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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
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7662 |
1kul ![]() ![]() |
4011 | cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H CYS 509 1H CYS 509 -2.979 -22.663 -8.831 2 2H CYS 509 3H CYS 509 -2.712 -21.698 -7.462 3 3H CYS 509 2H CYS 509 -4.299 -22.078 -7.935 4 HA CYS 509 HA CYS 509 -4.297 -20.627 -9.695 5 1HB CYS 509 2HB CYS 509 -2.275 -19.185 -7.997 6 2HB CYS 509 1HB CYS 509 -3.728 -18.551 -8.772 7 H THR 510 H THR 510 -2.772 -18.968 -10.959 8 HA THR 510 HA THR 510 -0.749 -20.631 -12.268 9 HB THR 510 HB THR 510 -1.253 -17.694 -12.778 10 HG1 THR 510 HG1 THR 510 -3.117 -18.191 -13.572 11 1HG2 THR 510 3HG2 THR 510 0.309 -19.803 -13.993 12 2HG2 THR 510 2HG2 THR 510 -0.877 -19.178 -15.138 13 3HG2 THR 510 1HG2 THR 510 0.277 -18.083 -14.378 14 H THR 511 H THR 511 1.517 -20.023 -12.438 15 HA THR 511 HA THR 511 3.538 -19.519 -11.340 16 HB THR 511 HB THR 511 2.444 -17.325 -12.414 17 HG1 THR 511 HG1 THR 511 4.586 -17.440 -12.380 18 1HG2 THR 511 3HG2 THR 511 2.381 -16.803 -9.447 19 2HG2 THR 511 2HG2 THR 511 2.539 -15.499 -10.619 20 3HG2 THR 511 1HG2 THR 511 1.113 -16.531 -10.640 21 HA PRO 512 HA PRO 512 3.112 -19.747 -7.011 22 1HB PRO 512 2HB PRO 512 4.252 -17.558 -5.756 23 2HB PRO 512 1HB PRO 512 5.184 -18.924 -6.398 24 1HG PRO 512 2HG PRO 512 4.828 -16.189 -7.539 25 2HG PRO 512 1HG PRO 512 6.190 -17.310 -7.713 26 1HD PRO 512 2HD PRO 512 4.243 -16.854 -9.643 27 2HD PRO 512 1HD PRO 512 5.289 -18.284 -9.604 28 H THR 513 H THR 513 1.234 -19.550 -6.043 29 HA THR 513 HA THR 513 -0.938 -18.230 -6.785 30 HB THR 513 HB THR 513 -1.868 -18.552 -4.594 31 HG1 THR 513 HG1 THR 513 -0.673 -18.000 -2.970 32 1HG2 THR 513 2HG2 THR 513 -0.370 -20.450 -6.038 33 2HG2 THR 513 1HG2 THR 513 0.032 -20.729 -4.340 34 3HG2 THR 513 3HG2 THR 513 -1.652 -20.782 -4.864 35 H ALA 514 H ALA 514 -0.248 -16.373 -7.641 36 HA ALA 514 HA ALA 514 0.716 -14.090 -6.137 37 1HB ALA 514 1HB ALA 514 0.489 -14.826 -8.840 38 2HB ALA 514 3HB ALA 514 -0.529 -13.396 -8.638 39 3HB ALA 514 2HB ALA 514 1.176 -13.332 -8.193 40 H VAL 515 H VAL 515 -0.484 -12.680 -4.996 41 HA VAL 515 HA VAL 515 -3.368 -12.549 -5.629 42 HB VAL 515 HB VAL 515 -2.081 -12.624 -2.956 43 1HG1 VAL 515 3HG1 VAL 515 -4.462 -11.135 -3.843 44 2HG1 VAL 515 2HG1 VAL 515 -4.774 -12.254 -2.508 45 3HG1 VAL 515 1HG1 VAL 515 -3.540 -11.004 -2.339 46 1HG2 VAL 515 1HG2 VAL 515 -3.752 -14.335 -4.640 47 2HG2 VAL 515 3HG2 VAL 515 -2.817 -14.763 -3.209 48 3HG2 VAL 515 2HG2 VAL 515 -4.440 -14.100 -3.034 49 H ALA 516 H ALA 516 -3.823 -10.557 -6.479 50 HA ALA 516 HA ALA 516 -2.049 -8.296 -5.926 51 1HB ALA 516 3HB ALA 516 -4.671 -8.443 -7.432 52 2HB ALA 516 2HB ALA 516 -3.638 -7.016 -7.334 53 3HB ALA 516 1HB ALA 516 -3.056 -8.472 -8.143 54 H VAL 517 H VAL 517 -2.219 -7.222 -4.082 55 HA VAL 517 HA VAL 517 -4.881 -7.153 -2.713 56 HB VAL 517 HB VAL 517 -2.242 -6.321 -1.502 57 1HG1 VAL 517 1HG1 VAL 517 -5.003 -6.467 -0.637 58 2HG1 VAL 517 3HG1 VAL 517 -3.993 -7.512 0.365 59 3HG1 VAL 517 2HG1 VAL 517 -3.608 -5.794 0.204 60 1HG2 VAL 517 1HG2 VAL 517 -2.851 -8.887 -2.437 61 2HG2 VAL 517 3HG2 VAL 517 -1.614 -8.473 -1.254 62 3HG2 VAL 517 2HG2 VAL 517 -3.222 -8.946 -0.713 63 H THR 518 H THR 518 -6.047 -5.335 -2.891 64 HA THR 518 HA THR 518 -4.850 -2.892 -3.934 65 HB THR 518 HB THR 518 -7.350 -2.159 -3.094 66 HG1 THR 518 HG1 THR 518 -8.432 -3.885 -2.677 67 1HG2 THR 518 2HG2 THR 518 -6.253 -2.026 -5.374 68 2HG2 THR 518 1HG2 THR 518 -6.801 -3.681 -5.648 69 3HG2 THR 518 3HG2 THR 518 -7.979 -2.392 -5.395 70 H PHE 519 H PHE 519 -4.512 -0.947 -2.809 71 HA PHE 519 HA PHE 519 -4.697 -1.169 0.150 72 1HB PHE 519 2HB PHE 519 -2.758 0.541 -1.418 73 2HB PHE 519 1HB PHE 519 -2.692 0.103 0.283 74 HD1 PHE 519 HD2 PHE 519 -2.431 -2.364 0.897 75 HD2 PHE 519 HD1 PHE 519 -1.772 -0.831 -3.050 76 HE1 PHE 519 HE2 PHE 519 -1.150 -4.418 0.324 77 HE2 PHE 519 HE1 PHE 519 -0.486 -2.870 -3.626 78 HZ PHE 519 HZ PHE 519 -0.176 -4.667 -1.941 79 H ASP 520 H ASP 520 -6.538 -0.039 0.582 80 HA ASP 520 HA ASP 520 -6.944 2.492 -0.904 81 1HB ASP 520 2HB ASP 520 -9.253 2.211 0.450 82 2HB ASP 520 1HB ASP 520 -8.990 1.491 -1.137 83 H LEU 521 H LEU 521 -6.284 4.278 0.092 84 HA LEU 521 HA LEU 521 -5.816 4.376 2.960 85 1HB LEU 521 2HB LEU 521 -5.518 6.327 0.843 86 2HB LEU 521 1HB LEU 521 -6.246 7.041 2.238 87 HG LEU 521 HG LEU 521 -4.361 7.015 3.408 88 1HD1 LEU 521 2HD1 LEU 521 -4.126 4.257 2.607 89 2HD1 LEU 521 1HD1 LEU 521 -2.569 5.086 2.699 90 3HD1 LEU 521 3HD1 LEU 521 -3.643 5.098 4.097 91 1HD2 LEU 521 3HD2 LEU 521 -3.514 6.778 0.560 92 2HD2 LEU 521 2HD2 LEU 521 -3.430 8.161 1.653 93 3HD2 LEU 521 1HD2 LEU 521 -2.272 6.837 1.811 94 H THR 522 H THR 522 -6.594 6.371 4.003 95 HA THR 522 HA THR 522 -9.390 7.056 3.670 96 HB THR 522 HB THR 522 -9.342 6.755 6.400 97 HG1 THR 522 HG1 THR 522 -8.732 4.586 6.704 98 1HG2 THR 522 2HG2 THR 522 -11.000 6.303 4.419 99 2HG2 THR 522 1HG2 THR 522 -10.460 4.627 4.620 100 3HG2 THR 522 3HG2 THR 522 -11.221 5.475 5.971 101 H ALA 523 H ALA 523 -8.283 8.882 2.999 102 HA ALA 523 HA ALA 523 -7.550 10.726 5.156 103 1HB ALA 523 2HB ALA 523 -5.601 9.412 3.305 104 2HB ALA 523 1HB ALA 523 -5.344 11.111 3.724 105 3HB ALA 523 3HB ALA 523 -5.403 9.886 4.996 106 H THR 524 H THR 524 -8.567 12.578 4.499 107 HA THR 524 HA THR 524 -9.095 13.011 1.626 108 HB THR 524 HB THR 524 -10.837 13.479 3.366 109 HG1 THR 524 HG1 THR 524 -11.520 15.142 2.232 110 1HG2 THR 524 3HG2 THR 524 -8.571 14.742 4.524 111 2HG2 THR 524 2HG2 THR 524 -9.807 15.980 4.261 112 3HG2 THR 524 1HG2 THR 524 -10.183 14.549 5.225 113 H THR 525 H THR 525 -6.410 13.052 2.269 114 HA THR 525 HA THR 525 -5.506 15.837 2.587 115 HB THR 525 HB THR 525 -4.131 13.165 2.293 116 HG1 THR 525 HG1 THR 525 -3.966 13.404 4.358 117 1HG2 THR 525 1HG2 THR 525 -3.023 15.918 1.885 118 2HG2 THR 525 3HG2 THR 525 -2.030 14.730 2.728 119 3HG2 THR 525 2HG2 THR 525 -2.588 14.407 1.087 120 H THR 526 H THR 526 -4.980 17.153 0.877 121 HA THR 526 HA THR 526 -4.507 15.927 -1.797 122 HB THR 526 HB THR 526 -6.939 16.543 -1.576 123 HG1 THR 526 HG1 THR 526 -5.925 16.625 -3.604 124 1HG2 THR 526 2HG2 THR 526 -5.728 18.854 -0.415 125 2HG2 THR 526 1HG2 THR 526 -6.646 19.366 -1.836 126 3HG2 THR 526 3HG2 THR 526 -7.448 18.471 -0.544 127 H TYR 527 H TYR 527 -2.780 17.296 0.168 128 HA TYR 527 HA TYR 527 -2.310 19.978 -0.897 129 1HB TYR 527 2HB TYR 527 -1.847 18.962 1.525 130 2HB TYR 527 1HB TYR 527 -0.283 18.609 0.791 131 HD1 TYR 527 HD1 TYR 527 -0.089 20.905 -1.122 132 HD2 TYR 527 HD2 TYR 527 -1.308 20.756 2.992 133 HE1 TYR 527 HE1 TYR 527 0.586 23.275 -0.837 134 HE2 TYR 527 HE2 TYR 527 -0.633 23.126 3.279 135 HH TYR 527 HH TYR 527 0.221 25.132 0.575 136 H GLY 528 H GLY 528 -2.100 18.164 -2.970 137 1HA GLY 528 2HA GLY 528 -0.684 17.708 -4.783 138 2HA GLY 528 1HA GLY 528 0.468 18.821 -4.046 139 H GLU 529 H GLU 529 -0.349 16.443 -1.811 140 HA GLU 529 HA GLU 529 2.265 15.131 -2.256 141 1HB GLU 529 2HB GLU 529 0.437 14.260 -0.061 142 2HB GLU 529 1HB GLU 529 2.186 14.489 -0.043 143 1HG GLU 529 2HG GLU 529 1.300 17.043 -0.517 144 2HG GLU 529 1HG GLU 529 0.035 16.417 0.539 145 H ASN 530 H ASN 530 2.177 12.605 -1.788 146 HA ASN 530 HA ASN 530 -0.260 11.358 -2.987 147 1HB ASN 530 2HB ASN 530 1.856 11.902 -4.634 148 2HB ASN 530 1HB ASN 530 2.345 10.353 -3.985 149 1HD2 ASN 530 2HD2 ASN 530 -0.096 8.502 -5.728 150 2HD2 ASN 530 1HD2 ASN 530 1.125 8.468 -4.552 151 H ILE 531 H ILE 531 -0.499 9.245 -2.209 152 HA ILE 531 HA ILE 531 1.460 8.549 -0.108 153 HB ILE 531 HB ILE 531 -1.309 7.503 -0.706 154 1HG1 ILE 531 2HG1 ILE 531 -1.413 8.447 1.777 155 2HG1 ILE 531 1HG1 ILE 531 -0.037 9.393 1.214 156 1HG2 ILE 531 3HG2 ILE 531 0.898 6.254 0.651 157 2HG2 ILE 531 2HG2 ILE 531 -0.351 6.660 1.832 158 3HG2 ILE 531 1HG2 ILE 531 -0.748 5.648 0.442 159 1HD1 ILE 531 3HD1 ILE 531 -1.725 9.648 -0.885 160 2HD1 ILE 531 2HD1 ILE 531 -2.863 9.581 0.458 161 3HD1 ILE 531 1HD1 ILE 531 -1.600 10.810 0.432 162 H TYR 532 H TYR 532 3.106 7.339 -0.793 163 HA TYR 532 HA TYR 532 2.633 5.394 -2.946 164 1HB TYR 532 2HB TYR 532 5.125 6.202 -1.486 165 2HB TYR 532 1HB TYR 532 5.084 4.842 -2.576 166 HD1 TYR 532 HD2 TYR 532 3.568 8.255 -2.657 167 HD2 TYR 532 HD1 TYR 532 6.046 5.356 -4.629 168 HE1 TYR 532 HE2 TYR 532 3.920 9.827 -4.560 169 HE2 TYR 532 HE1 TYR 532 6.385 6.918 -6.522 170 HH TYR 532 HH TYR 532 5.589 8.824 -7.490 171 H LEU 533 H LEU 533 4.097 3.237 -2.294 172 HA LEU 533 HA LEU 533 3.463 2.385 0.453 173 1HB LEU 533 2HB LEU 533 1.364 1.782 -0.376 174 2HB LEU 533 1HB LEU 533 1.993 1.410 -1.977 175 HG LEU 533 HG LEU 533 3.186 -0.578 -0.931 176 1HD1 LEU 533 3HD1 LEU 533 1.646 0.468 1.418 177 2HD1 LEU 533 2HD1 LEU 533 1.846 -1.278 1.241 178 3HD1 LEU 533 1HD1 LEU 533 3.263 -0.234 1.365 179 1HD2 LEU 533 3HD2 LEU 533 0.635 -0.305 -1.918 180 2HD2 LEU 533 2HD2 LEU 533 1.404 -1.847 -1.537 181 3HD2 LEU 533 1HD2 LEU 533 0.340 -1.077 -0.358 182 H VAL 534 H VAL 534 4.981 0.987 1.141 183 HA VAL 534 HA VAL 534 6.482 -0.556 -0.920 184 HB VAL 534 HB VAL 534 8.003 1.155 -0.299 185 1HG1 VAL 534 3HG1 VAL 534 6.558 1.327 2.021 186 2HG1 VAL 534 2HG1 VAL 534 8.133 0.732 2.532 187 3HG1 VAL 534 1HG1 VAL 534 8.017 2.235 1.626 188 1HG2 VAL 534 1HG2 VAL 534 8.630 -1.230 1.393 189 2HG2 VAL 534 3HG2 VAL 534 9.096 -0.967 -0.285 190 3HG2 VAL 534 2HG2 VAL 534 9.752 0.065 0.970 191 H GLY 535 H GLY 535 7.668 -2.507 0.431 192 1HA GLY 535 2HA GLY 535 5.663 -3.319 2.516 193 2HA GLY 535 1HA GLY 535 5.943 -4.363 1.138 194 H SER 536 H SER 536 6.235 -5.708 3.233 195 HA SER 536 HA SER 536 8.919 -5.532 4.385 196 1HB SER 536 2HB SER 536 7.515 -6.149 6.092 197 2HB SER 536 1HB SER 536 6.409 -6.986 5.007 198 HG SER 536 HG SER 536 8.993 -7.862 5.808 199 H ILE 537 H ILE 537 8.103 -6.509 1.506 200 HA ILE 537 HA ILE 537 10.070 -8.721 1.558 201 HB ILE 537 HB ILE 537 8.680 -10.219 0.286 202 1HG1 ILE 537 2HG1 ILE 537 6.457 -8.174 0.388 203 2HG1 ILE 537 1HG1 ILE 537 7.574 -8.280 -0.971 204 1HG2 ILE 537 1HG2 ILE 537 8.258 -9.721 2.874 205 2HG2 ILE 537 3HG2 ILE 537 6.675 -9.228 2.270 206 3HG2 ILE 537 2HG2 ILE 537 7.257 -10.870 1.985 207 1HD1 ILE 537 3HD1 ILE 537 6.805 -10.925 -0.528 208 2HD1 ILE 537 2HD1 ILE 537 5.317 -10.006 -0.299 209 3HD1 ILE 537 1HD1 ILE 537 6.208 -9.878 -1.815 210 H SER 538 H SER 538 11.121 -8.994 -0.499 211 HA SER 538 HA SER 538 11.832 -6.718 -1.857 212 1HB SER 538 2HB SER 538 11.535 -9.473 -3.050 213 2HB SER 538 1HB SER 538 12.389 -8.134 -3.811 214 HG SER 538 HG SER 538 13.440 -8.129 -1.532 215 H GLN 539 H GLN 539 8.827 -8.512 -2.373 216 HA GLN 539 HA GLN 539 8.091 -7.665 -4.907 217 1HB GLN 539 2HB GLN 539 6.570 -8.182 -2.436 218 2HB GLN 539 1HB GLN 539 5.723 -7.386 -3.742 219 1HG GLN 539 2HG GLN 539 7.254 -9.989 -3.983 220 2HG GLN 539 1HG GLN 539 5.498 -9.851 -3.879 221 1HE2 GLN 539 2HE2 GLN 539 7.295 -9.340 -7.441 222 2HE2 GLN 539 1HE2 GLN 539 8.123 -9.903 -6.070 223 H LEU 540 H LEU 540 7.576 -5.804 -1.905 224 HA LEU 540 HA LEU 540 6.903 -3.439 -3.508 225 1HB LEU 540 2HB LEU 540 6.823 -4.033 -0.525 226 2HB LEU 540 1HB LEU 540 6.752 -2.369 -1.164 227 HG LEU 540 HG LEU 540 4.862 -3.038 -2.652 228 1HD1 LEU 540 1HD1 LEU 540 5.348 -5.677 -1.306 229 2HD1 LEU 540 3HD1 LEU 540 3.766 -5.275 -1.974 230 3HD1 LEU 540 2HD1 LEU 540 5.178 -5.325 -3.023 231 1HD2 LEU 540 3HD2 LEU 540 4.403 -3.668 0.278 232 2HD2 LEU 540 2HD2 LEU 540 4.375 -2.059 -0.443 233 3HD2 LEU 540 1HD2 LEU 540 3.153 -3.249 -0.891 234 H GLY 541 H GLY 541 9.563 -4.534 -3.651 235 1HA GLY 541 2HA GLY 541 11.694 -3.572 -3.936 236 2HA GLY 541 1HA GLY 541 11.052 -2.067 -3.286 237 H ASP 542 H ASP 542 10.590 -4.941 -1.433 238 HA ASP 542 HA ASP 542 11.596 -5.742 0.518 239 1HB ASP 542 2HB ASP 542 13.828 -4.131 -0.596 240 2HB ASP 542 1HB ASP 542 13.905 -4.558 1.108 241 H TRP 543 H TRP 543 12.371 -2.335 0.391 242 HA TRP 543 HA TRP 543 10.423 -1.463 2.174 243 1HB TRP 543 2HB TRP 543 12.992 -2.307 3.462 244 2HB TRP 543 1HB TRP 543 12.220 -0.825 4.048 245 HD1 TRP 543 HD1 TRP 543 12.297 -4.073 5.219 246 HE1 TRP 543 HE1 TRP 543 10.024 -4.980 6.039 247 HE3 TRP 543 HE3 TRP 543 9.165 -0.623 3.157 248 HZ2 TRP 543 HZ2 TRP 543 7.235 -4.334 5.765 249 HZ3 TRP 543 HZ3 TRP 543 6.716 -0.798 3.443 250 HH2 TRP 543 HH2 TRP 543 5.763 -2.659 4.772 251 H GLU 544 H GLU 544 11.333 -0.643 -0.228 252 HA GLU 544 HA GLU 544 12.764 1.893 0.482 253 1HB GLU 544 2HB GLU 544 12.892 0.130 -1.935 254 2HB GLU 544 1HB GLU 544 13.099 1.871 -2.143 255 1HG GLU 544 2HG GLU 544 15.127 1.881 -1.108 256 2HG GLU 544 1HG GLU 544 14.622 0.702 0.102 257 H THR 545 H THR 545 11.593 3.714 0.155 258 HA THR 545 HA THR 545 8.847 3.353 -0.757 259 HB THR 545 HB THR 545 8.919 4.943 0.965 260 HG1 THR 545 HG1 THR 545 9.308 6.658 -1.243 261 1HG2 THR 545 2HG2 THR 545 11.529 5.697 -0.284 262 2HG2 THR 545 1HG2 THR 545 10.680 6.907 0.678 263 3HG2 THR 545 3HG2 THR 545 11.146 5.372 1.406 264 H SER 546 H SER 546 11.886 4.503 -2.041 265 HA SER 546 HA SER 546 10.724 5.816 -4.342 266 1HB SER 546 2HB SER 546 13.273 5.417 -5.031 267 2HB SER 546 1HB SER 546 12.814 6.711 -3.941 268 HG SER 546 HG SER 546 14.334 4.536 -3.497 269 H ASP 547 H ASP 547 11.340 2.673 -3.364 270 HA ASP 547 HA ASP 547 11.223 1.664 -6.154 271 1HB ASP 547 2HB ASP 547 12.064 0.184 -3.650 272 2HB ASP 547 1HB ASP 547 12.098 -0.456 -5.289 273 H GLY 548 H GLY 548 9.532 2.109 -3.299 274 1HA GLY 548 2HA GLY 548 7.730 -0.121 -3.334 275 2HA GLY 548 1HA GLY 548 7.387 1.451 -2.589 276 H ILE 549 H ILE 549 5.428 2.113 -3.511 277 HA ILE 549 HA ILE 549 5.470 2.659 -6.382 278 HB ILE 549 HB ILE 549 3.539 0.622 -5.236 279 1HG1 ILE 549 2HG1 ILE 549 5.629 0.525 -7.433 280 2HG1 ILE 549 1HG1 ILE 549 5.663 -0.353 -5.903 281 1HG2 ILE 549 2HG2 ILE 549 3.119 2.566 -7.286 282 2HG2 ILE 549 1HG2 ILE 549 3.256 0.987 -8.058 283 3HG2 ILE 549 3HG2 ILE 549 2.050 1.251 -6.798 284 1HD1 ILE 549 1HD1 ILE 549 3.440 -1.402 -6.635 285 2HD1 ILE 549 3HD1 ILE 549 3.789 -0.757 -8.239 286 3HD1 ILE 549 2HD1 ILE 549 4.881 -1.932 -7.504 287 H ALA 550 H ALA 550 4.450 4.546 -6.694 288 HA ALA 550 HA ALA 550 3.055 5.905 -4.617 289 1HB ALA 550 3HB ALA 550 4.033 6.631 -7.073 290 2HB ALA 550 2HB ALA 550 2.287 6.692 -7.323 291 3HB ALA 550 1HB ALA 550 3.026 7.646 -6.038 292 H LEU 551 H LEU 551 0.811 6.241 -4.315 293 HA LEU 551 HA LEU 551 -0.793 4.082 -5.540 294 1HB LEU 551 2HB LEU 551 -1.100 5.670 -3.012 295 2HB LEU 551 1HB LEU 551 -2.459 4.806 -3.680 296 HG LEU 551 HG LEU 551 -0.761 2.791 -3.755 297 1HD1 LEU 551 1HD1 LEU 551 1.075 4.362 -2.974 298 2HD1 LEU 551 3HD1 LEU 551 0.265 4.388 -1.411 299 3HD1 LEU 551 2HD1 LEU 551 0.898 2.875 -2.050 300 1HD2 LEU 551 2HD2 LEU 551 -2.136 3.871 -1.275 301 2HD2 LEU 551 1HD2 LEU 551 -2.828 2.769 -2.468 302 3HD2 LEU 551 3HD2 LEU 551 -1.517 2.224 -1.418 303 H SER 552 H SER 552 -3.337 5.032 -5.227 304 HA SER 552 HA SER 552 -3.406 7.640 -6.625 305 1HB SER 552 2HB SER 552 -3.432 5.826 -8.267 306 2HB SER 552 1HB SER 552 -4.928 5.256 -7.573 307 HG SER 552 HG SER 552 -5.496 6.601 -9.221 308 H ALA 553 H ALA 553 -6.058 7.929 -7.033 309 HA ALA 553 HA ALA 553 -7.401 7.289 -4.471 310 1HB ALA 553 3HB ALA 553 -6.146 9.715 -4.961 311 2HB ALA 553 2HB ALA 553 -7.825 10.031 -5.412 312 3HB ALA 553 1HB ALA 553 -7.441 9.457 -3.794 313 H ASP 554 H ASP 554 -8.087 5.944 -6.645 314 HA ASP 554 HA ASP 554 -9.776 7.163 -8.535 315 1HB ASP 554 2HB ASP 554 -10.157 5.028 -9.251 316 2HB ASP 554 1HB ASP 554 -8.743 4.733 -8.274 317 H LYS 555 H LYS 555 -10.610 5.729 -5.363 318 HA LYS 555 HA LYS 555 -13.342 6.884 -5.728 319 1HB LYS 555 2HB LYS 555 -12.382 4.361 -4.641 320 2HB LYS 555 1HB LYS 555 -13.433 5.210 -3.505 321 1HG LYS 555 2HG LYS 555 -15.245 5.229 -5.000 322 2HG LYS 555 1HG LYS 555 -14.211 4.947 -6.401 323 1HD LYS 555 2HD LYS 555 -14.724 2.760 -6.209 324 2HD LYS 555 1HD LYS 555 -13.743 2.747 -4.742 325 1HE LYS 555 2HE LYS 555 -16.471 3.820 -4.387 326 2HE LYS 555 1HE LYS 555 -16.403 2.109 -4.810 327 1HZ LYS 555 1HZ LYS 555 -14.764 3.307 -2.650 328 2HZ LYS 555 3HZ LYS 555 -16.293 2.622 -2.377 329 3HZ LYS 555 2HZ LYS 555 -15.024 1.658 -2.967 330 H TYR 556 H TYR 556 -10.747 8.146 -4.687 331 HA TYR 556 HA TYR 556 -11.748 8.948 -1.989 332 1HB TYR 556 2HB TYR 556 -9.586 8.100 -1.669 333 2HB TYR 556 1HB TYR 556 -9.019 8.688 -3.210 334 HD1 TYR 556 HD2 TYR 556 -10.909 11.093 -1.152 335 HD2 TYR 556 HD1 TYR 556 -6.993 9.504 -1.985 336 HE1 TYR 556 HE2 TYR 556 -9.909 13.011 -0.036 337 HE2 TYR 556 HE1 TYR 556 -5.998 11.488 -0.894 338 HH TYR 556 HH TYR 556 -7.352 14.192 -0.500 339 H THR 557 H THR 557 -12.825 10.855 -2.103 340 HA THR 557 HA THR 557 -11.595 13.038 -3.667 341 HB THR 557 HB THR 557 -13.149 12.492 -5.301 342 HG1 THR 557 HG1 THR 557 -13.629 14.577 -4.076 343 1HG2 THR 557 1HG2 THR 557 -14.472 11.172 -3.045 344 2HG2 THR 557 3HG2 THR 557 -15.606 11.907 -4.179 345 3HG2 THR 557 2HG2 THR 557 -14.435 10.718 -4.748 346 H SER 558 H SER 558 -14.804 12.802 -2.101 347 HA SER 558 HA SER 558 -13.793 14.706 -0.032 348 1HB SER 558 2HB SER 558 -14.995 15.983 -1.769 349 2HB SER 558 1HB SER 558 -16.405 14.950 -1.553 350 HG SER 558 HG SER 558 -15.708 17.112 -0.179 351 H SER 559 H SER 559 -16.477 12.517 -0.942 352 HA SER 559 HA SER 559 -17.550 12.393 1.735 353 1HB SER 559 2HB SER 559 -17.855 10.630 -0.699 354 2HB SER 559 1HB SER 559 -18.656 10.265 0.827 355 HG SER 559 HG SER 559 -18.840 12.842 -0.281 356 H ASP 560 H ASP 560 -16.324 9.548 0.032 357 HA ASP 560 HA ASP 560 -14.901 8.782 2.545 358 1HB ASP 560 2HB ASP 560 -16.715 7.253 1.654 359 2HB ASP 560 1HB ASP 560 -15.693 6.978 0.242 360 HA PRO 561 HA PRO 561 -11.458 9.688 -0.235 361 1HB PRO 561 2HB PRO 561 -9.717 10.275 1.791 362 2HB PRO 561 1HB PRO 561 -10.837 11.462 1.089 363 1HG PRO 561 2HG PRO 561 -10.942 10.069 3.700 364 2HG PRO 561 1HG PRO 561 -11.678 11.610 3.209 365 1HD PRO 561 2HD PRO 561 -13.022 9.103 3.461 366 2HD PRO 561 1HD PRO 561 -13.679 10.580 2.721 367 H LEU 562 H LEU 562 -11.073 7.416 -0.796 368 HA LEU 562 HA LEU 562 -9.072 6.307 1.054 369 1HB LEU 562 2HB LEU 562 -9.768 3.967 0.188 370 2HB LEU 562 1HB LEU 562 -10.767 4.723 1.419 371 HG LEU 562 HG LEU 562 -12.147 3.704 -0.292 372 1HD1 LEU 562 1HD1 LEU 562 -12.419 6.313 0.579 373 2HD1 LEU 562 3HD1 LEU 562 -12.585 6.458 -1.172 374 3HD1 LEU 562 2HD1 LEU 562 -13.648 5.380 -0.274 375 1HD2 LEU 562 2HD2 LEU 562 -10.197 4.075 -2.001 376 2HD2 LEU 562 1HD2 LEU 562 -11.875 4.021 -2.555 377 3HD2 LEU 562 3HD2 LEU 562 -11.073 5.576 -2.363 378 H TRP 563 H TRP 563 -7.179 5.826 0.210 379 HA TRP 563 HA TRP 563 -6.696 6.584 -2.552 380 1HB TRP 563 2HB TRP 563 -4.961 5.529 -0.402 381 2HB TRP 563 1HB TRP 563 -4.402 5.476 -2.035 382 HD1 TRP 563 HD1 TRP 563 -5.884 8.304 0.340 383 HE1 TRP 