NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
560632 | 2m13 | 18840 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 502 H1 GLY 502 -2.490 11.750 -7.413 2 H2 GLY 502 H2 GLY 502 -1.266 12.693 -6.983 3 H3 GLY 502 H3 GLY 502 -1.678 11.438 -6.053 4 HA2 GLY 502 HA2 GLY 502 0.410 10.955 -7.163 5 HA3 GLY 502 HA3 GLY 502 -0.866 9.841 -7.695 6 HA PRO 503 HA PRO 503 1.097 12.049 -11.381 7 HB2 PRO 503 HB2 PRO 503 2.487 9.978 -12.517 8 HB3 PRO 503 HB3 PRO 503 3.136 10.929 -11.149 9 HG2 PRO 503 HG2 PRO 503 1.705 8.253 -11.038 10 HG3 PRO 503 HG3 PRO 503 3.257 8.707 -10.266 11 HD2 PRO 503 HD2 PRO 503 0.873 8.773 -8.920 12 HD3 PRO 503 HD3 PRO 503 2.169 9.969 -8.602 13 H VAL 504 H VAL 504 0.625 11.696 -13.694 14 HA VAL 504 HA VAL 504 -2.011 10.619 -14.165 15 HB VAL 504 HB VAL 504 0.201 11.416 -16.123 16 HG11 VAL 504 HG11 VAL 504 -1.652 11.695 -17.783 17 HG12 VAL 504 HG12 VAL 504 -1.427 10.012 -17.315 18 HG13 VAL 504 HG13 VAL 504 -2.777 10.947 -16.630 19 HG21 VAL 504 HG21 VAL 504 -0.516 13.307 -14.700 20 HG22 VAL 504 HG22 VAL 504 -1.098 13.525 -16.351 21 HG23 VAL 504 HG23 VAL 504 -2.217 12.971 -15.087 22 H GLN 505 H GLN 505 -2.704 8.678 -14.925 23 HA GLN 505 HA GLN 505 -0.863 6.703 -16.071 24 HB2 GLN 505 HB2 GLN 505 -1.153 5.036 -14.274 25 HB3 GLN 505 HB3 GLN 505 -0.359 6.481 -13.670 26 HG2 GLN 505 HG2 GLN 505 -2.734 7.233 -12.866 27 HG3 GLN 505 HG3 GLN 505 -3.211 5.560 -13.161 28 HE21 GLN 505 HE21 GLN 505 -1.037 7.689 -11.258 29 HE22 GLN 505 HE22 GLN 505 -0.761 6.503 -9.981 30 H ILE 506 H ILE 506 -2.035 4.596 -16.505 31 HA ILE 506 HA ILE 506 -4.799 5.224 -17.416 32 HB ILE 506 HB ILE 506 -4.559 3.159 -18.765 33 HG12 ILE 506 HG12 ILE 506 -1.728 2.973 -17.628 34 HG13 ILE 506 HG13 ILE 506 -3.060 1.856 -17.312 35 HG21 ILE 506 HG21 ILE 506 -3.900 5.424 -19.594 36 HG22 ILE 506 HG22 ILE 506 -2.213 5.057 -19.172 37 HG23 ILE 506 HG23 ILE 506 -3.062 4.103 -20.406 38 HD11 ILE 506 HD11 ILE 506 -1.631 2.298 -19.948 39 HD12 ILE 506 HD12 ILE 506 -1.663 0.837 -18.946 40 HD13 ILE 506 HD13 ILE 506 -3.139 1.366 -19.782 41 H ASP 507 H ASP 507 -6.465 3.502 -17.265 42 HA ASP 507 HA ASP 507 -6.601 2.483 -14.513 43 HB2 ASP 507 HB2 ASP 507 -8.912 1.810 -15.204 44 HB3 ASP 507 HB3 ASP 507 -8.582 3.516 -15.417 45 HA PRO 508 HA PRO 508 -5.380 -1.658 -15.456 46 HB2 PRO 508 HB2 PRO 508 -6.497 -3.059 -13.388 47 HB3 PRO 508 HB3 PRO 508 -5.227 -1.827 -13.131 48 HG2 PRO 508 HG2 PRO 508 -8.237 -1.466 -12.888 49 HG3 PRO 508 HG3 PRO 508 -6.974 -1.024 -11.693 50 HD2 PRO 508 HD2 PRO 508 -7.997 0.787 -13.450 51 HD3 PRO 508 HD3 PRO 508 -6.267 0.819 -12.984 52 H TYR 509 H TYR 509 -8.653 -0.669 -15.729 53 HA TYR 509 HA TYR 509 -9.792 -3.293 -16.349 54 HB2 TYR 509 HB2 TYR 509 -10.992 -0.575 -16.960 55 HB3 TYR 509 HB3 TYR 509 -11.835 -2.102 -16.758 56 HD1 TYR 509 HD1 TYR 509 -11.325 -3.287 -14.343 57 HD2 TYR 509 HD2 TYR 509 -11.125 0.937 -15.182 58 HE1 TYR 509 HE1 TYR 509 -11.594 -2.798 -11.921 59 HE2 TYR 509 HE2 TYR 509 -11.384 1.434 -12.758 60 HH TYR 509 HH TYR 509 -11.728 -1.166 -10.302 61 H LEU 510 H LEU 510 -7.818 -1.124 -18.038 62 HA LEU 510 HA LEU 510 -8.602 -2.356 -20.654 63 HB2 LEU 510 HB2 LEU 510 -7.828 0.539 -20.107 64 HB3 LEU 510 HB3 LEU 510 -7.879 -0.179 -21.715 65 HG LEU 510 HG LEU 510 -10.308 0.038 -19.890 66 HD11 LEU 510 HD11 LEU 510 -9.437 1.761 -22.254 67 HD12 LEU 510 HD12 LEU 510 -9.468 2.262 -20.552 68 HD13 LEU 510 HD13 LEU 510 -10.985 1.890 -21.385 69 HD21 LEU 510 HD21 LEU 510 -10.029 -0.702 -22.842 70 HD22 LEU 510 HD22 LEU 510 -11.566 -0.405 -22.003 71 HD23 LEU 510 HD23 LEU 510 -10.561 -1.778 -21.532 72 H GLU 511 H GLU 511 -6.036 -0.676 -18.760 73 HA GLU 511 HA GLU 511 -3.737 -0.900 -18.744 74 HB2 GLU 511 HB2 GLU 511 -4.135 -3.649 -20.050 75 HB3 GLU 511 HB3 GLU 511 -2.774 -3.086 -19.090 76 HG2 GLU 511 HG2 GLU 511 -4.281 -2.868 -17.108 77 HG3 GLU 511 HG3 GLU 511 -5.577 -3.608 -18.061 78 H ASP 512 H ASP 512 -1.970 -2.234 -20.594 79 HA ASP 512 HA ASP 512 -2.188 -0.396 -22.918 80 HB2 ASP 512 HB2 ASP 512 0.081 -2.138 -21.854 81 HB3 ASP 512 HB3 ASP 512 0.174 -1.222 -23.363 82 H SER 513 H SER 513 -4.124 -1.857 -23.534 83 HA SER 513 HA SER 513 -3.657 -4.509 -24.524 84 HB2 SER 513 HB2 SER 513 -5.900 -3.436 -23.953 85 HB3 SER 513 HB3 SER 513 -5.793 -2.558 -25.482 86 HG SER 513 HG SER 513 -6.101 -5.331 -25.004 87 H LEU 514 H LEU 514 -2.604 -5.191 -26.294 88 HA LEU 514 HA LEU 514 -1.367 -3.328 -28.106 89 HB2 LEU 514 HB2 LEU 514 -0.764 -5.792 -27.276 90 HB3 LEU 514 HB3 LEU 514 -1.606 -6.284 -28.729 91 HG LEU 514 HG LEU 514 0.772 -4.357 -28.647 92 HD11 LEU 514 HD11 LEU 514 0.721 -7.354 -29.217 93 HD12 LEU 514 HD12 LEU 514 1.386 -6.579 -27.760 94 HD13 LEU 514 HD13 LEU 514 2.142 -6.291 -29.332 95 HD21 LEU 514 HD21 LEU 514 -0.323 -4.067 -30.776 96 HD22 LEU 514 HD22 LEU 514 -0.607 -5.819 -30.936 97 HD23 LEU 514 HD23 LEU 514 1.030 -5.141 -31.061 98 H CYS 515 H CYS 515 -1.861 -2.730 -30.190 99 HA CYS 515 HA CYS 515 -4.565 -2.928 -31.144 100 HB2 CYS 515 HB2 CYS 515 -2.864 -1.126 -31.705 101 HB3 CYS 515 HB3 CYS 515 -2.042 -2.308 -32.719 102 H HIS 516 H HIS 516 -5.522 -4.742 -31.883 103 HA HIS 516 HA HIS 516 -3.969 -7.056 -32.689 104 HB2 HIS 516 HB2 HIS 516 -6.104 -8.159 -32.913 105 HB3 HIS 516 HB3 HIS 516 -6.119 -7.191 -31.449 106 HD2 HIS 516 HD2 HIS 516 -8.350 -8.072 -34.132 107 HE1 HIS 516 HE1 HIS 516 -9.598 -4.123 -33.159 108 HE2 HIS 516 HE2 HIS 516 -10.241 -6.264 -34.383 109 H ILE 517 H ILE 517 -5.209 -4.327 -34.430 110 HA ILE 517 HA ILE 517 -5.705 -5.581 -36.985 111 HB ILE 517 HB ILE 517 -4.948 -2.703 -36.296 112 HG12 ILE 517 HG12 ILE 517 -6.994 -3.216 -35.160 113 HG13 ILE 517 HG13 ILE 517 -7.363 -2.212 -36.549 114 HG21 ILE 517 HG21 ILE 517 -4.503 -2.999 -38.631 115 HG22 ILE 517 HG22 ILE 517 -6.032 -3.873 -38.885 116 HG23 ILE 517 HG23 ILE 517 -6.036 -2.140 -38.495 117 HD11 ILE 517 HD11 ILE 517 -9.053 -3.919 -36.357 118 HD12 ILE 517 HD12 ILE 517 -8.086 -4.284 -37.798 119 HD13 ILE 517 HD13 ILE 517 -7.844 -5.210 -36.300 120 H CYS 518 H CYS 518 -2.900 -3.631 -35.799 121 HA CYS 518 HA CYS 518 -1.281 -4.609 -38.080 122 HB2 CYS 518 HB2 CYS 518 0.315 -2.889 -37.361 123 HB3 CYS 518 HB3 CYS 518 -1.321 -2.241 -37.591 124 H SER 519 H SER 519 -1.601 -5.029 -34.583 125 HA SER 519 HA SER 519 -0.574 -6.481 -33.099 126 HB2 SER 519 HB2 SER 519 0.754 -7.801 -35.528 127 HB3 SER 519 HB3 SER 519 0.561 -8.469 -33.917 128 HG SER 519 HG SER 519 -1.047 -9.235 -35.384 129 H SER 520 H SER 520 0.825 -3.965 -34.280 130 HA SER 520 HA SER 520 3.678 -4.608 -33.851 131 HB2 SER 520 HB2 SER 520 2.310 -1.961 -34.527 132 HB3 SER 520 HB3 SER 520 4.053 -2.269 -34.532 133 HG SER 520 HG SER 520 3.215 -2.443 -36.642 134 H GLN 521 H GLN 521 1.140 -2.513 -32.353 135 HA GLN 521 HA GLN 521 2.315 -2.645 -29.710 136 HB2 GLN 521 HB2 GLN 521 3.055 -0.272 -29.542 137 HB3 GLN 521 HB3 GLN 521 4.011 -1.141 -30.711 138 HG2 GLN 521 HG2 GLN 521 2.673 -0.133 -32.563 139 HG3 GLN 521 HG3 GLN 521 1.698 0.736 -31.380 140 HE21 GLN 521 HE21 GLN 521 2.698 2.432 -33.091 141 HE22 GLN 521 HE22 GLN 521 4.145 3.223 -32.487 142 HA PRO 522 HA PRO 522 -1.722 -1.068 -28.547 143 HB2 PRO 522 HB2 PRO 522 -0.317 0.834 -26.679 144 HB3 PRO 522 HB3 PRO 522 -1.599 -0.347 -26.306 145 HG2 PRO 522 HG2 PRO 522 0.963 -0.839 -25.590 146 HG3 PRO 522 HG3 PRO 522 -0.027 -2.157 -26.304 147 HD2 PRO 522 HD2 PRO 522 1.990 -0.361 -27.671 148 HD3 PRO 522 HD3 PRO 522 1.836 -2.149 -27.747 149 H GLY 523 H GLY 523 -3.145 0.627 -29.060 150 HA2 GLY 523 HA2 GLY 523 -1.996 2.736 -30.772 151 HA3 GLY 523 HA3 GLY 523 -3.713 2.352 -30.563 152 HA PRO 524 HA PRO 524 -2.433 5.990 -27.764 153 HB2 PRO 524 HB2 PRO 524 -2.368 8.200 -29.357 154 HB3 PRO 524 HB3 PRO 524 -0.967 7.097 -29.213 155 HG2 PRO 524 HG2 PRO 524 -3.068 7.166 -31.397 156 HG3 PRO 524 HG3 PRO 524 -1.290 7.083 -31.577 157 HD2 PRO 524 HD2 PRO 524 -2.953 4.873 -31.647 158 HD3 PRO 524 HD3 PRO 524 -1.253 4.800 -31.079 159 H PHE 525 H PHE 525 -4.796 5.591 -30.370 160 HA PHE 525 HA PHE 525 -6.713 7.455 -29.064 161 HB2 PHE 525 HB2 PHE 525 -6.975 5.900 -31.666 162 HB3 PHE 525 HB3 PHE 525 -8.047 7.164 -31.079 163 HD1 PHE 525 HD2 PHE 525 -6.686 9.470 -30.444 164 HD2 PHE 525 HD1 PHE 525 -5.472 6.524 -33.353 165 HE1 PHE 525 HE2 PHE 525 -5.288 11.173 -31.588 166 HE2 PHE 525 HE1 PHE 525 -4.061 8.226 -34.478 167 HZ PHE 525 HZ PHE 525 -3.970 10.552 -33.606 168 H PHE 526 H PHE 526 -8.583 6.805 -28.099 169 HA PHE 526 HA PHE 526 -8.976 3.846 -27.804 170 HB2 PHE 526 HB2 PHE 526 -8.381 4.999 -25.705 171 HB3 PHE 526 HB3 PHE 526 -9.685 6.150 -25.938 172 HD1 PHE 526 HD1 PHE 526 -9.119 2.429 -25.693 173 HD2 PHE 526 HD2 PHE 526 -11.765 5.734 -24.885 174 HE1 PHE 526 HE1 PHE 526 -10.741 0.871 -24.645 175 HE2 PHE 526 HE2 PHE 526 -13.351 4.181 -23.772 176 HZ PHE 526 HZ PHE 526 -12.857 1.745 -23.678 177 H CYS 527 H CYS 527 -10.971 2.944 -28.156 178 HA CYS 527 HA CYS 527 -13.173 4.797 -29.023 179 HB2 CYS 527 HB2 CYS 527 -12.129 3.241 -30.796 180 HB3 CYS 527 HB3 CYS 527 -12.839 1.901 -29.888 181 H ARG 528 H ARG 528 -14.749 4.900 -27.507 182 HA ARG 528 HA ARG 528 -14.927 2.830 -25.436 183 HB2 ARG 528 HB2 ARG 528 -16.464 4.346 -24.353 184 HB3 ARG 528 HB3 ARG 528 -15.112 5.278 -24.997 185 HG2 ARG 528 HG2 ARG 528 -16.600 5.758 -27.058 186 HG3 ARG 528 HG3 ARG 528 -17.952 5.096 -26.126 187 HD2 ARG 528 HD2 ARG 528 -16.135 7.337 -25.237 188 HD3 ARG 528 HD3 ARG 528 -17.687 7.596 -26.054 189 HE ARG 528 HE ARG 528 -18.289 5.965 -23.877 190 HH11 ARG 528 HH11 ARG 528 -16.959 9.227 -24.218 191 HH12 ARG 528 HH12 ARG 528 -17.560 9.730 -22.667 192 HH21 ARG 528 HH21 ARG 528 -19.029 6.679 -21.886 193 HH22 ARG 528 HH22 ARG 528 -18.722 8.309 -21.373 194 H ASP 529 H ASP 529 -16.397 3.208 -28.511 195 HA ASP 529 HA ASP 529 -19.095 2.509 -28.041 196 HB2 ASP 529 HB2 ASP 529 -17.954 3.272 -30.241 197 HB3 ASP 529 HB3 ASP 529 -17.508 1.563 -30.454 198 H GLN 530 H GLN 530 -20.251 0.555 -28.047 199 HA GLN 530 HA GLN 530 -19.036 -1.660 -26.726 200 HB2 GLN 530 HB2 GLN 530 -21.441 -1.105 -26.606 201 HB3 GLN 530 HB3 GLN 530 -21.636 -1.485 -28.315 202 HG2 GLN 530 HG2 GLN 530 -22.513 -3.267 -26.896 203 HG3 GLN 530 HG3 GLN 530 -21.192 -3.861 -27.882 204 HE21 GLN 530 HE21 GLN 530 -19.068 -4.237 -26.794 205 HE22 GLN 530 HE22 GLN 530 -19.059 -4.546 -25.054 206 H VAL 531 H VAL 531 -19.351 -0.855 -30.162 207 HA VAL 531 HA VAL 531 -18.967 -3.540 -31.216 208 HB VAL 531 HB VAL 531 -18.484 -0.761 -32.341 209 HG11 VAL 531 HG11 VAL 531 -18.122 -3.417 -33.754 210 HG12 VAL 531 HG12 VAL 531 -18.396 -1.881 -34.596 211 HG13 VAL 531 HG13 VAL 531 -16.961 -2.068 -33.581 212 HG21 VAL 531 HG21 VAL 531 -20.885 -1.406 -32.048 213 HG22 VAL 531 HG22 VAL 531 -20.418 -1.175 -33.746 214 HG23 VAL 531 HG23 VAL 531 -20.602 -2.818 -33.089 215 H CYS 532 H CYS 532 -16.750 -0.906 -30.250 216 HA CYS 532 HA CYS 532 -14.409 -2.544 -31.106 217 HB2 CYS 532 HB2 CYS 532 -14.725 0.405 -30.435 218 HB3 CYS 532 HB3 CYS 532 -13.177 -0.360 -30.820 219 H PHE 533 H PHE 533 -14.694 -0.047 -28.525 220 HA PHE 533 HA PHE 533 -13.963 -0.017 -26.340 221 HB2 PHE 533 HB2 PHE 533 -15.760 -1.887 -26.275 222 HB3 PHE 533 HB3 PHE 533 -14.427 -3.026 -26.183 223 HD1 PHE 533 HD2 PHE 533 -15.465 0.278 -24.626 224 HD2 PHE 533 HD1 PHE 533 -13.824 -3.666 -23.979 225 HE1 PHE 533 HE2 PHE 533 -15.346 0.721 -22.191 226 HE2 PHE 533 HE1 PHE 533 -13.706 -3.209 -21.542 227 HZ PHE 533 HZ PHE 533 -14.464 -1.017 -20.644 228 H LYS 534 H LYS 534 -11.936 -0.026 -28.181 229 HA LYS 534 HA LYS 534 -9.711 -1.274 -26.732 230 HB2 LYS 534 HB2 LYS 534 -10.699 -3.072 -28.284 231 HB3 LYS 534 HB3 LYS 534 -10.179 -2.083 -29.640 232 HG2 LYS 534 HG2 LYS 534 -7.832 -2.401 -29.010 233 HG3 LYS 534 HG3 LYS 534 -8.306 -3.199 -27.493 234 HD2 LYS 534 HD2 LYS 534 -9.240 -5.088 -28.734 235 HD3 LYS 534 HD3 LYS 534 -9.081 -4.207 -30.258 236 HE2 LYS 534 HE2 LYS 534 -7.286 -5.721 -30.266 237 HE3 LYS 534 HE3 LYS 534 -6.586 -4.139 -29.911 238 HZ1 LYS 534 HZ1 LYS 534 -7.074 -6.331 -27.974 239 HZ2 LYS 534 HZ2 LYS 534 -6.594 -4.833 -27.516 240 HZ3 LYS 534 HZ3 LYS 534 -5.625 -5.726 -28.468 241 H TYR 535 H TYR 535 -7.571 -0.746 -27.882 242 HA TYR 535 HA TYR 535 -7.693 2.048 -28.838 243 HB2 TYR 535 HB2 TYR 535 -5.253 0.339 -28.277 244 HB3 TYR 535 HB3 TYR 535 -5.321 2.081 -28.469 245 HD1 TYR 535 HD1 TYR 535 -6.792 3.404 -26.713 246 HD2 TYR 535 HD2 TYR 535 -5.261 -0.572 -26.154 247 HE1 TYR 535 HE1 TYR 535 -7.091 3.633 -24.248 248 HE2 TYR 535 HE2 TYR 535 -5.489 -0.333 -23.703 249 HH TYR 535 HH TYR 535 -5.972 1.088 -21.969 250 H PHE 536 H PHE 536 -6.531 2.783 -30.720 251 HA PHE 536 HA PHE 536 -5.612 0.730 -32.649 252 HB2 PHE 536 HB2 PHE 536 -7.708 2.808 -33.379 253 HB3 PHE 536 HB3 PHE 536 -6.934 1.711 -34.490 254 HD1 PHE 536 HD2 PHE 536 -9.450 2.019 -31.797 255 HD2 PHE 536 HD1 PHE 536 -7.630 -0.613 -34.686 256 HE1 PHE 536 HE2 PHE 536 -11.268 0.388 -31.454 257 HE2 PHE 536 HE1 PHE 536 -9.480 -2.234 -34.372 258 HZ PHE 536 HZ PHE 536 -11.296 -1.755 -32.733 259 H CYS 537 H CYS 537 -4.091 1.500 -34.123 260 HA CYS 537 HA CYS 537 -2.775 4.046 -33.538 261 HB2 CYS 537 HB2 CYS 537 -2.321 2.371 -36.026 262 HB3 CYS 537 HB3 CYS 537 -1.182 3.392 -35.154 263 H ARG 538 H ARG 538 -2.309 5.597 -35.459 264 HA ARG 538 HA ARG 538 -4.712 6.849 -36.249 265 HB2 ARG 538 HB2 ARG 538 -2.420 7.881 -36.204 266 HB3 ARG 538 HB3 ARG 538 -2.015 7.018 -37.689 267 HG2 ARG 538 HG2 ARG 538 -3.831 8.229 -38.891 268 HG3 ARG 538 HG3 ARG 538 -4.324 8.997 -37.374 269 HD2 ARG 538 HD2 ARG 538 -3.039 10.588 -38.631 270 HD3 ARG 538 HD3 ARG 538 -2.086 10.089 -37.225 271 HE ARG 538 HE ARG 538 -1.507 8.498 -39.591 272 HH11 ARG 538 HH21 ARG 538 -0.720 11.620 -38.120 273 HH12 ARG 538 HH22 ARG 538 0.801 11.729 -38.955 274 HH21 ARG 538 HH11 ARG 538 0.472 8.698 -40.624 275 HH22 ARG 538 HH12 ARG 538 1.459 10.102 -40.355 276 H SER 539 H SER 539 -2.591 4.698 -38.234 277 HA SER 539 HA SER 539 -4.288 4.797 -40.577 278 HB2 SER 539 HB2 SER 539 -2.892 2.751 -41.237 279 HB3 SER 539 HB3 SER 539 -2.000 4.246 -40.907 280 HG SER 539 HG SER 539 -1.042 2.405 -39.879 281 H CYS 540 H CYS 540 -3.913 2.444 -37.884 282 HA CYS 540 HA CYS 540 -5.727 0.484 -38.906 283 HB2 CYS 540 HB2 CYS 540 -5.064 1.107 -36.010 284 HB3 CYS 540 HB3 CYS 540 -5.692 -0.417 -36.623 285 H TRP 541 H TRP 541 -6.213 3.373 -36.875 286 HA TRP 541 HA TRP 541 -8.932 2.864 -36.145 287 HB2 TRP 541 HB2 TRP 541 -7.508 4.536 -35.012 288 HB3 TRP 541 HB3 TRP 541 -7.389 5.482 -36.485 289 HD1 TRP 541 HD1 TRP 541 -9.655 6.687 -37.329 290 HE1 TRP 541 HE1 TRP 541 -11.813 7.409 -36.119 291 HE3 TRP 541 HE3 TRP 541 -8.764 4.563 -32.772 292 HZ2 TRP 541 HZ2 TRP 541 -13.148 6.751 -33.610 293 HZ3 TRP 541 HZ3 TRP 541 -10.444 4.681 -30.976 294 HH2 TRP 541 HH2 TRP 541 -12.672 5.709 -31.401 295 H HIS 542 H HIS 542 -7.467 4.770 -38.829 296 HA HIS 542 HA HIS 542 -9.898 5.596 -40.044 297 HB2 HIS 542 HB2 HIS 542 -7.163 4.997 -41.260 298 HB3 HIS 542 HB3 HIS 542 -8.487 5.774 -42.124 299 HD2 HIS 542 HD2 HIS 542 -5.727 7.259 -41.730 300 HE1 HIS 542 HE1 HIS 542 -7.827 9.768 -39.007 301 HE2 HIS 542 HE2 HIS 542 -5.748 9.566 -40.468 302 H TRP 543 H TRP 543 -7.924 2.614 -40.502 303 HA TRP 543 HA TRP 543 -9.507 1.503 -42.620 304 HB2 TRP 543 HB2 TRP 543 -7.231 0.742 -42.044 305 HB3 TRP 543 HB3 TRP 543 -7.792 0.144 -40.492 306 HD1 TRP 543 HD1 TRP 543 -7.800 -0.675 -44.198 307 HE1 TRP 543 HE1 TRP 543 -8.560 -3.094 -44.579 308 HE3 TRP 543 HE3 TRP 543 -9.254 -1.834 -39.416 309 HZ2 TRP 543 HZ2 TRP 543 -9.722 -5.235 -43.029 310 HZ3 TRP 543 HZ3 TRP 543 -10.241 -4.053 -38.918 311 HH2 TRP 543 HH2 TRP 543 -10.472 -5.761 -40.705 312 H ARG 544 H ARG 544 -9.663 1.126 -39.035 313 HA ARG 544 HA ARG 544 -11.656 -0.917 -39.018 314 HB2 ARG 544 HB2 ARG 544 -10.234 -0.449 -37.088 315 HB3 ARG 544 HB3 ARG 544 -10.880 1.177 -36.941 316 HG2 ARG 544 HG2 ARG 544 -11.801 -0.219 -35.215 317 HG3 ARG 544 HG3 ARG 544 -13.097 0.266 -36.296 318 HD2 ARG 544 HD2 ARG 544 -13.034 -1.943 -37.401 319 HD3 ARG 544 HD3 ARG 544 -11.653 -2.417 -36.387 320 HE ARG 544 HE ARG 544 -13.809 -1.577 -34.721 321 HH11 ARG 544 HH11 ARG 544 -13.010 -4.314 -36.819 322 HH12 ARG 544 HH12 ARG 544 -13.972 -5.425 -35.892 323 HH21 ARG 544 HH21 ARG 544 -15.041 -3.080 -33.568 324 HH22 ARG 544 HH22 ARG 544 -15.095 -4.734 -34.080 325 H HIS 545 H HIS 545 -11.955 2.654 -38.721 326 HA HIS 545 HA HIS 545 -14.881 2.387 -38.386 327 HB2 HIS 545 HB2 HIS 545 -13.058 4.843 -38.318 328 HB3 HIS 545 HB3 HIS 545 -14.763 4.798 -37.842 329 HD1 HIS 545 HD1 HIS 545 -11.346 3.990 -36.454 330 HD2 HIS 545 HD2 HIS 545 -15.372 3.131 -35.688 331 HE1 HIS 545 HE1 HIS 545 -11.426 2.987 -34.103 332 H SER 546 H SER 546 -13.019 2.407 -41.120 333 HA SER 546 HA SER 546 -14.352 4.380 -42.786 334 HB2 SER 546 HB2 SER 546 -12.708 1.887 -43.320 335 HB3 SER 546 HB3 SER 546 -13.543 2.719 -44.635 336 HG SER 546 HG SER 546 -11.583 3.840 -42.905 337 H MET 547 H MET 547 -15.005 0.990 -41.900 338 HA MET 547 HA MET 547 -17.021 0.461 -43.861 339 HB2 MET 547 HB2 MET 547 -15.819 -1.249 -42.468 340 HB3 MET 547 HB3 MET 547 -16.738 -0.717 -41.055 341 HG2 MET 547 HG2 MET 547 -18.842 -1.385 -42.168 342 HG3 MET 547 HG3 MET 547 -17.942 -1.843 -43.621 343 HE1 MET 547 HE1 MET 547 -19.197 -4.152 -43.604 344 HE2 MET 547 HE2 MET 547 -19.255 -5.239 -42.201 345 HE3 MET 547 HE3 MET 547 -20.067 -3.660 -42.133 346 H GLU 548 H GLU 548 -19.206 0.806 -43.918 347 HA GLU 548 HA GLU 548 -20.370 2.904 -42.376 348 HB2 GLU 548 HB2 GLU 548 -21.122 2.176 -44.644 349 HB3 GLU 548 HB3 GLU 548 -21.754 0.686 -43.950 350 HG2 GLU 548 HG2 GLU 548 -23.515 2.362 -44.384 351 HG3 GLU 548 HG3 GLU 548 -23.436 1.926 -42.686 352 H GLY 549 H GLY 549 -21.920 2.896 -40.709 353 HA2 GLY 549 HA2 GLY 549 -23.267 1.786 -39.047 354 HA3 GLY 549 HA3 GLY 549 -22.319 0.303 -39.270 355 H LEU 550 H LEU 550 -19.743 1.934 -39.228 356 HA LEU 550 HA LEU 550 -19.629 2.441 -36.265 357 HB2 LEU 550 HB2 LEU 550 -17.483 1.492 -38.215 358 HB3 LEU 550 HB3 LEU 550 -17.176 2.077 -36.580 359 HG LEU 550 HG LEU 550 -18.559 0.275 -35.641 360 HD11 LEU 550 HD11 LEU 550 -18.841 -1.807 -36.975 361 HD12 LEU 550 HD12 LEU 550 -18.423 -0.898 -38.450 362 HD13 LEU 550 HD13 LEU 550 -19.892 -0.512 -37.515 363 HD21 LEU 550 HD21 LEU 550 -16.690 -1.429 -36.028 364 HD22 LEU 550 HD22 LEU 550 -16.198 0.183 -35.495 365 HD23 LEU 550 HD23 LEU 550 -16.020 -0.293 -37.207 366 H ARG 551 H ARG 551 -19.982 4.137 -39.043 367 HA ARG 551 HA ARG 551 -17.759 5.959 -39.031 368 HB2 ARG 551 HB2 ARG 551 -20.557 6.154 -40.246 369 HB3 ARG 551 HB3 ARG 551 -19.269 7.343 -40.533 370 HG2 ARG 551 HG2 ARG 551 -17.778 5.573 -41.392 371 HG3 ARG 551 HG3 ARG 551 -19.038 4.361 -41.130 372 HD2 ARG 551 HD2 ARG 551 -20.481 5.487 -42.776 373 HD3 ARG 551 HD3 ARG 551 -19.233 6.714 -43.043 374 HE ARG 551 HE ARG 551 -17.840 4.414 -43.477 375 HH11 ARG 551 HH21 ARG 551 -21.027 5.191 -44.866 376 HH12 ARG 551 HH22 ARG 551 -20.521 4.665 -46.443 377 HH21 ARG 551 HH11 ARG 551 -17.406 3.539 -45.373 378 HH22 ARG 551 HH12 ARG 551 -18.527 3.624 -46.717 379 H HIS 552 H HIS 552 -20.298 5.672 -36.798 380 HA HIS 552 HA HIS 552 -20.478 8.556 -36.161 381 HB2 HIS 552 HB2 HIS 552 -22.119 7.857 -34.487 382 HB3 HIS 552 HB3 HIS 552 -22.502 7.145 -36.048 383 HD2 HIS 552 HD2 HIS 552 -21.756 6.216 -32.465 384 HE1 HIS 552 HE1 HIS 552 -21.484 2.543 -34.581 385 HE2 HIS 552 HE2 HIS 552 -21.558 3.611 -32.258 386 H HIS 553 H HIS 553 -18.266 6.104 -35.504 387 HA HIS 553 HA HIS 553 -17.788 6.556 -32.666 388 HB2 HIS 553 HB2 HIS 553 -16.038 5.319 -34.831 389 HB3 HIS 553 HB3 HIS 553 -15.671 5.281 -33.119 390 HD2 HIS 553 HD2 HIS 553 -19.307 4.515 -33.951 391 HE1 HIS 553 HE1 HIS 553 -17.435 0.748 -33.363 392 HE2 HIS 553 HE2 HIS 553 -19.672 1.929 -33.661 393 H SER 554 H SER 554 -15.702 7.414 -31.789 394 HA SER 554 HA SER 554 -14.302 9.419 -33.467 395 HB2 SER 554 HB2 SER 554 -16.279 10.602 -32.498 396 HB3 SER 554 HB3 SER 554 -15.715 10.176 -30.874 397 HG SER 554 HG SER 554 -15.066 12.307 -31.544 398 HA PRO 555 HA PRO 555 -11.020 7.765 -31.003 399 HB2 PRO 555 HB2 PRO 555 -8.966 9.446 -31.730 400 HB3 PRO 555 HB3 PRO 555 -9.684 8.243 -32.834 401 HG2 PRO 555 HG2 PRO 555 -10.280 11.207 -32.663 402 HG3 PRO 555 HG3 PRO 555 -9.975 10.213 -34.123 403 HD2 PRO 555 HD2 PRO 555 -12.492 10.848 -33.264 404 HD3 PRO 555 HD3 PRO 555 -12.123 9.286 -34.057 405 H LEU 556 H LEU 556 -10.951 7.935 -28.845 406 HA LEU 556 HA LEU 556 -10.892 10.630 -27.594 407 HB2 LEU 556 HB2 LEU 556 -11.493 7.840 -26.551 408 HB3 LEU 556 HB3 LEU 556 -11.457 9.248 -25.503 409 HG LEU 556 HG LEU 556 -13.119 9.467 -28.009 410 HD11 LEU 556 HD11 LEU 556 -13.957 7.811 -25.614 411 HD12 LEU 556 HD12 LEU 556 -13.650 7.240 -27.276 412 HD13 LEU 556 HD13 LEU 556 -15.013 8.336 -26.963 413 HD21 LEU 556 HD21 LEU 556 -13.606 10.320 -25.117 414 HD22 LEU 556 HD22 LEU 556 -14.441 10.915 -26.574 415 HD23 LEU 556 HD23 LEU 556 -12.718 11.301 -26.292 416 H MET 557 H MET 557 -9.672 10.757 -25.483 417 HA MET 557 HA MET 557 -6.874 9.902 -25.863 418 HB2 MET 557 HB2 MET 557 -6.514 11.134 -23.723 419 HB3 MET 557 HB3 MET 557 -7.253 12.132 -24.966 420 HG2 MET 557 HG2 MET 557 -8.920 10.747 -22.832 421 HG3 MET 557 HG3 MET 557 -8.142 12.286 -22.541 422 HE1 MET 557 HE1 MET 557 -12.046 12.936 -22.879 423 HE2 MET 557 HE2 MET 557 -11.297 11.410 -22.367 424 HE3 MET 557 HE3 MET 557 -10.661 12.957 -21.767 425 H ARG 558 H ARG 558 -5.690 8.694 -24.208 426 HA ARG 558 HA ARG 558 -7.186 6.391 -23.187 427 HB2 ARG 558 HB2 ARG 558 -4.267 7.215 -22.773 428 HB3 ARG 558 HB3 ARG 558 -4.993 5.664 -22.330 429 HG2 ARG 558 HG2 ARG 558 -5.593 5.356 -24.804 430 HG3 ARG 558 HG3 ARG 558 -4.641 6.804 -25.132 431 HD2 ARG 558 HD2 ARG 558 -3.267 4.887 -25.578 432 HD3 ARG 558 HD3 ARG 558 -2.643 5.717 -24.143 433 HE ARG 558 HE ARG 558 -4.526 3.500 -23.644 434 HH11 ARG 558 HH11 ARG 558 -1.047 4.263 -23.949 435 HH12 ARG 558 HH12 ARG 558 -0.633 2.826 -23.025 436 HH21 ARG 558 HH21 ARG 558 -3.771 1.688 -22.453 437 HH22 ARG 558 HH22 ARG 558 -2.041 1.535 -22.235 438 H ASN 559 H ASN 559 -8.267 6.363 -21.316 439 HA ASN 559 HA ASN 559 -8.997 6.907 -19.195 440 HB2 ASN 559 HB2 ASN 559 -6.488 6.267 -18.750 441 HB3 ASN 559 HB3 ASN 559 -6.226 7.990 -18.496 442 HD21 ASN 559 HD21 ASN 559 -8.189 5.143 -17.368 443 HD22 ASN 559 HD22 ASN 559 -8.417 5.806 -15.759 444 H GLN 560 H GLN 560 -8.249 9.104 -17.458 445 HA GLN 560 HA GLN 560 -9.583 11.311 -18.900 446 HB2 GLN 560 HB2 GLN 560 -8.805 10.805 -15.996 447 HB3 GLN 560 HB3 GLN 560 -9.331 12.389 -16.560 448 HG2 GLN 560 HG2 GLN 560 -11.469 11.436 -17.356 449 HG3 GLN 560 HG3 GLN 560 -10.973 9.836 -16.785 450 HE21 GLN 560 HE21 GLN 560 -11.037 13.232 -15.360 451 HE22 GLN 560 HE22 GLN 560 -11.815 12.688 -13.882 452 H LYS 561 H LYS 561 -8.569 13.025 -19.764 453 HA LYS 561 HA LYS 561 -5.659 13.380 -19.422 454 HB2 LYS 561 HB2 LYS 561 -5.964 15.246 -21.028 455 HB3 LYS 561 HB3 LYS 561 -6.603 13.722 -21.622 456 HG2 LYS 561 HG2 LYS 561 -8.922 14.475 -21.041 457 HG3 LYS 561 HG3 LYS 561 -8.262 16.026 -20.489 458 HD2 LYS 561 HD2 LYS 561 -7.395 16.484 -22.748 459 HD3 LYS 561 HD3 LYS 561 -7.957 14.895 -23.309 460 HE2 LYS 561 HE2 LYS 561 -10.301 15.532 -22.762 461 HE3 LYS 561 HE3 LYS 561 -9.743 17.123 -22.222 462 HZ1 LYS 561 HZ1 LYS 561 -8.952 17.536 -24.489 463 HZ2 LYS 561 HZ2 LYS 561 -10.549 17.196 -24.505 464 HZ3 LYS 561 HZ3 LYS 561 -9.472 16.065 -24.984 465 H ASN 562 H ASN 562 -8.501 14.398 -17.793 466 HA ASN 562 HA ASN 562 -6.944 16.237 -16.106 467 HB2 ASN 562 HB2 ASN 562 -7.922 17.622 -18.022 468 HB3 ASN 562 HB3 ASN 562 -9.524 17.220 -17.419 469 HD21 ASN 562 HD21 ASN 562 -8.951 19.855 -17.632 470 HD22 ASN 562 HD22 ASN 562 -8.645 20.545 -16.048 471 H ARG 563 H ARG 563 -7.698 16.277 -13.998 472 HA ARG 563 HA ARG 563 -9.454 14.135 -13.203 473 HB2 ARG 563 HB2 ARG 563 -9.100 14.971 -10.932 474 HB3 ARG 563 HB3 ARG 563 -7.584 14.860 -11.815 475 HG2 ARG 563 HG2 ARG 563 -7.610 17.329 -12.181 476 HG3 ARG 563 HG3 ARG 563 -9.115 17.447 -11.261 477 HD2 ARG 563 HD2 ARG 563 -6.471 16.398 -10.179 478 HD3 ARG 563 HD3 ARG 563 -7.082 18.029 -9.933 479 HE ARG 563 HE ARG 563 -7.914 15.594 -8.568 480 HH11 ARG 563 HH11 ARG 563 -8.998 18.878 -9.333 481 HH12 ARG 563 HH12 ARG 563 -10.134 18.902 -8.017 482 HH21 ARG 563 HH21 ARG 563 -9.405 15.691 -6.907 483 HH22 ARG 563 HH22 ARG 563 -10.358 17.123 -6.667 484 H ASP 564 H ASP 564 -9.940 17.620 -13.713 485 HA ASP 564 HA ASP 564 -12.852 17.295 -13.585 486 HB2 ASP 564 HB2 ASP 564 -12.282 17.537 -11.169 487 HB3 ASP 564 HB3 ASP 564 -11.411 19.026 -11.523 488 H SER 565 H SER 565 -13.940 18.936 -14.661 489 HA SER 565 HA SER 565 -12.668 21.476 -15.314 490 HB2 SER 565 HB2 SER 565 -11.609 19.778 -16.939 491 HB3 SER 565 HB3 SER 565 -13.216 19.609 -17.659 492 HG SER 565 HG SER 565 -11.918 21.198 -18.735 493 H SER 566 H SER 566 -14.106 22.736 -16.923 494 HA SER 566 HA SER 566 -16.814 22.717 -15.926 495 HB2 SER 566 HB2 SER 566 -15.622 24.139 -18.353 496 HB3 SER 566 HB3 SER 566 -17.186 24.503 -17.601 497 HG SER 566 HG SER 566 -15.511 25.917 -16.867 Start of MODEL 2 1 H1 GLY 502 H1 GLY 502 -13.879 14.616 -13.945 2 H2 GLY 502 H2 GLY 502 -13.240 15.714 -14.940 3 H3 GLY 502 H3 GLY 502 -12.763 14.170 -15.010 4 HA2 GLY 502 HA2 GLY 502 -15.434 15.152 -15.846 5 HA3 GLY 502 HA3 GLY 502 -14.112 14.726 -16.952 6 HA PRO 503 HA PRO 503 -16.827 10.964 -15.914 7 HB2 PRO 503 HB2 PRO 503 -18.327 10.745 -18.201 8 HB3 PRO 503 HB3 PRO 503 -18.772 11.845 -16.864 9 HG2 PRO 503 HG2 PRO 503 -17.272 12.532 -19.414 10 HG3 PRO 503 HG3 PRO 503 -18.693 13.367 -18.710 11 HD2 PRO 503 HD2 PRO 503 -16.131 14.234 -18.296 12 HD3 PRO 503 HD3 PRO 503 -17.388 14.369 -17.024 13 H VAL 504 H VAL 504 -16.795 8.821 -17.033 14 HA VAL 504 HA VAL 504 -15.063 8.492 -19.381 15 HB VAL 504 HB VAL 504 -13.451 8.787 -17.447 16 HG11 VAL 504 HG11 VAL 504 -14.442 6.089 -16.452 17 HG12 VAL 504 HG12 VAL 504 -13.073 7.028 -15.834 18 HG13 VAL 504 HG13 VAL 504 -14.719 7.650 -15.651 19 HG21 VAL 504 HG21 VAL 504 -13.312 6.088 -18.816 20 HG22 VAL 504 HG22 VAL 504 -12.811 7.641 -19.513 21 HG23 VAL 504 HG23 VAL 504 -11.969 6.992 -18.095 22 H GLN 505 H GLN 505 -15.277 6.447 -20.338 23 HA GLN 505 HA GLN 505 -17.574 4.863 -19.264 24 HB2 GLN 505 HB2 GLN 505 -17.407 6.026 -21.655 25 HB3 GLN 505 HB3 GLN 505 -16.460 4.598 -22.061 26 HG2 GLN 505 HG2 GLN 505 -18.569 3.308 -21.011 27 HG3 GLN 505 HG3 GLN 505 -19.387 4.843 -21.283 28 HE21 GLN 505 HE21 GLN 505 -17.853 2.052 -22.805 29 HE22 GLN 505 HE22 GLN 505 -18.332 2.436 -24.452 30 H ILE 506 H ILE 506 -14.466 4.622 -18.698 31 HA ILE 506 HA ILE 506 -14.443 1.682 -18.655 32 HB ILE 506 HB ILE 506 -13.598 2.247 -20.932 33 HG12 ILE 506 HG12 ILE 506 -11.346 1.080 -19.267 34 HG13 ILE 506 HG13 ILE 506 -12.846 0.218 -19.634 35 HG21 ILE 506 HG21 ILE 506 -11.221 3.592 -19.580 36 HG22 ILE 506 HG22 ILE 506 -11.472 3.357 -21.319 37 HG23 ILE 506 HG23 ILE 506 -12.531 4.442 -20.430 38 HD11 ILE 506 HD11 ILE 506 -12.360 0.440 -22.068 39 HD12 ILE 506 HD12 ILE 506 -10.808 1.215 -21.668 40 HD13 ILE 506 HD13 ILE 506 -11.115 -0.459 -21.184 41 H ASP 507 H ASP 507 -12.702 0.827 -17.317 42 HA ASP 507 HA ASP 507 -12.201 2.349 -14.977 43 HB2 ASP 507 HB2 ASP 507 -10.771 -0.105 -16.086 44 HB3 ASP 507 HB3 ASP 507 -10.525 0.545 -14.466 45 HA PRO 508 HA PRO 508 -8.856 4.879 -16.479 46 HB2 PRO 508 HB2 PRO 508 -8.268 6.255 -14.179 47 HB3 PRO 508 HB3 PRO 508 -9.808 6.458 -15.053 48 HG2 PRO 508 HG2 PRO 508 -9.280 4.683 -12.644 49 HG3 PRO 508 HG3 PRO 508 -10.592 5.883 -12.870 50 HD2 PRO 508 HD2 PRO 508 -10.923 3.211 -13.361 51 HD3 PRO 508 HD3 PRO 508 -11.752 4.464 -14.342 52 H TYR 509 H TYR 509 -6.531 5.561 -15.630 53 HA TYR 509 HA TYR 509 -4.350 4.860 -15.313 54 HB2 TYR 509 HB2 TYR 509 -5.640 3.310 -13.002 55 HB3 TYR 509 HB3 TYR 509 -3.921 3.589 -13.203 56 HD1 TYR 509 HD1 TYR 509 -2.919 5.834 -12.997 57 HD2 TYR 509 HD2 TYR 509 -7.098 5.134 -12.270 58 HE1 TYR 509 HE1 TYR 509 -3.078 8.031 -11.833 59 HE2 TYR 509 HE2 TYR 509 -7.276 7.325 -11.096 60 HH TYR 509 HH TYR 509 -6.157 9.222 -10.416 61 H LEU 510 H LEU 510 -5.516 3.474 -17.403 62 HA LEU 510 HA LEU 510 -5.149 0.601 -17.204 63 HB2 LEU 510 HB2 LEU 510 -5.050 2.315 -19.728 64 HB3 LEU 510 HB3 LEU 510 -5.357 0.602 -19.601 65 HG LEU 510 HG LEU 510 -7.449 1.435 -18.124 66 HD11 LEU 510 HD11 LEU 510 -6.946 3.734 -20.091 67 HD12 LEU 510 HD12 LEU 510 -7.000 3.874 -18.323 68 HD13 LEU 510 HD13 LEU 510 -8.462 3.464 -19.220 69 HD21 LEU 510 HD21 LEU 510 -7.376 1.432 -21.172 70 HD22 LEU 510 HD22 LEU 510 -8.827 1.263 -20.160 71 HD23 LEU 510 HD23 LEU 510 -7.579 0.011 -20.124 72 H GLU 511 H GLU 511 -3.460 -0.650 -18.225 73 HA GLU 511 HA GLU 511 -0.798 0.524 -17.826 74 HB2 GLU 511 HB2 GLU 511 -1.744 -2.277 -18.616 75 HB3 GLU 511 HB3 GLU 511 -0.040 -1.813 -18.444 76 HG2 GLU 511 HG2 GLU 511 -0.469 -1.152 -16.084 77 HG3 GLU 511 HG3 GLU 511 -2.147 -1.681 -16.243 78 H ASP 512 H ASP 512 -1.796 -1.655 -20.505 79 HA ASP 512 HA ASP 512 -1.433 0.301 -22.605 80 HB2 ASP 512 HB2 ASP 512 0.975 -0.018 -21.863 81 HB3 ASP 512 HB3 ASP 512 0.823 -1.728 -22.222 82 H SER 513 H SER 513 -2.903 -0.402 -24.044 83 HA SER 513 HA SER 513 -3.382 -3.332 -24.322 84 HB2 SER 513 HB2 SER 513 -5.017 -0.921 -25.221 85 HB3 SER 513 HB3 SER 513 -5.449 -2.606 -25.534 86 HG SER 513 HG SER 513 -6.477 -1.748 -23.633 87 H LEU 514 H LEU 514 -2.888 -4.448 -26.136 88 HA LEU 514 HA LEU 514 -1.302 -3.206 -28.230 89 HB2 LEU 514 HB2 LEU 514 -1.012 -5.556 -27.395 90 HB3 LEU 514 HB3 LEU 514 -2.582 -5.966 -28.069 91 HG LEU 514 HG LEU 514 -1.681 -5.460 -30.365 92 HD11 LEU 514 HD11 LEU 514 0.774 -5.320 -30.658 93 HD12 LEU 514 HD12 LEU 514 0.995 -5.272 -28.896 94 HD13 LEU 514 HD13 LEU 514 0.176 -3.941 -29.735 95 HD21 LEU 514 HD21 LEU 514 -0.180 -7.549 -28.723 96 HD22 LEU 514 HD22 LEU 514 -0.356 -7.547 -30.489 97 HD23 LEU 514 HD23 LEU 514 -1.783 -7.752 -29.466 98 H CYS 515 H CYS 515 -1.869 -2.663 -30.331 99 HA CYS 515 HA CYS 515 -4.558 -1.895 -30.877 100 HB2 CYS 515 HB2 CYS 515 -2.566 -0.904 -31.964 101 HB3 CYS 515 HB3 CYS 515 -2.269 -2.428 -32.804 102 H HIS 516 H HIS 516 -6.265 -2.856 -31.868 103 HA HIS 516 HA HIS 516 -6.358 -5.721 -31.942 104 HB2 HIS 516 HB2 HIS 516 -8.311 -4.324 -31.422 105 HB3 HIS 516 HB3 HIS 516 -8.262 -3.607 -33.025 106 HD2 HIS 516 HD2 HIS 516 -8.775 -7.160 -31.469 107 HE1 HIS 516 HE1 HIS 516 -11.137 -6.917 -35.002 108 HE2 HIS 516 HE2 HIS 516 -10.514 -8.384 -33.015 109 H ILE 517 H ILE 517 -5.805 -3.283 -34.480 110 HA ILE 517 HA ILE 517 -6.395 -5.119 -36.678 111 HB ILE 517 HB ILE 517 -5.127 -2.340 -36.646 112 HG12 ILE 517 HG12 ILE 517 -7.351 -2.166 -35.805 113 HG13 ILE 517 HG13 ILE 517 -7.352 -1.571 -37.453 114 HG21 ILE 517 HG21 ILE 517 -5.791 -2.249 -39.069 115 HG22 ILE 517 HG22 ILE 517 -4.479 -3.375 -38.730 116 HG23 ILE 517 HG23 ILE 517 -6.123 -3.994 -39.003 117 HD11 ILE 517 HD11 ILE 517 -8.471 -4.218 -36.445 118 HD12 ILE 517 HD12 ILE 517 -9.350 -2.848 -37.138 119 HD13 ILE 517 HD13 ILE 517 -8.295 -3.829 -38.171 120 H CYS 518 H CYS 518 -3.365 -3.235 -36.065 121 HA CYS 518 HA CYS 518 -1.864 -5.010 -37.777 122 HB2 CYS 518 HB2 CYS 518 0.073 -3.630 -37.081 123 HB3 CYS 518 HB3 CYS 518 -1.288 -2.687 -37.671 124 H SER 519 H SER 519 -2.348 -4.820 -34.272 125 HA SER 519 HA SER 519 -1.674 -6.190 -32.530 126 HB2 SER 519 HB2 SER 519 -1.118 -8.254 -34.724 127 HB3 SER 519 HB3 SER 519 -1.376 -8.565 -33.011 128 HG SER 519 HG SER 519 -3.278 -7.538 -34.872 129 H SER 520 H SER 520 0.443 -4.584 -34.157 130 HA SER 520 HA SER 520 2.880 -6.112 -33.293 131 HB2 SER 520 HB2 SER 520 4.079 -4.792 -35.000 132 HB3 SER 520 HB3 SER 520 2.732 -5.698 -35.702 133 HG SER 520 HG SER 520 2.666 -3.635 -36.533 134 H GLN 521 H GLN 521 0.941 -3.417 -32.488 135 HA GLN 521 HA GLN 521 2.850 -2.355 -30.571 136 HB2 GLN 521 HB2 GLN 521 3.159 -0.127 -31.608 137 HB3 GLN 521 HB3 GLN 521 3.753 -1.369 -32.680 138 HG2 GLN 521 HG2 GLN 521 1.305 -1.202 -33.743 139 HG3 GLN 521 HG3 GLN 521 1.296 0.368 -32.944 140 HE21 GLN 521 HE21 GLN 521 2.929 -1.666 -35.389 141 HE22 GLN 521 HE22 GLN 521 3.702 -0.317 -36.222 142 HA PRO 522 HA PRO 522 -1.028 -0.859 -28.962 143 HB2 PRO 522 HB2 PRO 522 -0.240 1.011 -27.151 144 HB3 PRO 522 HB3 PRO 522 0.169 -0.723 -26.969 145 HG2 PRO 522 HG2 PRO 522 1.907 1.487 -28.124 146 HG3 PRO 522 HG3 PRO 522 2.350 0.287 -26.872 147 HD2 PRO 522 HD2 PRO 522 2.952 -0.039 -29.516 148 HD3 PRO 522 HD3 PRO 522 2.564 -1.429 -28.457 149 H GLY 523 H GLY 523 -2.473 1.034 -28.855 150 HA2 GLY 523 HA2 GLY 523 -1.703 3.137 -30.854 151 HA3 GLY 523 HA3 GLY 523 -3.349 2.536 -30.614 152 HA PRO 524 HA PRO 524 -2.360 6.118 -27.608 153 HB2 PRO 524 HB2 PRO 524 -2.452 8.429 -29.055 154 HB3 PRO 524 HB3 PRO 524 -0.967 7.436 -28.947 155 HG2 PRO 524 HG2 PRO 524 -3.027 7.474 -31.173 156 HG3 PRO 524 HG3 PRO 524 -1.245 7.553 -31.316 157 HD2 PRO 524 HD2 PRO 524 -2.689 5.217 -31.583 158 HD3 PRO 524 HD3 PRO 524 -1.016 5.256 -30.941 159 H PHE 525 H PHE 525 -4.639 5.738 -30.293 160 HA PHE 525 HA PHE 525 -6.694 7.403 -28.966 161 HB2 PHE 525 HB2 PHE 525 -6.839 5.847 -31.574 162 HB3 PHE 525 HB3 PHE 525 -7.987 7.043 -30.994 163 HD1 PHE 525 HD2 PHE 525 -6.847 9.441 -30.399 164 HD2 PHE 525 HD1 PHE 525 -5.290 6.544 -33.191 165 HE1 PHE 525 HE2 PHE 525 -5.556 11.227 -31.539 166 HE2 PHE 525 HE1 PHE 525 -3.978 8.329 -34.305 167 HZ PHE 525 HZ PHE 525 -4.111 10.675 -33.487 168 H PHE 526 H PHE 526 -8.533 6.633 -28.027 169 HA PHE 526 HA PHE 526 -8.861 3.651 -27.903 170 HB2 PHE 526 HB2 PHE 526 -8.298 4.427 -25.703 171 HB3 PHE 526 HB3 PHE 526 -9.350 5.825 -25.840 172 HD1 PHE 526 HD2 PHE 526 -9.414 2.074 -25.537 173 HD2 PHE 526 HD1 PHE 526 -11.628 5.749 -25.159 174 HE1 PHE 526 HE2 PHE 526 -11.296 0.837 -24.509 175 HE2 PHE 526 HE1 PHE 526 -13.515 4.511 -24.140 176 HZ PHE 526 HZ PHE 526 -13.346 2.050 -23.801 177 H CYS 527 H CYS 527 -10.782 2.802 -28.516 178 HA CYS 527 HA CYS 527 -12.958 4.716 -29.290 179 HB2 CYS 527 HB2 CYS 527 -12.058 3.191 -31.071 180 HB3 CYS 527 HB3 CYS 527 -12.562 1.802 -30.101 181 H ARG 528 H ARG 528 -14.736 4.819 -28.038 182 HA ARG 528 HA ARG 528 -14.928 3.027 -25.725 183 HB2 ARG 528 HB2 ARG 528 -16.640 4.577 -24.964 184 HB3 ARG 528 HB3 ARG 528 -15.270 5.485 -25.599 185 HG2 ARG 528 HG2 ARG 528 -16.553 5.625 -27.834 186 HG3 ARG 528 HG3 ARG 528 -17.965 5.001 -26.966 187 HD2 ARG 528 HD2 ARG 528 -16.384 7.478 -26.267 188 HD3 ARG 528 HD3 ARG 528 -17.884 7.478 -27.207 189 HE ARG 528 HE ARG 528 -18.545 6.090 -24.892 190 HH11 ARG 528 HH11 ARG 528 -17.418 9.402 -25.472 191 HH12 ARG 528 HH12 ARG 528 -18.248 10.009 -24.072 192 HH21 ARG 528 HH21 ARG 528 -19.598 6.919 -23.187 193 HH22 ARG 528 HH22 ARG 528 -19.478 8.610 -22.774 194 H ASP 529 H ASP 529 -16.354 3.067 -28.892 195 HA ASP 529 HA ASP 529 -18.979 2.149 -28.316 196 HB2 ASP 529 HB2 ASP 529 -17.997 3.002 -30.555 197 HB3 ASP 529 HB3 ASP 529 -17.397 1.342 -30.781 198 H GLN 530 H GLN 530 -19.927 0.109 -28.183 199 HA GLN 530 HA GLN 530 -18.408 -1.965 -26.945 200 HB2 GLN 530 HB2 GLN 530 -20.452 -3.291 -27.107 201 HB3 GLN 530 HB3 GLN 530 -20.820 -1.650 -26.592 202 HG2 GLN 530 HG2 GLN 530 -21.591 -1.107 -28.916 203 HG3 GLN 530 HG3 GLN 530 -21.229 -2.764 -29.412 204 HE21 GLN 530 HE21 GLN 530 -23.308 -0.840 -27.151 205 HE22 GLN 530 HE22 GLN 530 -24.566 -2.063 -27.091 206 H VAL 531 H VAL 531 -18.978 -1.218 -30.338 207 HA VAL 531 HA VAL 531 -18.511 -3.865 -31.435 208 HB VAL 531 HB VAL 531 -18.231 -1.046 -32.517 209 HG11 VAL 531 HG11 VAL 531 -18.100 -2.012 -34.795 210 HG12 VAL 531 HG12 VAL 531 -16.631 -2.219 -33.830 211 HG13 VAL 531 HG13 VAL 531 -17.742 -3.598 -34.076 212 HG21 VAL 531 HG21 VAL 531 -20.563 -1.910 -32.187 213 HG22 VAL 531 HG22 VAL 531 -20.169 -1.598 -33.893 214 HG23 VAL 531 HG23 VAL 531 -20.183 -3.263 -33.272 215 H CYS 532 H CYS 532 -16.373 -1.170 -30.470 216 HA CYS 532 HA CYS 532 -13.984 -2.741 -31.357 217 HB2 CYS 532 HB2 CYS 532 -14.341 0.215 -30.738 218 HB3 CYS 532 HB3 CYS 532 -12.815 -0.532 -31.221 219 H PHE 533 H PHE 533 -14.404 -0.184 -28.848 220 HA PHE 533 HA PHE 533 -13.707 -0.054 -26.658 221 HB2 PHE 533 HB2 PHE 533 -15.518 -1.936 -26.680 222 HB3 PHE 533 HB3 PHE 533 -14.195 -3.044 -26.388 223 HD1 PHE 533 HD2 PHE 533 -15.336 0.376 -25.150 224 HD2 PHE 533 HD1 PHE 533 -13.927 -3.572 -24.090 225 HE1 PHE 533 HE2 PHE 533 -15.551 0.935 -22.746 226 HE2 PHE 533 HE1 PHE 533 -14.143 -2.994 -21.687 227 HZ PHE 533 HZ PHE 533 -14.963 -0.744 -21.011 228 H LYS 534 H LYS 534 -11.527 -0.030 -28.231 229 HA LYS 534 HA LYS 534 -9.469 -1.189 -26.525 230 HB2 LYS 534 HB2 LYS 534 -10.336 -2.950 -28.500 231 HB3 LYS 534 HB3 LYS 534 -9.031 -2.116 -29.336 232 HG2 LYS 534 HG2 LYS 534 -7.604 -2.605 -27.209 233 HG3 LYS 534 HG3 LYS 534 -8.938 -3.649 -26.699 234 HD2 LYS 534 HD2 LYS 534 -8.657 -4.939 -28.862 235 HD3 LYS 534 HD3 LYS 534 -7.247 -3.910 -29.220 236 HE2 LYS 534 HE2 LYS 534 -6.320 -4.624 -26.932 237 HE3 LYS 534 HE3 LYS 534 -7.614 -5.830 -26.872 238 HZ1 LYS 534 HZ1 LYS 534 -5.601 -6.793 -27.769 239 HZ2 LYS 534 HZ2 LYS 534 -5.472 -5.624 -28.909 240 HZ3 LYS 534 HZ3 LYS 534 -6.696 -6.730 -28.982 241 H TYR 535 H TYR 535 -7.198 -0.869 -27.792 242 HA TYR 535 HA TYR 535 -7.152 1.987 -28.554 243 HB2 TYR 535 HB2 TYR 535 -4.967 -0.043 -27.974 244 HB3 TYR 535 HB3 TYR 535 -4.656 1.597 -28.496 245 HD1 TYR 535 HD1 TYR 535 -7.405 1.952 -26.318 246 HD2 TYR 535 HD2 TYR 535 -3.183 1.105 -26.335 247 HE1 TYR 535 HE1 TYR 535 -7.278 2.616 -23.948 248 HE2 TYR 535 HE2 TYR 535 -3.043 1.774 -23.947 249 HH TYR 535 HH TYR 535 -5.900 2.917 -22.113 250 H PHE 536 H PHE 536 -6.160 2.798 -30.467 251 HA PHE 536 HA PHE 536 -5.457 0.853 -32.601 252 HB2 PHE 536 HB2 PHE 536 -7.569 3.010 -32.912 253 HB3 PHE 536 HB3 PHE 536 -6.901 2.087 -34.236 254 HD1 PHE 536 HD2 PHE 536 -9.112 1.950 -31.258 255 HD2 PHE 536 HD1 PHE 536 -7.623 -0.180 -34.694 256 HE1 PHE 536 HE2 PHE 536 -10.800 0.185 -30.892 257 HE2 PHE 536 HE1 PHE 536 -9.362 -1.929 -34.360 258 HZ PHE 536 HZ PHE 536 -10.939 -1.763 -32.448 259 H CYS 537 H CYS 537 -4.005 1.647 -34.112 260 HA CYS 537 HA CYS 537 -2.626 4.175 -33.536 261 HB2 CYS 537 HB2 CYS 537 -2.277 2.566 -36.079 262 HB3 CYS 537 HB3 CYS 537 -1.098 3.527 -35.199 263 H ARG 538 H ARG 538 -2.255 5.748 -35.461 264 HA ARG 538 HA ARG 538 -4.721 6.966 -36.152 265 HB2 ARG 538 HB2 ARG 538 -2.451 8.062 -36.110 266 HB3 ARG 538 HB3 ARG 538 -2.058 7.271 -37.639 267 HG2 ARG 538 HG2 ARG 538 -3.941 8.450 -38.743 268 HG3 ARG 538 HG3 ARG 538 -4.413 9.169 -37.193 269 HD2 ARG 538 HD2 ARG 538 -2.222 10.353 -37.086 270 HD3 ARG 538 HD3 ARG 538 -1.748 9.605 -38.611 271 HE ARG 538 HE ARG 538 -3.093 11.058 -39.795 272 HH11 ARG 538 HH21 ARG 538 -3.913 11.473 -36.376 273 HH12 ARG 538 HH22 ARG 538 -4.856 12.900 -36.686 274 HH21 ARG 538 HH11 ARG 538 -4.325 12.893 -40.118 275 HH22 ARG 538 HH12 ARG 538 -5.086 13.687 -38.774 276 H SER 539 H SER 539 -2.554 4.967 -38.252 277 HA SER 539 HA SER 539 -4.311 5.072 -40.546 278 HB2 SER 539 HB2 SER 539 -1.831 4.595 -40.595 279 HB3 SER 539 HB3 SER 539 -2.163 3.009 -39.886 280 HG SER 539 HG SER 539 -2.901 4.009 -42.457 281 H CYS 540 H CYS 540 -3.890 2.748 -37.855 282 HA CYS 540 HA CYS 540 -5.611 0.699 -38.916 283 HB2 CYS 540 HB2 CYS 540 -4.851 1.368 -36.049 284 HB3 CYS 540 HB3 CYS 540 -5.611 -0.130 -36.562 285 H TRP 541 H TRP 541 -6.167 3.524 -36.791 286 HA TRP 541 HA TRP 541 -8.900 2.978 -36.158 287 HB2 TRP 541 HB2 TRP 541 -7.539 4.640 -34.951 288 HB3 TRP 541 HB3 TRP 541 -7.367 5.613 -36.402 289 HD1 TRP 541 HD1 TRP 541 -9.642 6.797 -37.326 290 HE1 TRP 541 HE1 TRP 541 -11.830 7.506 -36.165 291 HE3 TRP 541 HE3 TRP 541 -8.826 4.704 -32.753 292 HZ2 TRP 541 HZ2 TRP 541 -13.226 6.814 -33.686 293 HZ3 TRP 541 HZ3 TRP 541 -10.543 4.801 -30.995 294 HH2 TRP 541 HH2 TRP 541 -12.791 5.759 -31.480 295 H HIS 542 H HIS 542 -7.372 4.900 -38.792 296 HA HIS 542 HA HIS 542 -9.742 5.814 -40.038 297 HB2 HIS 542 HB2 HIS 542 -7.491 6.634 -40.601 298 HB3 HIS 542 HB3 HIS 542 -7.052 5.065 -41.273 299 HD2 HIS 542 HD2 HIS 542 -7.571 4.667 -43.788 300 HE1 HIS 542 HE1 HIS 542 -10.140 7.983 -44.511 301 HE2 HIS 542 HE2 HIS 542 -8.912 6.031 -45.594 302 H TRP 543 H TRP 543 -7.926 2.728 -40.477 303 HA TRP 543 HA TRP 543 -9.622 1.719 -42.590 304 HB2 TRP 543 HB2 TRP 543 -7.318 0.913 -42.142 305 HB3 TRP 543 HB3 TRP 543 -7.833 0.242 -40.602 306 HD1 TRP 543 HD1 TRP 543 -7.927 -0.383 -44.330 307 HE1 TRP 543 HE1 TRP 543 -8.823 -2.730 -44.844 308 HE3 TRP 543 HE3 TRP 543 -9.436 -1.737 -39.612 309 HZ2 TRP 543 HZ2 TRP 543 -10.114 -4.880 -43.417 310 HZ3 TRP 543 HZ3 TRP 543 -10.565 -3.912 -39.245 311 HH2 TRP 543 HH2 TRP 543 -10.896 -5.496 -41.127 312 H ARG 544 H ARG 544 -9.520 1.160 -39.021 313 HA ARG 544 HA ARG 544 -11.505 -0.840 -38.888 314 HB2 ARG 544 HB2 ARG 544 -10.041 -0.315 -37.022 315 HB3 ARG 544 HB3 ARG 544 -10.691 1.311 -36.896 316 HG2 ARG 544 HG2 ARG 544 -11.532 0.060 -35.081 317 HG3 ARG 544 HG3 ARG 544 -12.891 0.374 -36.139 318 HD2 ARG 544 HD2 ARG 544 -11.327 -2.242 -36.092 319 HD3 ARG 544 HD3 ARG 544 -12.769 -1.936 -35.115 320 HE ARG 544 HE ARG 544 -13.596 -1.328 -37.674 321 HH11 ARG 544 HH21 ARG 544 -12.299 -4.266 -36.172 322 HH12 ARG 544 HH22 ARG 544 -13.115 -5.302 -37.306 323 HH21 ARG 544 HH11 ARG 544 -14.575 -2.707 -39.104 324 HH22 ARG 544 HH12 ARG 544 -14.398 -4.426 -38.941 325 H HIS 545 H HIS 545 -11.870 2.724 -38.733 326 HA HIS 545 HA HIS 545 -14.812 2.403 -38.446 327 HB2 HIS 545 HB2 HIS 545 -13.070 4.913 -38.345 328 HB3 HIS 545 HB3 HIS 545 -14.775 4.789 -37.876 329 HD1 HIS 545 HD1 HIS 545 -11.329 4.155 -36.489 330 HD2 HIS 545 HD2 HIS 545 -15.285 2.996 -35.769 331 HE1 HIS 545 HE1 HIS 545 -11.344 3.078 -34.167 332 H SER 546 H SER 546 -13.039 2.140 -41.081 333 HA SER 546 HA SER 546 -14.220 4.169 -42.846 334 HB2 SER 546 HB2 SER 546 -11.994 3.060 -43.270 335 HB3 SER 546 HB3 SER 546 -12.854 1.536 -43.539 336 HG SER 546 HG SER 546 -12.386 2.682 -45.503 337 H MET 547 H MET 547 -14.917 0.832 -41.829 338 HA MET 547 HA MET 547 -16.821 0.182 -43.867 339 HB2 MET 547 HB2 MET 547 -16.578 -0.852 -41.001 340 HB3 MET 547 HB3 MET 547 -17.543 -1.596 -42.283 341 HG2 MET 547 HG2 MET 547 -15.471 -1.902 -43.643 342 HG3 MET 547 HG3 MET 547 -14.515 -1.241 -42.315 343 HE1 MET 547 HE1 MET 547 -13.420 -4.925 -42.190 344 HE2 MET 547 HE2 MET 547 -13.732 -3.908 -43.612 345 HE3 MET 547 HE3 MET 547 -12.912 -3.224 -42.190 346 H GLU 548 H GLU 548 -19.030 0.385 -43.995 347 HA GLU 548 HA GLU 548 -20.292 2.599 -42.706 348 HB2 GLU 548 HB2 GLU 548 -21.463 0.200 -44.190 349 HB3 GLU 548 HB3 GLU 548 -22.397 1.609 -43.672 350 HG2 GLU 548 HG2 GLU 548 -20.940 3.087 -45.042 351 HG3 GLU 548 HG3 GLU 548 -20.046 1.674 -45.614 352 H GLY 549 H GLY 549 -21.792 2.745 -41.033 353 HA2 GLY 549 HA2 GLY 549 -23.227 1.836 -39.344 354 HA3 GLY 549 HA3 GLY 549 -22.403 0.272 -39.485 355 H LEU 550 H LEU 550 -19.731 1.903 -39.450 356 HA LEU 550 HA LEU 550 -19.624 2.275 -36.466 357 HB2 LEU 550 HB2 LEU 550 -17.508 1.396 -38.477 358 HB3 LEU 550 HB3 LEU 550 -17.141 1.940 -36.843 359 HG LEU 550 HG LEU 550 -18.495 0.122 -35.888 360 HD11 LEU 550 HD11 LEU 550 -19.925 -0.585 -37.729 361 HD12 LEU 550 HD12 LEU 550 -18.890 -1.909 -37.226 362 HD13 LEU 550 HD13 LEU 550 -18.499 -1.005 -38.716 363 HD21 LEU 550 HD21 LEU 550 -16.658 -1.589 -36.446 364 HD22 LEU 550 HD22 LEU 550 -16.129 -0.001 -35.868 365 HD23 LEU 550 HD23 LEU 550 -16.047 -0.401 -37.605 366 H ARG 551 H ARG 551 -20.076 4.163 -39.052 367 HA ARG 551 HA ARG 551 -17.844 5.972 -39.067 368 HB2 ARG 551 HB2 ARG 551 -20.705 6.633 -39.867 369 HB3 ARG 551 HB3 ARG 551 -19.224 7.389 -40.439 370 HG2 ARG 551 HG2 ARG 551 -20.340 4.664 -41.134 371 HG3 ARG 551 HG3 ARG 551 -20.041 6.022 -42.196 372 HD2 ARG 551 HD2 ARG 551 -18.002 4.167 -40.919 373 HD3 ARG 551 HD3 ARG 551 -18.399 4.285 -42.627 374 HE ARG 551 HE ARG 551 -16.425 5.709 -41.221 375 HH11 ARG 551 HH11 ARG 551 -18.732 6.322 -43.838 376 HH12 ARG 551 HH12 ARG 551 -17.747 7.578 -44.528 377 HH21 ARG 551 HH21 ARG 551 -15.267 7.391 -42.096 378 HH22 ARG 551 HH22 ARG 551 -15.803 8.167 -43.557 379 H HIS 552 H HIS 552 -20.361 5.556 -36.759 380 HA HIS 552 HA HIS 552 -20.485 8.370 -35.914 381 HB2 HIS 552 HB2 HIS 552 -22.104 7.548 -34.260 382 HB3 HIS 552 HB3 HIS 552 -22.498 6.953 -35.868 383 HD2 HIS 552 HD2 HIS 552 -21.696 5.761 -32.376 384 HE1 HIS 552 HE1 HIS 552 -21.422 2.253 -34.757 385 HE2 HIS 552 HE2 HIS 552 -21.479 3.151 -32.366 386 H HIS 553 H HIS 553 -18.228 5.934 -35.410 387 HA HIS 553 HA HIS 553 -17.776 6.192 -32.548 388 HB2 HIS 553 HB2 HIS 553 -15.995 5.151 -34.783 389 HB3 HIS 553 HB3 HIS 553 -15.631 5.002 -33.074 390 HD2 HIS 553 HD2 HIS 553 -19.248 4.213 -34.033 391 HE1 HIS 553 HE1 HIS 553 -17.287 0.461 -33.666 392 HE2 HIS 553 HE2 HIS 553 -19.550 1.605 -33.938 393 H SER 554 H SER 554 -16.073 7.286 -31.453 394 HA SER 554 HA SER 554 -14.578 9.358 -33.016 395 HB2 SER 554 HB2 SER 554 -16.122 9.806 -30.426 396 HB3 SER 554 HB3 SER 554 -15.000 10.973 -31.149 397 HG SER 554 HG SER 554 -17.208 11.378 -31.731 398 HA PRO 555 HA PRO 555 -11.298 7.633 -30.595 399 HB2 PRO 555 HB2 PRO 555 -9.213 9.188 -31.447 400 HB3 PRO 555 HB3 PRO 555 -10.055 8.052 -32.526 401 HG2 PRO 555 HG2 PRO 555 -10.448 11.043 -32.299 402 HG3 PRO 555 HG3 PRO 555 -10.318 10.043 -33.776 403 HD2 PRO 555 HD2 PRO 555 -12.726 10.854 -32.668 404 HD3 PRO 555 HD3 PRO 555 -12.522 9.351 -33.624 405 H LEU 556 H LEU 556 -11.148 7.861 -28.434 406 HA LEU 556 HA LEU 556 -10.761 10.539 -27.223 407 HB2 LEU 556 HB2 LEU 556 -11.109 7.736 -26.129 408 HB3 LEU 556 HB3 LEU 556 -10.781 9.105 -25.072 409 HG LEU 556 HG LEU 556 -13.037 9.360 -27.070 410 HD11 LEU 556 HD11 LEU 556 -13.413 7.191 -26.196 411 HD12 LEU 556 HD12 LEU 556 -14.575 8.310 -25.428 412 HD13 LEU 556 HD13 LEU 556 -13.164 7.733 -24.510 413 HD21 LEU 556 HD21 LEU 556 -12.183 11.236 -25.578 414 HD22 LEU 556 HD22 LEU 556 -12.714 10.292 -24.177 415 HD23 LEU 556 HD23 LEU 556 -13.914 10.858 -25.363 416 H MET 557 H MET 557 -9.028 10.790 -25.577 417 HA MET 557 HA MET 557 -6.462 9.586 -26.526 418 HB2 MET 557 HB2 MET 557 -7.068 11.905 -24.632 419 HB3 MET 557 HB3 MET 557 -5.443 11.291 -24.961 420 HG2 MET 557 HG2 MET 557 -7.337 12.412 -27.065 421 HG3 MET 557 HG3 MET 557 -6.014 13.290 -26.306 422 HE1 MET 557 HE1 MET 557 -4.722 12.883 -29.941 423 HE2 MET 557 HE2 MET 557 -6.413 13.104 -29.442 424 HE3 MET 557 HE3 MET 557 -5.115 14.001 -28.620 425 H ARG 558 H ARG 558 -5.384 8.065 -25.372 426 HA ARG 558 HA ARG 558 -6.672 6.784 -23.127 427 HB2 ARG 558 HB2 ARG 558 -4.798 5.326 -23.089 428 HB3 ARG 558 HB3 ARG 558 -5.217 5.587 -24.763 429 HG2 ARG 558 HG2 ARG 558 -3.251 6.769 -25.241 430 HG3 ARG 558 HG3 ARG 558 -2.982 7.270 -23.577 431 HD2 ARG 558 HD2 ARG 558 -2.699 4.408 -24.563 432 HD3 ARG 558 HD3 ARG 558 -1.363 5.550 -24.327 433 HE ARG 558 HE ARG 558 -2.726 5.564 -21.908 434 HH11 ARG 558 HH11 ARG 558 -0.701 3.174 -23.610 435 HH12 ARG 558 HH12 ARG 558 -0.515 2.256 -22.133 436 HH21 ARG 558 HH21 ARG 558 -2.657 4.112 -20.223 437 HH22 ARG 558 HH22 ARG 558 -1.503 2.797 -20.296 438 H ASN 559 H ASN 559 -5.521 6.345 -21.018 439 HA ASN 559 HA ASN 559 -4.963 8.807 -19.635 440 HB2 ASN 559 HB2 ASN 559 -4.587 7.420 -17.703 441 HB3 ASN 559 HB3 ASN 559 -5.930 6.716 -18.592 442 HD21 ASN 559 HD21 ASN 559 -3.019 5.939 -17.022 443 HD22 ASN 559 HD22 ASN 559 -2.759 4.382 -17.804 444 H GLN 560 H GLN 560 -2.984 9.394 -18.501 445 HA GLN 560 HA GLN 560 -0.465 8.274 -19.654 446 HB2 GLN 560 HB2 GLN 560 -1.144 11.244 -19.405 447 HB3 GLN 560 HB3 GLN 560 0.434 10.592 -19.857 448 HG2 GLN 560 HG2 GLN 560 -0.585 9.538 -21.878 449 HG3 GLN 560 HG3 GLN 560 -2.136 10.277 -21.465 450 HE21 GLN 560 HE21 GLN 560 -1.428 10.992 -23.896 451 HE22 GLN 560 HE22 GLN 560 -0.695 12.589 -23.921 452 H LYS 561 H LYS 561 1.489 9.238 -18.379 453 HA LYS 561 HA LYS 561 1.150 8.576 -15.593 454 HB2 LYS 561 HB2 LYS 561 3.509 9.223 -15.380 455 HB3 LYS 561 HB3 LYS 561 3.248 8.197 -16.785 456 HG2 LYS 561 HG2 LYS 561 3.373 10.196 -18.277 457 HG3 LYS 561 HG3 LYS 561 3.583 11.235 -16.863 458 HD2 LYS 561 HD2 LYS 561 5.724 10.873 -17.884 459 HD3 LYS 561 HD3 LYS 561 5.698 10.074 -16.306 460 HE2 LYS 561 HE2 LYS 561 5.282 7.887 -17.419 461 HE3 LYS 561 HE3 LYS 561 5.248 8.688 -18.996 462 HZ1 LYS 561 HZ1 LYS 561 7.599 8.589 -17.184 463 HZ2 LYS 561 HZ2 LYS 561 7.570 9.325 -18.645 464 HZ3 LYS 561 HZ3 LYS 561 7.414 7.702 -18.542 465 H ASN 562 H ASN 562 1.461 9.932 -13.731 466 HA ASN 562 HA ASN 562 0.032 12.430 -13.843 467 HB2 ASN 562 HB2 ASN 562 0.057 10.933 -11.863 468 HB3 ASN 562 HB3 ASN 562 1.778 11.234 -11.637 469 HD21 ASN 562 HD21 ASN 562 0.578 11.745 -9.419 470 HD22 ASN 562 HD22 ASN 562 0.233 13.455 -9.194 471 H ARG 563 H ARG 563 0.740 14.426 -14.324 472 HA ARG 563 HA ARG 563 3.666 15.039 -14.025 473 HB2 ARG 563 HB2 ARG 563 3.466 16.516 -15.994 474 HB3 ARG 563 HB3 ARG 563 3.139 14.833 -16.387 475 HG2 ARG 563 HG2 ARG 563 0.736 15.249 -16.521 476 HG3 ARG 563 HG3 ARG 563 0.940 16.893 -15.901 477 HD2 ARG 563 HD2 ARG 563 0.615 16.988 -18.298 478 HD3 ARG 563 HD3 ARG 563 2.239 17.519 -17.892 479 HE ARG 563 HE ARG 563 3.162 15.655 -18.940 480 HH11 ARG 563 HH11 ARG 563 -0.376 15.234 -18.965 481 HH12 ARG 563 HH12 ARG 563 -0.255 13.989 -20.195 482 HH21 ARG 563 HH21 ARG 563 3.142 14.009 -20.494 483 HH22 ARG 563 HH22 ARG 563 1.599 13.340 -20.993 484 H ASP 564 H ASP 564 0.671 15.640 -12.752 485 HA ASP 564 HA ASP 564 0.948 18.579 -12.437 486 HB2 ASP 564 HB2 ASP 564 -1.282 17.530 -12.848 487 HB3 ASP 564 HB3 ASP 564 -1.127 16.628 -11.340 488 H SER 565 H SER 565 1.452 15.559 -10.651 489 HA SER 565 HA SER 565 2.872 17.052 -8.527 490 HB2 SER 565 HB2 SER 565 1.613 15.966 -6.704 491 HB3 SER 565 HB3 SER 565 0.558 16.973 -7.692 492 HG SER 565 HG SER 565 -0.411 14.959 -7.214 493 H SER 566 H SER 566 3.712 15.301 -6.828 494 HA SER 566 HA SER 566 5.456 13.547 -8.271 495 HB2 SER 566 HB2 SER 566 4.721 13.526 -5.306 496 HB3 SER 566 HB3 SER 566 6.133 12.741 -6.038 497 HG SER 566 HG SER 566 6.650 14.803 -5.131 Start of MODEL 3 1 H1 GLY 502 H1 GLY 502 -4.759 20.854 -32.397 2 H2 GLY 502 H2 GLY 502 -3.888 20.598 -31.062 3 H3 GLY 502 H3 GLY 502 -4.683 19.379 -31.744 4 HA2 GLY 502 HA2 GLY 502 -3.184 19.370 -33.670 5 HA3 GLY 502 HA3 GLY 502 -2.305 20.713 -32.912 6 HA PRO 503 HA PRO 503 -0.502 16.578 -31.537 7 HB2 PRO 503 HB2 PRO 503 1.956 16.717 -32.748 8 HB3 PRO 503 HB3 PRO 503 0.488 16.184 -33.617 9 HG2 PRO 503 HG2 PRO 503 1.734 18.954 -33.599 10 HG3 PRO 503 HG3 PRO 503 1.232 17.978 -35.018 11 HD2 PRO 503 HD2 PRO 503 -0.368 19.911 -33.928 12 HD3 PRO 503 HD3 PRO 503 -1.051 18.406 -34.622 13 H VAL 504 H VAL 504 1.474 16.227 -30.160 14 HA VAL 504 HA VAL 504 2.932 18.581 -29.195 15 HB VAL 504 HB VAL 504 0.681 18.683 -28.002 16 HG11 VAL 504 HG11 VAL 504 0.294 16.259 -27.640 17 HG12 VAL 504 HG12 VAL 504 1.628 16.237 -26.461 18 HG13 VAL 504 HG13 VAL 504 0.183 17.211 -26.152 19 HG21 VAL 504 HG21 VAL 504 1.599 19.255 -25.843 20 HG22 VAL 504 HG22 VAL 504 3.082 18.352 -26.183 21 HG23 VAL 504 HG23 VAL 504 2.686 19.799 -27.131 22 H GLN 505 H GLN 505 4.717 18.024 -27.835 23 HA GLN 505 HA GLN 505 5.852 15.453 -28.442 24 HB2 GLN 505 HB2 GLN 505 6.712 17.595 -26.441 25 HB3 GLN 505 HB3 GLN 505 7.691 16.208 -26.909 26 HG2 GLN 505 HG2 GLN 505 6.760 18.424 -28.797 27 HG3 GLN 505 HG3 GLN 505 8.363 18.265 -28.093 28 HE21 GLN 505 HE21 GLN 505 9.673 16.276 -28.721 29 HE22 GLN 505 HE22 GLN 505 9.362 15.590 -30.308 30 H ILE 506 H ILE 506 4.297 16.797 -25.505 31 HA ILE 506 HA ILE 506 4.867 14.352 -23.945 32 HB ILE 506 HB ILE 506 3.506 15.569 -22.171 33 HG12 ILE 506 HG12 ILE 506 3.667 17.974 -24.034 34 HG13 ILE 506 HG13 ILE 506 2.179 17.088 -23.685 35 HG21 ILE 506 HG21 ILE 506 5.366 17.002 -21.588 36 HG22 ILE 506 HG22 ILE 506 5.979 15.539 -22.350 37 HG23 ILE 506 HG23 ILE 506 5.916 17.054 -23.278 38 HD11 ILE 506 HD11 ILE 506 3.864 18.720 -21.748 39 HD12 ILE 506 HD12 ILE 506 2.211 19.030 -22.288 40 HD13 ILE 506 HD13 ILE 506 2.548 17.646 -21.225 41 H ASP 507 H ASP 507 3.536 13.494 -26.109 42 HA ASP 507 HA ASP 507 0.678 13.145 -25.292 43 HB2 ASP 507 HB2 ASP 507 0.965 13.922 -27.576 44 HB3 ASP 507 HB3 ASP 507 2.133 12.645 -27.918 45 HA PRO 508 HA PRO 508 2.254 9.098 -23.999 46 HB2 PRO 508 HB2 PRO 508 0.282 8.455 -22.229 47 HB3 PRO 508 HB3 PRO 508 1.478 9.738 -21.884 48 HG2 PRO 508 HG2 PRO 508 -1.348 10.061 -22.943 49 HG3 PRO 508 HG3 PRO 508 -0.548 10.961 -21.616 50 HD2 PRO 508 HD2 PRO 508 -0.718 11.882 -24.218 51 HD3 PRO 508 HD3 PRO 508 0.624 12.311 -23.108 52 H TYR 509 H TYR 509 1.613 6.872 -24.288 53 HA TYR 509 HA TYR 509 -0.382 6.468 -26.439 54 HB2 TYR 509 HB2 TYR 509 1.503 4.507 -25.051 55 HB3 TYR 509 HB3 TYR 509 0.508 4.145 -26.456 56 HD1 TYR 509 HD2 TYR 509 1.010 5.082 -28.678 57 HD2 TYR 509 HD1 TYR 509 3.577 5.793 -25.287 58 HE1 TYR 509 HE2 TYR 509 2.817 5.851 -30.208 59 HE2 TYR 509 HE1 TYR 509 5.385 6.561 -26.808 60 HH TYR 509 HH TYR 509 6.014 6.947 -28.988 61 H LEU 510 H LEU 510 -1.410 7.294 -23.833 62 HA LEU 510 HA LEU 510 -3.034 6.765 -22.284 63 HB2 LEU 510 HB2 LEU 510 -3.692 4.372 -24.087 64 HB3 LEU 510 HB3 LEU 510 -4.736 5.125 -22.880 65 HG LEU 510 HG LEU 510 -3.788 6.391 -25.481 66 HD11 LEU 510 HD11 LEU 510 -6.504 5.300 -24.633 67 HD12 LEU 510 HD12 LEU 510 -5.398 4.571 -25.819 68 HD13 LEU 510 HD13 LEU 510 -6.150 6.136 -26.160 69 HD21 LEU 510 HD21 LEU 510 -4.138 8.145 -23.790 70 HD22 LEU 510 HD22 LEU 510 -5.722 7.453 -23.371 71 HD23 LEU 510 HD23 LEU 510 -5.448 8.171 -24.974 72 H GLU 511 H GLU 511 -3.603 3.505 -22.301 73 HA GLU 511 HA GLU 511 -1.832 3.042 -19.975 74 HB2 GLU 511 HB2 GLU 511 -3.923 1.215 -21.254 75 HB3 GLU 511 HB3 GLU 511 -3.094 0.948 -19.728 76 HG2 GLU 511 HG2 GLU 511 -4.061 3.055 -18.813 77 HG3 GLU 511 HG3 GLU 511 -5.002 3.251 -20.293 78 H ASP 512 H ASP 512 -1.222 2.942 -23.187 79 HA ASP 512 HA ASP 512 0.372 1.920 -24.499 80 HB2 ASP 512 HB2 ASP 512 1.712 2.483 -22.390 81 HB3 ASP 512 HB3 ASP 512 1.551 0.801 -21.901 82 H SER 513 H SER 513 -2.017 0.510 -24.365 83 HA SER 513 HA SER 513 -1.312 -2.369 -24.112 84 HB2 SER 513 HB2 SER 513 -3.535 -1.380 -23.297 85 HB3 SER 513 HB3 SER 513 -3.972 -1.195 -25.007 86 HG SER 513 HG SER 513 -4.679 -3.214 -24.079 87 H LEU 514 H LEU 514 -1.288 -3.803 -25.862 88 HA LEU 514 HA LEU 514 -0.286 -2.725 -28.316 89 HB2 LEU 514 HB2 LEU 514 0.310 -4.962 -27.340 90 HB3 LEU 514 HB3 LEU 514 -1.318 -5.523 -27.709 91 HG LEU 514 HG LEU 514 -0.832 -5.108 -30.162 92 HD11 LEU 514 HD11 LEU 514 1.422 -4.754 -30.936 93 HD12 LEU 514 HD12 LEU 514 2.081 -4.885 -29.285 94 HD13 LEU 514 HD13 LEU 514 1.105 -3.493 -29.761 95 HD21 LEU 514 HD21 LEU 514 -0.700 -7.347 -29.174 96 HD22 LEU 514 HD22 LEU 514 0.985 -7.056 -28.687 97 HD23 LEU 514 HD23 LEU 514 0.553 -7.142 -30.407 98 H CYS 515 H CYS 515 -1.207 -2.323 -30.282 99 HA CYS 515 HA CYS 515 -4.100 -2.145 -30.528 100 HB2 CYS 515 HB2 CYS 515 -2.579 -0.616 -31.728 101 HB3 CYS 515 HB3 CYS 515 -1.859 -1.986 -32.571 102 H HIS 516 H HIS 516 -5.479 -3.746 -31.011 103 HA HIS 516 HA HIS 516 -4.536 -6.420 -31.426 104 HB2 HIS 516 HB2 HIS 516 -6.844 -7.049 -31.426 105 HB3 HIS 516 HB3 HIS 516 -6.647 -5.772 -30.236 106 HD2 HIS 516 HD2 HIS 516 -7.377 -3.166 -31.317 107 HE1 HIS 516 HE1 HIS 516 -10.476 -4.860 -33.677 108 HE2 HIS 516 HE2 HIS 516 -9.536 -2.692 -32.708 109 H ILE 517 H ILE 517 -5.342 -3.879 -33.710 110 HA ILE 517 HA ILE 517 -6.057 -5.591 -35.944 111 HB ILE 517 HB ILE 517 -5.105 -2.688 -35.847 112 HG12 ILE 517 HG12 ILE 517 -7.210 -2.923 -34.676 113 HG13 ILE 517 HG13 ILE 517 -7.466 -2.107 -36.206 114 HG21 ILE 517 HG21 ILE 517 -4.669 -3.448 -38.087 115 HG22 ILE 517 HG22 ILE 517 -6.234 -4.276 -38.186 116 HG23 ILE 517 HG23 ILE 517 -6.154 -2.502 -38.132 117 HD11 ILE 517 HD11 ILE 517 -8.168 -5.005 -35.578 118 HD12 ILE 517 HD12 ILE 517 -9.281 -3.655 -35.839 119 HD13 ILE 517 HD13 ILE 517 -8.312 -4.267 -37.186 120 H CYS 518 H CYS 518 -3.113 -3.531 -35.463 121 HA CYS 518 HA CYS 518 -1.691 -5.059 -37.520 122 HB2 CYS 518 HB2 CYS 518 0.135 -3.448 -37.061 123 HB3 CYS 518 HB3 CYS 518 -1.408 -2.682 -37.438 124 H SER 519 H SER 519 -1.796 -4.937 -33.983 125 HA SER 519 HA SER 519 -0.791 -6.225 -32.343 126 HB2 SER 519 HB2 SER 519 -0.461 -8.519 -32.775 127 HB3 SER 519 HB3 SER 519 -1.748 -8.025 -33.860 128 HG SER 519 HG SER 519 0.118 -7.812 -35.445 129 H SER 520 H SER 520 0.950 -4.389 -34.198 130 HA SER 520 HA SER 520 3.622 -5.580 -33.535 131 HB2 SER 520 HB2 SER 520 4.481 -4.123 -35.351 132 HB3 SER 520 HB3 SER 520 3.240 -5.250 -35.923 133 HG SER 520 HG SER 520 2.924 -3.099 -36.718 134 H GLN 521 H GLN 521 1.472 -2.926 -32.807 135 HA GLN 521 HA GLN 521 3.518 -1.620 -31.125 136 HB2 GLN 521 HB2 GLN 521 2.135 -0.195 -33.443 137 HB3 GLN 521 HB3 GLN 521 3.011 0.629 -32.163 138 HG2 GLN 521 HG2 GLN 521 5.109 -0.552 -32.853 139 HG3 GLN 521 HG3 GLN 521 4.224 -1.245 -34.224 140 HE21 GLN 521 HE21 GLN 521 3.210 0.340 -35.804 141 HE22 GLN 521 HE22 GLN 521 4.052 1.865 -36.036 142 HA PRO 522 HA PRO 522 -0.060 -0.666 -28.632 143 HB2 PRO 522 HB2 PRO 522 1.176 1.973 -27.988 144 HB3 PRO 522 HB3 PRO 522 0.721 0.658 -26.883 145 HG2 PRO 522 HG2 PRO 522 3.342 1.197 -27.483 146 HG3 PRO 522 HG3 PRO 522 2.766 -0.492 -27.289 147 HD2 PRO 522 HD2 PRO 522 3.192 1.067 -29.852 148 HD3 PRO 522 HD3 PRO 522 3.702 -0.598 -29.420 149 H GLY 523 H GLY 523 -1.977 0.602 -28.604 150 HA2 GLY 523 HA2 GLY 523 -2.261 2.388 -30.979 151 HA3 GLY 523 HA3 GLY 523 -3.578 1.597 -30.108 152 HA PRO 524 HA PRO 524 -2.154 5.723 -27.886 153 HB2 PRO 524 HB2 PRO 524 -2.057 7.817 -29.692 154 HB3 PRO 524 HB3 PRO 524 -0.647 6.819 -29.250 155 HG2 PRO 524 HG2 PRO 524 -2.451 6.529 -31.666 156 HG3 PRO 524 HG3 PRO 524 -0.659 6.540 -31.615 157 HD2 PRO 524 HD2 PRO 524 -2.070 4.239 -31.695 158 HD3 PRO 524 HD3 PRO 524 -0.583 4.360 -30.711 159 H PHE 525 H PHE 525 -4.495 4.979 -30.360 160 HA PHE 525 HA PHE 525 -6.461 6.912 -29.190 161 HB2 PHE 525 HB2 PHE 525 -6.578 5.318 -31.790 162 HB3 PHE 525 HB3 PHE 525 -7.825 6.398 -31.204 163 HD1 PHE 525 HD1 PHE 525 -7.442 8.865 -31.082 164 HD2 PHE 525 HD2 PHE 525 -4.631 6.185 -32.956 165 HE1 PHE 525 HE1 PHE 525 -6.372 10.790 -32.237 166 HE2 PHE 525 HE2 PHE 525 -3.543 8.113 -34.077 167 HZ PHE 525 HZ PHE 525 -4.413 10.416 -33.722 168 H PHE 526 H PHE 526 -8.497 6.171 -28.490 169 HA PHE 526 HA PHE 526 -8.913 3.221 -28.378 170 HB2 PHE 526 HB2 PHE 526 -8.042 3.698 -26.187 171 HB3 PHE 526 HB3 PHE 526 -9.001 5.168 -26.040 172 HD1 PHE 526 HD2 PHE 526 -9.157 1.449 -25.998 173 HD2 PHE 526 HD1 PHE 526 -11.325 5.108 -25.359 174 HE1 PHE 526 HE2 PHE 526 -10.991 0.170 -24.914 175 HE2 PHE 526 HE1 PHE 526 -13.171 3.836 -24.293 176 HZ PHE 526 HZ PHE 526 -12.997 1.362 -24.058 177 H CYS 527 H CYS 527 -10.926 2.645 -28.963 178 HA CYS 527 HA CYS 527 -12.906 4.824 -29.441 179 HB2 CYS 527 HB2 CYS 527 -12.317 3.317 -31.324 180 HB3 CYS 527 HB3 CYS 527 -12.853 1.926 -30.382 181 H ARG 528 H ARG 528 -14.714 5.040 -28.241 182 HA ARG 528 HA ARG 528 -15.008 3.271 -25.901 183 HB2 ARG 528 HB2 ARG 528 -16.751 5.024 -25.246 184 HB3 ARG 528 HB3 ARG 528 -15.099 5.558 -25.409 185 HG2 ARG 528 HG2 ARG 528 -16.660 7.217 -26.250 186 HG3 ARG 528 HG3 ARG 528 -15.545 6.683 -27.496 187 HD2 ARG 528 HD2 ARG 528 -17.311 5.312 -28.521 188 HD3 ARG 528 HD3 ARG 528 -18.443 5.761 -27.225 189 HE ARG 528 HE ARG 528 -17.616 8.171 -28.284 190 HH11 ARG 528 HH11 ARG 528 -19.164 5.315 -29.730 191 HH12 ARG 528 HH12 ARG 528 -19.851 6.245 -31.020 192 HH21 ARG 528 HH21 ARG 528 -18.633 9.299 -29.961 193 HH22 ARG 528 HH22 ARG 528 -19.476 8.425 -31.210 194 H ASP 529 H ASP 529 -16.264 3.106 -29.013 195 HA ASP 529 HA ASP 529 -19.061 2.616 -28.438 196 HB2 ASP 529 HB2 ASP 529 -17.965 3.310 -30.692 197 HB3 ASP 529 HB3 ASP 529 -17.564 1.585 -30.871 198 H GLN 530 H GLN 530 -20.206 0.636 -28.436 199 HA GLN 530 HA GLN 530 -18.920 -1.552 -27.096 200 HB2 GLN 530 HB2 GLN 530 -21.319 -1.005 -26.870 201 HB3 GLN 530 HB3 GLN 530 -21.591 -1.397 -28.565 202 HG2 GLN 530 HG2 GLN 530 -22.389 -3.176 -27.096 203 HG3 GLN 530 HG3 GLN 530 -21.111 -3.768 -28.138 204 HE21 GLN 530 HE21 GLN 530 -18.935 -4.121 -27.147 205 HE22 GLN 530 HE22 GLN 530 -18.845 -4.418 -25.406 206 H VAL 531 H VAL 531 -19.435 -0.782 -30.524 207 HA VAL 531 HA VAL 531 -19.056 -3.455 -31.593 208 HB VAL 531 HB VAL 531 -18.664 -0.665 -32.698 209 HG11 VAL 531 HG11 VAL 531 -17.094 -1.882 -33.980 210 HG12 VAL 531 HG12 VAL 531 -18.222 -3.254 -34.203 211 HG13 VAL 531 HG13 VAL 531 -18.539 -1.690 -34.979 212 HG21 VAL 531 HG21 VAL 531 -20.707 -2.795 -33.437 213 HG22 VAL 531 HG22 VAL 531 -21.023 -1.380 -32.406 214 HG23 VAL 531 HG23 VAL 531 -20.587 -1.155 -34.116 215 H CYS 532 H CYS 532 -16.825 -0.854 -30.610 216 HA CYS 532 HA CYS 532 -14.492 -2.494 -31.504 217 HB2 CYS 532 HB2 CYS 532 -14.785 0.456 -30.832 218 HB3 CYS 532 HB3 CYS 532 -13.242 -0.318 -31.229 219 H PHE 533 H PHE 533 -14.525 0.052 -28.994 220 HA PHE 533 HA PHE 533 -13.831 0.066 -26.799 221 HB2 PHE 533 HB2 PHE 533 -15.820 -1.710 -26.848 222 HB3 PHE 533 HB3 PHE 533 -14.556 -2.852 -26.445 223 HD1 PHE 533 HD2 PHE 533 -15.683 0.646 -25.471 224 HD2 PHE 533 HD1 PHE 533 -14.266 -3.207 -24.113 225 HE1 PHE 533 HE2 PHE 533 -15.941 1.374 -23.120 226 HE2 PHE 533 HE1 PHE 533 -14.513 -2.458 -21.760 227 HZ PHE 533 HZ PHE 533 -15.353 -0.169 -21.258 228 H LYS 534 H LYS 534 -11.821 -0.469 -28.762 229 HA LYS 534 HA LYS 534 -9.841 -1.946 -27.090 230 HB2 LYS 534 HB2 LYS 534 -10.440 -2.499 -30.035 231 HB3 LYS 534 HB3 LYS 534 -8.950 -3.017 -29.242 232 HG2 LYS 534 HG2 LYS 534 -10.235 -4.348 -27.608 233 HG3 LYS 534 HG3 LYS 534 -11.741 -3.894 -28.423 234 HD2 LYS 534 HD2 LYS 534 -10.917 -4.927 -30.522 235 HD3 LYS 534 HD3 LYS 534 -9.431 -5.422 -29.678 236 HE2 LYS 534 HE2 LYS 534 -10.790 -6.756 -28.082 237 HE3 LYS 534 HE3 LYS 534 -12.266 -6.264 -28.925 238 HZ1 LYS 534 HZ1 LYS 534 -11.508 -8.442 -29.670 239 HZ2 LYS 534 HZ2 LYS 534 -10.060 -7.844 -30.134 240 HZ3 LYS 534 HZ3 LYS 534 -11.422 -7.388 -30.916 241 H TYR 535 H TYR 535 -7.561 -1.705 -28.258 242 HA TYR 535 HA TYR 535 -7.145 1.208 -28.593 243 HB2 TYR 535 HB2 TYR 535 -5.379 -1.187 -28.013 244 HB3 TYR 535 HB3 TYR 535 -4.667 0.276 -28.655 245 HD1 TYR 535 HD1 TYR 535 -7.460 -0.018 -26.112 246 HD2 TYR 535 HD2 TYR 535 -3.375 1.088 -26.902 247 HE1 TYR 535 HE1 TYR 535 -7.379 1.173 -23.963 248 HE2 TYR 535 HE2 TYR 535 -3.240 2.217 -24.722 249 HH TYR 535 HH TYR 535 -6.120 2.413 -22.529 250 H PHE 536 H PHE 536 -6.259 2.204 -30.398 251 HA PHE 536 HA PHE 536 -5.669 0.519 -32.789 252 HB2 PHE 536 HB2 PHE 536 -7.587 2.872 -32.721 253 HB3 PHE 536 HB3 PHE 536 -7.034 2.092 -34.184 254 HD1 PHE 536 HD2 PHE 536 -9.200 1.758 -31.212 255 HD2 PHE 536 HD1 PHE 536 -7.982 -0.019 -34.944 256 HE1 PHE 536 HE2 PHE 536 -11.142 0.233 -31.116 257 HE2 PHE 536 HE1 PHE 536 -9.956 -1.520 -34.871 258 HZ PHE 536 HZ PHE 536 -11.547 -1.400 -32.958 259 H CYS 537 H CYS 537 -4.352 1.513 -34.361 260 HA CYS 537 HA CYS 537 -2.876 3.947 -33.485 261 HB2 CYS 537 HB2 CYS 537 -2.312 2.307 -35.977 262 HB3 CYS 537 HB3 CYS 537 -1.232 3.382 -35.098 263 H ARG 538 H ARG 538 -2.341 5.484 -35.449 264 HA ARG 538 HA ARG 538 -4.724 6.767 -36.231 265 HB2 ARG 538 HB2 ARG 538 -3.252 7.862 -38.019 266 HB3 ARG 538 HB3 ARG 538 -2.791 8.078 -36.351 267 HG2 ARG 538 HG2 ARG 538 -0.803 7.031 -36.554 268 HG3 ARG 538 HG3 ARG 538 -1.387 5.788 -37.654 269 HD2 ARG 538 HD2 ARG 538 -0.923 8.672 -38.499 270 HD3 ARG 538 HD3 ARG 538 0.290 7.395 -38.635 271 HE ARG 538 HE ARG 538 -1.336 6.116 -40.049 272 HH11 ARG 538 HH11 ARG 538 -1.602 9.654 -40.084 273 HH12 ARG 538 HH12 ARG 538 -2.377 9.641 -41.640 274 HH21 ARG 538 HH21 ARG 538 -2.295 6.168 -41.951 275 HH22 ARG 538 HH22 ARG 538 -2.763 7.672 -42.710 276 H SER 539 H SER 539 -2.665 4.592 -38.272 277 HA SER 539 HA SER 539 -4.441 4.707 -40.546 278 HB2 SER 539 HB2 SER 539 -2.314 2.637 -39.838 279 HB3 SER 539 HB3 SER 539 -3.053 2.874 -41.433 280 HG SER 539 HG SER 539 -1.015 3.938 -41.225 281 H CYS 540 H CYS 540 -4.086 2.427 -37.807 282 HA CYS 540 HA CYS 540 -5.873 0.408 -38.825 283 HB2 CYS 540 HB2 CYS 540 -5.268 1.080 -35.929 284 HB3 CYS 540 HB3 CYS 540 -5.840 -0.460 -36.547 285 H TRP 541 H TRP 541 -6.337 3.336 -36.835 286 HA TRP 541 HA TRP 541 -9.089 2.891 -36.171 287 HB2 TRP 541 HB2 TRP 541 -7.667 4.523 -34.999 288 HB3 TRP 541 HB3 TRP 541 -7.450 5.453 -36.470 289 HD1 TRP 541 HD1 TRP 541 -9.641 6.744 -37.417 290 HE1 TRP 541 HE1 TRP 541 -11.760 7.640 -36.254 291 HE3 TRP 541 HE3 TRP 541 -8.995 4.594 -32.838 292 HZ2 TRP 541 HZ2 TRP 541 -13.169 7.143 -33.745 293 HZ3 TRP 541 HZ3 TRP 541 -10.653 4.924 -31.049 294 HH2 TRP 541 HH2 TRP 541 -12.787 6.119 -31.506 295 H HIS 542 H HIS 542 -7.495 4.747 -38.823 296 HA HIS 542 HA HIS 542 -9.864 5.636 -40.112 297 HB2 HIS 542 HB2 HIS 542 -7.122 4.943 -41.256 298 HB3 HIS 542 HB3 HIS 542 -8.394 5.770 -42.151 299 HD2 HIS 542 HD2 HIS 542 -5.526 7.088 -41.561 300 HE1 HIS 542 HE1 HIS 542 -7.700 9.758 -39.058 301 HE2 HIS 542 HE2 HIS 542 -5.514 9.407 -40.318 302 H TRP 543 H TRP 543 -8.013 2.568 -40.443 303 HA TRP 543 HA TRP 543 -9.537 1.494 -42.624 304 HB2 TRP 543 HB2 TRP 543 -7.360 0.600 -41.997 305 HB3 TRP 543 HB3 TRP 543 -7.936 0.163 -40.399 306 HD1 TRP 543 HD1 TRP 543 -8.128 -0.945 -44.039 307 HE1 TRP 543 HE1 TRP 543 -8.956 -3.369 -44.174 308 HE3 TRP 543 HE3 TRP 543 -9.344 -1.666 -39.108 309 HZ2 TRP 543 HZ2 TRP 543 -10.036 -5.358 -42.381 310 HZ3 TRP 543 HZ3 TRP 543 -10.322 -3.820 -38.367 311 HH2 TRP 543 HH2 TRP 543 -10.649 -5.678 -39.982 312 H ARG 544 H ARG 544 -9.867 1.133 -39.040 313 HA ARG 544 HA ARG 544 -11.997 -0.773 -39.153 314 HB2 ARG 544 HB2 ARG 544 -10.588 -0.421 -37.165 315 HB3 ARG 544 HB3 ARG 544 -11.221 1.211 -36.959 316 HG2 ARG 544 HG2 ARG 544 -12.235 -0.388 -35.387 317 HG3 ARG 544 HG3 ARG 544 -13.451 0.339 -36.426 318 HD2 ARG 544 HD2 ARG 544 -13.601 -1.669 -37.784 319 HD3 ARG 544 HD3 ARG 544 -12.207 -2.392 -36.953 320 HE ARG 544 HE ARG 544 -14.070 -1.837 -34.953 321 HH11 ARG 544 HH21 ARG 544 -14.155 -3.811 -37.885 322 HH12 ARG 544 HH22 ARG 544 -15.147 -5.033 -37.152 323 HH21 ARG 544 HH11 ARG 544 -15.359 -3.482 -34.054 324 HH22 ARG 544 HH12 ARG 544 -15.831 -4.831 -35.033 325 H HIS 545 H HIS 545 -12.061 2.790 -38.643 326 HA HIS 545 HA HIS 545 -14.974 2.749 -38.389 327 HB2 HIS 545 HB2 HIS 545 -12.978 5.068 -38.435 328 HB3 HIS 545 HB3 HIS 545 -14.692 5.184 -37.983 329 HD1 HIS 545 HD1 HIS 545 -11.379 4.166 -36.496 330 HD2 HIS 545 HD2 HIS 545 -15.451 3.410 -35.896 331 HE1 HIS 545 HE1 HIS 545 -11.567 3.063 -34.200 332 H SER 546 H SER 546 -13.017 2.676 -41.111 333 HA SER 546 HA SER 546 -14.527 4.414 -42.903 334 HB2 SER 546 HB2 SER 546 -12.244 3.562 -43.418 335 HB3 SER 546 HB3 SER 546 -12.906 1.908 -43.463 336 HG SER 546 HG SER 546 -12.682 2.887 -45.568 337 H MET 547 H MET 547 -14.875 1.134 -41.607 338 HA MET 547 HA MET 547 -16.721 0.020 -43.439 339 HB2 MET 547 HB2 MET 547 -16.563 -0.359 -40.413 340 HB3 MET 547 HB3 MET 547 -17.409 -1.427 -41.538 341 HG2 MET 547 HG2 MET 547 -15.284 -1.975 -42.660 342 HG3 MET 547 HG3 MET 547 -14.412 -0.868 -41.597 343 HE1 MET 547 HE1 MET 547 -12.647 -2.568 -40.887 344 HE2 MET 547 HE2 MET 547 -13.015 -4.232 -40.385 345 HE3 MET 547 HE3 MET 547 -13.385 -3.703 -42.036 346 H GLU 548 H GLU 548 -18.886 0.177 -43.776 347 HA GLU 548 HA GLU 548 -20.280 2.520 -42.960 348 HB2 GLU 548 HB2 GLU 548 -21.367 -0.126 -44.052 349 HB3 GLU 548 HB3 GLU 548 -22.274 1.368 -43.898 350 HG2 GLU 548 HG2 GLU 548 -21.679 1.294 -46.143 351 HG3 GLU 548 HG3 GLU 548 -20.618 2.500 -45.422 352 H GLY 549 H GLY 549 -21.790 2.959 -41.384 353 HA2 GLY 549 HA2 GLY 549 -23.362 2.413 -39.690 354 HA3 GLY 549 HA3 GLY 549 -22.727 0.759 -39.626 355 H LEU 550 H LEU 550 -19.929 2.376 -39.581 356 HA LEU 550 HA LEU 550 -19.935 2.738 -36.596 357 HB2 LEU 550 HB2 LEU 550 -17.722 1.896 -38.520 358 HB3 LEU 550 HB3 LEU 550 -17.452 2.380 -36.849 359 HG LEU 550 HG LEU 550 -18.813 0.530 -36.023 360 HD11 LEU 550 HD11 LEU 550 -19.204 -1.450 -37.427 361 HD12 LEU 550 HD12 LEU 550 -18.815 -0.490 -38.882 362 HD13 LEU 550 HD13 LEU 550 -20.234 -0.106 -37.869 363 HD21 LEU 550 HD21 LEU 550 -16.368 -0.045 -37.735 364 HD22 LEU 550 HD22 LEU 550 -17.017 -1.185 -36.551 365 HD23 LEU 550 HD23 LEU 550 -16.425 0.387 -36.004 366 H ARG 551 H ARG 551 -20.437 4.692 -39.037 367 HA ARG 551 HA ARG 551 -18.233 6.541 -39.083 368 HB2 ARG 551 HB2 ARG 551 -21.180 6.913 -39.794 369 HB3 ARG 551 HB3 ARG 551 -19.901 8.084 -40.143 370 HG2 ARG 551 HG2 ARG 551 -18.712 6.375 -41.530 371 HG3 ARG 551 HG3 ARG 551 -20.018 5.226 -41.211 372 HD2 ARG 551 HD2 ARG 551 -20.397 6.170 -43.374 373 HD3 ARG 551 HD3 ARG 551 -21.638 6.795 -42.275 374 HE ARG 551 HE ARG 551 -19.338 8.554 -42.437 375 HH11 ARG 551 HH21 ARG 551 -22.253 7.704 -44.256 376 HH12 ARG 551 HH22 ARG 551 -22.324 9.255 -45.039 377 HH21 ARG 551 HH11 ARG 551 -19.496 10.534 -43.474 378 HH22 ARG 551 HH12 ARG 551 -20.780 10.828 -44.606 379 H HIS 552 H HIS 552 -20.717 5.996 -36.729 380 HA HIS 552 HA HIS 552 -20.732 8.751 -35.683 381 HB2 HIS 552 HB2 HIS 552 -22.350 7.868 -34.064 382 HB3 HIS 552 HB3 HIS 552 -22.788 7.381 -35.697 383 HD2 HIS 552 HD2 HIS 552 -21.846 5.967 -32.313 384 HE1 HIS 552 HE1 HIS 552 -21.792 2.604 -34.900 385 HE2 HIS 552 HE2 HIS 552 -21.682 3.368 -32.457 386 H HIS 553 H HIS 553 -18.460 6.345 -35.474 387 HA HIS 553 HA HIS 553 -17.972 6.288 -32.601 388 HB2 HIS 553 HB2 HIS 553 -16.320 5.414 -34.994 389 HB3 HIS 553 HB3 HIS 553 -15.816 5.179 -33.330 390 HD2 HIS 553 HD2 HIS 553 -19.505 4.466 -34.198 391 HE1 HIS 553 HE1 HIS 553 -17.566 0.709 -33.763 392 HE2 HIS 553 HE2 HIS 553 -19.824 1.861 -34.058 393 H SER 554 H SER 554 -16.302 7.270 -31.424 394 HA SER 554 HA SER 554 -14.536 9.226 -32.761 395 HB2 SER 554 HB2 SER 554 -16.660 10.461 -32.213 396 HB3 SER 554 HB3 SER 554 -16.408 10.064 -30.506 397 HG SER 554 HG SER 554 -15.622 12.170 -31.088 398 HA PRO 555 HA PRO 555 -11.953 7.599 -29.527 399 HB2 PRO 555 HB2 PRO 555 -9.743 9.186 -29.795 400 HB3 PRO 555 HB3 PRO 555 -10.229 8.010 -31.048 401 HG2 PRO 555 HG2 PRO 555 -10.765 10.992 -30.984 402 HG3 PRO 555 HG3 PRO 555 -10.155 10.001 -32.346 403 HD2 PRO 555 HD2 PRO 555 -12.792 10.710 -32.053 404 HD3 PRO 555 HD3 PRO 555 -12.287 9.182 -32.825 405 H LEU 556 H LEU 556 -11.519 7.948 -27.353 406 HA LEU 556 HA LEU 556 -12.818 10.115 -26.036 407 HB2 LEU 556 HB2 LEU 556 -10.745 8.096 -25.061 408 HB3 LEU 556 HB3 LEU 556 -11.570 9.240 -24.009 409 HG LEU 556 HG LEU 556 -12.834 6.953 -25.561 410 HD11 LEU 556 HD11 LEU 556 -13.474 6.199 -23.315 411 HD12 LEU 556 HD12 LEU 556 -12.743 7.650 -22.590 412 HD13 LEU 556 HD13 LEU 556 -11.718 6.441 -23.393 413 HD21 LEU 556 HD21 LEU 556 -14.406 8.664 -25.834 414 HD22 LEU 556 HD22 LEU 556 -14.085 9.376 -24.231 415 HD23 LEU 556 HD23 LEU 556 -14.978 7.829 -24.376 416 H MET 557 H MET 557 -11.901 11.712 -24.602 417 HA MET 557 HA MET 557 -9.824 13.276 -25.885 418 HB2 MET 557 HB2 MET 557 -11.191 13.533 -23.164 419 HB3 MET 557 HB3 MET 557 -10.066 14.723 -23.826 420 HG2 MET 557 HG2 MET 557 -12.691 13.891 -25.128 421 HG3 MET 557 HG3 MET 557 -12.432 15.346 -24.174 422 HE1 MET 557 HE1 MET 557 -13.721 15.268 -27.082 423 HE2 MET 557 HE2 MET 557 -13.519 16.747 -26.115 424 HE3 MET 557 HE3 MET 557 -12.965 16.704 -27.801 425 H ARG 558 H ARG 558 -7.690 13.007 -25.738 426 HA ARG 558 HA ARG 558 -6.549 11.173 -23.761 427 HB2 ARG 558 HB2 ARG 558 -4.435 11.589 -24.971 428 HB3 ARG 558 HB3 ARG 558 -5.748 11.128 -26.048 429 HG2 ARG 558 HG2 ARG 558 -6.021 13.504 -26.757 430 HG3 ARG 558 HG3 ARG 558 -4.742 13.988 -25.636 431 HD2 ARG 558 HD2 ARG 558 -3.848 13.876 -27.872 432 HD3 ARG 558 HD3 ARG 558 -3.113 12.644 -26.855 433 HE ARG 558 HE ARG 558 -5.188 12.209 -28.972 434 HH11 ARG 558 HH11 ARG 558 -2.453 10.795 -27.204 435 HH12 ARG 558 HH12 ARG 558 -2.938 9.172 -27.615 436 HH21 ARG 558 HH21 ARG 558 -5.545 10.123 -29.683 437 HH22 ARG 558 HH22 ARG 558 -4.604 8.810 -29.022 438 H ASN 559 H ASN 559 -4.946 11.661 -22.222 439 HA ASN 559 HA ASN 559 -4.938 14.472 -21.236 440 HB2 ASN 559 HB2 ASN 559 -3.995 13.569 -19.194 441 HB3 ASN 559 HB3 ASN 559 -5.389 12.596 -19.630 442 HD21 ASN 559 HD21 ASN 559 -1.872 12.578 -19.157 443 HD22 ASN 559 HD22 ASN 559 -1.702 10.852 -19.410 444 H GLN 560 H GLN 560 -2.749 15.269 -20.410 445 HA GLN 560 HA GLN 560 -0.650 14.725 -22.460 446 HB2 GLN 560 HB2 GLN 560 -0.919 16.927 -20.356 447 HB3 GLN 560 HB3 GLN 560 0.436 16.746 -21.477 448 HG2 GLN 560 HG2 GLN 560 -1.139 16.953 -23.409 449 HG3 GLN 560 HG3 GLN 560 -2.461 17.258 -22.275 450 HE21 GLN 560 HE21 GLN 560 -1.890 19.177 -20.603 451 HE22 GLN 560 HE22 GLN 560 -1.156 20.568 -21.385 452 H LYS 561 H LYS 561 1.483 14.171 -21.871 453 HA LYS 561 HA LYS 561 1.671 12.472 -19.500 454 HB2 LYS 561 HB2 LYS 561 2.742 11.829 -21.615 455 HB3 LYS 561 HB3 LYS 561 3.696 13.301 -21.628 456 HG2 LYS 561 HG2 LYS 561 5.071 11.421 -21.004 457 HG3 LYS 561 HG3 LYS 561 4.970 12.558 -19.668 458 HD2 LYS 561 HD2 LYS 561 3.272 11.066 -18.561 459 HD3 LYS 561 HD3 LYS 561 3.428 9.933 -19.923 460 HE2 LYS 561 HE2 LYS 561 5.865 9.711 -19.426 461 HE3 LYS 561 HE3 LYS 561 5.689 10.837 -18.072 462 HZ1 LYS 561 HZ1 LYS 561 5.626 8.532 -17.326 463 HZ2 LYS 561 HZ2 LYS 561 4.344 8.195 -18.279 464 HZ3 LYS 561 HZ3 LYS 561 4.184 9.234 -17.023 465 H ASN 562 H ASN 562 2.323 13.064 -17.515 466 HA ASN 562 HA ASN 562 3.238 15.761 -16.943 467 HB2 ASN 562 HB2 ASN 562 3.094 13.248 -15.213 468 HB3 ASN 562 HB3 ASN 562 3.491 14.853 -14.604 469 HD21 ASN 562 HD21 ASN 562 0.930 12.722 -14.888 470 HD22 ASN 562 HD22 ASN 562 -0.373 13.896 -14.856 471 H ARG 563 H ARG 563 5.272 16.424 -16.108 472 HA ARG 563 HA ARG 563 7.552 14.544 -16.624 473 HB2 ARG 563 HB2 ARG 563 7.242 16.317 -18.411 474 HB3 ARG 563 HB3 ARG 563 7.506 17.541 -17.182 475 HG2 ARG 563 HG2 ARG 563 9.540 17.219 -18.447 476 HG3 ARG 563 HG3 ARG 563 9.806 16.677 -16.797 477 HD2 ARG 563 HD2 ARG 563 10.861 15.142 -18.350 478 HD3 ARG 563 HD3 ARG 563 9.533 14.314 -17.531 479 HE ARG 563 HE ARG 563 8.777 15.535 -20.078 480 HH11 ARG 563 HH11 ARG 563 10.193 12.594 -18.710 481 HH12 ARG 563 HH12 ARG 563 9.735 11.629 -20.081 482 HH21 ARG 563 HH21 ARG 563 8.226 14.235 -21.815 483 HH22 ARG 563 HH22 ARG 563 8.643 12.550 -21.814 484 H ASP 564 H ASP 564 9.185 14.523 -15.129 485 HA ASP 564 HA ASP 564 9.401 16.615 -13.071 486 HB2 ASP 564 HB2 ASP 564 7.627 15.227 -12.103 487 HB3 ASP 564 HB3 ASP 564 8.560 13.762 -12.403 488 H SER 565 H SER 565 11.436 16.703 -12.167 489 HA SER 565 HA SER 565 13.495 14.946 -13.387 490 HB2 SER 565 HB2 SER 565 13.713 17.406 -11.592 491 HB3 SER 565 HB3 SER 565 15.083 16.531 -12.289 492 HG SER 565 HG SER 565 12.999 17.828 -13.771 493 H SER 566 H SER 566 11.906 15.529 -10.264 494 HA SER 566 HA SER 566 12.866 13.042 -9.155 495 HB2 SER 566 HB2 SER 566 14.971 14.388 -8.882 496 HB3 SER 566 HB3 SER 566 14.067 15.578 -7.940 497 HG SER 566 HG SER 566 15.167 14.017 -6.621 Start of MODEL 4 1 H1 GLY 502 H1 GLY 502 5.101 -10.860 -0.334 2 H2 GLY 502 H2 GLY 502 5.899 -12.235 -0.055 3 H3 GLY 502 H3 GLY 502 4.824 -12.141 -1.261 4 HA2 GLY 502 HA2 GLY 502 7.450 -10.764 -1.227 5 HA3 GLY 502 HA3 GLY 502 7.078 -12.232 -2.154 6 HA PRO 503 HA PRO 503 6.115 -8.310 -4.645 7 HB2 PRO 503 HB2 PRO 503 8.192 -8.330 -6.437 8 HB3 PRO 503 HB3 PRO 503 8.341 -7.631 -4.799 9 HG2 PRO 503 HG2 PRO 503 9.178 -10.401 -5.723 10 HG3 PRO 503 HG3 PRO 503 10.141 -9.208 -4.793 11 HD2 PRO 503 HD2 PRO 503 8.777 -11.248 -3.586 12 HD3 PRO 503 HD3 PRO 503 8.937 -9.638 -2.814 13 H VAL 504 H VAL 504 5.417 -8.214 -6.918 14 HA VAL 504 HA VAL 504 5.319 -10.815 -8.377 15 HB VAL 504 HB VAL 504 2.881 -10.523 -8.797 16 HG11 VAL 504 HG11 VAL 504 3.673 -12.113 -7.077 17 HG12 VAL 504 HG12 VAL 504 3.455 -10.859 -5.832 18 HG13 VAL 504 HG13 VAL 504 2.059 -11.467 -6.739 19 HG21 VAL 504 HG21 VAL 504 1.473 -9.131 -7.357 20 HG22 VAL 504 HG22 VAL 504 2.899 -8.450 -6.557 21 HG23 VAL 504 HG23 VAL 504 2.592 -8.121 -8.277 22 H GLN 505 H GLN 505 4.675 -10.581 -10.631 23 HA GLN 505 HA GLN 505 5.700 -8.106 -11.805 24 HB2 GLN 505 HB2 GLN 505 6.134 -10.378 -12.756 25 HB3 GLN 505 HB3 GLN 505 4.418 -10.552 -13.110 26 HG2 GLN 505 HG2 GLN 505 5.728 -9.965 -15.108 27 HG3 GLN 505 HG3 GLN 505 4.532 -8.736 -14.753 28 HE21 GLN 505 HE21 GLN 505 7.998 -9.399 -15.013 29 HE22 GLN 505 HE22 GLN 505 8.497 -7.740 -14.719 30 H ILE 506 H ILE 506 4.556 -6.621 -13.110 31 HA ILE 506 HA ILE 506 1.655 -6.409 -12.422 32 HB ILE 506 HB ILE 506 1.884 -4.089 -13.294 33 HG12 ILE 506 HG12 ILE 506 4.881 -4.625 -13.514 34 HG13 ILE 506 HG13 ILE 506 3.785 -4.472 -14.890 35 HG21 ILE 506 HG21 ILE 506 2.177 -4.710 -10.893 36 HG22 ILE 506 HG22 ILE 506 3.936 -4.758 -11.142 37 HG23 ILE 506 HG23 ILE 506 3.037 -3.238 -11.340 38 HD11 ILE 506 HD11 ILE 506 4.452 -2.292 -12.879 39 HD12 ILE 506 HD12 ILE 506 4.923 -2.381 -14.581 40 HD13 ILE 506 HD13 ILE 506 3.216 -2.152 -14.155 41 H ASP 507 H ASP 507 0.092 -5.799 -14.061 42 HA ASP 507 HA ASP 507 0.790 -6.205 -16.891 43 HB2 ASP 507 HB2 ASP 507 0.458 -8.525 -16.029 44 HB3 ASP 507 HB3 ASP 507 -1.139 -8.078 -15.448 45 HA PRO 508 HA PRO 508 -2.460 -3.139 -16.842 46 HB2 PRO 508 HB2 PRO 508 -2.516 -2.514 -19.511 47 HB3 PRO 508 HB3 PRO 508 -1.149 -2.080 -18.444 48 HG2 PRO 508 HG2 PRO 508 -1.364 -4.464 -20.308 49 HG3 PRO 508 HG3 PRO 508 -0.010 -3.301 -20.153 50 HD2 PRO 508 HD2 PRO 508 -0.016 -5.716 -18.885 51 HD3 PRO 508 HD3 PRO 508 0.712 -4.264 -18.130 52 H TYR 509 H TYR 509 -4.671 -2.955 -17.273 53 HA TYR 509 HA TYR 509 -5.951 -5.391 -18.416 54 HB2 TYR 509 HB2 TYR 509 -7.087 -3.232 -16.615 55 HB3 TYR 509 HB3 TYR 509 -7.965 -4.641 -17.192 56 HD1 TYR 509 HD2 TYR 509 -7.346 -6.939 -16.403 57 HD2 TYR 509 HD1 TYR 509 -5.534 -3.390 -14.756 58 HE1 TYR 509 HE2 TYR 509 -6.547 -8.257 -14.444 59 HE2 TYR 509 HE1 TYR 509 -4.735 -4.698 -12.799 60 HH TYR 509 HH TYR 509 -4.656 -6.762 -11.781 61 H LEU 510 H LEU 510 -5.878 -1.862 -18.581 62 HA LEU 510 HA LEU 510 -6.811 -1.893 -21.351 63 HB2 LEU 510 HB2 LEU 510 -8.843 -0.760 -21.131 64 HB3 LEU 510 HB3 LEU 510 -8.979 -2.112 -20.039 65 HG LEU 510 HG LEU 510 -8.352 0.749 -19.142 66 HD11 LEU 510 HD11 LEU 510 -10.726 0.882 -18.539 67 HD12 LEU 510 HD12 LEU 510 -11.008 -0.726 -19.247 68 HD13 LEU 510 HD13 LEU 510 -10.509 0.636 -20.280 69 HD21 LEU 510 HD21 LEU 510 -9.218 -1.722 -17.575 70 HD22 LEU 510 HD22 LEU 510 -9.153 -0.069 -16.924 71 HD23 LEU 510 HD23 LEU 510 -7.665 -0.860 -17.441 72 H GLU 511 H GLU 511 -4.975 -0.582 -18.915 73 HA GLU 511 HA GLU 511 -5.074 2.231 -19.827 74 HB2 GLU 511 HB2 GLU 511 -3.358 2.588 -18.093 75 HB3 GLU 511 HB3 GLU 511 -4.805 1.850 -17.451 76 HG2 GLU 511 HG2 GLU 511 -2.515 0.025 -18.204 77 HG3 GLU 511 HG3 GLU 511 -2.344 1.052 -16.787 78 H ASP 512 H ASP 512 -3.632 -0.555 -21.012 79 HA ASP 512 HA ASP 512 -1.886 0.918 -22.792 80 HB2 ASP 512 HB2 ASP 512 -0.401 0.852 -20.782 81 HB3 ASP 512 HB3 ASP 512 -0.565 -0.892 -20.705 82 H SER 513 H SER 513 -3.639 -0.299 -23.990 83 HA SER 513 HA SER 513 -3.249 -3.229 -24.136 84 HB2 SER 513 HB2 SER 513 -5.339 -1.424 -25.402 85 HB3 SER 513 HB3 SER 513 -5.330 -3.187 -25.473 86 HG SER 513 HG SER 513 -6.691 -2.466 -23.801 87 H LEU 514 H LEU 514 -2.896 -4.385 -26.071 88 HA LEU 514 HA LEU 514 -1.210 -3.084 -28.062 89 HB2 LEU 514 HB2 LEU 514 -0.963 -5.469 -27.271 90 HB3 LEU 514 HB3 LEU 514 -2.498 -5.843 -28.042 91 HG LEU 514 HG LEU 514 -1.453 -5.227 -30.264 92 HD11 LEU 514 HD11 LEU 514 1.148 -5.270 -28.663 93 HD12 LEU 514 HD12 LEU 514 0.421 -3.823 -29.380 94 HD13 LEU 514 HD13 LEU 514 0.993 -5.124 -30.428 95 HD21 LEU 514 HD21 LEU 514 -0.149 -7.460 -28.647 96 HD22 LEU 514 HD22 LEU 514 -0.184 -7.354 -30.417 97 HD23 LEU 514 HD23 LEU 514 -1.695 -7.557 -29.520 98 H CYS 515 H CYS 515 -1.699 -2.575 -30.214 99 HA CYS 515 HA CYS 515 -4.356 -1.748 -30.842 100 HB2 CYS 515 HB2 CYS 515 -2.354 -0.807 -31.920 101 HB3 CYS 515 HB3 CYS 515 -2.011 -2.367 -32.676 102 H HIS 516 H HIS 516 -6.056 -2.679 -31.886 103 HA HIS 516 HA HIS 516 -6.223 -5.543 -31.856 104 HB2 HIS 516 HB2 HIS 516 -8.117 -4.002 -31.435 105 HB3 HIS 516 HB3 HIS 516 -8.068 -3.467 -33.110 106 HD2 HIS 516 HD2 HIS 516 -8.147 -7.090 -31.608 107 HE1 HIS 516 HE1 HIS 516 -11.448 -6.705 -34.261 108 HE2 HIS 516 HE2 HIS 516 -10.198 -8.298 -32.721 109 H ILE 517 H ILE 517 -5.534 -3.223 -34.465 110 HA ILE 517 HA ILE 517 -6.168 -5.145 -36.591 111 HB ILE 517 HB ILE 517 -4.939 -2.354 -36.690 112 HG12 ILE 517 HG12 ILE 517 -7.139 -2.167 -35.797 113 HG13 ILE 517 HG13 ILE 517 -7.197 -1.643 -37.470 114 HG21 ILE 517 HG21 ILE 517 -5.980 -4.102 -38.955 115 HG22 ILE 517 HG22 ILE 517 -5.655 -2.360 -39.094 116 HG23 ILE 517 HG23 ILE 517 -4.333 -3.470 -38.742 117 HD11 ILE 517 HD11 ILE 517 -9.167 -2.917 -37.046 118 HD12 ILE 517 HD12 ILE 517 -8.132 -3.946 -38.053 119 HD13 ILE 517 HD13 ILE 517 -8.261 -4.245 -36.305 120 H CYS 518 H CYS 518 -3.154 -3.229 -35.967 121 HA CYS 518 HA CYS 518 -1.642 -5.042 -37.670 122 HB2 CYS 518 HB2 CYS 518 0.252 -3.564 -37.145 123 HB3 CYS 518 HB3 CYS 518 -1.160 -2.680 -37.699 124 H SER 519 H SER 519 -2.174 -4.751 -34.202 125 HA SER 519 HA SER 519 -1.403 -5.975 -32.387 126 HB2 SER 519 HB2 SER 519 -0.821 -8.088 -34.523 127 HB3 SER 519 HB3 SER 519 -0.995 -8.370 -32.789 128 HG SER 519 HG SER 519 -2.935 -8.816 -33.966 129 H SER 520 H SER 520 0.636 -4.327 -34.004 130 HA SER 520 HA SER 520 3.145 -5.779 -33.204 131 HB2 SER 520 HB2 SER 520 2.692 -3.606 -35.300 132 HB3 SER 520 HB3 SER 520 4.257 -4.332 -34.905 133 HG SER 520 HG SER 520 1.980 -5.792 -35.850 134 H GLN 521 H GLN 521 1.121 -3.247 -32.230 135 HA GLN 521 HA GLN 521 3.025 -2.176 -30.338 136 HB2 GLN 521 HB2 GLN 521 3.097 0.150 -31.225 137 HB3 GLN 521 HB3 GLN 521 3.895 -0.952 -32.312 138 HG2 GLN 521 HG2 GLN 521 2.160 -0.802 -33.932 139 HG3 GLN 521 HG3 GLN 521 0.987 -0.177 -32.775 140 HE21 GLN 521 HE21 GLN 521 1.368 2.053 -31.844 141 HE22 GLN 521 HE22 GLN 521 2.169 3.208 -32.903 142 HA PRO 522 HA PRO 522 -0.890 -0.821 -28.599 143 HB2 PRO 522 HB2 PRO 522 -0.117 1.167 -26.889 144 HB3 PRO 522 HB3 PRO 522 0.296 -0.549 -26.608 145 HG2 PRO 522 HG2 PRO 522 2.034 1.599 -27.862 146 HG3 PRO 522 HG3 PRO 522 2.468 0.443 -26.563 147 HD2 PRO 522 HD2 PRO 522 3.094 0.011 -29.175 148 HD3 PRO 522 HD3 PRO 522 2.667 -1.336 -28.083 149 H GLY 523 H GLY 523 -2.478 0.815 -28.861 150 HA2 GLY 523 HA2 GLY 523 -1.777 2.854 -30.922 151 HA3 GLY 523 HA3 GLY 523 -3.403 2.270 -30.538 152 HA PRO 524 HA PRO 524 -2.187 6.102 -27.882 153 HB2 PRO 524 HB2 PRO 524 -2.286 8.283 -29.534 154 HB3 PRO 524 HB3 PRO 524 -0.810 7.291 -29.341 155 HG2 PRO 524 HG2 PRO 524 -2.889 7.123 -31.541 156 HG3 PRO 524 HG3 PRO 524 -1.108 7.199 -31.711 157 HD2 PRO 524 HD2 PRO 524 -2.518 4.847 -31.750 158 HD3 PRO 524 HD3 PRO 524 -0.861 4.947 -31.072 159 H PHE 525 H PHE 525 -4.575 5.372 -30.341 160 HA PHE 525 HA PHE 525 -6.589 7.160 -29.048 161 HB2 PHE 525 HB2 PHE 525 -6.789 5.632 -31.672 162 HB3 PHE 525 HB3 PHE 525 -7.910 6.843 -31.067 163 HD1 PHE 525 HD1 PHE 525 -6.597 9.180 -30.384 164 HD2 PHE 525 HD2 PHE 525 -5.371 6.347 -33.394 165 HE1 PHE 525 HE1 PHE 525 -5.244 10.944 -31.494 166 HE2 PHE 525 HE2 PHE 525 -4.019 8.115 -34.498 167 HZ PHE 525 HZ PHE 525 -3.957 10.413 -33.555 168 H PHE 526 H PHE 526 -8.426 6.362 -28.115 169 HA PHE 526 HA PHE 526 -8.784 3.385 -28.108 170 HB2 PHE 526 HB2 PHE 526 -8.038 4.026 -25.903 171 HB3 PHE 526 HB3 PHE 526 -9.130 5.404 -25.857 172 HD1 PHE 526 HD1 PHE 526 -9.097 1.656 -25.969 173 HD2 PHE 526 HD2 PHE 526 -11.306 5.189 -24.929 174 HE1 PHE 526 HE1 PHE 526 -10.836 0.243 -24.899 175 HE2 PHE 526 HE2 PHE 526 -13.066 3.783 -23.880 176 HZ PHE 526 HZ PHE 526 -12.823 1.307 -23.852 177 H CYS 527 H CYS 527 -10.753 2.651 -28.699 178 HA CYS 527 HA CYS 527 -12.851 4.684 -29.326 179 HB2 CYS 527 HB2 CYS 527 -12.123 3.099 -31.118 180 HB3 CYS 527 HB3 CYS 527 -12.655 1.745 -30.119 181 H ARG 528 H ARG 528 -14.636 4.877 -28.095 182 HA ARG 528 HA ARG 528 -14.904 3.081 -25.757 183 HB2 ARG 528 HB2 ARG 528 -16.678 4.846 -25.111 184 HB3 ARG 528 HB3 ARG 528 -15.005 5.307 -25.142 185 HG2 ARG 528 HG2 ARG 528 -16.501 7.062 -25.983 186 HG3 ARG 528 HG3 ARG 528 -15.246 6.615 -27.118 187 HD2 ARG 528 HD2 ARG 528 -17.348 7.087 -28.247 188 HD3 ARG 528 HD3 ARG 528 -16.838 5.421 -28.515 189 HE ARG 528 HE ARG 528 -18.680 5.702 -26.271 190 HH11 ARG 528 HH22 ARG 528 -18.651 5.494 -29.801 191 HH12 ARG 528 HH21 ARG 528 -20.072 4.492 -29.852 192 HH21 ARG 528 HH11 ARG 528 -20.664 4.631 -26.429 193 HH22 ARG 528 HH12 ARG 528 -21.312 4.239 -27.995 194 H ASP 529 H ASP 529 -16.119 2.912 -28.856 195 HA ASP 529 HA ASP 529 -18.932 2.458 -28.332 196 HB2 ASP 529 HB2 ASP 529 -17.790 3.103 -30.578 197 HB3 ASP 529 HB3 ASP 529 -17.400 1.374 -30.715 198 H GLN 530 H GLN 530 -20.096 0.472 -28.410 199 HA GLN 530 HA GLN 530 -18.884 -1.698 -26.963 200 HB2 GLN 530 HB2 GLN 530 -21.309 -1.063 -26.921 201 HB3 GLN 530 HB3 GLN 530 -21.480 -1.660 -28.576 202 HG2 GLN 530 HG2 GLN 530 -20.941 -3.947 -27.827 203 HG3 GLN 530 HG3 GLN 530 -20.583 -3.358 -26.198 204 HE21 GLN 530 HE21 GLN 530 -23.291 -3.521 -28.624 205 HE22 GLN 530 HE22 GLN 530 -24.535 -3.653 -27.392 206 H VAL 531 H VAL 531 -19.280 -0.988 -30.428 207 HA VAL 531 HA VAL 531 -18.885 -3.686 -31.422 208 HB VAL 531 HB VAL 531 -18.381 -0.942 -32.619 209 HG11 VAL 531 HG11 VAL 531 -18.158 -3.634 -34.007 210 HG12 VAL 531 HG12 VAL 531 -18.336 -2.085 -34.852 211 HG13 VAL 531 HG13 VAL 531 -16.905 -2.372 -33.858 212 HG21 VAL 531 HG21 VAL 531 -20.788 -1.515 -32.273 213 HG22 VAL 531 HG22 VAL 531 -20.348 -1.351 -33.986 214 HG23 VAL 531 HG23 VAL 531 -20.559 -2.966 -33.270 215 H CYS 532 H CYS 532 -16.640 -0.999 -30.640 216 HA CYS 532 HA CYS 532 -14.321 -2.695 -31.419 217 HB2 CYS 532 HB2 CYS 532 -14.584 0.266 -30.787 218 HB3 CYS 532 HB3 CYS 532 -13.060 -0.528 -31.213 219 H PHE 533 H PHE 533 -14.461 -0.114 -28.931 220 HA PHE 533 HA PHE 533 -13.753 -0.046 -26.744 221 HB2 PHE 533 HB2 PHE 533 -15.608 -1.939 -26.732 222 HB3 PHE 533 HB3 PHE 533 -14.264 -3.011 -26.393 223 HD1 PHE 533 HD1 PHE 533 -15.494 0.431 -25.317 224 HD2 PHE 533 HD2 PHE 533 -13.922 -3.404 -24.080 225 HE1 PHE 533 HE1 PHE 533 -15.693 1.105 -22.945 226 HE2 PHE 533 HE2 PHE 533 -14.109 -2.704 -21.706 227 HZ PHE 533 HZ PHE 533 -14.997 -0.453 -21.134 228 H LYS 534 H LYS 534 -11.743 -0.444 -28.749 229 HA LYS 534 HA LYS 534 -9.633 -1.815 -27.141 230 HB2 LYS 534 HB2 LYS 534 -10.240 -2.328 -30.091 231 HB3 LYS 534 HB3 LYS 534 -8.748 -2.849 -29.296 232 HG2 LYS 534 HG2 LYS 534 -9.982 -4.280 -27.750 233 HG3 LYS 534 HG3 LYS 534 -11.514 -3.722 -28.412 234 HD2 LYS 534 HD2 LYS 534 -10.740 -4.631 -30.687 235 HD3 LYS 534 HD3 LYS 534 -9.417 -5.399 -29.793 236 HE2 LYS 534 HE2 LYS 534 -11.105 -7.064 -29.961 237 HE3 LYS 534 HE3 LYS 534 -11.172 -6.476 -28.297 238 HZ1 LYS 534 HZ1 LYS 534 -13.392 -6.618 -29.189 239 HZ2 LYS 534 HZ2 LYS 534 -13.015 -5.729 -30.505 240 HZ3 LYS 534 HZ3 LYS 534 -13.060 -5.019 -29.034 241 H TYR 535 H TYR 535 -7.401 -1.435 -28.351 242 HA TYR 535 HA TYR 535 -7.165 1.499 -28.754 243 HB2 TYR 535 HB2 TYR 535 -5.195 -0.751 -28.206 244 HB3 TYR 535 HB3 TYR 535 -4.660 0.813 -28.776 245 HD1 TYR 535 HD1 TYR 535 -7.424 0.393 -26.252 246 HD2 TYR 535 HD2 TYR 535 -3.268 1.275 -26.923 247 HE1 TYR 535 HE1 TYR 535 -7.270 1.325 -23.971 248 HE2 TYR 535 HE2 TYR 535 -3.081 2.154 -24.625 249 HH TYR 535 HH TYR 535 -5.850 2.213 -22.379 250 H PHE 536 H PHE 536 -6.127 2.448 -30.571 251 HA PHE 536 HA PHE 536 -5.492 0.701 -32.887 252 HB2 PHE 536 HB2 PHE 536 -7.519 2.951 -32.995 253 HB3 PHE 536 HB3 PHE 536 -6.924 2.073 -34.384 254 HD1 PHE 536 HD1 PHE 536 -7.654 -0.213 -34.859 255 HD2 PHE 536 HD2 PHE 536 -9.205 1.971 -31.490 256 HE1 PHE 536 HE1 PHE 536 -9.463 -1.899 -34.602 257 HE2 PHE 536 HE2 PHE 536 -11.008 0.301 -31.234 258 HZ PHE 536 HZ PHE 536 -11.147 -1.648 -32.784 259 H CYS 537 H CYS 537 -4.072 1.614 -34.373 260 HA CYS 537 HA CYS 537 -2.699 4.120 -33.619 261 HB2 CYS 537 HB2 CYS 537 -2.244 2.528 -36.163 262 HB3 CYS 537 HB3 CYS 537 -1.126 3.581 -35.308 263 H ARG 538 H ARG 538 -2.214 5.613 -35.686 264 HA ARG 538 HA ARG 538 -4.620 6.949 -36.378 265 HB2 ARG 538 HB2 ARG 538 -2.325 7.941 -36.489 266 HB3 ARG 538 HB3 ARG 538 -1.956 6.931 -37.875 267 HG2 ARG 538 HG2 ARG 538 -4.163 8.168 -38.885 268 HG3 ARG 538 HG3 ARG 538 -3.742 9.353 -37.652 269 HD2 ARG 538 HD2 ARG 538 -2.714 10.020 -39.708 270 HD3 ARG 538 HD3 ARG 538 -1.411 9.437 -38.656 271 HE ARG 538 HE ARG 538 -2.279 7.224 -40.183 272 HH11 ARG 538 HH11 ARG 538 -0.737 10.322 -40.925 273 HH12 ARG 538 HH12 ARG 538 -0.003 9.694 -42.373 274 HH21 ARG 538 HH21 ARG 538 -1.307 6.482 -41.985 275 HH22 ARG 538 HH22 ARG 538 -0.331 7.535 -42.980 276 H SER 539 H SER 539 -2.581 4.907 -38.573 277 HA SER 539 HA SER 539 -4.502 4.946 -40.712 278 HB2 SER 539 HB2 SER 539 -2.274 2.930 -40.213 279 HB3 SER 539 HB3 SER 539 -3.057 3.283 -41.764 280 HG SER 539 HG SER 539 -0.968 4.343 -41.347 281 H CYS 540 H CYS 540 -3.938 2.713 -37.995 282 HA CYS 540 HA CYS 540 -5.632 0.577 -38.947 283 HB2 CYS 540 HB2 CYS 540 -4.843 1.360 -36.123 284 HB3 CYS 540 HB3 CYS 540 -5.536 -0.183 -36.579 285 H TRP 541 H TRP 541 -6.181 3.465 -36.904 286 HA TRP 541 HA TRP 541 -8.892 2.863 -36.177 287 HB2 TRP 541 HB2 TRP 541 -7.546 4.541 -34.988 288 HB3 TRP 541 HB3 TRP 541 -7.378 5.507 -36.443 289 HD1 TRP 541 HD1 TRP 541 -9.600 6.746 -37.338 290 HE1 TRP 541 HE1 TRP 541 -11.786 7.479 -36.176 291 HE3 TRP 541 HE3 TRP 541 -8.855 4.561 -32.798 292 HZ2 TRP 541 HZ2 TRP 541 -13.207 6.776 -33.707 293 HZ3 TRP 541 HZ3 TRP 541 -10.569 4.671 -31.042 294 HH2 TRP 541 HH2 TRP 541 -12.797 5.678 -31.520 295 H HIS 542 H HIS 542 -7.436 4.797 -38.839 296 HA HIS 542 HA HIS 542 -9.850 5.624 -40.077 297 HB2 HIS 542 HB2 HIS 542 -7.637 6.519 -40.668 298 HB3 HIS 542 HB3 HIS 542 -7.135 4.953 -41.305 299 HD2 HIS 542 HD2 HIS 542 -7.644 4.478 -43.810 300 HE1 HIS 542 HE1 HIS 542 -10.339 7.676 -44.602 301 HE2 HIS 542 HE2 HIS 542 -9.038 5.749 -45.644 302 H TRP 543 H TRP 543 -7.885 2.629 -40.540 303 HA TRP 543 HA TRP 543 -9.460 1.520 -42.647 304 HB2 TRP 543 HB2 TRP 543 -7.183 0.766 -41.989 305 HB3 TRP 543 HB3 TRP 543 -7.824 0.097 -40.498 306 HD1 TRP 543 HD1 TRP 543 -7.654 -0.517 -44.240 307 HE1 TRP 543 HE1 TRP 543 -8.361 -2.921 -44.785 308 HE3 TRP 543 HE3 TRP 543 -9.350 -1.937 -39.612 309 HZ2 TRP 543 HZ2 TRP 543 -9.519 -5.171 -43.398 310 HZ3 TRP 543 HZ3 TRP 543 -10.265 -4.214 -39.266 311 HH2 TRP 543 HH2 TRP 543 -10.346 -5.841 -41.139 312 H ARG 544 H ARG 544 -9.663 1.101 -39.060 313 HA ARG 544 HA ARG 544 -11.730 -0.882 -39.116 314 HB2 ARG 544 HB2 ARG 544 -10.365 -0.576 -37.145 315 HB3 ARG 544 HB3 ARG 544 -10.835 1.110 -36.989 316 HG2 ARG 544 HG2 ARG 544 -11.930 -0.276 -35.294 317 HG3 ARG 544 HG3 ARG 544 -13.094 0.511 -36.338 318 HD2 ARG 544 HD2 ARG 544 -13.882 -1.694 -35.932 319 HD3 ARG 544 HD3 ARG 544 -13.370 -1.629 -37.615 320 HE ARG 544 HE ARG 544 -11.489 -2.660 -35.545 321 HH11 ARG 544 HH11 ARG 544 -13.569 -3.475 -38.296 322 HH12 ARG 544 HH12 ARG 544 -12.957 -5.097 -38.383 323 HH21 ARG 544 HH21 ARG 544 -10.749 -4.769 -35.722 324 HH22 ARG 544 HH22 ARG 544 -11.348 -5.793 -36.992 325 H HIS 545 H HIS 545 -11.907 2.683 -38.624 326 HA HIS 545 HA HIS 545 -14.824 2.527 -38.331 327 HB2 HIS 545 HB2 HIS 545 -12.909 4.913 -38.318 328 HB3 HIS 545 HB3 HIS 545 -14.623 4.958 -37.864 329 HD1 HIS 545 HD1 HIS 545 -11.272 4.001 -36.416 330 HD2 HIS 545 HD2 HIS 545 -15.335 3.226 -35.757 331 HE1 HIS 545 HE1 HIS 545 -11.420 2.874 -34.126 332 H SER 546 H SER 546 -12.831 2.685 -41.061 333 HA SER 546 HA SER 546 -14.368 4.441 -42.783 334 HB2 SER 546 HB2 SER 546 -12.104 3.662 -43.373 335 HB3 SER 546 HB3 SER 546 -12.695 1.980 -43.407 336 HG SER 546 HG SER 546 -12.537 2.959 -45.512 337 H MET 547 H MET 547 -14.703 1.086 -41.679 338 HA MET 547 HA MET 547 -16.634 0.143 -43.547 339 HB2 MET 547 HB2 MET 547 -16.341 -0.534 -40.583 340 HB3 MET 547 HB3 MET 547 -17.218 -1.492 -41.782 341 HG2 MET 547 HG2 MET 547 -15.115 -1.883 -43.025 342 HG3 MET 547 HG3 MET 547 -14.226 -0.903 -41.858 343 HE1 MET 547 HE1 MET 547 -12.802 -4.395 -41.118 344 HE2 MET 547 HE2 MET 547 -13.234 -3.679 -42.682 345 HE3 MET 547 HE3 MET 547 -12.443 -2.686 -41.439 346 H GLU 548 H GLU 548 -18.804 0.421 -43.771 347 HA GLU 548 HA GLU 548 -20.106 2.647 -42.533 348 HB2 GLU 548 HB2 GLU 548 -21.114 0.288 -44.171 349 HB3 GLU 548 HB3 GLU 548 -22.205 1.522 -43.554 350 HG2 GLU 548 HG2 GLU 548 -19.847 2.031 -45.408 351 HG3 GLU 548 HG3 GLU 548 -21.543 1.958 -45.883 352 H GLY 549 H GLY 549 -21.769 2.764 -40.996 353 HA2 GLY 549 HA2 GLY 549 -23.219 1.874 -39.323 354 HA3 GLY 549 HA3 GLY 549 -22.383 0.313 -39.427 355 H LEU 550 H LEU 550 -19.737 2.013 -39.348 356 HA LEU 550 HA LEU 550 -19.698 2.387 -36.366 357 HB2 LEU 550 HB2 LEU 550 -17.490 1.602 -38.321 358 HB3 LEU 550 HB3 LEU 550 -17.222 2.100 -36.653 359 HG LEU 550 HG LEU 550 -18.525 0.206 -35.818 360 HD11 LEU 550 HD11 LEU 550 -18.495 -0.775 -38.695 361 HD12 LEU 550 HD12 LEU 550 -19.920 -0.491 -37.658 362 HD13 LEU 550 HD13 LEU 550 -18.816 -1.792 -37.267 363 HD21 LEU 550 HD21 LEU 550 -16.670 -1.431 -36.299 364 HD22 LEU 550 HD22 LEU 550 -16.124 0.178 -35.820 365 HD23 LEU 550 HD23 LEU 550 -16.068 -0.310 -37.534 366 H ARG 551 H ARG 551 -20.129 4.243 -38.990 367 HA ARG 551 HA ARG 551 -17.992 6.156 -38.924 368 HB2 ARG 551 HB2 ARG 551 -19.641 7.618 -40.166 369 HB3 ARG 551 HB3 ARG 551 -19.327 6.042 -40.877 370 HG2 ARG 551 HG2 ARG 551 -21.463 5.172 -40.176 371 HG3 ARG 551 HG3 ARG 551 -21.773 6.574 -39.143 372 HD2 ARG 551 HD2 ARG 551 -23.069 6.610 -41.254 373 HD3 ARG 551 HD3 ARG 551 -22.054 8.026 -41.037 374 HE ARG 551 HE ARG 551 -21.573 5.746 -42.943 375 HH11 ARG 551 HH11 ARG 551 -20.811 9.110 -42.061 376 HH12 ARG 551 HH12 ARG 551 -19.916 9.365 -43.528 377 HH21 ARG 551 HH21 ARG 551 -20.416 6.150 -44.771 378 HH22 ARG 551 HH22 ARG 551 -19.705 7.722 -45.043 379 H HIS 552 H HIS 552 -20.502 5.598 -36.651 380 HA HIS 552 HA HIS 552 -20.724 8.403 -35.758 381 HB2 HIS 552 HB2 HIS 552 -22.341 7.523 -34.148 382 HB3 HIS 552 HB3 HIS 552 -22.703 6.920 -35.760 383 HD2 HIS 552 HD2 HIS 552 -21.838 5.751 -32.264 384 HE1 HIS 552 HE1 HIS 552 -21.546 2.253 -34.656 385 HE2 HIS 552 HE2 HIS 552 -21.569 3.150 -32.257 386 H HIS 553 H HIS 553 -18.405 6.023 -35.323 387 HA HIS 553 HA HIS 553 -17.968 6.191 -32.452 388 HB2 HIS 553 HB2 HIS 553 -16.167 5.264 -34.725 389 HB3 HIS 553 HB3 HIS 553 -15.780 5.080 -33.026 390 HD2 HIS 553 HD2 HIS 553 -19.390 4.237 -33.952 391 HE1 HIS 553 HE1 HIS 553 -17.336 0.534 -33.621 392 HE2 HIS 553 HE2 HIS 553 -19.629 1.620 -33.860 393 H SER 554 H SER 554 -15.934 7.033 -31.457 394 HA SER 554 HA SER 554 -14.572 9.227 -32.904 395 HB2 SER 554 HB2 SER 554 -14.994 10.820 -31.010 396 HB3 SER 554 HB3 SER 554 -16.434 10.424 -31.954 397 HG SER 554 HG SER 554 -16.858 10.374 -29.697 398 HA PRO 555 HA PRO 555 -11.326 7.474 -30.440 399 HB2 PRO 555 HB2 PRO 555 -9.222 8.996 -31.286 400 HB3 PRO 555 HB3 PRO 555 -10.078 7.884 -32.381 401 HG2 PRO 555 HG2 PRO 555 -10.415 10.880 -32.132 402 HG3 PRO 555 HG3 PRO 555 -10.316 9.885 -33.613 403 HD2 PRO 555 HD2 PRO 555 -12.699 10.749 -32.452 404 HD3 PRO 555 HD3 PRO 555 -12.537 9.283 -33.474 405 H LEU 556 H LEU 556 -11.090 7.706 -28.283 406 HA LEU 556 HA LEU 556 -10.980 10.341 -27.002 407 HB2 LEU 556 HB2 LEU 556 -10.679 7.473 -26.059 408 HB3 LEU 556 HB3 LEU 556 -10.389 8.826 -24.964 409 HG LEU 556 HG LEU 556 -12.929 8.859 -26.610 410 HD11 LEU 556 HD11 LEU 556 -12.899 6.620 -25.824 411 HD12 LEU 556 HD12 LEU 556 -14.094 7.548 -24.883 412 HD13 LEU 556 HD13 LEU 556 -12.525 7.135 -24.151 413 HD21 LEU 556 HD21 LEU 556 -13.770 10.098 -24.690 414 HD22 LEU 556 HD22 LEU 556 -12.189 10.779 -25.147 415 HD23 LEU 556 HD23 LEU 556 -12.318 9.705 -23.741 416 H MET 557 H MET 557 -9.187 11.219 -25.894 417 HA MET 557 HA MET 557 -6.509 10.148 -26.722 418 HB2 MET 557 HB2 MET 557 -7.399 13.070 -26.866 419 HB3 MET 557 HB3 MET 557 -5.786 12.449 -27.247 420 HG2 MET 557 HG2 MET 557 -6.795 11.053 -29.066 421 HG3 MET 557 HG3 MET 557 -8.365 11.776 -28.719 422 HE1 MET 557 HE1 MET 557 -8.947 12.645 -30.998 423 HE2 MET 557 HE2 MET 557 -7.784 13.408 -32.102 424 HE3 MET 557 HE3 MET 557 -7.538 11.731 -31.573 425 H ARG 558 H ARG 558 -4.758 10.680 -25.351 426 HA ARG 558 HA ARG 558 -5.516 11.035 -22.539 427 HB2 ARG 558 HB2 ARG 558 -2.780 10.703 -23.868 428 HB3 ARG 558 HB3 ARG 558 -3.089 10.669 -22.125 429 HG2 ARG 558 HG2 ARG 558 -4.634 8.719 -22.465 430 HG3 ARG 558 HG3 ARG 558 -4.184 8.698 -24.180 431 HD2 ARG 558 HD2 ARG 558 -1.807 8.327 -23.537 432 HD3 ARG 558 HD3 ARG 558 -2.298 8.308 -21.830 433 HE ARG 558 HE ARG 558 -3.650 6.429 -23.680 434 HH11 ARG 558 HH21 ARG 558 -1.157 6.700 -21.161 435 HH12 ARG 558 HH22 ARG 558 -1.242 4.995 -20.810 436 HH21 ARG 558 HH11 ARG 558 -3.704 4.265 -23.113 437 HH22 ARG 558 HH12 ARG 558 -2.660 3.673 -21.860 438 H ASN 559 H ASN 559 -4.328 12.572 -21.115 439 HA ASN 559 HA ASN 559 -4.627 15.280 -21.995 440 HB2 ASN 559 HB2 ASN 559 -4.782 14.471 -19.615 441 HB3 ASN 559 HB3 ASN 559 -3.040 14.201 -19.622 442 HD21 ASN 559 HD21 ASN 559 -2.711 15.725 -17.890 443 HD22 ASN 559 HD22 ASN 559 -2.886 17.449 -18.166 444 H GLN 560 H GLN 560 -3.129 16.869 -22.562 445 HA GLN 560 HA GLN 560 -0.745 15.957 -23.950 446 HB2 GLN 560 HB2 GLN 560 -1.764 18.767 -23.280 447 HB3 GLN 560 HB3 GLN 560 -0.381 18.415 -24.302 448 HG2 GLN 560 HG2 GLN 560 -2.119 18.830 -25.811 449 HG3 GLN 560 HG3 GLN 560 -1.888 17.089 -25.835 450 HE21 GLN 560 HE21 GLN 560 -4.122 17.163 -26.861 451 HE22 GLN 560 HE22 GLN 560 -5.500 17.231 -25.773 452 H LYS 561 H LYS 561 1.445 16.828 -23.573 453 HA LYS 561 HA LYS 561 2.099 17.773 -20.857 454 HB2 LYS 561 HB2 LYS 561 3.659 15.889 -20.402 455 HB3 LYS 561 HB3 LYS 561 1.981 15.368 -20.451 456 HG2 LYS 561 HG2 LYS 561 2.261 14.389 -22.669 457 HG3 LYS 561 HG3 LYS 561 3.902 15.050 -22.802 458 HD2 LYS 561 HD2 LYS 561 4.629 13.687 -20.891 459 HD3 LYS 561 HD3 LYS 561 3.004 12.990 -20.741 460 HE2 LYS 561 HE2 LYS 561 3.151 11.902 -22.871 461 HE3 LYS 561 HE3 LYS 561 4.555 12.862 -23.356 462 HZ1 LYS 561 HZ1 LYS 561 4.635 10.875 -21.156 463 HZ2 LYS 561 HZ2 LYS 561 5.904 11.723 -21.780 464 HZ3 LYS 561 HZ3 LYS 561 5.149 10.592 -22.683 465 H ASN 562 H ASN 562 4.425 18.301 -20.631 466 HA ASN 562 HA ASN 562 5.471 19.558 -23.026 467 HB2 ASN 562 HB2 ASN 562 5.786 20.532 -20.783 468 HB3 ASN 562 HB3 ASN 562 6.707 19.120 -20.263 469 HD21 ASN 562 HD21 ASN 562 6.751 21.921 -22.523 470 HD22 ASN 562 HD22 ASN 562 8.498 21.939 -22.688 471 H ARG 563 H ARG 563 6.382 16.659 -21.094 472 HA ARG 563 HA ARG 563 7.627 15.385 -23.400 473 HB2 ARG 563 HB2 ARG 563 9.452 16.937 -22.726 474 HB3 ARG 563 HB3 ARG 563 9.425 16.283 -21.092 475 HG2 ARG 563 HG2 ARG 563 10.155 14.072 -21.963 476 HG3 ARG 563 HG3 ARG 563 10.044 14.685 -23.619 477 HD2 ARG 563 HD2 ARG 563 12.355 14.674 -22.938 478 HD3 ARG 563 HD3 ARG 563 11.834 16.341 -23.126 479 HE ARG 563 HE ARG 563 12.420 14.883 -20.592 480 HH11 ARG 563 HH21 ARG 563 11.604 18.019 -22.038 481 HH12 ARG 563 HH22 ARG 563 11.988 18.880 -20.581 482 HH21 ARG 563 HH11 ARG 563 12.910 16.066 -18.767 483 HH22 ARG 563 HH12 ARG 563 12.733 17.793 -18.768 484 H ASP 564 H ASP 564 7.856 15.384 -19.790 485 HA ASP 564 HA ASP 564 6.359 12.900 -19.568 486 HB2 ASP 564 HB2 ASP 564 8.708 12.144 -20.337 487 HB3 ASP 564 HB3 ASP 564 9.310 12.766 -18.804 488 H SER 565 H SER 565 5.973 12.291 -17.338 489 HA SER 565 HA SER 565 5.944 14.609 -15.543 490 HB2 SER 565 HB2 SER 565 4.791 12.957 -13.994 491 HB3 SER 565 HB3 SER 565 3.998 13.234 -15.550 492 HG SER 565 HG SER 565 4.105 10.986 -14.995 493 H SER 566 H SER 566 7.974 11.777 -16.017 494 HA SER 566 HA SER 566 9.576 12.555 -13.599 495 HB2 SER 566 HB2 SER 566 8.828 9.731 -14.485 496 HB3 SER 566 HB3 SER 566 10.050 10.110 -13.262 497 HG SER 566 HG SER 566 7.990 9.616 -12.335 Start of MODEL 5 1 H1 GLY 502 H1 GLY 502 -20.195 -7.128 -6.233 2 H2 GLY 502 H2 GLY 502 -20.131 -7.106 -4.630 3 H3 GLY 502 H3 GLY 502 -20.725 -8.400 -5.394 4 HA2 GLY 502 HA2 GLY 502 -18.575 -8.959 -4.464 5 HA3 GLY 502 HA3 GLY 502 -18.523 -9.009 -6.238 6 HA PRO 503 HA PRO 503 -15.129 -6.189 -4.623 7 HB2 PRO 503 HB2 PRO 503 -12.944 -7.572 -5.538 8 HB3 PRO 503 HB3 PRO 503 -13.789 -8.005 -4.023 9 HG2 PRO 503 HG2 PRO 503 -14.151 -9.244 -6.773 10 HG3 PRO 503 HG3 PRO 503 -13.878 -10.082 -5.211 11 HD2 PRO 503 HD2 PRO 503 -16.375 -9.734 -6.273 12 HD3 PRO 503 HD3 PRO 503 -16.090 -9.682 -4.504 13 H VAL 504 H VAL 504 -13.557 -4.904 -5.905 14 HA VAL 504 HA VAL 504 -13.986 -5.026 -8.870 15 HB VAL 504 HB VAL 504 -14.138 -2.497 -7.152 16 HG11 VAL 504 HG11 VAL 504 -13.077 -1.989 -9.314 17 HG12 VAL 504 HG12 VAL 504 -14.370 -2.850 -10.179 18 HG13 VAL 504 HG13 VAL 504 -14.719 -1.349 -9.294 19 HG21 VAL 504 HG21 VAL 504 -16.310 -3.901 -8.776 20 HG22 VAL 504 HG22 VAL 504 -16.253 -3.746 -7.005 21 HG23 VAL 504 HG23 VAL 504 -16.470 -2.310 -8.004 22 H GLN 505 H GLN 505 -12.150 -4.837 -10.021 23 HA GLN 505 HA GLN 505 -9.853 -3.304 -9.108 24 HB2 GLN 505 HB2 GLN 505 -8.280 -5.207 -8.929 25 HB3 GLN 505 HB3 GLN 505 -9.512 -5.281 -7.682 26 HG2 GLN 505 HG2 GLN 505 -10.748 -7.011 -9.004 27 HG3 GLN 505 HG3 GLN 505 -9.482 -6.955 -10.236 28 HE21 GLN 505 HE21 GLN 505 -7.208 -7.584 -9.506 29 HE22 GLN 505 HE22 GLN 505 -7.096 -8.758 -8.204 30 H ILE 506 H ILE 506 -8.003 -3.494 -10.677 31 HA ILE 506 HA ILE 506 -8.532 -4.783 -13.258 32 HB ILE 506 HB ILE 506 -9.916 -2.723 -13.402 33 HG12 ILE 506 HG12 ILE 506 -9.118 -1.791 -15.497 34 HG13 ILE 506 HG13 ILE 506 -7.541 -2.534 -15.284 35 HG21 ILE 506 HG21 ILE 506 -7.359 -1.091 -13.183 36 HG22 ILE 506 HG22 ILE 506 -9.002 -0.493 -13.464 37 HG23 ILE 506 HG23 ILE 506 -8.596 -1.229 -11.911 38 HD11 ILE 506 HD11 ILE 506 -10.171 -4.066 -15.534 39 HD12 ILE 506 HD12 ILE 506 -9.037 -3.761 -16.864 40 HD13 ILE 506 HD13 ILE 506 -8.539 -4.780 -15.505 41 H ASP 507 H ASP 507 -6.679 -4.974 -14.525 42 HA ASP 507 HA ASP 507 -4.137 -4.433 -13.142 43 HB2 ASP 507 HB2 ASP 507 -4.665 -6.601 -14.303 44 HB3 ASP 507 HB3 ASP 507 -4.679 -5.760 -15.838 45 HA PRO 508 HA PRO 508 -3.497 -0.670 -15.391 46 HB2 PRO 508 HB2 PRO 508 -0.946 -0.033 -14.605 47 HB3 PRO 508 HB3 PRO 508 -2.288 -0.165 -13.450 48 HG2 PRO 508 HG2 PRO 508 -0.266 -2.326 -14.139 49 HG3 PRO 508 HG3 PRO 508 -0.693 -1.694 -12.516 50 HD2 PRO 508 HD2 PRO 508 -1.844 -3.939 -13.540 51 HD3 PRO 508 HD3 PRO 508 -2.774 -2.793 -12.528 52 H TYR 509 H TYR 509 -3.450 -2.760 -17.223 53 HA TYR 509 HA TYR 509 -0.923 -2.673 -18.759 54 HB2 TYR 509 HB2 TYR 509 -1.990 -4.212 -20.258 55 HB3 TYR 509 HB3 TYR 509 -2.331 -4.742 -18.626 56 HD1 TYR 509 HD1 TYR 509 -4.621 -4.617 -17.717 57 HD2 TYR 509 HD2 TYR 509 -3.768 -3.376 -21.744 58 HE1 TYR 509 HE1 TYR 509 -7.057 -4.595 -18.211 59 HE2 TYR 509 HE2 TYR 509 -6.204 -3.348 -22.255 60 HH TYR 509 HH TYR 509 -8.681 -4.201 -19.800 61 H LEU 510 H LEU 510 -3.475 -0.558 -18.344 62 HA LEU 510 HA LEU 510 -4.212 0.163 -21.005 63 HB2 LEU 510 HB2 LEU 510 -4.171 1.890 -18.494 64 HB3 LEU 510 HB3 LEU 510 -5.079 2.233 -19.964 65 HG LEU 510 HG LEU 510 -5.552 -0.131 -18.087 66 HD11 LEU 510 HD11 LEU 510 -6.225 2.045 -17.147 67 HD12 LEU 510 HD12 LEU 510 -7.636 1.040 -17.518 68 HD13 LEU 510 HD13 LEU 510 -7.197 2.384 -18.597 69 HD21 LEU 510 HD21 LEU 510 -7.610 -0.524 -19.423 70 HD22 LEU 510 HD22 LEU 510 -6.153 -0.777 -20.387 71 HD23 LEU 510 HD23 LEU 510 -7.095 0.720 -20.583 72 H GLU 511 H GLU 511 -3.713 2.109 -22.190 73 HA GLU 511 HA GLU 511 -2.324 3.699 -23.144 74 HB2 GLU 511 HB2 GLU 511 -1.861 4.408 -20.702 75 HB3 GLU 511 HB3 GLU 511 -0.362 3.472 -20.805 76 HG2 GLU 511 HG2 GLU 511 0.171 5.723 -21.267 77 HG3 GLU 511 HG3 GLU 511 0.356 4.805 -22.754 78 H ASP 512 H ASP 512 -0.265 1.238 -21.468 79 HA ASP 512 HA ASP 512 1.397 0.965 -23.908 80 HB2 ASP 512 HB2 ASP 512 2.369 1.097 -21.567 81 HB3 ASP 512 HB3 ASP 512 1.639 -0.466 -21.224 82 H SER 513 H SER 513 -1.278 0.173 -24.273 83 HA SER 513 HA SER 513 -1.183 -2.814 -24.284 84 HB2 SER 513 HB2 SER 513 -3.206 -1.549 -23.316 85 HB3 SER 513 HB3 SER 513 -3.569 -1.088 -24.989 86 HG SER 513 HG SER 513 -4.653 -3.019 -24.428 87 H LEU 514 H LEU 514 -0.979 -3.933 -26.164 88 HA LEU 514 HA LEU 514 -0.112 -2.565 -28.531 89 HB2 LEU 514 HB2 LEU 514 -0.774 -5.436 -27.826 90 HB3 LEU 514 HB3 LEU 514 -0.549 -4.999 -29.501 91 HG LEU 514 HG LEU 514 1.463 -5.944 -28.592 92 HD11 LEU 514 HD11 LEU 514 3.043 -4.366 -29.449 93 HD12 LEU 514 HD12 LEU 514 1.983 -2.994 -29.102 94 HD13 LEU 514 HD13 LEU 514 1.551 -4.148 -30.384 95 HD21 LEU 514 HD21 LEU 514 2.839 -4.869 -26.904 96 HD22 LEU 514 HD22 LEU 514 1.239 -5.216 -26.226 97 HD23 LEU 514 HD23 LEU 514 1.664 -3.557 -26.708 98 H CYS 515 H CYS 515 -1.093 -2.173 -30.496 99 HA CYS 515 HA CYS 515 -3.927 -1.766 -30.632 100 HB2 CYS 515 HB2 CYS 515 -2.384 -0.576 -32.096 101 HB3 CYS 515 HB3 CYS 515 -1.797 -2.093 -32.772 102 H HIS 516 H HIS 516 -5.587 -3.098 -31.107 103 HA HIS 516 HA HIS 516 -5.124 -5.926 -31.022 104 HB2 HIS 516 HB2 HIS 516 -7.622 -4.269 -31.579 105 HB3 HIS 516 HB3 HIS 516 -7.633 -6.027 -31.407 106 HD2 HIS 516 HD2 HIS 516 -7.747 -7.019 -29.019 107 HE1 HIS 516 HE1 HIS 516 -6.979 -3.502 -26.747 108 HE2 HIS 516 HE2 HIS 516 -7.624 -5.964 -26.615 109 H ILE 517 H ILE 517 -5.200 -3.742 -33.722 110 HA ILE 517 HA ILE 517 -6.102 -5.762 -35.678 111 HB ILE 517 HB ILE 517 -5.048 -2.910 -36.039 112 HG12 ILE 517 HG12 ILE 517 -7.158 -2.872 -34.875 113 HG13 ILE 517 HG13 ILE 517 -7.395 -2.336 -36.528 114 HG21 ILE 517 HG21 ILE 517 -4.626 -4.089 -38.108 115 HG22 ILE 517 HG22 ILE 517 -6.238 -4.826 -38.088 116 HG23 ILE 517 HG23 ILE 517 -6.049 -3.076 -38.334 117 HD11 ILE 517 HD11 ILE 517 -8.300 -4.645 -37.081 118 HD12 ILE 517 HD12 ILE 517 -8.196 -5.031 -35.346 119 HD13 ILE 517 HD13 ILE 517 -9.256 -3.734 -35.907 120 H CYS 518 H CYS 518 -3.115 -3.713 -35.481 121 HA CYS 518 HA CYS 518 -1.713 -5.626 -37.204 122 HB2 CYS 518 HB2 CYS 518 0.115 -3.959 -37.102 123 HB3 CYS 518 HB3 CYS 518 -1.431 -3.283 -37.608 124 H SER 519 H SER 519 -1.781 -4.815 -33.756 125 HA SER 519 HA SER 519 -0.713 -5.731 -31.911 126 HB2 SER 519 HB2 SER 519 -0.108 -8.091 -33.765 127 HB3 SER 519 HB3 SER 519 -0.131 -8.099 -32.004 128 HG SER 519 HG SER 519 -2.088 -8.916 -32.917 129 H SER 520 H SER 520 0.960 -4.283 -34.152 130 HA SER 520 HA SER 520 3.667 -5.374 -33.504 131 HB2 SER 520 HB2 SER 520 2.830 -5.001 -35.898 132 HB3 SER 520 HB3 SER 520 2.954 -3.265 -35.580 133 HG SER 520 HG SER 520 4.852 -4.167 -36.584 134 H GLN 521 H GLN 521 1.562 -2.845 -32.549 135 HA GLN 521 HA GLN 521 3.592 -1.515 -30.960 136 HB2 GLN 521 HB2 GLN 521 3.436 0.718 -32.047 137 HB3 GLN 521 HB3 GLN 521 4.121 -0.466 -33.136 138 HG2 GLN 521 HG2 GLN 521 1.874 -0.676 -34.260 139 HG3 GLN 521 HG3 GLN 521 1.255 0.569 -33.167 140 HE21 GLN 521 HE21 GLN 521 3.778 -0.005 -35.707 141 HE22 GLN 521 HE22 GLN 521 3.812 1.677 -36.213 142 HA PRO 522 HA PRO 522 -0.083 -0.525 -28.727 143 HB2 PRO 522 HB2 PRO 522 0.651 1.649 -27.226 144 HB3 PRO 522 HB3 PRO 522 1.318 0.015 -26.965 145 HG2 PRO 522 HG2 PRO 522 2.562 2.292 -28.534 146 HG3 PRO 522 HG3 PRO 522 3.331 1.248 -27.297 147 HD2 PRO 522 HD2 PRO 522 3.600 0.777 -29.959 148 HD3 PRO 522 HD3 PRO 522 3.483 -0.567 -28.786 149 H GLY 523 H GLY 523 -1.986 0.566 -29.022 150 HA2 GLY 523 HA2 GLY 523 -1.991 2.676 -31.089 151 HA3 GLY 523 HA3 GLY 523 -3.399 1.830 -30.432 152 HA PRO 524 HA PRO 524 -2.334 5.812 -27.882 153 HB2 PRO 524 HB2 PRO 524 -2.344 8.028 -29.492 154 HB3 PRO 524 HB3 PRO 524 -0.882 7.031 -29.235 155 HG2 PRO 524 HG2 PRO 524 -2.830 6.912 -31.554 156 HG3 PRO 524 HG3 PRO 524 -1.041 6.985 -31.616 157 HD2 PRO 524 HD2 PRO 524 -2.454 4.647 -31.792 158 HD3 PRO 524 HD3 PRO 524 -0.840 4.718 -31.015 159 H PHE 525 H PHE 525 -4.623 5.023 -30.375 160 HA PHE 525 HA PHE 525 -6.689 6.821 -29.177 161 HB2 PHE 525 HB2 PHE 525 -6.764 5.289 -31.809 162 HB3 PHE 525 HB3 PHE 525 -7.960 6.440 -31.232 163 HD1 PHE 525 HD1 PHE 525 -7.025 8.880 -30.676 164 HD2 PHE 525 HD2 PHE 525 -5.127 6.048 -33.317 165 HE1 PHE 525 HE1 PHE 525 -5.799 10.733 -31.784 166 HE2 PHE 525 HE2 PHE 525 -3.889 7.904 -34.411 167 HZ PHE 525 HZ PHE 525 -4.227 10.247 -33.651 168 H PHE 526 H PHE 526 -8.537 5.991 -28.292 169 HA PHE 526 HA PHE 526 -8.964 3.040 -28.438 170 HB2 PHE 526 HB2 PHE 526 -8.037 3.398 -26.234 171 HB3 PHE 526 HB3 PHE 526 -9.044 4.815 -25.970 172 HD1 PHE 526 HD1 PHE 526 -9.108 1.118 -26.331 173 HD2 PHE 526 HD2 PHE 526 -11.297 4.602 -25.085 174 HE1 PHE 526 HE1 PHE 526 -10.782 -0.343 -25.222 175 HE2 PHE 526 HE2 PHE 526 -12.993 3.142 -24.002 176 HZ PHE 526 HZ PHE 526 -12.723 0.672 -24.052 177 H CYS 527 H CYS 527 -10.989 2.478 -28.990 178 HA CYS 527 HA CYS 527 -12.987 4.670 -29.312 179 HB2 CYS 527 HB2 CYS 527 -12.432 3.239 -31.271 180 HB3 CYS 527 HB3 CYS 527 -12.954 1.815 -30.369 181 H ARG 528 H ARG 528 -14.803 4.795 -28.093 182 HA ARG 528 HA ARG 528 -15.000 2.911 -25.820 183 HB2 ARG 528 HB2 ARG 528 -16.561 5.481 -26.376 184 HB3 ARG 528 HB3 ARG 528 -16.514 4.579 -24.866 185 HG2 ARG 528 HG2 ARG 528 -14.845 5.927 -24.211 186 HG3 ARG 528 HG3 ARG 528 -13.810 5.029 -25.308 187 HD2 ARG 528 HD2 ARG 528 -13.467 7.316 -25.809 188 HD3 ARG 528 HD3 ARG 528 -14.449 6.693 -27.130 189 HE ARG 528 HE ARG 528 -15.720 8.049 -24.780 190 HH11 ARG 528 HH11 ARG 528 -15.092 8.168 -28.281 191 HH12 ARG 528 HH12 ARG 528 -16.234 9.436 -28.527 192 HH21 ARG 528 HH21 ARG 528 -17.165 9.712 -25.179 193 HH22 ARG 528 HH22 ARG 528 -17.372 10.313 -26.797 194 H ASP 529 H ASP 529 -16.455 3.148 -28.896 195 HA ASP 529 HA ASP 529 -19.188 2.513 -28.293 196 HB2 ASP 529 HB2 ASP 529 -18.134 3.300 -30.543 197 HB3 ASP 529 HB3 ASP 529 -17.714 1.590 -30.786 198 H GLN 530 H GLN 530 -20.294 0.536 -28.226 199 HA GLN 530 HA GLN 530 -18.937 -1.673 -27.015 200 HB2 GLN 530 HB2 GLN 530 -21.369 -1.064 -26.773 201 HB3 GLN 530 HB3 GLN 530 -21.654 -1.660 -28.412 202 HG2 GLN 530 HG2 GLN 530 -20.986 -3.937 -27.719 203 HG3 GLN 530 HG3 GLN 530 -20.556 -3.343 -26.110 204 HE21 GLN 530 HE21 GLN 530 -22.392 -2.473 -24.728 205 HE22 GLN 530 HE22 GLN 530 -23.996 -3.128 -25.020 206 H VAL 531 H VAL 531 -19.544 -0.815 -30.395 207 HA VAL 531 HA VAL 531 -19.238 -3.455 -31.558 208 HB VAL 531 HB VAL 531 -18.824 -0.634 -32.583 209 HG11 VAL 531 HG11 VAL 531 -18.488 -3.179 -34.193 210 HG12 VAL 531 HG12 VAL 531 -18.790 -1.574 -34.891 211 HG13 VAL 531 HG13 VAL 531 -17.315 -1.851 -33.956 212 HG21 VAL 531 HG21 VAL 531 -20.799 -1.052 -33.956 213 HG22 VAL 531 HG22 VAL 531 -20.915 -2.715 -33.339 214 HG23 VAL 531 HG23 VAL 531 -21.189 -1.340 -32.245 215 H CYS 532 H CYS 532 -16.923 -0.913 -30.582 216 HA CYS 532 HA CYS 532 -14.657 -2.568 -31.604 217 HB2 CYS 532 HB2 CYS 532 -14.886 0.363 -30.841 218 HB3 CYS 532 HB3 CYS 532 -13.357 -0.417 -31.279 219 H PHE 533 H PHE 533 -14.629 -0.119 -28.986 220 HA PHE 533 HA PHE 533 -13.783 -0.181 -26.845 221 HB2 PHE 533 HB2 PHE 533 -15.735 -1.987 -26.827 222 HB3 PHE 533 HB3 PHE 533 -14.433 -3.130 -26.573 223 HD1 PHE 533 HD2 PHE 533 -15.602 0.273 -25.360 224 HD2 PHE 533 HD1 PHE 533 -13.883 -3.547 -24.288 225 HE1 PHE 533 HE2 PHE 533 -15.703 0.893 -22.964 226 HE2 PHE 533 HE1 PHE 533 -13.970 -2.903 -21.892 227 HZ PHE 533 HZ PHE 533 -14.882 -0.687 -21.225 228 H LYS 534 H LYS 534 -11.888 -0.492 -28.902 229 HA LYS 534 HA LYS 534 -9.821 -2.231 -27.617 230 HB2 LYS 534 HB2 LYS 534 -10.766 -2.294 -30.506 231 HB3 LYS 534 HB3 LYS 534 -9.174 -2.893 -30.063 232 HG2 LYS 534 HG2 LYS 534 -10.144 -4.560 -28.562 233 HG3 LYS 534 HG3 LYS 534 -11.753 -3.902 -28.815 234 HD2 LYS 534 HD2 LYS 534 -11.517 -4.469 -31.295 235 HD3 LYS 534 HD3 LYS 534 -10.028 -5.321 -30.861 236 HE2 LYS 534 HE2 LYS 534 -11.704 -7.004 -30.858 237 HE3 LYS 534 HE3 LYS 534 -11.398 -6.642 -29.157 238 HZ1 LYS 534 HZ1 LYS 534 -13.699 -5.712 -30.786 239 HZ2 LYS 534 HZ2 LYS 534 -13.400 -5.127 -29.294 240 HZ3 LYS 534 HZ3 LYS 534 -13.752 -6.718 -29.503 241 H TYR 535 H TYR 535 -7.604 -1.839 -28.685 242 HA TYR 535 HA TYR 535 -7.171 1.103 -28.875 243 HB2 TYR 535 HB2 TYR 535 -5.391 -1.300 -28.334 244 HB3 TYR 535 HB3 TYR 535 -4.700 0.218 -28.864 245 HD1 TYR 535 HD1 TYR 535 -7.515 -0.358 -26.400 246 HD2 TYR 535 HD2 TYR 535 -3.471 0.970 -27.038 247 HE1 TYR 535 HE1 TYR 535 -7.516 0.666 -24.168 248 HE2 TYR 535 HE2 TYR 535 -3.382 1.826 -24.727 249 HH TYR 535 HH TYR 535 -6.296 1.776 -22.582 250 H PHE 536 H PHE 536 -6.236 2.126 -30.643 251 HA PHE 536 HA PHE 536 -5.589 0.471 -33.038 252 HB2 PHE 536 HB2 PHE 536 -7.502 2.826 -33.056 253 HB3 PHE 536 HB3 PHE 536 -7.003 1.895 -34.453 254 HD1 PHE 536 HD1 PHE 536 -7.665 -0.577 -34.591 255 HD2 PHE 536 HD2 PHE 536 -9.405 2.172 -31.767 256 HE1 PHE 536 HE1 PHE 536 -9.586 -2.121 -34.263 257 HE2 PHE 536 HE2 PHE 536 -11.331 0.648 -31.473 258 HZ PHE 536 HZ PHE 536 -11.432 -1.502 -32.722 259 H CYS 537 H CYS 537 -4.191 1.430 -34.518 260 HA CYS 537 HA CYS 537 -2.744 3.866 -33.647 261 HB2 CYS 537 HB2 CYS 537 -2.276 2.329 -36.223 262 HB3 CYS 537 HB3 CYS 537 -1.152 3.338 -35.318 263 H ARG 538 H ARG 538 -2.195 5.379 -35.698 264 HA ARG 538 HA ARG 538 -4.562 6.783 -36.372 265 HB2 ARG 538 HB2 ARG 538 -2.229 7.694 -36.464 266 HB3 ARG 538 HB3 ARG 538 -1.923 6.736 -37.915 267 HG2 ARG 538 HG2 ARG 538 -3.821 7.988 -39.054 268 HG3 ARG 538 HG3 ARG 538 -4.000 8.954 -37.587 269 HD2 ARG 538 HD2 ARG 538 -2.696 10.203 -39.218 270 HD3 ARG 538 HD3 ARG 538 -1.676 9.781 -37.846 271 HE ARG 538 HE ARG 538 -0.340 8.508 -39.221 272 HH11 ARG 538 HH11 ARG 538 -3.319 9.107 -41.042 273 HH12 ARG 538 HH12 ARG 538 -2.686 8.369 -42.483 274 HH21 ARG 538 HH21 ARG 538 0.393 7.552 -41.100 275 HH22 ARG 538 HH22 ARG 538 -0.620 7.498 -42.509 276 H SER 539 H SER 539 -2.623 4.577 -38.490 277 HA SER 539 HA SER 539 -4.485 4.711 -40.683 278 HB2 SER 539 HB2 SER 539 -2.402 2.563 -40.087 279 HB3 SER 539 HB3 SER 539 -3.140 2.921 -41.660 280 HG SER 539 HG SER 539 -1.062 3.906 -41.431 281 H CYS 540 H CYS 540 -4.064 2.414 -37.967 282 HA CYS 540 HA CYS 540 -5.904 0.425 -38.949 283 HB2 CYS 540 HB2 CYS 540 -5.144 1.041 -36.077 284 HB3 CYS 540 HB3 CYS 540 -5.799 -0.475 -36.675 285 H TRP 541 H TRP 541 -6.272 3.327 -36.901 286 HA TRP 541 HA TRP 541 -9.006 2.865 -36.133 287 HB2 TRP 541 HB2 TRP 541 -7.570 4.471 -34.956 288 HB3 TRP 541 HB3 TRP 541 -7.354 5.421 -36.416 289 HD1 TRP 541 HD1 TRP 541 -9.519 6.770 -37.320 290 HE1 TRP 541 HE1 TRP 541 -11.636 7.652 -36.152 291 HE3 TRP 541 HE3 TRP 541 -8.948 4.472 -32.797 292 HZ2 TRP 541 HZ2 TRP 541 -13.087 7.075 -33.704 293 HZ3 TRP 541 HZ3 TRP 541 -10.650 4.729 -31.034 294 HH2 TRP 541 HH2 TRP 541 -12.766 5.944 -31.494 295 H HIS 542 H HIS 542 -7.483 4.745 -38.801 296 HA HIS 542 HA HIS 542 -9.861 5.714 -39.998 297 HB2 HIS 542 HB2 HIS 542 -7.609 6.494 -40.603 298 HB3 HIS 542 HB3 HIS 542 -7.205 4.914 -41.271 299 HD2 HIS 542 HD2 HIS 542 -7.762 4.514 -43.779 300 HE1 HIS 542 HE1 HIS 542 -10.290 7.867 -44.483 301 HE2 HIS 542 HE2 HIS 542 -9.106 5.891 -45.573 302 H TRP 543 H TRP 543 -8.102 2.603 -40.471 303 HA TRP 543 HA TRP 543 -9.814 1.604 -42.557 304 HB2 TRP 543 HB2 TRP 543 -7.603 0.669 -42.172 305 HB3 TRP 543 HB3 TRP 543 -8.014 0.215 -40.526 306 HD1 TRP 543 HD1 TRP 543 -8.663 -0.811 -44.148 307 HE1 TRP 543 HE1 TRP 543 -9.588 -3.201 -44.234 308 HE3 TRP 543 HE3 TRP 543 -9.242 -1.641 -39.119 309 HZ2 TRP 543 HZ2 TRP 543 -10.560 -5.181 -42.369 310 HZ3 TRP 543 HZ3 TRP 543 -10.229 -3.769 -38.313 311 HH2 TRP 543 HH2 TRP 543 -10.888 -5.542 -39.919 312 H ARG 544 H ARG 544 -9.793 1.089 -38.973 313 HA ARG 544 HA ARG 544 -11.863 -0.834 -38.891 314 HB2 ARG 544 HB2 ARG 544 -10.310 -0.258 -37.004 315 HB3 ARG 544 HB3 ARG 544 -11.170 1.264 -36.781 316 HG2 ARG 544 HG2 ARG 544 -11.998 -0.247 -35.131 317 HG3 ARG 544 HG3 ARG 544 -13.281 -0.088 -36.316 318 HD2 ARG 544 HD2 ARG 544 -12.344 -2.252 -37.401 319 HD3 ARG 544 HD3 ARG 544 -11.312 -2.388 -35.986 320 HE ARG 544 HE ARG 544 -13.149 -2.966 -34.672 321 HH11 ARG 544 HH21 ARG 544 -14.381 -1.916 -37.823 322 HH12 ARG 544 HH22 ARG 544 -15.879 -2.771 -37.617 323 HH21 ARG 544 HH11 ARG 544 -15.163 -3.937 -34.426 324 HH22 ARG 544 HH12 ARG 544 -16.335 -3.841 -35.700 325 H HIS 545 H HIS 545 -12.073 2.741 -38.626 326 HA HIS 545 HA HIS 545 -15.009 2.571 -38.320 327 HB2 HIS 545 HB2 HIS 545 -13.119 4.982 -38.345 328 HB3 HIS 545 HB3 HIS 545 -14.832 5.005 -37.889 329 HD1 HIS 545 HD1 HIS 545 -11.466 4.204 -36.418 330 HD2 HIS 545 HD2 HIS 545 -15.486 3.227 -35.789 331 HE1 HIS 545 HE1 HIS 545 -11.589 3.151 -34.089 332 H SER 546 H SER 546 -13.123 2.341 -40.996 333 HA SER 546 HA SER 546 -14.431 4.195 -42.830 334 HB2 SER 546 HB2 SER 546 -12.196 3.042 -43.219 335 HB3 SER 546 HB3 SER 546 -13.109 1.533 -43.434 336 HG SER 546 HG SER 546 -12.628 2.616 -45.440 337 H MET 547 H MET 547 -15.105 0.980 -41.525 338 HA MET 547 HA MET 547 -16.956 0.019 -43.427 339 HB2 MET 547 HB2 MET 547 -17.099 -0.413 -40.412 340 HB3 MET 547 HB3 MET 547 -17.732 -1.471 -41.675 341 HG2 MET 547 HG2 MET 547 -14.816 -0.917 -41.014 342 HG3 MET 547 HG3 MET 547 -15.696 -2.409 -40.760 343 HE1 MET 547 HE1 MET 547 -13.466 -3.500 -41.791 344 HE2 MET 547 HE2 MET 547 -12.875 -3.155 -43.429 345 HE3 MET 547 HE3 MET 547 -12.797 -1.899 -42.179 346 H GLU 548 H GLU 548 -19.149 0.223 -43.742 347 HA GLU 548 HA GLU 548 -20.430 2.670 -43.037 348 HB2 GLU 548 HB2 GLU 548 -21.502 0.019 -44.081 349 HB3 GLU 548 HB3 GLU 548 -22.523 1.434 -43.860 350 HG2 GLU 548 HG2 GLU 548 -20.050 1.440 -45.640 351 HG3 GLU 548 HG3 GLU 548 -21.668 1.043 -46.207 352 H GLY 549 H GLY 549 -21.824 3.266 -41.428 353 HA2 GLY 549 HA2 GLY 549 -23.415 2.903 -39.714 354 HA3 GLY 549 HA3 GLY 549 -22.959 1.191 -39.644 355 H LEU 550 H LEU 550 -20.008 2.550 -39.608 356 HA LEU 550 HA LEU 550 -19.976 2.879 -36.617 357 HB2 LEU 550 HB2 LEU 550 -17.887 1.827 -38.570 358 HB3 LEU 550 HB3 LEU 550 -17.512 2.339 -36.927 359 HG LEU 550 HG LEU 550 -19.034 0.654 -35.998 360 HD11 LEU 550 HD11 LEU 550 -20.513 0.093 -37.850 361 HD12 LEU 550 HD12 LEU 550 -19.632 -1.322 -37.306 362 HD13 LEU 550 HD13 LEU 550 -19.129 -0.496 -38.809 363 HD21 LEU 550 HD21 LEU 550 -16.696 0.296 -35.952 364 HD22 LEU 550 HD22 LEU 550 -16.630 -0.098 -37.692 365 HD23 LEU 550 HD23 LEU 550 -17.378 -1.222 -36.548 366 H ARG 551 H ARG 551 -20.152 4.828 -39.198 367 HA ARG 551 HA ARG 551 -17.791 6.466 -39.043 368 HB2 ARG 551 HB2 ARG 551 -20.585 7.096 -40.115 369 HB3 ARG 551 HB3 ARG 551 -19.140 8.091 -40.372 370 HG2 ARG 551 HG2 ARG 551 -18.007 6.101 -41.427 371 HG3 ARG 551 HG3 ARG 551 -19.540 5.217 -41.320 372 HD2 ARG 551 HD2 ARG 551 -20.631 6.962 -42.714 373 HD3 ARG 551 HD3 ARG 551 -19.091 7.812 -42.862 374 HE ARG 551 HE ARG 551 -19.942 5.374 -44.259 375 HH11 ARG 551 HH11 ARG 551 -16.997 7.156 -43.354 376 HH12 ARG 551 HH12 ARG 551 -16.083 6.373 -44.611 377 HH21 ARG 551 HH21 ARG 551 -18.786 4.446 -45.694 378 HH22 ARG 551 HH22 ARG 551 -17.068 4.770 -45.916 379 H HIS 552 H HIS 552 -20.418 6.167 -36.865 380 HA HIS 552 HA HIS 552 -20.378 8.962 -35.929 381 HB2 HIS 552 HB2 HIS 552 -22.083 8.215 -34.344 382 HB3 HIS 552 HB3 HIS 552 -22.483 7.660 -35.964 383 HD2 HIS 552 HD2 HIS 552 -21.689 6.380 -32.472 384 HE1 HIS 552 HE1 HIS 552 -21.797 2.896 -34.898 385 HE2 HIS 552 HE2 HIS 552 -21.688 3.764 -32.492 386 H HIS 553 H HIS 553 -18.329 6.330 -35.488 387 HA HIS 553 HA HIS 553 -17.923 6.396 -32.621 388 HB2 HIS 553 HB2 HIS 553 -16.207 5.367 -34.909 389 HB3 HIS 553 HB3 HIS 553 -15.800 5.149 -33.218 390 HD2 HIS 553 HD2 HIS 553 -19.457 4.601 -34.209 391 HE1 HIS 553 HE1 HIS 553 -17.737 0.749 -33.692 392 HE2 HIS 553 HE2 HIS 553 -19.925 2.015 -34.042 393 H SER 554 H SER 554 -16.143 7.233 -31.428 394 HA SER 554 HA SER 554 -14.244 9.046 -32.777 395 HB2 SER 554 HB2 SER 554 -14.739 10.910 -31.151 396 HB3 SER 554 HB3 SER 554 -16.020 10.598 -32.323 397 HG SER 554 HG SER 554 -17.011 10.845 -30.376 398 HA PRO 555 HA PRO 555 -11.643 7.391 -29.596 399 HB2 PRO 555 HB2 PRO 555 -9.532 9.123 -29.627 400 HB3 PRO 555 HB3 PRO 555 -9.933 8.088 -31.029 401 HG2 PRO 555 HG2 PRO 555 -10.693 10.994 -30.588 402 HG3 PRO 555 HG3 PRO 555 -9.949 10.254 -32.041 403 HD2 PRO 555 HD2 PRO 555 -12.643 10.690 -31.815 404 HD3 PRO 555 HD3 PRO 555 -11.977 9.283 -32.702 405 H LEU 556 H LEU 556 -10.715 7.803 -27.439 406 HA LEU 556 HA LEU 556 -12.417 9.414 -25.767 407 HB2 LEU 556 HB2 LEU 556 -10.863 8.772 -23.956 408 HB3 LEU 556 HB3 LEU 556 -11.398 7.417 -24.911 409 HG LEU 556 HG LEU 556 -9.201 7.248 -26.011 410 HD11 LEU 556 HD11 LEU 556 -8.205 9.396 -26.012 411 HD12 LEU 556 HD12 LEU 556 -7.264 8.498 -24.833 412 HD13 LEU 556 HD13 LEU 556 -8.511 9.643 -24.270 413 HD21 LEU 556 HD21 LEU 556 -9.066 7.362 -22.964 414 HD22 LEU 556 HD22 LEU 556 -8.027 6.392 -24.031 415 HD23 LEU 556 HD23 LEU 556 -9.753 6.026 -23.908 416 H MET 557 H MET 557 -11.410 10.997 -24.111 417 HA MET 557 HA MET 557 -9.937 13.080 -25.664 418 HB2 MET 557 HB2 MET 557 -12.139 13.737 -24.792 419 HB3 MET 557 HB3 MET 557 -11.675 13.268 -23.158 420 HG2 MET 557 HG2 MET 557 -11.590 15.717 -23.527 421 HG3 MET 557 HG3 MET 557 -10.064 15.045 -22.999 422 HE1 MET 557 HE1 MET 557 -10.957 16.595 -27.281 423 HE2 MET 557 HE2 MET 557 -11.635 15.066 -26.694 424 HE3 MET 557 HE3 MET 557 -12.110 16.602 -25.932 425 H ARG 558 H ARG 558 -7.885 13.558 -25.176 426 HA ARG 558 HA ARG 558 -6.721 12.513 -22.629 427 HB2 ARG 558 HB2 ARG 558 -5.448 13.493 -25.228 428 HB3 ARG 558 HB3 ARG 558 -4.531 13.099 -23.763 429 HG2 ARG 558 HG2 ARG 558 -5.410 10.793 -23.798 430 HG3 ARG 558 HG3 ARG 558 -6.337 11.151 -25.268 431 HD2 ARG 558 HD2 ARG 558 -4.306 11.572 -26.531 432 HD3 ARG 558 HD3 ARG 558 -3.306 11.418 -25.088 433 HE ARG 558 HE ARG 558 -4.512 9.256 -26.674 434 HH11 ARG 558 HH11 ARG 558 -2.963 9.974 -23.549 435 HH12 ARG 558 HH12 ARG 558 -2.501 8.299 -23.325 436 HH21 ARG 558 HH21 ARG 558 -3.842 7.174 -26.297 437 HH22 ARG 558 HH22 ARG 558 -2.850 6.817 -24.882 438 H ASN 559 H ASN 559 -6.988 13.951 -21.013 439 HA ASN 559 HA ASN 559 -5.744 16.586 -21.190 440 HB2 ASN 559 HB2 ASN 559 -8.060 16.905 -22.271 441 HB3 ASN 559 HB3 ASN 559 -8.760 16.474 -20.719 442 HD21 ASN 559 HD21 ASN 559 -9.783 18.619 -20.716 443 HD22 ASN 559 HD22 ASN 559 -8.824 20.031 -20.309 444 H GLN 560 H GLN 560 -5.864 17.758 -19.078 445 HA GLN 560 HA GLN 560 -6.559 15.990 -16.764 446 HB2 GLN 560 HB2 GLN 560 -3.953 17.543 -17.138 447 HB3 GLN 560 HB3 GLN 560 -4.476 16.798 -15.624 448 HG2 GLN 560 HG2 GLN 560 -4.505 14.561 -16.750 449 HG3 GLN 560 HG3 GLN 560 -3.861 15.314 -18.215 450 HE21 GLN 560 HE21 GLN 560 -1.673 16.483 -17.966 451 HE22 GLN 560 HE22 GLN 560 -0.554 15.786 -16.804 452 H LYS 561 H LYS 561 -7.436 17.045 -15.014 453 HA LYS 561 HA LYS 561 -8.379 19.779 -15.455 454 HB2 LYS 561 HB2 LYS 561 -9.719 17.922 -14.386 455 HB3 LYS 561 HB3 LYS 561 -8.656 18.014 -12.976 456 HG2 LYS 561 HG2 LYS 561 -9.370 20.365 -12.599 457 HG3 LYS 561 HG3 LYS 561 -10.375 20.299 -14.060 458 HD2 LYS 561 HD2 LYS 561 -11.734 18.492 -13.038 459 HD3 LYS 561 HD3 LYS 561 -10.715 18.547 -11.582 460 HE2 LYS 561 HE2 LYS 561 -11.355 20.924 -11.226 461 HE3 LYS 561 HE3 LYS 561 -12.365 20.874 -12.677 462 HZ1 LYS 561 HZ1 LYS 561 -13.725 19.172 -11.594 463 HZ2 LYS 561 HZ2 LYS 561 -13.680 20.519 -10.674 464 HZ3 LYS 561 HZ3 LYS 561 -12.792 19.217 -10.251 465 H ASN 562 H ASN 562 -7.716 21.655 -14.462 466 HA ASN 562 HA ASN 562 -5.059 21.756 -13.322 467 HB2 ASN 562 HB2 ASN 562 -6.180 23.575 -14.691 468 HB3 ASN 562 HB3 ASN 562 -7.214 23.922 -13.304 469 HD21 ASN 562 HD21 ASN 562 -3.807 23.884 -14.458 470 HD22 ASN 562 HD22 ASN 562 -3.238 25.038 -13.267 471 H ARG 563 H ARG 563 -4.416 22.336 -11.191 472 HA ARG 563 HA ARG 563 -6.468 22.319 -9.044 473 HB2 ARG 563 HB2 ARG 563 -5.784 19.932 -9.496 474 HB3 ARG 563 HB3 ARG 563 -4.125 20.357 -9.071 475 HG2 ARG 563 HG2 ARG 563 -4.829 20.888 -6.768 476 HG3 ARG 563 HG3 ARG 563 -6.532 20.626 -7.208 477 HD2 ARG 563 HD2 ARG 563 -6.021 18.258 -7.731 478 HD3 ARG 563 HD3 ARG 563 -4.320 18.530 -7.293 479 HE ARG 563 HE ARG 563 -5.947 19.345 -5.112 480 HH11 ARG 563 HH11 ARG 563 -5.030 16.316 -6.697 481 HH12 ARG 563 HH12 ARG 563 -5.255 15.383 -5.248 482 HH21 ARG 563 HH21 ARG 563 -6.219 18.083 -3.279 483 HH22 ARG 563 HH22 ARG 563 -5.920 16.372 -3.341 484 H ASP 564 H ASP 564 -5.773 23.241 -7.094 485 HA ASP 564 HA ASP 564 -4.465 24.480 -5.623 486 HB2 ASP 564 HB2 ASP 564 -2.599 22.833 -6.333 487 HB3 ASP 564 HB3 ASP 564 -2.003 24.107 -7.407 488 H SER 565 H SER 565 -3.329 25.168 -8.995 489 HA SER 565 HA SER 565 -3.202 28.045 -8.530 490 HB2 SER 565 HB2 SER 565 -3.222 26.450 -11.130 491 HB3 SER 565 HB3 SER 565 -2.798 28.163 -10.970 492 HG SER 565 HG SER 565 -0.925 26.825 -11.002 493 H SER 566 H SER 566 -5.781 25.857 -9.193 494 HA SER 566 HA SER 566 -7.486 27.683 -10.698 495 HB2 SER 566 HB2 SER 566 -9.250 25.956 -10.158 