HB2 SER 617 11.302 12.711 7.885 866 HB3 SER 617 HB3 SER 617 11.539 10.969 7.757 867 HG SER 617 HG SER 617 10.726 11.072 9.721 868 H GLN 618 HN GLN 618 14.603 10.363 6.720 869 HA GLN 618 HA GLN 618 15.054 8.389 8.760 870 HB2 GLN 618 HB2 GLN 618 16.307 8.633 6.012 871 HB3 GLN 618 HB3 GLN 618 16.342 7.208 7.041 872 HG2 GLN 618 HG2 GLN 618 13.843 8.435 5.894 873 HG3 GLN 618 HG3 GLN 618 14.705 7.064 5.200 874 HE21 GLN 618 HE21 GLN 618 12.695 8.165 7.807 875 HE22 GLN 618 HE22 GLN 618 12.283 6.602 8.419 876 H ARG 619 HN ARG 619 16.164 9.493 10.369 877 HA ARG 619 HA ARG 619 18.415 11.164 9.769 878 HB2 ARG 619 HB2 ARG 619 17.423 10.198 12.455 879 HB3 ARG 619 HB3 ARG 619 18.512 11.549 12.169 880 HG2 ARG 619 HG2 ARG 619 16.726 12.720 10.972 881 HG3 ARG 619 HG3 ARG 619 15.642 11.364 11.285 882 HD2 ARG 619 HD2 ARG 619 16.038 11.736 13.731 883 HD3 ARG 619 HD3 ARG 619 16.899 13.213 13.303 884 HE ARG 619 HE ARG 619 14.339 13.208 12.106 885 HH11 ARG 619 HH11 ARG 619 15.876 13.577 15.227 886 HH12 ARG 619 HH12 ARG 619 14.607 14.564 15.874 887 HH21 ARG 619 HH21 ARG 619 12.657 14.483 12.967 888 HH22 ARG 619 HH22 ARG 619 12.777 15.075 14.596 889 H GLU 620 HN GLU 620 19.463 9.269 8.639 890 HA GLU 620 HA GLU 620 21.206 7.834 8.466 891 HB2 GLU 620 HB2 GLU 620 22.040 9.145 11.058 892 HB3 GLU 620 HB3 GLU 620 23.088 8.192 10.014 893 HG2 GLU 620 HG2 GLU 620 22.830 9.813 8.230 894 HG3 GLU 620 HG3 GLU 620 21.712 10.751 9.220 895 H ARG 621 HN ARG 621 19.508 6.181 8.886 896 HA ARG 621 HA ARG 621 19.724 4.839 11.456 897 HB2 ARG 621 HB2 ARG 621 17.972 3.303 10.420 898 HB3 ARG 621 HB3 ARG 621 17.490 4.969 10.707 899 HG2 ARG 621 HG2 ARG 621 17.874 5.480 8.339 900 HG3 ARG 621 HG3 ARG 621 18.332 3.800 8.060 901 HD2 ARG 621 HD2 ARG 621 15.647 4.754 9.052 902 HD3 ARG 621 HD3 ARG 621 16.008 4.249 7.403 903 HE ARG 621 HE ARG 621 16.719 2.157 9.100 904 HH11 ARG 621 HH11 ARG 621 13.826 3.841 8.053 905 HH12 ARG 621 HH12 ARG 621 12.782 2.485 8.347 906 HH21 ARG 621 HH21 ARG 621 15.353 0.369 9.451 907 HH22 ARG 621 HH22 ARG 621 13.654 0.497 9.117 Start of MODEL 21 1 H1 GLY 510 HT1 GLY 510 14.783 -7.522 -5.569 2 H2 GLY 510 HT2 GLY 510 13.233 -7.321 -6.210 3 H3 GLY 510 HT3 GLY 510 13.429 -7.971 -4.663 4 HA2 GLY 510 HA1 GLY 510 14.326 -5.890 -3.857 5 HA3 GLY 510 HA2 GLY 510 14.147 -5.212 -5.469 6 H ALA 511 HN ALA 511 11.929 -5.224 -6.372 7 HA ALA 511 HA ALA 511 9.733 -4.689 -6.333 8 HB1 ALA 511 HB1 ALA 511 8.275 -5.638 -4.656 9 HB2 ALA 511 HB2 ALA 511 9.656 -6.011 -3.627 10 HB3 ALA 511 HB3 ALA 511 9.460 -6.836 -5.172 11 H MET 512 HN MET 512 11.933 -3.350 -4.336 12 HA MET 512 HA MET 512 12.135 -1.350 -3.300 13 HB2 MET 512 HB2 MET 512 9.346 -0.763 -4.305 14 HB3 MET 512 HB3 MET 512 10.517 0.411 -3.722 15 HG2 MET 512 HG2 MET 512 10.735 -1.276 -6.202 16 HG3 MET 512 HG3 MET 512 10.446 0.460 -6.124 17 HE1 MET 512 HE1 MET 512 14.109 -0.097 -7.609 18 HE2 MET 512 HE2 MET 512 12.518 0.578 -7.952 19 HE3 MET 512 HE3 MET 512 12.718 -1.166 -7.792 20 H ALA 513 HN ALA 513 10.841 0.130 -1.615 21 HA ALA 513 HA ALA 513 8.811 -0.963 -0.041 22 HB1 ALA 513 HB1 ALA 513 11.557 -1.522 1.074 23 HB2 ALA 513 HB2 ALA 513 10.440 -2.731 0.437 24 HB3 ALA 513 HB3 ALA 513 10.016 -1.818 1.882 25 H GLN 514 HN GLN 514 9.807 -0.137 2.521 26 HA GLN 514 HA GLN 514 9.121 2.574 2.508 27 HB2 GLN 514 HB2 GLN 514 10.727 1.073 4.586 28 HB3 GLN 514 HB3 GLN 514 9.940 2.618 4.834 29 HG2 GLN 514 HG2 GLN 514 8.511 1.120 5.847 30 HG3 GLN 514 HG3 GLN 514 7.767 1.362 4.271 31 HE21 GLN 514 HE21 GLN 514 7.604 -0.332 2.877 32 HE22 GLN 514 HE22 GLN 514 8.038 -1.954 3.291 33 H ARG 515 HN ARG 515 12.043 0.990 1.883 34 HA ARG 515 HA ARG 515 14.115 2.608 2.569 35 HB2 ARG 515 HB2 ARG 515 13.733 1.243 -0.089 36 HB3 ARG 515 HB3 ARG 515 15.278 1.712 0.616 37 HG2 ARG 515 HG2 ARG 515 14.751 0.167 2.535 38 HG3 ARG 515 HG3 ARG 515 13.386 -0.421 1.583 39 HD2 ARG 515 HD2 ARG 515 14.917 -1.085 -0.206 40 HD3 ARG 515 HD3 ARG 515 16.284 -0.490 0.737 41 HE ARG 515 HE ARG 515 14.597 -2.557 1.933 42 HH11 ARG 515 HH11 ARG 515 17.632 -1.706 0.394 43 HH12 ARG 515 HH12 ARG 515 18.440 -3.152 0.906 44 HH21 ARG 515 HH21 ARG 515 15.648 -4.460 2.580 45 HH22 ARG 515 HH22 ARG 515 17.305 -4.726 2.138 46 H LYS 516 HN LYS 516 11.798 3.141 0.027 47 HA LYS 516 HA LYS 516 12.980 5.102 -1.511 48 HB2 LYS 516 HB2 LYS 516 10.094 4.858 -0.656 49 HB3 LYS 516 HB3 LYS 516 10.660 5.947 -1.916 50 HG2 LYS 516 HG2 LYS 516 10.899 2.945 -1.955 51 HG3 LYS 516 HG3 LYS 516 9.712 3.902 -2.844 52 HD2 LYS 516 HD2 LYS 516 11.583 5.045 -4.009 53 HD3 LYS 516 HD3 LYS 516 12.708 3.959 -3.191 54 HE2 LYS 516 HE2 LYS 516 12.307 3.075 -5.366 55 HE3 LYS 516 HE3 LYS 516 11.476 2.045 -4.200 56 HZ1 LYS 516 HZ1 LYS 516 10.166 4.198 -5.773 57 HZ2 LYS 516 HZ2 LYS 516 9.400 3.089 -4.755 58 HZ3 LYS 516 HZ3 LYS 516 10.130 2.560 -6.184 59 H GLY 517 HN GLY 517 11.659 5.417 1.721 60 HA2 GLY 517 HA2 GLY 517 13.055 7.734 2.326 61 HA3 GLY 517 HA1 GLY 517 11.486 8.255 1.729 62 H ALA 518 HN ALA 518 9.580 7.312 2.807 63 HA ALA 518 HA ALA 518 10.121 7.066 5.688 64 HB1 ALA 518 HB1 ALA 518 8.821 9.036 5.063 65 HB2 ALA 518 HB2 ALA 518 7.863 7.924 6.040 66 HB3 ALA 518 HB3 ALA 518 7.614 8.003 4.296 67 H GLY 519 HN GLY 519 7.581 6.036 3.387 68 HA2 GLY 519 HA2 GLY 519 6.654 3.937 3.093 69 HA3 GLY 519 HA1 GLY 519 7.809 3.306 4.256 70 H ARG 520 HN ARG 520 4.617 4.090 3.697 71 HA ARG 520 HA ARG 520 3.926 3.469 6.448 72 HB2 ARG 520 HB2 ARG 520 3.012 5.957 5.017 73 HB3 ARG 520 HB3 ARG 520 2.086 5.249 6.334 74 HG2 ARG 520 HG2 ARG 520 4.090 5.473 7.784 75 HG3 ARG 520 HG3 ARG 520 4.892 6.326 6.463 76 HD2 ARG 520 HD2 ARG 520 3.901 7.858 8.119 77 HD3 ARG 520 HD3 ARG 520 3.212 8.059 6.508 78 HE ARG 520 HE ARG 520 1.598 6.258 7.897 79 HH11 ARG 520 HH11 ARG 520 2.547 9.617 8.119 80 HH12 ARG 520 HH12 ARG 520 1.046 10.129 8.822 81 HH21 ARG 520 HH21 ARG 520 -0.375 6.917 8.823 82 HH22 ARG 520 HH22 ARG 520 -0.625 8.589 9.216 83 H VAL 521 HN VAL 521 1.988 2.402 6.653 84 HA VAL 521 HA VAL 521 1.070 1.232 4.152 85 HB VAL 521 HB VAL 521 0.617 0.352 7.007 86 HG11 VAL 521 HG11 VAL 521 -0.130 -1.031 4.432 87 HG12 VAL 521 HG12 VAL 521 -1.253 -0.326 5.594 88 HG13 VAL 521 HG13 VAL 521 -0.271 -1.718 6.049 89 HG21 VAL 521 HG21 VAL 521 2.414 -0.673 4.824 90 HG22 VAL 521 HG22 VAL 521 2.102 -1.522 6.337 91 HG23 VAL 521 HG23 VAL 521 2.895 0.051 6.356 92 H VAL 522 HN VAL 522 -0.826 1.490 3.317 93 HA VAL 522 HA VAL 522 -2.953 2.855 4.816 94 HB VAL 522 HB VAL 522 -2.633 2.369 1.847 95 HG11 VAL 522 HG11 VAL 522 -4.807 3.825 3.317 96 HG12 VAL 522 HG12 VAL 522 -4.966 2.290 2.460 97 HG13 VAL 522 HG13 VAL 522 -4.601 3.766 1.567 98 HG21 VAL 522 HG21 VAL 522 -2.440 4.818 1.726 99 HG22 VAL 522 HG22 VAL 522 -1.139 4.085 2.668 100 HG23 VAL 522 HG23 VAL 522 -2.479 4.887 3.487 101 H HIS 523 HN HIS 523 -4.884 1.800 5.205 102 HA HIS 523 HA HIS 523 -4.855 -1.064 4.542 103 HB2 HIS 523 HB2 HIS 523 -5.890 -1.553 6.548 104 HB3 HIS 523 HB3 HIS 523 -4.969 -0.135 7.018 105 HD1 HIS 523 HD1 HIS 523 -6.299 1.878 7.873 106 HD2 HIS 523 HD2 HIS 523 -8.697 -1.104 6.244 107 HE1 HIS 523 HE1 HIS 523 -8.657 2.504 8.465 108 HE2 HIS 523 HE2 HIS 523 -10.061 0.580 7.654 109 H ILE 524 HN ILE 524 -6.496 -1.969 3.454 110 HA ILE 524 HA ILE 524 -8.684 -0.184 2.628 111 HB ILE 524 HB ILE 524 -7.368 -2.391 1.044 112 HG12 ILE 524 HG12 ILE 524 -7.515 0.596 0.587 113 HG13 ILE 524 HG13 ILE 524 -6.105 -0.268 1.186 114 HG21 ILE 524 HG21 ILE 524 -9.755 -0.671 0.387 115 HG22 ILE 524 HG22 ILE 524 -9.721 -2.426 0.576 116 HG23 ILE 524 HG23 ILE 524 -8.890 -1.669 -0.783 117 HD11 ILE 524 HD11 ILE 524 -5.881 -1.427 -0.902 118 HD12 ILE 524 HD12 ILE 524 -5.965 0.310 -1.196 119 HD13 ILE 524 HD13 ILE 524 -7.373 -0.706 -1.500 120 H CYS 525 HN CYS 525 -10.672 -0.808 3.067 121 HA CYS 525 HA CYS 525 -11.060 -3.533 4.104 122 HB2 CYS 525 HB2 CYS 525 -12.730 -2.471 5.683 123 HB3 CYS 525 HB3 CYS 525 -11.042 -2.096 6.000 124 HG CYS 525 HG CYS 525 -11.622 0.346 4.217 125 H ASN 526 HN ASN 526 -13.543 -3.944 4.324 126 HA ASN 526 HA ASN 526 -15.523 -4.359 3.297 127 HB2 ASN 526 HB2 ASN 526 -14.942 -1.704 1.976 128 HB3 ASN 526 HB3 ASN 526 -16.418 -2.616 1.690 129 HD21 ASN 526 HD21 ASN 526 -17.695 -0.992 2.519 130 HD22 ASN 526 HD22 ASN 526 -17.784 -0.653 4.211 131 H LEU 527 HN LEU 527 -12.971 -5.291 2.215 132 HA LEU 527 HA LEU 527 -13.175 -5.194 -0.644 133 HB2 LEU 527 HB2 LEU 527 -11.417 -6.727 1.262 134 HB3 LEU 527 HB1 LEU 527 -11.299 -6.895 -0.481 135 HG LEU 527 HG LEU 527 -10.981 -4.257 0.941 136 HD11 LEU 527 HD11 LEU 527 -9.233 -5.837 1.650 137 HD12 LEU 527 HD12 LEU 527 -8.599 -4.511 0.670 138 HD13 LEU 527 HD13 LEU 527 -8.823 -6.113 -0.044 139 HD21 LEU 527 HD21 LEU 527 -9.889 -3.651 -1.198 140 HD22 LEU 527 HD22 LEU 527 -11.602 -4.032 -1.359 141 HD23 LEU 527 HD23 LEU 527 -10.386 -5.212 -1.850 142 HA PRO 528 HA PRO 528 -16.011 -8.647 -0.864 143 HB2 PRO 528 HB2 PRO 528 -16.004 -8.790 -3.601 144 HB3 PRO 528 HB3 PRO 528 -17.018 -7.682 -2.673 145 HG2 PRO 528 HG2 PRO 528 -14.444 -7.159 -4.089 146 HG3 PRO 528 HG3 PRO 528 -15.883 -6.132 -3.956 147 HD2 PRO 528 HD2 PRO 528 -13.645 -5.736 -2.480 148 HD3 PRO 528 HD3 PRO 528 -15.271 -5.332 -1.891 149 H GLU 529 HN GLU 529 -15.553 -10.722 -0.741 150 HA GLU 529 HA GLU 529 -12.926 -11.685 -1.201 151 HB2 GLU 529 HB2 GLU 529 -13.939 -13.912 -0.593 152 HB3 GLU 529 HB3 GLU 529 -14.117 -12.639 0.606 153 HG2 GLU 529 HG2 GLU 529 -16.415 -12.263 -0.137 154 HG3 GLU 529 HG3 GLU 529 -16.233 -13.543 -1.335 155 H GLY 530 HN GLY 530 -12.054 -12.701 -2.886 156 HA2 GLY 530 HA2 GLY 530 -11.911 -13.993 -4.796 157 HA3 GLY 530 HA1 GLY 530 -13.657 -14.168 -4.774 158 H SER 531 HN SER 531 -13.719 -11.083 -4.592 159 HA SER 531 HA SER 531 -13.881 -10.717 -7.459 160 HB2 SER 531 HB2 SER 531 -14.428 -8.639 -5.347 161 HB3 SER 531 HB3 SER 531 -15.097 -8.741 -6.974 162 HG SER 531 HG SER 531 -16.022 -10.829 -6.165 163 H CYS 532 HN CYS 532 -11.920 -9.657 -4.770 164 HA CYS 532 HA CYS 532 -10.596 -7.601 -6.317 165 HB2 CYS 532 HB2 CYS 532 -9.946 -8.598 -3.540 166 HB3 CYS 532 HB3 CYS 532 -9.416 -7.087 -4.273 167 HG CYS 532 HG CYS 532 -12.464 -7.895 -3.017 168 H THR 533 HN THR 533 -8.781 -7.871 -7.453 169 HA THR 533 HA THR 533 -7.119 -10.229 -6.870 170 HB THR 533 HB THR 533 -6.079 -9.904 -9.051 171 HG1 THR 533 HG1 THR 533 -7.854 -7.672 -9.315 172 HG21 THR 533 HG21 THR 533 -8.106 -11.254 -8.990 173 HG22 THR 533 HG22 THR 533 -8.006 -10.356 -10.505 174 HG23 THR 533 HG23 THR 533 -9.091 -9.808 -9.226 175 H GLU 534 HN GLU 534 -4.661 -9.715 -7.228 176 HA GLU 534 HA GLU 534 -3.858 -7.885 -5.285 177 HB2 GLU 534 HB2 GLU 534 -2.199 -8.810 -7.634 178 HB3 GLU 534 HB3 GLU 534 -1.596 -8.156 -6.118 179 HG2 GLU 534 HG2 GLU 534 -2.470 -10.085 -4.924 180 HG3 GLU 534 HG3 GLU 534 -3.104 -10.737 -6.432 181 H ASN 535 HN ASN 535 -4.085 -7.551 -8.781 182 HA ASN 535 HA ASN 535 -2.830 -5.078 -9.067 183 HB2 ASN 535 HB2 ASN 535 -3.250 -6.489 -10.980 184 HB3 ASN 535 HB3 ASN 535 -4.990 -6.373 -10.736 185 HD21 ASN 535 HD21 ASN 535 -6.081 -4.593 -11.466 186 HD22 ASN 535 HD22 ASN 535 -5.346 -3.356 -12.425 187 H ASP 536 HN ASP 536 -6.264 -5.810 -8.444 188 HA ASP 536 HA ASP 536 -7.217 -3.209 -8.955 189 HB2 ASP 536 HB2 ASP 536 -8.391 -5.253 -7.054 190 HB3 ASP 536 HB3 ASP 536 -9.210 -3.823 -7.663 191 H VAL 537 HN VAL 537 -6.241 -4.773 -5.945 192 HA VAL 537 HA VAL 537 -6.936 -2.641 -4.241 193 HB VAL 537 HB VAL 537 -4.897 -4.836 -3.823 194 HG11 VAL 537 HG11 VAL 537 -4.623 -2.932 -2.271 195 HG12 VAL 537 HG12 VAL 537 -5.102 -4.426 -1.469 196 HG13 VAL 537 HG13 VAL 537 -6.295 -3.158 -1.753 197 HG21 VAL 537 HG21 VAL 537 -7.811 -4.668 -3.072 198 HG22 VAL 537 HG22 VAL 537 -6.706 -5.962 -2.603 199 HG23 VAL 537 HG23 VAL 537 -7.104 -5.716 -4.304 200 H ILE 538 HN ILE 538 -3.873 -3.540 -5.782 201 HA ILE 538 HA ILE 538 -2.318 -1.466 -4.634 202 HB ILE 538 HB ILE 538 -1.909 -2.987 -7.217 203 HG12 ILE 538 HG12 ILE 538 -0.656 -3.434 -4.501 204 HG13 ILE 538 HG13 ILE 538 -2.026 -4.352 -5.115 205 HG21 ILE 538 HG21 ILE 538 -0.619 -0.929 -7.218 206 HG22 ILE 538 HG22 ILE 538 0.449 -2.318 -7.015 207 HG23 ILE 538 HG23 ILE 538 0.033 -1.313 -5.626 208 HD11 ILE 538 HD11 ILE 538 0.045 -5.576 -5.391 209 HD12 ILE 538 HD12 ILE 538 0.721 -4.250 -6.337 210 HD13 ILE 538 HD13 ILE 538 -0.652 -5.165 -6.958 211 H ASN 539 HN ASN 539 -4.031 -1.778 -7.711 212 HA ASN 539 HA ASN 539 -3.177 0.647 -8.837 213 HB2 ASN 539 HB2 ASN 539 -5.449 -1.205 -9.429 214 HB3 ASN 539 HB3 ASN 539 -5.333 0.346 -10.256 215 HD21 ASN 539 HD21 ASN 539 -5.005 -0.650 -12.240 216 HD22 ASN 539 HD22 ASN 539 -3.508 -1.413 -12.648 217 H LEU 540 HN LEU 540 -5.730 -0.015 -6.564 218 HA LEU 540 HA LEU 540 -7.139 2.417 -7.004 219 HB2 LEU 540 HB2 LEU 540 -7.071 0.628 -4.587 220 HB3 LEU 540 HB1 LEU 540 -8.173 1.973 -4.802 221 HG LEU 540 HG LEU 540 -8.085 -0.591 -6.376 222 HD11 LEU 540 HD11 LEU 540 -9.191 -0.759 -4.248 223 HD12 LEU 540 HD12 LEU 540 -10.390 -0.790 -5.543 224 HD13 LEU 540 HD13 LEU 540 -10.151 0.680 -4.597 225 HD21 LEU 540 HD21 LEU 540 -8.510 1.149 -7.968 226 HD22 LEU 540 HD22 LEU 540 -9.679 1.912 -6.893 227 HD23 LEU 540 HD23 LEU 540 -10.036 0.342 -7.608 228 H GLY 541 HN GLY 541 -4.514 1.495 -4.827 229 HA2 GLY 541 HA2 GLY 541 -4.605 4.008 -3.408 230 HA3 GLY 541 HA1 GLY 541 -3.390 2.752 -3.229 231 H LEU 542 HN LEU 542 -2.749 2.629 -6.017 232 HA LEU 542 HA LEU 542 -0.516 4.182 -6.103 233 HB2 LEU 542 HB2 LEU 542 -2.138 2.919 -8.259 234 HB3 LEU 542 HB1 LEU 542 -0.750 3.900 -8.680 235 HG LEU 542 HG LEU 542 -0.616 1.514 -6.841 236 HD11 LEU 542 HD11 LEU 542 0.401 0.349 -8.737 237 HD12 LEU 542 HD12 LEU 542 0.055 1.736 -9.768 238 HD13 LEU 542 HD13 LEU 542 -1.268 0.805 -9.070 239 HD21 LEU 542 HD21 LEU 542 1.144 3.168 -6.506 240 HD22 LEU 542 HD22 LEU 542 1.521 3.123 -8.228 241 HD23 LEU 542 HD23 LEU 542 1.782 1.694 -7.228 242 HA PRO 543 HA PRO 543 -2.844 7.285 -9.237 243 HB2 PRO 543 HB2 PRO 543 -5.196 7.576 -7.387 244 HB3 PRO 543 HB3 PRO 543 -5.110 7.822 -9.142 245 HG2 PRO 543 HG2 PRO 543 -6.119 5.590 -8.223 246 HG3 PRO 543 HG3 PRO 543 -4.958 5.519 -9.563 247 HD2 PRO 543 HD2 PRO 543 -4.551 4.905 -6.667 248 HD3 PRO 543 HD3 PRO 543 -3.894 4.085 -8.097 249 H PHE 544 HN PHE 544 -3.160 7.585 -5.675 250 HA PHE 544 HA PHE 544 -2.241 10.358 -6.009 251 HB2 PHE 544 HB2 PHE 544 -3.881 9.109 -3.822 252 HB3 PHE 544 HB1 PHE 544 -3.141 10.701 -3.666 253 HD1 PHE 544 HD1 PHE 544 -5.588 8.714 -5.578 254 HD2 PHE 544 HD2 PHE 544 -4.075 12.595 -4.730 255 HE1 PHE 544 HE1 PHE 544 -7.526 9.712 -6.714 256 HE2 PHE 544 HE2 PHE 544 -6.009 13.601 -5.865 257 HZ PHE 544 HZ PHE 544 -7.684 12.160 -6.949 258 H GLY 545 HN GLY 545 -1.327 7.325 -4.720 259 HA2 GLY 545 HA2 GLY 545 1.235 8.512 -3.968 260 HA3 GLY 545 HA1 GLY 545 0.380 7.584 -2.740 261 H LYS 546 HN LYS 546 2.995 7.148 -4.192 262 HA LYS 546 HA LYS 546 2.561 4.893 -5.904 263 HB2 LYS 546 HB2 LYS 546 4.497 6.407 -6.189 264 HB3 LYS 546 HB3 LYS 546 5.139 5.848 -4.651 265 HG2 LYS 546 HG2 LYS 546 6.290 4.691 -6.390 266 HG3 LYS 546 HG3 LYS 546 5.210 3.538 -5.594 267 HD2 LYS 546 HD2 LYS 546 3.592 3.775 -7.386 268 HD3 LYS 546 HD3 LYS 546 4.593 5.000 -8.164 269 HE2 LYS 546 HE2 LYS 546 5.496 2.170 -7.653 270 HE3 LYS 546 HE3 LYS 546 4.750 2.701 -9.158 271 HZ1 LYS 546 HZ1 LYS 546 7.264 3.801 -8.018 272 HZ2 LYS 546 HZ2 LYS 546 6.563 4.246 -9.486 273 HZ3 LYS 546 HZ3 LYS 546 7.172 2.683 -9.282 274 H VAL 547 HN VAL 547 2.725 2.797 -5.502 275 HA VAL 547 HA VAL 547 2.805 1.917 -2.718 276 HB VAL 547 HB VAL 547 1.944 0.498 -5.245 277 HG11 VAL 547 HG11 VAL 547 1.781 -0.437 -2.387 278 HG12 VAL 547 HG12 VAL 547 2.876 -1.064 -3.619 279 HG13 VAL 547 HG13 VAL 547 1.134 -1.278 -3.796 280 HG21 VAL 547 HG21 VAL 547 -0.305 0.701 -4.340 281 HG22 VAL 547 HG22 VAL 547 0.435 2.292 -4.525 282 HG23 VAL 547 HG23 VAL 547 0.324 1.550 -2.929 283 H THR 548 HN THR 548 4.385 0.583 -1.925 284 HA THR 548 HA THR 548 6.488 -0.228 -3.822 285 HB THR 548 HB THR 548 8.019 -0.386 -1.939 286 HG1 THR 548 HG1 THR 548 6.313 0.782 -0.106 287 HG21 THR 548 HG21 THR 548 6.459 2.199 -1.894 288 HG22 THR 548 HG22 THR 548 7.827 1.816 -2.942 289 HG23 THR 548 HG23 THR 548 8.062 1.968 -1.199 290 H ASN 549 HN ASN 549 4.377 -1.387 -1.237 291 HA ASN 549 HA ASN 549 4.882 -4.152 -2.015 292 HB2 ASN 549 HB2 ASN 549 5.419 -3.070 0.753 293 HB3 ASN 549 HB3 ASN 549 5.157 -4.779 0.433 294 HD21 ASN 549 HD21 ASN 549 7.253 -2.064 -0.066 295 HD22 ASN 549 HD22 ASN 549 8.643 -2.968 -0.567 296 H TYR 550 HN TYR 550 3.352 -5.656 -0.808 297 HA TYR 550 HA TYR 550 1.036 -4.349 0.354 298 HB2 TYR 550 HB2 TYR 550 -0.554 -5.459 -1.178 299 HB3 TYR 550 HB3 TYR 550 0.485 -4.316 -2.019 300 HD1 TYR 550 HD1 TYR 550 -0.423 -7.822 -1.624 301 HD2 TYR 550 HD2 TYR 550 2.225 -5.112 -3.555 302 HE1 TYR 550 HE1 TYR 550 0.215 -9.584 -3.208 303 HE2 TYR 550 HE2 TYR 550 2.872 -6.871 -5.146 304 HH TYR 550 HH TYR 550 1.154 -9.846 -5.388 305 H ILE 551 HN ILE 551 -0.234 -5.680 1.624 306 HA ILE 551 HA ILE 551 0.426 -8.550 1.694 307 HB ILE 551 HB ILE 551 -0.125 -6.759 4.075 308 HG12 ILE 551 HG12 ILE 551 2.222 -8.513 3.318 309 HG13 ILE 551 HG13 ILE 551 2.206 -6.761 3.458 310 HG21 ILE 551 HG21 ILE 551 -1.434 -8.788 4.309 311 HG22 ILE 551 HG22 ILE 551 -0.089 -8.790 5.450 312 HG23 ILE 551 HG23 ILE 551 -0.006 -9.771 3.987 313 HD11 ILE 551 HD11 ILE 551 3.304 -7.738 5.365 314 HD12 ILE 551 HD12 ILE 551 1.893 -8.741 5.701 315 HD13 ILE 551 HD13 ILE 551 1.790 -6.989 5.873 316 H LEU 552 HN LEU 552 -1.301 -9.765 1.282 317 HA LEU 552 HA LEU 552 -3.930 -8.449 1.364 318 HB2 LEU 552 HB2 LEU 552 -2.837 -10.586 -0.459 319 HB3 LEU 552 HB1 LEU 552 -4.528 -10.122 -0.418 320 HG LEU 552 HG LEU 552 -2.309 -8.166 -1.014 321 HD11 LEU 552 HD11 LEU 552 -4.078 -9.653 -2.963 322 HD12 LEU 552 HD12 LEU 552 -2.364 -9.972 -2.704 323 HD13 LEU 552 HD13 LEU 552 -2.880 -8.420 -3.364 324 HD21 LEU 552 HD21 LEU 552 -4.193 -6.887 -1.987 325 HD22 LEU 552 HD22 LEU 552 -4.326 -7.131 -0.246 326 HD23 LEU 552 HD23 LEU 552 -5.302 -8.107 -1.349 327 H MET 553 HN MET 553 -5.084 -9.121 3.065 328 HA MET 553 HA MET 553 -5.042 -11.996 3.689 329 HB2 MET 553 HB2 MET 553 -6.008 -9.677 5.379 330 HB3 MET 553 HB3 MET 553 -6.059 -11.369 5.854 331 HG2 MET 553 HG2 MET 553 -3.577 -9.756 5.301 332 HG3 MET 553 HG3 MET 553 -4.185 -10.224 6.887 333 HE1 MET 553 HE1 MET 553 -0.940 -12.400 6.464 334 HE2 MET 553 HE2 MET 553 -1.778 -11.226 7.477 335 HE3 MET 553 HE3 MET 553 -1.195 -10.756 5.881 336 H LYS 554 HN LYS 554 -6.401 -12.574 2.001 337 HA LYS 554 HA LYS 554 -8.823 -11.229 1.398 338 HB2 LYS 554 HB2 LYS 554 -7.803 -13.962 0.627 339 HB3 LYS 554 HB3 LYS 554 -9.268 -13.245 -0.022 340 HG2 LYS 554 HG2 LYS 554 -6.560 -11.951 -0.262 341 HG3 LYS 554 HG3 LYS 554 -7.227 -13.052 -1.471 342 HD2 LYS 554 HD2 LYS 554 -9.205 -11.519 -1.638 343 HD3 LYS 554 HD3 LYS 554 -8.336 -10.390 -0.596 344 HE2 LYS 554 HE2 LYS 554 -8.058 -9.804 -2.949 345 HE3 LYS 554 HE3 LYS 554 -6.520 -10.271 -2.226 346 HZ1 LYS 554 HZ1 LYS 554 -6.752 -12.458 -3.225 347 HZ2 LYS 554 HZ2 LYS 554 -6.811 -11.258 -4.414 348 HZ3 LYS 554 HZ3 LYS 554 -8.235 -12.017 -3.912 349 H SER 555 HN SER 555 -8.002 -13.912 3.474 350 HA SER 555 HA SER 555 -10.593 -14.973 3.814 351 HB2 SER 555 HB2 SER 555 -9.612 -16.059 5.835 352 HB3 SER 555 HB3 SER 555 -8.630 -16.270 4.386 353 HG SER 555 HG SER 555 -7.113 -15.009 5.197 354 H THR 556 HN THR 556 -9.063 -12.178 5.137 355 HA THR 556 HA THR 556 -11.201 -11.937 7.136 356 HB THR 556 HB THR 556 -9.791 -10.198 8.195 357 HG1 THR 556 HG1 THR 556 -8.541 -10.130 5.941 358 HG21 THR 556 HG21 THR 556 -8.429 -12.862 7.782 359 HG22 THR 556 HG22 THR 556 -9.668 -12.503 8.984 360 HG23 THR 556 HG23 THR 556 -8.088 -11.728 9.089 361 H ASN 557 HN ASN 557 -10.773 -11.127 4.085 362 HA ASN 557 HA ASN 557 -11.476 -9.494 2.655 363 HB2 ASN 557 HB2 ASN 557 -13.234 -8.797 5.010 364 HB3 ASN 557 HB3 ASN 557 -13.440 -8.149 3.389 365 HD21 ASN 557 HD21 ASN 557 -14.284 -9.404 1.802 366 HD22 ASN 557 HD22 ASN 557 -15.047 -10.930 2.106 367 H GLN 558 HN GLN 558 -9.113 -8.873 3.941 368 HA GLN 558 HA GLN 558 -9.307 -5.966 4.238 369 HB2 GLN 558 HB2 GLN 558 -7.905 -7.806 6.196 370 HB3 GLN 558 HB3 GLN 558 -7.817 -6.051 6.219 371 HG2 GLN 558 HG2 GLN 558 -10.435 -7.503 6.437 372 HG3 GLN 558 HG3 GLN 558 -9.413 -7.182 7.846 373 HE21 GLN 558 HE21 GLN 558 -10.867 -5.841 8.806 374 HE22 GLN 558 HE22 GLN 558 -11.249 -4.264 8.211 375 H ALA 559 HN ALA 559 -7.413 -4.860 3.676 376 HA ALA 559 HA ALA 559 -5.154 -6.478 2.750 377 HB1 ALA 559 HB1 ALA 559 -6.567 -6.112 0.788 378 HB2 ALA 559 HB2 ALA 559 -5.029 -5.261 0.644 379 HB3 ALA 559 HB3 ALA 559 -6.493 -4.372 1.058 380 H PHE 560 HN PHE 560 -3.194 -5.476 2.825 381 HA PHE 560 HA PHE 560 -3.153 -2.752 3.934 382 HB2 PHE 560 HB2 PHE 560 -1.198 -4.982 4.553 383 HB3 PHE 560 HB1 PHE 560 -1.210 -3.370 5.262 384 HD1 PHE 560 HD1 PHE 560 -2.482 -6.711 5.465 385 HD2 PHE 560 HD2 PHE 560 -3.180 -2.693 6.684 386 HE1 PHE 560 HE1 PHE 560 -3.992 -7.514 7.232 387 HE2 PHE 560 HE2 PHE 560 -4.688 -3.490 8.458 388 HZ PHE 560 HZ PHE 560 -5.097 -5.902 8.731 389 H LEU 561 HN LEU 561 -2.009 -1.333 2.794 390 HA LEU 561 HA LEU 561 -0.350 -2.378 0.596 391 HB2 LEU 561 HB2 LEU 561 -2.671 -1.418 0.072 392 HB3 LEU 561 HB1 LEU 561 -1.995 0.137 0.499 393 HG LEU 561 HG LEU 561 -0.362 -0.062 -1.320 394 HD11 LEU 561 HD11 LEU 561 -1.782 -2.659 -1.895 395 HD12 LEU 561 HD12 LEU 561 -0.104 -2.464 -1.388 396 HD13 LEU 561 HD13 LEU 561 -0.621 -1.877 -2.968 397 HD21 LEU 561 HD21 LEU 561 -1.938 0.164 -3.176 398 HD22 LEU 561 HD22 LEU 561 -2.512 1.016 -1.743 399 HD23 LEU 561 HD23 LEU 561 -3.214 -0.541 -2.183 400 H GLU 562 HN GLU 562 1.637 -1.462 0.353 401 HA GLU 562 HA GLU 562 2.422 0.459 2.430 402 HB2 GLU 562 HB2 GLU 562 3.615 -1.627 2.509 403 HB3 GLU 562 HB3 GLU 562 4.000 -1.531 0.800 404 HG2 GLU 562 HG2 GLU 562 5.927 -1.025 2.159 405 HG3 GLU 562 HG3 GLU 562 5.430 0.384 1.227 406 H MET 563 HN MET 563 3.330 2.381 1.962 407 HA MET 563 HA MET 563 3.348 3.132 -0.886 408 HB2 MET 563 HB2 MET 563 2.565 4.676 1.568 409 HB3 MET 563 HB3 MET 563 2.953 5.484 0.056 410 HG2 MET 563 HG2 MET 563 0.574 5.227 0.281 411 HG3 MET 563 HG3 MET 563 1.162 4.245 -1.057 412 HE1 MET 563 HE1 MET 563 -1.640 3.685 -0.287 413 HE2 MET 563 HE2 MET 563 -1.687 1.949 0.019 414 HE3 MET 563 HE3 MET 563 -0.750 2.577 -1.334 415 H ALA 564 HN ALA 564 4.910 4.449 -1.669 416 HA ALA 564 HA ALA 564 7.504 3.978 -0.669 417 HB1 ALA 564 HB1 ALA 564 6.607 5.937 -2.780 418 HB2 ALA 564 HB2 ALA 564 7.008 4.239 -3.048 419 HB3 ALA 564 HB3 ALA 564 8.257 5.369 -2.524 420 H TYR 565 HN TYR 565 5.278 6.603 -0.186 421 HA TYR 565 HA TYR 565 7.320 8.017 1.366 422 HB2 TYR 565 HB2 TYR 565 5.432 9.453 -0.509 423 HB3 TYR 565 HB3 TYR 565 6.770 10.146 0.399 424 HD1 TYR 565 HD1 TYR 565 5.745 8.792 -2.710 425 HD2 TYR 565 HD2 TYR 565 9.142 9.264 -0.191 426 HE1 TYR 565 HE1 TYR 565 7.219 8.401 -4.636 427 HE2 TYR 565 HE2 TYR 565 10.625 8.875 -2.112 428 HH TYR 565 HH TYR 565 10.501 7.727 -4.321 429 H THR 566 HN THR 566 6.531 9.123 3.126 430 HA THR 566 HA THR 566 4.102 8.282 4.252 431 HB THR 566 HB THR 566 5.859 9.074 5.708 432 HG1 THR 566 HG1 THR 566 4.607 10.403 7.035 433 HG21 THR 566 HG21 THR 566 5.459 11.781 4.430 434 HG22 THR 566 HG22 THR 566 6.887 10.757 4.289 435 HG23 THR 566 HG23 THR 566 6.458 11.462 5.847 436 H GLU 567 HN GLU 567 4.959 11.171 2.416 437 HA GLU 567 HA GLU 567 2.477 12.488 2.672 438 HB2 GLU 567 HB2 GLU 567 3.222 13.829 0.742 439 HB3 GLU 567 HB3 GLU 567 4.459 13.698 1.982 440 HG2 GLU 567 HG2 GLU 567 5.567 11.949 0.666 441 HG3 GLU 567 HG3 GLU 567 4.345 12.142 -0.590 442 H ALA 568 HN ALA 568 3.680 10.089 0.431 443 HA ALA 568 HA ALA 568 1.614 10.234 -1.465 444 HB1 ALA 568 HB1 ALA 568 3.310 7.867 -0.672 445 HB2 ALA 568 HB2 ALA 568 3.721 9.078 -1.885 446 HB3 ALA 568 HB3 ALA 568 2.350 8.000 -2.146 447 H ALA 569 HN ALA 569 2.010 8.261 1.449 448 HA ALA 569 HA ALA 569 -0.348 6.739 1.093 449 HB1 ALA 569 HB1 ALA 569 0.024 5.949 3.329 450 HB2 ALA 569 HB2 ALA 569 1.098 7.303 3.673 451 HB3 ALA 569 HB3 ALA 569 1.579 6.072 2.510 452 H GLN 570 HN GLN 570 0.366 9.603 3.059 453 HA GLN 570 HA GLN 570 -2.205 9.674 4.254 454 HB2 GLN 570 HB2 GLN 570 -1.541 11.875 5.100 455 HB3 GLN 570 HB3 GLN 570 -0.276 10.678 5.327 456 HG2 GLN 570 HG2 GLN 570 0.870 11.552 3.340 457 HG3 GLN 570 HG3 GLN 570 -0.358 12.811 3.224 458 HE21 GLN 570 HE21 GLN 570 2.320 11.579 5.073 459 HE22 GLN 570 HE22 GLN 570 2.605 13.012 6.000 460 H ALA 571 HN ALA 571 -0.768 11.393 1.514 461 HA ALA 571 HA ALA 571 -2.889 13.171 1.040 462 HB1 ALA 571 HB1 ALA 571 -0.946 12.056 -0.978 463 HB2 ALA 571 HB2 ALA 571 -0.651 13.444 0.068 464 HB3 ALA 571 HB3 ALA 571 -1.918 13.517 -1.156 465 H MET 572 HN MET 572 -2.281 9.904 -0.197 466 HA MET 572 HA MET 572 -4.430 9.915 -2.039 467 HB2 MET 572 HB2 MET 572 -4.049 7.624 -2.355 468 HB3 MET 572 HB3 MET 572 -2.469 8.276 -1.965 469 HG2 MET 572 HG2 MET 572 -2.532 7.371 0.219 470 HG3 MET 572 HG3 MET 572 -4.245 6.975 0.077 471 HE1 MET 572 HE1 MET 572 -0.638 6.212 -1.118 472 HE2 MET 572 HE2 MET 572 -1.461 6.475 -2.656 473 HE3 MET 572 HE3 MET 572 -0.877 4.867 -2.233 474 H VAL 573 HN VAL 573 -4.150 8.856 1.314 475 HA VAL 573 HA VAL 573 -6.748 7.774 1.465 476 HB VAL 573 HB VAL 573 -4.872 8.681 3.641 477 HG11 VAL 573 HG11 VAL 573 -7.004 8.826 4.632 478 HG12 VAL 573 HG12 VAL 573 -6.404 7.226 5.077 479 HG13 VAL 573 HG13 VAL 573 -7.583 7.398 3.778 480 HG21 VAL 573 HG21 VAL 573 -5.629 5.993 2.503 481 HG22 VAL 573 HG22 VAL 573 -4.646 6.221 3.949 482 HG23 VAL 573 HG23 VAL 573 -4.060 6.796 2.386 483 H GLN 574 HN GLN 574 -5.457 10.994 2.101 484 HA GLN 574 HA GLN 574 -7.731 12.084 3.308 485 HB2 GLN 574 HB2 GLN 574 -5.731 13.395 1.459 486 HB3 GLN 574 HB3 GLN 574 -6.934 14.272 2.393 487 HG2 GLN 574 HG2 GLN 574 -4.719 12.576 3.517 488 HG3 GLN 574 HG3 GLN 574 -4.752 14.338 3.458 489 HE21 GLN 574 HE21 GLN 574 -6.028 11.497 4.980 490 HE22 GLN 574 HE22 GLN 574 -6.785 12.298 6.308 491 H TYR 575 HN TYR 575 -6.904 11.615 -0.091 492 HA TYR 575 HA TYR 575 -9.321 12.719 -1.090 493 HB2 TYR 575 HB2 TYR 575 -7.287 12.395 -2.483 494 HB3 TYR 575 HB3 TYR 575 -7.558 10.655 -2.412 495 HD1 TYR 575 HD1 TYR 575 -9.031 13.850 -3.588 496 HD2 TYR 575 HD2 TYR 575 -9.084 9.605 -3.866 497 HE1 TYR 575 HE1 TYR 575 -10.509 14.002 -5.545 498 HE2 TYR 575 HE2 TYR 575 -10.566 9.745 -5.822 499 HH TYR 575 HH TYR 575 -11.153 12.687 -7.471 500 H TYR 576 HN TYR 576 -8.321 9.367 -0.382 501 HA TYR 576 HA TYR 576 -10.753 8.291 -1.407 502 HB2 TYR 576 HB2 TYR 576 -8.705 6.948 0.353 503 HB3 TYR 576 HB3 TYR 576 -9.974 6.139 -0.565 504 HD1 TYR 576 HD1 TYR 576 -6.739 6.147 -0.598 505 HD2 TYR 576 HD2 TYR 576 -9.810 7.629 -3.139 506 HE1 TYR 576 HE1 TYR 576 -5.208 6.030 -2.507 507 HE2 TYR 576 HE2 TYR 576 -8.282 7.511 -5.062 508 HH TYR 576 HH TYR 576 -5.438 5.805 -5.041 509 H GLN 577 HN GLN 577 -9.927 9.572 1.677 510 HA GLN 577 HA GLN 577 -11.994 8.241 3.111 511 HB2 GLN 577 HB2 GLN 577 -10.394 10.731 3.623 512 HB3 GLN 577 HB3 GLN 577 -11.733 10.286 4.675 513 HG2 GLN 577 HG2 GLN 577 -10.629 8.216 5.225 514 HG3 GLN 577 HG3 GLN 577 -9.341 8.568 4.072 515 HE21 GLN 577 HE21 GLN 577 -9.216 8.118 6.963 516 HE22 GLN 577 HE22 GLN 577 -8.476 9.522 7.631 517 H GLU 578 HN GLU 578 -11.869 11.104 1.106 518 HA GLU 578 HA GLU 578 -14.661 11.729 1.736 519 HB2 GLU 578 HB2 GLU 578 -12.638 13.256 0.089 520 HB3 GLU 578 HB3 GLU 578 -14.280 13.787 0.422 521 HG2 GLU 578 HG2 GLU 578 -13.711 13.732 2.856 522 HG3 GLU 578 HG3 GLU 578 -12.035 13.434 2.391 523 H LYS 579 HN LYS 579 -12.547 10.873 -0.941 524 HA LYS 579 HA LYS 579 -14.918 10.043 -2.488 525 HB2 LYS 579 HB2 LYS 579 -12.373 11.340 -3.472 526 HB3 LYS 579 HB3 LYS 579 -13.527 10.553 -4.534 527 HG2 LYS 579 HG2 LYS 579 -14.177 12.882 -2.741 528 HG3 LYS 579 HG3 LYS 579 -13.755 13.017 -4.449 529 HD2 LYS 579 HD2 LYS 579 -16.111 11.486 -3.336 530 HD3 LYS 579 HD3 LYS 579 -16.187 13.077 -4.095 531 HE2 LYS 579 HE2 LYS 579 -15.296 12.105 -6.172 532 HE3 LYS 579 HE3 LYS 579 -15.282 10.517 -5.410 533 HZ1 LYS 579 HZ1 