NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
572805 | 2m5f | 19052 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 507 1HT ALA 507 -18.604 6.594 2.741 2 H2 ALA 507 2HT ALA 507 -18.945 5.203 1.795 3 H3 ALA 507 3HT ALA 507 -18.091 6.524 1.108 4 HA ALA 507 HA ALA 507 -16.205 6.103 2.276 5 HB1 ALA 507 2HB ALA 507 -16.149 5.336 4.372 6 HB2 ALA 507 3HB ALA 507 -17.132 3.925 3.978 7 HB3 ALA 507 1HB ALA 507 -17.906 5.469 4.333 8 H GLN 508 H GLN 508 -14.791 4.111 2.289 9 HA GLN 508 HA GLN 508 -15.086 2.717 -0.121 10 HB2 GLN 508 2HB GLN 508 -13.423 1.759 2.204 11 HB3 GLN 508 1HB GLN 508 -13.131 1.508 0.488 12 HG2 GLN 508 2HG GLN 508 -13.197 4.274 0.817 13 HG3 GLN 508 1HG GLN 508 -12.289 3.661 2.199 14 HE21 GLN 508 1HE2 GLN 508 -10.216 3.239 1.908 15 HE22 GLN 508 2HE2 GLN 508 -9.421 3.071 0.384 16 HA PRO 509 HA PRO 509 -17.397 -0.846 1.170 17 HB2 PRO 509 2HB PRO 509 -16.736 -2.575 -0.779 18 HB3 PRO 509 1HB PRO 509 -17.627 -1.088 -1.118 19 HG2 PRO 509 2HG PRO 509 -14.839 -1.780 -1.748 20 HG3 PRO 509 1HG PRO 509 -15.880 -0.545 -2.471 21 HD2 PRO 509 2HD PRO 509 -13.856 -0.238 -0.418 22 HD3 PRO 509 1HD PRO 509 -14.797 1.022 -1.243 23 H LYS 510 H LYS 510 -14.502 -0.619 2.213 24 HA LYS 510 HA LYS 510 -13.022 -1.853 3.418 25 HB2 LYS 510 2HB LYS 510 -15.622 -3.277 3.777 26 HB3 LYS 510 1HB LYS 510 -14.159 -3.993 4.435 27 HG2 LYS 510 2HG LYS 510 -13.843 -1.568 5.428 28 HG3 LYS 510 1HG LYS 510 -15.598 -1.530 5.242 29 HD2 LYS 510 2HD LYS 510 -15.916 -3.292 6.731 30 HD3 LYS 510 1HD LYS 510 -14.251 -3.853 6.572 31 HE2 LYS 510 2HE LYS 510 -15.106 -1.280 7.892 32 HE3 LYS 510 1HE LYS 510 -14.680 -2.765 8.740 33 HZ1 LYS 510 3HZ LYS 510 -12.915 -1.017 7.130 34 HZ2 LYS 510 1HZ LYS 510 -12.470 -2.590 7.569 35 HZ3 LYS 510 2HZ LYS 510 -12.767 -1.430 8.764 36 H CYS 511 H CYS 511 -12.058 -2.217 1.184 37 HA CYS 511 HA CYS 511 -11.742 -5.106 0.806 38 HB2 CYS 511 2HB CYS 511 -11.736 -4.798 -1.654 39 HB3 CYS 511 1HB CYS 511 -13.295 -4.428 -0.925 40 H ASN 512 H ASN 512 -10.170 -2.752 1.949 41 HA ASN 512 HA ASN 512 -7.867 -2.610 0.196 42 HB2 ASN 512 2HB ASN 512 -6.916 -1.146 1.927 43 HB3 ASN 512 1HB ASN 512 -8.533 -0.622 1.469 44 HD21 ASN 512 1HD2 ASN 512 -10.219 -0.843 2.923 45 HD22 ASN 512 2HD2 ASN 512 -9.957 -1.154 4.602 46 HA PRO 513 HA PRO 513 -5.638 -5.863 2.137 47 HB2 PRO 513 2HB PRO 513 -3.063 -5.085 1.828 48 HB3 PRO 513 1HB PRO 513 -4.073 -5.639 0.491 49 HG2 PRO 513 2HG PRO 513 -3.227 -2.893 1.208 50 HG3 PRO 513 1HG PRO 513 -3.596 -3.583 -0.376 51 HD2 PRO 513 2HD PRO 513 -5.278 -1.952 1.160 52 HD3 PRO 513 1HD PRO 513 -5.752 -2.904 -0.259 53 H ASN 514 H ASN 514 -3.398 -3.284 3.016 54 HA ASN 514 HA ASN 514 -3.982 -3.757 5.861 55 HB2 ASN 514 2HB ASN 514 -1.476 -4.130 4.360 56 HB3 ASN 514 1HB ASN 514 -1.313 -3.257 5.878 57 HD21 ASN 514 1HD2 ASN 514 -2.083 -6.283 4.377 58 HD22 ASN 514 2HD2 ASN 514 -2.075 -7.239 5.816 59 H LEU 515 H LEU 515 -1.742 -1.823 3.955 60 HA LEU 515 HA LEU 515 -0.996 0.315 4.228 61 HB2 LEU 515 2HB LEU 515 -2.615 1.872 3.461 62 HB3 LEU 515 1HB LEU 515 -2.901 0.332 2.668 63 HG LEU 515 HG LEU 515 -4.545 0.199 4.864 64 HD11 LEU 515 1HD1 LEU 515 -5.294 2.196 5.503 65 HD12 LEU 515 2HD1 LEU 515 -5.480 2.740 3.837 66 HD13 LEU 515 3HD1 LEU 515 -3.920 2.889 4.644 67 HD21 LEU 515 3HD2 LEU 515 -5.316 1.201 2.134 68 HD22 LEU 515 1HD2 LEU 515 -6.337 0.342 3.286 69 HD23 LEU 515 2HD2 LEU 515 -4.983 -0.487 2.519 70 H HIS 516 H HIS 516 -1.033 -0.771 6.699 71 HA HIS 516 HA HIS 516 -2.436 1.074 8.468 72 HB2 HIS 516 2HB HIS 516 -1.169 -1.588 8.759 73 HB3 HIS 516 1HB HIS 516 -1.087 -0.528 10.163 74 HD1 HIS 516 1HD HIS 516 -3.777 0.723 10.303 75 HD2 HIS 516 2HD HIS 516 -3.252 -3.247 9.192 76 HE1 HIS 516 1HE HIS 516 -5.980 -0.400 10.761 77 HE2 HIS 516 2HE HIS 516 -5.613 -2.819 10.158 78 H TYR 517 H TYR 517 0.569 0.917 6.932 79 HA TYR 517 HA TYR 517 1.931 2.302 9.120 80 HB2 TYR 517 2HB TYR 517 3.960 1.769 8.123 81 HB3 TYR 517 1HB TYR 517 2.969 0.385 7.687 82 HD1 TYR 517 1HD TYR 517 3.807 3.764 6.302 83 HD2 TYR 517 2HD TYR 517 3.162 -0.369 5.515 84 HE1 TYR 517 1HE TYR 517 4.322 4.142 3.940 85 HE2 TYR 517 2HE TYR 517 3.679 0.001 3.145 86 HH TYR 517 HH TYR 517 3.747 1.770 1.522 87 H TRP 518 H TRP 518 0.477 2.880 6.035 88 HA TRP 518 HA TRP 518 1.411 5.661 6.099 89 HB2 TRP 518 2HB TRP 518 1.811 3.997 4.062 90 HB3 TRP 518 1HB TRP 518 0.184 4.519 3.647 91 HD1 TRP 518 HD TRP 518 0.117 6.563 2.133 92 HE1 TRP 518 1HE TRP 518 1.674 8.548 1.625 93 HE3 TRP 518 3HE TRP 518 3.849 5.537 5.468 94 HZ2 TRP 518 2HZ TRP 518 4.158 9.548 2.522 95 HZ3 TRP 518 3HZ TRP 518 5.781 7.056 5.582 96 HH2 TRP 518 HH TRP 518 5.931 9.019 4.138 97 H THR 519 H THR 519 -0.012 7.150 6.480 98 HA THR 519 HA THR 519 -2.331 7.253 7.552 99 HB THR 519 HB THR 519 -1.475 9.296 6.794 100 HG1 THR 519 1HG THR 519 -3.791 8.953 5.201 101 HG21 THR 519 3HG2 THR 519 -0.653 9.746 4.783 102 HG22 THR 519 1HG2 THR 519 -2.092 9.141 3.961 103 HG23 THR 519 2HG2 THR 519 -0.824 8.020 4.460 104 H THR 520 H THR 520 -2.315 6.807 3.999 105 HA THR 520 HA THR 520 -4.223 4.778 3.950 106 HB THR 520 HB THR 520 -5.602 6.806 4.817 107 HG1 THR 520 1HG THR 520 -6.529 5.362 2.564 108 HG21 THR 520 3HG2 THR 520 -6.663 8.135 3.076 109 HG22 THR 520 1HG2 THR 520 -5.583 7.432 1.870 110 HG23 THR 520 2HG2 THR 520 -4.930 8.450 3.155 111 H GLN 521 H GLN 521 -3.264 7.733 2.238 112 HA GLN 521 HA GLN 521 -3.827 7.159 -0.343 113 HB2 GLN 521 2HB GLN 521 -1.828 8.461 -0.986 114 HB3 GLN 521 1HB GLN 521 -2.771 9.237 0.281 115 HG2 GLN 521 2HG GLN 521 -1.128 8.117 1.903 116 HG3 GLN 521 1HG GLN 521 -0.118 7.870 0.481 117 HE21 GLN 521 1HE2 GLN 521 0.691 9.690 -0.625 118 HE22 GLN 521 2HE2 GLN 521 0.818 11.227 0.153 119 H ASP 522 H ASP 522 -2.640 6.308 -2.123 120 HA ASP 522 HA ASP 522 -1.849 3.704 -1.897 121 HB2 ASP 522 2HB ASP 522 -1.118 5.778 -3.957 122 HB3 ASP 522 1HB ASP 522 -0.651 4.087 -4.116 123 H GLU 523 H GLU 523 -0.442 3.286 -0.244 124 HA GLU 523 HA GLU 523 2.192 4.543 -0.281 125 HB2 GLU 523 2HB GLU 523 2.522 3.528 1.886 126 HB3 GLU 523 1HB GLU 523 0.990 4.378 1.848 127 HG2 GLU 523 2HG GLU 523 1.100 1.438 1.332 128 HG3 GLU 523 1HG GLU 523 1.124 2.065 2.979 129 H GLY 524 H GLY 524 2.153 3.265 -2.442 130 HA2 GLY 524 2HA GLY 524 3.872 1.806 -3.330 131 HA3 GLY 524 1HA GLY 524 3.583 0.732 -1.964 132 H ALA 525 H ALA 525 0.766 2.107 -3.181 133 HA ALA 525 HA ALA 525 -0.337 -0.364 -3.977 134 HB1 ALA 525 1HB ALA 525 -1.443 2.345 -4.667 135 HB2 ALA 525 2HB ALA 525 -1.553 1.654 -3.048 136 HB3 ALA 525 3HB ALA 525 -2.322 0.838 -4.410 137 H ALA 526 H ALA 526 1.759 -0.496 -5.519 138 HA ALA 526 HA ALA 526 2.533 -0.751 -7.629 139 HB1 ALA 526 1HB ALA 526 0.502 -2.052 -7.907 140 HB2 ALA 526 2HB ALA 526 0.882 -1.177 -9.389 141 HB3 ALA 526 3HB ALA 526 -0.395 -0.592 -8.324 142 H ILE 527 H ILE 527 3.614 1.221 -7.570 143 HA ILE 527 HA ILE 527 3.054 2.950 -9.709 144 HB ILE 527 HB ILE 527 1.384 3.853 -8.280 145 HG12 ILE 527 2HG1 ILE 527 3.651 5.794 -7.929 146 HG13 ILE 527 1HG1 ILE 527 3.058 5.399 -9.540 147 HG21 ILE 527 1HG2 ILE 527 2.614 2.909 -6.225 148 HG22 ILE 527 2HG2 ILE 527 1.605 4.348 -6.050 149 HG23 ILE 527 3HG2 ILE 527 3.360 4.508 -6.157 150 HD11 ILE 527 3HD1 ILE 527 0.858 6.030 -7.823 151 HD12 ILE 527 1HD1 ILE 527 1.381 6.818 -9.312 152 HD13 ILE 527 2HD1 ILE 527 2.064 7.315 -7.764 153 H GLY 528 H GLY 528 4.583 2.854 -6.501 154 HA2 GLY 528 2HA GLY 528 6.752 3.159 -5.838 155 HA3 GLY 528 1HA GLY 528 7.204 2.726 -7.474 156 H ALA 529 H ALA 529 5.501 5.197 -8.343 157 HA ALA 529 HA ALA 529 6.097 7.258 -9.134 158 HB1 ALA 529 1HB ALA 529 5.429 7.412 -6.557 159 HB2 ALA 529 2HB ALA 529 5.900 8.823 -7.506 160 HB3 ALA 529 3HB ALA 529 7.076 8.037 -6.452 161 H ALA 530 H ALA 530 8.203 5.287 -9.354 162 HA ALA 530 HA ALA 530 10.317 6.709 -10.317 163 HB1 ALA 530 1HB ALA 530 11.735 5.893 -8.009 164 HB2 ALA 530 2HB ALA 530 10.338 6.811 -7.451 165 HB3 ALA 530 3HB ALA 530 11.469 7.537 -8.593 166 H TRP 531 H TRP 531 9.114 4.486 -11.105 167 HA TRP 531 HA TRP 531 9.200 2.175 -11.340 168 HB2 TRP 531 2HB TRP 531 11.553 1.645 -12.353 169 HB3 TRP 531 1HB TRP 531 10.410 2.658 -13.230 170 HD1 TRP 531 HD TRP 531 13.052 3.483 -10.508 171 HE1 TRP 531 1HE TRP 531 14.468 5.462 -11.351 172 HE3 TRP 531 3HE TRP 531 10.865 4.152 -15.077 173 HZ2 TRP 531 2HZ TRP 531 14.634 7.090 -13.653 174 HZ3 TRP 531 3HZ TRP 531 11.710 5.940 -16.541 175 HH2 TRP 531 HH TRP 531 13.555 7.379 -15.841 176 H ILE 532 H ILE 532 9.440 2.650 -8.753 177 HA ILE 532 HA ILE 532 11.356 0.609 -7.934 178 HB ILE 532 HB ILE 532 12.224 2.876 -7.525 179 HG12 ILE 532 2HG1 ILE 532 11.510 1.500 -4.927 180 HG13 ILE 532 1HG1 ILE 532 12.737 0.894 -6.029 181 HG21 ILE 532 1HG2 ILE 532 9.717 3.593 -7.066 182 HG22 ILE 532 2HG2 ILE 532 11.087 4.486 -6.392 183 HG23 ILE 532 3HG2 ILE 532 10.213 3.325 -5.390 184 HD11 ILE 532 3HD1 ILE 532 13.530 2.263 -4.057 185 HD12 ILE 532 1HD1 ILE 532 12.839 3.661 -4.883 186 HD13 ILE 532 2HD1 ILE 532 14.131 2.738 -5.649 187 HA PRO 533 HA PRO 533 6.973 0.727 -5.842 188 HB2 PRO 533 2HB PRO 533 5.490 -0.817 -7.546 189 HB3 PRO 533 1HB PRO 533 5.483 0.947 -7.571 190 HG2 PRO 533 2HG PRO 533 6.975 -0.962 -9.314 191 HG3 PRO 533 1HG PRO 533 6.147 0.543 -9.749 192 HD2 PRO 533 2HD PRO 533 8.821 0.392 -9.468 193 HD3 PRO 533 1HD PRO 533 7.897 1.854 -9.068 194 H TYR 534 H TYR 534 9.029 -1.430 -7.473 195 HA TYR 534 HA TYR 534 8.178 -3.929 -6.602 196 HB2 TYR 534 2HB TYR 534 10.984 -2.936 -7.172 197 HB3 TYR 534 1HB TYR 534 10.501 -4.627 -7.080 198 HD1 TYR 534 2HD TYR 534 10.146 -1.498 -9.088 199 HD2 TYR 534 1HD TYR 534 9.447 -5.709 -8.907 200 HE1 TYR 534 2HE TYR 534 9.594 -1.516 -11.477 201 HE2 TYR 534 1HE TYR 534 8.897 -5.719 -11.300 202 HH TYR 534 HH TYR 534 8.175 -3.020 -13.035 203 H PHE 535 H PHE 535 10.758 -1.863 -5.252 204 HA PHE 535 HA PHE 535 10.140 -2.970 -2.602 205 HB2 PHE 535 2HB PHE 535 12.695 -2.703 -2.189 206 HB3 PHE 535 1HB PHE 535 12.099 -4.128 -3.031 207 HD1 PHE 535 2HD PHE 535 12.110 -4.042 -5.607 208 HD2 PHE 535 1HD PHE 535 14.355 -1.398 -3.140 209 HE1 PHE 535 2HE PHE 535 13.603 -3.550 -7.499 210 HE2 PHE 535 1HE PHE 535 15.852 -0.901 -5.028 211 HZ PHE 535 HZ PHE 535 15.477 -1.979 -7.211 212 H GLY 536 H GLY 536 9.775 -0.333 -4.231 213 HA2 GLY 536 2HA GLY 536 11.244 1.688 -2.919 214 HA3 GLY 536 1HA GLY 536 9.726 1.919 -3.779 215 HA PRO 537 HA PRO 537 8.063 2.656 0.311 216 HB2 PRO 537 2HB PRO 537 5.568 3.226 -0.351 217 HB3 PRO 537 1HB PRO 537 6.869 4.271 -0.953 218 HG2 PRO 537 2HG PRO 537 5.530 1.965 -2.341 219 HG3 PRO 537 1HG PRO 537 5.741 3.626 -2.940 220 HD2 PRO 537 2HD PRO 537 7.417 1.595 -3.589 221 HD3 PRO 537 1HD PRO 537 7.980 3.275 -3.427 222 H ALA 538 H ALA 538 8.257 -0.040 -0.989 223 HA ALA 538 HA ALA 538 6.065 -1.369 0.395 224 HB1 ALA 538 1HB ALA 538 6.018 -3.042 -1.321 225 HB2 ALA 538 2HB ALA 538 7.439 -2.347 -2.107 226 HB3 ALA 538 3HB ALA 538 5.910 -1.467 -2.107 227 H ALA 539 H ALA 539 9.403 -0.984 -0.281 228 HA ALA 539 HA ALA 539 10.068 -2.787 1.858 229 HB1 ALA 539 1HB ALA 539 9.986 -4.322 0.004 230 HB2 ALA 539 2HB ALA 539 11.649 -4.124 0.558 231 HB3 ALA 539 3HB ALA 539 11.105 -3.311 -0.909 232 H GLU 540 H GLU 540 10.469 0.146 0.806 233 HA GLU 540 HA GLU 540 13.339 0.423 0.749 234 HB2 GLU 540 2HB GLU 540 12.900 2.831 0.929 235 HB3 GLU 540 1HB GLU 540 11.939 2.099 -0.345 236 HG2 GLU 540 2HG GLU 540 10.151 3.039 0.557 237 HG3 GLU 540 1HG GLU 540 10.350 1.963 1.939 238 H GLY 541 H GLY 541 13.143 -1.074 2.765 239 HA2 GLY 541 2HA GLY 541 14.045 -1.064 4.957 240 HA3 GLY 541 1HA GLY 541 13.531 0.614 5.126 241 H ILE 542 H ILE 542 11.013 -0.650 3.670 242 HA ILE 542 HA ILE 542 9.345 -0.725 5.945 243 HB ILE 542 HB ILE 542 9.052 -0.871 3.033 244 HG12 ILE 542 2HG1 ILE 542 7.129 0.086 5.148 245 HG13 ILE 542 1HG1 ILE 542 8.506 1.037 4.599 246 HG21 ILE 542 1HG2 ILE 542 8.065 -2.988 3.332 247 HG22 ILE 542 2HG2 ILE 542 6.727 -1.841 3.209 248 HG23 ILE 542 3HG2 ILE 542 7.205 -2.471 4.784 249 HD11 ILE 542 3HD1 ILE 542 7.504 0.635 2.246 250 HD12 ILE 542 1HD1 ILE 542 6.804 1.859 3.305 251 HD13 ILE 542 2HD1 ILE 542 6.026 0.285 3.141 252 H TYR 543 H TYR 543 10.638 -3.224 3.782 253 HA TYR 543 HA TYR 543 9.309 -5.457 4.540 254 HB2 TYR 543 2HB TYR 543 11.331 -6.752 4.034 255 HB3 TYR 543 1HB TYR 543 11.057 -5.481 2.847 256 HD1 TYR 543 2HD TYR 543 12.367 -3.333 3.090 257 HD2 TYR 543 1HD TYR 543 13.353 -6.880 5.195 258 HE1 TYR 543 2HE TYR 543 14.641 -2.461 3.466 259 HE2 TYR 543 1HE TYR 543 15.631 -6.031 5.586 260 HH TYR 543 HH TYR 543 16.497 -2.831 5.143 261 H ALA 544 H ALA 544 11.590 -3.681 6.475 262 HA ALA 544 HA ALA 544 12.337 -5.534 8.389 263 HB1 ALA 544 1HB ALA 544 11.638 -2.649 8.885 264 HB2 ALA 544 2HB ALA 544 13.181 -3.223 8.252 265 HB3 ALA 544 3HB ALA 544 12.675 -3.667 9.882 266 H GLU 545 H GLU 545 9.238 -4.291 7.727 267 HA GLU 545 HA GLU 545 7.910 -4.333 10.148 268 HB2 GLU 545 2HB GLU 545 5.916 -5.030 8.679 269 HB3 GLU 545 1HB GLU 545 6.720 -3.520 8.276 270 HG2 GLU 545 2HG GLU 545 6.610 -4.379 6.197 271 HG3 GLU 545 1HG GLU 545 8.106 -5.163 6.694 272 H GLY 546 H GLY 546 8.544 -6.907 7.843 273 HA2 GLY 546 2HA GLY 546 8.422 -9.178 7.991 274 HA3 GLY 546 1HA GLY 546 9.032 -8.927 9.614 275 H LEU 547 H LEU 547 5.861 -7.759 8.620 276 HA LEU 547 HA LEU 547 4.576 -10.056 9.851 277 HB2 LEU 547 2HB LEU 547 3.493 -8.960 11.574 278 HB3 LEU 547 1HB LEU 547 5.113 -8.297 11.625 279 HG LEU 547 HG LEU 547 2.849 -6.876 10.237 280 HD11 LEU 547 1HD1 LEU 547 2.301 -5.727 12.179 281 HD12 LEU 547 2HD1 LEU 547 3.770 -6.238 13.013 282 HD13 LEU 547 3HD1 LEU 547 2.470 -7.396 12.725 283 HD21 LEU 547 3HD2 LEU 547 4.265 -5.095 10.074 284 HD22 LEU 547 1HD2 LEU 547 5.435 -6.411 9.987 285 HD23 LEU 547 2HD2 LEU 547 5.186 -5.555 11.506 286 H MET 548 H MET 548 4.043 -6.864 8.361 287 HA MET 548 HA MET 548 2.385 -7.868 6.336 288 HB2 MET 548 2HB MET 548 0.185 -7.110 7.035 289 HB3 MET 548 1HB MET 548 0.811 -8.291 8.177 290 HG2 MET 548 2HG MET 548 1.618 -5.770 9.117 291 HG3 MET 548 1HG MET 548 -0.070 -5.613 8.637 292 HE1 MET 548 3HE MET 548 0.366 -4.906 11.316 293 HE2 MET 548 1HE MET 548 -0.409 -5.991 12.469 294 HE3 MET 548 2HE MET 548 -1.315 -5.384 11.082 295 H HIS 549 H HIS 549 3.502 -5.187 8.243 296 HA HIS 549 HA HIS 549 2.442 -3.006 6.954 297 HB2 HIS 549 2HB HIS 549 4.722 -3.538 8.639 298 HB3 HIS 549 1HB HIS 549 5.115 -2.314 7.436 299 HD1 HIS 549 1HD HIS 549 1.596 -2.334 8.479 300 HD2 HIS 549 2HD HIS 549 5.123 -0.501 9.687 301 HE1 HIS 549 1HE HIS 549 0.891 -0.439 9.958 302 HE2 HIS 549 2HE HIS 549 3.043 0.591 10.770 303 H ASN 550 H ASN 550 4.587 -5.334 5.605 304 HA ASN 550 HA ASN 550 5.693 -3.630 3.585 305 HB2 ASN 550 2HB ASN 550 6.592 -5.715 2.631 306 HB3 ASN 550 1HB ASN 550 6.932 -5.585 4.354 307 HD21 ASN 550 1HD2 ASN 550 7.201 -7.995 3.434 308 HD22 ASN 550 2HD2 ASN 550 5.863 -9.014 3.830 309 H GLN 551 H GLN 551 2.635 -4.317 3.941 310 HA GLN 551 HA GLN 551 1.630 -5.629 1.744 311 HB2 GLN 551 2HB GLN 551 -0.390 -4.252 2.062 312 HB3 GLN 551 1HB GLN 551 0.246 -4.853 3.589 313 HG2 GLN 551 2HG GLN 551 -0.139 -2.698 4.177 314 HG3 GLN 551 1HG GLN 551 1.506 -2.536 3.570 315 HE21 GLN 551 1HE2 GLN 551 1.893 -1.365 1.754 316 HE22 GLN 551 2HE2 GLN 551 0.684 -0.458 0.921 317 H ASP 552 H ASP 552 0.097 -4.143 0.177 318 HA ASP 552 HA ASP 552 1.976 -2.426 -1.310 319 HB2 ASP 552 2HB ASP 552 -0.168 -4.320 -2.250 320 HB3 ASP 552 1HB ASP 552 0.436 -3.033 -3.289 321 H GLY 553 H GLY 553 -1.562 -2.929 -1.033 322 HA2 GLY 553 2HA GLY 553 -2.893 -1.103 -0.064 323 HA3 GLY 553 1HA GLY 553 -1.825 0.013 -0.898 324 H LEU 554 H LEU 554 -3.407 -2.932 -2.110 325 HA LEU 554 HA LEU 554 -4.023 -2.045 -4.598 326 HB2 LEU 554 2HB LEU 554 -6.138 -3.597 -4.319 327 HB3 LEU 554 1HB LEU 554 -4.516 -4.245 -4.441 328 HG LEU 554 HG LEU 554 -5.052 -3.767 -1.686 329 HD11 LEU 554 1HD1 LEU 554 -7.036 -5.747 -2.571 330 HD12 LEU 554 2HD1 LEU 554 -7.455 -4.060 -2.865 331 HD13 LEU 554 3HD1 LEU 554 -7.088 -4.606 -1.230 332 HD21 LEU 554 3HD2 LEU 554 -5.161 -6.520 -2.702 333 HD22 LEU 554 1HD2 LEU 554 -4.115 -5.800 -1.479 334 HD23 LEU 554 2HD2 LEU 554 -3.741 -5.595 -3.191 335 H ILE 555 H ILE 555 -6.665 -2.243 -2.213 336 HA ILE 555 HA ILE 555 -8.487 -0.933 -1.860 337 HB ILE 555 HB ILE 555 -6.553 1.145 -2.864 338 HG12 ILE 555 2HG1 ILE 555 -6.443 1.828 -0.589 339 HG13 ILE 555 1HG1 ILE 555 -7.851 0.873 -0.154 340 HG21 ILE 555 1HG2 ILE 555 -9.429 1.528 -2.068 341 HG22 ILE 555 2HG2 ILE 555 -8.633 2.037 -3.557 342 HG23 ILE 555 3HG2 ILE 555 -8.241 2.832 -2.032 343 HD11 ILE 555 3HD1 ILE 555 -5.489 0.060 0.497 344 HD12 ILE 555 1HD1 ILE 555 -5.397 -0.464 -1.182 345 HD13 ILE 555 2HD1 ILE 555 -6.662 -1.096 -0.134 346 H CYS 556 H CYS 556 -10.314 -1.030 -2.960 347 HA CYS 556 HA CYS 556 -10.421 -1.416 -5.749 348 HB2 CYS 556 2HB CYS 556 -12.684 -0.590 -3.924 349 HB3 CYS 556 1HB CYS 556 -12.832 -1.367 -5.496 350 H GLY 557 H GLY 557 -10.743 1.437 -3.745 351 HA2 GLY 557 2HA GLY 557 -10.220 3.603 -4.658 352 HA3 GLY 557 1HA GLY 557 -10.848 3.048 -6.207 353 H LEU 558 H LEU 558 -13.139 1.771 -4.835 354 HA LEU 558 HA LEU 558 -14.674 3.711 -3.497 355 HB2 LEU 558 2HB LEU 558 -16.210 4.311 -5.294 356 HB3 LEU 558 1HB LEU 558 -14.576 4.829 -5.661 357 HG LEU 558 HG LEU 558 -15.692 2.260 -6.767 358 HD11 LEU 558 1HD1 LEU 558 -17.120 4.265 -7.346 359 HD12 LEU 558 2HD1 LEU 558 -16.443 3.366 -8.704 360 HD13 LEU 558 3HD1 LEU 558 -15.717 4.895 -8.209 361 HD21 LEU 558 3HD2 LEU 558 -13.248 3.868 -7.099 362 HD22 LEU 558 1HD2 LEU 558 -13.955 3.229 -8.582 363 HD23 LEU 558 2HD2 LEU 558 -13.504 2.131 -7.277 364 H ARG 559 H ARG 559 -14.664 1.031 -5.752 365 HA ARG 559 HA ARG 559 -15.621 -1.029 -4.401 366 HB2 ARG 559 2HB ARG 559 -18.101 -1.058 -4.764 367 HB3 ARG 559 1HB ARG 559 -17.577 0.123 -3.570 368 HG2 ARG 559 2HG ARG 559 -17.550 1.579 -5.885 369 HG3 ARG 559 1HG ARG 559 -18.922 0.498 -6.131 370 HD2 ARG 559 2HD ARG 559 -20.034 1.294 -4.228 371 HD3 ARG 559 1HD ARG 559 -18.572 2.036 -3.579 372 HE ARG 559 HE ARG 559 -19.449 3.141 -6.092 373 HH11 ARG 559 1HH1 ARG 559 -19.723 3.322 -2.616 374 HH12 ARG 559 2HH1 ARG 559 -20.235 4.976 -2.618 375 HH21 ARG 559 1HH2 ARG 559 -20.124 5.316 -6.095 376 HH22 ARG 559 2HH2 ARG 559 -20.466 6.108 -4.592 377 H GLN 560 H GLN 560 -15.782 -2.750 -5.786 378 HA GLN 560 HA GLN 560 -16.632 -2.314 -8.504 379 HB2 GLN 560 2HB GLN 560 -14.549 -3.146 -9.519 380 HB3 GLN 560 1HB GLN 560 -14.302 -1.638 -8.647 381 HG2 GLN 560 2HG GLN 560 -13.232 -2.744 -6.852 382 HG3 GLN 560 1HG GLN 560 -13.721 -4.330 -7.449 383 HE21 GLN 560 1HE2 GLN 560 -11.853 -1.474 -8.392 384 HE22 GLN 560 2HE2 GLN 560 -10.626 -2.341 -9.244 Start of MODEL 2 1 H1 ALA 507 1HT ALA 507 -16.833 6.504 -0.089 2 H2 ALA 507 2HT ALA 507 -18.460 6.910 -0.448 3 H3 ALA 507 3HT ALA 507 -17.467 6.194 -1.651 4 HA ALA 507 HA ALA 507 -18.014 4.846 0.885 5 HB1 ALA 507 2HB ALA 507 -19.744 3.628 -0.745 6 HB2 ALA 507 3HB ALA 507 -19.834 5.260 -1.410 7 HB3 ALA 507 1HB ALA 507 -20.197 4.980 0.294 8 H GLN 508 H GLN 508 -17.140 2.846 0.930 9 HA GLN 508 HA GLN 508 -16.005 1.779 -1.566 10 HB2 GLN 508 2HB GLN 508 -14.654 1.983 1.127 11 HB3 GLN 508 1HB GLN 508 -14.064 0.957 -0.173 12 HG2 GLN 508 2HG GLN 508 -13.568 2.805 -1.545 13 HG3 GLN 508 1HG GLN 508 -14.486 3.907 -0.520 14 HE21 GLN 508 1HE2 GLN 508 -12.177 1.421 0.439 15 HE22 GLN 508 2HE2 GLN 508 -11.042 2.499 1.169 16 HA PRO 509 HA PRO 509 -17.698 -2.035 -0.041 17 HB2 PRO 509 2HB PRO 509 -16.623 -3.716 -1.821 18 HB3 PRO 509 1HB PRO 509 -17.740 -2.443 -2.325 19 HG2 PRO 509 2HG PRO 509 -14.821 -2.638 -2.711 20 HG3 PRO 509 1HG PRO 509 -16.019 -1.724 -3.639 21 HD2 PRO 509 2HD PRO 509 -14.277 -0.786 -1.536 22 HD3 PRO 509 1HD PRO 509 -15.424 0.151 -2.517 23 H LYS 510 H LYS 510 -15.030 -1.127 1.159 24 HA LYS 510 HA LYS 510 -13.459 -1.939 2.584 25 HB2 LYS 510 2HB LYS 510 -15.434 -4.208 2.569 26 HB3 LYS 510 1HB LYS 510 -13.982 -4.245 3.557 27 HG2 LYS 510 2HG LYS 510 -15.078 -1.790 4.145 28 HG3 LYS 510 1HG LYS 510 -16.486 -2.839 3.976 29 HD2 LYS 510 2HD LYS 510 -16.045 -3.273 6.156 30 HD3 LYS 510 1HD LYS 510 -14.920 -4.438 5.454 31 HE2 LYS 510 2HE LYS 510 -13.655 -1.878 5.606 32 HE3 LYS 510 1HE LYS 510 -14.350 -2.275 7.177 33 HZ1 LYS 510 3HZ LYS 510 -12.032 -3.071 6.826 34 HZ2 LYS 510 1HZ LYS 510 -12.616 -4.128 5.641 35 HZ3 LYS 510 2HZ LYS 510 -13.126 -4.291 7.246 36 H CYS 511 H CYS 511 -12.409 -1.936 0.251 37 HA CYS 511 HA CYS 511 -11.266 -4.618 -0.181 38 HB2 CYS 511 2HB CYS 511 -12.695 -3.789 -2.056 39 HB3 CYS 511 1HB CYS 511 -11.583 -2.438 -2.249 40 H ASN 512 H ASN 512 -10.272 -2.703 1.692 41 HA ASN 512 HA ASN 512 -7.779 -1.835 0.397 42 HB2 ASN 512 2HB ASN 512 -7.506 -0.293 2.296 43 HB3 ASN 512 1HB ASN 512 -9.027 -0.016 1.455 44 HD21 ASN 512 1HD2 ASN 512 -10.917 -0.282 2.518 45 HD22 ASN 512 2HD2 ASN 512 -11.036 -0.698 4.191 46 HA PRO 513 HA PRO 513 -5.684 -4.931 2.735 47 HB2 PRO 513 2HB PRO 513 -3.136 -4.115 2.446 48 HB3 PRO 513 1HB PRO 513 -4.076 -4.761 1.097 49 HG2 PRO 513 2HG PRO 513 -3.455 -1.917 1.782 50 HG3 PRO 513 1HG PRO 513 -3.479 -2.709 0.201 51 HD2 PRO 513 2HD PRO 513 -5.523 -1.159 1.189 52 HD3 PRO 513 1HD PRO 513 -5.733 -2.419 -0.041 53 H ASN 514 H ASN 514 -3.303 -2.512 3.502 54 HA ASN 514 HA ASN 514 -4.293 -2.326 6.265 55 HB2 ASN 514 2HB ASN 514 -1.741 -3.399 5.244 56 HB3 ASN 514 1HB ASN 514 -1.601 -2.287 6.599 57 HD21 ASN 514 1HD2 ASN 514 -3.323 -5.184 5.532 58 HD22 ASN 514 2HD2 ASN 514 -3.446 -5.904 7.097 59 H LEU 515 H LEU 515 -1.496 -1.223 4.432 60 HA LEU 515 HA LEU 515 -0.403 0.786 4.451 61 HB2 LEU 515 2HB LEU 515 -1.583 2.391 3.139 62 HB3 LEU 515 1HB LEU 515 -1.967 0.776 2.571 63 HG LEU 515 HG LEU 515 -3.989 1.288 4.366 64 HD11 LEU 515 1HD1 LEU 515 -4.495 3.451 4.493 65 HD12 LEU 515 2HD1 LEU 515 -4.285 3.674 2.757 66 HD13 LEU 515 3HD1 LEU 515 -2.893 3.777 3.833 67 HD21 LEU 515 3HD2 LEU 515 -3.907 1.660 1.380 68 HD22 LEU 515 1HD2 LEU 515 -5.384 1.547 2.336 69 HD23 LEU 515 2HD2 LEU 515 -4.276 0.176 2.257 70 H HIS 516 H HIS 516 -0.981 0.297 7.023 71 HA HIS 516 HA HIS 516 -2.147 2.766 8.091 72 HB2 HIS 516 2HB HIS 516 -2.085 -0.006 8.978 73 HB3 HIS 516 1HB HIS 516 -1.582 1.105 10.247 74 HD1 HIS 516 1HD HIS 516 -4.274 1.739 7.658 75 HD2 HIS 516 2HD HIS 516 -3.857 1.169 11.753 76 HE1 HIS 516 1HE HIS 516 -6.547 2.193 8.634 77 HE2 HIS 516 2HE HIS 516 -6.249 1.926 11.121 78 H TYR 517 H TYR 517 0.868 1.479 7.343 79 HA TYR 517 HA TYR 517 2.290 2.489 9.623 80 HB2 TYR 517 2HB TYR 517 4.257 1.706 8.609 81 HB3 TYR 517 1HB TYR 517 3.030 0.569 8.072 82 HD1 TYR 517 2HD TYR 517 4.461 3.830 6.907 83 HD2 TYR 517 1HD TYR 517 3.202 -0.098 5.866 84 HE1 TYR 517 2HE TYR 517 5.095 4.256 4.583 85 HE2 TYR 517 1HE TYR 517 3.843 0.315 3.533 86 HH TYR 517 HH TYR 517 5.713 3.008 2.589 87 H TRP 518 H TRP 518 1.225 3.765 6.594 88 HA TRP 518 HA TRP 518 2.769 6.217 7.031 89 HB2 TRP 518 2HB TRP 518 2.661 4.719 4.771 90 HB3 TRP 518 1HB TRP 518 1.388 5.897 4.467 91 HD1 TRP 518 HD TRP 518 2.409 7.623 2.922 92 HE1 TRP 518 1HE TRP 518 4.549 9.055 2.883 93 HE3 TRP 518 3HE TRP 518 4.759 5.644 6.989 94 HZ2 TRP 518 2HZ TRP 518 6.921 9.307 4.394 95 HZ3 TRP 518 3HZ TRP 518 6.959 6.532 7.634 96 HH2 TRP 518 HH TRP 518 8.016 8.328 6.362 97 H THR 519 H THR 519 1.773 7.965 7.565 98 HA THR 519 HA THR 519 -0.397 8.567 8.730 99 HB THR 519 HB THR 519 0.894 10.394 8.028 100 HG1 THR 519 1HG THR 519 -1.460 10.746 8.127 101 HG21 THR 519 3HG2 THR 519 1.673 10.797 5.987 102 HG22 THR 519 1HG2 THR 519 0.091 10.574 5.238 103 HG23 THR 519 2HG2 THR 519 1.105 9.174 5.593 104 H THR 520 H THR 520 -0.658 8.350 5.164 105 HA THR 520 HA THR 520 -3.028 6.870 5.171 106 HB THR 520 HB THR 520 -3.798 9.132 6.164 107 HG1 THR 520 1HG THR 520 -5.770 8.940 5.007 108 HG21 THR 520 3HG2 THR 520 -4.519 10.791 4.538 109 HG22 THR 520 1HG2 THR 520 -3.708 9.896 3.253 110 HG23 THR 520 2HG2 THR 520 -2.763 10.629 4.550 111 H GLN 521 H GLN 521 -1.399 9.525 3.458 112 HA GLN 521 HA GLN 521 -2.235 9.171 0.905 113 HB2 GLN 521 2HB GLN 521 0.007 9.917 0.156 114 HB3 GLN 521 1HB GLN 521 -0.663 10.908 1.445 115 HG2 GLN 521 2HG GLN 521 0.726 9.651 3.063 116 HG3 GLN 521 1HG GLN 521 1.451 8.785 1.709 117 HE21 GLN 521 1HE2 GLN 521 2.107 11.080 3.818 118 HE22 GLN 521 2HE2 GLN 521 3.105 12.131 2.877 119 H ASP 522 H ASP 522 -1.544 8.011 -0.912 120 HA ASP 522 HA ASP 522 -1.307 5.289 -0.625 121 HB2 ASP 522 2HB ASP 522 -0.538 7.095 -2.912 122 HB3 ASP 522 1HB ASP 522 -0.448 5.340 -3.029 123 H GLU 523 H GLU 523 0.265 4.701 0.858 124 HA GLU 523 HA GLU 523 3.044 5.383 0.320 125 HB2 GLU 523 2HB GLU 523 3.513 4.231 2.422 126 HB3 GLU 523 1HB GLU 523 2.268 5.451 2.621 127 HG2 GLU 523 2HG GLU 523 1.374 2.685 2.071 128 HG3 GLU 523 1HG GLU 523 2.069 3.014 3.658 129 H GLY 524 H GLY 524 2.483 4.137 -1.779 130 HA2 GLY 524 2HA GLY 524 3.753 2.363 -2.840 131 HA3 GLY 524 1HA GLY 524 3.427 1.366 -1.423 132 H ALA 525 H ALA 525 0.793 3.253 -2.274 133 HA ALA 525 HA ALA 525 -0.838 1.043 -2.905 134 HB1 ALA 525 1HB ALA 525 -2.604 2.531 -2.923 135 HB2 ALA 525 2HB ALA 525 -1.625 3.845 -3.576 136 HB3 ALA 525 3HB ALA 525 -1.436 3.359 -1.891 137 H ALA 526 H ALA 526 0.971 0.551 -4.707 138 HA ALA 526 HA ALA 526 1.408 0.200 -6.898 139 HB1 ALA 526 1HB ALA 526 -0.502 0.085 -8.419 140 HB2 ALA 526 2HB ALA 526 -1.506 0.897 -7.218 141 HB3 ALA 526 3HB ALA 526 -0.852 -0.706 -6.882 142 H ILE 527 H ILE 527 2.820 1.948 -6.992 143 HA ILE 527 HA ILE 527 2.308 3.778 -9.057 144 HB ILE 527 HB ILE 527 1.027 4.947 -7.437 145 HG12 ILE 527 2HG1 ILE 527 3.637 6.437 -7.394 146 HG13 ILE 527 1HG1 ILE 527 2.778 6.186 -8.911 147 HG21 ILE 527 1HG2 ILE 527 3.330 5.222 -5.580 148 HG22 ILE 527 2HG2 ILE 527 2.334 3.763 -5.550 149 HG23 ILE 527 3HG2 ILE 527 1.598 5.340 -5.256 150 HD11 ILE 527 3HD1 ILE 527 2.370 8.190 -6.970 151 HD12 ILE 527 1HD1 ILE 527 0.935 7.167 -6.984 152 HD13 ILE 527 2HD1 ILE 527 1.491 7.925 -8.476 153 H GLY 528 H GLY 528 4.197 3.351 -6.078 154 HA2 GLY 528 2HA GLY 528 6.451 3.251 -5.703 155 HA3 GLY 528 1HA GLY 528 6.604 2.771 -7.380 156 H ALA 529 H ALA 529 5.283 5.524 -8.041 157 HA ALA 529 HA ALA 529 6.142 7.454 -8.916 158 HB1 ALA 529 1HB ALA 529 6.435 8.998 -7.286 159 HB2 ALA 529 2HB ALA 529 7.583 8.002 -6.393 160 HB3 ALA 529 3HB ALA 529 5.853 7.679 -6.269 161 H ALA 530 H ALA 530 7.809 5.124 -9.371 162 HA ALA 530 HA ALA 530 10.003 6.144 -10.618 163 HB1 ALA 530 1HB ALA 530 11.495 6.739 -9.066 164 HB2 ALA 530 2HB ALA 530 11.536 5.069 -8.499 165 HB3 ALA 530 3HB ALA 530 10.409 6.216 -7.779 166 H TRP 531 H TRP 531 8.330 4.182 -11.218 167 HA TRP 531 HA TRP 531 7.969 1.895 -11.421 168 HB2 TRP 531 2HB TRP 531 10.037 0.953 -12.713 169 HB3 TRP 531 1HB TRP 531 8.997 2.165 -13.454 170 HD1 TRP 531 HD TRP 531 12.063 2.482 -11.094 171 HE1 TRP 531 1HE TRP 531 13.699 4.173 -12.145 172 HE3 TRP 531 3HE TRP 531 9.485 3.549 -15.375 173 HZ2 TRP 531 2HZ TRP 531 13.870 5.748 -14.483 174 HZ3 TRP 531 3HZ TRP 531 10.452 5.156 -16.967 175 HH2 TRP 531 HH TRP 531 12.599 6.233 -16.528 176 H ILE 532 H ILE 532 8.609 2.294 -8.894 177 HA ILE 532 HA ILE 532 10.212 -0.064 -8.289 178 HB ILE 532 HB ILE 532 11.521 2.008 -8.032 179 HG12 ILE 532 2HG1 ILE 532 10.910 0.733 -5.355 180 HG13 ILE 532 1HG1 ILE 532 11.886 -0.036 -6.596 181 HG21 ILE 532 1HG2 ILE 532 10.852 3.784 -6.782 182 HG22 ILE 532 2HG2 ILE 532 9.916 2.790 -5.663 183 HG23 ILE 532 3HG2 ILE 532 9.268 3.162 -7.265 184 HD11 ILE 532 3HD1 ILE 532 13.116 1.147 -4.734 185 HD12 ILE 532 1HD1 ILE 532 12.560 2.655 -5.463 186 HD13 ILE 532 2HD1 ILE 532 13.590 1.560 -6.385 187 HA PRO 533 HA PRO 533 6.231 0.835 -5.660 188 HB2 PRO 533 2HB PRO 533 4.286 -0.409 -7.131 189 HB3 PRO 533 1HB PRO 533 4.591 1.328 -7.185 190 HG2 PRO 533 2HG PRO 533 5.460 -0.803 -9.080 191 HG3 PRO 533 1HG PRO 533 4.888 0.839 -9.421 192 HD2 PRO 533 2HD PRO 533 7.501 0.155 -9.481 193 HD3 PRO 533 1HD PRO 533 6.935 1.773 -9.017 194 H TYR 534 H TYR 534 7.624 -1.652 -7.507 195 HA TYR 534 HA TYR 534 6.461 -3.962 -6.493 196 HB2 TYR 534 2HB TYR 534 9.304 -3.479 -7.423 197 HB3 TYR 534 1HB TYR 534 8.550 -5.059 -7.242 198 HD1 TYR 534 2HD TYR 534 8.510 -1.912 -9.251 199 HD2 TYR 534 1HD TYR 534 7.080 -5.922 -8.896 200 HE1 TYR 534 2HE TYR 534 7.662 -1.819 -11.550 201 HE2 TYR 534 1HE TYR 534 6.234 -5.821 -11.200 202 HH TYR 534 HH TYR 534 5.692 -3.139 -12.848 203 H PHE 535 H PHE 535 9.505 -2.390 -5.493 204 HA PHE 535 HA PHE 535 9.039 -3.401 -2.774 205 HB2 PHE 535 2HB PHE 535 11.629 -3.583 -2.676 206 HB3 PHE 535 1HB PHE 535 10.707 -4.871 -3.442 207 HD1 PHE 535 1HD PHE 535 12.181 -1.588 -4.445 208 HD2 PHE 535 2HD PHE 535 11.605 -5.701 -5.374 209 HE1 PHE 535 1HE PHE 535 13.501 -1.305 -6.502 210 HE2 PHE 535 2HE PHE 535 12.926 -5.425 -7.432 211 HZ PHE 535 HZ PHE 535 13.876 -3.225 -7.998 212 H GLY 536 H GLY 536 9.009 -0.722 -4.438 213 HA2 GLY 536 2HA GLY 536 10.926 1.003 -3.330 214 HA3 GLY 536 1HA GLY 536 9.371 1.499 -3.985 215 HA PRO 537 HA PRO 537 8.427 2.477 0.281 216 HB2 PRO 537 2HB PRO 537 6.022 3.515 -0.057 217 HB3 PRO 537 1HB PRO 537 7.406 4.306 -0.838 218 HG2 PRO 537 2HG PRO 537 5.489 2.306 -2.008 219 HG3 PRO 537 1HG PRO 537 5.922 3.907 -2.650 220 HD2 PRO 537 2HD PRO 537 7.093 1.611 -3.490 221 HD3 PRO 537 1HD PRO 537 7.975 3.155 -3.422 222 H ALA 538 H ALA 538 7.959 -0.190 -0.986 223 HA ALA 538 HA ALA 538 5.744 -1.103 0.673 224 HB1 ALA 538 1HB ALA 538 5.186 -2.735 -0.999 225 HB2 ALA 538 2HB ALA 538 6.597 -2.295 -1.967 226 HB3 ALA 538 3HB ALA 538 5.259 -1.158 -1.788 227 H ALA 539 H ALA 539 8.990 -1.303 -0.378 228 HA ALA 539 HA ALA 539 9.577 -3.216 1.679 229 HB1 ALA 539 1HB ALA 539 10.737 -4.794 0.201 230 HB2 ALA 539 2HB ALA 539 10.125 -3.899 -1.189 231 HB3 ALA 539 3HB ALA 539 9.002 -4.713 -0.100 232 H GLU 540 H GLU 540 10.376 -0.401 0.465 233 HA GLU 540 HA GLU 540 13.222 -0.656 0.094 234 HB2 GLU 540 2HB GLU 540 13.252 1.789 0.212 235 HB3 GLU 540 1HB GLU 540 12.017 1.226 -0.902 236 HG2 GLU 540 2HG GLU 540 10.421 1.458 1.108 237 HG3 GLU 540 1HG GLU 540 11.696 2.460 1.800 238 H GLY 541 H GLY 541 12.951 -2.050 2.191 239 HA2 GLY 541 2HA GLY 541 14.169 -2.119 4.247 240 HA3 GLY 541 1HA GLY 541 13.864 -0.391 4.437 241 H ILE 542 H ILE 542 11.058 -1.069 3.384 242 HA ILE 542 HA ILE 542 9.696 -1.052 5.812 243 HB ILE 542 HB ILE 542 9.009 -1.177 2.953 244 HG12 ILE 542 2HG1 ILE 542 7.357 0.083 5.093 245 HG13 ILE 542 1HG1 ILE 542 8.958 0.734 4.766 246 HG21 ILE 542 1HG2 ILE 542 7.251 -2.508 4.987 247 HG22 ILE 542 2HG2 ILE 542 7.721 -3.069 3.381 248 HG23 ILE 542 3HG2 ILE 542 6.578 -1.732 3.554 249 HD11 ILE 542 3HD1 ILE 542 7.055 0.292 2.517 250 HD12 ILE 542 1HD1 ILE 542 8.387 1.438 2.658 251 HD13 ILE 542 2HD1 ILE 542 6.892 1.710 3.552 252 H TYR 543 H TYR 543 10.206 -3.682 3.468 253 HA TYR 543 HA TYR 543 8.762 -5.716 4.499 254 HB2 TYR 543 2HB TYR 543 10.355 -7.272 3.565 255 HB3 TYR 543 1HB TYR 543 10.196 -5.883 2.494 256 HD1 TYR 543 2HD TYR 543 11.948 -3.980 2.895 257 HD2 TYR 543 1HD TYR 543 12.463 -8.010 4.118 258 HE1 TYR 543 2HE TYR 543 14.386 -3.636 2.953 259 HE2 TYR 543 1HE TYR 543 14.904 -7.689 4.186 260 HH TYR 543 HH TYR 543 16.468 -5.531 4.515 261 H ALA 544 H ALA 544 11.621 -4.334 5.928 262 HA ALA 544 HA ALA 544 12.396 -6.326 7.701 263 HB1 ALA 544 1HB ALA 544 13.337 -4.535 9.058 264 HB2 ALA 544 2HB ALA 544 12.384 -3.351 8.163 265 HB3 ALA 544 3HB ALA 544 13.652 -4.263 7.345 266 H GLU 545 H GLU 545 9.509 -4.534 7.626 267 HA GLU 545 HA GLU 545 8.735 -4.305 10.267 268 HB2 GLU 545 2HB GLU 545 6.383 -4.601 9.278 269 HB3 GLU 545 1HB GLU 545 7.359 -3.288 8.639 270 HG2 GLU 545 2HG GLU 545 6.562 -4.163 6.699 271 HG3 GLU 545 1HG GLU 545 8.041 -5.104 6.861 272 H GLY 546 H GLY 546 8.433 -6.988 8.024 273 HA2 GLY 546 2HA GLY 546 7.967 -9.198 8.302 274 HA3 GLY 546 1HA GLY 546 8.905 -9.029 9.768 275 H LEU 547 H LEU 547 5.601 -7.992 8.788 276 HA LEU 547 HA LEU 547 4.331 -9.852 10.491 277 HB2 LEU 547 2HB LEU 547 3.364 -7.609 11.805 278 HB3 LEU 547 1HB LEU 547 4.396 -8.857 12.467 279 HG LEU 547 HG LEU 547 6.375 -7.520 11.911 280 HD11 LEU 547 1HD1 LEU 547 4.317 -5.619 10.830 281 HD12 LEU 547 2HD1 LEU 547 5.731 -6.286 10.014 282 HD13 LEU 547 3HD1 LEU 547 5.935 -5.097 11.299 283 HD21 LEU 547 3HD2 LEU 547 4.689 -5.577 13.353 284 HD22 LEU 547 1HD2 LEU 547 6.235 -6.298 13.803 285 HD23 LEU 547 2HD2 LEU 547 4.742 -7.214 14.007 286 H MET 548 H MET 548 3.986 -6.630 9.019 287 HA MET 548 HA MET 548 1.896 -7.434 7.324 288 HB2 MET 548 2HB MET 548 0.016 -6.180 8.370 289 HB3 MET 548 1HB MET 548 0.521 -7.593 9.286 290 HG2 MET 548 2HG MET 548 1.713 -6.209 10.854 291 HG3 MET 548 1HG MET 548 1.364 -4.771 9.898 292 HE1 MET 548 3HE MET 548 0.612 -3.488 11.633 293 HE2 MET 548 1HE MET 548 -0.939 -3.582 12.467 294 HE3 MET 548 2HE MET 548 -0.883 -3.177 10.751 295 H HIS 549 H HIS 549 3.573 -4.852 8.981 296 HA HIS 549 HA HIS 549 2.669 -2.619 7.644 297 HB2 HIS 549 2HB HIS 549 4.987 -3.330 9.217 298 HB3 HIS 549 1HB HIS 549 5.414 -2.195 7.940 299 HD1 HIS 549 1HD HIS 549 1.999 -1.933 9.327 300 HD2 HIS 549 2HD HIS 549 5.722 -0.204 9.957 301 HE1 HIS 549 1HE HIS 549 1.559 0.112 10.707 302 HE2 HIS 549 2HE HIS 549 3.837 1.087 11.171 303 H ASN 550 H ASN 550 4.291 -5.264 6.232 304 HA ASN 550 HA ASN 550 5.659 -3.856 4.164 305 HB2 ASN 550 2HB ASN 550 5.851 -6.115 3.111 306 HB3 ASN 550 1HB ASN 550 6.439 -6.046 4.769 307 HD21 ASN 550 1HD2 ASN 550 6.164 -8.209 5.158 308 HD22 ASN 550 2HD2 ASN 550 4.611 -8.952 5.296 309 H GLN 551 H GLN 551 2.544 -3.740 4.658 310 HA GLN 551 HA GLN 551 1.142 -4.681 2.490 311 HB2 GLN 551 2HB GLN 551 -0.363 -2.685 2.906 312 HB3 GLN 551 1HB GLN 551 -0.034 -3.703 4.304 313 HG2 GLN 551 2HG GLN 551 1.947 -1.650 4.133 314 HG3 GLN 551 1HG GLN 551 0.342 -0.931 4.051 315 HE21 GLN 551 1HE2 GLN 551 1.228 -0.034 6.127 316 HE22 GLN 551 2HE2 GLN 551 0.904 -0.930 7.569 317 H ASP 552 H ASP 552 -0.012 -2.836 1.003 318 HA ASP 552 HA ASP 552 2.064 -1.222 -0.290 319 HB2 ASP 552 2HB ASP 552 0.210 -3.038 -1.844 320 HB3 ASP 552 1HB ASP 552 1.514 -2.045 -2.489 321 H GLY 553 H GLY 553 -1.397 -2.108 -0.402 322 HA2 GLY 553 2HA GLY 553 -2.998 -0.333 0.176 323 HA3 GLY 553 1HA GLY 553 -1.977 0.773 -0.729 324 H LEU 554 H LEU 554 -3.109 -2.480 -1.598 325 HA LEU 554 HA LEU 554 -3.558 -2.102 -4.230 326 HB2 LEU 554 2HB LEU 554 -5.586 -3.751 -3.846 327 HB3 LEU 554 1HB LEU 554 -3.921 -4.273 -3.707 328 HG LEU 554 HG LEU 554 -4.689 -3.376 -1.140 329 HD11 LEU 554 1HD1 LEU 554 -6.897 -3.669 -1.077 330 HD12 LEU 554 2HD1 LEU 554 -6.543 -5.396 -1.133 331 HD13 LEU 554 3HD1 LEU 554 -6.916 -4.524 -2.619 332 HD21 LEU 554 3HD2 LEU 554 -3.088 -5.073 -1.363 333 HD22 LEU 554 1HD2 LEU 554 -4.145 -6.053 -2.380 334 HD23 LEU 554 2HD2 LEU 554 -4.496 -5.869 -0.661 335 H ILE 555 H ILE 555 -6.353 -2.033 -2.022 336 HA ILE 555 HA ILE 555 -8.303 -0.859 -2.077 337 HB ILE 555 HB ILE 555 -6.781 1.244 -3.606 338 HG12 ILE 555 2HG1 ILE 555 -5.421 1.020 -1.743 339 HG13 ILE 555 1HG1 ILE 555 -6.574 2.232 -1.199 340 HG21 ILE 555 1HG2 ILE 555 -9.438 1.116 -2.980 341 HG22 ILE 555 2HG2 ILE 555 -8.536 2.594 -3.308 342 HG23 ILE 555 3HG2 ILE 555 -8.778 2.060 -1.645 343 HD11 ILE 555 3HD1 ILE 555 -6.220 0.639 0.546 344 HD12 ILE 555 1HD1 ILE 555 -6.586 -0.695 -0.546 345 HD13 ILE 555 2HD1 ILE 555 -7.855 0.438 -0.087 346 H CYS 556 H CYS 556 -9.890 -1.647 -3.296 347 HA CYS 556 HA CYS 556 -9.682 -2.355 -5.989 348 HB2 CYS 556 2HB CYS 556 -11.950 -1.984 -4.087 349 HB3 CYS 556 1HB CYS 556 -12.318 -2.144 -5.801 350 H GLY 557 H GLY 557 -10.647 0.661 -4.484 351 HA2 GLY 557 2HA GLY 557 -10.389 2.741 -5.640 352 HA3 GLY 557 1HA GLY 557 -10.668 1.890 -7.154 353 H LEU 558 H LEU 558 -12.915 0.397 -6.038 354 HA LEU 558 HA LEU 558 -14.931 2.117 -5.121 355 HB2 LEU 558 2HB LEU 558 -16.218 2.421 -7.153 356 HB3 LEU 558 1HB LEU 558 -14.624 3.124 -7.335 357 HG LEU 558 HG LEU 558 -15.174 0.358 -8.365 358 HD11 LEU 558 1HD1 LEU 558 -15.424 2.679 -10.197 359 HD12 LEU 558 2HD1 LEU 558 -16.805 2.274 -9.177 360 HD13 LEU 558 3HD1 LEU 558 -16.149 1.074 -10.291 361 HD21 LEU 558 3HD2 LEU 558 -13.011 2.295 -8.470 362 HD22 LEU 558 1HD2 LEU 558 -13.484 1.719 -10.069 363 HD23 LEU 558 2HD2 LEU 558 -13.006 0.566 -8.823 364 H ARG 559 H ARG 559 -14.124 -0.646 -7.109 365 HA ARG 559 HA ARG 559 -14.934 -2.769 -5.817 366 HB2 ARG 559 2HB ARG 559 -17.330 -3.210 -6.475 367 HB3 ARG 559 1HB ARG 559 -17.123 -1.976 -5.240 368 HG2 ARG 559 2HG ARG 559 -17.073 -0.515 -7.559 369 HG3 ARG 559 1HG ARG 559 -18.245 -1.784 -7.920 370 HD2 ARG 559 2HD ARG 559 -19.013 -1.080 -5.421 371 HD3 ARG 559 1HD ARG 559 -18.405 0.461 -6.022 372 HE ARG 559 HE ARG 559 -20.081 -0.663 -7.966 373 HH11 ARG 559 1HH1 ARG 559 -20.271 0.726 -4.771 374 HH12 ARG 559 2HH1 ARG 559 -21.892 1.298 -4.981 375 HH21 ARG 559 1HH2 ARG 559 -22.211 0.089 -8.244 376 HH22 ARG 559 2HH2 ARG 559 -22.994 0.937 -6.953 377 H GLN 560 H GLN 560 -14.763 -4.569 -7.115 378 HA GLN 560 HA GLN 560 -15.275 -4.352 -9.941 379 HB2 GLN 560 2HB GLN 560 -12.997 -4.899 -10.645 380 HB3 GLN 560 1HB GLN 560 -13.040 -3.371 -9.774 381 HG2 GLN 560 2HG GLN 560 -11.336 -4.184 -8.602 382 HG3 GLN 560 1HG GLN 560 -12.541 -5.170 -7.775 383 HE21 GLN 560 1HE2 GLN 560 -12.411 -7.315 -7.929 384 HE22 GLN 560 2HE2 GLN 560 -11.322 -8.175 -8.958 Start of MODEL 3 1 H1 ALA 507 1HT ALA 507 -19.980 4.436 -0.436 2 H2 ALA 507 2HT ALA 507 -18.511 4.049 0.363 3 H3 ALA 507 3HT ALA 507 -19.520 2.797 -0.236 4 HA ALA 507 HA ALA 507 -19.195 3.772 -2.475 5 HB1 ALA 507 2HB ALA 507 -18.390 5.940 -1.890 6 HB2 ALA 507 3HB ALA 507 -17.079 5.084 -2.700 7 HB3 ALA 507 1HB ALA 507 -17.068 5.256 -0.945 8 H GLN 508 H GLN 508 -16.828 2.915 0.032 9 HA GLN 508 HA GLN 508 -15.474 1.104 -1.791 10 HB2 GLN 508 2HB GLN 508 -14.892 1.479 1.143 11 HB3 GLN 508 1HB GLN 508 -13.816 0.859 -0.102 12 HG2 GLN 508 2HG GLN 508 -13.081 2.889 -0.589 13 HG3 GLN 508 1HG GLN 508 -14.721 3.514 -0.758 14 HE21 GLN 508 1HE2 GLN 508 -15.777 4.346 1.088 15 HE22 GLN 508 2HE2 GLN 508 -14.877 4.906 2.452 16 HA PRO 509 HA PRO 509 -17.643 -2.407 -0.131 17 HB2 PRO 509 2HB PRO 509 -16.463 -4.305 -1.600 18 HB3 PRO 509 1HB PRO 509 -17.484 -3.071 -2.348 19 HG2 PRO 509 2HG PRO 509 -14.546 -3.368 -2.409 20 HG3 PRO 509 1HG PRO 509 -15.619 -2.559 -3.560 21 HD2 PRO 509 2HD PRO 509 -14.063 -1.384 -1.440 22 HD3 PRO 509 1HD PRO 509 -15.113 -0.566 -2.613 23 H LYS 510 H LYS 510 -14.968 -1.454 1.115 24 HA LYS 510 HA LYS 510 -13.492 -2.147 2.698 25 HB2 LYS 510 2HB LYS 510 -15.896 -3.854 3.100 26 HB3 LYS 510 1HB LYS 510 -14.440 -4.253 3.999 27 HG2 LYS 510 2HG LYS 510 -14.435 -2.182 5.116 28 HG3 LYS 510 1HG LYS 510 -15.619 -1.494 4.004 29 HD2 LYS 510 2HD LYS 510 -16.296 -3.878 5.689 30 HD3 LYS 510 1HD LYS 510 -16.405 -2.246 6.347 31 HE2 LYS 510 2HE LYS 510 -18.155 -1.666 4.987 32 HE3 LYS 510 1HE LYS 510 -17.687 -2.801 3.721 33 HZ1 LYS 510 3HZ LYS 510 -19.746 -3.387 4.988 34 HZ2 LYS 510 1HZ LYS 510 -18.770 -3.663 6.343 35 HZ3 LYS 510 2HZ LYS 510 -18.568 -4.599 4.949 36 H CYS 511 H CYS 511 -12.029 -2.744 0.924 37 HA CYS 511 HA CYS 511 -11.336 -5.577 1.110 38 HB2 CYS 511 2HB CYS 511 -10.861 -5.580 -1.377 39 HB3 CYS 511 1HB CYS 511 -12.564 -5.569 -0.928 40 H ASN 512 H ASN 512 -10.271 -2.995 2.138 41 HA ASN 512 HA ASN 512 -7.802 -2.579 0.704 42 HB2 ASN 512 2HB ASN 512 -7.305 -0.948 2.483 43 HB3 ASN 512 1HB ASN 512 -8.903 -0.684 1.790 44 HD21 ASN 512 1HD2 ASN 512 -10.125 0.075 3.367 45 HD22 ASN 512 2HD2 ASN 512 -10.286 -0.614 4.943 46 HA PRO 513 HA PRO 513 -5.444 -5.531 2.974 47 HB2 PRO 513 2HB PRO 513 -2.944 -4.650 2.528 48 HB3 PRO 513 1HB PRO 513 -3.942 -5.324 1.235 49 HG2 PRO 513 2HG PRO 513 -3.381 -2.459 1.890 50 HG3 PRO 513 1HG PRO 513 -3.441 -3.253 0.312 51 HD2 PRO 513 2HD PRO 513 -5.495 -1.779 1.366 52 HD3 PRO 513 1HD PRO 513 -5.717 -3.073 0.173 53 H ASN 514 H ASN 514 -3.090 -3.041 3.575 54 HA ASN 514 HA ASN 514 -3.947 -2.813 6.376 55 HB2 ASN 514 2HB ASN 514 -1.413 -3.857 5.271 56 HB3 ASN 514 1HB ASN 514 -1.252 -2.721 6.605 57 HD21 ASN 514 1HD2 ASN 514 -2.825 -5.717 5.623 58 HD22 ASN 514 2HD2 ASN 514 -2.924 -6.398 7.208 59 H LEU 515 H LEU 515 -1.204 -1.690 4.471 60 HA LEU 515 HA LEU 515 -0.172 0.361 4.465 61 HB2 LEU 515 2HB LEU 515 -1.378 1.888 3.066 62 HB3 LEU 515 1HB LEU 515 -1.649 0.241 2.524 63 HG LEU 515 HG LEU 515 -3.773 0.701 4.231 64 HD11 LEU 515 1HD1 LEU 515 -3.916 2.927 4.461 65 HD12 LEU 515 2HD1 LEU 515 -4.550 2.885 2.816 66 HD13 LEU 515 3HD1 LEU 515 -2.845 3.238 3.094 67 HD21 LEU 515 3HD2 LEU 515 -4.970 1.068 1.932 68 HD22 LEU 515 1HD2 LEU 515 -4.237 -0.487 2.326 69 HD23 LEU 515 2HD2 LEU 515 -3.385 0.648 1.279 70 H HIS 516 H HIS 516 -0.750 -0.016 7.020 71 HA HIS 516 HA HIS 516 -2.101 2.408 7.962 72 HB2 HIS 516 2HB HIS 516 -2.029 -0.297 8.892 73 HB3 HIS 516 1HB HIS 516 -1.379 0.752 10.146 74 HD1 HIS 516 1HD HIS 516 -4.063 2.031 7.891 75 HD2 HIS 516 2HD HIS 516 -3.688 0.438 11.710 76 HE1 HIS 516 1HE HIS 516 -6.272 2.454 9.016 77 HE2 HIS 516 2HE HIS 516 -6.050 1.405 11.295 78 H TYR 517 H TYR 517 1.023 1.331 7.324 79 HA TYR 517 HA TYR 517 2.282 2.530 9.617 80 HB2 TYR 517 2HB TYR 517 4.353 1.894 8.694 81 HB3 TYR 517 1HB TYR 517 3.248 0.613 8.228 82 HD1 TYR 517 2HD TYR 517 4.245 3.933 6.766 83 HD2 TYR 517 1HD TYR 517 3.708 -0.245 6.144 84 HE1 TYR 517 2HE TYR 517 4.905 4.206 4.429 85 HE2 TYR 517 1HE TYR 517 4.381 0.020 3.801 86 HH TYR 517 HH TYR 517 5.681 3.009 2.579 87 H TRP 518 H TRP 518 1.075 3.674 6.637 88 HA TRP 518 HA TRP 518 2.593 6.157 6.886 89 HB2 TRP 518 2HB TRP 518 2.480 4.698 4.698 90 HB3 TRP 518 1HB TRP 518 0.932 5.511 4.491 91 HD1 TRP 518 HD TRP 518 1.035 7.748 3.271 92 HE1 TRP 518 1HE TRP 518 2.875 9.457 2.698 93 HE3 TRP 518 3HE TRP 518 4.919 5.628 5.813 94 HZ2 TRP 518 2HZ TRP 518 5.616 9.849 3.255 95 HZ3 TRP 518 3HZ TRP 518 7.120 6.728 5.746 96 HH2 TRP 518 HH TRP 518 7.459 8.796 4.492 97 H THR 519 H THR 519 1.615 7.984 7.238 98 HA THR 519 HA THR 519 -0.447 8.601 8.651 99 HB THR 519 HB THR 519 0.757 10.390 7.713 100 HG1 THR 519 1HG THR 519 -0.864 11.768 7.111 101 HG21 THR 519 3HG2 THR 519 1.299 10.690 5.575 102 HG22 THR 519 1HG2 THR 519 -0.341 10.371 5.013 103 HG23 THR 519 2HG2 THR 519 0.751 9.027 5.356 104 H THR 520 H THR 520 -0.990 8.090 5.151 105 HA THR 520 HA THR 520 -3.344 6.620 5.473 106 HB THR 520 HB THR 520 -4.022 9.002 6.290 107 HG1 THR 520 1HG THR 520 -5.468 7.433 4.443 108 HG21 THR 520 3HG2 THR 520 -4.941 10.436 4.555 109 HG22 THR 520 1HG2 THR 520 -4.255 9.388 3.313 110 HG23 THR 520 2HG2 THR 520 -3.192 10.285 4.399 111 H GLN 521 H GLN 521 -1.911 9.127 3.389 112 HA GLN 521 HA GLN 521 -2.951 8.409 0.965 113 HB2 GLN 521 2HB GLN 521 -0.893 9.299 -0.069 114 HB3 GLN 521 1HB GLN 521 -1.545 10.354 1.178 115 HG2 GLN 521 2HG GLN 521 0.122 9.457 2.757 116 HG3 GLN 521 1HG GLN 521 0.801 8.491 1.447 117 HE21 GLN 521 1HE2 GLN 521 0.928 10.103 -0.640 118 HE22 GLN 521 2HE2 GLN 521 1.908 11.490 -0.321 119 H ASP 522 H ASP 522 -2.217 7.163 -0.784 120 HA ASP 522 HA ASP 522 -1.744 4.518 -0.281 121 HB2 ASP 522 2HB ASP 522 -1.256 6.208 -2.714 122 HB3 ASP 522 1HB ASP 522 -0.888 4.487 -2.722 123 H GLU 523 H GLU 523 -0.097 3.849 0.970 124 HA GLU 523 HA GLU 523 2.605 4.825 0.428 125 HB2 GLU 523 2HB GLU 523 3.149 3.373 2.469 126 HB3 GLU 523 1HB GLU 523 2.237 4.847 2.722 127 HG2 GLU 523 2HG GLU 523 0.693 3.675 3.788 128 HG3 GLU 523 1HG GLU 523 0.352 2.800 2.297 129 H GLY 524 H GLY 524 2.215 3.605 -1.689 130 HA2 GLY 524 2HA GLY 524 3.581 1.949 -2.787 131 HA3 GLY 524 1HA GLY 524 3.362 0.909 -1.381 132 H ALA 525 H ALA 525 0.592 2.608 -2.254 133 HA ALA 525 HA ALA 525 -0.898 0.294 -2.829 134 HB1 ALA 525 1HB ALA 525 -1.846 3.005 -3.631 135 HB2 ALA 525 2HB ALA 525 -1.626 2.629 -1.923 136 HB3 ALA 525 3HB ALA 525 -2.742 1.676 -2.901 137 H ALA 526 H ALA 526 0.967 -0.152 -4.600 138 HA ALA 526 HA ALA 526 1.464 -0.537 -6.772 139 HB1 ALA 526 1HB ALA 526 -0.784 -1.585 -6.637 140 HB2 ALA 526 2HB ALA 526 -0.360 -1.014 -8.251 141 HB3 ALA 526 3HB ALA 526 -1.473 -0.083 -7.250 142 H ILE 527 H ILE 527 2.713 1.318 -6.968 143 HA ILE 527 HA ILE 527 2.034 3.002 -9.107 144 HB ILE 527 HB ILE 527 0.648 4.116 -7.528 145 HG12 ILE 527 2HG1 ILE 527 3.100 5.852 -7.577 146 HG13 ILE 527 1HG1 ILE 527 2.274 5.441 -9.077 147 HG21 ILE 527 1HG2 ILE 527 2.004 3.155 -5.590 148 HG22 ILE 527 2HG2 ILE 527 1.234 4.730 -5.380 149 HG23 ILE 527 3HG2 ILE 527 2.962 4.629 -5.723 150 HD11 ILE 527 3HD1 ILE 527 0.597 6.860 -8.675 151 HD12 ILE 527 1HD1 ILE 527 1.719 7.595 -7.528 152 HD13 ILE 527 2HD1 ILE 527 0.514 6.436 -6.965 153 H GLY 528 H GLY 528 3.950 2.866 -6.118 154 HA2 GLY 528 2HA GLY 528 6.207 2.993 -5.748 155 HA3 GLY 528 1HA GLY 528 6.404 2.481 -7.412 156 H ALA 529 H ALA 529 4.821 5.072 -8.149 157 HA ALA 529 HA ALA 529 5.478 7.053 -9.079 158 HB1 ALA 529 1HB ALA 529 5.160 7.354 -6.464 159 HB2 ALA 529 2HB ALA 529 5.686 8.679 -7.502 160 HB3 ALA 529 3HB ALA 529 6.870 7.773 -6.560 161 H ALA 530 H ALA 530 7.348 4.905 -9.538 162 HA ALA 530 HA ALA 530 9.420 6.097 -10.823 163 HB1 ALA 530 1HB ALA 530 10.822 6.915 -9.286 164 HB2 ALA 530 2HB ALA 530 11.114 5.260 -8.745 165 HB3 ALA 530 3HB ALA 530 9.862 6.231 -7.974 166 H TRP 531 H TRP 531 7.954 3.961 -11.356 167 HA TRP 531 HA TRP 531 7.825 1.643 -11.496 168 HB2 TRP 531 2HB TRP 531 9.972 0.884 -12.781 169 HB3 TRP 531 1HB TRP 531 8.808 1.964 -13.545 170 HD1 TRP 531 HD TRP 531 11.841 2.658 -11.221 171 HE1 TRP 531 1HE TRP 531 13.287 4.478 -12.331 172 HE3 TRP 531 3HE TRP 531 9.139 3.337 -15.505 173 HZ2 TRP 531 2HZ TRP 531 13.281 5.998 -14.711 174 HZ3 TRP 531 3HZ TRP 531 9.926 4.992 -17.147 175 HH2 TRP 531 HH TRP 531 11.954 6.295 -16.756 176 H ILE 532 H ILE 532 8.440 2.179 -8.985 177 HA ILE 532 HA ILE 532 10.284 0.017 -8.333 178 HB ILE 532 HB ILE 532 11.371 2.219 -8.144 179 HG12 ILE 532 2HG1 ILE 532 10.910 0.962 -5.429 180 HG13 ILE 532 1HG1 ILE 532 11.962 0.272 -6.655 181 HG21 ILE 532 1HG2 ILE 532 9.704 2.896 -5.785 182 HG22 ILE 532 2HG2 ILE 532 9.018 3.159 -7.393 183 HG23 ILE 532 3HG2 ILE 532 10.531 3.950 -6.935 184 HD11 ILE 532 3HD1 ILE 532 13.059 1.633 -4.832 185 HD12 ILE 532 1HD1 ILE 532 12.337 3.051 -5.598 186 HD13 ILE 532 2HD1 ILE 532 13.479 2.051 -6.496 187 HA PRO 533 HA PRO 533 6.247 0.572 -5.687 188 HB2 PRO 533 2HB PRO 533 4.430 -0.900 -7.111 189 HB3 PRO 533 1HB PRO 533 4.552 0.858 -7.207 190 HG2 PRO 533 2HG PRO 533 5.635 -1.216 -9.058 191 HG3 PRO 533 1HG PRO 533 4.881 0.341 -9.436 192 HD2 PRO 533 2HD PRO 533 7.549 -0.036 -9.510 193 HD3 PRO 533 1HD PRO 533 6.811 1.514 -9.055 194 H TYR 534 H TYR 534 7.860 -1.812 -7.507 195 HA TYR 534 HA TYR 534 6.956 -4.204 -6.454 196 HB2 TYR 534 2HB TYR 534 9.746 -3.419 -7.335 197 HB3 TYR 534 1HB TYR 534 9.186 -5.073 -7.112 198 HD1 TYR 534 1HD TYR 534 8.801 -2.021 -9.227 199 HD2 TYR 534 2HD TYR 534 7.878 -6.167 -8.762 200 HE1 TYR 534 1HE TYR 534 8.004 -2.110 -11.544 201 HE2 TYR 534 2HE TYR 534 7.082 -6.248 -11.084 202 HH TYR 534 HH TYR 534 7.631 -3.705 -13.309 203 H PHE 535 H PHE 535 9.804 -2.317 -5.419 204 HA PHE 535 HA PHE 535 9.362 -3.303 -2.688 205 HB2 PHE 535 2HB PHE 535 12.019 -3.119 -4.108 206 HB3 PHE 535 1HB PHE 535 11.820 -3.480 -2.397 207 HD1 PHE 535 2HD PHE 535 9.952 -5.450 -2.050 208 HD2 PHE 535 1HD PHE 535 12.491 -4.924 -5.424 209 HE1 PHE 535 2HE PHE 535 9.735 -7.842 -2.581 210 HE2 PHE 535 1HE PHE 535 12.278 -7.315 -5.962 211 HZ PHE 535 HZ PHE 535 10.899 -8.778 -4.540 212 H GLY 536 H GLY 536 9.251 -0.663 -4.498 213 HA2 GLY 536 2HA GLY 536 10.931 1.252 -3.373 214 HA3 GLY 536 1HA GLY 536 9.349 1.589 -4.064 215 HA PRO 537 HA PRO 537 8.195 2.584 0.144 216 HB2 PRO 537 2HB PRO 537 5.667 3.236 -0.255 217 HB3 PRO 537 1HB PRO 537 6.926 4.187 -1.065 218 HG2 PRO 537 2HG PRO 537 5.349 1.866 -2.149 219 HG3 PRO 537 1HG PRO 537 5.537 3.485 -2.862 220 HD2 PRO 537 2HD PRO 537 7.055 1.369 -3.598 221 HD3 PRO 537 1HD PRO 537 7.696 3.029 -3.580 222 H ALA 538 H ALA 538 8.140 -0.175 -1.013 223 HA ALA 538 HA ALA 538 6.064 -1.344 0.665 224 HB1 ALA 538 1HB ALA 538 5.697 -1.528 -1.841 225 HB2 ALA 538 2HB ALA 538 5.709 -3.050 -0.948 226 HB3 ALA 538 3HB ALA 538 7.129 -2.560 -1.878 227 H ALA 539 H ALA 539 9.318 -1.154 -0.417 228 HA ALA 539 HA ALA 539 10.160 -2.859 1.744 229 HB1 ALA 539 1HB ALA 539 11.720 -4.051 -0.029 230 HB2 ALA 539 2HB ALA 539 10.348 -3.696 -1.076 231 HB3 ALA 539 3HB ALA 539 10.116 -4.656 0.384 232 H GLU 540 H GLU 540 10.535 -0.008 0.512 233 HA GLU 540 HA GLU 540 13.386 0.143 0.090 234 HB2 GLU 540 2HB GLU 540 13.059 2.577 0.199 235 HB3 GLU 540 1HB GLU 540 11.940 1.823 -0.924 236 HG2 GLU 540 2HG GLU 540 10.284 1.834 1.035 237 HG3 GLU 540 1HG GLU 540 11.391 2.989 1.776 238 H GLY 541 H GLY 541 13.339 -1.249 2.201 239 HA2 GLY 541 2HA GLY 541 14.515 -1.180 4.260 240 HA3 GLY 541 1HA GLY 541 14.102 0.530 4.400 241 H ILE 542 H ILE 542 11.375 -0.716 3.319 242 HA ILE 542 HA ILE 542 9.990 -0.560 5.768 243 HB ILE 542 HB ILE 542 9.338 -0.894 2.932 244 HG12 ILE 542 2HG1 ILE 542 7.721 0.287 5.182 245 HG13 ILE 542 1HG1 ILE 542 9.064 1.134 4.423 246 HG21 ILE 542 1HG2 ILE 542 7.015 -1.742 3.459 247 HG22 ILE 542 2HG2 ILE 542 7.661 -2.287 5.007 248 HG23 ILE 542 3HG2 ILE 542 8.313 -2.939 3.499 249 HD11 ILE 542 3HD1 ILE 542 6.443 0.338 3.230 250 HD12 ILE 542 1HD1 ILE 542 7.835 0.748 2.231 251 HD13 ILE 542 2HD1 ILE 542 7.170 1.941 3.347 252 H TYR 543 H TYR 543 10.860 -3.284 3.649 253 HA TYR 543 HA TYR 543 9.548 -5.363 4.796 254 HB2 TYR 543 2HB TYR 543 11.458 -6.813 4.144 255 HB3 TYR 543 1HB TYR 543 10.937 -5.715 2.870 256 HD1 TYR 543 2HD TYR 543 12.271 -3.680 2.402 257 HD2 TYR 543 1HD TYR 543 13.651 -6.724 5.012 258 HE1 TYR 543 2HE TYR 543 14.567 -2.813 2.177 259 HE2 TYR 543 1HE TYR 543 15.954 -5.877 4.805 260 HH TYR 543 HH TYR 543 17.235 -4.473 2.924 261 H ALA 544 H ALA 544 12.188 -3.585 6.189 262 HA ALA 544 HA ALA 544 13.143 -5.332 8.114 263 HB1 ALA 544 1HB ALA 544 12.692 -2.372 8.431 264 HB2 ALA 544 2HB ALA 544 14.093 -3.116 7.659 265 HB3 ALA 544 3HB ALA 544 13.795 -3.369 9.379 266 H GLU 545 H GLU 545 10.047 -3.941 7.841 267 HA GLU 545 HA GLU 545 9.136 -3.708 10.437 268 HB2 GLU 545 2HB GLU 545 6.890 -4.386 9.375 269 HB3 GLU 545 1HB GLU 545 7.689 -2.961 8.729 270 HG2 GLU 545 2HG GLU 545 7.162 -3.972 6.778 271 HG3 GLU 545 1HG GLU 545 8.709 -4.760 7.063 272 H GLY 546 H GLY 546 9.250 -6.491 8.297 273 HA2 GLY 546 2HA GLY 546 9.037 -8.732 8.665 274 HA3 GLY 546 1HA GLY 546 9.924 -8.389 10.137 275 H LEU 547 H LEU 547 6.553 -7.759 9.054 276 HA LEU 547 HA LEU 547 5.448 -9.631 10.853 277 HB2 LEU 547 2HB LEU 547 4.670 -8.369 12.631 278 HB3 LEU 547 1HB LEU 547 6.307 -7.790 12.396 279 HG LEU 547 HG LEU 547 3.924 -6.353 11.248 280 HD11 LEU 547 1HD1 LEU 547 4.925 -6.441 14.015 281 HD12 LEU 547 2HD1 LEU 547 3.330 -6.019 13.393 282 HD13 LEU 547 3HD1 LEU 547 4.634 -4.834 13.350 283 HD21 LEU 547 3HD2 LEU 547 6.463 -6.041 10.588 284 HD22 LEU 547 1HD2 LEU 547 6.474 -5.067 12.058 285 HD23 LEU 547 2HD2 LEU 547 5.370 -4.665 10.742 286 H MET 548 H MET 548 4.843 -6.564 9.161 287 HA MET 548 HA MET 548 2.853 -7.603 7.510 288 HB2 MET 548 2HB MET 548 1.922 -6.825 10.170 289 HB3 MET 548 1HB MET 548 1.043 -6.029 8.872 290 HG2 MET 548 2HG MET 548 1.436 -8.892 8.452 291 HG3 MET 548 1HG MET 548 0.488 -8.497 9.885 292 HE1 MET 548 3HE MET 548 -0.368 -10.169 7.407 293 HE2 MET 548 1HE MET 548 -1.911 -9.549 6.817 294 HE3 MET 548 2HE MET 548 -1.691 -9.878 8.535 295 H HIS 549 H HIS 549 4.258 -4.835 9.095 296 HA HIS 549 HA HIS 549 3.085 -2.736 7.738 297 HB2 HIS 549 2HB HIS 549 5.490 -3.152 9.289 298 HB3 HIS 549 1HB HIS 549 5.768 -2.000 7.987 299 HD1 HIS 549 1HD HIS 549 2.370 -2.125 9.443 300 HD2 HIS 549 2HD HIS 549 5.863 0.065 9.946 301 HE1 HIS 549 1HE HIS 549 1.711 -0.121 10.795 302 HE2 HIS 549 2HE HIS 549 3.859 1.145 11.177 303 H ASN 550 H ASN 550 4.981 -5.213 6.360 304 HA ASN 550 HA ASN 550 6.136 -3.712 4.229 305 HB2 ASN 550 2HB ASN 550 6.589 -5.947 3.232 306 HB3 ASN 550 1HB ASN 550 7.154 -5.796 4.894 307 HD21 ASN 550 1HD2 ASN 550 7.077 -8.223 4.430 308 HD22 ASN 550 2HD2 ASN 550 5.627 -9.032 4.909 309 H GLN 551 H GLN 551 3.041 -3.936 4.799 310 HA GLN 551 HA GLN 551 1.677 -5.089 2.724 311 HB2 GLN 551 2HB GLN 551 0.016 -3.191 3.092 312 HB3 GLN 551 1HB GLN 551 0.439 -4.154 4.502 313 HG2 GLN 551 2HG GLN 551 2.260 -1.968 4.279 314 HG3 GLN 551 1HG GLN 551 0.610 -1.363 4.182 315 HE21 GLN 551 1HE2 GLN 551 1.446 -0.360 6.239 316 HE22 GLN 551 2HE2 GLN 551 1.178 -1.243 7.700 317 H ASP 552 H ASP 552 0.305 -3.481 1.183 318 HA ASP 552 HA ASP 552 2.196 -1.794 -0.310 319 HB2 ASP 552 2HB ASP 552 0.714 -4.186 -1.256 320 HB3 ASP 552 1HB ASP 552 0.744 -2.803 -2.345 321 H GLY 553 H GLY 553 -1.243 -2.799 -0.259 322 HA2 GLY 553 2HA GLY 553 -2.883 -1.094 0.412 323 HA3 GLY 553 1HA GLY 553 -1.923 0.068 -0.487 324 H LEU 554 H LEU 554 -3.000 -3.192 -1.433 325 HA LEU 554 HA LEU 554 -3.521 -2.787 -4.029 326 HB2 LEU 554 2HB LEU 554 -5.594 -4.379 -3.614 327 HB3 LEU 554 1HB LEU 554 -3.941 -4.949 -3.526 328 HG LEU 554 HG LEU 554 -4.646 -4.043 -0.932 329 HD11 LEU 554 1HD1 LEU 554 -6.861 -4.327 -0.876 330 HD12 LEU 554 2HD1 LEU 554 -6.488 -6.051 -0.866 331 HD13 LEU 554 3HD1 LEU 554 -6.878 -5.241 -2.384 332 HD21 LEU 554 3HD2 LEU 554 -3.022 -5.751 -1.329 333 HD22 LEU 554 1HD2 LEU 554 -4.219 -6.775 -2.121 334 HD23 LEU 554 2HD2 LEU 554 -4.339 -6.454 -0.391 335 H ILE 555 H ILE 555 -6.308 -2.683 -1.811 336 HA ILE 555 HA ILE 555 -8.228 -1.458 -1.842 337 HB ILE 555 HB ILE 555 -6.605 0.642 -3.271 338 HG12 ILE 555 2HG1 ILE 555 -5.346 0.234 -1.343 339 HG13 ILE 555 1HG1 ILE 555 -6.392 1.569 -0.880 340 HG21 ILE 555 1HG2 ILE 555 -8.305 2.003 -1.713 341 HG22 ILE 555 2HG2 ILE 555 -9.277 0.566 -2.031 342 HG23 ILE 555 3HG2 ILE 555 -8.674 1.538 -3.373 343 HD11 ILE 555 3HD1 ILE 555 -6.738 -1.325 -0.192 344 HD12 ILE 555 1HD1 ILE 555 -7.913 -0.066 0.174 345 HD13 ILE 555 2HD1 ILE 555 -6.306 -0.013 0.902 346 H CYS 556 H CYS 556 -9.887 -2.010 -3.082 347 HA CYS 556 HA CYS 556 -9.678 -2.631 -5.823 348 HB2 CYS 556 2HB CYS 556 -12.212 -1.962 -4.322 349 HB3 CYS 556 1HB CYS 556 -12.067 -2.937 -5.781 350 H GLY 557 H GLY 557 -10.342 0.330 -4.139 351 HA2 GLY 557 2HA GLY 557 -10.276 2.482 -5.032 352 HA3 GLY 557 1HA GLY 557 -10.245 1.782 -6.647 353 H LEU 558 H LEU 558 -12.607 0.793 -4.317 354 HA LEU 558 HA LEU 558 -14.858 0.886 -4.269 355 HB2 LEU 558 2HB LEU 558 -15.762 2.961 -4.097 356 HB3 LEU 558 1HB LEU 558 -14.065 3.389 -3.991 357 HG LEU 558 HG LEU 558 -14.976 3.354 -6.741 358 HD11 LEU 558 1HD1 LEU 558 -17.124 3.954 -5.907 359 HD12 LEU 558 2HD1 LEU 558 -16.363 5.413 -6.542 360 HD13 LEU 558 3HD1 LEU 558 -16.426 5.138 -4.801 361 HD21 LEU 558 3HD2 LEU 558 -13.579 5.112 -6.921 362 HD22 LEU 558 1HD2 LEU 558 -12.983 4.502 -5.379 363 HD23 LEU 558 2HD2 LEU 558 -14.125 5.847 -5.413 364 H ARG 559 H ARG 559 -13.267 0.491 -7.010 365 HA ARG 559 HA ARG 559 -13.841 -0.268 -9.076 366 HB2 ARG 559 2HB ARG 559 -16.721 -0.097 -8.186 367 HB3 ARG 559 1HB ARG 559 -16.060 -1.082 -9.482 368 HG2 ARG 559 2HG ARG 559 -16.078 -2.724 -7.976 369 HG3 ARG 559 1HG ARG 559 -14.622 -1.954 -7.343 370 HD2 ARG 559 2HD ARG 559 -16.166 -2.378 -5.533 371 HD3 ARG 559 1HD ARG 559 -16.027 -0.643 -5.794 372 HE ARG 559 HE ARG 559 -18.230 -0.579 -6.437 373 HH11 ARG 559 1HH1 ARG 559 -17.168 -3.901 -6.268 374 HH12 ARG 559 2HH1 ARG 559 -18.766 -4.550 -6.422 375 HH21 ARG 559 1HH2 ARG 559 -20.331 -1.433 -6.639 376 HH22 ARG 559 2HH2 ARG 559 -20.561 -3.150 -6.634 377 H GLN 560 H GLN 560 -14.642 0.492 -11.108 378 HA GLN 560 HA GLN 560 -16.240 2.768 -11.443 379 HB2 GLN 560 2HB GLN 560 -13.619 3.378 -10.563 380 HB3 GLN 560 1HB GLN 560 -13.704 3.832 -12.259 381 HG2 GLN 560 2HG GLN 560 -16.043 4.840 -11.306 382 HG3 GLN 560 1HG GLN 560 -14.975 5.035 -9.918 383 HE21 GLN 560 1HE2 GLN 560 -12.833 6.033 -10.420 384 HE22 GLN 560 2HE2 GLN 560 -12.814 7.341 -11.550 Start of MODEL 4 1 H1 ALA 507 1HT ALA 507 -19.965 1.710 4.103 2 H2 ALA 507 2HT ALA 507 -19.179 2.162 2.645 3 H3 ALA 507 3HT ALA 507 -18.422 2.453 4.157 4 HA ALA 507 HA ALA 507 -17.966 0.273 4.519 5 HB1 ALA 507 2HB ALA 507 -19.737 -0.525 2.222 6 HB2 ALA 507 3HB ALA 507 -20.305 -0.434 3.889 7 HB3 ALA 507 1HB ALA 507 -19.019 -1.560 3.456 8 H GLN 508 H GLN 508 -16.285 -0.899 3.550 9 HA GLN 508 HA GLN 508 -14.870 0.521 1.516 10 HB2 GLN 508 2HB GLN 508 -14.352 -1.736 3.327 11 HB3 GLN 508 1HB GLN 508 -13.531 -1.856 1.777 12 HG2 GLN 508 2HG GLN 508 -12.017 -0.775 3.184 13 HG3 GLN 508 1HG GLN 508 -12.714 0.508 2.195 14 HE21 GLN 508 1HE2 GLN 508 -14.481 1.743 3.156 15 HE22 GLN 508 2HE2 GLN 508 -14.460 2.037 4.858 16 HA PRO 509 HA PRO 509 -15.994 -2.014 -1.944 17 HB2 PRO 509 2HB PRO 509 -13.802 -1.838 -3.496 18 HB3 PRO 509 1HB PRO 509 -14.785 -0.424 -3.104 19 HG2 PRO 509 2HG PRO 509 -12.103 -1.153 -2.149 20 HG3 PRO 509 1HG PRO 509 -12.895 0.428 -2.173 21 HD2 PRO 509 2HD PRO 509 -12.637 -1.432 0.029 22 HD3 PRO 509 1HD PRO 509 -13.325 0.205 0.038 23 H LYS 510 H LYS 510 -14.405 -3.431 0.325 24 HA LYS 510 HA LYS 510 -13.564 -5.494 0.770 25 HB2 LYS 510 2HB LYS 510 -15.429 -5.887 -1.507 26 HB3 LYS 510 1HB LYS 510 -14.384 -7.233 -1.076 27 HG2 LYS 510 2HG LYS 510 -15.247 -7.208 1.193 28 HG3 LYS 510 1HG LYS 510 -16.258 -5.816 0.804 29 HD2 LYS 510 2HD LYS 510 -16.576 -8.120 -0.993 30 HD3 LYS 510 1HD LYS 510 -17.078 -8.403 0.675 31 HE2 LYS 510 2HE LYS 510 -18.060 -5.860 -0.086 32 HE3 LYS 510 1HE LYS 510 -18.436 -6.981 -1.393 33 HZ1 LYS 510 3HZ LYS 510 -19.178 -7.258 1.467 34 HZ2 LYS 510 1HZ LYS 510 -19.400 -8.477 0.314 35 HZ3 LYS 510 2HZ LYS 510 -20.222 -7.006 0.160 36 H CYS 511 H CYS 511 -11.646 -3.960 -0.306 37 HA CYS 511 HA CYS 511 -9.861 -5.856 -1.419 38 HB2 CYS 511 2HB CYS 511 -9.454 -4.377 -3.534 39 HB3 CYS 511 1HB CYS 511 -10.743 -5.575 -3.546 40 H ASN 512 H ASN 512 -9.755 -4.315 0.826 41 HA ASN 512 HA ASN 512 -7.656 -2.351 0.183 42 HB2 ASN 512 2HB ASN 512 -9.513 -2.291 2.570 43 HB3 ASN 512 1HB ASN 512 -8.324 -1.068 2.134 44 HD21 ASN 512 1HD2 ASN 512 -10.207 0.345 2.278 45 HD22 ASN 512 2HD2 ASN 512 -11.220 0.522 0.890 46 HA PRO 513 HA PRO 513 -5.284 -5.060 2.813 47 HB2 PRO 513 2HB PRO 513 -2.870 -4.129 2.287 48 HB3 PRO 513 1HB PRO 513 -3.836 -4.826 0.981 49 HG2 PRO 513 2HG PRO 513 -3.385 -1.948 1.672 50 HG3 PRO 513 1HG PRO 513 -3.358 -2.731 0.082 51 HD2 PRO 513 2HD PRO 513 -5.533 -1.385 1.166 52 HD3 PRO 513 1HD PRO 513 -5.627 -2.565 -0.153 53 H ASN 514 H ASN 514 -2.894 -4.116 3.987 54 HA ASN 514 HA ASN 514 -3.777 -3.186 6.479 55 HB2 ASN 514 2HB ASN 514 -1.214 -3.767 5.157 56 HB3 ASN 514 1HB ASN 514 -1.122 -2.624 6.489 57 HD21 ASN 514 1HD2 ASN 514 -2.539 -3.395 8.432 58 HD22 ASN 514 2HD2 ASN 514 -2.275 -5.034 8.909 59 H LEU 515 H LEU 515 -1.406 -1.554 4.452 60 HA LEU 515 HA LEU 515 -0.728 0.618 4.403 61 HB2 LEU 515 2HB LEU 515 -2.295 2.008 3.260 62 HB3 LEU 515 1HB LEU 515 -2.440 0.364 2.667 63 HG LEU 515 HG LEU 515 -4.336 0.450 4.650 64 HD11 LEU 515 1HD1 LEU 515 -5.241 2.787 3.233 65 HD12 LEU 515 2HD1 LEU 515 -3.750 3.123 4.113 66 HD13 LEU 515 3HD1 LEU 515 -5.156 2.488 4.969 67 HD21 LEU 515 3HD2 LEU 515 -4.221 -0.214 2.051 68 HD22 LEU 515 1HD2 LEU 515 -5.242 1.221 1.961 69 HD23 LEU 515 2HD2 LEU 515 -5.719 -0.139 2.978 70 H HIS 516 H HIS 516 -0.947 -0.009 6.994 71 HA HIS 516 HA HIS 516 -2.285 2.324 8.196 72 HB2 HIS 516 2HB HIS 516 -2.369 -0.470 8.887 73 HB3 HIS 516 1HB HIS 516 -1.710 0.458 10.230 74 HD1 HIS 516 1HD HIS 516 -4.408 1.705 7.901 75 HD2 HIS 516 2HD HIS 516 -3.944 0.429 11.828 76 HE1 HIS 516 1HE HIS 516 -6.595 2.212 9.035 77 HE2 HIS 516 2HE HIS 516 -6.319 1.353 11.388 78 H TYR 517 H TYR 517 0.732 1.053 7.433 79 HA TYR 517 HA TYR 517 2.103 1.974 9.795 80 HB2 TYR 517 2HB TYR 517 4.065 1.113 8.863 81 HB3 TYR 517 1HB TYR 517 2.823 0.049 8.222 82 HD1 TYR 517 2HD TYR 517 4.508 3.257 7.257 83 HD2 TYR 517 1HD TYR 517 3.029 -0.528 5.997 84 HE1 TYR 517 2HE TYR 517 5.280 3.721 4.978 85 HE2 TYR 517 1HE TYR 517 3.802 -0.073 3.714 86 HH TYR 517 HH TYR 517 4.376 1.780 2.300 87 H TRP 518 H TRP 518 1.158 3.308 6.757 88 HA TRP 518 HA TRP 518 2.803 5.684 7.236 89 HB2 TRP 518 2HB TRP 518 2.785 4.254 4.994 90 HB3 TRP 518 1HB TRP 518 1.394 5.277 4.653 91 HD1 TRP 518 HD TRP 518 2.007 7.363 3.367 92 HE1 TRP 518 1HE TRP 518 4.071 8.888 3.151 93 HE3 TRP 518 3HE TRP 518 5.084 5.018 6.695 94 HZ2 TRP 518 2HZ TRP 518 6.663 9.068 4.255 95 HZ3 TRP 518 3HZ TRP 518 7.341 5.928 7.062 96 HH2 TRP 518 HH TRP 518 8.113 7.911 5.865 97 H THR 519 H THR 519 1.889 7.457 7.803 98 HA THR 519 HA THR 519 -0.273 8.148 8.940 99 HB THR 519 HB THR 519 1.128 9.919 8.324 100 HG1 THR 519 1HG THR 519 -1.212 10.414 6.808 101 HG21 THR 519 3HG2 THR 519 2.015 10.301 6.326 102 HG22 THR 519 1HG2 THR 519 0.450 10.222 5.518 103 HG23 THR 519 2HG2 THR 519 1.340 8.738 5.860 104 H THR 520 H THR 520 -0.458 8.046 5.362 105 HA THR 520 HA THR 520 -2.907 6.701 5.277 106 HB THR 520 HB THR 520 -3.568 8.977 6.318 107 HG1 THR 520 1HG THR 520 -5.515 8.621 5.543 108 HG21 THR 520 3HG2 THR 520 -2.421 10.457 4.769 109 HG22 THR 520 1HG2 THR 520 -4.164 10.713 4.718 110 HG23 THR 520 2HG2 THR 520 -3.368 9.807 3.430 111 H GLN 521 H GLN 521 -1.088 9.301 3.672 112 HA GLN 521 HA GLN 521 -1.903 9.052 1.095 113 HB2 GLN 521 2HB GLN 521 0.374 9.720 0.395 114 HB3 GLN 521 1HB GLN 521 -0.261 10.701 1.710 115 HG2 GLN 521 2HG GLN 521 1.029 9.081 3.240 116 HG3 GLN 521 1HG GLN 521 1.891 8.629 1.770 117 HE21 GLN 521 1HE2 GLN 521 3.554 9.840 1.151 118 HE22 GLN 521 2HE2 GLN 521 3.972 11.381 1.809 119 H ASP 522 H ASP 522 -1.204 7.921 -0.743 120 HA ASP 522 HA ASP 522 -1.127 5.185 -0.528 121 HB2 ASP 522 2HB ASP 522 -0.216 5.241 -2.903 122 HB3 ASP 522 1HB ASP 522 -1.719 6.116 -2.625 123 H GLU 523 H GLU 523 0.355 4.423 0.947 124 HA GLU 523 HA GLU 523 3.182 4.988 0.557 125 HB2 GLU 523 2HB GLU 523 3.506 3.656 2.586 126 HB3 GLU 523 1HB GLU 523 2.332 4.935 2.828 127 HG2 GLU 523 2HG GLU 523 1.311 2.261 2.063 128 HG3 GLU 523 1HG GLU 523 1.937 2.467 3.699 129 H GLY 524 H GLY 524 2.626 3.923 -1.646 130 HA2 GLY 524 2HA GLY 524 3.830 2.181 -2.817 131 HA3 GLY 524 1HA GLY 524 3.466 1.103 -1.472 132 H ALA 525 H ALA 525 0.904 3.136 -2.233 133 HA ALA 525 HA ALA 525 -0.787 1.017 -3.005 134 HB1 ALA 525 1HB ALA 525 -1.521 3.858 -3.523 135 HB2 ALA 525 2HB ALA 525 -1.297 3.312 -1.862 136 HB3 ALA 525 3HB ALA 525 -2.505 2.539 -2.889 137 H ALA 526 H ALA 526 1.026 0.597 -4.830 138 HA ALA 526 HA ALA 526 1.487 0.397 -7.035 139 HB1 ALA 526 1HB ALA 526 -0.637 -0.615 -7.234 140 HB2 ALA 526 2HB ALA 526 -0.520 0.532 -8.569 141 HB3 ALA 526 3HB ALA 526 -1.467 0.938 -7.138 142 H ILE 527 H ILE 527 2.886 2.132 -7.119 143 HA ILE 527 HA ILE 527 2.358 4.054 -9.069 144 HB ILE 527 HB ILE 527 1.019 5.112 -7.404 145 HG12 ILE 527 2HG1 ILE 527 3.618 6.644 -7.416 146 HG13 ILE 527 1HG1 ILE 527 2.614 6.493 -8.856 147 HG21 ILE 527 1HG2 ILE 527 1.632 5.521 -5.215 148 HG22 ILE 527 2HG2 ILE 527 3.353 5.354 -5.567 149 HG23 ILE 527 3HG2 ILE 527 2.313 3.927 -5.547 150 HD11 ILE 527 3HD1 ILE 527 2.089 8.565 -7.867 151 HD12 ILE 527 1HD1 ILE 527 1.940 7.845 -6.264 152 HD13 ILE 527 2HD1 ILE 527 0.740 7.486 -7.505 153 H GLY 528 H GLY 528 4.197 3.556 -6.071 154 HA2 GLY 528 2HA GLY 528 6.445 3.517 -5.645 155 HA3 GLY 528 1HA GLY 528 6.642 3.067 -7.325 156 H ALA 529 H ALA 529 5.282 5.803 -7.975 157 HA ALA 529 HA ALA 529 6.115 7.765 -8.798 158 HB1 ALA 529 1HB ALA 529 5.715 7.994 -6.205 159 HB2 ALA 529 2HB ALA 529 6.439 9.304 -7.139 160 HB3 ALA 529 3HB ALA 529 7.464 8.229 -6.188 161 H ALA 530 H ALA 530 7.828 5.489 -9.285 162 HA ALA 530 HA ALA 530 10.018 6.559 -10.480 163 HB1 ALA 530 1HB ALA 530 10.393 6.573 -7.620 164 HB2 ALA 530 2HB ALA 530 11.437 7.218 -8.885 165 HB3 ALA 530 3HB ALA 530 11.588 5.531 -8.391 166 H TRP 531 H TRP 531 8.404 4.555 -11.112 167 HA TRP 531 HA TRP 531 8.109 2.256 -11.325 168 HB2 TRP 531 2HB TRP 531 10.217 1.377 -12.596 169 HB3 TRP 531 1HB TRP 531 9.154 2.564 -13.346 170 HD1 TRP 531 HD TRP 531 12.179 2.967 -10.940 171 HE1 TRP 531 1HE TRP 531 13.779 4.704 -11.970 172 HE3 TRP 531 3HE TRP 531 9.633 3.953 -15.260 173 HZ2 TRP 531 2HZ TRP 531 13.938 6.280 -14.308 174 HZ3 TRP 531 3HZ TRP 531 10.575 5.587 -16.840 175 HH2 TRP 531 HH TRP 531 12.683 6.726 -16.372 176 H ILE 532 H ILE 532 8.712 2.668 -8.791 177 HA ILE 532 HA ILE 532 10.374 0.354 -8.173 178 HB ILE 532 HB ILE 532 11.615 2.469 -7.901 179 HG12 ILE 532 2HG1 ILE 532 11.018 1.124 -5.253 180 HG13 ILE 532 1HG1 ILE 532 12.077 0.452 -6.485 181 HG21 ILE 532 1HG2 ILE 532 10.874 4.219 -6.665 182 HG22 ILE 532 2HG2 ILE 532 9.985 3.193 -5.535 183 HG23 ILE 532 3HG2 ILE 532 9.311 3.535 -7.136 184 HD11 ILE 532 3HD1 ILE 532 12.552 3.162 -5.307 185 HD12 ILE 532 1HD1 ILE 532 13.677 2.118 -6.175 186 HD13 ILE 532 2HD1 ILE 532 13.153 1.687 -4.543 187 HA PRO 533 HA PRO 533 6.330 1.140 -5.601 188 HB2 PRO 533 2HB PRO 533 4.454 -0.180 -7.096 189 HB3 PRO 533 1HB PRO 533 4.698 1.567 -7.154 190 HG2 PRO 533 2HG PRO 533 5.680 -0.542 -9.022 191 HG3 PRO 533 1HG PRO 533 5.048 1.072 -9.384 192 HD2 PRO 533 2HD PRO 533 7.684 0.503 -9.401 193 HD3 PRO 533 1HD PRO 533 7.046 2.095 -8.943 194 H TYR 534 H TYR 534 7.834 -1.304 -7.420 195 HA TYR 534 HA TYR 534 6.745 -3.648 -6.398 196 HB2 TYR 534 2HB TYR 534 9.575 -3.076 -7.317 197 HB3 TYR 534 1HB TYR 534 8.865 -4.678 -7.139 198 HD1 TYR 534 2HD TYR 534 8.753 -1.536 -9.154 199 HD2 TYR 534 1HD TYR 534 7.429 -5.583 -8.799 200 HE1 TYR 534 2HE TYR 534 7.920 -1.473 -11.459 201 HE2 TYR 534 1HE TYR 534 6.597 -5.511 -11.110 202 HH TYR 534 HH TYR 534 5.913 -2.966 -12.743 203 H PHE 535 H PHE 535 9.732 -1.963 -5.407 204 HA PHE 535 HA PHE 535 9.296 -2.971 -2.680 205 HB2 PHE 535 2HB PHE 535 11.901 -3.051 -2.593 206 HB3 PHE 535 1HB PHE 535 11.011 -4.388 -3.312 207 HD1 PHE 535 1HD PHE 535 12.988 -1.364 -4.076 208 HD2 PHE 535 2HD PHE 535 11.296 -4.968 -5.577 209 HE1 PHE 535 1HE PHE 535 14.277 -1.099 -6.155 210 HE2 PHE 535 2HE PHE 535 12.582 -4.710 -7.659 211 HZ PHE 535 HZ PHE 535 14.076 -2.774 -7.949 212 H GLY 536 H GLY 536 9.133 -0.305 -4.321 213 HA2 GLY 536 2HA GLY 536 11.009 1.486 -3.213 214 HA3 GLY 536 1HA GLY 536 9.452 1.930 -3.902 215 HA PRO 537 HA PRO 537 8.369 2.889 0.339 216 HB2 PRO 537 2HB PRO 537 5.941 3.836 -0.063 217 HB3 PRO 537 1HB PRO 537 7.309 4.665 -0.832 218 HG2 PRO 537 2HG PRO 537 5.492 2.576 -2.003 219 HG3 PRO 537 1HG PRO 537 5.871 4.183 -2.662 220 HD2 PRO 537 2HD PRO 537 7.148 1.922 -3.444 221 HD3 PRO 537 1HD PRO 537 7.964 3.501 -3.391 222 H ALA 538 H ALA 538 8.089 0.195 -0.852 223 HA ALA 538 HA ALA 538 5.863 -0.802 0.740 224 HB1 ALA 538 1HB ALA 538 5.378 -2.446 -0.933 225 HB2 ALA 538 2HB ALA 538 6.792 -1.976 -1.880 226 HB3 ALA 538 3HB ALA 538 5.421 -0.875 -1.734 227 H ALA 539 H ALA 539 9.121 -0.893 -0.292 228 HA ALA 539 HA ALA 539 9.761 -2.804 1.769 229 HB1 ALA 539 1HB ALA 539 11.015 -4.300 0.295 230 HB2 ALA 539 2HB ALA 539 10.420 -3.396 -1.098 231 HB3 ALA 539 3HB ALA 539 9.291 -4.279 -0.071 232 H GLU 540 H GLU 540 10.434 0.074 0.627 233 HA GLU 540 HA GLU 540 13.295 -0.034 0.313 234 HB2 GLU 540 2HB GLU 540 13.201 2.414 0.475 235 HB3 GLU 540 1HB GLU 540 12.045 1.802 -0.695 236 HG2 GLU 540 2HG GLU 540 10.347 1.930 1.228 237 HG3 GLU 540 1HG GLU 540 11.543 2.957 2.019 238 H GLY 541 H GLY 541 13.066 -1.467 2.380 239 HA2 GLY 541 2HA GLY 541 14.267 -1.476 4.457 240 HA3 GLY 541 1HA GLY 541 13.815 0.215 4.673 241 H ILE 542 H ILE 542 11.098 -0.668 3.550 242 HA ILE 542 HA ILE 542 9.705 -0.832 5.963 243 HB ILE 542 HB ILE 542 9.061 -0.897 3.088 244 HG12 ILE 542 2HG1 ILE 542 7.299 0.194 5.226 245 HG13 ILE 542 1HG1 ILE 542 8.874 0.939 4.988 246 HG21 ILE 542 1HG2 ILE 542 6.671 -1.623 3.629 247 HG22 ILE 542 2HG2 ILE 542 7.355 -2.370 5.074 248 HG23 ILE 542 3HG2 ILE 542 7.898 -2.885 3.473 249 HD11 ILE 542 3HD1 ILE 542 6.803 0.577 2.839 250 HD12 ILE 542 1HD1 ILE 542 8.343 1.421 2.693 251 HD13 ILE 542 2HD1 ILE 542 7.083 2.065 3.746 252 H TYR 543 H TYR 543 10.459 -3.321 3.533 253 HA TYR 543 HA TYR 543 9.132 -5.493 4.403 254 HB2 TYR 543 2HB TYR 543 10.920 -6.895 3.543 255 HB3 TYR 543 1HB TYR 543 10.662 -5.511 2.486 256 HD1 TYR 543 2HD TYR 543 12.190 -3.453 2.960 257 HD2 TYR 543 1HD TYR 543 13.069 -7.415 4.198 258 HE1 TYR 543 2HE TYR 543 14.577 -2.862 3.116 259 HE2 TYR 543 1HE TYR 543 15.458 -6.847 4.366 260 HH TYR 543 HH TYR 543 16.791 -4.105 3.015 261 H ALA 544 H ALA 544 11.806 -3.988 6.060 262 HA ALA 544 HA ALA 544 12.619 -5.992 7.792 263 HB1 ALA 544 1HB ALA 544 12.324 -3.062 8.418 264 HB2 ALA 544 2HB ALA 544 13.705 -3.804 7.609 265 HB3 ALA 544 3HB ALA 544 13.338 -4.215 9.284 266 H GLU 545 H GLU 545 9.610 -4.405 7.624 267 HA GLU 545 HA GLU 545 8.660 -4.408 10.218 268 HB2 GLU 545 2HB GLU 545 6.402 -4.804 9.063 269 HB3 GLU 545 1HB GLU 545 7.311 -3.382 8.572 270 HG2 GLU 545 2HG GLU 545 6.698 -4.177 6.534 271 HG3 GLU 545 1HG GLU 545 8.231 -5.020 6.728 272 H GLY 546 H GLY 546 8.689 -6.950 7.791 273 HA2 GLY 546 2HA GLY 546 8.349 -9.200 7.908 274 HA3 GLY 546 1HA GLY 546 9.197 -9.065 9.434 275 H LEU 547 H LEU 547 5.889 -8.166 8.327 276 HA LEU 547 HA LEU 547 4.674 -10.170 9.917 277 HB2 LEU 547 2HB LEU 547 3.861 -9.041 11.757 278 HB3 LEU 547 1HB LEU 547 5.501 -8.441 11.616 279 HG LEU 547 HG LEU 547 3.132 -6.938 10.518 280 HD11 LEU 547 1HD1 LEU 547 4.366 -6.843 13.257 281 HD12 LEU 547 2HD1 LEU 547 2.676 -7.113 12.830 282 HD13 LEU 547 3HD1 LEU 547 3.406 -5.526 12.584 283 HD21 LEU 547 3HD2 LEU 547 4.584 -5.159 10.248 284 HD22 LEU 547 1HD2 LEU 547 5.590 -6.539 9.809 285 HD23 LEU 547 2HD2 LEU 547 5.751 -5.804 11.403 286 H MET 548 H MET 548 4.162 -6.961 8.474 287 HA MET 548 HA MET 548 2.229 -7.843 6.659 288 HB2 MET 548 2HB MET 548 1.218 -7.322 9.325 289 HB3 MET 548 1HB MET 548 0.457 -6.269 8.140 290 HG2 MET 548 2HG MET 548 -0.472 -8.034 6.972 291 HG3 MET 548 1HG MET 548 0.672 -9.201 7.630 292 HE1 MET 548 3HE MET 548 -2.538 -7.069 8.283 293 HE2 MET 548 1HE MET 548 -3.458 -8.331 9.103 294 HE3 MET 548 2HE MET 548 -2.822 -8.614 7.482 295 H HIS 549 H HIS 549 3.646 -5.248 8.493 296 HA HIS 549 HA HIS 549 2.604 -3.028 7.189 297 HB2 HIS 549 2HB HIS 549 4.969 -3.613 8.829 298 HB3 HIS 549 1HB HIS 549 5.155 -2.234 7.750 299 HD1 HIS 549 1HD HIS 549 1.708 -2.652 8.817 300 HD2 HIS 549 2HD HIS 549 5.110 -0.782 10.300 301 HE1 HIS 549 1HE HIS 549 0.882 -1.027 10.532 302 HE2 HIS 549 2HE HIS 549 2.946 0.153 11.369 303 H ASN 550 H ASN 550 4.542 -5.470 5.841 304 HA ASN 550 HA ASN 550 5.964 -3.867 3.951 305 HB2 ASN 550 2HB ASN 550 6.395 -6.100 2.838 306 HB3 ASN 550 1HB ASN 550 6.941 -5.960 4.506 307 HD21 ASN 550 1HD2 ASN 550 6.909 -8.322 4.350 308 HD22 ASN 550 2HD2 ASN 550 5.430 -9.150 4.683 309 H GLN 551 H GLN 551 2.780 -4.270 4.192 310 HA GLN 551 HA GLN 551 1.767 -5.174 1.797 311 HB2 GLN 551 2HB GLN 551 -0.155 -3.698 2.267 312 HB3 GLN 551 1HB GLN 551 0.369 -4.580 3.694 313 HG2 GLN 551 2HG GLN 551 0.115 -2.510 4.595 314 HG3 GLN 551 1HG GLN 551 1.802 -2.416 4.101 315 HE21 GLN 551 1HE2 GLN 551 -1.279 -2.080 2.368 316 HE22 GLN 551 2HE2 GLN 551 -0.924 -0.530 1.692 317 H ASP 552 H ASP 552 0.400 -3.338 0.454 318 HA ASP 552 HA ASP 552 2.375 -1.411 -0.575 319 HB2 ASP 552 2HB ASP 552 0.749 -3.446 -2.038 320 HB3 ASP 552 1HB ASP 552 1.048 -1.898 -2.822 321 H GLY 553 H GLY 553 -1.088 -2.282 -0.614 322 HA2 GLY 553 2HA GLY 553 -2.641 -0.637 0.343 323 HA3 GLY 553 1HA GLY 553 -1.677 0.608 -0.434 324 H LEU 554 H LEU 554 -2.875 -2.468 -1.757 325 HA LEU 554 HA LEU 554 -3.488 -1.687 -4.259 326 HB2 LEU 554 2HB LEU 554 -5.580 -3.316 -3.935 327 HB3 LEU 554 1HB LEU 554 -3.933 -3.887 -4.107 328 HG LEU 554 HG LEU 554 -4.485 -3.390 -1.330 329 HD11 LEU 554 1HD1 LEU 554 -6.113 -5.642 -1.711 330 HD12 LEU 554 2HD1 LEU 554 -6.731 -4.394 -2.793 331 HD13 LEU 554 3HD1 LEU 554 -6.576 -4.067 -1.068 332 HD21 LEU 554 3HD2 LEU 554 -3.377 -5.347 -1.057 333 HD22 LEU 554 1HD2 LEU 554 -2.880 -5.001 -2.713 334 HD23 LEU 554 2HD2 LEU 554 -4.199 -6.130 -2.407 335 H ILE 555 H ILE 555 -6.388 -2.135 -2.286 336 HA ILE 555 HA ILE 555 -8.290 -0.890 -2.076 337 HB ILE 555 HB ILE 555 -6.585 1.495 -2.770 338 HG12 ILE 555 2HG1 ILE 555 -5.680 0.013 -0.903 339 HG13 ILE 555 1HG1 ILE 555 -5.943 1.708 -0.512 340 HG21 ILE 555 1HG2 ILE 555 -9.320 1.115 -1.782 341 HG22 ILE 555 2HG2 ILE 555 -8.611 2.452 -2.688 342 HG23 ILE 555 3HG2 ILE 555 -8.377 2.348 -0.943 343 HD11 ILE 555 3HD1 ILE 555 -8.332 0.464 0.126 344 HD12 ILE 555 1HD1 ILE 555 -7.087 1.013 1.244 345 HD13 ILE 555 2HD1 ILE 555 -7.083 -0.652 0.668 346 H CYS 556 H CYS 556 -9.901 -0.886 -3.504 347 HA CYS 556 HA CYS 556 -9.409 -0.714 -6.314 348 HB2 CYS 556 2HB CYS 556 -11.992 -0.815 -4.744 349 HB3 CYS 556 1HB CYS 556 -11.897 -0.897 -6.500 350 H GLY 557 H GLY 557 -10.574 1.473 -3.848 351 HA2 GLY 557 2HA GLY 557 -10.223 3.849 -4.161 352 HA3 GLY 557 1HA GLY 557 -10.587 3.623 -5.866 353 H LEU 558 H LEU 558 -12.865 1.931 -5.417 354 HA LEU 558 HA LEU 558 -14.823 3.019 -3.768 355 HB2 LEU 558 2HB LEU 558 -16.035 4.478 -5.214 356 HB3 LEU 558 1HB LEU 558 -14.373 5.032 -5.167 357 HG LEU 558 HG LEU 558 -15.280 3.217 -7.360 358 HD11 LEU 558 1HD1 LEU 558 -15.478 6.219 -7.475 359 HD12 LEU 558 2HD1 LEU 558 -16.857 5.155 -7.197 360 HD13 LEU 558 3HD1 LEU 558 -15.958 5.057 -8.712 361 HD21 LEU 558 3HD2 LEU 558 -13.506 4.467 -8.581 362 HD22 LEU 558 1HD2 LEU 558 -12.924 3.548 -7.191 363 HD23 LEU 558 2HD2 LEU 558 -13.124 5.298 -7.072 364 H ARG 559 H ARG 559 -13.931 0.527 -4.980 365 HA ARG 559 HA ARG 559 -14.682 -1.364 -5.981 366 HB2 ARG 559 2HB ARG 559 -16.961 -2.024 -5.513 367 HB3 ARG 559 1HB ARG 559 -16.237 -1.293 -4.087 368 HG2 ARG 559 2HG ARG 559 -17.823 0.467 -5.869 369 HG3 ARG 559 1HG ARG 559 -18.695 -0.734 -4.924 370 HD2 ARG 559 2HD ARG 559 -17.535 0.131 -2.888 371 HD3 ARG 559 1HD ARG 559 -16.870 1.425 -3.878 372 HE ARG 559 HE ARG 559 -18.934 2.441 -3.919 373 HH11 ARG 559 1HH1 ARG 559 -19.228 -0.757 -2.545 374 HH12 ARG 559 2HH1 ARG 559 -20.840 -0.497 -1.970 375 HH21 ARG 559 1HH2 ARG 559 -21.055 2.780 -3.164 376 HH22 ARG 559 2HH2 ARG 559 -21.878 1.509 -2.323 377 H GLN 560 H GLN 560 -15.106 -2.077 -7.971 378 HA GLN 560 HA GLN 560 -17.059 -0.798 -9.622 379 HB2 GLN 560 2HB GLN 560 -14.476 0.260 -9.697 380 HB3 GLN 560 1HB GLN 560 -14.579 -0.756 -11.128 381 HG2 GLN 560 2HG GLN 560 -16.076 0.585 -12.142 382 HG3 GLN 560 1HG GLN 560 -16.879 1.014 -10.633 383 HE21 GLN 560 1HE2 GLN 560 -15.876 2.606 -9.282 384 HE22 GLN 560 2HE2 GLN 560 -14.862 3.820 -9.979 Start of MODEL 5 1 H1 ALA 507 1HT ALA 507 -17.048 7.241 -0.199 2 H2 ALA 507 2HT ALA 507 -17.838 6.046 -1.144 3 H3 ALA 507 3HT ALA 507 -16.166 6.358 -1.374 4 HA ALA 507 HA ALA 507 -15.964 5.748 1.067 5 HB1 ALA 507 2HB ALA 507 -18.644 5.598 0.948 6 HB2 ALA 507 3HB ALA 507 -17.666 4.675 2.089 7 HB3 ALA 507 1HB ALA 507 -18.229 3.920 0.599 8 H GLN 508 H GLN 508 -15.900 3.144 1.449 9 HA GLN 508 HA GLN 508 -14.846 1.981 -1.043 10 HB2 GLN 508 2HB GLN 508 -13.104 0.865 0.319 11 HB3 GLN 508 1HB GLN 508 -12.971 2.617 0.346 12 HG2 GLN 508 2HG GLN 508 -14.554 2.124 2.517 13 HG3 GLN 508 1HG GLN 508 -13.468 0.735 2.517 14 HE21 GLN 508 1HE2 GLN 508 -12.023 1.139 4.044 15 HE22 GLN 508 2HE2 GLN 508 -11.090 2.586 4.193 16 HA PRO 509 HA PRO 509 -17.245 -1.562 0.170 17 HB2 PRO 509 2HB PRO 509 -16.483 -3.262 -1.702 18 HB3 PRO 509 1HB PRO 509 -17.215 -1.722 -2.172 19 HG2 PRO 509 2HG PRO 509 -14.355 -2.556 -2.231 20 HG3 PRO 509 1HG PRO 509 -15.239 -1.506 -3.349 21 HD2 PRO 509 2HD PRO 509 -13.601 -0.701 -1.165 22 HD3 PRO 509 1HD PRO 509 -14.636 0.341 -2.161 23 H LYS 510 H LYS 510 -14.488 -1.191 1.472 24 HA LYS 510 HA LYS 510 -13.128 -2.348 2.875 25 HB2 LYS 510 2HB LYS 510 -15.410 -4.283 2.599 26 HB3 LYS 510 1HB LYS 510 -14.020 -4.624 3.614 27 HG2 LYS 510 2HG LYS 510 -14.494 -2.806 5.047 28 HG3 LYS 510 1HG LYS 510 -15.681 -2.144 3.922 29 HD2 LYS 510 2HD LYS 510 -17.304 -3.371 4.827 30 HD3 LYS 510 1HD LYS 510 -16.369 -4.851 4.609 31 HE2 LYS 510 2HE LYS 510 -16.104 -2.924 6.914 32 HE3 LYS 510 1HE LYS 510 -16.948 -4.471 6.961 33 HZ1 LYS 510 3HZ LYS 510 -14.187 -4.540 6.053 34 HZ2 LYS 510 1HZ LYS 510 -15.027 -5.618 7.050 35 HZ3 LYS 510 2HZ LYS 510 -14.418 -4.175 7.688 36 H CYS 511 H CYS 511 -12.181 -2.321 0.405 37 HA CYS 511 HA CYS 511 -11.304 -5.087 -0.109 38 HB2 CYS 511 2HB CYS 511 -10.942 -4.363 -2.468 39 HB3 CYS 511 1HB CYS 511 -12.629 -4.300 -1.962 40 H ASN 512 H ASN 512 -10.030 -3.520 1.802 41 HA ASN 512 HA ASN 512 -7.564 -2.637 0.473 42 HB2 ASN 512 2HB ASN 512 -7.044 -1.498 2.607 43 HB3 ASN 512 1HB ASN 512 -8.568 -0.952 1.914 44 HD21 ASN 512 1HD2 ASN 512 -10.505 -1.540 2.898 45 HD22 ASN 512 2HD2 ASN 512 -10.563 -2.123 4.523 46 HA PRO 513 HA PRO 513 -5.519 -6.197 2.070 47 HB2 PRO 513 2HB PRO 513 -2.942 -5.439 1.801 48 HB3 PRO 513 1HB PRO 513 -3.970 -5.850 0.423 49 HG2 PRO 513 2HG PRO 513 -3.135 -3.178 1.434 50 HG3 PRO 513 1HG PRO 513 -3.392 -3.723 -0.226 51 HD2 PRO 513 2HD PRO 513 -5.188 -2.225 1.259 52 HD3 PRO 513 1HD PRO 513 -5.601 -3.184 -0.173 53 H ASN 514 H ASN 514 -3.197 -3.766 3.119 54 HA ASN 514 HA ASN 514 -3.809 -4.387 5.929 55 HB2 ASN 514 2HB ASN 514 -1.302 -4.739 4.410 56 HB3 ASN 514 1HB ASN 514 -1.134 -3.998 5.997 57 HD21 ASN 514 1HD2 ASN 514 -2.266 -6.830 4.275 58 HD22 ASN 514 2HD2 ASN 514 -2.201 -7.912 5.620 59 H LEU 515 H LEU 515 -1.493 -2.417 4.144 60 HA LEU 515 HA LEU 515 -0.686 -0.319 4.564 61 HB2 LEU 515 2HB LEU 515 -2.260 1.325 3.886 62 HB3 LEU 515 1HB LEU 515 -2.565 -0.150 2.985 63 HG LEU 515 HG LEU 515 -4.242 -0.375 5.161 64 HD11 LEU 515 1HD1 LEU 515 -5.092 2.236 4.215 65 HD12 LEU 515 2HD1 LEU 515 -3.569 2.298 5.100 66 HD13 LEU 515 3HD1 LEU 515 -5.001 1.602 5.858 67 HD21 LEU 515 3HD2 LEU 515 -4.660 0.490 2.324 68 HD22 LEU 515 1HD2 LEU 515 -6.008 0.266 3.437 69 HD23 LEU 515 2HD2 LEU 515 -4.947 -1.089 3.052 70 H HIS 516 H HIS 516 -0.768 -1.536 6.957 71 HA HIS 516 HA HIS 516 -2.261 0.028 8.863 72 HB2 HIS 516 2HB HIS 516 -1.645 -2.469 9.020 73 HB3 HIS 516 1HB HIS 516 -0.066 -1.901 9.547 74 HD1 HIS 516 1HD HIS 516 -2.548 0.370 10.804 75 HD2 HIS 516 2HD HIS 516 -1.071 -3.337 11.964 76 HE1 HIS 516 1HE HIS 516 -3.198 0.114 13.220 77 HE2 HIS 516 2HE HIS 516 -2.368 -2.173 13.875 78 H TYR 517 H TYR 517 0.645 0.552 7.228 79 HA TYR 517 HA TYR 517 1.773 2.020 9.503 80 HB2 TYR 517 2HB TYR 517 3.873 2.050 8.377 81 HB3 TYR 517 1HB TYR 517 3.241 0.417 8.250 82 HD1 TYR 517 1HD TYR 517 2.946 3.575 6.255 83 HD2 TYR 517 2HD TYR 517 3.721 -0.605 6.250 84 HE1 TYR 517 1HE TYR 517 3.273 3.652 3.831 85 HE2 TYR 517 2HE TYR 517 4.054 -0.543 3.818 86 HH TYR 517 HH TYR 517 3.467 0.821 1.911 87 H TRP 518 H TRP 518 0.181 2.486 6.489 88 HA TRP 518 HA TRP 518 0.873 5.318 6.417 89 HB2 TRP 518 2HB TRP 518 0.639 3.578 4.373 90 HB3 TRP 518 1HB TRP 518 -1.004 4.212 4.428 91 HD1 TRP 518 HD TRP 518 -1.304 6.176 2.838 92 HE1 TRP 518 1HE TRP 518 0.157 8.108 1.969 93 HE3 TRP 518 3HE TRP 518 3.026 5.119 5.338 94 HZ2 TRP 518 2HZ TRP 518 2.791 9.057 2.295 95 HZ3 TRP 518 3HZ TRP 518 4.969 6.588 5.006 96 HH2 TRP 518 HH TRP 518 4.853 8.517 3.515 97 H THR 519 H THR 519 -1.462 6.253 5.262 98 HA THR 519 HA THR 519 -3.371 5.961 7.474 99 HB THR 519 HB THR 519 -2.657 8.071 7.902 100 HG1 THR 519 1HG THR 519 -4.195 9.399 7.262 101 HG21 THR 519 3HG2 THR 519 -0.935 7.999 6.099 102 HG22 THR 519 1HG2 THR 519 -1.625 9.592 6.418 103 HG23 THR 519 2HG2 THR 519 -2.148 8.670 5.007 104 H THR 520 H THR 520 -2.867 6.240 4.040 105 HA THR 520 HA THR 520 -5.243 4.972 3.355 106 HB THR 520 HB THR 520 -6.110 7.256 4.268 107 HG1 THR 520 1HG THR 520 -7.279 5.618 3.022 108 HG21 THR 520 3HG2 THR 520 -5.377 8.068 1.463 109 HG22 THR 520 1HG2 THR 520 -4.698 8.736 2.949 110 HG23 THR 520 2HG2 THR 520 -6.406 8.973 2.576 111 H GLN 521 H GLN 521 -3.207 7.661 2.200 112 HA GLN 521 HA GLN 521 -3.434 7.350 -0.496 113 HB2 GLN 521 2HB GLN 521 -1.767 8.780 1.165 114 HB3 GLN 521 1HB GLN 521 -0.649 7.744 0.286 115 HG2 GLN 521 2HG GLN 521 -1.662 8.542 -1.832 116 HG3 GLN 521 1HG GLN 521 -2.628 9.677 -0.890 117 HE21 GLN 521 1HE2 GLN 521 0.441 8.988 -2.245 118 HE22 GLN 521 2HE2 GLN 521 1.231 10.449 -1.772 119 H ASP 522 H ASP 522 -2.259 6.284 -2.116 120 HA ASP 522 HA ASP 522 -1.913 3.549 -1.754 121 HB2 ASP 522 2HB ASP 522 -0.856 5.384 -3.909 122 HB3 ASP 522 1HB ASP 522 -0.759 3.628 -3.989 123 H GLU 523 H GLU 523 -0.572 3.276 0.067 124 HA GLU 523 HA GLU 523 2.166 4.188 -0.019 125 HB2 GLU 523 2HB GLU 523 2.400 3.132 2.137 126 HB3 GLU 523 1HB GLU 523 0.939 4.095 2.100 127 HG2 GLU 523 2HG GLU 523 0.870 1.145 1.595 128 HG3 GLU 523 1HG GLU 523 0.849 1.801 3.231 129 H GLY 524 H GLY 524 2.069 2.917 -2.196 130 HA2 GLY 524 2HA GLY 524 3.679 1.355 -3.084 131 HA3 GLY 524 1HA GLY 524 3.357 0.316 -1.697 132 H ALA 525 H ALA 525 0.604 1.816 -2.948 133 HA ALA 525 HA ALA 525 -0.618 -0.623 -3.661 134 HB1 ALA 525 1HB ALA 525 -1.695 2.007 -4.573 135 HB2 ALA 525 2HB ALA 525 -1.647 1.628 -2.852 136 HB3 ALA 525 3HB ALA 525 -2.553 0.595 -3.959 137 H ALA 526 H ALA 526 1.466 -0.904 -5.206 138 HA ALA 526 HA ALA 526 2.258 -1.191 -7.308 139 HB1 ALA 526 1HB ALA 526 0.606 -1.820 -8.999 140 HB2 ALA 526 2HB ALA 526 -0.683 -1.205 -7.964 141 HB3 ALA 526 3HB ALA 526 0.274 -2.594 -7.450 142 H ILE 527 H ILE 527 3.270 0.794 -7.458 143 HA ILE 527 HA ILE 527 2.611 2.348 -9.683 144 HB ILE 527 HB ILE 527 0.887 3.249 -8.301 145 HG12 ILE 527 2HG1 ILE 527 3.062 5.329 -8.207 146 HG13 ILE 527 1HG1 ILE 527 2.391 4.784 -9.740 147 HG21 ILE 527 1HG2 ILE 527 2.136 2.564 -6.193 148 HG22 ILE 527 2HG2 ILE 527 1.144 4.024 -6.132 149 HG23 ILE 527 3HG2 ILE 527 2.897 4.153 -6.291 150 HD11 ILE 527 3HD1 ILE 527 0.319 5.498 -7.857 151 HD12 ILE 527 1HD1 ILE 527 0.602 6.070 -9.501 152 HD13 ILE 527 2HD1 ILE 527 1.441 6.828 -8.147 153 H GLY 528 H GLY 528 4.137 2.508 -6.481 154 HA2 GLY 528 2HA GLY 528 6.281 2.989 -5.834 155 HA3 GLY 528 1HA GLY 528 6.764 2.484 -7.441 156 H ALA 529 H ALA 529 4.931 4.807 -8.457 157 HA ALA 529 HA ALA 529 5.389 6.858 -9.342 158 HB1 ALA 529 1HB ALA 529 4.718 7.191 -6.844 159 HB2 ALA 529 2HB ALA 529 5.337 8.550 -7.782 160 HB3 ALA 529 3HB ALA 529 6.398 7.697 -6.662 161 H ALA 530 H ALA 530 7.559 4.957 -9.546 162 HA ALA 530 HA ALA 530 9.572 6.388 -10.678 163 HB1 ALA 530 1HB ALA 530 11.144 5.816 -8.417 164 HB2 ALA 530 2HB ALA 530 9.713 6.649 -7.812 165 HB3 ALA 530 3HB ALA 530 10.715 7.406 -9.051 166 H TRP 531 H TRP 531 8.432 4.062 -11.253 167 HA TRP 531 HA TRP 531 8.618 1.745 -11.332 168 HB2 TRP 531 2HB TRP 531 10.955 1.257 -12.415 169 HB3 TRP 531 1HB TRP 531 9.717 2.135 -13.307 170 HD1 TRP 531 HD TRP 531 12.436 3.296 -10.796 171 HE1 TRP 531 1HE TRP 531 13.693 5.286 -11.849 172 HE3 TRP 531 3HE TRP 531 9.981 3.522 -15.269 173 HZ2 TRP 531 2HZ TRP 531 13.643 6.752 -14.262 174 HZ3 TRP 531 3HZ TRP 531 10.644 5.246 -16.896 175 HH2 TRP 531 HH TRP 531 12.438 6.827 -16.401 176 H ILE 532 H ILE 532 8.946 2.405 -8.798 177 HA ILE 532 HA ILE 532 11.011 0.534 -7.937 178 HB ILE 532 HB ILE 532 11.771 2.857 -7.712 179 HG12 ILE 532 2HG1 ILE 532 11.211 1.723 -4.967 180 HG13 ILE 532 1HG1 ILE 532 12.362 0.976 -6.065 181 HG21 ILE 532 1HG2 ILE 532 9.229 3.464 -7.191 182 HG22 ILE 532 2HG2 ILE 532 10.579 4.494 -6.697 183 HG23 ILE 532 3HG2 ILE 532 9.839 3.392 -5.534 184 HD11 ILE 532 3HD1 ILE 532 13.820 2.782 -5.944 185 HD12 ILE 532 1HD1 ILE 532 13.241 2.585 -4.287 186 HD13 ILE 532 2HD1 ILE 532 12.578 3.863 -5.310 187 HA PRO 533 HA PRO 533 6.738 0.545 -5.638 188 HB2 PRO 533 2HB PRO 533 5.245 -1.165 -7.162 189 HB3 PRO 533 1HB PRO 533 5.154 0.592 -7.297 190 HG2 PRO 533 2HG PRO 533 6.638 -1.359 -8.998 191 HG3 PRO 533 1HG PRO 533 5.722 0.080 -9.478 192 HD2 PRO 533 2HD PRO 533 8.416 0.049 -9.327 193 HD3 PRO 533 1HD PRO 533 7.450 1.499 -8.988 194 H TYR 534 H TYR 534 8.805 -1.615 -7.258 195 HA TYR 534 HA TYR 534 8.116 -4.088 -6.179 196 HB2 TYR 534 2HB TYR 534 10.836 -3.035 -6.993 197 HB3 TYR 534 1HB TYR 534 10.426 -4.732 -6.769 198 HD1 TYR 534 2HD TYR 534 9.845 -1.750 -8.934 199 HD2 TYR 534 1HD TYR 534 9.281 -5.957 -8.451 200 HE1 TYR 534 2HE TYR 534 9.147 -1.931 -11.278 201 HE2 TYR 534 1HE TYR 534 8.582 -6.131 -10.800 202 HH TYR 534 HH TYR 534 7.562 -3.745 -12.601 203 H PHE 535 H PHE 535 10.588 -1.754 -5.107 204 HA PHE 535 HA PHE 535 10.276 -2.803 -2.380 205 HB2 PHE 535 2HB PHE 535 12.796 -2.278 -2.146 206 HB3 PHE 535 1HB PHE 535 12.316 -3.763 -2.958 207 HD1 PHE 535 2HD PHE 535 13.276 -0.236 -3.645 208 HD2 PHE 535 1HD PHE 535 13.130 -4.243 -5.069 209 HE1 PHE 535 2HE PHE 535 14.591 0.421 -5.618 210 HE2 PHE 535 1HE PHE 535 14.446 -3.594 -7.045 211 HZ PHE 535 HZ PHE 535 15.178 -1.259 -7.321 212 H GLY 536 H GLY 536 9.628 -0.257 -4.151 213 HA2 GLY 536 2HA GLY 536 10.917 1.946 -2.988 214 HA3 GLY 536 1HA GLY 536 9.330 1.983 -3.747 215 HA PRO 537 HA PRO 537 7.890 2.728 0.432 216 HB2 PRO 537 2HB PRO 537 5.322 3.079 -0.077 217 HB3 PRO 537 1HB PRO 537 6.491 4.206 -0.791 218 HG2 PRO 537 2HG PRO 537 5.259 1.755 -2.027 219 HG3 PRO 537 1HG PRO 537 5.290 3.411 -2.680 220 HD2 PRO 537 2HD PRO 537 7.086 1.511 -3.393 221 HD3 PRO 537 1HD PRO 537 7.516 3.234 -3.305 222 H ALA 538 H ALA 538 8.215 0.017 -0.817 223 HA ALA 538 HA ALA 538 6.219 -1.441 0.729 224 HB1 ALA 538 1HB ALA 538 6.057 -3.071 -0.941 225 HB2 ALA 538 2HB ALA 538 7.556 -2.553 -1.718 226 HB3 ALA 538 3HB ALA 538 6.104 -1.561 -1.852 227 H ALA 539 H ALA 539 9.477 -0.831 -0.170 228 HA ALA 539 HA ALA 539 10.402 -2.486 1.993 229 HB1 ALA 539 1HB ALA 539 10.287 -4.043 0.098 230 HB2 ALA 539 2HB ALA 539 11.924 -3.829 0.717 231 HB3 ALA 539 3HB ALA 539 11.433 -3.024 -0.772 232 H GLU 540 H GLU 540 10.512 0.425 0.837 233 HA GLU 540 HA GLU 540 13.340 0.917 0.567 234 HB2 GLU 540 2HB GLU 540 12.730 3.291 0.736 235 HB3 GLU 540 1HB GLU 540 11.744 2.457 -0.455 236 HG2 GLU 540 2HG GLU 540 9.950 3.264 0.553 237 HG3 GLU 540 1HG GLU 540 10.335 2.250 1.942 238 H GLY 541 H GLY 541 13.453 -0.525 2.610 239 HA2 GLY 541 2HA GLY 541 14.457 -0.439 4.738 240 HA3 GLY 541 1HA GLY 541 13.920 1.234 4.892 241 H ILE 542 H ILE 542 11.426 -0.435 3.626 242 HA ILE 542 HA ILE 542 9.879 -0.361 6.020 243 HB ILE 542 HB ILE 542 9.407 -0.621 3.145 244 HG12 ILE 542 2HG1 ILE 542 7.703 0.361 5.438 245 HG13 ILE 542 1HG1 ILE 542 8.856 1.340 4.538 246 HG21 ILE 542 1HG2 ILE 542 7.186 -1.722 3.429 247 HG22 ILE 542 2HG2 ILE 542 7.693 -2.211 5.045 248 HG23 ILE 542 3HG2 ILE 542 8.572 -2.796 3.628 249 HD11 ILE 542 3HD1 ILE 542 7.381 1.738 2.946 250 HD12 ILE 542 1HD1 ILE 542 6.170 0.993 3.985 251 HD13 ILE 542 2HD1 ILE 542 7.007 0.023 2.772 252 H TYR 543 H TYR 543 11.253 -2.892 3.959 253 HA TYR 543 HA TYR 543 10.015 -5.142 4.862 254 HB2 TYR 543 2HB TYR 543 12.207 -6.336 4.484 255 HB3 TYR 543 1HB TYR 543 11.623 -5.367 3.135 256 HD1 TYR 543 2HD TYR 543 12.677 -3.214 2.626 257 HD2 TYR 543 1HD TYR 543 14.244 -5.805 5.595 258 HE1 TYR 543 2HE TYR 543 14.814 -1.986 2.550 259 HE2 TYR 543 1HE TYR 543 16.388 -4.594 5.540 260 HH TYR 543 HH TYR 543 17.653 -3.164 3.988 261 H ALA 544 H ALA 544 12.244 -3.147 6.627 262 HA ALA 544 HA ALA 544 13.161 -4.839 8.611 263 HB1 ALA 544 1HB ALA 544 13.812 -2.466 8.317 264 HB2 ALA 544 2HB ALA 544 13.430 -2.887 9.988 265 HB3 ALA 544 3HB ALA 544 12.262 -1.995 9.015 266 H GLU 545 H GLU 545 9.967 -3.831 7.981 267 HA GLU 545 HA GLU 545 8.708 -3.856 10.439 268 HB2 GLU 545 2HB GLU 545 6.727 -4.748 9.059 269 HB3 GLU 545 1HB GLU 545 7.415 -3.206 8.572 270 HG2 GLU 545 2HG GLU 545 7.328 -4.149 6.532 271 HG3 GLU 545 1HG GLU 545 8.869 -4.841 7.026 272 H GLY 546 H GLY 546 9.439 -6.478 8.219 273 HA2 GLY 546 2HA GLY 546 9.474 -8.744 8.462 274 HA3 GLY 546 1HA GLY 546 10.119 -8.386 10.051 275 H LEU 547 H LEU 547 6.849 -7.448 9.151 276 HA LEU 547 HA LEU 547 5.773 -9.770 10.542 277 HB2 LEU 547 2HB LEU 547 4.642 -8.641 12.213 278 HB3 LEU 547 1HB LEU 547 6.204 -7.851 12.173 279 HG LEU 547 HG LEU 547 3.826 -6.711 10.723 280 HD11 LEU 547 1HD1 LEU 547 3.738 -7.125 13.378 281 HD12 LEU 547 2HD1 LEU 547 2.995 -5.741 12.577 282 HD13 LEU 547 3HD1 LEU 547 4.580 -5.577 13.333 283 HD21 LEU 547 3HD2 LEU 547 6.381 -6.059 10.475 284 HD22 LEU 547 1HD2 LEU 547 6.018 -5.112 11.917 285 HD23 LEU 547 2HD2 LEU 547 5.099 -4.849 10.435 286 H MET 548 H MET 548 5.018 -6.788 8.766 287 HA MET 548 HA MET 548 3.419 -8.009 6.861 288 HB2 MET 548 2HB MET 548 2.044 -7.563 9.386 289 HB3 MET 548 1HB MET 548 1.243 -6.750 8.049 290 HG2 MET 548 2HG MET 548 2.064 -9.573 7.666 291 HG3 MET 548 1HG MET 548 0.687 -9.242 8.715 292 HE1 MET 548 3HE MET 548 2.042 -8.829 4.919 293 HE2 MET 548 1HE MET 548 0.624 -9.693 4.323 294 HE3 MET 548 2HE MET 548 1.629 -10.409 5.584 295 H HIS 549 H HIS 549 4.242 -5.165 8.674 296 HA HIS 549 HA HIS 549 2.953 -3.137 7.362 297 HB2 HIS 549 2HB HIS 549 5.389 -3.407 8.917 298 HB3 HIS 549 1HB HIS 549 5.524 -2.134 7.709 299 HD1 HIS 549 1HD HIS 549 2.097 -2.508 8.861 300 HD2 HIS 549 2HD HIS 549 5.491 -0.477 10.131 301 HE1 HIS 549 1HE HIS 549 1.273 -0.765 10.460 302 HE2 HIS 549 2HE HIS 549 3.351 0.383 11.303 303 H ASN 550 H ASN 550 5.316 -5.264 6.011 304 HA ASN 550 HA ASN 550 6.214 -3.550 3.928 305 HB2 ASN 550 2HB ASN 550 7.153 -5.605 2.938 306 HB3 ASN 550 1HB ASN 550 7.558 -5.447 4.646 307 HD21 ASN 550 1HD2 ASN 550 7.721 -7.857 3.336 308 HD22 ASN 550 2HD2 ASN 550 6.509 -8.925 3.947 309 H GLN 551 H GLN 551 3.190 -4.493 4.398 310 HA GLN 551 HA GLN 551 2.225 -5.775 2.166 311 HB2 GLN 551 2HB GLN 551 0.108 -4.518 2.608 312 HB3 GLN 551 1HB GLN 551 0.796 -5.287 4.033 313 HG2 GLN 551 2HG GLN 551 0.144 -3.177 4.768 314 HG3 GLN 551 1HG GLN 551 1.882 -3.035 4.520 315 HE21 GLN 551 1HE2 GLN 551 2.657 -1.658 3.002 316 HE22 GLN 551 2HE2 GLN 551 1.668 -0.589 2.075 317 H ASP 552 H ASP 552 0.515 -4.353 0.723 318 HA ASP 552 HA ASP 552 2.206 -2.440 -0.745 319 HB2 ASP 552 2HB ASP 552 0.242 -4.509 -1.618 320 HB3 ASP 552 1HB ASP 552 0.389 -3.047 -2.589 321 H GLY 553 H GLY 553 -1.306 -3.080 -0.650 322 HA2 GLY 553 2HA GLY 553 -2.770 -1.478 0.508 323 HA3 GLY 553 1HA GLY 553 -1.686 -0.211 -0.043 324 H LEU 554 H LEU 554 -3.052 -2.949 -1.846 325 HA LEU 554 HA LEU 554 -3.495 -1.806 -4.222 326 HB2 LEU 554 2HB LEU 554 -5.721 -3.256 -4.218 327 HB3 LEU 554 1HB LEU 554 -4.124 -3.965 -4.345 328 HG LEU 554 HG LEU 554 -4.745 -3.764 -1.580 329 HD11 LEU 554 1HD1 LEU 554 -7.118 -3.847 -2.935 330 HD12 LEU 554 2HD1 LEU 554 -6.858 -4.412 -1.285 331 HD13 LEU 554 3HD1 LEU 554 -6.793 -5.554 -2.628 332 HD21 LEU 554 3HD2 LEU 554 -3.368 -5.501 -2.034 333 HD22 LEU 554 1HD2 LEU 554 -4.138 -5.849 -3.582 334 HD23 LEU 554 2HD2 LEU 554 -4.894 -6.383 -2.080 335 H ILE 555 H ILE 555 -6.374 -2.114 -2.160 336 HA ILE 555 HA ILE 555 -8.151 -0.743 -1.819 337 HB ILE 555 HB ILE 555 -6.303 1.504 -2.613 338 HG12 ILE 555 2HG1 ILE 555 -5.120 0.678 -0.836 339 HG13 ILE 555 1HG1 ILE 555 -6.286 1.660 0.039 340 HG21 ILE 555 1HG2 ILE 555 -7.920 2.593 -0.805 341 HG22 ILE 555 2HG2 ILE 555 -9.012 1.356 -1.429 342 HG23 ILE 555 3HG2 ILE 555 -8.316 2.550 -2.523 343 HD11 ILE 555 3HD1 ILE 555 -7.688 -0.461 0.186 344 HD12 ILE 555 1HD1 ILE 555 -6.240 -0.360 1.184 345 HD13 ILE 555 2HD1 ILE 555 -6.221 -1.305 -0.303 346 H CYS 556 H CYS 556 -9.864 -0.545 -3.077 347 HA CYS 556 HA CYS 556 -9.713 -0.644 -5.887 348 HB2 CYS 556 2HB CYS 556 -12.068 0.145 -4.156 349 HB3 CYS 556 1HB CYS 556 -12.149 -0.354 -5.841 350 H GLY 557 H GLY 557 -10.039 1.997 -3.612 351 HA2 GLY 557 2HA GLY 557 -9.169 4.160 -4.203 352 HA3 GLY 557 1HA GLY 557 -9.690 3.871 -5.854 353 H LEU 558 H LEU 558 -12.314 2.891 -5.113 354 HA LEU 558 HA LEU 558 -13.748 4.649 -3.495 355 HB2 LEU 558 2HB LEU 558 -14.616 6.276 -4.958 356 HB3 LEU 558 1HB LEU 558 -12.886 6.262 -5.236 357 HG LEU 558 HG LEU 558 -14.376 4.479 -7.025 358 HD11 LEU 558 1HD1 LEU 558 -16.057 5.915 -7.395 359 HD12 LEU 558 2HD1 LEU 558 -14.854 6.764 -8.368 360 HD13 LEU 558 3HD1 LEU 558 -15.182 7.287 -6.716 361 HD21 LEU 558 3HD2 LEU 558 -12.943 5.656 -8.691 362 HD22 LEU 558 1HD2 LEU 558 -12.056 4.872 -7.383 363 HD23 LEU 558 2HD2 LEU 558 -12.291 6.621 -7.367 364 H ARG 559 H ARG 559 -13.586 1.927 -5.160 365 HA ARG 559 HA ARG 559 -15.003 0.381 -6.010 366 HB2 ARG 559 2HB ARG 559 -17.149 0.100 -4.792 367 HB3 ARG 559 1HB ARG 559 -15.747 0.213 -3.747 368 HG2 ARG 559 2HG ARG 559 -17.449 1.447 -2.709 369 HG3 ARG 559 1HG ARG 559 -16.350 2.636 -3.392 370 HD2 ARG 559 2HD ARG 559 -17.846 2.983 -5.270 371 HD3 ARG 559 1HD ARG 559 -18.902 1.695 -4.696 372 HE ARG 559 HE ARG 559 -18.779 4.403 -3.738 373 HH11 ARG 559 1HH1 ARG 559 -19.680 1.124 -2.952 374 HH12 ARG 559 2HH1 ARG 559 -20.827 1.595 -1.744 375 HH21 ARG 559 1HH2 ARG 559 -20.288 5.025 -2.149 376 HH22 ARG 559 2HH2 ARG 559 -21.173 3.810 -1.288 377 H GLN 560 H GLN 560 -17.313 0.014 -6.935 378 HA GLN 560 HA GLN 560 -18.650 2.270 -8.033 379 HB2 GLN 560 2HB GLN 560 -16.665 2.325 -9.459 380 HB3 GLN 560 1HB GLN 560 -16.912 0.638 -9.893 381 HG2 GLN 560 2HG GLN 560 -19.240 1.497 -10.707 382 HG3 GLN 560 1HG GLN 560 -18.421 3.057 -10.748 383 HE21 GLN 560 1HE2 GLN 560 -19.129 