496 HB3 SER 566 HB3 SER 566 -7.824 25.316 -10.984 497 HG SER 566 HG SER 566 -8.535 24.032 -9.157 Start of MODEL 6 1 H1 GLY 502 H1 GLY 502 -9.146 6.770 -2.731 2 H2 GLY 502 H2 GLY 502 -9.012 5.190 -3.027 3 H3 GLY 502 H3 GLY 502 -8.776 6.268 -4.209 4 HA2 GLY 502 HA2 GLY 502 -6.952 5.865 -1.906 5 HA3 GLY 502 HA3 GLY 502 -6.667 5.257 -3.550 6 HA PRO 503 HA PRO 503 -4.983 9.667 -2.976 7 HB2 PRO 503 HB2 PRO 503 -2.304 9.193 -2.628 8 HB3 PRO 503 HB3 PRO 503 -3.477 9.109 -1.280 9 HG2 PRO 503 HG2 PRO 503 -2.381 6.814 -2.937 10 HG3 PRO 503 HG3 PRO 503 -2.472 6.942 -1.152 11 HD2 PRO 503 HD2 PRO 503 -4.365 5.626 -2.633 12 HD3 PRO 503 HD3 PRO 503 -4.790 6.534 -1.147 13 H VAL 504 H VAL 504 -3.462 10.826 -4.461 14 HA VAL 504 HA VAL 504 -3.706 9.903 -7.179 15 HB VAL 504 HB VAL 504 -1.949 12.092 -5.964 16 HG11 VAL 504 HG11 VAL 504 -2.701 11.582 -8.883 17 HG12 VAL 504 HG12 VAL 504 -1.934 13.065 -8.274 18 HG13 VAL 504 HG13 VAL 504 -1.065 11.535 -8.184 19 HG21 VAL 504 HG21 VAL 504 -4.359 12.503 -5.592 20 HG22 VAL 504 HG22 VAL 504 -3.722 13.628 -6.792 21 HG23 VAL 504 HG23 VAL 504 -4.685 12.231 -7.318 22 H GLN 505 H GLN 505 -2.440 8.629 -8.398 23 HA GLN 505 HA GLN 505 -0.053 7.426 -7.150 24 HB2 GLN 505 HB2 GLN 505 -1.430 6.879 -9.821 25 HB3 GLN 505 HB3 GLN 505 -0.123 5.920 -9.129 26 HG2 GLN 505 HG2 GLN 505 -2.927 6.239 -7.969 27 HG3 GLN 505 HG3 GLN 505 -2.281 4.822 -8.779 28 HE21 GLN 505 HE21 GLN 505 -2.619 6.409 -5.701 29 HE22 GLN 505 HE22 GLN 505 -1.583 5.291 -4.815 30 H ILE 506 H ILE 506 2.043 7.414 -8.057 31 HA ILE 506 HA ILE 506 2.782 9.845 -9.518 32 HB ILE 506 HB ILE 506 4.157 8.871 -7.698 33 HG12 ILE 506 HG12 ILE 506 6.371 9.063 -8.683 34 HG13 ILE 506 HG13 ILE 506 5.719 8.914 -10.310 35 HG21 ILE 506 HG21 ILE 506 5.537 6.897 -7.987 36 HG22 ILE 506 HG22 ILE 506 3.843 6.443 -8.182 37 HG23 ILE 506 HG23 ILE 506 4.889 6.612 -9.609 38 HD11 ILE 506 HD11 ILE 506 4.549 11.071 -10.066 39 HD12 ILE 506 HD12 ILE 506 5.048 11.166 -8.358 40 HD13 ILE 506 HD13 ILE 506 6.259 11.259 -9.651 41 H ASP 507 H ASP 507 2.071 6.515 -10.330 42 HA ASP 507 HA ASP 507 3.218 6.784 -13.060 43 HB2 ASP 507 HB2 ASP 507 1.881 4.480 -11.576 44 HB3 ASP 507 HB3 ASP 507 2.337 4.390 -13.268 45 HA PRO 508 HA PRO 508 -0.667 7.935 -14.870 46 HB2 PRO 508 HB2 PRO 508 -0.502 6.763 -17.366 47 HB3 PRO 508 HB3 PRO 508 0.480 8.169 -16.867 48 HG2 PRO 508 HG2 PRO 508 1.285 5.245 -16.856 49 HG3 PRO 508 HG3 PRO 508 2.192 6.642 -17.522 50 HD2 PRO 508 HD2 PRO 508 2.732 5.646 -15.062 51 HD3 PRO 508 HD3 PRO 508 2.774 7.410 -15.359 52 H TYR 509 H TYR 509 -2.778 7.167 -15.245 53 HA TYR 509 HA TYR 509 -3.307 4.520 -14.129 54 HB2 TYR 509 HB2 TYR 509 -5.145 6.715 -15.169 55 HB3 TYR 509 HB3 TYR 509 -5.709 5.232 -14.414 56 HD1 TYR 509 HD1 TYR 509 -4.032 8.478 -13.798 57 HD2 TYR 509 HD2 TYR 509 -5.442 4.812 -12.018 58 HE1 TYR 509 HE1 TYR 509 -3.786 9.482 -11.534 59 HE2 TYR 509 HE2 TYR 509 -5.224 5.819 -9.758 60 HH TYR 509 HH TYR 509 -4.711 7.709 -8.553 61 H LEU 510 H LEU 510 -2.662 5.614 -17.260 62 HA LEU 510 HA LEU 510 -4.360 3.550 -18.589 63 HB2 LEU 510 HB2 LEU 510 -2.669 5.853 -19.662 64 HB3 LEU 510 HB3 LEU 510 -3.352 4.614 -20.695 65 HG LEU 510 HG LEU 510 -4.657 6.625 -20.785 66 HD11 LEU 510 HD11 LEU 510 -6.259 4.439 -19.399 67 HD12 LEU 510 HD12 LEU 510 -5.779 4.439 -21.111 68 HD13 LEU 510 HD13 LEU 510 -6.875 5.687 -20.497 69 HD21 LEU 510 HD21 LEU 510 -5.474 6.281 -17.880 70 HD22 LEU 510 HD22 LEU 510 -5.956 7.552 -19.009 71 HD23 LEU 510 HD23 LEU 510 -4.272 7.463 -18.456 72 H GLU 511 H GLU 511 -3.354 2.098 -20.154 73 HA GLU 511 HA GLU 511 -0.486 1.482 -19.532 74 HB2 GLU 511 HB2 GLU 511 -2.783 -0.466 -20.039 75 HB3 GLU 511 HB3 GLU 511 -1.075 -0.916 -19.935 76 HG2 GLU 511 HG2 GLU 511 -0.990 -0.023 -17.607 77 HG3 GLU 511 HG3 GLU 511 -2.717 0.337 -17.691 78 H ASP 512 H ASP 512 0.781 0.676 -21.262 79 HA ASP 512 HA ASP 512 -0.044 1.636 -23.909 80 HB2 ASP 512 HB2 ASP 512 2.483 0.208 -22.944 81 HB3 ASP 512 HB3 ASP 512 2.246 0.850 -24.573 82 H SER 513 H SER 513 -1.955 -0.031 -23.666 83 HA SER 513 HA SER 513 -1.420 -2.826 -24.077 84 HB2 SER 513 HB2 SER 513 -3.581 -1.718 -23.251 85 HB3 SER 513 HB3 SER 513 -3.932 -1.349 -24.951 86 HG SER 513 HG SER 513 -4.841 -3.374 -24.205 87 H LEU 514 H LEU 514 -1.231 -4.069 -25.903 88 HA LEU 514 HA LEU 514 -0.213 -2.819 -28.266 89 HB2 LEU 514 HB2 LEU 514 0.396 -5.103 -27.403 90 HB3 LEU 514 HB3 LEU 514 -1.207 -5.665 -27.855 91 HG LEU 514 HG LEU 514 -0.655 -5.127 -30.261 92 HD11 LEU 514 HD11 LEU 514 1.179 -3.470 -29.819 93 HD12 LEU 514 HD12 LEU 514 1.677 -4.757 -30.906 94 HD13 LEU 514 HD13 LEU 514 2.192 -4.785 -29.204 95 HD21 LEU 514 HD21 LEU 514 -0.478 -7.406 -29.361 96 HD22 LEU 514 HD22 LEU 514 1.179 -7.081 -28.804 97 HD23 LEU 514 HD23 LEU 514 0.809 -7.112 -30.538 98 H CYS 515 H CYS 515 -1.111 -2.355 -30.243 99 HA CYS 515 HA CYS 515 -3.963 -2.044 -30.498 100 HB2 CYS 515 HB2 CYS 515 -2.323 -0.681 -31.757 101 HB3 CYS 515 HB3 CYS 515 -1.769 -2.130 -32.597 102 H HIS 516 H HIS 516 -5.491 -3.470 -31.024 103 HA HIS 516 HA HIS 516 -4.814 -6.244 -31.286 104 HB2 HIS 516 HB2 HIS 516 -7.481 -4.831 -31.708 105 HB3 HIS 516 HB3 HIS 516 -7.263 -6.566 -31.445 106 HD2 HIS 516 HD2 HIS 516 -6.940 -7.413 -28.966 107 HE1 HIS 516 HE1 HIS 516 -6.940 -3.648 -26.981 108 HE2 HIS 516 HE2 HIS 516 -6.973 -6.173 -26.648 109 H ILE 517 H ILE 517 -5.139 -3.767 -33.690 110 HA ILE 517 HA ILE 517 -6.031 -5.565 -35.848 111 HB ILE 517 HB ILE 517 -5.100 -2.653 -35.872 112 HG12 ILE 517 HG12 ILE 517 -7.151 -2.773 -34.660 113 HG13 ILE 517 HG13 ILE 517 -7.519 -2.163 -36.263 114 HG21 ILE 517 HG21 ILE 517 -6.173 -2.554 -38.138 115 HG22 ILE 517 HG22 ILE 517 -4.704 -3.524 -38.086 116 HG23 ILE 517 HG23 ILE 517 -6.290 -4.327 -38.120 117 HD11 ILE 517 HD11 ILE 517 -9.255 -3.701 -35.666 118 HD12 ILE 517 HD12 ILE 517 -8.275 -4.519 -36.893 119 HD13 ILE 517 HD13 ILE 517 -8.102 -4.946 -35.176 120 H CYS 518 H CYS 518 -3.096 -3.472 -35.437 121 HA CYS 518 HA CYS 518 -1.697 -5.030 -37.489 122 HB2 CYS 518 HB2 CYS 518 0.105 -3.392 -37.142 123 HB3 CYS 518 HB3 CYS 518 -1.459 -2.633 -37.448 124 H SER 519 H SER 519 -1.792 -4.922 -33.969 125 HA SER 519 HA SER 519 -0.703 -6.152 -32.336 126 HB2 SER 519 HB2 SER 519 -0.174 -8.094 -34.642 127 HB3 SER 519 HB3 SER 519 -0.115 -8.468 -32.917 128 HG SER 519 HG SER 519 -2.130 -9.056 -33.886 129 H SER 520 H SER 520 0.961 -4.217 -34.054 130 HA SER 520 HA SER 520 3.675 -5.394 -33.489 131 HB2 SER 520 HB2 SER 520 2.842 -3.408 -35.652 132 HB3 SER 520 HB3 SER 520 4.492 -3.976 -35.358 133 HG SER 520 HG SER 520 2.265 -5.633 -36.074 134 H GLN 521 H GLN 521 1.468 -2.845 -32.727 135 HA GLN 521 HA GLN 521 3.478 -1.448 -31.092 136 HB2 GLN 521 HB2 GLN 521 2.069 -0.094 -33.442 137 HB3 GLN 521 HB3 GLN 521 2.792 0.800 -32.123 138 HG2 GLN 521 HG2 GLN 521 5.021 -0.260 -32.692 139 HG3 GLN 521 HG3 GLN 521 4.256 -0.911 -34.154 140 HE21 GLN 521 HE21 GLN 521 3.181 0.774 -35.653 141 HE22 GLN 521 HE22 GLN 521 3.988 2.331 -35.747 142 HA PRO 522 HA PRO 522 -0.225 -0.739 -28.714 143 HB2 PRO 522 HB2 PRO 522 0.476 1.373 -27.129 144 HB3 PRO 522 HB3 PRO 522 1.219 -0.241 -26.964 145 HG2 PRO 522 HG2 PRO 522 2.333 2.156 -28.454 146 HG3 PRO 522 HG3 PRO 522 3.174 1.088 -27.287 147 HD2 PRO 522 HD2 PRO 522 3.365 0.760 -30.000 148 HD3 PRO 522 HD3 PRO 522 3.397 -0.630 -28.872 149 H GLY 523 H GLY 523 -2.143 0.375 -28.925 150 HA2 GLY 523 HA2 GLY 523 -2.187 2.486 -30.988 151 HA3 GLY 523 HA3 GLY 523 -3.582 1.645 -30.300 152 HA PRO 524 HA PRO 524 -2.341 5.588 -27.710 153 HB2 PRO 524 HB2 PRO 524 -2.284 7.820 -29.323 154 HB3 PRO 524 HB3 PRO 524 -0.851 6.801 -29.008 155 HG2 PRO 524 HG2 PRO 524 -2.712 6.700 -31.397 156 HG3 PRO 524 HG3 PRO 524 -0.919 6.750 -31.392 157 HD2 PRO 524 HD2 PRO 524 -2.305 4.428 -31.629 158 HD3 PRO 524 HD3 PRO 524 -0.770 4.497 -30.710 159 H PHE 525 H PHE 525 -4.596 5.110 -30.371 160 HA PHE 525 HA PHE 525 -6.605 6.923 -29.123 161 HB2 PHE 525 HB2 PHE 525 -6.710 5.390 -31.758 162 HB3 PHE 525 HB3 PHE 525 -7.883 6.571 -31.193 163 HD1 PHE 525 HD1 PHE 525 -6.864 8.962 -30.546 164 HD2 PHE 525 HD2 PHE 525 -4.991 6.141 -33.226 165 HE1 PHE 525 HE1 PHE 525 -5.537 10.797 -31.556 166 HE2 PHE 525 HE2 PHE 525 -3.644 7.975 -34.194 167 HZ PHE 525 HZ PHE 525 -3.918 10.306 -33.381 168 H PHE 526 H PHE 526 -8.571 6.189 -28.347 169 HA PHE 526 HA PHE 526 -8.995 3.229 -28.287 170 HB2 PHE 526 HB2 PHE 526 -8.163 3.763 -26.092 171 HB3 PHE 526 HB3 PHE 526 -9.150 5.219 -25.990 172 HD1 PHE 526 HD2 PHE 526 -9.369 1.478 -26.129 173 HD2 PHE 526 HD1 PHE 526 -11.340 5.147 -25.055 174 HE1 PHE 526 HE2 PHE 526 -11.197 0.178 -25.063 175 HE2 PHE 526 HE1 PHE 526 -13.185 3.851 -24.009 176 HZ PHE 526 HZ PHE 526 -13.108 1.364 -24.005 177 H CYS 527 H CYS 527 -11.003 2.581 -28.807 178 HA CYS 527 HA CYS 527 -13.102 4.691 -29.191 179 HB2 CYS 527 HB2 CYS 527 -12.366 3.257 -31.170 180 HB3 CYS 527 HB3 CYS 527 -13.020 1.867 -30.317 181 H ARG 528 H ARG 528 -14.826 4.698 -27.829 182 HA ARG 528 HA ARG 528 -14.909 2.629 -25.735 183 HB2 ARG 528 HB2 ARG 528 -16.320 4.135 -24.552 184 HB3 ARG 528 HB3 ARG 528 -14.997 5.070 -25.209 185 HG2 ARG 528 HG2 ARG 528 -17.737 4.925 -26.518 186 HG3 ARG 528 HG3 ARG 528 -17.336 6.071 -25.242 187 HD2 ARG 528 HD2 ARG 528 -15.622 7.082 -26.740 188 HD3 ARG 528 HD3 ARG 528 -16.137 5.968 -28.028 189 HE ARG 528 HE ARG 528 -18.439 7.255 -27.007 190 HH11 ARG 528 HH11 ARG 528 -15.589 8.172 -28.942 191 HH12 ARG 528 HH12 ARG 528 -16.439 9.475 -29.695 192 HH21 ARG 528 HH21 ARG 528 -19.452 8.960 -28.063 193 HH22 ARG 528 HH22 ARG 528 -18.566 9.906 -29.223 194 H ASP 529 H ASP 529 -16.456 3.054 -28.743 195 HA ASP 529 HA ASP 529 -19.161 2.378 -28.162 196 HB2 ASP 529 HB2 ASP 529 -18.123 3.243 -30.374 197 HB3 ASP 529 HB3 ASP 529 -17.681 1.551 -30.684 198 H GLN 530 H GLN 530 -20.303 0.408 -28.221 199 HA GLN 530 HA GLN 530 -19.018 -1.865 -27.062 200 HB2 GLN 530 HB2 GLN 530 -21.455 -1.260 -26.904 201 HB3 GLN 530 HB3 GLN 530 -21.665 -1.764 -28.585 202 HG2 GLN 530 HG2 GLN 530 -21.050 -4.080 -27.981 203 HG3 GLN 530 HG3 GLN 530 -20.676 -3.573 -26.328 204 HE21 GLN 530 HE21 GLN 530 -23.406 -3.759 -28.714 205 HE22 GLN 530 HE22 GLN 530 -24.634 -3.946 -27.471 206 H VAL 531 H VAL 531 -19.504 -0.877 -30.434 207 HA VAL 531 HA VAL 531 -19.107 -3.475 -31.671 208 HB VAL 531 HB VAL 531 -18.727 -0.613 -32.598 209 HG11 VAL 531 HG11 VAL 531 -17.160 -1.750 -33.956 210 HG12 VAL 531 HG12 VAL 531 -18.291 -3.103 -34.266 211 HG13 VAL 531 HG13 VAL 531 -18.611 -1.487 -34.930 212 HG21 VAL 531 HG21 VAL 531 -21.088 -1.369 -32.342 213 HG22 VAL 531 HG22 VAL 531 -20.656 -1.019 -34.032 214 HG23 VAL 531 HG23 VAL 531 -20.761 -2.703 -33.472 215 H CYS 532 H CYS 532 -16.891 -0.918 -30.530 216 HA CYS 532 HA CYS 532 -14.555 -2.458 -31.572 217 HB2 CYS 532 HB2 CYS 532 -14.882 0.440 -30.710 218 HB3 CYS 532 HB3 CYS 532 -13.333 -0.282 -31.186 219 H PHE 533 H PHE 533 -14.694 -0.113 -28.854 220 HA PHE 533 HA PHE 533 -13.888 -0.227 -26.696 221 HB2 PHE 533 HB2 PHE 533 -15.815 -2.003 -26.742 222 HB3 PHE 533 HB3 PHE 533 -14.537 -3.199 -26.638 223 HD1 PHE 533 HD1 PHE 533 -15.575 0.078 -25.048 224 HD2 PHE 533 HD2 PHE 533 -13.953 -3.877 -24.431 225 HE1 PHE 533 HE1 PHE 533 -15.557 0.463 -22.598 226 HE2 PHE 533 HE2 PHE 533 -13.934 -3.481 -21.980 227 HZ PHE 533 HZ PHE 533 -14.735 -1.313 -21.060 228 H LYS 534 H LYS 534 -11.920 -0.458 -28.718 229 HA LYS 534 HA LYS 534 -9.844 -2.126 -27.369 230 HB2 LYS 534 HB2 LYS 534 -10.814 -2.386 -30.239 231 HB3 LYS 534 HB3 LYS 534 -9.150 -2.786 -29.843 232 HG2 LYS 534 HG2 LYS 534 -9.892 -4.410 -28.147 233 HG3 LYS 534 HG3 LYS 534 -11.578 -4.071 -28.517 234 HD2 LYS 534 HD2 LYS 534 -9.591 -5.087 -30.577 235 HD3 LYS 534 HD3 LYS 534 -10.553 -6.162 -29.576 236 HE2 LYS 534 HE2 LYS 534 -11.725 -4.069 -31.468 237 HE3 LYS 534 HE3 LYS 534 -11.441 -5.759 -31.897 238 HZ1 LYS 534 HZ1 LYS 534 -13.292 -4.798 -29.787 239 HZ2 LYS 534 HZ2 LYS 534 -12.943 -6.384 -30.048 240 HZ3 LYS 534 HZ3 LYS 534 -13.707 -5.510 -31.198 241 H TYR 535 H TYR 535 -7.628 -1.734 -28.512 242 HA TYR 535 HA TYR 535 -7.262 1.217 -28.721 243 HB2 TYR 535 HB2 TYR 535 -5.426 -1.136 -28.148 244 HB3 TYR 535 HB3 TYR 535 -4.772 0.398 -28.680 245 HD1 TYR 535 HD1 TYR 535 -7.678 0.070 -26.303 246 HD2 TYR 535 HD2 TYR 535 -3.481 0.915 -26.776 247 HE1 TYR 535 HE1 TYR 535 -7.645 1.051 -24.064 248 HE2 TYR 535 HE2 TYR 535 -3.403 1.840 -24.484 249 HH TYR 535 HH TYR 535 -6.339 2.025 -22.406 250 H PHE 536 H PHE 536 -6.272 2.235 -30.482 251 HA PHE 536 HA PHE 536 -5.625 0.568 -32.869 252 HB2 PHE 536 HB2 PHE 536 -7.546 2.912 -32.890 253 HB3 PHE 536 HB3 PHE 536 -7.029 2.011 -34.296 254 HD1 PHE 536 HD1 PHE 536 -7.892 -0.269 -34.741 255 HD2 PHE 536 HD2 PHE 536 -9.280 2.067 -31.397 256 HE1 PHE 536 HE1 PHE 536 -9.848 -1.782 -34.490 257 HE2 PHE 536 HE2 PHE 536 -11.222 0.556 -31.148 258 HZ PHE 536 HZ PHE 536 -11.515 -1.377 -32.694 259 H CYS 537 H CYS 537 -4.269 1.561 -34.391 260 HA CYS 537 HA CYS 537 -2.855 4.023 -33.508 261 HB2 CYS 537 HB2 CYS 537 -2.269 2.410 -36.015 262 HB3 CYS 537 HB3 CYS 537 -1.201 3.490 -35.125 263 H ARG 538 H ARG 538 -2.324 5.578 -35.470 264 HA ARG 538 HA ARG 538 -4.739 6.826 -36.264 265 HB2 ARG 538 HB2 ARG 538 -3.293 8.098 -37.894 266 HB3 ARG 538 HB3 ARG 538 -2.743 8.106 -36.231 267 HG2 ARG 538 HG2 ARG 538 -1.010 6.396 -36.783 268 HG3 ARG 538 HG3 ARG 538 -1.542 6.436 -38.473 269 HD2 ARG 538 HD2 ARG 538 0.403 7.806 -38.275 270 HD3 ARG 538 HD3 ARG 538 -0.971 8.855 -38.587 271 HE ARG 538 HE ARG 538 0.480 8.485 -35.991 272 HH11 ARG 538 HH11 ARG 538 -1.760 10.504 -37.859 273 HH12 ARG 538 HH12 ARG 538 -1.740 11.768 -36.666 274 HH21 ARG 538 HH22 ARG 538 0.456 10.153 -34.515 275 HH22 ARG 538 HH21 ARG 538 -0.500 11.573 -34.810 276 H SER 539 H SER 539 -2.665 4.547 -38.133 277 HA SER 539 HA SER 539 -4.319 4.685 -40.522 278 HB2 SER 539 HB2 SER 539 -2.305 2.544 -39.715 279 HB3 SER 539 HB3 SER 539 -2.889 2.886 -41.349 280 HG SER 539 HG SER 539 -1.780 4.845 -41.322 281 H CYS 540 H CYS 540 -4.054 2.426 -37.749 282 HA CYS 540 HA CYS 540 -5.843 0.429 -38.806 283 HB2 CYS 540 HB2 CYS 540 -5.259 1.047 -35.895 284 HB3 CYS 540 HB3 CYS 540 -5.808 -0.486 -36.555 285 H TRP 541 H TRP 541 -6.303 3.368 -36.848 286 HA TRP 541 HA TRP 541 -9.041 2.899 -36.124 287 HB2 TRP 541 HB2 TRP 541 -7.609 4.552 -34.987 288 HB3 TRP 541 HB3 TRP 541 -7.438 5.481 -36.467 289 HD1 TRP 541 HD1 TRP 541 -9.666 6.744 -37.361 290 HE1 TRP 541 HE1 TRP 541 -11.799 7.566 -36.177 291 HE3 TRP 541 HE3 TRP 541 -8.942 4.553 -32.809 292 HZ2 TRP 541 HZ2 TRP 541 -13.194 6.967 -33.688 293 HZ3 TRP 541 HZ3 TRP 541 -10.631 4.761 -31.028 294 HH2 TRP 541 HH2 TRP 541 -12.798 5.901 -31.472 295 H HIS 542 H HIS 542 -7.499 4.724 -38.818 296 HA HIS 542 HA HIS 542 -9.888 5.582 -40.097 297 HB2 HIS 542 HB2 HIS 542 -7.662 6.450 -40.674 298 HB3 HIS 542 HB3 HIS 542 -7.160 4.865 -41.267 299 HD2 HIS 542 HD2 HIS 542 -9.709 7.681 -42.125 300 HE1 HIS 542 HE1 HIS 542 -9.065 5.427 -45.679 301 HE2 HIS 542 HE2 HIS 542 -10.226 7.471 -44.697 302 H TRP 543 H TRP 543 -7.953 2.560 -40.480 303 HA TRP 543 HA TRP 543 -9.502 1.407 -42.577 304 HB2 TRP 543 HB2 TRP 543 -7.310 0.550 -41.976 305 HB3 TRP 543 HB3 TRP 543 -7.840 0.160 -40.350 306 HD1 TRP 543 HD1 TRP 543 -8.104 -1.083 -43.942 307 HE1 TRP 543 HE1 TRP 543 -8.945 -3.506 -43.973 308 HE3 TRP 543 HE3 TRP 543 -9.185 -1.632 -38.959 309 HZ2 TRP 543 HZ2 TRP 543 -10.034 -5.412 -42.093 310 HZ3 TRP 543 HZ3 TRP 543 -10.186 -3.740 -38.124 311 HH2 TRP 543 HH2 TRP 543 -10.605 -5.637 -39.673 312 H ARG 544 H ARG 544 -9.799 1.117 -38.984 313 HA ARG 544 HA ARG 544 -11.885 -0.837 -39.036 314 HB2 ARG 544 HB2 ARG 544 -10.470 -0.400 -37.063 315 HB3 ARG 544 HB3 ARG 544 -11.140 1.218 -36.898 316 HG2 ARG 544 HG2 ARG 544 -12.123 -0.300 -35.261 317 HG3 ARG 544 HG3 ARG 544 -13.366 0.273 -36.366 318 HD2 ARG 544 HD2 ARG 544 -13.260 -1.854 -37.621 319 HD3 ARG 544 HD3 ARG 544 -11.943 -2.417 -36.570 320 HE ARG 544 HE ARG 544 -14.157 -1.713 -34.940 321 HH11 ARG 544 HH11 ARG 544 -13.376 -4.188 -37.347 322 HH12 ARG 544 HH12 ARG 544 -14.442 -5.357 -36.634 323 HH21 ARG 544 HH21 ARG 544 -15.517 -3.314 -34.045 324 HH22 ARG 544 HH22 ARG 544 -15.633 -4.861 -34.815 325 H HIS 545 H HIS 545 -12.022 2.739 -38.654 326 HA HIS 545 HA HIS 545 -14.943 2.634 -38.386 327 HB2 HIS 545 HB2 HIS 545 -12.986 4.988 -38.413 328 HB3 HIS 545 HB3 HIS 545 -14.705 5.081 -37.989 329 HD1 HIS 545 HD1 HIS 545 -11.406 4.148 -36.438 330 HD2 HIS 545 HD2 HIS 545 -15.484 3.384 -35.865 331 HE1 HIS 545 HE1 HIS 545 -11.618 3.113 -34.112 332 H SER 546 H SER 546 -13.022 2.516 -41.105 333 HA SER 546 HA SER 546 -14.472 4.291 -42.909 334 HB2 SER 546 HB2 SER 546 -12.774 1.812 -43.288 335 HB3 SER 546 HB3 SER 546 -13.572 2.616 -44.643 336 HG SER 546 HG SER 546 -11.622 3.761 -42.909 337 H MET 547 H MET 547 -14.957 1.040 -41.594 338 HA MET 547 HA MET 547 -16.882 0.040 -43.423 339 HB2 MET 547 HB2 MET 547 -16.649 -0.421 -40.413 340 HB3 MET 547 HB3 MET 547 -17.605 -1.405 -41.517 341 HG2 MET 547 HG2 MET 547 -14.579 -1.071 -41.529 342 HG3 MET 547 HG3 MET 547 -15.470 -2.484 -41.005 343 HE1 MET 547 HE1 MET 547 -16.651 -4.202 -42.551 344 HE2 MET 547 HE2 MET 547 -17.686 -2.948 -43.275 345 HE3 MET 547 HE3 MET 547 -16.778 -4.058 -44.315 346 H GLU 548 H GLU 548 -19.072 0.250 -43.653 347 HA GLU 548 HA GLU 548 -20.347 2.639 -42.732 348 HB2 GLU 548 HB2 GLU 548 -22.369 1.711 -43.753 349 HB3 GLU 548 HB3 GLU 548 -20.980 1.519 -44.813 350 HG2 GLU 548 HG2 GLU 548 -20.815 -0.892 -44.120 351 HG3 GLU 548 HG3 GLU 548 -22.266 -0.679 -43.133 352 H GLY 549 H GLY 549 -22.017 2.982 -41.221 353 HA2 GLY 549 HA2 GLY 549 -23.495 2.368 -39.469 354 HA3 GLY 549 HA3 GLY 549 -22.756 0.756 -39.405 355 H LEU 550 H LEU 550 -20.035 2.423 -39.448 356 HA LEU 550 HA LEU 550 -19.995 2.920 -36.485 357 HB2 LEU 550 HB2 LEU 550 -17.779 2.064 -38.401 358 HB3 LEU 550 HB3 LEU 550 -17.533 2.574 -36.733 359 HG LEU 550 HG LEU 550 -18.872 0.698 -35.906 360 HD11 LEU 550 HD11 LEU 550 -19.156 -1.311 -37.313 361 HD12 LEU 550 HD12 LEU 550 -18.768 -0.341 -38.760 362 HD13 LEU 550 HD13 LEU 550 -20.224 -0.008 -37.784 363 HD21 LEU 550 HD21 LEU 550 -16.999 -0.971 -36.410 364 HD22 LEU 550 HD22 LEU 550 -16.501 0.609 -35.798 365 HD23 LEU 550 HD23 LEU 550 -16.352 0.225 -37.537 366 H ARG 551 H ARG 551 -20.568 4.753 -39.000 367 HA ARG 551 HA ARG 551 -18.399 6.612 -39.222 368 HB2 ARG 551 HB2 ARG 551 -21.384 6.964 -39.763 369 HB3 ARG 551 HB3 ARG 551 -20.128 8.112 -40.239 370 HG2 ARG 551 HG2 ARG 551 -19.034 6.338 -41.626 371 HG3 ARG 551 HG3 ARG 551 -20.325 5.215 -41.182 372 HD2 ARG 551 HD2 ARG 551 -20.836 6.075 -43.352 373 HD3 ARG 551 HD3 ARG 551 -21.997 6.763 -42.204 374 HE ARG 551 HE ARG 551 -19.699 8.486 -42.576 375 HH11 ARG 551 HH11 ARG 551 -22.713 7.585 -44.199 376 HH12 ARG 551 HH12 ARG 551 -22.809 9.096 -45.053 377 HH21 ARG 551 HH21 ARG 551 -19.891 10.415 -43.700 378 HH22 ARG 551 HH22 ARG 551 -21.230 10.669 -44.777 379 H HIS 552 H HIS 552 -20.757 6.170 -36.711 380 HA HIS 552 HA HIS 552 -20.709 8.958 -35.783 381 HB2 HIS 552 HB2 HIS 552 -22.209 8.135 -34.017 382 HB3 HIS 552 HB3 HIS 552 -22.757 7.610 -35.602 383 HD2 HIS 552 HD2 HIS 552 -21.676 6.271 -32.235 384 HE1 HIS 552 HE1 HIS 552 -21.836 2.837 -34.729 385 HE2 HIS 552 HE2 HIS 552 -21.618 3.658 -32.313 386 H HIS 553 H HIS 553 -18.489 6.454 -35.537 387 HA HIS 553 HA HIS 553 -17.802 6.657 -32.705 388 HB2 HIS 553 HB2 HIS 553 -16.311 5.483 -35.082 389 HB3 HIS 553 HB3 HIS 553 -15.784 5.341 -33.418 390 HD2 HIS 553 HD2 HIS 553 -19.500 4.704 -34.230 391 HE1 HIS 553 HE1 HIS 553 -17.694 0.913 -33.580 392 HE2 HIS 553 HE2 HIS 553 -19.912 2.123 -33.929 393 H SER 554 H SER 554 -15.988 7.655 -31.762 394 HA SER 554 HA SER 554 -14.136 9.206 -33.448 395 HB2 SER 554 HB2 SER 554 -14.432 11.288 -32.081 396 HB3 SER 554 HB3 SER 554 -15.813 10.894 -33.102 397 HG SER 554 HG SER 554 -16.476 11.554 -31.034 398 HA PRO 555 HA PRO 555 -11.463 7.734 -30.280 399 HB2 PRO 555 HB2 PRO 555 -9.176 9.135 -30.784 400 HB3 PRO 555 HB3 PRO 555 -9.854 7.970 -31.956 401 HG2 PRO 555 HG2 PRO 555 -10.135 10.986 -31.954 402 HG3 PRO 555 HG3 PRO 555 -9.741 9.904 -33.324 403 HD2 PRO 555 HD2 PRO 555 -12.286 10.850 -32.800 404 HD3 PRO 555 HD3 PRO 555 -11.962 9.278 -33.596 405 H LEU 556 H LEU 556 -11.237 8.069 -28.125 406 HA LEU 556 HA LEU 556 -11.794 10.681 -26.961 407 HB2 LEU 556 HB2 LEU 556 -10.982 7.968 -25.881 408 HB3 LEU 556 HB3 LEU 556 -11.118 9.359 -24.810 409 HG LEU 556 HG LEU 556 -13.427 8.758 -26.675 410 HD11 LEU 556 HD11 LEU 556 -14.367 7.284 -24.876 411 HD12 LEU 556 HD12 LEU 556 -12.758 7.256 -24.125 412 HD13 LEU 556 HD13 LEU 556 -12.977 6.624 -25.783 413 HD21 LEU 556 HD21 LEU 556 -13.291 9.842 -23.824 414 HD22 LEU 556 HD22 LEU 556 -14.718 9.799 -24.885 415 HD23 LEU 556 HD23 LEU 556 -13.340 10.849 -25.285 416 H MET 557 H MET 557 -10.393 11.888 -25.571 417 HA MET 557 HA MET 557 -7.613 12.008 -26.529 418 HB2 MET 557 HB2 MET 557 -9.136 13.632 -24.436 419 HB3 MET 557 HB3 MET 557 -7.473 13.952 -24.941 420 HG2 MET 557 HG2 MET 557 -9.907 14.017 -26.771 421 HG3 MET 557 HG3 MET 557 -9.110 15.419 -26.069 422 HE1 MET 557 HE1 MET 557 -9.789 14.989 -29.169 423 HE2 MET 557 HE2 MET 557 -9.063 16.465 -28.492 424 HE3 MET 557 HE3 MET 557 -8.323 15.675 -29.901 425 H ARG 558 H ARG 558 -5.954 10.944 -25.644 426 HA ARG 558 HA ARG 558 -6.325 9.346 -23.235 427 HB2 ARG 558 HB2 ARG 558 -4.995 8.652 -25.234 428 HB3 ARG 558 HB3 ARG 558 -3.784 9.879 -24.853 429 HG2 ARG 558 HG2 ARG 558 -3.250 8.770 -22.740 430 HG3 ARG 558 HG3 ARG 558 -4.595 7.636 -22.940 431 HD2 ARG 558 HD2 ARG 558 -2.207 7.837 -24.825 432 HD3 ARG 558 HD3 ARG 558 -2.317 6.692 -23.492 433 HE ARG 558 HE ARG 558 -3.904 6.695 -26.005 434 HH11 ARG 558 HH21 ARG 558 -3.316 5.022 -22.946 435 HH12 ARG 558 HH22 ARG 558 -4.323 3.673 -23.390 436 HH21 ARG 558 HH11 ARG 558 -5.051 4.914 -26.561 437 HH22 ARG 558 HH12 ARG 558 -5.205 3.570 -25.470 438 H ASN 559 H ASN 559 -5.649 9.734 -21.184 439 HA ASN 559 HA ASN 559 -4.851 12.411 -20.419 440 HB2 ASN 559 HB2 ASN 559 -6.260 10.943 -18.992 441 HB3 ASN 559 HB3 ASN 559 -4.916 9.813 -18.815 442 HD21 ASN 559 HD21 ASN 559 -5.891 13.228 -18.139 443 HD22 ASN 559 HD22 ASN 559 -4.843 13.385 -16.741 444 H GLN 560 H GLN 560 -2.873 13.146 -19.575 445 HA GLN 560 HA GLN 560 -0.543 11.321 -19.560 446 HB2 GLN 560 HB2 GLN 560 -0.752 12.245 -21.906 447 HB3 GLN 560 HB3 GLN 560 -0.570 13.870 -21.246 448 HG2 GLN 560 HG2 GLN 560 1.707 13.284 -20.439 449 HG3 GLN 560 HG3 GLN 560 1.492 11.625 -21.010 450 HE21 GLN 560 HE21 GLN 560 1.732 15.056 -22.117 451 HE22 GLN 560 HE22 GLN 560 2.278 14.629 -23.732 452 H LYS 561 H LYS 561 1.142 12.037 -18.227 453 HA LYS 561 HA LYS 561 0.422 13.833 -16.102 454 HB2 LYS 561 HB2 LYS 561 3.086 12.599 -16.937 455 HB3 LYS 561 HB3 LYS 561 2.863 13.562 -15.469 456 HG2 LYS 561 HG2 LYS 561 1.252 11.965 -14.574 457 HG3 LYS 561 HG3 LYS 561 1.266 11.032 -16.074 458 HD2 LYS 561 HD2 LYS 561 2.594 9.932 -14.346 459 HD3 LYS 561 HD3 LYS 561 3.596 10.393 -15.731 460 HE2 LYS 561 HE2 LYS 561 4.428 12.373 -14.496 461 HE3 LYS 561 HE3 LYS 561 3.372 11.981 -13.130 462 HZ1 LYS 561 HZ1 LYS 561 4.591 9.930 -12.828 463 HZ2 LYS 561 HZ2 LYS 561 5.641 11.189 -12.779 464 HZ3 LYS 561 HZ3 LYS 561 5.569 10.243 -14.113 465 H ASN 562 H ASN 562 0.898 15.955 -15.709 466 HA ASN 562 HA ASN 562 2.893 17.437 -17.234 467 HB2 ASN 562 HB2 ASN 562 0.962 17.343 -18.868 468 HB3 ASN 562 HB3 ASN 562 -0.057 18.108 -17.656 469 HD21 ASN 562 HD21 ASN 562 -0.472 19.980 -18.950 470 HD22 ASN 562 HD22 ASN 562 0.795 21.140 -19.313 471 H ARG 563 H ARG 563 3.351 19.484 -16.314 472 HA ARG 563 HA ARG 563 1.671 20.593 -14.188 473 HB2 ARG 563 HB2 ARG 563 2.901 18.729 -13.003 474 HB3 ARG 563 HB3 ARG 563 4.427 19.490 -13.466 475 HG2 ARG 563 HG2 ARG 563 3.724 21.542 -12.174 476 HG3 ARG 563 HG3 ARG 563 2.243 20.709 -11.712 477 HD2 ARG 563 HD2 ARG 563 3.849 20.622 -9.888 478 HD3 ARG 563 HD3 ARG 563 3.572 19.002 -10.518 479 HE ARG 563 HE ARG 563 5.788 18.853 -11.078 480 HH11 ARG 563 HH11 ARG 563 5.162 22.341 -10.793 481 HH12 ARG 563 HH12 ARG 563 6.856 22.721 -10.921 482 HH21 ARG 563 HH21 ARG 563 7.936 19.460 -11.244 483 HH22 ARG 563 HH22 ARG 563 8.373 21.141 -11.144 484 H ASP 564 H ASP 564 1.995 22.755 -14.014 485 HA ASP 564 HA ASP 564 3.972 24.059 -15.739 486 HB2 ASP 564 HB2 ASP 564 1.697 24.988 -15.402 487 HB3 ASP 564 HB3 ASP 564 2.022 25.188 -13.679 488 H SER 565 H SER 565 5.837 25.125 -15.127 489 HA SER 565 HA SER 565 6.549 25.416 -12.284 490 HB2 SER 565 HB2 SER 565 7.117 22.971 -13.253 491 HB3 SER 565 HB3 SER 565 8.516 23.820 -13.918 492 HG SER 565 HG SER 565 9.307 23.518 -11.954 493 H SER 566 H SER 566 8.758 26.428 -12.042 494 HA SER 566 HA SER 566 9.970 27.692 -14.383 495 HB2 SER 566 HB2 SER 566 7.974 29.149 -14.060 496 HB3 SER 566 HB3 SER 566 8.467 29.439 -12.382 497 HG SER 566 HG SER 566 9.157 31.117 -13.835 Start of MODEL 7 1 H1 GLY 502 H1 GLY 502 11.326 13.588 -31.609 2 H2 GLY 502 H2 GLY 502 11.505 12.118 -32.264 3 H3 GLY 502 H3 GLY 502 10.041 12.820 -32.207 4 HA2 GLY 502 HA2 GLY 502 12.277 13.699 -33.946 5 HA3 GLY 502 HA3 GLY 502 10.839 12.805 -34.480 6 HA PRO 503 HA PRO 503 10.001 17.366 -34.936 7 HB2 PRO 503 HB2 PRO 503 9.435 17.445 -37.622 8 HB3 PRO 503 HB3 PRO 503 11.096 17.355 -36.998 9 HG2 PRO 503 HG2 PRO 503 9.388 15.038 -37.962 10 HG3 PRO 503 HG3 PRO 503 11.061 15.458 -38.445 11 HD2 PRO 503 HD2 PRO 503 10.501 13.608 -36.500 12 HD3 PRO 503 HD3 PRO 503 11.948 14.663 -36.418 13 H VAL 504 H VAL 504 8.234 16.291 -33.482 14 HA VAL 504 HA VAL 504 5.975 16.255 -32.940 15 HB VAL 504 HB VAL 504 5.281 17.157 -35.806 16 HG11 VAL 504 HG11 VAL 504 3.281 18.044 -34.703 17 HG12 VAL 504 HG12 VAL 504 3.395 16.294 -34.507 18 HG13 VAL 504 HG13 VAL 504 3.819 17.363 -33.153 19 HG21 VAL 504 HG21 VAL 504 5.903 18.855 -33.335 20 HG22 VAL 504 HG22 VAL 504 6.855 18.836 -34.835 21 HG23 VAL 504 HG23 VAL 504 5.206 19.457 -34.855 22 H GLN 505 H GLN 505 4.990 14.377 -32.577 23 HA GLN 505 HA GLN 505 3.967 12.719 -34.745 24 HB2 GLN 505 HB2 GLN 505 5.264 10.766 -34.408 25 HB3 GLN 505 HB3 GLN 505 6.427 12.052 -34.627 26 HG2 GLN 505 HG2 GLN 505 5.668 10.735 -31.976 27 HG3 GLN 505 HG3 GLN 505 7.115 10.439 -32.916 28 HE21 GLN 505 HE21 GLN 505 5.502 12.808 -30.798 29 HE22 GLN 505 HE22 GLN 505 6.978 13.725 -30.476 30 H ILE 506 H ILE 506 2.713 10.860 -33.917 31 HA ILE 506 HA ILE 506 1.336 11.535 -31.414 32 HB ILE 506 HB ILE 506 -0.069 9.574 -31.953 33 HG12 ILE 506 HG12 ILE 506 1.789 9.148 -34.336 34 HG13 ILE 506 HG13 ILE 506 1.497 8.042 -32.995 35 HG21 ILE 506 HG21 ILE 506 -1.190 10.579 -33.828 36 HG22 ILE 506 HG22 ILE 506 -0.484 11.869 -32.858 37 HG23 ILE 506 HG23 ILE 506 0.302 11.377 -34.374 38 HD11 ILE 506 HD11 ILE 506 0.300 7.234 -34.904 39 HD12 ILE 506 HD12 ILE 506 -0.907 7.853 -33.760 40 HD13 ILE 506 HD13 ILE 506 -0.456 8.807 -35.194 41 H ASP 507 H ASP 507 1.138 10.181 -29.565 42 HA ASP 507 HA ASP 507 3.005 7.911 -29.256 43 HB2 ASP 507 HB2 ASP 507 4.364 9.950 -28.764 44 HB3 ASP 507 HB3 ASP 507 3.196 10.427 -27.541 45 HA PRO 508 HA PRO 508 -0.589 6.841 -26.830 46 HB2 PRO 508 HB2 PRO 508 0.040 4.258 -26.215 47 HB3 PRO 508 HB3 PRO 508 -0.301 4.771 -27.892 48 HG2 PRO 508 HG2 PRO 508 2.414 4.434 -26.585 49 HG3 PRO 508 HG3 PRO 508 1.841 3.803 -28.162 50 HD2 PRO 508 HD2 PRO 508 3.282 6.112 -27.946 51 HD3 PRO 508 HD3 PRO 508 2.017 5.885 -29.197 52 H TYR 509 H TYR 509 -1.224 6.379 -24.642 53 HA TYR 509 HA TYR 509 0.664 7.415 -22.673 54 HB2 TYR 509 HB2 TYR 509 -2.149 6.330 -22.283 55 HB3 TYR 509 HB3 TYR 509 -1.238 7.310 -21.137 56 HD1 TYR 509 HD2 TYR 509 -0.456 9.669 -21.948 57 HD2 TYR 509 HD1 TYR 509 -3.557 7.388 -23.887 58 HE1 TYR 509 HE2 TYR 509 -1.313 11.750 -23.017 59 HE2 TYR 509 HE1 TYR 509 -4.392 9.456 -24.987 60 HH TYR 509 HH TYR 509 -2.887 12.667 -24.413 61 H LEU 510 H LEU 510 -0.096 4.307 -23.854 62 HA LEU 510 HA LEU 510 1.493 3.062 -21.680 63 HB2 LEU 510 HB2 LEU 510 -1.255 2.106 -22.581 64 HB3 LEU 510 HB3 LEU 510 -0.117 1.071 -21.736 65 HG LEU 510 HG LEU 510 -1.304 3.629 -20.579 66 HD11 LEU 510 HD11 LEU 510 -2.640 2.103 -19.181 67 HD12 LEU 510 HD12 LEU 510 -1.942 0.698 -20.017 68 HD13 LEU 510 HD13 LEU 510 -2.981 1.836 -20.897 69 HD21 LEU 510 HD21 LEU 510 0.904 3.110 -19.559 70 HD22 LEU 510 HD22 LEU 510 0.391 1.434 -19.282 71 HD23 LEU 510 HD23 LEU 510 -0.400 2.770 -18.421 72 H GLU 511 H GLU 511 3.080 1.887 -22.562 73 HA GLU 511 HA GLU 511 3.090 1.444 -25.456 74 HB2 GLU 511 HB2 GLU 511 5.396 0.738 -25.120 75 HB3 GLU 511 HB3 GLU 511 5.089 2.244 -24.265 76 HG2 GLU 511 HG2 GLU 511 4.894 0.963 -22.117 77 HG3 GLU 511 HG3 GLU 511 5.261 -0.526 -22.992 78 H ASP 512 H ASP 512 2.324 -0.466 -22.619 79 HA ASP 512 HA ASP 512 2.774 -3.016 -24.036 80 HB2 ASP 512 HB2 ASP 512 3.508 -2.624 -21.641 81 HB3 ASP 512 HB3 ASP 512 1.805 -2.564 -21.199 82 H SER 513 H SER 513 0.507 -0.932 -24.369 83 HA SER 513 HA SER 513 -1.757 -2.886 -24.329 84 HB2 SER 513 HB2 SER 513 -2.090 -0.646 -23.161 85 HB3 SER 513 HB3 SER 513 -1.970 0.099 -24.765 86 HG SER 513 HG SER 513 -4.162 -0.396 -24.238 87 H LEU 514 H LEU 514 -1.779 -3.975 -26.228 88 HA LEU 514 HA LEU 514 -0.571 -2.765 -28.608 89 HB2 LEU 514 HB2 LEU 514 -1.565 -5.519 -27.835 90 HB3 LEU 514 HB3 LEU 514 -1.373 -5.132 -29.528 91 HG LEU 514 HG LEU 514 0.571 -6.275 -28.733 92 HD11 LEU 514 HD11 LEU 514 1.427 -3.393 -29.203 93 HD12 LEU 514 HD12 LEU 514 0.769 -4.429 -30.486 94 HD13 LEU 514 HD13 LEU 514 2.268 -4.882 -29.651 95 HD21 LEU 514 HD21 LEU 514 0.517 -5.578 -26.347 96 HD22 LEU 514 HD22 LEU 514 1.108 -3.966 -26.817 97 HD23 LEU 514 HD23 LEU 514 2.120 -5.397 -27.083 98 H CYS 515 H CYS 515 -1.523 -2.284 -30.553 99 HA CYS 515 HA CYS 515 -4.255 -1.442 -30.639 100 HB2 CYS 515 HB2 CYS 515 -2.603 -0.505 -32.142 101 HB3 CYS 515 HB3 CYS 515 -2.216 -2.097 -32.776 102 H HIS 516 H HIS 516 -6.108 -2.354 -31.523 103 HA HIS 516 HA HIS 516 -6.404 -5.178 -31.193 104 HB2 HIS 516 HB2 HIS 516 -8.160 -3.404 -30.924 105 HB3 HIS 516 HB3 HIS 516 -8.240 -3.250 -32.668 106 HD2 HIS 516 HD2 HIS 516 -10.048 -4.702 -33.805 107 HE1 HIS 516 HE1 HIS 516 -10.657 -7.625 -30.770 108 HE2 HIS 516 HE2 HIS 516 -11.445 -6.798 -33.048 109 H ILE 517 H ILE 517 -5.818 -3.193 -34.098 110 HA ILE 517 HA ILE 517 -6.609 -5.310 -35.955 111 HB ILE 517 HB ILE 517 -5.232 -2.620 -36.409 112 HG12 ILE 517 HG12 ILE 517 -7.421 -2.257 -35.510 113 HG13 ILE 517 HG13 ILE 517 -7.447 -1.871 -37.219 114 HG21 ILE 517 HG21 ILE 517 -6.377 -4.574 -38.443 115 HG22 ILE 517 HG22 ILE 517 -5.993 -2.873 -38.788 116 HG23 ILE 517 HG23 ILE 517 -4.705 -3.983 -38.323 117 HD11 ILE 517 HD11 ILE 517 -8.529 -4.126 -37.643 118 HD12 ILE 517 HD12 ILE 517 -8.634 -4.336 -35.879 119 HD13 ILE 517 HD13 ILE 517 -9.491 -3.004 -36.664 120 H CYS 518 H CYS 518 -3.466 -3.542 -35.621 121 HA CYS 518 HA CYS 518 -2.111 -5.617 -37.135 122 HB2 CYS 518 HB2 CYS 518 -0.094 -4.210 -36.705 123 HB3 CYS 518 HB3 CYS 518 -1.448 -3.366 -37.451 124 H SER 519 H SER 519 -2.373 -4.771 -33.688 125 HA SER 519 HA SER 519 -1.716 -5.882 -31.761 126 HB2 SER 519 HB2 SER 519 -1.281 -8.311 -33.572 127 HB3 SER 519 HB3 SER 519 -1.513 -8.302 -31.829 128 HG SER 519 HG SER 519 -3.453 -8.808 -32.979 129 H SER 520 H SER 520 0.441 -4.957 -34.017 130 HA SER 520 HA SER 520 2.819 -6.228 -32.711 131 HB2 SER 520 HB2 SER 520 4.031 -5.483 -34.756 132 HB3 SER 520 HB3 SER 520 2.677 -6.566 -35.120 133 HG SER 520 HG SER 520 2.744 -4.719 -36.519 134 H GLN 521 H GLN 521 1.022 -3.324 -32.748 135 HA GLN 521 HA GLN 521 3.227 -1.843 -31.444 136 HB2 GLN 521 HB2 GLN 521 1.720 -0.830 -33.900 137 HB3 GLN 521 HB3 GLN 521 2.709 0.189 -32.863 138 HG2 GLN 521 HG2 GLN 521 4.714 -1.197 -33.419 139 HG3 GLN 521 HG3 GLN 521 3.722 -2.139 -34.543 140 HE21 GLN 521 HE21 GLN 521 2.671 -0.916 -36.391 141 HE22 GLN 521 HE22 GLN 521 3.533 0.489 -37.002 142 HA PRO 522 HA PRO 522 -0.248 -0.443 -29.059 143 HB2 PRO 522 HB2 PRO 522 0.818 1.655 -27.690 144 HB3 PRO 522 HB3 PRO 522 1.390 -0.015 -27.445 145 HG2 PRO 522 HG2 PRO 522 2.662 2.095 -29.225 146 HG3 PRO 522 HG3 PRO 522 3.451 1.049 -28.005 147 HD2 PRO 522 HD2 PRO 522 3.387 0.486 -30.692 148 HD3 PRO 522 HD3 PRO 522 3.378 -0.797 -29.440 149 H GLY 523 H GLY 523 -1.961 1.035 -29.111 150 HA2 GLY 523 HA2 GLY 523 -1.733 3.189 -31.185 151 HA3 GLY 523 HA3 GLY 523 -3.228 2.342 -30.765 152 HA PRO 524 HA PRO 524 -2.345 6.037 -27.818 153 HB2 PRO 524 HB2 PRO 524 -2.503 8.383 -29.205 154 HB3 PRO 524 HB3 PRO 524 -1.001 7.415 -29.147 155 HG2 PRO 524 HG2 PRO 524 -3.091 7.460 -31.332 156 HG3 PRO 524 HG3 PRO 524 -1.311 7.584 -31.490 157 HD2 PRO 524 HD2 PRO 524 -2.695 5.225 -31.810 158 HD3 PRO 524 HD3 PRO 524 -1.021 5.288 -31.166 159 H PHE 525 H PHE 525 -4.698 5.578 -30.391 160 HA PHE 525 HA PHE 525 -6.732 7.248 -29.012 161 HB2 PHE 525 HB2 PHE 525 -6.935 5.721 -31.633 162 HB3 PHE 525 HB3 PHE 525 -8.052 6.933 -31.026 163 HD1 PHE 525 HD1 PHE 525 -6.768 9.295 -30.388 164 HD2 PHE 525 HD2 PHE 525 -5.463 6.404 -33.315 165 HE1 PHE 525 HE1 PHE 525 -5.421 11.044 -31.520 166 HE2 PHE 525 HE2 PHE 525 -4.100 8.153 -34.424 167 HZ PHE 525 HZ PHE 525 -4.077 10.476 -33.533 168 H PHE 526 H PHE 526 -8.560 6.449 -28.063 169 HA PHE 526 HA PHE 526 -8.896 3.467 -28.023 170 HB2 PHE 526 HB2 PHE 526 -8.272 4.176 -25.809 171 HB3 PHE 526 HB3 PHE 526 -9.359 5.557 -25.863 172 HD1 PHE 526 HD2 PHE 526 -9.245 1.834 -25.542 173 HD2 PHE 526 HD1 PHE 526 -11.702 5.358 -25.319 174 HE1 PHE 526 HE2 PHE 526 -11.072 0.497 -24.530 175 HE2 PHE 526 HE1 PHE 526 -13.538 4.025 -24.329 176 HZ PHE 526 HZ PHE 526 -13.218 1.589 -23.915 177 H CYS 527 H CYS 527 -10.853 2.656 -28.597 178 HA CYS 527 HA CYS 527 -13.027 4.628 -29.234 179 HB2 CYS 527 HB2 CYS 527 -12.121 3.176 -31.110 180 HB3 CYS 527 HB3 CYS 527 -12.728 1.771 -30.233 181 H ARG 528 H ARG 528 -14.885 4.566 -28.080 182 HA ARG 528 HA ARG 528 -14.971 2.726 -25.784 183 HB2 ARG 528 HB2 ARG 528 -16.641 4.223 -24.904 184 HB3 ARG 528 HB3 ARG 528 -15.366 5.196 -25.628 185 HG2 ARG 528 HG2 ARG 528 -16.913 5.178 -27.770 186 HG3 ARG 528 HG3 ARG 528 -18.179 4.686 -26.640 187 HD2 ARG 528 HD2 ARG 528 -16.534 7.231 -26.632 188 HD3 ARG 528 HD3 ARG 528 -18.249 7.080 -27.020 189 HE ARG 528 HE ARG 528 -18.066 6.079 -24.442 190 HH11 ARG 528 HH21 ARG 528 -17.346 9.213 -25.919 191 HH12 ARG 528 HH22 ARG 528 -17.611 10.075 -24.433 192 HH21 ARG 528 HH11 ARG 528 -18.384 7.252 -22.558 193 HH22 ARG 528 HH12 ARG 528 -18.200 8.979 -22.563 194 H ASP 529 H ASP 529 -16.480 2.853 -28.916 195 HA ASP 529 HA ASP 529 -19.065 1.834 -28.315 196 HB2 ASP 529 HB2 ASP 529 -18.143 2.800 -30.543 197 HB3 ASP 529 HB3 ASP 529 -17.525 1.164 -30.850 198 H GLN 530 H GLN 530 -19.959 -0.249 -28.298 199 HA GLN 530 HA GLN 530 -18.387 -2.352 -27.170 200 HB2 GLN 530 HB2 GLN 530 -20.879 -2.024 -26.961 201 HB3 GLN 530 HB3 GLN 530 -21.063 -2.586 -28.626 202 HG2 GLN 530 HG2 GLN 530 -20.136 -4.796 -27.994 203 HG3 GLN 530 HG3 GLN 530 -19.838 -4.216 -26.351 204 HE21 GLN 530 HE21 GLN 530 -21.835 -3.578 -25.038 205 HE22 GLN 530 HE22 GLN 530 -23.328 -4.428 -25.406 206 H VAL 531 H VAL 531 -19.058 -1.437 -30.525 207 HA VAL 531 HA VAL 531 -18.400 -3.945 -31.810 208 HB VAL 531 HB VAL 531 -18.327 -1.036 -32.639 209 HG11 VAL 531 HG11 VAL 531 -17.544 -3.331 -34.440 210 HG12 VAL 531 HG12 VAL 531 -18.020 -1.702 -34.972 211 HG13 VAL 531 HG13 VAL 531 -16.578 -1.898 -33.969 212 HG21 VAL 531 HG21 VAL 531 -20.153 -1.650 -34.150 213 HG22 VAL 531 HG22 VAL 531 -20.030 -3.351 -33.654 214 HG23 VAL 531 HG23 VAL 531 -20.566 -2.123 -32.485 215 H CYS 532 H CYS 532 -16.429 -1.325 -30.456 216 HA CYS 532 HA CYS 532 -13.939 -2.653 -31.469 217 HB2 CYS 532 HB2 CYS 532 -14.492 0.235 -30.686 218 HB3 CYS 532 HB3 CYS 532 -12.905 -0.391 -31.156 219 H PHE 533 H PHE 533 -14.420 -0.245 -28.840 220 HA PHE 533 HA PHE 533 -13.727 -0.213 -26.644 221 HB2 PHE 533 HB2 PHE 533 -15.550 -2.058 -26.718 222 HB3 PHE 533 HB3 PHE 533 -14.246 -3.214 -26.543 223 HD1 PHE 533 HD1 PHE 533 -15.322 0.110 -25.038 224 HD2 PHE 533 HD2 PHE 533 -13.874 -3.897 -24.304 225 HE1 PHE 533 HE1 PHE 533 -15.435 0.506 -22.595 226 HE2 PHE 533 HE2 PHE 533 -13.982 -3.482 -21.860 227 HZ PHE 533 HZ PHE 533 -14.763 -1.281 -21.001 228 H LYS 534 H LYS 534 -11.547 -0.112 -28.200 229 HA LYS 534 HA LYS 534 -9.465 -1.432 -26.644 230 HB2 LYS 534 HB2 LYS 534 -10.497 -3.054 -28.646 231 HB3 LYS 534 HB3 LYS 534 -9.282 -2.188 -29.529 232 HG2 LYS 534 HG2 LYS 534 -8.261 -4.207 -28.749 233 HG3 LYS 534 HG3 LYS 534 -7.578 -2.922 -27.767 234 HD2 LYS 534 HD2 LYS 534 -8.060 -4.827 -26.370 235 HD3 LYS 534 HD3 LYS 534 -9.176 -3.534 -25.923 236 HE2 LYS 534 HE2 LYS 534 -10.932 -4.602 -27.378 237 HE3 LYS 534 HE3 LYS 534 -9.800 -5.909 -27.748 238 HZ1 LYS 534 HZ1 LYS 534 -10.835 -5.227 -25.051 239 HZ2 LYS 534 HZ2 LYS 534 -9.774 -6.437 -25.360 240 HZ3 LYS 534 HZ3 LYS 534 -11.299 -6.512 -25.945 241 H TYR 535 H TYR 535 -7.243 -1.141 -27.991 242 HA TYR 535 HA TYR 535 -7.101 1.748 -28.616 243 HB2 TYR 535 HB2 TYR 535 -5.042 -0.421 -28.081 244 HB3 TYR 535 HB3 TYR 535 -4.590 1.145 -28.722 245 HD1 TYR 535 HD1 TYR 535 -7.314 1.259 -26.255 246 HD2 TYR 535 HD2 TYR 535 -3.046 1.239 -26.805 247 HE1 TYR 535 HE1 TYR 535 -7.039 2.185 -23.998 248 HE2 TYR 535 HE2 TYR 535 -2.736 2.182 -24.557 249 HH TYR 535 HH TYR 535 -3.797 3.007 -22.650 250 H PHE 536 H PHE 536 -6.141 2.607 -30.518 251 HA PHE 536 HA PHE 536 -5.569 0.737 -32.749 252 HB2 PHE 536 HB2 PHE 536 -7.573 2.996 -32.926 253 HB3 PHE 536 HB3 PHE 536 -7.006 2.064 -34.293 254 HD1 PHE 536 HD1 PHE 536 -9.132 2.005 -31.251 255 HD2 PHE 536 HD2 PHE 536 -7.853 -0.165 -34.746 256 HE1 PHE 536 HE1 PHE 536 -10.882 0.313 -30.838 257 HE2 PHE 536 HE2 PHE 536 -9.639 -1.851 -34.348 258 HZ PHE 536 HZ PHE 536 -11.148 -1.626 -32.390 259 H CYS 537 H CYS 537 -4.108 1.523 -34.246 260 HA CYS 537 HA CYS 537 -2.667 4.018 -33.641 261 HB2 CYS 537 HB2 CYS 537 -2.365 2.396 -36.185 262 HB3 CYS 537 HB3 CYS 537 -1.170 3.372 -35.346 263 H ARG 538 H ARG 538 -2.300 5.612 -35.538 264 HA ARG 538 HA ARG 538 -4.759 6.834 -36.266 265 HB2 ARG 538 HB2 ARG 538 -2.596 8.017 -36.198 266 HB3 ARG 538 HB3 ARG 538 -2.007 7.098 -37.585 267 HG2 ARG 538 HG2 ARG 538 -3.680 8.115 -39.042 268 HG3 ARG 538 HG3 ARG 538 -4.459 8.926 -37.676 269 HD2 ARG 538 HD2 ARG 538 -1.556 9.413 -38.460 270 HD3 ARG 538 HD3 ARG 538 -2.904 10.313 -39.173 271 HE ARG 538 HE ARG 538 -3.306 10.549 -36.442 272 HH11 ARG 538 HH21 ARG 538 -0.706 11.501 -38.647 273 HH12 ARG 538 HH22 ARG 538 -0.320 12.921 -37.723 274 HH21 ARG 538 HH11 ARG 538 -2.762 12.411 -35.307 275 HH22 ARG 538 HH12 ARG 538 -1.463 13.420 -35.859 276 H SER 539 H SER 539 -2.589 4.746 -38.254 277 HA SER 539 HA SER 539 -4.252 4.849 -40.620 278 HB2 SER 539 HB2 SER 539 -2.826 2.825 -41.278 279 HB3 SER 539 HB3 SER 539 -1.953 4.325 -40.919 280 HG SER 539 HG SER 539 -0.993 2.484 -39.893 281 H CYS 540 H CYS 540 -3.893 2.484 -37.937 282 HA CYS 540 HA CYS 540 -5.675 0.515 -38.999 283 HB2 CYS 540 HB2 CYS 540 -4.955 1.148 -36.115 284 HB3 CYS 540 HB3 CYS 540 -5.713 -0.342 -36.662 285 H TRP 541 H TRP 541 -6.216 3.359 -36.897 286 HA TRP 541 HA TRP 541 -8.961 2.827 -36.271 287 HB2 TRP 541 HB2 TRP 541 -7.593 4.468 -35.039 288 HB3 TRP 541 HB3 TRP 541 -7.396 5.447 -36.480 289 HD1 TRP 541 HD1 TRP 541 -9.678 6.639 -37.425 290 HE1 TRP 541 HE1 TRP 541 -11.833 7.416 -36.246 291 HE3 TRP 541 HE3 TRP 541 -8.848 4.618 -32.821 292 HZ2 TRP 541 HZ2 TRP 541 -13.206 6.812 -33.736 293 HZ3 TRP 541 HZ3 TRP 541 -10.543 4.768 -31.046 294 HH2 TRP 541 HH2 TRP 541 -12.769 5.767 -31.520 295 H HIS 542 H HIS 542 -7.409 4.810 -38.849 296 HA HIS 542 HA HIS 542 -9.789 5.684 -40.123 297 HB2 HIS 542 HB2 HIS 542 -7.546 6.594 -40.601 298 HB3 HIS 542 HB3 HIS 542 -7.048 5.060 -41.314 299 HD2 HIS 542 HD2 HIS 542 -9.515 7.991 -41.967 300 HE1 HIS 542 HE1 HIS 542 -8.902 6.002 -45.681 301 HE2 HIS 542 HE2 HIS 542 -10.001 8.006 -44.553 302 H TRP 543 H TRP 543 -7.866 2.671 -40.539 303 HA TRP 543 HA TRP 543 -9.358 1.644 -42.764 304 HB2 TRP 543 HB2 TRP 543 -7.121 0.835 -42.115 305 HB3 TRP 543 HB3 TRP 543 -7.754 0.202 -40.605 306 HD1 TRP 543 HD1 TRP 543 -7.657 -0.494 -44.338 307 HE1 TRP 543 HE1 TRP 543 -8.435 -2.890 -44.823 308 HE3 TRP 543 HE3 TRP 543 -9.245 -1.804 -39.637 309 HZ2 TRP 543 HZ2 TRP 543 -9.665 -5.067 -43.379 310 HZ3 TRP 543 HZ3 TRP 543 -10.275 -4.025 -39.243 311 HH2 TRP 543 HH2 TRP 543 -10.481 -5.665 -41.096 312 H ARG 544 H ARG 544 -9.647 1.085 -39.196 313 HA ARG 544 HA ARG 544 -11.703 -0.899 -39.405 314 HB2 ARG 544 HB2 ARG 544 -10.133 -0.219 -37.425 315 HB3 ARG 544 HB3 ARG 544 -11.376 0.940 -36.989 316 HG2 ARG 544 HG2 ARG 544 -11.712 -2.089 -37.276 317 HG3 ARG 544 HG3 ARG 544 -11.439 -1.230 -35.765 318 HD2 ARG 544 HD2 ARG 544 -13.613 -0.030 -36.074 319 HD3 ARG 544 HD3 ARG 544 -13.934 -1.042 -37.487 320 HE ARG 544 HE ARG 544 -14.051 -1.816 -34.681 321 HH11 ARG 544 HH21 ARG 544 -13.857 -3.114 -37.967 322 HH12 ARG 544 HH22 ARG 544 -14.477 -4.664 -37.489 323 HH21 ARG 544 HH11 ARG 544 -14.876 -3.850 -34.134 324 HH22 ARG 544 HH12 ARG 544 -15.025 -5.068 -35.358 325 H HIS 545 H HIS 545 -11.899 2.632 -38.729 326 HA HIS 545 HA HIS 545 -14.819 2.496 -38.507 327 HB2 HIS 545 HB2 HIS 545 -12.902 4.879 -38.470 328 HB3 HIS 545 HB3 HIS 545 -14.619 4.922 -38.032 329 HD1 HIS 545 HD1 HIS 545 -11.274 3.925 -36.573 330 HD2 HIS 545 HD2 HIS 545 -15.355 3.259 -35.891 331 HE1 HIS 545 HE1 HIS 545 -11.445 2.874 -34.251 332 H SER 546 H SER 546 -12.889 2.443 -41.207 333 HA SER 546 HA SER 546 -14.243 4.296 -42.980 334 HB2 SER 546 HB2 SER 546 -12.040 3.179 -43.467 335 HB3 SER 546 HB3 SER 546 -12.910 1.638 -43.618 336 HG SER 546 HG SER 546 -12.537 2.692 -45.658 337 H MET 547 H MET 547 -14.907 1.026 -41.768 338 HA MET 547 HA MET 547 -16.864 0.176 -43.626 339 HB2 MET 547 HB2 MET 547 -16.687 -0.344 -40.622 340 HB3 MET 547 HB3 MET 547 -17.699 -1.250 -41.743 341 HG2 MET 547 HG2 MET 547 -14.658 -1.101 -41.748 342 HG3 MET 547 HG3 MET 547 -15.632 -2.462 -41.236 343 HE1 MET 547 HE1 MET 547 -17.873 -2.776 -43.502 344 HE2 MET 547 HE2 MET 547 -17.035 -3.928 -44.556 345 HE3 MET 547 HE3 MET 547 -16.912 -4.095 -42.793 346 H GLU 548 H GLU 548 -19.015 0.544 -43.913 347 HA GLU 548 HA GLU 548 -20.213 2.932 -42.832 348 HB2 GLU 548 HB2 GLU 548 -20.728 1.903 -45.066 349 HB3 GLU 548 HB3 GLU 548 -21.557 0.578 -44.242 350 HG2 GLU 548 HG2 GLU 548 -23.193 2.183 -43.298 351 HG3 GLU 548 HG3 GLU 548 -22.307 3.531 -44.020 352 H GLY 549 H GLY 549 -21.703 3.224 -41.196 353 HA2 GLY 549 HA2 GLY 549 -23.311 2.477 -39.583 354 HA3 GLY 549 HA3 GLY 549 -22.672 0.827 -39.710 355 H LEU 550 H LEU 550 -19.871 2.400 -39.562 356 HA LEU 550 HA LEU 550 -19.818 2.555 -36.557 357 HB2 LEU 550 HB2 LEU 550 -17.662 1.809 -38.581 358 HB3 LEU 550 HB3 LEU 550 -17.326 2.228 -36.905 359 HG LEU 550 HG LEU 550 -18.688 0.353 -36.107 360 HD11 LEU 550 HD11 LEU 550 -18.719 -0.568 -39.006 361 HD12 LEU 550 HD12 LEU 550 -20.135 -0.201 -37.985 362 HD13 LEU 550 HD13 LEU 550 -19.114 -1.568 -37.581 363 HD21 LEU 550 HD21 LEU 550 -16.888 -1.345 -36.828 364 HD22 LEU 550 HD22 LEU 550 -16.343 0.165 -36.081 365 HD23 LEU 550 HD23 LEU 550 -16.241 -0.060 -37.853 366 H ARG 551 H ARG 551 -20.287 4.617 -38.956 367 HA ARG 551 HA ARG 551 -18.069 6.448 -38.851 368 HB2 ARG 551 HB2 ARG 551 -20.964 6.978 -39.649 369 HB3 ARG 551 HB3 ARG 551 -19.574 7.981 -40.061 370 HG2 ARG 551 HG2 ARG 551 -20.044 5.114 -41.016 371 HG3 ARG 551 HG3 ARG 551 -20.313 6.583 -41.946 372 HD2 ARG 551 HD2 ARG 551 -17.891 7.119 -41.845 373 HD3 ARG 551 HD3 ARG 551 -17.611 5.691 -40.848 374 HE ARG 551 HE ARG 551 -17.552 4.394 -42.702 375 HH11 ARG 551 HH11 ARG 551 -19.299 7.318 -43.703 376 HH12 ARG 551 HH12 ARG 551 -19.301 6.835 -45.373 377 HH21 ARG 551 HH21 ARG 551 -17.504 3.907 -44.827 378 HH22 ARG 551 HH22 ARG 551 -18.336 4.895 -46.007 379 H HIS 552 H HIS 552 -20.573 5.814 -36.583 380 HA HIS 552 HA HIS 552 -20.720 8.542 -35.498 381 HB2 HIS 552 HB2 HIS 552 -22.270 7.553 -33.871 382 HB3 HIS 552 HB3 HIS 552 -22.705 7.087 -35.511 383 HD2 HIS 552 HD2 HIS 552 -21.751 5.627 -32.157 384 HE1 HIS 552 HE1 HIS 552 -21.609 2.322 -34.824 385 HE2 HIS 552 HE2 HIS 552 -21.557 3.026 -32.366 386 H HIS 553 H HIS 553 -18.432 6.086 -35.261 387 HA HIS 553 HA HIS 553 -17.850 6.178 -32.407 388 HB2 HIS 553 HB2 HIS 553 -16.173 5.267 -34.780 389 HB3 HIS 553 HB3 HIS 553 -15.732 5.029 -33.103 390 HD2 HIS 553 HD2 HIS 553 -19.376 4.252 -34.060 391 HE1 HIS 553 HE1 HIS 553 -17.372 0.516 -33.800 392 HE2 HIS 553 HE2 HIS 553 -19.646 1.641 -34.052 393 H SER 554 H SER 554 -15.898 7.082 -31.426 394 HA SER 554 HA SER 554 -14.448 9.174 -32.943 395 HB2 SER 554 HB2 SER 554 -14.881 10.878 -31.171 396 HB3 SER 554 HB3 SER 554 -16.328 10.433 -32.083 397 HG SER 554 HG SER 554 -16.754 10.536 -29.833 398 HA PRO 555 HA PRO 555 -11.259 7.501 -30.380 399 HB2 PRO 555 HB2 PRO 555 -9.166 9.111 -31.083 400 HB3 PRO 555 HB3 PRO 555 -9.946 8.001 -32.246 401 HG2 PRO 555 HG2 PRO 555 -10.394 10.979 -31.923 402 HG3 PRO 555 HG3 PRO 555 -10.168 10.039 -33.429 403 HD2 PRO 555 HD2 PRO 555 -12.647 10.763 -32.418 404 HD3 PRO 555 HD3 PRO 555 -12.362 9.299 -33.416 405 H LEU 556 H LEU 556 -11.196 7.671 -28.205 406 HA LEU 556 HA LEU 556 -11.226 10.313 -26.905 407 HB2 LEU 556 HB2 LEU 556 -11.273 7.448 -25.942 408 HB3 LEU 556 HB3 LEU 556 -11.184 8.792 -24.807 409 HG LEU 556 HG LEU 556 -13.328 8.859 -26.944 410 HD11 LEU 556 HD11 LEU 556 -14.810 7.600 -25.375 411 HD12 LEU 556 HD12 LEU 556 -13.371 7.153 -24.436 412 HD13 LEU 556 HD13 LEU 556 -13.507 6.651 -26.148 413 HD21 LEU 556 HD21 LEU 556 -14.501 10.168 -25.255 414 HD22 LEU 556 HD22 LEU 556 -12.839 10.798 -25.390 415 HD23 LEU 556 HD23 LEU 556 -13.283 9.759 -24.025 416 H MET 557 H MET 557 -9.694 10.982 -25.330 417 HA MET 557 HA MET 557 -7.107 9.560 -25.169 418 HB2 MET 557 HB2 MET 557 -7.367 12.400 -26.264 419 HB3 MET 557 HB3 MET 557 -5.863 11.734 -25.632 420 HG2 MET 557 HG2 MET 557 -6.004 9.880 -27.306 421 HG3 MET 557 HG3 MET 557 -7.395 10.678 -28.032 422 HE1 MET 557 HE1 MET 557 -5.965 13.842 -29.691 423 HE2 MET 557 HE2 MET 557 -7.356 12.758 -29.495 424 HE3 MET 557 HE3 MET 557 -6.784 13.734 -28.122 425 H ARG 558 H ARG 558 -5.774 10.336 -23.384 426 HA ARG 558 HA ARG 558 -7.316 11.006 -21.054 427 HB2 ARG 558 HB2 ARG 558 -4.332 10.845 -21.633 428 HB3 ARG 558 HB3 ARG 558 -4.957 11.397 -20.079 429 HG2 ARG 558 HG2 ARG 558 -6.133 9.305 -19.702 430 HG3 ARG 558 HG3 ARG 558 -5.649 8.697 -21.291 431 HD2 ARG 558 HD2 ARG 558 -4.296 7.776 -19.417 432 HD3 ARG 558 HD3 ARG 558 -3.335 8.599 -20.643 433 HE ARG 558 HE ARG 558 -3.404 10.625 -19.071 434 HH11 ARG 558 HH21 ARG 558 -3.275 7.330 -17.754 435 HH12 ARG 558 HH22 ARG 558 -2.522 7.884 -16.288 436 HH21 ARG 558 HH12 ARG 558 -2.521 11.242 -17.238 437 HH22 ARG 558 HH11 ARG 558 -2.121 10.101 -15.974 438 H ASN 559 H ASN 559 -7.476 12.885 -19.839 439 HA ASN 559 HA ASN 559 -7.178 15.421 -21.249 440 HB2 ASN 559 HB2 ASN 559 -7.911 14.765 -18.357 441 HB3 ASN 559 HB3 ASN 559 -7.971 16.379 -19.060 442 HD21 ASN 559 HD21 ASN 559 -9.950 13.827 -18.287 443 HD22 ASN 559 HD22 ASN 559 -11.202 14.098 -19.485 444 H GLN 560 H GLN 560 -5.288 13.573 -18.889 445 HA GLN 560 HA GLN 560 -3.187 15.707 -18.971 446 HB2 GLN 560 HB2 GLN 560 -3.966 13.933 -16.608 447 HB3 GLN 560 HB3 GLN 560 -2.532 14.964 -16.669 448 HG2 GLN 560 HG2 GLN 560 -3.983 16.972 -16.929 449 HG3 GLN 560 HG3 GLN 560 -5.420 15.947 -16.830 450 HE21 GLN 560 HE21 GLN 560 -2.516 17.000 -14.938 451 HE22 GLN 560 HE22 GLN 560 -3.287 16.724 -13.383 452 H LYS 561 H LYS 561 -1.167 15.024 -19.508 453 HA LYS 561 HA LYS 561 -0.852 12.468 -20.744 454 HB2 LYS 561 HB2 LYS 561 1.207 14.536 -19.843 455 HB3 LYS 561 HB3 LYS 561 1.583 13.119 -20.835 456 HG2 LYS 561 HG2 LYS 561 0.079 13.911 -22.618 457 HG3 LYS 561 HG3 LYS 561 -0.411 15.291 -21.630 458 HD2 LYS 561 HD2 LYS 561 1.184 16.036 -23.265 459 HD3 LYS 561 HD3 LYS 561 1.908 16.159 -21.657 460 HE2 LYS 561 HE2 LYS 561 3.150 14.040 -22.049 461 HE3 LYS 561 HE3 LYS 561 2.383 13.876 -23.636 462 HZ1 LYS 561 HZ1 LYS 561 3.481 15.940 -24.306 463 HZ2 LYS 561 HZ2 LYS 561 4.594 14.853 -23.813 464 HZ3 LYS 561 HZ3 LYS 561 4.185 16.098 -22.838 465 H ASN 562 H ASN 562 0.185 10.584 -20.132 466 HA ASN 562 HA ASN 562 0.342 10.001 -17.280 467 HB2 ASN 562 HB2 ASN 562 -0.385 8.363 -19.071 468 HB3 ASN 562 HB3 ASN 562 1.277 8.324 -19.657 469 HD21 ASN 562 HD21 ASN 562 1.093 5.945 -19.205 470 HD22 ASN 562 HD22 ASN 562 1.349 5.408 -17.552 471 H ARG 563 H ARG 563 2.136 9.854 -15.979 472 HA ARG 563 HA ARG 563 4.840 10.223 -17.203 473 HB2 ARG 563 HB2 ARG 563 3.654 11.899 -14.941 474 HB3 ARG 563 HB3 ARG 563 5.365 11.872 -15.376 475 HG2 ARG 563 HG2 ARG 563 4.795 12.713 -17.662 476 HG3 ARG 563 HG3 ARG 563 3.091 12.782 -17.190 477 HD2 ARG 563 HD2 ARG 563 3.966 14.990 -16.996 478 HD3 ARG 563 HD3 ARG 563 3.677 14.373 -15.362 479 HE ARG 563 HE ARG 563 6.395 13.879 -16.237 480 HH11 ARG 563 HH11 ARG 563 4.374 16.497 -14.977 481 HH12 ARG 563 HH12 ARG 563 5.735 17.350 -14.314 482 HH21 ARG 563 HH21 ARG 563 8.104 15.025 -15.347 483 HH22 ARG 563 HH22 ARG 563 7.816 16.529 -14.528 484 H ASP 564 H ASP 564 6.552 9.366 -16.005 485 HA ASP 564 HA ASP 564 5.837 7.245 -14.107 486 HB2 ASP 564 HB2 ASP 564 7.652 7.128 -15.920 487 HB3 ASP 564 HB3 ASP 564 8.623 8.196 -14.907 488 H SER 565 H SER 565 6.963 7.025 -11.988 489 HA SER 565 HA SER 565 6.693 9.495 -10.437 490 HB2 SER 565 HB2 SER 565 7.280 7.977 -8.512 491 HB3 SER 565 HB3 SER 565 5.883 7.456 -9.462 492 HG SER 565 HG SER 565 7.324 5.710 -8.983 493 H SER 566 H SER 566 9.316 7.867 -12.050 494 HA SER 566 HA SER 566 11.508 8.573 -10.348 495 HB2 SER 566 HB2 SER 566 11.458 8.273 -13.390 496 HB3 SER 566 HB3 SER 566 12.900 8.257 -12.364 497 HG SER 566 HG SER 566 10.794 6.370 -12.545 Start of MODEL 8 1 H1 GLY 502 H1 GLY 502 4.088 9.160 7.094 2 H2 GLY 502 H2 GLY 502 3.470 8.229 5.927 3 H3 GLY 502 H3 GLY 502 2.956 9.741 6.101 4 HA2 GLY 502 HA2 GLY 502 5.084 10.646 5.329 5 HA3 GLY 502 HA3 GLY 502 5.659 8.976 5.146 6 HA PRO 503 HA PRO 503 3.604 10.494 1.170 7 HB2 PRO 503 HB2 PRO 503 5.802 10.633 -0.467 8 HB3 PRO 503 HB3 PRO 503 5.353 11.951 0.653 9 HG2 PRO 503 HG2 PRO 503 7.393 9.745 1.099 10 HG3 PRO 503 HG3 PRO 503 7.604 11.510 1.338 11 HD2 PRO 503 HD2 PRO 503 6.987 9.817 3.395 12 HD3 PRO 503 HD3 PRO 503 6.336 11.487 3.325 13 H VAL 504 H VAL 504 3.405 9.296 -0.895 14 HA VAL 504 HA VAL 504 4.603 6.562 -0.926 15 HB VAL 504 HB VAL 504 2.381 5.566 -1.442 16 HG11 VAL 504 HG11 VAL 504 1.562 5.366 0.817 17 HG12 VAL 504 HG12 VAL 504 3.331 5.398 0.834 18 HG13 VAL 504 HG13 VAL 504 2.407 6.841 1.316 19 HG21 VAL 504 HG21 VAL 504 1.108 7.565 -2.150 20 HG22 VAL 504 HG22 VAL 504 0.286 6.691 -0.857 21 HG23 VAL 504 HG23 VAL 504 1.153 8.191 -0.486 22 H GLN 505 H GLN 505 4.435 5.501 -3.012 23 HA GLN 505 HA GLN 505 4.522 7.441 -5.241 24 HB2 GLN 505 HB2 GLN 505 5.064 4.435 -5.146 25 HB3 GLN 505 HB3 GLN 505 5.331 5.470 -6.546 26 HG2 GLN 505 HG2 GLN 505 6.792 5.682 -3.872 27 HG3 GLN 505 HG3 GLN 505 7.429 5.001 -5.362 28 HE21 GLN 505 HE21 GLN 505 7.632 6.551 -7.293 29 HE22 GLN 505 HE22 GLN 505 7.977 8.231 -6.908 30 H ILE 506 H ILE 506 3.440 6.900 -7.328 31 HA ILE 506 HA ILE 506 0.860 5.415 -6.987 32 HB ILE 506 HB ILE 506 -0.240 7.239 -8.386 33 HG12 ILE 506 HG12 ILE 506 0.600 9.542 -8.197 34 HG13 ILE 506 HG13 ILE 506 2.142 8.972 -7.578 35 HG21 ILE 506 HG21 ILE 506 -0.589 6.930 -5.964 36 HG22 ILE 506 HG22 ILE 506 0.729 8.076 -5.632 37 HG23 ILE 506 HG23 ILE 506 -0.740 8.618 -6.465 38 HD11 ILE 506 HD11 ILE 506 2.103 9.638 -10.010 39 HD12 ILE 506 HD12 ILE 506 2.705 8.004 -9.734 40 HD13 ILE 506 HD13 ILE 506 1.042 8.253 -10.333 41 H ASP 507 H ASP 507 -0.242 5.237 -9.274 42 HA ASP 507 HA ASP 507 1.853 4.623 -11.326 43 HB2 ASP 507 HB2 ASP 507 -0.533 2.928 -10.473 44 HB3 ASP 507 HB3 ASP 507 0.372 2.640 -11.950 45 HA PRO 508 HA PRO 508 -0.543 6.880 -14.279 46 HB2 PRO 508 HB2 PRO 508 -0.257 4.487 -16.096 47 HB3 PRO 508 HB3 PRO 508 0.139 6.198 -16.430 48 HG2 PRO 508 HG2 PRO 508 2.106 4.413 -15.932 49 HG3 PRO 508 HG3 PRO 508 2.167 6.038 -15.171 50 HD2 PRO 508 HD2 PRO 508 1.224 3.428 -13.955 51 HD3 PRO 508 HD3 PRO 508 2.310 4.683 -13.277 52 H TYR 509 H TYR 509 -2.609 7.016 -15.336 53 HA TYR 509 HA TYR 509 -4.628 5.229 -14.162 54 HB2 TYR 509 HB2 TYR 509 -6.238 6.820 -15.088 55 HB3 TYR 509 HB3 TYR 509 -4.977 7.659 -14.213 56 HD1 TYR 509 HD1 TYR 509 -3.356 9.113 -15.376 57 HD2 TYR 509 HD2 TYR 509 -6.461 7.048 -17.542 58 HE1 TYR 509 HE1 TYR 509 -2.913 10.535 -17.368 59 HE2 TYR 509 HE2 TYR 509 -6.024 8.468 -19.532 60 HH TYR 509 HH TYR 509 -4.724 10.134 -20.442 61 H LEU 510 H LEU 510 -2.693 4.868 -16.824 62 HA LEU 510 HA LEU 510 -4.634 3.111 -18.202 63 HB2 LEU 510 HB2 LEU 510 -4.486 4.138 -20.318 64 HB3 LEU 510 HB3 LEU 510 -4.853 5.439 -19.212 65 HG LEU 510 HG LEU 510 -2.148 4.855 -20.505 66 HD11 LEU 510 HD11 LEU 510 -2.573 6.937 -21.731 67 HD12 LEU 510 HD12 LEU 510 -4.134 7.129 -20.906 68 HD13 LEU 510 HD13 LEU 510 -3.869 5.766 -22.015 69 HD21 LEU 510 HD21 LEU 510 -1.445 7.088 -19.596 70 HD22 LEU 510 HD22 LEU 510 -1.643 5.861 -18.347 71 HD23 LEU 510 HD23 LEU 510 -2.901 7.095 -18.578 72 H GLU 511 H GLU 511 -3.467 2.042 -20.171 73 HA GLU 511 HA GLU 511 -0.564 1.627 -19.606 74 HB2 GLU 511 HB2 GLU 511 -2.657 -0.563 -20.000 75 HB3 GLU 511 HB3 GLU 511 -0.910 -0.825 -20.027 76 HG2 GLU 511 HG2 GLU 511 -0.751 0.040 -17.691 77 HG3 GLU 511 HG3 GLU 511 -2.511 0.193 -17.644 78 H ASP 512 H ASP 512 0.619 0.702 -21.437 79 HA ASP 512 HA ASP 512 -0.364 1.774 -23.993 80 HB2 ASP 512 HB2 ASP 512 2.241 0.377 -23.208 81 HB3 ASP 512 HB3 ASP 512 1.903 1.039 -24.810 82 H SER 513 H SER 513 -2.238 0.143 -23.882 83 HA SER 513 HA SER 513 -1.726 -2.653 -24.338 84 HB2 SER 513 HB2 SER 513 -4.178 -0.953 -24.957 85 HB3 SER 513 HB3 SER 513 -4.128 -2.719 -25.016 86 HG SER 513 HG SER 513 -4.927 -1.918 -22.992 87 H LEU 514 H LEU 514 -1.627 -3.885 -26.199 88 HA LEU 514 HA LEU 514 -0.580 -2.641 -28.559 89 HB2 LEU 514 HB2 LEU 514 -1.469 -5.453 -27.843 90 HB3 LEU 514 HB3 LEU 514 -1.083 -5.054 -29.498 91 HG LEU 514 HG LEU 514 0.798 -6.095 -28.483 92 HD11 LEU 514 HD11 LEU 514 1.554 -3.169 -28.777 93 HD12 LEU 514 HD12 LEU 514 1.127 -4.199 -30.162 94 HD13 LEU 514 HD13 LEU 514 2.527 -4.598 -29.145 95 HD21 LEU 514 HD21 LEU 514 0.405 -5.461 -26.113 96 HD22 LEU 514 HD22 LEU 514 0.966 -3.811 -26.473 97 HD23 LEU 514 HD23 LEU 514 2.076 -5.183 -26.633 98 H CYS 515 H CYS 515 -1.428 -2.269 -30.586 99 HA CYS 515 HA CYS 515 -4.153 -1.534 -30.862 100 HB2 CYS 515 HB2 CYS 515 -2.441 -0.689 -32.355 101 HB3 CYS 515 HB3 CYS 515 -2.050 -2.314 -32.908 102 H HIS 516 H HIS 516 -5.981 -2.525 -31.648 103 HA HIS 516 HA HIS 516 -6.279 -5.306 -31.174 104 HB2 HIS 516 HB2 HIS 516 -8.080 -3.596 -31.067 105 HB3 HIS 516 HB3 HIS 516 -8.034 -3.429 -32.811 106 HD2 HIS 516 HD2 HIS 516 -9.869 -4.758 -34.015 107 HE1 HIS 516 HE1 HIS 516 -10.440 -7.944 -31.250 108 HE2 HIS 516 HE2 HIS 516 -11.226 -6.941 -33.456 109 H ILE 517 H ILE 517 -5.708 -3.526 -34.232 110 HA ILE 517 HA ILE 517 -6.346 -5.856 -35.888 111 HB ILE 517 HB ILE 517 -5.224 -3.087 -36.605 112 HG12 ILE 517 HG12 ILE 517 -8.011 -4.333 -36.624 113 HG13 ILE 517 HG13 ILE 517 -7.453 -2.983 -35.642 114 HG21 ILE 517 HG21 ILE 517 -6.311 -5.268 -38.456 115 HG22 ILE 517 HG22 ILE 517 -5.798 -3.636 -38.943 116 HG23 ILE 517 HG23 ILE 517 -4.607 -4.771 -38.358 117 HD11 ILE 517 HD11 ILE 517 -7.183 -1.634 -37.762 118 HD12 ILE 517 HD12 ILE 517 -7.961 -2.975 -38.629 119 HD13 ILE 517 HD13 ILE 517 -8.845 -2.112 -37.365 120 H CYS 518 H CYS 518 -3.365 -3.802 -35.942 121 HA CYS 518 HA CYS 518 -1.882 -5.939 -37.204 122 HB2 CYS 518 HB2 CYS 518 0.033 -4.359 -37.018 123 HB3 CYS 518 HB3 CYS 518 -1.390 -3.685 -37.794 124 H SER 519 H SER 519 -2.053 -4.676 -33.872 125 HA SER 519 HA SER 519 -1.216 -5.474 -31.860 126 HB2 SER 519 HB2 SER 519 -0.639 -8.096 -33.338 127 HB3 SER 519 HB3 SER 519 -0.812 -7.852 -31.611 128 HG SER 519 HG SER 519 -2.864 -7.520 -33.568 129 H SER 520 H SER 520 0.695 -4.583 -34.290 130 HA SER 520 HA SER 520 3.266 -5.725 -33.385 131 HB2 SER 520 HB2 SER 520 2.670 -3.633 -35.524 132 HB3 SER 520 HB3 SER 520 4.215 -4.460 -35.271 133 HG SER 520 HG SER 520 3.035 -5.456 -36.951 134 H GLN 521 H GLN 521 1.316 -3.120 -32.423 135 HA GLN 521 HA GLN 521 3.394 -1.894 -30.816 136 HB2 GLN 521 HB2 GLN 521 3.314 0.353 -31.887 137 HB3 GLN 521 HB3 GLN 521 4.007 -0.826 -32.966 138 HG2 GLN 521 HG2 GLN 521 2.134 -0.801 -34.405 139 HG3 GLN 521 HG3 GLN 521 1.047 -0.179 -33.167 140 HE21 GLN 521 HE21 GLN 521 1.369 2.119 -32.397 141 HE22 GLN 521 HE22 GLN 521 2.008 3.253 -33.579 142 HA PRO 522 HA PRO 522 -0.277 -0.571 -28.671 143 HB2 PRO 522 HB2 PRO 522 0.579 1.627 -27.277 144 HB3 PRO 522 HB3 PRO 522 1.134 -0.033 -26.915 145 HG2 PRO 522 HG2 PRO 522 2.545 2.063 -28.593 146 HG3 PRO 522 HG3 PRO 522 3.222 1.071 -27.260 147 HD2 PRO 522 HD2 PRO 522 3.537 0.380 -29.856 148 HD3 PRO 522 HD3 PRO 522 3.277 -0.864 -28.605 149 H GLY 523 H GLY 523 -2.029 0.881 -28.812 150 HA2 GLY 523 HA2 GLY 523 -1.812 2.822 -31.072 151 HA3 GLY 523 HA3 GLY 523 -3.307 2.091 -30.470 152 HA PRO 524 HA PRO 524 -2.187 6.114 -28.056 153 HB2 PRO 524 HB2 PRO 524 -2.306 8.252 -29.763 154 HB3 PRO 524 HB3 PRO 524 -0.818 7.288 -29.531 155 HG2 PRO 524 HG2 PRO 524 -2.863 7.055 -31.747 156 HG3 PRO 524 HG3 PRO 524 -1.081 7.123 -31.895 157 HD2 PRO 524 HD2 PRO 524 -2.521 4.780 -31.897 158 HD3 PRO 524 HD3 PRO 524 -0.854 4.879 -31.241 159 H PHE 525 H PHE 525 -4.568 5.205 -30.431 160 HA PHE 525 HA PHE 525 -6.616 7.014 -29.210 161 HB2 PHE 525 HB2 PHE 525 -6.764 5.411 -31.796 162 HB3 PHE 525 HB3 PHE 525 -7.945 6.576 -31.217 163 HD1 PHE 525 HD2 PHE 525 -7.049 9.041 -30.815 164 HD2 PHE 525 HD1 PHE 525 -5.111 6.114 -33.320 165 HE1 PHE 525 HE2 PHE 525 -5.843 10.856 -32.006 166 HE2 PHE 525 HE1 PHE 525 -3.875 7.930 -34.478 167 HZ PHE 525 HZ PHE 525 -4.252 10.302 -33.837 168 H PHE 526 H PHE 526 -8.441 6.192 -28.256 169 HA PHE 526 HA PHE 526 -8.799 3.219 -28.258 170 HB2 PHE 526 HB2 PHE 526 -7.976 3.710 -26.061 171 HB3 PHE 526 HB3 PHE 526 -8.952 5.168 -25.931 172 HD1 PHE 526 HD1 PHE 526 -9.101 1.444 -25.892 173 HD2 PHE 526 HD2 PHE 526 -11.257 5.096 -25.227 174 HE1 PHE 526 HE1 PHE 526 -10.926 0.159 -24.802 175 HE2 PHE 526 HE2 PHE 526 -13.097 3.821 -24.150 176 HZ PHE 526 HZ PHE 526 -12.923 1.348 -23.923 177 H CYS 527 H CYS 527 -10.793 2.543 -28.820 178 HA CYS 527 HA CYS 527 -12.844 4.641 -29.364 179 HB2 CYS 527 HB2 CYS 527 -12.183 3.098 -31.193 180 HB3 CYS 527 HB3 CYS 527 -12.695 1.718 -30.220 181 H ARG 528 H ARG 528 -14.723 4.793 -28.254 182 HA ARG 528 HA ARG 528 -14.991 3.080 -25.853 183 HB2 ARG 528 HB2 ARG 528 -16.767 4.829 -25.257 184 HB3 ARG 528 HB3 ARG 528 -15.113 5.365 -25.384 185 HG2 ARG 528 HG2 ARG 528 -16.633 7.020 -26.276 186 HG3 ARG 528 HG3 ARG 528 -15.512 6.461 -27.506 187 HD2 ARG 528 HD2 ARG 528 -17.299 5.094 -28.521 188 HD3 ARG 528 HD3 ARG 528 -18.431 5.603 -27.248 189 HE ARG 528 HE ARG 528 -17.504 7.964 -28.344 190 HH11 ARG 528 HH11 ARG 528 -19.198 5.156 -29.715 191 HH12 ARG 528 HH12 ARG 528 -19.821 6.085 -31.039 192 HH21 ARG 528 HH21 ARG 528 -18.382 9.085 -30.102 193 HH22 ARG 528 HH22 ARG 528 -19.301 8.230 -31.304 194 H ASP 529 H ASP 529 -16.222 2.910 -28.988 195 HA ASP 529 HA ASP 529 -19.013 2.373 -28.425 196 HB2 ASP 529 HB2 ASP 529 -17.935 3.112 -30.665 197 HB3 ASP 529 HB3 ASP 529 -17.484 1.401 -30.861 198 H GLN 530 H GLN 530 -20.128 0.374 -28.454 199 HA GLN 530 HA GLN 530 -18.825 -1.800 -27.112 200 HB2 GLN 530 HB2 GLN 530 -21.269 -1.211 -27.019 201 HB3 GLN 530 HB3 GLN 530 -21.455 -1.830 -28.666 202 HG2 GLN 530 HG2 GLN 530 -20.802 -4.091 -27.899 203 HG3 GLN 530 HG3 GLN 530 -20.472 -3.467 -26.282 204 HE21 GLN 530 HE21 GLN 530 -22.081 -5.436 -25.964 205 HE22 GLN 530 HE22 GLN 530 -23.774 -4.968 -25.894 206 H VAL 531 H VAL 531 -19.286 -1.022 -30.546 207 HA VAL 531 HA VAL 531 -18.876 -3.686 -31.619 208 HB VAL 531 HB VAL 531 -18.488 -0.889 -32.712 209 HG11 VAL 531 HG11 VAL 531 -18.026 -3.471 -34.228 210 HG12 VAL 531 HG12 VAL 531 -18.341 -1.900 -34.994 211 HG13 VAL 531 HG13 VAL 531 -16.902 -2.101 -33.991 212 HG21 VAL 531 HG21 VAL 531 -20.403 -1.386 -34.139 213 HG22 VAL 531 HG22 VAL 531 -20.508 -3.032 -33.475 214 HG23 VAL 531 HG23 VAL 531 -20.846 -1.630 -32.434 215 H CYS 532 H CYS 532 -16.653 -1.072 -30.626 216 HA CYS 532 HA CYS 532 -14.315 -2.719 -31.504 217 HB2 CYS 532 HB2 CYS 532 -14.593 0.238 -30.868 218 HB3 CYS 532 HB3 CYS 532 -13.069 -0.545 -31.298 219 H PHE 533 H PHE 533 -14.615 -0.167 -28.982 220 HA PHE 533 HA PHE 533 -13.860 -0.076 -26.811 221 HB2 PHE 533 HB2 PHE 533 -15.778 -1.867 -26.798 222 HB3 PHE 533 HB3 PHE 533 -14.506 -3.031 -26.505 223 HD1 PHE 533 HD1 PHE 533 -15.530 0.439 -25.314 224 HD2 PHE 533 HD2 PHE 533 -14.163 -3.513 -24.207 225 HE1 PHE 533 HE1 PHE 533 -15.683 1.046 -22.920 226 HE2 PHE 533 HE2 PHE 533 -14.305 -2.882 -21.811 227 HZ PHE 533 HZ PHE 533 -15.068 -0.604 -21.162 228 H LYS 534 H LYS 534 -11.741 -0.266 -28.523 229 HA LYS 534 HA LYS 534 -9.718 -1.656 -26.913 230 HB2 LYS 534 HB2 LYS 534 -10.845 -3.211 -28.871 231 HB3 LYS 534 HB3 LYS 534 -9.621 -2.405 -29.821 232 HG2 LYS 534 HG2 LYS 534 -8.735 -4.490 -29.044 233 HG3 LYS 534 HG3 LYS 534 -7.891 -3.243 -28.131 234 HD2 LYS 534 HD2 LYS 534 -9.352 -3.694 -26.170 235 HD3 LYS 534 HD3 LYS 534 -10.285 -4.858 -27.132 236 HE2 LYS 534 HE2 LYS 534 -8.230 -6.226 -27.454 237 HE3 LYS 534 HE3 LYS 534 -7.307 -5.070 -26.484 238 HZ1 LYS 534 HZ1 LYS 534 -8.744 -5.612 -24.593 239 HZ2 LYS 534 HZ2 LYS 534 -8.026 -6.965 -25.157 240 HZ3 LYS 534 HZ3 LYS 534 -9.598 -6.678 -25.493 241 H TYR 535 H TYR 535 -7.476 -1.458 -28.211 242 HA TYR 535 HA TYR 535 -7.190 1.438 -28.767 243 HB2 TYR 535 HB2 TYR 535 -5.244 -0.823 -28.168 244 HB3 TYR 535 HB3 TYR 535 -4.701 0.733 -28.753 245 HD1 TYR 535 HD2 TYR 535 -7.407 0.158 -26.159 246 HD2 TYR 535 HD1 TYR 535 -3.371 1.413 -26.963 247 HE1 TYR 535 HE2 TYR 535 -7.274 1.132 -23.901 248 HE2 TYR 535 HE1 TYR 535 -3.188 2.303 -24.667 249 HH TYR 535 HH TYR 535 -4.218 2.546 -22.646 250 H PHE 536 H PHE 536 -6.143 2.297 -30.622 251 HA PHE 536 HA PHE 536 -5.509 0.449 -32.857 252 HB2 PHE 536 HB2 PHE 536 -7.509 2.720 -33.092 253 HB3 PHE 536 HB3 PHE 536 -6.890 1.791 -34.435 254 HD1 PHE 536 HD1 PHE 536 -9.165 1.755 -31.527 255 HD2 