LYS 579 -17.236 10.855 -6.800 534 HZ2 LYS 579 HZ2 LYS 579 -17.701 12.175 -5.851 535 HZ3 LYS 579 HZ3 LYS 579 -17.669 10.625 -5.180 536 HA PRO 580 HA PRO 580 -12.179 6.437 -1.572 537 HB2 PRO 580 HB2 PRO 580 -14.754 5.028 -1.371 538 HB3 PRO 580 HB3 PRO 580 -13.448 5.168 -0.182 539 HG2 PRO 580 HG2 PRO 580 -15.777 6.443 0.183 540 HG3 PRO 580 HG3 PRO 580 -14.233 7.201 0.640 541 HD2 PRO 580 HD2 PRO 580 -15.867 7.616 -1.852 542 HD3 PRO 580 HD3 PRO 580 -15.154 8.828 -0.761 543 H ALA 581 HN ALA 581 -11.945 4.360 -2.666 544 HA ALA 581 HA ALA 581 -12.614 4.681 -5.489 545 HB1 ALA 581 HB1 ALA 581 -10.865 3.090 -5.924 546 HB2 ALA 581 HB2 ALA 581 -10.726 2.710 -4.209 547 HB3 ALA 581 HB3 ALA 581 -10.260 4.306 -4.801 548 H ILE 582 HN ILE 582 -13.352 2.841 -6.744 549 HA ILE 582 HA ILE 582 -15.189 1.199 -5.131 550 HB ILE 582 HB ILE 582 -15.728 2.548 -7.780 551 HG12 ILE 582 HG12 ILE 582 -16.889 3.008 -5.030 552 HG13 ILE 582 HG13 ILE 582 -15.761 4.069 -5.853 553 HG21 ILE 582 HG21 ILE 582 -18.006 1.681 -7.574 554 HG22 ILE 582 HG22 ILE 582 -17.537 0.798 -6.122 555 HG23 ILE 582 HG23 ILE 582 -16.824 0.376 -7.679 556 HD11 ILE 582 HD11 ILE 582 -18.538 3.422 -6.805 557 HD12 ILE 582 HD12 ILE 582 -17.411 4.558 -7.548 558 HD13 ILE 582 HD13 ILE 582 -18.065 4.883 -5.942 559 H ILE 583 HN ILE 583 -15.203 -0.927 -5.497 560 HA ILE 583 HA ILE 583 -14.209 -1.894 -8.102 561 HB ILE 583 HB ILE 583 -14.029 -3.284 -5.422 562 HG12 ILE 583 HG12 ILE 583 -11.915 -2.259 -7.326 563 HG13 ILE 583 HG13 ILE 583 -12.271 -1.646 -5.714 564 HG21 ILE 583 HG21 ILE 583 -12.976 -5.143 -6.601 565 HG22 ILE 583 HG22 ILE 583 -13.250 -4.329 -8.141 566 HG23 ILE 583 HG23 ILE 583 -14.622 -4.877 -7.178 567 HD11 ILE 583 HD11 ILE 583 -10.291 -2.973 -5.597 568 HD12 ILE 583 HD12 ILE 583 -11.080 -4.313 -6.425 569 HD13 ILE 583 HD13 ILE 583 -11.592 -3.861 -4.801 570 H ASN 584 HN ASN 584 -15.842 -2.566 -9.306 571 HA ASN 584 HA ASN 584 -17.721 -3.606 -10.025 572 HB2 ASN 584 HB2 ASN 584 -17.280 -5.286 -7.550 573 HB3 ASN 584 HB3 ASN 584 -18.437 -5.667 -8.819 574 HD21 ASN 584 HD21 ASN 584 -16.277 -7.282 -7.952 575 HD22 ASN 584 HD22 ASN 584 -15.220 -7.500 -9.304 576 H GLY 585 HN GLY 585 -18.123 -1.253 -8.553 577 HA2 GLY 585 HA2 GLY 585 -20.083 -0.106 -8.036 578 HA3 GLY 585 HA1 GLY 585 -20.914 -1.646 -7.886 579 H GLU 586 HN GLU 586 -18.169 -1.928 -6.106 580 HA GLU 586 HA GLU 586 -19.608 -1.206 -3.653 581 HB2 GLU 586 HB2 GLU 586 -17.249 -3.069 -3.999 582 HB3 GLU 586 HB3 GLU 586 -18.167 -2.807 -2.518 583 HG2 GLU 586 HG2 GLU 586 -20.168 -3.698 -3.608 584 HG3 GLU 586 HG3 GLU 586 -19.225 -3.984 -5.070 585 H LYS 587 HN LYS 587 -18.904 0.405 -2.440 586 HA LYS 587 HA LYS 587 -16.554 1.862 -3.281 587 HB2 LYS 587 HB2 LYS 587 -18.575 2.410 -1.098 588 HB3 LYS 587 HB3 LYS 587 -17.268 3.497 -1.546 589 HG2 LYS 587 HG2 LYS 587 -18.208 3.809 -3.739 590 HG3 LYS 587 HG3 LYS 587 -19.451 2.602 -3.415 591 HD2 LYS 587 HD2 LYS 587 -20.384 4.823 -3.169 592 HD3 LYS 587 HD3 LYS 587 -20.321 4.028 -1.596 593 HE2 LYS 587 HE2 LYS 587 -18.248 5.252 -1.082 594 HE3 LYS 587 HE3 LYS 587 -18.356 6.068 -2.640 595 HZ1 LYS 587 HZ1 LYS 587 -19.226 7.476 -0.918 596 HZ2 LYS 587 HZ2 LYS 587 -20.297 6.275 -0.406 597 HZ3 LYS 587 HZ3 LYS 587 -20.501 6.994 -1.921 598 H LEU 588 HN LEU 588 -14.632 1.278 -2.583 599 HA LEU 588 HA LEU 588 -14.318 -0.111 -0.050 600 HB2 LEU 588 HB2 LEU 588 -12.248 0.772 -2.057 601 HB3 LEU 588 HB1 LEU 588 -11.952 -0.246 -0.664 602 HG LEU 588 HG LEU 588 -13.515 -0.950 -3.136 603 HD11 LEU 588 HD11 LEU 588 -11.749 -2.711 -3.242 604 HD12 LEU 588 HD12 LEU 588 -10.940 -1.895 -1.901 605 HD13 LEU 588 HD13 LEU 588 -11.157 -1.064 -3.441 606 HD21 LEU 588 HD21 LEU 588 -14.659 -1.891 -1.200 607 HD22 LEU 588 HD22 LEU 588 -13.135 -2.548 -0.603 608 HD23 LEU 588 HD23 LEU 588 -13.831 -3.158 -2.105 609 H LEU 589 HN LEU 589 -13.844 0.907 1.779 610 HA LEU 589 HA LEU 589 -13.070 3.688 1.702 611 HB2 LEU 589 HB2 LEU 589 -14.631 2.762 3.424 612 HB3 LEU 589 HB1 LEU 589 -13.303 1.817 4.066 613 HG LEU 589 HG LEU 589 -12.108 3.894 4.636 614 HD11 LEU 589 HD11 LEU 589 -13.003 5.368 2.934 615 HD12 LEU 589 HD12 LEU 589 -13.313 6.036 4.537 616 HD13 LEU 589 HD13 LEU 589 -14.613 5.246 3.645 617 HD21 LEU 589 HD21 LEU 589 -14.919 3.721 5.709 618 HD22 LEU 589 HD22 LEU 589 -13.578 4.574 6.472 619 HD23 LEU 589 HD23 LEU 589 -13.521 2.820 6.296 620 H ILE 590 HN ILE 590 -11.066 4.041 1.068 621 HA ILE 590 HA ILE 590 -8.890 2.324 2.009 622 HB ILE 590 HB ILE 590 -8.762 4.695 0.131 623 HG12 ILE 590 HG12 ILE 590 -8.921 1.754 -0.532 624 HG13 ILE 590 HG13 ILE 590 -10.147 2.967 -0.855 625 HG21 ILE 590 HG21 ILE 590 -6.586 3.761 -0.526 626 HG22 ILE 590 HG22 ILE 590 -6.765 2.519 0.713 627 HG23 ILE 590 HG23 ILE 590 -6.638 4.214 1.177 628 HD11 ILE 590 HD11 ILE 590 -8.905 2.419 -2.871 629 HD12 ILE 590 HD12 ILE 590 -7.398 2.887 -2.082 630 HD13 ILE 590 HD13 ILE 590 -8.636 4.100 -2.408 631 H ARG 591 HN ARG 591 -7.909 2.859 3.855 632 HA ARG 591 HA ARG 591 -7.725 5.688 4.594 633 HB2 ARG 591 HB2 ARG 591 -9.146 3.572 6.143 634 HB3 ARG 591 HB3 ARG 591 -8.333 4.870 7.002 635 HG2 ARG 591 HG2 ARG 591 -9.650 6.488 5.629 636 HG3 ARG 591 HG3 ARG 591 -10.567 5.115 5.010 637 HD2 ARG 591 HD2 ARG 591 -11.267 4.543 7.266 638 HD3 ARG 591 HD3 ARG 591 -10.300 5.866 7.916 639 HE ARG 591 HE ARG 591 -12.262 6.691 5.981 640 HH11 ARG 591 HH11 ARG 591 -11.648 6.027 9.358 641 HH12 ARG 591 HH12 ARG 591 -12.962 7.009 9.922 642 HH21 ARG 591 HH21 ARG 591 -13.995 7.995 6.717 643 HH22 ARG 591 HH22 ARG 591 -14.292 8.137 8.420 644 H MET 592 HN MET 592 -6.372 6.046 6.545 645 HA MET 592 HA MET 592 -3.820 4.916 6.128 646 HB2 MET 592 HB2 MET 592 -4.834 6.429 8.550 647 HB3 MET 592 HB3 MET 592 -3.152 6.192 8.110 648 HG2 MET 592 HG2 MET 592 -4.863 7.524 6.088 649 HG3 MET 592 HG3 MET 592 -4.533 8.415 7.571 650 HE1 MET 592 HE1 MET 592 -2.815 6.485 4.568 651 HE2 MET 592 HE2 MET 592 -1.993 5.810 5.973 652 HE3 MET 592 HE3 MET 592 -1.117 6.855 4.853 653 H SER 593 HN SER 593 -2.773 3.223 7.144 654 HA SER 593 HA SER 593 -4.494 1.398 8.573 655 HB2 SER 593 HB2 SER 593 -2.907 0.621 6.812 656 HB3 SER 593 HB3 SER 593 -1.571 1.074 7.867 657 HG SER 593 HG SER 593 -2.111 -1.148 8.032 658 H THR 594 HN THR 594 -4.579 1.101 10.673 659 HA THR 594 HA THR 594 -2.628 2.429 12.397 660 HB THR 594 HB THR 594 -4.289 1.799 14.210 661 HG1 THR 594 HG1 THR 594 -6.279 1.048 13.582 662 HG21 THR 594 HG21 THR 594 -5.251 3.554 11.949 663 HG22 THR 594 HG22 THR 594 -4.213 4.050 13.285 664 HG23 THR 594 HG23 THR 594 -5.882 3.575 13.595 665 H ARG 595 HN ARG 595 -3.697 -0.660 11.314 666 HA ARG 595 HA ARG 595 -2.572 -2.210 13.436 667 HB2 ARG 595 HB2 ARG 595 -3.490 -2.961 10.658 668 HB3 ARG 595 HB3 ARG 595 -2.936 -4.124 11.853 669 HG2 ARG 595 HG2 ARG 595 -4.748 -3.500 13.337 670 HG3 ARG 595 HG3 ARG 595 -5.288 -2.276 12.189 671 HD2 ARG 595 HD2 ARG 595 -6.630 -4.322 12.045 672 HD3 ARG 595 HD3 ARG 595 -5.765 -3.996 10.544 673 HE ARG 595 HE ARG 595 -4.244 -5.720 12.190 674 HH11 ARG 595 HH11 ARG 595 -7.104 -5.697 10.180 675 HH12 ARG 595 HH12 ARG 595 -6.993 -7.379 9.779 676 HH21 ARG 595 HH21 ARG 595 -4.101 -7.944 11.676 677 HH22 ARG 595 HH22 ARG 595 -5.284 -8.662 10.631 678 H TYR 596 HN TYR 596 -1.512 -1.223 10.218 679 HA TYR 596 HA TYR 596 1.200 -2.116 10.951 680 HB2 TYR 596 HB2 TYR 596 -0.107 -2.174 8.226 681 HB3 TYR 596 HB3 TYR 596 1.619 -2.380 8.479 682 HD1 TYR 596 HD1 TYR 596 2.502 -4.508 9.013 683 HD2 TYR 596 HD2 TYR 596 -1.693 -3.854 9.255 684 HE1 TYR 596 HE1 TYR 596 2.152 -6.917 9.357 685 HE2 TYR 596 HE2 TYR 596 -2.055 -6.261 9.598 686 HH TYR 596 HH TYR 596 -0.986 -8.357 9.249 687 H LYS 597 HN LYS 597 2.728 -0.602 10.876 688 HA LYS 597 HA LYS 597 2.061 2.048 9.864 689 HB2 LYS 597 HB2 LYS 597 3.193 1.762 12.077 690 HB3 LYS 597 HB3 LYS 597 4.586 1.101 11.234 691 HG2 LYS 597 HG2 LYS 597 4.748 3.260 9.982 692 HG3 LYS 597 HG3 LYS 597 3.497 3.897 11.050 693 HD2 LYS 597 HD2 LYS 597 4.924 3.410 12.988 694 HD3 LYS 597 HD3 LYS 597 6.180 2.817 11.901 695 HE2 LYS 597 HE2 LYS 597 6.276 5.048 10.848 696 HE3 LYS 597 HE3 LYS 597 5.075 5.622 12.004 697 HZ1 LYS 597 HZ1 LYS 597 7.770 4.577 12.679 698 HZ2 LYS 597 HZ2 LYS 597 6.618 5.100 13.795 699 HZ3 LYS 597 HZ3 LYS 597 7.302 6.200 12.712 700 H GLU 598 HN GLU 598 4.254 -0.612 9.318 701 HA GLU 598 HA GLU 598 4.775 0.268 6.593 702 HB2 GLU 598 HB2 GLU 598 7.246 -0.127 6.939 703 HB3 GLU 598 HB3 GLU 598 6.611 1.325 7.697 704 HG2 GLU 598 HG2 GLU 598 6.502 0.119 9.845 705 HG3 GLU 598 HG3 GLU 598 7.231 -1.284 9.066 706 H LEU 599 HN LEU 599 5.239 -1.439 5.226 707 HA LEU 599 HA LEU 599 4.684 -4.082 6.295 708 HB2 LEU 599 HB2 LEU 599 5.196 -3.130 3.480 709 HB3 LEU 599 HB1 LEU 599 4.900 -4.806 3.910 710 HG LEU 599 HG LEU 599 2.954 -2.510 4.178 711 HD11 LEU 599 HD11 LEU 599 2.908 -5.016 2.514 712 HD12 LEU 599 HD12 LEU 599 3.194 -3.383 1.916 713 HD13 LEU 599 HD13 LEU 599 1.626 -3.811 2.604 714 HD21 LEU 599 HD21 LEU 599 2.590 -3.923 6.066 715 HD22 LEU 599 HD22 LEU 599 2.724 -5.371 5.068 716 HD23 LEU 599 HD23 LEU 599 1.347 -4.287 4.865 717 H GLN 600 HN GLN 600 6.268 -5.060 7.268 718 HA GLN 600 HA GLN 600 9.008 -4.659 6.331 719 HB2 GLN 600 HB2 GLN 600 8.039 -5.918 8.902 720 HB3 GLN 600 HB3 GLN 600 9.700 -5.497 8.504 721 HG2 GLN 600 HG2 GLN 600 9.039 -3.124 8.395 722 HG3 GLN 600 HG3 GLN 600 7.410 -3.582 8.886 723 HE21 GLN 600 HE21 GLN 600 9.308 -1.821 10.202 724 HE22 GLN 600 HE22 GLN 600 9.559 -2.485 11.780 725 H LEU 601 HN LEU 601 8.020 -6.075 4.525 726 HA LEU 601 HA LEU 601 7.586 -8.821 4.927 727 HB2 LEU 601 HB2 LEU 601 8.625 -7.444 2.447 728 HB3 LEU 601 HB1 LEU 601 7.916 -9.044 2.514 729 HG LEU 601 HG LEU 601 6.489 -6.438 3.052 730 HD11 LEU 601 HD11 LEU 601 5.226 -7.001 1.040 731 HD12 LEU 601 HD12 LEU 601 6.221 -8.439 0.815 732 HD13 LEU 601 HD13 LEU 601 6.947 -6.836 0.693 733 HD21 LEU 601 HD21 LEU 601 5.457 -9.270 3.116 734 HD22 LEU 601 HD22 LEU 601 4.466 -7.815 3.222 735 HD23 LEU 601 HD23 LEU 601 5.625 -8.187 4.497 736 H LYS 602 HN LYS 602 8.932 -10.599 4.587 737 HA LYS 602 HA LYS 602 11.570 -10.177 5.637 738 HB2 LYS 602 HB2 LYS 602 10.037 -12.024 6.339 739 HB3 LYS 602 HB3 LYS 602 10.260 -12.753 4.758 740 HG2 LYS 602 HG2 LYS 602 12.628 -13.052 5.198 741 HG3 LYS 602 HG3 LYS 602 12.452 -12.252 6.762 742 HD2 LYS 602 HD2 LYS 602 10.868 -14.018 7.449 743 HD3 LYS 602 HD3 LYS 602 11.140 -14.833 5.909 744 HE2 LYS 602 HE2 LYS 602 13.483 -15.135 6.454 745 HE3 LYS 602 HE3 LYS 602 13.270 -14.241 7.960 746 HZ1 LYS 602 HZ1 LYS 602 13.256 -16.586 8.400 747 HZ2 LYS 602 HZ2 LYS 602 12.030 -16.847 7.268 748 HZ3 LYS 602 HZ3 LYS 602 11.703 -15.974 8.678 749 H LYS 603 HN LYS 603 12.060 -8.890 3.598 750 HA LYS 603 HA LYS 603 13.280 -10.689 1.600 751 HB2 LYS 603 HB2 LYS 603 12.543 -7.780 1.222 752 HB3 LYS 603 HB3 LYS 603 13.186 -8.862 -0.001 753 HG2 LYS 603 HG2 LYS 603 11.084 -10.252 0.353 754 HG3 LYS 603 HG3 LYS 603 10.458 -8.860 1.241 755 HD2 LYS 603 HD2 LYS 603 11.371 -8.910 -1.635 756 HD3 LYS 603 HD3 LYS 603 9.712 -8.763 -1.061 757 HE2 LYS 603 HE2 LYS 603 11.904 -6.766 -0.513 758 HE3 LYS 603 HE3 LYS 603 10.714 -6.615 -1.800 759 HZ1 LYS 603 HZ1 LYS 603 8.970 -6.516 -0.165 760 HZ2 LYS 603 HZ2 LYS 603 10.131 -5.340 0.183 761 HZ3 LYS 603 HZ3 LYS 603 10.074 -6.759 1.094 762 HA PRO 604 HA PRO 604 16.882 -9.360 3.977 763 HB2 PRO 604 HB2 PRO 604 18.217 -10.868 1.792 764 HB3 PRO 604 HB3 PRO 604 18.411 -11.014 3.541 765 HG2 PRO 604 HG2 PRO 604 17.051 -12.839 2.146 766 HG3 PRO 604 HG3 PRO 604 16.539 -12.350 3.772 767 HD2 PRO 604 HD2 PRO 604 15.387 -11.620 1.120 768 HD3 PRO 604 HD3 PRO 604 14.572 -11.886 2.674 769 H GLY 605 HN GLY 605 16.605 -9.207 0.460 770 HA2 GLY 605 HA2 GLY 605 17.226 -7.576 -1.028 771 HA3 GLY 605 HA1 GLY 605 17.510 -6.518 0.348 772 H LYS 606 HN LYS 606 19.369 -5.687 -0.637 773 HA LYS 606 HA LYS 606 21.677 -7.515 -0.582 774 HB2 LYS 606 HB2 LYS 606 21.301 -5.085 -2.350 775 HB3 LYS 606 HB3 LYS 606 22.699 -6.149 -2.342 776 HG2 LYS 606 HG2 LYS 606 19.921 -7.084 -3.021 777 HG3 LYS 606 HG3 LYS 606 21.068 -6.496 -4.224 778 HD2 LYS 606 HD2 LYS 606 21.616 -8.788 -2.345 779 HD3 LYS 606 HD3 LYS 606 20.989 -8.982 -3.981 780 HE2 LYS 606 HE2 LYS 606 23.602 -7.661 -3.259 781 HE3 LYS 606 HE3 LYS 606 23.426 -9.308 -3.857 782 HZ1 LYS 606 HZ1 LYS 606 24.038 -7.793 -5.627 783 HZ2 LYS 606 HZ2 LYS 606 22.674 -6.838 -5.333 784 HZ3 LYS 606 HZ3 LYS 606 22.493 -8.420 -5.905 785 H ASN 607 HN ASN 607 22.791 -7.067 1.225 786 HA ASN 607 HA ASN 607 22.671 -4.364 2.303 787 HB2 ASN 607 HB2 ASN 607 23.821 -5.380 4.307 788 HB3 ASN 607 HB3 ASN 607 22.214 -5.994 3.958 789 HD21 ASN 607 HD21 ASN 607 22.567 -7.870 5.097 790 HD22 ASN 607 HD22 ASN 607 23.594 -9.135 4.518 791 H VAL 608 HN VAL 608 24.919 -6.484 0.733 792 HA VAL 608 HA VAL 608 27.246 -4.926 1.401 793 HB VAL 608 HB VAL 608 26.930 -6.911 -0.858 794 HG11 VAL 608 HG11 VAL 608 29.387 -5.851 0.533 795 HG12 VAL 608 HG12 VAL 608 28.866 -5.465 -1.107 796 HG13 VAL 608 HG13 VAL 608 29.370 -7.105 -0.706 797 HG21 VAL 608 HG21 VAL 608 26.378 -7.954 1.277 798 HG22 VAL 608 HG22 VAL 608 27.904 -7.384 1.954 799 HG23 VAL 608 HG23 VAL 608 27.907 -8.565 0.644 800 H ALA 609 HN ALA 609 25.684 -5.596 -1.725 801 HA ALA 609 HA ALA 609 26.581 -3.056 -2.781 802 HB1 ALA 609 HB1 ALA 609 26.578 -4.957 -4.273 803 HB2 ALA 609 HB2 ALA 609 25.398 -3.773 -4.836 804 HB3 ALA 609 HB3 ALA 609 24.859 -5.222 -3.985 805 H ALA 610 HN ALA 610 25.581 -1.455 -1.721 806 HA ALA 610 HA ALA 610 23.109 -1.460 -0.523 807 HB1 ALA 610 HB1 ALA 610 24.858 0.209 -0.122 808 HB2 ALA 610 HB2 ALA 610 23.290 0.952 -0.432 809 HB3 ALA 610 HB3 ALA 610 24.520 0.927 -1.696 810 H ILE 611 HN ILE 611 21.071 -1.272 -1.151 811 HA ILE 611 HA ILE 611 20.393 -1.142 -3.930 812 HB ILE 611 HB ILE 611 18.571 -1.024 -1.514 813 HG12 ILE 611 HG12 ILE 611 19.929 -3.094 -1.627 814 HG13 ILE 611 HG13 ILE 611 18.213 -3.406 -1.866 815 HG21 ILE 611 HG21 ILE 611 17.500 -0.154 -3.526 816 HG22 ILE 611 HG22 ILE 611 16.803 -1.708 -3.067 817 HG23 ILE 611 HG23 ILE 611 17.946 -1.616 -4.406 818 HD11 ILE 611 HD11 ILE 611 19.510 -4.728 -3.398 819 HD12 ILE 611 HD12 ILE 611 20.328 -3.289 -4.002 820 HD13 ILE 611 HD13 ILE 611 18.604 -3.510 -4.295 821 H ILE 612 HN ILE 612 21.236 0.868 -4.546 822 HA ILE 612 HA ILE 612 19.674 3.183 -3.626 823 HB ILE 612 HB ILE 612 22.435 3.127 -4.840 824 HG12 ILE 612 HG12 ILE 612 21.569 3.829 -2.026 825 HG13 ILE 612 HG13 ILE 612 22.294 2.294 -2.496 826 HG21 ILE 612 HG21 ILE 612 20.766 5.430 -3.829 827 HG22 ILE 612 HG22 ILE 612 21.257 5.134 -5.497 828 HG23 ILE 612 HG23 ILE 612 22.466 5.542 -4.280 829 HD11 ILE 612 HD11 ILE 612 24.318 3.506 -3.198 830 HD12 ILE 612 HD12 ILE 612 23.950 3.710 -1.486 831 HD13 ILE 612 HD13 ILE 612 23.588 5.006 -2.626 832 H GLN 613 HN GLN 613 18.052 3.369 -5.020 833 HA GLN 613 HA GLN 613 18.384 2.635 -7.802 834 HB2 GLN 613 HB2 GLN 613 16.014 3.579 -6.191 835 HB3 GLN 613 HB3 GLN 613 15.932 3.225 -7.911 836 HG2 GLN 613 HG2 GLN 613 16.732 1.271 -5.769 837 HG3 GLN 613 HG3 GLN 613 15.144 1.365 -6.528 838 HE21 GLN 613 HE21 GLN 613 16.222 1.968 -9.163 839 HE22 GLN 613 HE22 GLN 613 16.892 0.491 -9.759 840 H ASP 614 HN ASP 614 19.660 5.059 -6.557 841 HA ASP 614 HA ASP 614 20.363 7.078 -7.313 842 HB2 ASP 614 HB2 ASP 614 20.151 6.119 -9.580 843 HB3 ASP 614 HB3 ASP 614 18.474 6.651 -9.635 844 H ILE 615 HN ILE 615 16.865 6.680 -7.794 845 HA ILE 615 HA ILE 615 16.501 9.268 -6.459 846 HB ILE 615 HB ILE 615 14.044 8.834 -7.436 847 HG12 ILE 615 HG12 ILE 615 14.478 8.130 -9.892 848 HG13 ILE 615 HG13 ILE 615 15.927 7.355 -9.265 849 HG21 ILE 615 HG21 ILE 615 15.361 10.841 -7.715 850 HG22 ILE 615 HG22 ILE 615 14.638 10.359 -9.249 851 HG23 ILE 615 HG23 ILE 615 16.347 10.048 -8.943 852 HD11 ILE 615 HD11 ILE 615 14.112 5.770 -9.492 853 HD12 ILE 615 HD12 ILE 615 13.097 6.753 -8.437 854 HD13 ILE 615 HD13 ILE 615 14.546 5.978 -7.795 855 H HIS 616 HN HIS 616 16.159 9.040 -4.395 856 HA HIS 616 HA HIS 616 15.132 8.564 -2.448 857 HB2 HIS 616 HB2 HIS 616 13.016 7.479 -4.299 858 HB3 HIS 616 HB3 HIS 616 12.824 7.536 -2.548 859 HD1 HIS 616 HD1 HIS 616 12.429 9.559 -5.563 860 HD2 HIS 616 HD2 HIS 616 12.902 10.254 -1.493 861 HE1 HIS 616 HE1 HIS 616 11.729 11.943 -5.202 862 HE2 HIS 616 HE2 HIS 616 12.104 12.371 -2.750 863 H SER 617 HN SER 617 16.921 7.191 -2.048 864 HA SER 617 HA SER 617 16.000 4.544 -1.309 865 HB2 SER 617 HB2 SER 617 18.491 4.957 -2.986 866 HB3 SER 617 HB3 SER 617 18.012 3.434 -2.237 867 HG SER 617 HG SER 617 16.012 4.543 -3.728 868 H GLN 618 HN GLN 618 16.164 5.123 0.827 869 HA GLN 618 HA GLN 618 18.459 6.576 1.799 870 HB2 GLN 618 HB2 GLN 618 16.188 5.309 3.344 871 HB3 GLN 618 HB3 GLN 618 17.331 6.495 3.961 872 HG2 GLN 618 HG2 GLN 618 15.276 6.937 1.806 873 HG3 GLN 618 HG3 GLN 618 15.217 7.549 3.456 874 HE21 GLN 618 HE21 GLN 618 16.550 9.253 4.045 875 HE22 GLN 618 HE22 GLN 618 17.333 10.257 2.875 876 H ARG 619 HN ARG 619 19.584 4.464 0.757 877 HA ARG 619 HA ARG 619 20.382 2.808 3.055 878 HB2 ARG 619 HB2 ARG 619 19.932 1.795 0.234 879 HB3 ARG 619 HB3 ARG 619 20.578 0.849 1.565 880 HG2 ARG 619 HG2 ARG 619 17.803 2.002 1.375 881 HG3 ARG 619 HG3 ARG 619 18.257 0.306 1.188 882 HD2 ARG 619 HD2 ARG 619 18.550 1.969 3.688 883 HD3 ARG 619 HD3 ARG 619 17.340 0.720 3.405 884 HE ARG 619 HE ARG 619 19.663 -0.610 3.063 885 HH11 ARG 619 HH11 ARG 619 18.464 1.470 5.611 886 HH12 ARG 619 HH12 ARG 619 19.358 0.671 6.864 887 HH21 ARG 619 HH21 ARG 619 20.819 -1.690 4.725 888 HH22 ARG 619 HH22 ARG 619 20.688 -1.129 6.362 889 H GLU 620 HN GLU 620 21.665 5.087 2.286 890 HA GLU 620 HA GLU 620 23.620 4.764 0.259 891 HB2 GLU 620 HB2 GLU 620 23.555 6.672 2.598 892 HB3 GLU 620 HB3 GLU 620 24.585 6.827 1.185 893 HG2 GLU 620 HG2 GLU 620 21.618 6.714 0.877 894 HG3 GLU 620 HG3 GLU 620 22.409 8.214 1.354 895 H ARG 621 HN ARG 621 25.669 4.011 0.327 896 HA ARG 621 HA ARG 621 26.877 3.494 2.962 897 HB2 ARG 621 HB2 ARG 621 26.988 1.792 0.475 898 HB3 ARG 621 HB3 ARG 621 28.195 1.661 1.742 899 HG2 ARG 621 HG2 ARG 621 26.356 1.158 3.344 900 HG3 ARG 621 HG3 ARG 621 25.248 1.114 1.971 901 HD2 ARG 621 HD2 ARG 621 26.018 -1.135 2.601 902 HD3 ARG 621 HD3 ARG 621 26.523 -0.699 0.968 903 HE ARG 621 HE ARG 621 28.674 0.009 2.383 904 HH11 ARG 621 HH11 ARG 621 26.759 -2.924 2.503 905 HH12 ARG 621 HH12 ARG 621 28.099 -3.925 2.965 906 HH21 ARG 621 HH21 ARG 621 30.436 -1.318 2.960 907 HH22 ARG 621 HH22 ARG 621 30.187 -3.016 3.215 Start of MODEL 22 1 H1 GLY 510 HT1 GLY 510 17.182 -4.043 2.575 2 H2 GLY 510 HT2 GLY 510 16.209 -4.721 3.778 3 H3 GLY 510 HT3 GLY 510 16.551 -3.066 3.802 4 HA2 GLY 510 HA1 GLY 510 14.955 -4.483 1.740 5 HA3 GLY 510 HA2 GLY 510 14.306 -3.458 3.012 6 H ALA 511 HN ALA 511 16.917 -3.231 0.587 7 HA ALA 511 HA ALA 511 16.410 -0.397 0.306 8 HB1 ALA 511 HB1 ALA 511 18.414 -2.142 -1.118 9 HB2 ALA 511 HB2 ALA 511 18.710 -1.250 0.373 10 HB3 ALA 511 HB3 ALA 511 18.371 -0.380 -1.123 11 H MET 512 HN MET 512 15.011 -3.077 -0.977 12 HA MET 512 HA MET 512 14.839 -2.545 -3.730 13 HB2 MET 512 HB2 MET 512 12.763 -3.861 -1.965 14 HB3 MET 512 HB3 MET 512 12.835 -3.961 -3.718 15 HG2 MET 512 HG2 MET 512 15.046 -5.076 -3.498 16 HG3 MET 512 HG3 MET 512 14.810 -5.092 -1.754 17 HE1 MET 512 HE1 MET 512 14.271 -8.846 -2.768 18 HE2 MET 512 HE2 MET 512 15.188 -7.728 -1.760 19 HE3 MET 512 HE3 MET 512 15.395 -7.709 -3.511 20 H ALA 513 HN ALA 513 13.202 -1.193 -0.990 21 HA ALA 513 HA ALA 513 12.005 0.871 -2.580 22 HB1 ALA 513 HB1 ALA 513 10.191 -1.055 -1.128 23 HB2 ALA 513 HB2 ALA 513 10.399 -0.980 -2.878 24 HB3 ALA 513 HB3 ALA 513 9.702 0.390 -2.014 25 H GLN 514 HN GLN 514 10.023 1.559 -0.627 26 HA GLN 514 HA GLN 514 9.812 2.878 1.198 27 HB2 GLN 514 HB2 GLN 514 11.802 0.914 2.345 28 HB3 GLN 514 HB3 GLN 514 10.899 2.092 3.291 29 HG2 GLN 514 HG2 GLN 514 9.786 -0.213 1.715 30 HG3 GLN 514 HG3 GLN 514 9.813 -0.025 3.468 31 HE21 GLN 514 HE21 GLN 514 8.370 1.391 4.446 32 HE22 GLN 514 HE22 GLN 514 6.980 2.003 3.619 33 H ARG 515 HN ARG 515 10.773 4.581 -0.027 34 HA ARG 515 HA ARG 515 13.589 5.120 0.310 35 HB2 ARG 515 HB2 ARG 515 11.426 6.814 -0.955 36 HB3 ARG 515 HB3 ARG 515 13.159 7.083 -1.087 37 HG2 ARG 515 HG2 ARG 515 11.602 4.756 -2.179 38 HG3 ARG 515 HG3 ARG 515 12.360 6.057 -3.098 39 HD2 ARG 515 HD2 ARG 515 14.557 5.320 -2.403 40 HD3 ARG 515 HD3 ARG 515 13.846 4.092 -1.357 41 HE ARG 515 HE ARG 515 13.222 3.956 -4.204 42 HH11 ARG 515 HH11 ARG 515 15.104 2.735 -1.506 43 HH12 ARG 515 HH12 ARG 515 15.487 1.236 -2.297 44 HH21 ARG 515 HH21 ARG 515 13.726 1.985 -5.222 45 HH22 ARG 515 HH22 ARG 515 14.702 0.807 -4.399 46 H LYS 516 HN LYS 516 10.566 6.776 1.121 47 HA LYS 516 HA LYS 516 11.917 8.565 2.935 48 HB2 LYS 516 HB2 LYS 516 8.973 8.147 2.362 49 HB3 LYS 516 HB3 LYS 516 9.635 9.435 3.360 50 HG2 LYS 516 HG2 LYS 516 10.254 9.041 0.439 51 HG3 LYS 516 HG3 LYS 516 9.045 10.156 1.072 52 HD2 LYS 516 HD2 LYS 516 10.814 11.332 2.321 53 HD3 LYS 516 HD3 LYS 516 12.011 10.234 1.632 54 HE2 LYS 516 HE2 LYS 516 11.475 11.020 -0.605 55 HE3 LYS 516 HE3 LYS 516 10.222 12.072 0.045 56 HZ1 LYS 516 HZ1 LYS 516 11.951 13.265 1.275 57 HZ2 LYS 516 HZ2 LYS 516 12.211 13.327 -0.392 58 HZ3 LYS 516 HZ3 LYS 516 13.134 12.286 0.569 59 H GLY 517 HN GLY 517 12.487 7.930 4.895 60 HA2 GLY 517 HA2 GLY 517 11.468 5.562 6.125 61 HA3 GLY 517 HA1 GLY 517 12.572 6.721 6.854 62 H ALA 518 HN ALA 518 9.213 6.189 6.021 63 HA ALA 518 HA ALA 518 8.008 7.100 8.332 64 HB1 ALA 518 HB1 ALA 518 9.008 9.280 7.848 65 HB2 ALA 518 HB2 ALA 518 7.249 9.349 7.727 66 HB3 ALA 518 HB3 ALA 518 8.233 9.288 6.265 67 H GLY 519 HN GLY 519 8.027 6.384 4.992 68 HA2 GLY 519 HA2 GLY 519 5.508 6.665 4.035 69 HA3 GLY 519 HA1 GLY 519 6.481 5.233 3.734 70 H ARG 520 HN ARG 520 3.533 5.835 4.338 71 HA ARG 520 HA ARG 520 3.200 4.231 6.775 72 HB2 ARG 520 HB2 ARG 520 1.329 6.173 5.415 73 HB3 ARG 520 HB3 ARG 520 0.908 5.214 6.827 74 HG2 ARG 520 HG2 ARG 520 2.656 6.350 8.108 75 HG3 ARG 520 HG3 ARG 520 3.056 7.318 6.686 76 HD2 ARG 520 HD2 ARG 520 0.716 8.152 6.667 77 HD3 ARG 520 HD3 ARG 520 0.435 7.282 8.174 78 HE ARG 520 HE ARG 520 2.668 8.968 8.457 79 HH11 ARG 520 HH11 ARG 520 -0.819 9.115 8.176 80 HH12 ARG 520 HH12 ARG 520 -0.953 10.614 9.039 81 HH21 ARG 520 HH21 ARG 520 2.499 10.943 9.581 82 HH22 ARG 520 HH22 ARG 520 0.937 11.655 9.834 83 H VAL 521 HN VAL 521 1.545 2.661 6.843 84 HA VAL 521 HA VAL 521 0.989 1.413 4.272 85 HB VAL 521 HB VAL 521 0.534 0.431 7.100 86 HG11 VAL 521 HG11 VAL 521 0.091 -1.037 4.499 87 HG12 VAL 521 HG12 VAL 521 -1.177 -0.453 5.576 88 HG13 VAL 521 HG13 VAL 521 -0.072 -1.715 6.119 89 HG21 VAL 521 HG21 VAL 521 2.860 0.434 6.539 90 HG22 VAL 521 HG22 VAL 521 2.534 -0.326 4.981 91 HG23 VAL 521 HG23 VAL 521 2.277 -1.231 6.473 92 H VAL 522 HN VAL 522 -0.936 1.429 3.353 93 HA VAL 522 HA VAL 522 -3.164 2.692 4.794 94 HB VAL 522 HB VAL 522 -2.837 2.198 1.827 95 HG11 VAL 522 HG11 VAL 522 -4.726 3.709 1.586 96 HG12 VAL 522 HG12 VAL 522 -4.893 3.776 3.342 97 HG13 VAL 522 HG13 VAL 522 -5.154 2.255 2.484 98 HG21 VAL 522 HG21 VAL 522 -2.479 4.612 1.663 99 HG22 VAL 522 HG22 VAL 522 -1.230 3.835 2.637 100 HG23 VAL 522 HG23 VAL 522 -2.530 4.734 3.421 101 H HIS 523 HN HIS 523 -5.007 1.543 5.216 102 HA HIS 523 HA HIS 523 -4.945 -1.266 4.350 103 HB2 HIS 523 HB2 HIS 523 -5.778 -1.971 6.378 104 HB3 HIS 523 HB3 HIS 523 -4.818 -0.594 6.889 105 HD1 HIS 523 HD1 HIS 523 -6.064 1.358 7.984 106 HD2 HIS 523 HD2 HIS 523 -8.577 -1.591 6.487 107 HE1 HIS 523 HE1 HIS 523 -8.330 1.867 8.924 108 HE2 HIS 523 HE2 HIS 523 -9.752 -0.095 8.244 109 H ILE 524 HN ILE 524 -6.680 -2.157 3.414 110 HA ILE 524 HA ILE 524 -8.940 -0.360 2.859 111 HB ILE 524 HB ILE 524 -7.754 -2.513 1.108 112 HG12 ILE 524 HG12 ILE 524 -7.958 0.483 0.754 113 HG13 ILE 524 HG13 ILE 524 -6.497 -0.393 1.190 114 HG21 ILE 524 HG21 ILE 524 -9.433 -1.706 -0.569 115 HG22 ILE 524 HG22 ILE 524 -10.230 -0.842 0.747 116 HG23 ILE 524 HG23 ILE 524 -10.102 -2.604 0.794 117 HD11 ILE 524 HD11 ILE 524 -8.011 -0.721 -1.384 118 HD12 ILE 524 HD12 ILE 524 -6.488 -1.500 -0.950 119 HD13 ILE 524 HD13 ILE 524 -6.555 0.248 -1.166 120 H CYS 525 HN CYS 525 -10.907 -1.025 3.399 121 HA CYS 525 HA CYS 525 -11.205 -3.789 4.363 122 HB2 CYS 525 HB2 CYS 525 -12.826 -2.843 6.026 123 HB3 CYS 525 HB3 CYS 525 -11.166 -2.318 6.264 124 HG CYS 525 HG CYS 525 -13.856 -0.516 5.264 125 H ASN 526 HN ASN 526 -13.660 -4.293 4.602 126 HA ASN 526 HA ASN 526 -15.692 -4.655 3.655 127 HB2 ASN 526 HB2 ASN 526 -15.170 -1.997 2.303 128 HB3 ASN 526 HB3 ASN 526 -16.685 -2.880 2.189 129 HD21 ASN 526 HD21 ASN 526 -17.849 -1.239 3.126 130 HD22 ASN 526 HD22 ASN 526 -17.745 -0.864 4.813 131 H LEU 527 HN LEU 527 -13.244 -5.638 2.521 132 HA LEU 527 HA LEU 527 -13.467 -5.470 -0.351 133 HB2 LEU 527 HB2 LEU 527 -11.624 -6.954 1.517 134 HB3 LEU 527 HB1 LEU 527 -11.532 -7.115 -0.227 135 HG LEU 527 HG LEU 527 -11.258 -4.469 1.193 136 HD11 LEU 527 HD11 LEU 527 -8.870 -4.663 0.895 137 HD12 LEU 527 HD12 LEU 527 -9.059 -6.271 0.187 138 HD13 LEU 527 HD13 LEU 527 -9.456 -6.003 1.885 139 HD21 LEU 527 HD21 LEU 527 -11.913 -4.274 -1.107 140 HD22 LEU 527 HD22 LEU 527 -10.660 -5.413 -1.601 141 HD23 LEU 527 HD23 LEU 527 -10.212 -3.834 -0.957 142 HA PRO 528 HA PRO 528 -16.100 -9.116 -0.517 143 HB2 PRO 528 HB2 PRO 528 -16.218 -9.233 -3.240 144 HB3 PRO 528 HB3 PRO 528 -17.236 -8.164 -2.272 145 HG2 PRO 528 HG2 PRO 528 -14.737 -7.537 -3.788 146 HG3 PRO 528 HG3 PRO 528 -16.221 -6.583 -3.628 147 HD2 PRO 528 HD2 PRO 528 -13.961 -6.063 -2.215 148 HD3 PRO 528 HD3 PRO 528 -15.586 -5.713 -1.596 149 H GLU 529 HN GLU 529 -15.400 -11.144 -0.406 150 HA GLU 529 HA GLU 529 -12.691 -11.767 -0.987 151 HB2 GLU 529 HB2 GLU 529 -14.991 -13.485 -0.069 152 HB3 GLU 529 HB3 GLU 529 -13.342 -14.074 -0.246 153 HG2 GLU 529 HG2 GLU 529 -12.588 -12.382 1.373 154 HG3 GLU 529 HG3 GLU 529 -14.262 -11.869 1.583 155 H GLY 530 HN GLY 530 -11.805 -12.504 -2.762 156 HA2 GLY 530 HA2 GLY 530 -11.552 -13.853 -4.640 157 HA3 GLY 530 HA1 GLY 530 -13.244 -14.303 -4.520 158 H SER 531 HN SER 531 -13.745 -11.248 -4.334 159 HA SER 531 HA SER 531 -14.224 -11.001 -7.178 160 HB2 SER 531 HB2 SER 531 -14.995 -9.196 -4.880 161 HB3 SER 531 HB3 SER 531 -15.561 -9.036 -6.540 162 HG SER 531 HG SER 531 -16.866 -10.692 -6.281 163 H CYS 532 HN CYS 532 -12.246 -9.487 -4.706 164 HA CYS 532 HA CYS 532 -11.304 -7.432 -6.521 165 HB2 CYS 532 HB2 CYS 532 -10.310 -8.152 -3.756 166 HB3 CYS 532 HB3 CYS 532 -9.946 -6.679 -4.648 167 HG CYS 532 HG CYS 532 -12.597 -7.440 -2.779 168 H THR 533 HN THR 533 -9.190 -7.305 -7.350 169 HA THR 533 HA THR 533 -7.667 -9.813 -7.212 170 HB THR 533 HB THR 533 -6.551 -9.181 -9.239 171 HG1 THR 533 HG1 THR 533 -7.967 -6.857 -9.740 172 HG21 THR 533 HG21 THR 533 -9.490 -8.547 -9.510 173 HG22 THR 533 HG22 THR 533 -8.774 -10.159 -9.543 174 HG23 THR 533 HG23 THR 533 -8.407 -9.004 -10.825 175 H GLU 534 HN GLU 534 -5.236 -9.486 -7.199 176 HA GLU 534 HA GLU 534 -4.474 -7.823 -5.048 177 HB2 GLU 534 HB2 GLU 534 -2.654 -8.921 -7.198 178 HB3 GLU 534 HB3 GLU 534 -2.204 -8.444 -5.566 179 HG2 GLU 534 HG2 GLU 534 -3.521 -10.271 -4.653 180 HG3 GLU 534 HG3 GLU 534 -4.010 -10.741 -6.280 181 H ASN 535 HN ASN 535 -4.201 -7.527 -8.542 182 HA ASN 535 HA ASN 535 -2.702 -5.158 -8.612 183 HB2 ASN 535 HB2 ASN 535 -4.538 -6.449 -10.620 184 HB3 ASN 535 HB3 ASN 535 -3.686 -4.947 -10.963 185 HD21 ASN 535 HD21 ASN 535 -2.506 -5.869 -12.615 186 HD22 ASN 535 HD22 ASN 535 -1.213 -6.982 -12.322 187 H ASP 536 HN ASP 536 -6.238 -5.661 -8.678 188 HA ASP 536 HA ASP 536 -6.892 -2.967 -9.157 189 HB2 ASP 536 HB2 ASP 536 -8.441 -5.215 -7.911 190 HB3 ASP 536 HB3 ASP 536 -9.095 -3.583 -7.946 191 H VAL 537 HN VAL 537 -6.491 -4.710 -6.103 192 HA VAL 537 HA VAL 537 -7.254 -2.601 -4.404 193 HB VAL 537 HB VAL 537 -5.314 -4.853 -3.860 194 HG11 VAL 537 HG11 VAL 537 -5.139 -3.029 -2.224 195 HG12 VAL 537 HG12 VAL 537 -5.779 -4.511 -1.515 196 HG13 VAL 537 HG13 VAL 537 -6.867 -3.179 -1.901 197 HG21 VAL 537 HG21 VAL 537 -8.282 -4.664 -3.393 198 HG22 VAL 537 