0.319 -12.473 384 HE22 GLN 560 2HE2 GLN 560 -17.943 0.463 -13.721 Start of MODEL 6 1 H1 ALA 507 1HT ALA 507 -18.137 6.027 -2.552 2 H2 ALA 507 2HT ALA 507 -17.490 4.980 -3.750 3 H3 ALA 507 3HT ALA 507 -16.481 5.584 -2.499 4 HA ALA 507 HA ALA 507 -17.649 4.379 -0.876 5 HB1 ALA 507 2HB ALA 507 -19.666 3.409 -1.168 6 HB2 ALA 507 3HB ALA 507 -19.305 2.906 -2.819 7 HB3 ALA 507 1HB ALA 507 -19.790 4.569 -2.491 8 H GLN 508 H GLN 508 -16.242 2.860 -0.334 9 HA GLN 508 HA GLN 508 -14.805 1.397 -2.368 10 HB2 GLN 508 2HB GLN 508 -14.574 1.079 0.623 11 HB3 GLN 508 1HB GLN 508 -13.389 0.632 -0.596 12 HG2 GLN 508 2HG GLN 508 -12.668 2.775 -0.888 13 HG3 GLN 508 1HG GLN 508 -14.215 3.478 -0.421 14 HE21 GLN 508 1HE2 GLN 508 -14.166 4.520 1.424 15 HE22 GLN 508 2HE2 GLN 508 -13.148 4.166 2.774 16 HA PRO 509 HA PRO 509 -17.273 -2.270 -1.842 17 HB2 PRO 509 2HB PRO 509 -16.010 -3.807 -3.639 18 HB3 PRO 509 1HB PRO 509 -16.937 -2.386 -4.128 19 HG2 PRO 509 2HG PRO 509 -14.022 -2.792 -4.081 20 HG3 PRO 509 1HG PRO 509 -14.979 -1.632 -5.013 21 HD2 PRO 509 2HD PRO 509 -13.549 -1.213 -2.532 22 HD3 PRO 509 1HD PRO 509 -14.413 -0.022 -3.524 23 H LYS 510 H LYS 510 -14.796 -1.830 -0.083 24 HA LYS 510 HA LYS 510 -13.641 -2.984 1.485 25 HB2 LYS 510 2HB LYS 510 -15.662 -5.077 0.713 26 HB3 LYS 510 1HB LYS 510 -14.490 -5.312 1.999 27 HG2 LYS 510 2HG LYS 510 -15.636 -4.047 3.440 28 HG3 LYS 510 1HG LYS 510 -15.991 -2.820 2.222 29 HD2 LYS 510 2HD LYS 510 -17.772 -4.238 1.316 30 HD3 LYS 510 1HD LYS 510 -17.417 -5.462 2.536 31 HE2 LYS 510 2HE LYS 510 -18.449 -4.309 4.181 32 HE3 LYS 510 1HE LYS 510 -17.915 -2.747 3.563 33 HZ1 LYS 510 3HZ LYS 510 -19.767 -2.502 2.340 34 HZ2 LYS 510 1HZ LYS 510 -20.431 -3.613 3.432 35 HZ3 LYS 510 2HZ LYS 510 -19.864 -4.139 1.928 36 H CYS 511 H CYS 511 -12.098 -2.735 -0.523 37 HA CYS 511 HA CYS 511 -10.918 -5.389 -0.951 38 HB2 CYS 511 2HB CYS 511 -10.283 -4.668 -3.264 39 HB3 CYS 511 1HB CYS 511 -12.013 -4.888 -3.030 40 H ASN 512 H ASN 512 -10.180 -3.608 1.037 41 HA ASN 512 HA ASN 512 -7.623 -2.520 0.052 42 HB2 ASN 512 2HB ASN 512 -9.024 -1.766 2.618 43 HB3 ASN 512 1HB ASN 512 -7.669 -0.944 1.853 44 HD21 ASN 512 1HD2 ASN 512 -9.967 0.388 2.594 45 HD22 ASN 512 2HD2 ASN 512 -10.797 0.921 1.176 46 HA PRO 513 HA PRO 513 -5.773 -5.606 2.640 47 HB2 PRO 513 2HB PRO 513 -3.187 -4.966 2.311 48 HB3 PRO 513 1HB PRO 513 -4.157 -5.662 1.008 49 HG2 PRO 513 2HG PRO 513 -3.265 -2.861 1.414 50 HG3 PRO 513 1HG PRO 513 -3.523 -3.752 -0.088 51 HD2 PRO 513 2HD PRO 513 -5.294 -1.912 1.090 52 HD3 PRO 513 1HD PRO 513 -5.670 -3.027 -0.234 53 H ASN 514 H ASN 514 -3.330 -3.157 3.204 54 HA ASN 514 HA ASN 514 -4.268 -2.838 5.972 55 HB2 ASN 514 2HB ASN 514 -1.705 -3.911 4.965 56 HB3 ASN 514 1HB ASN 514 -1.597 -2.774 6.304 57 HD21 ASN 514 1HD2 ASN 514 -2.330 -5.951 5.350 58 HD22 ASN 514 2HD2 ASN 514 -2.814 -6.557 6.893 59 H LEU 515 H LEU 515 -1.442 -1.756 4.155 60 HA LEU 515 HA LEU 515 -0.390 0.279 4.139 61 HB2 LEU 515 2HB LEU 515 -1.543 1.818 2.738 62 HB3 LEU 515 1HB LEU 515 -1.945 0.190 2.218 63 HG LEU 515 HG LEU 515 -3.959 0.789 3.997 64 HD11 LEU 515 1HD1 LEU 515 -2.844 3.244 3.363 65 HD12 LEU 515 2HD1 LEU 515 -4.453 2.961 4.027 66 HD13 LEU 515 3HD1 LEU 515 -4.233 3.109 2.283 67 HD21 LEU 515 3HD2 LEU 515 -3.827 0.952 1.001 68 HD22 LEU 515 1HD2 LEU 515 -5.333 1.064 1.911 69 HD23 LEU 515 2HD2 LEU 515 -4.360 -0.404 1.996 70 H HIS 516 H HIS 516 -1.000 -0.146 6.706 71 HA HIS 516 HA HIS 516 -2.177 2.384 7.641 72 HB2 HIS 516 2HB HIS 516 -2.656 -0.332 8.408 73 HB3 HIS 516 1HB HIS 516 -2.012 0.547 9.789 74 HD1 HIS 516 1HD HIS 516 -4.158 2.331 7.307 75 HD2 HIS 516 2HD HIS 516 -4.516 0.559 11.048 76 HE1 HIS 516 1HE HIS 516 -6.397 3.064 8.186 77 HE2 HIS 516 2HE HIS 516 -6.635 1.897 10.405 78 H TYR 517 H TYR 517 0.808 0.830 7.327 79 HA TYR 517 HA TYR 517 1.948 1.492 9.825 80 HB2 TYR 517 2HB TYR 517 4.027 0.879 8.950 81 HB3 TYR 517 1HB TYR 517 2.882 -0.116 8.064 82 HD1 TYR 517 1HD TYR 517 4.552 3.219 7.731 83 HD2 TYR 517 2HD TYR 517 3.233 -0.335 5.804 84 HE1 TYR 517 1HE TYR 517 5.508 4.016 5.621 85 HE2 TYR 517 2HE TYR 517 4.185 0.454 3.689 86 HH TYR 517 HH TYR 517 5.370 3.681 3.287 87 H TRP 518 H TRP 518 1.203 3.423 7.064 88 HA TRP 518 HA TRP 518 2.877 5.612 8.021 89 HB2 TRP 518 2HB TRP 518 2.474 4.847 5.494 90 HB3 TRP 518 1HB TRP 518 1.134 5.982 5.660 91 HD1 TRP 518 HD TRP 518 1.791 8.277 4.820 92 HE1 TRP 518 1HE TRP 518 3.908 9.742 4.839 93 HE3 TRP 518 3HE TRP 518 4.957 5.076 7.221 94 HZ2 TRP 518 2HZ TRP 518 6.571 9.560 5.757 95 HZ3 TRP 518 3HZ TRP 518 7.272 5.795 7.637 96 HH2 TRP 518 HH TRP 518 8.061 7.991 6.920 97 H THR 519 H THR 519 1.275 7.741 7.166 98 HA THR 519 HA THR 519 -1.125 7.466 8.797 99 HB THR 519 HB THR 519 0.068 8.413 10.475 100 HG1 THR 519 1HG THR 519 -0.327 10.792 8.996 101 HG21 THR 519 3HG2 THR 519 2.196 8.433 9.188 102 HG22 THR 519 1HG2 THR 519 2.001 9.782 10.307 103 HG23 THR 519 2HG2 THR 519 1.748 10.026 8.579 104 H THR 520 H THR 520 0.090 8.416 5.866 105 HA THR 520 HA THR 520 -2.335 9.890 5.320 106 HB THR 520 HB THR 520 0.198 11.281 5.768 107 HG1 THR 520 1HG THR 520 -1.183 12.889 6.302 108 HG21 THR 520 3HG2 THR 520 -1.336 11.806 3.243 109 HG22 THR 520 1HG2 THR 520 0.403 11.605 3.455 110 HG23 THR 520 2HG2 THR 520 -0.395 13.057 4.056 111 H GLN 521 H GLN 521 0.899 9.576 3.822 112 HA GLN 521 HA GLN 521 -0.158 9.487 1.213 113 HB2 GLN 521 2HB GLN 521 2.053 8.926 0.463 114 HB3 GLN 521 1HB GLN 521 2.167 10.148 1.721 115 HG2 GLN 521 2HG GLN 521 3.432 8.845 2.987 116 HG3 GLN 521 1HG GLN 521 2.326 7.483 2.821 117 HE21 GLN 521 1HE2 GLN 521 5.041 7.110 2.944 118 HE22 GLN 521 2HE2 GLN 521 5.621 6.560 1.412 119 H ASP 522 H ASP 522 0.021 7.768 -0.320 120 HA ASP 522 HA ASP 522 -1.403 5.509 0.378 121 HB2 ASP 522 2HB ASP 522 0.259 6.277 -1.974 122 HB3 ASP 522 1HB ASP 522 -0.262 4.602 -1.841 123 H GLU 523 H GLU 523 1.918 6.157 0.774 124 HA GLU 523 HA GLU 523 3.743 4.896 1.315 125 HB2 GLU 523 2HB GLU 523 3.390 3.581 3.354 126 HB3 GLU 523 1HB GLU 523 2.673 5.175 3.441 127 HG2 GLU 523 2HG GLU 523 1.094 3.791 4.422 128 HG3 GLU 523 1HG GLU 523 0.487 4.012 2.787 129 H GLY 524 H GLY 524 2.302 3.791 -0.923 130 HA2 GLY 524 2HA GLY 524 3.261 1.875 -2.106 131 HA3 GLY 524 1HA GLY 524 3.099 0.965 -0.609 132 H ALA 525 H ALA 525 0.503 3.032 -1.220 133 HA ALA 525 HA ALA 525 -1.336 0.906 -1.448 134 HB1 ALA 525 1HB ALA 525 -2.289 3.552 -2.269 135 HB2 ALA 525 2HB ALA 525 -1.516 3.499 -0.685 136 HB3 ALA 525 3HB ALA 525 -2.899 2.459 -1.027 137 H ALA 526 H ALA 526 0.159 0.195 -3.454 138 HA ALA 526 HA ALA 526 0.279 -0.276 -5.664 139 HB1 ALA 526 1HB ALA 526 -1.997 -0.151 -6.869 140 HB2 ALA 526 2HB ALA 526 -2.638 0.257 -5.277 141 HB3 ALA 526 3HB ALA 526 -1.808 -1.278 -5.526 142 H ILE 527 H ILE 527 1.669 1.407 -6.151 143 HA ILE 527 HA ILE 527 0.875 3.085 -8.233 144 HB ILE 527 HB ILE 527 -0.205 4.373 -6.547 145 HG12 ILE 527 2HG1 ILE 527 2.361 5.865 -7.053 146 HG13 ILE 527 1HG1 ILE 527 1.243 5.505 -8.365 147 HG21 ILE 527 1HG2 ILE 527 2.356 4.793 -5.087 148 HG22 ILE 527 2HG2 ILE 527 1.338 3.387 -4.757 149 HG23 ILE 527 3HG2 ILE 527 0.696 5.016 -4.527 150 HD11 ILE 527 3HD1 ILE 527 -0.361 6.939 -7.567 151 HD12 ILE 527 1HD1 ILE 527 1.125 7.781 -7.123 152 HD13 ILE 527 2HD1 ILE 527 0.238 6.858 -5.909 153 H GLY 528 H GLY 528 3.127 2.902 -5.492 154 HA2 GLY 528 2HA GLY 528 5.413 2.853 -5.395 155 HA3 GLY 528 1HA GLY 528 5.359 2.219 -7.026 156 H ALA 529 H ALA 529 3.934 4.901 -7.767 157 HA ALA 529 HA ALA 529 4.650 6.741 -8.916 158 HB1 ALA 529 1HB ALA 529 5.197 8.443 -7.502 159 HB2 ALA 529 2HB ALA 529 6.376 7.478 -6.614 160 HB3 ALA 529 3HB ALA 529 4.651 7.250 -6.322 161 H ALA 530 H ALA 530 6.268 4.391 -9.390 162 HA ALA 530 HA ALA 530 8.271 5.297 -10.992 163 HB1 ALA 530 1HB ALA 530 9.043 5.605 -8.237 164 HB2 ALA 530 2HB ALA 530 9.923 6.060 -9.696 165 HB3 ALA 530 3HB ALA 530 10.099 4.436 -9.028 166 H TRP 531 H TRP 531 6.569 3.278 -11.184 167 HA TRP 531 HA TRP 531 6.224 0.979 -11.130 168 HB2 TRP 531 2HB TRP 531 8.121 -0.065 -12.595 169 HB3 TRP 531 1HB TRP 531 6.972 1.069 -13.298 170 HD1 TRP 531 HD TRP 531 10.315 1.621 -11.400 171 HE1 TRP 531 1HE TRP 531 11.769 3.215 -12.810 172 HE3 TRP 531 3HE TRP 531 7.180 2.266 -15.384 173 HZ2 TRP 531 2HZ TRP 531 11.605 4.564 -15.285 174 HZ3 TRP 531 3HZ TRP 531 7.901 3.723 -17.230 175 HH2 TRP 531 HH TRP 531 10.068 4.847 -17.181 176 H ILE 532 H ILE 532 7.191 1.621 -8.758 177 HA ILE 532 HA ILE 532 8.899 -0.665 -8.157 178 HB ILE 532 HB ILE 532 10.193 1.429 -8.268 179 HG12 ILE 532 2HG1 ILE 532 9.961 0.403 -5.429 180 HG13 ILE 532 1HG1 ILE 532 10.784 -0.468 -6.713 181 HG21 ILE 532 1HG2 ILE 532 9.654 3.313 -7.122 182 HG22 ILE 532 2HG2 ILE 532 8.913 2.427 -5.787 183 HG23 ILE 532 3HG2 ILE 532 8.034 2.630 -7.308 184 HD11 ILE 532 3HD1 ILE 532 11.549 2.324 -5.947 185 HD12 ILE 532 1HD1 ILE 532 12.478 1.134 -6.860 186 HD13 ILE 532 2HD1 ILE 532 12.210 0.905 -5.129 187 HA PRO 533 HA PRO 533 5.279 0.450 -5.124 188 HB2 PRO 533 2HB PRO 533 3.186 -0.942 -6.206 189 HB3 PRO 533 1HB PRO 533 3.448 0.784 -6.463 190 HG2 PRO 533 2HG PRO 533 4.112 -1.514 -8.245 191 HG3 PRO 533 1HG PRO 533 3.462 0.080 -8.662 192 HD2 PRO 533 2HD PRO 533 6.058 -0.572 -9.000 193 HD3 PRO 533 1HD PRO 533 5.520 1.075 -8.613 194 H TYR 534 H TYR 534 6.459 -2.191 -6.913 195 HA TYR 534 HA TYR 534 5.490 -4.394 -5.509 196 HB2 TYR 534 2HB TYR 534 8.146 -4.028 -6.921 197 HB3 TYR 534 1HB TYR 534 7.424 -5.574 -6.486 198 HD1 TYR 534 1HD TYR 534 7.102 -2.624 -8.743 199 HD2 TYR 534 2HD TYR 534 5.695 -6.545 -7.797 200 HE1 TYR 534 1HE TYR 534 5.910 -2.719 -10.885 201 HE2 TYR 534 2HE TYR 534 4.504 -6.634 -9.944 202 HH TYR 534 HH TYR 534 4.547 -5.614 -12.118 203 H PHE 535 H PHE 535 8.605 -2.683 -5.161 204 HA PHE 535 HA PHE 535 8.631 -3.493 -2.335 205 HB2 PHE 535 2HB PHE 535 11.209 -3.580 -2.667 206 HB3 PHE 535 1HB PHE 535 10.227 -4.956 -3.154 207 HD1 PHE 535 2HD PHE 535 9.536 -5.090 -5.616 208 HD2 PHE 535 1HD PHE 535 12.648 -2.567 -4.180 209 HE1 PHE 535 2HE PHE 535 10.471 -4.957 -7.888 210 HE2 PHE 535 1HE PHE 535 13.588 -2.427 -6.449 211 HZ PHE 535 HZ PHE 535 12.499 -3.624 -8.307 212 H GLY 536 H GLY 536 8.225 -0.943 -4.151 213 HA2 GLY 536 2HA GLY 536 10.225 0.911 -3.481 214 HA3 GLY 536 1HA GLY 536 8.568 1.315 -3.912 215 HA PRO 537 HA PRO 537 8.267 2.552 0.387 216 HB2 PRO 537 2HB PRO 537 5.818 3.533 0.357 217 HB3 PRO 537 1HB PRO 537 7.047 4.293 -0.672 218 HG2 PRO 537 2HG PRO 537 5.025 2.198 -1.413 219 HG3 PRO 537 1HG PRO 537 5.316 3.760 -2.208 220 HD2 PRO 537 2HD PRO 537 6.400 1.433 -3.078 221 HD3 PRO 537 1HD PRO 537 7.243 2.991 -3.242 222 H ALA 538 H ALA 538 7.682 -0.193 -0.639 223 HA ALA 538 HA ALA 538 5.760 -1.049 1.378 224 HB1 ALA 538 1HB ALA 538 4.907 -2.690 -0.079 225 HB2 ALA 538 2HB ALA 538 6.260 -2.514 -1.200 226 HB3 ALA 538 3HB ALA 538 5.041 -1.244 -1.080 227 H ALA 539 H ALA 539 8.821 -1.249 -0.130 228 HA ALA 539 HA ALA 539 9.755 -3.030 1.926 229 HB1 ALA 539 1HB ALA 539 10.021 -3.840 -0.951 230 HB2 ALA 539 2HB ALA 539 8.959 -4.589 0.241 231 HB3 ALA 539 3HB ALA 539 10.709 -4.683 0.435 232 H GLU 540 H GLU 540 10.278 -0.255 0.499 233 HA GLU 540 HA GLU 540 13.062 -0.463 -0.233 234 HB2 GLU 540 2HB GLU 540 13.030 1.988 -0.263 235 HB3 GLU 540 1HB GLU 540 11.696 1.321 -1.189 236 HG2 GLU 540 2HG GLU 540 10.326 1.643 0.966 237 HG3 GLU 540 1HG GLU 540 11.641 2.711 1.455 238 H GLY 541 H GLY 541 13.131 -1.729 1.943 239 HA2 GLY 541 2HA GLY 541 14.581 -1.642 3.836 240 HA3 GLY 541 1HA GLY 541 14.253 0.086 3.958 241 H ILE 542 H ILE 542 11.349 -0.809 3.306 242 HA ILE 542 HA ILE 542 10.312 -0.618 5.892 243 HB ILE 542 HB ILE 542 9.276 -0.926 3.170 244 HG12 ILE 542 2HG1 ILE 542 7.944 0.347 5.540 245 HG13 ILE 542 1HG1 ILE 542 9.339 1.093 4.770 246 HG21 ILE 542 1HG2 ILE 542 7.810 -2.218 5.456 247 HG22 ILE 542 2HG2 ILE 542 8.190 -2.890 3.868 248 HG23 ILE 542 3HG2 ILE 542 6.982 -1.609 4.022 249 HD11 ILE 542 3HD1 ILE 542 6.598 0.655 3.690 250 HD12 ILE 542 1HD1 ILE 542 7.971 0.829 2.599 251 HD13 ILE 542 2HD1 ILE 542 7.573 2.126 3.727 252 H TYR 543 H TYR 543 10.835 -3.411 3.771 253 HA TYR 543 HA TYR 543 9.518 -5.417 5.016 254 HB2 TYR 543 2HB TYR 543 11.321 -6.952 4.295 255 HB3 TYR 543 1HB TYR 543 10.826 -5.829 3.033 256 HD1 TYR 543 2HD TYR 543 12.244 -3.791 2.631 257 HD2 TYR 543 1HD TYR 543 13.554 -7.060 4.991 258 HE1 TYR 543 2HE TYR 543 14.576 -3.049 2.339 259 HE2 TYR 543 1HE TYR 543 15.893 -6.339 4.717 260 HH TYR 543 HH TYR 543 16.723 -3.282 3.379 261 H ALA 544 H ALA 544 12.303 -3.734 6.252 262 HA ALA 544 HA ALA 544 13.300 -5.466 8.148 263 HB1 ALA 544 1HB ALA 544 14.049 -3.520 9.367 264 HB2 ALA 544 2HB ALA 544 12.888 -2.505 8.510 265 HB3 ALA 544 3HB ALA 544 14.229 -3.244 7.634 266 H GLU 545 H GLU 545 10.218 -3.971 8.048 267 HA GLU 545 HA GLU 545 9.459 -3.814 10.705 268 HB2 GLU 545 2HB GLU 545 7.131 -4.300 9.756 269 HB3 GLU 545 1HB GLU 545 7.985 -2.921 9.077 270 HG2 GLU 545 2HG GLU 545 7.230 -3.883 7.166 271 HG3 GLU 545 1HG GLU 545 8.776 -4.713 7.314 272 H GLY 546 H GLY 546 9.377 -6.507 8.447 273 HA2 GLY 546 2HA GLY 546 9.131 -8.755 8.726 274 HA3 GLY 546 1HA GLY 546 10.092 -8.495 10.166 275 H LEU 547 H LEU 547 6.672 -7.803 9.283 276 HA LEU 547 HA LEU 547 5.694 -9.750 11.106 277 HB2 LEU 547 2HB LEU 547 4.807 -8.432 12.839 278 HB3 LEU 547 1HB LEU 547 6.481 -7.946 12.658 279 HG LEU 547 HG LEU 547 4.254 -6.395 11.369 280 HD11 LEU 547 1HD1 LEU 547 3.509 -6.018 13.459 281 HD12 LEU 547 2HD1 LEU 547 4.878 -4.909 13.524 282 HD13 LEU 547 3HD1 LEU 547 5.022 -6.528 14.206 283 HD21 LEU 547 3HD2 LEU 547 5.854 -4.635 11.293 284 HD22 LEU 547 1HD2 LEU 547 6.636 -6.087 10.670 285 HD23 LEU 547 2HD2 LEU 547 6.980 -5.536 12.309 286 H MET 548 H MET 548 4.965 -6.768 9.358 287 HA MET 548 HA MET 548 3.045 -7.792 7.690 288 HB2 MET 548 2HB MET 548 0.946 -6.816 8.814 289 HB3 MET 548 1HB MET 548 1.549 -8.361 9.395 290 HG2 MET 548 2HG MET 548 2.509 -7.350 11.322 291 HG3 MET 548 1HG MET 548 2.205 -5.732 10.694 292 HE1 MET 548 3HE MET 548 0.447 -5.076 13.262 293 HE2 MET 548 1HE MET 548 -0.799 -4.647 12.090 294 HE3 MET 548 2HE MET 548 0.905 -4.451 11.677 295 H HIS 549 H HIS 549 4.342 -5.112 9.436 296 HA HIS 549 HA HIS 549 3.003 -2.963 8.307 297 HB2 HIS 549 2HB HIS 549 5.458 -3.392 9.778 298 HB3 HIS 549 1HB HIS 549 5.645 -2.109 8.585 299 HD1 HIS 549 1HD HIS 549 2.264 -2.480 9.998 300 HD2 HIS 549 2HD HIS 549 5.705 -0.299 10.811 301 HE1 HIS 549 1HE HIS 549 1.546 -0.657 11.561 302 HE2 HIS 549 2HE HIS 549 3.662 0.595 12.121 303 H ASN 550 H ASN 550 4.991 -5.212 6.692 304 HA ASN 550 HA ASN 550 6.018 -3.447 4.694 305 HB2 ASN 550 2HB ASN 550 6.716 -5.499 3.541 306 HB3 ASN 550 1HB ASN 550 7.169 -5.533 5.242 307 HD21 ASN 550 1HD2 ASN 550 5.378 -7.020 2.749 308 HD22 ASN 550 2HD2 ASN 550 4.714 -8.313 3.683 309 H GLN 551 H GLN 551 2.950 -3.973 5.248 310 HA GLN 551 HA GLN 551 1.712 -5.066 3.054 311 HB2 GLN 551 2HB GLN 551 -0.110 -3.309 3.562 312 HB3 GLN 551 1HB GLN 551 0.308 -4.471 4.814 313 HG2 GLN 551 2HG GLN 551 1.981 -2.167 5.058 314 HG3 GLN 551 1HG GLN 551 0.294 -1.666 4.982 315 HE21 GLN 551 1HE2 GLN 551 1.369 -1.072 7.240 316 HE22 GLN 551 2HE2 GLN 551 0.959 -2.172 8.506 317 H ASP 552 H ASP 552 0.230 -3.519 1.591 318 HA ASP 552 HA ASP 552 2.015 -1.575 0.274 319 HB2 ASP 552 2HB ASP 552 0.369 -3.784 -0.932 320 HB3 ASP 552 1HB ASP 552 0.782 -2.355 -1.874 321 H GLY 553 H GLY 553 -1.377 -2.632 -0.176 322 HA2 GLY 553 2HA GLY 553 -3.164 -1.166 0.676 323 HA3 GLY 553 1HA GLY 553 -2.145 0.194 0.242 324 H LEU 554 H LEU 554 -2.940 -2.727 -1.618 325 HA LEU 554 HA LEU 554 -3.103 -1.771 -4.092 326 HB2 LEU 554 2HB LEU 554 -5.262 -3.318 -4.299 327 HB3 LEU 554 1HB LEU 554 -3.638 -3.959 -4.157 328 HG LEU 554 HG LEU 554 -4.591 -3.633 -1.522 329 HD11 LEU 554 1HD1 LEU 554 -6.804 -3.803 -3.128 330 HD12 LEU 554 2HD1 LEU 554 -6.728 -4.228 -1.417 331 HD13 LEU 554 3HD1 LEU 554 -6.530 -5.477 -2.647 332 HD21 LEU 554 3HD2 LEU 554 -4.663 -6.298 -2.794 333 HD22 LEU 554 1HD2 LEU 554 -3.889 -5.774 -1.299 334 HD23 LEU 554 2HD2 LEU 554 -3.133 -5.424 -2.853 335 H ILE 555 H ILE 555 -6.190 -2.009 -2.332 336 HA ILE 555 HA ILE 555 -8.066 -0.723 -2.369 337 HB ILE 555 HB ILE 555 -6.229 1.557 -3.107 338 HG12 ILE 555 2HG1 ILE 555 -5.256 1.214 -1.104 339 HG13 ILE 555 1HG1 ILE 555 -6.751 1.834 -0.422 340 HG21 ILE 555 1HG2 ILE 555 -8.412 2.278 -1.411 341 HG22 ILE 555 2HG2 ILE 555 -9.023 1.414 -2.821 342 HG23 ILE 555 3HG2 ILE 555 -8.023 2.851 -3.032 343 HD11 ILE 555 3HD1 ILE 555 -7.518 -0.631 -0.492 344 HD12 ILE 555 1HD1 ILE 555 -6.404 -0.105 0.766 345 HD13 ILE 555 2HD1 ILE 555 -5.797 -0.983 -0.635 346 H CYS 556 H CYS 556 -9.586 -0.794 -3.873 347 HA CYS 556 HA CYS 556 -9.000 -0.981 -6.633 348 HB2 CYS 556 2HB CYS 556 -11.662 -0.445 -5.300 349 HB3 CYS 556 1HB CYS 556 -11.428 -0.994 -6.955 350 H GLY 557 H GLY 557 -9.959 1.676 -4.560 351 HA2 GLY 557 2HA GLY 557 -9.385 3.932 -5.136 352 HA3 GLY 557 1HA GLY 557 -9.538 3.494 -6.833 353 H LEU 558 H LEU 558 -12.019 2.010 -6.292 354 HA LEU 558 HA LEU 558 -13.986 3.711 -5.234 355 HB2 LEU 558 2HB LEU 558 -15.017 4.482 -7.306 356 HB3 LEU 558 1HB LEU 558 -13.386 5.102 -7.141 357 HG LEU 558 HG LEU 558 -13.958 2.657 -8.798 358 HD11 LEU 558 1HD1 LEU 558 -13.823 5.448 -9.897 359 HD12 LEU 558 2HD1 LEU 558 -15.349 4.657 -9.504 360 HD13 LEU 558 3HD1 LEU 558 -14.283 3.959 -10.724 361 HD21 LEU 558 3HD2 LEU 558 -11.659 4.403 -8.251 362 HD22 LEU 558 1HD2 LEU 558 -11.897 3.974 -9.945 363 HD23 LEU 558 2HD2 LEU 558 -11.714 2.707 -8.733 364 H ARG 559 H ARG 559 -13.177 1.325 -7.661 365 HA ARG 559 HA ARG 559 -14.252 -0.932 -6.913 366 HB2 ARG 559 2HB ARG 559 -16.600 -1.028 -7.813 367 HB3 ARG 559 1HB ARG 559 -16.422 -0.073 -6.347 368 HG2 ARG 559 2HG ARG 559 -16.066 1.795 -8.315 369 HG3 ARG 559 1HG ARG 559 -17.271 0.717 -9.020 370 HD2 ARG 559 2HD ARG 559 -18.256 0.975 -6.522 371 HD3 ARG 559 1HD ARG 559 -17.473 2.542 -6.712 372 HE ARG 559 HE ARG 559 -19.125 1.817 -8.944 373 HH11 ARG 559 1HH1 ARG 559 -19.097 3.270 -5.771 374 HH12 ARG 559 2HH1 ARG 559 -20.529 4.204 -6.049 375 HH21 ARG 559 1HH2 ARG 559 -21.008 3.045 -9.312 376 HH22 ARG 559 2HH2 ARG 559 -21.613 4.078 -8.060 377 H GLN 560 H GLN 560 -14.020 -2.424 -8.525 378 HA GLN 560 HA GLN 560 -14.298 -1.625 -11.278 379 HB2 GLN 560 2HB GLN 560 -11.948 -0.976 -10.429 380 HB3 GLN 560 1HB GLN 560 -11.618 -2.704 -10.449 381 HG2 GLN 560 2HG GLN 560 -12.238 -2.747 -12.839 382 HG3 GLN 560 1HG GLN 560 -12.420 -0.995 -12.787 383 HE21 GLN 560 1HE2 GLN 560 -10.060 -3.502 -11.926 384 HE22 GLN 560 2HE2 GLN 560 -8.676 -2.630 -12.477 Start of MODEL 7 1 H1 ALA 507 1HT ALA 507 -17.508 5.609 -0.475 2 H2 ALA 507 2HT ALA 507 -17.729 6.834 0.707 3 H3 ALA 507 3HT ALA 507 -17.248 5.256 1.183 4 HA ALA 507 HA ALA 507 -15.656 6.940 -0.614 5 HB1 ALA 507 2HB ALA 507 -15.924 8.188 1.429 6 HB2 ALA 507 3HB ALA 507 -14.298 7.506 1.373 7 HB3 ALA 507 1HB ALA 507 -15.532 6.765 2.393 8 H GLN 508 H GLN 508 -15.550 4.508 1.999 9 HA GLN 508 HA GLN 508 -13.192 3.303 0.816 10 HB2 GLN 508 2HB GLN 508 -14.777 2.542 3.276 11 HB3 GLN 508 1HB GLN 508 -13.259 1.805 2.782 12 HG2 GLN 508 2HG GLN 508 -12.065 3.425 3.712 13 HG3 GLN 508 1HG GLN 508 -13.037 4.681 2.946 14 HE21 GLN 508 1HE2 GLN 508 -15.345 4.763 3.969 15 HE22 GLN 508 2HE2 GLN 508 -15.362 4.840 5.695 16 HA PRO 509 HA PRO 509 -15.605 0.145 -1.165 17 HB2 PRO 509 2HB PRO 509 -13.625 -1.154 -2.376 18 HB3 PRO 509 1HB PRO 509 -13.995 0.520 -2.804 19 HG2 PRO 509 2HG PRO 509 -11.748 -0.568 -1.195 20 HG3 PRO 509 1HG PRO 509 -11.801 0.871 -2.227 21 HD2 PRO 509 2HD PRO 509 -12.103 0.752 0.608 22 HD3 PRO 509 1HD PRO 509 -12.277 2.175 -0.439 23 H LYS 510 H LYS 510 -14.243 -0.267 1.642 24 HA LYS 510 HA LYS 510 -13.822 -1.972 3.116 25 HB2 LYS 510 2HB LYS 510 -16.392 -2.470 1.754 26 HB3 LYS 510 1HB LYS 510 -15.748 -3.821 2.679 27 HG2 LYS 510 2HG LYS 510 -16.172 -1.052 3.781 28 HG3 LYS 510 1HG LYS 510 -17.312 -2.388 3.952 29 HD2 LYS 510 2HD LYS 510 -15.598 -3.690 5.127 30 HD3 LYS 510 1HD LYS 510 -14.467 -2.347 4.960 31 HE2 LYS 510 2HE LYS 510 -17.082 -2.301 6.462 32 HE3 LYS 510 1HE LYS 510 -15.473 -2.372 7.180 33 HZ1 LYS 510 3HZ LYS 510 -16.526 -0.141 5.524 34 HZ2 LYS 510 1HZ LYS 510 -14.987 -0.209 6.224 35 HZ3 LYS 510 2HZ LYS 510 -16.361 -0.125 7.207 36 H CYS 511 H CYS 511 -11.852 -2.383 1.593 37 HA CYS 511 HA CYS 511 -11.462 -5.172 1.471 38 HB2 CYS 511 2HB CYS 511 -11.084 -5.272 -1.053 39 HB3 CYS 511 1HB CYS 511 -12.756 -5.256 -0.504 40 H ASN 512 H ASN 512 -10.109 -2.998 2.595 41 HA ASN 512 HA ASN 512 -7.746 -2.580 0.936 42 HB2 ASN 512 2HB ASN 512 -8.173 -1.486 3.711 43 HB3 ASN 512 1HB ASN 512 -7.116 -0.869 2.446 44 HD21 ASN 512 1HD2 ASN 512 -7.843 1.060 1.912 45 HD22 ASN 512 2HD2 ASN 512 -9.485 1.460 1.549 46 HA PRO 513 HA PRO 513 -5.429 -5.692 3.030 47 HB2 PRO 513 2HB PRO 513 -2.907 -4.881 2.524 48 HB3 PRO 513 1HB PRO 513 -3.964 -5.521 1.260 49 HG2 PRO 513 2HG PRO 513 -3.299 -2.675 1.909 50 HG3 PRO 513 1HG PRO 513 -3.434 -3.460 0.329 51 HD2 PRO 513 2HD PRO 513 -5.406 -1.926 1.433 52 HD3 PRO 513 1HD PRO 513 -5.713 -3.235 0.275 53 H ASN 514 H ASN 514 -2.998 -3.260 3.590 54 HA ASN 514 HA ASN 514 -3.631 -3.243 6.467 55 HB2 ASN 514 2HB ASN 514 -1.155 -3.893 5.008 56 HB3 ASN 514 1HB ASN 514 -0.948 -2.818 6.384 57 HD21 ASN 514 1HD2 ASN 514 -1.304 -6.005 5.367 58 HD22 ASN 514 2HD2 ASN 514 -1.498 -6.746 6.914 59 H LEU 515 H LEU 515 -1.361 -1.666 4.281 60 HA LEU 515 HA LEU 515 -0.585 0.489 4.252 61 HB2 LEU 515 2HB LEU 515 -2.203 1.920 3.229 62 HB3 LEU 515 1HB LEU 515 -2.419 0.282 2.644 63 HG LEU 515 HG LEU 515 -4.170 0.422 4.770 64 HD11 LEU 515 1HD1 LEU 515 -4.491 2.597 5.192 65 HD12 LEU 515 2HD1 LEU 515 -5.427 2.584 3.698 66 HD13 LEU 515 3HD1 LEU 515 -3.741 3.102 3.677 67 HD21 LEU 515 3HD2 LEU 515 -5.835 0.820 2.759 68 HD22 LEU 515 1HD2 LEU 515 -4.957 -0.697 2.948 69 HD23 LEU 515 2HD2 LEU 515 -4.378 0.520 1.810 70 H HIS 516 H HIS 516 -0.664 -0.162 6.859 71 HA HIS 516 HA HIS 516 -2.078 1.990 8.246 72 HB2 HIS 516 2HB HIS 516 -1.489 -0.699 8.895 73 HB3 HIS 516 1HB HIS 516 -0.594 0.307 10.029 74 HD1 HIS 516 1HD HIS 516 -2.936 2.568 9.958 75 HD2 HIS 516 2HD HIS 516 -3.302 -1.462 10.896 76 HE1 HIS 516 1HE HIS 516 -5.009 2.393 11.371 77 HE2 HIS 516 2HE HIS 516 -5.162 -0.042 11.999 78 H TYR 517 H TYR 517 0.971 1.472 6.903 79 HA TYR 517 HA TYR 517 2.386 2.938 8.978 80 HB2 TYR 517 2HB TYR 517 4.373 2.332 7.940 81 HB3 TYR 517 1HB TYR 517 3.333 0.970 7.551 82 HD1 TYR 517 1HD TYR 517 4.226 4.305 6.096 83 HD2 TYR 517 2HD TYR 517 3.454 0.177 5.386 84 HE1 TYR 517 1HE TYR 517 4.695 4.634 3.718 85 HE2 TYR 517 2HE TYR 517 3.923 0.501 3.002 86 HH TYR 517 HH TYR 517 5.437 2.323 1.656 87 H TRP 518 H TRP 518 0.867 3.526 5.926 88 HA TRP 518 HA TRP 518 1.893 6.273 5.926 89 HB2 TRP 518 2HB TRP 518 2.178 4.587 3.891 90 HB3 TRP 518 1HB TRP 518 0.547 5.137 3.530 91 HD1 TRP 518 HD TRP 518 0.452 7.166 2.006 92 HE1 TRP 518 1HE TRP 518 2.024 9.115 1.411 93 HE3 TRP 518 3HE TRP 518 4.303 6.099 5.191 94 HZ2 TRP 518 2HZ TRP 518 4.561 10.074 2.193 95 HZ3 TRP 518 3HZ TRP 518 6.265 7.583 5.208 96 HH2 TRP 518 HH TRP 518 6.390 9.529 3.739 97 H THR 519 H THR 519 0.533 7.852 6.194 98 HA THR 519 HA THR 519 -1.726 8.083 7.391 99 HB THR 519 HB THR 519 -0.849 10.045 6.448 100 HG1 THR 519 1HG THR 519 -3.167 10.023 6.609 101 HG21 THR 519 3HG2 THR 519 -0.179 10.362 4.352 102 HG22 THR 519 1HG2 THR 519 -1.665 9.695 3.675 103 HG23 THR 519 2HG2 THR 519 -0.363 8.615 4.180 104 H THR 520 H THR 520 -1.875 7.363 3.887 105 HA THR 520 HA THR 520 -3.847 5.406 4.072 106 HB THR 520 HB THR 520 -5.133 7.531 4.832 107 HG1 THR 520 1HG THR 520 -6.030 5.748 2.835 108 HG21 THR 520 3HG2 THR 520 -5.197 7.953 1.850 109 HG22 THR 520 1HG2 THR 520 -4.471 9.035 3.040 110 HG23 THR 520 2HG2 THR 520 -6.214 8.771 3.038 111 H GLN 521 H GLN 521 -2.858 8.183 2.097 112 HA GLN 521 HA GLN 521 -3.546 7.436 -0.408 113 HB2 GLN 521 2HB GLN 521 -1.814 9.300 0.667 114 HB3 GLN 521 1HB GLN 521 -0.771 8.327 -0.363 115 HG2 GLN 521 2HG GLN 521 -2.507 8.676 -2.184 116 HG3 GLN 521 1HG GLN 521 -3.190 9.919 -1.137 117 HE21 GLN 521 1HE2 GLN 521 -0.908 9.223 -3.497 118 HE22 GLN 521 2HE2 GLN 521 -0.005 10.695 -3.425 119 H ASP 522 H ASP 522 -2.503 6.388 -2.153 120 HA ASP 522 HA ASP 522 -1.775 3.781 -1.729 121 HB2 ASP 522 2HB ASP 522 -0.745 3.945 -4.073 122 HB3 ASP 522 1HB ASP 522 -2.449 4.359 -3.909 123 H GLU 523 H GLU 523 -0.242 3.597 -0.093 124 HA GLU 523 HA GLU 523 2.413 4.714 -0.551 125 HB2 GLU 523 2HB GLU 523 2.912 3.982 1.694 126 HB3 GLU 523 1HB GLU 523 1.396 4.862 1.683 127 HG2 GLU 523 2HG GLU 523 1.192 1.938 1.396 128 HG3 GLU 523 1HG GLU 523 1.751 2.532 2.958 129 H GLY 524 H GLY 524 2.054 3.115 -2.505 130 HA2 GLY 524 2HA GLY 524 3.746 1.491 -3.267 131 HA3 GLY 524 1HA GLY 524 3.403 0.587 -1.796 132 H ALA 525 H ALA 525 0.571 1.896 -2.866 133 HA ALA 525 HA ALA 525 -0.549 -0.593 -3.597 134 HB1 ALA 525 1HB ALA 525 -1.898 1.092 -2.527 135 HB2 ALA 525 2HB ALA 525 -2.570 0.746 -4.120 136 HB3 ALA 525 3HB ALA 525 -1.624 2.212 -3.862 137 H ALA 526 H ALA 526 1.390 -0.684 -5.298 138 HA ALA 526 HA ALA 526 1.992 -0.912 -7.464 139 HB1 ALA 526 1HB ALA 526 -0.724 -0.481 -8.524 140 HB2 ALA 526 2HB ALA 526 -0.542 -1.786 -7.350 141 HB3 ALA 526 3HB ALA 526 0.422 -1.786 -8.828 142 H ILE 527 H ILE 527 3.116 1.046 -7.391 143 HA ILE 527 HA ILE 527 2.482 2.842 -9.448 144 HB ILE 527 HB ILE 527 0.900 3.735 -7.925 145 HG12 ILE 527 2HG1 ILE 527 3.210 5.628 -7.604 146 HG13 ILE 527 1HG1 ILE 527 2.564 5.286 -9.206 147 HG21 ILE 527 1HG2 ILE 527 2.208 2.708 -5.955 148 HG22 ILE 527 2HG2 ILE 527 1.217 4.146 -5.693 149 HG23 ILE 527 3HG2 ILE 527 2.967 4.300 -5.867 150 HD11 ILE 527 3HD1 ILE 527 1.588 7.070 -7.201 151 HD12 ILE 527 1HD1 ILE 527 0.355 5.868 -7.580 152 HD13 ILE 527 2HD1 ILE 527 1.048 6.855 -8.867 153 H GLY 528 H GLY 528 4.162 2.677 -6.316 154 HA2 GLY 528 2HA GLY 528 6.365 2.926 -5.757 155 HA3 GLY 528 1HA GLY 528 6.728 2.511 -7.419 156 H ALA 529 H ALA 529 5.028 5.018 -8.173 157 HA ALA 529 HA ALA 529 5.644 7.070 -8.983 158 HB1 ALA 529 1HB ALA 529 5.043 7.191 -6.372 159 HB2 ALA 529 2HB ALA 529 5.440 8.609 -7.343 160 HB3 ALA 529 3HB ALA 529 6.676 7.858 -6.333 161 H ALA 530 H ALA 530 7.733 5.086 -9.247 162 HA ALA 530 HA ALA 530 9.843 6.501 -10.229 163 HB1 ALA 530 1HB ALA 530 9.906 6.576 -7.364 164 HB2 ALA 530 2HB ALA 530 11.030 7.298 -8.514 165 HB3 ALA 530 3HB ALA 530 11.284 5.645 -7.949 166 H TRP 531 H TRP 531 8.631 4.304 -11.046 167 HA TRP 531 HA TRP 531 8.689 1.995 -11.302 168 HB2 TRP 531 2HB TRP 531 11.001 1.435 -12.352 169 HB3 TRP 531 1HB TRP 531 9.900 2.525 -13.190 170 HD1 TRP 531 HD TRP 531 12.541 3.206 -10.419 171 HE1 TRP 531 1HE TRP 531 14.050 5.131 -11.224 172 HE3 TRP 531 3HE TRP 531 10.477 3.982 -15.031 173 HZ2 TRP 531 2HZ TRP 531 14.328 6.761 -13.512 174 HZ3 TRP 531 3HZ TRP 531 11.422 5.743 -16.466 175 HH2 TRP 531 HH TRP 531 13.308 7.103 -15.720 176 H ILE 532 H ILE 532 8.957 2.443 -8.710 177 HA ILE 532 HA ILE 532 10.835 0.355 -7.928 178 HB ILE 532 HB ILE 532 11.746 2.618 -7.526 179 HG12 ILE 532 2HG1 ILE 532 11.097 1.053 -5.013 180 HG13 ILE 532 1HG1 ILE 532 12.421 0.706 -6.113 181 HG21 ILE 532 1HG2 ILE 532 9.799 3.045 -5.330 182 HG22 ILE 532 2HG2 ILE 532 9.264 3.348 -6.988 183 HG23 ILE 532 3HG2 ILE 532 10.661 4.216 -6.334 184 HD11 ILE 532 3HD1 ILE 532 12.133 3.306 -4.641 185 HD12 ILE 532 1HD1 ILE 532 13.533 2.715 -5.536 186 HD13 ILE 532 2HD1 ILE 532 13.050 1.927 -4.029 187 HA PRO 533 HA PRO 533 6.471 0.558 -5.805 188 HB2 PRO 533 2HB PRO 533 4.959 -0.968 -7.500 189 HB3 PRO 533 1HB PRO 533 4.980 0.795 -7.535 190 HG2 PRO 533 2HG PRO 533 6.434 -1.145 -9.272 191 HG3 PRO 533 1HG PRO 533 5.633 0.373 -9.711 192 HD2 PRO 533 2HD PRO 533 8.305 0.169 -9.434 193 HD3 PRO 533 1HD PRO 533 7.411 1.653 -9.045 194 H TYR 534 H TYR 534 8.474 -1.633 -7.457 195 HA TYR 534 HA TYR 534 7.594 -4.116 -6.563 196 HB2 TYR 534 2HB TYR 534 10.403 -3.181 -7.202 197 HB3 TYR 534 1HB TYR 534 9.883 -4.860 -7.109 198 HD1 TYR 534 1HD TYR 534 9.598 -1.718 -9.099 199 HD2 TYR 534 2HD TYR 534 8.708 -5.892 -8.902 200 HE1 TYR 534 1HE TYR 534 8.986 -1.706 -11.473 201 HE2 TYR 534 2HE TYR 534 8.096 -5.872 -11.280 202 HH TYR 534 HH TYR 534 7.449 -3.149 -12.993 203 H PHE 535 H PHE 535 10.246 -2.096 -5.277 204 HA PHE 535 HA PHE 535 9.685 -3.212 -2.617 205 HB2 PHE 535 2HB PHE 535 12.208 -3.073 -2.231 206 HB3 PHE 535 1HB PHE 535 11.614 -4.393 -3.231 207 HD1 PHE 535 1HD PHE 535 13.199 -1.052 -3.352 208 HD2 PHE 535 2HD PHE 535 12.350 -4.661 -5.441 209 HE1 PHE 535 1HE PHE 535 14.721 -0.360 -5.158 210 HE2 PHE 535 2HE PHE 535 13.872 -3.977 -7.250 211 HZ PHE 535 HZ PHE 535 15.059 -1.824 -7.109 212 H GLY 536 H GLY 536 9.435 -0.525 -4.277 213 HA2 GLY 536 2HA GLY 536 10.942 1.443 -2.976 214 HA3 GLY 536 1HA GLY 536 9.392 1.710 -3.765 215 HA PRO 537 HA PRO 537 7.939 2.446 0.413 216 HB2 PRO 537 2HB PRO 537 5.465 3.175 -0.147 217 HB3 PRO 537 1HB PRO 537 6.800 4.153 -0.787 218 HG2 PRO 537 2HG PRO 537 5.283 1.945 -2.149 219 HG3 PRO 537 1HG PRO 537 5.553 3.602 -2.733 220 HD2 PRO 537 2HD PRO 537 7.094 1.500 -3.478 221 HD3 PRO 537 1HD PRO 537 7.749 3.146 -3.317 222 H ALA 538 H ALA 538 7.973 -0.226 -0.902 223 HA ALA 538 HA ALA 538 5.739 -1.468 0.499 224 HB1 ALA 538 1HB ALA 538 5.526 -3.079 -1.244 225 HB2 ALA 538 2HB ALA 538 6.993 -2.501 -2.041 226 HB3 ALA 538 3HB ALA 538 5.543 -1.493 -2.017 227 H ALA 539 H ALA 539 9.067 -1.250 -0.278 228 HA ALA 539 HA ALA 539 9.688 -3.160 1.787 229 HB1 ALA 539 1HB ALA 539 10.768 -3.586 -0.978 230 HB2 ALA 539 2HB ALA 539 9.493 -4.541 -0.225 231 HB3 ALA 539 3HB ALA 539 11.122 -4.554 0.450 232 H GLU 540 H GLU 540 10.209 -0.194 0.783 233 HA GLU 540 HA GLU 540 13.083 -0.043 0.743 234 HB2 GLU 540 2HB GLU 540 12.756 2.378 0.980 235 HB3 GLU 540 1HB GLU 540 11.766 1.719 -0.312 236 HG2 GLU 540 2HG GLU 540 10.023 2.726 0.608 237 HG3 GLU 540 1HG GLU 540 10.162 1.604 1.960 238 H GLY 541 H GLY 541 12.844 -1.569 2.724 239 HA2 GLY 541 2HA GLY 541 13.829 -1.576 4.901 240 HA3 GLY 541 1HA GLY 541 13.232 0.067 5.133 241 H ILE 542 H ILE 542 10.726 -1.085 3.695 242 HA ILE 542 HA ILE 542 9.143 -1.441 5.998 243 HB ILE 542 HB ILE 542 8.735 -1.332 3.084 244 HG12 ILE 542 2HG1 ILE 542 6.865 -0.536 5.298 245 HG13 ILE 542 1HG1 ILE 542 8.287 0.424 4.899 246 HG21 ILE 542 1HG2 ILE 542 7.737 -3.461 3.305 247 HG22 ILE 542 2HG2 ILE 542 6.415 -2.286 3.298 248 HG23 ILE 542 3HG2 ILE 542 6.941 -3.014 4.815 249 HD11 ILE 542 3HD1 ILE 542 6.497 1.397 3.736 250 HD12 ILE 542 1HD1 ILE 542 5.913 -0.169 3.172 251 HD13 ILE 542 2HD1 ILE 542 7.419 0.489 2.536 252 H TYR 543 H TYR 543 10.225 -3.685 3.453 253 HA TYR 543 HA TYR 543 8.985 -5.992 4.178 254 HB2 TYR 543 2HB TYR 543 10.743 -7.212 3.111 255 HB3 TYR 543 1HB TYR 543 10.564 -5.688 2.247 256 HD1 TYR 543 2HD TYR 543 12.078 -3.749 3.478 257 HD2 TYR 543 1HD TYR 543 12.916 -7.906 3.333 258 HE1 TYR 543 2HE TYR 543 14.472 -3.265 3.800 259 HE2 TYR 543 1HE TYR 543 15.313 -7.447 3.658 260 HH TYR 543 HH TYR 543 16.480 -4.348 4.561 261 H ALA 544 H ALA 544 11.728 -4.486 5.747 262 HA ALA 544 HA ALA 544 12.676 -6.468 7.394 263 HB1 ALA 544 1HB ALA 544 12.177 -3.648 8.312 264 HB2 ALA 544 2HB ALA 544 13.486 -4.089 7.215 265 HB3 ALA 544 3HB ALA 544 13.443 -4.752 8.850 266 H GLU 545 H GLU 545 9.807 -4.487 7.743 267 HA GLU 545 HA GLU 545 9.023 -5.324 10.325 268 HB2 GLU 545 2HB GLU 545 7.027 -4.636 8.180 269 HB3 GLU 545 1HB GLU 545 6.989 -4.237 9.894 270 HG2 GLU 545 2HG GLU 545 9.262 -3.003 8.731 271 HG3 GLU 545 1HG GLU 545 7.860 -2.675 7.717 272 H GLY 546 H GLY 546 7.789 -6.180 7.149 273 HA2 GLY 546 2HA GLY 546 6.718 -8.025 6.359 274 HA3 GLY 546 1HA GLY 546 7.913 -8.905 7.293 275 H LEU 547 H LEU 547 5.696 -6.864 8.996 276 HA LEU 547 HA LEU 547 4.271 -9.265 9.929 277 HB2 LEU 547 2HB LEU 547 3.757 -7.616 11.919 278 HB3 LEU 547 1HB LEU 547 5.241 -8.548 11.857 279 HG LEU 547 HG LEU 547 6.400 -6.562 10.908 280 HD11 LEU 547 1HD1 LEU 547 3.844 -5.117 11.580 281 HD12 LEU 547 2HD1 LEU 547 4.397 -5.494 9.949 282 HD13 LEU 547 3HD1 LEU 547 5.334 -4.401 10.966 283 HD21 LEU 547 3HD2 LEU 547 6.901 -6.615 13.107 284 HD22 LEU 547 1HD2 LEU 547 5.211 -6.722 13.601 285 HD23 LEU 547 2HD2 LEU 547 5.901 -5.164 13.147 286 H MET 548 H MET 548 3.932 -6.451 8.167 287 HA MET 548 HA MET 548 1.344 -6.727 7.407 288 HB2 MET 548 2HB MET 548 0.260 -4.837 8.802 289 HB3 MET 548 1HB MET 548 0.385 -6.436 9.522 290 HG2 MET 548 2HG MET 548 2.077 -5.794 10.968 291 HG3 MET 548 1HG MET 548 2.504 -4.385 10.000 292 HE1 MET 548 3HE MET 548 1.713 -1.897 10.921 293 HE2 MET 548 1HE MET 548 -0.042 -1.745 10.838 294 HE3 MET 548 2HE MET 548 0.840 -2.516 9.519 295 H HIS 549 H HIS 549 3.883 -4.528 8.341 296 HA HIS 549 HA HIS 549 3.072 -2.330 6.754 297 HB2 HIS 549 2HB HIS 549 5.517 -3.114 8.240 298 HB3 HIS 549 1HB HIS 549 5.719 -1.925 6.953 299 HD1 HIS 549 1HD HIS 549 2.468 -1.803 8.609 300 HD2 HIS 549 2HD HIS 549 6.196 -0.044 9.111 301 HE1 HIS 549 1HE HIS 549 2.080 0.159 10.109 302 HE2 HIS 549 2HE HIS 549 4.370 1.136 10.514 303 H ASN 550 H ASN 550 4.580 -5.337 6.028 304 HA ASN 550 HA ASN 550 5.984 -4.610 3.692 305 HB2 ASN 550 2HB ASN 550 5.956 -7.040 3.190 306 HB3 ASN 550 1HB ASN 550 6.487 -6.683 4.831 307 HD21 ASN 550 1HD2 ASN 550 5.653 -9.180 4.217 308 HD22 ASN 550 2HD2 ASN 550 4.130 -9.506 4.965 309 H GLN 551 H GLN 551 2.709 -4.618 4.286 310 HA GLN 551 HA GLN 551 1.426 -5.708 2.136 311 HB2 GLN 551 2HB GLN 551 -0.254 -3.869 2.455 312 HB3 GLN 551 1HB GLN 551 0.186 -4.732 3.924 313 HG2 GLN 551 2HG GLN 551 0.323 -2.614 4.713 314 HG3 GLN 551 1HG GLN 551 1.966 -2.779 4.093 315 HE21 GLN 551 1HE2 GLN 551 2.089 -0.515 3.890 316 HE22 GLN 551 2HE2 GLN 551 1.320 0.310 2.581 317 H ASP 552 H ASP 552 0.160 -4.113 0.532 318 HA ASP 552 HA ASP 552 2.160 -2.487 -0.892 319 HB2 ASP 552 2HB ASP 552 1.602 -4.831 -1.877 320 HB3 ASP 552 1HB ASP 552 0.081 -4.086 -2.359 321 H GLY 553 H GLY 553 -1.323 -3.203 -0.580 322 HA2 GLY 553 2HA GLY 553 -2.760 -1.313 0.060 323 HA3 GLY 553 1HA GLY 553 -1.811 -0.323 -1.036 324 H LEU 554 H LEU 554 -3.194 -3.560 -1.533 325 HA LEU 554 HA LEU 554 -3.931 -3.378 -4.103 326 HB2 LEU 554 2HB LEU 554 -6.073 -4.751 -3.298 327 HB3 LEU 554 1HB LEU 554 -4.467 -5.441 -3.393 328 HG LEU 554 HG LEU 554 -4.761 -4.286 -0.808 329 HD11 LEU 554 1HD1 LEU 554 -6.766 -4.872 -0.012 330 HD12 LEU 554 2HD1 LEU 554 -6.786 -6.387 -0.915 331 HD13 LEU 554 3HD1 LEU 554 -7.262 -4.885 -1.706 332 HD21 LEU 554 3HD2 LEU 554 -3.289 -6.037 -0.939 333 HD22 LEU 554 1HD2 LEU 554 -4.344 -6.986 -1.987 334 HD23 LEU 554 2HD2 LEU 554 -4.703 -6.849 -0.266 335 H ILE 555 H ILE 555 -6.604 -3.008 -1.798 336 HA ILE 555 HA ILE 555 -8.435 -1.657 -1.799 337 HB ILE 555 HB ILE 555 -6.804 0.285 -3.423 338 HG12 ILE 555 2HG1 ILE 555 -5.390 -0.084 -1.608 339 HG13 ILE 555 1HG1 ILE 555 -6.363 1.280 -1.070 340 HG21 ILE 555 1HG2 ILE 555 -8.820 1.294 -3.379 341 HG22 ILE 555 2HG2 ILE 555 -8.294 1.783 -1.769 342 HG23 ILE 555 3HG2 ILE 555 -9.360 0.391 -1.964 343 HD11 ILE 555 3HD1 ILE 555 -6.628 -1.594 -0.281 344 HD12 ILE 555 1HD1 ILE 555 -7.832 -0.369 0.100 345 HD13 ILE 555 2HD1 ILE 555 -6.194 -0.224 0.740 346 H CYS 556 H CYS 556 -10.213 -2.025 -2.942 347 HA CYS 556 HA CYS 556 -10.205 -2.966 -5.580 348 HB2 CYS 556 2HB CYS 556 -12.509 -1.720 -4.064 349 HB3 CYS 556 1HB CYS 556 -12.641 -2.749 -5.486 350 H GLY 557 H GLY 557 -10.512 0.256 -4.259 351 HA2 GLY 557 2HA GLY 557 -9.792 2.138 -5.588 352 HA3 GLY 557 1HA GLY 557 -10.426 1.314 -7.006 353 H LEU 558 H LEU 558 -12.898 0.538 -5.767 354 HA LEU 558 HA LEU 558 -14.372 2.611 -4.654 355 HB2 LEU 558 2HB LEU 558 -15.374 3.733 -6.456 356 HB3 LEU 558 1HB LEU 558 -13.668 3.678 -6.860 357 HG LEU 558 HG LEU 558 -15.287 1.440 -7.874 358 HD11 LEU 558 1HD1 LEU 558 -15.968 4.228 -8.450 359 HD12 LEU 558 2HD1 LEU 558 -16.909 2.753 -8.674 360 HD13 LEU 558 3HD1 LEU 558 -15.705 3.223 -9.876 361 HD21 LEU 558 3HD2 LEU 558 -12.974 3.093 -8.748 362 HD22 LEU 558 1HD2 LEU 558 -13.899 2.193 -9.951 363 HD23 LEU 558 2HD2 LEU 558 -13.129 1.341 -8.611 364 H ARG 559 H ARG 559 -14.113 -0.432 -5.225 365 HA ARG 559 HA ARG 559 -15.532 -2.214 -5.132 366 HB2 ARG 559 2HB ARG 559 -17.849 -0.284 -5.088 367 HB3 ARG 559 1HB ARG 559 -17.793 -1.925 -4.461 368 HG2 ARG 559 2HG ARG 559 -17.435 -1.003 -2.478 369 HG3 ARG 559 1HG ARG 559 -15.805 -0.659 -3.055 370 HD2 ARG 559 2HD ARG 559 -16.917 1.328 -2.097 371 HD3 ARG 559 1HD ARG 559 -16.481 1.541 -3.791 372 HE ARG 559 HE ARG 559 -18.703 1.721 -4.310 373 HH11 ARG 559 1HH1 ARG 559 -18.396 0.388 -1.098 374 HH12 ARG 559 2HH1 ARG 559 -20.090 0.496 -0.756 375 HH21 ARG 559 1HH2 ARG 559 -20.931 1.865 -3.860 376 HH22 ARG 559 2HH2 ARG 559 -21.530 1.335 -2.324 377 H GLN 560 H GLN 560 -17.038 -3.385 -6.484 378 HA GLN 560 HA GLN 560 -18.245 -2.361 -8.790 379 HB2 GLN 560 2HB GLN 560 -16.647 -3.367 -10.486 380 HB3 GLN 560 1HB GLN 560 -16.116 -1.882 -9.709 381 HG2 GLN 560 2HG GLN 560 -14.376 -2.875 -8.702 382 HG3 GLN 560 1HG GLN 560 -15.276 -4.354 -8.370 383 HE21 GLN 560 1HE2 GLN 560 -13.805 -2.541 -11.031 384 HE22 GLN 560 2HE2 GLN 560 -13.283 -3.928 -11.920 Start of MODEL 8 1 H1 ALA 507 1HT ALA 507 -16.689 3.773 4.597 2 H2 ALA 507 2HT ALA 507 -17.902 4.850 4.035 3 H3 ALA 507 3HT ALA 507 -16.354 4.837 3.295 4 HA ALA 507 HA ALA 507 -18.037 2.448 3.364 5 HB1 ALA 507 2HB ALA 507 -18.555 3.293 0.919 6 HB2 ALA 507 3HB ALA 507 -18.330 4.873 1.669 7 HB3 ALA 507 1HB ALA 507 -19.558 3.769 2.289 8 H GLN 508 H GLN 508 -16.480 0.962 3.107 9 HA GLN 508 HA GLN 508 -14.216 1.492 1.359 10 HB2 GLN 508 2HB GLN 508 -14.898 -0.647 3.343 11 HB3 GLN 508 1HB GLN 508 -13.648 -0.940 2.143 12 HG2 GLN 508 2HG GLN 508 -12.352 -0.123 3.805 13 HG3 GLN 508 1HG GLN 508 -12.776 1.400 3.025 14 HE21 GLN 508 1HE2 GLN 508 -13.566 -0.757 5.682 15 HE22 GLN 508 2HE2 GLN 508 -14.263 0.450 6.702 16 HA PRO 509 HA PRO 509 -15.894 -1.004 -1.900 17 HB2 PRO 509 2HB PRO 509 -13.669 -1.250 -3.410 18 HB3 PRO 509 1HB PRO 509 -14.501 0.291 -3.196 19 HG2 PRO 509 2HG PRO 509 -11.911 -0.576 -2.144 20 HG3 PRO 509 1HG PRO 509 -12.579 1.057 -2.267 21 HD2 PRO 509 2HD PRO 509 -12.498 -0.719 0.035 22 HD3 PRO 509 1HD PRO 509 -12.960 0.993 -0.036 23 H LYS 510 H LYS 510 -14.556 -2.421 0.509 24 HA LYS 510 HA LYS 510 -13.904 -4.518 1.125 25 HB2 LYS 510 2HB LYS 510 -15.958 -4.850 -0.991 26 HB3 LYS 510 1HB LYS 510 -15.077 -6.291 -0.501 27 HG2 LYS 510 2HG LYS 510 -15.899 -4.867 1.831 28 HG3 LYS 510 1HG LYS 510 -17.285 -5.079 0.761 29 HD2 LYS 510 2HD LYS 510 -15.543 -7.436 1.142 30 HD3 LYS 510 1HD LYS 510 -16.494 -6.930 2.539 31 HE2 LYS 510 2HE LYS 510 -18.283 -6.809 0.427 32 HE3 LYS 510 1HE LYS 510 -17.333 -8.256 0.097 33 HZ1 LYS 510 3HZ LYS 510 -17.846 -9.062 2.311 34 HZ2 LYS 510 1HZ LYS 510 -19.272 -8.746 1.457 35 HZ3 LYS 510 2HZ LYS 510 -18.739 -7.666 2.645 36 H CYS 511 H CYS 511 -11.799 -3.504 -0.058 37 HA CYS 511 HA CYS 511 -10.460 -5.742 -1.155 38 HB2 CYS 511 2HB CYS 511 -9.869 -4.569 -3.359 39 HB3 CYS 511 1HB CYS 511 -11.460 -5.312 -3.239 40 H ASN 512 H ASN 512 -9.890 -4.264 1.017 41 HA ASN 512 HA ASN 512 -7.582 -2.624 0.203 42 HB2 ASN 512 2HB ASN 512 -8.750 -2.426 2.949 43 HB3 ASN 512 1HB ASN 512 -7.905 -1.204 2.005 44 HD21 ASN 512 1HD2 ASN 512 -10.931 -2.932 2.380 45 HD22 ASN 512 2HD2 ASN 512 -11.924 -1.743 1.615 46 HA PRO 513 HA PRO 513 -5.216 -5.762 2.247 47 HB2 PRO 513 2HB PRO 513 -2.768 -4.687 2.011 48 HB3 PRO 513 1HB PRO 513 -3.658 -5.299 0.614 49 HG2 PRO 513 2HG PRO 513 -3.249 -2.485 1.511 50 HG3 PRO 513 1HG PRO 513 -3.304 -3.146 -0.127 51 HD2 PRO 513 2HD PRO 513 -5.399 -1.854 1.167 52 HD3 PRO 513 1HD PRO 513 -5.561 -2.900 -0.256 53 H ASN 514 H ASN 514 -3.068 -3.199 3.196 54 HA ASN 514 HA ASN 514 -4.065 -3.293 5.961 55 HB2 ASN 514 2HB ASN 514 -1.427 -4.054 4.881 56 HB3 ASN 514 1HB ASN 514 -1.397 -3.045 6.320 57 HD21 ASN 514 1HD2 ASN 514 -3.173 -5.861 5.084 58 HD22 ASN 514 2HD2 ASN 514 -3.106 -6.764 6.555 59 H LEU 515 H LEU 515 -1.395 -1.828 4.197 60 HA LEU 515 HA LEU 515 -0.475 0.259 4.342 61 HB2 LEU 515 2HB LEU 515 -1.820 1.848 3.185 62 HB3 LEU 515 1HB LEU 515 -2.099 0.256 2.509 63 HG LEU 515 HG LEU 515 -4.093 0.464 4.385 64 HD11 LEU 515 1HD1 LEU 515 -4.305 2.627 4.909 65 HD12 LEU 515 2HD1 LEU 515 -4.990 2.802 3.294 66 HD13 LEU 515 3HD1 LEU 515 -3.283 3.147 3.568 67 HD21 LEU 515 3HD2 LEU 515 -4.094 1.057 1.437 68 HD22 LEU 515 1HD2 LEU 515 -5.557 0.843 2.398 69 HD23 LEU 515 2HD2 LEU 515 -4.413 -0.488 2.227 70 H HIS 516 H HIS 516 -0.943 -0.485 6.880 71 HA HIS 516 HA HIS 516 -2.327 1.739 8.185 72 HB2 HIS 516 2HB HIS 516 -1.514 -1.006 9.036 73 HB3 HIS 516 1HB HIS 516 -1.712 0.240 10.265 74 HD1 HIS 516 1HD HIS 516 -4.201 1.671 9.317 75 HD2 HIS 516 2HD HIS 516 -3.789 -2.464 9.227 76 HE1 HIS 516 1HE HIS 516 -6.544 0.762 9.307 77 HE2 HIS 516 2HE HIS 516 -6.270 -1.742 9.339 78 H TYR 517 H TYR 517 0.806 0.971 7.215 79 HA TYR 517 HA TYR 517 2.131 2.072 9.532 80 HB2 TYR 517 2HB TYR 517 4.153 1.500 8.527 81 HB3 TYR 517 1HB TYR 517 3.059 0.271 7.910 82 HD1 TYR 517 1HD TYR 517 4.226 3.699 6.946 83 HD2 TYR 517 2HD TYR 517 3.279 -0.249 5.670 84 HE1 TYR 517 1HE TYR 517 4.856 4.298 4.658 85 HE2 TYR 517 2HE TYR 517 3.905 0.341 3.374 86 HH TYR 517 HH TYR 517 4.168 2.277 1.970 87 H TRP 518 H TRP 518 0.905 3.241 6.513 88 HA TRP 518 HA TRP 518 2.142 5.854 6.997 89 HB2 TRP 518 2HB TRP 518 2.372 4.457 4.739 90 HB3 TRP 518 1HB TRP 518 0.836 5.247 4.402 91 HD1 TRP 518 HD TRP 518 1.086 7.446 3.170 92 HE1 TRP 518 1HE TRP 518 2.886 9.276 2.971 93 HE3 TRP 518 3HE TRP 518 4.539 5.535 6.413 94 HZ2 TRP 518 2HZ TRP 518 5.433 9.834 4.051 95 HZ3 TRP 518 3HZ TRP 518 6.631 6.776 6.776 96 HH2 TRP 518 HH TRP 518 7.068 8.882 5.619 97 H THR 519 H THR 519 0.919 7.453 7.549 98 HA THR 519 HA THR 519 -1.362 7.722 8.657 99 HB THR 519 HB THR 519 -0.269 9.720 8.105 100 HG1 THR 519 1HG THR 519 -2.275 10.417 8.201 101 HG21 THR 519 3HG2 THR 519 0.569 10.300 6.133 102 HG22 THR 519 1HG2 THR 519 -0.936 9.943 5.286 103 HG23 THR 519 2HG2 THR 519 0.208 8.646 5.636 104 H THR 520 H THR 520 -1.426 7.661 5.075 105 HA THR 520 HA THR 520 -3.584 5.904 4.872 106 HB THR 520 HB THR 520 -4.684 7.990 5.952 107 HG1 THR 520 1HG THR 520 -6.564 7.603 4.704 108 HG21 THR 520 3HG2 THR 520 -4.582 8.922 3.091 109 HG22 THR 520 1HG2 THR 520 -3.791 9.697 4.464 110 HG23 THR 520 2HG2 THR 520 -5.551 9.632 4.383 111 H GLN 521 H GLN 521 -2.255 8.858 3.406 112 HA GLN 521 HA GLN 521 -2.921 8.565 0.795 113 HB2 GLN 521 2HB GLN 521 -0.788 9.666 0.208 114 HB3 GLN 521 1HB GLN 521 -1.624 10.456 1.538 115 HG2 GLN 521 2HG GLN 521 -0.122 9.129 3.083 116 HG3 GLN 521 1HG GLN 521 0.815 8.714 1.648 117 HE21 GLN 521 1HE2 GLN 521 2.201 10.174 0.809 118 HE22 GLN 521 2HE2 GLN 521 2.473 11.749 1.465 119 H ASP 522 H ASP 522 -1.950 7.670 -1.056 120 HA ASP 522 HA ASP 522 -1.424 4.996 -0.995 121 HB2 ASP 522 2HB ASP 522 -0.329 5.361 -3.268 122 HB3 ASP 522 1HB ASP 522 -1.976 5.957 -3.082 123 H GLU 523 H GLU 523 0.024 4.344 0.545 124 HA GLU 523 HA GLU 523 2.790 5.282 0.347 125 HB2 GLU 523 2HB GLU 523 3.135 4.142 2.465 126 HB3 GLU 523 1HB GLU 523 1.768 5.237 2.566 127 HG2 GLU 523 2HG GLU 523 1.256 2.384 1.914 128 HG3 GLU 523 1HG GLU 523 1.660 2.814 3.575 129 H GLY 524 H GLY 524 2.314 4.013 -1.819 130 HA2 GLY 524 2HA GLY 524 3.745 2.359 -2.875 131 HA3 GLY 524 1HA GLY 524 3.492 1.332 -1.466 132 H ALA 525 H ALA 525 0.733 3.025 -2.392 133 HA ALA 525 HA ALA 525 -0.739 0.699 -2.998 134 HB1 ALA 525 1HB ALA 525 -1.981 2.412 -2.044 135 HB2 ALA 525 2HB ALA 525 -2.481 2.457 -3.735 136 HB3 ALA 525 3HB ALA 525 -1.314 3.635 -3.127 137 H ALA 526 H ALA 526 1.140 0.280 -4.751 138 HA ALA 526 HA ALA 526 1.648 -0.098 -6.921 139 HB1 ALA 526 1HB ALA 526 -0.050 -0.895 -8.187 140 HB2 ALA 526 2HB ALA 526 -1.089 0.493 -7.865 141 HB3 ALA 526 3HB ALA 526 -0.917 -0.780 -6.657 142 H ILE 527 H ILE 527 2.937 1.732 -7.064 143 HA ILE 527 HA ILE 527 2.337 3.460 -9.188 144 HB ILE 527 HB ILE 527 0.947 4.586 -7.625 145 HG12 ILE 527 2HG1 ILE 527 3.443 6.260 -7.602 146 HG13 ILE 527 1HG1 ILE 527 2.627 5.895 -9.120 147 HG21 ILE 527 1HG2 ILE 527 2.286 3.564 -5.678 148 HG22 ILE 527 2HG2 ILE 527 1.467 5.113 -5.453 149 HG23 ILE 527 3HG2 ILE 527 3.206 5.069 -5.753 150 HD11 ILE 527 3HD1 ILE 527 1.024 7.389 -8.732 151 HD12 ILE 527 1HD1 ILE 527 2.100 8.021 -7.487 152 HD13 ILE 527 2HD1 ILE 527 0.827 6.879 -7.056 153 H GLY 528 H GLY 528 4.189 3.261 -6.162 154 HA2 GLY 528 2HA GLY 528 6.435 3.335 -5.743 155 HA3 GLY 528 1HA GLY 528 6.655 2.806 -7.398 156 H ALA 529 H ALA 529 5.162 5.438 -8.184 157 HA ALA 529 HA ALA 529 5.907 7.388 -9.114 158 HB1 ALA 529 1HB ALA 529 6.051 9.006 -7.538 159 HB2 ALA 529 2HB ALA 529 7.257 8.133 -6.592 160 HB3 ALA 529 3HB ALA 529 5.555 7.684 -6.480 161 H ALA 530 H ALA 530 7.736 5.164 -9.452 162 HA ALA 530 HA ALA 530 9.882 6.289 -10.694 163 HB1 ALA 530 1HB ALA 530 10.224 6.499 -7.858 164 HB2 ALA 530 2HB ALA 530 11.311 7.024 -9.144 165 HB3 ALA 530 3HB ALA 530 11.431 5.386 -8.500 166 H TRP 531 H TRP 531 8.354 4.198 -11.249 167 HA TRP 531 HA TRP 531 8.152 1.885 -11.382 168 HB2 TRP 531 2HB TRP 531 10.301 1.047 -12.615 169 HB3 TRP 531 1HB TRP 531 9.192 2.161 -13.410 170 HD1 TRP 531 HD TRP 531 12.191 2.763 -11.019 171 HE1 TRP 531 1HE TRP 531 13.725 4.527 -12.100 172 HE3 TRP 531 3HE TRP 531 9.618 3.511 -15.368 173 HZ2 TRP 531 2HZ TRP 531 13.826 6.036 -14.486 174 HZ3 TRP 531 3HZ TRP 531 10.498 5.131 -16.997 175 HH2 TRP 531 HH TRP 531 12.558 6.366 -16.564 176 H ILE 532 H ILE 532 8.726 2.409 -8.860 177 HA ILE 532 HA ILE 532 10.479 0.188 -8.158 178 HB ILE 532 HB ILE 532 11.636 2.352 -7.947 179 HG12 ILE 532 2HG1 ILE 532 11.067 1.145 -5.230 180 HG13 ILE 532 1HG1 ILE 532 12.095 0.375 -6.428 181 HG21 ILE 532 1HG2 ILE 532 10.815 4.119 -6.785 182 HG22 ILE 532 2HG2 ILE 532 9.954 3.104 -5.626 183 HG23 ILE 532 3HG2 ILE 532 9.286 3.361 -7.244 184 HD11 ILE 532 3HD1 ILE 532 12.628 3.155 -5.459 185 HD12 ILE 532 1HD1 ILE 532 13.727 2.026 -6.251 186 HD13 ILE 532 2HD1 ILE 532 13.210 1.734 -4.587 187 HA PRO 533 HA PRO 533 6.402 0.877 -5.619 188 HB2 PRO 533 2HB PRO 533 4.567 -0.527 -7.080 189 HB3 PRO 533 1HB PRO 533 4.765 1.223 -7.188 190 HG2 PRO 533 2HG PRO 533 5.811 -0.912 -8.991 191 HG3 PRO 533 1HG PRO 533 5.128 0.670 -9.404 192 HD2 PRO 533 2HD PRO 533 7.782 0.186 -9.400 193 HD3 PRO 533 1HD PRO 533 7.092 1.769 -8.991 194 