563 HE1 TRP 563 -4.714 10.457 -0.417 384 HE3 TRP 563 HE3 TRP 563 -3.176 6.516 -3.539 385 HZ2 TRP 563 HZ2 TRP 563 -2.934 11.348 -2.498 386 HZ3 TRP 563 HZ3 TRP 563 -1.773 8.034 -4.904 387 HH2 TRP 563 HH2 TRP 563 -1.678 10.385 -4.423 388 H TYR 564 H TYR 564 -4.969 4.662 -3.600 389 HA TYR 564 HA TYR 564 -6.362 2.083 -3.351 390 1HB TYR 564 2HB TYR 564 -7.235 4.135 -5.074 391 2HB TYR 564 1HB TYR 564 -6.609 2.804 -6.051 392 HD1 TYR 564 HD1 TYR 564 -7.301 0.421 -5.245 393 HD2 TYR 564 HD2 TYR 564 -9.319 4.093 -4.366 394 HE1 TYR 564 HE1 TYR 564 -9.419 -0.826 -4.810 395 HE2 TYR 564 HE2 TYR 564 -11.384 2.903 -3.944 396 HH TYR 564 HH TYR 564 -11.517 -0.660 -3.943 397 H VAL 565 H VAL 565 -5.001 0.534 -3.841 398 HA VAL 565 HA VAL 565 -3.574 0.555 -6.315 399 HB VAL 565 HB VAL 565 -2.019 1.123 -3.838 400 1HG1 VAL 565 3HG1 VAL 565 -1.095 -1.031 -4.757 401 2HG1 VAL 565 2HG1 VAL 565 -0.867 -0.205 -6.298 402 3HG1 VAL 565 1HG1 VAL 565 0.023 0.328 -4.875 403 1HG2 VAL 565 1HG2 VAL 565 -2.353 2.046 -6.610 404 2HG2 VAL 565 3HG2 VAL 565 -2.209 2.967 -5.117 405 3HG2 VAL 565 2HG2 VAL 565 -0.770 2.250 -5.862 406 H THR 566 H THR 566 -3.240 -1.459 -7.036 407 HA THR 566 HA THR 566 -3.490 -3.600 -4.988 408 HB THR 566 HB THR 566 -5.096 -3.366 -7.116 409 HG1 THR 566 HG1 THR 566 -3.982 -5.618 -5.869 410 1HG2 THR 566 2HG2 THR 566 -3.201 -3.456 -8.727 411 2HG2 THR 566 1HG2 THR 566 -2.811 -5.069 -8.129 412 3HG2 THR 566 3HG2 THR 566 -4.342 -4.782 -8.959 413 H VAL 567 H VAL 567 -1.503 -4.250 -4.406 414 HA VAL 567 HA VAL 567 0.614 -4.394 -6.493 415 HB VAL 567 HB VAL 567 0.786 -4.259 -3.470 416 1HG1 VAL 567 2HG1 VAL 567 2.307 -6.062 -4.360 417 2HG1 VAL 567 1HG1 VAL 567 3.054 -4.856 -5.408 418 3HG1 VAL 567 3HG1 VAL 567 3.192 -4.704 -3.656 419 1HG2 VAL 567 2HG2 VAL 567 1.081 -2.406 -5.645 420 2HG2 VAL 567 1HG2 VAL 567 1.242 -2.094 -3.916 421 3HG2 VAL 567 3HG2 VAL 567 2.646 -2.603 -4.856 422 H THR 568 H THR 568 1.091 -6.422 -7.211 423 HA THR 568 HA THR 568 -0.306 -8.713 -6.377 424 HB THR 568 HB THR 568 1.947 -9.821 -7.328 425 HG1 THR 568 HG1 THR 568 2.446 -8.020 -9.007 426 1HG2 THR 568 2HG2 THR 568 -0.306 -9.911 -8.348 427 2HG2 THR 568 1HG2 THR 568 -0.054 -8.296 -9.014 428 3HG2 THR 568 3HG2 THR 568 0.947 -9.642 -9.562 429 H LEU 569 H LEU 569 0.450 -10.590 -5.215 430 HA LEU 569 HA LEU 569 2.791 -10.405 -3.484 431 1HB LEU 569 2HB LEU 569 -0.008 -10.188 -2.331 432 2HB LEU 569 1HB LEU 569 1.398 -10.642 -1.371 433 HG LEU 569 HG LEU 569 0.985 -8.027 -2.858 434 1HD1 LEU 569 1HD1 LEU 569 0.085 -8.758 -0.365 435 2HD1 LEU 569 3HD1 LEU 569 1.672 -8.088 0.020 436 3HD1 LEU 569 2HD1 LEU 569 0.485 -7.093 -0.823 437 1HD2 LEU 569 3HD2 LEU 569 3.349 -8.838 -2.976 438 2HD2 LEU 569 2HD2 LEU 569 3.186 -7.392 -1.996 439 3HD2 LEU 569 1HD2 LEU 569 3.362 -8.965 -1.222 440 HA PRO 570 HA PRO 570 1.367 -14.611 -4.584 441 1HB PRO 570 2HB PRO 570 3.732 -15.386 -5.750 442 2HB PRO 570 1HB PRO 570 2.431 -14.579 -6.643 443 1HG PRO 570 2HG PRO 570 5.041 -13.477 -5.731 444 2HG PRO 570 1HG PRO 570 3.995 -12.935 -7.053 445 1HD PRO 570 2HD PRO 570 4.221 -11.744 -4.477 446 2HD PRO 570 1HD PRO 570 3.017 -11.352 -5.720 447 H ALA 571 H ALA 571 2.336 -16.692 -3.953 448 HA ALA 571 HA ALA 571 3.417 -18.093 -2.407 449 1HB ALA 571 3HB ALA 571 5.212 -15.858 -2.720 450 2HB ALA 571 2HB ALA 571 5.176 -16.367 -1.031 451 3HB ALA 571 1HB ALA 571 5.587 -17.527 -2.294 452 H GLY 572 H GLY 572 1.319 -17.963 -1.358 453 1HA GLY 572 2HA GLY 572 0.039 -16.435 0.349 454 2HA GLY 572 1HA GLY 572 0.400 -18.072 0.880 455 H GLU 573 H GLU 573 0.368 -15.196 2.188 456 HA GLU 573 HA GLU 573 2.391 -15.771 4.145 457 1HB GLU 573 2HB GLU 573 3.415 -14.780 1.764 458 2HB GLU 573 1HB GLU 573 3.324 -13.359 2.803 459 1HG GLU 573 2HG GLU 573 