HG22 VAL 537 -7.245 -5.982 -2.847 199 HG23 VAL 537 HG23 VAL 537 -7.466 -5.692 -4.572 200 H ILE 538 HN ILE 538 -4.113 -3.551 -5.707 201 HA ILE 538 HA ILE 538 -2.576 -1.549 -4.423 202 HB ILE 538 HB ILE 538 -2.068 -3.038 -7.005 203 HG12 ILE 538 HG12 ILE 538 -0.967 -3.563 -4.239 204 HG13 ILE 538 HG13 ILE 538 -2.359 -4.406 -4.911 205 HG21 ILE 538 HG21 ILE 538 -0.720 -1.010 -6.884 206 HG22 ILE 538 HG22 ILE 538 0.287 -2.445 -6.683 207 HG23 ILE 538 HG23 ILE 538 -0.151 -1.472 -5.280 208 HD11 ILE 538 HD11 ILE 538 -0.354 -5.735 -5.114 209 HD12 ILE 538 HD12 ILE 538 0.437 -4.441 -6.017 210 HD13 ILE 538 HD13 ILE 538 -0.957 -5.277 -6.706 211 H ASN 539 HN ASN 539 -4.103 -1.752 -7.603 212 HA ASN 539 HA ASN 539 -3.160 0.678 -8.634 213 HB2 ASN 539 HB2 ASN 539 -5.494 -1.071 -9.331 214 HB3 ASN 539 HB3 ASN 539 -5.260 0.477 -10.136 215 HD21 ASN 539 HD21 ASN 539 -5.167 -2.218 -11.221 216 HD22 ASN 539 HD22 ASN 539 -3.599 -2.393 -11.933 217 H LEU 540 HN LEU 540 -5.800 0.010 -6.467 218 HA LEU 540 HA LEU 540 -7.233 2.409 -6.840 219 HB2 LEU 540 HB2 LEU 540 -6.948 0.741 -4.344 220 HB3 LEU 540 HB1 LEU 540 -8.132 2.009 -4.581 221 HG LEU 540 HG LEU 540 -7.987 -0.652 -5.972 222 HD11 LEU 540 HD11 LEU 540 -8.997 -0.616 -3.750 223 HD12 LEU 540 HD12 LEU 540 -10.190 -0.957 -5.004 224 HD13 LEU 540 HD13 LEU 540 -10.110 0.649 -4.278 225 HD21 LEU 540 HD21 LEU 540 -9.994 0.079 -7.216 226 HD22 LEU 540 HD22 LEU 540 -8.543 0.978 -7.658 227 HD23 LEU 540 HD23 LEU 540 -9.745 1.712 -6.600 228 H GLY 541 HN GLY 541 -4.464 1.614 -4.795 229 HA2 GLY 541 HA2 GLY 541 -4.543 4.156 -3.426 230 HA3 GLY 541 HA1 GLY 541 -3.305 2.922 -3.265 231 H LEU 542 HN LEU 542 -2.759 2.753 -6.073 232 HA LEU 542 HA LEU 542 -0.512 4.285 -6.181 233 HB2 LEU 542 HB2 LEU 542 -2.126 3.090 -8.395 234 HB3 LEU 542 HB1 LEU 542 -0.616 3.920 -8.702 235 HG LEU 542 HG LEU 542 -0.919 1.500 -6.922 236 HD11 LEU 542 HD11 LEU 542 -1.315 0.968 -9.277 237 HD12 LEU 542 HD12 LEU 542 0.200 0.282 -8.697 238 HD13 LEU 542 HD13 LEU 542 0.217 1.730 -9.703 239 HD21 LEU 542 HD21 LEU 542 1.524 1.460 -6.989 240 HD22 LEU 542 HD22 LEU 542 0.921 2.946 -6.260 241 HD23 LEU 542 HD23 LEU 542 1.522 2.960 -7.917 242 HA PRO 543 HA PRO 543 -2.844 7.453 -9.243 243 HB2 PRO 543 HB2 PRO 543 -5.168 7.742 -7.357 244 HB3 PRO 543 HB3 PRO 543 -5.102 8.009 -9.111 245 HG2 PRO 543 HG2 PRO 543 -6.140 5.781 -8.196 246 HG3 PRO 543 HG3 PRO 543 -5.011 5.709 -9.565 247 HD2 PRO 543 HD2 PRO 543 -4.544 5.046 -6.686 248 HD3 PRO 543 HD3 PRO 543 -3.940 4.232 -8.143 249 H PHE 544 HN PHE 544 -3.139 7.645 -5.666 250 HA PHE 544 HA PHE 544 -2.054 10.369 -5.909 251 HB2 PHE 544 HB2 PHE 544 -3.767 9.144 -3.769 252 HB3 PHE 544 HB1 PHE 544 -2.897 10.658 -3.526 253 HD1 PHE 544 HD1 PHE 544 -5.490 8.997 -5.569 254 HD2 PHE 544 HD2 PHE 544 -3.688 12.678 -4.428 255 HE1 PHE 544 HE1 PHE 544 -7.310 10.228 -6.676 256 HE2 PHE 544 HE2 PHE 544 -5.505 13.916 -5.528 257 HZ PHE 544 HZ PHE 544 -7.319 12.690 -6.656 258 H GLY 545 HN GLY 545 -1.323 7.237 -4.707 259 HA2 GLY 545 HA2 GLY 545 1.259 8.297 -3.815 260 HA3 GLY 545 HA1 GLY 545 0.335 7.305 -2.696 261 H LYS 546 HN LYS 546 2.999 6.842 -3.828 262 HA LYS 546 HA LYS 546 2.655 4.694 -5.739 263 HB2 LYS 546 HB2 LYS 546 4.543 6.173 -6.062 264 HB3 LYS 546 HB3 LYS 546 5.127 5.840 -4.436 265 HG2 LYS 546 HG2 LYS 546 6.441 4.603 -6.030 266 HG3 LYS 546 HG3 LYS 546 5.467 3.478 -5.071 267 HD2 LYS 546 HD2 LYS 546 3.800 3.443 -6.907 268 HD3 LYS 546 HD3 LYS 546 4.889 4.444 -7.868 269 HE2 LYS 546 HE2 LYS 546 6.573 2.718 -7.833 270 HE3 LYS 546 HE3 LYS 546 5.588 1.735 -6.748 271 HZ1 LYS 546 HZ1 LYS 546 5.404 0.983 -9.035 272 HZ2 LYS 546 HZ2 LYS 546 4.865 2.507 -9.524 273 HZ3 LYS 546 HZ3 LYS 546 3.916 1.567 -8.483 274 H VAL 547 HN VAL 547 2.508 2.643 -5.259 275 HA VAL 547 HA VAL 547 2.829 1.692 -2.556 276 HB VAL 547 HB VAL 547 1.958 0.277 -5.081 277 HG11 VAL 547 HG11 VAL 547 1.857 -0.639 -2.215 278 HG12 VAL 547 HG12 VAL 547 2.918 -1.271 -3.474 279 HG13 VAL 547 HG13 VAL 547 1.172 -1.497 -3.595 280 HG21 VAL 547 HG21 VAL 547 0.401 2.019 -4.410 281 HG22 VAL 547 HG22 VAL 547 0.351 1.365 -2.774 282 HG23 VAL 547 HG23 VAL 547 -0.294 0.425 -4.119 283 H THR 548 HN THR 548 4.483 0.455 -1.846 284 HA THR 548 HA THR 548 6.622 -0.187 -3.756 285 HB THR 548 HB THR 548 8.041 -0.515 -1.778 286 HG1 THR 548 HG1 THR 548 6.813 0.436 0.229 287 HG21 THR 548 HG21 THR 548 6.498 2.076 -1.795 288 HG22 THR 548 HG22 THR 548 7.974 1.716 -2.690 289 HG23 THR 548 HG23 THR 548 8.013 1.829 -0.929 290 H ASN 549 HN ASN 549 4.555 -1.600 -1.280 291 HA ASN 549 HA ASN 549 4.650 -4.164 -2.567 292 HB2 ASN 549 HB2 ASN 549 5.466 -5.438 -0.698 293 HB3 ASN 549 HB3 ASN 549 6.674 -4.225 -1.107 294 HD21 ASN 549 HD21 ASN 549 6.940 -2.443 0.305 295 HD22 ASN 549 HD22 ASN 549 6.410 -2.529 1.946 296 H TYR 550 HN TYR 550 3.226 -5.760 -1.264 297 HA TYR 550 HA TYR 550 1.140 -4.340 0.201 298 HB2 TYR 550 HB2 TYR 550 -0.635 -5.219 -1.189 299 HB3 TYR 550 HB3 TYR 550 0.497 -4.338 -2.209 300 HD1 TYR 550 HD1 TYR 550 -1.125 -7.477 -1.601 301 HD2 TYR 550 HD2 TYR 550 2.171 -5.668 -3.579 302 HE1 TYR 550 HE1 TYR 550 -0.906 -9.459 -3.033 303 HE2 TYR 550 HE2 TYR 550 2.403 -7.650 -5.016 304 HH TYR 550 HH TYR 550 0.018 -10.218 -5.004 305 H ILE 551 HN ILE 551 -0.122 -5.642 1.521 306 HA ILE 551 HA ILE 551 0.558 -8.499 1.631 307 HB ILE 551 HB ILE 551 0.409 -6.574 3.962 308 HG12 ILE 551 HG12 ILE 551 2.477 -8.583 3.033 309 HG13 ILE 551 HG13 ILE 551 2.610 -6.832 2.947 310 HG21 ILE 551 HG21 ILE 551 0.496 -8.505 5.464 311 HG22 ILE 551 HG22 ILE 551 0.331 -9.588 4.083 312 HG23 ILE 551 HG23 ILE 551 -0.988 -8.500 4.510 313 HD11 ILE 551 HD11 ILE 551 3.938 -7.733 4.764 314 HD12 ILE 551 HD12 ILE 551 2.502 -8.476 5.466 315 HD13 ILE 551 HD13 ILE 551 2.638 -6.720 5.387 316 H LEU 552 HN LEU 552 -1.195 -9.749 1.509 317 HA LEU 552 HA LEU 552 -3.808 -8.427 1.777 318 HB2 LEU 552 HB2 LEU 552 -2.823 -10.602 -0.042 319 HB3 LEU 552 HB1 LEU 552 -4.535 -10.371 0.251 320 HG LEU 552 HG LEU 552 -2.741 -8.200 -0.824 321 HD11 LEU 552 HD11 LEU 552 -3.650 -8.708 -3.013 322 HD12 LEU 552 HD12 LEU 552 -4.586 -10.043 -2.339 323 HD13 LEU 552 HD13 LEU 552 -2.824 -10.126 -2.366 324 HD21 LEU 552 HD21 LEU 552 -4.725 -7.365 0.225 325 HD22 LEU 552 HD22 LEU 552 -5.724 -8.532 -0.646 326 HD23 LEU 552 HD23 LEU 552 -4.901 -7.238 -1.526 327 H MET 553 HN MET 553 -4.729 -8.949 3.648 328 HA MET 553 HA MET 553 -4.639 -11.771 4.451 329 HB2 MET 553 HB2 MET 553 -5.217 -9.308 6.103 330 HB3 MET 553 HB3 MET 553 -5.350 -10.958 6.700 331 HG2 MET 553 HG2 MET 553 -2.969 -11.306 6.204 332 HG3 MET 553 HG3 MET 553 -2.851 -9.627 5.684 333 HE1 MET 553 HE1 MET 553 -0.993 -11.020 7.883 334 HE2 MET 553 HE2 MET 553 -0.890 -9.722 9.072 335 HE3 MET 553 HE3 MET 553 -0.808 -9.349 7.350 336 H LYS 554 HN LYS 554 -6.225 -12.450 3.052 337 HA LYS 554 HA LYS 554 -8.730 -11.153 2.732 338 HB2 LYS 554 HB2 LYS 554 -7.924 -14.000 2.119 339 HB3 LYS 554 HB3 LYS 554 -9.407 -13.234 1.577 340 HG2 LYS 554 HG2 LYS 554 -6.621 -12.364 0.824 341 HG3 LYS 554 HG3 LYS 554 -7.705 -13.327 -0.182 342 HD2 LYS 554 HD2 LYS 554 -9.338 -11.310 0.206 343 HD3 LYS 554 HD3 LYS 554 -7.842 -10.442 0.557 344 HE2 LYS 554 HE2 LYS 554 -8.645 -11.821 -1.991 345 HE3 LYS 554 HE3 LYS 554 -8.253 -10.122 -1.748 346 HZ1 LYS 554 HZ1 LYS 554 -6.435 -11.218 -2.827 347 HZ2 LYS 554 HZ2 LYS 554 -6.367 -12.412 -1.632 348 HZ3 LYS 554 HZ3 LYS 554 -5.953 -10.819 -1.256 349 H SER 555 HN SER 555 -7.483 -13.529 4.920 350 HA SER 555 HA SER 555 -9.836 -14.738 5.801 351 HB2 SER 555 HB2 SER 555 -8.507 -15.298 7.833 352 HB3 SER 555 HB3 SER 555 -7.653 -15.647 6.329 353 HG SER 555 HG SER 555 -6.621 -14.359 8.212 354 H THR 556 HN THR 556 -8.305 -11.724 6.781 355 HA THR 556 HA THR 556 -10.397 -11.302 8.786 356 HB THR 556 HB THR 556 -8.996 -9.404 9.553 357 HG1 THR 556 HG1 THR 556 -7.944 -9.131 7.432 358 HG21 THR 556 HG21 THR 556 -8.732 -11.609 10.580 359 HG22 THR 556 HG22 THR 556 -7.189 -10.760 10.510 360 HG23 THR 556 HG23 THR 556 -7.541 -12.045 9.354 361 H ASN 557 HN ASN 557 -10.336 -10.904 5.680 362 HA ASN 557 HA ASN 557 -11.283 -9.523 4.130 363 HB2 ASN 557 HB2 ASN 557 -13.156 -9.797 5.906 364 HB3 ASN 557 HB3 ASN 557 -12.745 -8.149 6.366 365 HD21 ASN 557 HD21 ASN 557 -14.159 -10.178 3.986 366 HD22 ASN 557 HD22 ASN 557 -14.828 -8.930 2.994 367 H GLN 558 HN GLN 558 -8.791 -8.685 4.929 368 HA GLN 558 HA GLN 558 -9.062 -5.774 4.813 369 HB2 GLN 558 HB2 GLN 558 -7.401 -7.289 6.834 370 HB3 GLN 558 HB3 GLN 558 -7.220 -5.571 6.510 371 HG2 GLN 558 HG2 GLN 558 -9.837 -6.774 7.362 372 HG3 GLN 558 HG3 GLN 558 -8.614 -6.230 8.520 373 HE21 GLN 558 HE21 GLN 558 -11.315 -5.259 8.039 374 HE22 GLN 558 HE22 GLN 558 -11.161 -3.575 7.675 375 H ALA 559 HN ALA 559 -7.365 -4.723 3.812 376 HA ALA 559 HA ALA 559 -5.182 -6.416 2.799 377 HB1 ALA 559 HB1 ALA 559 -6.846 -5.964 1.009 378 HB2 ALA 559 HB2 ALA 559 -5.254 -5.285 0.665 379 HB3 ALA 559 HB3 ALA 559 -6.558 -4.238 1.224 380 H PHE 560 HN PHE 560 -3.174 -5.465 2.792 381 HA PHE 560 HA PHE 560 -3.052 -2.744 3.900 382 HB2 PHE 560 HB2 PHE 560 -1.097 -5.003 4.381 383 HB3 PHE 560 HB1 PHE 560 -1.009 -3.384 5.066 384 HD1 PHE 560 HD1 PHE 560 -2.306 -6.690 5.454 385 HD2 PHE 560 HD2 PHE 560 -2.874 -2.632 6.610 386 HE1 PHE 560 HE1 PHE 560 -3.668 -7.428 7.366 387 HE2 PHE 560 HE2 PHE 560 -4.233 -3.364 8.526 388 HZ PHE 560 HZ PHE 560 -4.632 -5.764 8.905 389 H LEU 561 HN LEU 561 -1.973 -1.309 2.749 390 HA LEU 561 HA LEU 561 -0.373 -2.273 0.471 391 HB2 LEU 561 HB2 LEU 561 -2.761 -1.387 0.058 392 HB3 LEU 561 HB1 LEU 561 -2.105 0.187 0.447 393 HG LEU 561 HG LEU 561 -0.564 0.030 -1.448 394 HD11 LEU 561 HD11 LEU 561 -0.813 -1.802 -3.065 395 HD12 LEU 561 HD12 LEU 561 -1.920 -2.615 -1.958 396 HD13 LEU 561 HD13 LEU 561 -0.233 -2.372 -1.502 397 HD21 LEU 561 HD21 LEU 561 -3.408 -0.595 -2.236 398 HD22 LEU 561 HD22 LEU 561 -2.209 0.260 -3.205 399 HD23 LEU 561 HD23 LEU 561 -2.827 0.989 -1.725 400 H GLU 562 HN GLU 562 1.612 -1.350 0.291 401 HA GLU 562 HA GLU 562 2.358 0.544 2.406 402 HB2 GLU 562 HB2 GLU 562 3.573 -1.593 2.274 403 HB3 GLU 562 HB3 GLU 562 4.059 -1.202 0.628 404 HG2 GLU 562 HG2 GLU 562 5.898 -0.747 2.048 405 HG3 GLU 562 HG3 GLU 562 5.233 0.797 1.522 406 H MET 563 HN MET 563 3.347 2.479 1.998 407 HA MET 563 HA MET 563 3.404 3.276 -0.842 408 HB2 MET 563 HB2 MET 563 2.839 5.079 1.510 409 HB3 MET 563 HB3 MET 563 2.702 5.483 -0.199 410 HG2 MET 563 HG2 MET 563 0.977 3.619 1.403 411 HG3 MET 563 HG3 MET 563 0.509 5.117 0.597 412 HE1 MET 563 HE1 MET 563 -1.287 2.041 -1.230 413 HE2 MET 563 HE2 MET 563 -1.564 3.454 -0.211 414 HE3 MET 563 HE3 MET 563 -0.748 2.034 0.449 415 H ALA 564 HN ALA 564 5.139 4.256 -1.633 416 HA ALA 564 HA ALA 564 7.628 3.966 -0.320 417 HB1 ALA 564 HB1 ALA 564 7.363 3.843 -2.758 418 HB2 ALA 564 HB2 ALA 564 8.586 5.024 -2.289 419 HB3 ALA 564 HB3 ALA 564 6.986 5.565 -2.798 420 H TYR 565 HN TYR 565 5.367 6.551 -0.523 421 HA TYR 565 HA TYR 565 7.208 8.339 0.920 422 HB2 TYR 565 HB2 TYR 565 5.112 9.130 -1.126 423 HB3 TYR 565 HB3 TYR 565 6.096 10.247 -0.196 424 HD1 TYR 565 HD1 TYR 565 6.223 7.642 -2.831 425 HD2 TYR 565 HD2 TYR 565 8.259 10.856 -0.928 426 HE1 TYR 565 HE1 TYR 565 7.911 7.622 -4.620 427 HE2 TYR 565 HE2 TYR 565 9.955 10.842 -2.706 428 HH TYR 565 HH TYR 565 10.824 9.543 -4.416 429 H THR 566 HN THR 566 6.379 9.170 2.779 430 HA THR 566 HA THR 566 3.910 8.160 3.761 431 HB THR 566 HB THR 566 5.691 8.606 5.333 432 HG1 THR 566 HG1 THR 566 4.415 9.461 6.872 433 HG21 THR 566 HG21 THR 566 6.822 10.446 4.286 434 HG22 THR 566 HG22 THR 566 6.323 10.940 5.904 435 HG23 THR 566 HG23 THR 566 5.415 11.488 4.495 436 H GLU 567 HN GLU 567 4.895 11.159 2.239 437 HA GLU 567 HA GLU 567 2.479 12.573 2.684 438 HB2 GLU 567 HB2 GLU 567 3.168 14.036 0.862 439 HB3 GLU 567 HB3 GLU 567 4.520 13.717 1.936 440 HG2 GLU 567 HG2 GLU 567 5.536 12.263 0.381 441 HG3 GLU 567 HG3 GLU 567 4.085 12.197 -0.614 442 H ALA 568 HN ALA 568 3.539 10.302 0.267 443 HA ALA 568 HA ALA 568 1.362 10.507 -1.492 444 HB1 ALA 568 HB1 ALA 568 2.021 8.164 -2.125 445 HB2 ALA 568 HB2 ALA 568 3.218 8.223 -0.836 446 HB3 ALA 568 HB3 ALA 568 3.325 9.345 -2.192 447 H ALA 569 HN ALA 569 1.980 8.460 1.319 448 HA ALA 569 HA ALA 569 -0.421 7.003 1.230 449 HB1 ALA 569 HB1 ALA 569 0.133 6.250 3.426 450 HB2 ALA 569 HB2 ALA 569 1.208 7.624 3.683 451 HB3 ALA 569 HB3 ALA 569 1.630 6.383 2.504 452 H GLN 570 HN GLN 570 0.472 9.931 3.026 453 HA GLN 570 HA GLN 570 -1.971 10.178 4.419 454 HB2 GLN 570 HB2 GLN 570 0.162 12.189 3.694 455 HB3 GLN 570 HB3 GLN 570 -1.236 12.596 4.681 456 HG2 GLN 570 HG2 GLN 570 -0.562 11.070 6.386 457 HG3 GLN 570 HG3 GLN 570 0.721 10.420 5.367 458 HE21 GLN 570 HE21 GLN 570 2.602 11.563 5.109 459 HE22 GLN 570 HE22 GLN 570 3.021 12.920 6.095 460 H ALA 571 HN ALA 571 -0.811 11.656 1.390 461 HA ALA 571 HA ALA 571 -3.104 13.290 1.027 462 HB1 ALA 571 HB1 ALA 571 -1.096 12.373 -1.022 463 HB2 ALA 571 HB2 ALA 571 -0.945 13.801 0.002 464 HB3 ALA 571 HB3 ALA 571 -2.232 13.709 -1.201 465 H MET 572 HN MET 572 -2.214 10.076 -0.121 466 HA MET 572 HA MET 572 -4.311 9.796 -1.980 467 HB2 MET 572 HB2 MET 572 -3.594 7.622 -2.243 468 HB3 MET 572 HB3 MET 572 -2.154 8.358 -1.569 469 HG2 MET 572 HG2 MET 572 -3.278 7.545 0.697 470 HG3 MET 572 HG3 MET 572 -3.998 6.367 -0.395 471 HE1 MET 572 HE1 MET 572 -1.516 6.407 -2.550 472 HE2 MET 572 HE2 MET 572 -2.384 4.925 -2.144 473 HE3 MET 572 HE3 MET 572 -0.623 4.974 -2.031 474 H VAL 573 HN VAL 573 -4.043 8.889 1.436 475 HA VAL 573 HA VAL 573 -6.606 7.710 1.558 476 HB VAL 573 HB VAL 573 -4.742 8.672 3.712 477 HG11 VAL 573 HG11 VAL 573 -6.854 8.915 4.722 478 HG12 VAL 573 HG12 VAL 573 -6.306 7.311 5.214 479 HG13 VAL 573 HG13 VAL 573 -7.490 7.483 3.920 480 HG21 VAL 573 HG21 VAL 573 -4.040 6.707 2.467 481 HG22 VAL 573 HG22 VAL 573 -5.608 5.947 2.748 482 HG23 VAL 573 HG23 VAL 573 -4.517 6.247 4.102 483 H GLN 574 HN GLN 574 -5.427 10.973 2.214 484 HA GLN 574 HA GLN 574 -7.785 11.983 3.328 485 HB2 GLN 574 HB2 GLN 574 -5.677 13.345 1.650 486 HB3 GLN 574 HB3 GLN 574 -7.000 14.207 2.424 487 HG2 GLN 574 HG2 GLN 574 -4.880 12.595 3.825 488 HG3 GLN 574 HG3 GLN 574 -4.964 14.354 3.737 489 HE21 GLN 574 HE21 GLN 574 -6.525 15.438 4.919 490 HE22 GLN 574 HE22 GLN 574 -7.363 14.696 6.234 491 H TYR 575 HN TYR 575 -6.819 11.546 -0.039 492 HA TYR 575 HA TYR 575 -9.225 12.611 -1.103 493 HB2 TYR 575 HB2 TYR 575 -7.216 12.356 -2.500 494 HB3 TYR 575 HB3 TYR 575 -7.357 10.603 -2.366 495 HD1 TYR 575 HD1 TYR 575 -9.055 13.637 -3.658 496 HD2 TYR 575 HD2 TYR 575 -8.822 9.392 -3.769 497 HE1 TYR 575 HE1 TYR 575 -10.590 13.607 -5.578 498 HE2 TYR 575 HE2 TYR 575 -10.351 9.351 -5.691 499 HH TYR 575 HH TYR 575 -11.139 12.091 -7.480 500 H TYR 576 HN TYR 576 -8.213 9.266 -0.350 501 HA TYR 576 HA TYR 576 -10.618 8.198 -1.484 502 HB2 TYR 576 HB2 TYR 576 -8.614 6.797 0.283 503 HB3 TYR 576 HB3 TYR 576 -9.835 6.032 -0.729 504 HD1 TYR 576 HD1 TYR 576 -6.566 6.205 -0.565 505 HD2 TYR 576 HD2 TYR 576 -9.601 7.462 -3.262 506 HE1 TYR 576 HE1 TYR 576 -4.941 6.176 -2.394 507 HE2 TYR 576 HE2 TYR 576 -7.978 7.431 -5.110 508 HH TYR 576 HH TYR 576 -5.042 5.920 -4.949 509 H GLN 577 HN GLN 577 -9.770 9.305 1.676 510 HA GLN 577 HA GLN 577 -11.895 7.998 3.037 511 HB2 GLN 577 HB2 GLN 577 -10.185 10.390 3.649 512 HB3 GLN 577 HB3 GLN 577 -11.557 9.983 4.673 513 HG2 GLN 577 HG2 GLN 577 -9.533 7.900 4.031 514 HG3 GLN 577 HG3 GLN 577 -9.150 9.144 5.221 515 HE21 GLN 577 HE21 GLN 577 -9.098 7.722 6.931 516 HE22 GLN 577 HE22 GLN 577 -10.519 6.977 7.568 517 H GLU 578 HN GLU 578 -11.667 10.841 1.066 518 HA GLU 578 HA GLU 578 -14.390 11.652 1.772 519 HB2 GLU 578 HB2 GLU 578 -12.206 13.020 0.204 520 HB3 GLU 578 HB3 GLU 578 -13.839 13.663 0.343 521 HG2 GLU 578 HG2 GLU 578 -11.971 13.126 2.643 522 HG3 GLU 578 HG3 GLU 578 -12.273 14.703 1.916 523 H LYS 579 HN LYS 579 -12.418 10.708 -1.000 524 HA LYS 579 HA LYS 579 -14.892 9.887 -2.377 525 HB2 LYS 579 HB2 LYS 579 -12.445 11.193 -3.571 526 HB3 LYS 579 HB3 LYS 579 -13.631 10.331 -4.536 527 HG2 LYS 579 HG2 LYS 579 -14.146 12.780 -2.861 528 HG3 LYS 579 HG3 LYS 579 -14.006 12.725 -4.618 529 HD2 LYS 579 HD2 LYS 579 -16.134 11.400 -2.937 530 HD3 LYS 579 HD3 LYS 579 -16.339 12.812 -3.970 531 HE2 LYS 579 HE2 LYS 579 -15.628 10.028 -4.888 532 HE3 LYS 579 HE3 LYS 579 -17.203 10.797 -5.040 533 HZ1 LYS 579 HZ1 LYS 579 -16.176 12.479 -6.470 534 HZ2 LYS 579 HZ2 LYS 579 -16.006 10.927 -7.108 535 HZ3 LYS 579 HZ3 LYS 579 -14.692 11.678 -6.359 536 HA PRO 580 HA PRO 580 -12.157 6.284 -1.666 537 HB2 PRO 580 HB2 PRO 580 -14.693 4.854 -1.329 538 HB3 PRO 580 HB3 PRO 580 -13.359 5.064 -0.184 539 HG2 PRO 580 HG2 PRO 580 -15.729 6.288 0.189 540 HG3 PRO 580 HG3 PRO 580 -14.195 7.076 0.629 541 HD2 PRO 580 HD2 PRO 580 -15.852 7.437 -1.854 542 HD3 PRO 580 HD3 PRO 580 -15.149 8.672 -0.782 543 H ALA 581 HN ALA 581 -11.973 4.211 -2.795 544 HA ALA 581 HA ALA 581 -12.746 4.624 -5.582 545 HB1 ALA 581 HB1 ALA 581 -10.352 4.300 -4.942 546 HB2 ALA 581 HB2 ALA 581 -10.947 3.178 -6.165 547 HB3 ALA 581 HB3 ALA 581 -10.756 2.640 -4.495 548 H ILE 582 HN ILE 582 -13.470 2.836 -6.900 549 HA ILE 582 HA ILE 582 -15.212 1.076 -5.316 550 HB ILE 582 HB ILE 582 -15.664 2.285 -8.043 551 HG12 ILE 582 HG12 ILE 582 -17.041 2.676 -5.382 552 HG13 ILE 582 HG13 ILE 582 -15.993 3.830 -6.178 553 HG21 ILE 582 HG21 ILE 582 -17.437 0.399 -6.497 554 HG22 ILE 582 HG22 ILE 582 -16.559 0.018 -7.977 555 HG23 ILE 582 HG23 ILE 582 -17.857 1.211 -8.005 556 HD11 ILE 582 HD11 ILE 582 -18.358 4.395 -6.404 557 HD12 ILE 582 HD12 ILE 582 -18.632 2.868 -7.243 558 HD13 ILE 582 HD13 ILE 582 -17.595 4.098 -7.967 559 H ILE 583 HN ILE 583 -15.080 -1.036 -5.534 560 HA ILE 583 HA ILE 583 -13.770 -2.176 -7.929 561 HB ILE 583 HB ILE 583 -13.876 -3.284 -5.115 562 HG12 ILE 583 HG12 ILE 583 -12.195 -1.500 -5.516 563 HG13 ILE 583 HG13 ILE 583 -11.469 -3.055 -5.121 564 HG21 ILE 583 HG21 ILE 583 -12.552 -5.165 -5.965 565 HG22 ILE 583 HG22 ILE 583 -12.708 -4.530 -7.602 566 HG23 ILE 583 HG23 ILE 583 -14.139 -5.084 -6.732 567 HD11 ILE 583 HD11 ILE 583 -11.670 -1.772 -7.821 568 HD12 ILE 583 HD12 ILE 583 -11.121 -3.424 -7.546 569 HD13 ILE 583 HD13 ILE 583 -10.211 -2.070 -6.872 570 H ASN 584 HN ASN 584 -15.272 -3.009 -9.240 571 HA ASN 584 HA ASN 584 -17.113 -4.071 -10.036 572 HB2 ASN 584 HB2 ASN 584 -16.610 -5.762 -7.582 573 HB3 ASN 584 HB3 ASN 584 -17.748 -6.190 -8.855 574 HD21 ASN 584 HD21 ASN 584 -15.399 -7.614 -7.979 575 HD22 ASN 584 HD22 ASN 584 -14.352 -7.742 -9.346 576 H GLY 585 HN GLY 585 -17.729 -1.768 -8.604 577 HA2 GLY 585 HA2 GLY 585 -19.779 -0.770 -8.114 578 HA3 GLY 585 HA1 GLY 585 -20.488 -2.366 -7.930 579 H GLU 586 HN GLU 586 -17.682 -2.307 -6.172 580 HA GLU 586 HA GLU 586 -19.153 -1.755 -3.693 581 HB2 GLU 586 HB2 GLU 586 -16.527 -3.178 -4.207 582 HB3 GLU 586 HB3 GLU 586 -17.217 -2.904 -2.608 583 HG2 GLU 586 HG2 GLU 586 -18.492 -4.514 -4.807 584 HG3 GLU 586 HG3 GLU 586 -17.643 -5.168 -3.408 585 H LYS 587 HN LYS 587 -18.773 0.098 -2.633 586 HA LYS 587 HA LYS 587 -16.538 1.758 -3.452 587 HB2 LYS 587 HB2 LYS 587 -18.680 2.274 -1.380 588 HB3 LYS 587 HB3 LYS 587 -17.516 3.449 -1.973 589 HG2 LYS 587 HG2 LYS 587 -18.494 3.371 -4.180 590 HG3 LYS 587 HG3 LYS 587 -19.602 2.095 -3.670 591 HD2 LYS 587 HD2 LYS 587 -20.841 4.111 -3.603 592 HD3 LYS 587 HD3 LYS 587 -20.465 3.709 -1.930 593 HE2 LYS 587 HE2 LYS 587 -20.068 6.027 -2.156 594 HE3 LYS 587 HE3 LYS 587 -18.483 5.259 -2.130 595 HZ1 LYS 587 HZ1 LYS 587 -18.640 6.955 -3.848 596 HZ2 LYS 587 HZ2 LYS 587 -19.928 6.136 -4.572 597 HZ3 LYS 587 HZ3 LYS 587 -18.392 5.431 -4.531 598 H LEU 588 HN LEU 588 -14.638 1.254 -2.627 599 HA LEU 588 HA LEU 588 -14.466 0.048 0.024 600 HB2 LEU 588 HB2 LEU 588 -12.300 0.587 -2.001 601 HB3 LEU 588 HB1 LEU 588 -12.125 -0.338 -0.525 602 HG LEU 588 HG LEU 588 -13.758 -1.104 -2.938 603 HD11 LEU 588 HD11 LEU 588 -12.101 -2.935 -3.043 604 HD12 LEU 588 HD12 LEU 588 -11.217 -2.166 -1.722 605 HD13 LEU 588 HD13 LEU 588 -11.389 -1.338 -3.269 606 HD21 LEU 588 HD21 LEU 588 -13.358 -2.563 -0.322 607 HD22 LEU 588 HD22 LEU 588 -14.159 -3.214 -1.752 608 HD23 LEU 588 HD23 LEU 588 -14.866 -1.848 -0.892 609 H LEU 589 HN LEU 589 -13.982 1.221 1.756 610 HA LEU 589 HA LEU 589 -13.053 3.929 1.433 611 HB2 LEU 589 HB2 LEU 589 -14.699 3.242 3.198 612 HB3 LEU 589 HB1 LEU 589 -13.413 2.343 3.979 613 HG LEU 589 HG LEU 589 -12.167 4.436 4.338 614 HD11 LEU 589 HD11 LEU 589 -14.591 5.733 3.100 615 HD12 LEU 589 HD12 LEU 589 -12.950 5.725 2.450 616 HD13 LEU 589 HD13 LEU 589 -13.303 6.587 3.947 617 HD21 LEU 589 HD21 LEU 589 -13.670 5.400 6.019 618 HD22 LEU 589 HD22 LEU 589 -13.652 3.638 6.079 619 HD23 LEU 589 HD23 LEU 589 -15.011 4.480 5.334 620 H ILE 590 HN ILE 590 -11.015 4.189 0.901 621 HA ILE 590 HA ILE 590 -8.968 2.341 1.879 622 HB ILE 590 HB ILE 590 -8.655 4.698 0.009 623 HG12 ILE 590 HG12 ILE 590 -9.045 1.796 -0.713 624 HG13 ILE 590 HG13 ILE 590 -10.223 3.076 -0.932 625 HG21 ILE 590 HG21 ILE 590 -6.589 3.568 -0.684 626 HG22 ILE 590 HG22 ILE 590 -6.875 2.331 0.539 627 HG23 ILE 590 HG23 ILE 590 -6.579 3.999 1.025 628 HD11 ILE 590 HD11 ILE 590 -8.682 4.208 -2.482 629 HD12 ILE 590 HD12 ILE 590 -9.141 2.595 -3.025 630 HD13 ILE 590 HD13 ILE 590 -7.555 2.861 -2.304 631 H ARG 591 HN ARG 591 -7.939 2.835 3.729 632 HA ARG 591 HA ARG 591 -7.501 5.638 4.399 633 HB2 ARG 591 HB2 ARG 591 -8.430 5.168 6.740 634 HB3 ARG 591 HB3 ARG 591 -9.567 5.453 5.432 635 HG2 ARG 591 HG2 ARG 591 -9.874 3.016 5.214 636 HG3 ARG 591 HG3 ARG 591 -8.807 2.789 6.604 637 HD2 ARG 591 HD2 ARG 591 -10.316 4.014 8.024 638 HD3 ARG 591 HD3 ARG 591 -11.336 4.429 6.649 639 HE ARG 591 HE ARG 591 -11.230 1.665 6.746 640 HH11 ARG 591 HH11 ARG 591 -12.327 4.267 8.810 641 HH12 ARG 591 HH12 ARG 591 -13.605 3.337 9.526 642 HH21 ARG 591 HH21 ARG 591 -12.904 0.419 7.705 643 HH22 ARG 591 HH22 ARG 591 -13.933 1.147 8.897 644 H MET 592 HN MET 592 -6.283 5.918 6.457 645 HA MET 592 HA MET 592 -3.801 4.622 6.114 646 HB2 MET 592 HB2 MET 592 -4.730 6.257 8.489 647 HB3 MET 592 HB3 MET 592 -3.066 5.936 8.030 648 HG2 MET 592 HG2 MET 592 -4.598 7.230 5.910 649 HG3 MET 592 HG3 MET 592 -4.528 8.167 7.400 650 HE1 MET 592 HE1 MET 592 -2.437 6.481 4.535 651 HE2 MET 592 HE2 MET 592 -1.789 5.673 5.964 652 HE3 MET 592 HE3 MET 592 -0.783 6.804 5.057 653 H SER 593 HN SER 593 -2.825 2.955 7.229 654 HA SER 593 HA SER 593 -4.491 1.446 9.075 655 HB2 SER 593 HB2 SER 593 -3.127 0.284 7.322 656 HB3 SER 593 HB3 SER 593 -1.671 0.840 8.144 657 HG SER 593 HG SER 593 -3.692 -0.837 9.244 658 H THR 594 HN THR 594 -4.392 1.715 11.209 659 HA THR 594 HA THR 594 -2.093 3.088 12.363 660 HB THR 594 HB THR 594 -3.495 2.907 14.494 661 HG1 THR 594 HG1 THR 594 -5.866 2.751 13.386 662 HG21 THR 594 HG21 THR 594 -4.956 4.771 13.835 663 HG22 THR 594 HG22 THR 594 -4.608 4.437 12.140 664 HG23 THR 594 HG23 THR 594 -3.319 4.977 13.216 665 H ARG 595 HN ARG 595 -3.234 -0.021 11.780 666 HA ARG 595 HA ARG 595 -2.010 -1.288 14.061 667 HB2 ARG 595 HB2 ARG 595 -3.277 -2.399 11.557 668 HB3 ARG 595 HB3 ARG 595 -2.581 -3.409 12.819 669 HG2 ARG 595 HG2 ARG 595 -4.160 -2.440 14.436 670 HG3 ARG 595 HG3 ARG 595 -4.880 -1.489 13.136 671 HD2 ARG 595 HD2 ARG 595 -5.569 -3.493 11.990 672 HD3 ARG 595 HD3 ARG 595 -4.719 -4.499 13.161 673 HE ARG 595 HE ARG 595 -6.661 -2.822 14.405 674 HH11 ARG 595 HH11 ARG 595 -6.292 -5.789 12.585 675 HH12 ARG 595 HH12 ARG 595 -7.708 -6.529 13.260 676 HH21 ARG 595 HH21 ARG 595 -8.527 -3.797 15.295 677 HH22 ARG 595 HH22 ARG 595 -8.975 -5.400 14.807 678 H TYR 596 HN TYR 596 -1.244 -0.780 10.655 679 HA TYR 596 HA TYR 596 1.450 -1.830 11.218 680 HB2 TYR 596 HB2 TYR 596 -0.077 -1.714 8.616 681 HB3 TYR 596 HB3 TYR 596 1.649 -2.039 8.701 682 HD1 TYR 596 HD1 TYR 596 2.286 -4.223 8.607 683 HD2 TYR 596 HD2 TYR 596 -1.510 -3.306 10.292 684 HE1 TYR 596 HE1 TYR 596 1.859 -6.619 8.927 685 HE2 TYR 596 HE2 TYR 596 -1.946 -5.704 10.619 686 HH TYR 596 HH TYR 596 -1.245 -7.825 9.893 687 H LYS 597 HN LYS 597 3.100 -0.497 11.104 688 HA LYS 597 HA LYS 597 2.723 2.214 10.108 689 HB2 LYS 597 HB2 LYS 597 5.058 0.886 11.501 690 HB3 LYS 597 HB3 LYS 597 5.035 2.568 10.989 691 HG2 LYS 597 HG2 LYS 597 3.218 3.049 12.497 692 HG3 LYS 597 HG3 LYS 597 3.102 1.346 12.946 693 HD2 LYS 597 HD2 LYS 597 5.337 1.426 13.900 694 HD3 LYS 597 HD3 LYS 597 5.506 3.109 13.399 695 HE2 LYS 597 HE2 LYS 597 4.942 2.925 15.772 696 HE3 LYS 597 HE3 LYS 597 3.678 3.751 14.863 697 HZ1 LYS 597 HZ1 LYS 597 2.791 2.137 16.447 698 HZ2 LYS 597 HZ2 LYS 597 3.610 0.889 15.656 699 HZ3 LYS 597 HZ3 LYS 597 2.381 1.735 14.857 700 H GLU 598 HN GLU 598 4.565 -0.698 9.502 701 HA GLU 598 HA GLU 598 5.005 0.122 6.731 702 HB2 GLU 598 HB2 GLU 598 7.201 -0.995 8.494 703 HB3 GLU 598 HB3 GLU 598 7.332 -0.631 6.782 704 HG2 GLU 598 HG2 GLU 598 6.999 1.742 7.268 705 HG3 GLU 598 HG3 GLU 598 6.895 1.367 8.988 706 H LEU 599 HN LEU 599 5.101 -1.636 5.310 707 HA LEU 599 HA LEU 599 4.194 -4.173 6.417 708 HB2 LEU 599 HB2 LEU 599 4.664 -3.306 3.570 709 HB3 LEU 599 HB1 LEU 599 4.108 -4.899 4.038 710 HG LEU 599 HG LEU 599 2.618 -2.299 4.404 711 HD11 LEU 599 HD11 LEU 599 1.862 -4.727 2.808 712 HD12 LEU 599 HD12 LEU 599 2.757 -3.378 2.110 713 HD13 LEU 599 HD13 LEU 599 1.133 -3.122 2.760 714 HD21 LEU 599 HD21 LEU 599 0.845 -3.559 5.363 715 HD22 LEU 599 HD22 LEU 599 2.302 -3.947 6.275 716 HD23 LEU 599 HD23 LEU 599 1.683 -5.077 5.068 717 H GLN 600 HN GLN 600 5.678 -5.408 7.255 718 HA GLN 600 HA GLN 600 8.332 -5.570 6.061 719 HB2 GLN 600 HB2 GLN 600 7.245 -6.899 8.555 720 HB3 GLN 600 HB3 GLN 600 8.926 -6.875 8.044 721 HG2 GLN 600 HG2 GLN 600 9.031 -4.487 8.365 722 HG3 GLN 600 HG3 GLN 600 7.314 -4.437 8.761 723 HE21 GLN 600 HE21 GLN 600 6.621 -5.214 10.752 724 HE22 GLN 600 HE22 GLN 600 7.709 -5.483 12.060 725 H LEU 601 HN LEU 601 8.031 -6.721 4.199 726 HA LEU 601 HA LEU 601 6.350 -8.949 3.904 727 HB2 LEU 601 HB2 LEU 601 8.834 -8.204 2.362 728 HB3 LEU 601 HB1 LEU 601 7.698 -9.445 1.876 729 HG LEU 601 HG LEU 601 7.107 -6.493 2.096 730 HD11 LEU 601 HD11 LEU 601 6.947 -6.592 -0.331 731 HD12 LEU 601 HD12 LEU 601 7.380 -8.299 -0.302 732 HD13 LEU 601 HD13 LEU 601 8.549 -7.083 0.213 733 HD21 LEU 601 HD21 LEU 601 5.132 -7.798 2.645 734 HD22 LEU 601 HD22 LEU 601 5.362 -8.791 1.206 735 HD23 LEU 601 HD23 LEU 601 4.957 -7.083 1.043 736 H LYS 602 HN LYS 602 6.579 -10.574 5.353 737 HA LYS 602 HA LYS 602 9.144 -11.734 5.927 738 HB2 LYS 602 HB2 LYS 602 7.986 -13.312 7.283 739 HB3 LYS 602 HB3 LYS 602 7.192 -11.765 7.524 740 HG2 LYS 602 HG2 LYS 602 6.141 -13.780 5.569 741 HG3 LYS 602 HG3 LYS 602 5.739 -13.850 7.282 742 HD2 LYS 602 HD2 LYS 602 4.894 -11.503 7.101 743 HD3 LYS 602 HD3 LYS 602 5.149 -11.606 5.356 744 HE2 LYS 602 HE2 LYS 602 3.583 -13.426 5.185 745 HE3 LYS 602 HE3 LYS 602 3.411 -13.494 6.937 746 HZ1 LYS 602 HZ1 LYS 602 2.431 -11.292 6.892 747 HZ2 LYS 602 HZ2 LYS 602 1.558 -12.351 5.906 748 HZ3 LYS 602 HZ3 LYS 602 2.600 -11.219 5.211 749 H LYS 603 HN LYS 603 7.090 -11.803 3.351 750 HA LYS 603 HA LYS 603 7.423 -14.524 2.530 751 HB2 LYS 603 HB2 LYS 603 6.496 -12.066 1.033 752 HB3 LYS 603 HB3 LYS 603 6.477 -13.694 0.370 753 HG2 LYS 603 HG2 LYS 603 4.952 -12.798 2.809 754 HG3 LYS 603 HG3 LYS 603 4.277 -12.977 1.188 755 HD2 LYS 603 HD2 LYS 603 4.966 -15.373 1.245 756 HD3 LYS 603 HD3 LYS 603 5.444 -15.146 2.926 757 HE2 LYS 603 HE2 LYS 603 3.142 -14.500 3.480 758 HE3 LYS 603 HE3 LYS 603 2.673 -14.760 1.801 759 HZ1 LYS 603 HZ1 LYS 603 3.280 -17.085 2.027 760 HZ2 LYS 603 HZ2 LYS 603 2.125 -16.660 3.187 761 HZ3 LYS 603 HZ3 LYS 603 3.745 -16.834 3.634 762 HA PRO 604 HA PRO 604 11.521 -13.861 0.941 763 HB2 PRO 604 HB2 PRO 604 11.909 -16.313 -0.100 764 HB3 PRO 604 HB3 PRO 604 11.893 -16.025 1.644 765 HG2 PRO 604 HG2 PRO 604 9.716 -17.084 -0.120 766 HG3 PRO 604 HG3 PRO 604 10.237 -17.655 1.477 767 HD2 PRO 604 HD2 PRO 604 8.066 -16.056 1.104 768 HD3 PRO 604 HD3 PRO 604 9.045 -16.033 2.583 769 H GLY 605 HN GLY 605 8.741 -14.039 -0.867 770 HA2 GLY 605 HA2 