H TYR 534 H TYR 534 7.994 -1.560 -7.374 195 HA TYR 534 HA TYR 534 6.955 -3.906 -6.284 196 HB2 TYR 534 2HB TYR 534 9.763 -3.310 -7.253 197 HB3 TYR 534 1HB TYR 534 9.078 -4.916 -7.031 198 HD1 TYR 534 2HD TYR 534 8.904 -1.827 -9.114 199 HD2 TYR 534 1HD TYR 534 7.633 -5.878 -8.653 200 HE1 TYR 534 2HE TYR 534 8.049 -1.826 -11.412 201 HE2 TYR 534 1HE TYR 534 6.778 -5.870 -10.956 202 HH TYR 534 HH TYR 534 7.083 -4.684 -13.031 203 H PHE 535 H PHE 535 9.873 -2.071 -5.359 204 HA PHE 535 HA PHE 535 9.533 -3.080 -2.620 205 HB2 PHE 535 2HB PHE 535 12.120 -3.036 -2.542 206 HB3 PHE 535 1HB PHE 535 11.318 -4.398 -3.316 207 HD1 PHE 535 2HD PHE 535 11.160 -4.446 -5.822 208 HD2 PHE 535 1HD PHE 535 13.613 -1.669 -3.729 209 HE1 PHE 535 2HE PHE 535 12.445 -4.037 -7.879 210 HE2 PHE 535 1HE PHE 535 14.902 -1.253 -5.782 211 HZ PHE 535 HZ PHE 535 14.319 -2.439 -7.861 212 H GLY 536 H GLY 536 9.226 -0.436 -4.307 213 HA2 GLY 536 2HA GLY 536 10.992 1.470 -3.234 214 HA3 GLY 536 1HA GLY 536 9.397 1.815 -3.891 215 HA PRO 537 HA PRO 537 8.383 2.755 0.372 216 HB2 PRO 537 2HB PRO 537 5.895 3.578 0.028 217 HB3 PRO 537 1HB PRO 537 7.206 4.482 -0.753 218 HG2 PRO 537 2HG PRO 537 5.470 2.323 -1.919 219 HG3 PRO 537 1HG PRO 537 5.769 3.952 -2.566 220 HD2 PRO 537 2HD PRO 537 7.131 1.761 -3.397 221 HD3 PRO 537 1HD PRO 537 7.879 3.374 -3.331 222 H ALA 538 H ALA 538 8.137 0.050 -0.890 223 HA ALA 538 HA ALA 538 6.011 -1.044 0.775 224 HB1 ALA 538 1HB ALA 538 6.969 -2.307 -1.780 225 HB2 ALA 538 2HB ALA 538 5.671 -1.112 -1.769 226 HB3 ALA 538 3HB ALA 538 5.482 -2.626 -0.883 227 H ALA 539 H ALA 539 9.264 -0.963 -0.263 228 HA ALA 539 HA ALA 539 9.999 -2.835 1.791 229 HB1 ALA 539 1HB ALA 539 10.731 -3.412 -1.061 230 HB2 ALA 539 2HB ALA 539 9.578 -4.315 -0.080 231 HB3 ALA 539 3HB ALA 539 11.287 -4.307 0.352 232 H GLU 540 H GLU 540 10.557 0.057 0.549 233 HA GLU 540 HA GLU 540 13.421 0.064 0.281 234 HB2 GLU 540 2HB GLU 540 13.229 2.498 0.338 235 HB3 GLU 540 1HB GLU 540 12.066 1.808 -0.782 236 HG2 GLU 540 2HG GLU 540 10.486 2.971 0.238 237 HG3 GLU 540 1HG GLU 540 10.733 1.964 1.663 238 H GLY 541 H GLY 541 13.290 -1.312 2.376 239 HA2 GLY 541 2HA GLY 541 14.440 -1.218 4.467 240 HA3 GLY 541 1HA GLY 541 13.935 0.465 4.624 241 H ILE 542 H ILE 542 11.259 -0.587 3.503 242 HA ILE 542 HA ILE 542 9.861 -0.718 5.931 243 HB ILE 542 HB ILE 542 9.229 -0.803 3.063 244 HG12 ILE 542 2HG1 ILE 542 7.544 0.212 5.335 245 HG13 ILE 542 1HG1 ILE 542 8.975 1.080 4.793 246 HG21 ILE 542 1HG2 ILE 542 8.170 -2.861 3.456 247 HG22 ILE 542 2HG2 ILE 542 6.884 -1.650 3.541 248 HG23 ILE 542 3HG2 ILE 542 7.546 -2.341 5.023 249 HD11 ILE 542 3HD1 ILE 542 7.511 2.119 3.461 250 HD12 ILE 542 1HD1 ILE 542 6.345 0.800 3.535 251 HD13 ILE 542 2HD1 ILE 542 7.726 0.694 2.446 252 H TYR 543 H TYR 543 10.734 -3.203 3.546 253 HA TYR 543 HA TYR 543 9.439 -5.399 4.448 254 HB2 TYR 543 2HB TYR 543 11.207 -6.767 3.537 255 HB3 TYR 543 1HB TYR 543 10.961 -5.365 2.501 256 HD1 TYR 543 1HD TYR 543 12.497 -3.299 3.126 257 HD2 TYR 543 2HD TYR 543 13.366 -7.347 4.060 258 HE1 TYR 543 1HE TYR 543 14.890 -2.736 3.292 259 HE2 TYR 543 2HE TYR 543 15.762 -6.805 4.234 260 HH TYR 543 HH TYR 543 17.272 -4.769 3.101 261 H ALA 544 H ALA 544 12.052 -3.772 6.064 262 HA ALA 544 HA ALA 544 12.973 -5.731 7.803 263 HB1 ALA 544 1HB ALA 544 13.966 -3.502 7.597 264 HB2 ALA 544 2HB ALA 544 13.620 -3.910 9.278 265 HB3 ALA 544 3HB ALA 544 12.558 -2.809 8.401 266 H GLU 545 H GLU 545 9.895 -4.303 7.619 267 HA GLU 545 HA GLU 545 8.934 -4.302 10.207 268 HB2 GLU 545 2HB GLU 545 6.709 -4.873 9.040 269 HB3 GLU 545 1HB GLU 545 7.528 -3.399 8.540 270 HG2 GLU 545 2HG GLU 545 7.057 -4.224 6.494 271 HG3 GLU 545 1HG GLU 545 8.582 -5.065 6.751 272 H GLY 546 H GLY 546 9.098 -6.881 7.830 273 HA2 GLY 546 2HA GLY 546 8.882 -9.144 7.985 274 HA3 GLY 546 1HA GLY 546 9.725 -8.940 9.507 275 H LEU 547 H LEU 547 6.501 -7.618 8.971 276 HA LEU 547 HA LEU 547 5.314 -9.865 10.389 277 HB2 LEU 547 2HB LEU 547 4.511 -8.711 12.221 278 HB3 LEU 547 1HB LEU 547 6.140 -8.094 12.038 279 HG LEU 547 HG LEU 547 3.757 -6.630 10.926 280 HD11 LEU 547 1HD1 LEU 547 3.275 -5.661 12.902 281 HD12 LEU 547 2HD1 LEU 547 4.945 -5.723 13.464 282 HD13 LEU 547 3HD1 LEU 547 3.930 -7.163 13.551 283 HD21 LEU 547 3HD2 LEU 547 6.220 -5.313 11.897 284 HD22 LEU 547 1HD2 LEU 547 5.190 -4.924 10.518 285 HD23 LEU 547 2HD2 LEU 547 6.341 -6.255 10.411 286 H MET 548 H MET 548 4.734 -6.724 8.838 287 HA MET 548 HA MET 548 2.765 -7.691 7.115 288 HB2 MET 548 2HB MET 548 1.808 -7.118 9.776 289 HB3 MET 548 1HB MET 548 1.029 -6.065 8.604 290 HG2 MET 548 2HG MET 548 0.193 -7.906 7.374 291 HG3 MET 548 1HG MET 548 1.188 -9.043 8.278 292 HE1 MET 548 3HE MET 548 -0.384 -9.113 11.752 293 HE2 MET 548 1HE MET 548 0.376 -7.548 11.466 294 HE3 MET 548 2HE MET 548 1.131 -9.020 10.856 295 H HIS 549 H HIS 549 4.203 -5.003 8.799 296 HA HIS 549 HA HIS 549 3.094 -2.829 7.520 297 HB2 HIS 549 2HB HIS 549 5.475 -3.370 9.056 298 HB3 HIS 549 1HB HIS 549 5.810 -2.198 7.785 299 HD1 HIS 549 1HD HIS 549 2.401 -2.217 9.228 300 HD2 HIS 549 2HD HIS 549 5.980 -0.183 9.786 301 HE1 HIS 549 1HE HIS 549 1.823 -0.220 10.626 302 HE2 HIS 549 2HE HIS 549 4.022 0.931 11.061 303 H ASN 550 H ASN 550 4.883 -5.304 6.017 304 HA ASN 550 HA ASN 550 6.094 -3.750 3.955 305 HB2 ASN 550 2HB ASN 550 6.410 -5.974 2.840 306 HB3 ASN 550 1HB ASN 550 7.058 -5.882 4.474 307 HD21 ASN 550 1HD2 ASN 550 6.451 -8.268 3.138 308 HD22 ASN 550 2HD2 ASN 550 5.165 -9.052 3.985 309 H GLN 551 H GLN 551 2.963 -4.009 4.543 310 HA GLN 551 HA GLN 551 1.634 -4.959 2.334 311 HB2 GLN 551 2HB GLN 551 -0.090 -3.199 2.914 312 HB3 GLN 551 1HB GLN 551 0.396 -4.257 4.232 313 HG2 GLN 551 2HG GLN 551 2.110 -1.978 4.187 314 HG3 GLN 551 1HG GLN 551 0.434 -1.442 4.148 315 HE21 GLN 551 1HE2 GLN 551 1.431 -0.616 6.283 316 HE22 GLN 551 2HE2 GLN 551 1.141 -1.612 7.665 317 H ASP 552 H ASP 552 0.238 -3.191 0.990 318 HA ASP 552 HA ASP 552 2.141 -1.358 -0.306 319 HB2 ASP 552 2HB ASP 552 1.021 -3.705 -1.437 320 HB3 ASP 552 1HB ASP 552 0.235 -2.335 -2.216 321 H GLY 553 H GLY 553 -1.325 -2.237 -0.479 322 HA2 GLY 553 2HA GLY 553 -2.951 -0.655 0.464 323 HA3 GLY 553 1HA GLY 553 -1.929 0.637 -0.143 324 H LEU 554 H LEU 554 -3.013 -2.330 -1.769 325 HA LEU 554 HA LEU 554 -3.434 -1.341 -4.241 326 HB2 LEU 554 2HB LEU 554 -5.488 -3.043 -4.244 327 HB3 LEU 554 1HB LEU 554 -3.815 -3.557 -4.320 328 HG LEU 554 HG LEU 554 -4.547 -3.345 -1.573 329 HD11 LEU 554 1HD1 LEU 554 -6.554 -4.286 -1.327 330 HD12 LEU 554 2HD1 LEU 554 -6.267 -5.450 -2.622 331 HD13 LEU 554 3HD1 LEU 554 -6.826 -3.821 -3.006 332 HD21 LEU 554 3HD2 LEU 554 -2.804 -4.781 -2.621 333 HD22 LEU 554 1HD2 LEU 554 -4.096 -5.808 -3.242 334 HD23 LEU 554 2HD2 LEU 554 -3.866 -5.635 -1.501 335 H ILE 555 H ILE 555 -6.387 -1.973 -2.393 336 HA ILE 555 HA ILE 555 -8.342 -0.822 -2.203 337 HB ILE 555 HB ILE 555 -6.820 1.692 -2.836 338 HG12 ILE 555 2HG1 ILE 555 -5.463 0.825 -1.153 339 HG13 ILE 555 1HG1 ILE 555 -6.617 1.806 -0.256 340 HG21 ILE 555 1HG2 ILE 555 -8.484 2.607 -1.155 341 HG22 ILE 555 2HG2 ILE 555 -9.326 1.065 -1.310 342 HG23 ILE 555 3HG2 ILE 555 -9.131 2.109 -2.719 343 HD11 ILE 555 3HD1 ILE 555 -6.500 -1.169 -0.515 344 HD12 ILE 555 1HD1 ILE 555 -7.943 -0.332 0.051 345 HD13 ILE 555 2HD1 ILE 555 -6.431 -0.183 0.946 346 H CYS 556 H CYS 556 -9.918 -0.880 -3.656 347 HA CYS 556 HA CYS 556 -9.436 -0.728 -6.441 348 HB2 CYS 556 2HB CYS 556 -12.068 -0.598 -4.956 349 HB3 CYS 556 1HB CYS 556 -11.871 -0.928 -6.675 350 H GLY 557 H GLY 557 -10.521 1.584 -4.053 351 HA2 GLY 557 2HA GLY 557 -10.070 3.933 -4.462 352 HA3 GLY 557 1HA GLY 557 -10.473 3.657 -6.151 353 H LEU 558 H LEU 558 -12.805 2.070 -5.589 354 HA LEU 558 HA LEU 558 -14.682 3.352 -3.953 355 HB2 LEU 558 2HB LEU 558 -15.825 4.815 -5.389 356 HB3 LEU 558 1HB LEU 558 -14.129 5.189 -5.635 357 HG LEU 558 HG LEU 558 -15.207 3.151 -7.450 358 HD11 LEU 558 1HD1 LEU 558 -16.892 5.253 -7.011 359 HD12 LEU 558 2HD1 LEU 558 -16.812 4.290 -8.487 360 HD13 LEU 558 3HD1 LEU 558 -15.932 5.817 -8.380 361 HD21 LEU 558 3HD2 LEU 558 -13.992 4.689 -9.077 362 HD22 LEU 558 1HD2 LEU 558 -13.027 3.845 -7.864 363 HD23 LEU 558 2HD2 LEU 558 -13.427 5.551 -7.645 364 H ARG 559 H ARG 559 -13.814 0.774 -5.441 365 HA ARG 559 HA ARG 559 -14.737 -1.080 -6.361 366 HB2 ARG 559 2HB ARG 559 -16.795 -1.845 -5.424 367 HB3 ARG 559 1HB ARG 559 -15.901 -1.017 -4.157 368 HG2 ARG 559 2HG ARG 559 -17.837 0.620 -5.663 369 HG3 ARG 559 1HG ARG 559 -18.512 -0.651 -4.650 370 HD2 ARG 559 2HD ARG 559 -17.176 0.234 -2.748 371 HD3 ARG 559 1HD ARG 559 -16.673 1.572 -3.776 372 HE ARG 559 HE ARG 559 -18.750 2.521 -3.529 373 HH11 ARG 559 1HH1 ARG 559 -18.819 -0.752 -2.312 374 HH12 ARG 559 2HH1 ARG 559 -20.377 -0.577 -1.575 375 HH21 ARG 559 1HH2 ARG 559 -20.799 2.750 -2.561 376 HH22 ARG 559 2HH2 ARG 559 -21.500 1.410 -1.717 377 H GLN 560 H GLN 560 -16.705 -1.940 -7.631 378 HA GLN 560 HA GLN 560 -18.388 -0.233 -9.033 379 HB2 GLN 560 2HB GLN 560 -16.344 0.673 -10.020 380 HB3 GLN 560 1HB GLN 560 -15.855 -0.938 -10.524 381 HG2 GLN 560 2HG GLN 560 -17.790 -1.066 -12.002 382 HG3 GLN 560 1HG GLN 560 -18.280 0.551 -11.496 383 HE21 GLN 560 1HE2 GLN 560 -17.542 2.223 -12.613 384 HE22 GLN 560 2HE2 GLN 560 -16.262 2.175 -13.772 Start of MODEL 9 1 H1 ALA 507 1HT ALA 507 -19.522 3.668 -1.858 2 H2 ALA 507 2HT ALA 507 -21.116 3.369 -1.296 3 H3 ALA 507 3HT ALA 507 -20.373 2.280 -2.395 4 HA ALA 507 HA ALA 507 -19.201 2.853 0.221 5 HB1 ALA 507 2HB ALA 507 -21.490 1.034 -0.432 6 HB2 ALA 507 3HB ALA 507 -21.316 2.167 0.907 7 HB3 ALA 507 1HB ALA 507 -20.384 0.669 0.892 8 H GLN 508 H GLN 508 -17.372 1.730 0.499 9 HA GLN 508 HA GLN 508 -16.305 0.215 -1.681 10 HB2 GLN 508 2HB GLN 508 -14.332 -0.058 -0.235 11 HB3 GLN 508 1HB GLN 508 -14.851 1.619 -0.324 12 HG2 GLN 508 2HG GLN 508 -15.659 1.617 1.851 13 HG3 GLN 508 1HG GLN 508 -15.754 -0.142 1.917 14 HE21 GLN 508 1HE2 GLN 508 -14.371 1.977 3.572 15 HE22 GLN 508 2HE2 GLN 508 -12.743 1.414 3.704 16 HA PRO 509 HA PRO 509 -17.306 -3.813 -0.115 17 HB2 PRO 509 2HB PRO 509 -15.601 -5.295 -1.577 18 HB3 PRO 509 1HB PRO 509 -16.925 -4.392 -2.318 19 HG2 PRO 509 2HG PRO 509 -14.035 -3.874 -2.408 20 HG3 PRO 509 1HG PRO 509 -15.314 -3.289 -3.482 21 HD2 PRO 509 2HD PRO 509 -14.052 -1.929 -1.254 22 HD3 PRO 509 1HD PRO 509 -15.223 -1.288 -2.423 23 H LYS 510 H LYS 510 -15.003 -2.258 1.257 24 HA LYS 510 HA LYS 510 -13.392 -2.614 2.832 25 HB2 LYS 510 2HB LYS 510 -15.459 -4.697 3.256 26 HB3 LYS 510 1HB LYS 510 -13.950 -4.881 4.138 27 HG2 LYS 510 2HG LYS 510 -14.576 -2.235 4.536 28 HG3 LYS 510 1HG LYS 510 -16.152 -3.029 4.562 29 HD2 LYS 510 2HD LYS 510 -15.209 -4.661 6.209 30 HD3 LYS 510 1HD LYS 510 -13.752 -3.668 6.272 31 HE2 LYS 510 2HE LYS 510 -16.545 -2.775 6.979 32 HE3 LYS 510 1HE LYS 510 -15.256 -3.147 8.122 33 HZ1 LYS 510 3HZ LYS 510 -15.794 -0.713 6.881 34 HZ2 LYS 510 1HZ LYS 510 -14.316 -1.259 6.263 35 HZ3 LYS 510 2HZ LYS 510 -14.522 -1.082 7.932 36 H CYS 511 H CYS 511 -11.925 -3.019 0.905 37 HA CYS 511 HA CYS 511 -10.724 -5.683 1.215 38 HB2 CYS 511 2HB CYS 511 -10.189 -5.632 -1.237 39 HB3 CYS 511 1HB CYS 511 -11.902 -5.797 -0.857 40 H ASN 512 H ASN 512 -10.270 -2.433 1.550 41 HA ASN 512 HA ASN 512 -7.678 -2.065 0.475 42 HB2 ASN 512 2HB ASN 512 -8.745 -0.605 2.886 43 HB3 ASN 512 1HB ASN 512 -7.627 -0.016 1.660 44 HD21 ASN 512 1HD2 ASN 512 -10.050 1.220 2.547 45 HD22 ASN 512 2HD2 ASN 512 -11.094 1.335 1.175 46 HA PRO 513 HA PRO 513 -5.358 -4.120 3.636 47 HB2 PRO 513 2HB PRO 513 -2.897 -3.418 2.956 48 HB3 PRO 513 1HB PRO 513 -3.908 -4.308 1.811 49 HG2 PRO 513 2HG PRO 513 -3.276 -1.387 1.909 50 HG3 PRO 513 1HG PRO 513 -3.364 -2.467 0.507 51 HD2 PRO 513 2HD PRO 513 -5.396 -0.776 1.387 52 HD3 PRO 513 1HD PRO 513 -5.610 -2.146 0.285 53 H ASN 514 H ASN 514 -2.928 -3.169 4.653 54 HA ASN 514 HA ASN 514 -3.638 -1.863 6.982 55 HB2 ASN 514 2HB ASN 514 -1.140 -2.519 5.566 56 HB3 ASN 514 1HB ASN 514 -1.016 -1.216 6.739 57 HD21 ASN 514 1HD2 ASN 514 -1.897 -1.691 8.915 58 HD22 ASN 514 2HD2 ASN 514 -1.678 -3.285 9.545 59 H LEU 515 H LEU 515 -1.506 -0.468 4.558 60 HA LEU 515 HA LEU 515 -0.927 1.687 4.125 61 HB2 LEU 515 2HB LEU 515 -2.669 2.868 2.992 62 HB3 LEU 515 1HB LEU 515 -2.803 1.152 2.647 63 HG LEU 515 HG LEU 515 -4.485 1.432 4.784 64 HD11 LEU 515 1HD1 LEU 515 -5.304 3.483 4.985 65 HD12 LEU 515 2HD1 LEU 515 -5.647 3.562 3.257 66 HD13 LEU 515 3HD1 LEU 515 -4.063 4.044 3.864 67 HD21 LEU 515 3HD2 LEU 515 -4.778 1.218 1.854 68 HD22 LEU 515 1HD2 LEU 515 -6.225 1.624 2.777 69 HD23 LEU 515 2HD2 LEU 515 -5.335 0.143 3.135 70 H HIS 516 H HIS 516 -0.968 1.344 6.838 71 HA HIS 516 HA HIS 516 -1.906 3.976 7.741 72 HB2 HIS 516 2HB HIS 516 -2.868 1.467 8.641 73 HB3 HIS 516 1HB HIS 516 -1.906 2.151 9.947 74 HD1 HIS 516 1HD HIS 516 -3.867 4.366 7.649 75 HD2 HIS 516 2HD HIS 516 -4.150 2.781 11.479 76 HE1 HIS 516 1HE HIS 516 -5.762 5.601 8.748 77 HE2 HIS 516 2HE HIS 516 -5.856 4.686 11.094 78 H TYR 517 H TYR 517 0.711 1.907 7.353 79 HA TYR 517 HA TYR 517 2.169 2.604 9.710 80 HB2 TYR 517 2HB TYR 517 4.009 1.422 8.770 81 HB3 TYR 517 1HB TYR 517 2.567 0.533 8.306 82 HD1 TYR 517 1HD TYR 517 4.575 3.377 6.895 83 HD2 TYR 517 2HD TYR 517 2.643 -0.347 6.173 84 HE1 TYR 517 1HE TYR 517 5.259 3.485 4.550 85 HE2 TYR 517 2HE TYR 517 3.326 -0.245 3.820 86 HH TYR 517 HH TYR 517 3.971 1.454 2.164 87 H TRP 518 H TRP 518 1.629 4.103 6.660 88 HA TRP 518 HA TRP 518 3.792 6.008 7.118 89 HB2 TRP 518 2HB TRP 518 3.322 4.685 4.863 90 HB3 TRP 518 1HB TRP 518 2.199 6.016 4.608 91 HD1 TRP 518 HD TRP 518 3.210 7.989 3.381 92 HE1 TRP 518 1HE TRP 518 5.571 8.958 3.041 93 HE3 TRP 518 3HE TRP 518 5.840 4.758 6.334 94 HZ2 TRP 518 2HZ TRP 518 8.202 8.420 3.913 95 HZ3 TRP 518 3HZ TRP 518 8.275 5.051 6.531 96 HH2 TRP 518 HH TRP 518 9.431 6.846 5.343 97 H THR 519 H THR 519 3.402 8.011 7.556 98 HA THR 519 HA THR 519 1.550 9.217 8.852 99 HB THR 519 HB THR 519 3.303 10.570 8.078 100 HG1 THR 519 1HG THR 519 2.146 12.307 7.909 101 HG21 THR 519 3HG2 THR 519 3.037 9.330 5.654 102 HG22 THR 519 1HG2 THR 519 4.091 10.700 6.005 103 HG23 THR 519 2HG2 THR 519 2.492 10.974 5.315 104 H THR 520 H THR 520 1.108 9.037 5.303 105 HA THR 520 HA THR 520 -1.593 8.343 5.407 106 HB THR 520 HB THR 520 -1.602 10.756 6.373 107 HG1 THR 520 1HG THR 520 -3.529 9.857 5.897 108 HG21 THR 520 3HG2 THR 520 -1.466 11.397 3.434 109 HG22 THR 520 1HG2 THR 520 -0.268 11.844 4.650 110 HG23 THR 520 2HG2 THR 520 -1.895 12.519 4.728 111 H GLN 521 H GLN 521 0.660 10.410 3.582 112 HA GLN 521 HA GLN 521 -0.368 10.220 1.066 113 HB2 GLN 521 2HB GLN 521 1.950 10.411 0.212 114 HB3 GLN 521 1HB GLN 521 1.580 11.561 1.490 115 HG2 GLN 521 2HG GLN 521 2.702 10.028 3.097 116 HG3 GLN 521 1HG GLN 521 3.186 9.031 1.726 117 HE21 GLN 521 1HE2 GLN 521 3.609 12.086 3.343 118 HE22 GLN 521 2HE2 GLN 521 5.073 12.535 2.543 119 H ASP 522 H ASP 522 -0.019 8.899 -0.738 120 HA ASP 522 HA ASP 522 -0.414 6.201 -0.376 121 HB2 ASP 522 2HB ASP 522 0.597 7.779 -2.726 122 HB3 ASP 522 1HB ASP 522 0.408 6.031 -2.820 123 H GLU 523 H GLU 523 0.979 5.143 0.951 124 HA GLU 523 HA GLU 523 3.840 5.249 0.435 125 HB2 GLU 523 2HB GLU 523 4.016 3.828 2.444 126 HB3 GLU 523 1HB GLU 523 3.149 5.325 2.742 127 HG2 GLU 523 2HG GLU 523 1.562 2.922 2.045 128 HG3 GLU 523 1HG GLU 523 2.290 2.995 3.648 129 H GLY 524 H GLY 524 3.117 4.289 -1.742 130 HA2 GLY 524 2HA GLY 524 3.997 2.338 -2.888 131 HA3 GLY 524 1HA GLY 524 3.391 1.360 -1.556 132 H ALA 525 H ALA 525 1.263 3.827 -2.303 133 HA ALA 525 HA ALA 525 -0.735 2.042 -3.208 134 HB1 ALA 525 1HB ALA 525 -0.720 4.533 -2.073 135 HB2 ALA 525 2HB ALA 525 -2.139 3.714 -2.724 136 HB3 ALA 525 3HB ALA 525 -1.253 4.870 -3.719 137 H ALA 526 H ALA 526 1.039 1.444 -5.018 138 HA ALA 526 HA ALA 526 1.548 1.315 -7.218 139 HB1 ALA 526 1HB ALA 526 -0.727 0.617 -7.436 140 HB2 ALA 526 2HB ALA 526 -0.354 1.690 -8.784 141 HB3 ALA 526 3HB ALA 526 -1.294 2.287 -7.416 142 H ILE 527 H ILE 527 3.157 2.863 -7.189 143 HA ILE 527 HA ILE 527 2.935 4.914 -9.056 144 HB ILE 527 HB ILE 527 1.653 6.051 -7.396 145 HG12 ILE 527 2HG1 ILE 527 4.385 7.307 -7.225 146 HG13 ILE 527 1HG1 ILE 527 3.483 7.276 -8.737 147 HG21 ILE 527 1HG2 ILE 527 2.729 4.665 -5.546 148 HG22 ILE 527 2HG2 ILE 527 2.229 6.318 -5.174 149 HG23 ILE 527 3HG2 ILE 527 3.930 5.957 -5.476 150 HD11 ILE 527 3HD1 ILE 527 2.122 8.327 -6.321 151 HD12 ILE 527 1HD1 ILE 527 1.956 8.797 -8.013 152 HD13 ILE 527 2HD1 ILE 527 3.363 9.320 -7.086 153 H GLY 528 H GLY 528 4.574 4.077 -6.016 154 HA2 GLY 528 2HA GLY 528 6.788 3.770 -5.511 155 HA3 GLY 528 1HA GLY 528 7.002 3.373 -7.203 156 H ALA 529 H ALA 529 5.982 6.272 -7.769 157 HA ALA 529 HA ALA 529 7.052 8.164 -8.462 158 HB1 ALA 529 1HB ALA 529 6.631 8.279 -5.844 159 HB2 ALA 529 2HB ALA 529 7.444 9.575 -6.724 160 HB3 ALA 529 3HB ALA 529 8.392 8.388 -5.828 161 H ALA 530 H ALA 530 8.522 5.752 -9.051 162 HA ALA 530 HA ALA 530 10.844 6.622 -10.133 163 HB1 ALA 530 1HB ALA 530 12.286 5.392 -8.088 164 HB2 ALA 530 2HB ALA 530 11.145 6.445 -7.253 165 HB3 ALA 530 3HB ALA 530 12.244 7.117 -8.457 166 H TRP 531 H TRP 531 9.078 4.817 -10.897 167 HA TRP 531 HA TRP 531 8.557 2.570 -11.205 168 HB2 TRP 531 2HB TRP 531 10.604 1.517 -12.430 169 HB3 TRP 531 1HB TRP 531 9.719 2.849 -13.170 170 HD1 TRP 531 HD TRP 531 12.652 2.807 -10.624 171 HE1 TRP 531 1HE TRP 531 14.489 4.379 -11.509 172 HE3 TRP 531 3HE TRP 531 10.449 4.237 -15.007 173 HZ2 TRP 531 2HZ TRP 531 14.943 6.009 -13.769 174 HZ3 TRP 531 3HZ TRP 531 11.649 5.805 -16.475 175 HH2 TRP 531 HH TRP 531 13.850 6.672 -15.867 176 H ILE 532 H ILE 532 9.105 2.851 -8.637 177 HA ILE 532 HA ILE 532 10.484 0.354 -8.034 178 HB ILE 532 HB ILE 532 11.926 2.318 -7.643 179 HG12 ILE 532 2HG1 ILE 532 11.081 0.948 -5.077 180 HG13 ILE 532 1HG1 ILE 532 12.128 0.225 -6.288 181 HG21 ILE 532 1HG2 ILE 532 10.284 3.136 -5.317 182 HG22 ILE 532 2HG2 ILE 532 9.713 3.593 -6.928 183 HG23 ILE 532 3HG2 ILE 532 11.317 4.098 -6.378 184 HD11 ILE 532 3HD1 ILE 532 13.845 1.778 -5.860 185 HD12 ILE 532 1HD1 ILE 532 13.266 1.228 -4.285 186 HD13 ILE 532 2HD1 ILE 532 12.776 2.807 -4.905 187 HA PRO 533 HA PRO 533 6.426 1.491 -5.616 188 HB2 PRO 533 2HB PRO 533 4.513 0.373 -7.233 189 HB3 PRO 533 1HB PRO 533 4.906 2.093 -7.221 190 HG2 PRO 533 2HG PRO 533 5.783 -0.033 -9.117 191 HG3 PRO 533 1HG PRO 533 5.327 1.646 -9.446 192 HD2 PRO 533 2HD PRO 533 7.892 0.821 -9.366 193 HD3 PRO 533 1HD PRO 533 7.390 2.454 -8.881 194 H TYR 534 H TYR 534 7.773 -1.048 -7.430 195 HA TYR 534 HA TYR 534 6.433 -3.303 -6.530 196 HB2 TYR 534 2HB TYR 534 9.350 -2.962 -7.270 197 HB3 TYR 534 1HB TYR 534 8.501 -4.501 -7.170 198 HD1 TYR 534 1HD TYR 534 8.761 -1.321 -9.114 199 HD2 TYR 534 2HD TYR 534 7.096 -5.253 -8.927 200 HE1 TYR 534 1HE TYR 534 8.067 -1.146 -11.459 201 HE2 TYR 534 2HE TYR 534 6.405 -5.070 -11.276 202 HH TYR 534 HH TYR 534 6.938 -3.836 -13.264 203 H PHE 535 H PHE 535 9.516 -1.961 -5.324 204 HA PHE 535 HA PHE 535 8.812 -2.964 -2.653 205 HB2 PHE 535 2HB PHE 535 11.356 -3.364 -2.397 206 HB3 PHE 535 1HB PHE 535 10.397 -4.551 -3.275 207 HD1 PHE 535 1HD PHE 535 12.232 -1.381 -4.014 208 HD2 PHE 535 2HD PHE 535 11.327 -5.367 -5.198 209 HE1 PHE 535 1HE PHE 535 13.719 -1.138 -5.960 210 HE2 PHE 535 2HE PHE 535 12.813 -5.131 -7.144 211 HZ PHE 535 HZ PHE 535 14.013 -3.015 -7.526 212 H GLY 536 H GLY 536 9.123 -0.272 -4.288 213 HA2 GLY 536 2HA GLY 536 11.086 1.272 -3.000 214 HA3 GLY 536 1HA GLY 536 9.647 1.904 -3.790 215 HA PRO 537 HA PRO 537 8.355 2.947 0.369 216 HB2 PRO 537 2HB PRO 537 6.072 4.137 -0.199 217 HB3 PRO 537 1HB PRO 537 7.568 4.819 -0.870 218 HG2 PRO 537 2HG PRO 537 5.628 2.924 -2.168 219 HG3 PRO 537 1HG PRO 537 6.221 4.477 -2.798 220 HD2 PRO 537 2HD PRO 537 7.300 2.083 -3.482 221 HD3 PRO 537 1HD PRO 537 8.269 3.572 -3.389 222 H ALA 538 H ALA 538 7.917 0.290 -0.803 223 HA ALA 538 HA ALA 538 5.506 -0.482 0.632 224 HB1 ALA 538 1HB ALA 538 4.962 -2.090 -1.091 225 HB2 ALA 538 2HB ALA 538 6.413 -1.659 -1.999 226 HB3 ALA 538 3HB ALA 538 5.100 -0.492 -1.826 227 H ALA 539 H ALA 539 8.763 -0.966 -0.352 228 HA ALA 539 HA ALA 539 9.108 -2.975 1.712 229 HB1 ALA 539 1HB ALA 539 10.515 -3.829 -0.666 230 HB2 ALA 539 2HB ALA 539 8.767 -3.803 -0.889 231 HB3 ALA 539 3HB ALA 539 9.472 -4.739 0.427 232 H GLU 540 H GLU 540 10.101 -0.131 0.766 233 HA GLU 540 HA GLU 540 12.955 -0.500 0.571 234 HB2 GLU 540 2HB GLU 540 13.084 1.938 0.879 235 HB3 GLU 540 1HB GLU 540 11.963 1.497 -0.396 236 HG2 GLU 540 2HG GLU 540 10.142 1.703 1.387 237 HG3 GLU 540 1HG GLU 540 11.364 2.531 2.349 238 H GLY 541 H GLY 541 12.500 -2.004 2.540 239 HA2 GLY 541 2HA GLY 541 13.601 -2.226 4.661 240 HA3 GLY 541 1HA GLY 541 13.279 -0.517 4.955 241 H ILE 542 H ILE 542 10.546 -1.103 3.679 242 HA ILE 542 HA ILE 542 9.046 -1.266 6.019 243 HB ILE 542 HB ILE 542 8.525 -1.165 3.117 244 HG12 ILE 542 2HG1 ILE 542 6.692 -0.032 5.144 245 HG13 ILE 542 1HG1 ILE 542 8.347 0.554 5.180 246 HG21 ILE 542 1HG2 ILE 542 7.224 -3.105 3.413 247 HG22 ILE 542 2HG2 ILE 542 6.087 -1.754 3.477 248 HG23 ILE 542 3HG2 ILE 542 6.594 -2.548 4.967 249 HD11 ILE 542 3HD1 ILE 542 6.630 0.554 2.717 250 HD12 ILE 542 1HD1 ILE 542 8.200 1.325 2.935 251 HD13 ILE 542 2HD1 ILE 542 6.794 1.926 3.813 252 H TYR 543 H TYR 543 9.858 -3.732 3.598 253 HA TYR 543 HA TYR 543 8.297 -5.830 4.326 254 HB2 TYR 543 2HB TYR 543 10.076 -7.332 3.562 255 HB3 TYR 543 1HB TYR 543 9.887 -5.952 2.482 256 HD1 TYR 543 2HD TYR 543 11.468 -3.958 2.905 257 HD2 TYR 543 1HD TYR 543 12.176 -7.876 4.366 258 HE1 TYR 543 2HE TYR 543 13.864 -3.426 3.130 259 HE2 TYR 543 1HE TYR 543 14.574 -7.369 4.604 260 HH TYR 543 HH TYR 543 16.105 -5.013 3.143 261 H ALA 544 H ALA 544 10.924 -4.479 6.152 262 HA ALA 544 HA ALA 544 11.554 -6.556 7.889 263 HB1 ALA 544 1HB ALA 544 12.769 -4.430 7.777 264 HB2 ALA 544 2HB ALA 544 12.301 -4.835 9.430 265 HB3 ALA 544 3HB ALA 544 11.395 -3.619 8.528 266 H GLU 545 H GLU 545 8.635 -4.878 7.546 267 HA GLU 545 HA GLU 545 7.528 -4.772 10.072 268 HB2 GLU 545 2HB GLU 545 5.338 -5.179 8.774 269 HB3 GLU 545 1HB GLU 545 6.298 -3.778 8.322 270 HG2 GLU 545 2HG GLU 545 5.888 -4.582 6.253 271 HG3 GLU 545 1HG GLU 545 7.327 -5.531 6.606 272 H GLY 546 H GLY 546 7.647 -7.389 7.735 273 HA2 GLY 546 2HA GLY 546 7.254 -9.626 7.893 274 HA3 GLY 546 1HA GLY 546 7.997 -9.464 9.471 275 H LEU 547 H LEU 547 4.912 -7.949 8.655 276 HA LEU 547 HA LEU 547 3.480 -10.080 10.023 277 HB2 LEU 547 2HB LEU 547 2.587 -8.819 11.747 278 HB3 LEU 547 1HB LEU 547 4.266 -8.323 11.700 279 HG LEU 547 HG LEU 547 2.119 -6.726 10.325 280 HD11 LEU 547 1HD1 LEU 547 3.109 -5.933 13.006 281 HD12 LEU 547 2HD1 LEU 547 1.875 -7.191 12.918 282 HD13 LEU 547 3HD1 LEU 547 1.565 -5.599 12.222 283 HD21 LEU 547 3HD2 LEU 547 4.761 -6.548 10.086 284 HD22 LEU 547 1HD2 LEU 547 4.558 -5.572 11.540 285 HD23 LEU 547 2HD2 LEU 547 3.710 -5.132 10.057 286 H MET 548 H MET 548 3.238 -6.964 8.340 287 HA MET 548 HA MET 548 1.442 -7.803 6.423 288 HB2 MET 548 2HB MET 548 0.164 -7.258 8.987 289 HB3 MET 548 1HB MET 548 -0.520 -6.308 7.677 290 HG2 MET 548 2HG MET 548 -0.209 -8.956 6.737 291 HG3 MET 548 1HG MET 548 -0.964 -9.035 8.327 292 HE1 MET 548 3HE MET 548 -2.647 -7.869 4.377 293 HE2 MET 548 1HE MET 548 -0.958 -8.106 4.825 294 HE3 MET 548 2HE MET 548 -1.691 -6.509 4.966 295 H HIS 549 H HIS 549 2.882 -5.274 8.250 296 HA HIS 549 HA HIS 549 1.842 -3.000 7.030 297 HB2 HIS 549 2HB HIS 549 4.180 -3.669 8.637 298 HB3 HIS 549 1HB HIS 549 4.486 -2.352 7.511 299 HD1 HIS 549 1HD HIS 549 1.014 -2.315 8.501 300 HD2 HIS 549 2HD HIS 549 4.586 -0.925 10.107 301 HE1 HIS 549 1HE HIS 549 0.357 -0.599 10.204 302 HE2 HIS 549 2HE HIS 549 2.534 0.288 11.114 303 H ASN 550 H ASN 550 3.661 -5.462 5.558 304 HA ASN 550 HA ASN 550 5.105 -3.900 3.668 305 HB2 ASN 550 2HB ASN 550 5.651 -6.265 4.307 306 HB3 ASN 550 1HB ASN 550 4.247 -6.783 3.382 307 HD21 ASN 550 1HD2 ASN 550 6.273 -7.966 2.486 308 HD22 ASN 550 2HD2 ASN 550 6.976 -7.238 1.085 309 H GLN 551 H GLN 551 1.963 -3.812 3.989 310 HA GLN 551 HA GLN 551 0.639 -4.591 1.737 311 HB2 GLN 551 2HB GLN 551 -0.907 -2.753 2.166 312 HB3 GLN 551 1HB GLN 551 -0.416 -3.518 3.673 313 HG2 GLN 551 2HG GLN 551 0.006 -1.458 4.394 314 HG3 GLN 551 1HG GLN 551 1.447 -1.538 3.386 315 HE21 GLN 551 1HE2 GLN 551 1.594 0.536 2.747 316 HE22 GLN 551 2HE2 GLN 551 0.392 1.361 1.820 317 H ASP 552 H ASP 552 -0.368 -2.762 0.201 318 HA ASP 552 HA ASP 552 1.688 -1.010 -0.883 319 HB2 ASP 552 2HB ASP 552 0.545 -3.377 -2.343 320 HB3 ASP 552 1HB ASP 552 1.115 -1.962 -3.224 321 H GLY 553 H GLY 553 -1.137 -0.976 0.340 322 HA2 GLY 553 2HA GLY 553 -3.043 0.275 0.095 323 HA3 GLY 553 1HA GLY 553 -2.087 1.287 -0.975 324 H LEU 554 H LEU 554 -3.090 -2.099 -1.372 325 HA LEU 554 HA LEU 554 -3.617 -2.027 -4.034 326 HB2 LEU 554 2HB LEU 554 -5.491 -3.790 -3.399 327 HB3 LEU 554 1HB LEU 554 -3.781 -4.160 -3.326 328 HG LEU 554 HG LEU 554 -4.627 -3.069 -0.809 329 HD11 LEU 554 1HD1 LEU 554 -6.426 -5.063 -2.057 330 HD12 LEU 554 2HD1 LEU 554 -6.777 -3.791 -0.888 331 HD13 LEU 554 3HD1 LEU 554 -6.005 -5.286 -0.358 332 HD21 LEU 554 3HD2 LEU 554 -2.667 -4.387 -0.966 333 HD22 LEU 554 1HD2 LEU 554 -3.538 -5.713 -1.737 334 HD23 LEU 554 2HD2 LEU 554 -3.834 -5.332 -0.040 335 H ILE 555 H ILE 555 -6.414 -2.097 -1.830 336 HA ILE 555 HA ILE 555 -8.455 -1.100 -1.942 337 HB ILE 555 HB ILE 555 -6.762 1.009 -3.268 338 HG12 ILE 555 2HG1 ILE 555 -7.056 2.207 -1.228 339 HG13 ILE 555 1HG1 ILE 555 -8.320 1.114 -0.685 340 HG21 ILE 555 1HG2 ILE 555 -8.802 1.414 -4.333 341 HG22 ILE 555 2HG2 ILE 555 -8.827 2.494 -2.939 342 HG23 ILE 555 3HG2 ILE 555 -9.740 0.985 -2.902 343 HD11 ILE 555 3HD1 ILE 555 -5.423 0.393 -1.032 344 HD12 ILE 555 1HD1 ILE 555 -6.695 -0.655 -0.410 345 HD13 ILE 555 2HD1 ILE 555 -6.211 0.776 0.497 346 H CYS 556 H CYS 556 -10.103 -1.774 -3.130 347 HA CYS 556 HA CYS 556 -9.737 -2.617 -5.841 348 HB2 CYS 556 2HB CYS 556 -12.325 -2.409 -4.295 349 HB3 CYS 556 1HB CYS 556 -12.023 -3.387 -5.726 350 H GLY 557 H GLY 557 -11.167 0.156 -4.246 351 HA2 GLY 557 2HA GLY 557 -11.312 2.264 -5.378 352 HA3 GLY 557 1HA GLY 557 -11.518 1.392 -6.892 353 H LEU 558 H LEU 558 -13.420 -0.472 -5.662 354 HA LEU 558 HA LEU 558 -15.649 0.892 -4.644 355 HB2 LEU 558 2HB LEU 558 -17.076 0.957 -6.597 356 HB3 LEU 558 1HB LEU 558 -15.630 1.905 -6.879 357 HG LEU 558 HG LEU 558 -15.735 -0.927 -7.847 358 HD11 LEU 558 1HD1 LEU 558 -17.785 -0.029 -8.691 359 HD12 LEU 558 2HD1 LEU 558 -16.608 -0.068 -10.005 360 HD13 LEU 558 3HD1 LEU 558 -16.981 1.457 -9.199 361 HD21 LEU 558 3HD2 LEU 558 -13.969 1.324 -8.078 362 HD22 LEU 558 1HD2 LEU 558 -14.524 0.818 -9.674 363 HD23 LEU 558 2HD2 LEU 558 -13.736 -0.343 -8.606 364 H ARG 559 H ARG 559 -14.478 -1.729 -6.645 365 HA ARG 559 HA ARG 559 -14.821 -3.943 -5.325 366 HB2 ARG 559 2HB ARG 559 -17.140 -4.804 -5.742 367 HB3 ARG 559 1HB ARG 559 -17.061 -3.507 -4.558 368 HG2 ARG 559 2HG ARG 559 -17.482 -2.131 -6.875 369 HG3 ARG 559 1HG ARG 559 -18.390 -3.616 -7.158 370 HD2 ARG 559 2HD ARG 559 -19.136 -3.053 -4.622 371 HD3 ARG 559 1HD ARG 559 -18.877 -1.426 -5.248 372 HE ARG 559 HE ARG 559 -20.431 -2.961 -7.053 373 HH11 ARG 559 1HH1 ARG 559 -20.629 -1.267 -4.009 374 HH12 ARG 559 2HH1 ARG 559 -22.323 -0.941 -4.158 375 HH21 ARG 559 1HH2 ARG 559 -22.658 -2.534 -7.251 376 HH22 ARG 559 2HH2 ARG 559 -23.476 -1.661 -5.998 377 H GLN 560 H GLN 560 -14.401 -5.672 -6.640 378 HA GLN 560 HA GLN 560 -15.227 -5.609 -9.399 379 HB2 GLN 560 2HB GLN 560 -13.072 -4.242 -9.169 380 HB3 GLN 560 1HB GLN 560 -12.272 -5.776 -8.845 381 HG2 GLN 560 2HG GLN 560 -13.258 -6.583 -11.033 382 HG3 GLN 560 1HG GLN 560 -13.661 -4.896 -11.350 383 HE21 GLN 560 1HE2 GLN 560 -10.844 -6.581 -9.995 384 HE22 GLN 560 2HE2 GLN 560 -9.685 -5.848 -11.046 Start of MODEL 10 1 H1 ALA 507 1HT ALA 507 -15.473 5.329 5.258 2 H2 ALA 507 2HT ALA 507 -16.597 6.483 4.665 3 H3 ALA 507 3HT ALA 507 -15.097 6.251 3.864 4 HA ALA 507 HA ALA 507 -17.008 4.064 4.193 5 HB1 ALA 507 2HB ALA 507 -17.183 6.401 2.389 6 HB2 ALA 507 3HB ALA 507 -18.457 5.379 3.051 7 HB3 ALA 507 1HB ALA 507 -17.501 4.818 1.680 8 H GLN 508 H GLN 508 -16.115 2.249 3.477 9 HA GLN 508 HA GLN 508 -13.914 2.433 1.529 10 HB2 GLN 508 2HB GLN 508 -13.994 1.123 4.178 11 HB3 GLN 508 1HB GLN 508 -13.280 0.170 2.886 12 HG2 GLN 508 2HG GLN 508 -11.390 1.228 3.378 13 HG3 GLN 508 1HG GLN 508 -12.092 2.608 2.535 14 HE21 GLN 508 1HE2 GLN 508 -11.484 1.160 5.654 15 HE22 GLN 508 2HE2 GLN 508 -11.690 2.603 6.583 16 HA PRO 509 HA PRO 509 -16.054 -0.856 -0.520 17 HB2 PRO 509 2HB PRO 509 -14.101 -1.786 -2.109 18 HB3 PRO 509 1HB PRO 509 -14.730 -0.145 -2.273 19 HG2 PRO 509 2HG PRO 509 -12.137 -1.054 -1.215 20 HG3 PRO 509 1HG PRO 509 -12.595 0.527 -1.862 21 HD2 PRO 509 2HD PRO 509 -12.423 -0.312 0.900 22 HD3 PRO 509 1HD PRO 509 -12.782 1.303 0.257 23 H LYS 510 H LYS 510 -14.497 -1.581 2.062 24 HA LYS 510 HA LYS 510 -13.860 -3.433 3.237 25 HB2 LYS 510 2HB LYS 510 -16.354 -4.036 1.792 26 HB3 LYS 510 1HB LYS 510 -15.516 -5.434 2.450 27 HG2 LYS 510 2HG LYS 510 -15.803 -3.157 4.287 28 HG3 LYS 510 1HG LYS 510 -17.304 -3.958 3.817 29 HD2 LYS 510 2HD LYS 510 -16.504 -6.070 4.605 30 HD3 LYS 510 1HD LYS 510 -14.886 -5.417 4.869 31 HE2 LYS 510 2HE LYS 510 -15.454 -4.447 6.827 32 HE3 LYS 510 1HE LYS 510 -17.070 -4.022 6.268 33 HZ1 LYS 510 3HZ LYS 510 -16.136 -6.462 7.573 34 HZ2 LYS 510 1HZ LYS 510 -17.360 -6.623 6.415 35 HZ3 LYS 510 2HZ LYS 510 -17.594 -5.626 7.761 36 H CYS 511 H CYS 511 -12.165 -3.092 1.037 37 HA CYS 511 HA CYS 511 -11.263 -5.821 0.705 38 HB2 CYS 511 2HB CYS 511 -11.026 -5.598 -1.771 39 HB3 CYS 511 1HB CYS 511 -12.697 -5.671 -1.223 40 H ASN 512 H ASN 512 -10.208 -3.679 2.149 41 HA ASN 512 HA ASN 512 -7.889 -2.830 0.559 42 HB2 ASN 512 2HB ASN 512 -7.519 -1.140 2.299 43 HB3 ASN 512 1HB ASN 512 -9.148 -1.018 1.640 44 HD21 ASN 512 1HD2 ASN 512 -10.894 -1.492 2.921 45 HD22 ASN 512 2HD2 ASN 512 -10.771 -1.726 4.628 46 HA PRO 513 HA PRO 513 -5.389 -5.626 2.881 47 HB2 PRO 513 2HB PRO 513 -2.933 -4.661 2.345 48 HB3 PRO 513 1HB PRO 513 -3.925 -5.453 1.116 49 HG2 PRO 513 2HG PRO 513 -3.431 -2.543 1.563 50 HG3 PRO 513 1HG PRO 513 -3.569 -3.438 0.046 51 HD2 PRO 513 2HD PRO 513 -5.586 -1.932 1.175 52 HD3 PRO 513 1HD PRO 513 -5.840 -3.240 0.005 53 H ASN 514 H ASN 514 -3.146 -2.992 3.320 54 HA ASN 514 HA ASN 514 -3.918 -2.737 6.146 55 HB2 ASN 514 2HB ASN 514 -1.380 -3.671 4.971 56 HB3 ASN 514 1HB ASN 514 -1.217 -2.474 6.249 57 HD21 ASN 514 1HD2 ASN 514 -2.185 -5.698 5.446 58 HD22 ASN 514 2HD2 ASN 514 -2.359 -6.275 7.064 59 H LEU 515 H LEU 515 -1.362 -1.512 4.058 60 HA LEU 515 HA LEU 515 -0.444 0.585 3.924 61 HB2 LEU 515 2HB LEU 515 -1.827 1.993 2.578 62 HB3 LEU 515 1HB LEU 515 -2.080 0.319 2.122 63 HG LEU 515 HG LEU 515 -4.055 0.771 3.999 64 HD11 LEU 515 1HD1 LEU 515 -4.620 2.985 2.206 65 HD12 LEU 515 2HD1 LEU 515 -3.238 3.295 3.255 66 HD13 LEU 515 3HD1 LEU 515 -4.798 2.871 3.957 67 HD21 LEU 515 3HD2 LEU 515 -5.433 1.049 1.751 68 HD22 LEU 515 1HD2 LEU 515 -4.718 -0.491 2.231 69 HD23 LEU 515 2HD2 LEU 515 -3.899 0.532 1.050 70 H HIS 516 H HIS 516 -0.844 0.232 6.547 71 HA HIS 516 HA HIS 516 -2.214 2.644 7.502 72 HB2 HIS 516 2HB HIS 516 -2.483 0.137 8.424 73 HB3 HIS 516 1HB HIS 516 -1.143 0.665 9.436 74 HD1 HIS 516 1HD HIS 516 -4.005 2.890 8.386 75 HD2 HIS 516 2HD HIS 516 -2.561 0.966 11.774 76 HE1 HIS 516 1HE HIS 516 -5.384 3.767 10.296 77 HE2 HIS 516 2HE HIS 516 -4.547 2.529 12.324 78 H TYR 517 H TYR 517 0.889 1.607 6.719 79 HA TYR 517 HA TYR 517 2.271 2.911 8.873 80 HB2 TYR 517 2HB TYR 517 4.260 2.214 7.871 81 HB3 TYR 517 1HB TYR 517 3.126 0.965 7.381 82 HD1 TYR 517 2HD TYR 517 4.311 4.286 6.107 83 HD2 TYR 517 1HD TYR 517 3.306 0.248 5.194 84 HE1 TYR 517 2HE TYR 517 4.890 4.680 3.763 85 HE2 TYR 517 1HE TYR 517 3.889 0.637 2.847 86 HH TYR 517 HH TYR 517 4.087 2.516 1.276 87 H TRP 518 H TRP 518 0.961 3.877 5.827 88 HA TRP 518 HA TRP 518 2.287 6.478 6.041 89 HB2 TRP 518 2HB TRP 518 2.403 4.915 3.898 90 HB3 TRP 518 1HB TRP 518 0.851 5.675 3.565 91 HD1 TRP 518 HD TRP 518 1.022 7.793 2.176 92 HE1 TRP 518 1HE TRP 518 2.816 9.583 1.731 93 HE3 TRP 518 3HE TRP 518 4.659 6.087 5.327 94 HZ2 TRP 518 2HZ TRP 518 5.432 10.190 2.605 95 HZ3 TRP 518 3HZ TRP 518 6.780 7.328 5.467 96 HH2 TRP 518 HH TRP 518 7.156 9.338 4.132 97 H THR 519 H THR 519 1.144 8.239 6.202 98 HA THR 519 HA THR 519 -1.033 8.753 7.470 99 HB THR 519 HB THR 519 0.053 10.582 6.473 100 HG1 THR 519 1HG THR 519 -1.680 11.715 5.482 101 HG21 THR 519 3HG2 THR 519 0.322 9.097 4.223 102 HG22 THR 519 1HG2 THR 519 0.652 10.826 4.339 103 HG23 THR 519 2HG2 THR 519 -0.905 10.265 3.729 104 H THR 520 H THR 520 -1.356 7.988 3.988 105 HA THR 520 HA THR 520 -3.546 6.298 4.262 106 HB THR 520 HB THR 520 -4.538 8.581 5.024 107 HG1 THR 520 1HG THR 520 -6.178 7.321 4.775 108 HG21 THR 520 3HG2 THR 520 -4.717 8.926 2.038 109 HG22 THR 520 1HG2 THR 520 -3.793 9.942 3.145 110 HG23 THR 520 2HG2 THR 520 -5.553 9.896 3.253 111 H GLN 521 H GLN 521 -2.370 8.929 2.171 112 HA GLN 521 HA GLN 521 -3.247 8.141 -0.271 113 HB2 GLN 521 2HB GLN 521 -1.197 9.140 -1.235 114 HB3 GLN 521 1HB GLN 521 -1.957 10.155 -0.015 115 HG2 GLN 521 2HG GLN 521 -0.309 9.395 1.628 116 HG3 GLN 521 1HG GLN 521 0.456 8.402 0.388 117 HE21 GLN 521 1HE2 GLN 521 0.097 11.549 1.703 118 HE22 GLN 521 2HE2 GLN 521 1.218 12.354 0.665 119 H ASP 522 H ASP 522 -2.377 6.950 -2.013 120 HA ASP 522 HA ASP 522 -1.768 4.327 -1.496 121 HB2 ASP 522 2HB ASP 522 -0.885 4.300 -3.899 122 HB3 ASP 522 1HB ASP 522 -2.545 4.840 -3.662 123 H GLU 523 H GLU 523 -0.151 4.072 0.020 124 HA GLU 523 HA GLU 523 2.521 5.071 -0.579 125 HB2 GLU 523 2HB GLU 523 3.105 4.260 1.632 126 HB3 GLU 523 1HB GLU 523 1.660 5.253 1.704 127 HG2 GLU 523 2HG GLU 523 1.162 2.385 1.377 128 HG3 GLU 523 1HG GLU 523 1.934 2.838 2.894 129 H GLY 524 H GLY 524 2.210 3.569 -2.539 130 HA2 GLY 524 2HA GLY 524 3.811 1.856 -3.291 131 HA3 GLY 524 1HA GLY 524 3.352 0.930 -1.866 132 H ALA 525 H ALA 525 0.658 2.460 -2.983 133 HA ALA 525 HA ALA 525 -0.605 0.083 -3.837 134 HB1 ALA 525 1HB ALA 525 -1.799 2.679 -4.595 135 HB2 ALA 525 2HB ALA 525 -1.506 2.413 -2.878 136 HB3 ALA 525 3HB ALA 525 -2.522 1.291 -3.783 137 H ALA 526 H ALA 526 1.403 -0.095 -5.468 138 HA ALA 526 HA ALA 526 2.086 -0.284 -7.615 139 HB1 ALA 526 1HB ALA 526 -0.842 0.098 -8.209 140 HB2 ALA 526 2HB ALA 526 -0.040 -1.438 -7.879 141 HB3 ALA 526 3HB ALA 526 0.365 -0.526 -9.332 142 H ILE 527 H ILE 527 3.268 1.637 -7.429 143 HA ILE 527 HA ILE 527 2.771 3.506 -9.471 144 HB ILE 527 HB ILE 527 1.182 4.419 -7.969 145 HG12 ILE 527 2HG1 ILE 527 3.559 6.201 -7.521 146 HG13 ILE 527 1HG1 ILE 527 2.938 5.943 -9.149 147 HG21 ILE 527 1HG2 ILE 527 3.204 4.833 -5.831 148 HG22 ILE 527 2HG2 ILE 527 2.385 3.277 -5.994 149 HG23 ILE 527 3HG2 ILE 527 1.444 4.745 -5.716 150 HD11 ILE 527 3HD1 ILE 527 0.852 6.915 -8.596 151 HD12 ILE 527 1HD1 ILE 527 2.104 7.990 -7.974 152 HD13 ILE 527 2HD1 ILE 527 1.236 6.918 -6.875 153 H GLY 528 H GLY 528 4.355 3.166 -6.303 154 HA2 GLY 528 2HA GLY 528 6.551 3.308 -5.678 155 HA3 GLY 528 1HA GLY 528 6.944 2.948 -7.346 156 H ALA 529 H ALA 529 5.357 5.547 -8.035 157 HA ALA 529 HA ALA 529 6.064 7.607 -8.742 158 HB1 ALA 529 1HB ALA 529 5.929 9.099 -7.040 159 HB2 ALA 529 2HB ALA 529 7.054 8.205 -6.017 160 HB3 ALA 529 3HB ALA 529 5.381 7.667 -6.166 161 H ALA 530 H ALA 530 8.076 5.561 -9.054 162 HA ALA 530 HA ALA 530 10.264 6.934 -9.923 163 HB1 ALA 530 1HB ALA 530 10.262 6.866 -7.058 164 HB2 ALA 530 2HB ALA 530 11.445 7.592 -8.145 165 HB3 ALA 530 3HB ALA 530 11.614 5.906 -7.657 166 H TRP 531 H TRP 531 8.973 4.832 -10.869 167 HA TRP 531 HA TRP 531 8.940 2.537 -11.237 168 HB2 TRP 531 2HB TRP 531 11.244 1.932 -12.280 169 HB3 TRP 531 1HB TRP 531 10.206 3.111 -13.077 170 HD1 TRP 531 HD TRP 531 12.821 3.532 -10.232 171 HE1 TRP 531 1HE TRP 531 14.426 5.428 -10.912 172 HE3 TRP 531 3HE TRP 531 10.878 4.631 -14.830 173 HZ2 TRP 531 2HZ TRP 531 14.816 7.157 -13.109 174 HZ3 TRP 531 3HZ TRP 531 11.925 6.419 -16.158 175 HH2 TRP 531 HH TRP 531 13.853 7.655 -15.313 176 H ILE 532 H ILE 532 9.182 2.846 -8.622 177 HA ILE 532 HA ILE 532 10.959 0.645 -7.919 178 HB ILE 532 HB ILE 532 11.955 2.846 -7.393 179 HG12 ILE 532 2HG1 ILE 532 11.209 1.167 -4.983 180 HG13 ILE 532 1HG1 ILE 532 12.551 0.856 -6.073 181 HG21 ILE 532 1HG2 ILE 532 9.507 3.663 -6.859 182 HG22 ILE 532 2HG2 ILE 532 10.923 4.421 -6.115 183 HG23 ILE 532 3HG2 ILE 532 9.981 3.234 -5.211 184 HD11 ILE 532 3HD1 ILE 532 12.284 3.362 -4.442 185 HD12 ILE 532 1HD1 ILE 532 13.689 2.806 -5.353 186 HD13 ILE 532 2HD1 ILE 532 13.166 1.930 -3.910 187 HA PRO 533 HA PRO 533 6.574 0.930 -5.849 188 HB2 PRO 533 2HB PRO 533 5.031 -0.454 -7.637 189 HB3 PRO 533 1HB PRO 533 5.120 1.307 -7.583 190 HG2 PRO 533 2HG PRO 533 6.525 -0.601 -9.395 191 HG3 PRO 533 1HG PRO 533 5.791 0.967 -9.769 192 HD2 PRO 533 2HD PRO 533 8.448 0.646 -9.466 193 HD3 PRO 533 1HD PRO 533 7.605 2.141 -9.014 194 H TYR 534 H TYR 534 8.509 -1.262 -7.581 195 HA TYR 534 HA TYR 534 7.523 -3.747 -6.819 196 HB2 TYR 534 2HB TYR 534 10.379 -2.893 -7.360 197 HB3 TYR 534 1HB TYR 534 9.792 -4.553 -7.359 198 HD1 TYR 534 1HD TYR 534 9.664 -1.309 -9.198 199 HD2 TYR 534 2HD TYR 534 8.622 -5.452 -9.223 200 HE1 TYR 534 1HE TYR 534 9.100 -1.159 -11.579 201 HE2 TYR 534 2HE TYR 534 8.060 -5.295 -11.609 202 HH TYR 534 HH TYR 534 7.280 -3.203 -13.182 203 H PHE 535 H PHE 535 10.233 -1.905 -5.395 204 HA PHE 535 HA PHE 535 9.567 -3.108 -2.798 205 HB2 PHE 535 2HB PHE 535 12.091 -3.099 -2.363 206 HB3 PHE 535 1HB PHE 535 11.452 -4.354 -3.418 207 HD1 PHE 535 1HD PHE 535 13.187 -1.084 -3.398 208 HD2 PHE 535 2HD PHE 535 12.218 -4.582 -5.620 209 HE1 PHE 535 1HE PHE 535 14.770 -0.403 -5.155 210 HE2 PHE 535 2HE PHE 535 13.800 -3.908 -7.380 211 HZ PHE 535 HZ PHE 535 15.079 -1.815 -7.148 212 H GLY 536 H GLY 536 9.466 -0.346 -4.339 213 HA2 GLY 536 2HA GLY 536 11.036 1.493 -2.922 214 HA3 GLY 536 1HA GLY 536 9.520 1.867 -3.732 215 HA PRO 537 HA PRO 537 7.984 2.475 0.435 216 HB2 PRO 537 2HB PRO 537 5.557 3.321 -0.154 217 HB3 PRO 537 1HB PRO 537 6.942 4.268 -0.729 218 HG2 PRO 537 2HG PRO 537 5.373 2.167 -2.200 219 HG3 PRO 537 1HG PRO 537 5.717 3.833 -2.719 220 HD2 PRO 537 2HD PRO 537 7.197 1.701 -3.505 221 HD3 PRO 537 1HD PRO 537 7.907 3.315 -3.274 222 H ALA 538 H ALA 538 7.969 -0.146 -0.957 223 HA ALA 538 HA ALA 538 5.658 -1.356 0.341 224 HB1 ALA 538 1HB ALA 538 6.910 -2.287 -2.242 225 HB2 ALA 538 2HB ALA 538 5.457 -1.288 -2.156 226 HB3 ALA 538 3HB ALA 538 5.450 -2.914 -1.472 227 H ALA 539 H ALA 539 9.003 -1.212 -0.340 228 HA ALA 539 HA ALA 539 9.517 -3.244 1.635 229 HB1 ALA 539 1HB ALA 539 9.335 -4.561 -0.390 230 HB2 ALA 539 2HB ALA 539 10.983 -4.582 0.238 231 HB3 ALA 539 3HB ALA 539 10.581 -3.572 -1.149 232 H GLU 540 H GLU 540 10.155 -0.254 0.764 233 HA GLU 540 HA GLU 540 13.032 -0.197 0.800 234 HB2 GLU 540 2HB GLU 540 12.778 2.224 1.121 235 HB3 GLU 540 1HB GLU 540 11.810 1.644 -0.223 236 HG2 GLU 540 2HG GLU 540 9.882 1.550 1.466 237 HG3 GLU 540 1HG GLU 540 10.911 2.559 2.481 238 H GLY 541 H GLY 541 12.675 -1.785 2.719 239 HA2 GLY 541 2HA GLY 541 13.629 -1.887 4.916 240 HA3 GLY 541 1HA GLY 541 13.045 -0.246 5.197 241 H ILE 542 H ILE 542 10.555 -1.252 3.672 242 HA ILE 542 HA ILE 542 8.917 -1.708 5.915 243 HB ILE 542 HB ILE 542 8.572 -1.462 2.994 244 HG12 ILE 542 2HG1 ILE 542 6.663 -0.689 5.178 245 HG13 ILE 542 1HG1 ILE 542 8.146 0.222 4.906 246 HG21 ILE 542 1HG2 ILE 542 6.188 -2.330 3.203 247 HG22 ILE 542 2HG2 ILE 542 6.749 -3.192 4.635 248 HG23 ILE 542 3HG2 ILE 542 7.480 -3.528 3.064 249 HD11 ILE 542 3HD1 ILE 542 5.833 -0.154 3.040 250 HD12 ILE 542 1HD1 ILE 542 7.400 0.453 2.506 251 HD13 ILE 542 2HD1 ILE 542 6.474 1.346 3.712 252 H TYR 543 H TYR 543 10.020 -3.833 3.280 253 HA TYR 543 HA TYR 543 8.734 -6.158 3.856 254 HB2 TYR 543 2HB TYR 543 10.511 -7.347 2.773 255 HB3 TYR 543 1HB TYR 543 10.344 -5.788 1.973 256 HD1 TYR 543 1HD TYR 543 11.840 -3.901 3.305 257 HD2 TYR 543 2HD TYR 543 12.681 -8.051 2.999 258 HE1 TYR 543 1HE TYR 543 14.228 -3.433 3.683 259 HE2 TYR 543 2HE TYR 543 15.071 -7.606 3.376 260 HH TYR 543 HH TYR 543 16.234 -4.696 4.550 261 H ALA 544 H ALA 544 11.469 -4.776 5.549 262 HA ALA 544 HA ALA 544 12.345 -6.861 7.112 263 HB1 ALA 544 1HB ALA 544 13.222 -4.498 7.049 264 HB2 ALA 544 2HB ALA 544 13.146 -5.236 8.649 265 HB3 ALA 544 3HB ALA 544 11.914 -4.074 8.154 266 H GLU 545 H GLU 545 9.524 -4.823 7.509 267 HA GLU 545 HA GLU 545 8.687 -5.743 10.046 268 HB2 GLU 545 2HB GLU 545 6.734 -4.917 7.911 269 HB3 GLU 545 1HB GLU 545 6.688 -4.585 9.638 270 HG2 GLU 545 2HG GLU 545 9.005 -3.370 8.543 271 HG3 GLU 545 1HG GLU 545 7.620 -2.960 7.536 272 H GLY 546 H GLY 546 7.495 -6.454 6.817 273 HA2 GLY 546 2HA GLY 546 6.392 -8.242 5.943 274 HA3 GLY 546 1HA GLY 546 7.537 -9.185 6.878 275 H LEU 547 H LEU 547 5.358 -7.139 8.611 276 HA LEU 547 HA LEU 547 3.815 -9.517 9.407 277 HB2 LEU 547 2HB LEU 547 3.339 -7.980 11.475 278 HB3 LEU 547 1HB LEU 547 4.816 -8.918 11.372 279 HG LEU 547 HG LEU 547 6.048 -6.941 10.639 280 HD11 LEU 547 1HD1 LEU 547 4.778 -5.470 9.501 281 HD12 LEU 547 2HD1 LEU 547 4.556 -4.751 11.095 282 HD13 LEU 547 3HD1 LEU 547 3.331 -5.834 10.438 283 HD21 LEU 547 3HD2 LEU 547 6.345 -6.177 12.739 284 HD22 LEU 547 1HD2 LEU 547 5.247 -7.494 13.152 285 HD23 LEU 547 2HD2 LEU 547 4.628 -5.852 12.977 286 H MET 548 H MET 548 3.666 -6.352 8.100 287 HA MET 548 HA MET 548 1.028 -6.583 7.229 288 HB2 MET 548 2HB MET 548 -0.158 -5.009 8.629 289 HB3 MET 548 1HB MET 548 0.494 -6.295 9.634 290 HG2 MET 548 2HG MET 548 1.610 -4.846 10.876 291 HG3 MET 548 1HG MET 548 2.371 -4.130 9.459 292 HE1 MET 548 3HE MET 548 1.407 -1.479 11.757 293 HE2 MET 548 1HE MET 548 1.582 -3.177 12.198 294 HE3 MET 548 2HE MET 548 0.029 -2.367 12.409 295 H HIS 549 H HIS 549 3.734 -4.549 8.086 296 HA HIS 549 HA HIS 549 2.988 -2.296 6.540 297 HB2 HIS 549 2HB HIS 549 5.444 -3.222 7.928 298 HB3 HIS 549 1HB HIS 549 5.650 -2.021 6.652 299 HD1 HIS 549 1HD HIS 549 2.475 -1.784 8.436 300 HD2 HIS 549 2HD HIS 549 6.297 -0.205 8.822 301 HE1 HIS 549 1HE HIS 549 2.236 0.169 9.978 302 HE2 HIS 549 2HE HIS 549 4.541 1.178 10.126 303 H ASN 550 H ASN 550 4.396 -5.360 5.773 304 HA ASN 550 HA ASN 550 5.764 -4.738 3.417 305 HB2 ASN 550 2HB ASN 550 5.969 -6.897 4.579 306 HB3 ASN 550 1HB ASN 550 4.318 -7.297 4.117 307 HD21 ASN 550 1HD2 ASN 550 7.146 -5.957 2.435 308 HD22 ASN 550 2HD2 ASN 550 7.114 -7.085 1.128 309 H GLN 551 H GLN 551 2.464 -4.635 4.087 310 HA GLN 551 HA GLN 551 1.093 -5.427 1.880 311 HB2 GLN 551 2HB GLN 551 -0.441 -3.484 2.385 312 HB3 GLN 551 1HB GLN 551 -0.071 -4.533 3.749 313 HG2 GLN 551 2HG GLN 551 0.189 -2.471 4.705 314 HG3 GLN 551 1HG GLN 551 1.839 -2.809 4.186 315 HE21 GLN 551 1HE2 GLN 551 2.656 -0.891 3.691 316 HE22 GLN 551 2HE2 GLN 551 1.956 0.245 2.592 317 H ASP 552 H ASP 552 -0.087 -3.684 0.408 318 HA ASP 552 HA ASP 552 1.928 -1.954 -0.855 319 HB2 ASP 552 2HB ASP 552 0.464 -4.233 -2.031 320 HB3 ASP 552 1HB ASP 552 0.472 -2.768 -3.008 321 H GLY 553 H GLY 553 -1.531 -2.789 -0.665 322 HA2 GLY 553 2HA GLY 553 -3.064 -1.015 0.022 323 HA3 GLY 553 1HA GLY 553 -2.106 0.095 -0.945 324 H LEU 554 H LEU 554 -3.343 -3.132 -1.777 325 HA LEU 554 HA LEU 554 -3.997 -2.695 -4.356 326 HB2 LEU 554 2HB LEU 554 -6.044 -4.307 -3.803 327 HB3 LEU 554 1HB LEU 554 -4.387 -4.865 -3.907 328 HG LEU 554 HG LEU 554 -4.895 -4.029 -1.221 329 HD11 LEU 554 1HD1 LEU 554 -6.838 -4.956 -0.599 330 HD12 LEU 554 2HD1 LEU 554 -6.668 -6.309 -1.717 331 HD13 LEU 554 3HD1 LEU 554 -7.270 -4.757 -2.296 332 HD21 LEU 554 3HD2 LEU 554 -3.210 -5.579 -1.528 333 HD22 LEU 554 1HD2 LEU 554 -4.171 -6.555 -2.639 334 HD23 LEU 554 2HD2 LEU 554 -4.528 -6.577 -0.913 335 H ILE 555 H ILE 555 -6.753 -2.817 -2.127 336 HA ILE 555 HA ILE 555 -8.667 -1.588 -2.008 337 HB ILE 555 HB ILE 555 -7.186 0.641 -3.384 338 HG12 ILE 555 2HG1 ILE 555 -5.715 0.100 -1.639 339 HG13 ILE 555 1HG1 ILE 555 -6.716 1.385 -0.972 340 HG21 ILE 555 1HG2 ILE 555 -8.886 1.971 -2.802 341 HG22 ILE 555 2HG2 ILE 555 -9.036 1.238 -1.206 342 HG23 ILE 555 3HG2 ILE 555 -9.790 0.471 -2.602 343 HD11 ILE 555 3HD1 ILE 555 -6.854 -1.550 -0.419 344 HD12 ILE 555 1HD1 ILE 555 -8.138 -0.432 0.035 345 HD13 ILE 555 2HD1 ILE 555 -6.520 -0.237 0.709 346 H CYS 556 H CYS 556 -10.403 -1.902 -3.222 347 HA CYS 556 HA CYS 556 -10.248 -2.494 -5.983 348 HB2 CYS 556 2HB CYS 556 -12.711 -1.802 -4.367 349 HB3 CYS 556 1HB CYS 556 -12.673 -2.663 -5.901 350 H GLY 557 H GLY 557 -10.986 0.413 -4.184 351 HA2 GLY 557 2HA GLY 557 -10.528 2.555 -5.201 352 HA3 GLY 557 1HA GLY 557 -11.066 1.884 -6.734 353 H LEU 558 H LEU 558 -13.400 0.607 -5.648 354 HA LEU 558 HA LEU 558 -15.111 2.295 -4.246 355 HB2 LEU 558 2HB LEU 558 -16.291 3.501 -5.879 356 HB3 LEU 558 1HB LEU 558 -14.600 3.737 -6.279 357 HG LEU 558 HG LEU 558 -15.907 1.457 -7.601 358 HD11 LEU 558 1HD1 LEU 558 -16.670 4.303 -8.207 359 HD12 LEU 558 2HD1 LEU 558 -17.736 2.960 -7.788 360 HD13 LEU 558 3HD1 LEU 558 -16.890 2.966 -9.336 361 HD21 LEU 558 3HD2 LEU 558 -14.673 2.671 -9.549 362 HD22 LEU 558 1HD2 LEU 558 -13.762 1.778 -8.330 363 HD23 LEU 558 2HD2 LEU 558 -13.873 3.537 -8.236 364 H ARG 559 H ARG 559 -14.459 -0.579 -5.243 365 HA ARG 559 HA ARG 559 -15.616 -2.534 -5.378 366 HB2 ARG 559 2HB ARG 559 -18.141 -0.923 -4.988 367 HB3 ARG 559 1HB ARG 559 -17.914 -2.642 -4.699 368 HG2 ARG 559 2HG ARG 559 -17.654 -2.033 -2.573 369 HG3 ARG 559 1HG ARG 559 -16.025 -1.586 -3.076 370 HD2 ARG 559 2HD ARG 559 -17.049 0.229 -1.823 371 HD3 ARG 559 1HD ARG 559 -16.797 0.709 -3.499 372 HE ARG 559 HE ARG 559 -19.049 0.966 -3.710 373 HH11 ARG 559 1HH1 ARG 559 -18.432 -1.094 -0.961 374 HH12 ARG 559 2HH1 ARG 559 -20.093 -1.158 -0.476 375 HH21 ARG 559 1HH2 ARG 559 -21.236 0.884 -3.073 376 HH22 ARG 559 2HH2 ARG 559 -21.685 -0.035 -1.675 377 H GLN 560 H GLN 560 -16.559 -3.745 -6.975 378 HA GLN 560 HA GLN 560 -18.146 -2.657 -9.067 379 HB2 GLN 560 2HB GLN 560 -16.497 -2.981 -10.904 380 HB3 GLN 560 1HB GLN 560 -16.088 -1.659 -9.818 381 HG2 GLN 560 2HG GLN 560 -14.391 -2.942 -8.763 382 HG3 GLN 560 1HG GLN 560 -14.913 -4.415 -9.579 383 HE21 GLN 560 1HE2 GLN 560 -13.364 -4.981 -10.931 384 HE22 GLN 560 2HE2 GLN 560 -12.563 -3.937 -12.050 Start of MODEL 11 1 H1 ALA 507 1HT ALA 507 -16.940 5.348 -4.432 2 H2 ALA 507 2HT ALA 507 -17.584 6.804 -3.790 3 H3 ALA 507 3HT ALA 507 -18.520 5.364 -3.767 4 HA ALA 507 HA ALA 507 -16.216 6.127 -2.150 5 HB1 ALA 507 2HB ALA 507 -18.978 5.060 -1.638 6 HB2 ALA 507 3HB ALA 507 -18.285 6.601 -1.134 7 HB3 ALA 507 1HB ALA 507 -17.731 5.101 -0.393 8 H GLN 508 H GLN 508 -15.319 4.442 -0.762 9 HA GLN 508 HA GLN 508 -14.742 2.063 -2.292 10 HB2 GLN 508 2HB GLN 508 -13.104 1.579 -0.557 11 HB3 GLN 508 1HB GLN 508 -12.955 3.249 -1.088 12 HG2 GLN 508 2HG GLN 508 -14.392 3.859 0.908 13 HG3 GLN 508 1HG GLN 508 -14.129 2.209 1.471 14 HE21 GLN 508 1HE2 GLN 508 -13.316 4.084 3.121 15 HE22 GLN 508 2HE2 GLN 508 -11.597 4.263 3.107 16 HA PRO 509 HA PRO 509 -17.491 -0.508 0.077 17 HB2 PRO 509 2HB PRO 509 -16.847 -2.864 -1.020 18 HB3 PRO 509 1HB PRO 509 -17.618 -1.590 -1.969 19 HG2 PRO 509 2HG PRO 509 -14.838 -2.566 -2.050 20 HG3 PRO 509 1HG PRO 509 -15.767 -1.718 -3.294 21 HD2 PRO 509 2HD PRO 509 -13.854 -0.629 -1.423 22 HD3 PRO 509 1HD PRO 509 -14.720 0.207 -2.727 23 H LYS 510 H LYS 510 -14.667 0.053 1.152 24 HA LYS 510 HA LYS 510 -13.358 -0.624 2.878 25 HB2 LYS 510 2HB LYS 510 -15.897 -2.131 3.424 26 HB3 LYS 510 1HB LYS 510 -14.498 -2.289 4.474 27 HG2 LYS 510 2HG LYS 510 -14.624 0.347 4.456 28 HG3 LYS 510 1HG LYS 510 -16.314 0.018 4.069 29 HD2 LYS 510 2HD LYS 510 -15.450 -1.690 6.209 30 HD3 LYS 510 1HD LYS 510 -15.086 -0.009 6.599 31 HE2 LYS 510 2HE LYS 510 -17.775 -0.851 5.561 32 HE3 LYS 510 1HE LYS 510 -17.379 -0.924 7.277 33 HZ1 LYS 510 3HZ LYS 510 -18.036 1.186 7.339 34 HZ2 LYS 510 1HZ LYS 510 -18.027 1.344 5.653 35 HZ3 LYS 510 2HZ LYS 510 -16.601 1.577 6.533 36 H CYS 511 H CYS 511 -12.077 -1.606 1.071 37 HA CYS 511 HA CYS 511 -11.691 -4.454 1.629 38 HB2 CYS 511 2HB CYS 511 -11.297 -4.795 -0.866 39 HB3 CYS 511 1HB CYS 511 -12.971 -4.587 -0.357 40 H ASN 512 H ASN 512 -10.259 -2.040 2.409 41 HA ASN 512 HA ASN 512 -7.872 -1.884 0.821 42 HB2 ASN 512 2HB ASN 512 -8.135 -0.892 3.651 43 HB3 ASN 512 1HB ASN 512 -7.120 -0.262 2.360 44 HD21 ASN 512 1HD2 ASN 512 -8.861 1.282 3.932 45 HD22 ASN 512 2HD2 ASN 512 -10.088 1.927 2.901 46 HA PRO 513 HA PRO 513 -5.608 -5.162 2.693 47 HB2 PRO 513 2HB PRO 513 -3.061 -4.325 2.355 48 HB3 PRO 513 1HB PRO 513 -4.072 -4.869 1.011 49 HG2 PRO 513 2HG PRO 513 -3.422 -2.082 1.886 50 HG3 PRO 513 1HG PRO 513 -3.516 -2.748 0.251 51 HD2 PRO 513 2HD PRO 513 -5.508 -1.284 1.398 52 HD3 PRO 513 1HD PRO 513 -5.793 -2.515 0.151 53 H ASN 514 H ASN 514 -3.249 -2.718 3.535 54 HA ASN 514 HA ASN 514 -3.945 -2.958 6.383 55 HB2 ASN 514 2HB ASN 514 -1.456 -3.660 4.973 56 HB3 ASN 514 1HB ASN 514 -1.233 -2.683 6.417 57 HD21 ASN 514 1HD2 ASN 514 -3.302 -5.405 5.448 58 HD22 ASN 514 2HD2 ASN 514 -2.986 -6.365 6.850 59 H LEU 515 H LEU 515 -1.511 -1.368 4.398 60 HA LEU 515 HA LEU 515 -0.589 0.722 4.570 61 HB2 LEU 515 2HB LEU 515 -2.054 2.333 3.592 62 HB3 LEU 515 1HB LEU 515 -2.353 0.761 2.875 63 HG LEU 515 HG LEU 515 -4.190 0.869 4.929 64 HD11 LEU 515 1HD1 LEU 515 -3.530 3.586 4.058 65 HD12 LEU 515 2HD1 LEU 515 -4.379 3.029 5.500 66 HD13 LEU 515 3HD1 LEU 515 -5.246 3.188 3.974 67 HD21 LEU 515 3HD2 LEU 515 -4.865 -0.071 2.932 68 HD22 LEU 515 1HD2 LEU 515 -4.307 1.303 1.977 69 HD23 LEU 515 2HD2 LEU 515 -5.770 1.443 2.952 70 H HIS 516 H HIS 516 -0.827 -0.105 7.113 71 HA HIS 516 HA HIS 516 -2.108 2.083 8.585 72 HB2 HIS 516 2HB HIS 516 -1.463 -0.736 9.200 73 HB3 HIS 516 1HB HIS 516 -1.267 0.403 10.528 74 HD1 HIS 516 1HD HIS 516 -3.716 2.231 9.801 75 HD2 HIS 516 2HD HIS 516 -3.790 -1.916 10.060 76 HE1 HIS 516 1HE HIS 516 -6.117 1.628 10.251 77 HE2 HIS 516 2HE HIS 516 -6.121 -0.880 10.489 78 H TYR 517 H TYR 517 0.933 1.263 7.390 79 HA TYR 517 HA TYR 517 2.396 2.347 9.652 80 HB2 TYR 517 2HB TYR 517 4.345 1.589 8.644 81 HB3 TYR 517 1HB TYR 517 3.166 0.422 8.065 82 HD1 TYR 517 1HD TYR 517 4.584 3.728 7.021 83 HD2 TYR 517 2HD TYR 517 3.272 -0.142 5.831 84 HE1 TYR 517 1HE TYR 517 5.224 4.230 4.711 85 HE2 TYR 517 2HE TYR 517 3.908 0.355 3.514 86 HH TYR 517 HH TYR 517 5.786 3.106 2.670 87 H TRP 518 H TRP 518 1.151 3.405 6.598 88 HA TRP 518 HA TRP 518 2.511 5.983 6.914 89 HB2 TRP 518 2HB TRP 518 2.650 4.468 4.734 90 HB3 TRP 518 1HB TRP 518 1.129 5.281 4.379 91 HD1 TRP 518 HD TRP 518 1.420 7.409 3.028 92 HE1 TRP 518 1HE TRP 518 3.270 9.170 2.703 93 HE3 TRP 518 3HE TRP 518 4.873 5.567 6.312 94 HZ2 TRP 518 2HZ TRP 518 5.852 9.706 3.710 95 HZ3 TRP 518 3HZ TRP 518 7.007 6.763 6.575 96 HH2 TRP 518 HH TRP 518 7.485 8.790 5.300 97 H THR 519 H THR 519 1.380 7.668 7.380 98 HA THR 519 HA THR 519 -0.841 8.126 8.532 99 HB THR 519 HB THR 519 0.309 10.027 7.789 100 HG1 THR 519 1HG THR 519 -1.328 11.312 7.100 101 HG21 THR 519 3HG2 THR 519 -0.467 10.067 4.988 102 HG22 THR 519 1HG2 THR 519 0.642 8.756 5.393 103 HG23 THR 519 2HG2 THR 519 1.083 10.428 5.747 104 H THR 520 H THR 520 -1.050 7.801 4.972 105 HA THR 520 HA THR 520 -3.276 6.124 4.972 106 HB THR 520 HB THR 520 -4.261 8.309 5.960 107 HG1 THR 520 1HG THR 520 -6.087 7.492 5.343 108 HG21 THR 520 3HG2 THR 520 -5.142 9.879 4.327 109 HG22 THR 520 1HG2 THR 520 -4.250 9.059 3.045 110 HG23 THR 520 2HG2 THR 520 -3.378 9.888 4.335 111 H GLN 521 H GLN 521 -1.911 8.926 3.264 112 HA GLN 521 HA GLN 521 -2.707 8.492 0.709 113 HB2 GLN 521 2HB GLN 521 -0.579 9.483 -0.045 114 HB3 GLN 521 1HB GLN 521 -1.313 10.377 1.279 115 HG2 GLN 521 2HG GLN 521 0.229 9.209 2.838 116 HG3 GLN 521 1HG GLN 521 1.018 8.486 1.438 117 HE21 GLN 521 1HE2 GLN 521 2.083 9.881 -0.058 118 HE22 GLN 521 2HE2 GLN 521 2.696 11.410 0.458 119 H ASP 522 H ASP 522 -1.854 7.451 -1.121 120 HA ASP 522 HA ASP 522 -1.414 4.766 -0.920 121 HB2 ASP 522 2HB ASP 522 -0.710 6.740 -3.072 122 HB3 ASP 522 1HB ASP 522 -0.333 5.030 -3.259 123 H GLU 523 H GLU 523 0.096 4.188 0.619 124 HA GLU 523 HA GLU 523 2.862 5.053 0.256 125 HB2 GLU 523 2HB GLU 523 3.280 3.948 2.389 126 HB3 GLU 523 1HB GLU 523 1.954 5.090 2.514 127 HG2 GLU 523 2HG GLU 523 1.292 2.255 1.952 128 HG3 GLU 523 1HG GLU 523 1.836 2.672 3.576 129 H GLY 524 H GLY 524 2.371 3.741 -1.858 130 HA2 GLY 524 2HA GLY 524 3.769 2.046 -2.885 131 HA3 GLY 524 1HA GLY 524 3.518 1.056 -1.450 132 H ALA 525 H ALA 525 0.755 2.729 -2.363 133 HA ALA 525 HA ALA 525 -0.718 0.398 -2.923 134 HB1 ALA 525 1HB ALA 525 -2.370 2.316 -3.792 135 HB2 ALA 525 2HB ALA 525 -1.249 3.303 -2.853 136 HB3 ALA 525 3HB ALA 525 -2.110 1.970 -2.081 137 H ALA 526 H ALA 526 1.134 -0.049 -4.688 138 HA ALA 526 HA ALA 526 1.618 -0.459 -6.858 139 HB1 ALA 526 1HB ALA 526 -0.531 -1.543 -6.877 140 HB2 ALA 526 2HB ALA 526 -0.295 -0.694 -8.405 141 HB3 ALA 526 3HB ALA 526 -1.342 -0.003 -7.166 142 H ILE 527 H ILE 527 2.913 1.380 -7.006 143 HA ILE 527 HA ILE 527 2.314 3.083 -9.152 144 HB ILE 527 HB ILE 527 0.919 4.223 -7.609 145 HG12 ILE 527 2HG1 ILE 527 3.406 5.907 -7.562 146 HG13 ILE 527 1HG1 ILE 527 2.630 5.518 -9.095 147 HG21 ILE 527 1HG2 ILE 527 2.249 3.213 -5.645 148 HG22 ILE 527 2HG2 ILE 527 1.417 4.756 -5.436 149 HG23 ILE 527 3HG2 ILE 527 3.159 4.725 -5.720 150 HD11 ILE 527 3HD1 ILE 527 2.059 7.704 -7.705 151 HD12 ILE 527 1HD1 ILE 527 0.905 6.602 -6.954 152 HD13 ILE 527 2HD1 ILE 527 0.864 6.870 -8.698 153 H GLY 528 H GLY 528 4.165 2.933 -6.120 154 HA2 GLY 528 2HA GLY 528 6.413 3.009 -5.704 155 HA3 GLY 528 1HA GLY 528 6.633 2.472 -7.357 156 H ALA 529 H ALA 529 5.124 5.087 -8.157 157 HA ALA 529 HA ALA 529 5.861 7.031 -9.110 158 HB1 ALA 529 1HB ALA 529 5.966 8.666 -7.551 159 HB2 ALA 529 2HB ALA 529 7.179 7.822 -6.587 160 HB3 ALA 529 3HB ALA 529 5.483 7.349 -6.480 161 H ALA 530 H ALA 530 7.716 4.833 -9.424 162 HA ALA 530 HA ALA 530 9.863 5.974 -10.649 163 HB1 ALA 530 1HB ALA 530 10.174 6.185 -7.804 164 HB2 ALA 530 2HB ALA 530 11.253 6.746 -9.080 165 HB3 ALA 530 3HB ALA 530 11.411 5.106 -8.449 166 H TRP 531 H TRP 531 8.368 3.865 -11.215 167 HA TRP 531 HA TRP 531 8.191 1.550 -11.334 168 HB2 TRP 531 2HB TRP 531 10.361 0.724 -12.533 169 HB3 TRP 531 1HB TRP 531 9.258 1.829 -13.348 170 HD1 TRP 531 HD TRP 531 12.214 2.470 -10.909 171 HE1 TRP 531 1HE TRP 531 13.755 4.235 -11.983 172 HE3 TRP 531 3HE TRP 531 9.714 3.157 -15.314 173 HZ2 TRP 531 2HZ TRP 531 13.888 5.719 -14.380 174 HZ3 TRP 531 3HZ TRP 531 10.613 4.766 -16.944 175 HH2 TRP 531 HH TRP 531 12.657 6.020 -16.485 176 H ILE 532 H ILE 532 8.730 2.101 -8.808 177 HA ILE 532 HA ILE 532 10.488 -0.104 -8.064 178 HB ILE 532 HB ILE 532 11.624 2.075 -7.864 179 HG12 ILE 532 2HG1 ILE 532 11.042 0.824 -5.167 180 HG13 ILE 532 1HG1 ILE 532 12.145 0.139 -6.352 181 HG21 ILE 532 1HG2 ILE 532 9.270 3.074 -7.194 182 HG22 ILE 532 2HG2 ILE 532 10.787 3.837 -6.699 183 HG23 ILE 532 3HG2 ILE 532 9.903 2.815 -5.564 184 HD11 ILE 532 3HD1 ILE 532 13.163 1.484 -4.468 185 HD12 ILE 532 1HD1 ILE 532 12.486 2.909 -5.261 186 HD13 ILE 532 2HD1 ILE 532 13.662 1.906 -6.110 187 HA PRO 533 HA PRO 533 6.373 0.590 -5.586 188 HB2 PRO 533 2HB PRO 533 4.574 -0.856 -7.056 189 HB3 PRO 533 1HB PRO 533 4.750 0.896 -7.177 190 HG2 PRO 533 2HG PRO 533 5.839 -1.240 -8.951 191 HG3 PRO 533 1HG PRO 533 5.152 0.335 -9.381 192 HD2 PRO 533 2HD PRO 533 7.809 -0.138 -9.339 193 HD3 PRO 533 1HD PRO 533 7.104 1.446 -8.957 194 H TYR 534 H TYR 534 8.012 -1.851 -7.288 195 HA TYR 534 HA TYR 534 6.993 -4.199 -6.199 196 HB2 TYR 534 2HB TYR 534 9.810 -3.553 -7.106 197 HB3 TYR 534 1HB TYR 534 9.162 -5.174 -6.873 198 HD1 TYR 534 2HD TYR 534 8.949 -2.121 -9.008 199 HD2 TYR 534 1HD TYR 534 7.781 -6.201 -8.511 200 HE1 TYR 534 2HE TYR 534 8.138 -2.177 -11.322 201 HE2 TYR 534 1HE TYR 534 6.972 -6.249 -10.830 202 HH TYR 534 HH TYR 534 6.467 -3.497 -12.663 203 H PHE 535 H PHE 535 9.883 -2.346 -5.217 204 HA PHE 535 HA PHE 535 9.459 -3.308 -2.472 205 HB2 PHE 535 2HB PHE 535 12.012 -3.329 -2.286 206 HB3 PHE 535 1HB PHE 535 11.253 -4.651 -3.168 207 HD1 PHE 535 2HD PHE 535 13.003 -1.415 -3.607 208 HD2 PHE 535 1HD PHE 535 11.825 -5.095 -5.389 209 HE1 PHE 535 2HE PHE 535 14.417 -0.917 -5.558 210 HE2 PHE 535 1HE PHE 535 13.238 -4.605 -7.344 211 HZ PHE 535 HZ PHE 535 14.535 -2.513 -7.430 212 H GLY 536 H GLY 536 9.259 -0.687 -4.239 213 HA2 GLY 536 2HA GLY 536 10.993 1.225 -3.150 214 HA3 GLY 536 1HA GLY 536 9.411 1.568 -3.840 215 HA PRO 537 HA PRO 537 8.324 2.589 0.387 216 HB2 PRO 537 2HB PRO 537 5.865 3.450 -0.024 217 HB3 PRO 537 1HB PRO 537 7.205 4.313 -0.803 218 HG2 PRO 537 2HG PRO 537 5.460 2.149 -1.947 219 HG3 PRO 537 1HG PRO 537 5.784 3.760 -2.627 220 HD2 PRO 537 2HD PRO 537 7.136 1.539 -3.386 221 HD3 PRO 537 1HD PRO 537 7.903 3.143 -3.341 222 H ALA 538 H ALA 538 8.084 -0.134 -0.805 223 HA ALA 538 HA ALA 538 5.895 -1.162 0.819 224 HB1 ALA 538 1HB ALA 538 6.902 -2.397 -1.741 225 HB2 ALA 538 2HB ALA 538 5.515 -1.307 -1.673 226 HB3 ALA 538 3HB ALA 538 5.467 -2.849 -0.815 227 H ALA 539 H ALA 539 9.167 -1.193 -0.199 228 HA ALA 539 HA ALA 539 9.841 -2.996 1.943 229 HB1 ALA 539 1HB ALA 539 11.100 -4.554 0.574 230 HB2 ALA 539 2HB ALA 539 10.589 -3.698 -0.878 231 HB3 ALA 539 3HB ALA 539 9.397 -4.533 0.117 232 H GLU 540 H GLU 540 10.451 -0.153 0.732 233 HA GLU 540 HA GLU 540 13.316 -0.203 0.405 234 HB2 GLU 540 2HB GLU 540 13.165 2.246 0.521 235 HB3 GLU 540 1HB GLU 540 12.024 1.584 -0.636 236 HG2 GLU 540 2HG GLU 540 10.326 1.706 1.290 237 HG3 GLU 540 1HG GLU 540 11.495 2.783 2.051 238 H GLY 541 H GLY 541 13.142 -1.598 2.496 239 HA2 GLY 541 2HA GLY 541 14.281 -1.593 4.583 240 HA3 GLY 541 1HA GLY 541 13.915 0.125 4.738 241 H ILE 542 H ILE 542 11.160 -0.890 3.601 242 HA ILE 542 HA ILE 542 9.744 -0.784 6.024 243 HB ILE 542 HB ILE 542 9.125 -1.002 3.168 244 HG12 ILE 542 2HG1 ILE 542 7.515 0.162 5.436 245 HG13 ILE 542 1HG1 ILE 542 8.896 0.985 4.719 246 HG21 ILE 542 1HG2 ILE 542 7.368 -2.409 5.167 247 HG22 ILE 542 2HG2 ILE 542 8.014 -3.025 3.643 248 HG23 ILE 542 3HG2 ILE 542 6.761 -1.780 3.634 249 HD11 ILE 542 3HD1 ILE 542 6.268 0.307 3.466 250 HD12 ILE 542 1HD1 ILE 542 7.686 0.722 2.505 251 HD13 ILE 542 2HD1 ILE 542 7.032 1.886 3.656 252 H TYR 543 H TYR 543 10.650 -3.461 3.887 253 HA TYR 543 HA TYR 543 9.230 -5.555 4.856 254 HB2 TYR 543 2HB TYR 543 11.132 -7.015 4.281 255 HB3 TYR 543 1HB TYR 543 10.799 -5.818 3.033 256 HD1 TYR 543 1HD TYR 543 12.232 -3.737 2.979 257 HD2 TYR 543 2HD TYR 543 13.252 -7.175 5.244 258 HE1 TYR 543 1HE TYR 543 14.573 -2.971 3.062 259 HE2 TYR 543 2HE TYR 543 15.598 -6.430 5.342 260 HH TYR 543 HH TYR 543 16.829 -3.986 3.378 261 H ALA 544 H ALA 544 11.777 -3.869 6.518 262 HA ALA 544 HA ALA 544 12.552 -5.691 8.448 263 HB1 ALA 544 1HB ALA 544 13.513 -3.431 8.111 264 HB2 ALA 544 2HB ALA 544 13.178 -3.810 9.801 265 HB3 ALA 544 3HB ALA 544 12.091 -2.753 8.901 266 H GLU 545 H GLU 545 9.497 -4.260 7.985 267 HA GLU 545 HA GLU 545 8.391 -4.106 10.512 268 HB2 GLU 545 2HB GLU 545 6.229 -4.727 9.257 269 HB3 GLU 545 1HB GLU 545 7.083 -3.285 8.730 270 HG2 GLU 545 2HG GLU 545 6.690 -4.223 6.708 271 HG3 GLU 545 1HG GLU 545 8.217 -5.017 7.075 272 H GLY 546 H GLY 546 8.656 -6.819 8.294 273 HA2 GLY 546 2HA GLY 546 8.396 -9.068 8.568 274 HA3 GLY 546 1HA GLY 546 9.161 -8.783 10.118 275 H LEU 547 H LEU 547 5.893 -8.085 8.787 276 HA LEU 547 HA LEU 547 4.634 -10.008 10.423 277 HB2 LEU 547 2HB LEU 547 3.712 -8.795 12.170 278 HB3 LEU 547 1HB LEU 547 5.370 -8.234 12.098 279 HG LEU 547 HG LEU 547 3.120 -6.719 10.794 280 HD11 LEU 547 1HD1 LEU 547 2.959 -7.170 13.369 281 HD12 LEU 547 2HD1 LEU 547 2.656 -5.561 12.711 282 HD13 LEU 547 3HD1 LEU 547 4.215 -5.934 13.446 283 HD21 LEU 547 3HD2 LEU 547 5.610 -5.519 11.887 284 HD22 LEU 547 1HD2 LEU 547 4.628 -5.027 10.506 285 HD23 LEU 547 2HD2 LEU 547 5.703 -6.419 10.374 286 H MET 548 H MET 548 4.172 -6.870 8.817 287 HA MET 548 HA MET 548 2.340 -7.818 6.950 288 HB2 MET 548 2HB MET 548 1.172 -7.254 9.551 289 HB3 MET 548 1HB MET 548 0.431 -6.292 8.279 290 HG2 MET 548 2HG MET 548 0.813 -9.205 7.827 291 HG3 MET 548 1HG MET 548 -0.477 -8.671 8.904 292 HE1 MET 548 3HE MET 548 -0.556 -9.859 5.148 293 HE2 MET 548 1HE MET 548 0.973 -9.180 5.706 294 HE3 MET 548 2HE MET 548 0.033 -8.339 4.474 295 H HIS 549 H HIS 549 3.654 -5.165 8.765 296 HA HIS 549 HA HIS 549 2.586 -2.971 7.467 297 HB2 HIS 549 2HB HIS 549 4.842 -3.515 9.167 298 HB3 HIS 549 1HB HIS 549 5.292 -2.351 7.925 299 HD1 HIS 549 1HD HIS 549 1.767 -2.205 8.957 300 HD2 HIS 549 2HD HIS 549 5.359 -0.448 10.088 301 HE1 HIS 549 1HE HIS 549 1.131 -0.225 10.356 302 HE2 HIS 549 2HE HIS 549 3.319 0.758 11.128 303 H ASN 550 H ASN 550 4.565 -5.399 6.101 304 HA ASN 550 HA ASN 550 5.828 -3.799 4.101 305 HB2 ASN 550 2HB ASN 550 6.817 -5.912 4.814 306 HB3 ASN 550 1HB ASN 550 5.394 -6.788 4.262 307 HD21 ASN 550 1HD2 ASN 550 8.215 -4.988 3.277 308 HD22 ASN 550 2HD2 ASN 550 8.249 -5.557 1.647 309 H GLN 551 H GLN 551 2.698 -4.135 4.476 310 HA GLN 551 HA GLN 551 1.542 -5.238 2.237 311 HB2 GLN 551 2HB GLN 551 -0.300 -3.609 2.618 312 HB3 GLN 551 1HB GLN 551 0.217 -4.436 4.082 313 HG2 GLN 551 2HG GLN 551 0.063 -2.292 4.842 314 HG3 GLN 551 1HG GLN 551 1.757 -2.344 4.363 315 HE21 GLN 551 1HE2 GLN 551 2.471 -0.903 2.934 316 HE22 GLN 551 2HE2 GLN 551 1.478 0.182 2.029 317 H ASP 552 H ASP 552 0.180 -3.532 0.735 318 HA ASP 552 HA ASP 552 2.163 -1.771 -0.541 319 HB2 ASP 552 2HB ASP 552 1.034 -4.150 -1.620 320 HB3 ASP 552 1HB ASP 552 0.367 -2.789 -2.517 321 H GLY 553 H GLY 553 -1.319 -2.586 -0.446 322 HA2 GLY 553 2HA GLY 553 -2.830 -0.785 0.293 323 HA3 GLY 553 1HA GLY 553 -1.846 0.316 -0.657 324 H LEU 554 H LEU 554 -3.125 -2.885 -1.513 325 HA LEU 554 HA LEU 554 -3.723 -2.520 -4.091 326 HB2 LEU 554 2HB LEU 554 -5.858 -3.984 -3.569 327 HB3 LEU 554 1HB LEU 554 -4.235 -4.640 -3.496 328 HG LEU 554 HG LEU 554 -4.774 -3.641 -0.920 329 HD11 LEU 554 1HD1 LEU 554 -6.888 -4.078 -0.361 330 HD12 LEU 554 2HD1 LEU 554 -6.917 -5.578 -1.289 331 HD13 LEU 554 3HD1 LEU 554 -7.214 -4.037 -2.093 332 HD21 LEU 554 3HD2 LEU 554 -4.630 -6.394 -2.110 333 HD22 LEU 554 1HD2 LEU 554 -4.797 -6.111 -0.377 334 HD23 LEU 554 2HD2 LEU 554 -3.378 -5.513 -1.235 335 H ILE 555 H ILE 555 -6.398 -2.158 -1.759 336 HA ILE 555 HA ILE 555 -8.253 -0.840 -1.780 337 HB ILE 555 HB ILE 555 -6.552 1.089 -3.356 338 HG12 ILE 555 2HG1 ILE 555 -5.280 0.793 -1.440 339 HG13 ILE 555 1HG1 ILE 555 -6.333 2.120 -0.968 340 HG21 ILE 555 1HG2 ILE 555 -8.235 2.535 -3.246 341 HG22 ILE 555 2HG2 ILE 555 -8.453 2.245 -1.519 342 HG23 ILE 555 3HG2 ILE 555 -9.250 1.201 -2.696 343 HD11 ILE 555 3HD1 ILE 555 -7.793 0.527 0.177 344 HD12 ILE 555 1HD1 ILE 555 -6.148 0.508 0.811 345 HD13 ILE 555 2HD1 ILE 555 -6.694 -0.775 -0.268 346 H CYS 556 H CYS 556 -9.926 -1.544 -2.932 347 HA CYS 556 HA CYS 556 -9.865 -2.285 -5.623 348 HB2 CYS 556 2HB CYS 556 -12.336 -1.396 -4.133 349 HB3 CYS 556 1HB CYS 556 -12.242 -2.528 -5.478 350 H GLY 557 H GLY 557 -10.581 0.803 -4.118 351 HA2 GLY 557 2HA GLY 557 -10.238 2.851 -5.307 352 HA3 GLY 557 1HA GLY 557 -10.618 2.001 -6.800 353 H LEU 558 H LEU 558 -12.912 0.660 -5.590 354 HA LEU 558 HA LEU 558 -14.786 2.530 -4.651 355 HB2 LEU 558 2HB LEU 558 -16.135 2.801 -6.665 356 HB3 LEU 558 1HB LEU 558 -14.526 3.457 -6.891 357 HG LEU 558 HG LEU 558 -15.236 0.695 -7.854 358 HD11 LEU 558 1HD1 LEU 558 -15.398 3.207 -9.501 359 HD12 LEU 558 2HD1 LEU 558 -16.803 2.404 -8.800 360 HD13 LEU 558 3HD1 LEU 558 -15.808 1.563 -9.989 361 HD21 LEU 558 3HD2 LEU 558 -13.404 1.726 -9.555 362 HD22 LEU 558 1HD2 LEU 558 -13.010 0.758 -8.135 363 HD23 LEU 558 2HD2 LEU 558 -12.943 2.519 -8.050 364 H ARG 559 H ARG 559 -14.236 -0.331 -6.591 365 HA ARG 559 HA ARG 559 -15.120 -2.361 -5.180 366 HB2 ARG 559 2HB ARG 559 -17.545 -2.688 -5.751 367 HB3 ARG 559 1HB ARG 559 -17.244 -1.397 -4.594 368 HG2 ARG 559 2HG ARG 559 -17.188 -0.001 -6.897 369 HG3 ARG 559 1HG ARG 559 -18.311 -1.290 -7.331 370 HD2 ARG 559 2HD ARG 559 -19.423 -0.720 -5.048 371 HD3 ARG 559 1HD ARG 559 -18.557 0.807 -5.214 372 HE ARG 559 HE ARG 559 -19.861 0.422 -7.607 373 HH11 ARG 559 1HH1 ARG 559 -20.781 0.730 -4.255 374 HH12 ARG 559 2HH1 ARG 559 -22.322 1.431 -4.613 375 HH21 ARG 559 1HH2 ARG 559 -21.889 1.344 -8.080 376 HH22 ARG 559 2HH2 ARG 559 -22.952 1.780 -6.784 377 H GLN 560 H GLN 560 -15.009 -4.195 -6.412 378 HA GLN 560 HA GLN 560 -15.613 -4.061 -9.226 379 HB2 GLN 560 2HB GLN 560 -13.235 -3.216 -8.905 380 HB3 GLN 560 1HB GLN 560 -12.822 -4.853 -8.406 381 HG2 GLN 560 2HG GLN 560 -14.066 -5.383 -10.717 382 HG3 GLN 560 1HG GLN 560 -13.432 -3.778 -11.076 383 HE21 GLN 560 1HE2 GLN 560 -11.164 -3.446 -10.962 384 HE22 GLN 560 2HE2 GLN 560 -10.066 -4.766 -11.153 Start of MODEL 12 1 H1 ALA 507 1HT ALA 507 -18.641 6.369 1.378 2 H2 ALA 507 2HT ALA 507 -17.650 5.069 1.900 3 H3 ALA 507 3HT ALA 507 -18.891 4.795 0.746 4 HA ALA 507 HA ALA 507 -17.767 6.253 -0.790 5 HB1 ALA 507 2HB ALA 507 -16.498 7.253 1.355 6 HB2 ALA 507 3HB ALA 507 -15.890 7.399 -0.293 7 HB3 ALA 507 1HB ALA 507 -15.267 6.136 0.768 8 H GLN 508 H GLN 508 -15.633 4.191 1.189 9 HA GLN 508 HA GLN 508 -15.037 2.593 -1.174 10 HB2 GLN 508 2HB GLN 508 -13.258 1.610 0.164 11 HB3 GLN 508 1HB GLN 508 -13.183 3.365 0.252 12 HG2 GLN 508 2HG GLN 508 -14.814 2.377 2.381 13 HG3 GLN 508 1HG GLN 508 -13.273 1.520 2.368 14 HE21 GLN 508 1HE2 GLN 508 -11.440 2.569 2.956 15 HE22 GLN 508 2HE2 GLN 508 -11.405 4.195 3.538 16 HA PRO 509 HA PRO 509 -17.472 -0.809 0.312 17 HB2 PRO 509 2HB PRO 509 -16.563 -2.730 -1.333 18 HB3 PRO 509 1HB PRO 509 -17.462 -1.337 -1.939 19 HG2 PRO 509 2HG PRO 509 -14.605 -1.976 -2.208 20 HG3 PRO 509 1HG PRO 509 -15.608 -0.884 -3.175 21 HD2 PRO 509 2HD PRO 509 -13.810 -0.241 -0.996 22 HD3 PRO 509 1HD PRO 509 -14.706 0.866 -2.054 23 H LYS 510 H LYS 510 -14.708 -0.335 1.599 24 HA LYS 510 HA LYS 510 -13.347 -1.344 3.109 25 HB2 LYS 510 2HB LYS 510 -15.885 -2.913 3.307 26 HB3 LYS 510 1HB LYS 510 -14.476 -3.421 4.228 27 HG2 LYS 510 2HG LYS 510 -14.385 -1.136 5.216 28 HG3 LYS 510 1HG LYS 510 -15.911 -0.784 4.403 29 HD2 LYS 510 2HD LYS 510 -16.845 -1.532 6.306 30 HD3 LYS 510 1HD LYS 510 -16.493 -3.131 5.650 31 HE2 LYS 510 2HE LYS 510 -15.637 -3.186 7.828 32 HE3 LYS 510 1HE LYS 510 -14.228 -2.916 6.804 33 HZ1 LYS 510 3HZ LYS 510 -13.952 -0.820 7.578 34 HZ2 LYS 510 1HZ LYS 510 -14.709 -1.471 8.945 35 HZ3 LYS 510 2HZ LYS 510 -15.602 -0.557 7.837 36 H CYS 511 H CYS 511 -12.001 -1.878 1.178 37 HA CYS 511 HA CYS 511 -11.516 -4.757 1.134 38 HB2 CYS 511 2HB CYS 511 -11.204 -4.684 -1.354 39 HB3 CYS 511 1HB CYS 511 -12.871 -4.479 -0.827 40 H ASN 512 H ASN 512 -10.193 -2.458 2.342 41 HA ASN 512 HA ASN 512 -7.799 -2.004 0.790 42 HB2 ASN 512 2HB ASN 512 -8.197 -1.255 3.681 43 HB3 ASN 512 1HB ASN 512 -7.139 -0.499 2.495 44 HD21 ASN 512 1HD2 ASN 512 -7.863 1.506 2.299 45 HD22 ASN 512 2HD2 ASN 512 -9.496 1.958 1.962 46 HA PRO 513 HA PRO 513 -5.492 -5.370 2.439 47 HB2 PRO 513 2HB PRO 513 -2.961 -4.475 2.106 48 HB3 PRO 513 1HB PRO 513 -3.985 -4.975 0.755 49 HG2 PRO 513 2HG PRO 513 -3.345 -2.224 1.732 50 HG3 PRO 513 1HG PRO 513 -3.493 -2.819 0.075 51 HD2 PRO 513 2HD PRO 513 -5.452 -1.427 1.378 52 HD3 PRO 513 1HD PRO 513 -5.765 -2.568 0.056 53 H ASN 514 H ASN 514 -3.210 -2.876 3.373 54 HA ASN 514 HA ASN 514 -3.819 -3.327 6.215 55 HB2 ASN 514 2HB ASN 514 -1.339 -3.835 4.710 56 HB3 ASN 514 1HB ASN 514 -1.122 -2.945 6.213 57 HD21 ASN 514 1HD2 ASN 514 -2.588 -5.860 4.862 58 HD22 ASN 514 2HD2 ASN 514 -2.405 -6.828 6.281 59 H LEU 515 H LEU 515 -1.524 -1.518 4.255 60 HA LEU 515 HA LEU 515 -0.674 0.589 4.512 61 HB2 LEU 515 2HB LEU 515 -2.233 2.194 3.701 62 HB3 LEU 515 1HB LEU 515 -2.541 0.651 2.922 63 HG LEU 515 HG LEU 515 -4.239 0.605 5.092 64 HD11 LEU 515 1HD1 LEU 515 -5.064 3.145 3.955 65 HD12 LEU 515 2HD1 LEU 515 -3.540 3.263 4.836 66 HD13 LEU 515 3HD1 LEU 515 -4.977 2.635 5.641 67 HD21 LEU 515 3HD2 LEU 515 -4.572 1.188 2.182 68 HD22 LEU 515 1HD2 LEU 515 -5.966 1.213 3.262 69 HD23 LEU 515 2HD2 LEU 515 -5.008 -0.258 3.093 70 H HIS 516 H HIS 516 -0.770 -0.419 7.007 71 HA HIS 516 HA HIS 516 -2.121 1.525 8.711 72 HB2 HIS 516 2HB HIS 516 -0.700 -1.073 9.254 73 HB3 HIS 516 1HB HIS 516 -1.158 0.023 10.553 74 HD1 HIS 516 1HD HIS 516 -3.933 0.760 8.994 75 HD2 HIS 516 2HD HIS 516 -2.557 -2.984 10.158 76 HE1 HIS 516 1HE HIS 516 -5.984 -0.684 9.171 77 HE2 HIS 516 2HE HIS 516 -5.136 -2.919 9.967 78 H TYR 517 H TYR 517 0.872 1.232 7.194 79 HA TYR 517 HA TYR 517 2.290 2.585 9.366 80 HB2 TYR 517 2HB TYR 517 4.296 1.966 8.372 81 HB3 TYR 517 1HB TYR 517 3.253 0.614 7.958 82 HD1 TYR 517 2HD TYR 517 4.212 3.940 6.521 83 HD2 TYR 517 1HD TYR 517 3.417 -0.179 5.797 84 HE1 TYR 517 2HE TYR 517 4.735 4.264 4.153 85 HE2 TYR 517 1HE TYR 517 3.949 0.134 3.423 86 HH TYR 517 HH TYR 517 5.521 2.854 2.232 87 H TRP 518 H TRP 518 0.830 3.200 6.294 88 HA TRP 518 HA TRP 518 1.909 5.929 6.314 89 HB2 TRP 518 2HB TRP 518 2.284 4.332 4.292 90 HB3 TRP 518 1HB TRP 518 0.601 4.686 3.920 91 HD1 TRP 518 HD TRP 518 0.160 6.822 2.556 92 HE1 TRP 518 1HE TRP 518 1.568 8.849 1.827 93 HE3 TRP 518 3HE TRP 518 4.406 5.868 5.237 94 HZ2 TRP 518 2HZ TRP 518 4.138 9.905 2.324 95 HZ3 TRP 518 3HZ TRP 518 6.294 7.436 5.055 96 HH2 TRP 518 HH TRP 518 6.161 9.413 3.627 97 H THR 519 H THR 519 0.570 7.480 6.755 98 HA THR 519 HA THR 519 -1.741 7.679 7.849 99 HB THR 519 HB THR 519 -0.774 9.690 7.148 100 HG1 THR 519 1HG THR 519 -3.153 9.610 7.072 101 HG21 THR 519 3HG2 THR 519 -1.378 9.639 4.308 102 HG22 THR 519 1HG2 THR 519 -0.178 8.437 4.788 103 HG23 THR 519 2HG2 THR 519 0.086 10.145 5.154 104 H THR 520 H THR 520 -1.746 7.328 4.285 105 HA THR 520 HA THR 520 -3.793 5.427 4.197 106 HB THR 520 HB THR 520 -5.033 7.528 5.071 107 HG1 THR 520 1HG THR 520 -6.763 6.606 4.301 108 HG21 THR 520 3HG2 THR 520 -4.865 8.242 2.150 109 HG22 THR 520 1HG2 THR 520 -4.188 9.165 3.492 110 HG23 THR 520 2HG2 THR 520 -5.935 8.988 3.338 111 H GLN 521 H GLN 521 -2.520 8.293 2.551 112 HA GLN 521 HA GLN 521 -3.096 7.848 -0.049 113 HB2 GLN 521 2HB GLN 521 -1.307 9.456 1.307 114 HB3 GLN 521 1HB GLN 521 -0.270 8.505 0.251 115 HG2 GLN 521 2HG GLN 521 -1.788 9.168 -1.644 116 HG3 GLN 521 1HG GLN 521 -2.538 10.310 -0.529 117 HE21 GLN 521 1HE2 GLN 521 -1.763 12.286 -0.610 118 HE22 GLN 521 2HE2 GLN 521 -0.170 12.741 -1.099 119 H ASP 522 H ASP 522 -2.025 6.881 -1.829 120 HA ASP 522 HA ASP 522 -1.509 4.200 -1.620 121 HB2 ASP 522 2HB ASP 522 -0.598 6.194 -3.692 122 HB3 ASP 522 1HB ASP 522 -0.348 4.460 -3.867 123 H GLU 523 H GLU 523 -0.113 3.681 0.032 124 HA GLU 523 HA GLU 523 2.630 4.663 -0.071 125 HB2 GLU 523 2HB GLU 523 2.909 3.648 2.087 126 HB3 GLU 523 1HB GLU 523 1.423 4.578 2.079 127 HG2 GLU 523 2HG GLU 523 1.396 1.629 1.575 128 HG3 GLU 523 1HG GLU 523 1.428 2.278 3.213 129 H GLY 524 H GLY 524 2.272 3.351 -2.243 130 HA2 GLY 524 2HA GLY 524 3.863 1.760 -3.194 131 HA3 GLY 524 1HA GLY 524 3.525 0.714 -1.818 132 H ALA 525 H ALA 525 0.768 2.296 -2.856 133 HA ALA 525 HA ALA 525 -0.518 -0.079 -3.687 134 HB1 ALA 525 1HB ALA 525 -2.431 1.387 -4.155 135 HB2 ALA 525 2HB ALA 525 -1.392 2.798 -3.940 136 HB3 ALA 525 3HB ALA 525 -1.714 1.724 -2.578 137 H ALA 526 H ALA 526 1.473 -0.234 -5.355 138 HA ALA 526 HA ALA 526 2.107 -0.424 -7.516 139 HB1 ALA 526 1HB ALA 526 -0.870 -0.233 -7.807 140 HB2 ALA 526 2HB ALA 526 0.171 -1.650 -7.955 141 HB3 ALA 526 3HB ALA 526 0.185 -0.411 -9.210 142 H ILE 527 H ILE 527 3.317 1.466 -7.441 143 HA ILE 527 HA ILE 527 2.759 3.330 -9.454 144 HB ILE 527 HB ILE 527 1.210 4.255 -7.909 145 HG12 ILE 527 2HG1 ILE 527 3.613 6.039 -7.609 146 HG13 ILE 527 1HG1 ILE 527 2.882 5.769 -9.189 147 HG21 ILE 527 1HG2 ILE 527 2.476 3.157 -5.957 148 HG22 ILE 527 2HG2 ILE 527 1.560 4.640 -5.674 149 HG23 ILE 527 3HG2 ILE 527 3.315 4.707 -5.859 150 HD11 ILE 527 3HD1 ILE 527 0.705 6.422 -7.735 151 HD12 ILE 527 1HD1 ILE 527 1.676 7.575 -8.651 152 HD13 ILE 527 2HD1 ILE 527 1.948 7.371 -6.920 153 H GLY 528 H GLY 528 4.420 3.015 -6.324 154 HA2 GLY 528 2HA GLY 528 6.629 3.176 -5.749 155 HA3 GLY 528 1HA GLY 528 6.982 2.769 -7.414 156 H ALA 529 H ALA 529 5.394 5.358 -8.138 157 HA ALA 529 HA ALA 529 6.075 7.401 -8.897 158 HB1 ALA 529 1HB ALA 529 6.060 8.932 -7.217 159 HB2 ALA 529 2HB ALA 529 7.197 8.021 -6.223 160 HB3 ALA 529 3HB ALA 529 5.505 7.527 -6.306 161 H ALA 530 H ALA 530 8.052 5.334 -9.283 162 HA ALA 530 HA ALA 530 10.198 6.651 -10.299 163 HB1 ALA 530 1HB ALA 530 10.358 6.655 -7.421 164 HB2 ALA 530 2HB ALA 530 11.427 7.418 -8.597 165 HB3 ALA 530 3HB ALA 530 11.705 5.747 -8.105 166 H TRP 531 H TRP 531 8.860 4.506 -11.079 167 HA TRP 531 HA TRP 531 8.819 2.197 -11.347 168 HB2 TRP 531 2HB TRP 531 11.102 1.562 -12.453 169 HB3 TRP 531 1HB TRP 531 9.986 2.650 -13.271 170 HD1 TRP 531 HD TRP 531 12.756 3.298 -10.628 171 HE1 TRP 531 1HE TRP 531 14.248 5.208 -11.498 172 HE3 TRP 531 3HE TRP 531 10.466 4.132 -15.120 173 HZ2 TRP 531 2HZ TRP 531 14.429 6.851 -13.789 174 HZ3 TRP 531 3HZ TRP 531 11.360 5.890 -16.592 175 HH2 TRP 531 HH TRP 531 13.299 7.220 -15.940 176 H ILE 532 H ILE 532 9.172 2.621 -8.766 177 HA ILE 532 HA ILE 532 11.004 0.472 -8.040 178 HB ILE 532 HB ILE 532 12.002 2.690 -7.639 179 HG12 ILE 532 2HG1 ILE 532 11.324 1.277 -5.050 180 HG13 ILE 532 1HG1 ILE 532 12.508 0.682 -6.201 181 HG21 ILE 532 1HG2 ILE 532 10.989 4.335 -6.448 182 HG22 ILE 532 2HG2 ILE 532 10.110 3.206 -5.417 183 HG23 ILE 532 3HG2 ILE 532 9.550 3.515 -7.065 184 HD11 ILE 532 3HD1 ILE 532 13.390 1.965 -4.216 185 HD12 ILE 532 1HD1 ILE 532 12.694 3.406 -4.964 186 HD13 ILE 532 2HD1 ILE 532 13.946 2.494 -5.807 187 HA PRO 533 HA PRO 533 6.706 0.794 -5.796 188 HB2 PRO 533 2HB PRO 533 5.095 -0.663 -7.462 189 HB3 PRO 533 1HB PRO 533 5.169 1.100 -7.473 190 HG2 PRO 533 2HG PRO 533 6.501 -0.858 -9.286 191 HG3 PRO 533 1HG PRO 533 5.743 0.695 -9.673 192 HD2 PRO 533 2HD PRO 533 8.415 0.387 -9.484 193 HD3 PRO 533 1HD PRO 533 7.587 1.898 -9.051 194 H TYR 534 H TYR 534 8.575 -1.453 -7.538 195 HA TYR 534 HA TYR 534 7.652 -3.916 -6.682 196 HB2 TYR 534 2HB TYR 534 10.487 -3.016 -7.255 197 HB3 TYR 534 1HB TYR 534 9.955 -4.692 -7.168 198 HD1 TYR 534 2HD TYR 534 9.691 -1.546 -9.163 199 HD2 TYR 534 1HD TYR 534 8.838 -5.730 -8.986 200 HE1 TYR 534 2HE TYR 534 9.117 -1.537 -11.547 201 HE2 TYR 534 1HE TYR 534 8.266 -5.712 -11.374 202 HH TYR 534 HH TYR 534 8.956 -3.055 -13.415 203 H PHE 535 H PHE 535 10.343 -2.015 -5.305 204 HA PHE 535 HA PHE 535 9.665 -3.125 -2.671 205 HB2 PHE 535 2HB PHE 535 12.379 -2.965 -3.956 206 HB3 PHE 535 1HB PHE 535 12.180 -3.111 -2.214 207 HD1 PHE 535 1HD PHE 535 10.977 -4.745 -5.347 208 HD2 PHE 535 2HD PHE 535 12.238 -5.215 -1.310 209 HE1 PHE 535 1HE PHE 535 10.792 -7.188 -5.579 210 HE2 PHE 535 2HE PHE 535 12.057 -7.660 -1.534 211 HZ PHE 535 HZ PHE 535 11.334 -8.648 -3.671 212 H GLY 536 H GLY 536 9.635 -0.417 -4.356 213 HA2 GLY 536 2HA GLY 536 11.171 1.484 -3.016 214 HA3 GLY 536 1HA GLY 536 9.642 1.815 -3.821 215 HA PRO 537 HA PRO 537 8.142 2.599 0.325 216 HB2 PRO 537 2HB PRO 537 5.647 3.253 -0.251 217 HB3 PRO 537 1HB PRO 537 6.959 4.254 -0.904 218 HG2 PRO 537 2HG PRO 537 5.507 1.981 -2.233 219 HG3 PRO 537 1HG PRO 537 5.730 3.636 -2.844 220 HD2 PRO 537 2HD PRO 537 7.333 1.579 -3.561 221 HD3 PRO 537 1HD PRO 537 7.950 3.240 -3.398 222 H ALA 538 H ALA 538 8.222 -0.095 -0.967 223 HA ALA 538 HA ALA 538 6.016 -1.367 0.450 224 HB1 ALA 538 1HB ALA 538 7.353 -2.428 -2.036 225 HB2 ALA 538 2HB ALA 538 5.885 -1.449 -2.077 226 HB3 ALA 538 3HB ALA 538 5.877 -3.015 -1.266 227 H ALA 539 H ALA 539 9.357 -1.104 -0.320 228 HA ALA 539 HA ALA 539 10.010 -2.896 1.842 229 HB1 ALA 539 1HB ALA 539 11.750 -4.005 0.222 230 HB2 ALA 539 2HB ALA 539 10.551 -3.559 -0.990 231 HB3 ALA 539 3HB ALA 539 10.097 -4.607 0.353 232 H GLU 540 H GLU 540 10.477 0.020 0.718 233 HA GLU 540 HA GLU 540 13.348 0.221 0.632 234 HB2 GLU 540 2HB GLU 540 12.977 2.640 0.772 235 HB3 GLU 540 1HB GLU 540 11.970 1.913 -0.469 236 HG2 GLU 540 2HG GLU 540 10.226 2.914 0.449 237 HG3 GLU 540 1HG GLU 540 10.427 1.865 1.851 238 H GLY 541 H GLY 541 13.176 -1.230 2.674 239 HA2 GLY 541 2HA GLY 541 14.122 -1.194 4.846 240 HA3 GLY 541 1HA GLY 541 13.634 0.494 4.996 241 H ILE 542 H ILE 542 11.058 -0.728 3.628 242 HA ILE 542 HA ILE 542 9.449 -0.746 5.939 243 HB ILE 542 HB ILE 542 9.084 -0.949 3.039 244 HG12 ILE 542 2HG1 ILE 542 7.207 0.071 5.162 245 HG13 ILE 542 1HG1 ILE 542 8.601 0.989 4.605 246 HG21 ILE 542 1HG2 ILE 542 6.759 -1.889 3.278 247 HG22 ILE 542 2HG2 ILE 542 7.247 -2.477 4.867 248 HG23 ILE 542 3HG2 ILE 542 8.081 -3.050 3.419 249 HD11 ILE 542 3HD1 ILE 542 6.146 0.212 3.092 250 HD12 ILE 542 1HD1 ILE 542 7.631 0.686 2.269 251 HD13 ILE 542 2HD1 ILE 542 6.828 1.816 3.359 252 H TYR 543 H TYR 543 10.603 -3.319 3.775 253 HA TYR 543 HA TYR 543 9.265 -5.502 4.670 254 HB2 TYR 543 2HB TYR 543 11.167 -6.864 4.015 255 HB3 TYR 543 1HB TYR 543 10.925 -5.556 2.860 256 HD1 TYR 543 1HD TYR 543 12.370 -3.481 3.120 257 HD2 TYR 543 2HD TYR 543 13.233 -7.161 5.043 258 HE1 TYR 543 1HE TYR 543 14.709 -2.764 3.412 259 HE2 TYR 543 2HE TYR 543 15.577 -6.468 5.347 260 HH TYR 543 HH TYR 543 17.090 -4.364 3.764 261 H ALA 544 H ALA 544 11.701 -3.731 6.403 262 HA ALA 544 HA ALA 544 12.528 -5.566 8.310 263 HB1 ALA 544 1HB ALA 544 11.966 -2.648 8.786 264 HB2 ALA 544 2HB ALA 544 13.427 -3.278 8.023 265 HB3 ALA 544 3HB ALA 544 13.064 -3.679 9.703 266 H GLU 545 H GLU 545 9.434 -4.247 7.821 267 HA GLU 545 HA GLU 545 8.278 -4.145 10.327 268 HB2 GLU 545 2HB GLU 545 6.167 -4.838 9.031 269 HB3 GLU 545 1HB GLU 545 6.986 -3.373 8.508 270 HG2 GLU 545 2HG GLU 545 6.704 -4.318 6.482 271 HG3 GLU 545 1HG GLU 545 8.211 -5.123 6.910 272 H GLY 546 H GLY 546 8.685 -6.833 8.105 273 HA2 GLY 546 2HA GLY 546 8.512 -9.090 8.359 274 HA3 GLY 546 1HA GLY 546 9.229 -8.790 9.930 275 H LEU 547 H LEU 547 6.030 -7.573 9.088 276 HA LEU 547 HA LEU 547 4.781 -9.780 10.513 277 HB2 LEU 547 2HB LEU 547 3.815 -8.565 12.224 278 HB3 LEU 547 1HB LEU 547 5.441 -7.922 12.140 279 HG LEU 547 HG LEU 547 3.125 -6.559 10.786 280 HD11 LEU 547 1HD1 LEU 547 4.105 -5.510 13.358 281 HD12 LEU 547 2HD1 LEU 547 3.117 -6.969 13.441 282 HD13 LEU 547 3HD1 LEU 547 2.479 -5.514 12.675 283 HD21 LEU 547 3HD2 LEU 547 5.491 -5.153 11.872 284 HD22 LEU 547 1HD2 LEU 547 4.554 -4.839 10.410 285 HD23 LEU 547 2HD2 LEU 547 5.730 -6.152 10.438 286 H MET 548 H MET 548 4.242 -6.708 8.806 287 HA MET 548 HA MET 548 2.455 -7.786 6.957 288 HB2 MET 548 2HB MET 548 1.259 -7.188 9.517 289 HB3 MET 548 1HB MET 548 0.532 -6.210 8.251 290 HG2 MET 548 2HG MET 548 0.321 -8.413 6.955 291 HG3 MET 548 1HG MET 548 0.616 -9.186 8.509 292 HE1 MET 548 3HE MET 548 -2.134 -10.267 7.698 293 HE2 MET 548 1HE MET 548 -2.918 -9.852 9.222 294 HE3 MET 548 2HE MET 548 -1.224 -10.341 9.206 295 H HIS 549 H HIS 549 3.779 -5.044 8.598 296 HA HIS 549 HA HIS 549 2.632 -2.936 7.204 297 HB2 HIS 549 2HB HIS 549 4.962 -3.350 8.882 298 HB3 HIS 549 1HB HIS 549 5.266 -2.149 7.632 299 HD1 HIS 549 1HD HIS 549 1.769 -2.144 8.603 300 HD2 HIS 549 2HD HIS 549 5.274 -0.408 10.008 301 HE1 HIS 549 1HE HIS 549 1.035 -0.270 10.095 302 HE2 HIS 549 2HE HIS 549 3.169 0.820 10.875 303 H ASN 550 H ASN 550 4.594 -5.393 5.911 304 HA ASN 550 HA ASN 550 5.841 -3.825 3.860 305 HB2 ASN 550 2HB ASN 550 6.888 -5.884 4.679 306 HB3 ASN 550 1HB ASN 550 5.514 -6.822 4.099 307 HD21 ASN 550 1HD2 ASN 550 5.404 -7.384 1.990 308 HD22 ASN 550 2HD2 ASN 550 6.632 -7.025 0.828 309 H GLN 551 H GLN 551 2.733 -4.231 4.240 310 HA GLN 551 HA GLN 551 1.631 -5.472 2.037 311 HB2 GLN 551 2HB GLN 551 -0.297 -3.989 2.378 312 HB3 GLN 551 1HB GLN 551 0.316 -4.612 3.905 313 HG2 GLN 551 2HG GLN 551 0.060 -2.440 4.485 314 HG3 GLN 551 1HG GLN 551 1.702 -2.365 3.851 315 HE21 GLN 551 1HE2 GLN 551 2.115 -1.233 2.011 316 HE22 GLN 551 2HE2 GLN 551 0.937 -0.269 1.194 317 H ASP 552 H ASP 552 0.191 -3.808 0.512 318 HA ASP 552 HA ASP 552 2.175 -2.142 -0.894 319 HB2 ASP 552 2HB ASP 552 0.234 -4.165 -1.950 320 HB3 ASP 552 1HB ASP 552 0.686 -2.792 -2.957 321 H GLY 553 H GLY 553 -1.348 -2.722 -0.657 322 HA2 GLY 553 2HA GLY 553 -2.722 -0.865 0.187 323 HA3 GLY 553 1HA GLY 553 -1.695 0.211 -0.745 324 H LEU 554 H LEU 554 -3.191 -2.864 -1.703 325 HA LEU 554 HA LEU 554 -3.844 -2.314 -4.243 326 HB2 LEU 554 2HB LEU 554 -6.040 -3.709 -3.702 327 HB3 LEU 554 1HB LEU 554 -4.451 -4.438 -3.798 328 HG LEU 554 HG LEU 554 -4.819 -3.597 -1.113 329 HD11 LEU 554 1HD1 LEU 554 -7.309 -3.939 -2.185 330 HD12 LEU 554 2HD1 LEU 554 -6.895 -4.118 -0.481 331 HD13 LEU 554 3HD1 LEU 554 -6.956 -5.537 -1.527 332 HD21 LEU 554 3HD2 LEU 554 -3.420 -5.417 -1.594 333 HD22 LEU 554 1HD2 LEU 554 -4.674 -6.243 -2.519 334 HD23 LEU 554 2HD2 LEU 554 -4.811 -6.116 -0.765 335 H ILE 555 H ILE 555 -6.505 -2.087 -1.892 336 HA ILE 555 HA ILE 555 -8.297 -0.688 -1.762 337 HB ILE 555 HB ILE 555 -6.553 1.340 -3.152 338 HG12 ILE 555 2HG1 ILE 555 -5.236 0.708 -1.329 339 HG13 ILE 555 1HG1 ILE 555 -6.143 2.085 -0.714 340 HG21 ILE 555 1HG2 ILE 555 -8.131 2.860 -2.724 341 HG22 ILE 555 2HG2 ILE 555 -8.395 2.250 -1.090 342 HG23 ILE 555 3HG2 ILE 555 -9.204 1.486 -2.458 343 HD11 ILE 555 3HD1 ILE 555 -6.119 0.393 0.954 344 HD12 ILE 555 1HD1 ILE 555 -6.669 -0.819 -0.201 345 HD13 ILE 555 2HD1 ILE 555 -7.749 0.482 0.288 346 H CYS 556 H CYS 556 -9.991 -1.188 -2.980 347 HA CYS 556 HA CYS 556 -9.949 -1.650 -5.733 348 HB2 CYS 556 2HB CYS 556 -12.368 -0.834 -4.117 349 HB3 CYS 556 1HB CYS 556 -12.352 -1.767 -5.611 350 H GLY 557 H GLY 557 -10.534 1.291 -3.914 351 HA2 GLY 557 2HA GLY 557 -10.089 3.432 -4.896 352 HA3 GLY 557 1HA GLY 557 -10.538 2.762 -6.459 353 H LEU 558 H LEU 558 -12.874 1.418 -5.290 354 HA LEU 558 HA LEU 558 -14.632 3.293 -4.154 355 HB2 LEU 558 2HB LEU 558 -16.008 3.808 -6.089 356 HB3 LEU 558 1HB LEU 558 -14.366 4.372 -6.335 357 HG LEU 558 HG LEU 558 -15.241 1.722 -7.453 358 HD11 LEU 558 1HD1 LEU 558 -16.757 3.731 -8.102 359 HD12 LEU 558 2HD1 LEU 558 -16.141 2.655 -9.356 360 HD13 LEU 558 3HD1 LEU 558 -15.374 4.220 -9.081 361 HD21 LEU 558 3HD2 LEU 558 -13.507 2.984 -9.184 362 HD22 LEU 558 1HD2 LEU 558 -13.088 1.732 -8.014 363 HD23 LEU 558 2HD2 LEU 558 -12.898 3.435 -7.592 364 H ARG 559 H ARG 559 -14.251 0.572 -6.314 365 HA ARG 559 HA ARG 559 -15.218 -1.512 -5.028 366 HB2 ARG 559 2HB ARG 559 -17.654 -1.684 -5.628 367 HB3 ARG 559 1HB ARG 559 -17.301 -0.490 -4.386 368 HG2 ARG 559 2HG ARG 559 -17.154 1.041 -6.605 369 HG3 ARG 559 1HG ARG 559 -18.356 -0.150 -7.104 370 HD2 ARG 559 2HD ARG 559 -19.614 0.332 -5.014 371 HD3 ARG 559 1HD ARG 559 -18.456 1.614 -4.660 372 HE ARG 559 HE ARG 559 -19.369 2.199 -7.162 373 HH11 ARG 559 1HH1 ARG 559 -20.882 1.659 -4.064 374 HH12 ARG 559 2HH1 ARG 559 -22.217 2.712 -4.392 375 HH21 ARG 559 1HH2 ARG 559 -21.123 3.585 -7.595 376 HH22 ARG 559 2HH2 ARG 559 -22.354 3.806 -6.397 377 H GLN 560 H GLN 560 -15.181 -3.261 -6.385 378 HA GLN 560 HA GLN 560 -15.775 -2.911 -9.182 379 HB2 GLN 560 2HB GLN 560 -13.538 -3.707 -9.929 380 HB3 GLN 560 1HB GLN 560 -13.502 -2.120 -9.168 381 HG2 GLN 560 2HG GLN 560 -11.818 -2.922 -7.960 382 HG3 GLN 560 1HG GLN 560 -13.050 -3.797 -7.053 383 HE21 GLN 560 1HE2 GLN 560 -10.155 -4.250 -8.138 384 HE22 GLN 560 2HE2 GLN 560 -10.222 -5.882 -8.698 Start of MODEL 13 1 H1 ALA 507 1HT ALA 507 -19.515 4.673 -1.424 2 H2 ALA 507 2HT ALA 507 -18.949 6.287 -1.283 3 H3 ALA 507 3HT ALA 507 -18.030 4.994 -0.630 4 HA ALA 507 HA ALA 507 -18.688 5.142 -3.477 5 HB1 ALA 507 2HB ALA 507 -17.511 7.237 -2.543 6 HB2 ALA 507 3HB ALA 507 -16.817 6.436 -3.952 7 HB3 ALA 507 1HB ALA 507 -16.111 6.181 -2.356 8 H GLN 508 H GLN 508 -16.194 4.338 -1.052 9 HA GLN 508 HA GLN 508 -15.262 2.137 -2.689 10 HB2 GLN 508 2HB GLN 508 -14.363 3.313 -0.068 11 HB3 GLN 508 1HB GLN 508 -13.694 1.807 -0.679 12 HG2 GLN 508 2HG GLN 508 -13.438 3.427 -2.845 13 HG3 GLN 508 1HG GLN 508 -13.207 4.565 -1.519 14 HE21 GLN 508 1HE2 GLN 508 -11.244 4.718 -0.701 15 HE22 GLN 508 2HE2 GLN 508 -9.973 3.564 -0.888 16 HA PRO 509 HA PRO 509 -17.581 -0.861 -0.355 17 HB2 PRO 509 2HB PRO 509 -16.761 -3.045 -1.646 18 HB3 PRO 509 1HB PRO 509 -17.687 -1.793 -2.483 19 HG2 PRO 509 2HG PRO 509 -14.812 -2.459 -2.684 20 HG3 PRO 509 1HG PRO 509 -15.874 -1.692 -3.873 21 HD2 PRO 509 2HD PRO 509 -14.043 -0.433 -2.042 22 HD3 PRO 509 1HD PRO 509 -15.087 0.338 -3.253 23 H LYS 510 H LYS 510 -14.822 -0.017 0.663 24 HA LYS 510 HA LYS 510 -13.362 -0.645 2.285 25 HB2 LYS 510 2HB LYS 510 -15.566 -2.644 2.724 26 HB3 LYS 510 1HB LYS 510 -14.132 -2.599 3.737 27 HG2 LYS 510 2HG LYS 510 -15.313 0.022 3.466 28 HG3 LYS 510 1HG LYS 510 -16.471 -1.153 4.090 29 HD2 LYS 510 2HD LYS 510 -15.389 -1.361 6.054 30 HD3 LYS 510 1HD LYS 510 -13.796 -1.304 5.294 31 HE2 LYS 510 2HE LYS 510 -15.302 1.219 5.233 32 HE3 LYS 510 1HE LYS 510 -14.838 0.667 6.841 33 HZ1 LYS 510 3HZ LYS 510 -12.559 0.309 5.520 34 HZ2 LYS 510 1HZ LYS 510 -12.945 1.740 6.334 35 HZ3 LYS 510 2HZ LYS 510 -13.179 1.629 4.663 36 H CYS 511 H CYS 511 -12.279 -1.261 0.079 37 HA CYS 511 HA CYS 511 -11.469 -4.089 0.241 38 HB2 CYS 511 2HB CYS 511 -12.743 -3.488 -1.819 39 HB3 CYS 511 1HB CYS 511 -11.474 -2.337 -2.221 40 H ASN 512 H ASN 512 -10.293 -1.967 1.748 41 HA ASN 512 HA ASN 512 -7.709 -1.575 0.413 42 HB2 ASN 512 2HB ASN 512 -8.413 -0.283 3.021 43 HB3 ASN 512 1HB ASN 512 -7.341 0.290 1.749 44 HD21 ASN 512 1HD2 ASN 512 -10.707 -0.220 2.617 45 HD22 ASN 512 2HD2 ASN 512 -11.354 0.990 1.568 46 HA PRO 513 HA PRO 513 -5.874 -4.534 3.114 47 HB2 PRO 513 2HB PRO 513 -3.275 -3.949 2.811 48 HB3 PRO 513 1HB PRO 513 -4.239 -4.616 1.487 49 HG2 PRO 513 2HG PRO 513 -3.429 -1.778 1.992 50 HG3 PRO 513 1HG PRO 513 -3.447 -2.682 0.472 51 HD2 PRO 513 2HD PRO 513 -5.416 -0.936 1.247 52 HD3 PRO 513 1HD PRO 513 -5.671 -2.285 0.122 53 H ASN 514 H ASN 514 -3.304 -2.286 3.731 54 HA ASN 514 HA ASN 514 -4.361 -1.698 6.409 55 HB2 ASN 514 2HB ASN 514 -1.888 -3.124 5.636 56 HB3 ASN 514 1HB ASN 514 -1.715 -1.912 6.899 57 HD21 ASN 514 1HD2 ASN 514 -3.861 -4.583 5.981 58 HD22 ASN 514 2HD2 ASN 514 -4.066 -5.197 7.583 59 H LEU 515 H LEU 515 -1.346 -1.089 4.683 60 HA LEU 515 HA LEU 515 -0.066 0.810 4.588 61 HB2 LEU 515 2HB LEU 515 -0.968 2.349 2.996 62 HB3 LEU 515 1HB LEU 515 -1.425 0.712 2.563 63 HG LEU 515 HG LEU 515 -3.569 1.578 4.067 64 HD11 LEU 515 1HD1 LEU 515 -2.220 3.896 3.373 65 HD12 LEU 515 2HD1 LEU 515 -3.904 3.769 3.882 66 HD13 LEU 515 3HD1 LEU 515 -3.499 3.759 2.166 67 HD21 LEU 515 3HD2 LEU 515 -4.704 1.730 1.843 68 HD22 LEU 515 1HD2 LEU 515 -3.799 0.241 2.112 69 HD23 LEU 515 2HD2 LEU 515 -3.123 1.511 1.093 70 H HIS 516 H HIS 516 -0.881 0.712 7.125 71 HA HIS 516 HA HIS 516 -1.881 3.398 7.761 72 HB2 HIS 516 2HB HIS 516 -2.038 0.766 9.119 73 HB3 HIS 516 1HB HIS 516 -1.870 2.179 10.157 74 HD1 HIS 516 1HD HIS 516 -3.651 4.129 8.497 75 HD2 HIS 516 2HD HIS 516 -4.692 0.242 9.537 76 HE1 HIS 516 1HE HIS 516 -6.164 4.064 8.427 77 HE2 HIS 516 2HE HIS 516 -6.773 1.730 9.157 78 H TYR 517 H TYR 517 1.017 1.716 7.507 79 HA TYR 517 HA TYR 517 2.369 2.711 9.797 80 HB2 TYR 517 2HB TYR 517 4.336 1.814 8.884 81 HB3 TYR 517 1HB TYR 517 3.074 0.764 8.258 82 HD1 TYR 517 2HD TYR 517 4.854 3.910 7.259 83 HD2 TYR 517 1HD TYR 517 3.240 0.166 6.029 84 HE1 TYR 517 2HE TYR 517 5.643 4.327 4.979 85 HE2 TYR 517 1HE TYR 517 4.030 0.577 3.745 86 HH TYR 517 HH TYR 517 4.642 2.480 2.316 87 H TRP 518 H TRP 518 1.541 4.083 6.742 88 HA TRP 518 HA TRP 518 3.260 6.392 7.247 89 HB2 TRP 518 2HB TRP 518 3.212 5.001 4.993 90 HB3 TRP 518 1HB TRP 518 1.826 6.037 4.662 91 HD1 TRP 518 HD TRP 518 2.421 8.192 3.461 92 HE1 TRP 518 1HE TRP 518 4.513 9.675 3.228 93 HE3 TRP 518 3HE TRP 518 5.557 5.653 6.589 94 HZ2 TRP 518 2HZ TRP 518 7.148 9.754 4.242 95 HZ3 TRP 518 3HZ TRP 518 7.847 6.496 6.906 96 HH2 TRP 518 HH TRP 518 8.625 8.504 5.755 97 H THR 519 H THR 519 2.449 8.278 7.617 98 HA THR 519 HA THR 519 0.367 9.098 8.838 99 HB THR 519 HB THR 519 1.796 10.774 8.026 100 HG1 THR 519 1HG THR 519 0.348 12.297 7.186 101 HG21 THR 519 3HG2 THR 519 2.530 11.041 5.945 102 HG22 THR 519 1HG2 THR 519 0.912 10.913 5.256 103 HG23 THR 519 2HG2 THR 519 1.826 9.453 5.640 104 H THR 520 H THR 520 0.007 8.721 5.295 105 HA THR 520 HA THR 520 -2.470 7.451 5.408 106 HB THR 520 HB THR 520 -3.041 9.803 6.339 107 HG1 THR 520 1HG THR 520 -5.063 9.646 5.403 108 HG21 THR 520 3HG2 THR 520 -3.694 11.447 4.679 109 HG22 THR 520 1HG2 THR 520 -3.013 10.443 3.398 110 HG23 THR 520 2HG2 THR 520 -1.957 11.150 4.621 111 H GLN 521 H GLN 521 -0.738 9.943 3.544 112 HA GLN 521 HA GLN 521 -1.691 9.520 1.038 113 HB2 GLN 521 2HB GLN 521 0.525 10.169 0.167 114 HB3 GLN 521 1HB GLN 521 -0.036 11.219 1.461 115 HG2 GLN 521 2HG GLN 521 1.415 10.062 3.039 116 HG3 GLN 521 1HG GLN 521 1.959 8.986 1.753 117 HE21 GLN 521 1HE2 GLN 521 2.766 11.635 3.483 118 HE22 GLN 521 2HE2 GLN 521 3.853 12.396 2.376 119 H ASP 522 H ASP 522 -1.090 8.286 -0.760 120 HA ASP 522 HA ASP 522 -0.979 5.571 -0.411 121 HB2 ASP 522 2HB ASP 522 -0.203 7.312 -2.737 122 HB3 ASP 522 1HB ASP 522 -0.099 5.556 -2.833 123 H GLU 523 H GLU 523 0.576 4.901 1.042 124 HA GLU 523 HA GLU 523 3.383 5.429 0.463 125 HB2 GLU 523 2HB GLU 523 3.818 4.283 2.575 126 HB3 GLU 523 1HB GLU 523 2.640 5.569 2.778 127 HG2 GLU 523 2HG GLU 523 1.602 2.848 2.260 128 HG3 GLU 523 1HG GLU 523 2.328 3.155 3.837 129 H GLY 524 H GLY 524 2.527 4.135 -1.592 130 HA2 GLY 524 2HA GLY 524 3.710 2.293 -2.673 131 HA3 GLY 524 1HA GLY 524 3.424 1.350 -1.216 132 H ALA 525 H ALA 525 0.786 3.263 -1.897 133 HA ALA 525 HA ALA 525 -0.911 1.085 -2.448 134 HB1 ALA 525 1HB ALA 525 -2.441 3.192 -3.118 135 HB2 ALA 525 2HB ALA 525 -1.192 4.009 -2.178 136 HB3 ALA 525 3HB ALA 525 -2.132 2.704 -1.451 137 H ALA 526 H ALA 526 0.757 0.570 -4.351 138 HA ALA 526 HA ALA 526 1.062 0.224 -6.563 139 HB1 ALA 526 1HB ALA 526 -1.835 1.027 -6.744 140 HB2 ALA 526 2HB ALA 526 -1.232 -0.599 -6.423 141 HB3 ALA 526 3HB ALA 526 -0.917 0.168 -7.980 142 H ILE 527 H ILE 527 2.519 1.957 -6.660 143 HA ILE 527 HA ILE 527 1.985 3.802 -8.707 144 HB ILE 527 HB ILE 527 0.764 4.983 -7.052 145 HG12 ILE 527 2HG1 ILE 527 3.395 6.436 -7.064 146 HG13 ILE 527 1HG1 ILE 527 2.500 6.203 -8.563 147 HG21 ILE 527 1HG2 ILE 527 2.078 3.772 -5.200 148 HG22 ILE 527 2HG2 ILE 527 1.406 5.374 -4.885 149 HG23 ILE 527 3HG2 ILE 527 3.123 5.193 -5.256 150 HD11 ILE 527 3HD1 ILE 527 1.962 7.983 -6.290 151 HD12 ILE 527 1HD1 ILE 527 0.552 7.195 -6.998 152 HD13 ILE 527 2HD1 ILE 527 1.608 8.184 -8.007 153 H GLY 528 H GLY 528 3.947 3.375 -5.770 154 HA2 GLY 528 2HA GLY 528 6.212 3.251 -5.455 155 HA3 GLY 528 1HA GLY 528 6.312 2.752 -7.131 156 H ALA 529 H ALA 529 4.993 5.500 -7.795 157 HA ALA 529 HA ALA 529 5.844 7.406 -8.730 158 HB1 ALA 529 1HB ALA 529 5.588 7.675 -6.081 159 HB2 ALA 529 2HB ALA 529 6.135 8.981 -7.133 160 HB3 ALA 529 3HB ALA 529 7.312 8.018 -6.239 161 H ALA 530 H ALA 530 7.491 5.109 -9.238 162 HA ALA 530 HA ALA 530 9.669 6.088 -10.507 163 HB1 ALA 530 1HB ALA 530 10.132 6.130 -7.640 164 HB2 ALA 530 2HB ALA 530 11.102 6.815 -8.944 165 HB3 ALA 530 3HB ALA 530 11.318 5.127 -8.477 166 H TRP 531 H TRP 531 8.037 4.115 -11.070 167 HA TRP 531 HA TRP 531 7.671 1.827 -11.234 168 HB2 TRP 531 2HB TRP 531 9.807 0.854 -12.414 169 HB3 TRP 531 1HB TRP 531 8.757 2.003 -13.236 170 HD1 TRP 531 HD TRP 531 11.777 2.428 -10.851 171 HE1 TRP 531 1HE TRP 531 13.394 4.136 -11.905 172 HE3 TRP 531 3HE TRP 531 9.210 3.411 -15.153 173 HZ2 TRP 531 2HZ TRP 531 13.552 5.693 -14.258 174 HZ3 TRP 531 3HZ TRP 531 10.158 5.020 -16.754 175 HH2 TRP 531 HH TRP 531 12.284 6.138 -16.314 176 H ILE 532 H ILE 532 8.239 2.318 -8.700 177 HA ILE 532 HA ILE 532 9.853 0.005 -7.954 178 HB ILE 532 HB ILE 532 11.136 2.054 -7.684 179 HG12 ILE 532 2HG1 ILE 532 10.849 1.771 -4.873 180 HG13 ILE 532 1HG1 ILE 532 10.512 0.190 -5.570 181 HG21 ILE 532 1HG2 ILE 532 10.299 3.958 -6.866 182 HG22 ILE 532 2HG2 ILE 532 9.534 3.147 -5.499 183 HG23 ILE 532 3HG2 ILE 532 8.724 3.185 -7.068 184 HD11 ILE 532 3HD1 ILE 532 12.658 0.129 -6.607 185 HD12 ILE 532 1HD1 ILE 532 12.872 0.553 -4.906 186 HD13 ILE 532 2HD1 ILE 532 12.981 1.801 -6.151 187 HA PRO 533 HA PRO 533 5.737 0.849 -5.540 188 HB2 PRO 533 2HB PRO 533 3.838 -0.340 -7.080 189 HB3 PRO 533 1HB PRO 533 4.215 1.381 -7.185 190 HG2 PRO 533 2HG PRO 533 5.139 -0.861 -8.931 191 HG3 PRO 533 1HG PRO 533 4.576 0.756 -9.390 192 HD2 PRO 533 2HD PRO 533 7.191 0.111 -9.290 193 HD3 PRO 533 1HD PRO 533 6.588 1.737 -8.903 194 H TYR 534 H TYR 534 7.212 -1.652 -7.314 195 HA TYR 534 HA