5.362 -14.137 3.522 460 2HG GLU 573 1HG GLU 573 4.345 -15.122 4.574 461 H SER 574 H SER 574 2.348 -14.311 5.883 462 HA SER 574 HA SER 574 0.089 -12.403 5.868 463 1HB SER 574 2HB SER 574 0.139 -13.555 7.913 464 2HB SER 574 1HB SER 574 1.899 -13.568 7.974 465 HG SER 574 HG SER 574 1.870 -11.661 8.878 466 H PHE 575 H PHE 575 1.879 -11.615 4.092 467 HA PHE 575 HA PHE 575 4.139 -10.214 4.498 468 1HB PHE 575 2HB PHE 575 1.737 -9.174 2.961 469 2HB PHE 575 1HB PHE 575 3.420 -8.706 2.699 470 HD1 PHE 575 HD1 PHE 575 5.044 -10.279 1.781 471 HD2 PHE 575 HD2 PHE 575 0.897 -11.410 2.186 472 HE1 PHE 575 HE1 PHE 575 5.415 -12.212 0.281 473 HE2 PHE 575 HE2 PHE 575 1.295 -13.336 0.694 474 HZ PHE 575 HZ PHE 575 3.542 -13.739 -0.263 475 H GLU 576 H GLU 576 4.606 -7.908 4.913 476 HA GLU 576 HA GLU 576 2.646 -6.594 6.756 477 1HB GLU 576 2HB GLU 576 5.504 -6.099 7.311 478 2HB GLU 576 1HB GLU 576 4.169 -6.355 8.432 479 1HG GLU 576 2HG GLU 576 4.229 -8.792 7.881 480 2HG GLU 576 1HG GLU 576 5.647 -8.496 6.876 481 H TYR 577 H TYR 577 2.014 -4.988 5.360 482 HA TYR 577 HA TYR 577 4.159 -3.410 4.000 483 1HB TYR 577 2HB TYR 577 1.265 -3.936 3.294 484 2HB TYR 577 1HB TYR 577 2.215 -2.676 2.509 485 HD1 TYR 577 HD2 TYR 577 4.560 -5.065 3.348 486 HD2 TYR 577 HD1 TYR 577 1.309 -4.507 0.606 487 HE1 TYR 577 HE2 TYR 577 5.572 -6.719 1.837 488 HE2 TYR 577 HE1 TYR 577 2.346 -6.153 -0.925 489 HH TYR 577 HH TYR 577 4.634 -8.307 -0.019 490 H LYS 578 H LYS 578 3.974 -1.115 3.945 491 HA LYS 578 HA LYS 578 1.996 0.079 5.795 492 1HB LYS 578 2HB LYS 578 4.236 1.503 6.482 493 2HB LYS 578 1HB LYS 578 3.538 0.204 7.439 494 1HG LYS 578 2HG LYS 578 5.513 -0.861 7.251 495 2HG LYS 578 1HG LYS 578 5.157 -1.102 5.548 496 1HD LYS 578 2HD LYS 578 6.505 1.361 6.668 497 2HD LYS 578 1HD LYS 578 7.355 0.010 5.924 498 1HE LYS 578 2HE LYS 578 7.073 1.101 3.981 499 2HE LYS 578 1HE LYS 578 5.384 0.616 4.075 500 1HZ LYS 578 3HZ LYS 578 5.332 2.744 5.630 501 2HZ LYS 578 2HZ LYS 578 6.619 3.198 4.617 502 3HZ LYS 578 1HZ LYS 578 5.098 2.836 3.953 503 H PHE 579 H PHE 579 2.010 2.480 5.654 504 HA PHE 579 HA PHE 579 2.295 3.265 2.833 505 1HB PHE 579 2HB PHE 579 0.642 4.826 3.261 506 2HB PHE 579 1HB PHE 579 0.274 3.650 4.499 507 HD1 PHE 579 HD2 PHE 579 2.192 6.802 3.915 508 HD2 PHE 579 HD1 PHE 579 0.291 4.223 6.778 509 HE1 PHE 579 HE2 PHE 579 2.538 8.506 5.684 510 HE2 PHE 579 HE1 PHE 579 0.637 5.928 8.544 511 HZ PHE 579 HZ PHE 579 1.760 8.070 7.997 512 H ILE 580 H ILE 580 3.075 5.456 2.317 513 HA ILE 580 HA ILE 580 5.263 6.520 4.105 514 HB ILE 580 HB ILE 580 6.282 6.867 1.601 515 1HG1 ILE 580 2HG1 ILE 580 5.204 4.046 1.624 516 2HG1 ILE 580 1HG1 ILE 580 4.427 5.360 0.728 517 1HG2 ILE 580 2HG2 ILE 580 7.045 5.626 3.906 518 2HG2 ILE 580 1HG2 ILE 580 7.088 4.299 2.742 519 3HG2 ILE 580 3HG2 ILE 580 8.014 5.775 2.428 520 1HD1 ILE 580 1HD1 ILE 580 6.707 5.793 -0.328 521 2HD1 ILE 580 3HD1 ILE 580 7.208 4.243 0.342 522 3HD1 ILE 580 2HD1 ILE 580 5.895 4.309 -0.834 523 H ARG 581 H ARG 581 5.401 8.770 3.938 524 HA ARG 581 HA ARG 581 3.316 10.159 2.357 525 1HB ARG 581 2HB ARG 581 5.353 11.378 4.249 526 2HB ARG 581 1HB ARG 581 3.837 12.096 3.713 527 1HG ARG 581 2HG ARG 581 2.648 10.155 4.850 528 2HG ARG 581 1HG ARG 581 4.200 9.724 5.561 529 1HD ARG 581 2HD ARG 581 3.901 11.270 7.164 530 2HD ARG 581 1HD ARG 581 3.804 12.531 5.934 531 HE ARG 581 HE ARG 581 1.285 11.473 5.857 532 1HH1 ARG 581 2HH1 ARG 581 3.028 13.554 7.810 533 2HH1 ARG 581 1HH1 ARG 581 1.900 13.559 9.123 534 1HH2 ARG 581 1HH2 ARG 581 -0.045 11.005 7.813 535 2HH2 ARG 581 2HH2 ARG 581 0.160 12.116 9.125 536 H ILE 582 H ILE 582 4.088 10.248 0.210 537 HA ILE 582 HA ILE 582 6.944 11.001 -0.106 538 HB ILE 582 HB ILE 582 4.972 9.871 -2.108 539 1HG1 