GLY 605 9.738 -14.538 -3.474 771 HA3 GLY 605 HA1 GLY 605 8.236 -13.715 -3.085 772 H LYS 606 HN LYS 606 8.710 -11.454 -2.035 773 HA LYS 606 HA LYS 606 9.407 -9.315 -2.291 774 HB2 LYS 606 HB2 LYS 606 11.979 -10.553 -3.288 775 HB3 LYS 606 HB3 LYS 606 11.769 -8.882 -2.782 776 HG2 LYS 606 HG2 LYS 606 11.441 -11.298 -1.012 777 HG3 LYS 606 HG3 LYS 606 12.850 -10.239 -1.058 778 HD2 LYS 606 HD2 LYS 606 11.517 -8.370 -0.296 779 HD3 LYS 606 HD3 LYS 606 10.052 -9.351 -0.362 780 HE2 LYS 606 HE2 LYS 606 10.894 -9.130 1.928 781 HE3 LYS 606 HE3 LYS 606 10.918 -10.805 1.380 782 HZ1 LYS 606 HZ1 LYS 606 13.268 -8.990 1.412 783 HZ2 LYS 606 HZ2 LYS 606 13.274 -10.623 0.978 784 HZ3 LYS 606 HZ3 LYS 606 12.941 -10.177 2.572 785 H ASN 607 HN ASN 607 10.738 -7.891 -4.120 786 HA ASN 607 HA ASN 607 10.413 -6.837 -6.102 787 HB2 ASN 607 HB2 ASN 607 11.742 -8.735 -6.936 788 HB3 ASN 607 HB3 ASN 607 10.271 -9.669 -7.169 789 HD21 ASN 607 HD21 ASN 607 9.054 -9.344 -8.973 790 HD22 ASN 607 HD22 ASN 607 9.505 -8.280 -10.259 791 H VAL 608 HN VAL 608 8.326 -6.177 -5.127 792 HA VAL 608 HA VAL 608 5.941 -7.410 -6.163 793 HB VAL 608 HB VAL 608 6.343 -4.795 -4.697 794 HG11 VAL 608 HG11 VAL 608 3.907 -4.786 -4.391 795 HG12 VAL 608 HG12 VAL 608 3.777 -6.196 -5.440 796 HG13 VAL 608 HG13 VAL 608 4.353 -4.663 -6.092 797 HG21 VAL 608 HG21 VAL 608 6.838 -6.763 -3.354 798 HG22 VAL 608 HG22 VAL 608 5.280 -7.469 -3.786 799 HG23 VAL 608 HG23 VAL 608 5.343 -6.005 -2.806 800 H ALA 609 HN ALA 609 7.174 -4.086 -6.493 801 HA ALA 609 HA ALA 609 6.010 -3.922 -9.155 802 HB1 ALA 609 HB1 ALA 609 7.492 -1.842 -7.543 803 HB2 ALA 609 HB2 ALA 609 5.741 -2.017 -7.640 804 HB3 ALA 609 HB3 ALA 609 6.662 -1.564 -9.073 805 H ALA 610 HN ALA 610 9.181 -3.319 -7.660 806 HA ALA 610 HA ALA 610 10.605 -4.809 -9.618 807 HB1 ALA 610 HB1 ALA 610 11.857 -2.956 -10.626 808 HB2 ALA 610 HB2 ALA 610 10.853 -1.800 -9.753 809 HB3 ALA 610 HB3 ALA 610 10.137 -2.832 -10.989 810 H ILE 611 HN ILE 611 12.860 -4.954 -9.085 811 HA ILE 611 HA ILE 611 13.421 -4.291 -6.315 812 HB ILE 611 HB ILE 611 15.138 -5.778 -8.319 813 HG12 ILE 611 HG12 ILE 611 13.370 -6.792 -6.081 814 HG13 ILE 611 HG13 ILE 611 13.056 -6.966 -7.804 815 HG21 ILE 611 HG21 ILE 611 16.453 -4.740 -6.528 816 HG22 ILE 611 HG22 ILE 611 16.446 -6.497 -6.388 817 HG23 ILE 611 HG23 ILE 611 15.430 -5.525 -5.327 818 HD11 ILE 611 HD11 ILE 611 15.045 -8.364 -8.021 819 HD12 ILE 611 HD12 ILE 611 13.902 -9.027 -6.854 820 HD13 ILE 611 HD13 ILE 611 15.351 -8.193 -6.293 821 H ILE 612 HN ILE 612 13.372 -1.999 -6.703 822 HA ILE 612 HA ILE 612 15.445 -0.814 -8.331 823 HB ILE 612 HB ILE 612 13.530 0.491 -6.391 824 HG12 ILE 612 HG12 ILE 612 13.320 0.179 -9.396 825 HG13 ILE 612 HG13 ILE 612 12.372 -0.716 -8.215 826 HG21 ILE 612 HG21 ILE 612 14.054 2.551 -7.557 827 HG22 ILE 612 HG22 ILE 612 15.155 1.689 -8.630 828 HG23 ILE 612 HG23 ILE 612 15.526 1.826 -6.911 829 HD11 ILE 612 HD11 ILE 612 11.343 1.357 -7.462 830 HD12 ILE 612 HD12 ILE 612 11.101 1.111 -9.193 831 HD13 ILE 612 HD13 ILE 612 12.309 2.265 -8.625 832 H GLN 613 HN GLN 613 17.442 -0.289 -7.614 833 HA GLN 613 HA GLN 613 17.916 -0.559 -4.718 834 HB2 GLN 613 HB2 GLN 613 19.759 -1.172 -7.029 835 HB3 GLN 613 HB3 GLN 613 20.221 -1.255 -5.336 836 HG2 GLN 613 HG2 GLN 613 18.065 -2.906 -6.633 837 HG3 GLN 613 HG3 GLN 613 19.704 -3.453 -6.284 838 HE21 GLN 613 HE21 GLN 613 16.625 -2.574 -4.928 839 HE22 GLN 613 HE22 GLN 613 16.902 -3.245 -3.361 840 H ASP 614 HN ASP 614 18.200 1.581 -7.396 841 HA ASP 614 HA ASP 614 20.228 3.155 -5.959 842 HB2 ASP 614 HB2 ASP 614 19.547 3.018 -8.886 843 HB3 ASP 614 HB3 ASP 614 20.535 4.308 -8.211 844 H ILE 615 HN ILE 615 17.568 3.898 -8.227 845 HA ILE 615 HA ILE 615 17.415 6.547 -7.114 846 HB ILE 615 HB ILE 615 15.578 6.901 -8.793 847 HG12 ILE 615 HG12 ILE 615 15.671 5.150 -10.704 848 HG13 ILE 615 HG13 ILE 615 16.268 4.050 -9.473 849 HG21 ILE 615 HG21 ILE 615 17.846 7.574 -9.237 850 HG22 ILE 615 HG22 ILE 615 17.119 6.931 -10.709 851 HG23 ILE 615 HG23 ILE 615 18.255 5.949 -9.783 852 HD11 ILE 615 HD11 ILE 615 13.631 5.484 -9.459 853 HD12 ILE 615 HD12 ILE 615 14.229 4.442 -8.170 854 HD13 ILE 615 HD13 ILE 615 13.902 3.770 -9.769 855 H HIS 616 HN HIS 616 15.097 7.483 -6.763 856 HA HIS 616 HA HIS 616 14.111 6.059 -4.472 857 HB2 HIS 616 HB2 HIS 616 12.989 8.561 -5.753 858 HB3 HIS 616 HB3 HIS 616 12.591 7.945 -4.157 859 HD1 HIS 616 HD1 HIS 616 14.731 10.302 -5.807 860 HD2 HIS 616 HD2 HIS 616 15.002 7.948 -2.393 861 HE1 HIS 616 HE1 HIS 616 16.532 11.351 -4.407 862 HE2 HIS 616 HE2 HIS 616 16.587 9.993 -2.289 863 H SER 617 HN SER 617 12.389 7.331 -7.325 864 HA SER 617 HA SER 617 10.744 4.903 -7.317 865 HB2 SER 617 HB2 SER 617 8.760 6.430 -7.851 866 HB3 SER 617 HB3 SER 617 9.342 6.448 -6.187 867 HG SER 617 HG SER 617 9.824 8.482 -6.402 868 H GLN 618 HN GLN 618 10.871 7.947 -9.174 869 HA GLN 618 HA GLN 618 11.029 8.387 -11.398 870 HB2 GLN 618 HB2 GLN 618 12.757 5.919 -11.271 871 HB3 GLN 618 HB3 GLN 618 12.671 6.982 -12.663 872 HG2 GLN 618 HG2 GLN 618 13.578 7.796 -9.914 873 HG3 GLN 618 HG3 GLN 618 14.647 7.366 -11.243 874 HE21 GLN 618 HE21 GLN 618 12.979 8.678 -13.244 875 HE22 GLN 618 HE22 GLN 618 13.233 10.376 -13.035 876 H ARG 619 HN ARG 619 11.150 6.895 -13.674 877 HA ARG 619 HA ARG 619 8.618 5.518 -13.753 878 HB2 ARG 619 HB2 ARG 619 10.736 5.962 -15.865 879 HB3 ARG 619 HB3 ARG 619 9.218 5.125 -16.157 880 HG2 ARG 619 HG2 ARG 619 9.432 7.970 -15.200 881 HG3 ARG 619 HG3 ARG 619 9.229 7.496 -16.885 882 HD2 ARG 619 HD2 ARG 619 7.072 8.049 -16.079 883 HD3 ARG 619 HD3 ARG 619 7.133 6.293 -16.175 884 HE ARG 619 HE ARG 619 7.652 7.609 -13.601 885 HH11 ARG 619 HH11 ARG 619 5.648 5.564 -15.608 886 HH12 ARG 619 HH12 ARG 619 4.657 5.020 -14.295 887 HH21 ARG 619 HH21 ARG 619 6.346 6.889 -11.853 888 HH22 ARG 619 HH22 ARG 619 5.053 5.772 -12.160 889 H GLU 620 HN GLU 620 8.545 3.616 -12.850 890 HA GLU 620 HA GLU 620 10.742 1.968 -12.308 891 HB2 GLU 620 HB2 GLU 620 9.006 0.288 -11.690 892 HB3 GLU 620 HB3 GLU 620 8.754 1.868 -10.959 893 HG2 GLU 620 HG2 GLU 620 7.261 2.205 -13.127 894 HG3 GLU 620 HG3 GLU 620 7.163 0.449 -13.014 895 H ARG 621 HN ARG 621 11.622 0.249 -13.329 896 HA ARG 621 HA ARG 621 10.485 -0.500 -15.934 897 HB2 ARG 621 HB2 ARG 621 13.405 -0.055 -15.294 898 HB3 ARG 621 HB3 ARG 621 12.778 -0.647 -16.827 899 HG2 ARG 621 HG2 ARG 621 11.654 1.441 -17.231 900 HG3 ARG 621 HG3 ARG 621 12.116 2.037 -15.636 901 HD2 ARG 621 HD2 ARG 621 13.998 1.327 -17.879 902 HD3 ARG 621 HD3 ARG 621 13.560 2.958 -17.373 903 HE ARG 621 HE ARG 621 14.563 1.640 -15.142 904 HH11 ARG 621 HH11 ARG 621 15.694 2.653 -18.283 905 HH12 ARG 621 HH12 ARG 621 17.328 2.908 -17.760 906 HH21 ARG 621 HH21 ARG 621 16.721 1.949 -14.442 907 HH22 ARG 621 HH22 ARG 621 17.913 2.502 -15.573 Start of MODEL 23 1 H1 GLY 510 HT1 GLY 510 14.214 0.430 7.993 2 H2 GLY 510 HT2 GLY 510 13.568 0.937 6.516 3 H3 GLY 510 HT3 GLY 510 15.230 1.052 6.794 4 HA2 GLY 510 HA1 GLY 510 15.438 -1.330 6.877 5 HA3 GLY 510 HA2 GLY 510 13.701 -1.481 6.660 6 H ALA 511 HN ALA 511 15.154 -2.825 4.918 7 HA ALA 511 HA ALA 511 15.205 -1.161 2.485 8 HB1 ALA 511 HB1 ALA 511 16.841 -2.718 1.573 9 HB2 ALA 511 HB2 ALA 511 16.763 -3.684 3.046 10 HB3 ALA 511 HB3 ALA 511 17.408 -2.042 3.100 11 H MET 512 HN MET 512 12.923 -2.543 3.723 12 HA MET 512 HA MET 512 12.356 -4.802 2.012 13 HB2 MET 512 HB2 MET 512 10.291 -5.002 3.221 14 HB3 MET 512 HB3 MET 512 11.565 -4.673 4.384 15 HG2 MET 512 HG2 MET 512 9.612 -2.649 3.304 16 HG3 MET 512 HG3 MET 512 9.514 -3.436 4.877 17 HE1 MET 512 HE1 MET 512 9.330 -0.959 5.996 18 HE2 MET 512 HE2 MET 512 9.418 -0.302 4.363 19 HE3 MET 512 HE3 MET 512 10.474 0.330 5.626 20 H ALA 513 HN ALA 513 11.742 -1.398 2.065 21 HA ALA 513 HA ALA 513 9.777 -1.675 -0.110 22 HB1 ALA 513 HB1 ALA 513 8.922 0.469 0.477 23 HB2 ALA 513 HB2 ALA 513 10.265 0.775 1.575 24 HB3 ALA 513 HB3 ALA 513 9.062 -0.461 1.971 25 H GLN 514 HN GLN 514 9.894 0.912 -1.018 26 HA GLN 514 HA GLN 514 12.313 0.983 -2.554 27 HB2 GLN 514 HB2 GLN 514 9.984 2.895 -2.306 28 HB3 GLN 514 HB3 GLN 514 11.313 3.101 -3.446 29 HG2 GLN 514 HG2 GLN 514 9.433 0.748 -3.378 30 HG3 GLN 514 HG3 GLN 514 9.309 2.118 -4.479 31 HE21 GLN 514 HE21 GLN 514 12.235 2.274 -4.809 32 HE22 GLN 514 HE22 GLN 514 12.658 0.958 -5.845 33 H ARG 515 HN ARG 515 10.995 2.621 0.259 34 HA ARG 515 HA ARG 515 13.517 4.039 0.634 35 HB2 ARG 515 HB2 ARG 515 10.837 5.447 0.541 36 HB3 ARG 515 HB3 ARG 515 12.362 6.189 1.015 37 HG2 ARG 515 HG2 ARG 515 11.981 4.872 -1.639 38 HG3 ARG 515 HG3 ARG 515 11.554 6.566 -1.361 39 HD2 ARG 515 HD2 ARG 515 14.277 5.438 -0.737 40 HD3 ARG 515 HD3 ARG 515 13.873 6.138 -2.302 41 HE ARG 515 HE ARG 515 13.312 8.214 -0.996 42 HH11 ARG 515 HH11 ARG 515 15.671 5.902 0.199 43 HH12 ARG 515 HH12 ARG 515 16.565 7.090 1.086 44 HH21 ARG 515 HH21 ARG 515 14.511 9.771 0.170 45 HH22 ARG 515 HH22 ARG 515 15.911 9.282 1.068 46 H LYS 516 HN LYS 516 10.503 4.872 2.211 47 HA LYS 516 HA LYS 516 11.676 3.948 4.739 48 HB2 LYS 516 HB2 LYS 516 9.562 6.017 4.127 49 HB3 LYS 516 HB3 LYS 516 9.942 5.482 5.759 50 HG2 LYS 516 HG2 LYS 516 12.213 6.303 5.524 51 HG3 LYS 516 HG3 LYS 516 11.881 6.783 3.859 52 HD2 LYS 516 HD2 LYS 516 11.768 8.687 5.409 53 HD3 LYS 516 HD3 LYS 516 10.220 8.382 4.623 54 HE2 LYS 516 HE2 LYS 516 9.940 8.880 7.001 55 HE3 LYS 516 HE3 LYS 516 9.410 7.244 6.616 56 HZ1 LYS 516 HZ1 LYS 516 12.038 7.951 7.807 57 HZ2 LYS 516 HZ2 LYS 516 11.470 6.388 7.504 58 HZ3 LYS 516 HZ3 LYS 516 10.711 7.349 8.665 59 H GLY 517 HN GLY 517 9.501 2.917 2.501 60 HA2 GLY 517 HA2 GLY 517 7.662 1.519 2.549 61 HA3 GLY 517 HA1 GLY 517 7.972 1.272 4.269 62 H ALA 518 HN ALA 518 7.645 4.352 2.765 63 HA ALA 518 HA ALA 518 6.265 6.122 3.025 64 HB1 ALA 518 HB1 ALA 518 4.457 4.611 2.338 65 HB2 ALA 518 HB2 ALA 518 3.916 5.818 3.505 66 HB3 ALA 518 HB3 ALA 518 4.211 4.159 4.023 67 H GLY 519 HN GLY 519 6.399 3.876 5.682 68 HA2 GLY 519 HA2 GLY 519 6.881 4.426 7.935 69 HA3 GLY 519 HA1 GLY 519 6.462 6.103 7.595 70 H ARG 520 HN ARG 520 4.198 4.565 6.054 71 HA ARG 520 HA ARG 520 2.470 3.782 8.253 72 HB2 ARG 520 HB2 ARG 520 1.772 5.988 6.299 73 HB3 ARG 520 HB3 ARG 520 0.593 5.159 7.301 74 HG2 ARG 520 HG2 ARG 520 1.790 5.973 9.309 75 HG3 ARG 520 HG3 ARG 520 2.862 6.894 8.248 76 HD2 ARG 520 HD2 ARG 520 0.927 8.084 7.339 77 HD3 ARG 520 HD3 ARG 520 -0.136 7.175 8.409 78 HE ARG 520 HE ARG 520 1.934 8.629 9.778 79 HH11 ARG 520 HH11 ARG 520 -1.308 8.775 8.452 80 HH12 ARG 520 HH12 ARG 520 -1.788 10.117 9.439 81 HH21 ARG 520 HH21 ARG 520 1.293 10.389 11.091 82 HH22 ARG 520 HH22 ARG 520 -0.316 11.027 10.949 83 H VAL 521 HN VAL 521 1.067 2.216 7.652 84 HA VAL 521 HA VAL 521 1.024 1.454 4.822 85 HB VAL 521 HB VAL 521 0.387 -0.147 7.305 86 HG11 VAL 521 HG11 VAL 521 -1.191 -0.731 5.515 87 HG12 VAL 521 HG12 VAL 521 -0.053 -2.040 5.833 88 HG13 VAL 521 HG13 VAL 521 0.163 -1.007 4.420 89 HG21 VAL 521 HG21 VAL 521 2.243 -1.553 6.504 90 HG22 VAL 521 HG22 VAL 521 2.750 0.100 6.854 91 HG23 VAL 521 HG23 VAL 521 2.509 -0.414 5.184 92 H VAL 522 HN VAL 522 -0.867 1.354 3.699 93 HA VAL 522 HA VAL 522 -3.171 2.618 5.006 94 HB VAL 522 HB VAL 522 -2.688 2.093 2.066 95 HG11 VAL 522 HG11 VAL 522 -5.030 2.265 2.616 96 HG12 VAL 522 HG12 VAL 522 -4.497 3.680 1.709 97 HG13 VAL 522 HG13 VAL 522 -4.742 3.790 3.451 98 HG21 VAL 522 HG21 VAL 522 -1.042 3.662 2.939 99 HG22 VAL 522 HG22 VAL 522 -2.335 4.642 3.632 100 HG23 VAL 522 HG23 VAL 522 -2.194 4.477 1.881 101 H HIS 523 HN HIS 523 -4.986 1.464 5.424 102 HA HIS 523 HA HIS 523 -5.027 -1.279 4.380 103 HB2 HIS 523 HB2 HIS 523 -6.062 -2.053 6.307 104 HB3 HIS 523 HB3 HIS 523 -4.953 -0.850 6.933 105 HD1 HIS 523 HD1 HIS 523 -5.960 0.912 8.419 106 HD2 HIS 523 HD2 HIS 523 -8.817 -1.147 6.220 107 HE1 HIS 523 HE1 HIS 523 -8.169 1.629 9.358 108 HE2 HIS 523 HE2 HIS 523 -9.848 0.144 8.211 109 H ILE 524 HN ILE 524 -6.709 -2.022 3.277 110 HA ILE 524 HA ILE 524 -8.799 -0.061 2.612 111 HB ILE 524 HB ILE 524 -7.670 -2.328 0.967 112 HG12 ILE 524 HG12 ILE 524 -7.547 0.675 0.618 113 HG13 ILE 524 HG13 ILE 524 -6.224 -0.345 1.166 114 HG21 ILE 524 HG21 ILE 524 -10.001 -2.176 0.473 115 HG22 ILE 524 HG22 ILE 524 -9.116 -1.412 -0.849 116 HG23 ILE 524 HG23 ILE 524 -9.919 -0.416 0.366 117 HD11 ILE 524 HD11 ILE 524 -6.122 -1.428 -0.971 118 HD12 ILE 524 HD12 ILE 524 -6.041 0.320 -1.191 119 HD13 ILE 524 HD13 ILE 524 -7.542 -0.543 -1.527 120 H CYS 525 HN CYS 525 -10.862 -0.555 2.978 121 HA CYS 525 HA CYS 525 -11.475 -3.292 3.855 122 HB2 CYS 525 HB2 CYS 525 -13.171 -2.137 5.411 123 HB3 CYS 525 HB3 CYS 525 -11.474 -2.099 5.868 124 HG CYS 525 HG CYS 525 -11.739 0.568 4.178 125 H ASN 526 HN ASN 526 -14.008 -3.480 4.030 126 HA ASN 526 HA ASN 526 -15.954 -3.764 2.912 127 HB2 ASN 526 HB2 ASN 526 -15.145 -1.307 1.337 128 HB3 ASN 526 HB3 ASN 526 -16.723 -2.078 1.270 129 HD21 ASN 526 HD21 ASN 526 -16.129 0.623 1.977 130 HD22 ASN 526 HD22 ASN 526 -16.675 0.860 3.601 131 H LEU 527 HN LEU 527 -13.401 -4.923 2.078 132 HA LEU 527 HA LEU 527 -13.482 -5.067 -0.805 133 HB2 LEU 527 HB2 LEU 527 -11.772 -6.394 1.294 134 HB3 LEU 527 HB1 LEU 527 -11.617 -6.749 -0.416 135 HG LEU 527 HG LEU 527 -11.291 -3.973 0.719 136 HD11 LEU 527 HD11 LEU 527 -9.143 -5.972 0.021 137 HD12 LEU 527 HD12 LEU 527 -9.594 -5.490 1.656 138 HD13 LEU 527 HD13 LEU 527 -8.898 -4.304 0.547 139 HD21 LEU 527 HD21 LEU 527 -10.154 -3.584 -1.426 140 HD22 LEU 527 HD22 LEU 527 -11.842 -4.048 -1.638 141 HD23 LEU 527 HD23 LEU 527 -10.562 -5.225 -1.924 142 HA PRO 528 HA PRO 528 -16.193 -8.687 -0.779 143 HB2 PRO 528 HB2 PRO 528 -15.643 -8.608 -3.662 144 HB3 PRO 528 HB3 PRO 528 -17.187 -8.517 -2.817 145 HG2 PRO 528 HG2 PRO 528 -16.101 -6.388 -4.064 146 HG3 PRO 528 HG3 PRO 528 -17.078 -6.229 -2.595 147 HD2 PRO 528 HD2 PRO 528 -14.113 -6.126 -2.924 148 HD3 PRO 528 HD3 PRO 528 -15.167 -5.167 -1.864 149 H GLU 529 HN GLU 529 -15.540 -10.744 -0.537 150 HA GLU 529 HA GLU 529 -12.830 -11.486 -0.927 151 HB2 GLU 529 HB2 GLU 529 -15.265 -13.140 -0.272 152 HB3 GLU 529 HB3 GLU 529 -13.633 -13.785 -0.315 153 HG2 GLU 529 HG2 GLU 529 -12.995 -12.152 1.435 154 HG3 GLU 529 HG3 GLU 529 -14.686 -11.657 1.529 155 H GLY 530 HN GLY 530 -11.830 -12.394 -2.584 156 HA2 GLY 530 HA2 GLY 530 -11.467 -13.727 -4.427 157 HA3 GLY 530 HA1 GLY 530 -13.157 -14.194 -4.376 158 H SER 531 HN SER 531 -13.787 -11.177 -4.444 159 HA SER 531 HA SER 531 -13.921 -11.062 -7.331 160 HB2 SER 531 HB2 SER 531 -14.913 -9.053 -5.307 161 HB3 SER 531 HB3 SER 531 -15.386 -9.167 -6.998 162 HG SER 531 HG SER 531 -15.758 -11.535 -5.746 163 H CYS 532 HN CYS 532 -12.226 -9.485 -4.721 164 HA CYS 532 HA CYS 532 -11.038 -7.499 -6.459 165 HB2 CYS 532 HB2 CYS 532 -10.328 -8.191 -3.602 166 HB3 CYS 532 HB3 CYS 532 -9.906 -6.719 -4.471 167 HG CYS 532 HG CYS 532 -12.753 -7.546 -2.911 168 H THR 533 HN THR 533 -9.059 -7.631 -7.384 169 HA THR 533 HA THR 533 -7.501 -10.064 -6.847 170 HB THR 533 HB THR 533 -6.406 -9.691 -8.999 171 HG1 THR 533 HG1 THR 533 -8.166 -7.448 -9.292 172 HG21 THR 533 HG21 THR 533 -8.450 -11.000 -9.026 173 HG22 THR 533 HG22 THR 533 -8.347 -10.024 -10.492 174 HG23 THR 533 HG23 THR 533 -9.414 -9.533 -9.179 175 H GLU 534 HN GLU 534 -5.036 -9.682 -7.090 176 HA GLU 534 HA GLU 534 -4.222 -7.859 -5.107 177 HB2 GLU 534 HB2 GLU 534 -2.439 -8.941 -7.296 178 HB3 GLU 534 HB3 GLU 534 -1.967 -8.426 -5.683 179 HG2 GLU 534 HG2 GLU 534 -3.190 -10.321 -4.727 180 HG3 GLU 534 HG3 GLU 534 -3.634 -10.842 -6.352 181 H ASN 535 HN ASN 535 -4.326 -7.703 -8.593 182 HA ASN 535 HA ASN 535 -2.799 -5.386 -8.978 183 HB2 ASN 535 HB2 ASN 535 -3.253 -6.943 -10.782 184 HB3 ASN 535 HB3 ASN 535 -4.976 -6.604 -10.685 185 HD21 ASN 535 HD21 ASN 535 -5.790 -4.796 -11.657 186 HD22 ASN 535 HD22 ASN 535 -4.844 -3.743 -12.653 187 H ASP 536 HN ASP 536 -6.309 -5.788 -8.526 188 HA ASP 536 HA ASP 536 -6.993 -3.132 -9.213 189 HB2 ASP 536 HB2 ASP 536 -8.454 -5.051 -7.386 190 HB3 ASP 536 HB3 ASP 536 -9.115 -3.543 -8.008 191 H VAL 537 HN VAL 537 -6.372 -4.673 -6.108 192 HA VAL 537 HA VAL 537 -7.012 -2.476 -4.475 193 HB VAL 537 HB VAL 537 -5.117 -4.760 -3.917 194 HG11 VAL 537 HG11 VAL 537 -4.889 -2.874 -2.350 195 HG12 VAL 537 HG12 VAL 537 -5.507 -4.336 -1.583 196 HG13 VAL 537 HG13 VAL 537 -6.607 -3.017 -1.975 197 HG21 VAL 537 HG21 VAL 537 -8.068 -4.499 -3.389 198 HG22 VAL 537 HG22 VAL 537 -7.044 -5.828 -2.844 199 HG23 VAL 537 HG23 VAL 537 -7.307 -5.567 -4.569 200 H ILE 538 HN ILE 538 -3.947 -3.566 -5.867 201 HA ILE 538 HA ILE 538 -2.315 -1.605 -4.640 202 HB ILE 538 HB ILE 538 -1.894 -3.205 -7.167 203 HG12 ILE 538 HG12 ILE 538 -0.768 -3.580 -4.384 204 HG13 ILE 538 HG13 ILE 538 -2.137 -4.478 -5.032 205 HG21 ILE 538 HG21 ILE 538 0.089 -1.559 -5.603 206 HG22 ILE 538 HG22 ILE 538 -0.510 -1.208 -7.223 207 HG23 ILE 538 HG23 ILE 538 0.483 -2.639 -6.940 208 HD11 ILE 538 HD11 ILE 538 0.678 -4.525 -6.094 209 HD12 ILE 538 HD12 ILE 538 -0.691 -5.413 -6.764 210 HD13 ILE 538 HD13 ILE 538 -0.106 -5.786 -5.142 211 H ASN 539 HN ASN 539 -3.895 -1.752 -7.818 212 HA ASN 539 HA ASN 539 -2.870 0.686 -8.768 213 HB2 ASN 539 HB2 ASN 539 -5.166 -1.027 -9.597 214 HB3 ASN 539 HB3 ASN 539 -5.011 0.593 -10.269 215 HD21 ASN 539 HD21 ASN 539 -3.568 -2.571 -10.061 216 HD22 ASN 539 HD22 ASN 539 -2.481 -2.370 -11.394 217 H LEU 540 HN LEU 540 -5.580 0.027 -6.672 218 HA LEU 540 HA LEU 540 -6.830 2.547 -7.024 219 HB2 LEU 540 HB2 LEU 540 -6.941 0.576 -4.760 220 HB3 LEU 540 HB1 LEU 540 -7.869 2.061 -4.778 221 HG LEU 540 HG LEU 540 -8.135 -0.285 -6.647 222 HD11 LEU 540 HD11 LEU 540 -9.222 -0.545 -4.504 223 HD12 LEU 540 HD12 LEU 540 -10.426 -0.302 -5.770 224 HD13 LEU 540 HD13 LEU 540 -10.009 1.025 -4.685 225 HD21 LEU 540 HD21 LEU 540 -9.447 2.429 -6.809 226 HD22 LEU 540 HD22 LEU 540 -9.947 1.010 -7.727 227 HD23 LEU 540 HD23 LEU 540 -8.353 1.711 -7.992 228 H GLY 541 HN GLY 541 -4.190 1.470 -4.974 229 HA2 GLY 541 HA2 GLY 541 -4.262 3.848 -3.337 230 HA3 GLY 541 HA1 GLY 541 -3.020 2.606 -3.319 231 H LEU 542 HN LEU 542 -2.541 2.783 -6.166 232 HA LEU 542 HA LEU 542 -0.306 4.381 -6.134 233 HB2 LEU 542 HB2 LEU 542 -1.929 3.394 -8.459 234 HB3 LEU 542 HB1 LEU 542 -0.389 4.206 -8.653 235 HG LEU 542 HG LEU 542 -0.742 1.672 -7.057 236 HD11 LEU 542 HD11 LEU 542 0.328 1.960 -9.857 237 HD12 LEU 542 HD12 LEU 542 -1.290 1.386 -9.469 238 HD13 LEU 542 HD13 LEU 542 0.117 0.470 -8.936 239 HD21 LEU 542 HD21 LEU 542 1.191 3.065 -6.469 240 HD22 LEU 542 HD22 LEU 542 1.711 3.035 -8.153 241 HD23 LEU 542 HD23 LEU 542 1.669 1.544 -7.216 242 HA PRO 543 HA PRO 543 -2.835 7.469 -9.192 243 HB2 PRO 543 HB2 PRO 543 -4.993 7.762 -7.108 244 HB3 PRO 543 HB3 PRO 543 -5.069 8.090 -8.854 245 HG2 PRO 543 HG2 PRO 543 -5.998 5.820 -7.966 246 HG3 PRO 543 HG3 PRO 543 -4.937 5.805 -9.390 247 HD2 PRO 543 HD2 PRO 543 -4.336 5.043 -6.565 248 HD3 PRO 543 HD3 PRO 543 -3.747 4.325 -8.078 249 H PHE 544 HN PHE 544 -2.746 7.944 -5.619 250 HA PHE 544 HA PHE 544 -1.883 10.696 -6.231 251 HB2 PHE 544 HB2 PHE 544 -3.069 9.646 -3.666 252 HB3 PHE 544 HB1 PHE 544 -2.542 11.301 -3.941 253 HD1 PHE 544 HD1 PHE 544 -5.022 8.753 -4.879 254 HD2 PHE 544 HD2 PHE 544 -3.887 12.842 -5.150 255 HE1 PHE 544 HE1 PHE 544 -7.251 9.308 -5.757 256 HE2 PHE 544 HE2 PHE 544 -6.113 13.407 -6.026 257 HZ PHE 544 HZ PHE 544 -7.784 11.632 -6.372 258 H GLY 545 HN GLY 545 -0.828 7.739 -4.971 259 HA2 GLY 545 HA2 GLY 545 1.669 8.993 -4.022 260 HA3 GLY 545 HA1 GLY 545 0.911 7.663 -3.169 261 H LYS 546 HN LYS 546 2.540 6.269 -3.355 262 HA LYS 546 HA LYS 546 2.630 4.837 -5.874 263 HB2 LYS 546 HB2 LYS 546 4.585 6.305 -6.044 264 HB3 LYS 546 HB3 LYS 546 5.134 5.780 -4.460 265 HG2 LYS 546 HG2 LYS 546 6.416 4.666 -6.175 266 HG3 LYS 546 HG3 LYS 546 5.399 3.487 -5.339 267 HD2 LYS 546 HD2 LYS 546 3.831 3.461 -7.153 268 HD3 LYS 546 HD3 LYS 546 4.651 4.802 -7.951 269 HE2 LYS 546 HE2 LYS 546 5.240 2.742 -9.053 270 HE3 LYS 546 HE3 LYS 546 6.650 3.376 -8.212 271 HZ1 LYS 546 HZ1 LYS 546 6.189 1.801 -6.403 272 HZ2 LYS 546 HZ2 LYS 546 6.489 1.024 -7.871 273 HZ3 LYS 546 HZ3 LYS 546 4.907 1.156 -7.294 274 H VAL 547 HN VAL 547 2.796 2.654 -5.538 275 HA VAL 547 HA VAL 547 2.717 1.780 -2.768 276 HB VAL 547 HB VAL 547 2.167 0.284 -5.339 277 HG11 VAL 547 HG11 VAL 547 1.336 -1.516 -3.911 278 HG12 VAL 547 HG12 VAL 547 1.843 -0.616 -2.481 279 HG13 VAL 547 HG13 VAL 547 3.049 -1.206 -3.624 280 HG21 VAL 547 HG21 VAL 547 -0.162 0.330 -4.577 281 HG22 VAL 547 HG22 VAL 547 0.478 1.959 -4.802 282 HG23 VAL 547 HG23 VAL 547 0.317 1.291 -3.178 283 H THR 548 HN THR 548 4.290 0.664 -1.801 284 HA THR 548 HA THR 548 6.641 -0.079 -3.406 285 HB THR 548 HB THR 548 7.817 -0.145 -1.190 286 HG1 THR 548 HG1 THR 548 6.510 -0.136 0.490 287 HG21 THR 548 HG21 THR 548 7.909 1.833 -2.669 288 HG22 THR 548 HG22 THR 548 8.015 2.256 -0.960 289 HG23 THR 548 HG23 THR 548 6.502 2.492 -1.835 290 H ASN 549 HN ASN 549 4.388 -1.229 -0.954 291 HA ASN 549 HA ASN 549 4.993 -3.989 -1.652 292 HB2 ASN 549 HB2 ASN 549 5.437 -2.770 1.063 293 HB3 ASN 549 HB3 ASN 549 5.057 -4.481 0.894 294 HD21 ASN 549 HD21 ASN 549 7.500 -2.781 1.649 295 HD22 ASN 549 HD22 ASN 549 8.783 -3.537 0.758 296 H TYR 550 HN TYR 550 3.383 -5.494 -0.565 297 HA TYR 550 HA TYR 550 0.979 -4.202 0.425 298 HB2 TYR 550 HB2 TYR 550 -0.514 -5.073 -1.220 299 HB3 TYR 550 HB3 TYR 550 0.789 -4.295 -2.110 300 HD1 TYR 550 HD1 TYR 550 -1.135 -7.244 -1.784 301 HD2 TYR 550 HD2 TYR 550 2.731 -5.858 -2.872 302 HE1 TYR 550 HE1 TYR 550 -0.761 -9.313 -3.059 303 HE2 TYR 550 HE2 TYR 550 3.118 -7.918 -4.151 304 HH TYR 550 HH TYR 550 2.354 -10.126 -4.374 305 H ILE 551 HN ILE 551 -0.351 -5.598 1.603 306 HA ILE 551 HA ILE 551 0.364 -8.438 1.648 307 HB ILE 551 HB ILE 551 0.103 -6.699 4.110 308 HG12 ILE 551 HG12 ILE 551 2.274 -8.525 3.057 309 HG13 ILE 551 HG13 ILE 551 2.351 -6.776 3.240 310 HG21 ILE 551 HG21 ILE 551 0.090 -9.713 3.944 311 HG22 ILE 551 HG22 ILE 551 -1.251 -8.685 4.452 312 HG23 ILE 551 HG23 ILE 551 0.214 -8.770 5.430 313 HD11 ILE 551 HD11 ILE 551 2.219 -7.058 5.683 314 HD12 ILE 551 HD12 ILE 551 3.625 -7.852 4.976 315 HD13 ILE 551 HD13 ILE 551 2.222 -8.807 5.457 316 H LEU 552 HN LEU 552 -1.370 -9.639 1.384 317 HA LEU 552 HA LEU 552 -3.995 -8.356 1.672 318 HB2 LEU 552 HB2 LEU 552 -3.045 -10.677 -0.002 319 HB3 LEU 552 HB1 LEU 552 -4.732 -10.218 0.140 320 HG LEU 552 HG LEU 552 -2.608 -8.331 -0.879 321 HD11 LEU 552 HD11 LEU 552 -3.370 -8.872 -3.121 322 HD12 LEU 552 HD12 LEU 552 -4.506 -10.057 -2.474 323 HD13 LEU 552 HD13 LEU 552 -2.770 -10.330 -2.330 324 HD21 LEU 552 HD21 LEU 552 -4.516 -7.137 -1.788 325 HD22 LEU 552 HD22 LEU 552 -4.646 -7.301 -0.038 326 HD23 LEU 552 HD23 LEU 552 -5.610 -8.337 -1.096 327 H MET 553 HN MET 553 -4.917 -8.841 3.580 328 HA MET 553 HA MET 553 -4.689 -11.601 4.566 329 HB2 MET 553 HB2 MET 553 -5.747 -9.106 5.916 330 HB3 MET 553 HB3 MET 553 -5.702 -10.701 6.651 331 HG2 MET 553 HG2 MET 553 -3.281 -9.168 5.734 332 HG3 MET 553 HG3 MET 553 -3.879 -9.217 7.391 333 HE1 MET 553 HE1 MET 553 -0.675 -11.383 7.685 334 HE2 MET 553 HE2 MET 553 -1.590 -10.022 8.333 335 HE3 MET 553 HE3 MET 553 -0.900 -9.929 6.713 336 H LYS 554 HN LYS 554 -6.054 -12.434 2.977 337 HA LYS 554 HA LYS 554 -8.632 -11.363 2.441 338 HB2 LYS 554 HB2 LYS 554 -7.415 -14.034 1.734 339 HB3 LYS 554 HB3 LYS 554 -8.936 -13.419 1.095 340 HG2 LYS 554 HG2 LYS 554 -7.780 -11.541 0.081 341 HG3 LYS 554 HG3 LYS 554 -6.251 -12.098 0.758 342 HD2 LYS 554 HD2 LYS 554 -6.423 -14.154 -0.559 343 HD3 LYS 554 HD3 LYS 554 -7.952 -13.588 -1.236 344 HE2 LYS 554 HE2 LYS 554 -6.834 -11.699 -2.265 345 HE3 LYS 554 HE3 LYS 554 -5.308 -12.159 -1.515 346 HZ1 LYS 554 HZ1 LYS 554 -5.400 -12.875 -3.816 347 HZ2 LYS 554 HZ2 LYS 554 -6.808 -13.762 -3.518 348 HZ3 LYS 554 HZ3 LYS 554 -5.352 -14.216 -2.790 349 H SER 555 HN SER 555 -7.373 -13.756 4.614 350 HA SER 555 HA SER 555 -9.783 -15.047 5.280 351 HB2 SER 555 HB2 SER 555 -8.547 -15.742 7.330 352 HB3 SER 555 HB3 SER 555 -7.630 -16.011 5.848 353 HG SER 555 HG SER 555 -6.608 -14.899 7.790 354 H THR 556 HN THR 556 -8.450 -11.983 6.209 355 HA THR 556 HA THR 556 -10.526 -11.673 8.265 356 HB THR 556 HB THR 556 -9.238 -9.706 9.032 357 HG1 THR 556 HG1 THR 556 -8.060 -9.927 6.680 358 HG21 THR 556 HG21 THR 556 -7.601 -12.235 8.820 359 HG22 THR 556 HG22 THR 556 -8.834 -11.904 10.037 360 HG23 THR 556 HG23 THR 556 -7.358 -10.941 9.993 361 H ASN 557 HN ASN 557 -10.420 -11.285 5.143 362 HA ASN 557 HA ASN 557 -11.412 -9.964 3.568 363 HB2 ASN 557 HB2 ASN 557 -13.283 -10.336 5.350 364 HB3 ASN 557 HB3 ASN 557 -12.990 -8.653 5.762 365 HD21 ASN 557 HD21 ASN 557 -13.599 -7.080 4.363 366 HD22 ASN 557 HD22 ASN 557 -14.612 -7.357 2.985 367 H GLN 558 HN GLN 558 -8.977 -8.970 4.434 368 HA GLN 558 HA GLN 558 -9.388 -6.080 4.287 369 HB2 GLN 558 HB2 GLN 558 -7.867 -7.499 6.474 370 HB3 GLN 558 HB3 GLN 558 -7.658 -5.792 6.121 371 HG2 GLN 558 HG2 GLN 558 -10.259 -7.099 6.912 372 HG3 GLN 558 HG3 GLN 558 -9.189 -6.212 8.003 373 HE21 GLN 558 HE21 GLN 558 -8.536 -4.188 5.987 374 HE22 GLN 558 HE22 GLN 558 -9.931 -3.191 5.854 375 H ALA 559 HN ALA 559 -7.652 -4.934 3.428 376 HA ALA 559 HA ALA 559 -5.322 -6.523 2.598 377 HB1 ALA 559 HB1 ALA 559 -6.782 -6.222 0.663 378 HB2 ALA 559 HB2 ALA 559 -5.274 -5.330 0.464 379 HB3 ALA 559 HB3 ALA 559 -6.757 -4.476 0.905 380 H PHE 560 HN PHE 560 -3.366 -5.490 2.677 381 HA PHE 560 HA PHE 560 -3.377 -2.751 3.755 382 HB2 PHE 560 HB2 PHE 560 -1.450 -5.002 4.378 383 HB3 PHE 560 HB1 PHE 560 -1.306 -3.352 4.971 384 HD1 PHE 560 HD1 PHE 560 -2.959 -6.547 5.372 385 HD2 PHE 560 HD2 PHE 560 -2.948 -2.469 6.583 386 HE1 PHE 560 HE1 PHE 560 -4.378 -7.119 7.297 387 HE2 PHE 560 HE2 PHE 560 -4.365 -3.035 8.513 388 HZ PHE 560 HZ PHE 560 -5.083 -5.364 8.871 389 H LEU 561 HN LEU 561 -2.229 -1.289 2.675 390 HA LEU 561 HA LEU 561 -0.481 -2.234 0.499 391 HB2 LEU 561 HB2 LEU 561 -2.814 -1.357 -0.111 392 HB3 LEU 561 HB1 LEU 561 -2.219 0.218 0.368 393 HG LEU 561 HG LEU 561 -0.520 0.138 -1.383 394 HD11 LEU 561 HD11 LEU 561 -1.729 -2.546 -2.044 395 HD12 LEU 561 HD12 LEU 561 -0.098 -2.249 -1.440 396 HD13 LEU 561 HD13 LEU 561 -0.560 -1.681 -3.043 397 HD21 LEU 561 HD21 LEU 561 -2.788 1.014 -1.854 398 HD22 LEU 561 HD22 LEU 561 -3.242 -0.578 -2.462 399 HD23 LEU 561 HD23 LEU 561 -1.989 0.354 -3.279 400 H GLU 562 HN GLU 562 1.512 -1.392 0.520 401 HA GLU 562 HA GLU 562 2.086 0.731 2.465 402 HB2 GLU 562 HB2 GLU 562 3.298 -1.422 2.697 403 HB3 GLU 562 HB3 GLU 562 3.982 -1.183 1.095 404 HG2 GLU 562 HG2 GLU 562 5.041 0.902 1.913 405 HG3 GLU 562 HG3 GLU 562 4.442 0.521 3.529 406 H MET 563 HN MET 563 3.147 2.584 1.884 407 HA MET 563 HA MET 563 3.174 3.094 -1.007 408 HB2 MET 563 HB2 MET 563 2.741 5.087 1.225 409 HB3 MET 563 HB3 MET 563 2.642 5.415 -0.501 410 HG2 MET 563 HG2 MET 563 0.823 3.636 1.106 411 HG3 MET 563 HG3 MET 563 0.432 5.210 0.422 412 HE1 MET 563 HE1 MET 563 -1.767 4.116 -0.625 413 HE2 MET 563 HE2 MET 563 -1.322 2.532 0.013 414 HE3 MET 563 HE3 MET 563 -1.744 2.711 -1.690 415 H ALA 564 HN ALA 564 4.729 4.837 -1.718 416 HA ALA 564 HA ALA 564 7.346 4.101 -0.967 417 HB1 ALA 564 HB1 ALA 564 6.466 6.535 -2.508 418 HB2 ALA 564 HB2 ALA 564 6.782 4.940 -3.192 419 HB3 ALA 564 HB3 ALA 564 8.096 5.864 -2.464 420 H TYR 565 HN TYR 565 5.463 7.003 -0.248 421 HA TYR 565 HA TYR 565 7.290 7.590 1.970 422 HB2 TYR 565 HB2 TYR 565 6.253 9.579 -0.064 423 HB3 TYR 565 HB3 TYR 565 7.022 10.033 1.450 424 HD1 TYR 565 HD1 TYR 565 7.544 8.769 -1.924 425 HD2 TYR 565 HD2 TYR 565 9.423 9.641 1.791 426 HE1 TYR 565 HE1 TYR 565 9.741 8.678 -3.021 427 HE2 TYR 565 HE2 TYR 565 11.623 9.559 0.706 428 HH TYR 565 HH TYR 565 12.039 9.640 -2.608 429 H THR 566 HN THR 566 6.252 8.994 3.629 430 HA THR 566 HA THR 566 3.647 8.088 4.188 431 HB THR 566 HB THR 566 5.230 8.826 5.959 432 HG1 THR 566 HG1 THR 566 3.289 10.418 6.766 433 HG21 THR 566 HG21 THR 566 5.436 11.187 6.497 434 HG22 THR 566 HG22 THR 566 4.458 11.610 5.093 435 HG23 THR 566 HG23 THR 566 6.047 10.878 4.872 436 H GLU 567 HN GLU 567 4.844 11.061 