TYR 534 5.941 -3.934 -6.328 196 HB2 TYR 534 2HB TYR 534 8.812 -3.544 -7.209 197 HB3 TYR 534 1HB TYR 534 8.008 -5.100 -7.022 198 HD1 TYR 534 2HD TYR 534 8.075 -1.973 -9.048 199 HD2 TYR 534 1HD TYR 534 6.570 -5.952 -8.703 200 HE1 TYR 534 2HE TYR 534 7.276 -1.875 -11.366 201 HE2 TYR 534 1HE TYR 534 5.772 -5.851 -11.024 202 HH TYR 534 HH TYR 534 5.188 -3.338 -12.664 203 H PHE 535 H PHE 535 9.061 -2.525 -5.309 204 HA PHE 535 HA PHE 535 8.479 -3.444 -2.580 205 HB2 PHE 535 2HB PHE 535 11.229 -3.566 -3.800 206 HB3 PHE 535 1HB PHE 535 10.700 -4.251 -2.270 207 HD1 PHE 535 2HD PHE 535 9.078 -6.175 -2.303 208 HD2 PHE 535 1HD PHE 535 11.082 -4.790 -5.793 209 HE1 PHE 535 2HE PHE 535 8.595 -8.310 -3.423 210 HE2 PHE 535 1HE PHE 535 10.601 -6.923 -6.921 211 HZ PHE 535 HZ PHE 535 9.357 -8.687 -5.736 212 H GLY 536 H GLY 536 8.691 -0.791 -4.290 213 HA2 GLY 536 2HA GLY 536 10.716 0.803 -3.205 214 HA3 GLY 536 1HA GLY 536 9.185 1.407 -3.827 215 HA PRO 537 HA PRO 537 8.385 2.455 0.456 216 HB2 PRO 537 2HB PRO 537 6.008 3.573 0.169 217 HB3 PRO 537 1HB PRO 537 7.398 4.315 -0.645 218 HG2 PRO 537 2HG PRO 537 5.401 2.368 -1.763 219 HG3 PRO 537 1HG PRO 537 5.855 3.957 -2.419 220 HD2 PRO 537 2HD PRO 537 6.946 1.645 -3.294 221 HD3 PRO 537 1HD PRO 537 7.882 3.156 -3.221 222 H ALA 538 H ALA 538 7.828 -0.192 -0.773 223 HA ALA 538 HA ALA 538 5.606 -1.050 0.904 224 HB1 ALA 538 1HB ALA 538 4.953 -2.623 -0.761 225 HB2 ALA 538 2HB ALA 538 6.408 -2.316 -1.713 226 HB3 ALA 538 3HB ALA 538 5.155 -1.079 -1.590 227 H ALA 539 H ALA 539 8.818 -1.386 -0.266 228 HA ALA 539 HA ALA 539 9.427 -3.263 1.828 229 HB1 ALA 539 1HB ALA 539 10.694 -4.601 -0.150 230 HB2 ALA 539 2HB ALA 539 9.211 -4.100 -0.959 231 HB3 ALA 539 3HB ALA 539 9.126 -5.045 0.526 232 H GLU 540 H GLU 540 10.251 -0.501 0.609 233 HA GLU 540 HA GLU 540 13.063 -0.832 0.057 234 HB2 GLU 540 2HB GLU 540 13.168 1.611 0.200 235 HB3 GLU 540 1HB GLU 540 11.859 1.093 -0.850 236 HG2 GLU 540 2HG GLU 540 10.301 1.421 1.080 237 HG3 GLU 540 1HG GLU 540 11.646 2.137 1.960 238 H GLY 541 H GLY 541 12.752 -2.232 2.195 239 HA2 GLY 541 2HA GLY 541 14.104 -2.365 4.175 240 HA3 GLY 541 1HA GLY 541 13.873 -0.629 4.388 241 H ILE 542 H ILE 542 10.989 -1.224 3.458 242 HA ILE 542 HA ILE 542 9.745 -1.146 5.950 243 HB ILE 542 HB ILE 542 8.891 -1.293 3.139 244 HG12 ILE 542 2HG1 ILE 542 7.507 0.010 5.471 245 HG13 ILE 542 1HG1 ILE 542 8.978 0.685 4.777 246 HG21 ILE 542 1HG2 ILE 542 7.593 -3.160 3.647 247 HG22 ILE 542 2HG2 ILE 542 6.486 -1.806 3.905 248 HG23 ILE 542 3HG2 ILE 542 7.244 -2.598 5.285 249 HD11 ILE 542 3HD1 ILE 542 7.245 1.829 3.730 250 HD12 ILE 542 1HD1 ILE 542 6.291 0.363 3.509 251 HD13 ILE 542 2HD1 ILE 542 7.749 0.618 2.552 252 H TYR 543 H TYR 543 10.163 -3.830 3.659 253 HA TYR 543 HA TYR 543 8.723 -5.829 4.765 254 HB2 TYR 543 2HB TYR 543 10.353 -7.421 3.888 255 HB3 TYR 543 1HB TYR 543 10.069 -6.110 2.745 256 HD1 TYR 543 2HD TYR 543 11.741 -4.165 2.786 257 HD2 TYR 543 1HD TYR 543 12.518 -7.958 4.519 258 HE1 TYR 543 2HE TYR 543 14.158 -3.700 2.690 259 HE2 TYR 543 1HE TYR 543 14.939 -7.516 4.435 260 HH TYR 543 HH TYR 543 16.271 -4.652 4.151 261 H ALA 544 H ALA 544 11.608 -4.419 6.106 262 HA ALA 544 HA ALA 544 12.430 -6.361 7.905 263 HB1 ALA 544 1HB ALA 544 12.385 -3.384 8.345 264 HB2 ALA 544 2HB ALA 544 13.637 -4.271 7.476 265 HB3 ALA 544 3HB ALA 544 13.393 -4.550 9.201 266 H GLU 545 H GLU 545 9.518 -4.601 7.859 267 HA GLU 545 HA GLU 545 8.798 -4.348 10.513 268 HB2 GLU 545 2HB GLU 545 6.426 -4.706 9.578 269 HB3 GLU 545 1HB GLU 545 7.358 -3.368 8.921 270 HG2 GLU 545 2HG GLU 545 6.538 -4.262 7.000 271 HG3 GLU 545 1HG GLU 545 8.045 -5.161 7.126 272 H GLY 546 H GLY 546 8.484 -7.065 8.308 273 HA2 GLY 546 2HA GLY 546 8.032 -9.274 8.635 274 HA3 GLY 546 1HA GLY 546 9.009 -9.074 10.074 275 H LEU 547 H LEU 547 5.681 -8.056 9.155 276 HA LEU 547 HA LEU 547 4.466 -9.854 10.964 277 HB2 LEU 547 2HB LEU 547 3.892 -8.558 12.794 278 HB3 LEU 547 1HB LEU 547 5.566 -8.140 12.499 279 HG LEU 547 HG LEU 547 3.301 -6.447 11.470 280 HD11 LEU 547 1HD1 LEU 547 3.062 -5.362 13.430 281 HD12 LEU 547 2HD1 LEU 547 4.747 -5.600 13.893 282 HD13 LEU 547 3HD1 LEU 547 3.583 -6.909 14.098 283 HD21 LEU 547 3HD2 LEU 547 5.970 -5.411 12.233 284 HD22 LEU 547 1HD2 LEU 547 4.890 -4.916 10.929 285 HD23 LEU 547 2HD2 LEU 547 5.859 -6.380 10.763 286 H MET 548 H MET 548 4.098 -6.708 9.356 287 HA MET 548 HA MET 548 1.947 -7.510 7.774 288 HB2 MET 548 2HB MET 548 1.210 -6.746 10.479 289 HB3 MET 548 1HB MET 548 0.409 -5.743 9.275 290 HG2 MET 548 2HG MET 548 -0.805 -7.470 8.434 291 HG3 MET 548 1HG MET 548 0.414 -8.674 8.847 292 HE1 MET 548 3HE MET 548 -2.799 -9.110 9.324 293 HE2 MET 548 1HE MET 548 -2.651 -9.984 10.849 294 HE3 MET 548 2HE MET 548 -1.500 -10.281 9.547 295 H HIS 549 H HIS 549 3.761 -4.965 9.287 296 HA HIS 549 HA HIS 549 2.756 -2.723 7.995 297 HB2 HIS 549 2HB HIS 549 5.087 -3.395 9.535 298 HB3 HIS 549 1HB HIS 549 5.543 -2.350 8.192 299 HD1 HIS 549 1HD HIS 549 2.159 -1.914 9.640 300 HD2 HIS 549 2HD HIS 549 5.937 -0.234 10.047 301 HE1 HIS 549 1HE HIS 549 1.807 0.224 10.900 302 HE2 HIS 549 2HE HIS 549 4.119 1.175 11.231 303 H ASN 550 H ASN 550 4.283 -5.391 6.547 304 HA ASN 550 HA ASN 550 5.653 -4.075 4.442 305 HB2 ASN 550 2HB ASN 550 5.828 -6.246 3.409 306 HB3 ASN 550 1HB ASN 550 6.077 -6.431 5.141 307 HD21 ASN 550 1HD2 ASN 550 4.424 -7.373 6.400 308 HD22 ASN 550 2HD2 ASN 550 3.217 -8.376 5.681 309 H GLN 551 H GLN 551 2.501 -3.850 5.056 310 HA GLN 551 HA GLN 551 0.983 -4.563 2.920 311 HB2 GLN 551 2HB GLN 551 -0.332 -2.458 3.396 312 HB3 GLN 551 1HB GLN 551 -0.041 -3.505 4.780 313 HG2 GLN 551 2HG GLN 551 2.124 -1.794 4.789 314 HG3 GLN 551 1HG GLN 551 0.775 -0.766 4.316 315 HE21 GLN 551 1HE2 GLN 551 0.971 -3.547 6.499 316 HE22 GLN 551 2HE2 GLN 551 0.370 -2.718 7.891 317 H ASP 552 H ASP 552 -0.013 -2.909 1.309 318 HA ASP 552 HA ASP 552 2.049 -1.231 0.072 319 HB2 ASP 552 2HB ASP 552 0.387 -3.077 -1.630 320 HB3 ASP 552 1HB ASP 552 1.858 -2.210 -2.061 321 H GLY 553 H GLY 553 -1.353 -2.296 -0.100 322 HA2 GLY 553 2HA GLY 553 -3.044 -0.540 0.263 323 HA3 GLY 553 1HA GLY 553 -2.047 0.509 -0.730 324 H LEU 554 H LEU 554 -3.002 -2.861 -1.269 325 HA LEU 554 HA LEU 554 -3.367 -2.900 -3.910 326 HB2 LEU 554 2HB LEU 554 -5.437 -4.438 -3.395 327 HB3 LEU 554 1HB LEU 554 -3.801 -4.943 -3.023 328 HG LEU 554 HG LEU 554 -4.643 -3.648 -0.707 329 HD11 LEU 554 1HD1 LEU 554 -6.768 -5.502 -0.710 330 HD12 LEU 554 2HD1 LEU 554 -6.957 -4.494 -2.143 331 HD13 LEU 554 3HD1 LEU 554 -6.848 -3.748 -0.548 332 HD21 LEU 554 3HD2 LEU 554 -4.963 -6.190 -0.024 333 HD22 LEU 554 1HD2 LEU 554 -3.372 -5.496 -0.335 334 HD23 LEU 554 2HD2 LEU 554 -4.180 -6.441 -1.584 335 H ILE 555 H ILE 555 -6.210 -2.283 -1.836 336 HA ILE 555 HA ILE 555 -8.134 -1.138 -2.203 337 HB ILE 555 HB ILE 555 -6.120 0.561 -3.626 338 HG12 ILE 555 2HG1 ILE 555 -6.504 2.084 -1.821 339 HG13 ILE 555 1HG1 ILE 555 -7.935 1.205 -1.301 340 HG21 ILE 555 1HG2 ILE 555 -8.000 0.972 -4.987 341 HG22 ILE 555 2HG2 ILE 555 -7.954 2.300 -3.828 342 HG23 ILE 555 3HG2 ILE 555 -9.096 0.974 -3.606 343 HD11 ILE 555 3HD1 ILE 555 -6.457 -0.704 -0.715 344 HD12 ILE 555 1HD1 ILE 555 -6.163 0.756 0.224 345 HD13 ILE 555 2HD1 ILE 555 -5.074 0.319 -1.089 346 H CYS 556 H CYS 556 -9.794 -1.832 -3.341 347 HA CYS 556 HA CYS 556 -9.555 -3.178 -5.798 348 HB2 CYS 556 2HB CYS 556 -11.826 -2.231 -4.118 349 HB3 CYS 556 1HB CYS 556 -12.170 -2.688 -5.782 350 H GLY 557 H GLY 557 -10.269 0.161 -5.011 351 HA2 GLY 557 2HA GLY 557 -9.778 1.913 -6.567 352 HA3 GLY 557 1HA GLY 557 -10.102 0.784 -7.879 353 H LEU 558 H LEU 558 -12.504 -0.228 -6.561 354 HA LEU 558 HA LEU 558 -14.365 1.839 -6.153 355 HB2 LEU 558 2HB LEU 558 -15.595 1.684 -8.257 356 HB3 LEU 558 1HB LEU 558 -13.959 2.259 -8.516 357 HG LEU 558 HG LEU 558 -14.689 -0.636 -8.919 358 HD11 LEU 558 1HD1 LEU 558 -16.060 1.059 -10.307 359 HD12 LEU 558 2HD1 LEU 558 -15.261 -0.280 -11.132 360 HD13 LEU 558 3HD1 LEU 558 -14.544 1.331 -11.166 361 HD21 LEU 558 3HD2 LEU 558 -12.715 -0.046 -10.657 362 HD22 LEU 558 1HD2 LEU 558 -12.444 -0.666 -9.028 363 HD23 LEU 558 2HD2 LEU 558 -12.328 1.068 -9.346 364 H ARG 559 H ARG 559 -13.807 -1.379 -7.414 365 HA ARG 559 HA ARG 559 -14.849 -3.027 -5.634 366 HB2 ARG 559 2HB ARG 559 -17.228 -3.444 -6.328 367 HB3 ARG 559 1HB ARG 559 -16.985 -1.925 -5.477 368 HG2 ARG 559 2HG ARG 559 -16.655 -1.350 -8.199 369 HG3 ARG 559 1HG ARG 559 -18.062 -2.405 -8.086 370 HD2 ARG 559 2HD ARG 559 -18.537 -0.714 -6.028 371 HD3 ARG 559 1HD ARG 559 -17.676 0.355 -7.136 372 HE ARG 559 HE ARG 559 -19.809 -1.161 -8.349 373 HH11 ARG 559 1HH1 ARG 559 -18.945 1.793 -6.699 374 HH12 ARG 559 2HH1 ARG 559 -20.292 2.681 -7.324 375 HH21 ARG 559 1HH2 ARG 559 -21.580 0.008 -9.170 376 HH22 ARG 559 2HH2 ARG 559 -21.789 1.669 -8.725 377 H GLN 560 H GLN 560 -14.657 -5.084 -6.410 378 HA GLN 560 HA GLN 560 -15.040 -5.587 -9.222 379 HB2 GLN 560 2HB GLN 560 -12.664 -4.698 -8.856 380 HB3 GLN 560 1HB GLN 560 -12.344 -6.229 -8.047 381 HG2 GLN 560 2HG GLN 560 -13.234 -7.309 -10.195 382 HG3 GLN 560 1HG GLN 560 -12.998 -5.719 -10.918 383 HE21 GLN 560 1HE2 GLN 560 -11.500 -8.585 -9.778 384 HE22 GLN 560 2HE2 GLN 560 -9.877 -8.176 -10.206 Start of MODEL 14 1 H1 ALA 507 1HT ALA 507 -18.054 6.899 0.512 2 H2 ALA 507 2HT ALA 507 -16.698 6.602 -0.498 3 H3 ALA 507 3HT ALA 507 -16.715 6.014 1.115 4 HA ALA 507 HA ALA 507 -18.501 4.562 0.617 5 HB1 ALA 507 2HB ALA 507 -19.576 4.454 -1.433 6 HB2 ALA 507 3HB ALA 507 -18.271 5.288 -2.277 7 HB3 ALA 507 1HB ALA 507 -19.349 6.189 -1.209 8 H GLN 508 H GLN 508 -17.219 2.877 1.056 9 HA GLN 508 HA GLN 508 -15.379 1.985 -1.052 10 HB2 GLN 508 2HB GLN 508 -13.812 1.221 0.750 11 HB3 GLN 508 1HB GLN 508 -13.950 2.967 0.594 12 HG2 GLN 508 2HG GLN 508 -15.844 2.497 2.451 13 HG3 GLN 508 1HG GLN 508 -14.712 1.195 2.810 14 HE21 GLN 508 1HE2 GLN 508 -15.524 4.013 3.920 15 HE22 GLN 508 2HE2 GLN 508 -13.996 4.684 4.362 16 HA PRO 509 HA PRO 509 -17.381 -1.893 -0.139 17 HB2 PRO 509 2HB PRO 509 -16.293 -3.323 -2.108 18 HB3 PRO 509 1HB PRO 509 -17.360 -1.960 -2.466 19 HG2 PRO 509 2HG PRO 509 -14.424 -2.176 -2.750 20 HG3 PRO 509 1HG PRO 509 -15.565 -1.145 -3.625 21 HD2 PRO 509 2HD PRO 509 -13.915 -0.463 -1.366 22 HD3 PRO 509 1HD PRO 509 -15.042 0.581 -2.256 23 H LYS 510 H LYS 510 -14.754 -1.176 1.251 24 HA LYS 510 HA LYS 510 -13.227 -2.185 2.593 25 HB2 LYS 510 2HB LYS 510 -15.140 -4.468 2.154 26 HB3 LYS 510 1HB LYS 510 -13.739 -4.600 3.205 27 HG2 LYS 510 2HG LYS 510 -14.732 -2.449 4.308 28 HG3 LYS 510 1HG LYS 510 -16.229 -3.009 3.556 29 HD2 LYS 510 2HD LYS 510 -14.502 -4.742 5.316 30 HD3 LYS 510 1HD LYS 510 -15.855 -3.784 5.921 31 HE2 LYS 510 2HE LYS 510 -16.166 -5.757 3.677 32 HE3 LYS 510 1HE LYS 510 -16.307 -6.232 5.368 33 HZ1 LYS 510 3HZ LYS 510 -17.878 -3.934 4.488 34 HZ2 LYS 510 1HZ LYS 510 -18.263 -5.143 5.607 35 HZ3 LYS 510 2HZ LYS 510 -18.378 -5.458 3.950 36 H CYS 511 H CYS 511 -12.263 -1.834 0.168 37 HA CYS 511 HA CYS 511 -10.982 -4.384 -0.565 38 HB2 CYS 511 2HB CYS 511 -12.437 -3.339 -2.319 39 HB3 CYS 511 1HB CYS 511 -11.351 -1.954 -2.325 40 H ASN 512 H ASN 512 -10.108 -2.634 1.551 41 HA ASN 512 HA ASN 512 -7.575 -1.644 0.424 42 HB2 ASN 512 2HB ASN 512 -7.451 -0.151 2.388 43 HB3 ASN 512 1HB ASN 512 -8.899 0.143 1.430 44 HD21 ASN 512 1HD2 ASN 512 -10.847 -0.051 2.358 45 HD22 ASN 512 2HD2 ASN 512 -11.112 -0.549 3.991 46 HA PRO 513 HA PRO 513 -5.709 -4.748 2.971 47 HB2 PRO 513 2HB PRO 513 -3.156 -4.333 2.389 48 HB3 PRO 513 1HB PRO 513 -4.287 -4.815 1.120 49 HG2 PRO 513 2HG PRO 513 -3.225 -2.095 1.774 50 HG3 PRO 513 1HG PRO 513 -3.420 -2.865 0.192 51 HD2 PRO 513 2HD PRO 513 -5.212 -1.088 1.324 52 HD3 PRO 513 1HD PRO 513 -5.612 -2.243 0.042 53 H ASN 514 H ASN 514 -3.106 -4.344 4.071 54 HA ASN 514 HA ASN 514 -3.615 -3.526 6.645 55 HB2 ASN 514 2HB ASN 514 -1.201 -3.985 5.010 56 HB3 ASN 514 1HB ASN 514 -0.968 -3.015 6.458 57 HD21 ASN 514 1HD2 ASN 514 -1.175 -6.116 5.218 58 HD22 ASN 514 2HD2 ASN 514 -1.303 -6.986 6.705 59 H LEU 515 H LEU 515 -1.435 -1.730 4.538 60 HA LEU 515 HA LEU 515 -0.724 0.441 4.658 61 HB2 LEU 515 2HB LEU 515 -2.381 1.935 3.794 62 HB3 LEU 515 1HB LEU 515 -2.574 0.357 3.055 63 HG LEU 515 HG LEU 515 -4.308 0.223 5.174 64 HD11 LEU 515 1HD1 LEU 515 -3.761 2.948 4.865 65 HD12 LEU 515 2HD1 LEU 515 -5.069 2.213 5.791 66 HD13 LEU 515 3HD1 LEU 515 -5.335 2.686 4.112 67 HD21 LEU 515 3HD2 LEU 515 -4.529 0.684 2.262 68 HD22 LEU 515 1HD2 LEU 515 -5.984 0.907 3.233 69 HD23 LEU 515 2HD2 LEU 515 -5.140 -0.642 3.253 70 H HIS 516 H HIS 516 -0.717 -0.419 7.189 71 HA HIS 516 HA HIS 516 -2.126 1.616 8.765 72 HB2 HIS 516 2HB HIS 516 -0.918 -1.043 9.499 73 HB3 HIS 516 1HB HIS 516 -1.414 0.132 10.713 74 HD1 HIS 516 1HD HIS 516 -3.977 0.900 8.758 75 HD2 HIS 516 2HD HIS 516 -2.979 -2.754 10.465 76 HE1 HIS 516 1HE HIS 516 -6.124 -0.403 8.855 77 HE2 HIS 516 2HE HIS 516 -5.511 -2.583 9.962 78 H TYR 517 H TYR 517 0.933 1.083 7.443 79 HA TYR 517 HA TYR 517 2.344 2.280 9.690 80 HB2 TYR 517 2HB TYR 517 4.340 1.674 8.667 81 HB3 TYR 517 1HB TYR 517 3.253 0.396 8.143 82 HD1 TYR 517 1HD TYR 517 4.327 3.789 6.965 83 HD2 TYR 517 2HD TYR 517 3.431 -0.243 5.936 84 HE1 TYR 517 1HE TYR 517 4.892 4.267 4.634 85 HE2 TYR 517 2HE TYR 517 3.997 0.225 3.598 86 HH TYR 517 HH TYR 517 5.678 2.943 2.621 87 H TRP 518 H TRP 518 0.959 3.217 6.664 88 HA TRP 518 HA TRP 518 2.151 5.883 6.930 89 HB2 TRP 518 2HB TRP 518 2.443 4.450 4.768 90 HB3 TRP 518 1HB TRP 518 0.783 4.932 4.439 91 HD1 TRP 518 HD TRP 518 0.472 7.193 3.259 92 HE1 TRP 518 1HE TRP 518 1.988 9.201 2.721 93 HE3 TRP 518 3HE TRP 518 4.637 5.788 5.867 94 HZ2 TRP 518 2HZ TRP 518 4.604 10.075 3.321 95 HZ3 TRP 518 3HZ TRP 518 6.605 7.266 5.834 96 HH2 TRP 518 HH TRP 518 6.587 9.364 4.585 97 H THR 519 H THR 519 0.884 7.452 7.502 98 HA THR 519 HA THR 519 -1.404 7.667 8.634 99 HB THR 519 HB THR 519 -0.357 9.683 8.068 100 HG1 THR 519 1HG THR 519 -2.711 9.734 6.494 101 HG21 THR 519 3HG2 THR 519 -1.016 9.865 5.243 102 HG22 THR 519 1HG2 THR 519 0.153 8.596 5.614 103 HG23 THR 519 2HG2 THR 519 0.477 10.263 6.094 104 H THR 520 H THR 520 -1.462 7.572 5.055 105 HA THR 520 HA THR 520 -3.605 5.782 4.877 106 HB THR 520 HB THR 520 -4.728 7.883 5.880 107 HG1 THR 520 1HG THR 520 -5.726 6.713 3.499 108 HG21 THR 520 3HG2 THR 520 -5.547 9.500 4.242 109 HG22 THR 520 1HG2 THR 520 -4.506 8.779 3.013 110 HG23 THR 520 2HG2 THR 520 -3.794 9.575 4.418 111 H GLN 521 H GLN 521 -2.154 8.647 3.395 112 HA GLN 521 HA GLN 521 -2.769 8.413 0.777 113 HB2 GLN 521 2HB GLN 521 -0.876 9.806 2.199 114 HB3 GLN 521 1HB GLN 521 0.108 8.813 1.132 115 HG2 GLN 521 2HG GLN 521 -0.272 10.203 -0.536 116 HG3 GLN 521 1HG GLN 521 -2.004 9.905 -0.406 117 HE21 GLN 521 1HE2 GLN 521 -2.754 11.923 -0.751 118 HE22 GLN 521 2HE2 GLN 521 -2.414 13.278 0.266 119 H ASP 522 H ASP 522 -1.805 7.467 -1.066 120 HA ASP 522 HA ASP 522 -1.474 4.739 -0.989 121 HB2 ASP 522 2HB ASP 522 -0.612 6.798 -3.009 122 HB3 ASP 522 1HB ASP 522 -0.351 5.077 -3.278 123 H GLU 523 H GLU 523 -0.028 4.125 0.626 124 HA GLU 523 HA GLU 523 2.760 4.934 0.381 125 HB2 GLU 523 2HB GLU 523 3.085 3.787 2.486 126 HB3 GLU 523 1HB GLU 523 1.714 4.872 2.595 127 HG2 GLU 523 2HG GLU 523 1.191 2.035 1.905 128 HG3 GLU 523 1HG GLU 523 1.635 2.422 3.566 129 H GLY 524 H GLY 524 2.314 3.728 -1.807 130 HA2 GLY 524 2HA GLY 524 3.706 2.069 -2.888 131 HA3 GLY 524 1HA GLY 524 3.439 1.022 -1.498 132 H ALA 525 H ALA 525 0.708 2.763 -2.402 133 HA ALA 525 HA ALA 525 -0.801 0.474 -3.033 134 HB1 ALA 525 1HB ALA 525 -1.372 3.416 -3.275 135 HB2 ALA 525 2HB ALA 525 -1.912 2.298 -2.022 136 HB3 ALA 525 3HB ALA 525 -2.563 2.173 -3.655 137 H ALA 526 H ALA 526 1.071 0.039 -4.792 138 HA ALA 526 HA ALA 526 1.574 -0.319 -6.968 139 HB1 ALA 526 1HB ALA 526 -1.271 0.276 -7.676 140 HB2 ALA 526 2HB ALA 526 -0.846 -1.172 -6.763 141 HB3 ALA 526 3HB ALA 526 -0.177 -0.916 -8.375 142 H ILE 527 H ILE 527 2.877 1.488 -7.142 143 HA ILE 527 HA ILE 527 2.270 3.232 -9.244 144 HB ILE 527 HB ILE 527 0.887 4.349 -7.660 145 HG12 ILE 527 2HG1 ILE 527 3.400 6.007 -7.712 146 HG13 ILE 527 1HG1 ILE 527 2.496 5.675 -9.187 147 HG21 ILE 527 1HG2 ILE 527 1.454 4.906 -5.499 148 HG22 ILE 527 2HG2 ILE 527 3.186 4.821 -5.829 149 HG23 ILE 527 3HG2 ILE 527 2.232 3.338 -5.726 150 HD11 ILE 527 3HD1 ILE 527 1.344 7.509 -8.710 151 HD12 ILE 527 1HD1 ILE 527 1.959 7.563 -7.059 152 HD13 ILE 527 2HD1 ILE 527 0.561 6.560 -7.446 153 H GLY 528 H GLY 528 4.128 3.017 -6.223 154 HA2 GLY 528 2HA GLY 528 6.375 3.095 -5.805 155 HA3 GLY 528 1HA GLY 528 6.592 2.558 -7.456 156 H ALA 529 H ALA 529 5.107 5.191 -8.254 157 HA ALA 529 HA ALA 529 5.846 7.142 -9.180 158 HB1 ALA 529 1HB ALA 529 6.081 8.767 -7.606 159 HB2 ALA 529 2HB ALA 529 7.225 7.829 -6.646 160 HB3 ALA 529 3HB ALA 529 5.501 7.463 -6.569 161 H ALA 530 H ALA 530 7.656 4.896 -9.535 162 HA ALA 530 HA ALA 530 9.784 5.990 -10.830 163 HB1 ALA 530 1HB ALA 530 11.397 5.140 -8.679 164 HB2 ALA 530 2HB ALA 530 10.181 6.215 -7.990 165 HB3 ALA 530 3HB ALA 530 11.211 6.779 -9.305 166 H TRP 531 H TRP 531 8.247 3.890 -11.322 167 HA TRP 531 HA TRP 531 8.042 1.575 -11.408 168 HB2 TRP 531 2HB TRP 531 10.178 0.715 -12.651 169 HB3 TRP 531 1HB TRP 531 9.053 1.806 -13.453 170 HD1 TRP 531 HD TRP 531 12.089 2.461 -11.127 171 HE1 TRP 531 1HE TRP 531 13.598 4.212 -12.266 172 HE3 TRP 531 3HE TRP 531 9.433 3.130 -15.439 173 HZ2 TRP 531 2HZ TRP 531 13.651 5.680 -14.678 174 HZ3 TRP 531 3HZ TRP 531 10.279 4.725 -17.111 175 HH2 TRP 531 HH TRP 531 12.344 5.973 -16.737 176 H ILE 532 H ILE 532 8.643 2.146 -8.904 177 HA ILE 532 HA ILE 532 10.417 -0.052 -8.181 178 HB ILE 532 HB ILE 532 11.570 2.112 -8.018 179 HG12 ILE 532 2HG1 ILE 532 11.020 1.020 -5.253 180 HG13 ILE 532 1HG1 ILE 532 11.990 0.154 -6.435 181 HG21 ILE 532 1HG2 ILE 532 9.214 3.133 -7.325 182 HG22 ILE 532 2HG2 ILE 532 10.747 3.910 -6.908 183 HG23 ILE 532 3HG2 ILE 532 9.903 2.928 -5.710 184 HD11 ILE 532 3HD1 ILE 532 12.637 2.954 -5.593 185 HD12 ILE 532 1HD1 ILE 532 13.676 1.771 -6.388 186 HD13 ILE 532 2HD1 ILE 532 13.212 1.544 -4.700 187 HA PRO 533 HA PRO 533 6.369 0.658 -5.604 188 HB2 PRO 533 2HB PRO 533 4.513 -0.762 -7.018 189 HB3 PRO 533 1HB PRO 533 4.716 0.984 -7.160 190 HG2 PRO 533 2HG PRO 533 5.736 -1.185 -8.937 191 HG3 PRO 533 1HG PRO 533 5.046 0.388 -9.370 192 HD2 PRO 533 2HD PRO 533 7.701 -0.093 -9.391 193 HD3 PRO 533 1HD PRO 533 7.014 1.496 -9.002 194 H TYR 534 H TYR 534 7.939 -1.806 -7.343 195 HA TYR 534 HA TYR 534 6.916 -4.137 -6.218 196 HB2 TYR 534 2HB TYR 534 9.719 -3.539 -7.202 197 HB3 TYR 534 1HB TYR 534 9.050 -5.147 -6.947 198 HD1 TYR 534 1HD TYR 534 8.829 -2.096 -9.085 199 HD2 TYR 534 2HD TYR 534 7.622 -6.159 -8.550 200 HE1 TYR 534 1HE TYR 534 7.970 -2.149 -11.380 201 HE2 TYR 534 2HE TYR 534 6.764 -6.204 -10.851 202 HH TYR 534 HH TYR 534 5.884 -4.336 -12.527 203 H PHE 535 H PHE 535 9.824 -2.277 -5.317 204 HA PHE 535 HA PHE 535 9.494 -3.254 -2.566 205 HB2 PHE 535 2HB PHE 535 12.039 -3.268 -2.442 206 HB3 PHE 535 1HB PHE 535 11.282 -4.570 -3.354 207 HD1 PHE 535 1HD PHE 535 13.255 -1.490 -3.582 208 HD2 PHE 535 2HD PHE 535 11.558 -4.748 -5.731 209 HE1 PHE 535 1HE PHE 535 14.633 -0.913 -5.536 210 HE2 PHE 535 2HE PHE 535 12.934 -4.177 -7.690 211 HZ PHE 535 HZ PHE 535 14.475 -2.258 -7.593 212 H GLY 536 H GLY 536 9.197 -0.630 -4.310 213 HA2 GLY 536 2HA GLY 536 10.941 1.301 -3.262 214 HA3 GLY 536 1HA GLY 536 9.340 1.626 -3.914 215 HA PRO 537 HA PRO 537 8.346 2.622 0.342 216 HB2 PRO 537 2HB PRO 537 5.856 3.435 -0.002 217 HB3 PRO 537 1HB PRO 537 7.161 4.330 -0.804 218 HG2 PRO 537 2HG PRO 537 5.423 2.148 -1.927 219 HG3 PRO 537 1HG PRO 537 5.713 3.769 -2.600 220 HD2 PRO 537 2HD PRO 537 7.077 1.569 -3.405 221 HD3 PRO 537 1HD PRO 537 7.822 3.184 -3.369 222 H ALA 538 H ALA 538 8.104 -0.102 -0.878 223 HA ALA 538 HA ALA 538 5.984 -1.175 0.810 224 HB1 ALA 538 1HB ALA 538 5.456 -2.788 -0.825 225 HB2 ALA 538 2HB ALA 538 6.931 -2.460 -1.739 226 HB3 ALA 538 3HB ALA 538 5.620 -1.279 -1.725 227 H ALA 539 H ALA 539 9.229 -1.136 -0.282 228 HA ALA 539 HA ALA 539 9.993 -2.940 1.821 229 HB1 ALA 539 1HB ALA 539 11.199 -4.504 0.431 230 HB2 ALA 539 2HB ALA 539 10.671 -3.646 -1.015 231 HB3 ALA 539 3HB ALA 539 9.490 -4.475 -0.001 232 H GLU 540 H GLU 540 10.531 -0.095 0.611 233 HA GLU 540 HA GLU 540 13.380 -0.113 0.165 234 HB2 GLU 540 2HB GLU 540 13.206 2.334 0.302 235 HB3 GLU 540 1HB GLU 540 12.024 1.665 -0.811 236 HG2 GLU 540 2HG GLU 540 10.407 1.754 1.183 237 HG3 GLU 540 1HG GLU 540 11.594 2.841 1.904 238 H GLY 541 H GLY 541 13.293 -1.525 2.255 239 HA2 GLY 541 2HA GLY 541 14.484 -1.547 4.305 240 HA3 GLY 541 1HA GLY 541 14.171 0.180 4.469 241 H ILE 542 H ILE 542 11.362 -0.865 3.410 242 HA ILE 542 HA ILE 542 10.021 -0.683 5.884 243 HB ILE 542 HB ILE 542 9.316 -0.897 3.051 244 HG12 ILE 542 2HG1 ILE 542 7.813 0.300 5.375 245 HG13 ILE 542 1HG1 ILE 542 9.165 1.100 4.580 246 HG21 ILE 542 1HG2 ILE 542 6.946 -1.627 3.596 247 HG22 ILE 542 2HG2 ILE 542 7.601 -2.287 5.093 248 HG23 ILE 542 3HG2 ILE 542 8.177 -2.891 3.537 249 HD11 ILE 542 3HD1 ILE 542 7.514 2.038 3.384 250 HD12 ILE 542 1HD1 ILE 542 6.401 0.703 3.672 251 HD13 ILE 542 2HD1 ILE 542 7.657 0.551 2.446 252 H TYR 543 H TYR 543 10.789 -3.393 3.729 253 HA TYR 543 HA TYR 543 9.359 -5.446 4.757 254 HB2 TYR 543 2HB TYR 543 11.229 -6.953 4.151 255 HB3 TYR 543 1HB TYR 543 10.853 -5.778 2.893 256 HD1 TYR 543 2HD TYR 543 12.306 -3.743 2.688 257 HD2 TYR 543 1HD TYR 543 13.377 -7.077 5.080 258 HE1 TYR 543 2HE TYR 543 14.653 -2.994 2.657 259 HE2 TYR 543 1HE TYR 543 15.730 -6.347 5.066 260 HH TYR 543 HH TYR 543 17.197 -4.903 3.467 261 H ALA 544 H ALA 544 12.002 -3.818 6.330 262 HA ALA 544 HA ALA 544 12.803 -5.637 8.245 263 HB1 ALA 544 1HB ALA 544 12.378 -2.692 8.703 264 HB2 ALA 544 2HB ALA 544 13.782 -3.391 7.896 265 HB3 ALA 544 3HB ALA 544 13.466 -3.757 9.592 266 H GLU 545 H GLU 545 9.757 -4.125 7.891 267 HA GLU 545 HA GLU 545 8.739 -4.013 10.458 268 HB2 GLU 545 2HB GLU 545 6.518 -4.514 9.269 269 HB3 GLU 545 1HB GLU 545 7.411 -3.099 8.730 270 HG2 GLU 545 2HG GLU 545 6.889 -3.993 6.715 271 HG3 GLU 545 1HG GLU 545 8.408 -4.835 7.002 272 H GLY 546 H GLY 546 8.850 -6.668 8.156 273 HA2 GLY 546 2HA GLY 546 8.539 -8.914 8.376 274 HA3 GLY 546 1HA GLY 546 9.365 -8.695 9.905 275 H LEU 547 H LEU 547 6.069 -7.886 8.711 276 HA LEU 547 HA LEU 547 4.838 -9.824 10.362 277 HB2 LEU 547 2HB LEU 547 3.997 -8.626 12.150 278 HB3 LEU 547 1HB LEU 547 5.645 -8.049 12.015 279 HG LEU 547 HG LEU 547 3.310 -6.556 10.837 280 HD11 LEU 547 1HD1 LEU 547 2.906 -5.466 12.782 281 HD12 LEU 547 2HD1 LEU 547 4.559 -5.659 13.364 282 HD13 LEU 547 3HD1 LEU 547 3.429 -7.010 13.454 283 HD21 LEU 547 3HD2 LEU 547 5.911 -5.399 11.732 284 HD22 LEU 547 1HD2 LEU 547 4.780 -4.809 10.515 285 HD23 LEU 547 2HD2 LEU 547 5.798 -6.207 10.169 286 H MET 548 H MET 548 4.323 -6.645 8.836 287 HA MET 548 HA MET 548 2.423 -7.610 7.016 288 HB2 MET 548 2HB MET 548 0.337 -6.915 7.878 289 HB3 MET 548 1HB MET 548 1.111 -7.804 9.181 290 HG2 MET 548 2HG MET 548 1.905 -5.482 9.983 291 HG3 MET 548 1HG MET 548 0.638 -4.866 8.926 292 HE1 MET 548 3HE MET 548 -0.082 -7.612 12.563 293 HE2 MET 548 1HE MET 548 1.490 -6.950 12.115 294 HE3 MET 548 2HE MET 548 0.723 -8.168 11.096 295 H HIS 549 H HIS 549 3.770 -4.918 8.778 296 HA HIS 549 HA HIS 549 2.746 -2.758 7.398 297 HB2 HIS 549 2HB HIS 549 5.119 -3.289 9.031 298 HB3 HIS 549 1HB HIS 549 5.325 -1.970 7.882 299 HD1 HIS 549 1HD HIS 549 1.883 -2.307 9.030 300 HD2 HIS 549 2HD HIS 549 5.317 -0.349 10.308 301 HE1 HIS 549 1HE HIS 549 1.095 -0.570 10.653 302 HE2 HIS 549 2HE HIS 549 3.178 0.665 11.352 303 H ASN 550 H ASN 550 4.733 -5.225 6.122 304 HA ASN 550 HA ASN 550 6.058 -3.669 4.129 305 HB2 ASN 550 2HB ASN 550 6.555 -5.928 3.117 306 HB3 ASN 550 1HB ASN 550 7.099 -5.713 4.778 307 HD21 ASN 550 1HD2 ASN 550 7.126 -8.093 4.650 308 HD22 ASN 550 2HD2 ASN 550 5.674 -8.944 5.039 309 H GLN 551 H GLN 551 2.892 -4.136 4.450 310 HA GLN 551 HA GLN 551 1.857 -5.197 2.131 311 HB2 GLN 551 2HB GLN 551 -0.073 -3.667 2.532 312 HB3 GLN 551 1HB GLN 551 0.436 -4.558 3.961 313 HG2 GLN 551 2HG GLN 551 0.185 -2.481 4.855 314 HG3 GLN 551 1HG GLN 551 1.882 -2.415 4.393 315 HE21 GLN 551 1HE2 GLN 551 -1.135 -2.044 2.557 316 HE22 GLN 551 2HE2 GLN 551 -0.747 -0.491 1.909 317 H ASP 552 H ASP 552 0.443 -3.500 0.673 318 HA ASP 552 HA ASP 552 2.384 -1.630 -0.519 319 HB2 ASP 552 2HB ASP 552 0.520 -3.575 -1.877 320 HB3 ASP 552 1HB ASP 552 1.224 -2.200 -2.724 321 H GLY 553 H GLY 553 -1.102 -2.448 -0.489 322 HA2 GLY 553 2HA GLY 553 -2.623 -0.729 0.400 323 HA3 GLY 553 1HA GLY 553 -1.626 0.461 -0.420 324 H LEU 554 H LEU 554 -2.900 -2.638 -1.613 325 HA LEU 554 HA LEU 554 -3.455 -2.034 -4.150 326 HB2 LEU 554 2HB LEU 554 -5.632 -3.479 -3.805 327 HB3 LEU 554 1HB LEU 554 -4.031 -4.185 -3.734 328 HG LEU 554 HG LEU 554 -4.685 -3.338 -1.109 329 HD11 LEU 554 1HD1 LEU 554 -6.809 -3.873 -0.694 330 HD12 LEU 554 2HD1 LEU 554 -6.736 -5.316 -1.705 331 HD13 LEU 554 3HD1 LEU 554 -7.047 -3.742 -2.436 332 HD21 LEU 554 3HD2 LEU 554 -4.525 -6.069 -2.368 333 HD22 LEU 554 1HD2 LEU 554 -4.519 -5.746 -0.634 334 HD23 LEU 554 2HD2 LEU 554 -3.195 -5.164 -1.645 335 H ILE 555 H ILE 555 -6.209 -1.852 -1.894 336 HA ILE 555 HA ILE 555 -8.036 -0.487 -1.847 337 HB ILE 555 HB ILE 555 -6.280 1.607 -3.111 338 HG12 ILE 555 2HG1 ILE 555 -5.145 0.531 -1.180 339 HG13 ILE 555 1HG1 ILE 555 -5.519 2.231 -0.909 340 HG21 ILE 555 1HG2 ILE 555 -8.405 2.069 -1.063 341 HG22 ILE 555 2HG2 ILE 555 -8.818 1.897 -2.769 342 HG23 ILE 555 3HG2 ILE 555 -7.734 3.188 -2.249 343 HD11 ILE 555 3HD1 ILE 555 -6.523 -0.169 0.437 344 HD12 ILE 555 1HD1 ILE 555 -7.717 1.085 0.114 345 HD13 ILE 555 2HD1 ILE 555 -6.272 1.463 1.051 346 H CYS 556 H CYS 556 -9.596 -1.115 -3.217 347 HA CYS 556 HA CYS 556 -9.361 -1.361 -5.989 348 HB2 CYS 556 2HB CYS 556 -11.673 -1.227 -4.098 349 HB3 CYS 556 1HB CYS 556 -11.981 -1.152 -5.829 350 H GLY 557 H GLY 557 -10.272 1.376 -4.000 351 HA2 GLY 557 2HA GLY 557 -9.931 3.613 -4.784 352 HA3 GLY 557 1HA GLY 557 -10.227 3.041 -6.421 353 H LEU 558 H LEU 558 -12.534 1.455 -5.544 354 HA LEU 558 HA LEU 558 -14.491 3.086 -4.371 355 HB2 LEU 558 2HB LEU 558 -15.756 3.752 -6.324 356 HB3 LEU 558 1HB LEU 558 -14.132 4.407 -6.407 357 HG LEU 558 HG LEU 558 -14.773 1.849 -7.836 358 HD11 LEU 558 1HD1 LEU 558 -16.504 3.491 -8.473 359 HD12 LEU 558 2HD1 LEU 558 -15.427 3.067 -9.804 360 HD13 LEU 558 3HD1 LEU 558 -15.228 4.605 -8.963 361 HD21 LEU 558 3HD2 LEU 558 -12.557 3.685 -7.650 362 HD22 LEU 558 1HD2 LEU 558 -13.085 3.492 -9.322 363 HD23 LEU 558 2HD2 LEU 558 -12.631 2.077 -8.373 364 H ARG 559 H ARG 559 -13.768 0.625 -6.748 365 HA ARG 559 HA ARG 559 -14.668 -1.636 -5.798 366 HB2 ARG 559 2HB ARG 559 -17.071 -1.884 -6.512 367 HB3 ARG 559 1HB ARG 559 -16.831 -0.848 -5.112 368 HG2 ARG 559 2HG ARG 559 -16.718 0.940 -7.173 369 HG3 ARG 559 1HG ARG 559 -17.899 -0.231 -7.757 370 HD2 ARG 559 2HD ARG 559 -18.779 0.062 -5.245 371 HD3 ARG 559 1HD ARG 559 -18.050 1.650 -5.479 372 HE ARG 559 HE ARG 559 -19.711 0.955 -7.673 373 HH11 ARG 559 1HH1 ARG 559 -19.823 2.070 -4.368 374 HH12 ARG 559 2HH1 ARG 559 -21.344 2.875 -4.559 375 HH21 ARG 559 1HH2 ARG 559 -21.711 2.015 -7.926 376 HH22 ARG 559 2HH2 ARG 559 -22.416 2.843 -6.579 377 H GLN 560 H GLN 560 -14.533 -3.218 -7.353 378 HA GLN 560 HA GLN 560 -15.031 -2.558 -10.114 379 HB2 GLN 560 2HB GLN 560 -12.768 -3.073 -10.894 380 HB3 GLN 560 1HB GLN 560 -12.766 -1.688 -9.807 381 HG2 GLN 560 2HG GLN 560 -11.232 -2.679 -8.569 382 HG3 GLN 560 1HG GLN 560 -12.366 -3.982 -8.218 383 HE21 GLN 560 1HE2 GLN 560 -9.524 -4.185 -8.468 384 HE22 GLN 560 2HE2 GLN 560 -9.202 -5.260 -9.782 Start of MODEL 15 1 H1 ALA 507 1HT ALA 507 -13.229 6.783 2.689 2 H2 ALA 507 2HT ALA 507 -12.886 6.514 4.349 3 H3 ALA 507 3HT ALA 507 -14.261 7.434 3.892 4 HA ALA 507 HA ALA 507 -14.592 5.065 4.620 5 HB1 ALA 507 2HB ALA 507 -16.499 4.891 3.260 6 HB2 ALA 507 3HB ALA 507 -15.739 5.777 1.938 7 HB3 ALA 507 1HB ALA 507 -16.201 6.622 3.414 8 H GLN 508 H GLN 508 -14.003 3.015 4.313 9 HA GLN 508 HA GLN 508 -12.148 2.378 2.201 10 HB2 GLN 508 2HB GLN 508 -13.327 0.689 4.414 11 HB3 GLN 508 1HB GLN 508 -12.097 0.130 3.287 12 HG2 GLN 508 2HG GLN 508 -10.461 1.494 4.192 13 HG3 GLN 508 1HG GLN 508 -11.636 2.582 4.929 14 HE21 GLN 508 1HE2 GLN 508 -11.049 2.486 7.014 15 HE22 GLN 508 2HE2 GLN 508 -11.027 1.044 7.965 16 HA PRO 509 HA PRO 509 -15.171 0.408 -0.369 17 HB2 PRO 509 2HB PRO 509 -13.534 -0.596 -2.221 18 HB3 PRO 509 1HB PRO 509 -13.672 1.146 -1.978 19 HG2 PRO 509 2HG PRO 509 -11.467 -0.680 -1.247 20 HG3 PRO 509 1HG PRO 509 -11.427 1.059 -1.574 21 HD2 PRO 509 2HD PRO 509 -11.534 -0.278 0.978 22 HD3 PRO 509 1HD PRO 509 -11.455 1.467 0.653 23 H LYS 510 H LYS 510 -13.901 -1.199 1.946 24 HA LYS 510 HA LYS 510 -13.910 -3.327 2.741 25 HB2 LYS 510 2HB LYS 510 -16.146 -3.232 0.782 26 HB3 LYS 510 1HB LYS 510 -15.696 -4.796 1.445 27 HG2 LYS 510 2HG LYS 510 -15.833 -3.021 3.619 28 HG3 LYS 510 1HG LYS 510 -17.255 -2.711 2.623 29 HD2 LYS 510 2HD LYS 510 -17.986 -4.949 2.793 30 HD3 LYS 510 1HD LYS 510 -16.428 -5.490 3.421 31 HE2 LYS 510 2HE LYS 510 -18.211 -3.549 4.875 32 HE3 LYS 510 1HE LYS 510 -18.291 -5.295 5.113 33 HZ1 LYS 510 3HZ LYS 510 -16.007 -5.287 5.843 34 HZ2 LYS 510 1HZ LYS 510 -16.895 -4.184 6.769 35 HZ3 LYS 510 2HZ LYS 510 -15.870 -3.628 5.544 36 H CYS 511 H CYS 511 -12.005 -2.726 0.599 37 HA CYS 511 HA CYS 511 -11.291 -5.458 -0.015 38 HB2 CYS 511 2HB CYS 511 -10.900 -4.813 -2.476 39 HB3 CYS 511 1HB CYS 511 -12.546 -5.173 -1.973 40 H ASN 512 H ASN 512 -10.045 -3.767 1.698 41 HA ASN 512 HA ASN 512 -7.652 -2.878 0.232 42 HB2 ASN 512 2HB ASN 512 -7.186 -1.458 2.231 43 HB3 ASN 512 1HB ASN 512 -8.682 -1.034 1.405 44 HD21 ASN 512 1HD2 ASN 512 -10.501 -0.971 2.544 45 HD22 ASN 512 2HD2 ASN 512 -10.684 -1.534 4.166 46 HA PRO 513 HA PRO 513 -5.449 -6.031 2.375 47 HB2 PRO 513 2HB PRO 513 -2.907 -5.169 2.029 48 HB3 PRO 513 1HB PRO 513 -3.881 -5.855 0.728 49 HG2 PRO 513 2HG PRO 513 -3.129 -3.042 1.239 50 HG3 PRO 513 1HG PRO 513 -3.503 -3.850 -0.288 51 HD2 PRO 513 2HD PRO 513 -5.209 -2.174 1.202 52 HD3 PRO 513 1HD PRO 513 -5.658 -3.177 -0.189 53 H ASN 514 H ASN 514 -3.293 -3.334 3.093 54 HA ASN 514 HA ASN 514 -3.918 -3.605 5.958 55 HB2 ASN 514 2HB ASN 514 -1.383 -4.053 4.531 56 HB3 ASN 514 1HB ASN 514 -1.256 -3.057 5.976 57 HD21 ASN 514 1HD2 ASN 514 -1.904 -6.206 4.713 58 HD22 ASN 514 2HD2 ASN 514 -1.928 -7.042 6.224 59 H LEU 515 H LEU 515 -1.673 -1.773 3.961 60 HA LEU 515 HA LEU 515 -0.976 0.394 4.085 61 HB2 LEU 515 2HB LEU 515 -2.607 1.850 3.160 62 HB3 LEU 515 1HB LEU 515 -2.840 0.247 2.483 63 HG LEU 515 HG LEU 515 -4.537 0.249 4.644 64 HD11 LEU 515 1HD1 LEU 515 -4.104 2.997 3.787 65 HD12 LEU 515 2HD1 LEU 515 -4.913 2.373 5.224 66 HD13 LEU 515 3HD1 LEU 515 -5.795 2.503 3.702 67 HD21 LEU 515 3HD2 LEU 515 -6.278 0.713 2.766 68 HD22 LEU 515 1HD2 LEU 515 -5.295 -0.751 2.721 69 HD23 LEU 515 2HD2 LEU 515 -4.868 0.629 1.709 70 H HIS 516 H HIS 516 -1.054 -0.490 6.640 71 HA HIS 516 HA HIS 516 -2.454 1.585 8.168 72 HB2 HIS 516 2HB HIS 516 -1.707 -1.197 8.691 73 HB3 HIS 516 1HB HIS 516 -1.335 -0.111 10.026 74 HD1 HIS 516 1HD HIS 516 -3.704 1.731 10.081 75 HD2 HIS 516 2HD HIS 516 -4.054 -2.349 9.372 76 HE1 HIS 516 1HE HIS 516 -6.070 1.143 10.693 77 HE2 HIS 516 2HE HIS 516 -6.235 -1.345 10.336 78 H TYR 517 H TYR 517 0.597 0.998 6.879 79 HA TYR 517 HA TYR 517 2.014 2.249 9.097 80 HB2 TYR 517 2HB TYR 517 4.008 1.556 8.119 81 HB3 TYR 517 1HB TYR 517 2.901 0.276 7.649 82 HD1 TYR 517 1HD TYR 517 4.054 3.586 6.319 83 HD2 TYR 517 2HD TYR 517 3.071 -0.467 5.472 84 HE1 TYR 517 1HE TYR 517 4.638 3.944 3.969 85 HE2 TYR 517 2HE TYR 517 3.654 -0.118 3.115 86 HH TYR 517 HH TYR 517 3.887 1.669 1.517 87 H TRP 518 H TRP 518 0.677 3.059 6.015 88 HA TRP 518 HA TRP 518 1.921 5.710 6.146 89 HB2 TRP 518 2HB TRP 518 2.097 4.065 4.065 90 HB3 TRP 518 1HB TRP 518 0.539 4.789 3.684 91 HD1 TRP 518 HD TRP 518 0.721 6.825 2.188 92 HE1 TRP 518 1HE TRP 518 2.486 8.641 1.720 93 HE3 TRP 518 3HE TRP 518 4.285 5.364 5.539 94 HZ2 TRP 518 2HZ TRP 518 5.052 9.359 2.656 95 HZ3 TRP 518 3HZ TRP 518 6.366 6.668 5.694 96 HH2 TRP 518 HH TRP 518 6.741 8.624 4.282 97 H THR 519 H THR 519 0.715 7.364 6.537 98 HA THR 519 HA THR 519 -1.528 7.770 7.682 99 HB THR 519 HB THR 519 -0.459 9.685 6.861 100 HG1 THR 519 1HG THR 519 -2.449 10.413 6.923 101 HG21 THR 519 3HG2 THR 519 0.323 10.017 4.811 102 HG22 THR 519 1HG2 THR 519 -1.209 9.579 4.057 103 HG23 THR 519 2HG2 THR 519 -0.063 8.320 4.521 104 H THR 520 H THR 520 -1.710 7.278 4.138 105 HA THR 520 HA THR 520 -3.873 5.516 4.220 106 HB THR 520 HB THR 520 -4.936 7.718 5.083 107 HG1 THR 520 1HG THR 520 -6.021 6.196 2.958 108 HG21 THR 520 3HG2 THR 520 -5.862 9.164 3.361 109 HG22 THR 520 1HG2 THR 520 -4.937 8.303 2.128 110 HG23 THR 520 2HG2 THR 520 -4.100 9.233 3.372 111 H GLN 521 H GLN 521 -2.606 8.273 2.365 112 HA GLN 521 HA GLN 521 -3.364 7.677 -0.165 113 HB2 GLN 521 2HB GLN 521 -1.247 8.687 -0.955 114 HB3 GLN 521 1HB GLN 521 -2.040 9.634 0.298 115 HG2 GLN 521 2HG GLN 521 -0.487 8.506 1.942 116 HG3 GLN 521 1HG GLN 521 0.401 7.907 0.542 117 HE21 GLN 521 1HE2 GLN 521 0.903 9.934 2.781 118 HE22 GLN 521 2HE2 GLN 521 1.533 11.309 1.945 119 H ASP 522 H ASP 522 -2.444 6.575 -1.938 120 HA ASP 522 HA ASP 522 -1.908 3.913 -1.563 121 HB2 ASP 522 2HB ASP 522 -1.289 5.767 -3.847 122 HB3 ASP 522 1HB ASP 522 -0.869 4.058 -3.924 123 H GLU 523 H GLU 523 -0.367 3.499 -0.008 124 HA GLU 523 HA GLU 523 2.338 4.505 -0.392 125 HB2 GLU 523 2HB GLU 523 2.809 3.433 1.758 126 HB3 GLU 523 1HB GLU 523 1.439 4.522 1.856 127 HG2 GLU 523 2HG GLU 523 0.879 1.659 1.339 128 HG3 GLU 523 1HG GLU 523 1.420 2.114 2.956 129 H GLY 524 H GLY 524 2.200 3.230 -2.486 130 HA2 GLY 524 2HA GLY 524 3.747 1.589 -3.376 131 HA3 GLY 524 1HA GLY 524 3.337 0.552 -2.013 132 H ALA 525 H ALA 525 0.661 2.196 -3.173 133 HA ALA 525 HA ALA 525 -0.626 -0.163 -4.044 134 HB1 ALA 525 1HB ALA 525 -1.543 2.131 -3.088 135 HB2 ALA 525 2HB ALA 525 -2.531 1.083 -4.106 136 HB3 ALA 525 3HB ALA 525 -1.722 2.485 -4.806 137 H ALA 526 H ALA 526 1.435 -0.364 -5.627 138 HA ALA 526 HA ALA 526 2.183 -0.538 -7.756 139 HB1 ALA 526 1HB ALA 526 0.178 -0.479 -9.486 140 HB2 ALA 526 2HB ALA 526 -0.768 -0.646 -8.006 141 HB3 ALA 526 3HB ALA 526 0.451 -1.854 -8.415 142 H ILE 527 H ILE 527 3.310 1.402 -7.685 143 HA ILE 527 HA ILE 527 2.735 3.201 -9.756 144 HB ILE 527 HB ILE 527 1.113 4.092 -8.260 145 HG12 ILE 527 2HG1 ILE 527 3.434 5.979 -7.947 146 HG13 ILE 527 1HG1 ILE 527 2.756 5.644 -9.538 147 HG21 ILE 527 1HG2 ILE 527 3.174 4.645 -6.185 148 HG22 ILE 527 2HG2 ILE 527 2.360 3.081 -6.262 149 HG23 ILE 527 3HG2 ILE 527 1.418 4.556 -6.026 150 HD11 ILE 527 3HD1 ILE 527 0.543 6.231 -8.004 151 HD12 ILE 527 1HD1 ILE 527 1.356 7.315 -9.132 152 HD13 ILE 527 2HD1 ILE 527 1.773 7.352 -7.419 153 H GLY 528 H GLY 528 4.331 2.956 -6.592 154 HA2 GLY 528 2HA GLY 528 6.519 3.213 -5.964 155 HA3 GLY 528 1HA GLY 528 6.930 2.824 -7.622 156 H ALA 529 H ALA 529 5.255 5.352 -8.376 157 HA ALA 529 HA ALA 529 5.866 7.427 -9.108 158 HB1 ALA 529 1HB ALA 529 5.226 7.556 -6.557 159 HB2 ALA 529 2HB ALA 529 5.837 8.968 -7.419 160 HB3 ALA 529 3HB ALA 529 6.918 8.027 -6.392 161 H ALA 530 H ALA 530 7.913 5.445 -9.505 162 HA ALA 530 HA ALA 530 10.019 6.840 -10.486 163 HB1 ALA 530 1HB ALA 530 10.161 6.804 -7.594 164 HB2 ALA 530 2HB ALA 530 11.168 7.670 -8.753 165 HB3 ALA 530 3HB ALA 530 11.564 6.010 -8.307 166 H TRP 531 H TRP 531 8.780 4.649 -11.290 167 HA TRP 531 HA TRP 531 8.834 2.339 -11.562 168 HB2 TRP 531 2HB TRP 531 11.147 1.797 -12.646 169 HB3 TRP 531 1HB TRP 531 10.006 2.855 -13.470 170 HD1 TRP 531 HD TRP 531 12.712 3.581 -10.780 171 HE1 TRP 531 1HE TRP 531 14.155 5.542 -11.620 172 HE3 TRP 531 3HE TRP 531 10.474 4.351 -15.309 173 HZ2 TRP 531 2HZ TRP 531 14.320 7.194 -13.904 174 HZ3 TRP 531 3HZ TRP 531 11.333 6.141 -16.762 175 HH2 TRP 531 HH TRP 531 13.217 7.533 -16.073 176 H ILE 532 H ILE 532 9.145 2.774 -8.975 177 HA ILE 532 HA ILE 532 11.050 0.697 -8.231 178 HB ILE 532 HB ILE 532 11.949 2.956 -7.820 179 HG12 ILE 532 2HG1 ILE 532 11.313 1.468 -5.260 180 HG13 ILE 532 1HG1 ILE 532 12.567 0.993 -6.393 181 HG21 ILE 532 1HG2 ILE 532 9.464 3.679 -7.266 182 HG22 ILE 532 2HG2 ILE 532 10.862 4.551 -6.620 183 HG23 ILE 532 3HG2 ILE 532 10.013 3.376 -5.612 184 HD11 ILE 532 3HD1 ILE 532 13.851 2.900 -5.924 185 HD12 ILE 532 1HD1 ILE 532 13.302 2.291 -4.359 186 HD13 ILE 532 2HD1 ILE 532 12.513 3.691 -5.090 187 HA PRO 533 HA PRO 533 6.711 0.845 -6.045 188 HB2 PRO 533 2HB PRO 533 5.192 -0.684 -7.736 189 HB3 PRO 533 1HB PRO 533 5.182 1.080 -7.739 190 HG2 PRO 533 2HG PRO 533 6.626 -0.805 -9.543 191 HG3 PRO 533 1HG PRO 533 5.805 0.716 -9.932 192 HD2 PRO 533 2HD PRO 533 8.485 0.525 -9.709 193 HD3 PRO 533 1HD PRO 533 7.587 1.995 -9.279 194 H TYR 534 H TYR 534 8.688 -1.325 -7.773 195 HA TYR 534 HA TYR 534 7.867 -3.825 -6.929 196 HB2 TYR 534 2HB TYR 534 10.668 -2.796 -7.452 197 HB3 TYR 534 1HB TYR 534 10.216 -4.496 -7.368 198 HD1 TYR 534 1HD TYR 534 9.832 -1.371 -9.378 199 HD2 TYR 534 2HD TYR 534 9.187 -5.591 -9.203 200 HE1 TYR 534 1HE TYR 534 9.304 -1.395 -11.772 201 HE2 TYR 534 2HE TYR 534 8.659 -5.607 -11.602 202 HH TYR 534 HH TYR 534 9.354 -3.961 -13.653 203 H PHE 535 H PHE 535 10.449 -1.812 -5.500 204 HA PHE 535 HA PHE 535 9.772 -2.953 -2.878 205 HB2 PHE 535 2HB PHE 535 12.494 -2.689 -4.125 206 HB3 PHE 535 1HB PHE 535 12.282 -2.818 -2.383 207 HD1 PHE 535 2HD PHE 535 11.176 -4.544 -5.502 208 HD2 PHE 535 1HD PHE 535 12.423 -4.906 -1.449 209 HE1 PHE 535 2HE PHE 535 11.095 -6.995 -5.701 210 HE2 PHE 535 1HE PHE 535 12.346 -7.358 -1.641 211 HZ PHE 535 HZ PHE 535 11.680 -8.406 -3.769 212 H GLY 536 H GLY 536 9.696 -0.238 -4.579 213 HA2 GLY 536 2HA GLY 536 11.114 1.714 -3.189 214 HA3 GLY 536 1HA GLY 536 9.602 1.992 -4.043 215 HA PRO 537 HA PRO 537 7.917 2.701 0.040 216 HB2 PRO 537 2HB PRO 537 5.412 3.217 -0.618 217 HB3 PRO 537 1HB PRO 537 6.689 4.281 -1.241 218 HG2 PRO 537 2HG PRO 537 5.396 1.924 -2.589 219 HG3 PRO 537 1HG PRO 537 5.559 3.582 -3.212 220 HD2 PRO 537 2HD PRO 537 7.282 1.593 -3.850 221 HD3 PRO 537 1HD PRO 537 7.807 3.287 -3.701 222 H ALA 538 H ALA 538 8.179 0.002 -1.222 223 HA ALA 538 HA ALA 538 6.011 -1.368 0.162 224 HB1 ALA 538 1HB ALA 538 5.916 -1.463 -2.368 225 HB2 ALA 538 2HB ALA 538 5.959 -3.025 -1.546 226 HB3 ALA 538 3HB ALA 538 7.421 -2.383 -2.301 227 H ALA 539 H ALA 539 9.341 -0.918 -0.519 228 HA ALA 539 HA ALA 539 10.049 -2.680 1.643 229 HB1 ALA 539 1HB ALA 539 10.243 -4.393 0.174 230 HB2 ALA 539 2HB ALA 539 11.864 -3.708 0.049 231 HB3 ALA 539 3HB ALA 539 10.652 -3.335 -1.176 232 H GLU 540 H GLU 540 10.366 0.249 0.585 233 HA GLU 540 HA GLU 540 13.230 0.600 0.512 234 HB2 GLU 540 2HB GLU 540 12.727 3.002 0.681 235 HB3 GLU 540 1HB GLU 540 11.806 2.233 -0.602 236 HG2 GLU 540 2HG GLU 540 9.927 2.045 1.134 237 HG3 GLU 540 1HG GLU 540 10.856 3.226 2.057 238 H GLY 541 H GLY 541 13.034 -0.892 2.544 239 HA2 GLY 541 2HA GLY 541 13.954 -0.848 4.730 240 HA3 GLY 541 1HA GLY 541 13.412 0.824 4.888 241 H ILE 542 H ILE 542 10.920 -0.527 3.442 242 HA ILE 542 HA ILE 542 9.251 -0.580 5.711 243 HB ILE 542 HB ILE 542 8.965 -0.814 2.805 244 HG12 ILE 542 2HG1 ILE 542 7.001 0.156 4.869 245 HG13 ILE 542 1HG1 ILE 542 8.385 1.114 4.356 246 HG21 ILE 542 1HG2 ILE 542 8.010 -2.937 3.152 247 HG22 ILE 542 2HG2 ILE 542 6.650 -1.817 3.018 248 HG23 ILE 542 3HG2 ILE 542 7.152 -2.405 4.602 249 HD11 ILE 542 3HD1 ILE 542 7.483 0.747 1.983 250 HD12 ILE 542 1HD1 ILE 542 6.663 1.900 3.036 251 HD13 ILE 542 2HD1 ILE 542 5.983 0.292 2.791 252 H TYR 543 H TYR 543 10.486 -3.144 3.567 253 HA TYR 543 HA TYR 543 9.205 -5.349 4.472 254 HB2 TYR 543 2HB TYR 543 11.250 -6.654 3.958 255 HB3 TYR 543 1HB TYR 543 10.825 -5.502 2.697 256 HD1 TYR 543 1HD TYR 543 12.082 -3.354 2.555 257 HD2 TYR 543 2HD TYR 543 13.334 -6.552 5.042 258 HE1 TYR 543 1HE TYR 543 14.340 -2.369 2.662 259 HE2 TYR 543 2HE TYR 543 15.598 -5.588 5.166 260 HH TYR 543 HH TYR 543 16.614 -3.028 3.125 261 H ALA 544 H ALA 544 11.590 -3.516 6.226 262 HA ALA 544 HA ALA 544 12.425 -5.306 8.162 263 HB1 ALA 544 1HB ALA 544 13.275 -3.012 7.917 264 HB2 ALA 544 2HB ALA 544 12.827 -3.387 9.581 265 HB3 ALA 544 3HB ALA 544 11.762 -2.400 8.581 266 H GLU 545 H GLU 545 9.303 -4.048 7.622 267 HA GLU 545 HA GLU 545 8.107 -4.028 10.112 268 HB2 GLU 545 2HB GLU 545 6.027 -4.720 8.773 269 HB3 GLU 545 1HB GLU 545 6.827 -3.231 8.290 270 HG2 GLU 545 2HG GLU 545 6.557 -4.151 6.245 271 HG3 GLU 545 1HG GLU 545 8.095 -4.903 6.659 272 H GLY 546 H GLY 546 8.587 -6.654 7.827 273 HA2 GLY 546 2HA GLY 546 8.448 -8.922 8.030 274 HA3 GLY 546 1HA GLY 546 9.156 -8.642 9.608 275 H LEU 547 H LEU 547 5.890 -8.089 8.207 276 HA LEU 547 HA LEU 547 4.699 -10.127 9.748 277 HB2 LEU 547 2HB LEU 547 3.684 -9.035 11.516 278 HB3 LEU 547 1HB LEU 547 5.298 -8.356 11.491 279 HG LEU 547 HG LEU 547 2.944 -6.973 10.221 280 HD11 LEU 547 1HD1 LEU 547 2.326 -6.026 12.167 281 HD12 LEU 547 2HD1 LEU 547 3.969 -6.015 12.809 282 HD13 LEU 547 3HD1 LEU 547 3.014 -7.497 12.854 283 HD21 LEU 547 3HD2 LEU 547 4.319 -5.122 10.045 284 HD22 LEU 547 1HD2 LEU 547 5.424 -6.449 9.687 285 HD23 LEU 547 2HD2 LEU 547 5.431 -5.703 11.284 286 H MET 548 H MET 548 4.062 -6.941 8.283 287 HA MET 548 HA MET 548 2.320 -7.971 6.339 288 HB2 MET 548 2HB MET 548 0.153 -7.284 7.124 289 HB3 MET 548 1HB MET 548 0.867 -8.358 8.318 290 HG2 MET 548 2HG MET 548 1.662 -5.877 9.179 291 HG3 MET 548 1HG MET 548 0.044 -5.579 8.551 292 HE1 MET 548 3HE MET 548 -1.510 -5.297 9.806 293 HE2 MET 548 1HE MET 548 -1.473 -5.517 11.555 294 HE3 MET 548 2HE MET 548 -2.348 -6.664 10.541 295 H HIS 549 H HIS 549 3.418 -5.245 8.224 296 HA HIS 549 HA HIS 549 2.326 -3.111 6.870 297 HB2 HIS 549 2HB HIS 549 4.614 -3.559 8.600 298 HB3 HIS 549 1HB HIS 549 4.919 -2.281 7.427 299 HD1 HIS 549 1HD HIS 549 1.399 -2.489 8.343 300 HD2 HIS 549 2HD HIS 549 4.798 -0.623 9.836 301 HE1 HIS 549 1HE HIS 549 0.558 -0.706 9.888 302 HE2 HIS 549 2HE HIS 549 2.630 0.347 10.863 303 H ASN 550 H ASN 550 4.503 -5.426 5.590 304 HA ASN 550 HA ASN 550 5.693 -3.720 3.619 305 HB2 ASN 550 2HB ASN 550 6.527 -5.869 2.650 306 HB3 ASN 550 1HB ASN 550 6.940 -5.644 4.347 307 HD21 ASN 550 1HD2 ASN 550 7.263 -8.004 4.137 308 HD22 ASN 550 2HD2 ASN 550 5.904 -9.032 4.421 309 H GLN 551 H GLN 551 2.624 -4.379 3.885 310 HA GLN 551 HA GLN 551 1.667 -5.663 1.647 311 HB2 GLN 551 2HB GLN 551 -0.373 -4.368 1.977 312 HB3 GLN 551 1HB GLN 551 0.286 -4.876 3.527 313 HG2 GLN 551 2HG GLN 551 -0.132 -2.720 4.045 314 HG3 GLN 551 1HG GLN 551 1.472 -2.505 3.353 315 HE21 GLN 551 1HE2 GLN 551 1.665 -0.989 1.879 316 HE22 GLN 551 2HE2 GLN 551 0.391 -0.339 0.909 317 H ASP 552 H ASP 552 0.119 -4.064 0.145 318 HA ASP 552 HA ASP 552 1.998 -2.280 -1.260 319 HB2 ASP 552 2HB ASP 552 -0.043 -4.196 -2.396 320 HB3 ASP 552 1HB ASP 552 0.712 -2.923 -3.349 321 H GLY 553 H GLY 553 -1.480 -3.008 -0.867 322 HA2 GLY 553 2HA GLY 553 -2.951 -1.286 0.004 323 HA3 GLY 553 1HA GLY 553 -1.952 -0.096 -0.814 324 H LEU 554 H LEU 554 -3.319 -3.134 -2.056 325 HA LEU 554 HA LEU 554 -3.950 -2.367 -4.552 326 HB2 LEU 554 2HB LEU 554 -6.125 -3.889 -4.125 327 HB3 LEU 554 1HB LEU 554 -4.518 -4.526 -4.404 328 HG LEU 554 HG LEU 554 -4.969 -3.998 -1.588 329 HD11 LEU 554 1HD1 LEU 554 -6.496 -6.246 -1.723 330 HD12 LEU 554 2HD1 LEU 554 -7.107 -5.312 -3.089 331 HD13 LEU 554 3HD1 LEU 554 -7.117 -4.614 -1.469 332 HD21 LEU 554 3HD2 LEU 554 -4.169 -6.281 -1.377 333 HD22 LEU 554 1HD2 LEU 554 -3.161 -5.376 -2.508 334 HD23 LEU 554 2HD2 LEU 554 -4.356 -6.523 -3.114 335 H ILE 555 H ILE 555 -6.735 -2.570 -2.372 336 HA ILE 555 HA ILE 555 -8.575 -1.268 -2.126 337 HB ILE 555 HB ILE 555 -6.546 0.825 -2.859 338 HG12 ILE 555 2HG1 ILE 555 -6.686 1.436 -0.559 339 HG13 ILE 555 1HG1 ILE 555 -8.122 0.454 -0.311 340 HG21 ILE 555 1HG2 ILE 555 -9.487 1.213 -2.370 341 HG22 ILE 555 2HG2 ILE 555 -8.517 1.784 -3.728 342 HG23 ILE 555 3HG2 ILE 555 -8.304 2.500 -2.131 343 HD11 ILE 555 3HD1 ILE 555 -6.739 -1.556 -0.711 344 HD12 ILE 555 1HD1 ILE 555 -6.247 -0.620 0.694 345 HD13 ILE 555 2HD1 ILE 555 -5.321 -0.516 -0.800 346 H CYS 556 H CYS 556 -10.309 -1.279 -3.368 347 HA CYS 556 HA CYS 556 -10.209 -1.573 -6.162 348 HB2 CYS 556 2HB CYS 556 -12.554 -0.748 -4.439 349 HB3 CYS 556 1HB CYS 556 -12.654 -1.354 -6.088 350 H GLY 557 H GLY 557 -10.517 1.223 -4.102 351 HA2 GLY 557 2HA GLY 557 -9.694 3.335 -5.047 352 HA3 GLY 557 1HA GLY 557 -10.560 2.920 -6.520 353 H LEU 558 H LEU 558 -12.904 1.965 -5.175 354 HA LEU 558 HA LEU 558 -14.071 3.769 -3.408 355 HB2 LEU 558 2HB LEU 558 -15.261 5.280 -4.773 356 HB3 LEU 558 1HB LEU 558 -13.609 5.310 -5.359 357 HG LEU 558 HG LEU 558 -15.482 3.431 -6.669 358 HD11 LEU 558 1HD1 LEU 558 -16.811 5.476 -6.477 359 HD12 LEU 558 2HD1 LEU 558 -16.345 5.155 -8.149 360 HD13 LEU 558 3HD1 LEU 558 -15.500 6.394 -7.220 361 HD21 LEU 558 3HD2 LEU 558 -13.340 3.310 -7.525 362 HD22 LEU 558 1HD2 LEU 558 -13.091 5.055 -7.429 363 HD23 LEU 558 2HD2 LEU 558 -14.158 4.383 -8.662 364 H ARG 559 H ARG 559 -14.064 0.936 -4.496 365 HA ARG 559 HA ARG 559 -15.549 -0.792 -4.501 366 HB2 ARG 559 2HB ARG 559 -17.697 1.276 -4.003 367 HB3 ARG 559 1HB ARG 559 -17.849 -0.463 -3.805 368 HG2 ARG 559 2HG ARG 559 -17.413 -0.027 -1.664 369 HG3 ARG 559 1HG ARG 559 -15.738 0.038 -2.212 370 HD2 ARG 559 2HD ARG 559 -16.184 1.988 -0.871 371 HD3 ARG 559 1HD ARG 559 -15.999 2.487 -2.551 372 HE ARG 559 HE ARG 559 -18.170 3.196 -2.545 373 HH11 ARG 559 1HH1 ARG 559 -17.667 1.097 0.199 374 HH12 ARG 559 2HH1 ARG 559 -19.224 1.415 0.886 375 HH21 ARG 559 1HH2 ARG 559 -20.220 3.614 -1.641 376 HH22 ARG 559 2HH2 ARG 559 -20.674 2.843 -0.158 377 H GLN 560 H GLN 560 -16.281 -1.848 -6.197 378 HA GLN 560 HA GLN 560 -17.880 -0.555 -8.229 379 HB2 GLN 560 2HB GLN 560 -15.479 -0.054 -8.808 380 HB3 GLN 560 1HB GLN 560 -15.237 -1.785 -9.012 381 HG2 GLN 560 2HG GLN 560 -17.124 -1.705 -10.696 382 HG3 GLN 560 1HG GLN 560 -16.973 0.050 -10.626 383 HE21 GLN 560 1HE2 GLN 560 -15.319 1.040 -11.663 384 HE22 GLN 560 2HE2 GLN 560 -14.155 0.214 -12.637 Start of MODEL 16 1 H1 ALA 507 