PHE 536 HD2 PHE 536 -7.701 -0.473 -34.919 256 HE1 PHE 536 HE1 PHE 536 -10.996 0.122 -31.245 257 HE2 PHE 536 HE2 PHE 536 -9.572 -2.087 -34.658 258 HZ PHE 536 HZ PHE 536 -11.213 -1.808 -32.812 259 H CYS 537 H CYS 537 -4.107 1.321 -34.417 260 HA CYS 537 HA CYS 537 -2.613 3.757 -33.686 261 HB2 CYS 537 HB2 CYS 537 -2.349 2.227 -36.293 262 HB3 CYS 537 HB3 CYS 537 -1.145 3.194 -35.454 263 H ARG 538 H ARG 538 -2.172 5.335 -35.647 264 HA ARG 538 HA ARG 538 -4.549 6.746 -36.258 265 HB2 ARG 538 HB2 ARG 538 -2.208 7.661 -36.357 266 HB3 ARG 538 HB3 ARG 538 -1.924 6.738 -37.820 267 HG2 ARG 538 HG2 ARG 538 -4.216 8.154 -38.522 268 HG3 ARG 538 HG3 ARG 538 -3.467 9.255 -37.373 269 HD2 ARG 538 HD2 ARG 538 -2.647 9.880 -39.501 270 HD3 ARG 538 HD3 ARG 538 -1.311 9.025 -38.737 271 HE ARG 538 HE ARG 538 -1.951 7.004 -40.067 272 HH11 ARG 538 HH21 ARG 538 -2.936 10.144 -41.390 273 HH12 ARG 538 HH22 ARG 538 -3.197 9.472 -42.970 274 HH21 ARG 538 HH11 ARG 538 -2.293 6.233 -42.070 275 HH22 ARG 538 HH12 ARG 538 -2.800 7.289 -43.367 276 H SER 539 H SER 539 -2.591 4.730 -38.545 277 HA SER 539 HA SER 539 -4.514 4.923 -40.670 278 HB2 SER 539 HB2 SER 539 -2.345 2.823 -40.251 279 HB3 SER 539 HB3 SER 539 -3.131 3.239 -41.788 280 HG SER 539 HG SER 539 -1.022 4.267 -41.365 281 H CYS 540 H CYS 540 -4.030 2.552 -38.051 282 HA CYS 540 HA CYS 540 -5.822 0.537 -39.090 283 HB2 CYS 540 HB2 CYS 540 -4.968 1.143 -36.236 284 HB3 CYS 540 HB3 CYS 540 -5.742 -0.344 -36.755 285 H TRP 541 H TRP 541 -6.221 3.338 -36.896 286 HA TRP 541 HA TRP 541 -8.957 2.855 -36.193 287 HB2 TRP 541 HB2 TRP 541 -7.526 4.422 -34.956 288 HB3 TRP 541 HB3 TRP 541 -7.320 5.428 -36.378 289 HD1 TRP 541 HD1 TRP 541 -9.511 6.784 -37.232 290 HE1 TRP 541 HE1 TRP 541 -11.608 7.632 -35.999 291 HE3 TRP 541 HE3 TRP 541 -8.827 4.398 -32.778 292 HZ2 TRP 541 HZ2 TRP 541 -13.000 7.001 -33.502 293 HZ3 TRP 541 HZ3 TRP 541 -10.473 4.613 -30.969 294 HH2 TRP 541 HH2 TRP 541 -12.610 5.837 -31.341 295 H HIS 542 H HIS 542 -7.429 4.838 -38.784 296 HA HIS 542 HA HIS 542 -9.813 5.826 -39.951 297 HB2 HIS 542 HB2 HIS 542 -7.110 5.141 -41.192 298 HB3 HIS 542 HB3 HIS 542 -8.400 5.982 -42.047 299 HD2 HIS 542 HD2 HIS 542 -5.643 7.406 -41.682 300 HE1 HIS 542 HE1 HIS 542 -7.630 9.888 -38.850 301 HE2 HIS 542 HE2 HIS 542 -5.603 9.693 -40.380 302 H TRP 543 H TRP 543 -8.001 2.769 -40.589 303 HA TRP 543 HA TRP 543 -9.689 1.857 -42.724 304 HB2 TRP 543 HB2 TRP 543 -7.427 0.970 -42.228 305 HB3 TRP 543 HB3 TRP 543 -8.009 0.273 -40.725 306 HD1 TRP 543 HD1 TRP 543 -8.000 -0.254 -44.474 307 HE1 TRP 543 HE1 TRP 543 -8.854 -2.600 -45.056 308 HE3 TRP 543 HE3 TRP 543 -9.683 -1.676 -39.846 309 HZ2 TRP 543 HZ2 TRP 543 -10.109 -4.816 -43.688 310 HZ3 TRP 543 HZ3 TRP 543 -10.712 -3.906 -39.519 311 HH2 TRP 543 HH2 TRP 543 -10.929 -5.485 -41.427 312 H ARG 544 H ARG 544 -9.760 1.272 -39.161 313 HA ARG 544 HA ARG 544 -11.849 -0.664 -39.195 314 HB2 ARG 544 HB2 ARG 544 -10.337 -0.277 -37.279 315 HB3 ARG 544 HB3 ARG 544 -11.031 1.314 -37.015 316 HG2 ARG 544 HG2 ARG 544 -11.889 -0.265 -35.390 317 HG3 ARG 544 HG3 ARG 544 -13.209 0.290 -36.414 318 HD2 ARG 544 HD2 ARG 544 -13.120 -1.803 -37.713 319 HD3 ARG 544 HD3 ARG 544 -11.709 -2.340 -36.773 320 HE ARG 544 HE ARG 544 -13.853 -1.727 -34.997 321 HH11 ARG 544 HH12 ARG 544 -13.033 -4.213 -37.380 322 HH12 ARG 544 HH11 ARG 544 -13.969 -5.432 -36.572 323 HH21 ARG 544 HH21 ARG 544 -15.042 -3.374 -33.991 324 HH22 ARG 544 HH22 ARG 544 -15.084 -4.958 -34.690 325 H HIS 545 H HIS 545 -11.989 2.892 -38.656 326 HA HIS 545 HA HIS 545 -14.906 2.739 -38.312 327 HB2 HIS 545 HB2 HIS 545 -12.979 5.114 -38.233 328 HB3 HIS 545 HB3 HIS 545 -14.683 5.139 -37.736 329 HD1 HIS 545 HD1 HIS 545 -11.307 4.208 -36.378 330 HD2 HIS 545 HD2 HIS 545 -15.320 3.205 -35.756 331 HE1 HIS 545 HE1 HIS 545 -11.400 3.010 -34.118 332 H SER 546 H SER 546 -13.068 2.803 -41.076 333 HA SER 546 HA SER 546 -14.645 4.686 -42.688 334 HB2 SER 546 HB2 SER 546 -12.765 2.398 -43.324 335 HB3 SER 546 HB3 SER 546 -13.653 3.263 -44.585 336 HG SER 546 HG SER 546 -11.730 4.349 -42.793 337 H MET 547 H MET 547 -14.841 1.309 -41.665 338 HA MET 547 HA MET 547 -16.647 0.280 -43.568 339 HB2 MET 547 HB2 MET 547 -16.525 -0.372 -40.587 340 HB3 MET 547 HB3 MET 547 -17.222 -1.388 -41.852 341 HG2 MET 547 HG2 MET 547 -14.288 -0.640 -41.531 342 HG3 MET 547 HG3 MET 547 -15.017 -2.200 -41.204 343 HE1 MET 547 HE1 MET 547 -12.962 -3.182 -42.573 344 HE2 MET 547 HE2 MET 547 -12.599 -2.753 -44.257 345 HE3 MET 547 HE3 MET 547 -12.397 -1.547 -42.972 346 H GLU 548 H GLU 548 -18.825 0.347 -43.880 347 HA GLU 548 HA GLU 548 -20.336 2.543 -42.904 348 HB2 GLU 548 HB2 GLU 548 -20.760 1.275 -45.020 349 HB3 GLU 548 HB3 GLU 548 -21.367 -0.087 -44.071 350 HG2 GLU 548 HG2 GLU 548 -23.202 1.330 -43.197 351 HG3 GLU 548 HG3 GLU 548 -22.543 2.731 -44.048 352 H GLY 549 H GLY 549 -21.707 2.843 -41.202 353 HA2 GLY 549 HA2 GLY 549 -23.243 2.096 -39.524 354 HA3 GLY 549 HA3 GLY 549 -22.497 0.487 -39.557 355 H LEU 550 H LEU 550 -19.771 2.129 -39.519 356 HA LEU 550 HA LEU 550 -19.729 2.489 -36.532 357 HB2 LEU 550 HB2 LEU 550 -17.548 1.663 -38.497 358 HB3 LEU 550 HB3 LEU 550 -17.252 2.152 -36.831 359 HG LEU 550 HG LEU 550 -18.609 0.284 -35.989 360 HD11 LEU 550 HD11 LEU 550 -18.555 -0.719 -38.859 361 HD12 LEU 550 HD12 LEU 550 -19.995 -0.372 -37.862 362 HD13 LEU 550 HD13 LEU 550 -18.941 -1.699 -37.418 363 HD21 LEU 550 HD21 LEU 550 -16.124 -0.176 -37.684 364 HD22 LEU 550 HD22 LEU 550 -16.742 -1.378 -36.536 365 HD23 LEU 550 HD23 LEU 550 -16.219 0.207 -35.950 366 H ARG 551 H ARG 551 -20.220 4.430 -39.021 367 HA ARG 551 HA ARG 551 -17.989 6.247 -39.046 368 HB2 ARG 551 HB2 ARG 551 -20.866 6.922 -39.771 369 HB3 ARG 551 HB3 ARG 551 -19.394 7.682 -40.360 370 HG2 ARG 551 HG2 ARG 551 -20.564 4.995 -41.102 371 HG3 ARG 551 HG3 ARG 551 -20.224 6.366 -42.136 372 HD2 ARG 551 HD2 ARG 551 -18.252 4.405 -40.921 373 HD3 ARG 551 HD3 ARG 551 -18.637 4.604 -42.623 374 HE ARG 551 HE ARG 551 -16.654 5.946 -41.108 375 HH11 ARG 551 HH11 ARG 551 -18.827 6.602 -43.826 376 HH12 ARG 551 HH12 ARG 551 -17.791 7.839 -44.473 377 HH21 ARG 551 HH21 ARG 551 -15.421 7.608 -41.937 378 HH22 ARG 551 HH22 ARG 551 -15.877 8.389 -43.421 379 H HIS 552 H HIS 552 -20.443 5.746 -36.697 380 HA HIS 552 HA HIS 552 -20.516 8.544 -35.745 381 HB2 HIS 552 HB2 HIS 552 -22.182 7.701 -34.150 382 HB3 HIS 552 HB3 HIS 552 -22.576 7.179 -35.783 383 HD2 HIS 552 HD2 HIS 552 -21.774 5.838 -32.341 384 HE1 HIS 552 HE1 HIS 552 -21.579 2.420 -34.848 385 HE2 HIS 552 HE2 HIS 552 -21.586 3.234 -32.423 386 H HIS 553 H HIS 553 -18.241 6.160 -35.423 387 HA HIS 553 HA HIS 553 -17.845 6.155 -32.531 388 HB2 HIS 553 HB2 HIS 553 -16.116 5.232 -34.846 389 HB3 HIS 553 HB3 HIS 553 -15.687 5.006 -33.159 390 HD2 HIS 553 HD2 HIS 553 -19.348 4.311 -34.092 391 HE1 HIS 553 HE1 HIS 553 -17.425 0.535 -33.752 392 HE2 HIS 553 HE2 HIS 553 -19.677 1.702 -34.025 393 H SER 554 H SER 554 -16.113 7.087 -31.347 394 HA SER 554 HA SER 554 -14.396 9.092 -32.705 395 HB2 SER 554 HB2 SER 554 -16.115 9.789 -30.285 396 HB3 SER 554 HB3 SER 554 -14.947 10.849 -31.080 397 HG SER 554 HG SER 554 -17.042 11.350 -31.786 398 HA PRO 555 HA PRO 555 -11.594 7.401 -29.698 399 HB2 PRO 555 HB2 PRO 555 -9.431 9.022 -30.044 400 HB3 PRO 555 HB3 PRO 555 -10.006 7.927 -31.335 401 HG2 PRO 555 HG2 PRO 555 -10.541 10.894 -31.039 402 HG3 PRO 555 HG3 PRO 555 -10.051 9.993 -32.505 403 HD2 PRO 555 HD2 PRO 555 -12.674 10.664 -31.905 404 HD3 PRO 555 HD3 PRO 555 -12.213 9.231 -32.878 405 H LEU 556 H LEU 556 -11.288 7.605 -27.517 406 HA LEU 556 HA LEU 556 -12.303 9.924 -26.140 407 HB2 LEU 556 HB2 LEU 556 -10.757 7.473 -25.177 408 HB3 LEU 556 HB3 LEU 556 -11.371 8.727 -24.113 409 HG LEU 556 HG LEU 556 -12.964 6.717 -25.713 410 HD11 LEU 556 HD11 LEU 556 -13.947 6.280 -23.498 411 HD12 LEU 556 HD12 LEU 556 -13.045 7.642 -22.799 412 HD13 LEU 556 HD13 LEU 556 -12.177 6.208 -23.379 413 HD21 LEU 556 HD21 LEU 556 -13.869 9.403 -24.624 414 HD22 LEU 556 HD22 LEU 556 -15.007 8.040 -24.857 415 HD23 LEU 556 HD23 LEU 556 -14.116 8.698 -26.248 416 H MET 557 H MET 557 -11.176 11.205 -24.554 417 HA MET 557 HA MET 557 -8.238 11.401 -24.755 418 HB2 MET 557 HB2 MET 557 -8.960 12.795 -26.653 419 HB3 MET 557 HB3 MET 557 -10.063 13.697 -25.616 420 HG2 MET 557 HG2 MET 557 -7.996 14.937 -26.121 421 HG3 MET 557 HG3 MET 557 -8.219 14.692 -24.401 422 HE1 MET 557 HE1 MET 557 -4.392 14.730 -24.497 423 HE2 MET 557 HE2 MET 557 -5.552 15.767 -25.352 424 HE3 MET 557 HE3 MET 557 -5.870 15.272 -23.674 425 H ARG 558 H ARG 558 -7.303 12.489 -22.985 426 HA ARG 558 HA ARG 558 -8.815 12.488 -20.544 427 HB2 ARG 558 HB2 ARG 558 -6.339 12.142 -20.711 428 HB3 ARG 558 HB3 ARG 558 -6.152 13.838 -21.171 429 HG2 ARG 558 HG2 ARG 558 -7.196 14.479 -18.935 430 HG3 ARG 558 HG3 ARG 558 -7.246 12.761 -18.525 431 HD2 ARG 558 HD2 ARG 558 -5.323 13.811 -17.488 432 HD3 ARG 558 HD3 ARG 558 -4.773 12.668 -18.706 433 HE ARG 558 HE ARG 558 -4.964 15.647 -19.141 434 HH11 ARG 558 HH21 ARG 558 -3.114 12.665 -19.716 435 HH12 ARG 558 HH22 ARG 558 -1.902 13.523 -20.622 436 HH21 ARG 558 HH11 ARG 558 -3.475 16.621 -20.300 437 HH22 ARG 558 HH12 ARG 558 -2.091 15.770 -20.958 438 H ASN 559 H ASN 559 -10.038 14.016 -19.594 439 HA ASN 559 HA ASN 559 -10.494 16.573 -20.940 440 HB2 ASN 559 HB2 ASN 559 -12.344 15.319 -19.876 441 HB3 ASN 559 HB3 ASN 559 -11.553 15.448 -18.303 442 HD21 ASN 559 HD21 ASN 559 -13.027 17.406 -20.952 443 HD22 ASN 559 HD22 ASN 559 -13.452 18.749 -19.905 444 H GLN 560 H GLN 560 -9.552 18.492 -20.497 445 HA GLN 560 HA GLN 560 -7.620 18.665 -18.250 446 HB2 GLN 560 HB2 GLN 560 -8.258 20.530 -20.587 447 HB3 GLN 560 HB3 GLN 560 -7.079 20.896 -19.328 448 HG2 GLN 560 HG2 GLN 560 -6.942 18.509 -21.235 449 HG3 GLN 560 HG3 GLN 560 -6.036 20.009 -21.394 450 HE21 GLN 560 HE21 GLN 560 -4.700 20.585 -19.229 451 HE22 GLN 560 HE22 GLN 560 -3.835 19.204 -18.574 452 H LYS 561 H LYS 561 -8.959 18.791 -16.427 453 HA LYS 561 HA LYS 561 -11.266 20.495 -16.267 454 HB2 LYS 561 HB2 LYS 561 -10.837 18.476 -14.855 455 HB3 LYS 561 HB3 LYS 561 -9.546 19.350 -14.018 456 HG2 LYS 561 HG2 LYS 561 -11.213 21.003 -13.180 457 HG3 LYS 561 HG3 LYS 561 -12.483 20.193 -14.107 458 HD2 LYS 561 HD2 LYS 561 -12.649 19.540 -11.791 459 HD3 LYS 561 HD3 LYS 561 -12.149 18.135 -12.744 460 HE2 LYS 561 HE2 LYS 561 -9.791 18.492 -12.041 461 HE3 LYS 561 HE3 LYS 561 -10.267 19.938 -11.142 462 HZ1 LYS 561 HZ1 LYS 561 -11.199 17.182 -10.550 463 HZ2 LYS 561 HZ2 LYS 561 -11.636 18.520 -9.716 464 HZ3 LYS 561 HZ3 LYS 561 -10.085 18.009 -9.688 465 H ASN 562 H ASN 562 -7.844 20.935 -15.290 466 HA ASN 562 HA ASN 562 -8.333 23.491 -13.979 467 HB2 ASN 562 HB2 ASN 562 -5.761 22.096 -14.866 468 HB3 ASN 562 HB3 ASN 562 -5.814 23.598 -13.952 469 HD21 ASN 562 HD21 ASN 562 -4.368 21.957 -12.649 470 HD22 ASN 562 HD22 ASN 562 -5.232 21.122 -11.362 471 H ARG 563 H ARG 563 -8.005 25.558 -14.737 472 HA ARG 563 HA ARG 563 -8.095 26.072 -17.579 473 HB2 ARG 563 HB2 ARG 563 -9.035 27.579 -15.814 474 HB3 ARG 563 HB3 ARG 563 -7.395 27.929 -15.269 475 HG2 ARG 563 HG2 ARG 563 -6.951 28.844 -17.653 476 HG3 ARG 563 HG3 ARG 563 -8.687 28.654 -17.938 477 HD2 ARG 563 HD2 ARG 563 -8.243 30.943 -17.301 478 HD3 ARG 563 HD3 ARG 563 -9.108 30.161 -15.962 479 HE ARG 563 HE ARG 563 -6.248 29.917 -15.618 480 HH11 ARG 563 HH11 ARG 563 -8.758 32.393 -15.222 481 HH12 ARG 563 HH12 ARG 563 -7.836 33.215 -13.996 482 HH21 ARG 563 HH21 ARG 563 -5.185 30.929 -14.133 483 HH22 ARG 563 HH22 ARG 563 -5.780 32.395 -13.366 484 H ASP 564 H ASP 564 -5.506 26.227 -15.107 485 HA ASP 564 HA ASP 564 -3.461 25.822 -17.166 486 HB2 ASP 564 HB2 ASP 564 -2.157 27.812 -16.619 487 HB3 ASP 564 HB3 ASP 564 -3.725 28.282 -17.241 488 H SER 565 H SER 565 -1.408 25.214 -16.269 489 HA SER 565 HA SER 565 -1.062 24.972 -13.368 490 HB2 SER 565 HB2 SER 565 -1.690 22.525 -15.078 491 HB3 SER 565 HB3 SER 565 -0.859 22.412 -13.523 492 HG SER 565 HG SER 565 -3.227 23.880 -13.569 493 H SER 566 H SER 566 1.034 23.947 -12.811 494 HA SER 566 HA SER 566 3.153 24.851 -14.520 495 HB2 SER 566 HB2 SER 566 3.262 22.864 -12.204 496 HB3 SER 566 HB3 SER 566 4.640 23.734 -12.901 497 HG SER 566 HG SER 566 3.829 24.759 -10.995 Start of MODEL 9 1 H1 GLY 502 H1 GLY 502 -15.966 -1.093 -0.634 2 H2 GLY 502 H2 GLY 502 -15.363 -2.420 -1.329 3 H3 GLY 502 H3 GLY 502 -16.595 -2.543 -0.304 4 HA2 GLY 502 HA2 GLY 502 -18.120 -1.466 -1.873 5 HA3 GLY 502 HA3 GLY 502 -16.759 -1.325 -3.005 6 HA PRO 503 HA PRO 503 -19.041 -5.413 -3.627 7 HB2 PRO 503 HB2 PRO 503 -20.169 -4.957 -6.085 8 HB3 PRO 503 HB3 PRO 503 -20.916 -4.385 -4.564 9 HG2 PRO 503 HG2 PRO 503 -19.159 -2.811 -6.477 10 HG3 PRO 503 HG3 PRO 503 -20.747 -2.338 -5.792 11 HD2 PRO 503 HD2 PRO 503 -18.378 -1.510 -4.705 12 HD3 PRO 503 HD3 PRO 503 -19.805 -1.874 -3.683 13 H VAL 504 H VAL 504 -18.554 -7.095 -5.243 14 HA VAL 504 HA VAL 504 -15.816 -6.847 -6.297 15 HB VAL 504 HB VAL 504 -16.150 -9.208 -6.993 16 HG11 VAL 504 HG11 VAL 504 -16.196 -10.172 -4.758 17 HG12 VAL 504 HG12 VAL 504 -15.295 -8.648 -4.746 18 HG13 VAL 504 HG13 VAL 504 -16.949 -8.707 -4.096 19 HG21 VAL 504 HG21 VAL 504 -18.118 -10.499 -6.302 20 HG22 VAL 504 HG22 VAL 504 -18.930 -9.029 -5.741 21 HG23 VAL 504 HG23 VAL 504 -18.576 -9.257 -7.469 22 H GLN 505 H GLN 505 -15.196 -7.194 -8.499 23 HA GLN 505 HA GLN 505 -17.194 -7.221 -10.626 24 HB2 GLN 505 HB2 GLN 505 -16.648 -5.039 -11.591 25 HB3 GLN 505 HB3 GLN 505 -17.285 -4.820 -9.969 26 HG2 GLN 505 HG2 GLN 505 -14.974 -4.463 -9.100 27 HG3 GLN 505 HG3 GLN 505 -14.321 -4.736 -10.717 28 HE21 GLN 505 HE21 GLN 505 -13.691 -2.781 -11.662 29 HE22 GLN 505 HE22 GLN 505 -14.619 -1.297 -11.473 30 H ILE 506 H ILE 506 -16.112 -7.048 -12.817 31 HA ILE 506 HA ILE 506 -13.300 -8.085 -12.699 32 HB ILE 506 HB ILE 506 -14.887 -9.667 -13.677 33 HG12 ILE 506 HG12 ILE 506 -13.846 -10.109 -15.850 34 HG13 ILE 506 HG13 ILE 506 -13.110 -8.511 -15.863 35 HG21 ILE 506 HG21 ILE 506 -16.120 -9.320 -15.722 36 HG22 ILE 506 HG22 ILE 506 -16.626 -8.109 -14.546 37 HG23 ILE 506 HG23 ILE 506 -15.531 -7.661 -15.874 38 HD11 ILE 506 HD11 ILE 506 -11.539 -10.320 -15.192 39 HD12 ILE 506 HD12 ILE 506 -11.717 -9.117 -13.910 40 HD13 ILE 506 HD13 ILE 506 -12.558 -10.682 -13.785 41 H ASP 507 H ASP 507 -11.708 -6.977 -13.735 42 HA ASP 507 HA ASP 507 -12.487 -4.366 -14.953 43 HB2 ASP 507 HB2 ASP 507 -9.833 -5.312 -13.796 44 HB3 ASP 507 HB3 ASP 507 -10.140 -3.703 -14.440 45 HA PRO 508 HA PRO 508 -11.013 -5.757 -18.889 46 HB2 PRO 508 HB2 PRO 508 -10.593 -3.391 -20.190 47 HB3 PRO 508 HB3 PRO 508 -12.219 -3.913 -19.662 48 HG2 PRO 508 HG2 PRO 508 -10.325 -2.011 -18.238 49 HG3 PRO 508 HG3 PRO 508 -12.063 -1.773 -18.605 50 HD2 PRO 508 HD2 PRO 508 -11.180 -2.683 -16.175 51 HD3 PRO 508 HD3 PRO 508 -12.724 -3.238 -16.893 52 H TYR 509 H TYR 509 -8.963 -3.848 -16.785 53 HA TYR 509 HA TYR 509 -6.671 -3.627 -16.571 54 HB2 TYR 509 HB2 TYR 509 -6.393 -6.019 -18.447 55 HB3 TYR 509 HB3 TYR 509 -5.276 -5.473 -17.219 56 HD1 TYR 509 HD2 TYR 509 -6.587 -5.192 -14.758 57 HD2 TYR 509 HD1 TYR 509 -7.474 -8.023 -17.887 58 HE1 TYR 509 HE2 TYR 509 -7.593 -6.725 -13.080 59 HE2 TYR 509 HE1 TYR 509 -8.488 -9.559 -16.211 60 HH TYR 509 HH TYR 509 -8.634 -8.745 -12.715 61 H LEU 510 H LEU 510 -8.155 -2.405 -18.971 62 HA LEU 510 HA LEU 510 -6.166 -2.261 -21.107 63 HB2 LEU 510 HB2 LEU 510 -8.637 -2.104 -21.463 64 HB3 LEU 510 HB3 LEU 510 -8.660 -0.580 -20.582 65 HG LEU 510 HG LEU 510 -7.349 0.503 -22.317 66 HD11 LEU 510 HD11 LEU 510 -7.305 -2.243 -23.645 67 HD12 LEU 510 HD12 LEU 510 -5.915 -1.237 -23.163 68 HD13 LEU 510 HD13 LEU 510 -6.944 -0.735 -24.504 69 HD21 LEU 510 HD21 LEU 510 -9.695 -1.095 -23.434 70 HD22 LEU 510 HD22 LEU 510 -9.029 0.395 -24.129 71 HD23 LEU 510 HD23 LEU 510 -9.799 0.434 -22.533 72 H GLU 511 H GLU 511 -4.467 -0.901 -21.222 73 HA GLU 511 HA GLU 511 -4.511 1.793 -20.119 74 HB2 GLU 511 HB2 GLU 511 -2.646 1.482 -18.519 75 HB3 GLU 511 HB3 GLU 511 -4.108 0.661 -18.015 76 HG2 GLU 511 HG2 GLU 511 -3.129 -1.515 -18.825 77 HG3 GLU 511 HG3 GLU 511 -1.631 -0.656 -19.201 78 H ASP 512 H ASP 512 -2.619 -0.943 -21.447 79 HA ASP 512 HA ASP 512 -1.380 0.857 -23.419 80 HB2 ASP 512 HB2 ASP 512 0.107 0.949 -21.345 81 HB3 ASP 512 HB3 ASP 512 0.399 -0.770 -21.537 82 H SER 513 H SER 513 -3.254 -1.092 -23.859 83 HA SER 513 HA SER 513 -2.080 -3.704 -24.294 84 HB2 SER 513 HB2 SER 513 -4.744 -2.528 -25.186 85 HB3 SER 513 HB3 SER 513 -4.307 -4.242 -25.279 86 HG SER 513 HG SER 513 -4.221 -4.345 -23.035 87 H LEU 514 H LEU 514 -1.678 -4.795 -26.241 88 HA LEU 514 HA LEU 514 -0.581 -3.232 -28.394 89 HB2 LEU 514 HB2 LEU 514 0.191 -5.519 -27.719 90 HB3 LEU 514 HB3 LEU 514 -1.347 -6.177 -28.261 91 HG LEU 514 HG LEU 514 -0.769 -5.429 -30.612 92 HD11 LEU 514 HD11 LEU 514 0.927 -3.700 -29.982 93 HD12 LEU 514 HD12 LEU 514 1.561 -4.885 -31.127 94 HD13 LEU 514 HD13 LEU 514 2.003 -4.982 -29.408 95 HD21 LEU 514 HD21 LEU 514 -0.469 -7.750 -29.877 96 HD22 LEU 514 HD22 LEU 514 1.143 -7.362 -29.236 97 HD23 LEU 514 HD23 LEU 514 0.830 -7.280 -30.982 98 H CYS 515 H CYS 515 -1.381 -2.712 -30.413 99 HA CYS 515 HA CYS 515 -4.271 -2.768 -30.842 100 HB2 CYS 515 HB2 CYS 515 -2.785 -0.940 -31.683 101 HB3 CYS 515 HB3 CYS 515 -1.977 -2.113 -32.719 102 H HIS 516 H HIS 516 -5.368 -4.522 -31.500 103 HA HIS 516 HA HIS 516 -4.028 -6.928 -32.295 104 HB2 HIS 516 HB2 HIS 516 -6.233 -7.883 -32.458 105 HB3 HIS 516 HB3 HIS 516 -6.192 -6.821 -31.058 106 HD2 HIS 516 HD2 HIS 516 -8.419 -7.690 -33.782 107 HE1 HIS 516 HE1 HIS 516 -9.376 -3.608 -33.067 108 HE2 HIS 516 HE2 HIS 516 -10.140 -5.752 -34.223 109 H ILE 517 H ILE 517 -5.328 -4.249 -34.175 110 HA ILE 517 HA ILE 517 -5.815 -5.616 -36.651 111 HB ILE 517 HB ILE 517 -5.031 -2.716 -36.107 112 HG12 ILE 517 HG12 ILE 517 -7.109 -3.232 -34.981 113 HG13 ILE 517 HG13 ILE 517 -7.408 -2.190 -36.354 114 HG21 ILE 517 HG21 ILE 517 -6.082 -3.990 -38.660 115 HG22 ILE 517 HG22 ILE 517 -6.108 -2.243 -38.341 116 HG23 ILE 517 HG23 ILE 517 -4.565 -3.093 -38.425 117 HD11 ILE 517 HD11 ILE 517 -9.156 -3.858 -36.209 118 HD12 ILE 517 HD12 ILE 517 -8.207 -4.161 -37.674 119 HD13 ILE 517 HD13 ILE 517 -7.979 -5.180 -36.234 120 H CYS 518 H CYS 518 -2.975 -3.590 -35.688 121 HA CYS 518 HA CYS 518 -1.438 -4.661 -37.966 122 HB2 CYS 518 HB2 CYS 518 0.247 -2.997 -37.253 123 HB3 CYS 518 HB3 CYS 518 -1.360 -2.305 -37.517 124 H SER 519 H SER 519 -1.517 -4.913 -34.408 125 HA SER 519 HA SER 519 -0.487 -6.385 -32.953 126 HB2 SER 519 HB2 SER 519 -1.092 -7.940 -35.039 127 HB3 SER 519 HB3 SER 519 0.670 -8.044 -35.199 128 HG SER 519 HG SER 519 -0.201 -9.701 -33.844 129 H SER 520 H SER 520 1.083 -4.135 -34.509 130 HA SER 520 HA SER 520 3.861 -5.126 -33.975 131 HB2 SER 520 HB2 SER 520 4.571 -3.356 -35.545 132 HB3 SER 520 HB3 SER 520 3.410 -4.466 -36.284 133 HG SER 520 HG SER 520 2.765 -2.426 -36.829 134 H GLN 521 H GLN 521 1.455 -2.900 -32.817 135 HA GLN 521 HA GLN 521 3.233 -1.765 -30.805 136 HB2 GLN 521 HB2 GLN 521 3.173 0.572 -31.593 137 HB3 GLN 521 HB3 GLN 521 3.895 -0.440 -32.820 138 HG2 GLN 521 HG2 GLN 521 1.388 -0.523 -33.775 139 HG3 GLN 521 HG3 GLN 521 1.215 0.943 -32.810 140 HE21 GLN 521 HE21 GLN 521 2.973 -0.586 -35.519 141 HE22 GLN 521 HE22 GLN 521 3.515 0.933 -36.231 142 HA PRO 522 HA PRO 522 -0.766 -1.073 -28.946 143 HB2 PRO 522 HB2 PRO 522 -0.196 0.744 -26.989 144 HB3 PRO 522 HB3 PRO 522 0.450 -0.922 -26.958 145 HG2 PRO 522 HG2 PRO 522 1.844 1.590 -27.930 146 HG3 PRO 522 HG3 PRO 522 2.472 0.336 -26.816 147 HD2 PRO 522 HD2 PRO 522 3.036 0.366 -29.491 148 HD3 PRO 522 HD3 PRO 522 2.869 -1.162 -28.576 149 H GLY 523 H GLY 523 -2.554 0.371 -28.940 150 HA2 GLY 523 HA2 GLY 523 -2.251 2.623 -30.839 151 HA3 GLY 523 HA3 GLY 523 -3.767 1.903 -30.285 152 HA PRO 524 HA PRO 524 -2.453 5.572 -27.466 153 HB2 PRO 524 HB2 PRO 524 -2.295 7.884 -28.904 154 HB3 PRO 524 HB3 PRO 524 -0.919 6.747 -28.785 155 HG2 PRO 524 HG2 PRO 524 -2.944 6.994 -31.030 156 HG3 PRO 524 HG3 PRO 524 -1.159 6.901 -31.155 157 HD2 PRO 524 HD2 PRO 524 -2.825 4.723 -31.440 158 HD3 PRO 524 HD3 PRO 524 -1.160 4.589 -30.788 159 H PHE 525 H PHE 525 -4.750 5.359 -30.138 160 HA PHE 525 HA PHE 525 -6.658 7.221 -28.826 161 HB2 PHE 525 HB2 PHE 525 -6.895 5.695 -31.451 162 HB3 PHE 525 HB3 PHE 525 -7.977 6.949 -30.870 163 HD1 PHE 525 HD2 PHE 525 -6.698 9.268 -30.227 164 HD2 PHE 525 HD1 PHE 525 -5.318 6.327 -33.066 165 HE1 PHE 525 HE2 PHE 525 -5.313 10.998 -31.349 166 HE2 PHE 525 HE1 PHE 525 -3.932 8.060 -34.179 167 HZ PHE 525 HZ PHE 525 -3.926 10.395 -33.324 168 H PHE 526 H PHE 526 -8.573 6.601 -27.915 169 HA PHE 526 HA PHE 526 -9.088 3.647 -27.735 170 HB2 PHE 526 HB2 PHE 526 -8.531 4.529 -25.557 171 HB3 PHE 526 HB3 PHE 526 -9.579 5.916 -25.774 172 HD1 PHE 526 HD1 PHE 526 -9.751 2.146 -25.588 173 HD2 PHE 526 HD2 PHE 526 -11.772 5.890 -24.911 174 HE1 PHE 526 HE1 PHE 526 -11.638 0.937 -24.530 175 HE2 PHE 526 HE2 PHE 526 -13.667 4.674 -23.871 176 HZ PHE 526 HZ PHE 526 -13.590 2.199 -23.660 177 H CYS 527 H CYS 527 -11.035 2.873 -28.371 178 HA CYS 527 HA CYS 527 -13.075 4.855 -29.308 179 HB2 CYS 527 HB2 CYS 527 -12.231 3.128 -30.927 180 HB3 CYS 527 HB3 CYS 527 -12.877 1.867 -29.876 181 H ARG 528 H ARG 528 -14.952 5.100 -28.220 182 HA ARG 528 HA ARG 528 -15.297 3.524 -25.736 183 HB2 ARG 528 HB2 ARG 528 -17.075 5.299 -25.277 184 HB3 ARG 528 HB3 ARG 528 -15.426 5.843 -25.421 185 HG2 ARG 528 HG2 ARG 528 -16.904 7.439 -26.431 186 HG3 ARG 528 HG3 ARG 528 -15.839 6.768 -27.654 187 HD2 ARG 528 HD2 ARG 528 -17.689 5.372 -28.503 188 HD3 ARG 528 HD3 ARG 528 -18.765 6.004 -27.239 189 HE ARG 528 HE ARG 528 -17.892 8.274 -28.464 190 HH11 ARG 528 HH11 ARG 528 -19.416 5.362 -29.818 191 HH12 ARG 528 HH12 ARG 528 -19.986 6.217 -31.213 192 HH21 ARG 528 HH21 ARG 528 -18.709 9.300 -30.287 193 HH22 ARG 528 HH22 ARG 528 -19.528 8.384 -31.519 194 H ASP 529 H ASP 529 -16.464 3.211 -28.898 195 HA ASP 529 HA ASP 529 -19.263 2.713 -28.369 196 HB2 ASP 529 HB2 ASP 529 -18.132 3.335 -30.616 197 HB3 ASP 529 HB3 ASP 529 -17.685 1.616 -30.719 198 H GLN 530 H GLN 530 -20.401 0.724 -28.341 199 HA GLN 530 HA GLN 530 -19.167 -1.395 -26.859 200 HB2 GLN 530 HB2 GLN 530 -21.608 -0.791 -26.873 201 HB3 GLN 530 HB3 GLN 530 -21.744 -1.466 -28.500 202 HG2 GLN 530 HG2 GLN 530 -21.161 -3.706 -27.637 203 HG3 GLN 530 HG3 GLN 530 -20.854 -3.033 -26.030 204 HE21 GLN 530 HE21 GLN 530 -23.486 -3.453 -28.499 205 HE22 GLN 530 HE22 GLN 530 -24.763 -3.522 -27.294 206 H VAL 531 H VAL 531 -19.506 -0.781 -30.340 207 HA VAL 531 HA VAL 531 -19.095 -3.493 -31.274 208 HB VAL 531 HB VAL 531 -18.598 -0.758 -32.487 209 HG11 VAL 531 HG11 VAL 531 -18.411 -1.910 -34.708 210 HG12 VAL 531 HG12 VAL 531 -17.012 -2.077 -33.644 211 HG13 VAL 531 HG13 VAL 531 -18.160 -3.435 -33.836 212 HG21 VAL 531 HG21 VAL 531 -20.653 -2.884 -33.217 213 HG22 VAL 531 HG22 VAL 531 -20.991 -1.436 -32.243 214 HG23 VAL 531 HG23 VAL 531 -20.487 -1.267 -33.939 215 H CYS 532 H CYS 532 -16.861 -0.872 -30.327 216 HA CYS 532 HA CYS 532 -14.526 -2.601 -31.043 217 HB2 CYS 532 HB2 CYS 532 -14.756 0.394 -30.599 218 HB3 CYS 532 HB3 CYS 532 -13.256 -0.453 -30.984 219 H PHE 533 H PHE 533 -14.932 0.101 -28.688 220 HA PHE 533 HA PHE 533 -14.250 0.336 -26.501 221 HB2 PHE 533 HB2 PHE 533 -16.128 -1.480 -26.437 222 HB3 PHE 533 HB3 PHE 533 -14.845 -2.614 -26.070 223 HD1 PHE 533 HD2 PHE 533 -15.868 0.916 -25.030 224 HD2 PHE 533 HD1 PHE 533 -14.610 -3.024 -23.752 225 HE1 PHE 533 HE2 PHE 533 -16.078 1.602 -22.664 226 HE2 PHE 533 HE1 PHE 533 -14.802 -2.307 -21.384 227 HZ PHE 533 HZ PHE 533 -15.540 0.004 -20.836 228 H LYS 534 H LYS 534 -12.069 0.073 -28.151 229 HA LYS 534 HA LYS 534 -10.040 -1.035 -26.363 230 HB2 LYS 534 HB2 LYS 534 -9.116 -2.697 -27.894 231 HB3 LYS 534 HB3 LYS 534 -10.781 -3.084 -27.522 232 HG2 LYS 534 HG2 LYS 534 -11.362 -1.883 -29.783 233 HG3 LYS 534 HG3 LYS 534 -9.637 -2.054 -30.132 234 HD2 LYS 534 HD2 LYS 534 -11.635 -4.272 -29.508 235 HD3 LYS 534 HD3 LYS 534 -10.905 -3.921 -31.078 236 HE2 LYS 534 HE2 LYS 534 -8.654 -4.484 -30.144 237 HE3 LYS 534 HE3 LYS 534 -9.398 -4.840 -28.580 238 HZ1 LYS 534 HZ1 LYS 534 -9.071 -6.863 -29.836 239 HZ2 LYS 534 HZ2 LYS 534 -9.941 -6.304 -31.100 240 HZ3 LYS 534 HZ3 LYS 534 -10.675 -6.611 -29.667 241 H TYR 535 H TYR 535 -7.793 -1.012 -27.715 242 HA TYR 535 HA TYR 535 -7.567 1.804 -28.547 243 HB2 TYR 535 HB2 TYR 535 -5.517 -0.351 -27.940 244 HB3 TYR 535 HB3 TYR 535 -5.104 1.273 -28.442 245 HD1 TYR 535 HD1 TYR 535 -7.739 2.130 -26.444 246 HD2 TYR 535 HD2 TYR 535 -3.844 0.312 -26.144 247 HE1 TYR 535 HE1 TYR 535 -7.599 2.846 -24.085 248 HE2 TYR 535 HE2 TYR 535 -3.667 1.091 -23.800 249 HH TYR 535 HH TYR 535 -6.275 3.014 -22.224 250 H PHE 536 H PHE 536 -6.487 2.553 -30.426 251 HA PHE 536 HA PHE 536 -5.738 0.587 -32.512 252 HB2 PHE 536 HB2 PHE 536 -7.728 2.820 -33.034 253 HB3 PHE 536 HB3 PHE 536 -7.048 1.771 -34.248 254 HD1 PHE 536 HD1 PHE 536 -9.430 1.977 -31.419 255 HD2 PHE 536 HD2 PHE 536 -7.956 -0.425 -34.682 256 HE1 PHE 536 HE1 PHE 536 -11.364 0.472 -31.181 257 HE2 PHE 536 HE2 PHE 536 -9.931 -1.911 -34.477 258 HZ PHE 536 HZ PHE 536 -11.634 -1.487 -32.711 259 H CYS 537 H CYS 537 -4.326 1.453 -34.105 260 HA CYS 537 HA CYS 537 -2.927 3.961 -33.392 261 HB2 CYS 537 HB2 CYS 537 -2.444 2.301 -35.885 262 HB3 CYS 537 HB3 CYS 537 -1.325 3.349 -35.019 263 H ARG 538 H ARG 538 -2.422 5.460 -35.395 264 HA ARG 538 HA ARG 538 -4.841 6.732 -36.159 265 HB2 ARG 538 HB2 ARG 538 -2.541 7.759 -36.119 266 HB3 ARG 538 HB3 ARG 538 -2.147 6.900 -37.611 267 HG2 ARG 538 HG2 ARG 538 -3.988 8.096 -38.783 268 HG3 ARG 538 HG3 ARG 538 -4.432 8.902 -37.264 269 HD2 ARG 538 HD2 ARG 538 -2.200 9.976 -37.186 270 HD3 ARG 538 HD3 ARG 538 -1.760 9.168 -38.707 271 HE ARG 538 HE ARG 538 -4.182 10.586 -39.121 272 HH11 ARG 538 HH11 ARG 538 -0.779 11.365 -38.545 273 HH12 ARG 538 HH12 ARG 538 -0.891 12.886 -39.378 274 HH21 ARG 538 HH21 ARG 538 -4.259 12.560 -40.181 275 HH22 ARG 538 HH22 ARG 538 -2.836 13.551 -40.290 276 H SER 539 H SER 539 -2.677 4.663 -38.198 277 HA SER 539 HA SER 539 -4.407 4.729 -40.497 278 HB2 SER 539 HB2 SER 539 -2.303 2.643 -39.775 279 HB3 SER 539 HB3 SER 539 -2.947 2.989 -41.390 280 HG SER 539 HG SER 539 -0.919 4.031 -41.035 281 H CYS 540 H CYS 540 -4.092 2.463 -37.748 282 HA CYS 540 HA CYS 540 -5.816 0.416 -38.831 283 HB2 CYS 540 HB2 CYS 540 -5.210 1.060 -35.925 284 HB3 CYS 540 HB3 CYS 540 -5.798 -0.475 -36.547 285 H TRP 541 H TRP 541 -6.346 3.254 -36.721 286 HA TRP 541 HA TRP 541 -9.102 2.768 -36.132 287 HB2 TRP 541 HB2 TRP 541 -7.713 4.394 -34.899 288 HB3 TRP 541 HB3 TRP 541 -7.503 5.367 -36.343 289 HD1 TRP 541 HD1 TRP 541 -9.769 6.577 -37.298 290 HE1 TRP 541 HE1 TRP 541 -11.933 7.347 -36.130 291 HE3 TRP 541 HE3 TRP 541 -8.965 4.522 -32.700 292 HZ2 TRP 541 HZ2 TRP 541 -13.323 6.719 -33.633 293 HZ3 TRP 541 HZ3 TRP 541 -10.662 4.693 -30.930 294 HH2 TRP 541 HH2 TRP 541 -12.889 5.708 -31.412 295 H HIS 542 H HIS 542 -7.474 4.673 -38.718 296 HA HIS 542 HA HIS 542 -9.794 5.622 -40.027 297 HB2 HIS 542 HB2 HIS 542 -7.528 6.407 -40.548 298 HB3 HIS 542 HB3 HIS 542 -7.080 4.822 -41.176 299 HD2 HIS 542 HD2 HIS 542 -7.626 4.312 -43.680 300 HE1 HIS 542 HE1 HIS 542 -10.047 7.702 -44.558 301 HE2 HIS 542 HE2 HIS 542 -8.906 5.651 -45.550 302 H TRP 543 H TRP 543 -7.961 2.543 -40.516 303 HA TRP 543 HA TRP 543 -9.586 1.548 -42.652 304 HB2 TRP 543 HB2 TRP 543 -7.375 0.637 -42.127 305 HB3 TRP 543 HB3 TRP 543 -7.921 0.101 -40.546 306 HD1 TRP 543 HD1 TRP 543 -8.191 -0.758 -44.249 307 HE1 TRP 543 HE1 TRP 543 -9.115 -3.132 -44.547 308 HE3 TRP 543 HE3 TRP 543 -9.347 -1.802 -39.361 309 HZ2 TRP 543 HZ2 TRP 543 -10.306 -5.181 -42.895 310 HZ3 TRP 543 HZ3 TRP 543 -10.429 -3.952 -38.767 311 HH2 TRP 543 HH2 TRP 543 -10.911 -5.647 -40.517 312 H ARG 544 H ARG 544 -9.779 1.069 -39.077 313 HA ARG 544 HA ARG 544 -11.860 -0.880 -39.149 314 HB2 ARG 544 HB2 ARG 544 -10.424 -0.544 -37.195 315 HB3 ARG 544 HB3 ARG 544 -11.018 1.096 -36.981 316 HG2 ARG 544 HG2 ARG 544 -12.008 -0.358 -35.331 317 HG3 ARG 544 HG3 ARG 544 -13.271 0.233 -36.394 318 HD2 ARG 544 HD2 ARG 544 -13.325 -1.905 -37.596 319 HD3 ARG 544 HD3 ARG 544 -11.927 -2.489 -36.665 320 HE ARG 544 HE ARG 544 -13.987 -1.700 -34.863 321 HH11 ARG 544 HH21 ARG 544 -13.396 -4.296 -37.194 322 HH12 ARG 544 HH22 ARG 544 -14.340 -5.445 -36.297 323 HH21 ARG 544 HH11 ARG 544 -15.184 -3.255 -33.740 324 HH22 ARG 544 HH12 ARG 544 -15.338 -4.859 -34.380 325 H HIS 545 H HIS 545 -12.015 2.680 -38.651 326 HA HIS 545 HA HIS 545 -14.932 2.522 -38.315 327 HB2 HIS 545 HB2 HIS 545 -13.005 4.897 -38.246 328 HB3 HIS 545 HB3 HIS 545 -14.716 4.936 -37.778 329 HD1 HIS 545 HD1 HIS 545 -11.358 3.938 -36.374 330 HD2 HIS 545 HD2 HIS 545 -15.421 3.193 -35.697 331 HE1 HIS 545 HE1 HIS 545 -11.502 2.802 -34.086 332 H SER 546 H SER 546 -12.950 2.763 -41.055 333 HA SER 546 HA SER 546 -14.520 4.575 -42.702 334 HB2 SER 546 HB2 SER 546 -12.648 2.263 -43.289 335 HB3 SER 546 HB3 SER 546 -13.526 3.100 -44.574 336 HG SER 546 HG SER 546 -11.608 4.199 -42.799 337 H MET 547 H MET 547 -14.785 1.177 -41.734 338 HA MET 547 HA MET 547 -16.650 0.248 -43.645 339 HB2 MET 547 HB2 MET 547 -16.520 -0.501 -40.688 340 HB3 MET 547 HB3 MET 547 -17.216 -1.466 -41.992 341 HG2 MET 547 HG2 MET 547 -14.277 -0.773 -41.601 342 HG3 MET 547 HG3 MET 547 -15.036 -2.329 -41.339 343 HE1 MET 547 HE1 MET 547 -12.366 -1.733 -43.016 344 HE2 MET 547 HE2 MET 547 -13.013 -3.354 -42.688 345 HE3 MET 547 HE3 MET 547 -12.586 -2.886 -44.347 346 H GLU 548 H GLU 548 -18.827 0.423 -43.913 347 HA GLU 548 HA GLU 548 -20.247 2.616 -42.779 348 HB2 GLU 548 HB2 GLU 548 -21.224 0.102 -44.211 349 HB3 GLU 548 HB3 GLU 548 -22.266 1.464 -43.778 350 HG2 GLU 548 HG2 GLU 548 -20.884 2.991 -45.143 351 HG3 GLU 548 HG3 GLU 548 -19.835 1.647 -45.609 352 H GLY 549 H GLY 549 -21.654 2.829 -41.082 353 HA2 GLY 549 HA2 GLY 549 -23.186 1.965 -39.443 354 HA3 GLY 549 HA3 GLY 549 -22.376 0.389 -39.521 355 H LEU 550 H LEU 550 -19.689 2.006 -39.419 356 HA LEU 550 HA LEU 550 -19.691 2.420 -36.438 357 HB2 LEU 550 HB2 LEU 550 -17.501 1.502 -38.346 358 HB3 LEU 550 HB3 LEU 550 -17.210 2.057 -36.700 359 HG LEU 550 HG LEU 550 -18.621 0.246 -35.799 360 HD11 LEU 550 HD11 LEU 550 -18.942 -1.791 -37.160 361 HD12 LEU 550 HD12 LEU 550 -18.496 -0.877 -38.625 362 HD13 LEU 550 HD13 LEU 550 -19.962 -0.468 -37.694 363 HD21 LEU 550 HD21 LEU 550 -16.762 -1.460 -36.229 364 HD22 LEU 550 HD22 LEU 550 -16.239 0.142 -35.689 365 HD23 LEU 550 HD23 LEU 550 -16.095 -0.311 -37.404 366 H ARG 551 H ARG 551 -19.973 4.250 -39.110 367 HA ARG 551 HA ARG 551 -17.728 6.053 -38.953 368 HB2 ARG 551 HB2 ARG 551 -20.480 6.331 -40.257 369 HB3 ARG 551 HB3 ARG 551 -19.151 7.492 -40.469 370 HG2 ARG 551 HG2 ARG 551 -17.683 5.699 -41.327 371 HG3 ARG 551 HG3 ARG 551 -18.990 4.517 -41.154 372 HD2 ARG 551 HD2 ARG 551 -20.331 5.728 -42.818 373 HD3 ARG 551 HD3 ARG 551 -19.040 6.942 -42.984 374 HE ARG 551 HE ARG 551 -17.855 4.407 -43.381 375 HH11 ARG 551 HH21 ARG 551 -20.193 6.414 -45.132 376 HH12 ARG 551 HH22 ARG 551 -19.724 5.747 -46.668 377 HH21 ARG 551 HH11 ARG 551 -17.302 3.631 -45.303 378 HH22 ARG 551 HH12 ARG 551 -18.086 4.164 -46.778 379 H HIS 552 H HIS 552 -20.297 5.661 -36.800 380 HA HIS 552 HA HIS 552 -20.518 8.527 -36.058 381 HB2 HIS 552 HB2 HIS 552 -22.246 7.762 -34.502 382 HB3 HIS 552 HB3 HIS 552 -22.554 7.123 -36.112 383 HD2 HIS 552 HD2 HIS 552 -21.997 6.032 -32.549 384 HE1 HIS 552 HE1 HIS 552 -21.574 2.459 -34.806 385 HE2 HIS 552 HE2 HIS 552 -21.770 3.426 -32.444 386 H HIS 553 H HIS 553 -18.265 6.147 -35.477 387 HA HIS 553 HA HIS 553 -17.927 6.433 -32.583 388 HB2 HIS 553 HB2 HIS 553 -16.095 5.300 -34.730 389 HB3 HIS 553 HB3 HIS 553 -15.795 5.182 -33.007 390 HD2 HIS 553 HD2 HIS 553 -19.413 4.451 -33.971 391 HE1 HIS 553 HE1 HIS 553 -17.519 0.667 -33.579 392 HE2 HIS 553 HE2 HIS 553 -19.758 1.850 -33.864 393 H SER 554 H SER 554 -15.852 7.249 -31.610 394 HA SER 554 HA SER 554 -14.433 9.340 -33.161 395 HB2 SER 554 HB2 SER 554 -16.437 10.468 -32.178 396 HB3 SER 554 HB3 SER 554 -15.891 9.978 -30.562 397 HG SER 554 HG SER 554 -15.233 12.137 -31.147 398 HA PRO 555 HA PRO 555 -11.253 7.578 -30.621 399 HB2 PRO 555 HB2 PRO 555 -9.104 9.046 -31.479 400 HB3 PRO 555 HB3 PRO 555 -9.945 7.877 -32.526 401 HG2 PRO 555 HG2 PRO 555 -10.269 10.885 -32.449 402 HG3 PRO 555 HG3 PRO 555 -10.121 9.813 -33.875 403 HD2 PRO 555 HD2 PRO 555 -12.533 10.733 -32.888 404 HD3 PRO 555 HD3 PRO 555 -12.347 9.170 -33.746 405 H LEU 556 H LEU 556 -11.130 7.879 -28.471 406 HA LEU 556 HA LEU 556 -10.869 10.599 -27.348 407 HB2 LEU 556 HB2 LEU 556 -11.196 7.824 -26.172 408 HB3 LEU 556 HB3 LEU 556 -10.947 9.236 -25.150 409 HG LEU 556 HG LEU 556 -13.099 9.385 -27.271 410 HD11 LEU 556 HD11 LEU 556 -14.719 8.354 -25.736 411 HD12 LEU 556 HD12 LEU 556 -13.386 7.873 -24.658 412 HD13 LEU 556 HD13 LEU 556 -13.468 7.228 -26.323 413 HD21 LEU 556 HD21 LEU 556 -12.370 11.328 -25.811 414 HD22 LEU 556 HD22 LEU 556 -12.952 10.423 -24.404 415 HD23 LEU 556 HD23 LEU 556 -14.101 10.916 -25.671 416 H MET 557 H MET 557 -9.218 11.128 -25.790 417 HA MET 557 HA MET 557 -6.579 9.882 -26.451 418 HB2 MET 557 HB2 MET 557 -5.598 11.900 -25.446 419 HB3 MET 557 HB3 MET 557 -6.720 12.309 -26.737 420 HG2 MET 557 HG2 MET 557 -8.454 12.897 -25.035 421 HG3 MET 557 HG3 MET 557 -7.330 12.457 -23.755 422 HE1 MET 557 HE1 MET 557 -8.388 15.041 -26.434 423 HE2 MET 557 HE2 MET 557 -7.048 16.204 -26.450 424 HE3 MET 557 HE3 MET 557 -6.818 14.587 -27.136 425 H ARG 558 H ARG 558 -5.116 9.275 -24.764 426 HA ARG 558 HA ARG 558 -6.375 8.007 -22.479 427 HB2 ARG 558 HB2 ARG 558 -3.455 8.445 -23.267 428 HB3 ARG 558 HB3 ARG 558 -3.954 7.566 -21.812 429 HG2 ARG 558 HG2 ARG 558 -5.316 6.017 -23.200 430 HG3 ARG 558 HG3 ARG 558 -4.750 6.816 -24.666 431 HD2 ARG 558 HD2 ARG 558 -2.939 5.433 -22.642 432 HD3 ARG 558 HD3 ARG 558 -3.594 4.667 -24.097 433 HE ARG 558 HE ARG 558 -2.284 7.064 -24.874 434 HH11 ARG 558 HH21 ARG 558 -1.434 3.854 -23.661 435 HH12 ARG 558 HH22 ARG 558 0.100 3.837 -24.474 436 HH21 ARG 558 HH11 ARG 558 -0.257 7.027 -25.846 437 HH22 ARG 558 HH12 ARG 558 0.760 5.628 -25.692 438 H ASN 559 H ASN 559 -6.216 8.518 -20.281 439 HA ASN 559 HA ASN 559 -6.459 11.291 -19.675 440 HB2 ASN 559 HB2 ASN 559 -7.580 9.439 -18.430 441 HB3 ASN 559 HB3 ASN 559 -6.019 8.938 -17.774 442 HD21 ASN 559 HD21 ASN 559 -8.330 11.716 -17.887 443 HD22 ASN 559 HD22 ASN 559 -7.846 12.357 -16.329 444 H GLN 560 H GLN 560 -5.162 12.738 -18.519 445 HA GLN 560 HA GLN 560 -2.514 11.915 -17.544 446 HB2 GLN 560 HB2 GLN 560 -2.120 12.405 -19.969 447 HB3 GLN 560 HB3 GLN 560 -2.777 14.028 -19.740 448 HG2 GLN 560 HG2 GLN 560 -0.932 14.563 -18.165 449 HG3 GLN 560 HG3 GLN 560 -0.306 12.917 -18.327 450 HE21 GLN 560 HE21 GLN 560 0.475 12.262 -20.579 451 HE22 GLN 560 HE22 GLN 560 1.105 13.544 -21.602 452 H LYS 561 H LYS 561 -1.908 13.134 -15.806 453 HA LYS 561 HA LYS 561 -3.206 15.778 -15.329 454 HB2 LYS 561 HB2 LYS 561 -3.968 15.087 -13.085 455 HB3 LYS 561 HB3 LYS 561 -4.732 14.143 -14.355 456 HG2 LYS 561 HG2 LYS 561 -3.151 12.246 -13.893 457 HG3 LYS 561 HG3 LYS 561 -2.404 13.205 -12.610 458 HD2 LYS 561 HD2 LYS 561 -3.925 11.650 -11.608 459 HD3 LYS 561 HD3 LYS 561 -4.597 13.276 -11.415 460 HE2 LYS 561 HE2 LYS 561 -6.121 12.880 -13.337 461 HE3 LYS 561 HE3 LYS 561 -5.403 11.286 -13.595 462 HZ1 LYS 561 HZ1 LYS 561 -6.222 10.636 -11.398 463 HZ2 LYS 561 HZ2 LYS 561 -7.463 11.135 -12.335 464 HZ3 LYS 561 HZ3 LYS 561 -6.887 12.112 -11.159 465 H ASN 562 H ASN 562 -0.389 14.370 -15.706 466 HA ASN 562 HA ASN 562 1.017 16.107 -13.809 467 HB2 ASN 562 HB2 ASN 562 0.536 13.967 -12.502 468 HB3 ASN 562 HB3 ASN 562 1.490 13.092 -13.692 469 HD21 ASN 562 HD21 ASN 562 3.020 12.423 -12.057 470 HD22 ASN 562 HD22 ASN 562 4.141 13.575 -11.352 471 H ARG 563 H ARG 563 3.364 16.180 -14.239 472 HA ARG 563 HA ARG 563 4.354 14.858 -16.684 473 HB2 ARG 563 HB2 ARG 563 3.099 16.985 -17.404 474 HB3 ARG 563 HB3 ARG 563 4.330 17.904 -16.538 475 HG2 ARG 563 HG2 ARG 563 6.079 16.825 -18.044 476 HG3 ARG 563 HG3 ARG 563 4.765 15.993 -18.883 477 HD2 ARG 563 HD2 ARG 563 5.345 17.906 -20.191 478 HD3 ARG 563 HD3 ARG 563 3.781 18.250 -19.432 479 HE ARG 563 HE ARG 563 6.075 19.188 -17.884 480 HH11 ARG 563 HH11 ARG 563 3.968 20.134 -20.565 481 HH12 ARG 563 HH12 ARG 563 4.283 21.828 -20.334 482 HH21 ARG 563 HH21 ARG 563 6.425 21.385 -17.631 483 HH22 ARG 563 HH22 ARG 563 5.661 22.522 -18.699 484 H ASP 564 H ASP 564 6.597 14.760 -16.768 485 HA ASP 564 HA ASP 564 8.019 15.126 -14.280 486 HB2 ASP 564 HB2 ASP 564 9.001 14.513 -17.104 487 HB3 ASP 564 HB3 ASP 564 10.014 14.466 -15.663 488 H SER 565 H SER 565 9.828 16.498 -13.844 489 HA SER 565 HA SER 565 9.564 19.200 -14.996 490 HB2 SER 565 HB2 SER 565 11.328 19.749 -13.259 491 HB3 SER 565 HB3 SER 565 9.825 19.081 -12.621 492 HG SER 565 HG SER 565 12.299 17.684 -12.977 493 H SER 566 H SER 566 11.369 20.414 -15.867 494 HA SER 566 HA SER 566 12.896 18.982 -17.831 495 HB2 SER 566 HB2 SER 566 13.308 21.808 -16.748 496 HB3 SER 566 HB3 SER 566 13.972 21.161 -18.258 497 HG SER 566 HG SER 566 12.042 22.381 -18.605 Start of MODEL 10 1 H1 GLY 502 H1 GLY 502 -18.669 1.718 -10.051 2 H2 GLY 502 H2 GLY 502 -18.675 3.306 -10.280 3 H3 GLY 502 H3 GLY 502 -19.921 2.595 -9.535 4 HA2 GLY 502 HA2 GLY 502 -18.656 3.849 -7.915 5 HA3 GLY 502 HA3 GLY 502 -18.569 2.110 -7.568 6 HA PRO 503 HA PRO 503 -14.235 3.899 -7.869 7 HB2 PRO 503 HB2 PRO 503 -13.383 3.393 -5.310 8 HB3 PRO 503 HB3 PRO 503 -14.374 4.820 -5.729 9 HG2 PRO 503 HG2 PRO 503 -15.322 2.168 -4.593 10 HG3 PRO 503 HG3 PRO 503 -15.709 3.819 -4.013 11 HD2 PRO 503 HD2 PRO 503 -17.373 2.423 -5.674 12 HD3 PRO 503 HD3 PRO 503 -17.192 4.202 -5.804 13 H VAL 504 H VAL 504 -12.148 2.726 -7.699 14 HA VAL 504 HA VAL 504 -12.161 -0.140 -7.088 15 HB VAL 504 HB VAL 504 -13.226 -0.034 -9.375 16 HG11 VAL 504 HG11 VAL 504 -11.994 1.910 -10.320 17 HG12 VAL 504 HG12 VAL 504 -10.525 0.911 -10.412 18 HG13 VAL 504 HG13 VAL 504 -11.955 0.481 -11.362 19 HG21 VAL 504 HG21 VAL 504 -11.993 -1.838 -10.351 20 HG22 VAL 504 HG22 VAL 504 -10.539 -1.441 -9.424 21 HG23 VAL 504 HG23 VAL 504 -11.993 -2.037 -8.592 22 H GLN 505 H GLN 505 -10.039 -1.060 -7.103 23 HA GLN 505 HA GLN 505 -7.749 0.635 -7.839 24 HB2 GLN 505 HB2 GLN 505 -6.746 0.570 -5.579 25 HB3 GLN 505 HB3 GLN 505 -8.236 1.503 -5.607 26 HG2 GLN 505 HG2 GLN 505 -9.470 -0.412 -4.594 27 HG3 GLN 505 HG3 GLN 505 -7.976 -1.352 -4.553 28 HE21 GLN 505 HE21 GLN 505 -6.116 -0.381 -3.209 29 HE22 GLN 505 HE22 GLN 505 -6.590 0.541 -1.791 30 H ILE 506 H ILE 506 -5.729 -0.512 -7.819 31 HA ILE 506 HA ILE 506 -4.329 -2.362 -8.050 32 HB ILE 506 HB ILE 506 -6.481 -4.094 -6.684 33 HG12 ILE 506 HG12 ILE 506 -4.093 -2.653 -5.422 34 HG13 ILE 506 HG13 ILE 506 -5.758 -2.117 -5.241 35 HG21 ILE 506 HG21 ILE 506 -4.755 -5.327 -7.954 36 HG22 ILE 506 HG22 ILE 506 -3.489 -4.477 -7.044 37 HG23 ILE 506 HG23 ILE 506 -4.613 -5.587 -6.229 38 HD11 ILE 506 HD11 ILE 506 -4.602 -4.705 -4.167 39 HD12 ILE 506 HD12 ILE 506 -5.187 -3.302 -3.265 40 HD13 ILE 506 HD13 ILE 506 -6.339 -4.303 -4.169 41 H ASP 507 H ASP 507 -7.735 -3.458 -8.578 42 HA ASP 507 HA ASP 507 -6.986 -4.994 -10.959 43 HB2 ASP 507 HB2 ASP 507 -8.814 -5.693 -9.422 44 HB3 ASP 507 HB3 ASP 507 -9.714 -4.236 -9.827 45 HA PRO 508 HA PRO 508 -7.339 -1.378 -13.578 46 HB2 PRO 508 HB2 PRO 508 -6.776 -2.534 -15.990 47 HB3 PRO 508 HB3 PRO 508 -5.544 -2.333 -14.711 48 HG2 PRO 508 HG2 PRO 508 -7.169 -4.816 -15.351 49 HG3 PRO 508 HG3 PRO 508 -5.401 -4.689 -15.092 50 HD2 PRO 508 HD2 PRO 508 -7.135 -5.442 -13.114 51 HD3 PRO 508 HD3 PRO 508 -5.660 -4.488 -12.766 52 H TYR 509 H TYR 509 -8.950 -0.378 -14.744 53 HA TYR 509 HA TYR 509 -11.460 -1.875 -15.114 54 HB2 TYR 509 HB2 TYR 509 -12.453 0.307 -15.516 55 HB3 TYR 509 HB3 TYR 509 -11.465 0.357 -14.073 56 HD1 TYR 509 HD1 TYR 509 -9.344 1.648 -14.016 57 HD2 TYR 509 HD2 TYR 509 -11.865 1.602 -17.516 58 HE1 TYR 509 HE1 TYR 509 -8.104 3.601 -14.934 59 HE2 TYR 509 HE2 TYR 509 -10.635 3.557 -18.433 60 HH TYR 509 HH TYR 509 -8.936 5.074 -18.102 61 H LEU 510 H LEU 510 -8.745 -1.445 -17.016 62 HA LEU 510 HA LEU 510 -10.109 -2.259 -19.455 63 HB2 LEU 510 HB2 LEU 510 -9.796 0.566 -19.031 64 HB3 LEU 510 HB3 LEU 510 -8.605 0.130 -20.235 65 HG LEU 510 HG LEU 510 -11.550 -0.627 -20.425 66 HD11 LEU 510 HD11 LEU 510 -10.082 1.691 -21.753 67 HD12 LEU 510 HD12 LEU 510 -11.258 1.829 -20.425 68 HD13 LEU 510 HD13 LEU 510 -11.780 1.225 -22.001 69 HD21 LEU 510 HD21 LEU 510 -9.318 -0.643 -22.513 70 HD22 LEU 510 HD22 LEU 510 -11.029 -0.993 -22.829 71 HD23 LEU 510 HD23 LEU 510 -10.088 -2.074 -21.796 72 H GLU 511 H GLU 511 -7.099 -0.718 -18.183 73 HA GLU 511 HA GLU 511 -4.879 -1.386 -18.263 74 HB2 GLU 511 HB2 GLU 511 -5.861 -3.720 -17.846 75 HB3 GLU 511 HB3 GLU 511 -5.742 -4.017 -19.578 76 HG2 GLU 511 HG2 GLU 511 -3.919 -4.995 -18.247 77 HG3 GLU 511 HG3 GLU 511 -3.398 -3.984 -19.576 78 H ASP 512 H ASP 512 -3.072 -1.813 -19.849 79 HA ASP 512 HA ASP 512 -3.379 -0.223 -22.199 80 HB2 ASP 512 HB2 ASP 512 -1.228 -0.596 -21.050 81 HB3 ASP 512 HB3 ASP 512 -1.262 -2.302 -21.483 82 H SER 513 H SER 513 -4.322 -0.669 -24.101 83 HA SER 513 HA SER 513 -4.939 -3.500 -24.765 84 HB2 SER 513 HB2 SER 513 -6.817 -1.904 -24.660 85 HB3 SER 513 HB3 SER 513 -6.027 -0.881 -25.854 86 HG SER 513 HG SER 513 -7.094 -3.493 -26.253 87 H LEU 514 H LEU 514 -4.133 -4.542 -26.527 88 HA LEU 514 HA LEU 514 -2.072 -3.212 -28.163 89 HB2 LEU 514 HB2 LEU 514 -1.751 -5.535 -27.377 90 HB3 LEU 514 HB3 LEU 514 -3.231 -6.032 -28.190 91 HG LEU 514 HG LEU 514 -2.199 -5.563 -30.390 92 HD11 LEU 514 HD11 LEU 514 -0.586 -3.805 -29.727 93 HD12 LEU 514 HD12 LEU 514 0.224 -5.114 -30.575 94 HD13 LEU 514 HD13 LEU 514 0.351 -4.997 -28.805 95 HD21 LEU 514 HD21 LEU 514 -0.548 -7.393 -28.599 96 HD22 LEU 514 HD22 LEU 514 -0.633 -7.465 -30.371 97 HD23 LEU 514 HD23 LEU 514 -2.075 -7.814 -29.406 98 H CYS 515 H CYS 515 -2.267 -2.660 -30.334 99 HA CYS 515 HA CYS 515 -4.827 -1.963 -31.348 100 HB2 CYS 515 HB2 CYS 515 -2.674 -0.950 -32.081 101 HB3 CYS 515 HB3 CYS 515 -2.257 -2.463 -32.894 102 H HIS 516 H HIS 516 -6.418 -3.150 -32.183 103 HA HIS 516 HA HIS 516 -6.187 -5.984 -32.381 104 HB2 HIS 516 HB2 HIS 516 -8.243 -4.588 -31.843 105 HB3 HIS 516 HB3 HIS 516 -8.388 -4.243 -33.563 106 HD2 HIS 516 HD2 HIS 516 -9.605 -6.045 -35.036 107 HE1 HIS 516 HE1 HIS 516 -10.031 -9.105 -32.108 108 HE2 HIS 516 HE2 HIS 516 -10.668 -8.383 -34.468 109 H ILE 517 H ILE 517 -5.724 -3.463 -34.797 110 HA ILE 517 HA ILE 517 -6.270 -5.178 -37.100 111 HB ILE 517 HB ILE 517 -4.959 -2.422 -36.922 112 HG12 ILE 517 HG12 ILE 517 -7.167 -2.182 -36.074 113 HG13 ILE 517 HG13 ILE 517 -7.188 -1.590 -37.722 114 HG21 ILE 517 HG21 ILE 517 -4.354 -3.421 -39.046 115 HG22 ILE 517 HG22 ILE 517 -6.029 -3.938 -39.340 116 HG23 ILE 517 HG23 ILE 517 -5.604 -2.212 -39.331 117 HD11 ILE 517 HD11 ILE 517 -8.334 -4.216 -36.688 118 HD12 ILE 517 HD12 ILE 517 -9.200 -2.837 -37.375 119 HD13 ILE 517 HD13 ILE 517 -8.177 -3.839 -38.418 120 H CYS 518 H CYS 518 -3.244 -3.427 -36.132 121 HA CYS 518 HA CYS 518 -1.682 -5.216 -37.852 122 HB2 CYS 518 HB2 CYS 518 0.194 -3.754 -37.247 123 HB3 CYS 518 HB3 CYS 518 -1.198 -2.854 -37.840 124 H SER 519 H SER 519 -2.314 -4.852 -34.388 125 HA SER 519 HA SER 519 -1.652 -6.080 -32.538 126 HB2 SER 519 HB2 SER 519 -0.802 -8.218 -34.561 127 HB3 SER 519 HB3 SER 519 -1.137 -8.443 -32.848 128 HG SER 519 HG SER 519 -2.927 -9.027 -34.188 129 H SER 520 H SER 520 0.417 -4.413 -34.178 130 HA SER 520 HA SER 520 2.951 -5.747 -33.405 131 HB2 SER 520 HB2 SER 520 2.440 -3.152 -34.925 132 HB3 SER 520 HB3 SER 520 4.010 -3.939 -34.709 133 HG SER 520 HG SER 520 3.125 -4.480 -36.736 134 H GLN 521 H GLN 521 0.844 -3.180 -32.271 135 HA GLN 521 HA GLN 521 2.474 -2.585 -29.952 136 HB2 GLN 521 HB2 GLN 521 3.017 -0.215 -30.556 137 HB3 GLN 521 HB3 GLN 521 3.859 -1.355 -31.581 138 HG2 GLN 521 HG2 GLN 521 2.166 -0.956 -33.387 139 HG3 GLN 521 HG3 GLN 521 1.331 0.187 -32.335 140 HE21 GLN 521 HE21 GLN 521 1.861 1.413 -34.530 141 HE22 GLN 521 HE22 GLN 521 3.341 2.357 -34.461 142 HA PRO 522 HA PRO 522 -1.489 -0.905 -28.717 143 HB2 PRO 522 HB2 PRO 522 -0.790 0.759 -26.656 144 HB3 PRO 522 HB3 PRO 522 -0.652 -1.022 -26.549 145 HG2 PRO 522 HG2 PRO 522 1.538 0.973 -27.198 146 HG3 PRO 522 HG3 PRO 522 1.581 -0.375 -26.018 147 HD2 PRO 522 HD2 PRO 522 2.605 -0.603 -28.529 148 HD3 PRO 522 HD3 PRO 522 1.810 -1.982 -27.718 149 H GLY 523 H GLY 523 -2.818 0.853 -29.192 150 HA2 GLY 523 HA2 GLY 523 -1.530 2.987 -30.805 151 HA3 GLY 523 HA3 GLY 523 -3.247 2.565 -30.786 152 HA PRO 524 HA PRO 524 -2.322 6.177 -27.819 153 HB2 PRO 524 HB2 PRO 524 -2.419 8.411 -29.394 154 HB3 PRO 524 HB3 PRO 524 -0.929 7.443 -29.195 155 HG2 PRO 524 HG2 PRO 524 -2.928 7.337 -31.467 156 HG3 PRO 524 HG3 PRO 524 -1.142 7.420 -31.569 157 HD2 PRO 524 HD2 PRO 524 -2.560 5.064 -31.747 158 HD3 PRO 524 HD3 PRO 524 -0.913 5.150 -31.048 159 H PHE 525 H PHE 525 -4.575 5.728 -30.533 160 HA PHE 525 HA PHE 525 -6.665 7.391 -29.255 161 HB2 PHE 525 HB2 PHE 525 -6.741 5.739 -31.813 162 HB3 PHE 525 HB3 PHE 525 -7.967 6.875 -31.273 163 HD1 PHE 525 HD1 PHE 525 -7.220 9.367 -30.924 164 HD2 PHE 525 HD2 PHE 525 -5.001 6.486 -33.240 165 HE1 PHE 525 HE1 PHE 525 -6.034 11.212 -32.086 166 HE2 PHE 525 HE2 PHE 525 -3.792 8.331 -34.369 167 HZ PHE 525 HZ PHE 525 -4.313 10.698 -33.808 168 H PHE 526 H PHE 526 -8.512 6.611 -28.299 169 HA PHE 526 HA PHE 526 -8.820 3.632 -28.128 170 HB2 PHE 526 HB2 PHE 526 -8.104 4.304 -25.947 171 HB3 PHE 526 HB3 PHE 526 -9.081 5.760 -25.982 172 HD1 PHE 526 HD2 PHE 526 -9.460 1.985 -25.914 173 HD2 PHE 526 HD1 PHE 526 -11.245 5.817 -25.081 174 HE1 PHE 526 HE2 PHE 526 -11.356 0.856 -24.815 175 HE2 PHE 526 HE1 PHE 526 -13.196 4.664 -24.045 176 HZ PHE 526 HZ PHE 526 -13.228 2.192 -23.880 177 H CYS 527 H CYS 527 -10.783 2.839 -28.652 178 HA CYS 527 HA CYS 527 -12.966 4.812 -29.226 179 HB2 CYS 527 HB2 CYS 527 -12.144 3.329 -31.098 180 HB3 CYS 527 HB3 CYS 527 -12.690 1.932 -30.163 181 H ARG 528 H ARG 528 -14.632 4.908 -27.837 182 HA ARG 528 HA ARG 528 -14.759 3.011 -25.612 183 HB2 ARG 528 HB2 ARG 528 -16.378 4.550 -24.678 184 HB3 ARG 528 HB3 ARG 528 -15.052 5.471 -25.386 185 HG2 ARG 528 HG2 ARG 528 -16.561 5.645 -27.513 186 HG3 ARG 528 HG3 ARG 528 -17.878 5.126 -26.456 187 HD2 ARG 528 HD2 ARG 528 -16.107 7.569 -26.109 188 HD3 ARG 528 HD3 ARG 528 -17.762 7.564 -26.734 189 HE ARG 528 HE ARG 528 -17.653 6.338 -24.124 190 HH11 ARG 528 HH22 ARG 528 -17.750 9.532 -25.646 191 HH12 ARG 528 HH21 ARG 528 -18.418 10.282 -24.227 192 HH21 ARG 528 HH11 ARG 528 -18.498 7.373 -22.329 193 HH22 ARG 528 HH12 ARG 528 -18.834 9.076 -22.381 194 H ASP 529 H ASP 529 -16.260 3.117 -28.713 195 HA ASP 529 HA ASP 529 -18.906 2.274 -28.131 196 HB2 ASP 529 HB2 ASP 529 -17.894 3.069 -30.379 197 HB3 ASP 529 HB3 ASP 529 -17.337 1.393 -30.582 198 H GLN 530 H GLN 530 -19.923 0.246 -28.051 199 HA GLN 530 HA GLN 530 -18.493 -1.864 -26.755 200 HB2 GLN 530 HB2 GLN 530 -20.566 -3.139 -26.983 201 HB3 GLN 530 HB3 GLN 530 -20.902 -1.493 -26.463 202 HG2 GLN 530 HG2 GLN 530 -21.615 -0.908 -28.788 203 HG3 GLN 530 HG3 GLN 530 -21.268 -2.562 -29.305 204 HE21 GLN 530 HE21 GLN 530 -23.353 -0.667 -27.019 205 HE22 GLN 530 HE22 GLN 530 -24.639 -1.862 -27.031 206 H VAL 531 H VAL 531 -18.995 -1.119 -30.168 207 HA VAL 531 HA VAL 531 -18.508 -3.776 -31.242 208 HB VAL 531 HB VAL 531 -18.240 -0.959 -32.321 209 HG11 VAL 531 HG11 VAL 531 -17.993 -1.883 -34.595 210 HG12 VAL 531 HG12 VAL 531 -16.562 -2.081 -33.576 211 HG13 VAL 531 HG13 VAL 531 -17.636 -3.477 -33.890 212 HG21 VAL 531 HG21 VAL 531 -20.556 -1.842 -32.087 213 HG22 VAL 531 HG22 VAL 531 -20.106 -1.578 -33.789 214 HG23 VAL 531 HG23 VAL 531 -20.118 -3.222 -33.118 215 H CYS 532 H CYS 532 -16.407 -1.104 -30.181 216 HA CYS 532 HA CYS 532 -13.994 -2.623 -31.078 217 HB2 CYS 532 HB2 CYS 532 -14.401 0.318 -30.403 218 HB3 CYS 532 HB3 CYS 532 -12.852 -0.404 -30.868 219 H PHE 533 H PHE 533 -14.237 -0.069 -28.575 220 HA PHE 533 HA PHE 533 -13.505 0.024 -26.393 221 HB2 PHE 533 HB2 PHE 533 -15.281 -1.902 -26.299 222 HB3 PHE 533 HB3 PHE 533 -13.904 -2.974 -26.091 223 HD1 PHE 533 HD2 PHE 533 -15.076 0.408 -24.787 224 HD2 PHE 533 HD1 PHE 533 -13.420 -3.471 -23.830 225 HE1 PHE 533 HE2 PHE 533 -15.090 0.983 -22.378 226 HE2 PHE 533 HE1 PHE 533 -13.430 -2.874 -21.422 227 HZ PHE 533 HZ PHE 533 -14.264 -0.647 -20.692 228 H LYS 534 H LYS 534 -11.546 -0.301 -28.464 229 HA LYS 534 HA LYS 534 -9.308 -1.474 -26.880 230 HB2 LYS 534 HB2 LYS 534 -9.912 -2.118 -29.803 231 HB3 LYS 534 HB3 LYS 534 -8.397 -2.527 -28.996 232 HG2 LYS 534 HG2 LYS 534 -9.544 -4.017 -27.438 233 HG3 LYS 534 HG3 LYS 534 -11.108 -3.557 -28.105 234 HD2 LYS 534 HD2 LYS 534 -10.288 -4.435 -30.374 235 HD3 LYS 534 HD3 LYS 534 -8.908 -5.108 -29.490 236 HE2 LYS 534 HE2 LYS 534 -10.505 -6.873 -29.651 237 HE3 LYS 534 HE3 LYS 534 -10.566 -6.302 -27.979 238 HZ1 LYS 534 HZ1 LYS 534 -12.503 -5.653 -30.136 239 HZ2 LYS 534 HZ2 LYS 534 -12.551 -4.949 -28.663 240 HZ3 LYS 534 HZ3 LYS 534 -12.795 -6.564 -28.814 241 H TYR 535 H TYR 535 -7.137 -0.907 -28.025 242 HA TYR 535 HA TYR 535 -7.218 1.963 -28.780 243 HB2 TYR 535 HB2 TYR 535 -4.899 0.090 -28.225 244 HB3 TYR 535 HB3 TYR 535 -4.750 1.788 -28.621 245 HD1 TYR 535 HD2 TYR 535 -7.472 1.990 -26.548 246 HD2 TYR 535 HD1 TYR 535 -3.293 1.012 -26.396 247 HE1 TYR 535 HE2 TYR 535 -7.482 2.394 -24.103 248 HE2 TYR 535 HE1 TYR 535 -3.280 1.422 -23.952 249 HH TYR 535 HH TYR 535 -6.231 2.413 -22.161 250 H PHE 536 H PHE 536 -6.039 2.765 -30.656 251 HA PHE 536 HA PHE 536 -5.317 0.793 -32.747 252 HB2 PHE 536 HB2 PHE 536 -7.377 2.969 -33.222 253 HB3 PHE 536 HB3 PHE 536 -6.735 1.892 -34.440 254 HD1 PHE 536 HD2 PHE 536 -7.348 -0.538 -34.437 255 HD2 PHE 536 HD1 PHE 536 -9.186 2.296 -31.759 256 HE1 PHE 536 HE2 PHE 536 -9.210 -2.130 -34.023 257 HE2 PHE 536 HE1 PHE 536 -11.031 0.710 -31.344 258 HZ PHE 536 HZ PHE 536 -11.055 -1.515 -32.473 259 H CYS 537 H CYS 537 -3.879 1.594 -34.291 260 HA CYS 537 HA CYS 537 -2.458 4.083 -33.691 261 HB2 CYS 537 HB2 CYS 537 -2.210 2.503 -36.268 262 HB3 CYS 537 HB3 CYS 537 -0.998 3.470 -35.443 263 H ARG 538 H ARG 538 -2.103 5.727 -35.531 264 HA ARG 538 HA ARG 538 -4.551 7.002 -36.167 265 HB2 ARG 538 HB2 ARG 538 -2.241 8.038 -36.108 266 HB3 ARG 538 HB3 ARG 538 -1.910 7.314 -37.683 267 HG2 ARG 538 HG2 ARG 538 -3.790 8.599 -38.675 268 HG3 ARG 538 HG3 ARG 538 -4.184 9.264 -37.076 269 HD2 ARG 538 HD2 ARG 538 -1.955 10.339 -36.975 270 HD3 ARG 538 HD3 ARG 538 -1.560 9.671 -38.573 271 HE ARG 538 HE ARG 538 -3.992 11.109 -38.798 272 HH11 ARG 538 HH21 ARG 538 -0.579 11.853 -38.226 273 HH12 ARG 538 HH22 ARG 538 -0.717 13.444 -38.915 274 HH21 ARG 538 HH11 ARG 538 -4.099 13.171 -39.674 275 HH22 ARG 538 HH12 ARG 538 -2.682 14.176 -39.722 276 H SER 539 H SER 539 -2.457 4.980 -38.303 277 HA SER 539 HA SER 539 -4.224 5.199 -40.598 278 HB2 SER 539 HB2 SER 539 -2.779 3.263 -41.444 279 HB3 SER 539 HB3 SER 539 -1.925 4.759 -41.028 280 HG SER 539 HG SER 539 -0.877 2.883 -40.167 281 H CYS 540 H CYS 540 -3.707 2.731 -38.042 282 HA CYS 540 HA CYS 540 -5.455 0.748 -39.131 283 HB2 CYS 540 HB2 CYS 540 -4.657 1.307 -36.253 284 HB3 CYS 540 HB3 CYS 540 -5.421 -0.174 -36.807 285 H TRP 541 H TRP 541 -6.026 3.490 -36.906 286 HA TRP 541 HA TRP 541 -8.730 2.859 -36.217 287 HB2 TRP 541 HB2 TRP 541 -7.419 4.517 -34.974 288 HB3 TRP 541 HB3 TRP 541 -7.222 5.509 -36.405 289 HD1 TRP 541 HD1 TRP 541 -9.458 6.720 -37.357 290 HE1 TRP 541 HE1 TRP 541 -11.611 7.527 -36.204 291 HE3 TRP 541 HE3 TRP 541 -8.764 4.574 -32.776 292 HZ2 TRP 541 HZ2 TRP 541 -12.993 7.018 -33.703 293 HZ3 TRP 541 HZ3 TRP 541 -10.438 4.853 -30.996 294 HH2 TRP 541 HH2 TRP 541 -12.592 6.014 -31.452 295 H HIS 542 H HIS 542 -7.325 4.927 -38.809 296 HA HIS 542 HA HIS 542 -9.758 5.794 -39.968 297 HB2 HIS 542 HB2 HIS 542 -7.561 6.741 -40.532 298 HB3 HIS 542 HB3 HIS 542 -7.057 5.223 -41.272 299 HD2 HIS 542 HD2 HIS 542 -7.602 4.888 -43.792 300 HE1 HIS 542 HE1 HIS 542 -10.301 8.130 -44.361 301 HE2 HIS 542 HE2 HIS 542 -9.014 6.266 -45.531 302 H TRP 543 H TRP 543 -7.822 2.812 -40.555 303 HA TRP 543 HA TRP 543 -9.464 1.829 -42.711 304 HB2 TRP 543 HB2 TRP 543 -7.135 1.090 -42.241 305 HB3 TRP 543 HB3 TRP 543 -7.668 0.317 -40.757 306 HD1 TRP 543 HD1 TRP 543 -7.637 -0.096 -44.516 307 HE1 TRP 543 HE1 TRP 543 -8.414 -2.446 -45.183 308 HE3 TRP 543 HE3 TRP 543 -9.226 -1.766 -39.929 309 HZ2 TRP 543 HZ2 TRP 543 -9.634 -4.731 -43.912 310 HZ3 TRP 543 HZ3 TRP 543 -10.253 -4.012 -39.711 311 HH2 TRP 543 HH2 TRP 543 -10.451 -5.506 -41.683 312 H ARG 544 H ARG 544 -9.421 1.165 -39.156 313 HA ARG 544 HA ARG 544 -11.375 -0.912 -39.224 314 HB2 ARG 544 HB2 ARG 544 -9.717 -0.260 -37.384 315 HB3 ARG 544 HB3 ARG 544 -10.881 0.947 -36.839 316 HG2 ARG 544 HG2 ARG 544 -11.606 -1.985 -37.246 317 HG3 ARG 544 HG3 ARG 544 -10.783 -1.468 -35.790 318 HD2 ARG 544 HD2 ARG 544 -12.577 -0.175 -35.012 319 HD3 ARG 544 HD3 ARG 544 -13.412 -0.155 -36.553 320 HE ARG 544 HE ARG 544 -13.506 -2.240 -34.552 321 HH11 ARG 544 HH11 ARG 544 -13.989 -1.665 -38.024 322 HH12 ARG 544 HH12 ARG 544 -14.827 -3.176 -38.234 323 HH21 ARG 544 HH21 ARG 544 -14.669 -4.123 -34.899 324 HH22 ARG 544 HH22 ARG 544 -15.249 -4.515 -36.487 325 H HIS 545 H HIS 545 -11.719 2.616 -38.716 326 HA HIS 545 HA HIS 545 -14.630 2.313 -38.290 327 HB2 HIS 545 HB2 HIS 545 -12.817 4.778 -38.288 328 HB3 HIS 545 HB3 HIS 545 -14.527 4.756 -37.824 329 HD1 HIS 545 HD1 HIS 545 -11.130 3.904 -36.406 330 HD2 HIS 545 HD2 HIS 545 -15.172 3.076 -35.691 331 HE1 HIS 545 HE1 HIS 545 -11.249 2.915 -34.047 332 H SER 546 H SER 546 -12.770 2.375 -41.045 333 HA SER 546 HA SER 546 -14.284 4.176 -42.754 334 HB2 SER 546 HB2 SER 546 -12.002 3.242 -43.295 335 HB3 SER 546 HB3 SER 546 -12.763 1.650 -43.490 336 HG SER 546 HG SER 546 -12.494 2.796 -45.496 337 H MET 547 H MET 547 -14.666 0.844 -41.609 338 HA MET 547 HA MET 547 -16.552 -0.134 -43.466 339 HB2 MET 547 HB2 MET 547 -16.496 -0.710 -40.470 340 HB3 MET 547 HB3 MET 547 -17.169 -1.738 -41.739 341 HG2 MET 547 HG2 MET 547 -14.239 -1.075 -41.254 342 HG3 MET 547 HG3 MET 547 -15.032 -2.621 -41.017 343 HE1 MET 547 HE1 MET 547 -12.849 -3.562 -42.265 344 HE2 MET 547 HE2 MET 547 -12.391 -3.104 -43.917 345 HE3 MET 547 HE3 MET 547 -12.273 -1.915 -42.606 346 H GLU 548 H GLU 548 -18.749 0.006 -43.706 347 HA GLU 548 HA GLU 548 -20.117 2.322 -42.708 348 HB2 GLU 548 HB2 GLU 548 -21.144 -0.223 -44.047 349 HB3 GLU 548 HB3 GLU 548 -22.145 1.191 -43.693 350 HG2 GLU 548 HG2 GLU 548 -20.671 2.607 -45.100 351 HG3 GLU 548 HG3 GLU 548 -19.688 1.194 -45.500 352 H GLY 549 H GLY 549 -21.668 2.581 -41.108 353 HA2 GLY 549 HA2 GLY 549 -23.161 1.819 -39.405 354 HA3 GLY 549 HA3 GLY 549 -22.374 0.229 -39.424 355 H LEU 550 H LEU 550 -19.693 1.933 -39.414 356 HA LEU 550 HA LEU 550 -19.654 2.382 -36.440 357 HB2 LEU 550 HB2 LEU 550 -17.462 1.528 -38.382 358 HB3 LEU 550 HB3 LEU 550 -17.161 2.109 -36.747 359 HG LEU 550 HG LEU 550 -18.492 0.262 -35.806 360 HD11 LEU 550 HD11 LEU 550 -19.834 -0.523 -37.685 361 HD12 LEU 550 HD12 LEU 550 -18.790 -1.798 -37.087 362 HD13 LEU 550 HD13 LEU 550 -18.356 -0.941 -38.593 363 HD21 LEU 550 HD21 LEU 550 -15.974 -0.241 -37.436 364 HD22 LEU 550 HD22 LEU 550 -16.609 -1.391 -36.248 365 HD23 LEU 550 HD23 LEU 550 -16.114 0.218 -35.717 366 H ARG 551 H ARG 551 -20.186 4.197 -39.020 367 HA ARG 551 HA ARG 551 -18.043 6.103 -39.117 368 HB2 ARG 551 HB2 ARG 551 -20.983 6.441 -39.855 369 HB3 ARG 551 HB3 ARG 551 -19.676 7.515 -40.351 370 HG2 ARG 551 HG2 ARG 551 -19.922 4.571 -41.139 371 HG3 ARG 551 HG3 ARG 551 -20.366 5.950 -42.137 372 HD2 ARG 551 HD2 ARG 551 -18.008 6.737 -42.135 373 HD3 ARG 551 HD3 ARG 551 -17.556 5.386 -41.094 374 HE ARG 551 HE ARG 551 -17.443 4.013 -42.896 375 HH11 ARG 551 HH11 ARG 551 -19.431 6.747 -43.984 376 HH12 ARG 551 HH12 ARG 551 -19.386 6.206 -45.635 377 HH21 ARG 551 HH21 ARG 551 -17.364 3.450 -44.960 378 HH22 ARG 551 HH22 ARG 551 -18.244 4.326 -46.196 379 H HIS 552 H HIS 552 -20.472 5.590 -36.729 380 HA HIS 552 HA HIS 552 -20.611 8.395 -35.841 381 HB2 HIS 552 HB2 HIS 552 -22.165 7.534 -34.151 382 HB3 HIS 552 HB3 HIS 552 -22.605 6.944 -35.748 383 HD2 HIS 552 HD2 HIS 552 -21.586 5.745 -32.303 384 HE1 HIS 552 HE1 HIS 552 -21.466 2.248 -34.706 385 HE2 HIS 552 HE2 HIS 552 -21.380 3.141 -32.310 386 H HIS 553 H HIS 553 -18.304 5.987 -35.479 387 HA HIS 553 HA HIS 553 -17.771 6.169 -32.624 388 HB2 HIS 553 HB2 HIS 553 -16.104 5.158 -34.960 389 HB3 HIS 553 HB3 HIS 553 -15.610 5.035 -33.284 390 HD2 HIS 553 HD2 HIS 553 -19.262 4.187 -34.139 391 HE1 HIS 553 HE1 HIS 553 -17.251 0.503 -33.466 392 HE2 HIS 553 HE2 HIS 553 -19.533 1.586 -33.838 393 H SER 554 H SER 554 -16.192 7.327 -31.519 394 HA SER 554 HA SER 554 -14.390 9.144 -33.018 395 HB2 SER 554 HB2 SER 554 -16.382 10.101 -30.916 396 HB3 SER 554 HB3 SER 554 -15.022 11.061 -31.515 397 HG SER 554 HG SER 554 -16.999 11.547 -32.609 398 HA PRO 555 HA PRO 555 -11.813 7.837 -29.641 399 HB2 PRO 555 HB2 PRO 555 -9.563 9.286 -30.136 400 HB3 PRO 555 HB3 PRO 555 -10.138 8.027 -31.264 401 HG2 PRO 555 HG2 PRO 555 -10.523 11.024 -31.466 402 HG3 PRO 555 HG3 PRO 555 -10.042 9.873 -32.748 403 HD2 PRO 555 HD2 PRO 555 -12.646 10.776 -32.340 404 HD3 PRO 555 HD3 PRO 555 -12.232 9.209 -33.102 405 H LEU 556 H LEU 556 -11.622 8.371 -27.505 406 HA LEU 556 HA LEU 556 -12.490 10.980 -26.576 407 HB2 LEU 556 HB2 LEU 556 -11.385 8.481 -25.270 408 HB3 LEU 556 HB3 LEU 556 -11.659 9.934 -24.314 409 HG LEU 556 HG LEU 556 -13.890 8.953 -26.110 410 HD11 LEU 556 HD11 LEU 556 -13.101 7.762 -23.430 411 HD12 LEU 556 HD12 LEU 556 -13.209 6.972 -25.029 412 HD13 LEU 556 HD13 LEU 556 -14.687 7.536 -24.204 413 HD21 LEU 556 HD21 LEU 556 -15.280 10.023 -24.404 414 HD22 LEU 556 HD22 LEU 556 -14.007 11.160 -24.904 415 HD23 LEU 556 HD23 LEU 556 -13.866 10.293 -23.363 416 H MET 557 H MET 557 -11.329 12.606 -25.569 417 HA MET 557 HA MET 557 -8.448 12.758 -26.229 418 HB2 MET 557 HB2 MET 557 -9.855 14.730 -26.613 419 HB3 MET 557 HB3 MET 557 -10.368 14.748 -24.922 420 HG2 MET 557 HG2 MET 557 -8.639 16.438 -25.408 421 HG3 MET 557 HG3 MET 557 -8.124 15.298 -24.178 422 HE1 MET 557 HE1 MET 557 -5.672 16.056 -24.307 423 HE2 MET 557 HE2 MET 557 -4.742 16.221 -25.811 424 HE3 MET 557 HE3 MET 557 -6.129 17.286 -25.508 425 H ARG 558 H ARG 558 -6.920 12.063 -24.871 426 HA ARG 558 HA ARG 558 -7.447 12.137 -21.919 427 HB2 ARG 558 HB2 ARG 558 -6.205 9.888 -23.547 428 HB3 ARG 558 HB3 ARG 558 -6.140 9.961 -21.794 429 HG2 ARG 558 HG2 ARG 558 -8.323 9.364 -21.489 430 HG3 ARG 558 HG3 ARG 558 -8.903 10.162 -22.945 431 HD2 ARG 558 HD2 ARG 558 -7.340 7.559 -22.938 432 HD3 ARG 558 HD3 ARG 558 -9.098 7.696 -23.059 433 HE ARG 558 HE ARG 558 -8.764 9.052 -25.139 434 HH11 ARG 558 HH11 ARG 558 -6.148 6.775 -24.333 435 HH12 ARG 558 HH12 ARG 558 -5.444 6.974 -25.921 436 HH21 ARG 558 HH21 ARG 558 -7.782 9.256 -27.036 437 HH22 ARG 558 HH22 ARG 558 -6.302 8.360 -27.385 438 H ASN 559 H ASN 559 -5.772 12.838 -20.667 439 HA ASN 559 HA ASN 559 -3.012 12.874 -21.621 440 HB2 ASN 559 HB2 ASN 559 -3.986 14.869 -22.820 441 HB3 ASN 559 HB3 ASN 559 -4.476 15.532 -21.265 442 HD21 ASN 559 HD21 ASN 559 -3.147 17.399 -21.308 443 HD22 ASN 559 HD22 ASN 559 -1.395 17.296 -21.318 444 H GLN 560 H GLN 560 -1.528 13.252 -19.945 445 HA GLN 560 HA GLN 560 -2.693 13.211 -17.208 446 HB2 GLN 560 HB2 GLN 560 -1.040 11.473 -17.818 447 HB3 GLN 560 HB3 GLN 560 0.146 12.710 -18.228 448 HG2 GLN 560 HG2 GLN 560 0.607 11.715 -16.028 449 HG3 GLN 560 HG3 GLN 560 0.270 13.429 -15.892 450 HE21 GLN 560 HE21 GLN 560 -1.189 10.179 -15.414 451 HE22 GLN 560 HE22 GLN 560 -2.373 10.743 -14.227 452 H LYS 561 H LYS 561 -2.603 14.922 -15.857 453 HA LYS 561 HA LYS 561 -1.319 17.422 -16.805 454 HB2 LYS 561 HB2 LYS 561 -3.118 16.802 -14.414 455 HB3 LYS 561 HB3 LYS 561 -2.474 18.403 -14.806 456 HG2 LYS 561 HG2 LYS 561 -3.636 18.351 -17.003 457 HG3 LYS 561 HG3 LYS 561 -4.276 16.747 -16.632 458 HD2 LYS 561 HD2 LYS 561 -6.000 18.367 -16.235 459 HD3 LYS 561 HD3 LYS 561 -5.502 17.680 -14.682 460 HE2 LYS 561 HE2 LYS 561 -4.111 19.690 -14.232 461 HE3 LYS 561 HE3 LYS 561 -4.542 20.355 -15.814 462 HZ1 LYS 561 HZ1 LYS 561 -6.460 19.815 -13.611 463 HZ2 LYS 561 HZ2 LYS 561 -6.857 20.437 -15.072 464 HZ3 LYS 561 HZ3 LYS 561 -5.914 21.291 -14.049 465 H ASN 562 H ASN 562 -0.889 14.911 -14.341 466 HA ASN 562 HA ASN 562 1.019 16.415 -12.727 467 HB2 ASN 562 HB2 ASN 562 -0.426 14.510 -11.892 468 HB3 ASN 562 HB3 ASN 562 0.528 13.406 -12.873 469 HD21 ASN 562 HD21 ASN 562 1.665 12.201 -11.347 470 HD22 ASN 562 HD22 ASN 562 2.640 12.920 -10.073 471 H ARG 563 H ARG 563 3.281 15.358 -12.320 472 HA ARG 563 HA ARG 563 4.829 15.509 -14.755 473 HB2 ARG 563 HB2 ARG 563 5.492 14.677 -11.893 474 HB3 ARG 563 HB3 ARG 563 6.676 14.627 -13.191 475 HG2 ARG 563 HG2 ARG 563 7.042 16.642 -12.043 476 HG3 ARG 563 HG3 ARG 563 6.352 17.059 -13.612 477 HD2 ARG 563 HD2 ARG 563 4.179 17.523 -12.566 478 HD3 ARG 563 HD3 ARG 563 4.789 16.943 -10.996 479 HE ARG 563 HE ARG 563 6.464 19.037 -12.005 480 HH11 ARG 563 HH11 ARG 563 3.275 18.638 -10.516 481 HH12 ARG 563 HH12 ARG 563 3.272 20.255 -9.880 482 HH21 ARG 563 HH21 ARG 563 6.396 21.104 -11.146 483 HH22 ARG 563 HH22 ARG 563 5.017 21.628 -10.229 484 H ASP 564 H ASP 564 3.347 12.841 -12.976 485 HA ASP 564 HA ASP 564 4.089 10.958 -15.123 486 HB2 ASP 564 HB2 ASP 564 5.079 9.315 -13.619 487 HB3 ASP 564 HB3 ASP 564 6.003 10.802 -13.549 488 H SER 565 H SER 565 2.977 8.820 -14.830 489 HA SER 565 HA SER 565 0.314 9.214 -13.511 490 HB2 SER 565 HB2 SER 565 1.159 7.265 -15.707 491 HB3 SER 565 HB3 SER 565 -0.463 7.413 -15.017 492 HG SER 565 HG SER 565 0.945 9.222 -16.680 493 H SER 566 H SER 566 -0.499 7.711 -12.058 494 HA SER 566 HA SER 566 1.369 6.190 -10.504 495 HB2 SER 566 HB2 SER 566 -1.674 5.956 -10.623 496 HB3 SER 566 HB3 SER 566 -0.627 5.352 -9.326 497 HG SER 566 HG SER 566 -1.558 7.402 -8.813 Start of MODEL 11 1 H1 GLY 502 H1 GLY 502 -18.615 7.872 -13.269 2 H2 GLY 502 H2 GLY 502 -19.930 8.212 -12.416 3 H3 GLY 