2.714 437 HA GLU 567 HA GLU 567 2.364 12.404 2.567 438 HB2 GLU 567 HB2 GLU 567 3.428 13.771 0.803 439 HB3 GLU 567 HB3 GLU 567 4.426 13.628 2.245 440 HG2 GLU 567 HG2 GLU 567 5.735 11.865 1.120 441 HG3 GLU 567 HG3 GLU 567 4.775 12.123 -0.336 442 H ALA 568 HN ALA 568 3.890 10.013 0.529 443 HA ALA 568 HA ALA 568 2.051 10.072 -1.597 444 HB1 ALA 568 HB1 ALA 568 4.152 8.792 -1.692 445 HB2 ALA 568 HB2 ALA 568 2.763 7.761 -2.030 446 HB3 ALA 568 HB3 ALA 568 3.542 7.700 -0.447 447 H ALA 569 HN ALA 569 2.148 8.323 1.457 448 HA ALA 569 HA ALA 569 -0.258 6.890 1.091 449 HB1 ALA 569 HB1 ALA 569 1.611 6.269 2.626 450 HB2 ALA 569 HB2 ALA 569 0.005 6.180 3.343 451 HB3 ALA 569 HB3 ALA 569 1.061 7.544 3.714 452 H GLN 570 HN GLN 570 0.462 9.960 2.725 453 HA GLN 570 HA GLN 570 -2.082 10.352 3.859 454 HB2 GLN 570 HB2 GLN 570 -0.323 12.561 2.774 455 HB3 GLN 570 HB3 GLN 570 -1.551 12.701 4.016 456 HG2 GLN 570 HG2 GLN 570 1.150 11.416 4.213 457 HG3 GLN 570 HG3 GLN 570 0.539 12.820 5.080 458 HE21 GLN 570 HE21 GLN 570 0.694 9.410 4.922 459 HE22 GLN 570 HE22 GLN 570 -0.090 9.086 6.423 460 H ALA 571 HN ALA 571 -0.754 11.162 0.691 461 HA ALA 571 HA ALA 571 -2.707 13.034 -0.021 462 HB1 ALA 571 HB1 ALA 571 -0.981 11.419 -1.883 463 HB2 ALA 571 HB2 ALA 571 -0.459 12.871 -1.026 464 HB3 ALA 571 HB3 ALA 571 -1.752 12.968 -2.223 465 H MET 572 HN MET 572 -2.460 9.565 -0.928 466 HA MET 572 HA MET 572 -4.795 9.767 -2.559 467 HB2 MET 572 HB2 MET 572 -4.601 7.501 -3.042 468 HB3 MET 572 HB3 MET 572 -2.944 8.000 -2.787 469 HG2 MET 572 HG2 MET 572 -4.458 6.844 -0.506 470 HG3 MET 572 HG3 MET 572 -3.866 5.776 -1.776 471 HE1 MET 572 HE1 MET 572 -1.376 5.554 -2.468 472 HE2 MET 572 HE2 MET 572 -0.026 6.322 -1.635 473 HE3 MET 572 HE3 MET 572 -1.121 7.292 -2.618 474 H VAL 573 HN VAL 573 -4.169 8.741 0.728 475 HA VAL 573 HA VAL 573 -6.720 7.609 1.146 476 HB VAL 573 HB VAL 573 -4.697 8.566 3.165 477 HG11 VAL 573 HG11 VAL 573 -7.228 6.965 3.423 478 HG12 VAL 573 HG12 VAL 573 -6.798 8.454 4.267 479 HG13 VAL 573 HG13 VAL 573 -5.959 6.950 4.646 480 HG21 VAL 573 HG21 VAL 573 -3.865 6.816 1.690 481 HG22 VAL 573 HG22 VAL 573 -5.312 5.849 2.002 482 HG23 VAL 573 HG23 VAL 573 -4.163 6.162 3.304 483 H GLN 574 HN GLN 574 -5.433 10.858 1.736 484 HA GLN 574 HA GLN 574 -7.653 11.863 3.129 485 HB2 GLN 574 HB2 GLN 574 -5.782 13.278 1.224 486 HB3 GLN 574 HB3 GLN 574 -6.969 14.098 2.227 487 HG2 GLN 574 HG2 GLN 574 -4.672 12.436 3.236 488 HG3 GLN 574 HG3 GLN 574 -4.723 14.196 3.177 489 HE21 GLN 574 HE21 GLN 574 -4.455 14.410 5.375 490 HE22 GLN 574 HE22 GLN 574 -5.703 14.017 6.506 491 H TYR 575 HN TYR 575 -7.060 11.493 -0.324 492 HA TYR 575 HA TYR 575 -9.566 12.563 -1.106 493 HB2 TYR 575 HB2 TYR 575 -7.736 12.306 -2.724 494 HB3 TYR 575 HB3 TYR 575 -7.834 10.555 -2.556 495 HD1 TYR 575 HD1 TYR 575 -9.896 13.508 -3.512 496 HD2 TYR 575 HD2 TYR 575 -9.224 9.335 -3.981 497 HE1 TYR 575 HE1 TYR 575 -11.609 13.437 -5.275 498 HE2 TYR 575 HE2 TYR 575 -10.932 9.252 -5.746 499 HH TYR 575 HH TYR 575 -12.325 12.122 -7.097 500 H TYR 576 HN TYR 576 -8.467 9.249 -0.396 501 HA TYR 576 HA TYR 576 -10.961 8.133 -1.248 502 HB2 TYR 576 HB2 TYR 576 -8.648 6.859 0.195 503 HB3 TYR 576 HB3 TYR 576 -10.050 5.987 -0.420 504 HD1 TYR 576 HD1 TYR 576 -6.877 6.113 -1.091 505 HD2 TYR 576 HD2 TYR 576 -10.472 7.299 -3.020 506 HE1 TYR 576 HE1 TYR 576 -5.765 5.908 -3.259 507 HE2 TYR 576 HE2 TYR 576 -9.374 7.105 -5.209 508 HH TYR 576 HH TYR 576 -6.389 5.560 -5.627 509 H GLN 577 HN GLN 577 -9.896 9.338 1.821 510 HA GLN 577 HA GLN 577 -11.906 7.851 3.241 511 HB2 GLN 577 HB2 GLN 577 -10.162 10.183 4.017 512 HB3 GLN 577 HB3 GLN 577 -11.461 9.612 5.064 513 HG2 GLN 577 HG2 GLN 577 -10.370 7.325 4.887 514 HG3 GLN 577 HG3 GLN 577 -8.988 8.166 4.185 515 HE21 GLN 577 HE21 GLN 577 -10.921 7.709 7.031 516 HE22 GLN 577 HE22 GLN 577 -9.805 8.401 8.153 517 H GLU 578 HN GLU 578 -11.755 10.792 1.469 518 HA GLU 578 HA GLU 578 -14.374 11.637 2.438 519 HB2 GLU 578 HB2 GLU 578 -12.256 12.987 0.769 520 HB3 GLU 578 HB3 GLU 578 -13.848 13.697 1.043 521 HG2 GLU 578 HG2 GLU 578 -11.841 12.982 3.175 522 HG3 GLU 578 HG3 GLU 578 -12.154 14.602 2.553 523 H LYS 579 HN LYS 579 -12.697 10.739 -0.511 524 HA LYS 579 HA LYS 579 -15.274 10.032 -1.739 525 HB2 LYS 579 HB2 LYS 579 -12.975 11.520 -3.017 526 HB3 LYS 579 HB3 LYS 579 -14.204 10.693 -3.960 527 HG2 LYS 579 HG2 LYS 579 -14.751 12.904 -1.989 528 HG3 LYS 579 HG3 LYS 579 -14.600 13.118 -3.733 529 HD2 LYS 579 HD2 LYS 579 -16.645 11.368 -2.365 530 HD3 LYS 579 HD3 LYS 579 -16.950 12.987 -2.993 531 HE2 LYS 579 HE2 LYS 579 -16.412 12.234 -5.244 532 HE3 LYS 579 HE3 LYS 579 -16.035 10.625 -4.633 533 HZ1 LYS 579 HZ1 LYS 579 -18.320 10.364 -3.952 534 HZ2 LYS 579 HZ2 LYS 579 -18.255 10.749 -5.597 535 HZ3 LYS 579 HZ3 LYS 579 -18.694 11.930 -4.472 536 HA PRO 580 HA PRO 580 -12.318 6.548 -1.291 537 HB2 PRO 580 HB2 PRO 580 -14.808 4.991 -1.044 538 HB3 PRO 580 HB3 PRO 580 -13.434 5.118 0.067 539 HG2 PRO 580 HG2 PRO 580 -15.779 6.262 0.661 540 HG3 PRO 580 HG3 PRO 580 -14.243 7.067 1.058 541 HD2 PRO 580 HD2 PRO 580 -16.073 7.546 -1.275 542 HD3 PRO 580 HD3 PRO 580 -15.315 8.724 -0.178 543 H ALA 581 HN ALA 581 -11.992 4.529 -2.451 544 HA ALA 581 HA ALA 581 -12.654 4.953 -5.261 545 HB1 ALA 581 HB1 ALA 581 -10.285 4.689 -4.557 546 HB2 ALA 581 HB2 ALA 581 -10.794 3.498 -5.752 547 HB3 ALA 581 HB3 ALA 581 -10.654 3.036 -4.056 548 H ILE 582 HN ILE 582 -13.230 3.132 -6.627 549 HA ILE 582 HA ILE 582 -15.077 1.383 -5.145 550 HB ILE 582 HB ILE 582 -15.406 2.731 -7.822 551 HG12 ILE 582 HG12 ILE 582 -16.923 2.971 -5.222 552 HG13 ILE 582 HG13 ILE 582 -15.787 4.146 -5.851 553 HG21 ILE 582 HG21 ILE 582 -17.621 1.696 -7.928 554 HG22 ILE 582 HG22 ILE 582 -17.253 0.770 -6.473 555 HG23 ILE 582 HG23 ILE 582 -16.334 0.490 -7.952 556 HD11 ILE 582 HD11 ILE 582 -17.258 4.583 -7.732 557 HD12 ILE 582 HD12 ILE 582 -18.099 4.825 -6.200 558 HD13 ILE 582 HD13 ILE 582 -18.387 3.363 -7.143 559 H ILE 583 HN ILE 583 -14.999 -0.740 -5.450 560 HA ILE 583 HA ILE 583 -13.879 -1.763 -7.974 561 HB ILE 583 HB ILE 583 -13.730 -3.047 -5.240 562 HG12 ILE 583 HG12 ILE 583 -11.645 -2.131 -7.225 563 HG13 ILE 583 HG13 ILE 583 -11.910 -1.540 -5.589 564 HG21 ILE 583 HG21 ILE 583 -14.409 -4.740 -6.841 565 HG22 ILE 583 HG22 ILE 583 -12.743 -5.007 -6.331 566 HG23 ILE 583 HG23 ILE 583 -13.077 -4.293 -7.909 567 HD11 ILE 583 HD11 ILE 583 -10.832 -4.236 -6.388 568 HD12 ILE 583 HD12 ILE 583 -11.215 -3.766 -4.734 569 HD13 ILE 583 HD13 ILE 583 -9.945 -2.918 -5.618 570 H ASN 584 HN ASN 584 -15.284 -2.810 -9.199 571 HA ASN 584 HA ASN 584 -17.135 -3.889 -9.934 572 HB2 ASN 584 HB2 ASN 584 -17.038 -5.038 -7.144 573 HB3 ASN 584 HB3 ASN 584 -18.158 -5.591 -8.381 574 HD21 ASN 584 HD21 ASN 584 -16.112 -7.085 -7.028 575 HD22 ASN 584 HD22 ASN 584 -15.027 -7.658 -8.248 576 H GLY 585 HN GLY 585 -17.477 -1.253 -8.903 577 HA2 GLY 585 HA2 GLY 585 -19.304 0.158 -8.802 578 HA3 GLY 585 HA1 GLY 585 -20.348 -1.254 -8.808 579 H GLU 586 HN GLU 586 -18.050 -1.566 -6.379 580 HA GLU 586 HA GLU 586 -19.880 -0.414 -4.405 581 HB2 GLU 586 HB2 GLU 586 -20.179 -2.621 -3.964 582 HB3 GLU 586 HB3 GLU 586 -18.644 -3.078 -4.684 583 HG2 GLU 586 HG2 GLU 586 -17.465 -2.527 -2.736 584 HG3 GLU 586 HG3 GLU 586 -18.879 -1.765 -2.000 585 H LYS 587 HN LYS 587 -18.982 0.779 -2.772 586 HA LYS 587 HA LYS 587 -16.411 1.903 -3.458 587 HB2 LYS 587 HB2 LYS 587 -18.301 2.680 -1.238 588 HB3 LYS 587 HB3 LYS 587 -16.944 3.626 -1.830 589 HG2 LYS 587 HG2 LYS 587 -18.044 3.910 -3.973 590 HG3 LYS 587 HG3 LYS 587 -19.384 2.894 -3.438 591 HD2 LYS 587 HD2 LYS 587 -18.567 5.565 -2.292 592 HD3 LYS 587 HD3 LYS 587 -20.008 5.223 -3.250 593 HE2 LYS 587 HE2 LYS 587 -20.743 3.649 -1.465 594 HE3 LYS 587 HE3 LYS 587 -19.369 4.175 -0.496 595 HZ1 LYS 587 HZ1 LYS 587 -21.613 5.872 -1.432 596 HZ2 LYS 587 HZ2 LYS 587 -20.261 6.447 -0.599 597 HZ3 LYS 587 HZ3 LYS 587 -21.324 5.371 0.155 598 H LEU 588 HN LEU 588 -14.554 1.460 -2.548 599 HA LEU 588 HA LEU 588 -14.445 -0.075 -0.056 600 HB2 LEU 588 HB2 LEU 588 -12.139 0.846 -1.755 601 HB3 LEU 588 HB1 LEU 588 -12.132 -0.404 -0.530 602 HG LEU 588 HG LEU 588 -13.449 -0.563 -3.233 603 HD11 LEU 588 HD11 LEU 588 -11.018 -1.860 -2.023 604 HD12 LEU 588 HD12 LEU 588 -11.055 -0.684 -3.337 605 HD13 LEU 588 HD13 LEU 588 -11.724 -2.298 -3.579 606 HD21 LEU 588 HD21 LEU 588 -13.888 -2.908 -2.641 607 HD22 LEU 588 HD22 LEU 588 -14.755 -1.792 -1.586 608 HD23 LEU 588 HD23 LEU 588 -13.297 -2.600 -1.007 609 H LEU 589 HN LEU 589 -13.730 0.842 1.834 610 HA LEU 589 HA LEU 589 -13.014 3.658 1.724 611 HB2 LEU 589 HB2 LEU 589 -14.570 2.875 3.479 612 HB3 LEU 589 HB1 LEU 589 -13.305 1.845 4.121 613 HG LEU 589 HG LEU 589 -11.956 3.830 4.664 614 HD11 LEU 589 HD11 LEU 589 -12.726 5.332 2.929 615 HD12 LEU 589 HD12 LEU 589 -12.975 6.061 4.516 616 HD13 LEU 589 HD13 LEU 589 -14.339 5.364 3.641 617 HD21 LEU 589 HD21 LEU 589 -13.358 4.670 6.484 618 HD22 LEU 589 HD22 LEU 589 -13.461 2.915 6.344 619 HD23 LEU 589 HD23 LEU 589 -14.771 3.926 5.738 620 H ILE 590 HN ILE 590 -11.005 4.062 1.182 621 HA ILE 590 HA ILE 590 -8.849 2.279 2.056 622 HB ILE 590 HB ILE 590 -8.736 4.662 0.188 623 HG12 ILE 590 HG12 ILE 590 -8.862 1.714 -0.459 624 HG13 ILE 590 HG13 ILE 590 -10.085 2.921 -0.816 625 HG21 ILE 590 HG21 ILE 590 -6.542 3.769 -0.467 626 HG22 ILE 590 HG22 ILE 590 -6.696 2.528 0.778 627 HG23 ILE 590 HG23 ILE 590 -6.605 4.228 1.235 628 HD11 ILE 590 HD11 ILE 590 -8.539 4.038 -2.355 629 HD12 ILE 590 HD12 ILE 590 -8.812 2.356 -2.808 630 HD13 ILE 590 HD13 ILE 590 -7.315 2.818 -2.002 631 H ARG 591 HN ARG 591 -7.855 2.793 3.920 632 HA ARG 591 HA ARG 591 -7.539 5.599 4.638 633 HB2 ARG 591 HB2 ARG 591 -8.552 5.261 6.877 634 HB3 ARG 591 HB3 ARG 591 -9.702 5.154 5.554 635 HG2 ARG 591 HG2 ARG 591 -9.602 2.705 5.692 636 HG3 ARG 591 HG3 ARG 591 -8.493 2.847 7.058 637 HD2 ARG 591 HD2 ARG 591 -11.329 3.872 6.942 638 HD3 ARG 591 HD3 ARG 591 -10.767 2.460 7.836 639 HE ARG 591 HE ARG 591 -9.328 4.769 8.627 640 HH11 ARG 591 HH11 ARG 591 -12.442 3.211 8.988 641 HH12 ARG 591 HH12 ARG 591 -12.786 3.971 10.509 642 HH21 ARG 591 HH21 ARG 591 -9.780 5.776 10.622 643 HH22 ARG 591 HH22 ARG 591 -11.274 5.432 11.438 644 H MET 592 HN MET 592 -6.247 5.951 6.566 645 HA MET 592 HA MET 592 -3.802 4.554 6.337 646 HB2 MET 592 HB2 MET 592 -4.689 6.390 8.574 647 HB3 MET 592 HB3 MET 592 -3.037 5.989 8.145 648 HG2 MET 592 HG2 MET 592 -4.473 7.131 5.906 649 HG3 MET 592 HG3 MET 592 -4.493 8.185 7.315 650 HE1 MET 592 HE1 MET 592 -1.738 5.671 5.839 651 HE2 MET 592 HE2 MET 592 -0.741 6.861 4.995 652 HE3 MET 592 HE3 MET 592 -2.408 6.593 4.492 653 H SER 593 HN SER 593 -2.965 2.869 7.492 654 HA SER 593 HA SER 593 -4.675 1.595 9.462 655 HB2 SER 593 HB2 SER 593 -3.543 0.214 7.745 656 HB3 SER 593 HB3 SER 593 -1.982 0.708 8.397 657 HG SER 593 HG SER 593 -3.837 -1.100 9.390 658 H THR 594 HN THR 594 -4.390 1.656 11.591 659 HA THR 594 HA THR 594 -2.054 3.031 12.678 660 HB THR 594 HB THR 594 -3.353 2.761 14.861 661 HG1 THR 594 HG1 THR 594 -5.652 2.377 14.470 662 HG21 THR 594 HG21 THR 594 -4.644 4.310 12.611 663 HG22 THR 594 HG22 THR 594 -3.307 4.867 13.617 664 HG23 THR 594 HG23 THR 594 -4.896 4.596 14.333 665 H ARG 595 HN ARG 595 -2.792 0.038 11.726 666 HA ARG 595 HA ARG 595 -1.725 -1.400 14.031 667 HB2 ARG 595 HB2 ARG 595 -2.941 -2.370 11.444 668 HB3 ARG 595 HB3 ARG 595 -2.344 -3.427 12.713 669 HG2 ARG 595 HG2 ARG 595 -4.001 -2.513 14.258 670 HG3 ARG 595 HG3 ARG 595 -4.599 -1.448 12.982 671 HD2 ARG 595 HD2 ARG 595 -5.961 -3.502 13.272 672 HD3 ARG 595 HD3 ARG 595 -5.279 -3.336 11.655 673 HE ARG 595 HE ARG 595 -3.713 -4.915 13.508 674 HH11 ARG 595 HH11 ARG 595 -6.195 -4.955 11.039 675 HH12 ARG 595 HH12 ARG 595 -5.907 -6.607 10.600 676 HH21 ARG 595 HH21 ARG 595 -3.324 -7.072 12.937 677 HH22 ARG 595 HH22 ARG 595 -4.269 -7.821 11.688 678 H TYR 596 HN TYR 596 -0.940 -0.650 10.674 679 HA TYR 596 HA TYR 596 1.691 -1.907 11.107 680 HB2 TYR 596 HB2 TYR 596 0.068 -1.752 8.561 681 HB3 TYR 596 HB3 TYR 596 1.749 -2.259 8.619 682 HD1 TYR 596 HD1 TYR 596 2.289 -4.498 8.991 683 HD2 TYR 596 HD2 TYR 596 -1.637 -3.133 9.893 684 HE1 TYR 596 HE1 TYR 596 1.571 -6.822 9.354 685 HE2 TYR 596 HE2 TYR 596 -2.364 -5.451 10.266 686 HH TYR 596 HH TYR 596 -0.178 -8.047 10.546 687 H LYS 597 HN LYS 597 3.393 -0.607 10.898 688 HA LYS 597 HA LYS 597 3.085 2.032 9.698 689 HB2 LYS 597 HB2 LYS 597 5.399 0.731 11.139 690 HB3 LYS 597 HB3 LYS 597 5.468 2.337 10.433 691 HG2 LYS 597 HG2 LYS 597 3.621 3.031 11.916 692 HG3 LYS 597 HG3 LYS 597 3.670 1.435 12.670 693 HD2 LYS 597 HD2 LYS 597 5.986 1.816 13.341 694 HD3 LYS 597 HD3 LYS 597 5.956 3.399 12.565 695 HE2 LYS 597 HE2 LYS 597 4.182 4.106 14.104 696 HE3 LYS 597 HE3 LYS 597 4.240 2.528 14.887 697 HZ1 LYS 597 HZ1 LYS 597 5.512 4.184 16.106 698 HZ2 LYS 597 HZ2 LYS 597 6.487 4.466 14.754 699 HZ3 LYS 597 HZ3 LYS 597 6.523 2.962 15.524 700 H GLU 598 HN GLU 598 4.685 -1.025 9.192 701 HA GLU 598 HA GLU 598 5.122 -0.348 6.405 702 HB2 GLU 598 HB2 GLU 598 7.475 -1.191 6.503 703 HB3 GLU 598 HB3 GLU 598 7.225 0.338 7.334 704 HG2 GLU 598 HG2 GLU 598 7.084 -0.929 9.474 705 HG3 GLU 598 HG3 GLU 598 7.522 -2.386 8.582 706 H LEU 599 HN LEU 599 5.282 -2.139 5.055 707 HA LEU 599 HA LEU 599 4.176 -4.578 6.232 708 HB2 LEU 599 HB2 LEU 599 4.482 -3.678 3.368 709 HB3 LEU 599 HB1 LEU 599 3.846 -5.243 3.836 710 HG LEU 599 HG LEU 599 2.599 -2.584 4.553 711 HD11 LEU 599 HD11 LEU 599 1.745 -4.673 2.564 712 HD12 LEU 599 HD12 LEU 599 2.452 -3.108 2.159 713 HD13 LEU 599 HD13 LEU 599 0.880 -3.189 2.959 714 HD21 LEU 599 HD21 LEU 599 1.579 -5.395 4.896 715 HD22 LEU 599 HD22 LEU 599 0.709 -3.916 5.289 716 HD23 LEU 599 HD23 LEU 599 2.156 -4.353 6.199 717 H GLN 600 HN GLN 600 5.390 -6.268 6.647 718 HA GLN 600 HA GLN 600 8.100 -6.353 5.549 719 HB2 GLN 600 HB2 GLN 600 6.866 -7.869 7.856 720 HB3 GLN 600 HB3 GLN 600 8.550 -7.966 7.357 721 HG2 GLN 600 HG2 GLN 600 7.173 -5.465 8.309 722 HG3 GLN 600 HG3 GLN 600 8.208 -6.496 9.299 723 HE21 GLN 600 HE21 GLN 600 8.084 -4.177 6.727 724 HE22 GLN 600 HE22 GLN 600 9.776 -3.851 6.664 725 H LEU 601 HN LEU 601 7.958 -7.292 3.594 726 HA LEU 601 HA LEU 601 6.227 -9.575 3.186 727 HB2 LEU 601 HB2 LEU 601 8.021 -8.027 1.330 728 HB3 LEU 601 HB1 LEU 601 7.124 -9.447 0.831 729 HG LEU 601 HG LEU 601 5.992 -6.802 1.733 730 HD11 LEU 601 HD11 LEU 601 6.788 -6.867 -0.568 731 HD12 LEU 601 HD12 LEU 601 5.028 -6.777 -0.511 732 HD13 LEU 601 HD13 LEU 601 5.822 -8.310 -0.871 733 HD21 LEU 601 HD21 LEU 601 4.624 -8.563 2.669 734 HD22 LEU 601 HD22 LEU 601 4.563 -9.382 1.108 735 HD23 LEU 601 HD23 LEU 601 3.786 -7.811 1.313 736 H LYS 602 HN LYS 602 6.789 -11.591 2.856 737 HA LYS 602 HA LYS 602 9.359 -12.563 3.607 738 HB2 LYS 602 HB2 LYS 602 7.300 -13.825 4.021 739 HB3 LYS 602 HB3 LYS 602 6.980 -13.909 2.299 740 HG2 LYS 602 HG2 LYS 602 9.513 -15.071 3.340 741 HG3 LYS 602 HG3 LYS 602 8.001 -15.940 3.596 742 HD2 LYS 602 HD2 LYS 602 7.576 -15.901 1.182 743 HD3 LYS 602 HD3 LYS 602 9.095 -15.038 0.931 744 HE2 LYS 602 HE2 LYS 602 8.782 -17.808 2.085 745 HE3 LYS 602 HE3 LYS 602 9.364 -17.413 0.469 746 HZ1 LYS 602 HZ1 LYS 602 10.687 -16.659 3.017 747 HZ2 LYS 602 HZ2 LYS 602 11.245 -16.272 1.469 748 HZ3 LYS 602 HZ3 LYS 602 11.188 -17.884 1.968 749 H LYS 603 HN LYS 603 7.891 -11.517 0.713 750 HA LYS 603 HA LYS 603 9.725 -12.831 -1.093 751 HB2 LYS 603 HB2 LYS 603 7.763 -10.582 -1.604 752 HB3 LYS 603 HB3 LYS 603 8.544 -11.581 -2.821 753 HG2 LYS 603 HG2 LYS 603 7.318 -13.514 -2.112 754 HG3 LYS 603 HG3 LYS 603 6.656 -12.642 -0.730 755 HD2 LYS 603 HD2 LYS 603 4.995 -12.783 -2.492 756 HD3 LYS 603 HD3 LYS 603 5.504 -11.107 -2.278 757 HE2 LYS 603 HE2 LYS 603 5.351 -11.591 -4.627 758 HE3 LYS 603 HE3 LYS 603 7.044 -11.378 -4.196 759 HZ1 LYS 603 HZ1 LYS 603 5.647 -13.964 -4.608 760 HZ2 LYS 603 HZ2 LYS 603 7.256 -13.808 -4.112 761 HZ3 LYS 603 HZ3 LYS 603 6.787 -13.264 -5.642 762 HA PRO 604 HA PRO 604 12.907 -9.677 -1.240 763 HB2 PRO 604 HB2 PRO 604 12.625 -9.722 -4.193 764 HB3 PRO 604 HB3 PRO 604 14.059 -9.991 -3.199 765 HG2 PRO 604 HG2 PRO 604 12.833 -12.021 -4.427 766 HG3 PRO 604 HG3 PRO 604 13.538 -12.211 -2.811 767 HD2 PRO 604 HD2 PRO 604 10.675 -11.893 -3.608 768 HD3 PRO 604 HD3 PRO 604 11.386 -12.897 -2.329 769 H GLY 605 HN GLY 605 13.057 -7.449 -1.466 770 HA2 GLY 605 HA2 GLY 605 10.492 -6.173 -1.514 771 HA3 GLY 605 HA1 GLY 605 12.027 -5.414 -1.142 772 H LYS 606 HN LYS 606 10.706 -6.994 -4.042 773 HA LYS 606 HA LYS 606 10.307 -6.271 -6.146 774 HB2 LYS 606 HB2 LYS 606 10.092 -3.663 -4.668 775 HB3 LYS 606 HB3 LYS 606 9.906 -3.737 -6.413 776 HG2 LYS 606 HG2 LYS 606 7.738 -3.776 -5.416 777 HG3 LYS 606 HG3 LYS 606 8.062 -5.370 -6.096 778 HD2 LYS 606 HD2 LYS 606 8.708 -6.158 -3.842 779 HD3 LYS 606 HD3 LYS 606 8.273 -4.575 -3.194 780 HE2 LYS 606 HE2 LYS 606 6.444 -6.543 -4.552 781 HE3 LYS 606 HE3 LYS 606 6.452 -6.116 -2.843 782 HZ1 LYS 606 HZ1 LYS 606 4.702 -4.935 -3.909 783 HZ2 LYS 606 HZ2 LYS 606 5.726 -4.363 -5.120 784 HZ3 LYS 606 HZ3 LYS 606 5.912 -3.813 -3.529 785 H ASN 607 HN ASN 607 11.050 -4.556 -7.845 786 HA ASN 607 HA ASN 607 13.582 -3.345 -7.600 787 HB2 ASN 607 HB2 ASN 607 14.945 -4.746 -9.033 788 HB3 ASN 607 HB3 ASN 607 14.368 -5.709 -7.680 789 HD21 ASN 607 HD21 ASN 607 12.907 -7.366 -8.051 790 HD22 ASN 607 HD22 ASN 607 12.576 -7.969 -9.638 791 H VAL 608 HN VAL 608 11.072 -4.713 -9.589 792 HA VAL 608 HA VAL 608 9.929 -3.974 -11.385 793 HB VAL 608 HB VAL 608 11.234 -1.295 -10.872 794 HG11 VAL 608 HG11 VAL 608 9.292 -0.381 -12.051 795 HG12 VAL 608 HG12 VAL 608 8.709 -2.016 -12.362 796 HG13 VAL 608 HG13 VAL 608 10.221 -1.466 -13.086 797 HG21 VAL 608 HG21 VAL 608 9.210 -0.760 -9.605 798 HG22 VAL 608 HG22 VAL 608 10.077 -2.117 -8.887 799 HG23 VAL 608 HG23 VAL 608 8.624 -2.405 -9.842 800 H ALA 609 HN ALA 609 12.707 -1.842 -11.868 801 HA ALA 609 HA ALA 609 13.509 -3.466 -14.181 802 HB1 ALA 609 HB1 ALA 609 13.225 -0.472 -14.070 803 HB2 ALA 609 HB2 ALA 609 12.253 -1.588 -15.028 804 HB3 ALA 609 HB3 ALA 609 13.962 -1.361 -15.402 805 H ALA 610 HN ALA 610 14.420 -0.894 -11.913 806 HA ALA 610 HA ALA 610 17.102 -2.026 -11.734 807 HB1 ALA 610 HB1 ALA 610 16.602 0.898 -12.300 808 HB2 ALA 610 HB2 ALA 610 17.245 -0.274 -13.451 809 HB3 ALA 610 HB3 ALA 610 18.170 0.142 -12.010 810 H ILE 611 HN ILE 611 18.183 -1.482 -9.788 811 HA ILE 611 HA ILE 611 16.408 -0.947 -7.587 812 HB ILE 611 HB ILE 611 19.411 -1.335 -7.564 813 HG12 ILE 611 HG12 ILE 611 18.246 -3.297 -8.469 814 HG13 ILE 611 HG13 ILE 611 18.912 -3.646 -6.877 815 HG21 ILE 611 HG21 ILE 611 18.614 -0.205 -5.561 816 HG22 ILE 611 HG22 ILE 611 19.108 -1.856 -5.182 817 HG23 ILE 611 HG23 ILE 611 17.396 -1.458 -5.320 818 HD11 ILE 611 HD11 ILE 611 16.709 -4.601 -7.102 819 HD12 ILE 611 HD12 ILE 611 16.039 -3.022 -7.511 820 HD13 ILE 611 HD13 ILE 611 16.688 -3.312 -5.898 821 H ILE 612 HN ILE 612 15.768 1.187 -8.104 822 HA ILE 612 HA ILE 612 17.806 3.231 -7.529 823 HB ILE 612 HB ILE 612 15.180 3.511 -9.004 824 HG12 ILE 612 HG12 ILE 612 18.018 3.714 -10.028 825 HG13 ILE 612 HG13 ILE 612 16.969 2.320 -10.252 826 HG21 ILE 612 HG21 ILE 612 15.728 5.536 -7.748 827 HG22 ILE 612 HG22 ILE 612 15.912 5.810 -9.480 828 HG23 ILE 612 HG23 ILE 612 17.337 5.561 -8.471 829 HD11 ILE 612 HD11 ILE 612 17.053 3.707 -12.239 830 HD12 ILE 612 HD12 ILE 612 16.469 5.089 -11.311 831 HD13 ILE 612 HD13 ILE 612 15.431 3.682 -11.548 832 H GLN 613 HN GLN 613 17.682 3.329 -5.338 833 HA GLN 613 HA GLN 613 15.145 3.202 -3.977 834 HB2 GLN 613 HB2 GLN 613 17.939 3.671 -2.924 835 HB3 GLN 613 HB3 GLN 613 16.514 3.402 -1.928 836 HG2 GLN 613 HG2 GLN 613 16.249 1.182 -2.858 837 HG3 GLN 613 HG3 GLN 613 17.621 1.445 -3.930 838 HE21 GLN 613 HE21 GLN 613 19.119 2.879 -1.848 839 HE22 GLN 613 HE22 GLN 613 19.694 1.660 -0.769 840 H ASP 614 HN ASP 614 14.777 5.241 -5.502 841 HA ASP 614 HA ASP 614 14.672 7.479 -3.639 842 HB2 ASP 614 HB2 ASP 614 16.098 7.552 -6.263 843 HB3 ASP 614 HB3 ASP 614 15.197 8.976 -5.759 844 H ILE 615 HN ILE 615 14.010 6.895 -7.080 845 HA ILE 615 HA ILE 615 12.184 7.083 -8.366 846 HB ILE 615 HB ILE 615 10.651 6.769 -5.787 847 HG12 ILE 615 HG12 ILE 615 11.442 4.743 -7.895 848 HG13 ILE 615 HG13 ILE 615 12.171 4.887 -6.300 849 HG21 ILE 615 HG21 ILE 615 9.278 7.749 -7.519 850 HG22 ILE 615 HG22 ILE 615 8.806 6.068 -7.265 851 HG23 ILE 615 HG23 ILE 615 9.791 6.508 -8.661 852 HD11 ILE 615 HD11 ILE 615 10.581 3.067 -6.380 853 HD12 ILE 615 HD12 ILE 615 9.307 4.183 -6.874 854 HD13 ILE 615 HD13 ILE 615 10.037 4.328 -5.274 855 H HIS 616 HN HIS 616 11.187 8.797 -5.391 856 HA HIS 616 HA HIS 616 10.378 11.050 -7.063 857 HB2 HIS 616 HB2 HIS 616 9.813 10.307 -4.198 858 HB3 HIS 616 HB3 HIS 616 9.475 11.927 -4.810 859 HD1 HIS 616 HD1 HIS 616 6.991 10.809 -3.979 860 HD2 HIS 616 HD2 HIS 616 8.603 9.688 -7.642 861 HE1 HIS 616 HE1 HIS 616 5.072 9.866 -5.304 862 HE2 HIS 616 HE2 HIS 616 6.050 9.290 -7.552 863 H SER 617 HN SER 617 12.726 11.227 -7.481 864 HA SER 617 HA SER 617 13.910 13.457 -6.395 865 HB2 SER 617 HB2 SER 617 14.133 12.139 -4.298 866 HB3 SER 617 HB3 SER 617 15.049 10.919 -5.177 867 HG SER 617 HG SER 617 16.647 12.122 -4.465 868 H GLN 618 HN GLN 618 14.575 10.175 -7.478 869 HA GLN 618 HA GLN 618 16.180 11.261 -9.686 870 HB2 GLN 618 HB2 GLN 618 16.693 8.764 -8.058 871 HB3 GLN 618 HB3 GLN 618 17.464 9.082 -9.605 872 HG2 GLN 618 HG2 GLN 618 17.683 10.897 -7.214 873 HG3 GLN 618 HG3 GLN 618 18.845 9.630 -7.602 874 HE21 GLN 618 HE21 GLN 618 20.524 11.079 -7.860 875 HE22 GLN 618 HE22 GLN 618 20.637 12.141 -9.221 876 H ARG 619 HN ARG 619 15.512 10.648 -11.636 877 HA ARG 619 HA ARG 619 13.049 9.261 -11.900 878 HB2 ARG 619 HB2 ARG 619 15.045 10.216 -13.951 879 HB3 ARG 619 HB3 ARG 619 13.487 9.512 -14.358 880 HG2 ARG 619 HG2 ARG 619 13.784 11.952 -12.628 881 HG3 ARG 619 HG3 ARG 619 13.603 12.021 -14.380 882 HD2 ARG 619 HD2 ARG 619 11.445 12.346 -13.393 883 HD3 ARG 619 HD3 ARG 619 11.473 10.757 -14.146 884 HE ARG 619 HE ARG 619 11.943 11.039 -11.255 885 HH11 ARG 619 HH11 ARG 619 10.031 9.796 -13.919 886 HH12 ARG 619 HH12 ARG 619 9.102 8.729 -12.913 887 HH21 ARG 619 HH21 ARG 619 10.722 9.626 -9.939 888 HH22 ARG 619 HH22 ARG 619 9.487 8.636 -10.666 889 H GLU 620 HN GLU 620 12.593 7.263 -12.650 890 HA GLU 620 HA GLU 620 14.665 5.282 -12.464 891 HB2 GLU 620 HB2 GLU 620 12.819 3.673 -12.895 892 HB3 GLU 620 HB3 GLU 620 12.511 4.743 -11.538 893 HG2 GLU 620 HG2 GLU 620 11.033 6.096 -12.912 894 HG3 GLU 620 HG3 GLU 620 11.379 5.079 -14.310 895 H ARG 621 HN ARG 621 15.735 4.343 -14.071 896 HA ARG 621 HA ARG 621 15.167 5.279 -16.776 897 HB2 ARG 621 HB2 ARG 621 17.486 4.544 -17.287 898 HB3 ARG 621 HB3 ARG 621 17.394 5.784 -16.049 899 HG2 ARG 621 HG2 ARG 621 17.622 3.983 -14.336 900 HG3 ARG 621 HG3 ARG 621 17.914 2.850 -15.657 901 HD2 ARG 621 HD2 ARG 621 19.549 5.303 -15.025 902 HD3 ARG 621 HD3 ARG 621 20.014 3.637 -14.687 903 HE ARG 621 HE ARG 621 19.614 3.572 -17.339 904 HH11 ARG 621 HH11 ARG 621 21.418 5.791 -15.311 905 HH12 ARG 621 HH12 ARG 621 22.572 6.179 -16.548 906 HH21 ARG 621 HH21 ARG 621 21.143 4.062 -18.956 907 HH22 ARG 621 HH22 ARG 621 22.432 5.175 -18.610 Start of MODEL 24 1 H1 GLY 510 HT1 GLY 510 15.559 -7.269 5.356 2 H2 GLY 510 HT2 GLY 510 16.829 -8.372 5.230 3 H3 GLY 510 HT3 GLY 510 15.252 -8.925 5.488 4 HA2 GLY 510 HA1 GLY 510 16.253 -7.563 3.055 5 HA3 GLY 510 HA2 GLY 510 15.879 -9.275 3.199 6 H ALA 511 HN ALA 511 14.499 -6.038 3.294 7 HA ALA 511 HA ALA 511 12.009 -7.109 2.197 8 HB1 ALA 511 HB1 ALA 511 12.106 -5.327 4.633 9 HB2 ALA 511 HB2 ALA 511 11.636 -7.027 4.610 10 HB3 ALA 511 HB3 ALA 511 10.646 -5.827 3.780 11 H MET 512 HN MET 512 13.802 -4.200 3.191 12 HA MET 512 HA MET 512 14.017 -2.138 2.264 13 HB2 MET 512 HB2 MET 512 13.524 -3.797 -0.198 14 HB3 MET 512 HB3 MET 512 13.782 -2.063 -0.300 15 HG2 MET 512 HG2 MET 512 15.839 -3.219 -0.740 16 HG3 MET 512 HG3 MET 512 15.968 -2.342 0.780 17 HE1 MET 512 HE1 MET 512 18.145 -3.722 1.396 18 HE2 MET 512 HE2 MET 512 18.024 -4.618 -0.118 19 HE3 MET 512 HE3 MET 512 18.221 -5.483 1.406 20 H ALA 513 HN ALA 513 11.668 -2.570 3.488 21 HA ALA 513 HA ALA 513 9.547 -1.516 1.775 22 HB1 ALA 513 HB1 ALA 513 9.009 -3.456 3.158 23 HB2 ALA 513 HB2 ALA 513 8.064 -2.051 3.653 24 HB3 ALA 513 HB3 ALA 513 9.456 -2.560 4.610 25 H GLN 514 HN GLN 514 8.099 0.122 2.915 26 HA GLN 514 HA GLN 514 7.806 2.261 3.607 27 HB2 GLN 514 HB2 GLN 514 10.174 1.656 5.388 28 HB3 GLN 514 HB3 GLN 514 9.175 3.095 5.514 29 HG2 GLN 514 HG2 GLN 514 7.275 1.788 6.145 30 HG3 GLN 514 HG3 GLN 514 8.151 0.288 5.830 31 HE21 GLN 514 HE21 GLN 514 9.823 -0.322 7.228 32 HE22 GLN 514 HE22 GLN 514 9.940 0.308 8.834 33 H ARG 515 HN ARG 515 11.218 2.552 4.236 34 HA ARG 515 HA ARG 515 12.924 3.654 3.261 35 HB2 ARG 515 HB2 ARG 515 11.324 3.313 0.720 36 HB3 ARG 515 HB3 ARG 515 13.021 3.761 0.814 37 HG2 ARG 515 HG2 ARG 515 11.852 1.156 1.771 38 HG3 ARG 515 HG3 ARG 515 12.709 1.399 0.250 39 HD2 ARG 515 HD2 ARG 515 13.874 1.843 2.996 40 HD3 ARG 515 HD3 ARG 515 14.139 0.415 2.001 41 HE ARG 515 HE ARG 515 14.854 2.682 0.519 42 HH11 ARG 515 HH11 ARG 515 15.927 0.865 3.308 43 HH12 ARG 515 HH12 ARG 515 17.595 1.296 3.109 44 HH21 ARG 515 HH21 ARG 515 17.053 3.257 0.249 45 HH22 ARG 515 HH22 ARG 515 18.235 2.657 1.371 46 H LYS 516 HN LYS 516 13.343 5.655 1.681 47 HA LYS 516 HA LYS 516 13.172 7.896 1.413 48 HB2 LYS 516 HB2 LYS 516 10.241 7.213 1.476 49 HB3 LYS 516 HB3 LYS 516 10.780 8.877 1.364 50 HG2 LYS 516 HG2 LYS 516 10.287 8.195 -0.826 51 HG3 LYS 516 HG3 LYS 516 12.041 8.212 -0.712 52 HD2 LYS 516 HD2 LYS 516 10.635 5.652 -0.165 53 HD3 LYS 516 HD3 LYS 516 10.707 6.213 -1.835 54 HE2 LYS 516 HE2 LYS 516 13.044 5.728 0.004 55 HE3 LYS 516 HE3 LYS 516 12.561 4.730 -1.363 56 HZ1 LYS 516 HZ1 LYS 516 14.413 6.198 -1.899 57 HZ2 LYS 516 HZ2 LYS 516 13.466 7.551 -1.544 58 HZ3 LYS 516 HZ3 LYS 516 13.058 6.554 -2.844 59 H GLY 517 HN GLY 517 13.255 6.602 4.118 60 HA2 GLY 517 HA2 GLY 517 13.807 7.662 6.129 61 HA3 GLY 517 HA1 GLY 517 12.972 9.103 5.573 62 H ALA 518 HN ALA 518 10.547 7.541 4.873 63 HA ALA 518 HA ALA 518 9.584 7.090 7.618 64 HB1 ALA 518 HB1 ALA 518 8.140 8.609 5.450 65 HB2 ALA 518 HB2 ALA 518 8.879 9.297 6.895 66 HB3 ALA 518 HB3 ALA 518 7.490 8.223 7.042 67 H GLY 519 HN GLY 519 7.732 6.986 4.613 68 HA2 GLY 519 HA2 GLY 519 6.651 5.228 3.575 69 HA3 GLY 519 HA1 GLY 519 7.633 4.120 4.523 70 H ARG 520 HN ARG 520 4.653 4.324 3.894 71 HA ARG 520 HA ARG 520 3.771 3.729 6.608 72 HB2 ARG 520 HB2 ARG 520 2.492 5.852 4.889 73 HB3 ARG 520 HB3 ARG 520 1.655 5.077 6.223 74 HG2 ARG 520 HG2 ARG 520 3.472 5.893 7.730 75 HG3 ARG 520 HG3 ARG 520 4.106 6.813 6.362 76 HD2 ARG 520 HD2 ARG 520 1.956 7.973 6.161 77 HD3 ARG 520 HD3 ARG 520 1.345 7.068 7.543 78 HE ARG 520 HE ARG 520 3.751 8.620 8.011 79 HH11 ARG 520 HH11 ARG 520 0.265 8.419 8.265 80 HH12 ARG 520 HH12 ARG 520 0.144 9.742 9.380 81 HH21 ARG 520 HH21 ARG 520 3.600 10.337 9.496 82 HH22 ARG 520 HH22 ARG 520 2.045 10.833 10.086 83 H VAL 521 HN VAL 521 1.958 2.389 6.706 84 HA VAL 521 HA VAL 521 1.216 1.138 4.167 85 HB VAL 521 HB VAL 521 0.839 0.189 7.015 86 HG11 VAL 521 HG11 VAL 521 0.054 -1.179 4.442 87 HG12 VAL 521 HG12 VAL 521 -1.055 -0.523 5.646 88 HG13 VAL 521 HG13 VAL 521 -0.020 -1.893 6.053 89 HG21 VAL 521 HG21 VAL 521 2.374 -1.614 6.313 90 HG22 VAL 521 HG22 VAL 521 3.117 -0.015 6.244 91 HG23 VAL 521 HG23 VAL 521 2.577 -0.802 4.760 92 H VAL 522 HN VAL 522 -0.750 1.310 3.340 93 HA VAL 522 HA VAL 522 -2.850 2.642 4.927 94 HB VAL 522 HB VAL 522 -2.629 2.356 1.918 95 HG11 VAL 522 HG11 VAL 522 -4.577 3.917 3.587 96 HG12 VAL 522 HG12 VAL 522 -4.926 2.452 2.669 97 HG13 VAL 522 HG13 VAL 522 -4.471 3.932 1.828 98 HG21 VAL 522 HG21 VAL 522 -2.198 4.772 1.918 99 HG22 VAL 522 HG22 VAL 522 -0.936 3.873 2.760 100 HG23 VAL 522 HG23 VAL 522 -2.158 4.751 3.679 101 H HIS 523 HN HIS 523 -4.751 1.533 5.292 102 HA HIS 523 HA HIS 523 -4.840 -1.175 4.156 103 HB2 HIS 523 HB2 