1HT ALA 507 -20.161 2.830 0.545 2 H2 ALA 507 2HT ALA 507 -19.165 4.229 0.548 3 H3 ALA 507 3HT ALA 507 -20.378 4.034 1.745 4 HA ALA 507 HA ALA 507 -18.239 3.589 2.639 5 HB1 ALA 507 2HB ALA 507 -18.741 1.074 3.197 6 HB2 ALA 507 3HB ALA 507 -20.261 1.417 2.370 7 HB3 ALA 507 1HB ALA 507 -19.795 2.359 3.787 8 H GLN 508 H GLN 508 -16.676 1.602 2.844 9 HA GLN 508 HA GLN 508 -15.301 1.434 0.327 10 HB2 GLN 508 2HB GLN 508 -14.685 0.965 3.132 11 HB3 GLN 508 1HB GLN 508 -14.011 -0.286 2.097 12 HG2 GLN 508 2HG GLN 508 -13.018 1.548 0.700 13 HG3 GLN 508 1HG GLN 508 -13.520 2.675 1.960 14 HE21 GLN 508 1HE2 GLN 508 -10.897 1.369 0.850 15 HE22 GLN 508 2HE2 GLN 508 -10.008 1.049 2.296 16 HA PRO 509 HA PRO 509 -16.780 -2.635 -0.683 17 HB2 PRO 509 2HB PRO 509 -15.270 -3.073 -2.846 18 HB3 PRO 509 1HB PRO 509 -16.469 -1.776 -2.816 19 HG2 PRO 509 2HG PRO 509 -13.524 -1.612 -2.708 20 HG3 PRO 509 1HG PRO 509 -14.698 -0.400 -3.239 21 HD2 PRO 509 2HD PRO 509 -13.390 -0.629 -0.677 22 HD3 PRO 509 1HD PRO 509 -14.518 0.626 -1.228 23 H LYS 510 H LYS 510 -14.389 -2.355 1.236 24 HA LYS 510 HA LYS 510 -12.896 -3.708 2.282 25 HB2 LYS 510 2HB LYS 510 -14.730 -5.675 0.960 26 HB3 LYS 510 1HB LYS 510 -13.330 -6.230 1.865 27 HG2 LYS 510 2HG LYS 510 -14.487 -4.454 3.598 28 HG3 LYS 510 1HG LYS 510 -15.881 -5.192 2.809 29 HD2 LYS 510 2HD LYS 510 -14.149 -7.313 3.358 30 HD3 LYS 510 1HD LYS 510 -14.091 -6.290 4.795 31 HE2 LYS 510 2HE LYS 510 -16.185 -6.821 5.394 32 HE3 LYS 510 1HE LYS 510 -16.789 -6.688 3.744 33 HZ1 LYS 510 3HZ LYS 510 -16.709 -8.979 4.983 34 HZ2 LYS 510 1HZ LYS 510 -15.114 -8.993 4.419 35 HZ3 LYS 510 2HZ LYS 510 -16.398 -8.877 3.324 36 H CYS 511 H CYS 511 -12.261 -2.664 -0.385 37 HA CYS 511 HA CYS 511 -10.542 -4.768 -1.479 38 HB2 CYS 511 2HB CYS 511 -12.047 -3.455 -3.001 39 HB3 CYS 511 1HB CYS 511 -11.092 -2.026 -2.624 40 H ASN 512 H ASN 512 -9.975 -3.380 1.051 41 HA ASN 512 HA ASN 512 -7.459 -2.046 0.309 42 HB2 ASN 512 2HB ASN 512 -7.573 -0.880 2.464 43 HB3 ASN 512 1HB ASN 512 -9.010 -0.563 1.497 44 HD21 ASN 512 1HD2 ASN 512 -10.980 -1.417 2.129 45 HD22 ASN 512 2HD2 ASN 512 -11.242 -2.058 3.712 46 HA PRO 513 HA PRO 513 -5.546 -5.437 2.395 47 HB2 PRO 513 2HB PRO 513 -2.973 -4.655 2.203 48 HB3 PRO 513 1HB PRO 513 -3.902 -5.224 0.813 49 HG2 PRO 513 2HG PRO 513 -3.097 -2.470 1.547 50 HG3 PRO 513 1HG PRO 513 -3.384 -3.175 -0.048 51 HD2 PRO 513 2HD PRO 513 -5.156 -1.551 1.434 52 HD3 PRO 513 1HD PRO 513 -5.527 -2.445 -0.049 53 H ASN 514 H ASN 514 -3.217 -2.993 3.327 54 HA ASN 514 HA ASN 514 -4.141 -3.130 6.117 55 HB2 ASN 514 2HB ASN 514 -1.554 -3.922 4.945 56 HB3 ASN 514 1HB ASN 514 -1.459 -2.950 6.408 57 HD21 ASN 514 1HD2 ASN 514 -3.189 -5.762 5.111 58 HD22 ASN 514 2HD2 ASN 514 -3.158 -6.675 6.577 59 H LEU 515 H LEU 515 -1.461 -1.667 4.355 60 HA LEU 515 HA LEU 515 -0.504 0.401 4.553 61 HB2 LEU 515 2HB LEU 515 -1.833 2.053 3.464 62 HB3 LEU 515 1HB LEU 515 -2.149 0.489 2.738 63 HG LEU 515 HG LEU 515 -4.112 0.679 4.656 64 HD11 LEU 515 1HD1 LEU 515 -3.274 3.366 3.881 65 HD12 LEU 515 2HD1 LEU 515 -4.285 2.835 5.225 66 HD13 LEU 515 3HD1 LEU 515 -4.991 3.051 3.624 67 HD21 LEU 515 3HD2 LEU 515 -4.159 -0.090 2.238 68 HD22 LEU 515 1HD2 LEU 515 -4.470 1.595 1.823 69 HD23 LEU 515 2HD2 LEU 515 -5.604 0.715 2.848 70 H HIS 516 H HIS 516 -0.950 -0.413 7.069 71 HA HIS 516 HA HIS 516 -2.329 1.751 8.469 72 HB2 HIS 516 2HB HIS 516 -1.536 -1.024 9.143 73 HB3 HIS 516 1HB HIS 516 -1.524 0.140 10.462 74 HD1 HIS 516 1HD HIS 516 -4.113 0.955 8.052 75 HD2 HIS 516 2HD HIS 516 -3.755 -1.559 11.341 76 HE1 HIS 516 1HE HIS 516 -6.468 0.378 8.717 77 HE2 HIS 516 2HE HIS 516 -6.226 -1.197 10.669 78 H TYR 517 H TYR 517 0.810 1.089 7.426 79 HA TYR 517 HA TYR 517 2.119 2.171 9.764 80 HB2 TYR 517 2HB TYR 517 4.195 1.837 8.628 81 HB3 TYR 517 1HB TYR 517 3.193 0.427 8.327 82 HD1 TYR 517 1HD TYR 517 3.715 3.763 6.695 83 HD2 TYR 517 2HD TYR 517 3.444 -0.456 6.220 84 HE1 TYR 517 1HE TYR 517 4.107 4.017 4.291 85 HE2 TYR 517 2HE TYR 517 3.832 -0.211 3.809 86 HH TYR 517 HH TYR 517 5.161 2.033 2.381 87 H TRP 518 H TRP 518 0.846 3.392 6.788 88 HA TRP 518 HA TRP 518 2.207 5.942 7.063 89 HB2 TRP 518 2HB TRP 518 1.487 4.573 4.851 90 HB3 TRP 518 1HB TRP 518 0.081 5.618 5.046 91 HD1 TRP 518 HD TRP 518 0.307 7.712 3.645 92 HE1 TRP 518 1HE TRP 518 2.215 9.287 2.931 93 HE3 TRP 518 3HE TRP 518 4.213 5.343 5.930 94 HZ2 TRP 518 2HZ TRP 518 5.004 9.493 3.288 95 HZ3 TRP 518 3HZ TRP 518 6.469 6.291 5.696 96 HH2 TRP 518 HH TRP 518 6.856 8.323 4.400 97 H THR 519 H THR 519 0.157 7.559 6.094 98 HA THR 519 HA THR 519 -1.703 7.538 8.368 99 HB THR 519 HB THR 519 -0.453 9.354 8.924 100 HG1 THR 519 1HG THR 519 -2.496 10.221 8.411 101 HG21 THR 519 3HG2 THR 519 0.063 10.071 6.056 102 HG22 THR 519 1HG2 THR 519 1.120 9.036 7.019 103 HG23 THR 519 2HG2 THR 519 0.855 10.718 7.494 104 H THR 520 H THR 520 -1.246 7.973 4.951 105 HA THR 520 HA THR 520 -3.898 7.436 4.298 106 HB THR 520 HB THR 520 -4.097 9.787 5.392 107 HG1 THR 520 1HG THR 520 -5.757 10.289 3.901 108 HG21 THR 520 3HG2 THR 520 -3.198 10.597 2.636 109 HG22 THR 520 1HG2 THR 520 -2.340 10.921 4.143 110 HG23 THR 520 2HG2 THR 520 -3.917 11.655 3.853 111 H GLN 521 H GLN 521 -1.220 9.535 3.241 112 HA GLN 521 HA GLN 521 -1.574 9.499 0.537 113 HB2 GLN 521 2HB GLN 521 0.438 10.312 2.209 114 HB3 GLN 521 1HB GLN 521 1.221 9.031 1.292 115 HG2 GLN 521 2HG GLN 521 0.383 10.187 -0.791 116 HG3 GLN 521 1HG GLN 521 -0.040 11.546 0.250 117 HE21 GLN 521 1HE2 GLN 521 1.403 13.089 0.010 118 HE22 GLN 521 2HE2 GLN 521 3.117 12.882 -0.064 119 H ASP 522 H ASP 522 -0.879 8.225 -1.186 120 HA ASP 522 HA ASP 522 -1.230 5.474 -0.908 121 HB2 ASP 522 2HB ASP 522 0.094 7.032 -3.136 122 HB3 ASP 522 1HB ASP 522 -0.367 5.335 -3.244 123 H GLU 523 H GLU 523 0.157 4.821 0.776 124 HA GLU 523 HA GLU 523 3.017 5.010 0.436 125 HB2 GLU 523 2HB GLU 523 3.159 3.895 2.561 126 HB3 GLU 523 1HB GLU 523 1.961 5.169 2.655 127 HG2 GLU 523 2HG GLU 523 1.067 2.395 2.048 128 HG3 GLU 523 1HG GLU 523 1.510 2.813 3.701 129 H GLY 524 H GLY 524 2.401 3.860 -1.731 130 HA2 GLY 524 2HA GLY 524 3.504 1.946 -2.740 131 HA3 GLY 524 1HA GLY 524 2.975 0.992 -1.357 132 H ALA 525 H ALA 525 0.634 3.182 -2.295 133 HA ALA 525 HA ALA 525 -1.201 1.191 -3.075 134 HB1 ALA 525 1HB ALA 525 -1.761 4.010 -3.775 135 HB2 ALA 525 2HB ALA 525 -1.474 3.648 -2.074 136 HB3 ALA 525 3HB ALA 525 -2.769 2.825 -2.945 137 H ALA 526 H ALA 526 0.645 0.572 -4.823 138 HA ALA 526 HA ALA 526 1.204 0.328 -7.007 139 HB1 ALA 526 1HB ALA 526 -0.721 0.332 -8.589 140 HB2 ALA 526 2HB ALA 526 -1.732 0.937 -7.276 141 HB3 ALA 526 3HB ALA 526 -0.973 -0.650 -7.146 142 H ILE 527 H ILE 527 2.619 2.038 -7.139 143 HA ILE 527 HA ILE 527 2.151 3.896 -9.165 144 HB ILE 527 HB ILE 527 0.781 5.013 -7.550 145 HG12 ILE 527 2HG1 ILE 527 3.374 6.552 -7.603 146 HG13 ILE 527 1HG1 ILE 527 2.395 6.329 -9.050 147 HG21 ILE 527 1HG2 ILE 527 3.119 5.292 -5.719 148 HG22 ILE 527 2HG2 ILE 527 2.023 3.911 -5.632 149 HG23 ILE 527 3HG2 ILE 527 1.406 5.547 -5.379 150 HD11 ILE 527 3HD1 ILE 527 1.040 7.975 -8.462 151 HD12 ILE 527 1HD1 ILE 527 2.171 8.347 -7.160 152 HD13 ILE 527 2HD1 ILE 527 0.795 7.287 -6.856 153 H GLY 528 H GLY 528 3.908 3.436 -6.114 154 HA2 GLY 528 2HA GLY 528 6.149 3.398 -5.633 155 HA3 GLY 528 1HA GLY 528 6.386 2.929 -7.302 156 H ALA 529 H ALA 529 5.048 5.664 -8.010 157 HA ALA 529 HA ALA 529 5.863 7.643 -8.784 158 HB1 ALA 529 1HB ALA 529 6.395 9.153 -7.121 159 HB2 ALA 529 2HB ALA 529 7.311 7.968 -6.191 160 HB3 ALA 529 3HB ALA 529 5.549 7.898 -6.214 161 H ALA 530 H ALA 530 7.491 5.312 -9.353 162 HA ALA 530 HA ALA 530 9.639 6.315 -10.666 163 HB1 ALA 530 1HB ALA 530 11.308 5.290 -8.664 164 HB2 ALA 530 2HB ALA 530 10.166 6.336 -7.822 165 HB3 ALA 530 3HB ALA 530 11.139 6.980 -9.145 166 H TRP 531 H TRP 531 7.948 4.337 -11.176 167 HA TRP 531 HA TRP 531 7.592 2.044 -11.344 168 HB2 TRP 531 2HB TRP 531 9.627 1.108 -12.705 169 HB3 TRP 531 1HB TRP 531 8.534 2.288 -13.422 170 HD1 TRP 531 HD TRP 531 11.699 2.668 -11.212 171 HE1 TRP 531 1HE TRP 531 13.259 4.377 -12.344 172 HE3 TRP 531 3HE TRP 531 8.897 3.692 -15.359 173 HZ2 TRP 531 2HZ TRP 531 13.292 5.952 -14.689 174 HZ3 TRP 531 3HZ TRP 531 9.762 5.311 -16.999 175 HH2 TRP 531 HH TRP 531 11.914 6.417 -16.668 176 H ILE 532 H ILE 532 8.318 2.466 -8.847 177 HA ILE 532 HA ILE 532 9.993 0.145 -8.287 178 HB ILE 532 HB ILE 532 11.275 2.226 -8.078 179 HG12 ILE 532 2HG1 ILE 532 10.770 1.130 -5.310 180 HG13 ILE 532 1HG1 ILE 532 11.568 0.168 -6.546 181 HG21 ILE 532 1HG2 ILE 532 9.003 3.353 -7.262 182 HG22 ILE 532 2HG2 ILE 532 10.594 4.030 -6.888 183 HG23 ILE 532 3HG2 ILE 532 9.743 3.058 -5.685 184 HD11 ILE 532 3HD1 ILE 532 12.588 2.886 -5.851 185 HD12 ILE 532 1HD1 ILE 532 13.444 1.513 -6.553 186 HD13 ILE 532 2HD1 ILE 532 12.986 1.488 -4.850 187 HA PRO 533 HA PRO 533 6.098 0.955 -5.512 188 HB2 PRO 533 2HB PRO 533 4.111 -0.301 -6.905 189 HB3 PRO 533 1HB PRO 533 4.397 1.438 -6.972 190 HG2 PRO 533 2HG PRO 533 5.210 -0.686 -8.900 191 HG3 PRO 533 1HG PRO 533 4.606 0.949 -9.220 192 HD2 PRO 533 2HD PRO 533 7.224 0.293 -9.382 193 HD3 PRO 533 1HD PRO 533 6.657 1.906 -8.903 194 H TYR 534 H TYR 534 7.444 -1.507 -7.433 195 HA TYR 534 HA TYR 534 6.356 -3.838 -6.403 196 HB2 TYR 534 2HB TYR 534 9.172 -3.286 -7.376 197 HB3 TYR 534 1HB TYR 534 8.471 -4.888 -7.167 198 HD1 TYR 534 1HD TYR 534 8.266 -1.753 -9.189 199 HD2 TYR 534 2HD TYR 534 7.025 -5.822 -8.792 200 HE1 TYR 534 1HE TYR 534 7.370 -1.709 -11.472 201 HE2 TYR 534 2HE TYR 534 6.131 -5.770 -11.080 202 HH TYR 534 HH TYR 534 5.600 -2.960 -12.787 203 H PHE 535 H PHE 535 9.353 -2.173 -5.415 204 HA PHE 535 HA PHE 535 8.945 -3.229 -2.706 205 HB2 PHE 535 2HB PHE 535 11.622 -3.061 -4.088 206 HB3 PHE 535 1HB PHE 535 11.317 -3.677 -2.469 207 HD1 PHE 535 2HD PHE 535 9.108 -5.447 -2.713 208 HD2 PHE 535 1HD PHE 535 12.283 -4.772 -5.466 209 HE1 PHE 535 2HE PHE 535 8.787 -7.706 -3.633 210 HE2 PHE 535 1HE PHE 535 11.966 -7.029 -6.392 211 HZ PHE 535 HZ PHE 535 10.217 -8.500 -5.474 212 H GLY 536 H GLY 536 8.890 -0.532 -4.409 213 HA2 GLY 536 2HA GLY 536 10.715 1.255 -3.284 214 HA3 GLY 536 1HA GLY 536 9.134 1.697 -3.919 215 HA PRO 537 HA PRO 537 8.162 2.610 0.356 216 HB2 PRO 537 2HB PRO 537 5.662 3.415 0.057 217 HB3 PRO 537 1HB PRO 537 6.951 4.328 -0.752 218 HG2 PRO 537 2HG PRO 537 5.214 2.147 -1.879 219 HG3 PRO 537 1HG PRO 537 5.479 3.780 -2.534 220 HD2 PRO 537 2HD PRO 537 6.851 1.611 -3.395 221 HD3 PRO 537 1HD PRO 537 7.587 3.229 -3.331 222 H ALA 538 H ALA 538 7.918 -0.094 -0.903 223 HA ALA 538 HA ALA 538 5.822 -1.213 0.784 224 HB1 ALA 538 1HB ALA 538 5.502 -1.263 -1.786 225 HB2 ALA 538 2HB ALA 538 5.254 -2.756 -0.879 226 HB3 ALA 538 3HB ALA 538 6.762 -2.498 -1.761 227 H ALA 539 H ALA 539 9.055 -1.164 -0.379 228 HA ALA 539 HA ALA 539 9.862 -2.969 1.711 229 HB1 ALA 539 1HB ALA 539 9.710 -4.740 0.339 230 HB2 ALA 539 2HB ALA 539 11.300 -4.179 -0.179 231 HB3 ALA 539 3HB ALA 539 9.869 -3.762 -1.119 232 H GLU 540 H GLU 540 10.366 -0.117 0.537 233 HA GLU 540 HA GLU 540 13.203 -0.112 0.019 234 HB2 GLU 540 2HB GLU 540 13.019 2.331 0.202 235 HB3 GLU 540 1HB GLU 540 11.812 1.674 -0.891 236 HG2 GLU 540 2HG GLU 540 10.246 1.720 1.143 237 HG3 GLU 540 1HG GLU 540 11.447 2.794 1.859 238 H GLY 541 H GLY 541 13.151 -1.563 2.093 239 HA2 GLY 541 2HA GLY 541 14.400 -1.620 4.108 240 HA3 GLY 541 1HA GLY 541 14.094 0.106 4.308 241 H ILE 542 H ILE 542 11.266 -0.985 3.289 242 HA ILE 542 HA ILE 542 9.990 -0.831 5.813 243 HB ILE 542 HB ILE 542 9.191 -0.979 2.996 244 HG12 ILE 542 2HG1 ILE 542 7.852 0.190 5.440 245 HG13 ILE 542 1HG1 ILE 542 9.077 1.012 4.478 246 HG21 ILE 542 1HG2 ILE 542 7.530 -2.385 5.077 247 HG22 ILE 542 2HG2 ILE 542 8.077 -2.996 3.512 248 HG23 ILE 542 3HG2 ILE 542 6.849 -1.728 3.588 249 HD11 ILE 542 3HD1 ILE 542 7.134 0.161 2.666 250 HD12 ILE 542 1HD1 ILE 542 7.454 1.806 3.215 251 HD13 ILE 542 2HD1 ILE 542 6.259 0.817 4.051 252 H TYR 543 H TYR 543 10.704 -3.484 3.567 253 HA TYR 543 HA TYR 543 9.303 -5.558 4.626 254 HB2 TYR 543 2HB TYR 543 11.111 -7.058 3.857 255 HB3 TYR 543 1HB TYR 543 10.675 -5.844 2.659 256 HD1 TYR 543 2HD TYR 543 12.135 -3.822 2.421 257 HD2 TYR 543 1HD TYR 543 13.312 -7.231 4.651 258 HE1 TYR 543 2HE TYR 543 14.484 -3.095 2.264 259 HE2 TYR 543 1HE TYR 543 15.668 -6.525 4.511 260 HH TYR 543 HH TYR 543 16.861 -4.520 2.407 261 H ALA 544 H ALA 544 12.024 -3.951 6.064 262 HA ALA 544 HA ALA 544 12.941 -5.823 7.886 263 HB1 ALA 544 1HB ALA 544 12.610 -2.870 8.363 264 HB2 ALA 544 2HB ALA 544 13.959 -3.617 7.508 265 HB3 ALA 544 3HB ALA 544 13.705 -3.956 9.220 266 H GLU 545 H GLU 545 9.894 -4.306 7.740 267 HA GLU 545 HA GLU 545 9.044 -4.165 10.365 268 HB2 GLU 545 2HB GLU 545 6.755 -4.707 9.323 269 HB3 GLU 545 1HB GLU 545 7.593 -3.280 8.728 270 HG2 GLU 545 2HG GLU 545 6.984 -4.179 6.744 271 HG3 GLU 545 1HG GLU 545 8.511 -5.029 6.956 272 H GLY 546 H GLY 546 9.021 -6.848 8.096 273 HA2 GLY 546 2HA GLY 546 8.733 -9.093 8.362 274 HA3 GLY 546 1HA GLY 546 9.647 -8.852 9.837 275 H LEU 547 H LEU 547 6.290 -8.061 8.825 276 HA LEU 547 HA LEU 547 5.138 -9.980 10.539 277 HB2 LEU 547 2HB LEU 547 4.399 -8.770 12.377 278 HB3 LEU 547 1HB LEU 547 6.066 -8.276 12.177 279 HG LEU 547 HG LEU 547 3.779 -6.643 11.098 280 HD11 LEU 547 1HD1 LEU 547 4.781 -6.912 13.862 281 HD12 LEU 547 2HD1 LEU 547 3.192 -6.430 13.268 282 HD13 LEU 547 3HD1 LEU 547 4.521 -5.271 13.268 283 HD21 LEU 547 3HD2 LEU 547 5.332 -4.974 10.774 284 HD22 LEU 547 1HD2 LEU 547 6.282 -6.413 10.407 285 HD23 LEU 547 2HD2 LEU 547 6.443 -5.629 11.978 286 H MET 548 H MET 548 4.608 -6.798 9.035 287 HA MET 548 HA MET 548 2.563 -7.709 7.356 288 HB2 MET 548 2HB MET 548 0.589 -6.646 8.404 289 HB3 MET 548 1HB MET 548 1.222 -7.987 9.350 290 HG2 MET 548 2HG MET 548 1.762 -6.678 11.089 291 HG3 MET 548 1HG MET 548 2.299 -5.351 10.059 292 HE1 MET 548 3HE MET 548 -1.813 -6.622 9.911 293 HE2 MET 548 1HE MET 548 -1.745 -6.414 11.661 294 HE3 MET 548 2HE MET 548 -0.599 -7.485 10.854 295 H HIS 549 H HIS 549 4.053 -5.037 9.047 296 HA HIS 549 HA HIS 549 2.987 -2.850 7.769 297 HB2 HIS 549 2HB HIS 549 5.383 -3.431 9.276 298 HB3 HIS 549 1HB HIS 549 5.703 -2.244 8.014 299 HD1 HIS 549 1HD HIS 549 2.320 -2.278 9.517 300 HD2 HIS 549 2HD HIS 549 5.908 -0.249 10.028 301 HE1 HIS 549 1HE HIS 549 1.766 -0.291 10.941 302 HE2 HIS 549 2HE HIS 549 3.973 0.860 11.339 303 H ASN 550 H ASN 550 4.768 -5.342 6.255 304 HA ASN 550 HA ASN 550 6.010 -3.819 4.208 305 HB2 ASN 550 2HB ASN 550 6.744 -6.092 4.795 306 HB3 ASN 550 1HB ASN 550 5.211 -6.736 4.212 307 HD21 ASN 550 1HD2 ASN 550 5.050 -7.279 2.144 308 HD22 ASN 550 2HD2 ASN 550 6.213 -6.915 0.919 309 H GLN 551 H GLN 551 2.843 -3.996 4.797 310 HA GLN 551 HA GLN 551 1.495 -4.774 2.541 311 HB2 GLN 551 2HB GLN 551 -0.168 -2.991 3.197 312 HB3 GLN 551 1HB GLN 551 0.285 -4.112 4.475 313 HG2 GLN 551 2HG GLN 551 2.066 -1.878 4.497 314 HG3 GLN 551 1HG GLN 551 0.401 -1.305 4.508 315 HE21 GLN 551 1HE2 GLN 551 1.494 -0.600 6.658 316 HE22 GLN 551 2HE2 GLN 551 1.187 -1.641 8.003 317 H ASP 552 H ASP 552 0.182 -2.921 1.251 318 HA ASP 552 HA ASP 552 2.132 -1.047 0.090 319 HB2 ASP 552 2HB ASP 552 0.388 -3.033 -1.354 320 HB3 ASP 552 1HB ASP 552 1.000 -1.588 -2.154 321 H GLY 553 H GLY 553 -1.320 -1.958 -0.218 322 HA2 GLY 553 2HA GLY 553 -2.984 -0.393 0.693 323 HA3 GLY 553 1HA GLY 553 -1.952 0.910 0.128 324 H LEU 554 H LEU 554 -2.984 -2.052 -1.547 325 HA LEU 554 HA LEU 554 -3.321 -1.041 -4.027 326 HB2 LEU 554 2HB LEU 554 -5.312 -2.756 -4.181 327 HB3 LEU 554 1HB LEU 554 -3.648 -3.286 -4.049 328 HG LEU 554 HG LEU 554 -4.665 -2.997 -1.414 329 HD11 LEU 554 1HD1 LEU 554 -6.803 -3.433 -3.044 330 HD12 LEU 554 2HD1 LEU 554 -6.707 -3.901 -1.347 331 HD13 LEU 554 3HD1 LEU 554 -6.332 -5.076 -2.609 332 HD21 LEU 554 3HD2 LEU 554 -2.879 -4.495 -2.021 333 HD22 LEU 554 1HD2 LEU 554 -3.958 -5.406 -3.076 334 HD23 LEU 554 2HD2 LEU 554 -4.210 -5.424 -1.331 335 H ILE 555 H ILE 555 -6.249 -1.590 -2.080 336 HA ILE 555 HA ILE 555 -8.221 -0.459 -1.956 337 HB ILE 555 HB ILE 555 -6.733 2.032 -2.741 338 HG12 ILE 555 2HG1 ILE 555 -5.358 1.171 -1.032 339 HG13 ILE 555 1HG1 ILE 555 -6.419 2.318 -0.224 340 HG21 ILE 555 1HG2 ILE 555 -8.499 2.641 -0.736 341 HG22 ILE 555 2HG2 ILE 555 -9.357 1.405 -1.655 342 HG23 ILE 555 3HG2 ILE 555 -8.783 2.863 -2.462 343 HD11 ILE 555 3HD1 ILE 555 -6.187 -0.578 0.074 344 HD12 ILE 555 1HD1 ILE 555 -7.836 0.038 0.024 345 HD13 ILE 555 2HD1 ILE 555 -6.703 0.648 1.230 346 H CYS 556 H CYS 556 -9.671 -0.911 -3.482 347 HA CYS 556 HA CYS 556 -9.226 -0.723 -6.247 348 HB2 CYS 556 2HB CYS 556 -11.682 -1.046 -4.552 349 HB3 CYS 556 1HB CYS 556 -11.831 -0.833 -6.294 350 H GLY 557 H GLY 557 -10.531 1.542 -3.924 351 HA2 GLY 557 2HA GLY 557 -10.384 3.903 -4.283 352 HA3 GLY 557 1HA GLY 557 -10.509 3.609 -6.013 353 H LEU 558 H LEU 558 -12.690 1.776 -5.808 354 HA LEU 558 HA LEU 558 -14.927 2.620 -4.458 355 HB2 LEU 558 2HB LEU 558 -16.038 4.149 -5.880 356 HB3 LEU 558 1HB LEU 558 -14.415 4.771 -5.674 357 HG LEU 558 HG LEU 558 -15.005 3.044 -8.022 358 HD11 LEU 558 1HD1 LEU 558 -15.673 5.975 -7.836 359 HD12 LEU 558 2HD1 LEU 558 -16.813 4.648 -8.063 360 HD13 LEU 558 3HD1 LEU 558 -15.640 5.028 -9.323 361 HD21 LEU 558 3HD2 LEU 558 -12.802 3.503 -8.101 362 HD22 LEU 558 1HD2 LEU 558 -12.964 5.002 -7.185 363 HD23 LEU 558 2HD2 LEU 558 -13.380 4.968 -8.900 364 H ARG 559 H ARG 559 -13.602 0.352 -5.916 365 HA ARG 559 HA ARG 559 -14.292 -1.578 -6.911 366 HB2 ARG 559 2HB ARG 559 -17.048 -0.362 -7.105 367 HB3 ARG 559 1HB ARG 559 -16.623 -2.066 -7.182 368 HG2 ARG 559 2HG ARG 559 -17.114 -2.142 -5.028 369 HG3 ARG 559 1HG ARG 559 -15.594 -1.285 -4.768 370 HD2 ARG 559 2HD ARG 559 -17.478 -0.196 -3.616 371 HD3 ARG 559 1HD ARG 559 -16.753 0.850 -4.836 372 HE ARG 559 HE ARG 559 -18.738 0.846 -5.958 373 HH11 ARG 559 1HH1 ARG 559 -18.719 -1.841 -3.728 374 HH12 ARG 559 2HH1 ARG 559 -20.372 -2.262 -4.026 375 HH21 ARG 559 1HH2 ARG 559 -20.914 0.294 -6.349 376 HH22 ARG 559 2HH2 ARG 559 -21.617 -1.051 -5.514 377 H GLN 560 H GLN 560 -14.162 -2.270 -8.944 378 HA GLN 560 HA GLN 560 -15.167 -0.726 -11.161 379 HB2 GLN 560 2HB GLN 560 -12.960 0.330 -10.576 380 HB3 GLN 560 1HB GLN 560 -12.191 -1.202 -10.975 381 HG2 GLN 560 2HG GLN 560 -13.441 -0.920 -13.237 382 HG3 GLN 560 1HG GLN 560 -13.517 0.777 -12.764 383 HE21 GLN 560 1HE2 GLN 560 -11.299 -1.919 -13.268 384 HE22 GLN 560 2HE2 GLN 560 -9.941 -0.953 -13.723 Start of MODEL 17 1 H1 ALA 507 1HT ALA 507 -14.390 7.151 -0.297 2 H2 ALA 507 2HT ALA 507 -14.560 6.116 1.062 3 H3 ALA 507 3HT ALA 507 -15.458 7.577 0.975 4 HA ALA 507 HA ALA 507 -16.961 5.965 0.445 5 HB1 ALA 507 2HB ALA 507 -16.114 6.573 -2.333 6 HB2 ALA 507 3HB ALA 507 -16.459 7.933 -1.263 7 HB3 ALA 507 1HB ALA 507 -17.699 6.718 -1.571 8 H GLN 508 H GLN 508 -15.167 4.217 1.166 9 HA GLN 508 HA GLN 508 -14.747 2.421 -1.128 10 HB2 GLN 508 2HB GLN 508 -13.367 2.198 1.540 11 HB3 GLN 508 1HB GLN 508 -12.908 1.453 0.015 12 HG2 GLN 508 2HG GLN 508 -11.382 3.143 0.142 13 HG3 GLN 508 1HG GLN 508 -12.663 3.931 -0.778 14 HE21 GLN 508 1HE2 GLN 508 -11.772 5.932 -0.058 15 HE22 GLN 508 2HE2 GLN 508 -12.134 6.531 1.522 16 HA PRO 509 HA PRO 509 -17.415 -0.465 0.940 17 HB2 PRO 509 2HB PRO 509 -16.919 -2.637 -0.562 18 HB3 PRO 509 1HB PRO 509 -17.704 -1.204 -1.231 19 HG2 PRO 509 2HG PRO 509 -14.993 -2.233 -1.697 20 HG3 PRO 509 1HG PRO 509 -15.950 -1.110 -2.673 21 HD2 PRO 509 2HD PRO 509 -13.867 -0.518 -0.745 22 HD3 PRO 509 1HD PRO 509 -14.718 0.595 -1.834 23 H LYS 510 H LYS 510 -14.528 -0.215 1.957 24 HA LYS 510 HA LYS 510 -13.190 -1.223 3.485 25 HB2 LYS 510 2HB LYS 510 -15.778 -2.687 3.892 26 HB3 LYS 510 1HB LYS 510 -14.349 -3.091 4.829 27 HG2 LYS 510 2HG LYS 510 -14.566 -0.316 4.990 28 HG3 LYS 510 1HG LYS 510 -16.211 -0.927 5.168 29 HD2 LYS 510 2HD LYS 510 -15.782 -1.848 7.178 30 HD3 LYS 510 1HD LYS 510 -14.181 -2.406 6.690 31 HE2 LYS 510 2HE LYS 510 -14.318 0.486 6.877 32 HE3 LYS 510 1HE LYS 510 -14.753 -0.297 8.396 33 HZ1 LYS 510 3HZ LYS 510 -12.470 -0.071 8.535 34 HZ2 LYS 510 1HZ LYS 510 -12.214 -0.447 6.904 35 HZ3 LYS 510 2HZ LYS 510 -12.640 -1.666 7.998 36 H CYS 511 H CYS 511 -12.117 -1.939 1.376 37 HA CYS 511 HA CYS 511 -11.726 -4.832 1.537 38 HB2 CYS 511 2HB CYS 511 -11.702 -4.990 -0.951 39 HB3 CYS 511 1HB CYS 511 -13.288 -4.607 -0.290 40 H ASN 512 H ASN 512 -10.211 -2.469 2.385 41 HA ASN 512 HA ASN 512 -7.977 -2.290 0.560 42 HB2 ASN 512 2HB ASN 512 -7.015 -0.775 2.275 43 HB3 ASN 512 1HB ASN 512 -8.631 -0.289 1.771 44 HD21 ASN 512 1HD2 ASN 512 -10.363 -0.567 3.193 45 HD22 ASN 512 2HD2 ASN 512 -10.118 -0.789 4.889 46 HA PRO 513 HA PRO 513 -5.513 -5.440 2.367 47 HB2 PRO 513 2HB PRO 513 -3.000 -4.486 2.018 48 HB3 PRO 513 1HB PRO 513 -3.997 -5.080 0.687 49 HG2 PRO 513 2HG PRO 513 -3.441 -2.270 1.531 50 HG3 PRO 513 1HG PRO 513 -3.573 -2.947 -0.097 51 HD2 PRO 513 2HD PRO 513 -5.568 -1.546 1.144 52 HD3 PRO 513 1HD PRO 513 -5.851 -2.755 -0.123 53 H ASN 514 H ASN 514 -3.300 -2.856 3.224 54 HA ASN 514 HA ASN 514 -3.922 -3.218 6.075 55 HB2 ASN 514 2HB ASN 514 -1.421 -3.734 4.611 56 HB3 ASN 514 1HB ASN 514 -1.231 -2.776 6.074 57 HD21 ASN 514 1HD2 ASN 514 -2.266 -5.846 4.773 58 HD22 ASN 514 2HD2 ASN 514 -2.212 -6.719 6.263 59 H LEU 515 H LEU 515 -1.641 -1.426 4.079 60 HA LEU 515 HA LEU 515 -0.847 0.711 4.276 61 HB2 LEU 515 2HB LEU 515 -2.431 2.242 3.373 62 HB3 LEU 515 1HB LEU 515 -2.680 0.665 2.647 63 HG LEU 515 HG LEU 515 -4.426 0.650 4.779 64 HD11 LEU 515 1HD1 LEU 515 -3.791 3.317 4.436 65 HD12 LEU 515 2HD1 LEU 515 -5.224 2.678 5.243 66 HD13 LEU 515 3HD1 LEU 515 -5.297 3.123 3.539 67 HD21 LEU 515 3HD2 LEU 515 -6.158 0.970 2.995 68 HD22 LEU 515 1HD2 LEU 515 -4.963 -0.285 2.665 69 HD23 LEU 515 2HD2 LEU 515 -4.837 1.284 1.868 70 H HIS 516 H HIS 516 -0.961 -0.202 6.804 71 HA HIS 516 HA HIS 516 -2.319 1.870 8.371 72 HB2 HIS 516 2HB HIS 516 -1.257 -0.856 9.046 73 HB3 HIS 516 1HB HIS 516 -1.587 0.323 10.311 74 HD1 HIS 516 1HD HIS 516 -4.099 1.051 8.000 75 HD2 HIS 516 2HD HIS 516 -3.478 -2.123 10.611 76 HE1 HIS 516 1HE HIS 516 -6.358 -0.006 8.324 77 HE2 HIS 516 2HE HIS 516 -5.972 -1.869 9.975 78 H TYR 517 H TYR 517 0.724 1.249 7.073 79 HA TYR 517 HA TYR 517 2.153 2.432 9.322 80 HB2 TYR 517 2HB TYR 517 4.140 1.710 8.350 81 HB3 TYR 517 1HB TYR 517 3.008 0.459 7.855 82 HD1 TYR 517 1HD TYR 517 4.257 3.757 6.582 83 HD2 TYR 517 2HD TYR 517 3.166 -0.254 5.667 84 HE1 TYR 517 1HE TYR 517 4.871 4.132 4.241 85 HE2 TYR 517 2HE TYR 517 3.779 0.112 3.319 86 HH TYR 517 HH TYR 517 5.426 2.991 2.272 87 H TRP 518 H TRP 518 0.866 3.312 6.238 88 HA TRP 518 HA TRP 518 2.167 5.933 6.417 89 HB2 TRP 518 2HB TRP 518 2.332 4.320 4.316 90 HB3 TRP 518 1HB TRP 518 0.786 5.066 3.932 91 HD1 TRP 518 HD TRP 518 0.989 7.139 2.486 92 HE1 TRP 518 1HE TRP 518 2.783 8.933 2.046 93 HE3 TRP 518 3HE TRP 518 4.546 5.547 5.788 94 HZ2 TRP 518 2HZ TRP 518 5.367 9.585 2.981 95 HZ3 TRP 518 3HZ TRP 518 6.650 6.810 5.957 96 HH2 TRP 518 HH TRP 518 7.051 8.787 4.581 97 H THR 519 H THR 519 0.995 7.606 6.830 98 HA THR 519 HA THR 519 -1.247 8.047 7.960 99 HB THR 519 HB THR 519 -0.130 9.949 7.170 100 HG1 THR 519 1HG THR 519 -2.509 10.073 7.201 101 HG21 THR 519 3HG2 THR 519 0.249 8.607 4.816 102 HG22 THR 519 1HG2 THR 519 0.668 10.293 5.128 103 HG23 THR 519 2HG2 THR 519 -0.870 9.894 4.362 104 H THR 520 H THR 520 -1.419 7.607 4.408 105 HA THR 520 HA THR 520 -3.623 5.894 4.455 106 HB THR 520 HB THR 520 -4.637 8.113 5.336 107 HG1 THR 520 1HG THR 520 -5.871 6.879 3.109 108 HG21 THR 520 3HG2 THR 520 -4.614 8.728 2.389 109 HG22 THR 520 1HG2 THR 520 -3.752 9.622 3.642 110 HG23 THR 520 2HG2 THR 520 -5.515 9.602 3.631 111 H GLN 521 H GLN 521 -2.289 8.646 2.636 112 HA GLN 521 HA GLN 521 -3.045 8.086 0.097 113 HB2 GLN 521 2HB GLN 521 -0.911 9.071 -0.673 114 HB3 GLN 521 1HB GLN 521 -1.693 10.017 0.586 115 HG2 GLN 521 2HG GLN 521 -0.166 8.902 2.232 116 HG3 GLN 521 1HG GLN 521 0.696 8.216 0.855 117 HE21 GLN 521 1HE2 GLN 521 0.683 10.682 3.013 118 HE22 GLN 521 2HE2 GLN 521 1.608 11.847 2.135 119 H ASP 522 H ASP 522 -2.134 6.988 -1.683 120 HA ASP 522 HA ASP 522 -1.643 4.313 -1.333 121 HB2 ASP 522 2HB ASP 522 -0.970 6.176 -3.597 122 HB3 ASP 522 1HB ASP 522 -0.598 4.457 -3.686 123 H GLU 523 H GLU 523 -0.116 3.858 0.223 124 HA GLU 523 HA GLU 523 2.602 4.834 -0.124 125 HB2 GLU 523 2HB GLU 523 3.047 3.707 2.004 126 HB3 GLU 523 1HB GLU 523 1.693 4.816 2.114 127 HG2 GLU 523 2HG GLU 523 1.088 1.975 1.534 128 HG3 GLU 523 1HG GLU 523 1.625 2.384 3.164 129 H GLY 524 H GLY 524 2.461 3.600 -2.247 130 HA2 GLY 524 2HA GLY 524 3.969 1.970 -3.191 131 HA3 GLY 524 1HA GLY 524 3.613 0.924 -1.820 132 H ALA 525 H ALA 525 0.916 2.579 -2.963 133 HA ALA 525 HA ALA 525 -0.428 0.222 -3.727 134 HB1 ALA 525 1HB ALA 525 -1.459 2.869 -4.591 135 HB2 ALA 525 2HB ALA 525 -1.288 2.563 -2.862 136 HB3 ALA 525 3HB ALA 525 -2.306 1.512 -3.847 137 H ALA 526 H ALA 526 1.611 -0.101 -5.317 138 HA ALA 526 HA ALA 526 2.333 -0.397 -7.439 139 HB1 ALA 526 1HB ALA 526 0.423 -1.688 -7.822 140 HB2 ALA 526 2HB ALA 526 0.466 -0.559 -9.177 141 HB3 ALA 526 3HB ALA 526 -0.636 -0.278 -7.829 142 H ILE 527 H ILE 527 3.514 1.504 -7.492 143 HA ILE 527 HA ILE 527 2.970 3.205 -9.648 144 HB ILE 527 HB ILE 527 1.370 4.208 -8.197 145 HG12 ILE 527 2HG1 ILE 527 3.757 6.042 -8.055 146 HG13 ILE 527 1HG1 ILE 527 2.977 5.661 -9.588 147 HG21 ILE 527 1HG2 ILE 527 3.452 4.852 -6.172 148 HG22 ILE 527 2HG2 ILE 527 2.615 3.298 -6.150 149 HG23 ILE 527 3HG2 ILE 527 1.697 4.799 -5.997 150 HD11 ILE 527 3HD1 ILE 527 0.820 6.418 -8.282 151 HD12 ILE 527 1HD1 ILE 527 1.894 7.585 -9.054 152 HD13 ILE 527 2HD1 ILE 527 2.005 7.299 -7.317 153 H GLY 528 H GLY 528 4.568 3.107 -6.476 154 HA2 GLY 528 2HA GLY 528 6.757 3.382 -5.854 155 HA3 GLY 528 1HA GLY 528 7.159 2.829 -7.467 156 H ALA 529 H ALA 529 5.578 5.328 -8.474 157 HA ALA 529 HA ALA 529 6.281 7.293 -9.405 158 HB1 ALA 529 1HB ALA 529 7.285 8.244 -6.800 159 HB2 ALA 529 2HB ALA 529 5.632 7.627 -6.822 160 HB3 ALA 529 3HB ALA 529 6.094 8.954 -7.890 161 H ALA 530 H ALA 530 8.293 5.277 -9.614 162 HA ALA 530 HA ALA 530 10.462 6.535 -10.601 163 HB1 ALA 530 1HB ALA 530 10.518 6.687 -7.692 164 HB2 ALA 530 2HB ALA 530 11.504 7.535 -8.882 165 HB3 ALA 530 3HB ALA 530 11.957 5.914 -8.355 166 H TRP 531 H TRP 531 9.272 4.319 -11.318 167 HA TRP 531 HA TRP 531 9.298 1.985 -11.408 168 HB2 TRP 531 2HB TRP 531 11.703 1.347 -12.219 169 HB3 TRP 531 1HB TRP 531 10.638 2.313 -13.235 170 HD1 TRP 531 HD TRP 531 13.137 3.247 -10.428 171 HE1 TRP 531 1HE TRP 531 14.640 5.153 -11.296 172 HE3 TRP 531 3HE TRP 531 11.205 3.709 -15.130 173 HZ2 TRP 531 2HZ TRP 531 14.958 6.649 -13.671 174 HZ3 TRP 531 3HZ TRP 531 12.162 5.399 -16.640 175 HH2 TRP 531 HH TRP 531 13.999 6.839 -15.925 176 H ILE 532 H ILE 532 9.354 2.622 -8.869 177 HA ILE 532 HA ILE 532 11.154 0.624 -7.757 178 HB ILE 532 HB ILE 532 12.063 2.858 -7.404 179 HG12 ILE 532 2HG1 ILE 532 11.413 2.584 -4.655 180 HG13 ILE 532 1HG1 ILE 532 11.410 0.958 -5.330 181 HG21 ILE 532 1HG2 ILE 532 10.854 4.625 -6.740 182 HG22 ILE 532 2HG2 ILE 532 9.960 3.694 -5.537 183 HG23 ILE 532 3HG2 ILE 532 9.472 3.642 -7.234 184 HD11 ILE 532 3HD1 ILE 532 13.575 1.607 -4.381 185 HD12 ILE 532 1HD1 ILE 532 13.679 2.916 -5.561 186 HD13 ILE 532 2HD1 ILE 532 13.671 1.239 -6.105 187 HA PRO 533 HA PRO 533 6.640 0.898 -6.047 188 HB2 PRO 533 2HB PRO 533 5.152 -0.515 -7.813 189 HB3 PRO 533 1HB PRO 533 5.357 1.234 -7.933 190 HG2 PRO 533 2HG PRO 533 6.778 -0.936 -9.418 191 HG3 PRO 533 1HG PRO 533 6.117 0.590 -10.030 192 HD2 PRO 533 2HD PRO 533 8.744 0.252 -9.497 193 HD3 PRO 533 1HD PRO 533 7.910 1.809 -9.305 194 H TYR 534 H TYR 534 8.516 -1.502 -7.671 195 HA TYR 534 HA TYR 534 7.331 -3.822 -6.665 196 HB2 TYR 534 2HB TYR 534 9.432 -4.925 -7.287 197 HB3 TYR 534 1HB TYR 534 8.884 -3.832 -8.550 198 HD1 TYR 534 2HD TYR 534 10.125 -1.688 -8.989 199 HD2 TYR 534 1HD TYR 534 11.466 -4.555 -6.112 200 HE1 TYR 534 2HE TYR 534 12.351 -0.647 -8.957 201 HE2 TYR 534 1HE TYR 534 13.682 -3.502 -6.090 202 HH TYR 534 HH TYR 534 14.389 -0.686 -6.892 203 H PHE 535 H PHE 535 10.179 -2.016 -5.449 204 HA PHE 535 HA PHE 535 9.603 -3.160 -2.800 205 HB2 PHE 535 2HB PHE 535 12.124 -3.266 -4.347 206 HB3 PHE 535 1HB PHE 535 12.272 -2.914 -2.631 207 HD1 PHE 535 1HD PHE 535 10.247 -5.254 -4.729 208 HD2 PHE 535 2HD PHE 535 12.783 -4.732 -1.352 209 HE1 PHE 535 1HE PHE 535 10.054 -7.651 -4.221 210 HE2 PHE 535 2HE PHE 535 12.595 -7.130 -0.837 211 HZ PHE 535 HZ PHE 535 11.230 -8.593 -2.273 212 H GLY 536 H GLY 536 9.626 -0.385 -4.462 213 HA2 GLY 536 2HA GLY 536 11.221 1.422 -3.063 214 HA3 GLY 536 1HA GLY 536 9.707 1.835 -3.858 215 HA PRO 537 HA PRO 537 8.265 2.592 0.307 216 HB2 PRO 537 2HB PRO 537 5.790 3.358 -0.241 217 HB3 PRO 537 1HB PRO 537 7.143 4.332 -0.852 218 HG2 PRO 537 2HG PRO 537 5.607 2.170 -2.268 219 HG3 PRO 537 1HG PRO 537 5.900 3.837 -2.816 220 HD2 PRO 537 2HD PRO 537 7.419 1.751 -3.613 221 HD3 PRO 537 1HD PRO 537 8.108 3.373 -3.370 222 H ALA 538 H ALA 538 8.210 -0.059 -1.086 223 HA ALA 538 HA ALA 538 5.955 -1.284 0.294 224 HB1 ALA 538 1HB ALA 538 5.658 -2.774 -1.466 225 HB2 ALA 538 2HB ALA 538 7.293 -2.520 -2.082 226 HB3 ALA 538 3HB ALA 538 6.060 -1.278 -2.313 227 H ALA 539 H ALA 539 9.315 -1.107 -0.407 228 HA ALA 539 HA ALA 539 9.891 -2.914 1.753 229 HB1 ALA 539 1HB ALA 539 10.497 -3.602 -1.076 230 HB2 ALA 539 2HB ALA 539 9.839 -4.612 0.213 231 HB3 ALA 539 3HB ALA 539 11.548 -4.173 0.219 232 H GLU 540 H GLU 540 10.489 -0.038 0.580 233 HA GLU 540 HA GLU 540 13.367 0.036 0.508 234 HB2 GLU 540 2HB GLU 540 13.108 2.463 0.560 235 HB3 GLU 540 1HB GLU 540 12.041 1.752 -0.638 236 HG2 GLU 540 2HG GLU 540 10.362 2.858 0.277 237 HG3 GLU 540 1HG GLU 540 10.547 1.855 1.716 238 H GLY 541 H GLY 541 13.082 -1.363 2.586 239 HA2 GLY 541 2HA GLY 541 14.046 -1.296 4.761 240 HA3 GLY 541 1HA GLY 541 13.574 0.399 4.879 241 H ILE 542 H ILE 542 10.972 -0.651 3.539 242 HA ILE 542 HA ILE 542 9.354 -0.670 5.818 243 HB ILE 542 HB ILE 542 9.007 -0.927 2.916 244 HG12 ILE 542 2HG1 ILE 542 7.064 0.186 4.911 245 HG13 ILE 542 1HG1 ILE 542 8.562 1.034 4.543 246 HG21 ILE 542 1HG2 ILE 542 7.917 -2.966 3.296 247 HG22 ILE 542 2HG2 ILE 542 6.625 -1.763 3.209 248 HG23 ILE 542 3HG2 ILE 542 7.148 -2.382 4.775 249 HD11 ILE 542 3HD1 ILE 542 6.847 1.949 3.187 250 HD12 ILE 542 1HD1 ILE 542 6.341 0.348 2.645 251 HD13 ILE 542 2HD1 ILE 542 7.904 0.994 2.147 252 H TYR 543 H TYR 543 10.404 -3.297 3.662 253 HA TYR 543 HA TYR 543 9.047 -5.442 4.571 254 HB2 TYR 543 2HB TYR 543 10.932 -6.846 3.958 255 HB3 TYR 543 1HB TYR 543 10.738 -5.541 2.791 256 HD1 TYR 543 2HD TYR 543 12.200 -3.457 3.145 257 HD2 TYR 543 1HD TYR 543 12.996 -7.217 4.942 258 HE1 TYR 543 2HE TYR 543 14.548 -2.788 3.474 259 HE2 TYR 543 1HE TYR 543 15.348 -6.570 5.285 260 HH TYR 543 HH TYR 543 16.766 -3.940 3.762 261 H ALA 544 H ALA 544 11.526 -3.732 6.324 262 HA ALA 544 HA ALA 544 12.257 -5.571 8.262 263 HB1 ALA 544 1HB ALA 544 13.264 -3.346 8.002 264 HB2 ALA 544 2HB ALA 544 12.788 -3.671 9.670 265 HB3 ALA 544 3HB ALA 544 11.796 -2.622 8.658 266 H GLU 545 H GLU 545 9.218 -4.139 7.720 267 HA GLU 545 HA GLU 545 8.036 -3.992 10.211 268 HB2 GLU 545 2HB GLU 545 5.915 -4.602 8.891 269 HB3 GLU 545 1HB GLU 545 6.791 -3.166 8.382 270 HG2 GLU 545 2HG GLU 545 6.465 -4.109 6.353 271 HG3 GLU 545 1HG GLU 545 7.966 -4.925 6.776 272 H GLY 546 H GLY 546 8.362 -6.697 7.991 273 HA2 GLY 546 2HA GLY 546 8.095 -8.947 8.249 274 HA3 GLY 546 1HA GLY 546 8.818 -8.668 9.820 275 H LEU 547 H LEU 547 5.586 -7.970 8.404 276 HA LEU 547 HA LEU 547 4.296 -9.897 10.022 277 HB2 LEU 547 2HB LEU 547 3.302 -8.666 11.715 278 HB3 LEU 547 1HB LEU 547 4.954 -8.085 11.688 279 HG LEU 547 HG LEU 547 2.744 -6.619 10.269 280 HD11 LEU 547 1HD1 LEU 547 2.059 -5.570 12.140 281 HD12 LEU 547 2HD1 LEU 547 3.649 -5.651 12.900 282 HD13 LEU 547 3HD1 LEU 547 2.594 -7.064 12.908 283 HD21 LEU 547 3HD2 LEU 547 5.347 -6.289 9.989 284 HD22 LEU 547 1HD2 LEU 547 5.148 -5.364 11.477 285 HD23 LEU 547 2HD2 LEU 547 4.241 -4.915 10.032 286 H MET 548 H MET 548 3.868 -6.807 8.322 287 HA MET 548 HA MET 548 2.126 -7.790 6.404 288 HB2 MET 548 2HB MET 548 0.831 -7.231 8.957 289 HB3 MET 548 1HB MET 548 0.106 -6.340 7.625 290 HG2 MET 548 2HG MET 548 -0.724 -8.195 6.651 291 HG3 MET 548 1HG MET 548 0.638 -9.199 7.146 292 HE1 MET 548 3HE MET 548 -2.654 -10.867 8.465 293 HE2 MET 548 1HE MET 548 -1.898 -10.363 6.954 294 HE3 MET 548 2HE MET 548 -3.149 -9.361 7.691 295 H HIS 549 H HIS 549 3.258 -5.099 8.293 296 HA HIS 549 HA HIS 549 2.188 -2.936 6.956 297 HB2 HIS 549 2HB HIS 549 4.518 -3.429 8.643 298 HB3 HIS 549 1HB HIS 549 4.754 -2.100 7.513 299 HD1 HIS 549 1HD HIS 549 1.267 -2.358 8.440 300 HD2 HIS 549 2HD HIS 549 4.669 -0.613 10.064 301 HE1 HIS 549 1HE HIS 549 0.428 -0.675 10.094 302 HE2 HIS 549 2HE HIS 549 2.499 0.427 11.017 303 H ASN 550 H ASN 550 4.342 -5.277 5.674 304 HA ASN 550 HA ASN 550 5.589 -3.602 3.724 305 HB2 ASN 550 2HB ASN 550 6.411 -5.695 2.750 306 HB3 ASN 550 1HB ASN 550 6.655 -5.671 4.493 307 HD21 ASN 550 1HD2 ASN 550 5.096 -7.198 1.850 308 HD22 ASN 550 2HD2 ASN 550 4.344 -8.473 2.741 309 H GLN 551 H GLN 551 2.485 -4.104 3.963 310 HA GLN 551 HA GLN 551 1.440 -5.294 1.732 311 HB2 GLN 551 2HB GLN 551 -0.437 -3.659 1.983 312 HB3 GLN 551 1HB GLN 551 0.025 -4.464 3.478 313 HG2 GLN 551 2HG GLN 551 -0.093 -2.348 4.263 314 HG3 GLN 551 1HG GLN 551 1.574 -2.323 3.700 315 HE21 GLN 551 1HE2 GLN 551 -1.553 -2.043 2.046 316 HE22 GLN 551 2HE2 GLN 551 -1.199 -0.542 1.267 317 H ASP 552 H ASP 552 0.097 -3.751 0.101 318 HA ASP 552 HA ASP 552 2.076 -2.025 -1.238 319 HB2 ASP 552 2HB ASP 552 0.492 -4.291 -2.256 320 HB3 ASP 552 1HB ASP 552 0.461 -2.858 -3.280 321 H GLY 553 H GLY 553 -1.415 -2.718 -0.944 322 HA2 GLY 553 2HA GLY 553 -2.834 -0.843 -0.223 323 HA3 GLY 553 1HA GLY 553 -1.878 0.183 -1.280 324 H LEU 554 H LEU 554 -3.298 -3.017 -1.915 325 HA LEU 554 HA LEU 554 -4.066 -2.639 -4.480 326 HB2 LEU 554 2HB LEU 554 -6.116 -4.168 -3.788 327 HB3 LEU 554 1HB LEU 554 -4.479 -4.782 -3.898 328 HG LEU 554 HG LEU 554 -4.888 -3.806 -1.247 329 HD11 LEU 554 1HD1 LEU 554 -7.322 -4.504 -2.244 330 HD12 LEU 554 2HD1 LEU 554 -6.864 -4.581 -0.543 331 HD13 LEU 554 3HD1 LEU 554 -6.765 -6.026 -1.549 332 HD21 LEU 554 3HD2 LEU 554 -3.334 -5.448 -1.328 333 HD22 LEU 554 1HD2 LEU 554 -4.161 -6.318 -2.619 334 HD23 LEU 554 2HD2 LEU 554 -4.732 -6.456 -0.957 335 H ILE 555 H ILE 555 -6.661 -2.549 -2.053 336 HA ILE 555 HA ILE 555 -8.521 -1.243 -1.861 337 HB ILE 555 HB ILE 555 -7.116 0.842 -3.511 338 HG12 ILE 555 2HG1 ILE 555 -5.526 0.195 -1.831 339 HG13 ILE 555 1HG1 ILE 555 -6.245 1.727 -1.345 340 HG21 ILE 555 1HG2 ILE 555 -8.417 2.226 -1.672 341 HG22 ILE 555 2HG2 ILE 555 -9.425 0.778 -1.656 342 HG23 ILE 555 3HG2 ILE 555 -9.200 1.681 -3.155 343 HD11 ILE 555 3HD1 ILE 555 -7.759 0.491 0.147 344 HD12 ILE 555 1HD1 ILE 555 -6.057 0.288 0.555 345 HD13 ILE 555 2HD1 ILE 555 -6.921 -0.995 -0.290 346 H CYS 556 H CYS 556 -10.359 -1.587 -2.914 347 HA CYS 556 HA CYS 556 -10.481 -2.409 -5.597 348 HB2 CYS 556 2HB CYS 556 -12.751 -1.302 -3.937 349 HB3 CYS 556 1HB CYS 556 -12.889 -2.349 -5.345 350 H GLY 557 H GLY 557 -10.763 0.737 -4.105 351 HA2 GLY 557 2HA GLY 557 -10.271 2.719 -5.366 352 HA3 GLY 557 1HA GLY 557 -10.907 1.916 -6.796 353 H LEU 558 H LEU 558 -13.196 0.884 -5.240 354 HA LEU 558 HA LEU 558 -14.721 2.987 -4.188 355 HB2 LEU 558 2HB LEU 558 -16.230 3.414 -6.037 356 HB3 LEU 558 1HB LEU 558 -14.584 3.814 -6.489 357 HG LEU 558 HG LEU 558 -15.747 1.144 -7.223 358 HD11 LEU 558 1HD1 LEU 558 -16.818 1.932 -9.082 359 HD12 LEU 558 2HD1 LEU 558 -15.856 3.409 -9.148 360 HD13 LEU 558 3HD1 LEU 558 -17.142 3.247 -7.952 361 HD21 LEU 558 3HD2 LEU 558 -14.118 2.040 -9.239 362 HD22 LEU 558 1HD2 LEU 558 -13.645 0.941 -7.941 363 HD23 LEU 558 2HD2 LEU 558 -13.331 2.672 -7.793 364 H ARG 559 H ARG 559 -14.706 0.028 -6.054 365 HA ARG 559 HA ARG 559 -15.667 -1.848 -4.503 366 HB2 ARG 559 2HB ARG 559 -18.161 -1.893 -4.771 367 HB3 ARG 559 1HB ARG 559 -17.579 -0.618 -3.709 368 HG2 ARG 559 2HG ARG 559 -17.641 0.692 -6.070 369 HG3 ARG 559 1HG ARG 559 -18.962 -0.455 -6.294 370 HD2 ARG 559 2HD ARG 559 -19.798 0.302 -4.015 371 HD3 ARG 559 1HD ARG 559 -18.644 1.628 -4.150 372 HE ARG 559 HE ARG 559 -20.183 1.580 -6.479 373 HH11 ARG 559 1HH1 ARG 559 -20.590 2.188 -3.067 374 HH12 ARG 559 2HH1 ARG 559 -21.902 3.296 -3.293 375 HH21 ARG 559 1HH2 ARG 559 -21.908 3.037 -6.778 376 HH22 ARG 559 2HH2 ARG 559 -22.651 3.778 -5.400 377 H GLN 560 H GLN 560 -15.916 -3.704 -5.681 378 HA GLN 560 HA GLN 560 -16.837 -3.550 -8.407 379 HB2 GLN 560 2HB GLN 560 -14.354 -2.991 -8.394 380 HB3 GLN 560 1HB GLN 560 -14.081 -4.660 -7.902 381 HG2 GLN 560 2HG GLN 560 -15.606 -5.127 -10.016 382 HG3 GLN 560 1HG GLN 560 -14.958 -3.562 -10.504 383 HE21 GLN 560 1HE2 GLN 560 -14.275 -5.433 -12.139 384 HE22 GLN 560 2HE2 GLN 560 -12.659 -5.996 -11.898 Start of MODEL 18 1 H1 ALA 507 1HT ALA 507 -19.751 3.172 -0.272 2 H2 ALA 507 2HT ALA 507 -20.313 4.399 0.788 3 H3 ALA 507 3HT ALA 507 -19.435 3.060 1.408 4 HA ALA 507 HA ALA 507 -18.490 5.301 -0.223 5 HB1 ALA 507 2HB ALA 507 -16.791 5.379 1.620 6 HB2 ALA 507 3HB ALA 507 -17.742 4.153 2.457 7 HB3 ALA 507 1HB ALA 507 -18.445 5.734 2.116 8 H GLN 508 H GLN 508 -17.284 2.295 1.282 9 HA GLN 508 HA GLN 508 -15.625 1.883 -1.116 10 HB2 GLN 508 2HB GLN 508 -13.890 0.903 0.344 11 HB3 GLN 508 1HB GLN 508 -14.187 2.597 0.703 12 HG2 GLN 508 2HG GLN 508 -15.866 1.517 2.460 13 HG3 GLN 508 1HG GLN 508 -14.715 0.188 2.332 14 HE21 GLN 508 1HE2 GLN 508 -13.039 0.261 3.639 15 HE22 GLN 508 2HE2 GLN 508 -12.411 1.672 4.414 16 HA PRO 509 HA PRO 509 -17.339 -2.216 -0.953 17 HB2 PRO 509 2HB PRO 509 -16.005 -3.286 -2.994 18 HB3 PRO 509 1HB PRO 509 -17.095 -1.919 -3.251 19 HG2 PRO 509 2HG PRO 509 -14.134 -1.994 -3.243 20 HG3 PRO 509 1HG PRO 509 -15.228 -0.892 -4.091 21 HD2 PRO 509 2HD PRO 509 -13.860 -0.464 -1.601 22 HD3 PRO 509 1HD PRO 509 -14.966 0.640 -2.443 23 H LYS 510 H LYS 510 -14.835 -1.602 0.731 24 HA LYS 510 HA LYS 510 -13.347 -2.733 2.020 25 HB2 LYS 510 2HB LYS 510 -15.323 -4.871 1.301 26 HB3 LYS 510 1HB LYS 510 -13.904 -5.254 2.263 27 HG2 LYS 510 2HG LYS 510 -14.585 -3.644 3.949 28 HG3 LYS 510 1HG LYS 510 -15.988 -3.202 2.974 29 HD2 LYS 510 2HD LYS 510 -16.605 -5.693 3.101 30 HD3 LYS 510 1HD LYS 510 -15.431 -5.777 4.415 31 HE2 LYS 510 2HE LYS 510 -17.505 -5.410 5.459 32 HE3 LYS 510 1HE LYS 510 -16.696 -3.844 5.469 33 HZ1 LYS 510 3HZ LYS 510 -19.195 -4.204 4.640 34 HZ2 LYS 510 1HZ LYS 510 -18.382 -4.381 3.167 35 HZ3 LYS 510 2HZ LYS 510 -18.200 -2.963 4.069 36 H CYS 511 H CYS 511 -12.261 -2.156 -0.315 37 HA CYS 511 HA CYS 511 -10.920 -4.629 -1.191 38 HB2 CYS 511 2HB CYS 511 -12.343 -3.471 -2.916 39 HB3 CYS 511 1HB CYS 511 -11.253 -2.095 -2.804 40 H ASN 512 H ASN 512 -10.163 -3.007 1.068 41 HA ASN 512 HA ASN 512 -7.637 -1.843 0.104 42 HB2 ASN 512 2HB ASN 512 -8.688 -1.327 2.856 43 HB3 ASN 512 1HB ASN 512 -7.667 -0.313 1.846 44 HD21 ASN 512 1HD2 ASN 512 -9.296 -0.512 -0.507 45 HD22 ASN 512 2HD2 ASN 512 -10.722 0.417 -0.213 46 HA PRO 513 HA PRO 513 -5.636 -5.143 2.261 47 HB2 PRO 513 2HB PRO 513 -3.084 -4.359 2.021 48 HB3 PRO 513 1HB PRO 513 -4.032 -4.882 0.626 49 HG2 PRO 513 2HG PRO 513 -3.328 -2.118 1.506 50 HG3 PRO 513 1HG PRO 513 -3.413 -2.788 -0.126 51 HD2 PRO 513 2HD PRO 513 -5.390 -1.263 1.079 52 HD3 PRO 513 1HD PRO 513 -5.637 -2.337 -0.310 53 H ASN 514 H ASN 514 -3.225 -2.803 3.169 54 HA ASN 514 HA ASN 514 -4.231 -2.749 5.932 55 HB2 ASN 514 2HB ASN 514 -1.669 -3.777 4.873 56 HB3 ASN 514 1HB ASN 514 -1.562 -2.772 6.313 57 HD21 ASN 514 1HD2 ASN 514 -2.490 -5.809 5.018 58 HD22 ASN 514 2HD2 ASN 514 -2.953 -6.555 6.505 59 H LEU 515 H LEU 515 -1.392 -1.583 4.195 60 HA LEU 515 HA LEU 515 -0.276 0.410 4.344 61 HB2 LEU 515 2HB LEU 515 -1.425 2.115 3.137 62 HB3 LEU 515 1HB LEU 515 -1.828 0.548 2.459 63 HG LEU 515 HG LEU 515 -3.855 0.965 4.272 64 HD11 LEU 515 1HD1 LEU 515 -3.876 3.150 4.753 65 HD12 LEU 515 2HD1 LEU 515 -4.502 3.352 3.117 66 HD13 LEU 515 3HD1 LEU 515 -2.779 3.546 3.431 67 HD21 LEU 515 3HD2 LEU 515 -4.025 0.028 2.012 68 HD22 LEU 515 1HD2 LEU 515 -3.840 1.649 1.340 69 HD23 LEU 515 2HD2 LEU 515 -5.254 1.256 2.319 70 H HIS 516 H HIS 516 -0.867 -0.244 6.865 71 HA HIS 516 HA HIS 516 -2.087 2.099 8.118 72 HB2 HIS 516 2HB HIS 516 -2.020 -0.681 8.745 73 HB3 HIS 516 1HB HIS 516 -1.247 0.196 10.060 74 HD1 HIS 516 1HD HIS 516 -3.165 2.752 9.719 75 HD2 HIS 516 2HD HIS 516 -4.332 -1.207 10.199 76 HE1 HIS 516 1HE HIS 516 -5.495 2.848 10.658 77 HE2 HIS 516 2HE HIS 516 -6.146 0.442 11.027 78 H TYR 517 H TYR 517 0.985 1.078 7.208 79 HA TYR 517 HA TYR 517 2.391 2.022 9.531 80 HB2 TYR 517 2HB TYR 517 4.368 1.409 8.456 81 HB3 TYR 517 1HB TYR 517 3.203 0.270 7.799 82 HD1 TYR 517 1HD TYR 517 4.552 3.674 6.992 83 HD2 TYR 517 2HD TYR 517 3.320 -0.128 5.528 84 HE1 TYR 517 1HE TYR 517 5.171 4.354 4.721 85 HE2 TYR 517 2HE TYR 517 3.935 0.548 3.252 86 HH TYR 517 HH TYR 517 5.693 2.350 2.278 87 H TRP 518 H TRP 518 1.158 3.421 6.630 88 HA TRP 518 HA TRP 518 2.577 5.919 7.163 89 HB2 TRP 518 2HB TRP 518 2.578 4.680 4.835 90 HB3 TRP 518 1HB TRP 518 1.008 5.459 4.665 91 HD1 TRP 518 HD TRP 518 1.096 7.781 3.608 92 HE1 TRP 518 1HE TRP 518 2.883 9.611 3.307 93 HE3 TRP 518 3HE TRP 518 4.892 5.617 6.224 94 HZ2 TRP 518 2HZ TRP 518 5.562 10.071 4.086 95 HZ3 TRP 518 3HZ TRP 518 7.041 6.808 6.408 96 HH2 TRP 518 HH TRP 518 7.366 8.990 5.359 97 H THR 519 H THR 519 1.492 7.747 7.429 98 HA THR 519 HA THR 519 -0.589 8.183 8.907 99 HB THR 519 HB THR 519 0.497 10.060 7.976 100 HG1 THR 519 1HG THR 519 -2.121 10.142 6.896 101 HG21 THR 519 3HG2 THR 519 0.902 10.491 5.824 102 HG22 THR 519 1HG2 THR 519 -0.708 9.984 5.309 103 HG23 THR 519 2HG2 THR 519 0.545 8.776 5.606 104 H THR 520 H THR 520 -1.093 7.647 5.408 105 HA THR 520 HA THR 520 -3.224 5.936 5.591 106 HB THR 520 HB THR 520 -4.018 8.539 6.416 107 HG1 THR 520 1HG THR 520 -6.018 7.456 6.666 108 HG21 THR 520 3HG2 THR 520 -5.248 7.730 3.789 109 HG22 THR 520 1HG2 THR 520 -4.449 9.252 4.186 110 HG23 THR 520 2HG2 THR 520 -5.998 8.850 4.929 111 H GLN 521 H GLN 521 -2.470 8.950 3.864 112 HA GLN 521 HA GLN 521 -3.120 7.648 1.353 113 HB2 GLN 521 2HB GLN 521 -3.154 9.801 0.381 114 HB3 GLN 521 1HB GLN 521 -3.942 9.943 1.947 115 HG2 GLN 521 2HG GLN 521 -1.937 10.916 2.898 116 HG3 GLN 521 1HG GLN 521 -1.089 10.710 1.366 117 HE21 GLN 521 1HE2 GLN 521 -2.391 11.703 -0.535 118 HE22 GLN 521 2HE2 GLN 521 -2.960 13.312 -0.266 119 H ASP 522 H ASP 522 -1.785 7.309 -0.298 120 HA ASP 522 HA ASP 522 0.135 6.720 -1.349 121 HB2 ASP 522 2HB ASP 522 1.051 9.355 -0.193 122 HB3 ASP 522 1HB ASP 522 1.820 8.503 -1.530 123 H GLU 523 H GLU 523 1.215 5.004 -0.642 124 HA GLU 523 HA GLU 523 3.561 5.246 0.864 125 HB2 GLU 523 2HB GLU 523 3.044 4.281 2.946 126 HB3 GLU 523 1HB GLU 523 1.852 5.539 2.684 127 HG2 GLU 523 2HG GLU 523 1.311 2.649 2.086 128 HG3 GLU 523 1HG GLU 523 1.023 3.370 3.670 129 H GLY 524 H GLY 524 2.545 4.043 -1.521 130 HA2 GLY 524 2HA GLY 524 3.686 2.148 -2.523 131 HA3 GLY 524 1HA GLY 524 3.388 1.262 -1.033 132 H ALA 525 H ALA 525 0.814 3.227 -2.082 133 HA ALA 525 HA ALA 525 -0.880 0.979 -2.456 134 HB1 ALA 525 1HB ALA 525 -2.587 2.717 -3.065 135 HB2 ALA 525 2HB ALA 525 -1.322 3.927 -2.846 136 HB3 ALA 525 3HB ALA 525 -1.830 2.925 -1.486 137 H ALA 526 H ALA 526 0.890 0.358 -4.259 138 HA ALA 526 HA ALA 526 1.289 -0.122 -6.434 139 HB1 ALA 526 1HB ALA 526 -0.720 -1.220 -6.626 140 HB2 ALA 526 2HB ALA 526 -0.870 -0.011 -7.902 141 HB3 ALA 526 3HB ALA 526 -1.667 0.243 -6.349 142 H ILE 527 H ILE 527 2.661 1.620 -6.746 143 HA ILE 527 HA ILE 527 2.024 3.294 -8.905 144 HB ILE 527 HB ILE 527 0.786 4.546 -7.303 145 HG12 ILE 527 2HG1 ILE 527 3.362 6.082 -7.543 146 HG13 ILE 527 1HG1 ILE 527 2.393 5.716 -8.968 147 HG21 ILE 527 1HG2 ILE 527 3.204 4.967 -5.616 148 HG22 ILE 527 2HG2 ILE 527 2.175 3.549 -5.398 149 HG23 ILE 527 3HG2 ILE 527 1.501 5.169 -5.203 150 HD11 ILE 527 3HD1 ILE 527 2.132 7.957 -7.539 151 HD12 ILE 527 1HD1 ILE 527 0.964 6.937 -6.699 152 HD13 ILE 527 2HD1 ILE 527 0.803 7.217 -8.434 153 H GLY 528 H GLY 528 4.036 3.094 -5.985 154 HA2 GLY 528 2HA GLY 528 6.306 3.075 -5.694 155 HA3 GLY 528 1HA GLY 528 6.403 2.475 -7.336 156 H ALA 529 H ALA 529 5.007 5.154 -8.143 157 HA ALA 529 HA ALA 529 5.795 7.027 -9.189 158 HB1 ALA 529 1HB ALA 529 6.137 8.697 -7.693 159 HB2 ALA 529 2HB ALA 529 7.318 7.776 -6.763 160 HB3 ALA 529 3HB ALA 529 5.595 7.454 -6.566 161 H ALA 530 H ALA 530 7.484 4.713 -9.572 162 HA ALA 530 HA ALA 530 9.608 5.682 -10.964 163 HB1 ALA 530 1HB ALA 530 10.128 5.925 -8.142 164 HB2 ALA 530 2HB ALA 530 11.120 6.441 -9.505 165 HB3 ALA 530 3HB ALA 530 11.272 4.801 -8.873 166 H TRP 531 H TRP 531 7.960 3.649 -11.357 167 HA TRP 531 HA TRP 531 7.644 1.346 -11.389 168 HB2 TRP 531 2HB TRP 531 9.687 0.361 -12.695 169 HB3 TRP 531 1HB TRP 531 8.586 1.493 -13.476 170 HD1 TRP 531 HD TRP 531 11.736 2.040 -11.275 171 HE1 TRP 531 1HE TRP 531 13.285 3.693 -12.504 172 HE3 TRP 531 3HE TRP 531 8.956 2.760 -15.500 173 HZ2 TRP 531 2HZ TRP 531 13.317 5.112 -14.946 174 HZ3 TRP 531 3HZ TRP 531 9.814 4.279 -17.234 175 HH2 TRP 531 HH TRP 531 11.950 5.430 -16.961 176 H ILE 532 H ILE 532 8.380 1.945 -8.923 177 HA ILE 532 HA ILE 532 10.061 -0.332 -8.222 178 HB ILE 532 HB ILE 532 11.328 1.775 -8.156 179 HG12 ILE 532 2HG1 ILE 532 10.841 0.725 -5.360 180 HG13 ILE 532 1HG1 ILE 532 11.754 -0.162 -6.571 181 HG21 ILE 532 1HG2 ILE 532 9.800 2.706 -5.794 182 HG22 ILE 532 2HG2 ILE 532 9.067 2.930 -7.387 183 HG23 ILE 532 3HG2 ILE 532 10.652 3.628 -7.034 184 HD11 ILE 532 3HD1 ILE 532 12.493 2.619 -5.746 185 HD12 ILE 532 1HD1 ILE 532 13.477 1.416 -6.578 186 HD13 ILE 532 2HD1 ILE 532 13.063 1.193 -4.875 187 HA PRO 533 HA PRO 533 6.154 0.652 -5.514 188 HB2 PRO 533 2HB PRO 533 4.190 -0.730 -6.826 189 HB3 PRO 533 1HB PRO 533 4.452 1.005 -7.012 190 HG2 PRO 533 2HG PRO 533 5.317 -1.236 -8.780 191 HG3 PRO 533 1HG PRO 533 4.682 0.358 -9.219 192 HD2 PRO 533 2HD PRO 533 7.307 -0.240 -9.328 193 HD3 PRO 533 1HD PRO 533 6.707 1.385 -8.941 194 H TYR 534 H TYR 534 7.533 -1.929 -7.251 195 HA TYR 534 HA TYR 534 6.461 -4.185 -6.038 196 HB2 TYR 534 2HB TYR 534 9.258 -3.717 -7.102 197 HB3 TYR 534 1HB TYR 534 8.541 -5.294 -6.785 198 HD1 TYR 534 1HD TYR 534 8.373 -2.296 -9.001 199 HD2 TYR 534 2HD TYR 534 7.032 -6.296 -8.320 200 HE1 TYR 534 1HE TYR 534 7.447 -2.379 -11.271 201 HE2 TYR 534 2HE TYR 534 6.107 -6.371 -10.595 202 HH TYR 534 HH TYR 534 6.802 -3.973 -12.946 203 H PHE 535 H PHE 535 9.494 -2.474 -5.253 204 HA PHE 535 HA PHE 535 9.157 -3.335 -2.464 205 HB2 PHE 535 2HB PHE 535 11.789 -3.377 -2.507 206 HB3 PHE 535 1HB PHE 535 10.856 -4.780 -3.018 207 HD1 PHE 535 1HD PHE 535 12.232 -1.641 -4.504 208 HD2 PHE 535 2HD PHE 535 11.523 -5.814 -4.947 209 HE1 PHE 535 1HE PHE 535 13.376 -1.600 -6.682 210 HE2 PHE 535 2HE PHE 535 12.666 -5.781 -7.125 211 HZ PHE 535 HZ PHE 535 13.595 -3.672 -7.995 212 H GLY 536 H GLY 536 9.022 -0.757 -4.304 213 HA2 GLY 536 2HA GLY 536 10.905 1.084 -3.347 214 HA3 GLY 536 1HA GLY 536 9.314 1.496 -3.974 215 HA PRO 537 HA PRO 537 8.468 2.654 0.270 216 HB2 PRO 537 2HB PRO 537 6.016 3.584 -0.034 217 HB3 PRO 537 1HB PRO 537 7.342 4.386 -0.896 218 HG2 PRO 537 2HG PRO 537 5.457 2.273 -1.907 219 HG3 PRO 537 1HG PRO 537 5.826 3.849 -2.640 220 HD2 PRO 537 2HD PRO 537 7.037 1.538 -3.393 221 HD3 PRO 537 1HD PRO 537 7.865 3.111 -3.451 222 H ALA 538 H ALA 538 8.053 -0.088 -0.861 223 HA ALA 538 HA ALA 538 5.964 -1.008 0.948 224 HB1 ALA 538 1HB ALA 538 5.382 -1.137 -1.521 225 HB2 ALA 538 2HB ALA 538 5.283 -2.654 -0.625 226 HB3 ALA 538 3HB ALA 538 6.673 -2.331 -1.665 227 H ALA 539 H ALA 539 9.147 -1.132 -0.275 228 HA ALA 539 HA ALA 539 9.898 -3.005 1.774 229 HB1 ALA 539 1HB ALA 539 11.056 -3.862 -0.755 230 HB2 ALA 539 2HB ALA 539 9.309 -4.078 -0.651 231 HB3 ALA 539 3HB ALA 539 10.361 -4.807 0.561 232 H GLU 540 H GLU 540 10.530 -0.165 0.507 233 HA GLU 540 HA GLU 540 13.369 -0.318 0.037 234 HB2 GLU 540 2HB GLU 540 13.309 2.132 0.122 235 HB3 GLU 540 1HB GLU 540 12.072 1.502 -0.952 236 HG2 GLU 540 2HG GLU 540 10.510 1.709 1.083 237 HG3 GLU 540 1HG GLU 540 11.763 2.760 1.742 238 H GLY 541 H GLY 541 13.286 -1.684 2.142 239 HA2 GLY 541 2HA GLY 541 14.539 -1.683 4.166 240 HA3 GLY 541 1HA GLY 541 14.208 0.042 4.328 241 H ILE 542 H ILE 542 11.377 -0.877 3.362 242 HA ILE 542 HA ILE 542 10.114 -0.771 5.865 243 HB ILE 542 HB ILE 542 9.319 -0.918 3.052 244 HG12 ILE 542 2HG1 ILE 542 7.862 0.232 5.424 245 HG13 ILE 542 1HG1 ILE 542 9.239 1.032 4.675 246 HG21 ILE 542 1HG2 ILE 542 7.660 -2.339 5.117 247 HG22 ILE 542 2HG2 ILE 542 8.179 -2.914 3.531 248 HG23 ILE 542 3HG2 ILE 542 6.960 -1.640 3.657 249 HD11 ILE 542 3HD1 ILE 542 7.646 2.050 3.482 250 HD12 ILE 542 1HD1 ILE 542 6.473 0.761 3.745 251 HD13 ILE 542 2HD1 ILE 542 7.720 0.578 2.512 252 H TYR 543 H TYR 543 10.754 -3.445 3.621 253 HA TYR 543 HA TYR 543 9.361 -5.511 4.658 254 HB2 TYR 543 2HB TYR 543 11.148 -7.017 3.921 255 HB3 TYR 543 1HB TYR 543 10.839 -5.751 2.736 256 HD1 TYR 543 2HD TYR 543 12.373 -3.720 2.771 257 HD2 TYR 543 1HD TYR 543 13.299 -7.361 4.737 258 HE1 TYR 543 2HE TYR 543 14.754 -3.086 2.793 259 HE2 TYR 543 1HE TYR 543 15.685 -6.750 4.775 260 HH TYR 543 HH TYR 543 16.780 -3.587 3.956 261 H ALA 544 H ALA 544 12.076 -3.937 6.164 262 HA ALA 544 HA ALA 544 12.917 -5.796 8.022 263 HB1 ALA 544 1HB ALA 544 13.672 -3.946 9.360 264 HB2 ALA 544 2HB ALA 544 12.565 -2.850 8.532 265 HB3 ALA 544 3HB ALA 544 13.920 -3.563 7.656 266 H GLU 545 H GLU 545 9.877 -4.257 7.798 267 HA GLU 545 HA GLU 545 8.963 -4.147 10.404 268 HB2 GLU 545 2HB GLU 545 6.692 -4.635 9.298 269 HB3 GLU 545 1HB GLU 545 7.569 -3.217 8.745 270 HG2 GLU 545 2HG GLU 545 6.947 -4.094 6.745 271 HG3 GLU 545 1HG GLU 545 8.495 -4.906 6.950 272 H GLY 546 H GLY 546 8.993 -6.796 8.101 273 HA2 GLY 546 2HA GLY 546 8.706 -9.043 8.315 274 HA3 GLY 546 1HA GLY 546 9.562 -8.828 9.826 275 H LEU 547 H LEU 547 6.231 -8.049 8.717 276 HA LEU 547 HA LEU 547 5.038 -10.048 10.305 277 HB2 LEU 547 2HB LEU 547 3.851 -7.940 11.658 278 HB3 LEU 547 1HB LEU 547 4.954 -9.128 12.317 279 HG LEU 547 HG LEU 547 6.838 -7.618 11.895 280 HD11 LEU 547 1HD1 LEU 547 6.166 -6.374 10.011 281 HD12 LEU 547 2HD1 LEU 547 6.242 -5.220 11.340 282 HD13 LEU 547 3HD1 LEU 547 4.682 -5.840 10.798 283 HD21 LEU 547 3HD2 LEU 547 6.214 -7.279 14.042 284 HD22 LEU 547 1HD2 LEU 547 4.546 -6.902 13.613 285 HD23 LEU 547 2HD2 LEU 547 5.804 -5.683 13.415 286 H MET 548 H MET 548 4.524 -6.812 8.928 287 HA MET 548 HA MET 548 2.602 -7.670 7.088 288 HB2 MET 548 2HB MET 548 0.582 -6.544 8.147 289 HB3 MET 548 1HB MET 548 1.064 -8.095 8.821 290 HG2 MET 548 2HG MET 548 2.403 -5.974 10.206 291 HG3 MET 548 1HG MET 548 0.666 -5.673 10.172 292 HE1 MET 548 3HE MET 548 0.335 -6.636 13.400 293 HE2 MET 548 1HE MET 548 1.415 -5.542 12.535 294 HE3 MET 548 2HE MET 548 2.081 -6.866 13.491 295 H HIS 549 H HIS 549 4.019 -5.099 8.958 296 HA HIS 549 HA HIS 549 2.973 -2.836 7.796 297 HB2 HIS 549 2HB HIS 549 5.231 -3.483 9.399 298 HB3 HIS 549 1HB HIS 549 5.770 -2.403 8.117 299 HD1 HIS 549 1HD HIS 549 2.311 -2.085 9.465 300 HD2 HIS 549 2HD HIS 549 6.015 -0.262 9.926 301 HE1 HIS 549 1HE HIS 549 1.858 0.037 10.718 302 HE2 HIS 549 2HE HIS 549 4.128 1.065 11.098 303 H ASN 550 H ASN 550 4.800 -5.249 6.201 304 HA ASN 550 HA ASN 550 5.984 -3.582 4.208 305 HB2 ASN 550 2HB ASN 550 6.458 -5.716 3.042 306 HB3 ASN 550 1HB ASN 550 6.977 -5.732 4.725 307 HD21 ASN 550 1HD2 ASN 550 5.905 -7.725 2.579 308 HD22 ASN 550 2HD2 ASN 550 4.823 -8.710 3.498 309 H GLN 551 H GLN 551 2.879 -3.843 4.735 310 HA GLN 551 HA GLN 551 1.563 -4.816 2.529 311 HB2 GLN 551 2HB GLN 551 -0.105 -2.916 3.051 312 HB3 GLN 551 1HB GLN 551 0.218 -4.109 4.301 313 HG2 GLN 551 2HG GLN 551 2.085 -1.956 4.532 314 HG3 GLN 551 1HG GLN 551 0.447 -1.316 4.471 315 HE21 GLN 551 1HE2 GLN 551 1.447 -0.762 6.714 316 HE22 GLN 551 2HE2 GLN 551 1.008 -1.844 7.986 317 H ASP 552 H ASP 552 0.201 -3.064 1.120 318 HA ASP 552 HA ASP 552 2.146 -1.265 -0.164 319 HB2 ASP 552 2HB ASP 552 0.164 -2.979 -1.671 320 HB3 ASP 552 1HB ASP 552 1.424 -1.954 -2.354 321 H GLY 553 H GLY 553 -1.318 -2.142 -0.446 322 HA2 GLY 553 2HA GLY 553 -2.967 -0.507 0.379 323 HA3 GLY 553 1HA GLY 553 -1.910 0.748 -0.245 324 H LEU 554 H LEU 554 -2.965 -2.281 -1.766 325 HA LEU 554 HA LEU 554 -3.265 -1.459 -4.306 326 HB2 LEU 554 2HB LEU 554 -5.319 -3.107 -4.338 327 HB3 LEU 554 1HB LEU 554 -3.676 -3.684 -4.148 328 HG LEU 554 HG LEU 554 -4.583 -3.209 -1.540 329 HD11 LEU 554 1HD1 LEU 554 -6.579 -5.094 -2.204 330 HD12 LEU 554 2HD1 LEU 554 -6.826 -3.674 -3.219 331 HD13 LEU 554 3HD1 LEU 554 -6.771 -3.503 -1.465 332 HD21 LEU 554 3HD2 LEU 554 -4.109 -5.648 -3.207 333 HD22 LEU 554 1HD2 LEU 554 -4.632 -5.775 -1.527 334 HD23 LEU 554 2HD2 LEU 554 -3.113 -4.970 -1.920 335 H ILE 555 H ILE 555 -6.171 -1.656 -2.247 336 HA ILE 555 HA ILE 555 -8.102 -0.450 -2.222 337 HB ILE 555 HB ILE 555 -6.470 1.820 -3.351 338 HG12 ILE 555 2HG1 ILE 555 -5.216 1.352 -1.473 339 HG13 ILE 555 1HG1 ILE 555 -6.421 2.439 -0.801 340 HG21 ILE 555 1HG2 ILE 555 -9.158 1.668 -2.896 341 HG22 ILE 555 2HG2 ILE 555 -8.215 3.156 -2.955 342 HG23 ILE 555 3HG2 ILE 555 -8.564 2.393 -1.403 343 HD11 ILE 555 3HD1 ILE 555 -6.442 -0.557 -0.647 344 HD12 ILE 555 1HD1 ILE 555 -7.697 0.504 -0.016 345 HD13 ILE 555 2HD1 ILE 555 -6.071 0.563 0.661 346 H CYS 556 H CYS 556 -9.607 -1.074 -3.633 347 HA CYS 556 HA CYS 556 -9.265 -1.329 -6.393 348 HB2 CYS 556 2HB CYS 556 -11.616 -1.319 -4.562 349 HB3 CYS 556 1HB CYS 556 -11.914 -1.177 -6.292 350 H GLY 557 H GLY 557 -10.337 1.390 -4.463 351 HA2 GLY 557 2HA GLY 557 -10.022 3.628 -5.283 352 HA3 GLY 557 1HA GLY 557 -10.306 3.022 -6.911 353 H LEU 558 H LEU 558 -12.575 1.391 -5.956 354 HA LEU 558 HA LEU 558 -14.560 3.051 -4.854 355 HB2 LEU 558 2HB LEU 558 -15.863 3.542 -6.833 356 HB3 LEU 558 1HB LEU 558 -14.259 4.232 -6.981 357 HG LEU 558 HG LEU 558 -14.814 1.560 -8.213 358 HD11 LEU 558 1HD1 LEU 558 -15.609 2.563 -10.229 359 HD12 LEU 558 2HD1 LEU 558 -15.415 4.184 -9.561 360 HD13 LEU 558 3HD1 LEU 558 -16.641 3.100 -8.905 361 HD21 LEU 558 3HD2 LEU 558 -12.665 3.434 -8.159 362 HD22 LEU 558 1HD2 LEU 558 -13.247 3.273 -9.816 363 HD23 LEU 558 2HD2 LEU 558 -12.736 1.844 -8.920 364 H ARG 559 H ARG 559 -13.798 0.434 -7.049 365 HA ARG 559 HA ARG 559 -14.624 -1.773 -5.941 366 HB2 ARG 559 2HB ARG 559 -17.038 -2.131 -6.555 367 HB3 ARG 559 1HB ARG 559 -16.788 -0.992 -5.241 368 HG2 ARG 559 2HG ARG 559 -16.787 0.635 -7.444 369 HG3 ARG 559 1HG ARG 559 -17.972 -0.598 -7.873 370 HD2 ARG 559 2HD ARG 559 -18.490 0.069 -5.198 371 HD3 ARG 559 1HD ARG 559 -18.205 1.598 -6.030 372 HE ARG 559 HE ARG 559 -19.928 0.121 -7.623 373 HH11 ARG 559 1HH1 ARG 559 -19.943 1.532 -4.431 374 HH12 ARG 559 2HH1 ARG 559 -21.656 1.782 -4.414 375 HH21 ARG 559 1HH2 ARG 559 -22.181 0.450 -7.602 376 HH22 ARG 559 2HH2 ARG 559 -22.927 1.169 -6.213 377 H GLN 560 H GLN 560 -14.490 -3.449 -7.391 378 HA GLN 560 HA GLN 560 -15.097 -2.997 -10.171 379 HB2 GLN 560 2HB GLN 560 -12.843 -3.495 -10.992 380 HB3 GLN 560 1HB GLN 560 -12.857 -2.033 -10.012 381 HG2 GLN 560 2HG GLN 560 -11.112 -2.926 -8.966 382 HG3 GLN 560 1HG GLN 560 -12.290 -3.961 -8.162 383 HE21 GLN 560 1HE2 GLN 560 -9.594 -4.631 -8.606 384 HE22 GLN 560 2HE2 GLN 560 -9.546 -5.990 -9.670 Start of MODEL 19 1 H1 ALA 507 1HT ALA 507 -18.108 4.776 -1.283 2 H2 ALA 507 2HT ALA 507 -19.498 4.995 -0.300 3 H3 ALA 507 3HT ALA 507 -19.542 3.900 -1.621 4 HA ALA 507 HA ALA 507 -17.912 3.663 0.816 5 HB1 ALA 507 2HB ALA 507 -19.344 1.808 1.372 6 HB2 ALA 507 3HB ALA 507 -20.237 1.997 -0.138 7 HB3 ALA 507 1HB ALA 507 -20.334 3.243 1.106 8 H GLN 508 H GLN 508 -16.434 2.014 0.851 9 HA GLN 508 HA GLN 508 -15.532 1.062 -1.715 10 HB2 GLN 508 2HB GLN 508 -13.647 0.128 -0.486 11 HB3 GLN 508 1HB GLN 508 -13.930 1.792 0.005 12 HG2 GLN 508 2HG GLN 508 -15.237 -0.329 1.601 13 HG3 GLN 508 1HG GLN 508 -13.486 -0.169 1.740 14 HE21 GLN 508 1HE2 GLN 508 -12.810 2.243 1.930 15 HE22 GLN 508 2HE2 GLN 508 -13.687 3.152 3.107 16 HA PRO 509 HA PRO 509 -17.239 -3.010 -1.308 17 HB2 PRO 509 2HB PRO 509 -15.605 -4.307 -3.081 18 HB3 PRO 509 1HB PRO 509 -16.879 -3.185 -3.557 19 HG2 PRO 509 2HG PRO 509 -14.020 -2.859 -3.779 20 HG3 PRO 509 1HG PRO 509 -15.298 -1.793 -4.375 21 HD2 PRO 509 2HD PRO 509 -13.675 -1.578 -1.929 22 HD3 PRO 509 1HD PRO 509 -14.617 -0.330 -2.772 23 H LYS 510 H LYS 510 -14.865 -2.307 0.515 24 HA LYS 510 HA LYS 510 -13.579 -3.338 2.067 25 HB2 LYS 510 2HB LYS 510 -15.535 -5.501 1.364 26 HB3 LYS 510 1HB LYS 510 -14.254 -5.786 2.530 27 HG2 LYS 510 2HG LYS 510 -15.084 -3.890 3.867 28 HG3 LYS 510 1HG LYS 510 -16.408 -3.695 2.718 29 HD2 LYS 510 2HD LYS 510 -17.448 -4.998 4.281 30 HD3 LYS 510 1HD LYS 510 -16.772 -6.262 3.251 31 HE2 LYS 510 2HE LYS 510 -15.097 -6.778 4.761 32 HE3 LYS 510 1HE LYS 510 -15.180 -5.203 5.547 33 HZ1 LYS 510 3HZ LYS 510 -16.106 -6.965 6.931 34 HZ2 LYS 510 1HZ LYS 510 -17.252 -7.322 5.738 35 HZ3 LYS 510 2HZ LYS 510 -17.287 -5.825 6.524 36 H CYS 511 H CYS 511 -12.032 -3.020 0.086 37 HA CYS 511 HA CYS 511 -10.664 -5.586 -0.279 38 HB2 CYS 511 2HB CYS 511 -10.067 -4.817 -2.627 39 HB3 CYS 511 1HB CYS 511 -11.733 -5.331 -2.381 40 H ASN 512 H ASN 512 -10.110 -3.603 1.616 41 HA ASN 512 HA ASN 512 -7.629 -2.395 0.585 42 HB2 ASN 512 2HB ASN 512 -7.815 -0.855 2.550 43 HB3 ASN 512 1HB ASN 512 -9.127 -0.695 1.387 44 HD21 ASN 512 1HD2 ASN 512 -11.148 -0.872 2.089 45 HD22 ASN 512 2HD2 ASN 512 -11.615 -1.397 3.667 46 HA PRO 513 HA PRO 513 -5.578 -5.116 3.400 47 HB2 PRO 513 2HB PRO 513 -3.050 -4.355 2.982 48 HB3 PRO 513 1HB PRO 513 -3.997 -5.153 1.724 49 HG2 PRO 513 2HG PRO 513 -3.275 -2.282 2.009 50 HG3 PRO 513 1HG PRO 513 -3.479 -3.252 0.546 51 HD2 PRO 513 2HD PRO 513 -5.371 -1.494 1.676 52 HD3 PRO 513 1HD PRO 513 -5.664 -2.675 0.387 53 H ASN 514 H ASN 514 -3.190 -2.634 3.814 54 HA ASN 514 HA ASN 514 -4.201 -2.016 6.505 55 HB2 ASN 514 2HB ASN 514 -1.639 -3.238 5.680 56 HB3 ASN 514 1HB ASN 514 -1.535 -1.968 6.893 57 HD21 ASN 514 1HD2 ASN 514 -3.117 -5.024 6.133 58 HD22 ASN 514 2HD2 ASN 514 -3.334 -5.530 7.770 59 H LEU 515 H LEU 515 -1.377 -1.227 4.545 60 HA LEU 515 HA LEU 515 -0.254 0.747 4.281 61 HB2 LEU 515 2HB LEU 515 -1.417 2.177 2.775 62 HB3 LEU 515 1HB LEU 515 -1.866 0.512 2.443 63 HG LEU 515 HG LEU 515 -3.819 1.339 4.198 64 HD11 LEU 515 1HD1 LEU 515 -2.736 3.665 2.815 65 HD12 LEU 515 2HD1 LEU 515 -3.824 3.572 4.199 66 HD13 LEU 515 3HD1 LEU 515 -4.467 3.441 2.562 67 HD21 LEU 515 3HD2 LEU 515 -5.290 1.238 2.274 68 HD22 LEU 515 1HD2 LEU 515 -4.089 -0.051 2.197 69 HD23 LEU 515 2HD2 LEU 515 -3.908 1.384 1.187 70 H HIS 516 H HIS 516 -0.814 0.592 6.893 71 HA HIS 516 HA HIS 516 -1.917 3.205 7.645 72 HB2 HIS 516 2HB HIS 516 -1.750 0.566 9.014 73 HB3 HIS 516 1HB HIS 516 -1.701 2.015 10.012 74 HD1 HIS 516 1HD HIS 516 -3.768 2.651 7.130 75 HD2 HIS 516 2HD HIS 516 -4.300 0.819 10.821 76 HE1 HIS 516 1HE HIS 516 -6.256 2.572 7.489 77 HE2 HIS 516 2HE HIS 516 -6.557 1.382 9.689 78 H TYR 517 H TYR 517 1.080 1.742 7.137 79 HA TYR 517 HA TYR 517 2.460 2.809 9.386 80 HB2 TYR 517 2HB TYR 517 4.442 2.037 8.421 81 HB3 TYR 517 1HB TYR 517 3.232 0.912 7.827 82 HD1 TYR 517 1HD TYR 517 4.762 4.164 6.769 83 HD2 TYR 517 2HD TYR 517 3.420 0.292 5.620 84 HE1 TYR 517 1HE TYR 517 5.490 4.598 4.473 85 HE2 TYR 517 2HE TYR 517 4.142 0.724 3.320 86 HH TYR 517 HH TYR 517 5.100 3.848 2.240 87 H TRP 518 H TRP 518 1.197 4.242 6.585 88 HA TRP 518 HA TRP 518 2.975 6.549 6.738 89 HB2 TRP 518 2HB TRP 518 2.002 5.299 4.567 90 HB3 TRP 518 1HB TRP 518 0.752 6.520 4.802 91 HD1 TRP 518 HD TRP 518 1.256 8.408 3.186 92 HE1 TRP 518 1HE TRP 518 3.327 9.781 2.508 93 HE3 TRP 518 3HE TRP 518 4.769 5.922 5.907 94 HZ2 TRP 518 2HZ TRP 518 6.095 9.801 3.072 95 HZ3 TRP 518 3HZ TRP 518 7.108 6.677 5.795 96 HH2 TRP 518 HH TRP 518 7.757 8.578 4.405 97 H THR 519 H THR 519 1.104 8.435 5.821 98 HA THR 519 HA THR 519 -0.638 8.670 8.173 99 HB THR 519 HB THR 519 0.863 10.301 8.664 100 HG1 THR 519 1HG THR 519 -1.132 11.380 8.144 101 HG21 THR 519 3HG2 THR 519 2.293 9.779 6.691 102 HG22 THR 519 1HG2 THR 519 2.279 11.477 7.178 103 HG23 THR 519 2HG2 THR 519 1.345 10.956 5.777 104 H THR 520 H THR 520 -0.418 8.700 4.768 105 HA THR 520 HA THR 520 -3.181 8.791 4.379 106 HB THR 520 HB THR 520 -2.589 11.256 5.038 107 HG1 THR 520 1HG THR 520 -4.560 11.314 4.369 108 HG21 THR 520 3HG2 THR 520 -2.154 12.706 3.128 109 HG22 THR 520 1HG2 THR 520 -1.882 11.289 2.109 110 HG23 THR 520 2HG2 THR 520 -0.790 11.636 3.453 111 H GLN 521 H GLN 521 -0.146 9.848 2.872 112 HA GLN 521 HA GLN 521 -0.716 9.506 0.229 113 HB2 GLN 521 2HB GLN 521 1.568 9.949 1.691 114 HB3 GLN 521 1HB GLN 521 1.902 8.400 0.927 115 HG2 GLN 521 2HG GLN 521 1.604 9.315 -1.246 116 HG3 GLN 521 1HG GLN 521 0.975 10.824 -0.587 117 HE21 GLN 521 1HE2 GLN 521 3.810 8.896 -1.145 118 HE22 GLN 521 2HE2 GLN 521 4.968 10.140 -0.833 119 H ASP 522 H ASP 522 -0.247 7.834 -1.285 120 HA ASP 522 HA ASP 522 -1.510 5.433 -0.778 121 HB2 ASP 522 2HB ASP 522 0.338 6.392 -2.915 122 HB3 ASP 522 1HB ASP 522 -0.073 4.683 -2.867 123 H GLU 523 H GLU 523 1.704 6.365 -0.068 124 HA GLU 523 HA GLU 523 3.567 5.252 0.648 125 HB2 GLU 523 2HB GLU 523 3.144 3.859 2.625 126 HB3 GLU 523 1HB GLU 523 2.295 5.388 2.671 127 HG2 GLU 523 2HG GLU 523 0.812 3.766 3.510 128 HG3 GLU 523 1HG GLU 523 0.252 4.157 1.885 129 H GLY 524 H GLY 524 2.429 4.078 -1.731 130 HA2 GLY 524 2HA GLY 524 3.708 2.260 -2.799 131 HA3 GLY 524 1HA GLY 524 3.376 1.307 -1.359 132 H ALA 525 H ALA 525 0.729 3.174 -2.169 133 HA ALA 525 HA ALA 525 -0.852 0.927 -2.847 134 HB1 ALA 525 1HB ALA 525 -2.569 2.281 -2.385 135 HB2 ALA 525 2HB ALA 525 -2.017 3.512 -3.519 136 HB3 ALA 525 3HB ALA 525 -1.348 3.454 -1.890 137 H ALA 526 H ALA 526 0.947 0.595 -4.686 138 HA ALA 526 HA ALA 526 1.381 0.382 -6.895 139 HB1 ALA 526 1HB ALA 526 -0.558 -0.678 -7.399 140 HB2 ALA 526 2HB ALA 526 -0.808 0.783 -8.354 141 HB3 ALA 526 3HB ALA 526 -1.564 0.627 -6.768 142 H ILE 527 H ILE 527 2.732 2.202 -6.823 143 HA ILE 527 HA ILE 527 2.191 4.125 -8.799 144 HB ILE 527 HB ILE 527 0.815 5.139 -7.155 145 HG12 ILE 527 2HG1 ILE 527 3.333 6.753 -6.911 146 HG13 ILE 527 1HG1 ILE 527 2.582 6.532 -8.488 147 HG21 ILE 527 1HG2 ILE 527 1.313 5.437 -4.936 148 HG22 ILE 527 2HG2 ILE 527 3.055 5.383 -5.216 149 HG23 ILE 527 3HG2 ILE 527 2.098 3.899 -5.300 150 HD11 ILE 527 3HD1 ILE 527 0.660 7.343 -6.490 151 HD12 ILE 527 1HD1 ILE 527 1.040 8.063 -8.054 152 HD13 ILE 527 2HD1 ILE 527 1.994 8.488 -6.633 153 H GLY 528 H GLY 528 4.024 3.649 -5.785 154 HA2 GLY 528 2HA GLY 528 6.273 3.623 -5.363 155 HA3 GLY 528 1HA GLY 528 6.488 3.257 -7.063 156 H ALA 529 H ALA 529 5.023 5.963 -7.588 157 HA ALA 529 HA ALA 529 5.780 7.990 -8.323 158 HB1 ALA 529 1HB ALA 529 5.941 9.445 -6.597 159 HB2 ALA 529 2HB ALA 529 7.138 8.472 -5.743 160 HB3 ALA 529 3HB ALA 529 5.431 8.031 -5.673 161 H ALA 530 H ALA 530 7.581 5.812 -8.906 162 HA ALA 530 HA ALA 530 9.738 7.034 -10.028 163 HB1 ALA 530 1HB ALA 530 11.149 7.617 -8.397 164 HB2 ALA 530 2HB ALA 530 11.306 5.911 -7.972 165 HB3 ALA 530 3HB ALA 530 10.090 6.909 -7.177 166 H TRP 531 H TRP 531 8.189 5.026 -10.793 167 HA TRP 531 HA TRP 531 7.963 2.742 -11.158 168 HB2 TRP 531 2HB TRP 531 10.103 2.008 -12.468 169 HB3 TRP 531 1HB TRP 531 9.008 3.209 -13.147 170 HD1 TRP 531 HD TRP 531 12.012 3.528 -10.707 171 HE1 TRP 531 1HE TRP 531 13.567 5.377 -11.603 172 HE3 TRP 531 3HE TRP 531 9.447 4.753 -14.953 173 HZ2 TRP 531 2HZ TRP 531 13.685 7.123 -13.820 174 HZ3 TRP 531 3HZ TRP 531 10.345 6.521 -16.408 175 HH2 TRP 531 HH TRP 531 12.421 7.682 -15.851 176 H ILE 532 H ILE 532 8.541 3.012 -8.597 177 HA ILE 532 HA ILE 532 10.259 0.705 -8.114 178 HB ILE 532 HB ILE 532 11.441 2.829 -7.693 179 HG12 ILE 532 2HG1 ILE 532 10.865 1.332 -5.126 180 HG13 ILE 532 1HG1 ILE 532 11.908 0.716 -6.397 181 HG21 ILE 532 1HG2 ILE 532 9.757 3.349 -5.307 182 HG22 ILE 532 2HG2 ILE 532 9.110 3.792 -6.892 183 HG23 ILE 532 3HG2 ILE 532 10.647 4.471 -6.339 184 HD11 ILE 532 3HD1 ILE 532 13.015 1.849 -4.416 185 HD12 ILE 532 1HD1 ILE 532 12.399 3.362 -5.084 186 HD13 ILE 532 2HD1 ILE 532 13.513 2.373 -6.029 187 HA PRO 533 HA PRO 533 6.174 1.215 -5.532 188 HB2 PRO 533 2HB PRO 533 4.341 -0.037 -7.133 189 HB3 PRO 533 1HB PRO 533 4.545 1.714 -7.068 190 HG2 PRO 533 2HG PRO 533 5.592 -0.237 -9.067 191 HG3 PRO 533 1HG PRO 533 4.921 1.382 -9.323 192 HD2 PRO 533 2HD PRO 533 7.570 0.885 -9.356 193 HD3 PRO 533 1HD PRO 533 6.889 2.423 -8.787 194 H TYR 534 H TYR 534 7.726 -1.070 -7.525 195 HA TYR 534 HA TYR 534 6.690 -3.502 -6.713 196 HB2 TYR 534 2HB TYR 534 9.535 -2.777 -7.459 197 HB3 TYR 534 1HB TYR 534 8.889 -4.415 -7.407 198 HD1 TYR 534 2HD TYR 534 8.715 -1.161 -9.232 199 HD2 TYR 534 1HD TYR 534 7.563 -5.276 -9.176 200 HE1 TYR 534 2HE TYR 534 7.969 -0.991 -11.560 201 HE2 TYR 534 1HE TYR 534 6.818 -5.096 -11.509 202 HH TYR 534 HH TYR 534 7.550 -2.388 -13.474 203 H PHE 535 H PHE 535 9.614 -1.878 -5.459 204 HA PHE 535 HA PHE 535 9.045 -3.067 -2.833 205 HB2 PHE 535 2HB PHE 535 11.739 -2.931 -4.184 206 HB3 PHE 535 1HB PHE 535 11.483 -3.417 -2.513 207 HD1 PHE 535 2HD PHE 535 10.680 -4.313 -6.017 208 HD2 PHE 535 1HD PHE 535 10.936 -5.624 -1.977 209 HE1 PHE 535 2HE PHE 535 10.328 -6.634 -6.753 210 HE2 PHE 535 1HE PHE 535 10.584 -7.948 -2.705 211 HZ PHE 535 HZ PHE 535 10.279 -8.455 -5.096 212 H GLY 536 H GLY 536 9.081 -0.283 -4.374 213 HA2 GLY 536 2HA GLY 536 10.862 1.433 -3.085 214 HA3 GLY 536 1HA GLY 536 9.298 1.913 -3.736 215 HA PRO 537 HA PRO 537 8.226 2.556 0.565 216 HB2 PRO 537 2HB PRO 537 5.759 3.447 0.249 217 HB3 PRO 537 1HB PRO 537 7.095 4.380 -0.453 218 HG2 PRO 537 2HG PRO 537 5.352 2.324 -1.784 219 HG3 PRO 537 1HG PRO 537 5.663 3.993 -2.314 220 HD2 PRO 537 2HD PRO 537 7.021 1.867 -3.288 221 HD3 PRO 537 1HD PRO 537 7.789 3.459 -3.080 222 H ALA 538 H ALA 538 7.972 -0.042 -0.883 223 HA ALA 538 HA ALA 538 5.784 -1.225 0.637 224 HB1 ALA 538 1HB ALA 538 5.423 -2.780 -1.156 225 HB2 ALA 538 2HB ALA 538 6.836 -2.177 -2.027 226 HB3 ALA 538 3HB ALA 538 5.410 -1.155 -1.842 227 H ALA 539 H ALA 539 9.071 -1.134 -0.321 228 HA ALA 539 HA ALA 539 9.745 -3.094 1.666 229 HB1 ALA 539 1HB ALA 539 11.226 -4.284 -0.134 230 HB2 ALA 539 2HB ALA 539 9.985 -3.674 -1.227 231 HB3 ALA 539 3HB ALA 539 9.539 -4.734 0.111 232 H GLU 540 H GLU 540 10.360 -0.184 0.630 233 HA GLU 540 HA GLU 540 13.224 -0.218 0.296 234 HB2 GLU 540 2HB GLU 540 13.073 2.215 0.528 235 HB3 GLU 540 1HB GLU 540 11.903 1.618 -0.636 236 HG2 GLU 540 2HG GLU 540 10.255 1.637 1.339 237 HG3 GLU 540 1HG GLU 540 11.442 2.685 2.116 238 H GLY 541 H GLY 541 12.972 -1.732 2.327 239 HA2 GLY 541 2HA GLY 541 14.153 -1.829 4.404 240 HA3 GLY 541 1HA GLY 541 13.753 -0.130 4.662 241 H ILE 542 H ILE 542 11.014 -0.970 3.491 242 HA ILE 542 HA ILE 542 9.590 -1.099 5.889 243 HB ILE 542 HB ILE 542 8.980 -1.176 3.012 244 HG12 ILE 542 2HG1 ILE 542 7.276 -0.074 5.219 245 HG13 ILE 542 1HG1 ILE 542 8.789 0.712 4.779 246 HG21 ILE 542 1HG2 ILE 542 7.780 -3.132 3.315 247 HG22 ILE 542 2HG2 ILE 542 6.561 -1.876 3.575 248 HG23 ILE 542 3HG2 ILE 542 7.286 -2.699 4.955 249 HD11 ILE 542 3HD1 ILE 542 7.199 1.844 3.541 250 HD12 ILE 542 1HD1 ILE 542 6.307 0.372 3.157 251 HD13 ILE 542 2HD1 ILE 542 7.864 0.685 2.391 252 H TYR 543 H TYR 543 10.379 -3.615 3.502 253 HA TYR 543 HA TYR 543 9.027 -5.771 4.424 254 HB2 TYR 543 2HB TYR 543 10.790 -7.192 3.534 255 HB3 TYR 543 1HB TYR 543 10.505 -5.823 2.464 256 HD1 TYR 543 2HD TYR 543 12.054 -3.783 2.790 257 HD2 TYR 543 1HD TYR 543 12.945 -7.677 4.219 258 HE1 TYR 543 2HE TYR 543 14.443 -3.188 2.883 259 HE2 TYR 543 1HE TYR 543 15.340 -7.105 4.322 260 HH TYR 543 HH TYR 543 16.633 -4.357 2.843 261 H ALA 544 H ALA 544 11.719 -4.225 5.992 262 HA ALA 544 HA ALA 544 12.585 -6.205 7.739 263 HB1 ALA 544 1HB ALA 544 13.333 -4.393 9.181 264 HB2 ALA 544 2HB ALA 544 12.317 -3.258 8.293 265 HB3 ALA 544 3HB ALA 544 13.681 -4.035 7.490 266 H GLU 545 H GLU 545 9.573 -4.659 7.580 267 HA GLU 545 HA GLU 545 8.649 -4.555 10.179 268 HB2 GLU 545 2HB GLU 545 6.389 -5.062 9.055 269 HB3 GLU 545 1HB GLU 545 7.263 -3.642 8.497 270 HG2 GLU 545 2HG GLU 545 6.744 -4.506 6.483 271 HG3 GLU 545 1HG GLU 545 8.222 -5.422 6.758 272 H GLY 546 H GLY 546 8.669 -7.196 7.866 273 HA2 GLY 546 2HA GLY 546 8.357 -9.443 8.080 274 HA3 GLY 546 1HA GLY 546 9.229 -9.240 9.586 275 H LEU 547 H LEU 547 6.078 -7.755 9.094 276 HA LEU 547 HA LEU 547 4.800 -9.918 10.570 277 HB2 LEU 547 2HB LEU 547 4.090 -8.687 12.387 278 HB3 LEU 547 1HB LEU 547 5.738 -8.142 12.158 279 HG LEU 547 HG LEU 547 3.392 -6.610 11.059 280 HD11 LEU 547 1HD1 LEU 547 3.061 -5.498 13.014 281 HD12 LEU 547 2HD1 LEU 547 4.710 -5.772 13.579 282 HD13 LEU 547 3HD1 LEU 547 3.520 -7.072 13.664 283 HD21 LEU 547 3HD2 LEU 547 5.918 -5.354 11.936 284 HD22 LEU 547 1HD2 LEU 547 4.886 -4.987 10.554 285 HD23 LEU 547 2HD2 LEU 547 5.991 -6.360 10.490 286 H MET 548 H MET 548 4.344 -6.790 8.941 287 HA MET 548 HA MET 548 2.313 -7.712 7.269 288 HB2 MET 548 2HB MET 548 1.410 -6.950 9.937 289 HB3 MET 548 1HB MET 548 0.582 -6.066 8.662 290 HG2 MET 548 2HG MET 548 0.501 -8.602 7.694 291 HG3 MET 548 1HG MET 548 0.401 -8.884 9.431 292 HE1 MET 548 3HE MET 548 -3.147 -9.149 9.583 293 HE2 MET 548 1HE MET 548 -2.210 -8.299 10.813 294 HE3 MET 548 2HE MET 548 -1.509 -9.679 9.966 295 H HIS 549 H HIS 549 3.964 -5.077 8.796 296 HA HIS 549 HA HIS 549 2.841 -2.888 7.522 297 HB2 HIS 549 2HB HIS 549 5.312 -3.470 8.936 298 HB3 HIS 549 1HB HIS 549 5.533 -2.254 7.682 299 HD1 HIS 549 1HD HIS 549 2.445 -1.234 8.217 300 HD2 HIS 549 2HD HIS 549 5.613 -1.451 10.896 301 HE1 HIS 549 1HE HIS 549 1.888 0.389 10.043 302 HE2 HIS 549 2HE HIS 549 3.868 0.325 11.600 303 H ASN 550 H ASN 550 4.482 -5.464 6.037 304 HA ASN 550 HA ASN 550 5.771 -4.103 3.922 305 HB2 ASN 550 2HB ASN 550 5.514 -6.763 4.771 306 HB3 ASN 550 1HB ASN 550 4.844 -6.731 3.145 307 HD21 ASN 550 1HD2 ASN 550 7.181 -8.092 3.890 308 HD22 ASN 550 2HD2 ASN 550 8.511 -7.373 3.053 309 H GLN 551 H GLN 551 2.579 -4.062 4.584 310 HA GLN 551 HA GLN 551 1.107 -4.748 2.409 311 HB2 GLN 551 2HB GLN 551 -0.380 -2.841 2.993 312 HB3 GLN 551 1HB GLN 551 0.087 -3.816 4.380 313 HG2 GLN 551 2HG GLN 551 2.034 -1.834 4.206 314 HG3 GLN 551 1HG GLN 551 0.512 -1.013 3.871 315 HE21 GLN 551 1HE2 GLN 551 1.111 -3.787 5.972 316 HE22 GLN 551 2HE2 GLN 551 0.608 -3.014 7.432 317 H ASP 552 H ASP 552 0.021 -3.128 0.869 318 HA ASP 552 HA ASP 552 2.044 -1.382 -0.375 319 HB2 ASP 552 2HB ASP 552 1.196 -3.752 -1.468 320 HB3 ASP 552 1HB ASP 552 0.095 -2.598 -2.215 321 H GLY 553 H GLY 553 -1.423 -2.152 -0.142 322 HA2 GLY 553 2HA GLY 553 -2.877 -0.320 0.597 323 HA3 GLY 553 1HA GLY 553 -1.946 0.739 -0.447 324 H LEU 554 H LEU 554 -3.283 -2.480 -1.144 325 HA LEU 554 HA LEU 554 -4.324 -1.620 -3.649 326 HB2 LEU 554 2HB LEU 554 -5.426 -3.863 -3.683 327 HB3 LEU 554 1HB LEU 554 -3.691 -3.910 -3.440 328 HG LEU 554 HG LEU 554 -4.521 -3.940 -0.868 329 HD11 LEU 554 1HD1 LEU 554 -6.672 -4.405 -0.655 330 HD12 LEU 554 2HD1 LEU 554 -6.396 -5.938 -1.481 331 HD13 LEU 554 3HD1 LEU 554 -6.863 -4.509 -2.405 332 HD21 LEU 554 3HD2 LEU 554 -4.089 -6.330 -0.910 333 HD22 LEU 554 1HD2 LEU 554 -2.934 -5.475 -1.932 334 HD23 LEU 554 2HD2 LEU 554 -4.280 -6.349 -2.663 335 H ILE 555 H ILE 555 -5.935 -0.206 -3.737 336 HA ILE 555 HA ILE 555 -8.352 -0.753 -2.178 337 HB ILE 555 HB ILE 555 -7.326 2.031 -2.670 338 HG12 ILE 555 2HG1 ILE 555 -5.714 1.024 -1.213 339 HG13 ILE 555 1HG1 ILE 555 -6.754 2.048 -0.230 340 HG21 ILE 555 1HG2 ILE 555 -9.152 2.786 -1.581 341 HG22 ILE 555 2HG2 ILE 555 -9.185 1.417 -0.471 342 HG23 ILE 555 3HG2 ILE 555 -9.828 1.243 -2.105 343 HD11 ILE 555 3HD1 ILE 555 -7.168 0.332 1.086 344 HD12 ILE 555 1HD1 ILE 555 -6.173 -0.705 0.066 345 HD13 ILE 555 2HD1 ILE 555 -7.893 -0.528 -0.272 346 H CYS 556 H CYS 556 -9.829 -1.220 -3.597 347 HA CYS 556 HA CYS 556 -9.787 -0.695 -6.330 348 HB2 CYS 556 2HB CYS 556 -12.349 -1.053 -4.790 349 HB3 CYS 556 1HB CYS 556 -11.974 -1.583 -6.426 350 H GLY 557 H GLY 557 -11.089 1.195 -3.671 351 HA2 GLY 557 2HA GLY 557 -11.308 3.561 -3.814 352 HA3 GLY 557 1HA GLY 557 -11.508 3.403 -5.554 353 H LEU 558 H LEU 558 -13.398 1.213 -5.311 354 HA LEU 558 HA LEU 558 -15.626 1.918 -3.775 355 HB2 LEU 558 2HB LEU 558 -17.053 2.949 -5.412 356 HB3 LEU 558 1HB LEU 558 -15.578 3.885 -5.275 357 HG LEU 558 HG LEU 558 -15.744 1.826 -7.435 358 HD11 LEU 558 1HD1 LEU 558 -17.801 2.826 -7.864 359 HD12 LEU 558 2HD1 LEU 558 -16.674 3.719 -8.887 360 HD13 LEU 558 3HD1 LEU 558 -17.236 4.423 -7.370 361 HD21 LEU 558 3HD2 LEU 558 -14.039 4.012 -6.680 362 HD22 LEU 558 1HD2 LEU 558 -14.660 4.254 -8.313 363 HD23 LEU 558 2HD2 LEU 558 -13.795 2.770 -7.910 364 H ARG 559 H ARG 559 -14.476 0.608 -6.803 365 HA ARG 559 HA ARG 559 -15.083 -2.015 -6.535 366 HB2 ARG 559 2HB ARG 559 -17.482 -0.429 -7.304 367 HB3 ARG 559 1HB ARG 559 -17.194 -1.928 -8.174 368 HG2 ARG 559 2HG ARG 559 -17.881 -3.174 -6.468 369 HG3 ARG 559 1HG ARG 559 -16.939 -2.242 -5.303 370 HD2 ARG 559 2HD ARG 559 -19.152 -1.885 -4.644 371 HD3 ARG 559 1HD ARG 559 -18.745 -0.443 -5.576 372 HE ARG 559 HE ARG 559 -20.273 -1.066 -7.170 373 HH11 ARG 559 1HH1 ARG 559 -19.734 -3.738 -4.989 374 HH12 ARG 559 2HH1 ARG 559 -21.047 -4.677 -5.616 375 HH21 ARG 559 1HH2 ARG 559 -21.999 -2.302 -7.995 376 HH22 ARG 559 2HH2 ARG 559 -22.332 -3.863 -7.323 377 H GLN 560 H GLN 560 -13.467 -2.456 -7.918 378 HA GLN 560 HA GLN 560 -13.746 -1.417 -10.652 379 HB2 GLN 560 2HB GLN 560 -11.261 -1.358 -10.792 380 HB3 GLN 560 1HB GLN 560 -11.930 -0.223 -9.626 381 HG2 GLN 560 2HG GLN 560 -10.487 -1.040 -8.163 382 HG3 GLN 560 1HG GLN 560 -11.466 -2.505 -8.137 383 HE21 GLN 560 1HE2 GLN 560 -8.899 -2.784 -7.518 384 HE22 GLN 560 2HE2 GLN 560 -8.016 -3.534 -8.800 Start of MODEL 20 1 H1 ALA 507 1HT ALA 507 -20.573 2.139 -4.433 2 H2 ALA 507 2HT ALA 507 -19.662 0.708 -4.695 3 H3 ALA 507 3HT ALA 507 -18.914 2.245 -4.850 4 HA ALA 507 HA ALA 507 -18.851 2.616 -2.646 5 HB1 ALA 507 2HB ALA 507 -20.389 1.929 -1.106 6 HB2 ALA 507 3HB ALA 507 -20.653 0.376 -1.896 7 HB3 ALA 507 1HB ALA 507 -21.377 1.838 -2.564 8 H GLN 508 H GLN 508 -17.214 1.804 -1.444 9 HA GLN 508 HA GLN 508 -15.695 -0.335 -2.396 10 HB2 GLN 508 2HB GLN 508 -14.401 -0.114 -0.311 11 HB3 GLN 508 1HB GLN 508 -14.716 1.445 -1.061 12 HG2 GLN 508 2HG GLN 508 -16.425 1.942 0.532 13 HG3 GLN 508 1HG GLN 508 -16.338 0.315 1.205 14 HE21 GLN 508 1HE2 GLN 508 -13.872 2.714 0.339 15 HE22 GLN 508 2HE2 GLN 508 -13.118 2.752 1.894 16 HA PRO 509 HA PRO 509 -17.830 -3.688 -0.369 17 HB2 PRO 509 2HB PRO 509 -16.241 -5.649 -1.520 18 HB3 PRO 509 1HB PRO 509 -17.654 -4.913 -2.276 19 HG2 PRO 509 2HG PRO 509 -14.927 -4.672 -3.072 20 HG3 PRO 509 1HG PRO 509 -16.337 -3.868 -3.778 21 HD2 PRO 509 2HD PRO 509 -14.349 -2.832 -1.839 22 HD3 PRO 509 1HD PRO 509 -15.350 -1.957 -3.015 23 H LYS 510 H LYS 510 -15.290 -2.376 0.807 24 HA LYS 510 HA LYS 510 -13.900 -2.720 2.569 25 HB2 LYS 510 2HB LYS 510 -15.920 -4.901 2.979 26 HB3 LYS 510 1HB LYS 510 -14.580 -4.664 4.088 27 HG2 LYS 510 2HG LYS 510 -15.449 -2.757 4.957 28 HG3 LYS 510 1HG LYS 510 -16.227 -2.294 3.441 29 HD2 LYS 510 2HD LYS 510 -18.057 -2.852 4.718 30 HD3 LYS 510 1HD LYS 510 -17.722 -4.393 3.928 31 HE2 LYS 510 2HE LYS 510 -16.387 -3.832 6.522 32 HE3 LYS 510 1HE LYS 510 -18.110 -4.208 6.544 33 HZ1 LYS 510 3HZ LYS 510 -17.749 -6.333 5.893 34 HZ2 LYS 510 1HZ LYS 510 -16.261 -6.072 6.657 35 HZ3 LYS 510 2HZ LYS 510 -16.380 -5.958 4.973 36 H CYS 511 H CYS 511 -12.217 -3.233 0.986 37 HA CYS 511 HA CYS 511 -11.116 -5.857 1.526 38 HB2 CYS 511 2HB CYS 511 -10.597 -5.802 -1.141 39 HB3 CYS 511 1HB CYS 511 -11.913 -6.703 -0.399 40 H ASN 512 H ASN 512 -10.469 -3.064 2.149 41 HA ASN 512 HA ASN 512 -8.178 -2.313 0.604 42 HB2 ASN 512 2HB ASN 512 -9.085 -1.413 3.350 43 HB3 ASN 512 1HB ASN 512 -7.807 -0.652 2.408 44 HD21 ASN 512 1HD2 ASN 512 -10.334 0.432 3.402 45 HD22 ASN 512 2HD2 ASN 512 -11.173 1.026 2.013 46 HA PRO 513 HA PRO 513 -5.188 -4.730 2.755 47 HB2 PRO 513 2HB PRO 513 -2.917 -3.418 2.321 48 HB3 PRO 513 1HB PRO 513 -3.862 -4.057 0.973 49 HG2 PRO 513 2HG PRO 513 -3.744 -1.257 2.031 50 HG3 PRO 513 1HG PRO 513 -3.713 -1.816 0.350 51 HD2 PRO 513 2HD PRO 513 -5.964 -0.905 1.652 52 HD3 PRO 513 1HD PRO 513 -5.987 -1.982 0.240 53 H ASN 514 H ASN 514 -3.085 -2.196 3.581 54 HA ASN 514 HA ASN 514 -4.092 -2.059 6.341 55 HB2 ASN 514 2HB ASN 514 -1.516 -3.072 5.323 56 HB3 ASN 514 1HB ASN 514 -1.399 -1.964 6.684 57 HD21 ASN 514 1HD2 ASN 514 -3.013 -4.910 5.593 58 HD22 ASN 514 2HD2 ASN 514 -3.142 -5.635 7.155 59 H LEU 515 H LEU 515 -1.329 -0.891 4.507 60 HA LEU 515 HA LEU 515 -0.262 1.128 4.535 61 HB2 LEU 515 2HB LEU 515 -1.471 2.730 3.248 62 HB3 LEU 515 1HB LEU 515 -1.846 1.115 2.670 63 HG LEU 515 HG LEU 515 -3.850 1.597 4.497 64 HD11 LEU 515 1HD1 LEU 515 -4.191 3.985 2.898 65 HD12 LEU 515 2HD1 LEU 515 -2.788 4.098 3.963 66 HD13 LEU 515 3HD1 LEU 515 -4.380 3.752 4.636 67 HD21 LEU 515 3HD2 LEU 515 -4.469 0.521 2.571 68 HD22 LEU 515 1HD2 LEU 515 -3.622 1.666 1.531 69 HD23 LEU 515 2HD2 LEU 515 -5.149 2.123 2.285 70 H HIS 516 H HIS 516 -0.826 0.603 7.109 71 HA HIS 516 HA HIS 516 -1.961 3.081 8.197 72 HB2 HIS 516 2HB HIS 516 -1.973 0.291 9.064 73 HB3 HIS 516 1HB HIS 516 -1.513 1.404 10.349 74 HD1 HIS 516 1HD HIS 516 -3.425 3.749 9.408 75 HD2 HIS 516 2HD HIS 516 -4.521 -0.217 9.993 76 HE1 HIS 516 1HE HIS 516 -5.902 3.793 9.842 77 HE2 HIS 516 2HE HIS 516 -6.526 1.391 10.281 78 H TYR 517 H TYR 517 1.022 1.704 7.476 79 HA TYR 517 HA TYR 517 2.438 2.629 9.794 80 HB2 TYR 517 2HB TYR 517 4.389 1.789 8.804 81 HB3 TYR 517 1HB TYR 517 3.134 0.715 8.206 82 HD1 TYR 517 2HD TYR 517 4.723 3.948 7.175 83 HD2 TYR 517 1HD TYR 517 3.325 0.111 5.981 84 HE1 TYR 517 2HE TYR 517 5.428 4.416 4.878 85 HE2 TYR 517 1HE TYR 517 4.032 0.569 3.679 86 HH TYR 517 HH TYR 517 6.032 3.211 2.858 87 H TRP 518 H TRP 518 1.431 4.003 6.796 88 HA TRP 518 HA TRP 518 3.073 6.383 7.278 89 HB2 TRP 518 2HB TRP 518 2.988 4.951 5.009 90 HB3 TRP 518 1HB TRP 518 1.663 6.070 4.702 91 HD1 TRP 518 HD TRP 518 2.483 8.010 3.316 92 HE1 TRP 518 1HE TRP 518 4.606 9.462 3.195 93 HE3 TRP 518 3HE TRP 518 5.222 5.719 6.956 94 HZ2 TRP 518 2HZ TRP 518 7.114 9.612 4.485 95 HZ3 TRP 518 3HZ TRP 518 7.474 6.574 7.458 96 HH2 TRP 518 HH TRP 518 8.398 8.481 6.247 97 H THR 519 H THR 519 2.139 8.133 7.896 98 HA THR 519 HA THR 519 -0.029 8.787 9.041 99 HB THR 519 HB THR 519 1.359 10.580 8.455 100 HG1 THR 519 1HG THR 519 -0.315 11.821 8.460 101 HG21 THR 519 3HG2 THR 519 0.665 10.927 5.657 102 HG22 THR 519 1HG2 THR 519 1.574 9.448 5.970 103 HG23 THR 519 2HG2 THR 519 2.233 11.010 6.461 104 H THR 520 H THR 520 -0.217 8.752 5.463 105 HA THR 520 HA THR 520 -2.667 7.398 5.359 106 HB THR 520 HB THR 520 -3.328 9.660 6.428 107 HG1 THR 520 1HG THR 520 -5.277 9.635 5.218 108 HG21 THR 520 3HG2 THR 520 -3.905 11.427 4.859 109 HG22 THR 520 1HG2 THR 520 -3.115 10.538 3.555 110 HG23 THR 520 2HG2 THR 520 -2.162 11.156 4.905 111 H GLN 521 H GLN 521 -0.842 10.018 3.798 112 HA GLN 521 HA GLN 521 -1.629 9.833 1.213 113 HB2 GLN 521 2HB GLN 521 0.673 10.467 0.554 114 HB3 GLN 521 1HB GLN 521 0.043 11.431 1.884 115 HG2 GLN 521 2HG GLN 521 1.272 9.660 3.358 116 HG3 GLN 521 1HG GLN 521 2.192 9.372 1.883 117 HE21 GLN 521 1HE2 GLN 521 2.996 10.505 4.477 118 HE22 GLN 521 2HE2 GLN 521 3.681 12.050 4.118 119 H ASP 522 H ASP 522 -0.938 8.722 -0.643 120 HA ASP 522 HA ASP 522 -0.898 5.978 -0.476 121 HB2 ASP 522 2HB ASP 522 0.168 7.749 -2.680 122 HB3 ASP 522 1HB ASP 522 -0.090 6.014 -2.842 123 H GLU 523 H GLU 523 0.575 5.188 0.993 124 HA GLU 523 HA GLU 523 3.411 5.711 0.585 125 HB2 GLU 523 2HB GLU 523 3.731 4.428 2.637 126 HB3 GLU 523 1HB GLU 523 2.564 5.719 2.861 127 HG2 GLU 523 2HG GLU 523 1.538 3.024 2.161 128 HG3 GLU 523 1HG GLU 523 2.158 3.280 3.792 129 H GLY 524 H GLY 524 2.851 4.620 -1.592 130 HA2 GLY 524 2HA GLY 524 4.011 2.826 -2.724 131 HA3 GLY 524 1HA GLY 524 3.617 1.783 -1.360 132 H ALA 525 H ALA 525 1.125 3.879 -2.201 133 HA ALA 525 HA ALA 525 -0.648 1.807 -2.902 134 HB1 ALA 525 1HB ALA 525 -1.287 4.620 -3.610 135 HB2 ALA 525 2HB ALA 525 -1.026 4.227 -1.912 136 HB3 ALA 525 3HB ALA 525 -2.286 3.396 -2.825 137 H ALA 526 H ALA 526 1.162 1.209 -4.677 138 HA ALA 526 HA ALA 526 1.627 0.866 -6.865 139 HB1 ALA 526 1HB ALA 526 -0.435 1.268 -8.416 140 HB2 ALA 526 2HB ALA 526 -1.292 1.466 -6.887 141 HB3 ALA 526 3HB ALA 526 -0.450 -0.044 -7.238 142 H ILE 527 H ILE 527 3.142 2.519 -6.954 143 HA ILE 527 HA ILE 527 2.767 4.392 -9.000 144 HB ILE 527 HB ILE 527 1.499 5.607 -7.399 145 HG12 ILE 527 2HG1 ILE 527 4.170 6.984 -7.314 146 HG13 ILE 527 1HG1 ILE 527 3.320 6.774 -8.841 147 HG21 ILE 527 1HG2 ILE 527 3.791 5.754 -5.509 148 HG22 ILE 527 2HG2 ILE 527 2.690 4.374 -5.485 149 HG23 ILE 527 3HG2 ILE 527 2.070 6.004 -5.208 150 HD11 ILE 527 3HD1 ILE 527 2.951 8.761 -6.846 151 HD12 ILE 527 1HD1 ILE 527 1.466 7.823 -6.995 152 HD13 ILE 527 2HD1 ILE 527 2.162 8.604 -8.414 153 H GLY 528 H GLY 528 4.553 3.866 -5.972 154 HA2 GLY 528 2HA GLY 528 6.791 3.669 -5.539 155 HA3 GLY 528 1HA GLY 528 6.965 3.181 -7.212 156 H ALA 529 H ALA 529 5.787 5.994 -7.903 157 HA ALA 529 HA ALA 529 6.751 7.886 -8.749 158 HB1 ALA 529 1HB ALA 529 6.395 8.143 -6.131 159 HB2 ALA 529 2HB ALA 529 7.125 9.417 -7.110 160 HB3 ALA 529 3HB ALA 529 8.148 8.329 -6.171 161 H ALA 530 H ALA 530 8.306 5.506 -9.223 162 HA ALA 530 HA ALA 530 10.571 6.421 -10.409 163 HB1 ALA 530 1HB ALA 530 12.052 5.285 -8.310 164 HB2 ALA 530 2HB ALA 530 10.931 6.410 -7.547 165 HB3 ALA 530 3HB ALA 530 12.026 6.978 -8.806 166 H TRP 531 H TRP 531 8.816 4.534 -11.039 167 HA TRP 531 HA TRP 531 8.361 2.262 -11.252 168 HB2 TRP 531 2HB TRP 531 10.404 1.238 -12.524 169 HB3 TRP 531 1HB TRP 531 9.423 2.493 -13.275 170 HD1 TRP 531 HD TRP 531 12.471 2.687 -10.876 171 HE1 TRP 531 1HE TRP 531 14.185 4.310 -11.908 172 HE3 TRP 531 3HE TRP 531 9.990 3.848 -15.190 173 HZ2 TRP 531 2HZ TRP 531 14.449 5.873 -14.246 174 HZ3 TRP 531 3HZ TRP 531 11.040 5.414 -16.772 175 HH2 TRP 531 HH TRP 531 13.223 6.405 -16.307 176 H ILE 532 H ILE 532 8.984 2.627 -8.718 177 HA ILE 532 HA ILE 532 10.491 0.209 -8.100 178 HB ILE 532 HB ILE 532 11.873 2.229 -7.823 179 HG12 ILE 532 2HG1 ILE 532 11.181 0.974 -5.156 180 HG13 ILE 532 1HG1 ILE 532 12.144 0.172 -6.386 181 HG21 ILE 532 1HG2 ILE 532 11.245 4.033 -6.601 182 HG22 ILE 532 2HG2 ILE 532 10.294 3.075 -5.464 183 HG23 ILE 532 3HG2 ILE 532 9.641 3.452 -7.064 184 HD11 ILE 532 3HD1 ILE 532 13.916 1.655 -6.128 185 HD12 ILE 532 1HD1 ILE 532 13.361 1.348 -4.480 186 HD13 ILE 532 2HD1 ILE 532 12.917 2.848 -5.299 187 HA PRO 533 HA PRO 533 6.517 1.256 -5.514 188 HB2 PRO 533 2HB PRO 533 4.544 0.084 -7.006 189 HB3 PRO 533 1HB PRO 533 4.914 1.808 -7.059 190 HG2 PRO 533 2HG PRO 533 5.739 -0.360 -8.934 191 HG3 PRO 533 1HG PRO 533 5.214 1.293 -9.293 192 HD2 PRO 533 2HD PRO 533 7.805 0.556 -9.325 193 HD3 PRO 533 1HD PRO 533 7.277 2.183 -8.849 194 H TYR 534 H TYR 534 7.824 -1.283 -7.366 195 HA TYR 534 HA TYR 534 6.573 -3.544 -6.340 196 HB2 TYR 534 2HB TYR 534 9.429 -3.188 -7.287 197 HB3 TYR 534 1HB TYR 534 8.597 -4.730 -7.110 198 HD1 TYR 534 1HD TYR 534 8.722 -1.582 -9.109 199 HD2 TYR 534 2HD TYR 534 7.068 -5.506 -8.756 200 HE1 TYR 534 1HE TYR 534 7.879 -1.438 -11.406 201 HE2 TYR 534 2HE TYR 534 6.225 -5.354 -11.059 202 HH TYR 534 HH TYR 534 7.183 -2.866 -13.211 203 H PHE 535 H PHE 535 9.669 -2.061 -5.361 204 HA PHE 535 HA PHE 535 9.205 -3.093 -2.649 205 HB2 PHE 535 2HB PHE 535 11.777 -3.350 -2.564 206 HB3 PHE 535 1HB PHE 535 10.830 -4.589 -3.379 207 HD1 PHE 535 1HD PHE 535 12.678 -1.433 -4.087 208 HD2 PHE 535 2HD PHE 535 11.430 -5.246 -5.505 209 HE1 PHE 535 1HE PHE 535 14.019 -1.110 -6.124 210 HE2 PHE 535 2HE PHE 535 12.770 -4.931 -7.545 211 HZ PHE 535 HZ PHE 535 14.067 -2.861 -7.856 212 H GLY 536 H GLY 536 9.188 -0.388 -4.250 213 HA2 GLY 536 2HA GLY 536 11.164 1.268 -3.107 214 HA3 GLY 536 1HA GLY 536 9.638 1.816 -3.790 215 HA PRO 537 HA PRO 537 8.594 2.756 0.465 216 HB2 PRO 537 2HB PRO 537 6.209 3.818 0.078 217 HB3 PRO 537 1HB PRO 537 7.617 4.600 -0.667 218 HG2 PRO 537 2HG PRO 537 5.710 2.624 -1.890 219 HG3 PRO 537 1HG PRO 537 6.169 4.224 -2.514 220 HD2 PRO 537 2HD PRO 537 7.340 1.924 -3.340 221 HD3 PRO 537 1HD PRO 537 8.232 3.459 -3.247 222 H ALA 538 H ALA 538 8.137 0.100 -0.830 223 HA ALA 538 HA ALA 538 5.885 -0.809 0.780 224 HB1 ALA 538 1HB ALA 538 5.223 -2.314 -0.913 225 HB2 ALA 538 2HB ALA 538 6.726 -2.084 -1.812 226 HB3 ALA 538 3HB ALA 538 5.525 -0.792 -1.752 227 H ALA 539 H ALA 539 9.134 -1.047 -0.256 228 HA ALA 539 HA ALA 539 9.678 -3.009 1.774 229 HB1 ALA 539 1HB ALA 539 9.092 -4.439 -0.081 230 HB2 ALA 539 2HB ALA 539 10.810 -4.586 0.298 231 HB3 ALA 539 3HB ALA 539 10.292 -3.639 -1.095 232 H GLU 540 H GLU 540 10.497 -0.172 0.735 233 HA GLU 540 HA GLU 540 13.345 -0.440 0.341 234 HB2 GLU 540 2HB GLU 540 13.398 2.007 0.591 235 HB3 GLU 540 1HB GLU 540 12.203 1.500 -0.591 236 HG2 GLU 540 2HG GLU 540 10.523 1.660 1.341 237 HG3 GLU 540 1HG GLU 540 11.777 2.585 2.164 238 H GLY 541 H GLY 541 13.019 -1.925 2.367 239 HA2 GLY 541 2HA GLY 541 14.194 -2.131 4.431 240 HA3 GLY 541 1HA GLY 541 13.971 -0.400 4.688 241 H ILE 542 H ILE 542 11.145 -1.192 3.492 242 HA ILE 542 HA ILE 542 9.750 -1.112 5.948 243 HB ILE 542 HB ILE 542 9.084 -1.082 3.086 244 HG12 ILE 542 2HG1 ILE 542 7.672 0.119 5.467 245 HG13 ILE 542 1HG1 ILE 542 9.093 0.840 4.715 246 HG21 ILE 542 1HG2 ILE 542 7.764 -2.987 3.459 247 HG22 ILE 542 2HG2 ILE 542 6.650 -1.622 3.598 248 HG23 ILE 542 3HG2 ILE 542 7.245 -2.424 5.051 249 HD11 ILE 542 3HD1 ILE 542 7.752 0.772 2.551 250 HD12 ILE 542 1HD1 ILE 542 7.298 1.964 3.768 251 HD13 ILE 542 2HD1 ILE 542 6.352 0.488 3.585 252 H TYR 543 H TYR 543 10.375 -3.676 3.577 253 HA TYR 543 HA TYR 543 8.800 -5.710 4.420 254 HB2 TYR 543 2HB TYR 543 10.564 -7.282 3.692 255 HB3 TYR 543 1HB TYR 543 10.300 -5.973 2.542 256 HD1 TYR 543 2HD TYR 543 11.887 -4.005 2.613 257 HD2 TYR 543 1HD TYR 543 12.693 -7.685 4.561 258 HE1 TYR 543 2HE TYR 543 14.283 -3.431 2.675 259 HE2 TYR 543 1HE TYR 543 15.092 -7.134 4.638 260 HH TYR 543 HH TYR 543 16.468 -4.673 2.824 261 H ALA 544 H ALA 544 11.530 -4.391 6.127 262 HA ALA 544 HA ALA 544 12.177 -6.411 7.902 263 HB1 ALA 544 1HB ALA 544 12.001 -3.470 8.521 264 HB2 ALA 544 2HB ALA 544 13.363 -4.266 7.734 265 HB3 ALA 544 3HB ALA 544 12.947 -4.669 9.400 266 H GLU 545 H GLU 545 9.259 -4.677 7.623 267 HA GLU 545 HA GLU 545 8.210 -4.624 10.176 268 HB2 GLU 545 2HB GLU 545 5.983 -4.940 8.927 269 HB3 GLU 545 1HB GLU 545 6.965 -3.551 8.482 270 HG2 GLU 545 2HG GLU 545 6.479 -4.288 6.405 271 HG3 GLU 545 1HG GLU 545 7.899 -5.287 6.693 272 H GLY 546 H GLY 546 8.186 -7.161 7.747 273 HA2 GLY 546 2HA GLY 546 7.733 -9.393 7.847 274 HA3 GLY 546 1HA GLY 546 8.547 -9.306 9.395 275 H LEU 547 H LEU 547 5.496 -7.643 8.807 276 HA LEU 547 HA LEU 547 4.042 -9.782 10.143 277 HB2 LEU 547 2HB LEU 547 3.307 -8.582 11.974 278 HB3 LEU 547 1HB LEU 547 4.995 -8.132 11.850 279 HG LEU 547 HG LEU 547 2.809 -6.413 10.697 280 HD11 LEU 547 1HD1 LEU 547 4.038 -5.832 13.345 281 HD12 LEU 547 2HD1 LEU 547 2.691 -6.967 13.253 282 HD13 LEU 547 3HD1 LEU 547 2.490 -5.311 12.679 283 HD21 LEU 547 3HD2 LEU 547 5.433 -6.298 10.263 284 HD22 LEU 547 1HD2 LEU 547 5.367 -5.376 11.763 285 HD23 LEU 547 2HD2 LEU 547 4.424 -4.855 10.368 286 H MET 548 H MET 548 3.843 -6.578 8.629 287 HA MET 548 HA MET 548 1.852 -7.298 6.824 288 HB2 MET 548 2HB MET 548 0.852 -6.663 9.476 289 HB3 MET 548 1HB MET 548 0.175 -5.594 8.254 290 HG2 MET 548 2HG MET 548 -0.930 -7.279 7.187 291 HG3 MET 548 1HG MET 548 0.215 -8.511 7.710 292 HE1 MET 548 3HE MET 548 -0.093 -10.054 9.343 293 HE2 MET 548 1HE MET 548 -1.691 -10.367 8.667 294 HE3 MET 548 2HE MET 548 -1.484 -10.235 10.413 295 H HIS 549 H HIS 549 3.529 -4.828 8.596 296 HA HIS 549 HA HIS 549 2.623 -2.524 7.358 297 HB2 HIS 549 2HB HIS 549 4.952 -3.308 8.906 298 HB3 HIS 549 1HB HIS 549 5.333 -2.061 7.722 299 HD1 HIS 549 1HD HIS 549 1.908 -1.993 9.074 300 HD2 HIS 549 2HD HIS 549 5.586 -0.270 9.950 301 HE1 HIS 549 1HE HIS 549 1.403 -0.098 10.633 302 HE2 HIS 549 2HE HIS 549 3.653 0.854 11.252 303 H ASN 550 H ASN 550 4.228 -5.116 5.856 304 HA ASN 550 HA ASN 550 5.637 -3.641 3.859 305 HB2 ASN 550 2HB ASN 550 5.759 -5.870 2.701 306 HB3 ASN 550 1HB ASN 550 6.396 -5.857 4.342 307 HD21 ASN 550 1HD2 ASN 550 6.008 -8.234 3.809 308 HD22 ASN 550 2HD2 ASN 550 4.486 -8.881 4.308 309 H GLN 551 H GLN 551 2.535 -3.493 4.365 310 HA GLN 551 HA GLN 551 1.067 -4.306 2.208 311 HB2 GLN 551 2HB GLN 551 -0.363 -2.296 2.699 312 HB3 GLN 551 1HB GLN 551 0.009 -3.301 4.096 313 HG2 GLN 551 2HG GLN 551 2.024 -1.296 3.815 314 HG3 GLN 551 1HG GLN 551 0.434 -0.538 3.778 315 HE21 GLN 551 1HE2 GLN 551 1.256 0.409 5.800 316 HE22 GLN 551 2HE2 GLN 551 1.024 -0.470 7.270 317 H ASP 552 H ASP 552 -0.050 -2.422 0.785 318 HA ASP 552 HA ASP 552 2.011 -0.817 -0.536 319 HB2 ASP 552 2HB ASP 552 0.626 -3.149 -1.672 320 HB3 ASP 552 1HB ASP 552 0.549 -1.708 -2.683 321 H GLY 553 H GLY 553 -1.443 -1.654 -0.369 322 HA2 GLY 553 2HA GLY 553 -2.966 0.163 0.271 323 HA3 GLY 553 1HA GLY 553 -2.034 1.210 -0.786 324 H LEU 554 H LEU 554 -3.223 -2.073 -1.418 325 HA LEU 554 HA LEU 554 -4.000 -1.671 -4.005 326 HB2 LEU 554 2HB LEU 554 -5.811 -3.498 -3.412 327 HB3 LEU 554 1HB LEU 554 -4.105 -3.880 -3.516 328 HG LEU 554 HG LEU 554 -4.741 -3.078 -0.827 329 HD11 LEU 554 1HD1 LEU 554 -6.167 -5.592 -1.388 330 HD12 LEU 554 2HD1 LEU 554 -6.977 -4.114 -1.904 331 HD13 LEU 554 3HD1 LEU 554 -6.514 -4.321 -0.214 332 HD21 LEU 554 3HD2 LEU 554 -4.069 -5.632 -0.597 333 HD22 LEU 554 1HD2 LEU 554 -2.879 -4.383 -0.967 334 HD23 LEU 554 2HD2 LEU 554 -3.540 -5.383 -2.261 335 H ILE 555 H ILE 555 -6.545 -2.055 -1.561 336 HA ILE 555 HA ILE 555 -8.527 -0.980 -1.243 337 HB ILE 555 HB ILE 555 -7.450 1.258 -2.943 338 HG12 ILE 555 2HG1 ILE 555 -5.839 0.703 -1.177 339 HG13 ILE 555 1HG1 ILE 555 -6.606 2.259 -0.882 340 HG21 ILE 555 1HG2 ILE 555 -9.183 1.772 -0.624 341 HG22 ILE 555 2HG2 ILE 555 -9.941 0.935 -1.979 342 HG23 ILE 555 3HG2 ILE 555 -9.182 2.507 -2.228 343 HD11 ILE 555 3HD1 ILE 555 -8.079 1.248 0.740 344 HD12 ILE 555 1HD1 ILE 555 -6.394 0.928 1.150 345 HD13 ILE 555 2HD1 ILE 555 -7.379 -0.336 0.412 346 H CYS 556 H CYS 556 -10.260 -1.777 -2.211 347 HA CYS 556 HA CYS 556 -10.372 -2.506 -4.921 348 HB2 CYS 556 2HB CYS 556 -12.427 -2.225 -2.747 349 HB3 CYS 556 1HB CYS 556 -12.909 -2.649 -4.384 350 H GLY 557 H GLY 557 -11.387 0.397 -3.234 351 HA2 GLY 557 2HA GLY 557 -11.642 2.518 -4.176 352 HA3 GLY 557 1HA GLY 557 -11.640 1.782 -5.774 353 H LEU 558 H LEU 558 -13.629 -0.181 -5.145 354 HA LEU 558 HA LEU 558 -15.959 0.605 -4.064 355 HB2 LEU 558 2HB LEU 558 -17.265 1.626 -5.789 356 HB3 LEU 558 1HB LEU 558 -15.808 2.567 -5.572 357 HG LEU 558 HG LEU 558 -15.919 0.498 -7.728 358 HD11 LEU 558 1HD1 LEU 558 -17.201 3.207 -7.742 359 HD12 LEU 558 2HD1 LEU 558 -17.860 1.662 -8.283 360 HD13 LEU 558 3HD1 LEU 558 -16.602 2.463 -9.225 361 HD21 LEU 558 3HD2 LEU 558 -13.771 1.471 -7.278 362 HD22 LEU 558 1HD2 LEU 558 -14.447 3.099 -7.349 363 HD23 LEU 558 2HD2 LEU 558 -14.372 2.110 -8.808 364 H ARG 559 H ARG 559 -14.491 -0.778 -6.935 365 HA ARG 559 HA ARG 559 -14.881 -2.658 -8.144 366 HB2 ARG 559 2HB ARG 559 -15.250 -3.397 -5.318 367 HB3 ARG 559 1HB ARG 559 -15.920 -4.533 -6.483 368 HG2 ARG 559 2HG ARG 559 -13.558 -4.977 -5.732 369 HG3 ARG 559 1HG ARG 559 -13.815 -4.912 -7.476 370 HD2 ARG 559 2HD ARG 559 -13.174 -2.313 -6.332 371 HD3 ARG 559 1HD ARG 559 -11.910 -3.510 -6.048 372 HE ARG 559 HE ARG 559 -12.669 -2.343 -8.572 373 HH11 ARG 559 1HH1 ARG 559 -11.090 -5.034 -7.004 374 HH12 ARG 559 2HH1 ARG 559 -10.127 -5.433 -8.386 375 HH21 ARG 559 1HH2 ARG 559 -11.402 -2.868 -10.388 376 HH22 ARG 559 2HH2 ARG 559 -10.302 -4.204 -10.307 377 H GLN 560 H GLN 560 -16.390 -2.692 -9.647 378 HA GLN 560 HA GLN 560 -19.183 -3.025 -8.798 379 HB2 GLN 560 2HB GLN 560 -19.845 -1.663 -10.790 380 HB3 GLN 560 1HB GLN 560 -18.994 -0.757 -9.548 381 HG2 GLN 560 2HG GLN 560 -17.373 -0.185 -10.948 382 HG3 GLN 560 1HG GLN 560 -17.166 -1.845 -11.502 383 HE21 GLN 560 1HE2 GLN 560 -17.763 1.141 -12.554 384 HE22 GLN 560 2HE2 GLN 560 -18.721 0.804 -13.951
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