502 H3 GLY 502 -20.002 7.117 -13.603 4 HA2 GLY 502 HA2 GLY 502 -20.147 5.988 -11.477 5 HA3 GLY 502 HA3 GLY 502 -18.659 5.533 -12.334 6 HA PRO 503 HA PRO 503 -17.648 7.152 -8.026 7 HB2 PRO 503 HB2 PRO 503 -16.691 4.852 -6.882 8 HB3 PRO 503 HB3 PRO 503 -18.439 5.215 -6.987 9 HG2 PRO 503 HG2 PRO 503 -16.785 3.482 -8.854 10 HG3 PRO 503 HG3 PRO 503 -18.344 3.080 -8.066 11 HD2 PRO 503 HD2 PRO 503 -18.195 4.028 -10.629 12 HD3 PRO 503 HD3 PRO 503 -19.552 4.464 -9.542 13 H VAL 504 H VAL 504 -15.487 7.365 -7.030 14 HA VAL 504 HA VAL 504 -13.358 7.471 -9.049 15 HB VAL 504 HB VAL 504 -11.994 8.393 -7.190 16 HG11 VAL 504 HG11 VAL 504 -14.724 9.727 -7.415 17 HG12 VAL 504 HG12 VAL 504 -13.195 10.496 -6.951 18 HG13 VAL 504 HG13 VAL 504 -13.399 9.863 -8.592 19 HG21 VAL 504 HG21 VAL 504 -12.973 8.952 -5.012 20 HG22 VAL 504 HG22 VAL 504 -14.464 8.086 -5.420 21 HG23 VAL 504 HG23 VAL 504 -12.931 7.202 -5.238 22 H GLN 505 H GLN 505 -11.278 6.452 -8.872 23 HA GLN 505 HA GLN 505 -11.118 4.067 -7.090 24 HB2 GLN 505 HB2 GLN 505 -10.673 4.016 -10.115 25 HB3 GLN 505 HB3 GLN 505 -10.309 2.694 -9.006 26 HG2 GLN 505 HG2 GLN 505 -12.732 2.544 -8.408 27 HG3 GLN 505 HG3 GLN 505 -13.086 3.807 -9.595 28 HE21 GLN 505 HE21 GLN 505 -11.835 0.440 -9.259 29 HE22 GLN 505 HE22 GLN 505 -12.193 0.013 -10.924 30 H ILE 506 H ILE 506 -8.984 3.387 -6.620 31 HA ILE 506 HA ILE 506 -6.926 5.479 -6.933 32 HB ILE 506 HB ILE 506 -5.556 3.987 -5.519 33 HG12 ILE 506 HG12 ILE 506 -7.934 2.073 -5.461 34 HG13 ILE 506 HG13 ILE 506 -6.421 1.783 -6.320 35 HG21 ILE 506 HG21 ILE 506 -6.810 4.332 -3.482 36 HG22 ILE 506 HG22 ILE 506 -7.153 5.666 -4.583 37 HG23 ILE 506 HG23 ILE 506 -8.349 4.369 -4.367 38 HD11 ILE 506 HD11 ILE 506 -5.186 1.908 -4.148 39 HD12 ILE 506 HD12 ILE 506 -6.753 2.033 -3.308 40 HD13 ILE 506 HD13 ILE 506 -6.362 0.582 -4.242 41 H ASP 507 H ASP 507 -7.941 2.774 -8.747 42 HA ASP 507 HA ASP 507 -5.559 2.926 -10.464 43 HB2 ASP 507 HB2 ASP 507 -4.955 1.211 -8.751 44 HB3 ASP 507 HB3 ASP 507 -6.408 0.308 -9.148 45 HA PRO 508 HA PRO 508 -9.047 2.462 -13.209 46 HB2 PRO 508 HB2 PRO 508 -7.756 2.707 -15.616 47 HB3 PRO 508 HB3 PRO 508 -7.938 4.071 -14.476 48 HG2 PRO 508 HG2 PRO 508 -5.541 2.238 -14.813 49 HG3 PRO 508 HG3 PRO 508 -5.564 4.032 -14.765 50 HD2 PRO 508 HD2 PRO 508 -4.999 2.524 -12.566 51 HD3 PRO 508 HD3 PRO 508 -5.915 4.058 -12.435 52 H TYR 509 H TYR 509 -9.987 0.955 -14.689 53 HA TYR 509 HA TYR 509 -8.954 -1.772 -14.430 54 HB2 TYR 509 HB2 TYR 509 -11.028 -2.424 -15.535 55 HB3 TYR 509 HB3 TYR 509 -11.364 -1.277 -14.253 56 HD1 TYR 509 HD1 TYR 509 -11.329 -1.816 -17.913 57 HD2 TYR 509 HD2 TYR 509 -12.169 1.009 -14.762 58 HE1 TYR 509 HE1 TYR 509 -12.476 -0.342 -19.547 59 HE2 TYR 509 HE2 TYR 509 -13.312 2.493 -16.400 60 HH TYR 509 HH TYR 509 -13.584 1.654 -19.879 61 H LEU 510 H LEU 510 -8.353 0.754 -16.596 62 HA LEU 510 HA LEU 510 -8.220 -0.787 -19.070 63 HB2 LEU 510 HB2 LEU 510 -7.210 1.980 -18.293 64 HB3 LEU 510 HB3 LEU 510 -7.076 1.319 -19.918 65 HG LEU 510 HG LEU 510 -9.733 1.751 -18.479 66 HD11 LEU 510 HD11 LEU 510 -8.575 3.888 -18.908 67 HD12 LEU 510 HD12 LEU 510 -9.988 3.707 -19.958 68 HD13 LEU 510 HD13 LEU 510 -8.358 3.441 -20.615 69 HD21 LEU 510 HD21 LEU 510 -9.896 0.018 -20.235 70 HD22 LEU 510 HD22 LEU 510 -9.086 1.094 -21.397 71 HD23 LEU 510 HD23 LEU 510 -10.697 1.498 -20.767 72 H GLU 511 H GLU 511 -6.344 -1.349 -20.240 73 HA GLU 511 HA GLU 511 -3.737 -1.238 -18.804 74 HB2 GLU 511 HB2 GLU 511 -4.940 -3.766 -20.028 75 HB3 GLU 511 HB3 GLU 511 -3.287 -3.611 -19.425 76 HG2 GLU 511 HG2 GLU 511 -4.187 -3.104 -17.148 77 HG3 GLU 511 HG3 GLU 511 -5.819 -3.421 -17.749 78 H ASP 512 H ASP 512 -1.947 -2.099 -20.390 79 HA ASP 512 HA ASP 512 -2.190 -0.526 -22.855 80 HB2 ASP 512 HB2 ASP 512 0.167 -1.190 -23.205 81 HB3 ASP 512 HB3 ASP 512 -0.105 -0.476 -21.631 82 H SER 513 H SER 513 -4.111 -2.024 -23.482 83 HA SER 513 HA SER 513 -3.550 -4.698 -24.415 84 HB2 SER 513 HB2 SER 513 -5.822 -3.705 -23.786 85 HB3 SER 513 HB3 SER 513 -5.803 -2.875 -25.346 86 HG SER 513 HG SER 513 -5.917 -5.656 -24.781 87 H LEU 514 H LEU 514 -2.953 -5.485 -26.390 88 HA LEU 514 HA LEU 514 -1.510 -3.754 -28.169 89 HB2 LEU 514 HB2 LEU 514 -0.952 -6.129 -27.722 90 HB3 LEU 514 HB3 LEU 514 -2.447 -6.636 -28.496 91 HG LEU 514 HG LEU 514 -1.621 -5.847 -30.674 92 HD11 LEU 514 HD11 LEU 514 0.812 -5.207 -30.873 93 HD12 LEU 514 HD12 LEU 514 0.878 -5.056 -29.108 94 HD13 LEU 514 HD13 LEU 514 -0.177 -3.995 -30.074 95 HD21 LEU 514 HD21 LEU 514 0.133 -7.561 -30.954 96 HD22 LEU 514 HD22 LEU 514 -1.181 -8.160 -29.932 97 HD23 LEU 514 HD23 LEU 514 0.351 -7.642 -29.195 98 H CYS 515 H CYS 515 -1.963 -3.001 -30.240 99 HA CYS 515 HA CYS 515 -4.701 -2.530 -31.006 100 HB2 CYS 515 HB2 CYS 515 -2.797 -1.080 -31.671 101 HB3 CYS 515 HB3 CYS 515 -2.133 -2.396 -32.634 102 H HIS 516 H HIS 516 -6.116 -3.811 -32.039 103 HA HIS 516 HA HIS 516 -5.508 -6.549 -32.545 104 HB2 HIS 516 HB2 HIS 516 -7.745 -5.735 -31.917 105 HB3 HIS 516 HB3 HIS 516 -7.883 -4.853 -33.433 106 HD2 HIS 516 HD2 HIS 516 -7.557 -8.543 -32.194 107 HE1 HIS 516 HE1 HIS 516 -9.704 -8.592 -35.870 108 HE2 HIS 516 HE2 HIS 516 -8.857 -10.023 -33.939 109 H ILE 517 H ILE 517 -5.644 -3.742 -34.737 110 HA ILE 517 HA ILE 517 -5.909 -5.266 -37.163 111 HB ILE 517 HB ILE 517 -4.923 -2.415 -36.721 112 HG12 ILE 517 HG12 ILE 517 -7.120 -2.556 -35.811 113 HG13 ILE 517 HG13 ILE 517 -7.242 -1.749 -37.361 114 HG21 ILE 517 HG21 ILE 517 -5.665 -2.026 -39.086 115 HG22 ILE 517 HG22 ILE 517 -4.258 -3.078 -38.944 116 HG23 ILE 517 HG23 ILE 517 -5.857 -3.782 -39.276 117 HD11 ILE 517 HD11 ILE 517 -9.103 -3.247 -37.132 118 HD12 ILE 517 HD12 ILE 517 -8.030 -3.942 -38.363 119 HD13 ILE 517 HD13 ILE 517 -8.059 -4.612 -36.716 120 H CYS 518 H CYS 518 -3.061 -3.382 -35.944 121 HA CYS 518 HA CYS 518 -1.367 -4.694 -37.962 122 HB2 CYS 518 HB2 CYS 518 0.333 -3.097 -37.211 123 HB3 CYS 518 HB3 CYS 518 -1.192 -2.302 -37.616 124 H SER 519 H SER 519 -2.004 -4.995 -34.517 125 HA SER 519 HA SER 519 -1.101 -6.340 -32.858 126 HB2 SER 519 HB2 SER 519 0.027 -7.973 -35.192 127 HB3 SER 519 HB3 SER 519 -0.181 -8.513 -33.528 128 HG SER 519 HG SER 519 -1.913 -9.186 -34.903 129 H SER 520 H SER 520 0.572 -4.075 -34.052 130 HA SER 520 HA SER 520 3.344 -5.052 -33.607 131 HB2 SER 520 HB2 SER 520 2.925 -3.714 -35.598 132 HB3 SER 520 HB3 SER 520 2.219 -2.410 -34.635 133 HG SER 520 HG SER 520 4.545 -2.262 -35.362 134 H GLN 521 H GLN 521 0.978 -2.732 -32.233 135 HA GLN 521 HA GLN 521 2.284 -2.592 -29.654 136 HB2 GLN 521 HB2 GLN 521 3.030 -0.183 -29.829 137 HB3 GLN 521 HB3 GLN 521 3.947 -1.256 -30.852 138 HG2 GLN 521 HG2 GLN 521 2.264 -0.503 -32.754 139 HG3 GLN 521 HG3 GLN 521 1.858 0.798 -31.639 140 HE21 GLN 521 HE21 GLN 521 4.583 -0.763 -33.425 141 HE22 GLN 521 HE22 GLN 521 5.560 0.701 -33.482 142 HA PRO 522 HA PRO 522 -1.739 -0.949 -28.632 143 HB2 PRO 522 HB2 PRO 522 -1.203 0.663 -26.451 144 HB3 PRO 522 HB3 PRO 522 -1.146 -1.113 -26.388 145 HG2 PRO 522 HG2 PRO 522 1.183 0.781 -26.760 146 HG3 PRO 522 HG3 PRO 522 1.042 -0.606 -25.631 147 HD2 PRO 522 HD2 PRO 522 2.321 -0.851 -27.989 148 HD3 PRO 522 HD3 PRO 522 1.291 -2.176 -27.382 149 H GLY 523 H GLY 523 -2.993 0.685 -29.436 150 HA2 GLY 523 HA2 GLY 523 -1.657 2.870 -30.834 151 HA3 GLY 523 HA3 GLY 523 -3.397 2.533 -30.802 152 HA PRO 524 HA PRO 524 -2.232 6.087 -27.837 153 HB2 PRO 524 HB2 PRO 524 -2.288 8.326 -29.401 154 HB3 PRO 524 HB3 PRO 524 -0.835 7.291 -29.275 155 HG2 PRO 524 HG2 PRO 524 -2.951 7.272 -31.449 156 HG3 PRO 524 HG3 PRO 524 -1.171 7.298 -31.640 157 HD2 PRO 524 HD2 PRO 524 -2.671 4.990 -31.743 158 HD3 PRO 524 HD3 PRO 524 -0.987 5.017 -31.123 159 H PHE 525 H PHE 525 -4.617 5.603 -30.392 160 HA PHE 525 HA PHE 525 -6.599 7.350 -29.014 161 HB2 PHE 525 HB2 PHE 525 -6.894 5.829 -31.627 162 HB3 PHE 525 HB3 PHE 525 -7.940 7.095 -31.009 163 HD1 PHE 525 HD2 PHE 525 -6.476 9.394 -30.415 164 HD2 PHE 525 HD1 PHE 525 -5.544 6.435 -33.413 165 HE1 PHE 525 HE2 PHE 525 -5.118 11.066 -31.651 166 HE2 PHE 525 HE1 PHE 525 -4.188 8.100 -34.634 167 HZ PHE 525 HZ PHE 525 -3.966 10.423 -33.761 168 H PHE 526 H PHE 526 -8.418 6.559 -28.046 169 HA PHE 526 HA PHE 526 -8.765 3.581 -28.016 170 HB2 PHE 526 HB2 PHE 526 -8.013 4.449 -25.829 171 HB3 PHE 526 HB3 PHE 526 -9.325 5.610 -25.810 172 HD1 PHE 526 HD1 PHE 526 -11.675 4.880 -25.427 173 HD2 PHE 526 HD2 PHE 526 -8.405 2.083 -25.309 174 HE1 PHE 526 HE1 PHE 526 -13.128 3.237 -24.284 175 HE2 PHE 526 HE2 PHE 526 -9.873 0.413 -24.206 176 HZ PHE 526 HZ PHE 526 -12.238 0.984 -23.688 177 H CYS 527 H CYS 527 -10.696 2.816 -28.668 178 HA CYS 527 HA CYS 527 -12.828 4.802 -29.318 179 HB2 CYS 527 HB2 CYS 527 -12.042 3.201 -31.082 180 HB3 CYS 527 HB3 CYS 527 -12.601 1.857 -30.071 181 H ARG 528 H ARG 528 -14.534 5.035 -28.010 182 HA ARG 528 HA ARG 528 -14.836 3.183 -25.727 183 HB2 ARG 528 HB2 ARG 528 -16.556 4.980 -25.016 184 HB3 ARG 528 HB3 ARG 528 -14.867 5.400 -25.058 185 HG2 ARG 528 HG2 ARG 528 -16.341 7.198 -25.852 186 HG3 ARG 528 HG3 ARG 528 -15.078 6.750 -26.979 187 HD2 ARG 528 HD2 ARG 528 -17.156 7.294 -28.130 188 HD3 ARG 528 HD3 ARG 528 -16.682 5.621 -28.426 189 HE ARG 528 HE ARG 528 -18.556 5.932 -26.203 190 HH11 ARG 528 HH11 ARG 528 -18.456 5.669 -29.730 191 HH12 ARG 528 HH12 ARG 528 -19.915 4.724 -29.799 192 HH21 ARG 528 HH21 ARG 528 -20.559 4.915 -26.386 193 HH22 ARG 528 HH22 ARG 528 -21.187 4.516 -27.958 194 H ASP 529 H ASP 529 -16.043 3.048 -28.802 195 HA ASP 529 HA ASP 529 -18.874 2.678 -28.314 196 HB2 ASP 529 HB2 ASP 529 -17.681 3.236 -30.557 197 HB3 ASP 529 HB3 ASP 529 -17.334 1.496 -30.650 198 H GLN 530 H GLN 530 -20.087 0.726 -28.340 199 HA GLN 530 HA GLN 530 -18.961 -1.430 -26.815 200 HB2 GLN 530 HB2 GLN 530 -21.375 -0.735 -26.869 201 HB3 GLN 530 HB3 GLN 530 -21.509 -1.402 -28.499 202 HG2 GLN 530 HG2 GLN 530 -21.027 -3.663 -27.633 203 HG3 GLN 530 HG3 GLN 530 -20.719 -3.006 -26.020 204 HE21 GLN 530 HE21 GLN 530 -23.331 -3.317 -28.527 205 HE22 GLN 530 HE22 GLN 530 -24.625 -3.338 -27.340 206 H VAL 531 H VAL 531 -19.256 -0.817 -30.307 207 HA VAL 531 HA VAL 531 -18.883 -3.555 -31.197 208 HB VAL 531 HB VAL 531 -18.354 -0.859 -32.481 209 HG11 VAL 531 HG11 VAL 531 -18.284 -2.076 -34.676 210 HG12 VAL 531 HG12 VAL 531 -16.863 -2.321 -33.658 211 HG13 VAL 531 HG13 VAL 531 -18.107 -3.595 -33.777 212 HG21 VAL 531 HG21 VAL 531 -20.528 -2.901 -33.081 213 HG22 VAL 531 HG22 VAL 531 -20.760 -1.407 -32.148 214 HG23 VAL 531 HG23 VAL 531 -20.304 -1.319 -33.862 215 H CYS 532 H CYS 532 -16.619 -0.866 -30.473 216 HA CYS 532 HA CYS 532 -14.306 -2.592 -31.208 217 HB2 CYS 532 HB2 CYS 532 -14.590 0.379 -30.658 218 HB3 CYS 532 HB3 CYS 532 -13.042 -0.411 -30.975 219 H PHE 533 H PHE 533 -14.542 0.009 -28.730 220 HA PHE 533 HA PHE 533 -13.780 0.122 -26.561 221 HB2 PHE 533 HB2 PHE 533 -15.624 -1.732 -26.445 222 HB3 PHE 533 HB3 PHE 533 -14.299 -2.856 -26.217 223 HD1 PHE 533 HD2 PHE 533 -15.335 0.592 -24.975 224 HD2 PHE 533 HD1 PHE 533 -13.853 -3.337 -23.937 225 HE1 PHE 533 HE2 PHE 533 -15.373 1.202 -22.577 226 HE2 PHE 533 HE1 PHE 533 -13.890 -2.707 -21.537 227 HZ PHE 533 HZ PHE 533 -14.661 -0.444 -20.851 228 H LYS 534 H LYS 534 -11.750 0.005 -28.371 229 HA LYS 534 HA LYS 534 -9.577 -1.319 -26.896 230 HB2 LYS 534 HB2 LYS 534 -10.703 -2.988 -28.581 231 HB3 LYS 534 HB3 LYS 534 -9.894 -2.060 -29.832 232 HG2 LYS 534 HG2 LYS 534 -7.709 -2.707 -28.955 233 HG3 LYS 534 HG3 LYS 534 -8.445 -3.361 -27.472 234 HD2 LYS 534 HD2 LYS 534 -9.596 -5.107 -28.781 235 HD3 LYS 534 HD3 LYS 534 -9.010 -4.391 -30.284 236 HE2 LYS 534 HE2 LYS 534 -7.675 -6.323 -29.823 237 HE3 LYS 534 HE3 LYS 534 -6.667 -4.890 -29.618 238 HZ1 LYS 534 HZ1 LYS 534 -6.354 -6.525 -27.849 239 HZ2 LYS 534 HZ2 LYS 534 -7.922 -6.415 -27.396 240 HZ3 LYS 534 HZ3 LYS 534 -6.904 -5.142 -27.210 241 H TYR 535 H TYR 535 -7.407 -0.921 -28.145 242 HA TYR 535 HA TYR 535 -7.382 1.932 -28.916 243 HB2 TYR 535 HB2 TYR 535 -5.063 0.020 -28.488 244 HB3 TYR 535 HB3 TYR 535 -4.974 1.765 -28.656 245 HD1 TYR 535 HD2 TYR 535 -5.933 3.267 -26.843 246 HD2 TYR 535 HD1 TYR 535 -5.507 -0.992 -26.411 247 HE1 TYR 535 HE2 TYR 535 -6.165 3.490 -24.372 248 HE2 TYR 535 HE1 TYR 535 -5.675 -0.773 -23.956 249 HH TYR 535 HH TYR 535 -5.771 0.666 -22.185 250 H PHE 536 H PHE 536 -6.296 2.740 -30.787 251 HA PHE 536 HA PHE 536 -5.466 0.798 -32.854 252 HB2 PHE 536 HB2 PHE 536 -7.590 2.898 -33.422 253 HB3 PHE 536 HB3 PHE 536 -6.871 1.822 -34.595 254 HD1 PHE 536 HD2 PHE 536 -7.387 -0.631 -34.554 255 HD2 PHE 536 HD1 PHE 536 -9.411 2.180 -31.992 256 HE1 PHE 536 HE2 PHE 536 -9.157 -2.321 -34.100 257 HE2 PHE 536 HE1 PHE 536 -11.164 0.503 -31.535 258 HZ PHE 536 HZ PHE 536 -11.046 -1.760 -32.578 259 H CYS 537 H CYS 537 -4.005 1.648 -34.345 260 HA CYS 537 HA CYS 537 -2.693 4.177 -33.648 261 HB2 CYS 537 HB2 CYS 537 -2.172 2.563 -36.164 262 HB3 CYS 537 HB3 CYS 537 -1.058 3.565 -35.236 263 H ARG 538 H ARG 538 -2.134 5.693 -35.637 264 HA ARG 538 HA ARG 538 -4.486 7.051 -36.412 265 HB2 ARG 538 HB2 ARG 538 -1.814 7.035 -37.884 266 HB3 ARG 538 HB3 ARG 538 -3.084 8.260 -38.009 267 HG2 ARG 538 HG2 ARG 538 -2.668 9.070 -35.793 268 HG3 ARG 538 HG3 ARG 538 -1.604 7.704 -35.417 269 HD2 ARG 538 HD2 ARG 538 -0.250 9.637 -35.834 270 HD3 ARG 538 HD3 ARG 538 -0.021 8.495 -37.168 271 HE ARG 538 HE ARG 538 -2.105 10.429 -37.740 272 HH11 ARG 538 HH12 ARG 538 1.424 10.160 -37.693 273 HH12 ARG 538 HH11 ARG 538 1.625 11.420 -38.874 274 HH21 ARG 538 HH21 ARG 538 -1.774 12.036 -39.267 275 HH22 ARG 538 HH22 ARG 538 -0.161 12.468 -39.745 276 H SER 539 H SER 539 -2.521 4.752 -38.384 277 HA SER 539 HA SER 539 -4.298 4.899 -40.681 278 HB2 SER 539 HB2 SER 539 -2.940 2.854 -41.407 279 HB3 SER 539 HB3 SER 539 -2.025 4.340 -41.102 280 HG SER 539 HG SER 539 -1.041 2.485 -40.125 281 H CYS 540 H CYS 540 -3.844 2.577 -37.979 282 HA CYS 540 HA CYS 540 -5.678 0.598 -38.922 283 HB2 CYS 540 HB2 CYS 540 -4.920 1.295 -36.070 284 HB3 CYS 540 HB3 CYS 540 -5.612 -0.228 -36.593 285 H TRP 541 H TRP 541 -6.126 3.527 -36.939 286 HA TRP 541 HA TRP 541 -8.835 3.002 -36.146 287 HB2 TRP 541 HB2 TRP 541 -7.403 4.665 -35.019 288 HB3 TRP 541 HB3 TRP 541 -7.281 5.612 -36.491 289 HD1 TRP 541 HD1 TRP 541 -9.487 6.886 -37.302 290 HE1 TRP 541 HE1 TRP 541 -11.648 7.636 -36.097 291 HE3 TRP 541 HE3 TRP 541 -8.699 4.641 -32.791 292 HZ2 TRP 541 HZ2 TRP 541 -13.038 6.923 -33.622 293 HZ3 TRP 541 HZ3 TRP 541 -10.390 4.761 -31.007 294 HH2 TRP 541 HH2 TRP 541 -12.603 5.821 -31.438 295 H HIS 542 H HIS 542 -7.392 4.862 -38.867 296 HA HIS 542 HA HIS 542 -9.817 5.735 -40.056 297 HB2 HIS 542 HB2 HIS 542 -7.586 6.580 -40.687 298 HB3 HIS 542 HB3 HIS 542 -7.149 5.006 -41.351 299 HD2 HIS 542 HD2 HIS 542 -9.530 7.989 -42.035 300 HE1 HIS 542 HE1 HIS 542 -9.264 5.746 -45.644 301 HE2 HIS 542 HE2 HIS 542 -10.183 7.873 -44.581 302 H TRP 543 H TRP 543 -7.925 2.694 -40.512 303 HA TRP 543 HA TRP 543 -9.608 1.596 -42.566 304 HB2 TRP 543 HB2 TRP 543 -7.303 0.822 -42.040 305 HB3 TRP 543 HB3 TRP 543 -7.856 0.180 -40.501 306 HD1 TRP 543 HD1 TRP 543 -7.826 -0.530 -44.212 307 HE1 TRP 543 HE1 TRP 543 -8.707 -2.887 -44.704 308 HE3 TRP 543 HE3 TRP 543 -9.488 -1.779 -39.519 309 HZ2 TRP 543 HZ2 TRP 543 -10.064 -4.997 -43.278 310 HZ3 TRP 543 HZ3 TRP 543 -10.638 -3.940 -39.140 311 HH2 TRP 543 HH2 TRP 543 -10.927 -5.559 -41.002 312 H ARG 544 H ARG 544 -9.584 1.182 -38.977 313 HA ARG 544 HA ARG 544 -11.574 -0.832 -38.846 314 HB2 ARG 544 HB2 ARG 544 -10.102 -0.295 -36.980 315 HB3 ARG 544 HB3 ARG 544 -10.764 1.325 -36.854 316 HG2 ARG 544 HG2 ARG 544 -11.582 0.018 -35.051 317 HG3 ARG 544 HG3 ARG 544 -12.944 0.391 -36.084 318 HD2 ARG 544 HD2 ARG 544 -11.436 -2.255 -36.230 319 HD3 ARG 544 HD3 ARG 544 -12.778 -1.972 -35.108 320 HE ARG 544 HE ARG 544 -13.712 -1.215 -37.643 321 HH11 ARG 544 HH21 ARG 544 -12.731 -4.247 -36.096 322 HH12 ARG 544 HH22 ARG 544 -13.784 -5.195 -37.103 323 HH21 ARG 544 HH11 ARG 544 -15.021 -2.475 -38.890 324 HH22 ARG 544 HH12 ARG 544 -15.080 -4.196 -38.662 325 H HIS 545 H HIS 545 -11.919 2.741 -38.619 326 HA HIS 545 HA HIS 545 -14.833 2.439 -38.237 327 HB2 HIS 545 HB2 HIS 545 -13.051 4.928 -38.299 328 HB3 HIS 545 HB3 HIS 545 -14.751 4.873 -37.793 329 HD1 HIS 545 HD1 HIS 545 -11.309 4.214 -36.420 330 HD2 HIS 545 HD2 HIS 545 -15.267 3.072 -35.680 331 HE1 HIS 545 HE1 HIS 545 -11.321 3.144 -34.095 332 H SER 546 H SER 546 -12.937 2.472 -40.981 333 HA SER 546 HA SER 546 -14.450 4.241 -42.725 334 HB2 SER 546 HB2 SER 546 -12.172 3.396 -43.269 335 HB3 SER 546 HB3 SER 546 -12.831 1.746 -43.364 336 HG SER 546 HG SER 546 -12.614 2.782 -45.434 337 H MET 547 H MET 547 -14.803 0.897 -41.584 338 HA MET 547 HA MET 547 -16.678 -0.083 -43.467 339 HB2 MET 547 HB2 MET 547 -15.478 -1.423 -41.739 340 HB3 MET 547 HB3 MET 547 -16.489 -0.705 -40.482 341 HG2 MET 547 HG2 MET 547 -18.496 -1.701 -41.485 342 HG3 MET 547 HG3 MET 547 -17.549 -2.349 -42.826 343 HE1 MET 547 HE1 MET 547 -14.974 -3.667 -41.637 344 HE2 MET 547 HE2 MET 547 -15.595 -5.297 -41.312 345 HE3 MET 547 HE3 MET 547 -16.104 -4.434 -42.775 346 H GLU 548 H GLU 548 -18.846 0.130 -43.756 347 HA GLU 548 HA GLU 548 -20.282 2.346 -42.708 348 HB2 GLU 548 HB2 GLU 548 -21.180 -0.240 -44.035 349 HB3 GLU 548 HB3 GLU 548 -22.312 1.034 -43.599 350 HG2 GLU 548 HG2 GLU 548 -19.922 1.565 -45.411 351 HG3 GLU 548 HG3 GLU 548 -21.466 0.974 -46.015 352 H GLY 549 H GLY 549 -21.671 2.629 -41.005 353 HA2 GLY 549 HA2 GLY 549 -23.164 1.867 -39.298 354 HA3 GLY 549 HA3 GLY 549 -22.408 0.263 -39.352 355 H LEU 550 H LEU 550 -19.681 1.868 -39.345 356 HA LEU 550 HA LEU 550 -19.612 2.304 -36.368 357 HB2 LEU 550 HB2 LEU 550 -17.454 1.390 -38.318 358 HB3 LEU 550 HB3 LEU 550 -17.147 1.937 -36.671 359 HG LEU 550 HG LEU 550 -18.521 0.109 -35.759 360 HD11 LEU 550 HD11 LEU 550 -18.856 -1.921 -37.136 361 HD12 LEU 550 HD12 LEU 550 -18.461 -0.984 -38.600 362 HD13 LEU 550 HD13 LEU 550 -19.904 -0.602 -37.623 363 HD21 LEU 550 HD21 LEU 550 -16.041 -0.431 -37.435 364 HD22 LEU 550 HD22 LEU 550 -16.667 -1.580 -36.234 365 HD23 LEU 550 HD23 LEU 550 -16.131 0.025 -35.717 366 H ARG 551 H ARG 551 -19.948 4.105 -39.060 367 HA ARG 551 HA ARG 551 -17.722 5.929 -38.971 368 HB2 ARG 551 HB2 ARG 551 -20.516 6.133 -40.179 369 HB3 ARG 551 HB3 ARG 551 -19.274 7.382 -40.386 370 HG2 ARG 551 HG2 ARG 551 -17.742 5.799 -41.438 371 HG3 ARG 551 HG3 ARG 551 -18.835 4.451 -41.118 372 HD2 ARG 551 HD2 ARG 551 -18.997 5.030 -43.418 373 HD3 ARG 551 HD3 ARG 551 -20.526 5.429 -42.617 374 HE ARG 551 HE ARG 551 -18.894 7.757 -42.633 375 HH11 ARG 551 HH21 ARG 551 -20.549 5.705 -45.004 376 HH12 ARG 551 HH22 ARG 551 -20.789 7.033 -46.112 377 HH21 ARG 551 HH11 ARG 551 -19.231 9.420 -44.114 378 HH22 ARG 551 HH12 ARG 551 -20.038 9.099 -45.618 379 H HIS 552 H HIS 552 -20.308 5.536 -36.787 380 HA HIS 552 HA HIS 552 -20.511 8.384 -36.023 381 HB2 HIS 552 HB2 HIS 552 -22.177 7.604 -34.418 382 HB3 HIS 552 HB3 HIS 552 -22.516 6.925 -36.005 383 HD2 HIS 552 HD2 HIS 552 -21.678 5.923 -32.438 384 HE1 HIS 552 HE1 HIS 552 -21.450 2.303 -34.648 385 HE2 HIS 552 HE2 HIS 552 -21.456 3.321 -32.298 386 H HIS 553 H HIS 553 -18.268 5.953 -35.441 387 HA HIS 553 HA HIS 553 -17.891 6.189 -32.579 388 HB2 HIS 553 HB2 HIS 553 -16.063 5.203 -34.799 389 HB3 HIS 553 HB3 HIS 553 -15.679 5.075 -33.094 390 HD2 HIS 553 HD2 HIS 553 -19.279 4.223 -34.029 391 HE1 HIS 553 HE1 HIS 553 -17.257 0.521 -33.518 392 HE2 HIS 553 HE2 HIS 553 -19.542 1.608 -33.833 393 H SER 554 H SER 554 -15.997 7.092 -31.487 394 HA SER 554 HA SER 554 -14.450 9.158 -32.926 395 HB2 SER 554 HB2 SER 554 -14.990 10.887 -31.198 396 HB3 SER 554 HB3 SER 554 -16.370 10.448 -32.211 397 HG SER 554 HG SER 554 -16.949 10.566 -29.989 398 HA PRO 555 HA PRO 555 -11.466 7.573 -30.055 399 HB2 PRO 555 HB2 PRO 555 -9.333 9.173 -30.616 400 HB3 PRO 555 HB3 PRO 555 -10.014 8.054 -31.832 401 HG2 PRO 555 HG2 PRO 555 -10.509 11.030 -31.562 402 HG3 PRO 555 HG3 PRO 555 -10.145 10.090 -33.039 403 HD2 PRO 555 HD2 PRO 555 -12.710 10.794 -32.235 404 HD3 PRO 555 HD3 PRO 555 -12.330 9.346 -33.222 405 H LEU 556 H LEU 556 -11.084 7.824 -27.902 406 HA LEU 556 HA LEU 556 -11.831 10.239 -26.520 407 HB2 LEU 556 HB2 LEU 556 -10.321 7.741 -25.623 408 HB3 LEU 556 HB3 LEU 556 -10.780 9.053 -24.551 409 HG LEU 556 HG LEU 556 -12.613 7.101 -25.967 410 HD11 LEU 556 HD11 LEU 556 -11.603 6.523 -23.749 411 HD12 LEU 556 HD12 LEU 556 -13.369 6.683 -23.669 412 HD13 LEU 556 HD13 LEU 556 -12.328 7.988 -23.059 413 HD21 LEU 556 HD21 LEU 556 -13.231 9.834 -24.801 414 HD22 LEU 556 HD22 LEU 556 -14.473 8.541 -24.882 415 HD23 LEU 556 HD23 LEU 556 -13.710 9.136 -26.373 416 H MET 557 H MET 557 -10.490 11.537 -25.151 417 HA MET 557 HA MET 557 -7.943 12.280 -26.444 418 HB2 MET 557 HB2 MET 557 -9.448 13.398 -24.032 419 HB3 MET 557 HB3 MET 557 -7.933 14.066 -24.647 420 HG2 MET 557 HG2 MET 557 -10.509 13.840 -26.254 421 HG3 MET 557 HG3 MET 557 -9.926 15.294 -25.453 422 HE1 MET 557 HE1 MET 557 -10.797 15.094 -28.513 423 HE2 MET 557 HE2 MET 557 -10.269 16.596 -27.721 424 HE3 MET 557 HE3 MET 557 -9.547 16.103 -29.266 425 H ARG 558 H ARG 558 -5.911 12.435 -25.302 426 HA ARG 558 HA ARG 558 -5.240 10.088 -23.783 427 HB2 ARG 558 HB2 ARG 558 -3.727 12.712 -24.203 428 HB3 ARG 558 HB3 ARG 558 -3.047 11.266 -23.448 429 HG2 ARG 558 HG2 ARG 558 -3.511 9.968 -25.530 430 HG3 ARG 558 HG3 ARG 558 -4.043 11.455 -26.327 431 HD2 ARG 558 HD2 ARG 558 -1.284 11.020 -25.101 432 HD3 ARG 558 HD3 ARG 558 -1.670 10.792 -26.814 433 HE ARG 558 HE ARG 558 -2.519 13.377 -26.253 434 HH11 ARG 558 HH11 ARG 558 0.615 11.714 -26.142 435 HH12 ARG 558 HH12 ARG 558 1.482 13.185 -26.518 436 HH21 ARG 558 HH21 ARG 558 -1.278 15.217 -26.739 437 HH22 ARG 558 HH22 ARG 558 0.461 15.071 -26.833 438 H ASN 559 H ASN 559 -4.614 9.860 -21.596 439 HA ASN 559 HA ASN 559 -6.177 11.324 -19.672 440 HB2 ASN 559 HB2 ASN 559 -3.788 9.452 -19.316 441 HB3 ASN 559 HB3 ASN 559 -4.794 10.050 -17.999 442 HD21 ASN 559 HD21 ASN 559 -4.463 7.502 -20.263 443 HD22 ASN 559 HD22 ASN 559 -6.072 6.837 -20.064 444 H GLN 560 H GLN 560 -2.897 11.728 -20.942 445 HA GLN 560 HA GLN 560 -2.730 14.362 -19.659 446 HB2 GLN 560 HB2 GLN 560 -1.747 12.796 -17.954 447 HB3 GLN 560 HB3 GLN 560 -0.581 12.246 -19.154 448 HG2 GLN 560 HG2 GLN 560 0.411 13.860 -17.596 449 HG3 GLN 560 HG3 GLN 560 0.438 14.493 -19.231 450 HE21 GLN 560 HE21 GLN 560 -0.997 14.885 -15.989 451 HE22 GLN 560 HE22 GLN 560 -1.742 16.437 -16.345 452 H LYS 561 H LYS 561 -1.409 15.787 -20.796 453 HA LYS 561 HA LYS 561 -0.633 14.869 -23.503 454 HB2 LYS 561 HB2 LYS 561 -0.704 17.632 -22.201 455 HB3 LYS 561 HB3 LYS 561 -0.239 17.324 -23.880 456 HG2 LYS 561 HG2 LYS 561 -2.476 16.349 -24.338 457 HG3 LYS 561 HG3 LYS 561 -2.966 16.685 -22.666 458 HD2 LYS 561 HD2 LYS 561 -2.587 19.108 -23.033 459 HD3 LYS 561 HD3 LYS 561 -2.104 18.779 -24.712 460 HE2 LYS 561 HE2 LYS 561 -4.344 17.796 -25.163 461 HE3 LYS 561 HE3 LYS 561 -4.823 18.106 -23.489 462 HZ1 LYS 561 HZ1 LYS 561 -4.542 20.484 -23.917 463 HZ2 LYS 561 HZ2 LYS 561 -5.613 19.849 -24.974 464 HZ3 LYS 561 HZ3 LYS 561 -4.094 20.200 -25.465 465 H ASN 562 H ASN 562 1.446 15.022 -24.379 466 HA ASN 562 HA ASN 562 3.667 14.700 -22.527 467 HB2 ASN 562 HB2 ASN 562 5.022 14.463 -24.567 468 HB3 ASN 562 HB3 ASN 562 3.569 13.483 -24.672 469 HD21 ASN 562 HD21 ASN 562 5.280 16.294 -26.053 470 HD22 ASN 562 HD22 ASN 562 4.161 16.488 -27.389 471 H ARG 563 H ARG 563 5.649 16.012 -22.573 472 HA ARG 563 HA ARG 563 5.112 18.869 -22.401 473 HB2 ARG 563 HB2 ARG 563 7.705 17.256 -22.285 474 HB3 ARG 563 HB3 ARG 563 7.590 18.995 -22.007 475 HG2 ARG 563 HG2 ARG 563 6.093 18.622 -20.080 476 HG3 ARG 563 HG3 ARG 563 6.227 16.866 -20.312 477 HD2 ARG 563 HD2 ARG 563 8.660 16.976 -19.951 478 HD3 ARG 563 HD3 ARG 563 8.577 18.743 -19.799 479 HE ARG 563 HE ARG 563 6.795 17.578 -17.914 480 HH11 ARG 563 HH11 ARG 563 10.315 17.833 -18.379 481 HH12 ARG 563 HH12 ARG 563 10.612 17.825 -16.668 482 HH21 ARG 563 HH21 ARG 563 7.281 17.531 -15.731 483 HH22 ARG 563 HH22 ARG 563 8.932 17.632 -15.197 484 H ASP 564 H ASP 564 5.900 20.535 -23.716 485 HA ASP 564 HA ASP 564 6.388 19.884 -26.543 486 HB2 ASP 564 HB2 ASP 564 5.048 21.862 -25.831 487 HB3 ASP 564 HB3 ASP 564 6.473 22.543 -25.047 488 H SER 565 H SER 565 8.261 20.714 -23.667 489 HA SER 565 HA SER 565 10.739 19.964 -25.033 490 HB2 SER 565 HB2 SER 565 10.484 22.439 -25.521 491 HB3 SER 565 HB3 SER 565 10.539 22.737 -23.776 492 HG SER 565 HG SER 565 12.613 22.950 -24.806 493 H SER 566 H SER 566 12.460 19.498 -23.531 494 HA SER 566 HA SER 566 12.000 19.758 -20.646 495 HB2 SER 566 HB2 SER 566 10.538 17.784 -21.413 496 HB3 SER 566 HB3 SER 566 12.042 16.948 -21.815 497 HG SER 566 HG SER 566 11.694 16.349 -19.752 Start of MODEL 12 1 H1 GLY 502 H1 GLY 502 -8.131 5.546 -0.069 2 H2 GLY 502 H2 GLY 502 -7.759 4.090 0.518 3 H3 GLY 502 H3 GLY 502 -8.821 4.239 -0.693 4 HA2 GLY 502 HA2 GLY 502 -5.908 4.744 -0.928 5 HA3 GLY 502 HA3 GLY 502 -6.741 3.287 -1.509 6 HA PRO 503 HA PRO 503 -6.661 6.700 -4.811 7 HB2 PRO 503 HB2 PRO 503 -4.716 5.747 -6.497 8 HB3 PRO 503 HB3 PRO 503 -4.338 6.708 -5.038 9 HG2 PRO 503 HG2 PRO 503 -4.296 3.689 -5.338 10 HG3 PRO 503 HG3 PRO 503 -3.027 4.748 -4.646 11 HD2 PRO 503 HD2 PRO 503 -4.861 3.439 -3.089 12 HD3 PRO 503 HD3 PRO 503 -4.246 5.067 -2.657 13 H VAL 504 H VAL 504 -7.323 6.480 -7.102 14 HA VAL 504 HA VAL 504 -9.256 4.395 -7.492 15 HB VAL 504 HB VAL 504 -9.358 6.658 -8.496 16 HG11 VAL 504 HG11 VAL 504 -8.178 7.296 -10.504 17 HG12 VAL 504 HG12 VAL 504 -6.992 6.940 -9.241 18 HG13 VAL 504 HG13 VAL 504 -7.289 5.767 -10.544 19 HG21 VAL 504 HG21 VAL 504 -10.363 6.034 -10.600 20 HG22 VAL 504 HG22 VAL 504 -9.483 4.497 -10.631 21 HG23 VAL 504 HG23 VAL 504 -10.724 4.790 -9.391 22 H GLN 505 H GLN 505 -9.262 2.526 -8.706 23 HA GLN 505 HA GLN 505 -6.574 1.517 -9.550 24 HB2 GLN 505 HB2 GLN 505 -9.142 -0.010 -8.922 25 HB3 GLN 505 HB3 GLN 505 -7.587 -0.728 -9.335 26 HG2 GLN 505 HG2 GLN 505 -8.214 0.895 -6.825 27 HG3 GLN 505 HG3 GLN 505 -7.993 -0.844 -6.920 28 HE21 GLN 505 HE21 GLN 505 -6.361 2.104 -6.279 29 HE22 GLN 505 HE22 GLN 505 -4.728 1.459 -6.414 30 H ILE 506 H ILE 506 -6.297 0.497 -11.569 31 HA ILE 506 HA ILE 506 -8.543 0.793 -13.532 32 HB ILE 506 HB ILE 506 -5.625 1.483 -14.146 33 HG12 ILE 506 HG12 ILE 506 -6.768 3.875 -14.506 34 HG13 ILE 506 HG13 ILE 506 -7.875 3.316 -13.267 35 HG21 ILE 506 HG21 ILE 506 -6.920 0.728 -16.097 36 HG22 ILE 506 HG22 ILE 506 -8.202 1.901 -15.728 37 HG23 ILE 506 HG23 ILE 506 -6.583 2.440 -16.225 38 HD11 ILE 506 HD11 ILE 506 -5.919 3.054 -11.709 39 HD12 ILE 506 HD12 ILE 506 -4.829 3.516 -13.030 40 HD13 ILE 506 HD13 ILE 506 -5.997 4.682 -12.387 41 H ASP 507 H ASP 507 -8.759 -0.874 -14.973 42 HA ASP 507 HA ASP 507 -7.411 -3.370 -14.419 43 HB2 ASP 507 HB2 ASP 507 -9.250 -2.468 -16.677 44 HB3 ASP 507 HB3 ASP 507 -8.659 -4.115 -16.517 45 HA PRO 508 HA PRO 508 -3.830 -3.083 -16.997 46 HB2 PRO 508 HB2 PRO 508 -3.558 -5.709 -17.865 47 HB3 PRO 508 HB3 PRO 508 -3.183 -5.147 -16.214 48 HG2 PRO 508 HG2 PRO 508 -5.728 -6.466 -17.194 49 HG3 PRO 508 HG3 PRO 508 -4.763 -6.859 -15.734 50 HD2 PRO 508 HD2 PRO 508 -6.964 -5.305 -15.576 51 HD3 PRO 508 HD3 PRO 508 -5.511 -4.910 -14.605 52 H TYR 509 H TYR 509 -6.767 -4.592 -18.346 53 HA TYR 509 HA TYR 509 -5.977 -4.509 -21.105 54 HB2 TYR 509 HB2 TYR 509 -8.795 -4.368 -19.990 55 HB3 TYR 509 HB3 TYR 509 -8.314 -4.934 -21.585 56 HD1 TYR 509 HD2 TYR 509 -6.742 -7.034 -21.675 57 HD2 TYR 509 HD1 TYR 509 -9.048 -5.901 -18.210 58 HE1 TYR 509 HE2 TYR 509 -6.529 -9.348 -20.776 59 HE2 TYR 509 HE1 TYR 509 -8.832 -8.203 -17.306 60 HH TYR 509 HH TYR 509 -7.984 -10.318 -17.637 61 H LEU 510 H LEU 510 -6.967 -2.058 -18.895 62 HA LEU 510 HA LEU 510 -7.509 -0.134 -21.133 63 HB2 LEU 510 HB2 LEU 510 -8.353 -0.168 -18.205 64 HB3 LEU 510 HB3 LEU 510 -8.369 1.304 -19.171 65 HG LEU 510 HG LEU 510 -9.969 0.381 -20.743 66 HD11 LEU 510 HD11 LEU 510 -9.643 -2.010 -20.703 67 HD12 LEU 510 HD12 LEU 510 -11.270 -1.689 -20.119 68 HD13 LEU 510 HD13 LEU 510 -9.987 -2.090 -18.957 69 HD21 LEU 510 HD21 LEU 510 -10.695 1.658 -18.755 70 HD22 LEU 510 HD22 LEU 510 -10.832 0.149 -17.826 71 HD23 LEU 510 HD23 LEU 510 -11.901 0.447 -19.215 72 H GLU 511 H GLU 511 -5.014 -1.203 -19.212 73 HA GLU 511 HA GLU 511 -3.816 1.447 -18.652 74 HB2 GLU 511 HB2 GLU 511 -3.643 -0.491 -17.038 75 HB3 GLU 511 HB3 GLU 511 -2.678 -1.350 -18.234 76 HG2 GLU 511 HG2 GLU 511 -1.193 -0.404 -16.627 77 HG3 GLU 511 HG3 GLU 511 -0.966 0.478 -18.127 78 H ASP 512 H ASP 512 -3.252 -1.458 -20.706 79 HA ASP 512 HA ASP 512 -1.991 0.177 -22.777 80 HB2 ASP 512 HB2 ASP 512 -0.066 -0.162 -21.238 81 HB3 ASP 512 HB3 ASP 512 -0.322 -1.900 -21.272 82 H SER 513 H SER 513 -3.521 -0.611 -24.213 83 HA SER 513 HA SER 513 -3.768 -3.567 -24.524 84 HB2 SER 513 HB2 SER 513 -5.776 -1.939 -24.277 85 HB3 SER 513 HB3 SER 513 -5.443 -1.486 -25.953 86 HG SER 513 HG SER 513 -6.883 -3.478 -25.164 87 H LEU 514 H LEU 514 -3.074 -4.647 -26.314 88 HA LEU 514 HA LEU 514 -1.371 -3.282 -28.254 89 HB2 LEU 514 HB2 LEU 514 -0.948 -5.609 -27.438 90 HB3 LEU 514 HB3 LEU 514 -2.462 -6.127 -28.169 91 HG LEU 514 HG LEU 514 -1.514 -5.510 -30.435 92 HD11 LEU 514 HD11 LEU 514 0.910 -5.210 -30.660 93 HD12 LEU 514 HD12 LEU 514 1.114 -5.279 -28.895 94 HD13 LEU 514 HD13 LEU 514 0.250 -3.927 -29.643 95 HD21 LEU 514 HD21 LEU 514 0.024 -7.573 -28.804 96 HD22 LEU 514 HD22 LEU 514 -0.079 -7.512 -30.576 97 HD23 LEU 514 HD23 LEU 514 -1.535 -7.827 -29.620 98 H CYS 515 H CYS 515 -1.846 -2.664 -30.338 99 HA CYS 515 HA CYS 515 -4.565 -2.193 -31.093 100 HB2 CYS 515 HB2 CYS 515 -2.593 -0.911 -31.932 101 HB3 CYS 515 HB3 CYS 515 -2.082 -2.335 -32.839 102 H HIS 516 H HIS 516 -6.069 -3.485 -31.963 103 HA HIS 516 HA HIS 516 -5.566 -6.281 -32.295 104 HB2 HIS 516 HB2 HIS 516 -7.722 -5.295 -31.573 105 HB3 HIS 516 HB3 HIS 516 -7.962 -4.611 -33.179 106 HD2 HIS 516 HD2 HIS 516 -9.307 -6.092 -34.829 107 HE1 HIS 516 HE1 HIS 516 -8.985 -9.849 -32.852 108 HE2 HIS 516 HE2 HIS 516 -10.041 -8.618 -34.817 109 H ILE 517 H ILE 517 -5.549 -3.603 -34.601 110 HA ILE 517 HA ILE 517 -6.000 -5.233 -36.966 111 HB ILE 517 HB ILE 517 -4.895 -2.402 -36.664 112 HG12 ILE 517 HG12 ILE 517 -7.088 -2.382 -35.762 113 HG13 ILE 517 HG13 ILE 517 -7.202 -1.704 -37.374 114 HG21 ILE 517 HG21 ILE 517 -5.614 -2.102 -39.046 115 HG22 ILE 517 HG22 ILE 517 -4.254 -3.203 -38.851 116 HG23 ILE 517 HG23 ILE 517 -5.882 -3.854 -39.152 117 HD11 ILE 517 HD11 ILE 517 -8.112 -4.461 -36.460 118 HD12 ILE 517 HD12 ILE 517 -9.099 -3.118 -37.049 119 HD13 ILE 517 HD13 ILE 517 -8.028 -3.983 -38.170 120 H CYS 518 H CYS 518 -3.072 -3.324 -35.999 121 HA CYS 518 HA CYS 518 -1.451 -4.861 -37.890 122 HB2 CYS 518 HB2 CYS 518 0.355 -3.340 -37.180 123 HB3 CYS 518 HB3 CYS 518 -1.104 -2.493 -37.684 124 H SER 519 H SER 519 -2.047 -4.901 -34.408 125 HA SER 519 HA SER 519 -1.265 -6.268 -32.701 126 HB2 SER 519 HB2 SER 519 -0.500 -8.145 -34.999 127 HB3 SER 519 HB3 SER 519 -0.700 -8.583 -33.303 128 HG SER 519 HG SER 519 -2.727 -7.634 -35.072 129 H SER 520 H SER 520 0.722 -4.387 -34.170 130 HA SER 520 HA SER 520 3.281 -5.748 -33.371 131 HB2 SER 520 HB2 SER 520 2.776 -3.522 -35.398 132 HB3 SER 520 HB3 SER 520 4.362 -4.195 -34.993 133 HG SER 520 HG SER 520 2.167 -5.694 -36.066 134 H GLN 521 H GLN 521 1.119 -3.291 -32.418 135 HA GLN 521 HA GLN 521 2.910 -2.230 -30.410 136 HB2 GLN 521 HB2 GLN 521 2.974 0.115 -31.235 137 HB3 GLN 521 HB3 GLN 521 3.844 -0.942 -32.311 138 HG2 GLN 521 HG2 GLN 521 2.179 -0.790 -34.005 139 HG3 GLN 521 HG3 GLN 521 0.947 -0.206 -32.890 140 HE21 GLN 521 HE21 GLN 521 1.262 2.006 -31.890 141 HE22 GLN 521 HE22 GLN 521 2.088 3.197 -32.889 142 HA PRO 522 HA PRO 522 -1.111 -0.985 -28.836 143 HB2 PRO 522 HB2 PRO 522 -0.447 0.895 -26.973 144 HB3 PRO 522 HB3 PRO 522 -0.017 -0.832 -26.776 145 HG2 PRO 522 HG2 PRO 522 1.738 1.413 -27.821 146 HG3 PRO 522 HG3 PRO 522 2.134 0.195 -26.569 147 HD2 PRO 522 HD2 PRO 522 2.879 -0.077 -29.177 148 HD3 PRO 522 HD3 PRO 522 2.450 -1.489 -28.171 149 H GLY 523 H GLY 523 -2.649 0.779 -28.922 150 HA2 GLY 523 HA2 GLY 523 -1.873 2.871 -30.910 151 HA3 GLY 523 HA3 GLY 523 -3.520 2.320 -30.572 152 HA PRO 524 HA PRO 524 -2.240 5.993 -27.752 153 HB2 PRO 524 HB2 PRO 524 -2.344 8.247 -29.298 154 HB3 PRO 524 HB3 PRO 524 -0.880 7.226 -29.191 155 HG2 PRO 524 HG2 PRO 524 -3.013 7.201 -31.344 156 HG3 PRO 524 HG3 PRO 524 -1.235 7.246 -31.553 157 HD2 PRO 524 HD2 PRO 524 -2.710 4.929 -31.664 158 HD3 PRO 524 HD3 PRO 524 -1.026 4.963 -31.045 159 H PHE 525 H PHE 525 -4.674 5.528 -30.268 160 HA PHE 525 HA PHE 525 -6.634 7.239 -28.809 161 HB2 PHE 525 HB2 PHE 525 -6.942 5.869 -31.506 162 HB3 PHE 525 HB3 PHE 525 -7.977 7.108 -30.815 163 HD1 PHE 525 HD2 PHE 525 -6.509 9.350 -30.075 164 HD2 PHE 525 HD1 PHE 525 -5.534 6.568 -33.228 165 HE1 PHE 525 HE2 PHE 525 -5.097 11.075 -31.167 166 HE2 PHE 525 HE1 PHE 525 -4.122 8.298 -34.308 167 HZ PHE 525 HZ PHE 525 -3.904 10.554 -33.286 168 H PHE 526 H PHE 526 -8.463 6.424 -27.882 169 HA PHE 526 HA PHE 526 -8.873 3.454 -28.014 170 HB2 PHE 526 HB2 PHE 526 -8.204 3.955 -25.775 171 HB3 PHE 526 HB3 PHE 526 -9.173 5.418 -25.719 172 HD1 PHE 526 HD1 PHE 526 -9.302 1.716 -25.430 173 HD2 PHE 526 HD2 PHE 526 -11.561 5.370 -25.274 174 HE1 PHE 526 HE1 PHE 526 -11.170 0.509 -24.340 175 HE2 PHE 526 HE2 PHE 526 -13.430 4.174 -24.168 176 HZ PHE 526 HZ PHE 526 -13.236 1.736 -23.694 177 H CYS 527 H CYS 527 -10.878 2.732 -28.566 178 HA CYS 527 HA CYS 527 -12.869 4.803 -29.349 179 HB2 CYS 527 HB2 CYS 527 -12.149 3.092 -31.010 180 HB3 CYS 527 HB3 CYS 527 -12.781 1.819 -29.956 181 H ARG 528 H ARG 528 -14.685 5.161 -28.227 182 HA ARG 528 HA ARG 528 -15.118 3.598 -25.763 183 HB2 ARG 528 HB2 ARG 528 -16.778 5.465 -25.278 184 HB3 ARG 528 HB3 ARG 528 -15.115 5.941 -25.494 185 HG2 ARG 528 HG2 ARG 528 -16.601 7.562 -26.499 186 HG3 ARG 528 HG3 ARG 528 -15.555 6.841 -27.711 187 HD2 ARG 528 HD2 ARG 528 -17.439 5.418 -28.479 188 HD3 ARG 528 HD3 ARG 528 -18.492 6.151 -27.247 189 HE ARG 528 HE ARG 528 -17.488 8.280 -28.724 190 HH11 ARG 528 HH11 ARG 528 -19.460 5.426 -29.489 191 HH12 ARG 528 HH12 ARG 528 -20.128 6.165 -30.907 192 HH21 ARG 528 HH21 ARG 528 -18.336 9.114 -30.686 193 HH22 ARG 528 HH22 ARG 528 -19.501 8.185 -31.567 194 H ASP 529 H ASP 529 -16.173 3.045 -28.839 195 HA ASP 529 HA ASP 529 -19.042 2.781 -28.375 196 HB2 ASP 529 HB2 ASP 529 -17.877 3.263 -30.623 197 HB3 ASP 529 HB3 ASP 529 -17.454 1.535 -30.654 198 H GLN 530 H GLN 530 -20.264 0.839 -28.316 199 HA GLN 530 HA GLN 530 -19.225 -1.259 -26.685 200 HB2 GLN 530 HB2 GLN 530 -21.618 -1.374 -28.563 201 HB3 GLN 530 HB3 GLN 530 -21.334 -2.405 -27.172 202 HG2 GLN 530 HG2 GLN 530 -21.972 0.582 -27.120 203 HG3 GLN 530 HG3 GLN 530 -23.064 -0.738 -26.734 204 HE21 GLN 530 HE21 GLN 530 -21.896 -2.347 -24.915 205 HE22 GLN 530 HE22 GLN 530 -21.346 -1.413 -23.534 206 H VAL 531 H VAL 531 -19.321 -0.806 -30.209 207 HA VAL 531 HA VAL 531 -18.927 -3.574 -30.953 208 HB VAL 531 HB VAL 531 -18.406 -0.922 -32.317 209 HG11 VAL 531 HG11 VAL 531 -17.961 -3.639 -33.579 210 HG12 VAL 531 HG12 VAL 531 -18.150 -2.112 -34.471 211 HG13 VAL 531 HG13 VAL 531 -16.783 -2.311 -33.372 212 HG21 VAL 531 HG21 VAL 531 -20.276 -1.533 -33.770 213 HG22 VAL 531 HG22 VAL 531 -20.440 -3.101 -32.945 214 HG23 VAL 531 HG23 VAL 531 -20.791 -1.593 -32.072 215 H CYS 532 H CYS 532 -16.676 -0.920 -30.135 216 HA CYS 532 HA CYS 532 -14.364 -2.611 -30.938 217 HB2 CYS 532 HB2 CYS 532 -14.689 0.359 -30.400 218 HB3 CYS 532 HB3 CYS 532 -13.123 -0.406 -30.727 219 H PHE 533 H PHE 533 -14.561 -0.019 -28.436 220 HA PHE 533 HA PHE 533 -13.487 0.150 -26.398 221 HB2 PHE 533 HB2 PHE 533 -14.484 -2.725 -26.142 222 HB3 PHE 533 HB3 PHE 533 -13.726 -1.831 -24.843 223 HD1 PHE 533 HD2 PHE 533 -15.036 0.930 -25.179 224 HD2 PHE 533 HD1 PHE 533 -16.591 -3.111 -25.178 225 HE1 PHE 533 HE2 PHE 533 -17.130 1.723 -24.159 226 HE2 PHE 533 HE1 PHE 533 -18.693 -2.287 -24.161 227 HZ PHE 533 HZ PHE 533 -18.956 0.132 -23.632 228 H LYS 534 H LYS 534 -11.612 0.066 -28.198 229 HA LYS 534 HA LYS 534 -9.442 -1.616 -27.113 230 HB2 LYS 534 HB2 LYS 534 -10.416 -3.217 -28.614 231 HB3 LYS 534 HB3 LYS 534 -10.708 -2.009 -29.840 232 HG2 LYS 534 HG2 LYS 534 -9.048 -3.522 -30.602 233 HG3 LYS 534 HG3 LYS 534 -8.372 -1.926 -30.436 234 HD2 LYS 534 HD2 LYS 534 -6.706 -3.386 -29.701 235 HD3 LYS 534 HD3 LYS 534 -7.343 -2.730 -28.199 236 HE2 LYS 534 HE2 LYS 534 -8.695 -4.772 -27.851 237 HE3 LYS 534 HE3 LYS 534 -8.100 -5.428 -29.385 238 HZ1 LYS 534 HZ1 LYS 534 -6.768 -6.282 -27.569 239 HZ2 LYS 534 HZ2 LYS 534 -6.423 -4.769 -27.023 240 HZ3 LYS 534 HZ3 LYS 534 -5.825 -5.258 -28.454 241 H TYR 535 H TYR 535 -7.338 -1.011 -27.918 242 HA TYR 535 HA TYR 535 -7.140 1.814 -28.675 243 HB2 TYR 535 HB2 TYR 535 -5.054 -0.334 -28.162 244 HB3 TYR 535 HB3 TYR 535 -4.688 1.326 -28.558 245 HD1 TYR 535 HD2 TYR 535 -7.452 0.952 -26.140 246 HD2 TYR 535 HD1 TYR 535 -3.180 1.163 -26.636 247 HE1 TYR 535 HE2 TYR 535 -7.209 1.447 -23.728 248 HE2 TYR 535 HE1 TYR 535 -2.926 1.702 -24.234 249 HH TYR 535 HH TYR 535 -5.707 2.014 -22.017 250 H PHE 536 H PHE 536 -6.287 2.659 -30.595 251 HA PHE 536 HA PHE 536 -5.416 0.759 -32.707 252 HB2 PHE 536 HB2 PHE 536 -7.570 2.849 -33.153 253 HB3 PHE 536 HB3 PHE 536 -6.870 1.828 -34.387 254 HD1 PHE 536 HD1 PHE 536 -7.167 -0.747 -34.130 255 HD2 PHE 536 HD2 PHE 536 -9.549 2.167 -32.035 256 HE1 PHE 536 HE1 PHE 536 -8.962 -2.441 -33.808 257 HE2 PHE 536 HE2 PHE 536 -11.336 0.488 -31.726 258 HZ PHE 536 HZ PHE 536 -11.049 -1.826 -32.601 259 H CYS 537 H CYS 537 -4.003 1.637 -34.221 260 HA CYS 537 HA CYS 537 -2.711 4.194 -33.591 261 HB2 CYS 537 HB2 CYS 537 -2.307 2.633 -36.156 262 HB3 CYS 537 HB3 CYS 537 -1.162 3.633 -35.272 263 H ARG 538 H ARG 538 -2.355 5.787 -35.526 264 HA ARG 538 HA ARG 538 -4.859 6.961 -36.198 265 HB2 ARG 538 HB2 ARG 538 -2.382 7.901 -36.199 266 HB3 ARG 538 HB3 ARG 538 -2.375 7.441 -37.891 267 HG2 ARG 538 HG2 ARG 538 -4.244 9.409 -36.493 268 HG3 ARG 538 HG3 ARG 538 -2.923 9.791 -37.596 269 HD2 ARG 538 HD2 ARG 538 -4.206 8.563 -39.415 270 HD3 ARG 538 HD3 ARG 538 -5.568 8.467 -38.270 271 HE ARG 538 HE ARG 538 -4.651 11.166 -38.477 272 HH11 ARG 538 HH21 ARG 538 -6.524 8.798 -40.321 273 HH12 ARG 538 HH22 ARG 538 -7.426 10.024 -41.161 274 HH21 ARG 538 HH11 ARG 538 -5.850 12.701 -39.596 275 HH22 ARG 538 HH12 ARG 538 -7.045 12.204 -40.754 276 H SER 539 H SER 539 -2.639 5.000 -38.266 277 HA SER 539 HA SER 539 -4.357 5.079 -40.597 278 HB2 SER 539 HB2 SER 539 -2.849 3.146 -41.337 279 HB3 SER 539 HB3 SER 539 -2.040 4.675 -40.953 280 HG SER 539 HG SER 539 -0.975 2.855 -39.997 281 H CYS 540 H CYS 540 -3.847 2.702 -37.956 282 HA CYS 540 HA CYS 540 -5.546 0.659 -39.015 283 HB2 CYS 540 HB2 CYS 540 -4.815 1.312 -36.139 284 HB3 CYS 540 HB3 CYS 540 -5.522 -0.204 -36.672 285 H TRP 541 H TRP 541 -6.182 3.441 -36.855 286 HA TRP 541 HA TRP 541 -8.880 2.787 -36.179 287 HB2 TRP 541 HB2 TRP 541 -7.580 4.485 -34.972 288 HB3 TRP 541 HB3 TRP 541 -7.432 5.467 -36.418 289 HD1 TRP 541 HD1 TRP 541 -9.761 6.580 -37.343 290 HE1 TRP 541 HE1 TRP 541 -11.892 7.341 -36.122 291 HE3 TRP 541 HE3 TRP 541 -8.818 4.556 -32.750 292 HZ2 TRP 541 HZ2 TRP 541 -13.188 6.779 -33.575 293 HZ3 TRP 541 HZ3 TRP 541 -10.480 4.719 -30.940 294 HH2 TRP 541 HH2 TRP 541 -12.706 5.756 -31.366 295 H HIS 542 H HIS 542 -7.474 4.783 -38.822 296 HA HIS 542 HA HIS 542 -9.920 5.576 -40.026 297 HB2 HIS 542 HB2 HIS 542 -7.692 6.518 -40.573 298 HB3 HIS 542 HB3 HIS 542 -7.219 5.001 -41.336 299 HD2 HIS 542 HD2 HIS 542 -8.032 4.566 -43.812 300 HE1 HIS 542 HE1 HIS 542 -10.397 8.069 -44.326 301 HE2 HIS 542 HE2 HIS 542 -9.399 6.044 -45.507 302 H TRP 543 H TRP 543 -7.845 2.675 -40.615 303 HA TRP 543 HA TRP 543 -9.416 1.552 -42.718 304 HB2 TRP 543 HB2 TRP 543 -7.114 0.847 -42.122 305 HB3 TRP 543 HB3 TRP 543 -7.695 0.167 -40.612 306 HD1 TRP 543 HD1 TRP 543 -7.516 -0.506 -44.326 307 HE1 TRP 543 HE1 TRP 543 -8.197 -2.924 -44.839 308 HE3 TRP 543 HE3 TRP 543 -9.252 -1.865 -39.690 309 HZ2 TRP 543 HZ2 TRP 543 -9.374 -5.152 -43.434 310 HZ3 TRP 543 HZ3 TRP 543 -10.195 -4.129 -39.330 311 HH2 TRP 543 HH2 TRP 543 -10.243 -5.785 -41.179 312 H ARG 544 H ARG 544 -9.595 1.138 -39.141 313 HA ARG 544 HA ARG 544 -11.552 -0.961 -39.209 314 HB2 ARG 544 HB2 ARG 544 -9.924 -0.144 -37.334 315 HB3 ARG 544 HB3 ARG 544 -11.192 0.971 -36.881 316 HG2 ARG 544 HG2 ARG 544 -11.250 -2.078 -36.865 317 HG3 ARG 544 HG3 ARG 544 -11.126 -0.996 -35.489 318 HD2 ARG 544 HD2 ARG 544 -13.319 -1.532 -35.290 319 HD3 ARG 544 HD3 ARG 544 -13.482 -0.110 -36.304 320 HE ARG 544 HE ARG 544 -14.024 -1.464 -38.156 321 HH11 ARG 544 HH11 ARG 544 -13.310 -3.559 -35.385 322 HH12 ARG 544 HH12 ARG 544 -14.014 -4.953 -36.146 323 HH21 ARG 544 HH21 ARG 544 -14.848 -3.319 -39.095 324 HH22 ARG 544 HH22 ARG 544 -14.885 -4.812 -38.208 325 H HIS 545 H HIS 545 -11.873 2.586 -38.642 326 HA HIS 545 HA HIS 545 -14.779 2.288 -38.266 327 HB2 HIS 545 HB2 HIS 545 -12.956 4.745 -38.198 328 HB3 HIS 545 HB3 HIS 545 -14.661 4.713 -37.723 329 HD1 HIS 545 HD1 HIS 545 -11.264 3.870 -36.335 330 HD2 HIS 545 HD2 HIS 545 -15.296 2.990 -35.625 331 HE1 HIS 545 HE1 HIS 545 -11.363 2.819 -34.004 332 H SER 546 H SER 546 -12.774 2.824 -41.012 333 HA SER 546 HA SER 546 -14.410 4.596 -42.581 334 HB2 SER 546 HB2 SER 546 -12.145 3.994 -43.267 335 HB3 SER 546 HB3 SER 546 -12.620 2.277 -43.392 336 HG SER 546 HG SER 546 -12.552 3.376 -45.440 337 H MET 547 H MET 547 -14.627 1.136 -41.822 338 HA MET 547 HA MET 547 -16.511 0.305 -43.771 339 HB2 MET 547 HB2 MET 547 -16.261 -0.606 -40.867 340 HB3 MET 547 HB3 MET 547 -17.069 -1.488 -42.169 341 HG2 MET 547 HG2 MET 547 -14.896 -1.648 -43.385 342 HG3 MET 547 HG3 MET 547 -14.097 -0.810 -42.051 343 HE1 MET 547 HE1 MET 547 -12.904 -3.405 -43.082 344 HE2 MET 547 HE2 MET 547 -12.299 -2.549 -41.647 345 HE3 MET 547 HE3 MET 547 -12.600 -4.296 -41.578 346 H GLU 548 H GLU 548 -18.681 0.531 -44.013 347 HA GLU 548 HA GLU 548 -20.077 2.631 -42.701 348 HB2 GLU 548 HB2 GLU 548 -22.065 1.768 -43.844 349 HB3 GLU 548 HB3 GLU 548 -20.680 1.827 -44.925 350 HG2 GLU 548 HG2 GLU 548 -20.377 -0.653 -44.627 351 HG3 GLU 548 HG3 GLU 548 -21.831 -0.680 -43.625 352 H GLY 549 H GLY 549 -21.678 2.676 -41.106 353 HA2 GLY 549 HA2 GLY 549 -23.132 1.678 -39.485 354 HA3 GLY 549 HA3 GLY 549 -22.239 0.152 -39.624 355 H LEU 550 H LEU 550 -19.616 1.796 -39.444 356 HA LEU 550 HA LEU 550 -19.655 2.184 -36.459 357 HB2 LEU 550 HB2 LEU 550 -17.469 1.255 -38.364 358 HB3 LEU 550 HB3 LEU 550 -17.140 1.862 -36.744 359 HG LEU 550 HG LEU 550 -18.547 0.089 -35.756 360 HD11 LEU 550 HD11 LEU 550 -19.922 -0.674 -37.621 361 HD12 LEU 550 HD12 LEU 550 -18.919 -1.985 -37.025 362 HD13 LEU 550 HD13 LEU 550 -18.465 -1.148 -38.535 363 HD21 LEU 550 HD21 LEU 550 -16.177 -0.032 -35.672 364 HD22 LEU 550 HD22 LEU 550 -16.061 -0.505 -37.384 365 HD23 LEU 550 HD23 LEU 550 -16.709 -1.643 -36.179 366 H ARG 551 H ARG 551 -19.919 4.032 -39.125 367 HA ARG 551 HA ARG 551 -17.707 5.872 -38.915 368 HB2 ARG 551 HB2 ARG 551 -20.451 6.127 -40.237 369 HB3 ARG 551 HB3 ARG 551 -19.139 7.310 -40.424 370 HG2 ARG 551 HG2 ARG 551 -17.643 5.573 -41.322 371 HG3 ARG 551 HG3 ARG 551 -18.906 4.348 -41.135 372 HD2 ARG 551 HD2 ARG 551 -20.321 5.532 -42.760 373 HD3 ARG 551 HD3 ARG 551 -19.051 6.760 -42.974 374 HE ARG 551 HE ARG 551 -17.733 4.366 -43.401 375 HH11 ARG 551 HH21 ARG 551 -20.537 5.826 -45.010 376 HH12 ARG 551 HH22 ARG 551 -20.196 4.998 -46.500 377 HH21 ARG 551 HH11 ARG 551 -17.338 3.414 -45.262 378 HH22 ARG 551 HH12 ARG 551 -18.373 3.629 -46.661 379 H HIS 552 H HIS 552 -20.280 5.392 -36.791 380 HA HIS 552 HA HIS 552 -20.586 8.239 -36.015 381 HB2 HIS 552 HB2 HIS 552 -22.314 7.412 -34.499 382 HB3 HIS 552 HB3 HIS 552 -22.577 6.764 -36.112 383 HD2 HIS 552 HD2 HIS 552 -21.933 5.699 -32.539 384 HE1 HIS 552 HE1 HIS 552 -21.490 2.124 -34.790 385 HE2 HIS 552 HE2 HIS 552 -21.642 3.107 -32.429 386 H HIS 553 H HIS 553 -18.263 5.932 -35.444 387 HA HIS 553 HA HIS 553 -18.012 6.096 -32.541 388 HB2 HIS 553 HB2 HIS 553 -16.110 5.130 -34.712 389 HB3 HIS 553 HB3 HIS 553 -15.784 4.992 -32.995 390 HD2 HIS 553 HD2 HIS 553 -19.365 4.134 -34.010 391 HE1 HIS 553 HE1 HIS 553 -17.333 0.438 -33.477 392 HE2 HIS 553 HE2 HIS 553 -19.614 1.521 -33.843 393 H SER 554 H SER 554 -16.131 7.001 -31.393 394 HA SER 554 HA SER 554 -14.650 9.167 -32.790 395 HB2 SER 554 HB2 SER 554 -16.083 9.676 -30.154 396 HB3 SER 554 HB3 SER 554 -15.182 10.836 -31.131 397 HG SER 554 HG SER 554 -17.270 11.244 -31.627 398 HA PRO 555 HA PRO 555 -11.513 7.499 -30.077 399 HB2 PRO 555 HB2 PRO 555 -9.427 9.137 -30.720 400 HB3 PRO 555 HB3 PRO 555 -10.105 7.969 -31.888 401 HG2 PRO 555 HG2 PRO 555 -10.643 10.941 -31.705 402 HG3 PRO 555 HG3 PRO 555 -10.324 9.950 -33.158 403 HD2 PRO 555 HD2 PRO 555 -12.861 10.670 -32.264 404 HD3 PRO 555 HD3 PRO 555 -12.515 9.208 -33.244 405 H LEU 556 H LEU 556 -11.302 7.772 -27.913 406 HA LEU 556 HA LEU 556 -11.974 10.273 -26.634 407 HB2 LEU 556 HB2 LEU 556 -10.774 7.670 -25.581 408 HB3 LEU 556 HB3 LEU 556 -11.157 9.053 -24.570 409 HG LEU 556 HG LEU 556 -13.069 7.202 -25.993 410 HD11 LEU 556 HD11 LEU 556 -14.070 7.114 -23.739 411 HD12 LEU 556 HD12 LEU 556 -12.956 8.374 -23.171 412 HD13 LEU 556 HD13 LEU 556 -12.332 6.779 -23.629 413 HD21 LEU 556 HD21 LEU 556 -13.931 9.285 -26.688 414 HD22 LEU 556 HD22 LEU 556 -13.567 10.071 -25.126 415 HD23 LEU 556 HD23 LEU 556 -14.891 8.867 -25.254 416 H MET 557 H MET 557 -10.687 11.579 -25.296 417 HA MET 557 HA MET 557 -7.732 11.446 -25.819 418 HB2 MET 557 HB2 MET 557 -9.463 13.961 -25.824 419 HB3 MET 557 HB3 MET 557 -7.706 13.927 -25.974 420 HG2 MET 557 HG2 MET 557 -9.665 12.690 -27.950 421 HG3 MET 557 HG3 MET 557 -8.883 14.250 -28.136 422 HE1 MET 557 HE1 MET 557 -7.410 11.826 -30.890 423 HE2 MET 557 HE2 MET 557 -9.004 11.667 -30.129 424 HE3 MET 557 HE3 MET 557 -8.393 13.273 -30.588 425 H ARG 558 H ARG 558 -6.436 11.846 -24.069 426 HA ARG 558 HA ARG 558 -7.703 11.862 -21.435 427 HB2 ARG 558 HB2 ARG 558 -5.423 11.706 -20.580 428 HB3 ARG 558 HB3 ARG 558 -5.692 10.526 -21.856 429 HG2 ARG 558 HG2 ARG 558 -4.451 11.958 -23.466 430 HG3 ARG 558 HG3 ARG 558 -4.170 13.158 -22.197 431 HD2 ARG 558 HD2 ARG 558 -3.216 10.267 -22.113 432 HD3 ARG 558 HD3 ARG 558 -2.224 11.632 -22.609 433 HE ARG 558 HE ARG 558 -3.000 10.881 -19.889 434 HH11 ARG 558 HH11 ARG 558 -1.723 13.556 -21.825 435 HH12 ARG 558 HH12 ARG 558 -1.033 14.344 -20.437 436 HH21 ARG 558 HH21 ARG 558 -2.132 11.974 -18.146 437 HH22 ARG 558 HH22 ARG 558 -1.290 13.473 -18.383 438 H ASN 559 H ASN 559 -7.423 13.433 -19.786 439 HA ASN 559 HA ASN 559 -7.310 16.208 -20.759 440 HB2 ASN 559 HB2 ASN 559 -8.951 15.329 -19.023 441 HB3 ASN 559 HB3 ASN 559 -7.607 15.180 -17.895 442 HD21 ASN 559 HD21 ASN 559 -9.571 16.683 -16.959 443 HD22 ASN 559 HD22 ASN 559 -9.228 18.397 -17.114 444 H GLN 560 H GLN 560 -5.717 17.718 -20.312 445 HA GLN 560 HA GLN 560 -3.052 16.705 -19.636 446 HB2 GLN 560 HB2 GLN 560 -4.102 19.525 -20.177 447 HB3 GLN 560 HB3 GLN 560 -2.403 19.113 -19.919 448 HG2 GLN 560 HG2 GLN 560 -2.480 17.578 -21.891 449 HG3 GLN 560 HG3 GLN 560 -4.146 18.081 -22.202 450 HE21 GLN 560 HE21 GLN 560 -4.488 20.514 -22.626 451 HE22 GLN 560 HE22 GLN 560 -3.172 21.351 -23.433 452 H LYS 561 H LYS 561 -5.670 18.479 -18.010 453 HA LYS 561 HA LYS 561 -3.976 19.038 -15.636 454 HB2 LYS 561 HB2 LYS 561 -6.905 19.643 -16.267 455 HB3 LYS 561 HB3 LYS 561 -6.079 20.094 -14.768 456 HG2 LYS 561 HG2 LYS 561 -4.466 21.478 -16.055 457 HG3 LYS 561 HG3 LYS 561 -5.261 21.016 -17.564 458 HD2 LYS 561 HD2 LYS 561 -6.003 23.213 -16.952 459 HD3 LYS 561 HD3 LYS 561 -7.364 22.091 -16.796 460 HE2 LYS 561 HE2 LYS 561 -7.013 21.998 -14.337 461 HE3 LYS 561 HE3 LYS 561 -5.606 23.060 -14.488 462 HZ1 LYS 561 HZ1 LYS 561 -7.090 24.798 -15.319 463 HZ2 LYS 561 HZ2 LYS 561 -7.590 24.296 -13.848 464 HZ3 LYS 561 HZ3 LYS 561 -8.392 23.816 -15.187 465 H ASN 562 H ASN 562 -4.266 18.099 -13.612 466 HA ASN 562 HA ASN 562 -5.517 15.432 -13.588 467 HB2 ASN 562 HB2 ASN 562 -4.499 15.220 -11.377 468 HB3 ASN 562 HB3 ASN 562 -3.310 15.828 -12.517 469 HD21 ASN 562 HD21 ASN 562 -5.201 16.609 -9.597 470 HD22 ASN 562 HD22 ASN 562 -4.364 18.117 -9.290 471 H ARG 563 H ARG 563 -7.018 14.761 -11.874 472 HA ARG 563 HA ARG 563 -9.179 16.683 -11.429 473 HB2 ARG 563 HB2 ARG 563 -9.563 14.251 -11.863 474 HB3 ARG 563 HB3 ARG 563 -8.752 13.859 -10.352 475 HG2 ARG 563 HG2 ARG 563 -11.146 13.687 -10.083 476 HG3 ARG 563 HG3 ARG 563 -10.549 15.001 -9.077 477 HD2 ARG 563 HD2 ARG 563 -11.307 16.637 -10.831 478 HD3 ARG 563 HD3 ARG 563 -11.937 15.278 -11.783 479 HE ARG 563 HE ARG 563 -13.066 15.035 -9.232 480 HH11 ARG 563 HH21 ARG 563 -13.233 17.441 -11.827 481 HH12 ARG 563 HH22 ARG 563 -14.808 17.988 -11.337 482 HH21 ARG 563 HH11 ARG 563 -15.100 15.785 -8.665 483 HH22 ARG 563 HH12 ARG 563 -15.849 17.060 -9.577 484 H ASP 564 H ASP 564 -9.854 17.559 -9.453 485 HA ASP 564 HA ASP 564 -8.305 17.047 -6.999 486 HB2 ASP 564 HB2 ASP 564 -6.949 18.769 -8.182 487 HB3 ASP 564 HB3 ASP 564 -8.370 19.803 -8.313 488 H SER 565 H SER 565 -9.392 17.688 -5.113 489 HA SER 565 HA SER 565 -11.801 19.318 -5.180 490 HB2 SER 565 HB2 SER 565 -12.583 17.084 -6.157 491 HB3 SER 565 HB3 SER 565 -12.198 16.351 -4.593 492 HG SER 565 HG SER 565 -14.422 16.995 -4.780 493 H SER 566 H SER 566 -12.878 19.361 -2.984 494 HA SER 566 HA SER 566 -10.810 19.412 -0.891 495 HB2 SER 566 HB2 SER 566 -12.652 20.360 0.500 496 HB3 SER 566 HB3 SER 566 -12.405 21.244 -1.013 497 HG SER 566 HG SER 566 -14.645 20.839 -0.580 Start of MODEL 13 1 H1 GLY 502 H1 GLY 502 15.404 11.097 -22.775 2 H2 GLY 502 H2 GLY 502 15.046 10.057 -21.594 3 H3 GLY 502 H3 GLY 502 15.181 11.624 -21.265 4 HA2 GLY 502 HA2 GLY 502 13.138 12.145 -22.491 5 HA3 GLY 502 HA3 GLY 502 12.990 10.415 -22.862 6 HA PRO 503 HA PRO 503 10.800 11.469 -18.806 7 HB2 PRO 503 HB2 PRO 503 8.191 11.089 -19.573 8 HB3 PRO 503 HB3 PRO 503 9.069 12.619 -19.865 9 HG2 PRO 503 HG2 PRO 503 8.649 10.318 -21.802 10 HG3 PRO 503 HG3 PRO 503 8.361 12.065 -22.083 11 HD2 PRO 503 HD2 PRO 503 10.668 10.820 -22.857 12 HD3 PRO 503 HD3 PRO 503 10.668 12.511 -22.262 13 H VAL 504 H VAL 504 9.656 9.969 -17.381 14 HA VAL 504 HA VAL 504 9.056 7.248 -18.274 15 HB VAL 504 HB VAL 504 11.552 7.185 -18.152 16 HG11 VAL 504 HG11 VAL 504 11.306 7.699 -15.162 17 HG12 VAL 504 HG12 VAL 504 12.776 7.321 -16.071 18 HG13 VAL 504 HG13 VAL 504 11.945 8.857 -16.352 19 HG21 VAL 504 HG21 VAL 504 10.196 5.153 -17.691 20 HG22 VAL 504 HG22 VAL 504 11.787 5.156 -16.915 21 HG23 VAL 504 HG23 VAL 504 10.342 5.487 -15.948 22 H GLN 505 H GLN 505 7.947 6.030 -16.691 23 HA GLN 505 HA GLN 505 7.484 7.338 -14.049 24 HB2 GLN 505 HB2 GLN 505 5.301 6.398 -15.969 25 HB3 GLN 505 HB3 GLN 505 5.037 6.842 -14.282 26 HG2 GLN 505 HG2 GLN 505 5.863 9.156 -14.784 27 HG3 GLN 505 HG3 GLN 505 6.001 8.710 -16.491 28 HE21 GLN 505 HE21 GLN 505 3.615 9.066 -13.795 29 HE22 GLN 505 HE22 GLN 505 2.254 9.316 -14.875 30 H ILE 506 H ILE 506 7.065 5.908 -12.363 31 HA ILE 506 HA ILE 506 7.773 3.091 -12.842 32 HB ILE 506 HB ILE 506 7.543 2.878 -10.393 33 HG12 ILE 506 HG12 ILE 506 6.787 5.836 -10.336 34 HG13 ILE 506 HG13 ILE 506 5.691 4.494 -10.003 35 HG21 ILE 506 HG21 ILE 506 9.644 3.646 -11.513 36 HG22 ILE 506 HG22 ILE 506 9.190 5.326 -11.154 37 HG23 ILE 506 HG23 ILE 506 9.504 4.177 -9.838 38 HD11 ILE 506 HD11 ILE 506 8.121 5.275 -8.353 39 HD12 ILE 506 HD12 ILE 506 6.414 5.421 -7.912 40 HD13 ILE 506 HD13 ILE 506 7.141 3.811 -8.083 41 H ASP 507 H ASP 507 4.852 4.946 -12.696 42 HA ASP 507 HA ASP 507 3.227 2.537 -13.082 43 HB2 ASP 507 HB2 ASP 507 3.336 2.679 -10.604 44 HB3 ASP 507 HB3 ASP 507 2.772 4.342 -10.655 45 HA PRO 508 HA PRO 508 1.836 6.367 -15.317 46 HB2 PRO 508 HB2 PRO 508 1.694 5.299 -17.840 47 HB3 PRO 508 HB3 PRO 508 3.233 5.823 -17.102 48 HG2 PRO 508 HG2 PRO 508 2.092 3.015 -17.230 49 HG3 PRO 508 HG3 PRO 508 3.749 3.557 -17.647 50 HD2 PRO 508 HD2 PRO 508 3.111 2.473 -15.218 51 HD3 PRO 508 HD3 PRO 508 4.349 3.759 -15.380 52 H TYR 509 H TYR 509 -0.225 6.846 -16.362 53 HA TYR 509 HA TYR 509 -2.384 5.120 -15.391 54 HB2 TYR 509 HB2 TYR 509 -3.852 6.898 -16.052 55 HB3 TYR 509 HB3 TYR 509 -2.464 7.607 -15.256 56 HD1 TYR 509 HD2 TYR 509 -0.694 8.807 -16.637 57 HD2 TYR 509 HD1 TYR 509 -4.428 7.450 -18.318 58 HE1 TYR 509 HE2 TYR 509 -0.353 10.302 -18.590 59 HE2 TYR 509 HE1 TYR 509 -4.109 8.975 -20.257 60 HH TYR 509 HH TYR 509 -1.207 11.065 -20.588 61 H LEU 510 H LEU 510 -0.521 5.156 -18.206 62 HA LEU 510 HA LEU 510 -2.712 4.089 -19.936 63 HB2 LEU 510 HB2 LEU 510 0.141 4.952 -20.583 64 HB3 LEU 510 HB3 LEU 510 -0.987 4.282 -21.757 65 HG LEU 510 HG LEU 510 -1.415 6.888 -20.233 66 HD11 LEU 510 HD11 LEU 510 0.463 7.024 -21.823 67 HD12 LEU 510 HD12 LEU 510 -0.918 7.982 -22.381 68 HD13 LEU 510 HD13 LEU 510 -0.578 6.402 -23.123 69 HD21 LEU 510 HD21 LEU 510 -2.987 5.598 -22.516 70 HD22 LEU 510 HD22 LEU 510 -3.216 7.263 -21.947 71 HD23 LEU 510 HD23 LEU 510 -3.575 5.914 -20.867 72 H GLU 511 H GLU 511 -2.544 2.048 -20.911 73 HA GLU 511 HA GLU 511 -0.635 0.172 -19.572 74 HB2 GLU 511 HB2 GLU 511 -3.288 -0.332 -21.002 75 HB3 GLU 511 HB3 GLU 511 -2.217 -1.597 -20.382 76 HG2 GLU 511 HG2 GLU 511 -2.418 -0.617 -18.088 77 HG3 GLU 511 HG3 GLU 511 -3.582 0.555 -18.709 78 H ASP 512 H ASP 512 0.483 -1.401 -20.838 79 HA ASP 512 HA ASP 512 1.243 -0.432 -23.511 80 HB2 ASP 512 HB2 ASP 512 2.887 -1.287 -21.804 81 HB3 ASP 512 HB3 ASP 512 2.190 -2.893 -21.967 82 H SER 513 H SER 513 -1.406 -1.079 -23.653 83 HA SER 513 HA SER 513 -1.811 -3.856 -24.473 84 HB2 SER 513 HB2 SER 513 -3.604 -1.412 -24.694 85 HB3 SER 513 HB3 SER 513 -4.095 -3.070 -25.058 86 HG SER 513 HG SER 513 -4.672 -2.470 -22.915 87 H LEU 514 H LEU 514 -1.551 -4.712 -26.453 88 HA LEU 514 HA LEU 514 -0.468 -3.136 -28.611 89 HB2 LEU 514 HB2 LEU 514 -1.368 -6.013 -28.292 90 HB3 LEU 514 HB3 LEU 514 -0.943 -5.395 -29.880 91 HG LEU 514 HG LEU 514 0.952 -5.291 -27.496 92 HD11 LEU 514 HD11 LEU 514 2.104 -7.184 -28.605 93 HD12 LEU 514 HD12 LEU 514 0.814 -7.257 -29.826 94 HD13 LEU 514 HD13 LEU 514 0.455 -7.620 -28.124 95 HD21 LEU 514 HD21 LEU 514 2.651 -4.933 -29.359 96 HD22 LEU 514 HD22 LEU 514 1.530 -3.590 -29.137 97 HD23 LEU 514 HD23 LEU 514 1.285 -4.719 -30.480 98 H CYS 515 H CYS 515 -1.336 -2.502 -30.563 99 HA CYS 515 HA CYS 515 -4.100 -1.790 -30.720 100 HB2 CYS 515 HB2 CYS 515 -2.412 -0.670 -32.068 101 HB3 CYS 515 HB3 CYS 515 -1.966 -2.189 -32.839 102 H HIS 516 H HIS 516 -5.892 -2.771 -31.571 103 HA HIS 516 HA HIS 516 -5.980 -5.618 -31.546 104 HB2 HIS 516 HB2 HIS 516 -7.897 -4.173 -31.009 105 HB3 HIS 516 HB3 HIS 516 -7.957 -3.588 -32.669 106 HD2 HIS 516 HD2 HIS 516 -9.839 -4.702 -34.014 107 HE1 HIS 516 HE1 HIS 516 -9.853 -8.574 -32.247 108 HE2 HIS 516 HE2 HIS 516 -10.933 -7.094 -34.018 109 H ILE 517 H ILE 517 -5.586 -3.325 -34.249 110 HA ILE 517 HA ILE 517 -6.284 -5.296 -36.295 111 HB ILE 517 HB ILE 517 -5.070 -2.501 -36.510 112 HG12 ILE 517 HG12 ILE 517 -7.249 -2.352 -35.517 113 HG13 ILE 517 HG13 ILE 517 -7.346 -1.794 -37.176 114 HG21 ILE 517 HG21 ILE 517 -4.546 -3.659 -38.564 115 HG22 ILE 517 HG22 ILE 517 -6.195 -4.306 -38.690 116 HG23 ILE 517 HG23 ILE 517 -5.892 -2.566 -38.880 117 HD11 ILE 517 HD11 ILE 517 -8.339 -4.032 -37.809 118 HD12 ILE 517 HD12 ILE 517 -8.353 -4.456 -36.081 119 HD13 ILE 517 HD13 ILE 517 -9.312 -3.090 -36.666 120 H CYS 518 H CYS 518 -3.236 -3.395 -35.798 121 HA CYS 518 HA CYS 518 -1.803 -5.240 -37.546 122 HB2 CYS 518 HB2 CYS 518 0.113 -3.735 -37.128 123 HB3 CYS 518 HB3 CYS 518 -1.331 -2.892 -37.673 124 H SER 519 H SER 519 -2.102 -4.783 -34.049 125 HA SER 519 HA SER 519 -1.236 -5.948 -32.236 126 HB2 SER 519 HB2 SER 519 -0.761 -8.165 -34.293 127 HB3 SER 519 HB3 SER 519 -0.867 -8.352 -32.542 128 HG SER 519 HG SER 519 -2.850 -8.865 -33.613 129 H SER 520 H SER 520 0.718 -4.468 -34.201 130 HA SER 520 HA SER 520 3.259 -5.850 -33.388 131 HB2 SER 520 HB2 SER 520 2.710 -3.874 -35.649 132 HB3 SER 520 HB3 SER 520 4.282 -4.602 -35.282 133 HG SER 520 HG SER 520 1.917 -6.073 -35.957 134 H GLN 521 H GLN 521 1.314 -3.237 -32.517 135 HA GLN 521 HA GLN 521 3.370 -2.020 -30.880 136 HB2 GLN 521 HB2 GLN 521 3.330 0.235 -31.918 137 HB3 GLN 521 HB3 GLN 521 3.981 -0.948 -33.028 138 HG2 GLN 521 HG2 GLN 521 1.757 -1.030 -34.196 139 HG3 GLN 521 HG3 GLN 521 1.157 0.203 -33.082 140 HE21 GLN 521 HE21 GLN 521 3.508 -0.406 -35.736 141 HE22 GLN 521 HE22 GLN 521 3.709 1.296 -36.117 142 HA PRO 522 HA PRO 522 -0.330 -0.903 -28.721 143 HB2 PRO 522 HB2 PRO 522 0.513 1.132 -27.088 144 HB3 PRO 522 HB3 PRO 522 1.069 -0.555 -26.898 145 HG2 PRO 522 HG2 PRO 522 2.491 1.721 -28.311 146 HG3 PRO 522 HG3 PRO 522 3.160 0.568 -27.115 147 HD2 PRO 522 HD2 PRO 522 3.459 0.229 -29.801 148 HD3 PRO 522 HD3 PRO 522 3.263 -1.164 -28.696 149 H GLY 523 H GLY 523 -2.134 0.338 -29.066 150 HA2 GLY 523 HA2 GLY 523 -1.870 2.564 -30.996 151 HA3 GLY 523 HA3 GLY 523 -3.367 1.766 -30.496 152 HA PRO 524 HA PRO 524 -2.235 5.547 -27.671 153 HB2 PRO 524 HB2 PRO 524 -2.231 7.843 -29.181 154 HB3 PRO 524 HB3 PRO 524 -0.777 6.830 -28.947 155 HG2 PRO 524 HG2 PRO 524 -2.688 6.834 -31.296 156 HG3 PRO 524 HG3 PRO 524 -0.898 6.883 -31.326 157 HD2 PRO 524 HD2 PRO 524 -2.321 4.572 -31.639 158 HD3 PRO 524 HD3 PRO 524 -0.734 4.593 -30.806 159 H PHE 525 H PHE 525 -4.495 5.228 -30.378 160 HA PHE 525 HA PHE 525 -6.507 6.978 -29.077 161 HB2 PHE 525 HB2 PHE 525 -6.639 5.402 -31.687 162 HB3 PHE 525 HB3 PHE 525 -7.826 6.564 -31.119 163 HD1 PHE 525 HD2 PHE 525 -7.022 9.010 -30.690 164 HD2 PHE 525 HD1 PHE 525 -4.848 6.142 -33.063 165 HE1 PHE 525 HE2 PHE 525 -5.770 10.858 -31.780 166 HE2 PHE 525 HE1 PHE 525 -3.586 7.991 -34.137 167 HZ PHE 525 HZ PHE 525 -4.050 10.351 -33.505 168 H PHE 526 H PHE 526 -8.455 6.265 -28.253 169 HA PHE 526 HA PHE 526 -8.931 3.313 -28.195 170 HB2 PHE 526 HB2 PHE 526 -8.123 3.853 -25.993 171 HB3 PHE 526 HB3 PHE 526 -9.092 5.312 -25.914 172 HD1 PHE 526 HD1 PHE 526 -9.157 1.631 -25.588 173 HD2 PHE 526 HD2 PHE 526 -11.512 5.233 -25.391 174 HE1 PHE 526 HE1 PHE 526 -10.968 0.384 -24.445 175 HE2 PHE 526 HE2 PHE 526 -13.312 3.991 -24.233 176 HZ PHE 526 HZ PHE 526 -13.041 1.563 -23.752 177 H CYS 527 H CYS 527 -10.934 2.719 -28.805 178 HA CYS 527 HA CYS 527 -12.902 4.885 -29.386 179 HB2 CYS 527 HB2 CYS 527 -12.284 3.322 -31.213 180 HB3 CYS 527 HB3 CYS 527 -12.837 1.962 -30.235 181 H ARG 528 H ARG 528 -14.741 5.126 -28.239 182 HA ARG 528 HA ARG 528 -15.050 3.454 -25.833 183 HB2 ARG 528 HB2 ARG 528 -16.833 5.233 -25.292 184 HB3 ARG 528 HB3 ARG 528 -15.169 5.749 -25.415 185 HG2 ARG 528 HG2 ARG 528 -16.614 7.411 -26.386 186 HG3 ARG 528 HG3 ARG 528 -15.542 6.746 -27.607 187 HD2 ARG 528 HD2 ARG 528 -17.445 5.326 -28.434 188 HD3 ARG 528 HD3 ARG 528 -18.502 6.106 -27.241 189 HE ARG 528 HE ARG 528 -17.250 8.124 -28.788 190 HH11 ARG 528 HH21 ARG 528 -19.565 5.491 -29.389 191 HH12 ARG 528 HH22 ARG 528 -20.229 6.293 -30.776 192 HH21 ARG 528 HH11 ARG 528 -18.150 9.061 -30.587 193 HH22 ARG 528 HH12 ARG 528 -19.430 8.264 -31.471 194 H ASP 529 H ASP 529 -16.256 3.130 -28.946 195 HA ASP 529 HA ASP 529 -19.052 2.587 -28.365 196 HB2 ASP 529 HB2 ASP 529 -18.003 3.263 -30.634 197 HB3 ASP 529 HB3 ASP 529 -17.494 1.564 -30.767 198 H GLN 530 H GLN 530 -20.123 0.569 -28.287 199 HA GLN 530 HA GLN 530 -18.753 -1.516 -26.869 200 HB2 GLN 530 HB2 GLN 530 -20.852 -2.744 -27.064 201 HB3 GLN 530 HB3 GLN 530 -21.159 -1.070 -26.624 202 HG2 GLN 530 HG2 GLN 530 -21.798 -0.579 -29.005 203 HG3 GLN 530 HG3 GLN 530 -21.540 -2.281 -29.404 204 HE21 GLN 530 HE21 GLN 530 -22.949 -3.919 -28.207 205 HE22 GLN 530 HE22 GLN 530 -24.553 -3.379 -27.737 206 H VAL 531 H VAL 531 -19.221 -0.888 -30.316 207 HA VAL 531 HA VAL 531 -18.785 -3.601 -31.273 208 HB VAL 531 HB VAL 531 -18.457 -0.846 -32.487 209 HG11 VAL 531 HG11 VAL 531 -17.969 -3.463 -33.933 210 HG12 VAL 531 HG12 VAL 531 -18.278 -1.899 -34.719 211 HG13 VAL 531 HG13 VAL 531 -16.838 -2.097 -33.716 212 HG21 VAL 531 HG21 VAL 531 -20.427 -3.073 -33.145 213 HG22 VAL 531 HG22 VAL 531 -20.798 -1.626 -32.180 214 HG23 VAL 531 HG23 VAL 531 -20.364 -1.465 -33.897 215 H CYS 532 H CYS 532 -16.629 -0.887 -30.415 216 HA CYS 532 HA CYS 532 -14.252 -2.488 -31.248 217 HB2 CYS 532 HB2 CYS 532 -14.627 0.468 -30.645 218 HB3 CYS 532 HB3 CYS 532 -13.073 -0.276 -31.065 219 H PHE 533 H PHE 533 -14.419 0.115 -28.790 220 HA PHE 533 HA PHE 533 -13.697 0.216 -26.605 221 HB2 PHE 533 HB2 PHE 533 -15.611 -1.662 -26.643 222 HB3 PHE 533 HB3 PHE 533 -14.300 -2.706 -26.144 223 HD1 PHE 533 HD1 PHE 533 -15.611 0.792 -25.392 224 HD2 PHE 533 HD2 PHE 533 -14.122 -2.939 -23.786 225 HE1 PHE 533 HE1 PHE 533 -16.022 1.608 -23.093 226 HE2 PHE 533 HE2 PHE 533 -14.514 -2.095 -21.486 227 HZ PHE 533 HZ PHE 533 -15.469 0.176 -21.135 228 H LYS 534 H LYS 534 -11.687 -0.400 -28.609 229 HA LYS 534 HA LYS 534 -9.643 -1.707 -26.870 230 HB2 LYS 534 HB2 LYS 534 -10.359 -2.508 -29.726 231 HB3 LYS 534 HB3 LYS 534 -8.773 -2.867 -29.036 232 HG2 LYS 534 HG2 LYS 534 -9.781 -4.105 -27.182 233 HG3 LYS 534 HG3 LYS 534 -11.400 -3.801 -27.804 234 HD2 LYS 534 HD2 LYS 534 -9.241 -5.305 -29.327 235 HD3 LYS 534 HD3 LYS 534 -10.441 -6.085 -28.310 236 HE2 LYS 534 HE2 LYS 534 -11.130 -4.345 -30.725 237 HE3 LYS 534 HE3 LYS 534 -10.968 -6.100 -30.768 238 HZ1 LYS 534 HZ1 LYS 534 -13.269 -5.525 -30.489 239 HZ2 LYS 534 HZ2 LYS 534 -12.974 -4.611 -29.167 240 HZ3 LYS 534 HZ3 LYS 534 -12.762 -6.239 -29.110 241 H TYR 535 H TYR 535 -7.379 -1.491 -28.095 242 HA TYR 535 HA TYR 535 -7.032 1.406 -28.576 243 HB2 TYR 535 HB2 TYR 535 -5.127 -0.920 -28.127 244 HB3 TYR 535 HB3 TYR 535 -4.566 0.655 -28.638 245 HD1 TYR 535 HD2 TYR 535 -7.342 0.725 -26.211 246 HD2 TYR 535 HD1 TYR 535 -3.072 0.575 -26.703 247 HE1 TYR 535 HE2 TYR 535 -7.063 1.441 -23.868 248 HE2 TYR 535 HE1 TYR 535 -2.773 1.195 -24.333 249 HH TYR 535 HH TYR 535 -5.560 1.901 -22.167 250 H PHE 536 H PHE 536 -6.113 2.346 -30.422 251 HA PHE 536 HA PHE 536 -5.533 0.598 -32.758 252 HB2 PHE 536 HB2 PHE 536 -7.500 2.912 -32.822 253 HB3 PHE 536 HB3 PHE 536 -6.967 2.000 -34.221 254 HD1 PHE 536 