HIS 523 -5.966 -1.969 6.111 104 HB3 HIS 523 HB3 HIS 523 -4.521 -1.109 6.618 105 HD1 HIS 523 HD1 HIS 523 -4.834 0.681 8.315 106 HD2 HIS 523 HD2 HIS 523 -8.384 -0.431 6.486 107 HE1 HIS 523 HE1 HIS 523 -6.646 1.829 9.629 108 HE2 HIS 523 HE2 HIS 523 -8.785 0.889 8.692 109 H ILE 524 HN ILE 524 -6.648 -1.959 3.285 110 HA ILE 524 HA ILE 524 -8.750 0.022 2.733 111 HB ILE 524 HB ILE 524 -7.721 -2.240 1.024 112 HG12 ILE 524 HG12 ILE 524 -7.623 0.759 0.665 113 HG13 ILE 524 HG13 ILE 524 -6.271 -0.250 1.161 114 HG21 ILE 524 HG21 ILE 524 -9.255 -1.291 -0.709 115 HG22 ILE 524 HG22 ILE 524 -10.007 -0.335 0.569 116 HG23 ILE 524 HG23 ILE 524 -10.061 -2.100 0.634 117 HD11 ILE 524 HD11 ILE 524 -6.192 0.392 -1.201 118 HD12 ILE 524 HD12 ILE 524 -7.707 -0.471 -1.466 119 HD13 ILE 524 HD13 ILE 524 -6.264 -1.352 -0.965 120 H CYS 525 HN CYS 525 -10.777 -0.449 3.254 121 HA CYS 525 HA CYS 525 -11.349 -3.170 4.231 122 HB2 CYS 525 HB2 CYS 525 -12.674 -0.583 5.074 123 HB3 CYS 525 HB3 CYS 525 -12.932 -2.174 5.777 124 HG CYS 525 HG CYS 525 -10.734 -2.310 7.242 125 H ASN 526 HN ASN 526 -13.825 -3.556 4.234 126 HA ASN 526 HA ASN 526 -15.789 -3.837 3.135 127 HB2 ASN 526 HB2 ASN 526 -14.977 -1.257 1.791 128 HB3 ASN 526 HB3 ASN 526 -16.497 -2.077 1.453 129 HD21 ASN 526 HD21 ASN 526 -17.646 -0.281 2.199 130 HD22 ASN 526 HD22 ASN 526 -17.821 0.040 3.890 131 H LEU 527 HN LEU 527 -13.267 -4.978 2.194 132 HA LEU 527 HA LEU 527 -13.453 -5.003 -0.692 133 HB2 LEU 527 HB2 LEU 527 -11.650 -6.387 1.290 134 HB3 LEU 527 HB1 LEU 527 -11.557 -6.679 -0.437 135 HG LEU 527 HG LEU 527 -11.233 -3.937 0.776 136 HD11 LEU 527 HD11 LEU 527 -9.473 -5.468 1.597 137 HD12 LEU 527 HD12 LEU 527 -8.854 -4.196 0.541 138 HD13 LEU 527 HD13 LEU 527 -9.056 -5.841 -0.076 139 HD21 LEU 527 HD21 LEU 527 -10.590 -5.107 -1.921 140 HD22 LEU 527 HD22 LEU 527 -10.167 -3.479 -1.394 141 HD23 LEU 527 HD23 LEU 527 -11.861 -3.942 -1.552 142 HA PRO 528 HA PRO 528 -16.210 -8.566 -0.641 143 HB2 PRO 528 HB2 PRO 528 -16.372 -8.769 -3.359 144 HB3 PRO 528 HB3 PRO 528 -17.349 -7.650 -2.401 145 HG2 PRO 528 HG2 PRO 528 -14.865 -7.129 -3.976 146 HG3 PRO 528 HG3 PRO 528 -16.322 -6.133 -3.815 147 HD2 PRO 528 HD2 PRO 528 -14.030 -5.623 -2.459 148 HD3 PRO 528 HD3 PRO 528 -15.636 -5.233 -1.812 149 H GLU 529 HN GLU 529 -15.679 -10.628 -0.543 150 HA GLU 529 HA GLU 529 -13.042 -11.516 -1.085 151 HB2 GLU 529 HB2 GLU 529 -15.520 -13.113 -0.423 152 HB3 GLU 529 HB3 GLU 529 -13.866 -13.706 -0.341 153 HG2 GLU 529 HG2 GLU 529 -13.352 -12.107 1.405 154 HG3 GLU 529 HG3 GLU 529 -14.980 -11.439 1.297 155 H GLY 530 HN GLY 530 -12.193 -12.481 -2.818 156 HA2 GLY 530 HA2 GLY 530 -12.059 -13.783 -4.719 157 HA3 GLY 530 HA1 GLY 530 -13.788 -14.059 -4.615 158 H SER 531 HN SER 531 -14.005 -10.969 -4.499 159 HA SER 531 HA SER 531 -14.301 -10.715 -7.373 160 HB2 SER 531 HB2 SER 531 -15.060 -8.753 -5.200 161 HB3 SER 531 HB3 SER 531 -15.616 -8.745 -6.875 162 HG SER 531 HG SER 531 -16.978 -9.766 -5.089 163 H CYS 532 HN CYS 532 -12.389 -9.351 -4.770 164 HA CYS 532 HA CYS 532 -11.178 -7.360 -6.491 165 HB2 CYS 532 HB2 CYS 532 -10.450 -8.140 -3.662 166 HB3 CYS 532 HB3 CYS 532 -9.939 -6.687 -4.516 167 HG CYS 532 HG CYS 532 -12.859 -7.367 -2.993 168 H THR 533 HN THR 533 -9.212 -7.496 -7.450 169 HA THR 533 HA THR 533 -7.696 -9.984 -7.042 170 HB THR 533 HB THR 533 -6.622 -9.545 -9.188 171 HG1 THR 533 HG1 THR 533 -8.313 -7.242 -9.377 172 HG21 THR 533 HG21 THR 533 -8.730 -10.770 -9.235 173 HG22 THR 533 HG22 THR 533 -8.566 -9.767 -10.675 174 HG23 THR 533 HG23 THR 533 -9.622 -9.253 -9.359 175 H GLU 534 HN GLU 534 -5.224 -9.628 -7.341 176 HA GLU 534 HA GLU 534 -4.300 -7.906 -5.320 177 HB2 GLU 534 HB2 GLU 534 -2.651 -8.948 -7.632 178 HB3 GLU 534 HB3 GLU 534 -2.072 -8.460 -6.044 179 HG2 GLU 534 HG2 GLU 534 -3.185 -10.345 -5.021 180 HG3 GLU 534 HG3 GLU 534 -3.864 -10.817 -6.577 181 H ASN 535 HN ASN 535 -4.420 -7.610 -8.814 182 HA ASN 535 HA ASN 535 -2.965 -5.250 -9.123 183 HB2 ASN 535 HB2 ASN 535 -3.496 -6.710 -10.997 184 HB3 ASN 535 HB3 ASN 535 -5.211 -6.373 -10.806 185 HD21 ASN 535 HD21 ASN 535 -6.055 -4.472 -11.593 186 HD22 ASN 535 HD22 ASN 535 -5.149 -3.376 -12.577 187 H ASP 536 HN ASP 536 -6.451 -5.731 -8.568 188 HA ASP 536 HA ASP 536 -7.252 -3.089 -9.083 189 HB2 ASP 536 HB2 ASP 536 -8.450 -5.164 -7.249 190 HB3 ASP 536 HB3 ASP 536 -9.189 -3.598 -7.545 191 H VAL 537 HN VAL 537 -6.337 -4.646 -6.045 192 HA VAL 537 HA VAL 537 -6.906 -2.454 -4.376 193 HB VAL 537 HB VAL 537 -4.895 -4.664 -3.904 194 HG11 VAL 537 HG11 VAL 537 -4.729 -2.738 -2.359 195 HG12 VAL 537 HG12 VAL 537 -5.195 -4.241 -1.566 196 HG13 VAL 537 HG13 VAL 537 -6.412 -3.012 -1.902 197 HG21 VAL 537 HG21 VAL 537 -7.837 -4.560 -3.252 198 HG22 VAL 537 HG22 VAL 537 -6.720 -5.835 -2.761 199 HG23 VAL 537 HG23 VAL 537 -7.074 -5.584 -4.471 200 H ILE 538 HN ILE 538 -3.905 -3.550 -5.897 201 HA ILE 538 HA ILE 538 -2.240 -1.536 -4.809 202 HB ILE 538 HB ILE 538 -1.898 -3.179 -7.325 203 HG12 ILE 538 HG12 ILE 538 -0.733 -3.585 -4.561 204 HG13 ILE 538 HG13 ILE 538 -2.124 -4.460 -5.190 205 HG21 ILE 538 HG21 ILE 538 0.489 -2.645 -7.132 206 HG22 ILE 538 HG22 ILE 538 0.136 -1.581 -5.771 207 HG23 ILE 538 HG23 ILE 538 -0.484 -1.194 -7.377 208 HD11 ILE 538 HD11 ILE 538 0.669 -4.538 -6.306 209 HD12 ILE 538 HD12 ILE 538 -0.723 -5.408 -6.951 210 HD13 ILE 538 HD13 ILE 538 -0.111 -5.793 -5.342 211 H ASN 539 HN ASN 539 -4.044 -1.812 -7.843 212 HA ASN 539 HA ASN 539 -3.025 0.537 -9.037 213 HB2 ASN 539 HB2 ASN 539 -5.427 -1.168 -9.570 214 HB3 ASN 539 HB3 ASN 539 -5.241 0.373 -10.399 215 HD21 ASN 539 HD21 ASN 539 -2.552 -1.679 -9.496 216 HD22 ASN 539 HD22 ASN 539 -2.110 -2.124 -11.106 217 H LEU 540 HN LEU 540 -5.592 0.035 -6.730 218 HA LEU 540 HA LEU 540 -6.843 2.557 -7.202 219 HB2 LEU 540 HB2 LEU 540 -6.992 0.661 -4.876 220 HB3 LEU 540 HB1 LEU 540 -7.927 2.138 -4.978 221 HG LEU 540 HG LEU 540 -8.123 -0.250 -6.805 222 HD11 LEU 540 HD11 LEU 540 -10.423 -0.327 -5.904 223 HD12 LEU 540 HD12 LEU 540 -9.985 0.957 -4.774 224 HD13 LEU 540 HD13 LEU 540 -9.178 -0.610 -4.689 225 HD21 LEU 540 HD21 LEU 540 -9.993 0.977 -7.859 226 HD22 LEU 540 HD22 LEU 540 -8.429 1.744 -8.130 227 HD23 LEU 540 HD23 LEU 540 -9.541 2.410 -6.935 228 H GLY 541 HN GLY 541 -4.277 1.463 -5.057 229 HA2 GLY 541 HA2 GLY 541 -4.271 3.893 -3.513 230 HA3 GLY 541 HA1 GLY 541 -3.056 2.625 -3.466 231 H LEU 542 HN LEU 542 -2.448 2.625 -6.225 232 HA LEU 542 HA LEU 542 -0.240 4.232 -6.232 233 HB2 LEU 542 HB2 LEU 542 -1.779 3.079 -8.526 234 HB3 LEU 542 HB1 LEU 542 -0.272 3.938 -8.757 235 HG LEU 542 HG LEU 542 -0.561 1.474 -7.037 236 HD11 LEU 542 HD11 LEU 542 -1.017 0.952 -9.378 237 HD12 LEU 542 HD12 LEU 542 0.526 0.279 -8.858 238 HD13 LEU 542 HD13 LEU 542 0.489 1.737 -9.850 239 HD21 LEU 542 HD21 LEU 542 1.882 1.435 -7.166 240 HD22 LEU 542 HD22 LEU 542 1.294 2.913 -6.406 241 HD23 LEU 542 HD23 LEU 542 1.856 2.944 -8.078 242 HA PRO 543 HA PRO 543 -2.686 7.350 -9.305 243 HB2 PRO 543 HB2 PRO 543 -4.985 7.480 -7.359 244 HB3 PRO 543 HB3 PRO 543 -4.965 7.850 -9.098 245 HG2 PRO 543 HG2 PRO 543 -5.875 5.528 -8.330 246 HG3 PRO 543 HG3 PRO 543 -4.720 5.580 -9.677 247 HD2 PRO 543 HD2 PRO 543 -4.268 4.812 -6.822 248 HD3 PRO 543 HD3 PRO 543 -3.601 4.094 -8.301 249 H PHE 544 HN PHE 544 -2.923 7.554 -5.716 250 HA PHE 544 HA PHE 544 -1.930 10.309 -6.029 251 HB2 PHE 544 HB2 PHE 544 -3.534 9.094 -3.795 252 HB3 PHE 544 HB1 PHE 544 -2.777 10.680 -3.689 253 HD1 PHE 544 HD1 PHE 544 -5.410 8.701 -5.288 254 HD2 PHE 544 HD2 PHE 544 -3.635 12.551 -4.935 255 HE1 PHE 544 HE1 PHE 544 -7.356 9.696 -6.417 256 HE2 PHE 544 HE2 PHE 544 -5.579 13.554 -6.061 257 HZ PHE 544 HZ PHE 544 -7.440 12.125 -6.805 258 H GLY 545 HN GLY 545 -1.114 7.228 -4.790 259 HA2 GLY 545 HA2 GLY 545 1.473 8.307 -3.969 260 HA3 GLY 545 HA1 GLY 545 0.553 7.383 -2.787 261 H LYS 546 HN LYS 546 3.188 6.819 -3.970 262 HA LYS 546 HA LYS 546 2.746 4.591 -5.766 263 HB2 LYS 546 HB2 LYS 546 4.663 5.979 -6.212 264 HB3 LYS 546 HB3 LYS 546 5.267 5.749 -4.575 265 HG2 LYS 546 HG2 LYS 546 6.554 4.378 -6.044 266 HG3 LYS 546 HG3 LYS 546 5.521 3.323 -5.072 267 HD2 LYS 546 HD2 LYS 546 3.921 3.236 -6.968 268 HD3 LYS 546 HD3 LYS 546 5.064 4.171 -7.932 269 HE2 LYS 546 HE2 LYS 546 5.613 1.481 -6.683 270 HE3 LYS 546 HE3 LYS 546 5.225 1.761 -8.379 271 HZ1 LYS 546 HZ1 LYS 546 7.231 3.033 -8.630 272 HZ2 LYS 546 HZ2 LYS 546 7.616 1.521 -7.975 273 HZ3 LYS 546 HZ3 LYS 546 7.589 2.890 -6.979 274 H VAL 547 HN VAL 547 2.897 2.499 -5.309 275 HA VAL 547 HA VAL 547 2.886 1.657 -2.548 276 HB VAL 547 HB VAL 547 2.348 0.152 -5.114 277 HG11 VAL 547 HG11 VAL 547 1.459 -1.625 -3.680 278 HG12 VAL 547 HG12 VAL 547 1.998 -0.734 -2.257 279 HG13 VAL 547 HG13 VAL 547 3.181 -1.354 -3.407 280 HG21 VAL 547 HG21 VAL 547 0.005 0.221 -4.371 281 HG22 VAL 547 HG22 VAL 547 0.667 1.831 -4.648 282 HG23 VAL 547 HG23 VAL 547 0.483 1.226 -3.002 283 H THR 548 HN THR 548 4.434 0.494 -1.589 284 HA THR 548 HA THR 548 6.832 -0.220 -3.132 285 HB THR 548 HB THR 548 7.845 -0.457 -0.827 286 HG1 THR 548 HG1 THR 548 6.592 -0.137 0.863 287 HG21 THR 548 HG21 THR 548 8.159 1.571 -2.180 288 HG22 THR 548 HG22 THR 548 8.080 1.928 -0.454 289 HG23 THR 548 HG23 THR 548 6.685 2.247 -1.486 290 H ASN 549 HN ASN 549 4.508 -1.526 -0.809 291 HA ASN 549 HA ASN 549 5.072 -4.239 -1.705 292 HB2 ASN 549 HB2 ASN 549 5.275 -3.386 1.195 293 HB3 ASN 549 HB3 ASN 549 5.201 -5.059 0.659 294 HD21 ASN 549 HD21 ASN 549 7.179 -2.301 1.129 295 HD22 ASN 549 HD22 ASN 549 8.665 -3.017 0.606 296 H TYR 550 HN TYR 550 3.374 -5.778 -0.803 297 HA TYR 550 HA TYR 550 1.014 -4.432 0.255 298 HB2 TYR 550 HB2 TYR 550 -0.495 -5.241 -1.404 299 HB3 TYR 550 HB3 TYR 550 0.828 -4.470 -2.269 300 HD1 TYR 550 HD1 TYR 550 -1.177 -7.366 -2.047 301 HD2 TYR 550 HD2 TYR 550 2.739 -6.073 -3.071 302 HE1 TYR 550 HE1 TYR 550 -0.850 -9.422 -3.355 303 HE2 TYR 550 HE2 TYR 550 3.078 -8.120 -4.390 304 HH TYR 550 HH TYR 550 2.261 -10.280 -4.701 305 H ILE 551 HN ILE 551 -0.365 -5.755 1.403 306 HA ILE 551 HA ILE 551 0.231 -8.622 1.489 307 HB ILE 551 HB ILE 551 0.002 -6.817 3.908 308 HG12 ILE 551 HG12 ILE 551 2.073 -8.814 2.968 309 HG13 ILE 551 HG13 ILE 551 2.258 -7.067 3.070 310 HG21 ILE 551 HG21 ILE 551 -0.072 -8.830 5.294 311 HG22 ILE 551 HG22 ILE 551 -0.167 -9.828 3.845 312 HG23 ILE 551 HG23 ILE 551 -1.482 -8.723 4.241 313 HD11 ILE 551 HD11 ILE 551 3.428 -8.150 4.880 314 HD12 ILE 551 HD12 ILE 551 1.950 -8.968 5.383 315 HD13 ILE 551 HD13 ILE 551 2.075 -7.215 5.517 316 H LEU 552 HN LEU 552 -1.545 -9.753 1.181 317 HA LEU 552 HA LEU 552 -4.119 -8.356 1.407 318 HB2 LEU 552 HB2 LEU 552 -3.224 -10.669 -0.302 319 HB3 LEU 552 HB1 LEU 552 -4.897 -10.165 -0.177 320 HG LEU 552 HG LEU 552 -2.697 -8.327 -1.108 321 HD11 LEU 552 HD11 LEU 552 -4.647 -9.910 -2.783 322 HD12 LEU 552 HD12 LEU 552 -2.929 -10.272 -2.624 323 HD13 LEU 552 HD13 LEU 552 -3.445 -8.761 -3.375 324 HD21 LEU 552 HD21 LEU 552 -4.640 -7.192 -0.268 325 HD22 LEU 552 HD22 LEU 552 -5.699 -8.203 -1.252 326 HD23 LEU 552 HD23 LEU 552 -4.596 -7.062 -2.025 327 H MET 553 HN MET 553 -5.129 -8.825 3.260 328 HA MET 553 HA MET 553 -5.165 -11.639 4.122 329 HB2 MET 553 HB2 MET 553 -5.857 -9.126 5.664 330 HB3 MET 553 HB3 MET 553 -5.979 -10.762 6.296 331 HG2 MET 553 HG2 MET 553 -3.435 -9.435 5.384 332 HG3 MET 553 HG3 MET 553 -3.958 -9.603 7.059 333 HE1 MET 553 HE1 MET 553 -0.966 -12.109 6.843 334 HE2 MET 553 HE2 MET 553 -1.651 -10.721 7.690 335 HE3 MET 553 HE3 MET 553 -1.107 -10.556 6.021 336 H LYS 554 HN LYS 554 -6.696 -12.239 2.571 337 HA LYS 554 HA LYS 554 -9.134 -10.848 2.162 338 HB2 LYS 554 HB2 LYS 554 -8.291 -13.658 1.450 339 HB3 LYS 554 HB3 LYS 554 -9.801 -12.926 0.931 340 HG2 LYS 554 HG2 LYS 554 -7.091 -11.778 0.295 341 HG3 LYS 554 HG3 LYS 554 -7.961 -12.892 -0.762 342 HD2 LYS 554 HD2 LYS 554 -9.848 -11.282 -0.823 343 HD3 LYS 554 HD3 LYS 554 -8.878 -10.161 0.134 344 HE2 LYS 554 HE2 LYS 554 -8.774 -9.615 -2.247 345 HE3 LYS 554 HE3 LYS 554 -7.195 -10.092 -1.629 346 HZ1 LYS 554 HZ1 LYS 554 -7.698 -11.089 -3.792 347 HZ2 LYS 554 HZ2 LYS 554 -9.039 -11.875 -3.127 348 HZ3 LYS 554 HZ3 LYS 554 -7.484 -12.265 -2.596 349 H SER 555 HN SER 555 -8.112 -13.397 4.298 350 HA SER 555 HA SER 555 -10.598 -14.390 5.106 351 HB2 SER 555 HB2 SER 555 -9.380 -15.140 7.144 352 HB3 SER 555 HB3 SER 555 -8.524 -15.533 5.654 353 HG SER 555 HG SER 555 -7.588 -14.207 7.707 354 H THR 556 HN THR 556 -8.844 -11.516 6.064 355 HA THR 556 HA THR 556 -10.869 -10.905 8.086 356 HB THR 556 HB THR 556 -9.400 -9.005 8.696 357 HG1 THR 556 HG1 THR 556 -8.289 -9.537 6.325 358 HG21 THR 556 HG21 THR 556 -7.588 -10.340 9.666 359 HG22 THR 556 HG22 THR 556 -8.000 -11.680 8.594 360 HG23 THR 556 HG23 THR 556 -9.143 -11.156 9.830 361 H ASN 557 HN ASN 557 -10.794 -10.690 4.951 362 HA ASN 557 HA ASN 557 -11.786 -9.431 3.335 363 HB2 ASN 557 HB2 ASN 557 -13.284 -8.234 5.665 364 HB3 ASN 557 HB3 ASN 557 -13.789 -8.189 3.983 365 HD21 ASN 557 HD21 ASN 557 -12.887 -10.948 3.548 366 HD22 ASN 557 HD22 ASN 557 -14.087 -11.955 4.273 367 H GLN 558 HN GLN 558 -9.337 -8.421 4.210 368 HA GLN 558 HA GLN 558 -9.673 -5.592 3.656 369 HB2 GLN 558 HB2 GLN 558 -8.406 -6.622 6.196 370 HB3 GLN 558 HB3 GLN 558 -8.127 -5.001 5.577 371 HG2 GLN 558 HG2 GLN 558 -10.547 -4.566 5.708 372 HG3 GLN 558 HG3 GLN 558 -10.776 -6.165 6.418 373 HE21 GLN 558 HE21 GLN 558 -8.283 -5.995 7.957 374 HE22 GLN 558 HE22 GLN 558 -8.604 -4.900 9.254 375 H ALA 559 HN ALA 559 -7.593 -4.530 3.239 376 HA ALA 559 HA ALA 559 -5.437 -6.384 2.517 377 HB1 ALA 559 HB1 ALA 559 -6.571 -4.292 0.662 378 HB2 ALA 559 HB2 ALA 559 -6.793 -6.035 0.503 379 HB3 ALA 559 HB3 ALA 559 -5.182 -5.331 0.335 380 H PHE 560 HN PHE 560 -3.393 -5.519 2.636 381 HA PHE 560 HA PHE 560 -3.240 -2.771 3.668 382 HB2 PHE 560 HB2 PHE 560 -1.367 -5.085 4.207 383 HB3 PHE 560 HB1 PHE 560 -1.202 -3.455 4.851 384 HD1 PHE 560 HD1 PHE 560 -2.851 -6.654 5.185 385 HD2 PHE 560 HD2 PHE 560 -2.844 -2.602 6.484 386 HE1 PHE 560 HE1 PHE 560 -4.253 -7.273 7.106 387 HE2 PHE 560 HE2 PHE 560 -4.246 -3.216 8.411 388 HZ PHE 560 HZ PHE 560 -4.953 -5.555 8.722 389 H LEU 561 HN LEU 561 -2.133 -1.355 2.525 390 HA LEU 561 HA LEU 561 -0.387 -2.332 0.362 391 HB2 LEU 561 HB2 LEU 561 -2.745 -1.493 -0.251 392 HB3 LEU 561 HB1 LEU 561 -2.154 0.097 0.179 393 HG LEU 561 HG LEU 561 -0.453 -0.050 -1.581 394 HD11 LEU 561 HD11 LEU 561 -0.120 -2.462 -1.598 395 HD12 LEU 561 HD12 LEU 561 -0.547 -1.882 -3.207 396 HD13 LEU 561 HD13 LEU 561 -1.755 -2.697 -2.213 397 HD21 LEU 561 HD21 LEU 561 -2.706 0.884 -2.027 398 HD22 LEU 561 HD22 LEU 561 -3.211 -0.702 -2.611 399 HD23 LEU 561 HD23 LEU 561 -1.945 0.188 -3.456 400 H GLU 562 HN GLU 562 1.617 -1.396 0.360 401 HA GLU 562 HA GLU 562 2.074 0.622 2.444 402 HB2 GLU 562 HB2 GLU 562 3.342 -1.566 2.450 403 HB3 GLU 562 HB3 GLU 562 4.145 -1.004 0.987 404 HG2 GLU 562 HG2 GLU 562 5.008 0.932 2.203 405 HG3 GLU 562 HG3 GLU 562 4.229 0.350 3.674 406 H MET 563 HN MET 563 3.054 2.545 2.054 407 HA MET 563 HA MET 563 3.324 3.269 -0.791 408 HB2 MET 563 HB2 MET 563 2.657 5.122 1.493 409 HB3 MET 563 HB3 MET 563 2.568 5.474 -0.228 410 HG2 MET 563 HG2 MET 563 0.813 3.639 1.370 411 HG3 MET 563 HG3 MET 563 0.360 5.132 0.554 412 HE1 MET 563 HE1 MET 563 -1.520 2.249 -1.352 413 HE2 MET 563 HE2 MET 563 -1.695 3.672 -0.322 414 HE3 MET 563 HE3 MET 563 -1.047 2.169 0.345 415 H ALA 564 HN ALA 564 5.091 4.297 -1.467 416 HA ALA 564 HA ALA 564 7.498 3.977 -0.027 417 HB1 ALA 564 HB1 ALA 564 7.350 3.914 -2.482 418 HB2 ALA 564 HB2 ALA 564 8.563 5.064 -1.918 419 HB3 ALA 564 HB3 ALA 564 6.999 5.643 -2.492 420 H TYR 565 HN TYR 565 5.310 6.647 -0.348 421 HA TYR 565 HA TYR 565 7.193 8.336 1.152 422 HB2 TYR 565 HB2 TYR 565 5.110 9.287 -0.827 423 HB3 TYR 565 HB3 TYR 565 6.287 10.286 0.013 424 HD1 TYR 565 HD1 TYR 565 5.756 7.904 -2.708 425 HD2 TYR 565 HD2 TYR 565 8.612 10.332 -0.703 426 HE1 TYR 565 HE1 TYR 565 7.311 7.614 -4.586 427 HE2 TYR 565 HE2 TYR 565 10.177 10.050 -2.578 428 HH TYR 565 HH TYR 565 9.268 8.928 -5.564 429 H THR 566 HN THR 566 6.385 9.409 2.910 430 HA THR 566 HA THR 566 3.968 8.527 4.075 431 HB THR 566 HB THR 566 5.764 9.355 5.489 432 HG1 THR 566 HG1 THR 566 4.459 10.965 6.699 433 HG21 THR 566 HG21 THR 566 6.733 11.062 4.095 434 HG22 THR 566 HG22 THR 566 6.247 11.788 5.625 435 HG23 THR 566 HG23 THR 566 5.262 12.027 4.182 436 H GLU 567 HN GLU 567 4.833 11.330 2.139 437 HA GLU 567 HA GLU 567 2.363 12.678 2.293 438 HB2 GLU 567 HB2 GLU 567 4.319 12.680 0.004 439 HB3 GLU 567 HB3 GLU 567 3.111 13.908 0.352 440 HG2 GLU 567 HG2 GLU 567 4.285 14.376 2.483 441 HG3 GLU 567 HG3 GLU 567 5.543 13.248 1.990 442 H ALA 568 HN ALA 568 3.587 10.172 0.199 443 HA ALA 568 HA ALA 568 1.501 10.136 -1.677 444 HB1 ALA 568 HB1 ALA 568 3.342 7.937 -0.736 445 HB2 ALA 568 HB2 ALA 568 3.590 9.010 -2.113 446 HB3 ALA 568 HB3 ALA 568 2.289 7.823 -2.142 447 H ALA 569 HN ALA 569 1.990 8.391 1.359 448 HA ALA 569 HA ALA 569 -0.362 6.828 1.190 449 HB1 ALA 569 HB1 ALA 569 1.610 6.316 2.622 450 HB2 ALA 569 HB2 ALA 569 0.068 6.228 3.467 451 HB3 ALA 569 HB3 ALA 569 1.117 7.629 3.691 452 H GLN 570 HN GLN 570 0.362 9.880 2.860 453 HA GLN 570 HA GLN 570 -2.166 10.061 4.127 454 HB2 GLN 570 HB2 GLN 570 -0.146 12.218 3.502 455 HB3 GLN 570 HB3 GLN 570 -1.538 12.423 4.553 456 HG2 GLN 570 HG2 GLN 570 -0.638 10.652 6.022 457 HG3 GLN 570 HG3 GLN 570 0.796 10.581 4.998 458 HE21 GLN 570 HE21 GLN 570 2.204 11.230 6.578 459 HE22 GLN 570 HE22 GLN 570 2.224 12.834 7.222 460 H ALA 571 HN ALA 571 -0.866 11.488 1.144 461 HA ALA 571 HA ALA 571 -3.000 13.259 0.675 462 HB1 ALA 571 HB1 ALA 571 -0.829 13.500 -0.410 463 HB2 ALA 571 HB2 ALA 571 -2.135 13.445 -1.595 464 HB3 ALA 571 HB3 ALA 571 -1.120 12.026 -1.332 465 H MET 572 HN MET 572 -2.432 9.941 -0.426 466 HA MET 572 HA MET 572 -4.659 9.863 -2.160 467 HB2 MET 572 HB2 MET 572 -4.274 7.554 -2.392 468 HB3 MET 572 HB3 MET 572 -2.687 8.257 -2.142 469 HG2 MET 572 HG2 MET 572 -2.592 7.452 0.094 470 HG3 MET 572 HG3 MET 572 -4.290 6.973 0.053 471 HE1 MET 572 HE1 MET 572 -0.923 4.947 -2.339 472 HE2 MET 572 HE2 MET 572 -0.679 6.283 -1.213 473 HE3 MET 572 HE3 MET 572 -1.547 6.551 -2.724 474 H VAL 573 HN VAL 573 -4.223 8.920 1.217 475 HA VAL 573 HA VAL 573 -6.796 7.800 1.502 476 HB VAL 573 HB VAL 573 -4.901 8.818 3.616 477 HG11 VAL 573 HG11 VAL 573 -7.036 8.815 4.620 478 HG12 VAL 573 HG12 VAL 573 -6.313 7.272 5.077 479 HG13 VAL 573 HG13 VAL 573 -7.510 7.338 3.787 480 HG21 VAL 573 HG21 VAL 573 -4.412 6.428 3.914 481 HG22 VAL 573 HG22 VAL 573 -4.026 6.973 2.280 482 HG23 VAL 573 HG23 VAL 573 -5.499 6.047 2.578 483 H GLN 574 HN GLN 574 -5.539 11.061 2.040 484 HA GLN 574 HA GLN 574 -7.789 12.113 3.329 485 HB2 GLN 574 HB2 GLN 574 -5.850 13.442 1.428 486 HB3 GLN 574 HB3 GLN 574 -7.071 14.314 2.344 487 HG2 GLN 574 HG2 GLN 574 -4.803 12.705 3.491 488 HG3 GLN 574 HG3 GLN 574 -4.904 14.463 3.413 489 HE21 GLN 574 HE21 GLN 574 -6.333 15.546 4.768 490 HE22 GLN 574 HE22 GLN 574 -7.005 14.795 6.175 491 H TYR 575 HN TYR 575 -7.059 11.661 -0.083 492 HA TYR 575 HA TYR 575 -9.527 12.680 -1.038 493 HB2 TYR 575 HB2 TYR 575 -7.544 12.430 -2.485 494 HB3 TYR 575 HB3 TYR 575 -7.676 10.680 -2.340 495 HD1 TYR 575 HD1 TYR 575 -9.687 13.644 -3.382 496 HD2 TYR 575 HD2 TYR 575 -8.864 9.513 -3.948 497 HE1 TYR 575 HE1 TYR 575 -11.229 13.605 -5.296 498 HE2 TYR 575 HE2 TYR 575 -10.396 9.462 -5.863 499 HH TYR 575 HH TYR 575 -12.300 10.693 -6.728 500 H TYR 576 HN TYR 576 -8.419 9.380 -0.283 501 HA TYR 576 HA TYR 576 -10.832 8.204 -1.253 502 HB2 TYR 576 HB2 TYR 576 -8.682 6.972 0.465 503 HB3 TYR 576 HB3 TYR 576 -9.955 6.096 -0.380 504 HD1 TYR 576 HD1 TYR 576 -6.794 6.023 -0.574 505 HD2 TYR 576 HD2 TYR 576 -9.889 7.699 -2.958 506 HE1 TYR 576 HE1 TYR 576 -5.344 5.879 -2.545 507 HE2 TYR 576 HE2 TYR 576 -8.447 7.562 -4.938 508 HH TYR 576 HH TYR 576 -5.623 5.748 -5.033 509 H GLN 577 HN GLN 577 -9.993 9.540 1.819 510 HA GLN 577 HA GLN 577 -12.022 8.111 3.242 511 HB2 GLN 577 HB2 GLN 577 -10.401 10.568 3.863 512 HB3 GLN 577 HB3 GLN 577 -11.711 10.047 4.919 513 HG2 GLN 577 HG2 GLN 577 -9.279 8.448 4.158 514 HG3 GLN 577 HG3 GLN 577 -9.555 9.259 5.698 515 HE21 GLN 577 HE21 GLN 577 -10.371 6.569 3.688 516 HE22 GLN 577 HE22 GLN 577 -11.238 5.676 4.881 517 H GLU 578 HN GLU 578 -11.931 10.968 1.272 518 HA GLU 578 HA GLU 578 -14.681 11.622 2.028 519 HB2 GLU 578 HB2 GLU 578 -12.714 13.156 0.320 520 HB3 GLU 578 HB3 GLU 578 -14.340 13.696 0.720 521 HG2 GLU 578 HG2 GLU 578 -13.711 13.630 3.117 522 HG3 GLU 578 HG3 GLU 578 -12.062 13.246 2.633 523 H LYS 579 HN LYS 579 -12.712 10.748 -0.765 524 HA LYS 579 HA LYS 579 -15.181 9.873 -2.122 525 HB2 LYS 579 HB2 LYS 579 -12.793 11.236 -3.380 526 HB3 LYS 579 HB3 LYS 579 -14.076 10.452 -4.290 527 HG2 LYS 579 HG2 LYS 579 -15.699 12.021 -3.367 528 HG3 LYS 579 HG3 LYS 579 -14.416 12.803 -2.440 529 HD2 LYS 579 HD2 LYS 579 -14.863 14.084 -4.436 530 HD3 LYS 579 HD3 LYS 579 -13.266 13.349 -4.558 531 HE2 LYS 579 HE2 LYS 579 -14.220 11.561 -5.950 532 HE3 LYS 579 HE3 LYS 579 -15.798 12.341 -5.852 533 HZ1 LYS 579 HZ1 LYS 579 -14.651 12.893 -7.910 534 HZ2 LYS 579 HZ2 LYS 579 -13.354 13.540 -7.040 535 HZ3 LYS 579 HZ3 LYS 579 -14.873 14.274 -6.960 536 HA PRO 580 HA PRO 580 -12.245 6.383 -1.516 537 HB2 PRO 580 HB2 PRO 580 -14.710 4.851 -1.093 538 HB3 PRO 580 HB3 PRO 580 -13.330 5.082 -0.010 539 HG2 PRO 580 HG2 PRO 580 -15.713 6.216 0.504 540 HG3 PRO 580 HG3 PRO 580 -14.188 7.049 0.882 541 HD2 PRO 580 HD2 PRO 580 -15.989 7.406 -1.496 542 HD3 PRO 580 HD3 PRO 580 -15.256 8.640 -0.443 543 H ALA 581 HN ALA 581 -12.013 4.347 -2.673 544 HA ALA 581 HA ALA 581 -12.986 4.673 -5.406 545 HB1 ALA 581 HB1 ALA 581 -10.831 2.866 -4.309 546 HB2 ALA 581 HB2 ALA 581 -10.574 4.440 -5.063 547 HB3 ALA 581 HB3 ALA 581 -11.216 3.101 -6.013 548 H ILE 582 HN ILE 582 -13.760 2.800 -6.611 549 HA ILE 582 HA ILE 582 -15.328 1.063 -4.819 550 HB ILE 582 HB ILE 582 -16.221 2.339 -7.409 551 HG12 ILE 582 HG12 ILE 582 -17.047 2.844 -4.545 552 HG13 ILE 582 HG13 ILE 582 -16.087 3.921 -5.541 553 HG21 ILE 582 HG21 ILE 582 -17.208 0.133 -7.122 554 HG22 ILE 582 HG22 ILE 582 -18.422 1.393 -6.901 555 HG23 ILE 582 HG23 ILE 582 -17.740 0.570 -5.497 556 HD11 ILE 582 HD11 ILE 582 -18.940 3.132 -6.062 557 HD12 ILE 582 HD12 ILE 582 -17.976 4.246 -7.032 558 HD13 ILE 582 HD13 ILE 582 -18.396 4.660 -5.368 559 H ILE 583 HN ILE 583 -15.184 -1.051 -5.147 560 HA ILE 583 HA ILE 583 -14.373 -1.994 -7.824 561 HB ILE 583 HB ILE 583 -13.710 -3.231 -5.147 562 HG12 ILE 583 HG12 ILE 583 -11.998 -2.103 -7.368 563 HG13 ILE 583 HG13 ILE 583 -12.181 -1.462 -5.738 564 HG21 ILE 583 HG21 ILE 583 -14.350 -4.986 -6.705 565 HG22 ILE 583 HG22 ILE 583 -12.612 -5.030 -6.402 566 HG23 ILE 583 HG23 ILE 583 -13.228 -4.349 -7.907 567 HD11 ILE 583 HD11 ILE 583 -10.847 -4.034 -6.541 568 HD12 ILE 583 HD12 ILE 583 -11.159 -3.563 -4.875 569 HD13 ILE 583 HD13 ILE 583 -10.081 -2.590 -5.877 570 H ASN 584 HN ASN 584 -15.942 -3.033 -8.840 571 HA ASN 584 HA ASN 584 -17.753 -4.328 -9.296 572 HB2 ASN 584 HB2 ASN 584 -16.929 -5.641 -6.704 573 HB3 ASN 584 HB3 ASN 584 -18.253 -6.230 -7.696 574 HD21 ASN 584 HD21 ASN 584 -15.313 -4.884 -9.040 575 HD22 ASN 584 HD22 ASN 584 -14.708 -6.371 -9.675 576 H GLY 585 HN GLY 585 -18.157 -1.841 -7.963 577 HA2 GLY 585 HA2 GLY 585 -20.087 -0.718 -7.339 578 HA3 GLY 585 HA1 GLY 585 -20.888 -2.267 -7.130 579 H GLU 586 HN GLU 586 -18.011 -2.393 -5.488 580 HA GLU 586 HA GLU 586 -19.356 -1.726 -2.967 581 HB2 GLU 586 HB2 GLU 586 -16.816 -3.303 -3.435 582 HB3 GLU 586 HB3 GLU 586 -17.631 -3.086 -1.891 583 HG2 GLU 586 HG2 GLU 586 -18.737 -4.528 -4.287 584 HG3 GLU 586 HG3 GLU 586 -18.081 -5.279 -2.832 585 H LYS 587 HN LYS 587 -18.787 0.057 -1.908 586 HA LYS 587 HA LYS 587 -16.615 1.673 -2.882 587 HB2 LYS 587 HB2 LYS 587 -18.457 2.069 -0.519 588 HB3 LYS 587 HB3 LYS 587 -17.295 3.253 -1.100 589 HG2 LYS 587 HG2 LYS 587 -18.506 3.257 -3.285 590 HG3 LYS 587 HG3 LYS 587 -19.736 2.236 -2.533 591 HD2 LYS 587 HD2 LYS 587 -20.110 3.970 -0.827 592 HD3 LYS 587 HD3 LYS 587 -18.909 4.991 -1.615 593 HE2 LYS 587 HE2 LYS 587 -21.065 5.733 -2.309 594 HE3 LYS 587 HE3 LYS 587 -20.310 4.919 -3.677 595 HZ1 LYS 587 HZ1 LYS 587 -22.616 4.271 -3.440 596 HZ2 LYS 587 HZ2 LYS 587 -22.340 3.739 -1.860 597 HZ3 LYS 587 HZ3 LYS 587 -21.609 2.943 -3.159 598 H LEU 588 HN LEU 588 -14.611 1.239 -2.354 599 HA LEU 588 HA LEU 588 -13.990 -0.198 0.086 600 HB2 LEU 588 HB2 LEU 588 -12.085 0.977 -1.921 601 HB3 LEU 588 HB1 LEU 588 -11.726 -0.222 -0.702 602 HG LEU 588 HG LEU 588 -13.279 -0.571 -3.241 603 HD11 LEU 588 HD11 LEU 588 -11.535 -2.343 -3.516 604 HD12 LEU 588 HD12 LEU 588 -10.751 -1.695 -2.074 605 HD13 LEU 588 HD13 LEU 588 -10.932 -0.689 -3.509 606 HD21 LEU 588 HD21 LEU 588 -14.524 -1.753 -1.545 607 HD22 LEU 588 HD22 LEU 588 -13.047 -2.468 -0.905 608 HD23 LEU 588 HD23 LEU 588 -13.619 -2.918 -2.513 609 H LEU 589 HN LEU 589 -13.647 0.856 1.922 610 HA LEU 589 HA LEU 589 -12.966 3.661 1.828 611 HB2 LEU 589 HB2 LEU 589 -14.537 2.640 3.526 612 HB3 LEU 589 HB1 LEU 589 -13.141 1.857 4.242 613 HG LEU 589 HG LEU 589 -12.162 4.052 4.749 614 HD11 LEU 589 HD11 LEU 589 -13.121 5.341 2.920 615 HD12 LEU 589 HD12 LEU 589 -13.521 6.079 4.470 616 HD13 LEU 589 HD13 LEU 589 -14.734 5.139 3.603 617 HD21 LEU 589 HD21 LEU 589 -13.538 2.979 6.423 618 HD22 LEU 589 HD22 LEU 589 -14.992 3.678 5.711 619 HD23 LEU 589 HD23 LEU 589 -13.789 4.723 6.464 620 H ILE 590 HN ILE 590 -10.955 4.064 1.241 621 HA ILE 590 HA ILE 590 -8.769 2.330 2.135 622 HB ILE 590 HB ILE 590 -8.648 4.728 0.286 623 HG12 ILE 590 HG12 ILE 590 -8.887 1.801 -0.425 624 HG13 ILE 590 HG13 ILE 590 -10.082 3.050 -0.712 625 HG21 ILE 590 HG21 ILE 590 -6.677 2.510 0.798 626 HG22 ILE 590 HG22 ILE 590 -6.512 4.198 1.278 627 HG23 ILE 590 HG23 ILE 590 -6.501 3.762 -0.431 628 HD11 ILE 590 HD11 ILE 590 -8.560 4.161 -2.278 629 HD12 ILE 590 HD12 ILE 590 -8.894 2.495 -2.760 630 HD13 ILE 590 HD13 ILE 590 -7.359 2.902 -1.993 631 H ARG 591 HN ARG 591 -7.721 2.859 3.973 632 HA ARG 591 HA ARG 591 -7.553 5.678 4.719 633 HB2 ARG 591 HB2 ARG 591 -8.339 5.061 7.071 634 HB3 ARG 591 HB3 ARG 591 -9.545 5.251 5.810 635 HG2 ARG 591 HG2 ARG 591 -9.586 2.787 5.552 636 HG3 ARG 591 HG3 ARG 591 -8.482 2.668 6.928 637 HD2 ARG 591 HD2 ARG 591 -10.096 3.738 8.370 638 HD3 ARG 591 HD3 ARG 591 -11.177 4.021 7.008 639 HE ARG 591 HE ARG 591 -10.634 1.253 7.290 640 HH11 ARG 591 HH11 ARG 591 -12.470 3.863 8.730 641 HH12 ARG 591 HH12 ARG 591 -13.709 2.816 9.347 642 HH21 ARG 591 HH21 ARG 591 -12.263 -0.124 8.123 643 HH22 ARG 591 HH22 ARG 591 -13.578 0.557 9.021 644 H MET 592 HN MET 592 -6.268 6.142 6.586 645 HA MET 592 HA MET 592 -3.687 5.040 6.264 646 HB2 MET 592 HB2 MET 592 -4.737 6.844 8.457 647 HB3 MET 592 HB3 MET 592 -3.047 6.569 8.079 648 HG2 MET 592 HG2 MET 592 -4.663 7.548 5.830 649 HG3 MET 592 HG3 MET 592 -4.523 8.653 7.192 650 HE1 MET 592 HE1 MET 592 -2.402 6.431 4.670 651 HE2 MET 592 HE2 MET 592 -1.774 6.022 6.266 652 HE3 MET 592 HE3 MET 592 -0.770 6.919 5.127 653 H SER 593 HN SER 593 -2.659 3.442 7.327 654 HA SER 593 HA SER 593 -4.043 2.057 9.467 655 HB2 SER 593 HB2 SER 593 -1.365 1.446 8.199 656 HB3 SER 593 HB3 SER 593 -2.290 0.380 9.258 657 HG SER 593 HG SER 593 -2.492 0.719 6.609 658 H THR 594 HN THR 594 -3.679 2.408 11.565 659 HA THR 594 HA THR 594 -1.210 3.760 12.361 660 HB THR 594 HB THR 594 -2.344 3.739 14.663 661 HG1 THR 594 HG1 THR 594 -4.797 3.560 13.359 662 HG21 THR 594 HG21 THR 594 -2.175 5.751 13.287 663 HG22 THR 594 HG22 THR 594 -3.730 5.690 14.116 664 HG23 THR 594 HG23 THR 594 -3.627 5.281 12.404 665 H ARG 595 HN ARG 595 -2.646 0.688 12.186 666 HA ARG 595 HA ARG 595 -1.183 -0.525 14.343 667 HB2 ARG 595 HB2 ARG 595 -2.766 -1.705 12.059 668 HB3 ARG 595 HB3 ARG 595 -2.015 -2.663 13.324 669 HG2 ARG 595 HG2 ARG 595 -3.423 -1.651 14.991 670 HG3 ARG 595 HG3 ARG 595 -4.108 -0.550 13.793 671 HD2 ARG 595 HD2 ARG 595 -5.559 -2.508 14.315 672 HD3 ARG 595 HD3 ARG 