HD1 PHE 536 -7.619 -0.409 -34.479 255 HD2 PHE 536 HD2 PHE 536 -9.258 2.089 -31.380 256 HE1 PHE 536 HE1 PHE 536 -9.435 -2.070 -34.103 257 HE2 PHE 536 HE2 PHE 536 -11.056 0.441 -31.000 258 HZ PHE 536 HZ PHE 536 -11.160 -1.650 -32.360 259 H CYS 537 H CYS 537 -4.211 1.556 -34.351 260 HA CYS 537 HA CYS 537 -2.732 4.002 -33.553 261 HB2 CYS 537 HB2 CYS 537 -2.349 2.434 -36.124 262 HB3 CYS 537 HB3 CYS 537 -1.201 3.464 -35.280 263 H ARG 538 H ARG 538 -2.268 5.538 -35.570 264 HA ARG 538 HA ARG 538 -4.698 6.874 -36.208 265 HB2 ARG 538 HB2 ARG 538 -2.403 7.888 -36.240 266 HB3 ARG 538 HB3 ARG 538 -2.039 6.999 -37.717 267 HG2 ARG 538 HG2 ARG 538 -3.972 8.212 -38.843 268 HG3 ARG 538 HG3 ARG 538 -4.218 9.107 -37.337 269 HD2 ARG 538 HD2 ARG 538 -2.957 10.498 -38.830 270 HD3 ARG 538 HD3 ARG 538 -1.869 9.977 -37.532 271 HE ARG 538 HE ARG 538 -1.745 8.182 -39.797 272 HH11 ARG 538 HH11 ARG 538 -0.591 11.384 -38.829 273 HH12 ARG 538 HH12 ARG 538 0.776 11.311 -39.899 274 HH21 ARG 538 HH21 ARG 538 0.041 8.143 -41.135 275 HH22 ARG 538 HH22 ARG 538 1.124 9.501 -41.191 276 H SER 539 H SER 539 -2.619 4.881 -38.404 277 HA SER 539 HA SER 539 -4.484 4.987 -40.596 278 HB2 SER 539 HB2 SER 539 -2.275 2.946 -40.091 279 HB3 SER 539 HB3 SER 539 -3.022 3.344 -41.649 280 HG SER 539 HG SER 539 -1.012 4.442 -41.354 281 H CYS 540 H CYS 540 -3.988 2.682 -37.922 282 HA CYS 540 HA CYS 540 -5.678 0.589 -38.972 283 HB2 CYS 540 HB2 CYS 540 -4.927 1.263 -36.107 284 HB3 CYS 540 HB3 CYS 540 -5.629 -0.256 -36.638 285 H TRP 541 H TRP 541 -6.236 3.383 -36.796 286 HA TRP 541 HA TRP 541 -8.962 2.815 -36.149 287 HB2 TRP 541 HB2 TRP 541 -7.645 4.464 -34.914 288 HB3 TRP 541 HB3 TRP 541 -7.401 5.431 -36.355 289 HD1 TRP 541 HD1 TRP 541 -9.620 6.664 -37.363 290 HE1 TRP 541 HE1 TRP 541 -11.751 7.551 -36.220 291 HE3 TRP 541 HE3 TRP 541 -8.955 4.606 -32.742 292 HZ2 TRP 541 HZ2 TRP 541 -13.158 7.087 -33.711 293 HZ3 TRP 541 HZ3 TRP 541 -10.617 4.962 -30.961 294 HH2 TRP 541 HH2 TRP 541 -12.761 6.125 -31.444 295 H HIS 542 H HIS 542 -7.461 4.762 -38.779 296 HA HIS 542 HA HIS 542 -9.849 5.656 -40.008 297 HB2 HIS 542 HB2 HIS 542 -7.594 6.493 -40.573 298 HB3 HIS 542 HB3 HIS 542 -7.166 4.935 -41.279 299 HD2 HIS 542 HD2 HIS 542 -9.480 7.979 -41.903 300 HE1 HIS 542 HE1 HIS 542 -9.269 5.806 -45.559 301 HE2 HIS 542 HE2 HIS 542 -10.135 7.931 -44.452 302 H TRP 543 H TRP 543 -7.937 2.640 -40.574 303 HA TRP 543 HA TRP 543 -9.581 1.586 -42.659 304 HB2 TRP 543 HB2 TRP 543 -7.330 0.743 -42.127 305 HB3 TRP 543 HB3 TRP 543 -7.880 0.161 -40.564 306 HD1 TRP 543 HD1 TRP 543 -7.965 -0.664 -44.261 307 HE1 TRP 543 HE1 TRP 543 -8.843 -3.043 -44.636 308 HE3 TRP 543 HE3 TRP 543 -9.435 -1.758 -39.467 309 HZ2 TRP 543 HZ2 TRP 543 -10.111 -5.118 -43.081 310 HZ3 TRP 543 HZ3 TRP 543 -10.546 -3.915 -38.968 311 HH2 TRP 543 HH2 TRP 543 -10.882 -5.605 -40.755 312 H ARG 544 H ARG 544 -9.705 1.135 -39.077 313 HA ARG 544 HA ARG 544 -11.756 -0.844 -39.080 314 HB2 ARG 544 HB2 ARG 544 -10.122 0.076 -37.209 315 HB3 ARG 544 HB3 ARG 544 -11.441 1.150 -36.804 316 HG2 ARG 544 HG2 ARG 544 -11.414 -1.904 -36.772 317 HG3 ARG 544 HG3 ARG 544 -11.335 -0.817 -35.396 318 HD2 ARG 544 HD2 ARG 544 -13.506 -1.470 -35.248 319 HD3 ARG 544 HD3 ARG 544 -13.684 0.018 -36.166 320 HE ARG 544 HE ARG 544 -14.273 -1.210 -38.068 321 HH11 ARG 544 HH11 ARG 544 -13.250 -3.521 -35.583 322 HH12 ARG 544 HH12 ARG 544 -13.976 -4.867 -36.411 323 HH21 ARG 544 HH21 ARG 544 -15.217 -2.981 -39.048 324 HH22 ARG 544 HH22 ARG 544 -15.048 -4.566 -38.359 325 H HIS 545 H HIS 545 -11.976 2.726 -38.648 326 HA HIS 545 HA HIS 545 -14.895 2.542 -38.346 327 HB2 HIS 545 HB2 HIS 545 -13.004 4.949 -38.351 328 HB3 HIS 545 HB3 HIS 545 -14.719 4.980 -37.898 329 HD1 HIS 545 HD1 HIS 545 -11.363 4.132 -36.420 330 HD2 HIS 545 HD2 HIS 545 -15.401 3.212 -35.801 331 HE1 HIS 545 HE1 HIS 545 -11.506 3.088 -34.091 332 H SER 546 H SER 546 -12.854 2.740 -41.058 333 HA SER 546 HA SER 546 -14.397 4.467 -42.794 334 HB2 SER 546 HB2 SER 546 -12.106 3.723 -43.341 335 HB3 SER 546 HB3 SER 546 -12.676 2.037 -43.426 336 HG SER 546 HG SER 546 -12.499 3.067 -45.504 337 H MET 547 H MET 547 -14.686 1.083 -41.751 338 HA MET 547 HA MET 547 -16.524 0.117 -43.675 339 HB2 MET 547 HB2 MET 547 -16.456 -0.571 -40.703 340 HB3 MET 547 HB3 MET 547 -17.116 -1.562 -42.007 341 HG2 MET 547 HG2 MET 547 -14.190 -0.861 -41.533 342 HG3 MET 547 HG3 MET 547 -14.954 -2.423 -41.313 343 HE1 MET 547 HE1 MET 547 -12.890 -3.431 -42.574 344 HE2 MET 547 HE2 MET 547 -12.393 -2.951 -44.211 345 HE3 MET 547 HE3 MET 547 -12.236 -1.806 -42.864 346 H GLU 548 H GLU 548 -18.683 0.309 -44.000 347 HA GLU 548 HA GLU 548 -20.101 2.530 -42.948 348 HB2 GLU 548 HB2 GLU 548 -21.295 -0.004 -44.177 349 HB3 GLU 548 HB3 GLU 548 -22.050 1.578 -44.042 350 HG2 GLU 548 HG2 GLU 548 -21.391 1.787 -46.182 351 HG3 GLU 548 HG3 GLU 548 -19.888 2.340 -45.460 352 H GLY 549 H GLY 549 -21.707 2.777 -41.390 353 HA2 GLY 549 HA2 GLY 549 -23.252 2.008 -39.746 354 HA3 GLY 549 HA3 GLY 549 -22.472 0.415 -39.752 355 H LEU 550 H LEU 550 -19.780 2.077 -39.602 356 HA LEU 550 HA LEU 550 -19.865 2.481 -36.623 357 HB2 LEU 550 HB2 LEU 550 -17.627 1.592 -38.493 358 HB3 LEU 550 HB3 LEU 550 -17.346 2.163 -36.851 359 HG LEU 550 HG LEU 550 -18.724 0.358 -35.926 360 HD11 LEU 550 HD11 LEU 550 -19.118 -1.686 -37.211 361 HD12 LEU 550 HD12 LEU 550 -18.681 -0.833 -38.721 362 HD13 LEU 550 HD13 LEU 550 -20.123 -0.368 -37.777 363 HD21 LEU 550 HD21 LEU 550 -16.351 0.216 -35.869 364 HD22 LEU 550 HD22 LEU 550 -16.263 -0.236 -37.593 365 HD23 LEU 550 HD23 LEU 550 -16.908 -1.376 -36.399 366 H ARG 551 H ARG 551 -20.313 4.377 -39.124 367 HA ARG 551 HA ARG 551 -18.133 6.258 -39.120 368 HB2 ARG 551 HB2 ARG 551 -21.048 6.639 -39.930 369 HB3 ARG 551 HB3 ARG 551 -19.725 7.725 -40.348 370 HG2 ARG 551 HG2 ARG 551 -19.949 4.812 -41.249 371 HG3 ARG 551 HG3 ARG 551 -20.375 6.227 -42.208 372 HD2 ARG 551 HD2 ARG 551 -18.022 7.022 -42.120 373 HD3 ARG 551 HD3 ARG 551 -17.590 5.636 -41.118 374 HE ARG 551 HE ARG 551 -17.456 4.311 -42.963 375 HH11 ARG 551 HH11 ARG 551 -19.340 7.137 -44.003 376 HH12 ARG 551 HH12 ARG 551 -19.252 6.663 -45.674 377 HH21 ARG 551 HH21 ARG 551 -17.332 3.822 -45.048 378 HH22 ARG 551 HH22 ARG 551 -18.141 4.777 -46.276 379 H HIS 552 H HIS 552 -20.624 5.683 -36.815 380 HA HIS 552 HA HIS 552 -20.786 8.463 -35.847 381 HB2 HIS 552 HB2 HIS 552 -22.397 7.554 -34.238 382 HB3 HIS 552 HB3 HIS 552 -22.783 7.007 -35.864 383 HD2 HIS 552 HD2 HIS 552 -21.903 5.723 -32.421 384 HE1 HIS 552 HE1 HIS 552 -21.690 2.281 -34.902 385 HE2 HIS 552 HE2 HIS 552 -21.669 3.124 -32.481 386 H HIS 553 H HIS 553 -18.426 6.146 -35.535 387 HA HIS 553 HA HIS 553 -17.989 6.210 -32.645 388 HB2 HIS 553 HB2 HIS 553 -16.287 5.250 -34.968 389 HB3 HIS 553 HB3 HIS 553 -15.821 5.086 -33.286 390 HD2 HIS 553 HD2 HIS 553 -19.471 4.274 -34.214 391 HE1 HIS 553 HE1 HIS 553 -17.466 0.573 -33.624 392 HE2 HIS 553 HE2 HIS 553 -19.742 1.667 -33.996 393 H SER 554 H SER 554 -16.335 7.258 -31.497 394 HA SER 554 HA SER 554 -14.487 9.059 -32.921 395 HB2 SER 554 HB2 SER 554 -15.071 11.030 -31.561 396 HB3 SER 554 HB3 SER 554 -16.428 10.527 -32.570 397 HG SER 554 HG SER 554 -16.882 11.085 -30.285 398 HA PRO 555 HA PRO 555 -12.015 7.762 -29.447 399 HB2 PRO 555 HB2 PRO 555 -9.805 9.312 -29.758 400 HB3 PRO 555 HB3 PRO 555 -10.279 8.115 -30.999 401 HG2 PRO 555 HG2 PRO 555 -10.831 11.101 -30.979 402 HG3 PRO 555 HG3 PRO 555 -10.184 10.105 -32.320 403 HD2 PRO 555 HD2 PRO 555 -12.856 10.793 -32.050 404 HD3 PRO 555 HD3 PRO 555 -12.297 9.293 -32.859 405 H LEU 556 H LEU 556 -11.097 8.503 -27.378 406 HA LEU 556 HA LEU 556 -12.647 10.630 -26.137 407 HB2 LEU 556 HB2 LEU 556 -11.547 10.011 -24.117 408 HB3 LEU 556 HB3 LEU 556 -11.855 8.543 -25.005 409 HG LEU 556 HG LEU 556 -9.297 8.952 -25.833 410 HD11 LEU 556 HD11 LEU 556 -9.001 11.067 -24.484 411 HD12 LEU 556 HD12 LEU 556 -7.918 9.776 -23.954 412 HD13 LEU 556 HD13 LEU 556 -9.378 10.157 -23.017 413 HD21 LEU 556 HD21 LEU 556 -10.089 7.752 -23.147 414 HD22 LEU 556 HD22 LEU 556 -8.604 7.395 -24.064 415 HD23 LEU 556 HD23 LEU 556 -10.184 6.950 -24.728 416 H MET 557 H MET 557 -11.736 12.521 -25.057 417 HA MET 557 HA MET 557 -9.125 13.508 -26.069 418 HB2 MET 557 HB2 MET 557 -11.776 14.953 -26.534 419 HB3 MET 557 HB3 MET 557 -10.186 15.689 -26.746 420 HG2 MET 557 HG2 MET 557 -9.629 13.974 -28.461 421 HG3 MET 557 HG3 MET 557 -11.256 13.320 -28.328 422 HE1 MET 557 HE1 MET 557 -13.238 15.730 -28.188 423 HE2 MET 557 HE2 MET 557 -13.541 15.967 -29.918 424 HE3 MET 557 HE3 MET 557 -13.382 14.323 -29.267 425 H ARG 558 H ARG 558 -8.115 14.918 -24.679 426 HA ARG 558 HA ARG 558 -9.340 15.266 -22.010 427 HB2 ARG 558 HB2 ARG 558 -7.023 14.532 -22.128 428 HB3 ARG 558 HB3 ARG 558 -6.571 15.917 -23.129 429 HG2 ARG 558 HG2 ARG 558 -6.926 17.459 -21.309 430 HG3 ARG 558 HG3 ARG 558 -7.667 16.202 -20.301 431 HD2 ARG 558 HD2 ARG 558 -5.532 15.057 -20.062 432 HD3 ARG 558 HD3 ARG 558 -4.796 16.066 -21.308 433 HE ARG 558 HE ARG 558 -4.377 17.695 -19.775 434 HH11 ARG 558 HH11 ARG 558 -6.824 15.625 -18.284 435 HH12 ARG 558 HH12 ARG 558 -6.943 16.620 -16.866 436 HH21 ARG 558 HH21 ARG 558 -4.495 18.881 -17.898 437 HH22 ARG 558 HH22 ARG 558 -5.630 18.458 -16.652 438 H ASN 559 H ASN 559 -10.199 17.122 -21.243 439 HA ASN 559 HA ASN 559 -10.492 19.427 -23.028 440 HB2 ASN 559 HB2 ASN 559 -12.224 18.473 -21.345 441 HB3 ASN 559 HB3 ASN 559 -11.298 19.291 -20.091 442 HD21 ASN 559 HD21 ASN 559 -11.129 21.791 -20.302 443 HD22 ASN 559 HD22 ASN 559 -12.435 22.574 -21.160 444 H GLN 560 H GLN 560 -9.658 21.512 -22.725 445 HA GLN 560 HA GLN 560 -7.024 21.689 -21.568 446 HB2 GLN 560 HB2 GLN 560 -8.944 23.887 -22.502 447 HB3 GLN 560 HB3 GLN 560 -7.253 24.113 -22.087 448 HG2 GLN 560 HG2 GLN 560 -7.234 24.028 -24.411 449 HG3 GLN 560 HG3 GLN 560 -6.644 22.450 -23.916 450 HE21 GLN 560 HE21 GLN 560 -7.281 22.172 -26.369 451 HE22 GLN 560 HE22 GLN 560 -8.928 21.623 -26.641 452 H LYS 561 H LYS 561 -6.277 22.828 -19.754 453 HA LYS 561 HA LYS 561 -6.289 23.607 -17.572 454 HB2 LYS 561 HB2 LYS 561 -9.018 24.796 -18.334 455 HB3 LYS 561 HB3 LYS 561 -8.016 25.258 -16.968 456 HG2 LYS 561 HG2 LYS 561 -6.204 25.973 -18.504 457 HG3 LYS 561 HG3 LYS 561 -7.237 25.573 -19.893 458 HD2 LYS 561 HD2 LYS 561 -8.918 27.232 -19.139 459 HD3 LYS 561 HD3 LYS 561 -7.945 27.577 -17.707 460 HE2 LYS 561 HE2 LYS 561 -7.543 29.343 -19.257 461 HE3 LYS 561 HE3 LYS 561 -6.077 28.366 -19.167 462 HZ1 LYS 561 HZ1 LYS 561 -6.664 28.940 -21.455 463 HZ2 LYS 561 HZ2 LYS 561 -8.112 28.198 -21.328 464 HZ3 LYS 561 HZ3 LYS 561 -6.729 27.321 -21.267 465 H ASN 562 H ASN 562 -7.786 20.956 -18.292 466 HA ASN 562 HA ASN 562 -9.811 20.647 -16.231 467 HB2 ASN 562 HB2 ASN 562 -9.904 19.245 -18.205 468 HB3 ASN 562 HB3 ASN 562 -8.261 18.653 -17.942 469 HD21 ASN 562 HD21 ASN 562 -11.576 18.656 -16.501 470 HD22 ASN 562 HD22 ASN 562 -11.324 17.165 -15.602 471 H ARG 563 H ARG 563 -9.593 20.091 -14.128 472 HA ARG 563 HA ARG 563 -6.872 19.261 -13.155 473 HB2 ARG 563 HB2 ARG 563 -9.034 20.946 -11.807 474 HB3 ARG 563 HB3 ARG 563 -7.613 20.305 -10.967 475 HG2 ARG 563 HG2 ARG 563 -6.104 21.541 -12.449 476 HG3 ARG 563 HG3 ARG 563 -7.473 22.145 -13.399 477 HD2 ARG 563 HD2 ARG 563 -8.347 23.344 -11.418 478 HD3 ARG 563 HD3 ARG 563 -7.029 22.699 -10.439 479 HE ARG 563 HE ARG 563 -5.589 24.262 -11.295 480 HH11 ARG 563 HH11 ARG 563 -8.378 24.247 -13.484 481 HH12 ARG 563 HH12 ARG 563 -7.893 25.732 -14.242 482 HH21 ARG 563 HH21 ARG 563 -5.001 26.129 -12.360 483 HH22 ARG 563 HH22 ARG 563 -5.990 26.759 -13.642 484 H ASP 564 H ASP 564 -10.414 18.967 -12.542 485 HA ASP 564 HA ASP 564 -9.963 16.558 -10.877 486 HB2 ASP 564 HB2 ASP 564 -12.484 18.121 -11.603 487 HB3 ASP 564 HB3 ASP 564 -12.457 16.693 -10.570 488 H SER 565 H SER 565 -10.451 14.489 -11.470 489 HA SER 565 HA SER 565 -10.780 13.896 -14.294 490 HB2 SER 565 HB2 SER 565 -10.961 12.044 -11.878 491 HB3 SER 565 HB3 SER 565 -10.747 11.548 -13.565 492 HG SER 565 HG SER 565 -8.746 11.604 -12.408 493 H SER 566 H SER 566 -12.998 14.361 -11.628 494 HA SER 566 HA SER 566 -15.293 14.084 -11.394 495 HB2 SER 566 HB2 SER 566 -15.154 14.531 -14.418 496 HB3 SER 566 HB3 SER 566 -16.629 14.599 -13.445 497 HG SER 566 HG SER 566 -15.689 16.686 -13.773 Start of MODEL 14 1 H1 GLY 502 H1 GLY 502 -15.305 17.816 -9.894 2 H2 GLY 502 H2 GLY 502 -13.787 18.336 -9.933 3 H3 GLY 502 H3 GLY 502 -14.702 18.617 -8.629 4 HA2 GLY 502 HA2 GLY 502 -13.054 16.951 -8.080 5 HA3 GLY 502 HA3 GLY 502 -14.687 16.260 -8.016 6 HA PRO 503 HA PRO 503 -11.983 13.664 -10.843 7 HB2 PRO 503 HB2 PRO 503 -12.069 11.294 -9.463 8 HB3 PRO 503 HB3 PRO 503 -10.954 12.621 -9.023 9 HG2 PRO 503 HG2 PRO 503 -13.661 11.984 -7.799 10 HG3 PRO 503 HG3 PRO 503 -12.107 12.278 -6.953 11 HD2 PRO 503 HD2 PRO 503 -13.978 14.241 -7.303 12 HD3 PRO 503 HD3 PRO 503 -12.222 14.597 -7.349 13 H VAL 504 H VAL 504 -12.620 11.691 -12.092 14 HA VAL 504 HA VAL 504 -15.464 11.757 -12.772 15 HB VAL 504 HB VAL 504 -14.851 9.970 -14.390 16 HG11 VAL 504 HG11 VAL 504 -12.974 12.368 -14.474 17 HG12 VAL 504 HG12 VAL 504 -13.488 11.370 -15.849 18 HG13 VAL 504 HG13 VAL 504 -14.677 12.357 -14.983 19 HG21 VAL 504 HG21 VAL 504 -12.507 9.347 -14.793 20 HG22 VAL 504 HG22 VAL 504 -11.987 10.244 -13.357 21 HG23 VAL 504 HG23 VAL 504 -13.023 8.808 -13.192 22 H GLN 505 H GLN 505 -16.990 10.074 -12.599 23 HA GLN 505 HA GLN 505 -16.768 8.488 -10.167 24 HB2 GLN 505 HB2 GLN 505 -18.879 9.558 -10.977 25 HB3 GLN 505 HB3 GLN 505 -18.903 8.455 -12.358 26 HG2 GLN 505 HG2 GLN 505 -19.121 6.519 -10.818 27 HG3 GLN 505 HG3 GLN 505 -19.021 7.605 -9.426 28 HE21 GLN 505 HE21 GLN 505 -20.840 9.257 -9.190 29 HE22 GLN 505 HE22 GLN 505 -22.411 8.808 -9.836 30 H ILE 506 H ILE 506 -16.604 7.833 -13.683 31 HA ILE 506 HA ILE 506 -15.802 5.003 -13.062 32 HB ILE 506 HB ILE 506 -17.415 6.015 -15.444 33 HG12 ILE 506 HG12 ILE 506 -18.831 5.920 -13.435 34 HG13 ILE 506 HG13 ILE 506 -19.305 4.759 -14.652 35 HG21 ILE 506 HG21 ILE 506 -16.433 3.206 -14.797 36 HG22 ILE 506 HG22 ILE 506 -17.686 3.573 -16.004 37 HG23 ILE 506 HG23 ILE 506 -16.053 4.194 -16.223 38 HD11 ILE 506 HD11 ILE 506 -17.709 4.054 -12.149 39 HD12 ILE 506 HD12 ILE 506 -19.452 3.836 -12.369 40 HD13 ILE 506 HD13 ILE 506 -18.319 2.911 -13.366 41 H ASP 507 H ASP 507 -14.027 4.206 -14.131 42 HA ASP 507 HA ASP 507 -12.856 5.686 -16.395 43 HB2 ASP 507 HB2 ASP 507 -10.697 6.037 -15.350 44 HB3 ASP 507 HB3 ASP 507 -11.921 6.848 -14.400 45 HA PRO 508 HA PRO 508 -11.782 1.521 -17.430 46 HB2 PRO 508 HB2 PRO 508 -9.971 1.910 -19.448 47 HB3 PRO 508 HB3 PRO 508 -11.692 2.365 -19.601 48 HG2 PRO 508 HG2 PRO 508 -9.351 4.159 -18.888 49 HG3 PRO 508 HG3 PRO 508 -10.638 4.448 -20.100 50 HD2 PRO 508 HD2 PRO 508 -10.733 5.481 -17.563 51 HD3 PRO 508 HD3 PRO 508 -12.212 4.981 -18.442 52 H TYR 509 H TYR 509 -10.300 -0.097 -16.946 53 HA TYR 509 HA TYR 509 -8.031 0.669 -15.234 54 HB2 TYR 509 HB2 TYR 509 -7.856 -1.720 -14.777 55 HB3 TYR 509 HB3 TYR 509 -9.513 -1.186 -14.595 56 HD1 TYR 509 HD2 TYR 509 -11.279 -1.938 -16.150 57 HD2 TYR 509 HD1 TYR 509 -7.194 -3.251 -16.598 58 HE1 TYR 509 HE2 TYR 509 -12.022 -3.710 -17.730 59 HE2 TYR 509 HE1 TYR 509 -7.932 -5.025 -18.172 60 HH TYR 509 HH TYR 509 -9.715 -6.001 -19.255 61 H LEU 510 H LEU 510 -8.418 0.378 -18.544 62 HA LEU 510 HA LEU 510 -6.032 -1.116 -19.250 63 HB2 LEU 510 HB2 LEU 510 -7.837 0.783 -20.832 64 HB3 LEU 510 HB3 LEU 510 -6.449 -0.059 -21.510 65 HG LEU 510 HG LEU 510 -7.506 -2.255 -20.972 66 HD11 LEU 510 HD11 LEU 510 -10.002 -2.294 -20.640 67 HD12 LEU 510 HD12 LEU 510 -9.948 -0.557 -20.270 68 HD13 LEU 510 HD13 LEU 510 -9.124 -1.738 -19.224 69 HD21 LEU 510 HD21 LEU 510 -7.646 -1.227 -23.215 70 HD22 LEU 510 HD22 LEU 510 -9.133 -0.374 -22.743 71 HD23 LEU 510 HD23 LEU 510 -9.110 -2.147 -22.848 72 H GLU 511 H GLU 511 -3.992 -0.428 -19.031 73 HA GLU 511 HA GLU 511 -3.443 2.466 -18.688 74 HB2 GLU 511 HB2 GLU 511 -2.537 0.727 -17.100 75 HB3 GLU 511 HB3 GLU 511 -1.583 0.061 -18.418 76 HG2 GLU 511 HG2 GLU 511 -0.150 1.444 -17.100 77 HG3 GLU 511 HG3 GLU 511 -0.396 2.271 -18.630 78 H ASP 512 H ASP 512 -2.239 -0.307 -20.670 79 HA ASP 512 HA ASP 512 -1.883 1.401 -23.012 80 HB2 ASP 512 HB2 ASP 512 0.187 1.935 -21.724 81 HB3 ASP 512 HB3 ASP 512 0.580 0.227 -21.625 82 H SER 513 H SER 513 -3.155 -0.036 -24.158 83 HA SER 513 HA SER 513 -2.434 -2.921 -24.111 84 HB2 SER 513 HB2 SER 513 -4.862 -1.442 -25.205 85 HB3 SER 513 HB3 SER 513 -4.614 -3.190 -25.320 86 HG SER 513 HG SER 513 -5.870 -2.730 -23.497 87 H LEU 514 H LEU 514 -2.090 -4.143 -26.007 88 HA LEU 514 HA LEU 514 -0.718 -2.787 -28.177 89 HB2 LEU 514 HB2 LEU 514 -0.195 -5.097 -27.301 90 HB3 LEU 514 HB3 LEU 514 -1.725 -5.650 -27.963 91 HG LEU 514 HG LEU 514 -0.877 -5.077 -30.269 92 HD11 LEU 514 HD11 LEU 514 1.566 -4.751 -30.555 93 HD12 LEU 514 HD12 LEU 514 1.765 -4.642 -28.795 94 HD13 LEU 514 HD13 LEU 514 0.845 -3.402 -29.668 95 HD21 LEU 514 HD21 LEU 514 0.782 -7.019 -28.600 96 HD22 LEU 514 HD22 LEU 514 0.639 -7.042 -30.367 97 HD23 LEU 514 HD23 LEU 514 -0.784 -7.363 -29.368 98 H CYS 515 H CYS 515 -1.405 -2.421 -30.303 99 HA CYS 515 HA CYS 515 -4.203 -1.964 -30.762 100 HB2 CYS 515 HB2 CYS 515 -2.418 -0.745 -31.949 101 HB3 CYS 515 HB3 CYS 515 -1.898 -2.249 -32.717 102 H HIS 516 H HIS 516 -5.798 -3.221 -31.559 103 HA HIS 516 HA HIS 516 -5.419 -6.068 -31.615 104 HB2 HIS 516 HB2 HIS 516 -7.492 -4.915 -30.904 105 HB3 HIS 516 HB3 HIS 516 -7.778 -4.375 -32.558 106 HD2 HIS 516 HD2 HIS 516 -9.003 -6.047 -34.176 107 HE1 HIS 516 HE1 HIS 516 -9.191 -9.428 -31.598 108 HE2 HIS 516 HE2 HIS 516 -9.964 -8.470 -33.828 109 H ILE 517 H ILE 517 -5.440 -3.607 -34.170 110 HA ILE 517 HA ILE 517 -6.022 -5.459 -36.340 111 HB ILE 517 HB ILE 517 -4.925 -2.608 -36.361 112 HG12 ILE 517 HG12 ILE 517 -7.108 -2.623 -35.359 113 HG13 ILE 517 HG13 ILE 517 -7.220 -1.939 -36.970 114 HG21 ILE 517 HG21 ILE 517 -5.749 -2.539 -38.732 115 HG22 ILE 517 HG22 ILE 517 -4.350 -3.582 -38.488 116 HG23 ILE 517 HG23 ILE 517 -5.964 -4.302 -38.665 117 HD11 ILE 517 HD11 ILE 517 -8.136 -4.713 -36.101 118 HD12 ILE 517 HD12 ILE 517 -9.140 -3.338 -36.580 119 HD13 ILE 517 HD13 ILE 517 -8.130 -4.150 -37.789 120 H CYS 518 H CYS 518 -3.057 -3.454 -35.763 121 HA CYS 518 HA CYS 518 -1.543 -5.137 -37.599 122 HB2 CYS 518 HB2 CYS 518 0.313 -3.599 -37.066 123 HB3 CYS 518 HB3 CYS 518 -1.154 -2.764 -37.564 124 H SER 519 H SER 519 -1.885 -4.903 -34.081 125 HA SER 519 HA SER 519 -1.008 -6.157 -32.341 126 HB2 SER 519 HB2 SER 519 -0.398 -8.226 -34.518 127 HB3 SER 519 HB3 SER 519 -0.508 -8.512 -32.785 128 HG SER 519 HG SER 519 -2.623 -7.696 -34.517 129 H SER 520 H SER 520 0.856 -4.361 -33.985 130 HA SER 520 HA SER 520 3.453 -5.562 -33.056 131 HB2 SER 520 HB2 SER 520 4.510 -4.564 -35.062 132 HB3 SER 520 HB3 SER 520 3.267 -5.747 -35.489 133 HG SER 520 HG SER 520 3.142 -3.788 -36.738 134 H GLN 521 H GLN 521 1.294 -3.071 -32.537 135 HA GLN 521 HA GLN 521 3.294 -1.368 -31.241 136 HB2 GLN 521 HB2 GLN 521 3.349 -0.654 -33.663 137 HB3 GLN 521 HB3 GLN 521 1.635 -0.288 -33.566 138 HG2 GLN 521 HG2 GLN 521 2.133 1.487 -31.874 139 HG3 GLN 521 HG3 GLN 521 3.859 1.107 -32.024 140 HE21 GLN 521 HE21 GLN 521 4.775 1.294 -34.369 141 HE22 GLN 521 HE22 GLN 521 4.117 2.616 -35.320 142 HA PRO 522 HA PRO 522 -0.417 -0.695 -28.807 143 HB2 PRO 522 HB2 PRO 522 0.474 1.259 -27.114 144 HB3 PRO 522 HB3 PRO 522 1.039 -0.433 -27.017 145 HG2 PRO 522 HG2 PRO 522 2.418 1.913 -28.357 146 HG3 PRO 522 HG3 PRO 522 3.125 0.698 -27.247 147 HD2 PRO 522 HD2 PRO 522 3.329 0.513 -29.963 148 HD3 PRO 522 HD3 PRO 522 3.194 -0.938 -28.927 149 H GLY 523 H GLY 523 -2.226 0.559 -29.075 150 HA2 GLY 523 HA2 GLY 523 -2.020 2.762 -31.006 151 HA3 GLY 523 HA3 GLY 523 -3.503 2.025 -30.387 152 HA PRO 524 HA PRO 524 -2.251 5.895 -27.778 153 HB2 PRO 524 HB2 PRO 524 -2.210 8.117 -29.374 154 HB3 PRO 524 HB3 PRO 524 -0.774 7.078 -29.139 155 HG2 PRO 524 HG2 PRO 524 -2.741 7.045 -31.442 156 HG3 PRO 524 HG3 PRO 524 -0.952 7.045 -31.516 157 HD2 PRO 524 HD2 PRO 524 -2.488 4.774 -31.686 158 HD3 PRO 524 HD3 PRO 524 -0.841 4.762 -30.972 159 H PHE 525 H PHE 525 -4.548 5.233 -30.322 160 HA PHE 525 HA PHE 525 -6.587 7.032 -29.083 161 HB2 PHE 525 HB2 PHE 525 -6.703 5.513 -31.721 162 HB3 PHE 525 HB3 PHE 525 -7.875 6.680 -31.136 163 HD1 PHE 525 HD2 PHE 525 -6.930 9.113 -30.616 164 HD2 PHE 525 HD1 PHE 525 -5.030 6.237 -33.209 165 HE1 PHE 525 HE2 PHE 525 -5.686 10.945 -31.742 166 HE2 PHE 525 HE1 PHE 525 -3.775 8.070 -34.317 167 HZ PHE 525 HZ PHE 525 -4.104 10.425 -33.590 168 H PHE 526 H PHE 526 -8.529 6.220 -28.321 169 HA PHE 526 HA PHE 526 -8.907 3.259 -28.384 170 HB2 PHE 526 HB2 PHE 526 -8.097 3.678 -26.164 171 HB3 PHE 526 HB3 PHE 526 -9.076 5.121 -25.991 172 HD1 PHE 526 HD2 PHE 526 -9.170 1.418 -26.040 173 HD2 PHE 526 HD1 PHE 526 -11.429 5.003 -25.310 174 HE1 PHE 526 HE2 PHE 526 -10.924 0.075 -24.907 175 HE2 PHE 526 HE1 PHE 526 -13.185 3.670 -24.186 176 HZ PHE 526 HZ PHE 526 -12.927 1.203 -23.967 177 H CYS 527 H CYS 527 -10.911 2.638 -28.971 178 HA CYS 527 HA CYS 527 -12.921 4.788 -29.454 179 HB2 CYS 527 HB2 CYS 527 -12.291 3.293 -31.340 180 HB3 CYS 527 HB3 CYS 527 -12.827 1.895 -30.406 181 H ARG 528 H ARG 528 -14.640 5.022 -28.155 182 HA ARG 528 HA ARG 528 -14.925 3.185 -25.878 183 HB2 ARG 528 HB2 ARG 528 -16.643 4.945 -25.148 184 HB3 ARG 528 HB3 ARG 528 -14.985 5.462 -25.320 185 HG2 ARG 528 HG2 ARG 528 -16.521 7.164 -26.106 186 HG3 ARG 528 HG3 ARG 528 -15.441 6.634 -27.385 187 HD2 ARG 528 HD2 ARG 528 -17.261 5.299 -28.386 188 HD3 ARG 528 HD3 ARG 528 -18.359 5.791 -27.077 189 HE ARG 528 HE ARG 528 -17.468 8.172 -28.116 190 HH11 ARG 528 HH11 ARG 528 -19.089 5.390 -29.633 191 HH12 ARG 528 HH12 ARG 528 -19.699 6.375 -30.930 192 HH21 ARG 528 HH21 ARG 528 -18.385 9.350 -29.816 193 HH22 ARG 528 HH22 ARG 528 -19.260 8.512 -31.070 194 H ASP 529 H ASP 529 -16.202 3.028 -28.952 195 HA ASP 529 HA ASP 529 -19.006 2.575 -28.358 196 HB2 ASP 529 HB2 ASP 529 -17.965 3.288 -30.611 197 HB3 ASP 529 HB3 ASP 529 -17.510 1.579 -30.809 198 H GLN 530 H GLN 530 -20.170 0.587 -28.432 199 HA GLN 530 HA GLN 530 -18.901 -1.607 -27.074 200 HB2 GLN 530 HB2 GLN 530 -21.047 -2.737 -27.339 201 HB3 GLN 530 HB3 GLN 530 -21.288 -1.071 -26.831 202 HG2 GLN 530 HG2 GLN 530 -21.873 -0.458 -29.203 203 HG3 GLN 530 HG3 GLN 530 -21.700 -2.157 -29.656 204 HE21 GLN 530 HE21 GLN 530 -23.203 -3.758 -28.522 205 HE22 GLN 530 HE22 GLN 530 -24.781 -3.150 -28.046 206 H VAL 531 H VAL 531 -19.330 -0.820 -30.500 207 HA VAL 531 HA VAL 531 -18.983 -3.510 -31.557 208 HB VAL 531 HB VAL 531 -18.567 -0.728 -32.667 209 HG11 VAL 531 HG11 VAL 531 -18.411 -1.690 -34.945 210 HG12 VAL 531 HG12 VAL 531 -16.988 -1.993 -33.946 211 HG13 VAL 531 HG13 VAL 531 -18.176 -3.298 -34.223 212 HG21 VAL 531 HG21 VAL 531 -20.485 -1.219 -34.107 213 HG22 VAL 531 HG22 VAL 531 -20.616 -2.850 -33.411 214 HG23 VAL 531 HG23 VAL 531 -20.931 -1.424 -32.397 215 H CYS 532 H CYS 532 -16.738 -0.894 -30.615 216 HA CYS 532 HA CYS 532 -14.416 -2.551 -31.495 217 HB2 CYS 532 HB2 CYS 532 -14.680 0.404 -30.820 218 HB3 CYS 532 HB3 CYS 532 -13.160 -0.388 -31.266 219 H PHE 533 H PHE 533 -14.538 -0.005 -28.965 220 HA PHE 533 HA PHE 533 -13.777 0.033 -26.791 221 HB2 PHE 533 HB2 PHE 533 -15.692 -1.819 -26.796 222 HB3 PHE 533 HB3 PHE 533 -14.377 -2.912 -26.426 223 HD1 PHE 533 HD2 PHE 533 -15.597 0.552 -25.422 224 HD2 PHE 533 HD1 PHE 533 -14.026 -3.256 -24.101 225 HE1 PHE 533 HE2 PHE 533 -15.841 1.260 -23.062 226 HE2 PHE 533 HE1 PHE 533 -14.248 -2.519 -21.741 227 HZ PHE 533 HZ PHE 533 -15.161 -0.264 -21.217 228 H LYS 534 H LYS 534 -11.800 -0.386 -28.791 229 HA LYS 534 HA LYS 534 -9.739 -1.925 -27.266 230 HB2 LYS 534 HB2 LYS 534 -10.523 -2.277 -30.184 231 HB3 LYS 534 HB3 LYS 534 -8.936 -2.772 -29.602 232 HG2 LYS 534 HG2 LYS 534 -9.833 -4.417 -28.138 233 HG3 LYS 534 HG3 LYS 534 -11.490 -3.833 -28.338 234 HD2 LYS 534 HD2 LYS 534 -11.522 -4.462 -30.681 235 HD3 LYS 534 HD3 LYS 534 -9.845 -4.994 -30.615 236 HE2 LYS 534 HE2 LYS 534 -12.102 -6.187 -28.940 237 HE3 LYS 534 HE3 LYS 534 -11.597 -6.827 -30.506 238 HZ1 LYS 534 HZ1 LYS 534 -9.844 -6.657 -28.119 239 HZ2 LYS 534 HZ2 LYS 534 -9.395 -7.238 -29.588 240 HZ3 LYS 534 HZ3 LYS 534 -10.527 -8.019 -28.704 241 H TYR 535 H TYR 535 -7.491 -1.540 -28.310 242 HA TYR 535 HA TYR 535 -7.147 1.385 -28.691 243 HB2 TYR 535 HB2 TYR 535 -5.280 -0.934 -28.070 244 HB3 TYR 535 HB3 TYR 535 -4.657 0.602 -28.634 245 HD1 TYR 535 HD2 TYR 535 -7.488 0.117 -26.171 246 HD2 TYR 535 HD1 TYR 535 -3.387 1.258 -26.781 247 HE1 TYR 535 HE2 TYR 535 -7.461 1.144 -23.942 248 HE2 TYR 535 HE1 TYR 535 -3.312 2.224 -24.509 249 HH TYR 535 HH TYR 535 -6.184 2.261 -22.346 250 H PHE 536 H PHE 536 -6.171 2.338 -30.502 251 HA PHE 536 HA PHE 536 -5.482 0.585 -32.809 252 HB2 PHE 536 HB2 PHE 536 -7.489 2.864 -32.942 253 HB3 PHE 536 HB3 PHE 536 -6.898 1.950 -34.315 254 HD1 PHE 536 HD1 PHE 536 -7.474 -0.504 -34.536 255 HD2 PHE 536 HD2 PHE 536 -9.318 2.054 -31.603 256 HE1 PHE 536 HE1 PHE 536 -9.287 -2.180 -34.213 257 HE2 PHE 536 HE2 PHE 536 -11.120 0.395 -31.287 258 HZ PHE 536 HZ PHE 536 -11.114 -1.733 -32.589 259 H CYS 537 H CYS 537 -4.029 1.471 -34.264 260 HA CYS 537 HA CYS 537 -2.641 3.967 -33.507 261 HB2 CYS 537 HB2 CYS 537 -2.161 2.360 -36.034 262 HB3 CYS 537 HB3 CYS 537 -1.044 3.396 -35.154 263 H ARG 538 H ARG 538 -2.125 5.473 -35.532 264 HA ARG 538 HA ARG 538 -4.531 6.794 -36.248 265 HB2 ARG 538 HB2 ARG 538 -2.227 7.784 -36.254 266 HB3 ARG 538 HB3 ARG 538 -1.855 6.899 -37.735 267 HG2 ARG 538 HG2 ARG 538 -3.679 8.118 -38.916 268 HG3 ARG 538 HG3 ARG 538 -4.089 8.961 -37.406 269 HD2 ARG 538 HD2 ARG 538 -1.829 9.974 -37.361 270 HD3 ARG 538 HD3 ARG 538 -1.416 9.120 -38.864 271 HE ARG 538 HE ARG 538 -3.800 10.616 -39.286 272 HH11 ARG 538 HH21 ARG 538 -0.350 11.249 -38.812 273 HH12 ARG 538 HH22 ARG 538 -0.409 12.742 -39.702 274 HH21 ARG 538 HH11 ARG 538 -3.805 12.551 -40.422 275 HH22 ARG 538 HH12 ARG 538 -2.338 13.465 -40.599 276 H SER 539 H SER 539 -2.449 4.697 -38.343 277 HA SER 539 HA SER 539 -4.267 4.767 -40.583 278 HB2 SER 539 HB2 SER 539 -2.143 2.675 -39.953 279 HB3 SER 539 HB3 SER 539 -2.820 3.051 -41.544 280 HG SER 539 HG SER 539 -1.777 5.052 -41.494 281 H CYS 540 H CYS 540 -3.857 2.545 -37.821 282 HA CYS 540 HA CYS 540 -5.578 0.458 -38.836 283 HB2 CYS 540 HB2 CYS 540 -4.840 1.159 -35.976 284 HB3 CYS 540 HB3 CYS 540 -5.513 -0.373 -36.512 285 H TRP 541 H TRP 541 -6.105 3.373 -36.843 286 HA TRP 541 HA TRP 541 -8.836 2.831 -36.124 287 HB2 TRP 541 HB2 TRP 541 -7.496 4.514 -34.954 288 HB3 TRP 541 HB3 TRP 541 -7.263 5.431 -36.433 289 HD1 TRP 541 HD1 TRP 541 -9.444 6.666 -37.450 290 HE1 TRP 541 HE1 TRP 541 -11.621 7.526 -36.374 291 HE3 TRP 541 HE3 TRP 541 -8.898 4.618 -32.807 292 HZ2 TRP 541 HZ2 TRP 541 -13.119 7.002 -33.935 293 HZ3 TRP 541 HZ3 TRP 541 -10.640 4.926 -31.088 294 HH2 TRP 541 HH2 TRP 541 -12.792 6.034 -31.655 295 H HIS 542 H HIS 542 -7.309 4.632 -38.839 296 HA HIS 542 HA HIS 542 -9.684 5.529 -40.102 297 HB2 HIS 542 HB2 HIS 542 -7.420 6.306 -40.699 298 HB3 HIS 542 HB3 HIS 542 -7.010 4.709 -41.327 299 HD2 HIS 542 HD2 HIS 542 -9.338 7.717 -42.107 300 HE1 HIS 542 HE1 HIS 542 -8.982 5.436 -45.685 301 HE2 HIS 542 HE2 HIS 542 -9.919 7.578 -44.669 302 H TRP 543 H TRP 543 -7.884 2.421 -40.435 303 HA TRP 543 HA TRP 543 -9.587 1.321 -42.485 304 HB2 TRP 543 HB2 TRP 543 -7.311 0.484 -42.003 305 HB3 TRP 543 HB3 TRP 543 -7.818 -0.057 -40.408 306 HD1 TRP 543 HD1 TRP 543 -8.052 -0.939 -44.089 307 HE1 TRP 543 HE1 TRP 543 -9.053 -3.276 -44.412 308 HE3 TRP 543 HE3 TRP 543 -9.370 -1.946 -39.231 309 HZ2 TRP 543 HZ2 TRP 543 -10.400 -5.260 -42.804 310 HZ3 TRP 543 HZ3 TRP 543 -10.587 -4.033 -38.679 311 HH2 TRP 543 HH2 TRP 543 -11.106 -5.695 -40.449 312 H ARG 544 H ARG 544 -9.515 0.934 -38.889 313 HA ARG 544 HA ARG 544 -11.559 -0.989 -38.651 314 HB2 ARG 544 HB2 ARG 544 -10.098 -0.345 -36.800 315 HB3 ARG 544 HB3 ARG 544 -10.761 1.280 -36.782 316 HG2 ARG 544 HG2 ARG 544 -11.628 0.085 -34.924 317 HG3 ARG 544 HG3 ARG 544 -12.963 0.386 -36.014 318 HD2 ARG 544 HD2 ARG 544 -11.439 -2.253 -35.940 319 HD3 ARG 544 HD3 ARG 544 -12.835 -1.913 -34.904 320 HE ARG 544 HE ARG 544 -13.706 -1.315 -37.476 321 HH11 ARG 544 HH11 ARG 544 -12.601 -4.264 -35.852 322 HH12 ARG 544 HH12 ARG 544 -13.503 -5.288 -36.926 323 HH21 ARG 544 HH21 ARG 544 -14.807 -2.676 -38.819 324 HH22 ARG 544 HH22 ARG 544 -14.753 -4.394 -38.580 325 H HIS 545 H HIS 545 -11.841 2.588 -38.717 326 HA HIS 545 HA HIS 545 -14.798 2.355 -38.523 327 HB2 HIS 545 HB2 HIS 545 -12.984 4.826 -38.525 328 HB3 HIS 545 HB3 HIS 545 -14.714 4.796 -38.146 329 HD1 HIS 545 HD1 HIS 545 -11.374 4.140 -36.537 330 HD2 HIS 545 HD2 HIS 545 -15.408 3.156 -35.954 331 HE1 HIS 545 HE1 HIS 545 -11.543 3.176 -34.174 332 H SER 546 H SER 546 -12.855 1.923 -41.061 333 HA SER 546 HA SER 546 -13.828 3.817 -43.035 334 HB2 SER 546 HB2 SER 546 -11.741 2.394 -43.252 335 HB3 SER 546 HB3 SER 546 -12.792 0.984 -43.463 336 HG SER 546 HG SER 546 -12.096 1.912 -45.474 337 H MET 547 H MET 547 -14.957 0.693 -41.763 338 HA MET 547 HA MET 547 -16.930 0.152 -43.786 339 HB2 MET 547 HB2 MET 547 -16.825 -0.718 -40.858 340 HB3 MET 547 HB3 MET 547 -17.855 -1.425 -42.110 341 HG2 MET 547 HG2 MET 547 -15.828 -2.096 -43.391 342 HG3 MET 547 HG3 MET 547 -14.806 -1.428 -42.117 343 HE1 MET 547 HE1 MET 547 -13.416 -3.529 -41.716 344 HE2 MET 547 HE2 MET 547 -14.097 -5.163 -41.600 345 HE3 MET 547 HE3 MET 547 -14.254 -4.246 -43.111 346 H GLU 548 H GLU 548 -19.149 0.535 -43.834 347 HA GLU 548 HA GLU 548 -20.062 2.973 -42.529 348 HB2 GLU 548 HB2 GLU 548 -21.433 0.925 -44.319 349 HB3 GLU 548 HB3 GLU 548 -22.251 2.357 -43.691 350 HG2 GLU 548 HG2 GLU 548 -19.734 2.449 -45.414 351 HG3 GLU 548 HG3 GLU 548 -21.378 2.632 -46.013 352 H GLY 549 H GLY 549 -21.991 3.150 -41.196 353 HA2 GLY 549 HA2 GLY 549 -23.534 2.287 -39.583 354 HA3 GLY 549 HA3 GLY 549 -22.721 0.710 -39.647 355 H LEU 550 H LEU 550 -20.093 2.496 -39.507 356 HA LEU 550 HA LEU 550 -20.101 2.784 -36.518 357 HB2 LEU 550 HB2 LEU 550 -17.854 2.140 -38.487 358 HB3 LEU 550 HB3 LEU 550 -17.584 2.619 -36.815 359 HG LEU 550 HG LEU 550 -18.820 0.667 -35.999 360 HD11 LEU 550 HD11 LEU 550 -20.223 -0.032 -37.828 361 HD12 LEU 550 HD12 LEU 550 -19.109 -1.312 -37.409 362 HD13 LEU 550 HD13 LEU 550 -18.796 -0.321 -38.864 363 HD21 LEU 550 HD21 LEU 550 -16.375 0.217 -37.742 364 HD22 LEU 550 HD22 LEU 550 -16.952 -0.926 -36.515 365 HD23 LEU 550 HD23 LEU 550 -16.420 0.678 -36.017 366 H ARG 551 H ARG 551 -20.856 4.752 -38.828 367 HA ARG 551 HA ARG 551 -18.859 6.782 -39.034 368 HB2 ARG 551 HB2 ARG 551 -21.888 6.923 -39.248 369 HB3 ARG 551 HB3 ARG 551 -20.834 8.253 -39.694 370 HG2 ARG 551 HG2 ARG 551 -20.479 5.542 -41.026 371 HG3 ARG 551 HG3 ARG 551 -21.781 6.618 -41.509 372 HD2 ARG 551 HD2 ARG 551 -19.890 6.951 -42.992 373 HD3 ARG 551 HD3 ARG 551 -20.217 8.404 -42.065 374 HE ARG 551 HE ARG 551 -18.152 8.259 -41.078 375 HH11 ARG 551 HH11 ARG 551 -18.635 5.149 -42.759 376 HH12 ARG 551 HH12 ARG 551 -17.194 4.476 -42.026 377 HH21 ARG 551 HH21 ARG 551 -16.237 7.354 -40.373 378 HH22 ARG 551 HH22 ARG 551 -15.852 5.703 -40.803 379 H HIS 552 H HIS 552 -21.017 5.976 -36.419 380 HA HIS 552 HA HIS 552 -20.989 8.665 -35.223 381 HB2 HIS 552 HB2 HIS 552 -22.413 7.626 -33.498 382 HB3 HIS 552 HB3 HIS 552 -23.005 7.264 -35.115 383 HD2 HIS 552 HD2 HIS 552 -21.782 5.603 -31.961 384 HE1 HIS 552 HE1 HIS 552 -21.883 2.444 -34.790 385 HE2 HIS 552 HE2 HIS 552 -21.637 3.033 -32.305 386 H HIS 553 H HIS 553 -18.623 6.355 -35.373 387 HA HIS 553 HA HIS 553 -17.876 6.179 -32.548 388 HB2 HIS 553 HB2 HIS 553 -16.479 5.361 -35.121 389 HB3 HIS 553 HB3 HIS 553 -15.794 5.121 -33.526 390 HD2 HIS 553 HD2 HIS 553 -19.548 4.347 -34.143 391 HE1 HIS 553 HE1 HIS 553 -17.485 0.655 -33.682 392 HE2 HIS 553 HE2 HIS 553 -19.791 1.737 -33.909 393 H SER 554 H SER 554 -16.236 7.227 -31.466 394 HA SER 554 HA SER 554 -14.454 9.088 -32.913 395 HB2 SER 554 HB2 SER 554 -16.257 10.025 -30.636 396 HB3 SER 554 HB3 SER 554 -14.974 10.976 -31.386 397 HG SER 554 HG SER 554 -17.017 11.533 -32.245 398 HA PRO 555 HA PRO 555 -11.775 7.602 -29.681 399 HB2 PRO 555 HB2 PRO 555 -9.633 9.268 -29.956 400 HB3 PRO 555 HB3 PRO 555 -10.100 8.116 -31.240 401 HG2 PRO 555 HG2 PRO 555 -10.777 11.069 -31.057 402 HG3 PRO 555 HG3 PRO 555 -10.114 10.172 -32.458 403 HD2 PRO 555 HD2 PRO 555 -12.797 10.709 -32.142 404 HD3 PRO 555 HD3 PRO 555 -12.197 9.234 -32.965 405 H LEU 556 H LEU 556 -10.861 8.183 -27.585 406 HA LEU 556 HA LEU 556 -12.380 10.318 -26.246 407 HB2 LEU 556 HB2 LEU 556 -11.237 9.381 -24.181 408 HB3 LEU 556 HB3 LEU 556 -12.249 8.267 -25.059 409 HG LEU 556 HG LEU 556 -10.473 7.022 -25.908 410 HD11 LEU 556 HD11 LEU 556 -8.407 9.044 -24.970 411 HD12 LEU 556 HD12 LEU 556 -8.881 8.774 -26.665 412 HD13 LEU 556 HD13 LEU 556 -8.089 7.484 -25.747 413 HD21 LEU 556 HD21 LEU 556 -9.669 7.840 -23.087 414 HD22 LEU 556 HD22 LEU 556 -9.261 6.311 -23.889 415 HD23 LEU 556 HD23 LEU 556 -10.951 6.683 -23.506 416 H MET 557 H MET 557 -10.355 11.103 -28.195 417 HA MET 557 HA MET 557 -8.104 12.225 -26.701 418 HB2 MET 557 HB2 MET 557 -7.948 11.468 -29.092 419 HB3 MET 557 HB3 MET 557 -9.036 12.770 -29.560 420 HG2 MET 557 HG2 MET 557 -6.683 13.353 -29.972 421 HG3 MET 557 HG3 MET 557 -7.431 14.454 -28.835 422 HE1 MET 557 HE1 MET 557 -5.935 10.778 -28.147 423 HE2 MET 557 HE2 MET 557 -4.892 11.532 -29.377 424 HE3 MET 557 HE3 MET 557 -4.270 11.228 -27.744 425 H ARG 558 H ARG 558 -8.037 14.147 -25.692 426 HA ARG 558 HA ARG 558 -10.379 15.959 -25.889 427 HB2 ARG 558 HB2 ARG 558 -8.026 15.691 -23.984 428 HB3 ARG 558 HB3 ARG 558 -8.967 17.177 -24.049 429 HG2 ARG 558 HG2 ARG 558 -9.782 15.832 -22.262 430 HG3 ARG 558 HG3 ARG 558 -11.030 15.979 -23.499 431 HD2 ARG 558 HD2 ARG 558 -10.657 13.697 -24.240 432 HD3 ARG 558 HD3 ARG 558 -9.208 13.557 -23.218 433 HE ARG 558 HE ARG 558 -11.546 14.255 -21.674 434 HH11 ARG 558 HH11 ARG 558 -10.095 11.421 -23.220 435 HH12 ARG 558 HH12 ARG 558 -10.604 10.358 -21.934 436 HH21 ARG 558 HH21 ARG 558 -12.283 12.808 -20.134 437 HH22 ARG 558 HH22 ARG 558 -11.900 11.120 -20.264 438 H ASN 559 H ASN 559 -10.379 17.575 -27.317 439 HA ASN 559 HA ASN 559 -9.678 19.280 -28.705 440 HB2 ASN 559 HB2 ASN 559 -8.726 19.946 -26.305 441 HB3 ASN 559 HB3 ASN 559 -7.157 19.662 -27.039 442 HD21 ASN 559 HD21 ASN 559 -10.085 21.700 -27.065 443 HD22 ASN 559 HD22 ASN 559 -9.376 22.972 -28.043 444 H GLN 560 H GLN 560 -7.040 20.145 -29.462 445 HA GLN 560 HA GLN 560 -5.709 17.737 -30.603 446 HB2 GLN 560 HB2 GLN 560 -5.762 18.645 -32.849 447 HB3 GLN 560 HB3 GLN 560 -7.397 18.414 -32.278 448 HG2 GLN 560 HG2 GLN 560 -5.964 21.115 -32.343 449 HG3 GLN 560 HG3 GLN 560 -6.968 20.502 -33.638 450 HE21 GLN 560 HE21 GLN 560 -7.415 22.991 -32.187 451 HE22 GLN 560 HE22 GLN 560 -8.985 22.809 -31.420 452 H LYS 561 H LYS 561 -5.539 20.825 -29.152 453 HA LYS 561 HA LYS 561 -3.059 21.775 -30.320 454 HB2 LYS 561 HB2 LYS 561 -3.109 23.442 -28.601 455 HB3 LYS 561 HB3 LYS 561 -4.769 23.213 -29.140 456 HG2 LYS 561 HG2 LYS 561 -5.194 21.766 -27.124 457 HG3 LYS 561 HG3 LYS 561 -3.555 22.059 -26.570 458 HD2 LYS 561 HD2 LYS 561 -5.648 24.216 -27.005 459 HD3 LYS 561 HD3 LYS 561 -5.271 23.485 -25.448 460 HE2 LYS 561 HE2 LYS 561 -3.263 25.032 -27.157 461 HE3 LYS 561 HE3 LYS 561 -4.206 25.726 -25.839 462 HZ1 LYS 561 HZ1 LYS 561 -2.238 23.522 -25.502 463 HZ2 LYS 561 HZ2 LYS 561 -3.144 24.186 -24.303 464 HZ3 LYS 561 HZ3 LYS 561 -2.022 25.084 -25.072 465 H ASN 562 H ASN 562 -1.022 22.043 -29.092 466 HA ASN 562 HA ASN 562 -0.126 19.621 -27.741 467 HB2 ASN 562 HB2 ASN 562 1.374 21.087 -29.123 468 HB3 ASN 562 HB3 ASN 562 1.170 22.380 -27.941 469 HD21 ASN 562 HD21 ASN 562 3.464 22.416 -27.494 470 HD22 ASN 562 HD22 ASN 562 4.217 21.118 -26.583 471 H ARG 563 H ARG 563 -0.014 19.203 -25.572 472 HA ARG 563 HA ARG 563 -0.596 19.345 -23.338 473 HB2 ARG 563 HB2 ARG 563 0.283 22.270 -23.692 474 HB3 ARG 563 HB3 ARG 563 -0.021 21.463 -22.153 475 HG2 ARG 563 HG2 ARG 563 1.747 19.790 -22.679 476 HG3 ARG 563 HG3 ARG 563 2.111 20.667 -24.177 477 HD2 ARG 563 HD2 ARG 563 2.650 22.696 -22.874 478 HD3 ARG 563 HD3 ARG 563 2.289 21.852 -21.369 479 HE ARG 563 HE ARG 563 4.679 21.611 -23.042 480 HH11 ARG 563 HH11 ARG 563 2.864 19.977 -20.475 481 HH12 ARG 563 HH12 ARG 563 4.253 19.076 -19.948 482 HH21 ARG 563 HH21 ARG 563 6.419 20.411 -22.314 483 HH22 ARG 563 HH22 ARG 563 6.233 19.317 -20.979 484 H ASP 564 H ASP 564 -2.843 18.993 -24.277 485 HA ASP 564 HA ASP 564 -4.707 21.184 -24.478 486 HB2 ASP 564 HB2 ASP 564 -6.414 19.453 -24.571 487 HB3 ASP 564 HB3 ASP 564 -5.039 18.981 -25.561 488 H SER 565 H SER 565 -3.265 19.683 -21.741 489 HA SER 565 HA SER 565 -5.487 20.056 -19.875 490 HB2 SER 565 HB2 SER 565 -3.701 19.522 -18.162 491 HB3 SER 565 HB3 SER 565 -3.917 18.299 -19.419 492 HG SER 565 HG SER 565 -1.683 18.784 -19.020 493 H SER 566 H SER 566 -3.641 22.306 -21.475 494 HA SER 566 HA SER 566 -2.691 24.082 -19.454 495 HB2 SER 566 HB2 SER 566 -2.860 25.822 -21.252 496 HB3 SER 566 HB3 SER 566 -2.015 24.357 -21.757 497 HG SER 566 HG SER 566 -4.773 24.876 -22.284 Start of MODEL 15 1 H1 GLY 502 H1 GLY 502 -6.642 3.377 -0.686 2 H2 GLY 502 H2 GLY 502 -6.838 4.929 -1.086 3 H3 GLY 502 H3 GLY 502 -5.851 4.532 0.118 4 HA2 GLY 502 HA2 GLY 502 -4.243 3.528 -1.417 5 HA3 GLY 502 HA3 GLY 502 -5.334 3.964 -2.747 6 HA PRO 503 HA PRO 503 -2.281 7.459 -1.902 7 HB2 PRO 503 HB2 PRO 503 -0.815 7.361 -4.219 8 HB3 PRO 503 HB3 PRO 503 -0.488 6.283 -2.831 9 HG2 PRO 503 HG2 PRO 503 -2.120 5.669 -5.319 10 HG3 PRO 503 HG3 PRO 503 -0.804 4.691 -4.592 11 HD2 PRO 503 HD2 PRO 503 -3.449 4.192 -4.096 12 HD3 PRO 503 HD3 PRO 503 -2.195 3.958 -2.836 13 H VAL 504 H VAL 504 -2.070 9.530 -3.122 14 HA VAL 504 HA VAL 504 -4.591 10.311 -4.326 15 HB VAL 504 HB VAL 504 -3.147 11.794 -2.947 16 HG11 VAL 504 HG11 VAL 504 -1.300 12.083 -5.353 17 HG12 VAL 504 HG12 VAL 504 -1.210 12.949 -3.812 18 HG13 VAL 504 HG13 VAL 504 -0.896 11.210 -3.856 19 HG21 VAL 504 HG21 VAL 504 -4.889 12.720 -4.451 20 HG22 VAL 504 HG22 VAL 504 -3.546 13.839 -4.167 21 HG23 VAL 504 HG23 VAL 504 -3.655 12.969 -5.707 22 H GLN 505 H GLN 505 -5.103 10.831 -6.447 23 HA GLN 505 HA GLN 505 -3.081 10.605 -8.574 24 HB2 GLN 505 HB2 GLN 505 -3.752 8.240 -8.186 25 HB3 GLN 505 HB3 GLN 505 -5.447 8.674 -8.412 26 HG2 GLN 505 HG2 GLN 505 -4.973 9.312 -10.762 27 HG3 GLN 505 HG3 GLN 505 -3.258 8.938 -10.528 28 HE21 GLN 505 HE21 GLN 505 -6.564 7.451 -10.480 29 HE22 GLN 505 HE22 GLN 505 -5.982 5.854 -10.918 30 H ILE 506 H ILE 506 -3.509 12.192 -9.997 31 HA ILE 506 HA ILE 506 -6.174 13.491 -9.952 32 HB ILE 506 HB ILE 506 -5.100 15.223 -11.314 33 HG12 ILE 506 HG12 ILE 506 -2.521 13.596 -11.189 34 HG13 ILE 506 HG13 ILE 506 -3.517 13.823 -12.628 35 HG21 ILE 506 HG21 ILE 506 -4.990 15.214 -8.817 36 HG22 ILE 506 HG22 ILE 506 -3.358 14.517 -8.919 37 HG23 ILE 506 HG23 ILE 506 -3.690 16.132 -9.580 38 HD11 ILE 506 HD11 ILE 506 -1.993 15.991 -11.148 39 HD12 ILE 506 HD12 ILE 506 -1.677 15.336 -12.761 40 HD13 ILE 506 HD13 ILE 506 -3.142 16.295 -12.475 41 H ASP 507 H ASP 507 -4.443 11.204 -11.907 42 HA ASP 507 HA ASP 507 -6.652 11.033 -13.824 43 HB2 ASP 507 HB2 ASP 507 -5.097 12.919 -14.658 44 HB3 ASP 507 HB3 ASP 507 -3.871 11.700 -14.876 45 HA PRO 508 HA PRO 508 -5.108 6.849 -13.535 46 HB2 PRO 508 HB2 PRO 508 -6.686 5.639 -15.435 47 HB3 PRO 508 HB3 PRO 508 -7.315 6.219 -13.868 48 HG2 PRO 508 HG2 PRO 508 -7.427 7.628 -16.550 49 HG3 PRO 508 HG3 PRO 508 -8.749 7.390 -15.365 50 HD2 PRO 508 HD2 PRO 508 -7.307 9.698 -15.499 51 HD3 PRO 508 HD3 PRO 508 -7.898 9.056 -13.937 52 H TYR 509 H TYR 509 -3.290 5.943 -14.347 53 HA TYR 509 HA TYR 509 -2.172 6.988 -16.838 54 HB2 TYR 509 HB2 TYR 509 -0.181 5.673 -16.207 55 HB3 TYR 509 HB3 TYR 509 -0.733 6.717 -14.917 56 HD1 TYR 509 HD1 TYR 509 -1.773 5.789 -12.857 57 HD2 TYR 509 HD2 TYR 509 -0.206 3.237 -15.960 58 HE1 TYR 509 HE1 TYR 509 -1.814 3.862 -11.289 59 HE2 TYR 509 HE2 TYR 509 -0.237 1.309 -14.396 60 HH TYR 509 HH TYR 509 -0.731 0.577 -12.267 61 H LEU 510 H LEU 510 -4.180 4.348 -16.070 62 HA LEU 510 HA LEU 510 -4.843 2.432 -17.200 63 HB2 LEU 510 HB2 LEU 510 -3.960 4.023 -19.669 64 HB3 LEU 510 HB3 LEU 510 -5.135 2.704 -19.625 65 HG LEU 510 HG LEU 510 -5.495 5.433 -18.335 66 HD11 LEU 510 HD11 LEU 510 -6.785 4.181 -20.795 67 HD12 LEU 510 HD12 LEU 510 -5.566 5.477 -20.798 68 HD13 LEU 510 HD13 LEU 510 -7.167 5.773 -20.102 69 HD21 LEU 510 HD21 LEU 510 -7.845 4.712 -17.980 70 HD22 LEU 510 HD22 LEU 510 -6.721 3.721 -17.047 71 HD23 LEU 510 HD23 LEU 510 -7.429 3.079 -18.547 72 H GLU 511 H GLU 511 -3.444 1.953 -20.025 73 HA GLU 511 HA GLU 511 -0.754 1.098 -19.320 74 HB2 GLU 511 HB2 GLU 511 -1.072 -1.294 -19.603 75 HB3 GLU 511 HB3 GLU 511 -2.076 -0.735 -18.277 76 HG2 GLU 511 HG2 GLU 511 -4.054 -0.718 -19.865 77 HG3 GLU 511 HG3 GLU 511 -3.003 -1.451 -21.082 78 H ASP 512 H ASP 512 0.349 0.049 -21.186 79 HA ASP 512 HA ASP 512 -0.554 1.321 -23.691 80 HB2 ASP 512 HB2 ASP 512 1.994 -0.195 -22.945 81 HB3 ASP 512 HB3 ASP 512 1.699 0.546 -24.517 82 H SER 513 H SER 513 -2.479 -0.206 -23.782 83 HA SER 513 HA SER 513 -2.090 -3.004 -24.352 84 HB2 SER 513 HB2 SER 513 -4.397 -1.119 -24.985 85 HB3 SER 513 HB3 SER 513 -4.443 -2.867 -25.228 86 HG SER 513 HG SER 513 -5.349 -2.241 -23.201 87 H LEU 514 H LEU 514 -1.796 -4.118 -26.241 88 HA LEU 514 HA LEU 514 -0.674 -2.752 -28.506 89 HB2 LEU 514 HB2 LEU 514 -1.517 -5.603 -27.926 90 HB3 LEU 514 HB3 LEU 514 -1.048 -5.144 -29.553 91 HG LEU 514 HG LEU 514 0.741 -4.781 -27.116 92 HD11 LEU 514 HD11 LEU 514 0.767 -6.897 -29.312 93 HD12 LEU 514 HD12 LEU 514 0.344 -7.154 -27.608 94 HD13 LEU 514 HD13 LEU 514 1.998 -6.699 -28.046 95 HD21 LEU 514 HD21 LEU 514 1.159 -4.285 -30.104 96 HD22 LEU 514 HD22 LEU 514 2.512 -4.530 -28.973 97 HD23 LEU 514 HD23 LEU 514 1.417 -3.171 -28.750 98 H CYS 515 H CYS 515 -1.456 -2.325 -30.547 99 HA CYS 515 HA CYS 515 -4.178 -1.618 -30.875 100 HB2 CYS 515 HB2 CYS 515 -2.427 -0.687 -32.270 101 HB3 CYS 515 HB3 CYS 515 -2.006 -2.276 -32.892 102 H HIS 516 H HIS 516 -5.966 -2.580 -31.826 103 HA HIS 516 HA HIS 516 -6.213 -5.417 -31.541 104 HB2 HIS 516 HB2 HIS 516 -8.074 -3.784 -31.297 105 HB3 HIS 516 HB3 HIS 516 -7.990 -3.431 -33.014 106 HD2 HIS 516 HD2 HIS 516 -10.135 -4.431 -34.033 107 HE1 HIS 516 HE1 HIS 516 -10.068 -8.298 -32.256 108 HE2 HIS 516 HE2 HIS 516 -11.282 -6.795 -33.914 109 H ILE 517 H ILE 517 -5.694 -3.353 -34.429 110 HA ILE 517 HA ILE 517 -6.280 -5.487 -36.316 111 HB ILE 517 HB ILE 517 -4.943 -2.766 -36.749 112 HG12 ILE 517 HG12 ILE 517 -7.119 -2.369 -35.852 113 HG13 ILE 517 HG13 ILE 517 -7.171 -2.043 -37.571 114 HG21 ILE 517 HG21 ILE 517 -4.443 -4.186 -38.650 115 HG22 ILE 517 HG22 ILE 517 -6.130 -4.729 -38.756 116 HG23 ILE 517 HG23 ILE 517 -5.699 -3.043 -39.118 117 HD11 ILE 517 HD11 ILE 517 -9.206 -3.156 -36.928 118 HD12 ILE 517 HD12 ILE 517 -8.270 -4.295 -37.913 119 HD13 ILE 517 HD13 ILE 517 -8.327 -4.476 -36.144 120 H CYS 518 H CYS 518 -3.211 -3.600 -35.941 121 HA CYS 518 HA CYS 518 -1.734 -5.749 -37.264 122 HB2 CYS 518 HB2 CYS 518 0.193 -4.207 -37.003 123 HB3 CYS 518 HB3 CYS 518 -1.204 -3.480 -37.797 124 H SER 519 H SER 519 -1.979 -4.425 -33.951 125 HA SER 519 HA SER 519 -1.209 -5.190 -31.904 126 HB2 SER 519 HB2 SER 519 -0.847 -7.906 -33.272 127 HB3 SER 519 HB3 SER 519 -1.040 -7.580 -31.553 128 HG SER 519 HG SER 519 -3.142 -6.548 -32.265 129 H SER 520 H SER 520 0.771 -4.364 -34.183 130 HA SER 520 HA SER 520 3.267 -5.637 -33.169 131 HB2 SER 520 HB2 SER 520 2.920 -3.579 -35.388 132 HB3 SER 520 HB3 SER 520 4.351 -4.564 -35.069 133 HG SER 520 HG SER 520 3.113 -6.425 -35.654 134 H GLN 521 H GLN 521 1.322 -3.045 -32.304 135 HA GLN 521 HA GLN 521 3.379 -1.691 -30.771 136 HB2 GLN 521 HB2 GLN 521 3.805 -0.800 -33.102 137 HB3 GLN 521 HB3 GLN 521 2.147 -0.219 -33.143 138 HG2 GLN 521 HG2 GLN 521 2.671 1.349 -31.280 139 HG3 GLN 521 HG3 GLN 521 4.327 0.719 -31.228 140 HE21 GLN 521 HE21 GLN 521 1.954 2.416 -33.368 141 HE22 GLN 521 HE22 GLN 521 3.196 3.232 -34.305 142 HA PRO 522 HA PRO 522 -0.327 -0.656 -28.469 143 HB2 PRO 522 HB2 PRO 522 1.261 1.742 -27.582 144 HB3 PRO 522 HB3 PRO 522 0.409 0.527 -26.590 145 HG2 PRO 522 HG2 PRO 522 3.110 0.486 -26.790 146 HG3 PRO 522 HG3 PRO 522 2.182 -1.050 -26.868 147 HD2 PRO 522 HD2 PRO 522 3.283 0.598 -29.155 148 HD3 PRO 522 HD3 PRO 522 3.393 -1.170 -28.857 149 H GLY 523 H GLY 523 -2.151 0.583 -28.825 150 HA2 GLY 523 HA2 GLY 523 -1.957 2.595 -30.993 151 HA3 GLY 523 HA3 GLY 523 -3.437 1.867 -30.356 152 HA PRO 524 HA PRO 524 -2.174 5.904 -27.958 153 HB2 PRO 524 HB2 PRO 524 -2.248 8.032 -29.700 154 HB3 PRO 524 HB3 PRO 524 -0.777 7.063 -29.401 155 HG2 PRO 524 HG2 PRO 524 -2.744 6.798 -31.686 156 HG3 PRO 524 HG3 PRO 524 -0.955 6.862 -31.767 157 HD2 PRO 524 HD2 PRO 524 -2.360 4.521 -31.796 158 HD3 PRO 524 HD3 PRO 524 -0.754 4.639 -31.009 159 H PHE 525 H PHE 525 -4.530 5.214 -30.485 160 HA PHE 525 HA PHE 525 -6.554 6.995 -29.202 161 HB2 PHE 525 HB2 PHE 525 -6.703 5.423 -31.809 162 HB3 PHE 525 HB3 PHE 525 -7.897 6.565 -31.216 163 HD1 PHE 525 HD2 PHE 525 -7.107 9.033 -30.821 164 HD2 PHE 525 HD1 PHE 525 -4.975 6.174 -33.244 165 HE1 PHE 525 HE2 PHE 525 -5.926 10.889 -31.972 166 HE2 PHE 525 HE1 PHE 525 -3.772 8.031 -34.368 167 HZ PHE 525 HZ PHE 525 -4.252 10.390 -33.745 168 H PHE 526 H PHE 526 -8.419 6.199 -28.283 169 HA PHE 526 HA PHE 526 -8.806 3.230 -28.284 170 HB2 PHE 526 HB2 PHE 526 -7.977 3.723 -26.084 171 HB3 PHE 526 HB3 PHE 526 -8.959 5.179 -25.954 172 HD1 PHE 526 HD1 PHE 526 -9.124 1.450 -25.990 173 HD2 PHE 526 HD2 PHE 526 -11.227 5.099 -25.180 174 HE1 PHE 526 HE1 PHE 526 -10.935 0.148 -24.900 175 HE2 PHE 526 HE2 PHE 526 -13.048 3.808 -24.080 176 HZ PHE 526 HZ PHE 526 -12.900 1.329 -23.940 177 H CYS 527 H CYS 527 -10.793 2.586 -28.883 178 HA CYS 527 HA CYS 527 -12.841 4.696 -29.385 179 HB2 CYS 527 HB2 CYS 527 -12.195 3.195 -31.252 180 HB3 CYS 527 HB3 CYS 527 -12.682 1.791 -30.300 181 H ARG 528 H ARG 528 -14.652 4.873 -28.182 182 HA ARG 528 HA ARG 528 -14.926 3.064 -25.863 183 HB2 ARG 528 HB2 ARG 528 -16.686 4.787 -25.182 184 HB3 ARG 528 HB3 ARG 528 -15.035 5.323 -25.298 185 HG2 ARG 528 HG2 ARG 528 -16.644 6.996 -26.077 186 HG3 ARG 528 HG3 ARG 528 -15.422 6.593 -27.265 187 HD2 ARG 528 HD2 ARG 528 -17.605 6.990 -28.277 188 HD3 ARG 528 HD3 ARG 528 -17.030 5.353 -28.592 189 HE ARG 528 HE ARG 528 -18.752 5.479 -26.252 190 HH11 ARG 528 HH11 ARG 528 -18.963 5.488 -29.779 191 HH12 ARG 528 HH12 ARG 528 -20.312 4.392 -29.803 192 HH21 ARG 528 HH21 ARG 528 -20.665 4.276 -26.342 193 HH22 ARG 528 HH22 ARG 528 -21.390 3.917 -27.881 194 H ASP 529 H ASP 529 -16.179 2.970 -28.982 195 HA ASP 529 HA ASP 529 -18.963 2.408 -28.412 196 HB2 ASP 529 HB2 ASP 529 -17.912 3.183 -30.655 197 HB3 ASP 529 HB3 ASP 529 -17.452 1.481 -30.877 198 H GLN 530 H GLN 530 -20.058 0.453 -28.308 199 HA GLN 530 HA GLN 530 -18.698 -1.732 -27.066 200 HB2 GLN 530 HB2 GLN 530 -20.826 -2.915 -27.295 201 HB3 GLN 530 HB3 GLN 530 -21.067 -1.298 -26.676 202 HG2 GLN 530 HG2 GLN 530 -21.556 -2.070 -29.596 203 HG3 GLN 530 HG3 GLN 530 -22.771 -2.177 -28.342 204 HE21 GLN 530 HE21 GLN 530 -23.522 -0.668 -30.427 205 HE22 GLN 530 HE22 GLN 530 -23.425 1.036 -30.013 206 H VAL 531 H VAL 531 -19.221 -0.939 -30.467 207 HA VAL 531 HA VAL 531 -18.904 -3.622 -31.548 208 HB VAL 531 HB VAL 531 -18.495 -0.836 -32.661 209 HG11 VAL 531 HG11 VAL 531 -18.172 -3.429 -34.195 210 HG12 VAL 531 HG12 VAL 531 -18.447 -1.838 -34.935 211 HG13 VAL 531 HG13 VAL 531 -16.980 -2.113 -33.987 212 HG21 VAL 531 HG21 VAL 531 -20.586 -2.941 -33.352 213 HG22 VAL 531 HG22 VAL 531 -20.865 -1.536 -32.301 214 HG23 VAL 531 HG23 VAL 531 -20.473 -1.297 -34.019 215 H CYS 532 H CYS 532 -16.628 -1.005 -30.665 216 HA CYS 532 HA CYS 532 -14.326 -2.691 -31.558 217 HB2 CYS 532 HB2 CYS 532 -14.541 0.268 -30.898 218 HB3 CYS 532 HB3 CYS 532 -13.044 -0.542 -31.375 219 H PHE 533 H PHE 533 -14.552 -0.144 -29.024 220 HA PHE 533 HA PHE 533 -13.813 -0.080 -26.846 221 HB2 PHE 533 HB2 PHE 533 -15.749 -1.859 -26.867 222 HB3 PHE 533 HB3 PHE 533 -14.487 -3.030 -26.562 223 HD1 PHE 533 HD1 PHE 533 -15.530 0.431 -25.379 224 HD2 PHE 533 HD2 PHE 533 -14.145 -3.509 -24.258 225 HE1 PHE 533 HE1 PHE 533 -15.704 1.042 -22.986 226 HE2 PHE 533 HE2 PHE 533 -14.308 -2.876 -21.864 227 HZ PHE 533 HZ PHE 533 -15.090 -0.603 -21.223 228 H LYS 534 H LYS 534 -11.685 -0.278 -28.548 229 HA LYS 534 HA LYS 534 -9.679 -1.648 -26.906 230 HB2 LYS 534 HB2 LYS 534 -10.721 -3.348 -28.604 231 HB3 LYS 534 HB3 LYS 534 -9.797 -2.499 -29.833 232 HG2 LYS 534 HG2 LYS 534 -7.730 -3.226 -28.908 233 HG3 LYS 534 HG3 LYS 534 -8.432 -3.526 -27.305 234 HD2 LYS 534 HD2 LYS 534 -9.588 -5.486 -28.062 235 HD3 LYS 534 HD3 LYS 534 -9.235 -5.125 -29.754 236 HE2 LYS 534 HE2 LYS 534 -6.772 -5.372 -29.242 237 HE3 LYS 534 HE3 LYS 534 -7.199 -5.858 -27.597 238 HZ1 LYS 534 HZ1 LYS 534 -6.856 -7.782 -29.044 239 HZ2 LYS 534 HZ2 LYS 534 -8.035 -7.283 -30.067 240 HZ3 LYS 534 HZ3 LYS 534 -8.410 -7.748 -28.542 241 H TYR 535 H TYR 535 -7.424 -1.468 -28.187 242 HA TYR 535 HA TYR 535 -7.145 1.423 -28.740 243 HB2 TYR 535 HB2 TYR 535 -5.185 -0.833 -28.161 244 HB3 TYR 535 HB3 TYR 535 -4.656 0.748 -28.691 245 HD1 TYR 535 HD2 TYR 535 -7.446 0.208 -26.203 246 HD2 TYR 535 HD1 TYR 535 -3.316 1.251 -26.804 247 HE1 TYR 535 HE2 TYR 535 -7.366 1.127 -23.929 248 HE2 TYR 535 HE1 TYR 535 -3.183 2.057 -24.473 249 HH TYR 535 HH TYR 535 -4.291 2.316 -22.494 250 H PHE 536 H PHE 536 -6.109 2.315 -30.578 251 HA PHE 536 HA PHE 536 -5.498 0.505 -32.861 252 HB2 PHE 536 HB2 PHE 536 -7.497 2.792 -32.980 253 HB3 PHE 536 HB3 PHE 536 -6.895 1.926 -34.376 254 HD1 PHE 536 HD1 PHE 536 -9.150 1.767 -31.458 255 HD2 PHE 536 HD2 PHE 536 -7.653 -0.341 -34.904 256 HE1 PHE 536 HE1 PHE 536 -10.933 0.073 -31.195 257 HE2 PHE 536 HE2 PHE 536 -9.459 -2.030 -34.654 258 HZ PHE 536 HZ PHE 536 -11.094 -1.839 -32.786 259 H CYS 537 H CYS 537 -4.119 1.402 -34.430 260 HA CYS 537 HA CYS 537 -2.611 3.832 -33.682 261 HB2 CYS 537 HB2 CYS 537 -2.350 2.260 -36.269 262 HB3 CYS 537 HB3 CYS 537 -1.160 3.288 -35.489 263 H ARG 538 H ARG 538 -2.178 5.424 -35.631 264 HA ARG 538 HA ARG 538 -4.607 6.784 -36.220 265 HB2 ARG 538 HB2 ARG 538 -2.282 7.766 -36.210 266 HB3 ARG 538 HB3 ARG 538 -1.971 6.979 -37.759 267 HG2 ARG 538 HG2 ARG 538 -3.839 8.283 -38.784 268 HG3 ARG 538 HG3 ARG 538 -4.195 9.002 -37.208 269 HD2 ARG 538 HD2 ARG 538 -2.930 10.597 -38.523 270 HD3 ARG 538 HD3 ARG 538 -1.946 10.048 -37.172 271 HE ARG 538 HE ARG 538 -0.440 9.084 -38.632 272 HH11 ARG 538 HH11 ARG 538 -3.313 9.892 -40.537 273 HH12 ARG 538 HH12 ARG 538 -2.516 9.551 -42.043 274 HH21 ARG 538 HH21 ARG 538 0.515 8.648 -40.604 275 HH22 ARG 538 HH22 ARG 538 -0.382 8.855 -42.076 276 H SER 539 H SER 539 -2.596 4.678 -38.356 277 HA SER 539 HA SER 539 -4.395 4.897 -40.626 278 HB2 SER 539 HB2 SER 539 -3.015 2.909 -41.457 279 HB3 SER 539 HB3 SER 539 -2.115 4.389 -41.083 280 HG SER 539 HG SER 539 -1.108 2.496 -40.201 281 H CYS 540 H CYS 540 -3.915 2.482 -38.017 282 HA CYS 540 HA CYS 540 -5.739 0.524 -39.039 283 HB2 CYS 540 HB2 CYS 540 -4.934 1.095 -36.167 284 HB3 CYS 540 HB3 CYS 540 -5.646 -0.405 -36.750 285 H TRP 541 H TRP 541 -6.181 3.364 -36.920 286 HA TRP 541 HA TRP 541 -8.906 2.847 -36.177 287 HB2 TRP 541 HB2 TRP 541 -7.518 4.478 -34.988 288 HB3 TRP 541 HB3 TRP 541 -7.307 5.438 -36.444 289 HD1 TRP 541 HD1 TRP 541 -9.521 6.721 -37.369 290 HE1 TRP 541 HE1 TRP 541 -11.649 7.569 -36.197 291 HE3 TRP 541 HE3 TRP 541 -8.852 4.515 -32.814 292 HZ2 TRP 541 HZ2 TRP 541 -13.072 6.980 -33.730 293 HZ3 TRP 541 HZ3 TRP 541 -10.540 4.766 -31.039 294 HH2 TRP 541 HH2 TRP 541 -12.698 5.915 -31.503 295 H HIS 542 H HIS 542 -7.425 4.768 -38.842 296 HA HIS 542 HA HIS 542 -9.832 5.695 -40.022 297 HB2 HIS 542 HB2 HIS 542 -7.581 6.524 -40.612 298 HB3 HIS 542 HB3 HIS 542 -7.174 4.970 -41.339 299 HD2 HIS 542 HD2 HIS 542 -9.552 7.990 -41.888 300 HE1 HIS 542 HE1 HIS 542 -9.242 5.938 -45.605 301 HE2 HIS 542 HE2 HIS 542 -10.186 7.999 -44.442 302 H TRP 543 H TRP 543 -8.004 2.630 -40.521 303 HA TRP 543 HA TRP 543 -9.698 1.601 -42.609 304 HB2 TRP 543 HB2 TRP 543 -7.423 0.760 -42.142 305 HB3 TRP 543 HB3 TRP 543 -7.937 0.157 -40.574 306 HD1 TRP 543 HD1 TRP 543 -8.139 -0.592 -44.288 307 HE1 TRP 543 HE1 TRP 543 -9.045 -2.957 -44.686 308 HE3 TRP 543 HE3 TRP 543 -9.440 -1.794 -39.470 309 HZ2 TRP 543 HZ2 TRP 543 -10.278 -5.059 -43.139 310 HZ3 TRP 543 HZ3 TRP 543 -10.548 -3.958 -38.983 311 HH2 TRP 543 HH2 TRP 543 -10.963 -5.599 -40.799 312 H ARG 544 H ARG 544 -9.655 1.083 -39.028 313 HA ARG 544 HA ARG 544 -11.706 -0.858 -38.911 314 HB2 ARG 544 HB2 ARG 544 -10.228 -0.347 -37.026 315 HB3 ARG 544 HB3 ARG 544 -10.885 1.276 -36.896 316 HG2 ARG 544 HG2 ARG 544 -11.749 -0.056 -35.120 317 HG3 ARG 544 HG3 ARG 544 -13.083 0.350 -36.176 318 HD2 ARG 544 HD2 ARG 544 -11.603 -2.312 -36.305 319 HD3 ARG 544 HD3 ARG 544 -12.998 -2.029 -35.253 320 HE ARG 544 HE ARG 544 -13.875 -1.221 -37.748 321 HH11 ARG 544 HH11 ARG 544 -12.722 -4.314 -36.459 322 HH12 ARG 544 HH12 ARG 544 -13.581 -5.225 -37.663 323 HH21 ARG 544 HH21 ARG 544 -14.921 -2.434 -39.252 324 HH22 ARG 544 HH22 ARG 544 -14.831 -4.172 -39.220 325 H HIS 545 H HIS 545 -11.956 2.718 -38.688 326 HA HIS 545 HA HIS 545 -14.891 2.513 -38.398 327 HB2 HIS 545 HB2 HIS 545 -13.036 4.949 -38.409 328 HB3 HIS 545 HB3 HIS 545 -14.749 4.944 -37.954 329 HD1 HIS 545 HD1 HIS 545 -11.370 4.186 -36.485 330 HD2 HIS 545 HD2 HIS 545 -15.376 3.150 -35.850 331 HE1 HIS 545 HE1 HIS 545 -11.469 3.107 -34.170 332 H SER 546 H SER 546 -13.050 2.229 -41.064 333 HA SER 546 HA SER 546 -14.325 4.112 -42.902 334 HB2 SER 546 HB2 SER 546 -12.097 2.977 -43.301 335 HB3 SER 546 HB3 SER 546 -12.980 1.450 -43.490 336 HG SER 546 HG SER 546 -12.528 2.505 -45.511 337 H MET 547 H MET 547 -14.995 0.856 -41.651 338 HA MET 547 HA MET 547 -16.908 -0.016 -43.555 339 HB2 MET 547 HB2 MET 547 -15.902 -1.468 -41.829 340 HB3 MET 547 HB3 MET 547 -16.745 -0.576 -40.557 341 HG2 MET 547 HG2 MET 547 -17.847 -2.712 -41.077 342 HG3 MET 547 HG3 MET 547 -18.903 -1.345 -41.372 343 HE1 MET 547 HE1 MET 547 -19.768 -4.087 -42.358 344 HE2 MET 547 HE2 MET 547 -20.634 -2.578 -42.729 345 HE3 MET 547 HE3 MET 547 -20.275 -3.739 -44.025 346 H GLU 548 H GLU 548 -19.089 0.266 -43.816 347 HA GLU 548 HA GLU 548 -20.306 2.681 -42.868 348 HB2 GLU 548 HB2 GLU 548 -21.514 0.189 -44.154 349 HB3 GLU 548 HB3 GLU 548 -22.389 1.699 -43.867 350 HG2 GLU 548 HG2 GLU 548 -20.751 2.915 -45.299 351 HG3 GLU 548 HG3 GLU 548 -19.929 1.391 -45.644 352 H GLY 549 H GLY 549 -21.797 3.092 -41.259 353 HA2 GLY 549 HA2 GLY 549 -23.371 2.500 -39.571 354 HA3 GLY 549 HA3 GLY 549 -22.777 0.828 -39.600 355 H LEU 550 H LEU 550 -19.934 2.343 -39.548 356 HA LEU 550 HA LEU 550 -19.869 2.628 -36.554 357 HB2 LEU 550 HB2 LEU 550 -17.740 1.736 -38.549 358 HB3 LEU 550 HB3 LEU 550 -17.388 2.216 -36.893 359 HG LEU 550 HG LEU 550 -18.789 0.414 -36.009 360 HD11 LEU 550 HD11 LEU 550 -18.896 -0.619 -38.864 361 HD12 LEU 550 HD12 LEU 550 -20.281 -0.170 -37.830 362 HD13 LEU 550 HD13 LEU 550 -19.295 -1.551 -37.393 363 HD21 LEU 550 HD21 LEU 550 -16.421 0.184 -36.040 364 HD22 LEU 550 HD22 LEU 550 -16.405 -0.215 -37.782 365 HD23 LEU 550 HD23 LEU 550 -17.063 -1.362 -36.608 366 H ARG 551 H ARG 551 -20.260 4.605 -39.058 367 HA ARG 551 HA ARG 551 -18.019 6.394 -39.018 368 HB2 ARG 551 HB2 ARG 551 -19.496 7.943 -40.215 369 HB3 ARG 551 HB3 ARG 551 -19.624 6.312 -40.865 370 HG2 ARG 551 HG2 ARG 551 -21.768 5.984 -39.621 371 HG3 ARG 551 HG3 ARG 551 -21.640 7.637 -38.986 372 HD2 ARG 551 HD2 ARG 551 -21.695 8.533 -41.288 373 HD3 ARG 551 HD3 ARG 551 -21.807 6.881 -41.931 374 HE ARG 551 HE ARG 551 -23.896 7.274 -40.036 375 HH11 ARG 551 HH11 ARG 551 -23.064 8.378 -43.295 376 HH12 ARG 551 HH12 ARG 551 -24.728 8.635 -43.730 377 HH21 ARG 551 HH21 ARG 551 -26.019 7.627 -40.663 378 HH22 ARG 551 HH22 ARG 551 -26.375 8.217 -42.258 379 H HIS 552 H HIS 552 -20.543 5.905 -36.706 380 HA HIS 552 HA HIS 552 -20.566 8.658 -35.684 381 HB2 HIS 552 HB2 HIS 552 -22.168 7.783 -34.049 382 HB3 HIS 552 HB3 HIS 552 -22.606 7.270 -35.673 383 HD2 HIS 552 HD2 HIS 552 -21.647 5.906 -32.267 384 HE1 HIS 552 HE1 HIS 552 -21.663 2.501 -34.806 385 HE2 HIS 552 HE2 HIS 552 -21.532 3.297 -32.377 386 H HIS 553 H HIS 553 -18.364 6.138 -35.380 387 HA HIS 553 HA HIS 553 -17.861 6.171 -32.527 388 HB2 HIS 553 HB2 HIS 553 -16.176 5.264 -34.890 389 HB3 HIS 553 HB3 HIS 553 -15.712 5.031 -33.215 390 HD2 HIS 553 HD2 HIS 553 -19.374 4.328 -34.147 391 HE1 HIS 553 HE1 HIS 553 -17.449 0.561 -33.755 392 HE2 HIS 553 HE2 HIS 553 -19.705 1.721 -34.042 393 H SER 554 H SER 554 -16.166 7.141 -31.356 394 HA SER 554 HA SER 554 -14.416 9.103 -32.733 395 HB2 SER 554 HB2 SER 554 -16.280 9.831 -30.427 396 HB3 SER 554 HB3 SER 554 -14.947 10.840 -30.998 397 HG SER 554 HG SER 554 -17.316 10.120 -32.415 398 HA PRO 555 HA PRO 555 -11.656 7.431 -29.679 399 HB2 PRO 555 HB2 PRO 555 -9.478 9.032 -30.020 400 HB3 PRO 555 HB3 PRO 555 -10.048 7.931 -31.307 401 HG2 PRO 555 HG2 PRO 555 -10.577 10.903 -31.034 402 HG3 PRO 555 HG3 PRO 555 -10.066 9.994 -32.488 403 HD2 PRO 555 HD2 PRO 555 -12.696 10.673 -31.941 404 HD3 PRO 555 HD3 PRO 555 -12.224 9.221 -32.880 405 H LEU 556 H LEU 556 -11.234 7.677 -27.507 406 HA LEU 556 HA LEU 556 -12.306 9.977 -26.129 407 HB2 LEU 556 HB2 LEU 556 -10.662 7.584 -25.174 408 HB3 LEU 556 HB3 LEU 556 -11.304 8.821 -24.107 409 HG LEU 556 HG LEU 556 -12.850 6.750 -25.674 410 HD11 LEU 556 HD11 LEU 556 -12.000 6.279 -23.352 411 HD12 LEU 556 HD12 LEU 556 -13.773 6.278 -23.445 412 HD13 LEU 556 HD13 LEU 556 -12.916 7.677 -22.762 413 HD21 LEU 556 HD21 LEU 556 -14.078 8.691 -26.189 414 HD22 LEU 556 HD22 LEU 556 -13.833 9.398 -24.564 415 HD23 LEU 556 HD23 LEU 556 -14.921 7.996 -24.786 416 H MET 557 H MET 557 -11.090 11.141 -24.410 417 HA MET 557 HA MET 557 -8.235 11.684 -25.141 418 HB2 MET 557 HB2 MET 557 -9.690 13.417 -26.169 419 HB3 MET 557 HB3 MET 557 -10.375 13.799 -24.594 420 HG2 MET 557 HG2 MET 557 -8.680 15.424 -25.407 421 HG3 MET 557 HG3 MET 557 -8.295 14.753 -23.836 422 HE1 MET 557 HE1 MET 557 -4.760 15.419 -25.274 423 HE2 MET 557 HE2 MET 557 -6.224 16.408 -25.442 424 HE3 MET 557 HE3 MET 557 -5.858 15.614 -23.893 425 H ARG 558 H ARG 558 -7.050 12.836 -23.366 426 HA ARG 558 HA ARG 558 -7.245 11.466 -20.916 427 HB2 ARG 558 HB2 ARG 558 -5.297 12.871 -21.892 428 HB3 ARG 558 HB3 ARG 558 -6.089 14.277 -21.160 429 HG2 ARG 558 HG2 ARG 558 -6.003 13.057 -18.933 430 HG3 ARG 558 HG3 ARG 558 -5.160 11.730 -19.747 431 HD2 ARG 558 HD2 ARG 558 -3.485 13.003 -18.672 432 HD3 ARG 558 HD3 ARG 558 -3.363 13.414 -20.394 433 HE ARG 558 HE ARG 558 -5.140 15.219 -18.978 434 HH11 ARG 558 HH11 ARG 558 -1.663 14.678 -19.426 435 HH12 ARG 558 HH12 ARG 558 -1.284 16.325 -19.017 436 HH21 ARG 558 HH21 ARG 558 -4.619 17.213 -18.478 437 HH22 ARG 558 HH22 ARG 558 -2.959 17.785 -18.484 438 H ASN 559 H ASN 559 -8.321 11.740 -19.024 439 HA ASN 559 HA ASN 559 -10.698 13.359 -19.031 440 HB2 ASN 559 HB2 ASN 559 -9.366 11.880 -16.709 441 HB3 ASN 559 HB3 ASN 559 -11.019 12.477 -16.745 442 HD21 ASN 559 HD21 ASN 559 -8.956 9.820 -17.549 443 HD22 ASN 559 HD22 ASN 559 -10.172 8.873 -18.389 444 H GLN 560 H GLN 560 -7.619 13.564 -17.148 445 HA GLN 560 HA GLN 560 -8.466 15.966 -15.750 446 HB2 GLN 560 HB2 GLN 560 -6.886 14.260 -14.869 447 HB3 GLN 560 HB3 GLN 560 -5.680 14.762 -16.062 448 HG2 GLN 560 HG2 GLN 560 -5.265 15.726 -13.819 449 HG3 GLN 560 HG3 GLN 560 -5.529 16.981 -15.026 450 HE21 GLN 560 HE21 GLN 560 -7.355 15.038 -12.554 451 HE22 GLN 560 HE22 GLN 560 -8.432 16.375 -12.135 452 H LYS 561 H LYS 561 -8.020 18.087 -16.137 453 HA LYS 561 HA LYS 561 -6.305 18.769 -18.501 454 HB2 LYS 561 HB2 LYS 561 -9.034 20.006 -17.887 455 HB3 LYS 561 HB3 LYS 561 -7.969 20.401 -19.248 456 HG2 LYS 561 HG2 LYS 561 -8.185 17.983 -20.009 457 HG3 LYS 561 HG3 LYS 561 -9.411 17.765 -18.745 458 HD2 LYS 561 HD2 LYS 561 -10.694 19.688 -19.806 459 HD3 LYS 561 HD3 LYS 561 -9.577 19.583 -21.172 460 HE2 LYS 561 HE2 LYS 561 -11.413 17.374 -20.116 461 HE3 LYS 561 HE3 LYS 561 -11.669 18.326 -21.580 462 HZ1 LYS 561 HZ1 LYS 561 -10.737 16.220 -22.167 463 HZ2 LYS 561 HZ2 LYS 561 -9.488 16.356 -21.134 464 HZ3 LYS 561 HZ3 LYS 561 -9.580 17.340 -22.450 465 H ASN 562 H ASN 562 -7.210 19.338 -15.220 466 HA ASN 562 HA ASN 562 -6.090 22.090 -15.151 467 HB2 ASN 562 HB2 ASN 562 -8.177 21.448 -13.860 468 HB3 ASN 562 HB3 ASN 562 -7.187 20.367 -12.884 469 HD21 ASN 562 HD21 ASN 562 -7.705 21.545 -10.939 470 HD22 ASN 562 HD22 ASN 562 -7.019 23.134 -10.645 471 H ARG 563 H ARG 563 -4.333 22.648 -13.696 472 HA ARG 563 HA ARG 563 -2.706 20.533 -12.492 473 HB2 ARG 563 HB2 ARG 563 -2.020 20.449 -14.926 474 HB3 ARG 563 HB3 ARG 563 -1.564 22.143 -14.822 475 HG2 ARG 563 HG2 ARG 563 0.430 20.846 -14.653 476 HG3 ARG 563 HG3 ARG 563 0.130 21.528 -13.060 477 HD2 ARG 563 HD2 ARG 563 -0.945 19.272 -12.438 478 HD3 ARG 563 HD3 ARG 563 -0.350 18.670 -13.999 479 HE ARG 563 HE ARG 563 1.695 19.988 -12.385 480 HH11 ARG 563 HH11 ARG 563 0.183 16.819 -12.847 481 HH12 ARG 563 HH12 ARG 563 1.514 15.998 -12.084 482 HH21 ARG 563 HH21 ARG 563 3.293 18.928 -11.432 483 HH22 ARG 563 HH22 ARG 563 3.289 17.187 -11.296 484 H ASP 564 H ASP 564 -1.646 21.331 -10.750 485 HA ASP 564 HA ASP 564 -2.009 24.122 -10.033 486 HB2 ASP 564 HB2 ASP 564 -0.459 21.849 -8.708 487 HB3 ASP 564 HB3 ASP 564 -0.676 23.448 -8.000 488 H SER 565 H SER 565 0.883 22.087 -10.765 489 HA SER 565 HA SER 565 2.299 24.349 -11.941 490 HB2 SER 565 HB2 SER 565 2.583 24.708 -9.430 491 HB3 SER 565 HB3 SER 565 3.454 23.168 -9.377 492 HG SER 565 HG SER 565 4.851 25.016 -9.604 493 H SER 566 H SER 566 4.385 23.710 -12.864 494 HA SER 566 HA SER 566 5.244 20.929 -12.782 495 HB2 SER 566 HB2 SER 566 3.239 20.725 -14.264 496 HB3 SER 566 HB3 SER 566 3.938 21.938 -15.349 497 HG SER 566 HG SER 566 4.386 19.771 -16.036 Start of MODEL 16 1 H1 GLY 502 H1 GLY 502 23.105 -2.698 -15.216 2 H2 GLY 502 H2 GLY 502 23.002 -1.705 -16.485 3 H3 GLY 502 H3 GLY 502 24.253 -2.706 -16.352 4 HA2 GLY 502 HA2 GLY 502 22.851 -4.654 -16.776 5 HA3 GLY 502 HA3 GLY 502 21.464 -3.555 -16.910 6 HA PRO 503 HA PRO 503 23.555 -4.146 -21.107 7 HB2 PRO 503 HB2 PRO 503 21.663 -5.658 -22.391 8 HB3 PRO 503 HB3 PRO 503 22.878 -6.376 -21.293 9 HG2 PRO 503 HG2 PRO 503 20.013 -5.601 -20.645 10 HG3 PRO 503 HG3 PRO 503 20.838 -7.157 -20.309 11 HD2 PRO 503 HD2 PRO 503 20.618 -5.175 -18.433 12 HD3 PRO 503 HD3 PRO 503 22.067 -6.227 -18.527 13 H VAL 504 H VAL 504 22.758 -3.344 -23.253 14 HA VAL 504 HA VAL 504 21.062 -0.978 -22.926 15 HB VAL 504 HB VAL 504 22.311 -2.258 -25.410 16 HG11 VAL 504 HG11 VAL 504 21.005 0.486 -25.070 17 HG12 VAL 504 HG12 VAL 504 21.944 -0.030 -26.487 18 HG13 VAL 504 HG13 VAL 504 20.423 -0.836 -26.107 19 HG21 VAL 504 HG21 VAL 504 23.957 -0.402 -25.236 20 HG22 VAL 504 HG22 VAL 504 23.198 0.128 -23.720 21 HG23 VAL 504 HG23 VAL 504 24.017 -1.446 -23.815 22 H GLN 505 H GLN 505 18.927 -0.791 -23.275 23 HA GLN 505 HA GLN 505 17.520 -2.822 -24.944 24 HB2 GLN 505 HB2 GLN 505 16.751 -2.065 -22.081 25 HB3 GLN 505 HB3 GLN 505 15.733 -2.990 -23.186 26 HG2 GLN 505 HG2 GLN 505 17.494 -4.764 -23.303 27 HG3 GLN 505 HG3 GLN 505 18.448 -3.871 -22.113 28 HE21 GLN 505 HE21 GLN 505 15.261 -5.528 -22.565 29 HE22 GLN 505 HE22 GLN 505 15.073 -5.880 -20.855 30 H ILE 506 H ILE 506 15.257 -2.140 -25.451 31 HA ILE 506 HA ILE 506 15.006 0.857 -25.529 32 HB ILE 506 HB ILE 506 13.745 0.551 -27.643 33 HG12 ILE 506 HG12 ILE 506 14.629 -2.371 -27.586 34 HG13 ILE 506 HG13 ILE 506 12.982 -1.809 -27.284 35 HG21 ILE 506 HG21 ILE 506 16.190 1.062 -27.572 36 HG22 ILE 506 HG22 ILE 506 16.530 -0.666 -27.807 37 HG23 ILE 506 HG23 ILE 506 15.679 0.263 -29.058 38 HD11 ILE 506 HD11 ILE 506 12.919 -0.816 -29.578 39 HD12 ILE 506 HD12 ILE 506 14.516 -1.541 -29.896 40 HD13 ILE 506 HD13 ILE 506 13.124 -2.579 -29.555 41 H ASP 507 H ASP 507 12.676 1.585 -25.829 42 HA ASP 507 HA ASP 507 10.690 -0.214 -24.535 43 HB2 ASP 507 HB2 ASP 507 10.070 1.483 -22.891 44 HB3 ASP 507 HB3 ASP 507 11.753 1.043 -22.691 45 HA PRO 508 HA PRO 508 8.057 1.697 -27.531 46 HB2 PRO 508 HB2 PRO 508 5.575 1.062 -26.570 47 HB3 PRO 508 HB3 PRO 508 6.725 -0.183 -27.137 48 HG2 PRO 508 HG2 PRO 508 6.236 0.728 -24.277 49 HG3 PRO 508 HG3 PRO 508 6.260 -0.949 -24.912 50 HD2 PRO 508 HD2 PRO 508 8.435 0.198 -23.729 51 HD3 PRO 508 HD3 PRO 508 8.608 -0.934 -25.107 52 H TYR 509 H TYR 509 6.395 3.379 -27.873 53 HA TYR 509 HA TYR 509 6.802 5.657 -26.109 54 HB2 TYR 509 HB2 TYR 509 5.257 6.808 -27.723 55 HB3 TYR 509 HB3 TYR 509 6.666 6.068 -28.450 56 HD1 TYR 509 HD1 TYR 509 2.981 5.615 -27.936 57 HD2 TYR 509 HD2 TYR 509 6.480 4.427 -30.160 58 HE1 TYR 509 HE1 TYR 509 1.542 4.342 -29.514 59 HE2 TYR 509 HE2 TYR 509 5.041 3.186 -31.765 60 HH TYR 509 HH TYR 509 1.496 2.940 -31.349 61 H LEU 510 H LEU 510 4.688 3.028 -25.936 62 HA LEU 510 HA LEU 510 2.981 4.467 -23.980 63 HB2 LEU 510 HB2 LEU 510 2.006 3.790 -26.571 64 HB3 LEU 510 HB3 LEU 510 1.404 2.524 -25.516 65 HG LEU 510 HG LEU 510 0.375 4.222 -24.043 66 HD11 LEU 510 HD11 LEU 510 0.020 6.520 -24.964 67 HD12 LEU 510 HD12 LEU 510 1.198 6.174 -26.246 68 HD13 LEU 510 HD13 LEU 510 1.707 6.227 -24.542 69 HD21 LEU 510 HD21 LEU 510 -0.883 3.044 -25.828 70 HD22 LEU 510 HD22 LEU 510 -0.428 4.305 -26.991 71 HD23 LEU 510 HD23 LEU 510 -1.484 4.695 -25.614 72 H GLU 511 H GLU 511 2.731 3.314 -22.149 73 HA GLU 511 HA GLU 511 3.758 0.530 -22.055 74 HB2 GLU 511 HB2 GLU 511 4.245 2.477 -20.367 75 HB3 GLU 511 HB3 GLU 511 2.659 2.098 -19.696 76 HG2 GLU 511 HG2 GLU 511 3.451 -0.232 -19.235 77 HG3 GLU 511 HG3 GLU 511 4.989 0.142 -20.012 78 H ASP 512 H ASP 512 0.879 1.879 -22.905 79 HA ASP 512 HA ASP 512 -0.931 0.217 -21.289 80 HB2 ASP 512 HB2 ASP 512 -1.421 2.171 -23.576 81 HB3 ASP 512 HB3 ASP 512 -2.699 1.376 -22.640 82 H SER 513 H SER 513 -2.915 -0.354 -23.170 83 HA SER 513 HA SER 513 -2.123 -2.955 -23.864 84 HB2 SER 513 HB2 SER 513 -4.479 -1.369 -24.955 85 HB3 SER 513 HB3 SER 513 -4.316 -3.132 -24.981 86 HG SER 513 HG SER 513 -5.584 -2.405 -23.191 87 H LEU 514 H LEU 514 -1.837 -4.077 -25.821 88 HA LEU 514 HA LEU 514 -0.466 -2.645 -27.960 89 HB2 LEU 514 HB2 LEU 514 0.093 -4.978 -27.155 90 HB3 LEU 514 HB3 LEU 514 -1.445 -5.519 -27.806 91 HG LEU 514 HG LEU 514 -0.612 -4.813 -30.113 92 HD11 LEU 514 HD11 LEU 514 1.221 -3.285 -29.291 93 HD12 LEU 514 HD12 LEU 514 1.783 -4.515 -30.436 94 HD13 LEU 514 HD13 LEU 514 2.090 -4.705 -28.694 95 HD21 LEU 514 HD21 LEU 514 -0.646 -7.150 -29.376 96 HD22 LEU 514 HD22 LEU 514 0.922 -6.944 -28.561 97 HD23 LEU 514 HD23 LEU 514 0.814 -6.841 -30.327 98 H CYS 515 H CYS 515 -1.183 -2.255 -30.080 99 HA CYS 515 HA CYS 515 -3.962 -1.743 -30.525 100 HB2 CYS 515 HB2 CYS 515 -2.162 -0.651 -31.808 101 HB3 CYS 515 HB3 CYS 515 -1.703 -2.207 -32.507 102 H HIS 516 H HIS 516 -5.621 -2.916 -31.385 103 HA HIS 516 HA HIS 516 -5.411 -5.790 -31.244 104 HB2 HIS 516 HB2 HIS 516 -7.434 -4.585 -30.597 105 HB3 HIS 516 HB3 HIS 516 -7.635 -3.950 -32.229 106 HD2 HIS 516 HD2 HIS 516 -9.379 -5.228 -33.612 107 HE1 HIS 516 HE1 HIS 516 -9.158 -9.058 -31.765 108 HE2 HIS 516 HE2 HIS 516 -10.333 -7.680 -33.559 109 H ILE 517 H ILE 517 -5.428 -3.471 -33.957 110 HA ILE 517 HA ILE 517 -6.059 -5.476 -35.970 111 HB ILE 517 HB ILE 517 -5.040 -2.606 -36.213 112 HG12 ILE 517 HG12 ILE 517 -7.205 -2.667 -35.149 113 HG13 ILE 517 HG13 ILE 517 -7.372 -2.056 -36.786 114 HG21 ILE 517 HG21 ILE 517 -5.939 -2.715 -38.563 115 HG22 ILE 517 HG22 ILE 517 -4.495 -3.691 -38.306 116 HG23 ILE 517 HG23 ILE 517 -6.084 -4.478 -38.382 117 HD11 ILE 517 HD11 ILE 517 -8.171 -4.823 -35.789 118 HD12 ILE 517 HD12 ILE 517 -9.233 -3.504 -36.299 119 HD13 ILE 517 HD13 ILE 517 -8.221 -4.325 -37.497 120 H CYS 518 H CYS 518 -3.115 -3.373 -35.739 121 HA CYS 518 HA CYS 518 -1.667 -5.160 -37.511 122 HB2 CYS 518 HB2 CYS 518 0.208 -3.599 -37.155 123 HB3 CYS 518 HB3 CYS 518 -1.274 -2.785 -37.627 124 H SER 519 H SER 519 -1.872 -4.775 -34.005 125 HA SER 519 HA SER 519 -0.888 -5.920 -32.241 126 HB2 SER 519 HB2 SER 519 -0.436 -8.103 -34.341 127 HB3 SER 519 HB3 SER 519 -0.447 -8.308 -32.591 128 HG SER 519 HG SER 519 -2.645 -7.553 -34.244 129 H SER 520 H SER 520 0.903 -4.252 -34.088 130 HA SER 520 HA SER 520 3.538 -5.573 -33.485 131 HB2 SER 520 HB2 SER 520 2.791 -3.599 -35.688 132 HB3 SER 520 HB3 SER 520 4.415 -4.242 -35.399 133 HG SER 520 HG SER 520 2.106 -5.827 -36.010 134 H GLN 521 H GLN 521 1.517 -3.047 -32.500 135 HA GLN 521 HA GLN 521 3.564 -1.762 -30.921 136 HB2 GLN 521 HB2 GLN 521 3.509 0.473 -31.972 137 HB3 GLN 521 HB3 GLN 521 4.112 -0.708 -33.107 138 HG2 GLN 521 HG2 GLN 521 1.723 -0.830 -34.072 139 HG3 GLN 521 HG3 GLN 521 1.367 0.585 -33.076 140 HE21 GLN 521 HE21 GLN 521 2.840 2.562 -33.477 141 HE22 GLN 521 HE22 GLN 521 3.415 2.781 -35.128 142 HA PRO 522 HA PRO 522 -0.007 -0.623 -28.563 143 HB2 PRO 522 HB2 PRO 522 1.205 2.060 -28.057 144 HB3 PRO 522 HB3 PRO 522 0.731 0.796 -26.886 145 HG2 PRO 522 HG2 PRO 522 3.346 1.320 -27.444 146 HG3 PRO 522 HG3 PRO 522 2.771 -0.363 -27.185 147 HD2 PRO 522 HD2 PRO 522 3.271 1.076 -29.796 148 HD3 PRO 522 HD3 PRO 522 3.740 -0.577 -29.293 149 H GLY 523 H GLY 523 -1.939 0.651 -28.561 150 HA2 GLY 523 HA2 GLY 523 -2.258 2.353 -30.995 151 HA3 GLY 523 HA3 GLY 523 -3.565 1.577 -30.094 152 HA PRO 524 HA PRO 524 -2.108 5.762 -27.976 153 HB2 PRO 524 HB2 PRO 524 -2.074 7.808 -29.842 154 HB3 PRO 524 HB3 PRO 524 -0.643 6.840 -29.395 155 HG2 PRO 524 HG2 PRO 524 -2.483 6.448 -31.769 156 HG3 PRO 524 HG3 PRO 524 -0.689 6.495 -31.752 157 HD2 PRO 524 HD2 PRO 524 -2.036 4.165 -31.738 158 HD3 PRO 524 HD3 PRO 524 -0.557 4.351 -30.756 159 H PHE 525 H PHE 525 -4.486 4.953 -30.402 160 HA PHE 525 HA PHE 525 -6.455 6.839 -29.160 161 HB2 PHE 525 HB2 PHE 525 -6.590 5.401 -31.846 162 HB3 PHE 525 HB3 PHE 525 -7.802 6.495 -31.201 163 HD1 PHE 525 HD2 PHE 525 -7.070 8.940 -30.667 164 HD2 PHE 525 HD1 PHE 525 -4.823 6.256 -33.182 165 HE1 PHE 525 HE2 PHE 525 -5.900 10.878 -31.688 166 HE2 PHE 525 HE1 PHE 525 -3.645 8.197 -34.193 167 HZ PHE 525 HZ PHE 525 -4.185 10.509 -33.452 168 H PHE 526 H PHE 526 -8.393 6.046 -28.374 169 HA PHE 526 HA PHE 526 -8.828 3.093 -28.487 170 HB2 PHE 526 HB2 PHE 526 -7.977 3.438 -26.277 171 HB3 PHE 526 HB3 PHE 526 -8.896 4.913 -26.059 172 HD1 PHE 526 HD2 PHE 526 -9.098 1.220 -26.087 173 HD2 PHE 526 HD1 PHE 526 -11.272 4.872 -25.408 174 HE1 PHE 526 HE2 PHE 526 -10.913 -0.066 -24.984 175 HE2 PHE 526 HE1 PHE 526 -13.089 3.595 -24.322 176 HZ PHE 526 HZ PHE 526 -12.907 1.119 -24.094 177 H CYS 527 H CYS 527 -10.867 2.515 -29.018 178 HA CYS 527 HA CYS 527 -12.825 4.722 -29.465 179 HB2 CYS 527 HB2 CYS 527 -12.281 3.233 -31.371 180 HB3 CYS 527 HB3 CYS 527 -12.810 1.832 -30.431 181 H ARG 528 H ARG 528 -14.610 4.950 -28.247 182 HA ARG 528 HA ARG 528 -14.901 3.163 -25.921 183 HB2 ARG 528 HB2 ARG 528 -16.591 4.968 -25.218 184 HB3 ARG 528 HB3 ARG 528 -14.921 5.446 -25.394 185 HG2 ARG 528 HG2 ARG 528 -16.325 7.196 -26.230 186 HG3 ARG 528 HG3 ARG 528 -15.372 6.533 -27.542 187 HD2 ARG 528 HD2 ARG 528 -17.415 5.210 -28.252 188 HD3 ARG 528 HD3 ARG 528 -18.336 6.060 -26.999 189 HE ARG 528 HE ARG 528 -17.082 8.016 -28.595 190 HH11 ARG 528 HH11 ARG 528 -19.480 5.448 -29.169 191 HH12 ARG 528 HH12 ARG 528 -20.136 6.267 -30.548 192 HH21 ARG 528 HH22 ARG 528 -17.984 8.983 -30.371 193 HH22 ARG 528 HH21 ARG 528 -19.306 8.235 -31.238 194 H ASP 529 H ASP 529 -16.183 3.026 -29.006 195 HA ASP 529 HA ASP 529 -18.994 2.675 -28.429 196 HB2 ASP 529 HB2 ASP 529 -17.900 3.309 -30.681 197 HB3 ASP 529 HB3 ASP 529 -17.524 1.577 -30.854 198 H GLN 530 H GLN 530 -20.250 0.764 -28.474 199 HA GLN 530 HA GLN 530 -19.201 -1.487 -27.073 200 HB2 GLN 530 HB2 GLN 530 -21.665 -1.469 -28.876 201 HB3 GLN 530 HB3 GLN 530 -21.324 -2.534 -27.522 202 HG2 GLN 530 HG2 GLN 530 -22.862 -1.118 -26.608 203 HG3 GLN 530 HG3 GLN 530 -21.362 -0.360 -26.067 204 HE21 GLN 530 HE21 GLN 530 -24.195 -0.056 -28.231 205 HE22 GLN 530 HE22 GLN 530 -23.883 1.623 -28.646 206 H VAL 531 H VAL 531 -19.449 -0.758 -30.549 207 HA VAL 531 HA VAL 531 -19.120 -3.479 -31.495 208 HB VAL 531 HB VAL 531 -18.610 -0.766 -32.739 209 HG11 VAL 531 HG11 VAL 531 -18.672 -1.892 -34.958 210 HG12 VAL 531 HG12 VAL 531 -17.207 -2.214 -34.016 211 HG13 VAL 531 HG13 VAL 531 -18.486 -3.457 -34.131 212 HG21 VAL 531 HG21 VAL 531 -20.653 -1.133 -33.991 213 HG22 VAL 531 HG22 VAL 531 -20.854 -2.748 -33.267 214 HG23 VAL 531 HG23 VAL 531 -21.002 -1.302 -32.251 215 H CYS 532 H CYS 532 -16.826 -0.814 -30.803 216 HA CYS 532 HA CYS 532 -14.538 -2.538 -31.597 217 HB2 CYS 532 HB2 CYS 532 -14.763 0.413 -30.904 218 HB3 CYS 532 HB3 CYS 532 -13.239 -0.394 -31.317 219 H PHE 533 H PHE 533 -14.522 -0.008 -29.071 220 HA PHE 533 HA PHE 533 -13.825 -0.020 -26.878 221 HB2 PHE 533 HB2 PHE 533 -15.802 -1.803 -26.917 222 HB3 PHE 533 HB3 PHE 533 -14.527 -2.947 -26.553 223 HD1 PHE 533 HD2 PHE 533 -15.627 0.543 -25.505 224 HD2 PHE 533 HD1 PHE 533 -14.213 -3.341 -24.233 225 HE1 PHE 533 HE2 PHE 533 -15.848 1.230 -23.138 226 HE2 PHE 533 HE1 PHE 533 -14.419 -2.631 -21.864 227 HZ PHE 533 HZ PHE 533 -15.240 -0.349 -21.311 228 H LYS 534 H LYS 534 -11.836 -0.522 -28.878 229 HA LYS 534 HA LYS 534 -9.834 -2.058 -27.279 230 HB2 LYS 534 HB2 LYS 534 -10.454 -2.498 -30.240 231 HB3 LYS 534 HB3 LYS 534 -9.012 -3.130 -29.438 232 HG2 LYS 534 HG2 LYS 534 -10.382 -4.452 -27.887 233 HG3 LYS 534 HG3 LYS 534 -11.850 -3.804 -28.610 234 HD2 LYS 534 HD2 LYS 534 -11.049 -4.807 -30.846 235 HD3 LYS 534 HD3 LYS 534 -9.831 -5.650 -29.873 236 HE2 LYS 534 HE2 LYS 534 -11.638 -7.183 -30.101 237 HE3 LYS 534 HE3 LYS 534 -11.702 -6.576 -28.444 238 HZ1 LYS 534 HZ1 LYS 534 -13.429 -5.706 -30.700 239 HZ2 LYS 534 HZ2 LYS 534 -13.457 -4.992 -29.230 240 HZ3 LYS 534 HZ3 LYS 534 -13.902 -6.562 -29.394 241 H TYR 535 H TYR 535 -7.577 -1.828 -28.509 242 HA TYR 535 HA TYR 535 -7.127 1.095 -28.761 243 HB2 TYR 535 HB2 TYR 535 -5.407 -1.328 -28.179 244 HB3 TYR 535 HB3 TYR 535 -4.656 0.114 -28.819 245 HD1 TYR 535 HD1 TYR 535 -7.424 -0.230 -26.247 246 HD2 TYR 535 HD2 TYR 535 -3.392 1.003 -27.106 247 HE1 TYR 535 HE1 TYR 535 -7.312 0.904 -24.059 248 HE2 TYR 535 HE2 TYR 535 -3.225 2.073 -24.904 249 HH TYR 535 HH TYR 535 -6.018 2.135 -22.601 250 H PHE 536 H PHE 536 -6.197 2.112 -30.535 251 HA PHE 536 HA PHE 536 -5.562 0.475 -32.943 252 HB2 PHE 536 HB2 PHE 536 -7.512 2.809 -32.935 253 HB3 PHE 536 HB3 PHE 536 -6.986 1.927 -34.353 254 HD1 PHE 536 HD2 PHE 536 -7.710 -0.452 -34.702 255 HD2 PHE 536 HD1 PHE 536 -9.285 1.977 -31.515 256 HE1 PHE 536 HE2 PHE 536 -9.563 -2.083 -34.372 257 HE2 PHE 536 HE1 PHE 536 -11.132 0.363 -31.197 258 HZ PHE 536 HZ PHE 536 -11.276 -1.678 -32.618 259 H CYS 537 H CYS 537 -4.213 1.508 -34.465 260 HA CYS 537 HA CYS 537 -2.775 3.934 -33.537 261 HB2 CYS 537 HB2 CYS 537 -2.296 2.388 -36.111 262 HB3 CYS 537 HB3 CYS 537 -1.202 3.483 -35.277 263 H ARG 538 H ARG 538 -2.248 5.514 -35.520 264 HA ARG 538 HA ARG 538 -4.668 6.851 -36.204 265 HB2 ARG 538 HB2 ARG 538 -2.344 7.839 -36.148 266 HB3 ARG 538 HB3 ARG 538 -1.990 7.033 -37.678 267 HG2 ARG 538 HG2 ARG 538 -3.817 8.309 -38.777 268 HG3 ARG 538 HG3 ARG 538 -4.232 9.061 -37.222 269 HD2 ARG 538 HD2 ARG 538 -1.988 10.100 -37.124 270 HD3 ARG 538 HD3 ARG 538 -1.564 9.334 -38.670 271 HE ARG 538 HE ARG 538 -3.968 10.815 -39.014 272 HH11 ARG 538 HH21 ARG 538 -0.531 11.482 -38.497 273 HH12 ARG 538 HH22 ARG 538 -0.614 13.018 -39.308 274 HH21 ARG 538 HH11 ARG 538 -4.005 12.805 -40.045 275 HH22 ARG 538 HH12 ARG 538 -2.554 13.753 -40.170 276 H SER 539 H SER 539 -2.620 4.637 -38.181 277 HA SER 539 HA SER 539 -4.316 4.807 -40.536 278 HB2 SER 539 HB2 SER 539 -2.943 2.757 -41.224 279 HB3 SER 539 HB3 SER 539 -2.033 4.238 -40.883 280 HG SER 539 HG SER 539 -1.091 2.378 -39.875 281 H CYS 540 H CYS 540 -3.947 2.439 -37.854 282 HA CYS 540 HA CYS 540 -5.787 0.501 -38.863 283 HB2 CYS 540 HB2 CYS 540 -5.146 1.126 -35.970 284 HB3 CYS 540 HB3 CYS 540 -5.763 -0.395 -36.588 285 H TRP 541 H TRP 541 -6.241 3.420 -36.863 286 HA TRP 541 HA TRP 541 -8.978 2.951 -36.144 287 HB2 TRP 541 HB2 TRP 541 -7.571 4.605 -34.999 288 HB3 TRP 541 HB3 TRP 541 -7.368 5.528 -36.481 289 HD1 TRP 541 HD1 TRP 541 -9.572 6.805 -37.414 290 HE1 TRP 541 HE1 TRP 541 -11.719 7.643 -36.265 291 HE3 TRP 541 HE3 TRP 541 -8.927 4.620 -32.847 292 HZ2 TRP 541 HZ2 TRP 541 -13.169 7.037 -33.813 293 HZ3 TRP 541 HZ3 TRP 541 -10.638 4.863 -31.090 294 HH2 TRP 541 HH2 TRP 541 -12.802 5.984 -31.579 295 H HIS 542 H HIS 542 -7.442 4.748 -38.862 296 HA HIS 542 HA HIS 542 -9.825 5.674 -40.094 297 HB2 HIS 542 HB2 HIS 542 -7.549 6.447 -40.684 298 HB3 HIS 542 HB3 HIS 542 -7.168 4.865 -41.366 299 HD2 HIS 542 HD2 HIS 542 -9.478 7.920 -42.010 300 HE1 HIS 542 HE1 HIS 542 -9.200 5.757 -45.667 301 HE2 HIS 542 HE2 HIS 542 -10.102 7.871 -44.566 302 H TRP 543 H TRP 543 -8.043 2.563 -40.452 303 HA TRP 543 HA TRP 543 -9.735 1.491 -42.526 304 HB2 TRP 543 HB2 TRP 543 -7.486 0.622 -42.061 305 HB3 TRP 543 HB3 TRP 543 -7.966 0.125 -40.446 306 HD1 TRP 543 HD1 TRP 543 -8.328 -0.844 -44.106 307 HE1 TRP 543 HE1 TRP 543 -9.270 -3.219 -44.319 308 HE3 TRP 543 HE3 TRP 543 -9.391 -1.747 -39.166 309 HZ2 TRP 543 HZ2 TRP 543 -10.447 -5.210 -42.590 310 HZ3 TRP 543 HZ3 TRP 543 -10.497 -3.862 -38.499 311 HH2 TRP 543 HH2 TRP 543 -11.022 -5.601 -40.191 312 H ARG 544 H ARG 544 -9.704 1.086 -38.933 313 HA ARG 544 HA ARG 544 -11.760 -0.837 -38.749 314 HB2 ARG 544 HB2 ARG 544 -10.285 -0.247 -36.885 315 HB3 ARG 544 HB3 ARG 544 -10.951 1.374 -36.815 316 HG2 ARG 544 HG2 ARG 544 -11.796 0.092 -34.993 317 HG3 ARG 544 HG3 ARG 544 -13.137 0.466 -36.053 318 HD2 ARG 544 HD2 ARG 544 -11.659 -2.195 -36.188 319 HD3 ARG 544 HD3 ARG 544 -12.976 -1.902 -35.041 320 HE ARG 544 HE ARG 544 -13.951 -1.128 -37.553 321 HH11 ARG 544 HH21 ARG 544 -12.958 -4.182 -36.056 322 HH12 ARG 544 HH22 ARG 544 -14.015 -5.115 -37.071 323 HH21 ARG 544 HH11 ARG 544 -15.273 -2.365 -38.796 324 HH22 ARG 544 HH12 ARG 544 -15.323 -4.095 -38.604 325 H HIS 545 H HIS 545 -12.011 2.745 -38.697 326 HA HIS 545 HA HIS 545 -14.959 2.543 -38.449 327 HB2 HIS 545 HB2 HIS 545 -13.114 4.989 -38.479 328 HB3 HIS 545 HB3 HIS 545 -14.834 4.979 -38.050 329 HD1 HIS 545 HD1 HIS 545 -11.469 4.286 -36.527 330 HD2 HIS 545 HD2 HIS 545 -15.478 3.240 -35.904 331 HE1 HIS 545 HE1 HIS 545 -11.582 3.239 -34.196 332 H SER 546 H SER 546 -13.089 2.135 -41.052 333 HA SER 546 HA SER 546 -14.243 4.012 -42.974 334 HB2 SER 546 HB2 SER 546 -12.046 2.781 -43.276 335 HB3 SER 546 HB3 SER 546 -12.982 1.288 -43.465 336 HG SER 546 HG SER 546 -12.430 2.285 -45.489 337 H MET 547 H MET 547 -15.060 0.807 -41.675 338 HA MET 547 HA MET 547 -16.968 0.008 -43.637 339 HB2 MET 547 HB2 MET 547 -16.822 -0.639 -40.656 340 HB3 MET 547 HB3 MET 547 -17.834 -1.486 -41.823 341 HG2 MET 547 HG2 MET 547 -14.791 -1.373 -41.809 342 HG3 MET 547 HG3 MET 547 -15.786 -2.750 -41.375 343 HE1 MET 547 HE1 MET 547 -17.064 -4.288 -43.018 344 HE2 MET 547 HE2 MET 547 -18.012 -2.926 -43.657 345 HE3 MET 547 HE3 MET 547 -17.178 -4.026 -44.770 346 H GLU 548 H GLU 548 -19.159 0.302 -43.858 347 HA GLU 548 HA GLU 548 -20.322 2.727 -42.864 348 HB2 GLU 548 HB2 GLU 548 -21.582 0.274 -44.178 349 HB3 GLU 548 HB3 GLU 548 -22.436 1.788 -43.850 350 HG2 GLU 548 HG2 GLU 548 -20.822 3.019 -45.283 351 HG3 GLU 548 HG3 GLU 548 -19.998 1.503 -45.660 352 H GLY 549 H GLY 549 -21.889 3.116 -41.293 353 HA2 GLY 549 HA2 GLY 549 -23.451 2.501 -39.607 354 HA3 GLY 549 HA3 GLY 549 -22.821 0.842 -39.623 355 H LEU 550 H LEU 550 -20.010 2.405 -39.556 356 HA LEU 550 HA LEU 550 -19.972 2.706 -36.564 357 HB2 LEU 550 HB2 LEU 550 -17.829 1.811 -38.543 358 HB3 LEU 550 HB3 LEU 550 -17.472 2.328 -36.899 359 HG LEU 550 HG LEU 550 -18.868 0.540 -35.974 360 HD11 LEU 550 HD11 LEU 550 -19.367 -1.458 -37.312 361 HD12 LEU 550 HD12 LEU 550 -18.978 -0.555 -38.803 362 HD13 LEU 550 HD13 LEU 550 -20.360 -0.091 -37.771 363 HD21 LEU 550 HD21 LEU 550 -17.146 -1.235 -36.479 364 HD22 LEU 550 HD22 LEU 550 -16.486 0.337 -36.021 365 HD23 LEU 550 HD23 LEU 550 -16.499 -0.168 -37.734 366 H ARG 551 H ARG 551 -20.418 4.688 -39.025 367 HA ARG 551 HA ARG 551 -18.197 6.513 -39.004 368 HB2 ARG 551 HB2 ARG 551 -19.717 8.043 -40.178 369 HB3 ARG 551 HB3 ARG 551 -19.810 6.415 -40.841 370 HG2 ARG 551 HG2 ARG 551 -21.937 6.026 -39.584 371 HG3 ARG 551 HG3 ARG 551 -21.848 7.679 -38.944 372 HD2 ARG 551 HD2 ARG 551 -21.947 8.583 -41.238 373 HD3 ARG 551 HD3 ARG 551 -22.001 6.932 -41.892 374 HE ARG 551 HE ARG 551 -24.100 7.251 -39.989 375 HH11 ARG 551 HH21 ARG 551 -23.312 8.358 -43.257 376 HH12 ARG 551 HH22 ARG 551 -24.985 8.540 -43.697 377 HH21 ARG 551 HH11 ARG 551 -26.236 7.504 -40.622 378 HH22 ARG 551 HH12 ARG 551 -26.614 8.065 -42.223 379 H HIS 552 H HIS 552 -20.679 5.954 -36.670 380 HA HIS 552 HA HIS 552 -20.727 8.707 -35.621 381 HB2 HIS 552 HB2 HIS 552 -22.346 7.807 -34.014 382 HB3 HIS 552 HB3 HIS 552 -22.770 7.317 -35.649 383 HD2 HIS 552 HD2 HIS 552 -21.874 5.914 -32.257 384 HE1 HIS 552 HE1 HIS 552 -21.765 2.540 -34.832 385 HE2 HIS 552 HE2 HIS 552 -21.689 3.318 -32.391 386 H HIS 553 H HIS 553 -18.438 6.313 -35.406 387 HA HIS 553 HA HIS 553 -17.957 6.272 -32.527 388 HB2 HIS 553 HB2 HIS 553 -16.293 5.373 -34.905 389 HB3 HIS 553 HB3 HIS 553 -15.819 5.131 -33.235 390 HD2 HIS 553 HD2 HIS 553 -19.503 4.444 -34.110 391 HE1 HIS 553 HE1 HIS 553 -17.576 0.675 -33.744 392 HE2 HIS 553 HE2 HIS 553 -19.831 1.837 -33.998 393 H SER 554 H SER 554 -16.178 7.182 -31.392 394 HA SER 554 HA SER 554 -14.410 9.085 -32.787 395 HB2 SER 554 HB2 SER 554 -14.903 10.943 -31.239 396 HB3 SER 554 HB3 SER 554 -16.319 10.521 -32.206 397 HG SER 554 HG SER 554 -16.614 10.893 -29.847 398 HA PRO 555 HA PRO 555 -11.714 7.501 -29.628 399 HB2 PRO 555 HB2 PRO 555 -9.541 9.114 -29.917 400 HB3 PRO 555 HB3 PRO 555 -10.078 8.029 -31.233 401 HG2 PRO 555 HG2 PRO 555 -10.667 10.990 -30.904 402 HG3 PRO 555 HG3 PRO 555 -10.079 10.135 -32.364 403 HD2 PRO 555 HD2 PRO 555 -12.738 10.735 -31.913 404 HD3 PRO 555 HD3 PRO 555 -12.202 9.299 -32.846 405 H LEU 556 H LEU 556 -10.688 8.024 -27.558 406 HA LEU 556 HA LEU 556 -12.118 10.131 -26.086 407 HB2 LEU 556 HB2 LEU 556 -10.817 9.168 -24.118 408 HB3 LEU 556 HB3 LEU 556 -11.895 8.066 -24.937 409 HG LEU 556 HG LEU 556 -10.188 6.842 -25.941 410 HD11 LEU 556 HD11 LEU 556 -7.810 7.302 -25.995 411 HD12 LEU 556 HD12 LEU 556 -8.042 8.835 -25.139 412 HD13 LEU 556 HD13 LEU 556 -8.669 8.630 -26.793 413 HD21 LEU 556 HD21 LEU 556 -10.465 6.447 -23.526 414 HD22 LEU 556 HD22 LEU 556 -9.179 7.623 -23.177 415 HD23 LEU 556 HD23 LEU 556 -8.798 6.117 -24.033 416 H MET 557 H MET 557 -10.267 11.008 -28.142 417 HA MET 557 HA MET 557 -7.817 11.993 -27.030 418 HB2 MET 557 HB2 MET 557 -8.226 11.801 -29.458 419 HB3 MET 557 HB3 MET 557 -9.491 13.032 -29.367 420 HG2 MET 557 HG2 MET 557 -7.387 13.943 -30.233 421 HG3 MET 557 HG3 MET 557 -7.852 14.734 -28.737 422 HE1 MET 557 HE1 MET 557 -3.988 14.957 -28.607 423 HE2 MET 557 HE2 MET 557 -5.046 15.097 -30.024 424 HE3 MET 557 HE3 MET 557 -5.531 15.830 -28.477 425 H ARG 558 H ARG 558 -7.414 13.640 -25.676 426 HA ARG 558 HA ARG 558 -9.656 15.301 -24.725 427 HB2 ARG 558 HB2 ARG 558 -6.729 15.111 -23.865 428 HB3 ARG 558 HB3 ARG 558 -7.951 16.127 -23.081 429 HG2 ARG 558 HG2 ARG 558 -9.307 14.113 -22.558 430 HG3 ARG 558 HG3 ARG 558 -8.072 13.085 -23.308 431 HD2 ARG 558 HD2 ARG 558 -6.396 13.904 -21.650 432 HD3 ARG 558 HD3 ARG 558 -7.640 14.910 -20.909 433 HE ARG 558 HE ARG 558 -8.597 13.065 -19.902 434 HH11 ARG 558 HH11 ARG 558 -6.190 11.845 -22.198 435 HH12 ARG 558 HH12 ARG 558 -6.281 10.228 -21.566 436 HH21 ARG 558 HH21 ARG 558 -8.667 10.964 -19.149 437 HH22 ARG 558 HH22 ARG 558 -7.666 9.739 -19.868 438 H ASN 559 H ASN 559 -9.988 17.424 -25.148 439 HA ASN 559 HA ASN 559 -8.636 18.667 -27.367 440 HB2 ASN 559 HB2 ASN 559 -11.021 19.071 -26.690 441 HB3 ASN 559 HB3 ASN 559 -10.453 19.948 -25.267 442 HD21 ASN 559 HD21 ASN 559 -10.352 19.941 -28.881 443 HD22 ASN 559 HD22 ASN 559 -10.137 21.677 -29.013 444 H GLN 560 H GLN 560 -8.265 18.898 -23.824 445 HA GLN 560 HA GLN 560 -6.656 19.893 -22.490 446 HB2 GLN 560 HB2 GLN 560 -4.995 19.769 -25.073 447 HB3 GLN 560 HB3 GLN 560 -4.351 20.074 -23.467 448 HG2 GLN 560 HG2 GLN 560 -4.798 17.901 -22.690 449 HG3 GLN 560 HG3 GLN 560 -5.948 17.553 -23.973 450 HE21 GLN 560 HE21 GLN 560 -5.214 16.827 -26.031 451 HE22 GLN 560 HE22 GLN 560 -3.515 16.438 -26.292 452 H LYS 561 H LYS 561 -8.570 21.695 -23.396 453 HA LYS 561 HA LYS 561 -7.519 24.052 -24.649 454 HB2 LYS 561 HB2 LYS 561 -9.966 23.398 -24.332 455 HB3 LYS 561 HB3 LYS 561 -9.814 23.897 -22.646 456 HG2 LYS 561 HG2 LYS 561 -9.246 26.211 -23.402 457 HG3 LYS 561 HG3 LYS 561 -9.298 25.671 -25.083 458 HD2 LYS 561 HD2 LYS 561 -11.342 26.835 -24.570 459 HD3 LYS 561 HD3 LYS 561 -11.713 25.123 -24.822 460 HE2 LYS 561 HE2 LYS 561 -11.781 24.774 -22.359 461 HE3 LYS 561 HE3 LYS 561 -11.350 26.469 -22.100 462 HZ1 LYS 561 HZ1 LYS 561 -13.438 27.096 -23.181 463 HZ2 LYS 561 HZ2 LYS 561 -13.740 26.119 -21.907 464 HZ3 LYS 561 HZ3 LYS 561 -13.834 25.526 -23.427 465 H ASN 562 H ASN 562 -6.567 25.898 -23.843 466 HA ASN 562 HA ASN 562 -5.190 25.734 -21.298 467 HB2 ASN 562 HB2 ASN 562 -4.317 27.942 -21.880 468 HB3 ASN 562 HB3 ASN 562 -4.244 26.888 -23.283 469 HD21 ASN 562 HD21 ASN 562 -5.738 29.827 -21.934 470 HD22 ASN 562 HD22 ASN 562 -6.532 30.281 -23.429 471 H ARG 563 H ARG 563 -5.328 27.367 -19.568 472 HA ARG 563 HA ARG 563 -8.054 27.853 -18.679 473 HB2 ARG 563 HB2 ARG 563 -6.074 27.393 -17.192 474 HB3 ARG 563 HB3 ARG 563 -5.435 28.992 -17.591 475 HG2 ARG 563 HG2 ARG 563 -7.436 30.050 -16.567 476 HG3 ARG 563 HG3 ARG 563 -8.128 28.443 -16.254 477 HD2 ARG 563 HD2 ARG 563 -6.099 27.915 -14.841 478 HD3 ARG 563 HD3 ARG 563 -5.530 29.562 -15.109 479 HE ARG 563 HE ARG 563 -7.082 30.379 -13.596 480 HH11 ARG 563 HH11 ARG 563 -8.027 27.020 -14.254 481 HH12 ARG 563 HH12 ARG 563 -9.069 26.969 -12.864 482 HH21 ARG 563 HH21 ARG 563 -8.317 30.215 -11.851 483 HH22 ARG 563 HH22 ARG 563 -9.264 28.780 -11.508 484 H ASP 564 H ASP 564 -9.286 29.663 -18.847 485 HA ASP 564 HA ASP 564 -8.333 31.792 -20.650 486 HB2 ASP 564 HB2 ASP 564 -10.586 30.735 -20.889 487 HB3 ASP 564 HB3 ASP 564 -11.049 31.380 -19.315 488 H SER 565 H SER 565 -9.583 31.511 -17.280 489 HA SER 565 HA SER 565 -7.981 33.744 -16.346 490 HB2 SER 565 HB2 SER 565 -9.801 35.298 -15.806 491 HB3 SER 565 HB3 SER 565 -9.763 35.020 -17.541 492 HG SER 565 HG SER 565 -11.902 34.929 -16.755 493 H SER 566 H SER 566 -8.828 34.407 -14.015 494 HA SER 566 HA SER 566 -9.845 31.952 -12.613 495 HB2 SER 566 HB2 SER 566 -7.637 33.874 -11.760 496 HB3 SER 566 HB3 SER 566 -8.379 32.680 -10.683 497 HG SER 566 HG SER 566 -6.376 32.020 -11.764 Start of MODEL 17 1 H1 GLY 502 H1 GLY 502 10.343 7.784 -7.535 2 H2 GLY 502 H2 GLY 502 8.950 7.183 -8.086 3 H3 GLY 502 H3 GLY 502 9.326 7.032 -6.531 4 HA2 GLY 502 HA2 GLY 502 9.041 9.422 -6.142 5 HA3 GLY 502 HA3 GLY 502 8.634 9.593 -7.861 6 HA PRO 503 HA PRO 503 4.760 8.738 -5.293 7 HB2 PRO 503 HB2 PRO 503 3.501 11.165 -5.520 8 HB3 PRO 503 HB3 PRO 503 4.775 10.852 -4.305 9 HG2 PRO 503 HG2 PRO 503 5.081 12.177 -7.021 10 HG3 PRO 503 HG3 PRO 503 5.672 12.762 -5.433 11 HD2 PRO 503 HD2 PRO 503 7.270 11.385 -7.174 12 HD3 PRO 503 HD3 PRO 503 7.424 11.187 -5.399 13 H VAL 504 H VAL 504 2.515 8.600 -6.086 14 HA VAL 504 HA VAL 504 2.187 9.027 -9.035 15 HB VAL 504 HB VAL 504 1.553 6.440 -7.527 16 HG11 VAL 504 HG11 VAL 504 0.878 5.556 -9.771 17 HG12 VAL 504 HG12 VAL 504 -0.197 6.822 -9.189 18 HG13 VAL 504 HG13 VAL 504 1.018 7.197 -10.435 19 HG21 VAL 504 HG21 VAL 504 3.146 5.381 -9.117 20 HG22 VAL 504 HG22 VAL 504 3.554 6.984 -9.767 21 HG23 VAL 504 HG23 VAL 504 3.944 6.562 -8.082 22 H GLN 505 H GLN 505 0.345 10.075 -9.475 23 HA GLN 505 HA GLN 505 -1.600 10.574 -7.342 24 HB2 GLN 505 HB2 GLN 505 -0.933 12.358 -8.895 25 HB3 GLN 505 HB3 GLN 505 -1.490 11.414 -10.274 26 HG2 GLN 505 HG2 GLN 505 -3.069 13.185 -9.752 27 HG3 GLN 505 HG3 GLN 505 -3.828 11.621 -9.524 28 HE21 GLN 505 HE21 GLN 505 -4.143 10.856 -7.233 29 HE22 GLN 505 HE22 GLN 505 -4.260 12.080 -5.966 30 H ILE 506 H ILE 506 -1.469 8.703 -10.393 31 HA ILE 506 HA ILE 506 -3.675 6.995 -9.531 32 HB ILE 506 HB ILE 506 -4.896 8.979 -10.408 33 HG12 ILE 506 HG12 ILE 506 -5.297 6.598 -12.250 34 HG13 ILE 506 HG13 ILE 506 -5.797 6.641 -10.554 35 HG21 ILE 506 HG21 ILE 506 -3.734 8.368 -13.155 36 HG22 ILE 506 HG22 ILE 506 -4.869 9.658 -12.721 37 HG23 ILE 506 HG23 ILE 506 -3.216 9.719 -12.122 38 HD11 ILE 506 HD11 ILE 506 -6.820 8.453 -12.778 39 HD12 ILE 506 HD12 ILE 506 -7.694 7.154 -11.953 40 HD13 ILE 506 HD13 ILE 506 -7.244 8.618 -11.056 41 H ASP 507 H ASP 507 -3.846 5.086 -10.790 42 HA ASP 507 HA ASP 507 -1.887 4.768 -13.014 43 HB2 ASP 507 HB2 ASP 507 -0.839 3.999 -10.889 44 HB3 ASP 507 HB3 ASP 507 -2.166 2.870 -10.640 45 HA PRO 508 HA PRO 508 -5.725 2.860 -14.468 46 HB2 PRO 508 HB2 PRO 508 -5.202 2.936 -17.147 47 HB3 PRO 508 HB3 PRO 508 -5.548 4.417 -16.205 48 HG2 PRO 508 HG2 PRO 508 -2.832 3.297 -16.973 49 HG3 PRO 508 HG3 PRO 508 -3.432 4.972 -17.182 50 HD2 PRO 508 HD2 PRO 508 -1.891 4.182 -15.060 51 HD3 PRO 508 HD3 PRO 508 -3.154 5.444 -14.895 52 H TYR 509 H TYR 509 -2.503 1.667 -14.507 53 HA TYR 509 HA TYR 509 -1.608 -0.459 -14.645 54 HB2 TYR 509 HB2 TYR 509 -4.421 -1.618 -14.848 55 HB3 TYR 509 HB3 TYR 509 -2.977 -2.357 -14.213 56 HD1 TYR 509 HD2 TYR 509 -1.821 -0.752 -12.236 57 HD2 TYR 509 HD1 TYR 509 -6.008 -1.092 -13.201 58 HE1 TYR 509 HE2 TYR 509 -2.408 -0.035 -9.927 59 HE2 TYR 509 HE1 TYR 509 -6.603 -0.377 -10.896 60 HH TYR 509 HH TYR 509 -5.815 0.280 -8.834 61 H LEU 510 H LEU 510 -2.929 1.069 -17.161 62 HA LEU 510 HA LEU 510 -2.131 -1.052 -19.106 63 HB2 LEU 510 HB2 LEU 510 -4.639 0.670 -19.260 64 HB3 LEU 510 HB3 LEU 510 -4.034 -0.311 -20.586 65 HG LEU 510 HG LEU 510 -4.948 -1.455 -17.908 66 HD11 LEU 510 HD11 LEU 510 -6.988 -2.127 -19.117 67 HD12 LEU 510 HD12 LEU 510 -6.423 -1.271 -20.569 68 HD13 LEU 510 HD13 LEU 510 -6.808 -0.365 -19.089 69 HD21 LEU 510 HD21 LEU 510 -4.397 -2.821 -20.588 70 HD22 LEU 510 HD22 LEU 510 -5.000 -3.606 -19.115 71 HD23 LEU 510 HD23 LEU 510 -3.363 -2.941 -19.151 72 H GLU 511 H GLU 511 -0.939 -0.306 -20.812 73 HA GLU 511 HA GLU 511 -0.974 2.449 -21.699 74 HB2 GLU 511 HB2 GLU 511 0.322 2.767 -19.592 75 HB3 GLU 511 HB3 GLU 511 1.476 1.538 -20.096 76 HG2 GLU 511 HG2 GLU 511 2.144 2.956 -22.022 77 HG3 GLU 511 HG3 GLU 511 0.904 4.139 -21.589 78 H ASP 512 H ASP 512 1.482 -0.196 -21.384 79 HA ASP 512 HA ASP 512 2.189 0.067 -24.222 80 HB2 ASP 512 HB2 ASP 512 3.845 -0.351 -22.361 81 HB3 ASP 512 HB3 ASP 512 3.155 -1.956 -22.146 82 H SER 513 H SER 513 -0.475 -0.606 -24.089 83 HA SER 513 HA SER 513 -0.739 -3.533 -24.467 84 HB2 SER 513 HB2 SER 513 -2.804 -1.319 -24.709 85 HB3 SER 513 HB3 SER 513 -3.132 -3.055 -24.721 86 HG SER 513 HG SER 513 -3.493 -2.141 -22.647 87 H LEU 514 H LEU 514 -0.441 -4.471 -26.400 88 HA LEU 514 HA LEU 514 0.144 -2.964 -28.760 89 HB2 LEU 514 HB2 LEU 514 -0.317 -5.889 -28.129 90 HB3 LEU 514 HB3 LEU 514 -0.279 -5.387 -29.800 91 HG LEU 514 HG LEU 514 1.852 -6.279 -29.070 92 HD11 LEU 514 HD11 LEU 514 2.148 -3.320 -29.690 93 HD12 LEU 514 HD12 LEU 514 1.688 -4.547 -30.895 94 HD13 LEU 514 HD13 LEU 514 3.267 -4.631 -30.093 95 HD21 LEU 514 HD21 LEU 514 3.345 -5.106 -27.550 96 HD22 LEU 514 HD22 LEU 514 1.843 -5.516 -26.705 97 HD23 LEU 514 HD23 LEU 514 2.133 -3.847 -27.252 98 H CYS 515 H CYS 515 -1.009 -2.524 -30.610 99 HA CYS 515 HA CYS 515 -3.902 -2.400 -30.500 100 HB2 CYS 515 HB2 CYS 515 -2.554 -0.846 -31.857 101 HB3 CYS 515 HB3 CYS 515 -1.920 -2.193 -32.788 102 H HIS 516 H HIS 516 -5.338 -3.984 -30.887 103 HA HIS 516 HA HIS 516 -4.446 -6.668 -31.354 104 HB2 HIS 516 HB2 HIS 516 -6.834 -7.237 -31.304 105 HB3 HIS 516 HB3 HIS 516 -6.420 -6.130 -30.003 106 HD2 HIS 516 HD2 HIS 516 -9.189 -6.658 -32.196 107 HE1 HIS 516 HE1 HIS 516 -9.041 -2.409 -31.954 108 HE2 HIS 516 HE2 HIS 516 -10.485 -4.411 -32.627 109 H ILE 517 H ILE 517 -5.294 -4.134 -33.593 110 HA ILE 517 HA ILE 517 -6.190 -5.858 -35.770 111 HB ILE 517 HB ILE 517 -5.199 -2.962 -35.803 112 HG12 ILE 517 HG12 ILE 517 -7.131 -3.027 -34.396 113 HG13 ILE 517 HG13 ILE 517 -7.612 -2.368 -35.945 114 HG21 ILE 517 HG21 ILE 517 -6.667 -4.565 -37.932 115 HG22 ILE 517 HG22 ILE 517 -6.468 -2.800 -37.951 116 HG23 ILE 517 HG23 ILE 517 -5.050 -3.839 -38.044 117 HD11 ILE 517 HD11 ILE 517 -9.346 -3.857 -35.192 118 HD12 ILE 517 HD12 ILE 517 -8.547 -4.654 -36.557 119 HD13 ILE 517 HD13 ILE 517 -8.197 -5.168 -34.895 120 H CYS 518 H CYS 518 -3.196 -3.860 -35.350 121 HA CYS 518 HA CYS 518 -1.901 -5.392 -37.515 122 HB2 CYS 518 HB2 CYS 518 -0.141 -3.659 -37.302 123 HB3 CYS 518 HB3 CYS 518 -1.766 -3.004 -37.563 124 H SER 519 H SER 519 -1.678 -5.010 -33.989 125 HA SER 519 HA SER 519 -0.459 -6.132 -32.369 126 HB2 SER 519 HB2 SER 519 0.122 -8.201 -34.552 127 HB3 SER 519 HB3 SER 519 0.224 -8.421 -32.809 128 HG SER 519 HG SER 519 -1.754 -9.234 -33.685 129 H SER 520 H SER 520 0.984 -4.382 -34.618 130 HA SER 520 HA SER 520 3.776 -5.341 -34.159 131 HB2 SER 520 HB2 SER 520 4.349 -3.824 -36.032 132 HB3 SER 520 HB3 SER 520 3.106 -4.999 -36.480 133 HG SER 520 HG SER 520 2.458 -3.014 -37.243 134 H GLN 521 H GLN 521 1.569 -3.028 -32.941 135 HA GLN 521 HA GLN 521 3.578 -1.619 -31.390 136 HB2 GLN 521 HB2 GLN 521 3.325 0.610 -32.422 137 HB3 GLN 521 HB3 GLN 521 3.894 -0.524 -33.619 138 HG2 GLN 521 HG2 GLN 521 1.272 -0.761 -34.165 139 HG3 GLN 521 HG3 GLN 521 1.211 0.810 -33.366 140 HE21 GLN 521 HE21 GLN 521 2.592 -1.023 -36.114 141 HE22 GLN 521 HE22 GLN 521 2.968 0.407 -37.074 142 HA PRO 522 HA PRO 522 -0.096 -0.865 -29.024 143 HB2 PRO 522 HB2 PRO 522 0.626 1.228 -27.417 144 HB3 PRO 522 HB3 PRO 522 1.379 -0.387 -27.286 145 HG2 PRO 522 HG2 PRO 522 2.443 2.040 -28.762 146 HG3 PRO 522 HG3 PRO 522 3.312 0.968 -27.619 147 HD2 PRO 522 HD2 PRO 522 3.473 0.674 -30.325 148 HD3 PRO 522 HD3 PRO 522 3.518 -0.734 -29.223 149 H GLY 523 H GLY 523 -2.010 0.323 -29.038 150 HA2 GLY 523 HA2 GLY 523 -2.124 2.503 -31.051 151 HA3 GLY 523 HA3 GLY 523 -3.496 1.605 -30.392 152 HA PRO 524 HA PRO 524 -2.314 5.405 -27.614 153 HB2 PRO 524 HB2 PRO 524 -2.258 7.733 -29.069 154 HB3 PRO 524 HB3 PRO 524 -0.829 6.676 -28.874 155 HG2 PRO 524 HG2 PRO 524 -2.759 6.796 -31.203 156 HG3 PRO 524 HG3 PRO 524 -0.968 6.791 -31.249 157 HD2 PRO 524 HD2 PRO 524 -2.480 4.538 -31.605 158 HD3 PRO 524 HD3 PRO 524 -0.873 4.485 -30.814 159 H PHE 525 H PHE 525 -4.588 5.195 -30.319 160 HA PHE 525 HA PHE 525 -6.552 6.975 -28.991 161 HB2 PHE 525 HB2 PHE 525 -6.747 5.410 -31.601 162 HB3 PHE 525 HB3 PHE 525 -7.890 6.614 -31.028 163 HD1 PHE 525 HD2 PHE 525 -6.969 9.029 -30.590 164 HD2 PHE 525 HD1 PHE 525 -4.954 6.078 -33.003 165 HE1 PHE 525 HE2 PHE 525 -5.642 10.823 -31.681 166 HE2 PHE 525 HE1 PHE 525 -3.618 7.873 -34.076 167 HZ PHE 525 HZ PHE 525 -3.965 10.248 -33.426 168 H PHE 526 H PHE 526 -8.514 6.304 -28.156 169 HA PHE 526 HA PHE 526 -9.023 3.355 -28.074 170 HB2 PHE 526 HB2 PHE 526 -8.269 3.926 -25.871 171 HB3 PHE 526 HB3 PHE 526 -9.210 5.404 -25.841 172 HD1 PHE 526 HD2 PHE 526 -11.650 5.380 -25.427 173 HD2 PHE 526 HD1 PHE 526 -9.349 1.740 -25.401 174 HE1 PHE 526 HE2 PHE 526 -13.500 4.221 -24.260 175 HE2 PHE 526 HE1 PHE 526 -11.210 0.571 -24.254 176 HZ PHE 526 HZ PHE 526 -13.277 1.814 -23.660 177 H CYS 527 H CYS 527 -11.029 2.741 -28.673 178 HA CYS 527 HA CYS 527 -12.970 4.894 -29.385 179 HB2 CYS 527 HB2 CYS 527 -12.366 3.285 -31.142 180 HB3 CYS 527 HB3 CYS 527 -12.865 1.936 -30.113 181 H ARG 528 H ARG 528 -14.907 5.138 -28.380 182 HA ARG 528 HA ARG 528 -15.275 3.600 -25.875 183 HB2 ARG 528 HB2 ARG 528 -17.025 5.432 -25.447 184 HB3 ARG 528 HB3 ARG 528 -15.351 5.917 -25.559 185 HG2 ARG 528 HG2 ARG 528 -16.732 7.566 -26.621 186 HG3 ARG 528 HG3 ARG 528 -15.671 6.823 -27.802 187 HD2 ARG 528 HD2 ARG 528 -17.602 5.432 -28.600 188 HD3 ARG 528 HD3 ARG 528 -18.649 6.267 -27.435 189 HE ARG 528 HE ARG 528 -17.363 8.220 -29.040 190 HH11 ARG 528 HH21 ARG 528 -19.706 5.596 -29.571 191 HH12 ARG 528 HH22 ARG 528 -20.367 6.369 -30.975 192 HH21 ARG 528 HH11 ARG 528 -18.254 9.122 -30.842 193 HH22 ARG 528 HH12 ARG 528 -19.536 8.328 -31.726 194 H ASP 529 H ASP 529 -16.424 3.234 -29.022 195 HA ASP 529 HA ASP 529 -19.239 2.743 -28.464 196 HB2 ASP 529 HB2 ASP 529 -18.162 3.404 -30.721 197 HB3 ASP 529 HB3 ASP 529 -17.670 1.700 -30.845 198 H GLN 530 H GLN 530 -20.338 0.745 -28.381 199 HA GLN 530 HA GLN 530 -19.007 -1.348 -26.944 200 HB2 GLN 530 HB2 GLN 530 -21.123 -2.553 -27.146 201 HB3 GLN 530 HB3 GLN 530 -21.403 -0.872 -26.711 202 HG2 GLN 530 HG2 GLN 530 -22.060 -0.375 -29.073 203 HG3 GLN 530 HG3 GLN 530 -21.768 -2.064 -29.505 204 HE21 GLN 530 HE21 GLN 530 -23.815 0.019 -27.352 205 HE22 GLN 530 HE22 GLN 530 -25.144 -1.129 -27.323 206 H VAL 531 H VAL 531 -19.418 -0.740 -30.399 207 HA VAL 531 HA VAL 531 -19.065 -3.469 -31.335 208 HB VAL 531 HB VAL 531 -18.612 -0.736 -32.561 209 HG11 VAL 531 HG11 VAL 531 -18.174 -3.398 -33.944 210 HG12 VAL 531 HG12 VAL 531 -18.427 -1.856 -34.787 211 HG13 VAL 531 HG13 VAL 531 -17.018 -2.050 -33.743 212 HG21 VAL 531 HG21 VAL 531 -20.987 -1.431 -32.298 213 HG22 VAL 531 HG22 VAL 531 -20.504 -1.288 -34.006 214 HG23 VAL 531 HG23 VAL 531 -20.646 -2.892 -33.254 215 H CYS 532 H CYS 532 -16.812 -0.855 -30.430 216 HA CYS 532 HA CYS 532 -14.491 -2.569 -31.219 217 HB2 CYS 532 HB2 CYS 532 -14.729 0.417 -30.729 218 HB3 CYS 532 HB3 CYS 532 -13.227 -0.411 -31.148 219 H PHE 533 H PHE 533 -14.826 0.104 -28.824 220 HA PHE 533 HA PHE 533 -14.018 0.316 -26.674 221 HB2 PHE 533 HB2 PHE 533 -15.985 -1.441 -26.589 222 HB3 PHE 533 HB3 PHE 533 -14.744 -2.587 -26.156 223 HD1 PHE 533 HD1 PHE 533 -15.843 0.960 -25.320 224 HD2 PHE 533 HD2 PHE 533 -14.391 -2.825 -23.807 225 HE1 PHE 533 HE1 PHE 533 -16.116 1.772 -22.999 226 HE2 PHE 533 HE2 PHE 533 -14.638 -1.981 -21.487 227 HZ PHE 533 HZ PHE 533 -15.508 0.313 -21.078 228 H LYS 534 H LYS 534 -11.909 -0.023 -28.352 229 HA LYS 534 HA LYS 534 -9.951 -1.551 -26.744 230 HB2 LYS 534 HB2 LYS 534 -11.180 -2.894 -28.839 231 HB3 LYS 534 HB3 LYS 534 -9.847 -2.157 -29.670 232 HG2 LYS 534 HG2 LYS 534 -9.152 -4.340 -29.023 233 HG3 LYS 534 HG3 LYS 534 -8.274 -3.210 -28.008 234 HD2 LYS 534 HD2 LYS 534 -8.875 -4.983 -26.620 235 HD3 LYS 534 HD3 LYS 534 -9.979 -3.708 -26.150 236 HE2 LYS 534 HE2 LYS 534 -10.707 -5.933 -28.130 237 HE3 LYS 534 HE3 LYS 534 -10.861 -6.116 -26.384 238 HZ1 LYS 534 HZ1 LYS 534 -12.342 -4.126 -26.426 239 HZ2 LYS 534 HZ2 LYS 534 -12.959 -5.443 -27.187 240 HZ3 LYS 534 HZ3 LYS 534 -12.375 -4.191 -28.051 241 H TYR 535 H TYR 535 -7.692 -1.405 -27.977 242 HA TYR 535 HA TYR 535 -7.230 1.474 -28.480 243 HB2 TYR 535 HB2 TYR 535 -5.405 -0.924 -28.068 244 HB3 TYR 535 HB3 TYR 535 -4.803 0.641 -28.561 245 HD1 TYR 535 HD1 TYR 535 -7.533 0.850 -26.119 246 HD2 TYR 535 HD2 TYR 535 -3.283 0.388 -26.624 247 HE1 TYR 535 HE1 TYR 535 -7.200 1.504 -23.768 248 HE2 TYR 535 HE2 TYR 535 -2.928 1.035 -24.258 249 HH TYR 535 HH TYR 535 -5.666 1.890 -22.083 250 H PHE 536 H PHE 536 -6.252 2.340 -30.348 251 HA PHE 536 HA PHE 536 -5.776 0.534 -32.662 252 HB2 PHE 536 HB2 PHE 536 -7.662 2.910 -32.715 253 HB3 PHE 536 HB3 PHE 536 -7.116 2.057 -34.138 254 HD1 PHE 536 HD2 PHE 536 -9.312 1.901 -31.176 255 HD2 PHE 536 HD1 PHE 536 -8.068 -0.086 -34.795 256 HE1 PHE 536 HE2 PHE 536 -11.263 0.401 -31.021 257 HE2 PHE 536 HE1 PHE 536 -10.052 -1.567 -34.663 258 HZ PHE 536 HZ PHE 536 -11.662 -1.330 -32.782 259 H CYS 537 H CYS 537 -4.429 1.421 -34.268 260 HA CYS 537 HA CYS 537 -2.856 3.816 -33.499 261 HB2 CYS 537 HB2 CYS 537 -2.525 2.184 -36.039 262 HB3 CYS 537 HB3 CYS 537 -1.339 3.186 -35.208 263 H ARG 538 H ARG 538 -2.375 5.375 -35.436 264 HA ARG 538 HA ARG 538 -4.779 6.708 -36.155 265 HB2 ARG 538 HB2 ARG 538 -2.465 7.700 -36.107 266 HB3 ARG 538 HB3 ARG 538 -2.087 6.852 -37.608 267 HG2 ARG 538 HG2 ARG 538 -3.875 8.113 -38.783 268 HG3 ARG 538 HG3 ARG 538 -4.372 8.851 -37.253 269 HD2 ARG 538 HD2 ARG 538 -3.075 10.460 -38.472 270 HD3 ARG 538 HD3 ARG 538 -2.134 9.932 -37.067 271 HE ARG 538 HE ARG 538 -1.522 8.368 -39.432 272 HH11 ARG 538 HH11 ARG 538 -0.804 11.518 -37.988 273 HH12 ARG 538 HH12 ARG 538 0.713 11.656 -38.826 274 HH21 ARG 538 HH21 ARG 538 0.451 8.603 -40.470 275 HH22 ARG 538 HH22 ARG 538 1.407 10.032 -40.213 276 H SER 539 H SER 539 -2.727 4.483 -38.114 277 HA SER 539 HA SER 539 -4.369 4.640 -40.488 278 HB2 SER 539 HB2 SER 539 -3.074 2.509 -41.089 279 HB3 SER 539 HB3 SER 539 -2.111 3.960 -40.767 280 HG SER 539 HG SER 539 -1.272 2.090 -39.688 281 H CYS 540 H CYS 540 -4.145 2.260 -37.791 282 HA CYS 540 HA CYS 540 -6.061 0.416 -38.832 283 HB2 CYS 540 HB2 CYS 540 -5.425 0.982 -35.917 284 HB3 CYS 540 HB3 CYS 540 -6.098 -0.509 -36.567 285 H TRP 541 H TRP 541 -6.417 3.314 -36.777 286 HA TRP 541 HA TRP 541 -9.171 2.939 -36.101 287 HB2 TRP 541 HB2 TRP 541 -7.695 4.526 -34.925 288 HB3 TRP 541 HB3 TRP 541 -7.489 5.478 -36.387 289 HD1 TRP 541 HD1 TRP 541 -9.708 6.785 -37.281 290 HE1 TRP 541 HE1 TRP 541 -11.810 7.659 -36.076 291 HE3 TRP 541 HE3 TRP 541 -8.973 4.612 -32.728 292 HZ2 TRP 541 HZ2 TRP 541 -13.180 7.128 -33.547 293 HZ3 TRP 541 HZ3 TRP 541 -10.620 4.882 -30.920 294 HH2 TRP 541 HH2 TRP 541 -12.764 6.073 -31.335 295 H HIS 542 H HIS 542 -7.580 4.830 -38.729 296 HA HIS 542 HA HIS 542 -9.967 5.752 -39.974 297 HB2 HIS 542 HB2 HIS 542 -7.216 5.115 -41.134 298 HB3 HIS 542 HB3 HIS 542 -8.502 5.930 -42.024 299 HD2 HIS 542 HD2 HIS 542 -5.732 7.363 -41.537 300 HE1 HIS 542 HE1 HIS 542 -7.863 9.867 -38.833 301 HE2 HIS 542 HE2 HIS 542 -5.752 9.655 -40.245 302 H TRP 543 H TRP 543 -8.063 2.730 -40.450 303 HA TRP 543 HA TRP 543 -9.594 1.702 -42.639 304 HB2 TRP 543 HB2 TRP 543 -7.435 0.777 -42.119 305 HB3 TRP 543 HB3 TRP 543 -7.906 0.401 -40.474 306 HD1 TRP 543 HD1 TRP 543 -8.372 -0.875 -44.048 307 HE1 TRP 543 HE1 TRP 543 -9.106 -3.333 -43.985 308 HE3 TRP 543 HE3 TRP 543 -9.088 -1.376 -39.000 309 HZ2 TRP 543 HZ2 TRP 543 -9.910 -5.272 -41.993 310 HZ3 TRP 543 HZ3 TRP 543 -9.891 -3.521 -38.055 311 HH2 TRP 543 HH2 TRP 543 -10.283 -5.480 -39.532 312 H ARG 544 H ARG 544 -9.946 1.307 -39.068 313 HA ARG 544 HA ARG 544 -12.035 -0.669 -39.274 314 HB2 ARG 544 HB2 ARG 544 -10.564 -0.465 -37.305 315 HB3 ARG 544 HB3 ARG 544 -11.195 1.147 -36.962 316 HG2 ARG 544 HG2 ARG 544 -12.152 -0.558 -35.474 317 HG3 ARG 544 HG3 ARG 544 -13.404 0.225 -36.425 318 HD2 ARG 544 HD2 ARG 544 -13.562 -1.695 -37.916 319 HD3 ARG 544 HD3 ARG 544 -12.155 -2.461 -37.149 320 HE ARG 544 HE ARG 544 -13.911 -2.075 -35.062 321 HH11 ARG 544 HH21 ARG 544 -14.273 -3.714 -38.175 322 HH12 ARG 544 HH22 ARG 544 -15.352 -4.910 -37.527 323 HH21 ARG 544 HH11 ARG 544 -15.303 -3.671 -34.282 324 HH22 ARG 544 HH12 ARG 544 -15.934 -4.873 -35.360 325 H HIS 545 H HIS 545 -12.099 2.846 -38.517 326 HA HIS 545 HA HIS 545 -14.989 2.753 -38.100 327 HB2 HIS 545 HB2 HIS 545 -13.005 5.081 -38.113 328 HB3 HIS 545 HB3 HIS 545 -14.697 5.168 -37.582 329 HD1 HIS 545 HD1 HIS 545 -11.328 4.073 -36.277 330 HD2 HIS 545 HD2 HIS 545 -15.370 3.272 -35.612 331 HE1 HIS 545 HE1 HIS 545 -11.450 2.912 -34.001 332 H SER 546 H SER 546 -13.030 3.216 -40.910 333 HA SER 546 HA SER 546 -14.788 4.976 -42.410 334 HB2 SER 546 HB2 SER 546 -12.453 4.497 -43.074 335 HB3 SER 546 HB3 SER 546 -12.908 2.792 -43.366 336 HG SER 546 HG SER 546 -12.889 4.099 -45.300 337 H MET 547 H MET 547 -14.746 1.512 -41.664 338 HA MET 547 HA MET 547 -16.488 0.462 -43.603 339 HB2 MET 547 HB2 MET 547 -16.354 -0.229 -40.632 340 HB3 MET 547 HB3 MET 547 -17.072 -1.237 -41.889 341 HG2 MET 547 HG2 MET 547 -14.878 -1.485 -42.984 342 HG3 MET 547 HG3 MET 547 -14.136 -0.435 -41.775 343 HE1 MET 547 HE1 MET 547 -12.539 -3.823 -40.864 344 HE2 MET 547 HE2 MET 547 -12.907 -3.180 -42.476 345 HE3 MET 547 HE3 MET 547 -12.267 -2.105 -41.215 346 H GLU 548 H GLU 548 -18.637 0.549 -44.013 347 HA GLU 548 HA GLU 548 -20.258 2.623 -42.972 348 HB2 GLU 548 HB2 GLU 548 -21.015 0.029 -44.393 349 HB3 GLU 548 HB3 GLU 548 -22.145 1.348 -44.053 350 HG2 GLU 548 HG2 GLU 548 -20.737 2.909 -45.377 351 HG3 GLU 548 HG3 GLU 548 -19.632 1.587 -45.766 352 H GLY 549 H GLY 549 -21.633 2.810 -41.272 353 HA2 GLY 549 HA2 GLY 549 -23.182 1.915 -39.658 354 HA3 GLY 549 HA3 GLY 549 -22.341 0.355 -39.725 355 H LEU 550 H LEU 550 -19.677 1.986 -39.602 356 HA LEU 550 HA LEU 550 -19.720 2.442 -36.627 357 HB2 LEU 550 HB2 LEU 550 -17.510 1.491 -38.495 358 HB3 LEU 550 HB3 LEU 550 -17.229 2.095 -36.865 359 HG LEU 550 HG LEU 550 -18.640 0.301 -35.917 360 HD11 LEU 550 HD11 LEU 550 -18.480 -0.927 -38.694 361 HD12 LEU 550 HD12 LEU 550 -19.960 -0.464 -37.811 362 HD13 LEU 550 HD13 LEU 550 -18.962 -1.766 -37.192 363 HD21 LEU 550 HD21 LEU 550 -16.250 0.239 -35.805 364 HD22 LEU 550 HD22 LEU 550 -16.103 -0.273 -37.498 365 HD23 LEU 550 HD23 LEU 550 -16.761 -1.389 -36.281 366 H ARG 551 H ARG 551 -19.921 4.216 -39.369 367 HA ARG 551 HA ARG 551 -17.704 6.035 -39.189 368 HB2 ARG 551 HB2 ARG 551 -20.451 6.401 -40.483 369 HB3 ARG 551 HB3 ARG 551 -19.039 7.440 -40.746 370 HG2 ARG 551 HG2 ARG 551 -17.758 5.422 -41.568 371 HG3 ARG 551 HG3 ARG 551 -19.239 4.472 -41.425 372 HD2 ARG 551 HD2 ARG 551 -19.032 5.048 -43.709 373 HD3 ARG 551 HD3 ARG 551 -20.339 6.030 -43.056 374 HE ARG 551 HE ARG 551 -19.073 7.963 -43.352 375 HH11 ARG 551 HH21 ARG 551 -16.935 5.190 -44.046 376 HH12 ARG 551 HH22 ARG 551 -15.768 6.206 -44.830 377 HH21 ARG 551 HH12 ARG 551 -17.482 9.183 -44.324 378 HH22 ARG 551 HH11 ARG 551 -16.053 8.424 -44.954 379 H HIS 552 H HIS 552 -20.285 5.658 -37.047 380 HA HIS 552 HA HIS 552 -20.516 8.532 -36.333 381 HB2 HIS 552 HB2 HIS 552 -22.284 7.790 -34.818 382 HB3 HIS 552 HB3 HIS 552 -22.554 7.120 -36.423 383 HD2 HIS 552 HD2 HIS 552 -21.962 6.098 -32.823 384 HE1 HIS 552 HE1 HIS 552 -21.617 2.479 -35.012 385 HE2 HIS 552 HE2 HIS 552 -21.762 3.492 -32.668 386 H HIS 553 H HIS 553 -18.301 6.127 -35.678 387 HA HIS 553 HA HIS 553 -18.082 6.336 -32.782 388 HB2 HIS 553 HB2 HIS 553 -16.197 5.284 -34.912 389 HB3 HIS 553 HB3 HIS 553 -15.874 5.167 -33.191 390 HD2 HIS 553 HD2 HIS 553 -19.458 4.386 -34.247 391 HE1 HIS 553 HE1 HIS 553 -17.531 0.643 -33.657 392 HE2 HIS 553 HE2 HIS 553 -19.780 1.779 -34.063 393 H SER 554 H SER 554 -16.322 7.263 -31.575 394 HA SER 554 HA SER 554 -14.513 9.146 -32.943 395 HB2 SER 554 HB2 SER 554 -15.106 11.038 -31.459 396 HB3 SER 554 HB3 SER 554 -16.453 10.580 -32.506 397 HG SER 554 HG SER 554 -16.894 10.996 -30.171 398 HA PRO 555 HA PRO 555 -11.959 7.717 -29.590 399 HB2 PRO 555 HB2 PRO 555 -9.811 9.373 -29.803 400 HB3 PRO 555 HB3 PRO 555 -10.245 8.235 -31.112 401 HG2 PRO 555 HG2 PRO 555 -10.915 11.189 -30.914 402 HG3 PRO 555 HG3 PRO 555 -10.228 10.302 -32.310 403 HD2 PRO 555 HD2 PRO 555 -12.920 10.858 -32.023 404 HD3 PRO 555 HD3 PRO 555 -12.303 9.413 -32.888 405 H LEU 556 H LEU 556 -11.053 8.347 -27.482 406 HA LEU 556 HA LEU 556 -12.632 10.458 -26.173 407 HB2 LEU 556 HB2 LEU 556 -11.608 9.641 -24.108 408 HB3 LEU 556 HB3 LEU 556 -12.327 8.355 -25.045 409 HG LEU 556 HG LEU 556 -10.111 7.523 -25.703 410 HD11 LEU 556 HD11 LEU 556 -8.571 9.349 -25.655 411 HD12 LEU 556 HD12 LEU 556 -8.115 8.346 -24.292 412 HD13 LEU 556 HD13 LEU 556 -9.061 9.827 -24.008 413 HD21 LEU 556 HD21 LEU 556 -9.559 6.615 -23.498 414 HD22 LEU 556 HD22 LEU 556 -11.317 6.777 -23.617 415 HD23 LEU 556 HD23 LEU 556 -10.386 7.966 -22.693 416 H MET 557 H MET 557 -11.423 11.907 -24.542 417 HA MET 557 HA MET 557 -8.797 12.859 -25.593 418 HB2 MET 557 HB2 MET 557 -11.169 14.703 -25.004 419 HB3 MET 557 HB3 MET 557 -9.538 15.195 -25.442 420 HG2 MET 557 HG2 MET 557 -10.543 15.418 -27.460 421 HG3 MET 557 HG3 MET 557 -9.953 13.768 -27.614 422 HE1 MET 557 HE1 MET 557 -12.058 14.957 -29.576 423 HE2 MET 557 HE2 MET 557 -11.509 13.264 -29.612 424 HE3 MET 557 HE3 MET 557 -13.242 13.635 -29.665 425 H ARG 558 H ARG 558 -7.444 13.783 -24.044 426 HA ARG 558 HA ARG 558 -8.042 13.121 -21.253 427 HB2 ARG 558 HB2 ARG 558 -5.779 12.864 -22.285 428 HB3 ARG 558 HB3 ARG 558 -5.670 14.618 -22.469 429 HG2 ARG 558 HG2 ARG 558 -5.749 14.892 -19.999 430 HG3 ARG 558 HG3 ARG 558 -6.015 13.152 -19.808 431 HD2 ARG 558 HD2 ARG 558 -3.710 13.637 -19.323 432 HD3 ARG 558 HD3 ARG 558 -3.790 12.716 -20.833 433 HE ARG 558 HE ARG 558 -3.787 15.570 -21.322 434 HH11 ARG 558 HH11 ARG 558 -1.555 12.959 -20.476 435 HH12 ARG 558 HH12 ARG 558 -0.188 13.780 -21.168 436 HH21 ARG 558 HH21 ARG 558 -1.985 16.571 -22.206 437 HH22 ARG 558 HH22 ARG 558 -0.431 15.800 -22.125 438 H ASN 559 H ASN 559 -8.487 14.509 -19.573 439 HA ASN 559 HA ASN 559 -8.390 17.429 -19.974 440 HB2 ASN 559 HB2 ASN 559 -10.630 16.786 -20.882 441 HB3 ASN 559 HB3 ASN 559 -11.014 15.988 -19.360 442 HD21 ASN 559 HD21 ASN 559 -12.906 17.450 -19.280 443 HD22 ASN 559 HD22 ASN 559 -12.677 19.100 -18.724 444 H GLN 560 H GLN 560 -7.630 18.315 -18.144 445 HA GLN 560 HA GLN 560 -8.368 17.163 -15.505 446 HB2 GLN 560 HB2 GLN 560 -5.514 17.453 -16.552 447 HB3 GLN 560 HB3 GLN 560 -5.905 17.351 -14.839 448 HG2 GLN 560 HG2 GLN 560 -6.903 15.118 -15.158 449 HG3 GLN 560 HG3 GLN 560 -6.531 15.189 -16.888 450 HE21 GLN 560 HE21 GLN 560 -4.729 15.646 -13.724 451 HE22 GLN 560 HE22 GLN 560 -3.337 14.738 -14.299 452 H LYS 561 H LYS 561 -8.289 18.649 -13.807 453 HA LYS 561 HA LYS 561 -8.189 21.497 -14.585 454 HB2 LYS 561 HB2 LYS 561 -8.760 20.109 -11.921 455 HB3 LYS 561 HB3 LYS 561 -8.859 21.855 -12.192 456 HG2 LYS 561 HG2 LYS 561 -10.600 21.501 -13.925 457 HG3 LYS 561 HG3 LYS 561 -10.552 19.754 -13.617 458 HD2 LYS 561 HD2 LYS 561 -11.175 20.162 -11.244 459 HD3 LYS 561 HD3 LYS 561 -11.299 21.894 -11.567 460 HE2 LYS 561 HE2 LYS 561 -12.945 19.723 -12.958 461 HE3 LYS 561 HE3 LYS 561 -13.491 20.645 -11.555 462 HZ1 LYS 561 HZ1 LYS 561 -14.330 21.618 -13.590 463 HZ2 LYS 561 HZ2 LYS 561 -12.830 21.820 -14.198 464 HZ3 LYS 561 HZ3 LYS 561 -13.305 22.674 -12.883 465 H ASN 562 H ASN 562 -5.967 19.148 -13.423 466 HA ASN 562 HA ASN 562 -4.347 20.645 -11.634 467 HB2 ASN 562 HB2 ASN 562 -3.475 18.488 -13.613 468 HB3 ASN 562 HB3 ASN 562 -2.591 19.001 -12.176 469 HD21 ASN 562 HD21 ASN 562 -3.670 18.584 -10.008 470 HD22 ASN 562 HD22 ASN 562 -4.741 17.198 -9.905 471 H ARG 563 H ARG 563 -2.828 22.207 -11.889 472 HA ARG 563 HA ARG 563 -2.534 23.484 -14.507 473 HB2 ARG 563 HB2 ARG 563 -1.136 24.066 -11.856 474 HB3 ARG 563 HB3 ARG 563 -1.137 25.104 -13.279 475 HG2 ARG 563 HG2 ARG 563 -3.526 24.439 -11.507 476 HG3 ARG 563 HG3 ARG 563 -2.676 25.976 -11.653 477 HD2 ARG 563 HD2 ARG 563 -3.383 26.001 -14.113 478 HD3 ARG 563 HD3 ARG 563 -4.451 24.643 -13.742 479 HE ARG 563 HE ARG 563 -4.696 27.458 -12.887 480 HH11 ARG 563 HH11 ARG 563 -6.102 24.199 -12.477 481 HH12 ARG 563 HH12 ARG 563 -7.511 24.852 -11.705 482 HH21 ARG 563 HH21 ARG 563 -6.561 28.174 -11.928 483 HH22 ARG 563 HH22 ARG 563 -7.782 27.048 -11.423 484 H ASP 564 H ASP 564 -0.544 23.839 -15.624 485 HA ASP 564 HA ASP 564 1.220 21.521 -15.672 486 HB2 ASP 564 HB2 ASP 564 0.564 22.790 -17.707 487 HB3 ASP 564 HB3 ASP 564 1.409 24.213 -17.099 488 H SER 565 H SER 565 1.374 24.819 -14.347 489 HA SER 565 HA SER 565 4.232 24.575 -13.640 490 HB2 SER 565 HB2 SER 565 3.816 26.834 -12.574 491 HB3 SER 565 HB3 SER 565 3.503 26.757 -14.313 492 HG SER 565 HG SER 565 1.834 27.873 -13.169 493 H SER 566 H SER 566 5.000 24.744 -11.424 494 HA SER 566 HA SER 566 3.657 22.964 -9.612 495 HB2 SER 566 HB2 SER 566 5.918 24.944 -9.069 496 HB3 SER 566 HB3 SER 566 5.450 23.584 -8.032 497 HG SER 566 HG SER 566 7.235 23.065 -9.404 Start of MODEL 18 1 H1 GLY 502 H1 GLY 502 8.644 -5.083 -5.239 2 H2 GLY 502 H2 GLY 502 8.916 -4.439 -6.694 3 H3 GLY 502 H3 GLY 502 8.233 -5.888 -6.576 4 HA2 GLY 502 HA2 GLY 502 6.174 -4.940 -5.680 5 HA3 GLY 502 HA3 GLY 502 6.929 -3.338 -5.799 6 HA PRO 503 HA PRO 503 4.665 -4.437 -9.800 7 HB2 PRO 503 HB2 PRO 503 2.570 -2.672 -9.667 8 HB3 PRO 503 HB3 PRO 503 2.551 -4.249 -8.825 9 HG2 PRO 503 HG2 PRO 503 3.274 -1.533 -7.671 10 HG3 PRO 503 HG3 PRO 503 2.133 -2.747 -7.008 11 HD2 PRO 503 HD2 PRO 503 4.725 -2.552 -6.155 12 HD3 PRO 503 HD3 PRO 503 3.890 -4.134 -6.271 13 H VAL 504 H VAL 504 4.349 -3.015 -11.721 14 HA VAL 504 HA VAL 504 6.421 -0.942 -11.857 15 HB VAL 504 HB VAL 504 5.706 -0.736 -14.220 16 HG11 VAL 504 HG11 VAL 504 7.382 -2.419 -13.544 17 HG12 VAL 504 HG12 VAL 504 6.098 -3.638 -13.379 18 HG13 VAL 504 HG13 VAL 504 6.456 -2.927 -14.965 19 HG21 VAL 504 HG21 VAL 504 3.619 -2.885 -13.632 20 HG22 VAL 504 HG22 VAL 504 3.286 -1.195 -14.072 21 HG23 VAL 504 HG23 VAL 504 4.073 -2.267 -15.230 22 H GLN 505 H GLN 505 6.100 1.268 -12.457 23 HA GLN 505 HA GLN 505 3.722 2.469 -11.220 24 HB2 GLN 505 HB2 GLN 505 6.019 3.399 -10.917 25 HB3 GLN 505 HB3 GLN 505 6.100 3.762 -12.644 26 HG2 GLN 505 HG2 GLN 505 4.177 5.327 -12.400 27 HG3 GLN 505 HG3 GLN 505 4.049 4.907 -10.687 28 HE21 GLN 505 HE21 GLN 505 6.347 6.331 -13.111 29 HE22 GLN 505 HE22 GLN 505 7.144 7.357 -11.928 30 H ILE 506 H ILE 506 1.868 2.754 -12.308 31 HA ILE 506 HA ILE 506 1.826 3.970 -14.963 32 HB ILE 506 HB ILE 506 2.284 1.580 -15.522 33 HG12 ILE 506 HG12 ILE 506 0.548 1.145 -17.141 34 HG13 ILE 506 HG13 ILE 506 -0.528 2.316 -16.399 35 HG21 ILE 506 HG21 ILE 506 1.175 0.491 -13.583 36 HG22 ILE 506 HG22 ILE 506 -0.408 0.894 -14.284 37 HG23 ILE 506 HG23 ILE 506 0.696 -0.199 -15.136 38 HD11 ILE 506 HD11 ILE 506 0.590 3.165 -18.450 39 HD12 ILE 506 HD12 ILE 506 0.999 4.155 -17.044 40 HD13 ILE 506 HD13 ILE 506 2.171 2.969 -17.669 41 H ASP 507 H ASP 507 -0.285 4.689 -15.567 42 HA ASP 507 HA ASP 507 -2.031 5.266 -13.330 43 HB2 ASP 507 HB2 ASP 507 -2.359 5.665 -16.337 44 HB3 ASP 507 HB3 ASP 507 -3.495 6.260 -15.134 45 HA PRO 508 HA PRO 508 -4.664 1.692 -13.565 46 HB2 PRO 508 HB2 PRO 508 -6.907 2.619 -12.280 47 HB3 PRO 508 HB3 PRO 508 -5.352 2.347 -11.440 48 HG2 PRO 508 HG2 PRO 508 -6.441 4.961 -12.534 49 HG3 PRO 508 HG3 PRO 508 -5.774 4.640 -10.901 50 HD2 PRO 508 HD2 PRO 508 -4.260 5.721 -12.892 51 HD3 PRO 508 HD3 PRO 508 -3.560 4.559 -11.719 52 H TYR 509 H TYR 509 -5.466 4.728 -15.083 53 HA TYR 509 HA TYR 509 -7.915 3.748 -16.381 54 HB2 TYR 509 HB2 TYR 509 -6.347 6.277 -16.988 55 HB3 TYR 509 HB3 TYR 509 -8.038 5.954 -17.351 56 HD1 TYR 509 HD2 TYR 509 -9.602 5.473 -15.263 57 HD2 TYR 509 HD1 TYR 509 -5.787 7.475 -15.037 58 HE1 TYR 509 HE2 TYR 509 -10.246 6.455 -13.066 59 HE2 TYR 509 HE1 TYR 509 -6.424 8.453 -12.846 60 HH TYR 509 HH TYR 509 -8.045 8.611 -11.219 61 H LEU 510 H LEU 510 -4.668 3.156 -16.901 62 HA LEU 510 HA LEU 510 -5.054 2.804 -19.857 63 HB2 LEU 510 HB2 LEU 510 -2.531 3.694 -18.397 64 HB3 LEU 510 HB3 LEU 510 -2.616 3.324 -20.115 65 HG LEU 510 HG LEU 510 -4.141 5.598 -18.772 66 HD11 LEU 510 HD11 LEU 510 -2.486 7.062 -19.852 67 HD12 LEU 510 HD12 LEU 510 -1.617 5.644 -20.483 68 HD13 LEU 510 HD13 LEU 510 -1.693 5.943 -18.733 69 HD21 LEU 510 HD21 LEU 510 -3.736 4.909 -21.724 70 HD22 LEU 510 HD22 LEU 510 -4.504 6.387 -21.102 71 HD23 LEU 510 HD23 LEU 510 -5.270 4.820 -20.838 72 H GLU 511 H GLU 511 -3.420 1.220 -20.780 73 HA GLU 511 HA GLU 511 -2.262 -0.746 -18.957 74 HB2 GLU 511 HB2 GLU 511 -4.739 -1.357 -19.118 75 HB3 GLU 511 HB3 GLU 511 -4.492 -1.682 -20.829 76 HG2 GLU 511 HG2 GLU 511 -3.014 -3.530 -20.332 77 HG3 GLU 511 HG3 GLU 511 -2.861 -3.040 -18.641 78 H ASP 512 H ASP 512 -0.975 -2.368 -20.125 79 HA ASP 512 HA ASP 512 0.249 -1.229 -22.529 80 HB2 ASP 512 HB2 ASP 512 1.529 -2.328 -20.669 81 HB3 ASP 512 HB3 ASP 512 0.803 -3.871 -21.095 82 H SER 513 H SER 513 -2.287 -1.645 -23.316 83 HA SER 513 HA SER 513 -2.702 -4.327 -24.413 84 HB2 SER 513 HB2 SER 513 -4.236 -1.729 -24.777 85 HB3 SER 513 HB3 SER 513 -4.760 -3.307 -25.379 86 HG SER 513 HG SER 513 -5.722 -2.812 -23.349 87 H LEU 514 H LEU 514 -1.949 -5.067 -26.299 88 HA LEU 514 HA LEU 514 -0.652 -3.306 -28.234 89 HB2 LEU 514 HB2 LEU 514 0.178 -5.588 -27.740 90 HB3 LEU 514 HB3 LEU 514 -1.346 -6.271 -28.291 91 HG LEU 514 HG LEU 514 -0.856 -5.479 -30.606 92 HD11 LEU 514 HD11 LEU 514 1.924 -4.806 -29.537 93 HD12 LEU 514 HD12 LEU 514 0.701 -3.599 -29.956 94 HD13 LEU 514 HD13 LEU 514 1.340 -4.652 -31.214 95 HD21 LEU 514 HD21 LEU 514 0.903 -7.168 -31.043 96 HD22 LEU 514 HD22 LEU 514 -0.315 -7.766 -29.906 97 HD23 LEU 514 HD23 LEU 514 1.272 -7.232 -29.309 98 H CYS 515 H CYS 515 -1.366 -2.738 -30.301 99 HA CYS 515 HA CYS 515 -4.231 -2.627 -30.772 100 HB2 CYS 515 HB2 CYS 515 -2.589 -0.929 -31.612 101 HB3 CYS 515 HB3 CYS 515 -1.899 -2.167 -32.658 102 H HIS 516 H HIS 516 -5.452 -4.303 -31.401 103 HA HIS 516 HA HIS 516 -4.304 -6.799 -32.200 104 HB2 HIS 516 HB2 HIS 516 -7.193 -5.820 -32.311 105 HB3 HIS 516 HB3 HIS 516 -6.686 -7.502 -32.493 106 HD2 HIS 516 HD2 HIS 516 -5.659 -8.754 -30.308 107 HE1 HIS 516 HE1 HIS 516 -6.877 -5.841 -27.454 108 HE2 HIS 516 HE2 HIS 516 -5.957 -8.199 -27.755 109 H ILE 517 H ILE 517 -5.133 -4.025 -34.105 110 HA ILE 517 HA ILE 517 -5.813 -5.432 -36.570 111 HB ILE 517 HB ILE 517 -4.953 -2.547 -36.061 112 HG12 ILE 517 HG12 ILE 517 -7.017 -2.925 -34.911 113 HG13 ILE 517 HG13 ILE 517 -7.358 -2.006 -36.366 114 HG21 ILE 517 HG21 ILE 517 -6.018 -2.080 -38.295 115 HG22 ILE 517 HG22 ILE 517 -4.510 -2.988 -38.375 116 HG23 ILE 517 HG23 ILE 517 -6.063 -3.831 -38.584 117 HD11 ILE 517 HD11 ILE 517 -9.096 -3.635 -36.086 118 HD12 ILE 517 HD12 ILE 517 -8.121 -4.154 -37.473 119 HD13 ILE 517 HD13 ILE 517 -7.937 -4.958 -35.896 120 H CYS 518 H CYS 518 -2.931 -3.459 -35.610 121 HA CYS 518 HA CYS 518 -1.412 -4.583 -37.873 122 HB2 CYS 518 HB2 CYS 518 0.300 -2.944 -37.184 123 HB3 CYS 518 HB3 CYS 518 -1.295 -2.225 -37.444 124 H SER 519 H SER 519 -1.598 -4.928 -34.352 125 HA SER 519 HA SER 519 -0.554 -6.365 -32.872 126 HB2 SER 519 HB2 SER 519 0.194 -7.958 -35.381 127 HB3 SER 519 HB3 SER 519 0.179 -8.548 -33.721 128 HG SER 519 HG SER 519 -1.747 -9.095 -34.877 129 H SER 520 H SER 520 1.078 -4.146 -34.269 130 HA SER 520 HA SER 520 3.818 -5.250 -33.717 131 HB2 SER 520 HB2 SER 520 4.629 -3.519 -35.300 132 HB3 SER 520 HB3 SER 520 3.504 -4.656 -36.061 133 HG SER 520 HG SER 520 3.066 -2.435 -36.598 134 H GLN 521 H GLN 521 1.486 -2.722 -32.934 135 HA GLN 521 HA GLN 521 3.287 -1.622 -30.864 136 HB2 GLN 521 HB2 GLN 521 2.164 0.042 -33.160 137 HB3 GLN 521 HB3 GLN 521 2.828 0.745 -31.706 138 HG2 GLN 521 HG2 GLN 521 4.380 -0.867 -33.768 139 HG3 GLN 521 HG3 GLN 521 4.388 0.870 -33.572 140 HE21 GLN 521 HE21 GLN 521 6.831 -0.398 -33.540 141 HE22 GLN 521 HE22 GLN 521 7.464 -0.380 -31.901 142 HA PRO 522 HA PRO 522 -0.684 -1.030 -28.898 143 HB2 PRO 522 HB2 PRO 522 -0.082 0.777 -26.941 144 HB3 PRO 522 HB3 PRO 522 0.573 -0.886 -26.935 145 HG2 PRO 522 HG2 PRO 522 1.939 1.642 -27.904 146 HG3 PRO 522 HG3 PRO 522 2.596 0.370 -26.829 147 HD2 PRO 522 HD2 PRO 522 3.077 0.460 -29.531 148 HD3 PRO 522 HD3 PRO 522 2.978 -1.083 -28.628 149 H GLY 523 H GLY 523 -2.496 0.321 -29.026 150 HA2 GLY 523 HA2 GLY 523 -2.214 2.609 -30.858 151 HA3 GLY 523 HA3 GLY 523 -3.724 1.880 -30.293 152 HA PRO 524 HA PRO 524 -2.375 5.561 -27.484 153 HB2 PRO 524 HB2 PRO 524 -2.269 7.872 -28.936 154 HB3 PRO 524 HB3 PRO 524 -0.876 6.755 -28.820 155 HG2 PRO 524 HG2 PRO 524 -2.919 6.959 -31.054 156 HG3 PRO 524 HG3 PRO 524 -1.135 6.891 -31.189 157 HD2 PRO 524 HD2 PRO 524 -2.765 4.688 -31.448 158 HD3 PRO 524 HD3 PRO 524 -1.099 4.580 -30.794 159 H PHE 525 H PHE 525 -4.695 5.368 -30.147 160 HA PHE 525 HA PHE 525 -6.614 7.166 -28.753 161 HB2 PHE 525 HB2 PHE 525 -6.910 5.764 -31.436 162 HB3 PHE 525 HB3 PHE 525 -7.894 7.076 -30.811 163 HD1 PHE 525 HD1 PHE 525 -6.199 9.175 -29.965 164 HD2 PHE 525 HD2 PHE 525 -5.534 6.415 -33.211 165 HE1 PHE 525 HE1 PHE 525 -4.668 10.808 -31.038 166 HE2 PHE 525 HE2 PHE 525 -4.006 8.052 -34.281 167 HZ PHE 525 HZ PHE 525 -3.568 10.248 -33.199 168 H PHE 526 H PHE 526 -8.551 6.480 -27.909 169 HA PHE 526 HA PHE 526 -9.051 3.521 -27.916 170 HB2 PHE 526 HB2 PHE 526 -8.442 4.169 -25.687 171 HB3 PHE 526 HB3 PHE 526 -9.430 5.618 -25.755 172 HD1 PHE 526 HD1 PHE 526 -9.756 1.846 -25.803 173 HD2 PHE 526 HD2 PHE 526 -11.602 5.624 -24.879 174 HE1 PHE 526 HE1 PHE 526 -11.658 0.657 -24.764 175 HE2 PHE 526 HE2 PHE 526 -13.533 4.428 -23.874 176 HZ PHE 526 HZ PHE 526 -13.547 1.946 -23.792 177 H CYS 527 H CYS 527 -11.022 2.809 -28.540 178 HA CYS 527 HA CYS 527 -13.059 4.868 -29.306 179 HB2 CYS 527 HB2 CYS 527 -12.277 3.249 -31.055 180 HB3 CYS 527 HB3 CYS 527 -12.875 1.919 -30.061 181 H ARG 528 H ARG 528 -14.857 5.103 -28.096 182 HA ARG 528 HA ARG 528 -15.197 3.334 -25.754 183 HB2 ARG 528 HB2 ARG 528 -16.983 5.091 -25.168 184 HB3 ARG 528 HB3 ARG 528 -15.319 5.583 -25.202 185 HG2 ARG 528 HG2 ARG 528 -16.826 7.296 -26.086 186 HG3 ARG 528 HG3 ARG 528 -15.580 6.830 -27.224 187 HD2 ARG 528 HD2 ARG 528 -17.702 7.264 -28.330 188 HD3 ARG 528 HD3 ARG 528 -17.178 5.599 -28.574 189 HE ARG 528 HE ARG 528 -18.988 5.878 -26.309 190 HH11 ARG 528 HH11 ARG 528 -19.025 5.705 -29.841 191 HH12 ARG 528 HH12 ARG 528 -20.445 4.704 -29.877 192 HH21 ARG 528 HH21 ARG 528 -20.979 4.817 -26.439 193 HH22 ARG 528 HH22 ARG 528 -21.661 4.447 -27.996 194 H ASP 529 H ASP 529 -16.398 3.200 -28.897 195 HA ASP 529 HA ASP 529 -19.198 2.690 -28.381 196 HB2 ASP 529 HB2 ASP 529 -18.074 3.375 -30.618 197 HB3 ASP 529 HB3 ASP 529 -17.637 1.659 -30.774 198 H GLN 530 H GLN 530 -20.335 0.716 -28.361 199 HA GLN 530 HA GLN 530 -19.056 -1.440 -26.965 200 HB2 GLN 530 HB2 GLN 530 -21.198 -2.595 -27.218 201 HB3 GLN 530 HB3 GLN 530 -21.441 -0.924 -26.726 202 HG2 GLN 530 HG2 GLN 530 -22.077 -0.330 -29.071 203 HG3 GLN 530 HG3 GLN 530 -21.824 -2.010 -29.560 204 HE21 GLN 530 HE21 GLN 530 -23.816 0.031 -27.309 205 HE22 GLN 530 HE22 GLN 530 -25.177 -1.077 -27.339 206 H VAL 531 H VAL 531 -19.452 -0.733 -30.404 207 HA VAL 531 HA VAL 531 -19.132 -3.446 -31.397 208 HB VAL 531 HB VAL 531 -18.621 -0.706 -32.598 209 HG11 VAL 531 HG11 VAL 531 -17.149 -2.109 -33.850 210 HG12 VAL 531 HG12 VAL 531 -18.387 -3.389 -33.996 211 HG13 VAL 531 HG13 VAL 531 -18.595 -1.837 -34.830 212 HG21 VAL 531 HG21 VAL 531 -20.600 -1.120 -33.951 213 HG22 VAL 531 HG22 VAL 531 -20.791 -2.743 -33.249 214 HG23 VAL 531 HG23 VAL 531 -21.027 -1.304 -32.237 215 H CYS 532 H CYS 532 -16.842 -0.807 -30.597 216 HA CYS 532 HA CYS 532 -14.548 -2.544 -31.388 217 HB2 CYS 532 HB2 CYS 532 -14.746 0.431 -30.794 218 HB3 CYS 532 HB3 CYS 532 -13.253 -0.402 -31.239 219 H PHE 533 H PHE 533 -14.861 0.039 -28.888 220 HA PHE 533 HA PHE 533 -14.094 0.156 -26.720 221 HB2 PHE 533 HB2 PHE 533 -15.989 -1.668 -26.701 222 HB3 PHE 533 HB3 PHE 533 -14.699 -2.802 -26.377 223 HD1 PHE 533 HD1 PHE 533 -15.774 0.682 -25.254 224 HD2 PHE 533 HD2 PHE 533 -14.409 -3.249 -24.065 225 HE1 PHE 533 HE1 PHE 533 -16.010 1.308 -22.872 226 HE2 PHE 533 HE2 PHE 533 -14.619 -2.592 -21.682 227 HZ PHE 533 HZ PHE 533 -15.425 -0.316 -21.081 228 H LYS 534 H LYS 534 -11.985 -0.006 -28.428 229 HA LYS 534 HA LYS 534 -9.950 -1.517 -26.900 230 HB2 LYS 534 HB2 LYS 534 -11.124 -2.710 -29.179 231 HB3 LYS 534 HB3 LYS 534 -9.682 -1.986 -29.817 232 HG2 LYS 534 HG2 LYS 534 -9.188 -4.240 -29.233 233 HG3 LYS 534 HG3 LYS 534 -8.310 -3.200 -28.114 234 HD2 LYS 534 HD2 LYS 534 -9.242 -5.140 -26.954 235 HD3 LYS 534 HD3 LYS 534 -9.994 -3.666 -26.352 236 HE2 LYS 534 HE2 LYS 534 -11.937 -4.108 -27.941 237 HE3 LYS 534 HE3 LYS 534 -11.182 -5.657 -28.348 238 HZ1 LYS 534 HZ1 LYS 534 -11.379 -6.250 -25.976 239 HZ2 LYS 534 HZ2 LYS 534 -12.846 -5.898 -26.607 240 HZ3 LYS 534 HZ3 LYS 534 -12.090 -4.807 -25.653 241 H TYR 535 H TYR 535 -7.706 -1.196 -28.114 242 HA TYR 535 HA TYR 535 -7.437 1.720 -28.634 243 HB2 TYR 535 HB2 TYR 535 -5.389 -0.461 -28.104 244 HB3 TYR 535 HB3 TYR 535 -4.993 1.207 -28.443 245 HD1 TYR 535 HD2 TYR 535 -7.755 1.677 -26.424 246 HD2 TYR 535 HD1 TYR 535 -3.711 0.228 -26.248 247 HE1 TYR 535 HE2 TYR 535 -7.745 2.063 -23.986 248 HE2 TYR 535 HE1 TYR 535 -3.663 0.637 -23.809 249 HH TYR 535 HH TYR 535 -6.506 1.959 -22.035 250 H PHE 536 H PHE 536 -6.430 2.571 -30.485 251 HA PHE 536 HA PHE 536 -5.624 0.696 -32.641 252 HB2 PHE 536 HB2 PHE 536 -7.676 2.894 -33.076 253 HB3 PHE 536 HB3 PHE 536 -7.025 1.840 -34.309 254 HD1 