595 -5.127 -2.368 12.611 673 HE ARG 595 HE ARG 595 -3.334 -4.063 14.063 674 HH11 ARG 595 HH11 ARG 595 -6.452 -3.967 12.466 675 HH12 ARG 595 HH12 ARG 595 -6.468 -5.664 12.115 676 HH21 ARG 595 HH21 ARG 595 -3.338 -6.292 13.574 677 HH22 ARG 595 HH22 ARG 595 -4.699 -6.989 12.754 678 H TYR 596 HN TYR 596 -0.865 -0.361 10.814 679 HA TYR 596 HA TYR 596 1.702 -1.786 11.051 680 HB2 TYR 596 HB2 TYR 596 -0.134 -1.418 8.673 681 HB3 TYR 596 HB3 TYR 596 1.459 -2.150 8.576 682 HD1 TYR 596 HD1 TYR 596 1.582 -4.445 8.612 683 HD2 TYR 596 HD2 TYR 596 -1.739 -2.559 10.483 684 HE1 TYR 596 HE1 TYR 596 0.589 -6.648 9.059 685 HE2 TYR 596 HE2 TYR 596 -2.736 -4.759 10.945 686 HH TYR 596 HH TYR 596 -2.622 -7.064 10.011 687 H LYS 597 HN LYS 597 3.493 -0.631 10.769 688 HA LYS 597 HA LYS 597 3.388 1.887 9.301 689 HB2 LYS 597 HB2 LYS 597 5.536 0.585 10.964 690 HB3 LYS 597 HB3 LYS 597 5.847 1.998 9.967 691 HG2 LYS 597 HG2 LYS 597 3.852 1.836 12.218 692 HG3 LYS 597 HG3 LYS 597 5.437 2.608 12.290 693 HD2 LYS 597 HD2 LYS 597 4.727 4.151 10.493 694 HD3 LYS 597 HD3 LYS 597 3.126 3.413 10.521 695 HE2 LYS 597 HE2 LYS 597 3.105 5.464 11.800 696 HE3 LYS 597 HE3 LYS 597 2.881 4.086 12.876 697 HZ1 LYS 597 HZ1 LYS 597 5.187 4.235 13.522 698 HZ2 LYS 597 HZ2 LYS 597 4.439 5.731 13.765 699 HZ3 LYS 597 HZ3 LYS 597 5.453 5.504 12.435 700 H GLU 598 HN GLU 598 4.766 -1.333 9.154 701 HA GLU 598 HA GLU 598 5.513 -0.858 6.355 702 HB2 GLU 598 HB2 GLU 598 7.604 -2.037 6.657 703 HB3 GLU 598 HB3 GLU 598 7.531 -0.687 7.777 704 HG2 GLU 598 HG2 GLU 598 6.898 -3.531 8.528 705 HG3 GLU 598 HG3 GLU 598 8.481 -2.785 8.723 706 H LEU 599 HN LEU 599 5.275 -2.552 4.987 707 HA LEU 599 HA LEU 599 4.018 -4.980 6.041 708 HB2 LEU 599 HB2 LEU 599 4.431 -4.023 3.213 709 HB3 LEU 599 HB1 LEU 599 3.680 -5.545 3.656 710 HG LEU 599 HG LEU 599 2.612 -2.812 4.371 711 HD11 LEU 599 HD11 LEU 599 1.662 -4.833 2.357 712 HD12 LEU 599 HD12 LEU 599 2.427 -3.286 1.987 713 HD13 LEU 599 HD13 LEU 599 0.848 -3.326 2.778 714 HD21 LEU 599 HD21 LEU 599 1.397 -5.541 4.711 715 HD22 LEU 599 HD22 LEU 599 0.642 -4.003 5.110 716 HD23 LEU 599 HD23 LEU 599 2.054 -4.550 6.013 717 H GLN 600 HN GLN 600 5.474 -6.359 6.781 718 HA GLN 600 HA GLN 600 8.091 -6.533 5.543 719 HB2 GLN 600 HB2 GLN 600 6.923 -7.910 7.965 720 HB3 GLN 600 HB3 GLN 600 8.571 -8.138 7.396 721 HG2 GLN 600 HG2 GLN 600 9.034 -5.775 7.750 722 HG3 GLN 600 HG3 GLN 600 7.376 -5.526 8.290 723 HE21 GLN 600 HE21 GLN 600 9.198 -8.386 9.090 724 HE22 GLN 600 HE22 GLN 600 9.375 -8.042 10.769 725 H LEU 601 HN LEU 601 7.435 -7.381 3.524 726 HA LEU 601 HA LEU 601 6.068 -9.839 3.255 727 HB2 LEU 601 HB2 LEU 601 7.969 -8.450 1.368 728 HB3 LEU 601 HB1 LEU 601 7.010 -9.855 0.946 729 HG LEU 601 HG LEU 601 5.985 -7.104 1.637 730 HD11 LEU 601 HD11 LEU 601 5.851 -8.737 -0.893 731 HD12 LEU 601 HD12 LEU 601 6.878 -7.329 -0.619 732 HD13 LEU 601 HD13 LEU 601 5.124 -7.149 -0.648 733 HD21 LEU 601 HD21 LEU 601 4.450 -9.635 1.066 734 HD22 LEU 601 HD22 LEU 601 3.752 -8.019 1.180 735 HD23 LEU 601 HD23 LEU 601 4.497 -8.759 2.596 736 H LYS 602 HN LYS 602 6.885 -11.448 4.482 737 HA LYS 602 HA LYS 602 9.692 -12.133 4.300 738 HB2 LYS 602 HB2 LYS 602 9.035 -14.027 5.831 739 HB3 LYS 602 HB3 LYS 602 8.765 -12.414 6.467 740 HG2 LYS 602 HG2 LYS 602 6.863 -13.577 7.095 741 HG3 LYS 602 HG3 LYS 602 6.349 -12.714 5.648 742 HD2 LYS 602 HD2 LYS 602 6.693 -14.734 4.316 743 HD3 LYS 602 HD3 LYS 602 7.230 -15.597 5.757 744 HE2 LYS 602 HE2 LYS 602 5.007 -15.158 6.778 745 HE3 LYS 602 HE3 LYS 602 4.493 -14.437 5.254 746 HZ1 LYS 602 HZ1 LYS 602 4.992 -16.594 4.179 747 HZ2 LYS 602 HZ2 LYS 602 3.756 -16.691 5.327 748 HZ3 LYS 602 HZ3 LYS 602 5.304 -17.257 5.703 749 H LYS 603 HN LYS 603 6.910 -12.707 2.567 750 HA LYS 603 HA LYS 603 7.620 -15.304 1.543 751 HB2 LYS 603 HB2 LYS 603 5.673 -13.278 0.430 752 HB3 LYS 603 HB3 LYS 603 5.783 -14.972 -0.022 753 HG2 LYS 603 HG2 LYS 603 5.136 -15.588 2.280 754 HG3 LYS 603 HG3 LYS 603 4.934 -13.874 2.646 755 HD2 LYS 603 HD2 LYS 603 3.421 -15.449 0.565 756 HD3 LYS 603 HD3 LYS 603 2.789 -14.886 2.111 757 HE2 LYS 603 HE2 LYS 603 3.127 -12.570 1.409 758 HE3 LYS 603 HE3 LYS 603 3.779 -13.127 -0.130 759 HZ1 LYS 603 HZ1 LYS 603 1.014 -13.555 0.855 760 HZ2 LYS 603 HZ2 LYS 603 1.629 -14.169 -0.595 761 HZ3 LYS 603 HZ3 LYS 603 1.484 -12.497 -0.376 762 HA PRO 604 HA PRO 604 10.456 -13.634 -1.482 763 HB2 PRO 604 HB2 PRO 604 10.883 -15.936 -2.844 764 HB3 PRO 604 HB3 PRO 604 11.611 -15.616 -1.265 765 HG2 PRO 604 HG2 PRO 604 9.210 -17.263 -1.950 766 HG3 PRO 604 HG3 PRO 604 10.510 -17.604 -0.794 767 HD2 PRO 604 HD2 PRO 604 8.068 -16.644 -0.063 768 HD3 PRO 604 HD3 PRO 604 9.556 -16.316 0.846 769 H GLY 605 HN GLY 605 9.290 -12.287 -2.793 770 HA2 GLY 605 HA2 GLY 605 7.235 -13.345 -4.548 771 HA3 GLY 605 HA1 GLY 605 7.701 -11.659 -4.381 772 H LYS 606 HN LYS 606 9.215 -10.795 -5.709 773 HA LYS 606 HA LYS 606 10.412 -10.496 -7.600 774 HB2 LYS 606 HB2 LYS 606 11.327 -13.321 -7.043 775 HB3 LYS 606 HB3 LYS 606 12.109 -12.196 -8.147 776 HG2 LYS 606 HG2 LYS 606 11.776 -11.755 -5.186 777 HG3 LYS 606 HG3 LYS 606 13.243 -12.345 -5.970 778 HD2 LYS 606 HD2 LYS 606 13.517 -10.291 -7.158 779 HD3 LYS 606 HD3 LYS 606 11.933 -9.715 -6.640 780 HE2 LYS 606 HE2 LYS 606 13.840 -8.708 -5.398 781 HE3 LYS 606 HE3 LYS 606 12.662 -9.527 -4.376 782 HZ1 LYS 606 HZ1 LYS 606 14.106 -11.368 -4.125 783 HZ2 LYS 606 HZ2 LYS 606 15.031 -9.984 -3.829 784 HZ3 LYS 606 HZ3 LYS 606 15.174 -10.795 -5.305 785 H ASN 607 HN ASN 607 8.728 -10.262 -8.994 786 HA ASN 607 HA ASN 607 7.709 -12.607 -10.408 787 HB2 ASN 607 HB2 ASN 607 6.083 -10.972 -9.528 788 HB3 ASN 607 HB3 ASN 607 6.837 -9.703 -10.480 789 HD21 ASN 607 HD21 ASN 607 4.811 -12.525 -10.552 790 HD22 ASN 607 HD22 ASN 607 4.209 -12.291 -12.157 791 H VAL 608 HN VAL 608 7.493 -12.416 -12.828 792 HA VAL 608 HA VAL 608 9.843 -11.952 -14.191 793 HB VAL 608 HB VAL 608 7.067 -11.567 -15.339 794 HG11 VAL 608 HG11 VAL 608 8.081 -12.207 -17.461 795 HG12 VAL 608 HG12 VAL 608 9.656 -12.339 -16.679 796 HG13 VAL 608 HG13 VAL 608 8.861 -10.771 -16.799 797 HG21 VAL 608 HG21 VAL 608 7.202 -13.947 -15.961 798 HG22 VAL 608 HG22 VAL 608 7.204 -13.707 -14.214 799 HG23 VAL 608 HG23 VAL 608 8.708 -14.082 -15.053 800 H ALA 609 HN ALA 609 7.099 -9.739 -13.787 801 HA ALA 609 HA ALA 609 8.428 -7.478 -14.896 802 HB1 ALA 609 HB1 ALA 609 6.032 -7.606 -13.064 803 HB2 ALA 609 HB2 ALA 609 5.980 -7.629 -14.825 804 HB3 ALA 609 HB3 ALA 609 6.561 -6.195 -13.979 805 H ALA 610 HN ALA 610 10.110 -6.623 -14.000 806 HA ALA 610 HA ALA 610 11.327 -7.320 -11.675 807 HB1 ALA 610 HB1 ALA 610 11.549 -4.603 -12.947 808 HB2 ALA 610 HB2 ALA 610 12.381 -6.056 -13.504 809 HB3 ALA 610 HB3 ALA 610 12.737 -5.389 -11.909 810 H ILE 611 HN ILE 611 10.387 -7.341 -9.752 811 HA ILE 611 HA ILE 611 8.953 -5.086 -8.677 812 HB ILE 611 HB ILE 611 10.064 -7.514 -7.247 813 HG12 ILE 611 HG12 ILE 611 7.273 -6.969 -8.287 814 HG13 ILE 611 HG13 ILE 611 8.417 -8.116 -8.975 815 HG21 ILE 611 HG21 ILE 611 8.489 -6.925 -5.465 816 HG22 ILE 611 HG22 ILE 611 8.015 -5.483 -6.362 817 HG23 ILE 611 HG23 ILE 611 9.660 -5.636 -5.744 818 HD11 ILE 611 HD11 ILE 611 7.198 -8.273 -6.229 819 HD12 ILE 611 HD12 ILE 611 8.340 -9.425 -6.920 820 HD13 ILE 611 HD13 ILE 611 6.739 -9.236 -7.634 821 H ILE 612 HN ILE 612 10.235 -3.309 -8.588 822 HA ILE 612 HA ILE 612 13.018 -3.540 -7.893 823 HB ILE 612 HB ILE 612 11.418 -1.023 -8.320 824 HG12 ILE 612 HG12 ILE 612 12.957 -2.645 -10.362 825 HG13 ILE 612 HG13 ILE 612 11.203 -2.571 -10.248 826 HG21 ILE 612 HG21 ILE 612 14.368 -1.635 -8.531 827 HG22 ILE 612 HG22 ILE 612 13.586 -0.675 -7.275 828 HG23 ILE 612 HG23 ILE 612 13.622 -0.091 -8.938 829 HD11 ILE 612 HD11 ILE 612 11.341 -0.133 -10.670 830 HD12 ILE 612 HD12 ILE 612 11.921 -1.131 -12.001 831 HD13 ILE 612 HD13 ILE 612 13.075 -0.324 -10.938 832 H GLN 613 HN GLN 613 13.389 -3.957 -5.813 833 HA GLN 613 HA GLN 613 11.773 -2.764 -3.729 834 HB2 GLN 613 HB2 GLN 613 14.178 -4.584 -3.524 835 HB3 GLN 613 HB3 GLN 613 13.098 -4.150 -2.206 836 HG2 GLN 613 HG2 GLN 613 11.245 -5.242 -3.390 837 HG3 GLN 613 HG3 GLN 613 12.360 -5.715 -4.668 838 HE21 GLN 613 HE21 GLN 613 14.526 -6.224 -2.723 839 HE22 GLN 613 HE22 GLN 613 14.124 -7.735 -1.981 840 H ASP 614 HN ASP 614 14.652 -2.079 -5.399 841 HA ASP 614 HA ASP 614 15.808 -0.453 -3.308 842 HB2 ASP 614 HB2 ASP 614 16.521 -0.717 -6.239 843 HB3 ASP 614 HB3 ASP 614 17.430 0.235 -5.069 844 H ILE 615 HN ILE 615 15.129 0.534 -6.643 845 HA ILE 615 HA ILE 615 14.351 3.164 -5.793 846 HB ILE 615 HB ILE 615 14.138 1.899 -8.532 847 HG12 ILE 615 HG12 ILE 615 16.280 3.715 -7.402 848 HG13 ILE 615 HG13 ILE 615 16.455 1.979 -7.646 849 HG21 ILE 615 HG21 ILE 615 14.006 4.788 -7.677 850 HG22 ILE 615 HG22 ILE 615 12.670 3.817 -8.293 851 HG23 ILE 615 HG23 ILE 615 14.029 4.216 -9.344 852 HD11 ILE 615 HD11 ILE 615 16.161 2.290 -10.046 853 HD12 ILE 615 HD12 ILE 615 17.513 3.238 -9.430 854 HD13 ILE 615 HD13 ILE 615 15.980 4.026 -9.801 855 H HIS 616 HN HIS 616 12.437 3.428 -4.831 856 HA HIS 616 HA HIS 616 10.193 1.780 -5.699 857 HB2 HIS 616 HB2 HIS 616 10.677 3.439 -3.249 858 HB3 HIS 616 HB3 HIS 616 9.052 2.909 -3.676 859 HD1 HIS 616 HD1 HIS 616 9.165 0.096 -4.306 860 HD2 HIS 616 HD2 HIS 616 11.758 1.715 -1.486 861 HE1 HIS 616 HE1 HIS 616 9.879 -1.832 -2.857 862 HE2 HIS 616 HE2 HIS 616 11.387 -0.821 -1.109 863 H SER 617 HN SER 617 11.490 4.617 -6.570 864 HA SER 617 HA SER 617 9.045 6.108 -6.948 865 HB2 SER 617 HB2 SER 617 11.724 6.617 -8.253 866 HB3 SER 617 HB3 SER 617 10.430 7.775 -7.950 867 HG SER 617 HG SER 617 10.863 7.681 -5.767 868 H GLN 618 HN GLN 618 8.554 6.868 -9.249 869 HA GLN 618 HA GLN 618 7.994 6.499 -11.414 870 HB2 GLN 618 HB2 GLN 618 10.392 4.683 -11.274 871 HB3 GLN 618 HB3 GLN 618 9.555 5.080 -12.767 872 HG2 GLN 618 HG2 GLN 618 10.947 7.026 -10.941 873 HG3 GLN 618 HG3 GLN 618 11.571 6.413 -12.471 874 HE21 GLN 618 HE21 GLN 618 10.658 7.121 -14.400 875 HE22 GLN 618 HE22 GLN 618 9.680 8.544 -14.477 876 H ARG 619 HN ARG 619 7.821 4.391 -13.036 877 HA ARG 619 HA ARG 619 6.355 2.328 -11.525 878 HB2 ARG 619 HB2 ARG 619 5.701 3.456 -14.258 879 HB3 ARG 619 HB3 ARG 619 4.853 2.127 -13.483 880 HG2 ARG 619 HG2 ARG 619 5.008 4.932 -12.401 881 HG3 ARG 619 HG3 ARG 619 3.655 4.271 -13.321 882 HD2 ARG 619 HD2 ARG 619 3.264 2.604 -11.603 883 HD3 ARG 619 HD3 ARG 619 4.671 3.169 -10.704 884 HE ARG 619 HE ARG 619 3.491 5.107 -10.098 885 HH11 ARG 619 HH11 ARG 619 1.558 2.935 -12.052 886 HH12 ARG 619 HH12 ARG 619 0.052 3.652 -11.583 887 HH21 ARG 619 HH21 ARG 619 1.505 6.047 -9.468 888 HH22 ARG 619 HH22 ARG 619 0.021 5.425 -10.120 889 H GLU 620 HN GLU 620 8.220 1.046 -11.465 890 HA GLU 620 HA GLU 620 9.741 -0.483 -12.153 891 HB2 GLU 620 HB2 GLU 620 8.035 -0.548 -14.647 892 HB3 GLU 620 HB3 GLU 620 9.328 -1.684 -14.288 893 HG2 GLU 620 HG2 GLU 620 8.146 -2.517 -12.377 894 HG3 GLU 620 HG3 GLU 620 6.897 -1.287 -12.564 895 H ARG 621 HN ARG 621 11.181 -0.977 -14.287 896 HA ARG 621 HA ARG 621 12.727 1.403 -14.624 897 HB2 ARG 621 HB2 ARG 621 13.011 -1.289 -15.982 898 HB3 ARG 621 HB3 ARG 621 14.221 -0.013 -15.956 899 HG2 ARG 621 HG2 ARG 621 14.545 -0.266 -13.607 900 HG3 ARG 621 HG3 ARG 621 13.169 -1.362 -13.484 901 HD2 ARG 621 HD2 ARG 621 14.364 -2.964 -14.937 902 HD3 ARG 621 HD3 ARG 621 15.759 -1.886 -14.937 903 HE ARG 621 HE ARG 621 15.477 -2.226 -12.344 904 HH11 ARG 621 HH11 ARG 621 15.218 -4.619 -14.893 905 HH12 ARG 621 HH12 ARG 621 15.749 -5.930 -13.887 906 HH21 ARG 621 HH21 ARG 621 16.171 -3.949 -11.018 907 HH22 ARG 621 HH22 ARG 621 16.298 -5.546 -11.682 Start of MODEL 25 1 H1 GLY 510 HT1 GLY 510 16.580 -7.134 4.898 2 H2 GLY 510 HT2 GLY 510 15.751 -5.734 4.452 3 H3 GLY 510 HT3 GLY 510 16.330 -6.785 3.265 4 HA2 GLY 510 HA1 GLY 510 14.813 -8.500 3.968 5 HA3 GLY 510 HA2 GLY 510 14.236 -7.448 5.252 6 H ALA 511 HN ALA 511 12.456 -8.496 3.469 7 HA ALA 511 HA ALA 511 11.957 -6.667 1.303 8 HB1 ALA 511 HB1 ALA 511 9.926 -7.981 0.946 9 HB2 ALA 511 HB2 ALA 511 10.211 -8.842 2.458 10 HB3 ALA 511 HB3 ALA 511 11.337 -9.024 1.114 11 H MET 512 HN MET 512 11.747 -4.653 2.275 12 HA MET 512 HA MET 512 9.157 -4.110 3.427 13 HB2 MET 512 HB2 MET 512 10.012 -3.025 5.436 14 HB3 MET 512 HB3 MET 512 10.483 -4.718 5.408 15 HG2 MET 512 HG2 MET 512 12.698 -3.939 4.456 16 HG3 MET 512 HG3 MET 512 12.191 -2.307 4.889 17 HE1 MET 512 HE1 MET 512 13.194 -5.839 6.126 18 HE2 MET 512 HE2 MET 512 11.561 -5.731 6.781 19 HE3 MET 512 HE3 MET 512 12.947 -5.737 7.868 20 H ALA 513 HN ALA 513 9.040 -1.656 3.934 21 HA ALA 513 HA ALA 513 10.163 -0.334 1.579 22 HB1 ALA 513 HB1 ALA 513 8.382 1.257 1.790 23 HB2 ALA 513 HB2 ALA 513 7.922 0.597 3.362 24 HB3 ALA 513 HB3 ALA 513 7.711 -0.369 1.903 25 H GLN 514 HN GLN 514 9.258 2.201 3.176 26 HA GLN 514 HA GLN 514 10.251 3.912 4.272 27 HB2 GLN 514 HB2 GLN 514 12.007 1.774 5.483 28 HB3 GLN 514 HB3 GLN 514 11.950 3.452 6.001 29 HG2 GLN 514 HG2 GLN 514 9.600 3.175 6.619 30 HG3 GLN 514 HG3 GLN 514 9.677 1.484 6.122 31 HE21 GLN 514 HE21 GLN 514 12.361 1.091 7.131 32 HE22 GLN 514 HE22 GLN 514 12.228 1.023 8.852 33 H ARG 515 HN ARG 515 11.468 2.338 1.839 34 HA ARG 515 HA ARG 515 14.208 3.006 1.742 35 HB2 ARG 515 HB2 ARG 515 12.271 2.516 -0.527 36 HB3 ARG 515 HB3 ARG 515 14.025 2.494 -0.657 37 HG2 ARG 515 HG2 ARG 515 12.332 0.597 0.963 38 HG3 ARG 515 HG3 ARG 515 13.147 0.239 -0.562 39 HD2 ARG 515 HD2 ARG 515 15.318 0.748 0.538 40 HD3 ARG 515 HD3 ARG 515 14.455 0.955 2.061 41 HE ARG 515 HE ARG 515 14.112 -1.596 0.711 42 HH11 ARG 515 HH11 ARG 515 15.731 0.237 3.215 43 HH12 ARG 515 HH12 ARG 515 16.295 -1.170 4.054 44 HH21 ARG 515 HH21 ARG 515 14.859 -3.446 1.804 45 HH22 ARG 515 HH22 ARG 515 15.787 -3.268 3.260 46 H LYS 516 HN LYS 516 11.298 4.619 0.605 47 HA LYS 516 HA LYS 516 12.796 6.854 -0.452 48 HB2 LYS 516 HB2 LYS 516 9.859 6.235 -0.274 49 HB3 LYS 516 HB3 LYS 516 10.438 7.813 -0.777 50 HG2 LYS 516 HG2 LYS 516 9.883 6.479 -2.702 51 HG3 LYS 516 HG3 LYS 516 11.618 6.774 -2.654 52 HD2 LYS 516 HD2 LYS 516 12.045 4.544 -1.900 53 HD3 LYS 516 HD3 LYS 516 10.320 4.237 -1.669 54 HE2 LYS 516 HE2 LYS 516 9.910 4.310 -4.008 55 HE3 LYS 516 HE3 LYS 516 11.521 4.936 -4.338 56 HZ1 LYS 516 HZ1 LYS 516 11.228 2.545 -4.842 57 HZ2 LYS 516 HZ2 LYS 516 10.996 2.252 -3.195 58 HZ3 LYS 516 HZ3 LYS 516 12.479 2.851 -3.746 59 H GLY 517 HN GLY 517 12.007 5.937 2.594 60 HA2 GLY 517 HA2 GLY 517 12.906 7.785 4.126 61 HA3 GLY 517 HA1 GLY 517 11.545 8.699 3.498 62 H ALA 518 HN ALA 518 9.440 8.099 4.091 63 HA ALA 518 HA ALA 518 9.346 7.297 6.828 64 HB1 ALA 518 HB1 ALA 518 7.954 9.109 5.963 65 HB2 ALA 518 HB2 ALA 518 6.982 7.839 6.707 66 HB3 ALA 518 HB3 ALA 518 7.087 7.955 4.951 67 H GLY 519 HN GLY 519 7.523 6.066 4.004 68 HA2 GLY 519 HA2 GLY 519 6.698 3.957 3.582 69 HA3 GLY 519 HA1 GLY 519 7.797 3.340 4.812 70 H ARG 520 HN ARG 520 4.586 4.179 4.068 71 HA ARG 520 HA ARG 520 3.758 3.483 6.780 72 HB2 ARG 520 HB2 ARG 520 2.856 5.920 5.249 73 HB3 ARG 520 HB3 ARG 520 1.926 5.241 6.579 74 HG2 ARG 520 HG2 ARG 520 3.838 5.580 8.075 75 HG3 ARG 520 HG3 ARG 520 4.747 6.287 6.740 76 HD2 ARG 520 HD2 ARG 520 3.762 7.996 8.206 77 HD3 ARG 520 HD3 ARG 520 3.144 8.091 6.559 78 HE ARG 520 HE ARG 520 1.331 6.532 7.882 79 HH11 ARG 520 HH11 ARG 520 2.680 9.705 8.494 80 HH12 ARG 520 HH12 ARG 520 1.205 10.343 9.145 81 HH21 ARG 520 HH21 ARG 520 -0.611 7.375 8.757 82 HH22 ARG 520 HH22 ARG 520 -0.661 9.026 9.296 83 H VAL 521 HN VAL 521 1.872 2.358 6.908 84 HA VAL 521 HA VAL 521 1.078 1.138 4.385 85 HB VAL 521 HB VAL 521 0.515 0.265 7.223 86 HG11 VAL 521 HG11 VAL 521 0.032 -1.161 4.607 87 HG12 VAL 521 HG12 VAL 521 -1.202 -0.545 5.706 88 HG13 VAL 521 HG13 VAL 521 -0.157 -1.873 6.209 89 HG21 VAL 521 HG21 VAL 521 2.572 -0.594 5.208 90 HG22 VAL 521 HG22 VAL 521 2.144 -1.557 6.621 91 HG23 VAL 521 HG23 VAL 521 2.837 0.053 6.827 92 H VAL 522 HN VAL 522 -0.817 1.334 3.497 93 HA VAL 522 HA VAL 522 -2.999 2.674 4.944 94 HB VAL 522 HB VAL 522 -2.666 2.128 1.984 95 HG11 VAL 522 HG11 VAL 522 -4.592 3.580 1.688 96 HG12 VAL 522 HG12 VAL 522 -4.778 3.690 3.439 97 HG13 VAL 522 HG13 VAL 522 -4.993 2.140 2.621 98 HG21 VAL 522 HG21 VAL 522 -2.378 4.556 1.785 99 HG22 VAL 522 HG22 VAL 522 -1.103 3.811 2.751 100 HG23 VAL 522 HG23 VAL 522 -2.411 4.687 3.542 101 H HIS 523 HN HIS 523 -4.864 1.531 5.391 102 HA HIS 523 HA HIS 523 -4.861 -1.255 4.454 103 HB2 HIS 523 HB2 HIS 523 -5.785 -1.988 6.441 104 HB3 HIS 523 HB3 HIS 523 -4.763 -0.678 7.008 105 HD1 HIS 523 HD1 HIS 523 -5.916 1.244 8.218 106 HD2 HIS 523 HD2 HIS 523 -8.568 -1.417 6.455 107 HE1 HIS 523 HE1 HIS 523 -8.167 1.830 9.147 108 HE2 HIS 523 HE2 HIS 523 -9.691 0.021 8.291 109 H ILE 524 HN ILE 524 -6.574 -2.051 3.404 110 HA ILE 524 HA ILE 524 -8.735 -0.146 2.812 111 HB ILE 524 HB ILE 524 -7.567 -2.309 1.058 112 HG12 ILE 524 HG12 ILE 524 -7.585 0.705 0.801 113 HG13 ILE 524 HG13 ILE 524 -6.201 -0.265 1.285 114 HG21 ILE 524 HG21 ILE 524 -9.881 -0.442 0.556 115 HG22 ILE 524 HG22 ILE 524 -9.940 -2.204 0.671 116 HG23 ILE 524 HG23 ILE 524 -9.101 -1.435 -0.677 117 HD11 ILE 524 HD11 ILE 524 -6.126 0.479 -1.059 118 HD12 ILE 524 HD12 ILE 524 -7.579 -0.470 -1.376 119 HD13 ILE 524 HD13 ILE 524 -6.090 -1.272 -0.879 120 H CYS 525 HN CYS 525 -10.769 -0.740 3.150 121 HA CYS 525 HA CYS 525 -11.280 -3.512 3.976 122 HB2 CYS 525 HB2 CYS 525 -12.879 -2.557 5.669 123 HB3 CYS 525 HB3 CYS 525 -11.181 -2.246 6.003 124 HG CYS 525 HG CYS 525 -13.665 -0.091 5.336 125 H ASN 526 HN ASN 526 -13.820 -3.748 4.204 126 HA ASN 526 HA ASN 526 -15.826 -3.917 3.151 127 HB2 ASN 526 HB2 ASN 526 -14.999 -1.386 1.702 128 HB3 ASN 526 HB3 ASN 526 -16.603 -2.103 1.655 129 HD21 ASN 526 HD21 ASN 526 -16.594 -2.837 4.467 130 HD22 ASN 526 HD22 ASN 526 -16.797 -1.363 5.348 131 H LEU 527 HN LEU 527 -13.353 -5.098 2.155 132 HA LEU 527 HA LEU 527 -13.524 -5.022 -0.736 133 HB2 LEU 527 HB2 LEU 527 -11.745 -6.522 1.191 134 HB3 LEU 527 HB1 LEU 527 -11.628 -6.677 -0.552 135 HG LEU 527 HG LEU 527 -11.291 -4.050 0.896 136 HD11 LEU 527 HD11 LEU 527 -9.148 -5.938 -0.080 137 HD12 LEU 527 HD12 LEU 527 -9.555 -5.632 1.609 138 HD13 LEU 527 HD13 LEU 527 -8.895 -4.332 0.612 139 HD21 LEU 527 HD21 LEU 527 -10.212 -3.395 -1.214 140 HD22 LEU 527 HD22 LEU 527 -11.906 -3.834 -1.431 141 HD23 LEU 527 HD23 LEU 527 -10.635 -4.963 -1.898 142 HA PRO 528 HA PRO 528 -16.234 -8.647 -0.778 143 HB2 PRO 528 HB2 PRO 528 -15.902 -8.398 -3.688 144 HB3 PRO 528 HB3 PRO 528 -17.380 -8.356 -2.724 145 HG2 PRO 528 HG2 PRO 528 -16.387 -6.152 -3.917 146 HG3 PRO 528 HG3 PRO 528 -17.239 -6.085 -2.363 147 HD2 PRO 528 HD2 PRO 528 -14.299 -5.987 -2.921 148 HD3 PRO 528 HD3 PRO 528 -15.256 -5.066 -1.740 149 H GLU 529 HN GLU 529 -15.563 -10.675 -0.673 150 HA GLU 529 HA GLU 529 -12.904 -11.415 -1.330 151 HB2 GLU 529 HB2 GLU 529 -15.288 -13.033 -0.441 152 HB3 GLU 529 HB3 GLU 529 -13.683 -13.717 -0.673 153 HG2 GLU 529 HG2 GLU 529 -12.779 -12.255 1.025 154 HG3 GLU 529 HG3 GLU 529 -14.346 -11.475 1.221 155 H GLY 530 HN GLY 530 -12.078 -12.428 -3.049 156 HA2 GLY 530 HA2 GLY 530 -12.023 -13.779 -4.937 157 HA3 GLY 530 HA1 GLY 530 -13.772 -13.908 -4.867 158 H SER 531 HN SER 531 -13.748 -10.828 -4.667 159 HA SER 531 HA SER 531 -13.827 -10.434 -7.556 160 HB2 SER 531 HB2 SER 531 -14.681 -8.486 -5.412 161 HB3 SER 531 HB3 SER 531 -15.173 -8.515 -7.106 162 HG SER 531 HG SER 531 -16.810 -9.405 -5.883 163 H CYS 532 HN CYS 532 -12.170 -9.282 -4.698 164 HA CYS 532 HA CYS 532 -10.794 -7.192 -6.149 165 HB2 CYS 532 HB2 CYS 532 -10.366 -8.133 -3.309 166 HB3 CYS 532 HB3 CYS 532 -9.827 -6.611 -4.014 167 HG CYS 532 HG CYS 532 -12.923 -7.514 -2.984 168 H THR 533 HN THR 533 -8.858 -7.389 -7.073 169 HA THR 533 HA THR 533 -7.229 -9.756 -6.429 170 HB THR 533 HB THR 533 -6.065 -9.355 -8.557 171 HG1 THR 533 HG1 THR 533 -8.000 -7.346 -9.143 172 HG21 THR 533 HG21 THR 533 -9.070 -9.415 -8.845 173 HG22 THR 533 HG22 THR 533 -8.013 -10.808 -8.615 174 HG23 THR 533 HG23 THR 533 -7.920 -9.865 -10.101 175 H GLU 534 HN GLU 534 -4.787 -9.290 -6.572 176 HA GLU 534 HA GLU 534 -4.064 -7.168 -4.884 177 HB2 GLU 534 HB2 GLU 534 -1.823 -7.759 -5.248 178 HB3 GLU 534 HB3 GLU 534 -2.730 -9.254 -5.376 179 HG2 GLU 534 HG2 GLU 534 -2.603 -9.251 -7.723 180 HG3 GLU 534 HG3 GLU 534 -1.982 -7.604 -7.713 181 H ASN 535 HN ASN 535 -4.203 -7.511 -8.330 182 HA ASN 535 HA ASN 535 -2.968 -5.128 -9.088 183 HB2 ASN 535 HB2 ASN 535 -5.165 -6.712 -10.419 184 HB3 ASN 535 HB3 ASN 535 -4.427 -5.299 -11.160 185 HD21 ASN 535 HD21 ASN 535 -3.625 -6.459 -12.878 186 HD22 ASN 535 HD22 ASN 535 -2.311 -7.572 -12.724 187 H ASP 536 HN ASP 536 -6.377 -5.775 -8.288 188 HA ASP 536 HA ASP 536 -7.235 -3.155 -8.962 189 HB2 ASP 536 HB2 ASP 536 -8.507 -5.269 -7.228 190 HB3 ASP 536 HB3 ASP 536 -9.256 -3.710 -7.556 191 H VAL 537 HN VAL 537 -6.420 -4.682 -5.875 192 HA VAL 537 HA VAL 537 -7.092 -2.476 -4.255 193 HB VAL 537 HB VAL 537 -5.124 -4.712 -3.709 194 HG11 VAL 537 HG11 VAL 537 -5.385 -4.218 -1.376 195 HG12 VAL 537 HG12 VAL 537 -6.538 -2.935 -1.737 196 HG13 VAL 537 HG13 VAL 537 -4.847 -2.761 -2.212 197 HG21 VAL 537 HG21 VAL 537 -7.005 -5.730 -2.481 198 HG22 VAL 537 HG22 VAL 537 -7.327 -5.570 -4.209 199 HG23 VAL 537 HG23 VAL 537 -8.057 -4.440 -3.066 200 H ILE 538 HN ILE 538 -4.000 -3.525 -5.632 201 HA ILE 538 HA ILE 538 -2.450 -1.452 -4.488 202 HB ILE 538 HB ILE 538 -1.933 -3.182 -6.907 203 HG12 ILE 538 HG12 ILE 538 -0.866 -3.387 -4.085 204 HG13 ILE 538 HG13 ILE 538 -2.204 -4.341 -4.710 205 HG21 ILE 538 HG21 ILE 538 -0.581 -1.171 -7.037 206 HG22 ILE 538 HG22 ILE 538 0.423 -2.566 -6.639 207 HG23 ILE 538 HG23 ILE 538 -0.029 -1.417 -5.381 208 HD11 ILE 538 HD11 ILE 538 -0.154 -5.616 -4.715 209 HD12 ILE 538 HD12 ILE 538 0.630 -4.389 -5.711 210 HD13 ILE 538 HD13 ILE 538 -0.708 -5.334 -6.366 211 H ASN 539 HN ASN 539 -3.981 -1.827 -7.673 212 HA ASN 539 HA ASN 539 -2.956 0.530 -8.804 213 HB2 ASN 539 HB2 ASN 539 -5.323 -1.181 -9.479 214 HB3 ASN 539 HB3 ASN 539 -5.040 0.333 -10.331 215 HD21 ASN 539 HD21 ASN 539 -5.023 -2.354 -11.378 216 HD22 ASN 539 HD22 ASN 539 -3.449 -2.620 -12.042 217 H LEU 540 HN LEU 540 -5.636 0.030 -6.639 218 HA LEU 540 HA LEU 540 -6.941 2.494 -7.217 219 HB2 LEU 540 HB2 LEU 540 -7.083 0.690 -4.813 220 HB3 LEU 540 HB1 LEU 540 -8.069 2.126 -5.007 221 HG LEU 540 HG LEU 540 -8.132 -0.363 -6.702 222 HD11 LEU 540 HD11 LEU 540 -10.436 -0.496 -5.899 223 HD12 LEU 540 HD12 LEU 540 -10.166 0.934 -4.901 224 HD13 LEU 540 HD13 LEU 540 -9.272 -0.553 -4.575 225 HD21 LEU 540 HD21 LEU 540 -8.423 1.483 -8.194 226 HD22 LEU 540 HD22 LEU 540 -9.538 2.272 -7.083 227 HD23 LEU 540 HD23 LEU 540 -10.007 0.773 -7.884 228 H GLY 541 HN GLY 541 -4.411 1.572 -4.941 229 HA2 GLY 541 HA2 GLY 541 -4.531 4.090 -3.533 230 HA3 GLY 541 HA1 GLY 541 -3.310 2.841 -3.332 231 H LEU 542 HN LEU 542 -2.668 2.716 -6.120 232 HA LEU 542 HA LEU 542 -0.429 4.265 -6.204 233 HB2 LEU 542 HB2 LEU 542 -2.037 3.083 -8.440 234 HB3 LEU 542 HB1 LEU 542 -0.544 3.947 -8.743 235 HG LEU 542 HG LEU 542 -0.780 1.489 -7.002 236 HD11 LEU 542 HD11 LEU 542 -1.206 1.033 -9.385 237 HD12 LEU 542 HD12 LEU 542 0.290 0.304 -8.812 238 HD13 LEU 542 HD13 LEU 542 0.342 1.774 -9.784 239 HD21 LEU 542 HD21 LEU 542 1.666 1.487 -7.127 240 HD22 LEU 542 HD22 LEU 542 1.052 2.937 -6.339 241 HD23 LEU 542 HD23 LEU 542 1.616 3.014 -8.008 242 HA PRO 543 HA PRO 543 -2.809 7.381 -9.326 243 HB2 PRO 543 HB2 PRO 543 -5.103 7.614 -7.390 244 HB3 PRO 543 HB3 PRO 543 -5.072 7.933 -9.137 245 HG2 PRO 543 HG2 PRO 543 -6.047 5.661 -8.277 246 HG3 PRO 543 HG3 PRO 543 -4.924 5.648 -9.654 247 HD2 PRO 543 HD2 PRO 543 -4.437 4.900 -6.804 248 HD3 PRO 543 HD3 PRO 543 -3.793 4.171 -8.288 249 H PHE 544 HN PHE 544 -3.044 7.647 -5.746 250 HA PHE 544 HA PHE 544 -2.051 10.394 -6.098 251 HB2 PHE 544 HB2 PHE 544 -3.688 9.214 -3.872 252 HB3 PHE 544 HB1 PHE 544 -2.927 10.803 -3.774 253 HD1 PHE 544 HD1 PHE 544 -5.529 8.805 -5.394 254 HD2 PHE 544 HD2 PHE 544 -3.741 12.653 -5.090 255 HE1 PHE 544 HE1 PHE 544 -7.470 9.794 -6.535 256 HE2 PHE 544 HE2 PHE 544 -5.677 13.649 -6.233 257 HZ PHE 544 HZ PHE 544 -7.476 12.204 -7.079 258 H GLY 545 HN GLY 545 -1.222 7.339 -4.811 259 HA2 GLY 545 HA2 GLY 545 1.396 8.433 -4.124 260 HA3 GLY 545 HA1 GLY 545 0.529 7.569 -2.859 261 H LYS 546 HN LYS 546 3.089 6.972 -4.328 262 HA LYS 546 HA LYS 546 2.452 4.669 -5.942 263 HB2 LYS 546 HB2 LYS 546 4.383 6.172 -6.438 264 HB3 LYS 546 HB3 LYS 546 5.169 5.571 -4.982 265 HG2 LYS 546 HG2 LYS 546 5.195 3.320 -5.891 266 HG3 LYS 546 HG3 LYS 546 4.342 3.881 -7.332 267 HD2 LYS 546 HD2 LYS 546 6.250 5.415 -7.793 268 HD3 LYS 546 HD3 LYS 546 7.110 4.679 -6.439 269 HE2 LYS 546 HE2 LYS 546 7.800 3.701 -8.572 270 HE3 LYS 546 HE3 LYS 546 7.015 2.508 -7.539 271 HZ1 LYS 546 HZ1 LYS 546 6.286 2.400 -9.873 272 HZ2 LYS 546 HZ2 LYS 546 5.663 3.965 -9.747 273 HZ3 LYS 546 HZ3 LYS 546 5.009 2.716 -8.814 274 H VAL 547 HN VAL 547 2.866 2.569 -5.509 275 HA VAL 547 HA VAL 547 2.905 1.824 -2.691 276 HB VAL 547 HB VAL 547 2.144 0.275 -5.174 277 HG11 VAL 547 HG11 VAL 547 3.103 -1.212 -3.507 278 HG12 VAL 547 HG12 VAL 547 1.365 -1.473 -3.655 279 HG13 VAL 547 HG13 VAL 547 2.008 -0.567 -2.285 280 HG21 VAL 547 HG21 VAL 547 0.535 1.998 -4.561 281 HG22 VAL 547 HG22 VAL 547 0.472 1.369 -2.914 282 HG23 VAL 547 HG23 VAL 547 -0.124 0.391 -4.255 283 H THR 548 HN THR 548 4.495 0.618 -1.806 284 HA THR 548 HA THR 548 6.742 -0.135 -3.549 285 HB THR 548 HB THR 548 8.107 -0.187 -1.492 286 HG1 THR 548 HG1 THR 548 6.258 1.130 0.060 287 HG21 THR 548 HG21 THR 548 7.969 1.922 -2.741 288 HG22 THR 548 HG22 THR 548 8.120 2.215 -1.007 289 HG23 THR 548 HG23 THR 548 6.553 2.388 -1.797 290 H ASN 549 HN ASN 549 4.549 -1.326 -1.057 291 HA ASN 549 HA ASN 549 5.124 -4.091 -1.785 292 HB2 ASN 549 HB2 ASN 549 5.392 -3.050 1.051 293 HB3 ASN 549 HB3 ASN 549 5.370 -4.752 0.611 294 HD21 ASN 549 HD21 ASN 549 7.218 -1.823 0.666 295 HD22 ASN 549 HD22 ASN 549 8.731 -2.534 0.230 296 H TYR 550 HN TYR 550 3.489 -5.593 -0.637 297 HA TYR 550 HA TYR 550 1.115 -4.253 0.346 298 HB2 TYR 550 HB2 TYR 550 -0.402 -5.042 -1.312 299 HB3 TYR 550 HB3 TYR 550 0.924 -4.281 -2.182 300 HD1 TYR 550 HD1 TYR 550 -1.114 -7.154 -1.977 301 HD2 TYR 550 HD2 TYR 550 2.834 -5.907 -2.947 302 HE1 TYR 550 HE1 TYR 550 -0.798 -9.204 -3.303 303 HE2 TYR 550 HE2 TYR 550 3.160 -7.948 -4.275 304 HH TYR 550 HH TYR 550 2.189 -10.303 -4.313 305 H ILE 551 HN ILE 551 -0.318 -5.623 1.437 306 HA ILE 551 HA ILE 551 0.341 -8.481 1.529 307 HB ILE 551 HB ILE 551 -0.005 -6.685 3.942 308 HG12 ILE 551 HG12 ILE 551 2.125 -8.648 3.074 309 HG13 ILE 551 HG13 ILE 551 2.281 -6.901 3.198 310 HG21 ILE 551 HG21 ILE 551 -0.066 -8.732 5.312 311 HG22 ILE 551 HG22 ILE 551 -0.174 -9.695 3.839 312 HG23 ILE 551 HG23 ILE 551 -1.475 -8.583 4.261 313 HD11 ILE 551 HD11 ILE 551 1.965 -8.865 5.452 314 HD12 ILE 551 HD12 ILE 551 1.928 -7.115 5.651 315 HD13 ILE 551 HD13 ILE 551 3.390 -7.903 5.057 316 H LEU 552 HN LEU 552 -1.417 -9.667 1.140 317 HA LEU 552 HA LEU 552 -4.044 -8.379 1.461 318 HB2 LEU 552 HB2 LEU 552 -3.068 -10.522 -0.408 319 HB3 LEU 552 HB1 LEU 552 -4.774 -10.222 -0.150 320 HG LEU 552 HG LEU 552 -2.854 -8.118 -1.139 321 HD11 LEU 552 HD11 LEU 552 -3.788 -8.535 -3.353 322 HD12 LEU 552 HD12 LEU 552 -4.744 -9.870 -2.709 323 HD13 LEU 552 HD13 LEU 552 -2.983 -9.977 -2.734 324 HD21 LEU 552 HD21 LEU 552 -4.932 -7.011 -1.848 325 HD22 LEU 552 HD22 LEU 552 -4.822 -7.211 -0.100 326 HD23 LEU 552 HD23 LEU 552 -5.858 -8.283 -1.045 327 H MET 553 HN MET 553 -5.008 -8.994 3.294 328 HA MET 553 HA MET 553 -4.860 -11.840 4.030 329 HB2 MET 553 HB2 MET 553 -5.567 -9.438 5.728 330 HB3 MET 553 HB3 MET 553 -5.617 -11.107 6.282 331 HG2 MET 553 HG2 MET 553 -3.200 -11.295 5.805 332 HG3 MET 553 HG3 MET 553 -3.184 -9.584 5.380 333 HE1 MET 553 HE1 MET 553 -1.315 -9.717 8.833 334 HE2 MET 553 HE2 MET 553 -1.214 -9.208 7.148 335 HE3 MET 553 HE3 MET 553 -1.269 -10.925 7.549 336 H LYS 554 HN LYS 554 -6.440 -12.536 2.606 337 HA LYS 554 HA LYS 554 -8.962 -11.258 2.319 338 HB2 LYS 554 HB2 LYS 554 -8.148 -14.083 1.612 339 HB3 LYS 554 HB3 LYS 554 -9.637 -13.305 1.108 340 HG2 LYS 554 HG2 LYS 554 -8.340 -13.063 -0.766 341 HG3 LYS 554 HG3 LYS 554 -8.036 -11.532 0.058 342 HD2 LYS 554 HD2 LYS 554 -5.932 -12.318 0.883 343 HD3 LYS 554 HD3 LYS 554 -6.261 -13.957 0.318 344 HE2 LYS 554 HE2 LYS 554 -5.934 -11.528 -1.444 345 HE3 LYS 554 HE3 LYS 554 -4.699 -12.752 -1.156 346 HZ1 LYS 554 HZ1 LYS 554 -6.210 -14.403 -2.128 347 HZ2 LYS 554 HZ2 LYS 554 -5.821 -13.178 -3.223 348 HZ3 LYS 554 HZ3 LYS 554 -7.328 -13.180 -2.466 349 H SER 555 HN SER 555 -7.690 -13.680 4.443 350 HA SER 555 HA SER 555 -10.085 -14.852 5.322 351 HB2 SER 555 HB2 SER 555 -8.726 -15.604 7.267 352 HB3 SER 555 HB3 SER 555 -7.938 -15.908 5.720 353 HG SER 555 HG SER 555 -6.356 -14.687 6.344 354 H THR 556 HN THR 556 -8.402 -11.936 6.344 355 HA THR 556 HA THR 556 -10.309 -11.567 8.529 356 HB THR 556 HB THR 556 -8.851 -9.683 9.205 357 HG1 THR 556 HG1 THR 556 -7.462 -8.939 7.810 358 HG21 THR 556 HG21 THR 556 -8.430 -11.915 10.110 359 HG22 THR 556 HG22 THR 556 -6.919 -11.031 9.893 360 HG23 THR 556 HG23 THR 556 -7.383 -12.281 8.739 361 H ASN 557 HN ASN 557 -10.309 -11.037 5.385 362 HA ASN 557 HA ASN 557 -11.325 -9.644 3.905 363 HB2 ASN 557 HB2 ASN 557 -13.161 -10.057 5.733 364 HB3 ASN 557 HB3 ASN 557 -12.851 -8.377 6.148 365 HD21 ASN 557 HD21 ASN 557 -14.079 -10.555 3.798 366 HD22 ASN 557 HD22 ASN 557 -14.874 -9.389 2.806 367 H GLN 558 HN GLN 558 -8.871 -8.759 4.803 368 HA GLN 558 HA GLN 558 -9.223 -5.858 4.692 369 HB2 GLN 558 HB2 GLN 558 -7.511 -7.279 6.744 370 HB3 GLN 558 HB3 GLN 558 -7.532 -5.542 6.476 371 HG2 GLN 558 HG2 GLN 558 -9.767 -5.364 7.253 372 HG3 GLN 558 HG3 GLN 558 -9.969 -7.119 7.281 373 HE21 GLN 558 HE21 GLN 558 -8.631 -4.351 8.883 374 HE22 GLN 558 HE22 GLN 558 -8.207 -5.153 10.356 375 H ALA 559 HN ALA 559 -7.496 -4.760 3.752 376 HA ALA 559 HA ALA 559 -5.277 -6.432 2.783 377 HB1 ALA 559 HB1 ALA 559 -5.314 -5.264 0.652 378 HB2 ALA 559 HB2 ALA 559 -6.691 -4.296 1.183 379 HB3 ALA 559 HB3 ALA 559 -6.874 -6.034 0.951 380 H PHE 560 HN PHE 560 -3.280 -5.461 2.737 381 HA PHE 560 HA PHE 560 -3.147 -2.762 3.898 382 HB2 PHE 560 HB2 PHE 560 -1.274 -5.089 4.381 383 HB3 PHE 560 HB1 PHE 560 -1.048 -3.460 5.009 384 HD1 PHE 560 HD1 PHE 560 -2.733 -6.623 5.432 385 HD2 PHE 560 HD2 PHE 560 -2.649 -2.553 6.678 386 HE1 PHE 560 HE1 PHE 560 -4.091 -7.202 7.403 387 HE2 PHE 560 HE2 PHE 560 -4.004 -3.125 8.649 388 HZ PHE 560 HZ PHE 560 -4.728 -5.450 9.013 389 H LEU 561 HN LEU 561 -2.081 -1.318 2.748 390 HA LEU 561 HA LEU 561 -0.432 -2.273 0.505 391 HB2 LEU 561 HB2 LEU 561 -2.765 -1.329 0.013 392 HB3 LEU 561 HB1 LEU 561 -2.108 0.223 0.484 393 HG LEU 561 HG LEU 561 -0.524 0.164 -1.349 394 HD11 LEU 561 HD11 LEU 561 -0.600 -1.664 -3.000 395 HD12 LEU 561 HD12 LEU 561 -1.695 -2.552 -1.939 396 HD13 LEU 561 HD13 LEU 561 -0.047 -2.206 -1.417 397 HD21 LEU 561 HD21 LEU 561 -3.265 -0.621 -2.330 398 HD22 LEU 561 HD22 LEU 561 -2.064 0.341 -3.191 399 HD23 LEU 561 HD23 LEU 561 -2.835 0.983 -1.741 400 H GLU 562 HN GLU 562 1.573 -1.487 0.445 401 HA GLU 562 HA GLU 562 2.330 0.475 2.493 402 HB2 GLU 562 HB2 GLU 562 3.456 -1.636 2.677 403 HB3 GLU 562 HB3 GLU 562 3.873 -1.620 0.970 404 HG2 GLU 562 HG2 GLU 562 5.805 -1.141 2.299 405 HG3 GLU 562 HG3 GLU 562 5.354 0.278 1.362 406 H MET 563 HN MET 563 3.504 2.310 1.992 407 HA MET 563 HA MET 563 3.317 3.014 -0.864 408 HB2 MET 563 HB2 MET 563 2.972 4.855 1.503 409 HB3 MET 563 HB3 MET 563 2.756 5.275 -0.194 410 HG2 MET 563 HG2 MET 563 1.083 3.409 1.462 411 HG3 MET 563 HG3 MET 563 0.607 4.957 0.767 412 HE1 MET 563 HE1 MET 563 -1.499 2.255 -1.182 413 HE2 MET 563 HE2 MET 563 -1.575 3.671 -0.134 414 HE3 MET 563 HE3 MET 563 -0.969 2.136 0.496 415 H ALA 564 HN ALA 564 4.739 4.744 -1.591 416 HA ALA 564 HA ALA 564 7.434 4.192 -0.804 417 HB1 ALA 564 HB1 ALA 564 8.058 5.703 -2.595 418 HB2 ALA 564 HB2 ALA 564 6.395 6.267 -2.728 419 HB3 ALA 564 HB3 ALA 564 6.796 4.600 -3.139 420 H TYR 565 HN TYR 565 5.316 7.029 -0.554 421 HA TYR 565 HA TYR 565 7.295 8.217 1.281 422 HB2 TYR 565 HB2 TYR 565 5.388 9.738 -0.512 423 HB3 TYR 565 HB3 TYR 565 6.634 10.424 0.519 424 HD1 TYR 565 HD1 TYR 565 5.910 8.805 -2.651 425 HD2 TYR 565 HD2 TYR 565 9.009 10.241 -0.118 426 HE1 TYR 565 HE1 TYR 565 7.478 8.726 -4.540 427 HE2 TYR 565 HE2 TYR 565 10.589 10.166 -2.002 428 HH TYR 565 HH TYR 565 9.578 9.758 -5.230 429 H THR 566 HN THR 566 6.433 9.456 3.030 430 HA THR 566 HA THR 566 4.064 8.458 4.172 431 HB THR 566 HB THR 566 5.852 9.457 5.539 432 HG1 THR 566 HG1 THR 566 4.372 10.821 6.837 433 HG21 THR 566 HG21 THR 566 4.908 12.103 4.433 434 HG22 THR 566 HG22 THR 566 6.459 11.338 4.093 435 HG23 THR 566 HG23 THR 566 6.084 11.883 5.728 436 H GLU 567 HN GLU 567 4.730 11.379 2.293 437 HA GLU 567 HA GLU 567 2.151 12.509 2.511 438 HB2 GLU 567 HB2 GLU 567 2.818 13.823 0.487 439 HB3 GLU 567 HB3 GLU 567 3.963 13.917 1.817 440 HG2 GLU 567 HG2 GLU 567 5.504 12.519 0.735 441 HG3 GLU 567 HG3 GLU 567 4.308 11.974 -0.439 442 H ALA 568 HN ALA 568 3.543 10.142 0.362 443 HA ALA 568 HA ALA 568 1.534 10.122 -1.595 444 HB1 ALA 568 HB1 ALA 568 3.268 7.838 -0.651 445 HB2 ALA 568 HB2 ALA 568 3.705 9.023 -1.883 446 HB3 ALA 568 HB3 ALA 568 2.376 7.903 -2.171 447 H ALA 569 HN ALA 569 1.926 8.294 1.400 448 HA ALA 569 HA ALA 569 -0.410 6.727 1.099 449 HB1 ALA 569 HB1 ALA 569 -0.025 6.021 3.352 450 HB2 ALA 569 HB2 ALA 569 1.008 7.416 3.666 451 HB3 ALA 569 HB3 ALA 569 1.539 6.162 2.546 452 H GLN 570 HN GLN 570 0.260 9.703 2.932 453 HA GLN 570 HA GLN 570 -2.308 9.843 4.125 454 HB2 GLN 570 HB2 GLN 570 -0.317 12.062 3.625 455 HB3 GLN 570 HB3 GLN 570 -1.696 12.149 4.711 456 HG2 GLN 570 HG2 GLN 570 -0.729 10.402 6.098 457 HG3 GLN 570 HG3 GLN 570 0.645 10.281 4.997 458 HE21 GLN 570 HE21 GLN 570 2.171 10.868 6.486 459 HE22 GLN 570 HE22 GLN 570 2.295 12.469 7.129 460 H ALA 571 HN ALA 571 -0.903 11.410 1.259 461 HA ALA 571 HA ALA 571 -3.052 13.144 0.748 462 HB1 ALA 571 HB1 ALA 571 -0.835 13.453 -0.235 463 HB2 ALA 571 HB2 ALA 571 -2.094 13.430 -1.471 464 HB3 ALA 571 HB3 ALA 571 -1.073 12.013 -1.225 465 H MET 572 HN MET 572 -2.368 9.864 -0.452 466 HA MET 572 HA MET 572 -4.589 9.798 -2.195 467 HB2 MET 572 HB2 MET 572 -4.151 7.506 -2.497 468 HB3 MET 572 HB3 MET 572 -2.576 8.221 -2.200 469 HG2 MET 572 HG2 MET 572 -2.528 7.377 0.027 470 HG3 MET 572 HG3 MET 572 -4.212 6.867 -0.072 471 HE1 MET 572 HE1 MET 572 -0.701 4.919 -2.299 472 HE2 MET 572 HE2 MET 572 -0.553 6.245 -1.146 473 HE3 MET 572 HE3 MET 572 -1.314 6.519 -2.713 474 H VAL 573 HN VAL 573 -4.130 8.768 1.158 475 HA VAL 573 HA VAL 573 -6.632 7.481 1.355 476 HB VAL 573 HB VAL 573 -4.689 8.417 3.445 477 HG11 VAL 573 HG11 VAL 573 -6.704 8.545 4.617 478 HG12 VAL 573 HG12 VAL 573 -6.145 6.901 4.938 479 HG13 VAL 573 HG13 VAL 573 -7.401 7.190 3.735 480 HG21 VAL 573 HG21 VAL 573 -4.378 5.993 3.717 481 HG22 VAL 573 HG22 VAL 573 -4.014 6.531 2.075 482 HG23 VAL 573 HG23 VAL 573 -5.543 5.715 2.421 483 H GLN 574 HN GLN 574 -5.570 10.738 2.306 484 HA GLN 574 HA GLN 574 -8.016 11.447 3.478 485 HB2 GLN 574 HB2 GLN 574 -5.894 13.160 2.194 486 HB3 GLN 574 HB3 GLN 574 -7.304 13.820 3.022 487 HG2 GLN 574 HG2 GLN 574 -6.585 12.416 5.016 488 HG3 GLN 574 HG3 GLN 574 -5.055 12.207 4.171 489 HE21 GLN 574 HE21 GLN 574 -5.735 13.523 6.691 490 HE22 GLN 574 HE22 GLN 574 -5.111 15.132 6.560 491 H TYR 575 HN TYR 575 -6.909 11.515 0.152 492 HA TYR 575 HA TYR 575 -9.254 12.679 -0.920 493 HB2 TYR 575 HB2 TYR 575 -7.145 12.470 -2.210 494 HB3 TYR 575 HB3 TYR 575 -7.370 10.724 -2.256 495 HD1 TYR 575 HD1 TYR 575 -8.469 13.935 -3.610 496 HD2 TYR 575 HD2 TYR 575 -9.136 9.736 -3.638 497 HE1 TYR 575 HE1 TYR 575 -9.797 14.166 -5.664 498 HE2 TYR 575 HE2 TYR 575 -10.463 9.955 -5.693 499 HH TYR 575 HH TYR 575 -11.804 11.763 -6.838 500 H TYR 576 HN TYR 576 -8.313 9.294 -0.323 501 HA TYR 576 HA TYR 576 -10.732 8.286 -1.491 502 HB2 TYR 576 HB2 TYR 576 -8.702 6.841 0.212 503 HB3 TYR 576 HB3 TYR 576 -9.979 6.087 -0.734 504 HD1 TYR 576 HD1 TYR 576 -6.792 5.945 -0.786 505 HD2 TYR 576 HD2 TYR 576 -9.758 7.765 -3.229 506 HE1 TYR 576 HE1 TYR 576 -5.263 5.850 -2.695 507 HE2 TYR 576 HE2 TYR 576 -8.232 7.678 -5.155 508 HH TYR 576 HH TYR 576 -5.511 5.804 -5.256 509 H GLN 577 HN GLN 577 -9.916 9.385 1.676 510 HA GLN 577 HA GLN 577 -12.055 7.946 2.944 511 HB2 GLN 577 HB2 GLN 577 -10.284 10.216 3.853 512 HB3 GLN 577 HB3 GLN 577 -11.648 9.663 4.823 513 HG2 GLN 577 HG2 GLN 577 -10.633 7.380 4.771 514 HG3 GLN 577 HG3 GLN 577 -9.225 8.093 3.987 515 HE21 GLN 577 HE21 GLN 577 -11.031 7.804 6.925 516 HE22 GLN 577 HE22 GLN 577 -9.855 8.516 7.966 517 H GLU 578 HN GLU 578 -11.712 10.916 1.230 518 HA GLU 578 HA GLU 578 -14.421 11.746 1.959 519 HB2 GLU 578 HB2 GLU 578 -12.262 13.176 0.398 520 HB3 GLU 578 HB3 GLU 578 -13.857 13.840 0.734 521 HG2 GLU 578 HG2 GLU 578 -13.379 13.678 3.147 522 HG3 GLU 578 HG3 GLU 578 -11.760 13.099 2.764 523 H LYS 579 HN LYS 579 -12.451 10.843 -0.810 524 HA LYS 579 HA LYS 579 -14.909 10.202 -2.310 525 HB2 LYS 579 HB2 LYS 579 -12.380 11.496 -3.351 526 HB3 LYS 579 HB3 LYS 579 -13.597 10.779 -4.395 527 HG2 LYS 579 HG2 LYS 579 -14.089 13.057 -2.486 528 HG3 LYS 579 HG3 LYS 579 -13.784 13.228 -4.215 529 HD2 LYS 579 HD2 LYS 579 -16.099 11.749 -2.962 530 HD3 LYS 579 HD3 LYS 579 -16.177 13.339 -3.720 531 HE2 LYS 579 HE2 LYS 579 -15.448 12.322 -5.849 532 HE3 LYS 579 HE3 LYS 579 -15.464 10.740 -5.075 533 HZ1 LYS 579 HZ1 LYS 579 -17.490 11.069 -6.287 534 HZ2 LYS 579 HZ2 LYS 579 -17.799 12.523 -5.487 535 HZ3 LYS 579 HZ3 LYS 579 -17.847 11.065 -4.634 536 HA PRO 580 HA PRO 580 -12.214 6.549 -1.627 537 HB2 PRO 580 HB2 PRO 580 -14.751 5.094 -1.458 538 HB3 PRO 580 HB3 PRO 580 -13.472 5.280 -0.246 539 HG2 PRO 580 HG2 PRO 580 -15.863 6.483 0.047 540 HG3 PRO 580 HG3 PRO 580 -14.354 7.263 0.578 541 HD2 PRO 580 HD2 PRO 580 -15.902 7.691 -1.965 542 HD3 PRO 580 HD3 PRO 580 -15.252 8.895 -0.826 543 H ALA 581 HN ALA 581 -11.943 4.511 -2.739 544 HA ALA 581 HA ALA 581 -12.578 4.853 -5.564 545 HB1 ALA 581 HB1 ALA 581 -10.639 2.953 -4.247 546 HB2 ALA 581 HB2 ALA 581 -10.228 4.536 -4.906 547 HB3 ALA 581 HB3 ALA 581 -10.797 3.256 -5.976 548 H ILE 582 HN ILE 582 -13.238 2.971 -6.858 549 HA ILE 582 HA ILE 582 -15.127 1.371 -5.258 550 HB ILE 582 HB ILE 582 -15.643 2.578 -7.979 551 HG12 ILE 582 HG12 ILE 582 -16.582 3.437 -5.237 552 HG13 ILE 582 HG13 ILE 582 -15.484 4.319 -6.276 553 HG21 ILE 582 HG21 ILE 582 -17.960 1.914 -7.586 554 HG22 ILE 582 HG22 ILE 582 -17.493 1.178 -6.054 555 HG23 ILE 582 HG23 ILE 582 -16.883 0.518 -7.571 556 HD11 ILE 582 HD11 ILE 582 -17.717 5.273 -6.306 557 HD12 ILE 582 HD12 ILE 582 -18.370 3.738 -6.879 558 HD13 ILE 582 HD13 ILE 582 -17.260 4.660 -7.895 559 H ILE 583 HN ILE 583 -15.147 -0.761 -5.591 560 HA ILE 583 HA ILE 583 -14.189 -1.784 -8.197 561 HB ILE 583 HB ILE 583 -13.981 -3.142 -5.499 562 HG12 ILE 583 HG12 ILE 583 -11.886 -2.142 -7.437 563 HG13 ILE 583 HG13 ILE 583 -12.225 -1.506 -5.832 564 HG21 ILE 583 HG21 ILE 583 -12.921 -5.001 -6.703 565 HG22 ILE 583 HG22 ILE 583 -13.266 -4.198 -8.235 566 HG23 ILE 583 HG23 ILE 583 -14.591 -4.757 -7.214 567 HD11 ILE 583 HD11 ILE 583 -10.232 -2.844 -5.761 568 HD12 ILE 583 HD12 ILE 583 -11.077 -4.206 -6.494 569 HD13 ILE 583 HD13 ILE 583 -11.512 -3.671 -4.873 570 H ASN 584 HN ASN 584 -15.792 -2.590 -9.368 571 HA ASN 584 HA ASN 584 -17.738 -3.560 -10.016 572 HB2 ASN 584 HB2 ASN 584 -17.240 -5.147 -7.499 573 HB3 ASN 584 HB3 ASN 584 -18.520 -5.524 -8.646 574 HD21 ASN 584 HD21 ASN 584 -16.305 -7.157 -7.862 575 HD22 ASN 584 HD22 ASN 584 -15.392 -7.489 -9.293 576 H GLY 585 HN GLY 585 -18.004 -1.140 -8.528 577 HA2 GLY 585 HA2 GLY 585 -19.923 0.088 -8.033 578 HA3 GLY 585 HA1 GLY 585 -20.818 -1.414 -7.880 579 H GLU 586 HN GLU 586 -18.059 -1.762 -6.087 580 HA GLU 586 HA GLU 586 -19.469 -0.981 -3.631 581 HB2 GLU 586 HB2 GLU 586 -17.046 -2.755 -4.021 582 HB3 GLU 586 HB3 GLU 586 -17.839 -2.436 -2.485 583 HG2 GLU 586 HG2 GLU 586 -19.164 -3.754 -4.837 584 HG3 GLU 586 HG3 GLU 586 -18.414 -4.623 -3.499 585 H LYS 587 HN LYS 587 -18.815 0.768 -2.549 586 HA LYS 587 HA LYS 587 -16.423 2.150 -3.424 587 HB2 LYS 587 HB2 LYS 587 -18.506 2.911 -1.366 588 HB3 LYS 587 HB3 LYS 587 -17.175 3.939 -1.880 589 HG2 LYS 587 HG2 LYS 587 -18.081 3.895 -4.182 590 HG3 LYS 587 HG3 LYS 587 -19.452 2.959 -3.592 591 HD2 LYS 587 HD2 LYS 587 -18.692 5.686 -2.551 592 HD3 LYS 587 HD3 LYS 587 -19.878 5.414 -3.828 593 HE2 LYS 587 HE2 LYS 587 -20.045 4.305 -1.028 594 HE3 LYS 587 HE3 LYS 587 -20.914 5.720 -1.615 595 HZ1 LYS 587 HZ1 LYS 587 -22.334 3.804 -1.678 596 HZ2 LYS 587 HZ2 LYS 587 -21.217 2.940 -2.605 597 HZ3 LYS 587 HZ3 LYS 587 -21.997 4.288 -3.263 598 H LEU 588 HN LEU 588 -14.568 1.456 -2.631 599 HA LEU 588 HA LEU 588 -14.417 0.120 -0.070 600 HB2 LEU 588 HB2 LEU 588 -12.119 0.979 -1.820 601 HB3 LEU 588 HB1 LEU 588 -12.118 -0.257 -0.579 602 HG LEU 588 HG LEU 588 -13.513 -0.424 -3.245 603 HD11 LEU 588 HD11 LEU 588 -11.851 -2.220 -3.619 604 HD12 LEU 588 HD12 LEU 588 -11.076 -1.771 -2.099 605 HD13 LEU 588 HD13 LEU 588 -11.130 -0.623 -3.435 606 HD21 LEU 588 HD21 LEU 588 -13.356 -2.414 -0.982 607 HD22 LEU 588 HD22 LEU 588 -13.978 -2.756 -2.596 608 HD23 LEU 588 HD23 LEU 588 -14.807 -1.594 -1.560 609 H LEU 589 HN LEU 589 -13.881 1.077 1.809 610 HA LEU 589 HA LEU 589 -12.977 3.817 1.746 611 HB2 LEU 589 HB2 LEU 589 -14.537 3.055 3.500 612 HB3 LEU 589 HB1 LEU 589 -13.321 1.936 4.086 613 HG LEU 589 HG LEU 589 -11.891 3.771 4.772 614 HD11 LEU 589 HD11 LEU 589 -12.657 6.101 4.604 615 HD12 LEU 589 HD12 LEU 589 -14.034 5.566 3.642 616 HD13 LEU 589 HD13 LEU 589 -12.395 5.369 3.022 617 HD21 LEU 589 HD21 LEU 589 -13.273 4.712 6.536 618 HD22 LEU 589 HD22 LEU 589 -13.618 2.996 6.327 619 HD23 LEU 589 HD23 LEU 589 -14.731 4.205 5.685 620 H ILE 590 HN ILE 590 -10.984 4.069 1.064 621 HA ILE 590 HA ILE 590 -8.864 2.266 1.963 622 HB ILE 590 HB ILE 590 -8.738 4.633 0.075 623 HG12 ILE 590 HG12 ILE 590 -8.814 1.680 -0.557 624 HG13 ILE 590 HG13 ILE 590 -10.097 2.838 -0.865 625 HG21 ILE 590 HG21 ILE 590 -6.596 4.216 1.116 626 HG22 ILE 590 HG22 ILE 590 -6.542 3.728 -0.578 627 HG23 ILE 590 HG23 ILE 590 -6.690 2.510 0.687 628 HD11 ILE 590 HD11 ILE 590 -8.646 4.026 -2.446 629 HD12 ILE 590 HD12 ILE 590 -8.870 2.337 -2.903 630 HD13 ILE 590 HD13 ILE 590 -7.365 2.853 -2.142 631 H ARG 591 HN ARG 591 -7.844 2.760 3.814 632 HA ARG 591 HA ARG 591 -7.552 5.559 4.562 633 HB2 ARG 591 HB2 ARG 591 -8.448 4.982 6.887 634 HB3 ARG 591 HB3 ARG 591 -9.606 5.231 5.590 635 HG2 ARG 591 HG2 ARG 591 -9.869 2.833 5.334 636 HG3 ARG 591 HG3 ARG 591 -8.658 2.553 6.589 637 HD2 ARG 591 HD2 ARG 591 -10.053 3.535 8.257 638 HD3 ARG 591 HD3 ARG 591 -11.191 4.120 7.046 639 HE ARG 591 HE ARG 591 -11.295 1.475 6.651 640 HH11 ARG 591 HH11 ARG 591 -11.476 3.381 9.589 641 HH12 ARG 591 HH12 ARG 591 -12.516 2.257 10.403 642 HH21 ARG 591 HH21 ARG 591 -12.679 -0.001 7.726 643 HH22 ARG 591 HH22 ARG 591 -13.197 0.334 9.346 644 H MET 592 HN MET 592 -6.284 5.879 6.546 645 HA MET 592 HA MET 592 -3.779 4.636 6.193 646 HB2 MET 592 HB2 MET 592 -4.752 6.300 8.528 647 HB3 MET 592 HB3 MET 592 -3.079 5.975 8.124 648 HG2 MET 592 HG2 MET 592 -4.609 7.211 5.955 649 HG3 MET 592 HG3 MET 592 -4.473 8.194 7.410 650 HE1 MET 592 HE1 MET 592 -2.445 6.251 4.636 651 HE2 MET 592 HE2 MET 592 -1.812 5.562 6.131 652 HE3 MET 592 HE3 MET 592 -0.785 6.586 5.127 653 H SER 593 HN SER 593 -2.738 3.020 7.326 654 HA SER 593 HA SER 593 -4.391 1.412 9.096 655 HB2 SER 593 HB2 SER 593 -2.996 0.311 7.358 656 HB3 SER 593 HB3 SER 593 -1.551 0.927 8.159 657 HG SER 593 HG SER 593 -3.482 -0.789 9.354 658 H THR 594 HN THR 594 -4.317 1.518 11.225 659 HA THR 594 HA THR 594 -2.267 3.150 12.491 660 HB THR 594 HB THR 594 -3.724 2.788 14.544 661 HG1 THR 594 HG1 THR 594 -5.354 1.462 14.357 662 HG21 THR 594 HG21 THR 594 -3.838 4.835 13.202 663 HG22 THR 594 HG22 THR 594 -5.431 4.383 13.803 664 HG23 THR 594 HG23 THR 594 -5.002 4.066 12.122 665 H ARG 595 HN ARG 595 -3.027 -0.127 11.935 666 HA ARG 595 HA ARG 595 -1.692 -1.144 14.293 667 HB2 ARG 595 HB2 ARG 595 -2.756 -2.573 11.853 668 HB3 ARG 595 HB3 ARG 595 -2.106 -3.367 13.277 669 HG2 ARG 595 HG2 ARG 595 -3.910 -2.353 14.622 670 HG3 ARG 595 HG3 ARG 595 -4.581 -1.657 13.143 671 HD2 ARG 595 HD2 ARG 595 -4.743 -3.955 12.210 672 HD3 ARG 595 HD3 ARG 595 -4.223 -4.583 13.772 673 HE ARG 595 HE ARG 595 -6.435 -2.949 14.214 674 HH11 ARG 595 HH11 ARG 595 -5.653 -5.976 12.635 675 HH12 ARG 595 HH12 ARG 595 -7.253 -6.627 12.808 676 HH21 ARG 595 HH21 ARG 595 -8.546 -3.809 14.434 677 HH22 ARG 595 HH22 ARG 595 -8.897 -5.390 13.815 678 H TYR 596 HN TYR 596 -1.039 -0.894 10.823 679 HA TYR 596 HA TYR 596 1.698 -1.872 11.315 680 HB2 TYR 596 HB2 TYR 596 0.082 -1.701 8.759 681 HB3 TYR 596 HB3 TYR 596 1.780 -2.144 8.813 682 HD1 TYR 596 HD1 TYR 596 2.266 -4.379 8.716 683 HD2 TYR 596 HD2 TYR 596 -1.439 -3.184 10.424 684 HE1 TYR 596 HE1 TYR 596 1.643 -6.740 8.995 685 HE2 TYR 596 HE2 TYR 596 -2.071 -5.541 10.718 686 HH TYR 596 HH TYR 596 0.097 -8.069 10.515 687 H LYS 597 HN LYS 597 3.367 -0.469 11.098 688 HA LYS 597 HA LYS 597 2.807 2.192 10.043 689 HB2 LYS 597 HB2 LYS 597 4.227 1.761 12.149 690 HB3 LYS 597 HB3 LYS 597 5.489 1.248 11.034 691 HG2 LYS 597 HG2 LYS 597 5.034 3.535 9.883 692 HG3 LYS 597 HG3 LYS 597 4.304 3.959 11.431 693 HD2 LYS 597 HD2 LYS 597 6.532 4.688 11.580 694 HD3 LYS 597 HD3 LYS 597 6.482 3.177 12.491 695 HE2 LYS 597 HE2 LYS 597 8.462 3.275 11.073 696 HE3 LYS 597 HE3 LYS 597 7.383 1.980 10.560 697 HZ1 LYS 597 HZ1 LYS 597 7.543 4.660 9.289 698 HZ2 LYS 597 HZ2 LYS 597 6.591 3.365 8.761 699 HZ3 LYS 597 HZ3 LYS 597 8.277 3.260 8.692 700 H GLU 598 HN GLU 598 4.792 -0.638 9.411 701 HA GLU 598 HA GLU 598 4.959 0.110 6.613 702 HB2 GLU 598 HB2 GLU 598 7.472 -0.567 6.709 703 HB3 GLU 598 HB3 GLU 598 6.994 1.065 7.139 704 HG2 GLU 598 HG2 GLU 598 8.551 0.464 8.754 705 HG3 GLU 598 HG3 GLU 598 6.996 0.258 9.550 706 H LEU 599 HN LEU 599 5.394 -1.627 5.221 707 HA LEU 599 HA LEU 599 4.567 -4.172 6.388 708 HB2 LEU 599 HB2 LEU 599 4.754 -3.233 3.534 709 HB3 LEU 599 HB1 LEU 599 4.363 -4.885 3.977 710 HG LEU 599 HG LEU 599 2.725 -2.420 4.568 711 HD11 LEU 599 HD11 LEU 599 2.512 -3.261 2.291 712 HD12 LEU 599 HD12 LEU 599 1.040 -3.555 3.219 713 HD13 LEU 599 HD13 LEU 599 2.170 -4.873 2.917 714 HD21 LEU 599 HD21 LEU 599 2.348 -5.260 5.472 715 HD22 LEU 599 HD22 LEU 599 1.089 -4.030 5.517 716 HD23 LEU 599 HD23 LEU 599 2.550 -3.833 6.488 717 H GLN 600 HN GLN 600 6.078 -5.479 7.067 718 HA GLN 600 HA GLN 600 8.428 -5.934 5.370 719 HB2 GLN 600 HB2 GLN 600 7.860 -7.090 8.110 720 HB3 GLN 600 HB3 GLN 600 9.382 -7.150 7.230 721 HG2 GLN 600 HG2 GLN 600 9.513 -4.681 7.389 722 HG3 GLN 600 HG3 GLN 600 8.064 -4.709 8.392 723 HE21 GLN 600 HE21 GLN 600 10.655 -3.726 9.090 724 HE22 GLN 600 HE22 GLN 600 11.206 -4.653 10.438 725 H LEU 601 HN LEU 601 7.914 -7.309 3.789 726 HA LEU 601 HA LEU 601 5.593 -8.903 3.863 727 HB2 LEU 601 HB2 LEU 601 7.928 -9.051 1.964 728 HB3 LEU 601 HB1 LEU 601 6.369 -9.812 1.717 729 HG LEU 601 HG LEU 601 6.979 -6.862 1.747 730 HD11 LEU 601 HD11 LEU 601 5.837 -8.680 -0.365 731 HD12 LEU 601 HD12 LEU 601 7.479 -8.040 -0.328 732 HD13 LEU 601 HD13 LEU 601 6.110 -6.946 -0.525 733 HD21 LEU 601 HD21 LEU 601 4.570 -6.535 1.324 734 HD22 LEU 601 HD22 LEU 601 4.900 -7.177 2.931 735 HD23 LEU 601 HD23 LEU 601 4.301 -8.245 1.661 736 H LYS 602 HN LYS 602 5.249 -11.041 4.036 737 HA LYS 602 HA LYS 602 7.357 -12.582 5.372 738 HB2 LYS 602 HB2 LYS 602 4.413 -13.229 5.152 739 HB3 LYS 602 HB3 LYS 602 5.582 -13.966 6.236 740 HG2 LYS 602 HG2 LYS 602 5.806 -11.859 7.441 741 HG3 LYS 602 HG3 LYS 602 4.649 -11.104 6.342 742 HD2 LYS 602 HD2 LYS 602 2.981 -12.833 7.053 743 HD3 LYS 602 HD3 LYS 602 4.136 -13.360 8.276 744 HE2 LYS 602 HE2 LYS 602 2.918 -10.610 8.039 745 HE3 LYS 602 HE3 LYS 602 2.490 -11.838 9.229 746 HZ1 LYS 602 HZ1 LYS 602 5.101 -10.455 8.979 747 HZ2 LYS 602 HZ2 LYS 602 4.789 -11.721 10.054 748 HZ3 LYS 602 HZ3 LYS 602 3.965 -10.258 10.213 749 H LYS 603 HN LYS 603 6.477 -12.054 2.374 750 HA LYS 603 HA LYS 603 6.495 -14.861 1.497 751 HB2 LYS 603 HB2 LYS 603 5.656 -12.383 -0.030 752 HB3 LYS 603 HB3 LYS 603 5.537 -14.041 -0.605 753 HG2 LYS 603 HG2 LYS 603 3.920 -14.552 1.132 754 HG3 LYS 603 HG3 LYS 603 4.071 -12.919 1.776 755 HD2 LYS 603 HD2 LYS 603 2.077 -13.043 0.440 756 HD3 LYS 603 HD3 LYS 603 3.260 -12.044 -0.405 757 HE2 LYS 603 HE2 LYS 603 2.152 -13.548 -1.957 758 HE3 LYS 603 HE3 LYS 603 3.859 -13.963 -1.811 759 HZ1 LYS 603 HZ1 LYS 603 3.287 -15.778 -0.359 760 HZ2 LYS 603 HZ2 LYS 603 2.393 -15.913 -1.788 761 HZ3 LYS 603 HZ3 LYS 603 1.655 -15.342 -0.379 762 HA PRO 604 HA PRO 604 10.573 -14.271 -0.038 763 HB2 PRO 604 HB2 PRO 604 10.706 -16.169 -1.948 764 HB3 PRO 604 HB3 PRO 604 10.618 -16.564 -0.228 765 HG2 PRO 604 HG2 PRO 604 8.444 -16.564 -2.286 766 HG3 PRO 604 HG3 PRO 604 8.776 -17.748 -1.010 767 HD2 PRO 604 HD2 PRO 604 6.860 -15.822 -0.800 768 HD3 PRO 604 HD3 PRO 604 7.717 -16.501 0.596 769 H GLY 605 HN GLY 605 9.416 -12.147 -0.964 770 HA2 GLY 605 HA2 GLY 605 10.518 -11.902 -3.639 771 HA3 GLY 605 HA1 GLY 605 8.795 -11.568 -3.497 772 H LYS 606 HN LYS 606 10.317 -9.559 -4.378 773 HA LYS 606 HA LYS 606 10.598 -7.333 -4.084 774 HB2 LYS 606 HB2 LYS 606 9.323 -7.930 -1.427 775 HB3 LYS 606 HB3 LYS 606 9.876 -6.317 -1.851 776 HG2 LYS 606 HG2 LYS 606 7.946 -7.851 -3.562 777 HG3 LYS 606 HG3 LYS 606 7.427 -6.831 -2.220 778 HD2 LYS 606 HD2 LYS 606 8.588 -4.921 -3.263 779 HD3 LYS 606 HD3 LYS 606 9.012 -5.953 -4.631 780 HE2 LYS 606 HE2 LYS 606 6.700 -6.260 -5.187 781 HE3 LYS 606 HE3 LYS 606 6.190 -5.413 -3.726 782 HZ1 LYS 606 HZ1 LYS 606 6.069 -4.033 -5.736 783 HZ2 LYS 606 HZ2 LYS 606 7.742 -4.175 -5.931 784 HZ3 LYS 606 HZ3 LYS 606 7.112 -3.387 -4.573 785 H ASN 607 HN ASN 607 12.217 -6.010 -3.567 786 HA ASN 607 HA ASN 607 14.158 -5.208 -2.744 787 HB2 ASN 607 HB2 ASN 607 12.781 -5.254 -0.620 788 HB3 ASN 607 HB3 ASN 607 13.580 -6.773 -0.229 789 HD21 ASN 607 HD21 ASN 607 15.766 -6.764 0.322 790 HD22 ASN 607 HD22 ASN 607 16.597 -5.304 0.749 791 H VAL 608 HN VAL 608 15.227 -6.543 -4.341 792 HA VAL 608 HA VAL 608 16.541 -8.958 -3.602 793 HB VAL 608 HB VAL 608 17.334 -6.938 -5.718 794 HG11 VAL 608 HG11 VAL 608 19.160 -8.438 -5.173 795 HG12 VAL 608 HG12 VAL 608 18.513 -8.819 -6.767 796 HG13 VAL 608 HG13 VAL 608 18.106 -9.834 -5.384 797 HG21 VAL 608 HG21 VAL 608 15.064 -7.752 -6.064 798 HG22 VAL 608 HG22 VAL 608 15.632 -9.417 -5.952 799 HG23 VAL 608 HG23 VAL 608 16.155 -8.395 -7.291 800 H ALA 609 HN ALA 609 17.616 -5.589 -3.878 801 HA ALA 609 HA ALA 609 19.411 -6.068 -1.602 802 HB1 ALA 609 HB1 ALA 609 19.966 -4.400 -4.050 803 HB2 ALA 609 HB2 ALA 609 20.805 -5.871 -3.561 804 HB3 ALA 609 HB3 ALA 609 20.964 -4.404 -2.596 805 H ALA 610 HN ALA 610 18.100 -3.428 -3.593 806 HA ALA 610 HA ALA 610 16.411 -2.401 -1.567 807 HB1 ALA 610 HB1 ALA 610 18.876 -0.746 -2.108 808 HB2 ALA 610 HB2 ALA 610 18.609 -1.688 -0.643 809 HB3 ALA 610 HB3 ALA 610 17.539 -0.341 -1.030 810 H ILE 611 HN ILE 611 14.809 -1.400 -2.640 811 HA ILE 611 HA ILE 611 15.133 -0.714 -5.422 812 HB ILE 611 HB ILE 611 12.736 -0.261 -3.626 813 HG12 ILE 611 HG12 ILE 611 13.378 -2.655 -3.823 814 HG13 ILE 611 HG13 ILE 611 11.819 -2.307 -4.563 815 HG21 ILE 611 HG21 ILE 611 12.983 -0.249 -6.636 816 HG22 ILE 611 HG22 ILE 611 12.687 1.152 -5.604 817 HG23 ILE 611 HG23 ILE 611 11.472 -0.120 -5.734 818 HD11 ILE 611 HD11 ILE 611 12.877 -2.288 -6.766 819 HD12 ILE 611 HD12 ILE 611 13.109 -3.824 -5.933 820 HD13 ILE 611 HD13 ILE 611 14.430 -2.659 -6.017 821 H ILE 612 HN ILE 612 16.809 0.886 -5.052 822 HA ILE 612 HA ILE 612 15.718 3.494 -4.220 823 HB ILE 612 HB ILE 612 18.551 2.487 -3.970 824 HG12 ILE 612 HG12 ILE 612 16.574 3.204 -1.802 825 HG13 ILE 612 HG13 ILE 612 16.902 1.557 -2.329 826 HG21 ILE 612 HG21 ILE 612 18.992 4.608 -2.806 827 HG22 ILE 612 HG22 ILE 612 17.344 5.133 -3.150 828 HG23 ILE 612 HG23 ILE 612 18.481 4.875 -4.473 829 HD11 ILE 612 HD11 ILE 612 18.886 3.450 -1.095 830 HD12 ILE 612 HD12 ILE 612 19.224 1.801 -1.624 831 HD13 ILE 612 HD13 ILE 612 18.102 2.088 -0.294 832 H GLN 613 HN GLN 613 15.160 4.241 -6.228 833 HA GLN 613 HA GLN 613 17.308 4.415 -8.235 834 HB2 GLN 613 HB2 GLN 613 14.317 4.697 -8.588 835 HB3 GLN 613 HB3 GLN 613 15.508 4.833 -9.874 836 HG2 GLN 613 HG2 GLN 613 14.988 2.369 -8.226 837 HG3 GLN 613 HG3 GLN 613 14.406 2.653 -9.864 838 HE21 GLN 613 HE21 GLN 613 15.855 2.588 -11.575 839 HE22 GLN 613 HE22 GLN 613 17.428 1.887 -11.422 840 H ASP 614 HN ASP 614 15.745 6.122 -5.885 841 HA ASP 614 HA ASP 614 16.741 8.655 -6.815 842 HB2 ASP 614 HB2 ASP 614 13.824 8.269 -6.150 843 HB3 ASP 614 HB3 ASP 614 14.600 9.830 -6.308 844 H ILE 615 HN ILE 615 17.929 9.088 -5.177 845 HA ILE 615 HA ILE 615 17.729 8.094 -2.575 846 HB ILE 615 HB ILE 615 19.132 10.640 -3.400 847 HG12 ILE 615 HG12 ILE 615 19.848 8.782 -4.817 848 HG13 ILE 615 HG13 ILE 615 21.130 9.231 -3.698 849 HG21 ILE 615 HG21 ILE 615 19.610 8.775 -1.078 850 HG22 ILE 615 HG22 ILE 615 18.916 10.393 -0.988 851 HG23 ILE 615 HG23 ILE 615 20.594 10.180 -1.488 852 HD11 ILE 615 HD11 ILE 615 20.988 6.839 -3.878 853 HD12 ILE 615 HD12 ILE 615 19.279 6.877 -3.448 854 HD13 ILE 615 HD13 ILE 615 20.496 7.342 -2.261 855 H HIS 616 HN HIS 616 15.812 8.438 -1.533 856 HA HIS 616 HA HIS 616 15.209 11.251 -0.890 857 HB2 HIS 616 HB2 HIS 616 13.361 8.898 -1.218 858 HB3 HIS 616 HB3 HIS 616 12.883 10.315 -0.294 859 HD1 HIS 616 HD1 HIS 616 12.177 12.379 -1.583 860 HD2 HIS 616 HD2 HIS 616 13.657 9.351 -4.020 861 HE1 HIS 616 HE1 HIS 616 11.617 13.066 -3.935 862 HE2 HIS 616 HE2 HIS 616 12.310 11.108 -5.356 863 H SER 617 HN SER 617 16.592 8.546 0.316 864 HA SER 617 HA SER 617 16.603 9.473 2.981 865 HB2 SER 617 HB2 SER 617 14.312 8.543 2.968 866 HB3 SER 617 HB3 SER 617 14.962 6.974 2.493 867 HG SER 617 HG SER 617 15.602 8.371 4.887 868 H GLN 618 HN GLN 618 16.581 6.234 1.494 869 HA GLN 618 HA GLN 618 19.071 5.589 2.819 870 HB2 GLN 618 HB2 GLN 618 17.244 4.006 1.009 871 HB3 GLN 618 HB3 GLN 618 18.737 3.364 1.678 872 HG2 GLN 618 HG2 GLN 618 16.422 4.385 3.306 873 HG3 GLN 618 HG3 GLN 618 16.733 2.689 2.936 874 HE21 GLN 618 HE21 GLN 618 18.462 1.644 3.913 875 HE22 GLN 618 HE22 GLN 618 19.257 2.291 5.309 876 H ARG 619 HN ARG 619 21.003 5.116 1.814 877 HA ARG 619 HA ARG 619 21.427 6.380 -0.751 878 HB2 ARG 619 HB2 ARG 619 23.293 5.096 1.236 879 HB3 ARG 619 HB3 ARG 619 23.838 5.628 -0.347 880 HG2 ARG 619 HG2 ARG 619 24.358 7.341 1.207 881 HG3 ARG 619 HG3 ARG 619 23.017 7.912 0.218 882 HD2 ARG 619 HD2 ARG 619 21.519 7.024 2.110 883 HD3 ARG 619 HD3 ARG 619 22.997 6.993 3.072 884 HE ARG 619 HE ARG 619 22.683 9.511 1.818 885 HH11 ARG 619 HH11 ARG 619 21.463 7.572 4.469 886 HH12 ARG 619 HH12 ARG 619 20.914 8.940 5.384 887 HH21 ARG 619 HH21 ARG 619 21.947 11.312 3.010 888 HH22 ARG 619 HH22 ARG 619 21.188 11.070 4.550 889 H GLU 620 HN GLU 620 22.240 5.366 -2.584 890 HA GLU 620 HA GLU 620 20.856 2.946 -3.118 891 HB2 GLU 620 HB2 GLU 620 21.770 3.160 -5.384 892 HB3 GLU 620 HB3 GLU 620 21.079 4.672 -4.819 893 HG2 GLU 620 HG2 GLU 620 24.012 4.166 -4.543 894 HG3 GLU 620 HG3 GLU 620 23.339 4.674 -6.088 895 H ARG 621 HN ARG 621 21.767 1.006 -4.003 896 HA ARG 621 HA ARG 621 24.205 0.244 -2.579 897 HB2 ARG 621 HB2 ARG 621 22.235 -1.536 -4.025 898 HB3 ARG 621 HB3 ARG 621 23.504 -2.046 -2.923 899 HG2 ARG 621 HG2 ARG 621 21.044 -0.464 -2.213 900 HG3 ARG 621 HG3 ARG 621 21.355 -2.158 -1.836 901 HD2 ARG 621 HD2 ARG 621 22.903 0.220 -0.807 902 HD3 ARG 621 HD3 ARG 621 21.759 -0.757 0.111 903 HE ARG 621 HE ARG 621 24.022 -2.173 -1.039 904 HH11 ARG 621 HH11 ARG 621 22.647 -0.608 1.776 905 HH12 ARG 621 HH12 ARG 621 23.719 -1.391 2.890 906 HH21 ARG 621 HH21 ARG 621 25.425 -3.209 0.414 907 HH22 ARG 621 HH22 ARG 621 25.295 -2.886 2.115
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