PHE 536 HD1 PHE 536 -7.711 -0.548 -34.435 255 HD2 PHE 536 HD2 PHE 536 -9.439 2.153 -31.556 256 HE1 PHE 536 HE1 PHE 536 -9.543 -2.175 -34.007 257 HE2 PHE 536 HE2 PHE 536 -11.251 0.530 -31.120 258 HZ PHE 536 HZ PHE 536 -11.315 -1.642 -32.345 259 H CYS 537 H CYS 537 -4.165 1.571 -34.120 260 HA CYS 537 HA CYS 537 -2.857 4.120 -33.411 261 HB2 CYS 537 HB2 CYS 537 -2.289 2.471 -35.893 262 HB3 CYS 537 HB3 CYS 537 -1.207 3.527 -34.993 263 H ARG 538 H ARG 538 -2.306 5.567 -35.482 264 HA ARG 538 HA ARG 538 -4.708 6.863 -36.255 265 HB2 ARG 538 HB2 ARG 538 -2.408 7.858 -36.274 266 HB3 ARG 538 HB3 ARG 538 -2.017 6.926 -37.720 267 HG2 ARG 538 HG2 ARG 538 -3.864 8.081 -38.947 268 HG3 ARG 538 HG3 ARG 538 -4.245 9.014 -37.494 269 HD2 ARG 538 HD2 ARG 538 -1.570 9.054 -38.958 270 HD3 ARG 538 HD3 ARG 538 -2.868 10.234 -39.199 271 HE ARG 538 HE ARG 538 -2.423 10.283 -36.468 272 HH11 ARG 538 HH11 ARG 538 -0.403 10.947 -39.297 273 HH12 ARG 538 HH12 ARG 538 0.602 12.068 -38.429 274 HH21 ARG 538 HH21 ARG 538 -1.078 11.731 -35.405 275 HH22 ARG 538 HH22 ARG 538 0.218 12.508 -36.261 276 H SER 539 H SER 539 -2.603 4.730 -38.294 277 HA SER 539 HA SER 539 -4.402 4.744 -40.543 278 HB2 SER 539 HB2 SER 539 -2.269 2.679 -39.840 279 HB3 SER 539 HB3 SER 539 -2.964 2.988 -41.442 280 HG SER 539 HG SER 539 -0.928 4.043 -41.171 281 H CYS 540 H CYS 540 -4.010 2.562 -37.743 282 HA CYS 540 HA CYS 540 -5.744 0.471 -38.719 283 HB2 CYS 540 HB2 CYS 540 -5.069 1.223 -35.858 284 HB3 CYS 540 HB3 CYS 540 -5.685 -0.330 -36.399 285 H TRP 541 H TRP 541 -6.257 3.421 -36.778 286 HA TRP 541 HA TRP 541 -8.985 2.909 -36.057 287 HB2 TRP 541 HB2 TRP 541 -7.598 4.603 -34.934 288 HB3 TRP 541 HB3 TRP 541 -7.432 5.516 -36.424 289 HD1 TRP 541 HD1 TRP 541 -9.650 6.740 -37.344 290 HE1 TRP 541 HE1 TRP 541 -11.829 7.517 -36.201 291 HE3 TRP 541 HE3 TRP 541 -8.936 4.626 -32.757 292 HZ2 TRP 541 HZ2 TRP 541 -13.259 6.877 -33.737 293 HZ3 TRP 541 HZ3 TRP 541 -10.666 4.784 -31.011 294 HH2 TRP 541 HH2 TRP 541 -12.873 5.823 -31.517 295 H HIS 542 H HIS 542 -7.470 4.710 -38.782 296 HA HIS 542 HA HIS 542 -9.851 5.538 -40.076 297 HB2 HIS 542 HB2 HIS 542 -7.621 6.357 -40.695 298 HB3 HIS 542 HB3 HIS 542 -7.143 4.752 -41.247 299 HD2 HIS 542 HD2 HIS 542 -7.730 4.094 -43.707 300 HE1 HIS 542 HE1 HIS 542 -10.280 7.355 -44.704 301 HE2 HIS 542 HE2 HIS 542 -9.097 5.287 -45.611 302 H TRP 543 H TRP 543 -7.947 2.486 -40.430 303 HA TRP 543 HA TRP 543 -9.591 1.314 -42.461 304 HB2 TRP 543 HB2 TRP 543 -7.334 0.510 -41.905 305 HB3 TRP 543 HB3 TRP 543 -7.861 0.026 -40.301 306 HD1 TRP 543 HD1 TRP 543 -8.012 -1.024 -43.944 307 HE1 TRP 543 HE1 TRP 543 -8.899 -3.421 -44.157 308 HE3 TRP 543 HE3 TRP 543 -9.355 -1.837 -39.058 309 HZ2 TRP 543 HZ2 TRP 543 -10.140 -5.395 -42.454 310 HZ3 TRP 543 HZ3 TRP 543 -10.461 -3.956 -38.405 311 HH2 TRP 543 HH2 TRP 543 -10.852 -5.743 -40.085 312 H ARG 544 H ARG 544 -9.687 1.056 -38.860 313 HA ARG 544 HA ARG 544 -11.718 -0.924 -38.717 314 HB2 ARG 544 HB2 ARG 544 -10.273 -0.333 -36.829 315 HB3 ARG 544 HB3 ARG 544 -10.939 1.287 -36.768 316 HG2 ARG 544 HG2 ARG 544 -11.806 0.012 -34.955 317 HG3 ARG 544 HG3 ARG 544 -13.137 0.378 -36.034 318 HD2 ARG 544 HD2 ARG 544 -11.644 -2.278 -36.089 319 HD3 ARG 544 HD3 ARG 544 -13.022 -1.971 -35.019 320 HE ARG 544 HE ARG 544 -13.905 -1.243 -37.560 321 HH11 ARG 544 HH11 ARG 544 -12.845 -4.279 -36.069 322 HH12 ARG 544 HH12 ARG 544 -13.792 -5.238 -37.164 323 HH21 ARG 544 HH21 ARG 544 -15.089 -2.520 -38.909 324 HH22 ARG 544 HH22 ARG 544 -15.063 -4.250 -38.748 325 H HIS 545 H HIS 545 -11.977 2.660 -38.672 326 HA HIS 545 HA HIS 545 -14.912 2.450 -38.357 327 HB2 HIS 545 HB2 HIS 545 -13.051 4.878 -38.423 328 HB3 HIS 545 HB3 HIS 545 -14.773 4.902 -37.999 329 HD1 HIS 545 HD1 HIS 545 -11.428 4.123 -36.456 330 HD2 HIS 545 HD2 HIS 545 -15.470 3.229 -35.829 331 HE1 HIS 545 HE1 HIS 545 -11.578 3.097 -34.118 332 H SER 546 H SER 546 -12.991 2.249 -41.038 333 HA SER 546 HA SER 546 -14.383 3.999 -42.912 334 HB2 SER 546 HB2 SER 546 -12.714 1.484 -43.204 335 HB3 SER 546 HB3 SER 546 -13.483 2.264 -44.589 336 HG SER 546 HG SER 546 -11.594 3.496 -42.839 337 H MET 547 H MET 547 -14.929 0.776 -41.542 338 HA MET 547 HA MET 547 -16.873 -0.226 -43.344 339 HB2 MET 547 HB2 MET 547 -15.799 -1.533 -41.526 340 HB3 MET 547 HB3 MET 547 -16.680 -0.591 -40.317 341 HG2 MET 547 HG2 MET 547 -18.824 -1.455 -41.207 342 HG3 MET 547 HG3 MET 547 -17.949 -2.374 -42.441 343 HE1 MET 547 HE1 MET 547 -20.153 -3.475 -40.392 344 HE2 MET 547 HE2 MET 547 -19.386 -4.467 -41.654 345 HE3 MET 547 HE3 MET 547 -19.444 -5.049 -39.976 346 H GLU 548 H GLU 548 -18.970 0.241 -43.747 347 HA GLU 548 HA GLU 548 -20.197 2.611 -42.727 348 HB2 GLU 548 HB2 GLU 548 -20.749 1.677 -44.909 349 HB3 GLU 548 HB3 GLU 548 -21.405 0.203 -44.181 350 HG2 GLU 548 HG2 GLU 548 -23.313 1.317 -43.340 351 HG3 GLU 548 HG3 GLU 548 -22.530 2.895 -43.390 352 H GLY 549 H GLY 549 -21.672 2.990 -41.115 353 HA2 GLY 549 HA2 GLY 549 -23.332 2.298 -39.506 354 HA3 GLY 549 HA3 GLY 549 -22.647 0.662 -39.515 355 H LEU 550 H LEU 550 -19.872 2.218 -39.446 356 HA LEU 550 HA LEU 550 -19.863 2.631 -36.468 357 HB2 LEU 550 HB2 LEU 550 -17.671 1.712 -38.379 358 HB3 LEU 550 HB3 LEU 550 -17.391 2.222 -36.718 359 HG LEU 550 HG LEU 550 -18.783 0.411 -35.857 360 HD11 LEU 550 HD11 LEU 550 -18.827 -0.611 -38.720 361 HD12 LEU 550 HD12 LEU 550 -20.226 -0.239 -37.676 362 HD13 LEU 550 HD13 LEU 550 -19.189 -1.592 -37.275 363 HD21 LEU 550 HD21 LEU 550 -16.404 0.230 -35.842 364 HD22 LEU 550 HD22 LEU 550 -16.357 -0.235 -37.566 365 HD23 LEU 550 HD23 LEU 550 -17.020 -1.343 -36.358 366 H ARG 551 H ARG 551 -20.206 4.491 -39.083 367 HA ARG 551 HA ARG 551 -17.972 6.296 -39.040 368 HB2 ARG 551 HB2 ARG 551 -19.436 7.786 -40.357 369 HB3 ARG 551 HB3 ARG 551 -19.417 6.139 -40.972 370 HG2 ARG 551 HG2 ARG 551 -21.646 5.698 -40.073 371 HG3 ARG 551 HG3 ARG 551 -21.653 7.244 -39.214 372 HD2 ARG 551 HD2 ARG 551 -23.010 7.444 -41.209 373 HD3 ARG 551 HD3 ARG 551 -21.591 8.468 -41.346 374 HE ARG 551 HE ARG 551 -20.660 7.052 -42.991 375 HH11 ARG 551 HH21 ARG 551 -23.883 5.858 -42.092 376 HH12 ARG 551 HH22 ARG 551 -24.004 4.912 -43.552 377 HH21 ARG 551 HH11 ARG 551 -20.920 5.774 -44.817 378 HH22 ARG 551 HH12 ARG 551 -22.373 4.816 -45.009 379 H HIS 552 H HIS 552 -20.528 5.879 -36.778 380 HA HIS 552 HA HIS 552 -20.633 8.692 -35.909 381 HB2 HIS 552 HB2 HIS 552 -22.272 7.883 -34.280 382 HB3 HIS 552 HB3 HIS 552 -22.661 7.287 -35.887 383 HD2 HIS 552 HD2 HIS 552 -21.876 6.101 -32.386 384 HE1 HIS 552 HE1 HIS 552 -21.714 2.577 -34.758 385 HE2 HIS 552 HE2 HIS 552 -21.724 3.487 -32.365 386 H HIS 553 H HIS 553 -18.391 6.245 -35.449 387 HA HIS 553 HA HIS 553 -17.934 6.474 -32.578 388 HB2 HIS 553 HB2 HIS 553 -16.192 5.385 -34.822 389 HB3 HIS 553 HB3 HIS 553 -15.822 5.231 -33.118 390 HD2 HIS 553 HD2 HIS 553 -19.465 4.523 -34.063 391 HE1 HIS 553 HE1 HIS 553 -17.573 0.742 -33.653 392 HE2 HIS 553 HE2 HIS 553 -19.815 1.922 -33.936 393 H SER 554 H SER 554 -16.040 7.395 -31.544 394 HA SER 554 HA SER 554 -14.487 9.398 -33.103 395 HB2 SER 554 HB2 SER 554 -16.009 10.054 -30.545 396 HB3 SER 554 HB3 SER 554 -14.876 11.134 -31.363 397 HG SER 554 HG SER 554 -16.301 11.239 -33.138 398 HA PRO 555 HA PRO 555 -11.372 7.634 -30.478 399 HB2 PRO 555 HB2 PRO 555 -9.202 9.106 -31.263 400 HB3 PRO 555 HB3 PRO 555 -10.018 7.960 -32.355 401 HG2 PRO 555 HG2 PRO 555 -10.333 10.965 -32.236 402 HG3 PRO 555 HG3 PRO 555 -10.161 9.916 -33.674 403 HD2 PRO 555 HD2 PRO 555 -12.593 10.838 -32.701 404 HD3 PRO 555 HD3 PRO 555 -12.394 9.311 -33.620 405 H LEU 556 H LEU 556 -11.280 7.926 -28.315 406 HA LEU 556 HA LEU 556 -11.230 10.591 -27.108 407 HB2 LEU 556 HB2 LEU 556 -11.041 7.750 -26.068 408 HB3 LEU 556 HB3 LEU 556 -10.823 9.128 -24.988 409 HG LEU 556 HG LEU 556 -13.230 9.125 -26.826 410 HD11 LEU 556 HD11 LEU 556 -13.268 6.921 -25.949 411 HD12 LEU 556 HD12 LEU 556 -14.520 7.890 -25.125 412 HD13 LEU 556 HD13 LEU 556 -13.006 7.501 -24.275 413 HD21 LEU 556 HD21 LEU 556 -14.207 10.436 -25.017 414 HD22 LEU 556 HD22 LEU 556 -12.601 11.103 -25.395 415 HD23 LEU 556 HD23 LEU 556 -12.821 10.089 -23.957 416 H MET 557 H MET 557 -9.535 11.486 -25.870 417 HA MET 557 HA MET 557 -6.812 10.329 -26.326 418 HB2 MET 557 HB2 MET 557 -7.580 13.241 -26.854 419 HB3 MET 557 HB3 MET 557 -5.964 12.540 -26.995 420 HG2 MET 557 HG2 MET 557 -6.845 11.001 -28.778 421 HG3 MET 557 HG3 MET 557 -8.393 11.838 -28.686 422 HE1 MET 557 HE1 MET 557 -7.298 13.075 -32.119 423 HE2 MET 557 HE2 MET 557 -7.202 11.452 -31.404 424 HE3 MET 557 HE3 MET 557 -8.628 12.469 -31.109 425 H ARG 558 H ARG 558 -5.278 10.834 -24.760 426 HA ARG 558 HA ARG 558 -6.301 11.549 -22.130 427 HB2 ARG 558 HB2 ARG 558 -3.947 11.221 -21.410 428 HB3 ARG 558 HB3 ARG 558 -4.569 9.890 -22.372 429 HG2 ARG 558 HG2 ARG 558 -3.379 11.079 -24.404 430 HG3 ARG 558 HG3 ARG 558 -2.559 12.021 -23.177 431 HD2 ARG 558 HD2 ARG 558 -1.184 10.115 -23.900 432 HD3 ARG 558 HD3 ARG 558 -1.605 9.983 -22.195 433 HE ARG 558 HE ARG 558 -2.634 7.995 -22.636 434 HH11 ARG 558 HH21 ARG 558 -2.535 9.643 -25.784 435 HH12 ARG 558 HH22 ARG 558 -3.460 8.367 -26.542 436 HH21 ARG 558 HH11 ARG 558 -3.762 6.394 -23.751 437 HH22 ARG 558 HH12 ARG 558 -4.097 6.610 -25.450 438 H ASN 559 H ASN 559 -5.640 13.322 -20.809 439 HA ASN 559 HA ASN 559 -5.600 15.833 -22.259 440 HB2 ASN 559 HB2 ASN 559 -5.358 15.221 -19.274 441 HB3 ASN 559 HB3 ASN 559 -5.582 16.830 -19.962 442 HD21 ASN 559 HD21 ASN 559 -7.627 17.271 -21.177 443 HD22 ASN 559 HD22 ASN 559 -9.050 16.337 -20.752 444 H GLN 560 H GLN 560 -3.141 13.888 -20.578 445 HA GLN 560 HA GLN 560 -1.176 16.059 -20.490 446 HB2 GLN 560 HB2 GLN 560 -0.958 13.058 -19.946 447 HB3 GLN 560 HB3 GLN 560 0.359 14.209 -19.721 448 HG2 GLN 560 HG2 GLN 560 -2.312 14.263 -18.238 449 HG3 GLN 560 HG3 GLN 560 -0.770 13.705 -17.594 450 HE21 GLN 560 HE21 GLN 560 1.065 15.380 -17.569 451 HE22 GLN 560 HE22 GLN 560 0.604 17.044 -17.242 452 H LYS 561 H LYS 561 -0.092 16.740 -22.229 453 HA LYS 561 HA LYS 561 0.057 15.192 -24.682 454 HB2 LYS 561 HB2 LYS 561 -0.073 17.698 -24.526 455 HB3 LYS 561 HB3 LYS 561 1.577 17.725 -23.893 456 HG2 LYS 561 HG2 LYS 561 2.416 16.755 -26.008 457 HG3 LYS 561 HG3 LYS 561 0.753 16.611 -26.618 458 HD2 LYS 561 HD2 LYS 561 0.498 19.083 -26.449 459 HD3 LYS 561 HD3 LYS 561 2.171 19.226 -25.900 460 HE2 LYS 561 HE2 LYS 561 1.292 18.047 -28.583 461 HE3 LYS 561 HE3 LYS 561 1.792 19.722 -28.346 462 HZ1 LYS 561 HZ1 LYS 561 3.631 18.396 -29.145 463 HZ2 LYS 561 HZ2 LYS 561 3.526 17.358 -27.891 464 HZ3 LYS 561 HZ3 LYS 561 3.975 18.913 -27.637 465 H ASN 562 H ASN 562 2.196 15.708 -21.903 466 HA ASN 562 HA ASN 562 3.983 13.567 -22.804 467 HB2 ASN 562 HB2 ASN 562 4.825 15.675 -23.986 468 HB3 ASN 562 HB3 ASN 562 5.144 16.367 -22.401 469 HD21 ASN 562 HD21 ASN 562 6.067 13.774 -24.695 470 HD22 ASN 562 HD22 ASN 562 7.618 13.456 -23.939 471 H ARG 563 H ARG 563 5.534 12.933 -21.125 472 HA ARG 563 HA ARG 563 4.429 13.010 -18.484 473 HB2 ARG 563 HB2 ARG 563 6.470 11.837 -17.811 474 HB3 ARG 563 HB3 ARG 563 5.815 11.163 -19.299 475 HG2 ARG 563 HG2 ARG 563 7.546 12.395 -20.616 476 HG3 ARG 563 HG3 ARG 563 8.214 13.048 -19.106 477 HD2 ARG 563 HD2 ARG 563 8.682 10.754 -18.317 478 HD3 ARG 563 HD3 ARG 563 8.012 10.098 -19.827 479 HE ARG 563 HE ARG 563 10.031 11.995 -20.472 480 HH11 ARG 563 HH21 ARG 563 9.833 8.751 -19.071 481 HH12 ARG 563 HH22 ARG 563 11.429 8.321 -19.612 482 HH21 ARG 563 HH11 ARG 563 12.080 11.376 -21.140 483 HH22 ARG 563 HH12 ARG 563 12.681 9.788 -20.766 484 H ASP 564 H ASP 564 6.642 15.179 -20.140 485 HA ASP 564 HA ASP 564 8.058 16.270 -17.941 486 HB2 ASP 564 HB2 ASP 564 8.605 16.664 -20.325 487 HB3 ASP 564 HB3 ASP 564 7.142 17.632 -20.512 488 H SER 565 H SER 565 4.754 16.939 -19.113 489 HA SER 565 HA SER 565 4.476 19.225 -17.219 490 HB2 SER 565 HB2 SER 565 2.298 19.582 -18.364 491 HB3 SER 565 HB3 SER 565 3.669 19.598 -19.474 492 HG SER 565 HG SER 565 1.896 18.394 -20.295 493 H SER 566 H SER 566 4.378 16.003 -16.802 494 HA SER 566 HA SER 566 1.810 15.878 -15.287 495 HB2 SER 566 HB2 SER 566 3.896 13.729 -15.891 496 HB3 SER 566 HB3 SER 566 2.380 13.475 -15.018 497 HG SER 566 HG SER 566 2.179 12.925 -17.234 Start of MODEL 19 1 H1 GLY 502 H1 GLY 502 21.018 13.988 -39.145 2 H2 GLY 502 H2 GLY 502 19.415 13.817 -39.232 3 H3 GLY 502 H3 GLY 502 20.303 13.712 -40.567 4 HA2 GLY 502 HA2 GLY 502 21.277 11.592 -39.856 5 HA3 GLY 502 HA3 GLY 502 20.298 11.707 -38.379 6 HA PRO 503 HA PRO 503 17.924 9.443 -41.772 7 HB2 PRO 503 HB2 PRO 503 17.851 6.925 -40.689 8 HB3 PRO 503 HB3 PRO 503 19.258 7.532 -41.611 9 HG2 PRO 503 HG2 PRO 503 18.893 7.476 -38.596 10 HG3 PRO 503 HG3 PRO 503 20.294 6.892 -39.550 11 HD2 PRO 503 HD2 PRO 503 20.242 9.368 -38.386 12 HD3 PRO 503 HD3 PRO 503 21.046 9.087 -39.964 13 H VAL 504 H VAL 504 15.738 8.471 -41.601 14 HA VAL 504 HA VAL 504 14.183 9.692 -39.437 15 HB VAL 504 HB VAL 504 13.367 7.832 -41.726 16 HG11 VAL 504 HG11 VAL 504 11.670 7.711 -39.941 17 HG12 VAL 504 HG12 VAL 504 11.629 9.485 -39.830 18 HG13 VAL 504 HG13 VAL 504 11.048 8.659 -41.291 19 HG21 VAL 504 HG21 VAL 504 14.221 10.000 -42.548 20 HG22 VAL 504 HG22 VAL 504 12.473 9.904 -42.767 21 HG23 VAL 504 HG23 VAL 504 13.143 10.864 -41.432 22 H GLN 505 H GLN 505 13.624 8.797 -37.550 23 HA GLN 505 HA GLN 505 13.442 5.834 -37.313 24 HB2 GLN 505 HB2 GLN 505 15.111 7.623 -35.477 25 HB3 GLN 505 HB3 GLN 505 14.716 5.933 -35.162 26 HG2 GLN 505 HG2 GLN 505 15.935 5.279 -37.254 27 HG3 GLN 505 HG3 GLN 505 16.411 6.967 -37.478 28 HE21 GLN 505 HE21 GLN 505 16.747 4.163 -35.221 29 HE22 GLN 505 HE22 GLN 505 18.253 4.749 -34.532 30 H ILE 506 H ILE 506 12.164 5.123 -35.502 31 HA ILE 506 HA ILE 506 10.821 7.088 -33.791 32 HB ILE 506 HB ILE 506 9.567 7.283 -35.938 33 HG12 ILE 506 HG12 ILE 506 7.830 6.028 -33.784 34 HG13 ILE 506 HG13 ILE 506 8.522 7.653 -33.687 35 HG21 ILE 506 HG21 ILE 506 8.201 5.521 -36.855 36 HG22 ILE 506 HG22 ILE 506 9.851 4.921 -36.745 37 HG23 ILE 506 HG23 ILE 506 8.642 4.409 -35.548 38 HD11 ILE 506 HD11 ILE 506 6.530 6.666 -35.770 39 HD12 ILE 506 HD12 ILE 506 6.238 7.809 -34.451 40 HD13 ILE 506 HD13 ILE 506 7.311 8.268 -35.787 41 H ASP 507 H ASP 507 9.692 6.121 -32.053 42 HA ASP 507 HA ASP 507 9.459 3.195 -31.897 43 HB2 ASP 507 HB2 ASP 507 11.854 3.629 -31.301 44 HB3 ASP 507 HB3 ASP 507 11.328 4.717 -30.023 45 HA PRO 508 HA PRO 508 6.064 4.798 -29.479 46 HB2 PRO 508 HB2 PRO 508 4.900 2.424 -28.733 47 HB3 PRO 508 HB3 PRO 508 4.846 3.055 -30.403 48 HG2 PRO 508 HG2 PRO 508 6.719 0.965 -29.260 49 HG3 PRO 508 HG3 PRO 508 5.808 0.917 -30.801 50 HD2 PRO 508 HD2 PRO 508 8.433 1.670 -30.654 51 HD3 PRO 508 HD3 PRO 508 7.306 2.390 -31.845 52 H TYR 509 H TYR 509 6.194 5.644 -27.478 53 HA TYR 509 HA TYR 509 7.885 4.324 -25.441 54 HB2 TYR 509 HB2 TYR 509 6.463 7.017 -25.393 55 HB3 TYR 509 HB3 TYR 509 7.663 6.461 -24.233 56 HD1 TYR 509 HD1 TYR 509 10.009 5.735 -25.243 57 HD2 TYR 509 HD2 TYR 509 7.196 8.355 -27.200 58 HE1 TYR 509 HE1 TYR 509 11.845 6.653 -26.652 59 HE2 TYR 509 HE2 TYR 509 9.025 9.278 -28.605 60 HH TYR 509 HH TYR 509 11.270 9.207 -29.112 61 H LEU 510 H LEU 510 4.668 4.082 -26.288 62 HA LEU 510 HA LEU 510 3.414 4.241 -23.660 63 HB2 LEU 510 HB2 LEU 510 2.468 2.943 -26.249 64 HB3 LEU 510 HB3 LEU 510 1.462 3.205 -24.835 65 HG LEU 510 HG LEU 510 2.714 5.400 -26.548 66 HD11 LEU 510 HD11 LEU 510 0.409 5.783 -27.326 67 HD12 LEU 510 HD12 LEU 510 -0.165 4.411 -26.353 68 HD13 LEU 510 HD13 LEU 510 0.941 4.140 -27.717 69 HD21 LEU 510 HD21 LEU 510 1.198 6.921 -25.283 70 HD22 LEU 510 HD22 LEU 510 2.421 6.190 -24.239 71 HD23 LEU 510 HD23 LEU 510 0.751 5.574 -24.213 72 H GLU 511 H GLU 511 3.382 2.735 -22.107 73 HA GLU 511 HA GLU 511 4.340 -0.027 -22.727 74 HB2 GLU 511 HB2 GLU 511 4.616 -0.264 -20.300 75 HB3 GLU 511 HB3 GLU 511 5.472 1.148 -20.896 76 HG2 GLU 511 HG2 GLU 511 3.663 2.630 -20.057 77 HG3 GLU 511 HG3 GLU 511 2.773 1.225 -19.469 78 H ASP 512 H ASP 512 1.513 1.379 -23.087 79 HA ASP 512 HA ASP 512 -0.197 -0.262 -21.343 80 HB2 ASP 512 HB2 ASP 512 -0.442 2.265 -22.331 81 HB3 ASP 512 HB3 ASP 512 -1.356 1.417 -23.551 82 H SER 513 H SER 513 -2.394 -0.652 -23.052 83 HA SER 513 HA SER 513 -1.826 -3.247 -23.938 84 HB2 SER 513 HB2 SER 513 -4.140 -1.407 -24.649 85 HB3 SER 513 HB3 SER 513 -4.097 -3.135 -25.037 86 HG SER 513 HG SER 513 -5.187 -2.688 -23.035 87 H LEU 514 H LEU 514 -1.643 -4.294 -25.929 88 HA LEU 514 HA LEU 514 -0.373 -2.761 -28.075 89 HB2 LEU 514 HB2 LEU 514 0.366 -5.056 -27.335 90 HB3 LEU 514 HB3 LEU 514 -1.167 -5.693 -27.908 91 HG LEU 514 HG LEU 514 -0.508 -4.925 -30.252 92 HD11 LEU 514 HD11 LEU 514 2.260 -4.655 -28.992 93 HD12 LEU 514 HD12 LEU 514 1.261 -3.287 -29.502 94 HD13 LEU 514 HD13 LEU 514 1.831 -4.455 -30.707 95 HD21 LEU 514 HD21 LEU 514 -0.339 -7.266 -29.549 96 HD22 LEU 514 HD22 LEU 514 1.259 -6.962 -28.833 97 HD23 LEU 514 HD23 LEU 514 1.030 -6.841 -30.588 98 H CYS 515 H CYS 515 -1.172 -2.386 -30.160 99 HA CYS 515 HA CYS 515 -4.059 -2.307 -30.547 100 HB2 CYS 515 HB2 CYS 515 -2.480 -0.712 -31.647 101 HB3 CYS 515 HB3 CYS 515 -1.776 -2.061 -32.539 102 H HIS 516 H HIS 516 -5.309 -4.024 -30.985 103 HA HIS 516 HA HIS 516 -4.161 -6.609 -31.532 104 HB2 HIS 516 HB2 HIS 516 -6.443 -7.409 -31.487 105 HB3 HIS 516 HB3 HIS 516 -6.222 -6.238 -30.195 106 HD2 HIS 516 HD2 HIS 516 -8.858 -7.180 -32.335 107 HE1 HIS 516 HE1 HIS 516 -9.211 -2.942 -32.442 108 HE2 HIS 516 HE2 HIS 516 -10.405 -5.142 -32.940 109 H ILE 517 H ILE 517 -5.261 -4.043 -33.641 110 HA ILE 517 HA ILE 517 -6.014 -5.667 -35.914 111 HB ILE 517 HB ILE 517 -5.095 -2.751 -35.764 112 HG12 ILE 517 HG12 ILE 517 -7.082 -2.960 -34.455 113 HG13 ILE 517 HG13 ILE 517 -7.520 -2.226 -35.984 114 HG21 ILE 517 HG21 ILE 517 -6.405 -4.274 -38.052 115 HG22 ILE 517 HG22 ILE 517 -6.297 -2.504 -37.957 116 HG23 ILE 517 HG23 ILE 517 -4.825 -3.465 -38.050 117 HD11 ILE 517 HD11 ILE 517 -9.232 -3.813 -35.405 118 HD12 ILE 517 HD12 ILE 517 -8.338 -4.502 -36.771 119 HD13 ILE 517 HD13 ILE 517 -8.053 -5.101 -35.126 120 H CYS 518 H CYS 518 -3.068 -3.618 -35.404 121 HA CYS 518 HA CYS 518 -1.714 -5.046 -37.597 122 HB2 CYS 518 HB2 CYS 518 0.049 -3.357 -37.257 123 HB3 CYS 518 HB3 CYS 518 -1.553 -2.648 -37.484 124 H SER 519 H SER 519 -1.679 -4.977 -34.060 125 HA SER 519 HA SER 519 -0.501 -6.200 -32.480 126 HB2 SER 519 HB2 SER 519 0.015 -8.112 -34.820 127 HB3 SER 519 HB3 SER 519 0.194 -8.481 -33.106 128 HG SER 519 HG SER 519 -2.226 -7.821 -34.463 129 H SER 520 H SER 520 1.001 -4.207 -34.306 130 HA SER 520 HA SER 520 3.785 -5.283 -33.934 131 HB2 SER 520 HB2 SER 520 2.716 -3.229 -35.922 132 HB3 SER 520 HB3 SER 520 4.409 -3.725 -35.773 133 HG SER 520 HG SER 520 2.228 -5.480 -36.396 134 H GLN 521 H GLN 521 1.571 -2.962 -32.743 135 HA GLN 521 HA GLN 521 3.540 -1.653 -31.085 136 HB2 GLN 521 HB2 GLN 521 3.277 0.658 -32.031 137 HB3 GLN 521 HB3 GLN 521 4.101 -0.417 -33.134 138 HG2 GLN 521 HG2 GLN 521 1.972 -0.689 -34.428 139 HG3 GLN 521 HG3 GLN 521 1.171 0.401 -33.288 140 HE21 GLN 521 HE21 GLN 521 3.899 0.260 -35.673 141 HE22 GLN 521 HE22 GLN 521 3.814 1.974 -36.042 142 HA PRO 522 HA PRO 522 -0.205 -0.825 -28.839 143 HB2 PRO 522 HB2 PRO 522 0.511 1.293 -27.242 144 HB3 PRO 522 HB3 PRO 522 1.177 -0.352 -27.033 145 HG2 PRO 522 HG2 PRO 522 2.427 1.984 -28.508 146 HG3 PRO 522 HG3 PRO 522 3.188 0.901 -27.296 147 HD2 PRO 522 HD2 PRO 522 3.505 0.527 -29.954 148 HD3 PRO 522 HD3 PRO 522 3.367 -0.859 -28.833 149 H GLY 523 H GLY 523 -2.099 0.325 -29.084 150 HA2 GLY 523 HA2 GLY 523 -2.094 2.420 -31.151 151 HA3 GLY 523 HA3 GLY 523 -3.506 1.633 -30.441 152 HA PRO 524 HA PRO 524 -2.070 5.664 -27.994 153 HB2 PRO 524 HB2 PRO 524 -2.589 7.374 -30.413 154 HB3 PRO 524 HB3 PRO 524 -1.325 7.550 -29.164 155 HG2 PRO 524 HG2 PRO 524 -0.703 6.642 -31.640 156 HG3 PRO 524 HG3 PRO 524 0.026 5.874 -30.190 157 HD2 PRO 524 HD2 PRO 524 -2.379 4.957 -31.783 158 HD3 PRO 524 HD3 PRO 524 -0.934 4.026 -31.255 159 H PHE 525 H PHE 525 -4.568 5.016 -30.414 160 HA PHE 525 HA PHE 525 -6.510 6.784 -28.999 161 HB2 PHE 525 HB2 PHE 525 -6.776 5.321 -31.660 162 HB3 PHE 525 HB3 PHE 525 -7.915 6.477 -30.991 163 HD1 PHE 525 HD2 PHE 525 -7.291 8.912 -30.805 164 HD2 PHE 525 HD1 PHE 525 -4.805 6.052 -32.862 165 HE1 PHE 525 HE2 PHE 525 -6.084 10.766 -31.933 166 HE2 PHE 525 HE1 PHE 525 -3.583 7.908 -33.964 167 HZ PHE 525 HZ PHE 525 -4.223 10.268 -33.508 168 H PHE 526 H PHE 526 -8.458 6.010 -28.187 169 HA PHE 526 HA PHE 526 -8.924 3.065 -28.321 170 HB2 PHE 526 HB2 PHE 526 -8.047 3.472 -26.091 171 HB3 PHE 526 HB3 PHE 526 -9.104 4.854 -25.865 172 HD1 PHE 526 HD2 PHE 526 -8.938 1.172 -26.042 173 HD2 PHE 526 HD1 PHE 526 -11.484 4.541 -25.230 174 HE1 PHE 526 HE2 PHE 526 -10.605 -0.348 -25.001 175 HE2 PHE 526 HE1 PHE 526 -13.149 3.028 -24.187 176 HZ PHE 526 HZ PHE 526 -12.711 0.582 -24.069 177 H CYS 527 H CYS 527 -10.934 2.548 -28.968 178 HA CYS 527 HA CYS 527 -12.867 4.784 -29.358 179 HB2 CYS 527 HB2 CYS 527 -12.288 3.365 -31.314 180 HB3 CYS 527 HB3 CYS 527 -12.861 1.934 -30.436 181 H ARG 528 H ARG 528 -14.369 5.087 -27.840 182 HA ARG 528 HA ARG 528 -14.898 2.979 -25.863 183 HB2 ARG 528 HB2 ARG 528 -16.378 4.902 -24.869 184 HB3 ARG 528 HB3 ARG 528 -14.642 5.021 -24.855 185 HG2 ARG 528 HG2 ARG 528 -15.592 7.153 -25.348 186 HG3 ARG 528 HG3 ARG 528 -14.622 6.604 -26.700 187 HD2 ARG 528 HD2 ARG 528 -16.699 5.968 -27.926 188 HD3 ARG 528 HD3 ARG 528 -17.674 6.521 -26.561 189 HE ARG 528 HE ARG 528 -16.225 8.138 -28.552 190 HH11 ARG 528 HH11 ARG 528 -17.697 8.323 -25.328 191 HH12 ARG 528 HH12 ARG 528 -17.909 10.044 -25.434 192 HH21 ARG 528 HH21 ARG 528 -16.699 10.308 -28.680 193 HH22 ARG 528 HH22 ARG 528 -17.293 11.164 -27.282 194 H ASP 529 H ASP 529 -16.103 3.162 -28.849 195 HA ASP 529 HA ASP 529 -18.987 2.975 -28.358 196 HB2 ASP 529 HB2 ASP 529 -17.840 3.622 -30.587 197 HB3 ASP 529 HB3 ASP 529 -17.475 1.892 -30.772 198 H GLN 530 H GLN 530 -20.248 1.078 -28.290 199 HA GLN 530 HA GLN 530 -19.088 -1.166 -26.948 200 HB2 GLN 530 HB2 GLN 530 -21.282 -2.218 -27.248 201 HB3 GLN 530 HB3 GLN 530 -21.422 -0.594 -26.621 202 HG2 GLN 530 HG2 GLN 530 -21.793 -1.053 -29.605 203 HG3 GLN 530 HG3 GLN 530 -23.051 -1.536 -28.486 204 HE21 GLN 530 HE21 GLN 530 -21.623 1.249 -30.110 205 HE22 GLN 530 HE22 GLN 530 -22.694 2.408 -29.340 206 H VAL 531 H VAL 531 -19.406 -0.418 -30.377 207 HA VAL 531 HA VAL 531 -19.276 -3.167 -31.361 208 HB VAL 531 HB VAL 531 -18.738 -0.447 -32.565 209 HG11 VAL 531 HG11 VAL 531 -18.681 -1.560 -34.817 210 HG12 VAL 531 HG12 VAL 531 -17.242 -1.795 -33.823 211 HG13 VAL 531 HG13 VAL 531 -18.445 -3.108 -33.987 212 HG21 VAL 531 HG21 VAL 531 -20.684 -0.892 -33.975 213 HG22 VAL 531 HG22 VAL 531 -20.901 -2.481 -33.207 214 HG23 VAL 531 HG23 VAL 531 -21.122 -0.995 -32.253 215 H CYS 532 H CYS 532 -16.869 -0.672 -30.507 216 HA CYS 532 HA CYS 532 -14.659 -2.448 -31.443 217 HB2 CYS 532 HB2 CYS 532 -14.771 0.509 -30.738 218 HB3 CYS 532 HB3 CYS 532 -13.284 -0.346 -31.171 219 H PHE 533 H PHE 533 -14.598 0.058 -28.872 220 HA PHE 533 HA PHE 533 -13.803 0.010 -26.712 221 HB2 PHE 533 HB2 PHE 533 -15.845 -1.681 -26.701 222 HB3 PHE 533 HB3 PHE 533 -14.625 -2.900 -26.408 223 HD1 PHE 533 HD2 PHE 533 -15.809 0.486 -25.256 224 HD2 PHE 533 HD1 PHE 533 -13.922 -3.227 -24.120 225 HE1 PHE 533 HE2 PHE 533 -15.876 1.178 -22.873 226 HE2 PHE 533 HE1 PHE 533 -13.982 -2.524 -21.740 227 HZ PHE 533 HZ PHE 533 -14.960 -0.323 -21.111 228 H LYS 534 H LYS 534 -11.814 -0.318 -28.578 229 HA LYS 534 HA LYS 534 -9.853 -2.026 -27.158 230 HB2 LYS 534 HB2 LYS 534 -11.186 -3.034 -29.436 231 HB3 LYS 534 HB3 LYS 534 -9.706 -2.402 -30.090 232 HG2 LYS 534 HG2 LYS 534 -9.392 -4.728 -29.569 233 HG3 LYS 534 HG3 LYS 534 -8.391 -3.782 -28.476 234 HD2 LYS 534 HD2 LYS 534 -9.443 -5.671 -27.328 235 HD3 LYS 534 HD3 LYS 534 -10.024 -4.152 -26.650 236 HE2 LYS 534 HE2 LYS 534 -12.075 -4.356 -28.140 237 HE3 LYS 534 HE3 LYS 534 -11.488 -5.947 -28.648 238 HZ1 LYS 534 HZ1 LYS 534 -11.618 -6.629 -26.298 239 HZ2 LYS 534 HZ2 LYS 534 -13.078 -6.116 -26.831 240 HZ3 LYS 534 HZ3 LYS 534 -12.175 -5.144 -25.875 241 H TYR 535 H TYR 535 -7.627 -1.832 -28.414 242 HA TYR 535 HA TYR 535 -7.093 1.073 -28.638 243 HB2 TYR 535 HB2 TYR 535 -5.414 -1.422 -28.246 244 HB3 TYR 535 HB3 TYR 535 -4.665 0.037 -28.865 245 HD1 TYR 535 HD1 TYR 535 -7.331 -0.279 -26.197 246 HD2 TYR 535 HD2 TYR 535 -3.260 0.746 -27.149 247 HE1 TYR 535 HE1 TYR 535 -7.133 0.883 -24.037 248 HE2 TYR 535 HE2 TYR 535 -2.991 1.768 -24.923 249 HH TYR 535 HH TYR 535 -5.753 2.079 -22.623 250 H PHE 536 H PHE 536 -6.196 2.108 -30.426 251 HA PHE 536 HA PHE 536 -5.731 0.523 -32.901 252 HB2 PHE 536 HB2 PHE 536 -7.642 2.880 -32.710 253 HB3 PHE 536 HB3 PHE 536 -7.140 2.117 -34.202 254 HD1 PHE 536 HD1 PHE 536 -9.277 1.823 -31.222 255 HD2 PHE 536 HD2 PHE 536 -8.049 -0.058 -34.902 256 HE1 PHE 536 HE1 PHE 536 -11.191 0.266 -31.064 257 HE2 PHE 536 HE2 PHE 536 -9.991 -1.597 -34.759 258 HZ PHE 536 HZ PHE 536 -11.566 -1.446 -32.839 259 H CYS 537 H CYS 537 -4.345 1.494 -34.377 260 HA CYS 537 HA CYS 537 -2.867 3.904 -33.482 261 HB2 CYS 537 HB2 CYS 537 -2.428 2.329 -36.047 262 HB3 CYS 537 HB3 CYS 537 -1.305 3.398 -35.212 263 H ARG 538 H ARG 538 -2.365 5.504 -35.420 264 HA ARG 538 HA ARG 538 -4.787 6.822 -36.088 265 HB2 ARG 538 HB2 ARG 538 -2.136 7.482 -36.204 266 HB3 ARG 538 HB3 ARG 538 -2.427 7.225 -37.911 267 HG2 ARG 538 HG2 ARG 538 -3.723 9.239 -36.041 268 HG3 ARG 538 HG3 ARG 538 -2.666 9.540 -37.405 269 HD2 ARG 538 HD2 ARG 538 -4.744 10.193 -38.218 270 HD3 ARG 538 HD3 ARG 538 -4.544 8.585 -38.899 271 HE ARG 538 HE ARG 538 -6.319 7.819 -37.630 272 HH11 ARG 538 HH11 ARG 538 -5.476 11.027 -36.388 273 HH12 ARG 538 HH12 ARG 538 -6.793 11.041 -35.254 274 HH21 ARG 538 HH21 ARG 538 -7.986 7.895 -36.091 275 HH22 ARG 538 HH22 ARG 538 -8.187 9.305 -35.104 276 H SER 539 H SER 539 -2.771 4.592 -38.062 277 HA SER 539 HA SER 539 -4.458 4.791 -40.425 278 HB2 SER 539 HB2 SER 539 -3.091 2.738 -41.120 279 HB3 SER 539 HB3 SER 539 -2.177 4.216 -40.774 280 HG SER 539 HG SER 539 -1.238 2.352 -39.772 281 H CYS 540 H CYS 540 -4.064 2.357 -37.794 282 HA CYS 540 HA CYS 540 -5.937 0.456 -38.797 283 HB2 CYS 540 HB2 CYS 540 -5.303 1.056 -35.893 284 HB3 CYS 540 HB3 CYS 540 -5.924 -0.457 -36.529 285 H TRP 541 H TRP 541 -6.362 3.376 -36.803 286 HA TRP 541 HA TRP 541 -9.111 2.939 -36.099 287 HB2 TRP 541 HB2 TRP 541 -7.685 4.561 -34.932 288 HB3 TRP 541 HB3 TRP 541 -7.452 5.486 -36.404 289 HD1 TRP 541 HD1 TRP 541 -9.688 6.745 -37.378 290 HE1 TRP 541 HE1 TRP 541 -11.778 7.675 -36.198 291 HE3 TRP 541 HE3 TRP 541 -8.977 4.694 -32.753 292 HZ2 TRP 541 HZ2 TRP 541 -13.160 7.222 -33.678 293 HZ3 TRP 541 HZ3 TRP 541 -10.629 5.051 -30.954 294 HH2 TRP 541 HH2 TRP 541 -12.763 6.234 -31.420 295 H HIS 542 H HIS 542 -7.537 4.782 -38.768 296 HA HIS 542 HA HIS 542 -9.918 5.693 -40.029 297 HB2 HIS 542 HB2 HIS 542 -7.668 6.535 -40.574 298 HB3 HIS 542 HB3 HIS 542 -7.208 4.968 -41.237 299 HD2 HIS 542 HD2 HIS 542 -7.688 4.574 -43.761 300 HE1 HIS 542 HE1 HIS 542 -10.322 7.836 -44.499 301 HE2 HIS 542 HE2 HIS 542 -9.043 5.913 -45.575 302 H TRP 543 H TRP 543 -8.050 2.637 -40.420 303 HA TRP 543 HA TRP 543 -9.609 1.546 -42.559 304 HB2 TRP 543 HB2 TRP 543 -7.439 0.640 -42.001 305 HB3 TRP 543 HB3 TRP 543 -7.933 0.276 -40.360 306 HD1 TRP 543 HD1 TRP 543 -8.330 -1.009 -43.930 307 HE1 TRP 543 HE1 TRP 543 -9.119 -3.450 -43.888 308 HE3 TRP 543 HE3 TRP 543 -9.218 -1.487 -38.903 309 HZ2 TRP 543 HZ2 TRP 543 -10.032 -5.364 -41.923 310 HZ3 TRP 543 HZ3 TRP 543 -10.105 -3.610 -37.988 311 HH2 TRP 543 HH2 TRP 543 -10.486 -5.563 -39.476 312 H ARG 544 H ARG 544 -9.886 1.190 -38.969 313 HA ARG 544 HA ARG 544 -12.002 -0.727 -39.035 314 HB2 ARG 544 HB2 ARG 544 -10.585 -0.342 -37.060 315 HB3 ARG 544 HB3 ARG 544 -11.219 1.293 -36.877 316 HG2 ARG 544 HG2 ARG 544 -12.229 -0.263 -35.270 317 HG3 ARG 544 HG3 ARG 544 -13.450 0.422 -36.329 318 HD2 ARG 544 HD2 ARG 544 -13.552 -1.633 -37.645 319 HD3 ARG 544 HD3 ARG 544 -12.185 -2.321 -36.741 320 HE ARG 544 HE ARG 544 -14.130 -1.665 -34.838 321 HH11 ARG 544 HH11 ARG 544 -14.049 -3.819 -37.642 322 HH12 ARG 544 HH12 ARG 544 -15.084 -4.995 -36.892 323 HH21 ARG 544 HH21 ARG 544 -15.474 -3.248 -33.918 324 HH22 ARG 544 HH22 ARG 544 -15.887 -4.662 -34.831 325 H HIS 545 H HIS 545 -12.100 2.837 -38.568 326 HA HIS 545 HA HIS 545 -15.006 2.762 -38.269 327 HB2 HIS 545 HB2 HIS 545 -13.041 5.108 -38.368 328 HB3 HIS 545 HB3 HIS 545 -14.747 5.203 -37.883 329 HD1 HIS 545 HD1 HIS 545 -11.397 4.258 -36.436 330 HD2 HIS 545 HD2 HIS 545 -15.434 3.374 -35.818 331 HE1 HIS 545 HE1 HIS 545 -11.537 3.176 -34.127 332 H SER 546 H SER 546 -13.060 2.738 -41.016 333 HA SER 546 HA SER 546 -14.663 4.407 -42.798 334 HB2 SER 546 HB2 SER 546 -12.337 3.654 -43.310 335 HB3 SER 546 HB3 SER 546 -12.945 1.979 -43.371 336 HG SER 546 HG SER 546 -12.749 2.984 -45.471 337 H MET 547 H MET 547 -14.871 1.139 -41.467 338 HA MET 547 HA MET 547 -16.581 -0.128 -43.308 339 HB2 MET 547 HB2 MET 547 -16.508 -0.387 -40.265 340 HB3 MET 547 HB3 MET 547 -17.300 -1.525 -41.359 341 HG2 MET 547 HG2 MET 547 -15.145 -2.027 -42.448 342 HG3 MET 547 HG3 MET 547 -14.325 -0.868 -41.401 343 HE1 MET 547 HE1 MET 547 -12.520 -2.538 -40.669 344 HE2 MET 547 HE2 MET 547 -12.863 -4.194 -40.127 345 HE3 MET 547 HE3 MET 547 -13.246 -3.709 -41.788 346 H GLU 548 H GLU 548 -18.781 -0.269 -43.618 347 HA GLU 548 HA GLU 548 -20.371 2.034 -43.172 348 HB2 GLU 548 HB2 GLU 548 -20.794 0.447 -44.984 349 HB3 GLU 548 HB3 GLU 548 -21.139 -0.841 -43.841 350 HG2 GLU 548 HG2 GLU 548 -23.175 0.034 -44.886 351 HG3 GLU 548 HG3 GLU 548 -23.201 0.221 -43.138 352 H GLY 549 H GLY 549 -21.670 2.711 -41.546 353 HA2 GLY 549 HA2 GLY 549 -23.277 2.400 -39.835 354 HA3 GLY 549 HA3 GLY 549 -22.720 0.733 -39.606 355 H LEU 550 H LEU 550 -19.857 2.274 -39.652 356 HA LEU 550 HA LEU 550 -19.900 2.806 -36.692 357 HB2 LEU 550 HB2 LEU 550 -17.695 1.787 -38.535 358 HB3 LEU 550 HB3 LEU 550 -17.424 2.371 -36.895 359 HG LEU 550 HG LEU 550 -18.870 0.615 -35.970 360 HD11 LEU 550 HD11 LEU 550 -19.286 -1.431 -37.232 361 HD12 LEU 550 HD12 LEU 550 -18.800 -0.610 -38.745 362 HD13 LEU 550 HD13 LEU 550 -20.245 -0.095 -37.831 363 HD21 LEU 550 HD21 LEU 550 -16.370 -0.064 -37.567 364 HD22 LEU 550 HD22 LEU 550 -17.077 -1.165 -36.371 365 HD23 LEU 550 HD23 LEU 550 -16.493 0.424 -35.859 366 H ARG 551 H ARG 551 -20.205 4.624 -39.324 367 HA ARG 551 HA ARG 551 -17.955 6.397 -39.343 368 HB2 ARG 551 HB2 ARG 551 -19.399 7.902 -40.627 369 HB3 ARG 551 HB3 ARG 551 -19.516 6.244 -41.206 370 HG2 ARG 551 HG2 ARG 551 -21.707 5.968 -40.119 371 HG3 ARG 551 HG3 ARG 551 -21.575 7.560 -39.365 372 HD2 ARG 551 HD2 ARG 551 -23.050 7.660 -41.319 373 HD3 ARG 551 HD3 ARG 551 -21.626 8.672 -41.526 374 HE ARG 551 HE ARG 551 -20.962 7.405 -43.321 375 HH11 ARG 551 HH11 ARG 551 -23.458 5.514 -41.657 376 HH12 ARG 551 HH12 ARG 551 -23.425 4.261 -42.882 377 HH21 ARG 551 HH21 ARG 551 -21.013 5.758 -44.846 378 HH22 ARG 551 HH22 ARG 551 -22.077 4.389 -44.620 379 H HIS 552 H HIS 552 -20.547 6.083 -37.061 380 HA HIS 552 HA HIS 552 -20.510 8.888 -36.185 381 HB2 HIS 552 HB2 HIS 552 -22.199 8.159 -34.571 382 HB3 HIS 552 HB3 HIS 552 -22.595 7.552 -36.174 383 HD2 HIS 552 HD2 HIS 552 -21.634 6.382 -32.669 384 HE1 HIS 552 HE1 HIS 552 -21.770 2.838 -34.994 385 HE2 HIS 552 HE2 HIS 552 -21.559 3.778 -32.620 386 H HIS 553 H HIS 553 -18.398 6.330 -35.689 387 HA HIS 553 HA HIS 553 -18.034 6.386 -32.833 388 HB2 HIS 553 HB2 HIS 553 -16.278 5.456 -35.126 389 HB3 HIS 553 HB3 HIS 553 -15.808 5.289 -33.442 390 HD2 HIS 553 HD2 HIS 553 -19.448 4.549 -34.426 391 HE1 HIS 553 HE1 HIS 553 -17.568 0.828 -33.604 392 HE2 HIS 553 HE2 HIS 553 -19.810 1.961 -34.075 393 H SER 554 H SER 554 -16.436 7.338 -31.552 394 HA SER 554 HA SER 554 -14.490 9.183 -32.773 395 HB2 SER 554 HB2 SER 554 -15.152 11.054 -31.226 396 HB3 SER 554 HB3 SER 554 -16.350 10.710 -32.477 397 HG SER 554 HG SER 554 -17.667 9.758 -30.994 398 HA PRO 555 HA PRO 555 -12.148 7.608 -29.349 399 HB2 PRO 555 HB2 PRO 555 -10.051 9.361 -29.262 400 HB3 PRO 555 HB3 PRO 555 -10.318 8.264 -30.647 401 HG2 PRO 555 HG2 PRO 555 -11.130 11.179 -30.401 402 HG3 PRO 555 HG3 PRO 555 -10.257 10.384 -31.750 403 HD2 PRO 555 HD2 PRO 555 -12.963 10.805 -31.783 404 HD3 PRO 555 HD3 PRO 555 -12.215 9.366 -32.543 405 H LEU 556 H LEU 556 -11.417 8.103 -27.140 406 HA LEU 556 HA LEU 556 -13.280 9.749 -25.689 407 HB2 LEU 556 HB2 LEU 556 -12.116 9.022 -23.732 408 HB3 LEU 556 HB3 LEU 556 -12.133 7.689 -24.865 409 HG LEU 556 HG LEU 556 -9.689 8.638 -25.504 410 HD11 LEU 556 HD11 LEU 556 -10.028 9.442 -22.565 411 HD12 LEU 556 HD12 LEU 556 -9.700 10.560 -23.898 412 HD13 LEU 556 HD13 LEU 556 -8.488 9.363 -23.447 413 HD21 LEU 556 HD21 LEU 556 -10.249 6.387 -24.708 414 HD22 LEU 556 HD22 LEU 556 -10.299 6.964 -23.030 415 HD23 LEU 556 HD23 LEU 556 -8.768 6.981 -23.941 416 H MET 557 H MET 557 -12.702 11.538 -24.210 417 HA MET 557 HA MET 557 -10.287 13.099 -24.850 418 HB2 MET 557 HB2 MET 557 -11.960 13.768 -26.600 419 HB3 MET 557 HB3 MET 557 -13.071 14.267 -25.330 420 HG2 MET 557 HG2 MET 557 -11.819 16.144 -26.375 421 HG3 MET 557 HG3 MET 557 -11.617 16.053 -24.643 422 HE1 MET 557 HE1 MET 557 -9.987 15.416 -28.146 423 HE2 MET 557 HE2 MET 557 -8.345 14.887 -27.727 424 HE3 MET 557 HE3 MET 557 -9.725 13.827 -27.389 425 H ARG 558 H ARG 558 -9.725 14.563 -23.233 426 HA ARG 558 HA ARG 558 -10.930 14.078 -20.616 427 HB2 ARG 558 HB2 ARG 558 -9.148 15.540 -19.780 428 HB3 ARG 558 HB3 ARG 558 -8.498 14.343 -20.895 429 HG2 ARG 558 HG2 ARG 558 -8.419 16.070 -22.703 430 HG3 ARG 558 HG3 ARG 558 -9.051 17.275 -21.563 431 HD2 ARG 558 HD2 ARG 558 -7.080 16.933 -20.108 432 HD3 ARG 558 HD3 ARG 558 -6.442 15.736 -21.256 433 HE ARG 558 HE ARG 558 -6.961 18.104 -22.704 434 HH11 ARG 558 HH11 ARG 558 -4.710 17.083 -20.172 435 HH12 ARG 558 HH12 ARG 558 -3.503 18.239 -20.652 436 HH21 ARG 558 HH21 ARG 558 -5.364 19.571 -23.270 437 HH22 ARG 558 HH22 ARG 558 -3.871 19.626 -22.384 438 H ASN 559 H ASN 559 -11.526 15.890 -19.136 439 HA ASN 559 HA ASN 559 -12.346 18.440 -20.299 440 HB2 ASN 559 HB2 ASN 559 -14.238 16.807 -20.917 441 HB3 ASN 559 HB3 ASN 559 -14.569 16.648 -19.202 442 HD21 ASN 559 HD21 ASN 559 -16.638 17.655 -19.230 443 HD22 ASN 559 HD22 ASN 559 -16.853 19.331 -19.691 444 H GLN 560 H GLN 560 -12.936 16.183 -17.529 445 HA GLN 560 HA GLN 560 -12.617 16.429 -15.253 446 HB2 GLN 560 HB2 GLN 560 -10.346 17.321 -16.315 447 HB3 GLN 560 HB3 GLN 560 -10.887 18.885 -15.725 448 HG2 GLN 560 HG2 GLN 560 -9.426 17.922 -14.089 449 HG3 GLN 560 HG3 GLN 560 -11.042 17.876 -13.398 450 HE21 GLN 560 HE21 GLN 560 -8.500 15.849 -14.960 451 HE22 GLN 560 HE22 GLN 560 -9.116 14.341 -14.302 452 H LYS 561 H LYS 561 -14.868 17.891 -16.562 453 HA LYS 561 HA LYS 561 -15.687 19.483 -14.261 454 HB2 LYS 561 HB2 LYS 561 -15.997 21.626 -15.408 455 HB3 LYS 561 HB3 LYS 561 -14.311 21.158 -15.472 456 HG2 LYS 561 HG2 LYS 561 -14.734 20.286 -17.837 457 HG3 LYS 561 HG3 LYS 561 -16.354 20.980 -17.729 458 HD2 LYS 561 HD2 LYS 561 -14.987 22.527 -18.915 459 HD3 LYS 561 HD3 LYS 561 -15.295 23.234 -17.319 460 HE2 LYS 561 HE2 LYS 561 -13.054 22.464 -16.552 461 HE3 LYS 561 HE3 LYS 561 -12.777 21.683 -18.111 462 HZ1 LYS 561 HZ1 LYS 561 -13.134 24.604 -17.711 463 HZ2 LYS 561 HZ2 LYS 561 -12.873 23.879 -19.154 464 HZ3 LYS 561 HZ3 LYS 561 -11.713 23.856 -18.005 465 H ASN 562 H ASN 562 -17.918 20.567 -14.777 466 HA ASN 562 HA ASN 562 -19.473 19.200 -16.881 467 HB2 ASN 562 HB2 ASN 562 -19.510 17.596 -14.955 468 HB3 ASN 562 HB3 ASN 562 -20.144 18.872 -13.920 469 HD21 ASN 562 HD21 ASN 562 -22.157 17.873 -13.456 470 HD22 ASN 562 HD22 ASN 562 -23.357 17.573 -14.702 471 H ARG 563 H ARG 563 -21.257 20.379 -17.525 472 HA ARG 563 HA ARG 563 -22.160 22.684 -15.876 473 HB2 ARG 563 HB2 ARG 563 -21.068 22.913 -18.714 474 HB3 ARG 563 HB3 ARG 563 -22.023 24.166 -17.940 475 HG2 ARG 563 HG2 ARG 563 -19.302 23.207 -16.957 476 HG3 ARG 563 HG3 ARG 563 -19.612 24.648 -17.917 477 HD2 ARG 563 HD2 ARG 563 -21.024 25.588 -16.126 478 HD3 ARG 563 HD3 ARG 563 -20.737 24.175 -15.119 479 HE ARG 563 HE ARG 563 -18.853 26.350 -15.770 480 HH11 ARG 563 HH11 ARG 563 -19.162 23.175 -14.217 481 HH12 ARG 563 HH12 ARG 563 -17.751 23.438 -13.226 482 HH21 ARG 563 HH21 ARG 563 -17.026 26.581 -14.510 483 HH22 ARG 563 HH22 ARG 563 -16.539 25.315 -13.426 484 H ASP 564 H ASP 564 -24.229 23.502 -16.488 485 HA ASP 564 HA ASP 564 -26.013 21.497 -17.629 486 HB2 ASP 564 HB2 ASP 564 -26.597 23.063 -15.733 487 HB3 ASP 564 HB3 ASP 564 -26.581 24.403 -16.880 488 H SER 565 H SER 565 -27.405 21.799 -19.481 489 HA SER 565 HA SER 565 -26.024 22.784 -21.806 490 HB2 SER 565 HB2 SER 565 -28.962 22.031 -21.497 491 HB3 SER 565 HB3 SER 565 -28.059 22.142 -23.018 492 HG SER 565 HG SER 565 -28.220 19.966 -22.255 493 H SER 566 H SER 566 -28.240 24.313 -19.551 494 HA SER 566 HA SER 566 -27.996 26.874 -20.988 495 HB2 SER 566 HB2 SER 566 -29.946 25.834 -22.121 496 HB3 SER 566 HB3 SER 566 -30.732 25.598 -20.550 497 HG SER 566 HG SER 566 -31.441 27.524 -21.643 Start of MODEL 20 1 H1 GLY 502 H1 GLY 502 -19.014 11.367 -10.749 2 H2 GLY 502 H2 GLY 502 -18.543 12.405 -11.892 3 H3 GLY 502 H3 GLY 502 -17.919 12.505 -10.415 4 HA2 GLY 502 HA2 GLY 502 -16.685 10.422 -10.703 5 HA3 GLY 502 HA3 GLY 502 -17.382 10.304 -12.331 6 HA PRO 503 HA PRO 503 -13.304 12.696 -12.405 7 HB2 PRO 503 HB2 PRO 503 -11.736 10.899 -13.765 8 HB3 PRO 503 HB3 PRO 503 -12.010 10.796 -12.002 9 HG2 PRO 503 HG2 PRO 503 -13.459 9.281 -14.199 10 HG3 PRO 503 HG3 PRO 503 -12.717 8.620 -12.707 11 HD2 PRO 503 HD2 PRO 503 -15.383 9.190 -12.890 12 HD3 PRO 503 HD3 PRO 503 -14.473 9.440 -11.365 13 H VAL 504 H VAL 504 -12.231 13.631 -14.306 14 HA VAL 504 HA VAL 504 -14.071 13.800 -16.628 15 HB VAL 504 HB VAL 504 -12.578 15.666 -17.347 16 HG11 VAL 504 HG11 VAL 504 -13.462 15.921 -14.440 17 HG12 VAL 504 HG12 VAL 504 -13.211 17.240 -15.598 18 HG13 VAL 504 HG13 VAL 504 -14.521 16.076 -15.853 19 HG21 VAL 504 HG21 VAL 504 -10.398 14.904 -16.337 20 HG22 VAL 504 HG22 VAL 504 -10.826 16.559 -15.898 21 HG23 VAL 504 HG23 VAL 504 -11.053 15.249 -14.726 22 H GLN 505 H GLN 505 -12.846 11.284 -16.378 23 HA GLN 505 HA GLN 505 -11.425 11.046 -18.927 24 HB2 GLN 505 HB2 GLN 505 -9.567 11.732 -17.471 25 HB3 GLN 505 HB3 GLN 505 -10.011 10.528 -16.276 26 HG2 GLN 505 HG2 GLN 505 -8.038 9.809 -17.468 27 HG3 GLN 505 HG3 GLN 505 -9.357 8.707 -17.799 28 HE21 GLN 505 HE21 GLN 505 -9.323 8.049 -19.953 29 HE22 GLN 505 HE22 GLN 505 -8.826 9.104 -21.281 30 H ILE 506 H ILE 506 -11.672 9.015 -19.788 31 HA ILE 506 HA ILE 506 -13.146 7.002 -18.154 32 HB ILE 506 HB ILE 506 -13.992 7.612 -20.401 33 HG12 ILE 506 HG12 ILE 506 -13.062 4.714 -20.268 34 HG13 ILE 506 HG13 ILE 506 -14.422 5.394 -19.368 35 HG21 ILE 506 HG21 ILE 506 -11.776 8.015 -21.541 36 HG22 ILE 506 HG22 ILE 506 -11.555 6.252 -21.619 37 HG23 ILE 506 HG23 ILE 506 -12.901 7.029 -22.468 38 HD11 ILE 506 HD11 ILE 506 -15.279 4.244 -21.295 39 HD12 ILE 506 HD12 ILE 506 -15.510 5.985 -21.562 40 HD13 ILE 506 HD13 ILE 506 -14.192 5.109 -22.388 41 H ASP 507 H ASP 507 -12.349 4.958 -17.707 42 HA ASP 507 HA ASP 507 -9.413 4.606 -18.108 43 HB2 ASP 507 HB2 ASP 507 -10.244 4.643 -15.780 44 HB3 ASP 507 HB3 ASP 507 -11.328 3.299 -16.128 45 HA PRO 508 HA PRO 508 -10.812 1.370 -20.955 46 HB2 PRO 508 HB2 PRO 508 -8.535 1.117 -22.420 47 HB3 PRO 508 HB3 PRO 508 -9.557 2.581 -22.526 48 HG2 PRO 508 HG2 PRO 508 -7.051 2.188 -20.857 49 HG3 PRO 508 HG3 PRO 508 -7.436 3.540 -21.966 50 HD2 PRO 508 HD2 PRO 508 -7.869 3.649 -19.251 51 HD3 PRO 508 HD3 PRO 508 -8.921 4.503 -20.427 52 H TYR 509 H TYR 509 -8.702 1.235 -18.319 53 HA TYR 509 HA TYR 509 -7.787 -0.486 -17.077 54 HB2 TYR 509 HB2 TYR 509 -9.236 -2.500 -18.854 55 HB3 TYR 509 HB3 TYR 509 -8.749 -2.664 -17.185 56 HD1 TYR 509 HD1 TYR 509 -9.747 -0.567 -15.640 57 HD2 TYR 509 HD2 TYR 509 -11.554 -2.290 -19.154 58 HE1 TYR 509 HE1 TYR 509 -11.976 0.209 -14.866 59 HE2 TYR 509 HE2 TYR 509 -13.792 -1.516 -18.385 60 HH TYR 509 HH TYR 509 -14.233 0.296 -15.314 61 H LEU 510 H LEU 510 -6.541 0.467 -19.681 62 HA LEU 510 HA LEU 510 -4.564 -1.755 -19.974 63 HB2 LEU 510 HB2 LEU 510 -5.899 -0.155 -22.185 64 HB3 LEU 510 HB3 LEU 510 -4.454 -1.114 -22.452 65 HG LEU 510 HG LEU 510 -7.111 -2.265 -21.487 66 HD11 LEU 510 HD11 LEU 510 -5.906 -2.176 -24.279 67 HD12 LEU 510 HD12 LEU 510 -7.373 -1.336 -23.724 68 HD13 LEU 510 HD13 LEU 510 -7.351 -3.102 -23.808 69 HD21 LEU 510 HD21 LEU 510 -4.654 -3.681 -22.608 70 HD22 LEU 510 HD22 LEU 510 -6.176 -4.439 -22.112 71 HD23 LEU 510 HD23 LEU 510 -5.141 -3.681 -20.899 72 H GLU 511 H GLU 511 -2.433 -1.057 -20.619 73 HA GLU 511 HA GLU 511 -1.879 1.858 -20.583 74 HB2 GLU 511 HB2 GLU 511 -0.737 -0.104 -18.534 75 HB3 GLU 511 HB3 GLU 511 -0.084 1.504 -18.851 76 HG2 GLU 511 HG2 GLU 511 -2.281 2.502 -18.184 77 HG3 GLU 511 HG3 GLU 511 -2.844 0.884 -17.735 78 H ASP 512 H ASP 512 -0.620 2.192 -22.309 79 HA ASP 512 HA ASP 512 0.900 1.839 -24.022 80 HB2 ASP 512 HB2 ASP 512 2.496 0.436 -21.813 81 HB3 ASP 512 HB3 ASP 512 3.140 1.039 -23.334 82 H SER 513 H SER 513 -1.187 -0.054 -23.951 83 HA SER 513 HA SER 513 -0.041 -2.729 -24.344 84 HB2 SER 513 HB2 SER 513 -2.893 -1.691 -24.660 85 HB3 SER 513 HB3 SER 513 -2.408 -3.394 -24.708 86 HG SER 513 HG SER 513 -1.685 -3.197 -22.535 87 H LEU 514 H LEU 514 -0.164 -3.962 -26.276 88 HA LEU 514 HA LEU 514 0.382 -2.517 -28.704 89 HB2 LEU 514 HB2 LEU 514 0.009 -5.416 -27.934 90 HB3 LEU 514 HB3 LEU 514 -0.097 -4.994 -29.622 91 HG LEU 514 HG LEU 514 2.100 -5.790 -29.093 92 HD11 LEU 514 HD11 LEU 514 3.383 -4.143 -30.235 93 HD12 LEU 514 HD12 LEU 514 2.360 -2.820 -29.664 94 HD13 LEU 514 HD13 LEU 514 1.729 -3.978 -30.857 95 HD21 LEU 514 HD21 LEU 514 2.450 -3.384 -27.253 96 HD22 LEU 514 HD22 LEU 514 3.678 -4.594 -27.672 97 HD23 LEU 514 HD23 LEU 514 2.256 -5.072 -26.727 98 H CYS 515 H CYS 515 -0.844 -2.176 -30.536 99 HA CYS 515 HA CYS 515 -3.671 -1.839 -30.309 100 HB2 CYS 515 HB2 CYS 515 -2.336 -0.630 -31.957 101 HB3 CYS 515 HB3 CYS 515 -1.830 -2.142 -32.698 102 H HIS 516 H HIS 516 -5.344 -3.212 -30.534 103 HA HIS 516 HA HIS 516 -4.871 -6.020 -30.522 104 HB2 HIS 516 HB2 HIS 516 -7.417 -4.405 -30.927 105 HB3 HIS 516 HB3 HIS 516 -7.391 -6.154 -30.670 106 HD2 HIS 516 HD2 HIS 516 -7.335 -6.999 -28.212 107 HE1 HIS 516 HE1 HIS 516 -6.468 -3.333 -26.232 108 HE2 HIS 516 HE2 HIS 516 -7.071 -5.787 -25.894 109 H ILE 517 H ILE 517 -5.343 -3.815 -33.203 110 HA ILE 517 HA ILE 517 -6.349 -5.844 -35.070 111 HB ILE 517 HB ILE 517 -5.297 -3.010 -35.571 112 HG12 ILE 517 HG12 ILE 517 -7.218 -2.811 -34.163 113 HG13 ILE 517 HG13 ILE 517 -7.702 -2.406 -35.797 114 HG21 ILE 517 HG21 ILE 517 -6.572 -3.173 -37.712 115 HG22 ILE 517 HG22 ILE 517 -5.181 -4.252 -37.642 116 HG23 ILE 517 HG23 ILE 517 -6.816 -4.906 -37.406 117 HD11 ILE 517 HD11 ILE 517 -9.449 -3.721 -34.757 118 HD12 ILE 517 HD12 ILE 517 -8.715 -4.711 -36.027 119 HD13 ILE 517 HD13 ILE 517 -8.319 -5.001 -34.316 120 H CYS 518 H CYS 518 -3.339 -3.817 -35.117 121 HA CYS 518 HA CYS 518 -2.112 -5.720 -36.988 122 HB2 CYS 518 HB2 CYS 518 -0.291 -4.056 -37.067 123 HB3 CYS 518 HB3 CYS 518 -1.881 -3.363 -37.388 124 H SER 519 H SER 519 -1.780 -4.827 -33.562 125 HA SER 519 HA SER 519 -0.589 -5.762 -31.808 126 HB2 SER 519 HB2 SER 519 -0.263 -8.061 -31.765 127 HB3 SER 519 HB3 SER 519 -1.615 -7.859 -32.868 128 HG SER 519 HG SER 519 0.088 -8.008 -34.571 129 H SER 520 H SER 520 0.921 -4.619 -34.478 130 HA SER 520 HA SER 520 3.673 -5.488 -33.734 131 HB2 SER 520 HB2 SER 520 4.312 -4.324 -35.849 132 HB3 SER 520 HB3 SER 520 3.112 -5.603 -36.094 133 HG SER 520 HG SER 520 2.587 -3.649 -37.229 134 H GLN 521 H GLN 521 1.489 -2.896 -33.147 135 HA GLN 521 HA GLN 521 3.625 -1.240 -31.958 136 HB2 GLN 521 HB2 GLN 521 1.767 -0.233 -34.165 137 HB3 GLN 521 HB3 GLN 521 2.711 0.823 -33.130 138 HG2 GLN 521 HG2 GLN 521 4.815 -0.227 -33.997 139 HG3 GLN 521 HG3 GLN 521 3.833 -1.177 -35.126 140 HE21 GLN 521 HE21 GLN 521 2.436 0.077 -36.708 141 HE22 GLN 521 HE22 GLN 521 3.054 1.634 -37.241 142 HA PRO 522 HA PRO 522 0.300 -0.480 -29.104 143 HB2 PRO 522 HB2 PRO 522 1.099 1.825 -27.871 144 HB3 PRO 522 HB3 PRO 522 1.961 0.275 -27.666 145 HG2 PRO 522 HG2 PRO 522 2.666 2.548 -29.551 146 HG3 PRO 522 HG3 PRO 522 3.749 1.660 -28.433 147 HD2 PRO 522 HD2 PRO 522 3.546 1.043 -31.089 148 HD3 PRO 522 HD3 PRO 522 3.827 -0.216 -29.846 149 H GLY 523 H GLY 523 -1.682 0.558 -29.024 150 HA2 GLY 523 HA2 GLY 523 -2.169 2.539 -31.191 151 HA3 GLY 523 HA3 GLY 523 -3.392 1.566 -30.366 152 HA PRO 524 HA PRO 524 -2.353 5.582 -27.837 153 HB2 PRO 524 HB2 PRO 524 -2.288 7.840 -29.393 154 HB3 PRO 524 HB3 PRO 524 -0.850 6.821 -29.105 155 HG2 PRO 524 HG2 PRO 524 -2.704 6.791 -31.497 156 HG3 PRO 524 HG3 PRO 524 -0.913 6.828 -31.488 157 HD2 PRO 524 HD2 PRO 524 -2.354 4.527 -31.787 158 HD3 PRO 524 HD3 PRO 524 -0.777 4.553 -30.933 159 H PHE 525 H PHE 525 -4.572 4.994 -30.475 160 HA PHE 525 HA PHE 525 -6.631 6.812 -29.319 161 HB2 PHE 525 HB2 PHE 525 -6.644 5.163 -31.888 162 HB3 PHE 525 HB3 PHE 525 -7.916 6.250 -31.358 163 HD1 PHE 525 HD2 PHE 525 -7.461 8.729 -31.134 164 HD2 PHE 525 HD1 PHE 525 -4.722 6.028 -33.094 165 HE1 PHE 525 HE2 PHE 525 -6.349 10.654 -32.240 166 HE2 PHE 525 HE1 PHE 525 -3.597 7.958 -34.161 167 HZ PHE 525 HZ PHE 525 -4.410 10.272 -33.752 168 H PHE 526 H PHE 526 -8.573 6.065 -28.503 169 HA PHE 526 HA PHE 526 -9.006 3.117 -28.403 170 HB2 PHE 526 HB2 PHE 526 -8.026 3.656 -26.252 171 HB3 PHE 526 HB3 PHE 526 -9.060 5.058 -26.062 172 HD1 PHE 526 HD2 PHE 526 -8.950 1.361 -25.988 173 HD2 PHE 526 HD1 PHE 526 -11.369 4.843 -25.257 174 HE1 PHE 526 HE2 PHE 526 -10.615 -0.053 -24.803 175 HE2 PHE 526 HE1 PHE 526 -13.037 3.432 -24.073 176 HZ PHE 526 HZ PHE 526 -12.657 0.985 -23.841 177 H CYS 527 H CYS 527 -11.006 2.578 -29.020 178 HA CYS 527 HA CYS 527 -13.024 4.754 -29.328 179 HB2 CYS 527 HB2 CYS 527 -12.447 3.338 -31.300 180 HB3 CYS 527 HB3 CYS 527 -12.988 1.911 -30.413 181 H ARG 528 H ARG 528 -14.895 4.812 -28.171 182 HA ARG 528 HA ARG 528 -15.030 2.977 -25.855 183 HB2 ARG 528 HB2 ARG 528 -16.788 5.399 -26.437 184 HB3 ARG 528 HB3 ARG 528 -16.520 4.601 -24.894 185 HG2 ARG 528 HG2 ARG 528 -14.932 6.130 -24.457 186 HG3 ARG 528 HG3 ARG 528 -13.919 5.334 -25.648 187 HD2 ARG 528 HD2 ARG 528 -13.932 7.584 -26.313 188 HD3 ARG 528 HD3 ARG 528 -15.098 6.842 -27.410 189 HE ARG 528 HE ARG 528 -16.290 7.882 -24.954 190 HH11 ARG 528 HH21 ARG 528 -15.373 8.869 -28.247 191 HH12 ARG 528 HH22 ARG 528 -16.384 10.281 -28.168 192 HH21 ARG 528 HH11 ARG 528 -17.607 9.676 -24.983 193 HH22 ARG 528 HH12 ARG 528 -17.666 10.698 -26.385 194 H ASP 529 H ASP 529 -16.513 3.141 -28.939 195 HA ASP 529 HA ASP 529 -19.217 2.445 -28.324 196 HB2 ASP 529 HB2 ASP 529 -18.197 3.232 -30.576 197 HB3 ASP 529 HB3 ASP 529 -17.716 1.536 -30.805 198 H GLN 530 H GLN 530 -20.311 0.442 -28.320 199 HA GLN 530 HA GLN 530 -18.972 -1.742 -27.049 200 HB2 GLN 530 HB2 GLN 530 -21.424 -1.186 -26.916 201 HB3 GLN 530 HB3 GLN 530 -21.621 -1.772 -28.571 202 HG2 GLN 530 HG2 GLN 530 -20.943 -4.043 -27.856 203 HG3 GLN 530 HG3 GLN 530 -20.602 -3.448 -26.226 204 HE21 GLN 530 HE21 GLN 530 -23.294 -3.829 -28.631 205 HE22 GLN 530 HE22 GLN 530 -24.532 -3.986 -27.395 206 H VAL 531 H VAL 531 -19.483 -0.920 -30.463 207 HA VAL 531 HA VAL 531 -19.042 -3.555 -31.592 208 HB VAL 531 HB VAL 531 -18.691 -0.726 -32.617 209 HG11 VAL 531 HG11 VAL 531 -17.069 -1.896 -33.919 210 HG12 VAL 531 HG12 VAL 531 -18.201 -3.245 -34.230 211 HG13 VAL 531 HG13 VAL 531 -18.505 -1.632 -34.915 212 HG21 VAL 531 HG21 VAL 531 -20.586 -1.244 -34.083 213 HG22 VAL 531 HG22 VAL 531 -20.660 -2.899 -33.440 214 HG23 VAL 531 HG23 VAL 531 -21.036 -1.519 -32.384 215 H CYS 532 H CYS 532 -16.853 -0.936 -30.538 216 HA CYS 532 HA CYS 532 -14.496 -2.505 -31.486 217 HB2 CYS 532 HB2 CYS 532 -14.856 0.416 -30.724 218 HB3 CYS 532 HB3 CYS 532 -13.293 -0.312 -31.127 219 H PHE 533 H PHE 533 -14.599 -0.054 -28.875 220 HA PHE 533 HA PHE 533 -13.775 -0.083 -26.723 221 HB2 PHE 533 HB2 PHE 533 -15.822 -1.717 -26.670 222 HB3 PHE 533 HB3 PHE 533 -14.641 -2.993 -26.473 223 HD1 PHE 533 HD2 PHE 533 -15.586 0.409 -25.127 224 HD2 PHE 533 HD1 PHE 533 -13.942 -3.480 -24.225 225 HE1 PHE 533 HE2 PHE 533 -15.536 0.984 -22.715 226 HE2 PHE 533 HE1 PHE 533 -13.881 -2.890 -21.814 227 HZ PHE 533 HZ PHE 533 -14.678 -0.659 -21.055 228 H LYS 534 H LYS 534 -11.720 -0.310 -28.444 229 HA LYS 534 HA LYS 534 -9.747 -1.928 -26.999 230 HB2 LYS 534 HB2 LYS 534 -9.071 -3.309 -28.921 231 HB3 LYS 534 HB3 LYS 534 -10.726 -3.629 -28.473 232 HG2 LYS 534 HG2 LYS 534 -11.450 -2.103 -30.394 233 HG3 LYS 534 HG3 LYS 534 -9.742 -2.001 -30.845 234 HD2 LYS 534 HD2 LYS 534 -10.803 -3.644 -32.238 235 HD3 LYS 534 HD3 LYS 534 -9.695 -4.477 -31.143 236 HE2 LYS 534 HE2 LYS 534 -11.623 -5.068 -29.661 237 HE3 LYS 534 HE3 LYS 534 -12.718 -4.242 -30.772 238 HZ1 LYS 534 HZ1 LYS 534 -12.673 -6.625 -31.181 239 HZ2 LYS 534 HZ2 LYS 534 -11.063 -6.614 -31.450 240 HZ3 LYS 534 HZ3 LYS 534 -12.074 -5.852 -32.488 241 H TYR 535 H TYR 535 -7.539 -1.820 -28.331 242 HA TYR 535 HA TYR 535 -7.059 1.072 -28.690 243 HB2 TYR 535 HB2 TYR 535 -5.313 -1.388 -28.332 244 HB3 TYR 535 HB3 TYR 535 -4.628 0.089 -28.969 245 HD1 TYR 535 HD1 TYR 535 -7.268 0.082 -26.314 246 HD2 TYR 535 HD2 TYR 535 -3.079 0.468 -27.216 247 HE1 TYR 535 HE1 TYR 535 -6.930 1.209 -24.165 248 HE2 TYR 535 HE2 TYR 535 -2.692 1.526 -25.019 249 HH TYR 535 HH TYR 535 -3.683 2.351 -23.086 250 H PHE 536 H PHE 536 -6.145 2.074 -30.500 251 HA PHE 536 HA PHE 536 -5.773 0.454 -32.970 252 HB2 PHE 536 HB2 PHE 536 -7.562 2.896 -32.763 253 HB3 PHE 536 HB3 PHE 536 -7.115 2.109 -34.259 254 HD1 PHE 536 HD2 PHE 536 -8.066 -0.082 -34.900 255 HD2 PHE 536 HD1 PHE 536 -9.298 1.993 -31.327 256 HE1 PHE 536 HE2 PHE 536 -10.106 -1.488 -34.785 257 HE2 PHE 536 HE1 PHE 536 -11.321 0.583 -31.208 258 HZ PHE 536 HZ PHE 536 -11.746 -1.157 -32.946 259 H CYS 537 H CYS 537 -4.401 1.388 -34.502 260 HA CYS 537 HA CYS 537 -2.811 3.741 -33.622 261 HB2 CYS 537 HB2 CYS 537 -2.431 2.105 -36.161 262 HB3 CYS 537 HB3 CYS 537 -1.276 3.163 -35.360 263 H ARG 538 H ARG 538 -2.282 5.336 -35.525 264 HA ARG 538 HA ARG 538 -4.670 6.677 -36.292 265 HB2 ARG 538 HB2 ARG 538 -3.191 7.974 -37.843 266 HB3 ARG 538 HB3 ARG 538 -2.604 7.878 -36.193 267 HG2 ARG 538 HG2 ARG 538 -0.942 6.158 -36.853 268 HG3 ARG 538 HG3 ARG 538 -1.533 6.229 -38.520 269 HD2 ARG 538 HD2 ARG 538 0.475 7.563 -38.363 270 HD3 ARG 538 HD3 ARG 538 -0.901 8.615 -38.657 271 HE ARG 538 HE ARG 538 -0.613 9.620 -36.598 272 HH11 ARG 538 HH11 ARG 538 1.466 6.752 -36.630 273 HH12 ARG 538 HH12 ARG 538 2.263 7.209 -35.154 274 HH21 ARG 538 HH21 ARG 538 0.451 10.140 -34.706 275 HH22 ARG 538 HH22 ARG 538 1.697 9.100 -34.085 276 H SER 539 H SER 539 -2.761 4.210 -38.032 277 HA SER 539 HA SER 539 -4.294 4.465 -40.516 278 HB2 SER 539 HB2 SER 539 -3.029 2.293 -41.056 279 HB3 SER 539 HB3 SER 539 -2.046 3.738 -40.755 280 HG SER 539 HG SER 539 -1.255 1.878 -39.619 281 H CYS 540 H CYS 540 -4.138 2.111 -37.788 282 HA CYS 540 HA CYS 540 -6.075 0.293 -38.834 283 HB2 CYS 540 HB2 CYS 540 -5.494 0.831 -35.908 284 HB3 CYS 540 HB3 CYS 540 -6.099 -0.666 -36.607 285 H TRP 541 H TRP 541 -6.396 3.227 -36.831 286 HA TRP 541 HA TRP 541 -9.161 2.885 -36.135 287 HB2 TRP 541 HB2 TRP 541 -7.667 4.466 -34.972 288 HB3 TRP 541 HB3 TRP 541 -7.442 5.394 -36.445 289 HD1 TRP 541 HD1 TRP 541 -9.606 6.746 -37.362 290 HE1 TRP 541 HE1 TRP 541 -11.699 7.686 -36.191 291 HE3 TRP 541 HE3 TRP 541 -9.043 4.511 -32.809 292 HZ2 TRP 541 HZ2 TRP 541 -13.126 7.207 -33.689 293 HZ3 TRP 541 HZ3 TRP 541 -10.692 4.877 -31.015 294 HH2 TRP 541 HH2 TRP 541 -12.776 6.158 -31.456 295 H HIS 542 H HIS 542 -7.516 4.635 -38.816 296 HA HIS 542 HA HIS 542 -9.850 5.630 -40.097 297 HB2 HIS 542 HB2 HIS 542 -7.591 6.380 -40.677 298 HB3 HIS 542 HB3 HIS 542 -7.159 4.773 -41.258 299 HD2 HIS 542 HD2 HIS 542 -7.587 4.284 -43.767 300 HE1 HIS 542 HE1 HIS 542 -10.213 7.506 -44.690 301 HE2 HIS 542 HE2 HIS 542 -8.919 5.536 -45.660 302 H TRP 543 H TRP 543 -8.052 2.529 -40.556 303 HA TRP 543 HA TRP 543 -9.694 1.459 -42.624 304 HB2 TRP 543 HB2 TRP 543 -7.590 0.426 -42.139 305 HB3 TRP 543 HB3 TRP 543 -7.990 0.200 -40.447 306 HD1 TRP 543 HD1 TRP 543 -8.811 -1.266 -43.892 307 HE1 TRP 543 HE1 TRP 543 -9.757 -3.634 -43.617 308 HE3 TRP 543 HE3 TRP 543 -9.109 -1.432 -38.776 309 HZ2 TRP 543 HZ2 TRP 543 -10.639 -5.342 -41.456 310 HZ3 TRP 543 HZ3 TRP 543 -10.045 -3.424 -37.642 311 HH2 TRP 543 HH2 TRP 543 -10.814 -5.383 -38.964 312 H ARG 544 H ARG 544 -9.951 1.157 -39.030 313 HA ARG 544 HA ARG 544 -12.106 -0.706 -39.044 314 HB2 ARG 544 HB2 ARG 544 -10.681 -0.321 -37.087 315 HB3 ARG 544 HB3 ARG 544 -11.234 1.342 -36.959 316 HG2 ARG 544 HG2 ARG 544 -12.288 0.052 -35.260 317 HG3 ARG 544 HG3 ARG 544 -13.531 0.546 -36.378 318 HD2 ARG 544 HD2 ARG 544 -12.202 -2.192 -36.551 319 HD3 ARG 544 HD3 ARG 544 -13.556 -1.866 -35.456 320 HE ARG 544 HE ARG 544 -14.340 -0.951 -38.000 321 HH11 ARG 544 HH11 ARG 544 -13.623 -4.092 -36.527 322 HH12 ARG 544 HH12 ARG 544 -14.774 -4.919 -37.533 323 HH21 ARG 544 HH21 ARG 544 -15.825 -2.060 -39.209 324 HH22 ARG 544 HH22 ARG 544 -15.996 -3.783 -39.044 325 H HIS 545 H HIS 545 -12.138 2.874 -38.659 326 HA HIS 545 HA HIS 545 -15.069 2.828 -38.415 327 HB2 HIS 545 HB2 HIS 545 -13.079 5.150 -38.351 328 HB3 HIS 545 HB3 HIS 545 -14.790 5.226 -37.890 329 HD1 HIS 545 HD1 HIS 545 -11.460 4.270 -36.436 330 HD2 HIS 545 HD2 HIS 545 -15.501 3.367 -35.847 331 HE1 HIS 545 HE1 HIS 545 -11.614 3.160 -34.137 332 H SER 546 H SER 546 -12.940 3.015 -41.076 333 HA SER 546 HA SER 546 -14.407 4.811 -42.814 334 HB2 SER 546 HB2 SER 546 -12.139 4.058 -43.356 335 HB3 SER 546 HB3 SER 546 -12.702 2.366 -43.421 336 HG SER 546 HG SER 546 -12.498 3.363 -45.512 337 H MET 547 H MET 547 -14.792 1.417 -41.837 338 HA MET 547 HA MET 547 -16.648 0.542 -43.794 339 HB2 MET 547 HB2 MET 547 -16.592 -0.204 -40.836 340 HB3 MET 547 HB3 MET 547 -17.300 -1.147 -42.150 341 HG2 MET 547 HG2 MET 547 -14.344 -0.563 -41.703 342 HG3 MET 547 HG3 MET 547 -15.163 -2.098 -41.488 343 HE1 MET 547 HE1 MET 547 -13.201 -3.212 -42.792 344 HE2 MET 547 HE2 MET 547 -12.694 -2.739 -44.427 345 HE3 MET 547 HE3 MET 547 -12.450 -1.626 -43.067 346 H GLU 548 H GLU 548 -18.838 0.727 -44.054 347 HA GLU 548 HA GLU 548 -20.187 2.998 -42.950 348 HB2 GLU 548 HB2 GLU 548 -21.235 0.538 -44.425 349 HB3 GLU 548 HB3 GLU 548 -22.222 1.946 -44.012 350 HG2 GLU 548 HG2 GLU 548 -20.719 3.410 -45.331 351 HG3 GLU 548 HG3 GLU 548 -19.742 2.010 -45.785 352 H GLY 549 H GLY 549 -21.808 3.196 -41.394 353 HA2 GLY 549 HA2 GLY 549 -23.351 2.367 -39.770 354 HA3 GLY 549 HA3 GLY 549 -22.559 0.781 -39.824 355 H LEU 550 H LEU 550 -19.866 2.391 -39.642 356 HA LEU 550 HA LEU 550 -19.941 2.770 -36.659 357 HB2 LEU 550 HB2 LEU 550 -17.705 1.876 -38.531 358 HB3 LEU 550 HB3 LEU 550 -17.447 2.393 -36.867 359 HG LEU 550 HG LEU 550 -18.857 0.574 -36.021 360 HD11 LEU 550 HD11 LEU 550 -19.245 -1.423 -37.376 361 HD12 LEU 550 HD12 LEU 550 -18.778 -0.527 -38.851 362 HD13 LEU 550 HD13 LEU 550 -20.230 -0.081 -37.915 363 HD21 LEU 550 HD21 LEU 550 -17.040 -1.160 -36.527 364 HD22 LEU 550 HD22 LEU 550 -16.481 0.409 -35.932 365 HD23 LEU 550 HD23 LEU 550 -16.368 0.018 -37.667 366 H ARG 551 H ARG 551 -20.346 4.694 -39.147 367 HA ARG 551 HA ARG 551 -18.123 6.512 -39.164 368 HB2 ARG 551 HB2 ARG 551 -21.044 6.972 -39.909 369 HB3 ARG 551 HB3 ARG 551 -19.711 8.045 -40.332 370 HG2 ARG 551 HG2 ARG 551 -19.965 5.144 -41.266 371 HG3 ARG 551 HG3 ARG 551 -20.438 6.563 -42.195 372 HD2 ARG 551 HD2 ARG 551 -18.103 7.385 -42.196 373 HD3 ARG 551 HD3 ARG 551 -17.611 6.020 -41.197 374 HE ARG 551 HE ARG 551 -17.498 4.684 -43.030 375 HH11 ARG 551 HH11 ARG 551 -19.501 7.437 -44.041 376 HH12 ARG 551 HH12 ARG 551 -19.449 6.947 -45.707 377 HH21 ARG 551 HH21 ARG 551 -17.414 4.181 -45.112 378 HH22 ARG 551 HH22 ARG 551 -18.293 5.092 -46.324 379 H HIS 552 H HIS 552 -20.623 6.022 -36.830 380 HA HIS 552 HA HIS 552 -20.655 8.794 -35.843 381 HB2 HIS 552 HB2 HIS 552 -22.262 7.932 -34.199 382 HB3 HIS 552 HB3 HIS 552 -22.702 7.424 -35.823 383 HD2 HIS 552 HD2 HIS 552 -21.794 6.051 -32.415 384 HE1 HIS 552 HE1 HIS 552 -21.797 2.645 -34.954 385 HE2 HIS 552 HE2 HIS 552 -21.701 3.443 -32.520 386 H HIS 553 H HIS 553 -18.455 6.281 -35.517 387 HA HIS 553 HA HIS 553 -17.961 6.346 -32.655 388 HB2 HIS 553 HB2 HIS 553 -16.302 5.372 -35.001 389 HB3 HIS 553 HB3 HIS 553 -15.828 5.165 -33.324 390 HD2 HIS 553 HD2 HIS 553 -19.501 4.489 -34.277 391 HE1 HIS 553 HE1 HIS 553 -17.644 0.711 -33.705 392 HE2 HIS 553 HE2 HIS 553 -19.876 1.894 -34.077 393 H SER 554 H SER 554 -16.340 7.385 -31.481 394 HA SER 554 HA SER 554 -14.459 9.192 -32.866 395 HB2 SER 554 HB2 SER 554 -16.547 10.531 -32.490 396 HB3 SER 554 HB3 SER 554 -16.388 10.237 -30.753 397 HG SER 554 HG SER 554 -15.492 12.273 -31.490 398 HA PRO 555 HA PRO 555 -11.816 7.783 -29.532 399 HB2 PRO 555 HB2 PRO 555 -10.490 10.467 -29.798 400 HB3 PRO 555 HB3 PRO 555 -9.761 8.841 -29.897 401 HG2 PRO 555 HG2 PRO 555 -10.126 10.349 -32.125 402 HG3 PRO 555 HG3 PRO 555 -10.444 8.585 -32.155 403 HD2 PRO 555 HD2 PRO 555 -12.430 10.852 -31.853 404 HD3 PRO 555 HD3 PRO 555 -12.496 9.399 -32.902 405 H LEU 556 H LEU 556 -11.191 8.330 -27.298 406 HA LEU 556 HA LEU 556 -13.279 9.688 -25.856 407 HB2 LEU 556 HB2 LEU 556 -12.077 9.094 -23.893 408 HB3 LEU 556 HB3 LEU 556 -11.871 7.784 -25.026 409 HG LEU 556 HG LEU 556 -9.577 9.132 -25.591 410 HD11 LEU 556 HD11 LEU 556 -8.587 9.962 -23.442 411 HD12 LEU 556 HD12 LEU 556 -10.178 9.793 -22.662 412 HD13 LEU 556 HD13 LEU 556 -9.941 10.972 -23.950 413 HD21 LEU 556 HD21 LEU 556 -9.930 7.300 -23.185 414 HD22 LEU 556 HD22 LEU 556 -8.427 7.591 -24.090 415 HD23 LEU 556 HD23 LEU 556 -9.792 6.786 -24.879 416 H MET 557 H MET 557 -13.044 11.528 -24.411 417 HA MET 557 HA MET 557 -10.873 13.453 -25.028 418 HB2 MET 557 HB2 MET 557 -13.836 14.117 -25.400 419 HB3 MET 557 HB3 MET 557 -12.509 15.281 -25.462 420 HG2 MET 557 HG2 MET 557 -11.547 14.037 -27.407 421 HG3 MET 557 HG3 MET 557 -12.949 12.969 -27.382 422 HE1 MET 557 HE1 MET 557 -13.447 13.320 -29.841 423 HE2 MET 557 HE2 MET 557 -13.592 14.903 -30.633 424 HE3 MET 557 HE3 MET 557 -12.026 14.377 -29.979 425 H ARG 558 H ARG 558 -10.675 15.142 -23.455 426 HA ARG 558 HA ARG 558 -11.466 14.365 -20.768 427 HB2 ARG 558 HB2 ARG 558 -10.241 16.964 -21.797 428 HB3 ARG 558 HB3 ARG 558 -10.349 16.483 -20.107 429 HG2 ARG 558 HG2 ARG 558 -8.767 15.005 -22.263 430 HG3 ARG 558 HG3 ARG 558 -8.086 16.144 -21.116 431 HD2 ARG 558 HD2 ARG 558 -9.492 13.575 -20.255 432 HD3 ARG 558 HD3 ARG 558 -7.765 13.699 -20.601 433 HE ARG 558 HE ARG 558 -8.744 15.678 -18.677 434 HH11 ARG 558 HH11 ARG 558 -7.448 12.404 -18.945 435 HH12 ARG 558 HH12 ARG 558 -6.613 12.511 -17.413 436 HH21 ARG 558 HH21 ARG 558 -7.756 15.707 -16.661 437 HH22 ARG 558 HH22 ARG 558 -6.867 14.323 -16.106 438 H ASN 559 H ASN 559 -13.158 15.034 -19.554 439 HA ASN 559 HA ASN 559 -15.294 16.540 -20.868 440 HB2 ASN 559 HB2 ASN 559 -15.680 14.540 -19.390 441 HB3 ASN 559 HB3 ASN 559 -15.109 15.476 -18.014 442 HD21 ASN 559 HD21 ASN 559 -17.298 14.918 -17.127 443 HD22 ASN 559 HD22 ASN 559 -18.652 15.931 -17.595 444 H GLN 560 H GLN 560 -15.767 18.663 -20.655 445 HA GLN 560 HA GLN 560 -15.645 20.883 -20.011 446 HB2 GLN 560 HB2 GLN 560 -14.754 19.901 -17.242 447 HB3 GLN 560 HB3 GLN 560 -15.500 21.428 -17.654 448 HG2 GLN 560 HG2 GLN 560 -16.857 18.721 -17.689 449 HG3 GLN 560 HG3 GLN 560 -17.116 20.033 -16.560 450 HE21 GLN 560 HE21 GLN 560 -18.303 18.629 -19.448 451 HE22 GLN 560 HE22 GLN 560 -19.292 19.999 -19.953 452 H LYS 561 H LYS 561 -13.924 22.335 -18.354 453 HA LYS 561 HA LYS 561 -11.176 21.696 -19.370 454 HB2 LYS 561 HB2 LYS 561 -12.566 24.412 -19.379 455 HB3 LYS 561 HB3 LYS 561 -10.862 24.170 -19.741 456 HG2 LYS 561 HG2 LYS 561 -13.163 23.011 -21.377 457 HG3 LYS 561 HG3 LYS 561 -12.280 24.492 -21.741 458 HD2 LYS 561 HD2 LYS 561 -10.163 23.195 -21.979 459 HD3 LYS 561 HD3 LYS 561 -11.040 21.709 -21.607 460 HE2 LYS 561 HE2 LYS 561 -10.808 21.778 -23.969 461 HE3 LYS 561 HE3 LYS 561 -12.507 22.079 -23.596 462 HZ1 LYS 561 HZ1 LYS 561 -11.657 23.603 -25.287 463 HZ2 LYS 561 HZ2 LYS 561 -10.506 24.172 -24.278 464 HZ3 LYS 561 HZ3 LYS 561 -12.088 24.455 -23.965 465 H ASN 562 H ASN 562 -9.432 22.695 -18.125 466 HA ASN 562 HA ASN 562 -9.858 22.507 -15.278 467 HB2 ASN 562 HB2 ASN 562 -7.498 23.582 -16.898 468 HB3 ASN 562 HB3 ASN 562 -7.476 23.296 -15.158 469 HD21 ASN 562 HD21 ASN 562 -7.680 21.045 -14.365 470 HD22 ASN 562 HD22 ASN 562 -7.237 19.733 -15.441 471 H ARG 563 H ARG 563 -10.195 24.049 -13.736 472 HA ARG 563 HA ARG 563 -11.014 26.725 -14.592 473 HB2 ARG 563 HB2 ARG 563 -11.966 25.198 -12.669 474 HB3 ARG 563 HB3 ARG 563 -10.633 25.854 -11.718 475 HG2 ARG 563 HG2 ARG 563 -11.553 28.196 -12.388 476 HG3 ARG 563 HG3 ARG 563 -12.954 27.337 -13.024 477 HD2 ARG 563 HD2 ARG 563 -12.003 27.531 -10.144 478 HD3 ARG 563 HD3 ARG 563 -13.487 28.151 -10.834 479 HE ARG 563 HE ARG 563 -14.423 25.977 -10.891 480 HH11 ARG 563 HH11 ARG 563 -11.177 25.870 -9.440 481 HH12 ARG 563 HH12 ARG 563 -11.487 24.323 -8.696 482 HH21 ARG 563 HH21 ARG 563 -14.722 23.995 -9.901 483 HH22 ARG 563 HH22 ARG 563 -13.455 23.285 -8.952 484 H ASP 564 H ASP 564 -10.060 28.709 -13.997 485 HA ASP 564 HA ASP 564 -7.160 28.723 -13.843 486 HB2 ASP 564 HB2 ASP 564 -9.229 30.951 -13.570 487 HB3 ASP 564 HB3 ASP 564 -7.488 31.209 -13.641 488 H SER 565 H SER 565 -9.813 29.118 -11.501 489 HA SER 565 HA SER 565 -7.845 29.699 -9.328 490 HB2 SER 565 HB2 SER 565 -9.903 30.307 -8.009 491 HB3 SER 565 HB3 SER 565 -9.628 31.311 -9.437 492 HG SER 565 HG SER 565 -11.828 30.675 -9.253 493 H SER 566 H SER 566 -8.043 28.565 -7.277 494 HA SER 566 HA SER 566 -9.694 26.183 -7.025 495 HB2 SER 566 HB2 SER 566 -7.864 24.531 -6.972 496 HB3 SER 566 HB3 SER 566 -8.017 25.250 -8.574 497 HG SER 566 HG SER 566 -6.223 26.586 -8.101
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