ILE 582 2HG1 ILE 582 6.367 7.828 -1.914 540 2HG1 ILE 582 1HG1 ILE 582 7.351 8.609 -0.681 541 1HG2 ILE 582 3HG2 ILE 582 6.961 11.418 -2.884 542 2HG2 ILE 582 2HG2 ILE 582 7.952 10.006 -2.518 543 3HG2 ILE 582 1HG2 ILE 582 6.657 9.891 -3.713 544 1HD1 ILE 582 1HD1 ILE 582 4.392 8.501 -0.288 545 2HD1 ILE 582 3HD1 ILE 582 5.344 7.052 0.022 546 3HD1 ILE 582 2HD1 ILE 582 5.684 8.530 0.911 547 H GLU 583 H GLU 583 7.440 12.991 -0.553 548 HA GLU 583 HA GLU 583 5.540 15.064 -1.162 549 1HB GLU 583 2HB GLU 583 8.421 14.778 -0.657 550 2HB GLU 583 1HB GLU 583 8.047 16.060 -1.801 551 1HG GLU 583 2HG GLU 583 6.575 17.135 -0.217 552 2HG GLU 583 1HG GLU 583 6.650 15.750 0.872 553 H SER 584 H SER 584 6.545 16.588 -3.159 554 HA SER 584 HA SER 584 5.704 15.292 -5.539 555 1HB SER 584 2HB SER 584 7.325 17.773 -5.017 556 2HB SER 584 1HB SER 584 7.059 17.209 -6.664 557 HG SER 584 HG SER 584 4.864 17.356 -4.944 558 H ASP 585 H ASP 585 8.579 15.137 -3.794 559 HA ASP 585 HA ASP 585 9.989 13.798 -6.055 560 1HB ASP 585 2HB ASP 585 12.045 14.212 -4.552 561 2HB ASP 585 1HB ASP 585 11.342 15.621 -5.348 562 H ASP 586 H ASP 586 11.830 12.369 -4.611 563 HA ASP 586 HA ASP 586 10.170 10.245 -3.503 564 1HB ASP 586 2HB ASP 586 12.265 8.943 -3.463 565 2HB ASP 586 1HB ASP 586 12.012 9.690 -5.041 566 H SER 587 H SER 587 11.014 12.957 -2.048 567 HA SER 587 HA SER 587 12.354 11.861 0.340 568 1HB SER 587 2HB SER 587 10.918 14.506 -0.105 569 2HB SER 587 1HB SER 587 11.837 14.089 1.338 570 HG SER 587 HG SER 587 12.816 15.256 -0.676 571 H VAL 588 H VAL 588 11.158 11.031 2.190 572 HA VAL 588 HA VAL 588 8.269 11.585 2.119 573 HB VAL 588 HB VAL 588 7.513 9.467 1.565 574 1HG1 VAL 588 2HG1 VAL 588 10.210 9.706 0.287 575 2HG1 VAL 588 1HG1 VAL 588 9.077 8.407 -0.085 576 3HG1 VAL 588 3HG1 VAL 588 8.632 10.085 -0.412 577 1HG2 VAL 588 3HG2 VAL 588 9.995 8.517 2.887 578 2HG2 VAL 588 2HG2 VAL 588 8.323 7.992 3.088 579 3HG2 VAL 588 1HG2 VAL 588 9.225 7.502 1.663 580 H GLU 589 H GLU 589 7.171 9.944 3.651 581 HA GLU 589 HA GLU 589 8.660 9.681 6.216 582 1HB GLU 589 2HB GLU 589 5.791 10.637 5.888 583 2HB GLU 589 1HB GLU 589 6.567 10.279 7.427 584 1HG GLU 589 2HG GLU 589 8.364 12.004 6.633 585 2HG GLU 589 1HG GLU 589 7.101 12.546 5.525 586 H TRP 590 H TRP 590 7.395 8.005 7.594 587 HA TRP 590 HA TRP 590 6.357 6.032 5.649 588 1HB TRP 590 2HB TRP 590 8.773 6.166 7.311 589 2HB TRP 590 1HB TRP 590 7.982 4.640 7.184 590 HD1 TRP 590 HD1 TRP 590 9.029 7.392 4.698 591 HE1 TRP 590 HE1 TRP 590 10.140 6.244 2.689 592 HE3 TRP 590 HE3 TRP 590 8.334 2.544 6.032 593 HZ2 TRP 590 HZ2 TRP 590 10.663 3.569 1.761 594 HZ3 TRP 590 HZ3 TRP 590 9.149 0.701 4.576 595 HH2 TRP 590 HH2 TRP 590 10.297 1.212 2.435 596 H GLU 591 H GLU 591 6.116 3.947 6.833 597 HA GLU 591 HA GLU 591 3.931 3.457 8.236 598 1HB GLU 591 2HB GLU 591 5.410 1.860 9.719 599 2HB GLU 591 1HB GLU 591 5.294 1.551 8.011 600 1HG GLU 591 2HG GLU 591 7.387 2.767 7.622 601 2HG GLU 591 1HG GLU 591 7.488 3.149 9.341 602 H SER 592 H SER 592 3.000 3.960 10.189 603 HA SER 592 HA SER 592 4.446 5.633 12.110 604 1HB SER 592 2HB SER 592 1.875 5.563 11.835 605 2HB SER 592 1HB SER 592 1.939 3.986 12.615 606 HG SER 592 HG SER 592 1.673 6.086 13.905 607 H ASP 593 H ASP 593 3.236 3.518 14.193 608 HA ASP 593 HA ASP 593 5.705 1.891 14.064 609 1HB ASP 593 2HB ASP 593 3.739 2.496 16.203 610 2HB ASP 593 1HB ASP 593 4.522 0.913 16.237 611 HA PRO 594 HA PRO 594 2.544 -1.605 14.062 612 1HB PRO 594 2HB PRO 594 -0.120 -0.979 14.032 613 2HB PRO 594 1HB PRO 594 0.801 -1.300 15.509 614 1HG PRO 594 2HG PRO 594 -0.108 1.325 14.392 615 2HG PRO 594 1HG PRO 594 0.130 0.849 16.084 616 1HD PRO 594 2HD PRO 594 1.926 2.398 14.623 617 2HD PRO 594 1HD PRO 594 2.342 1.459 16.071 618 H ASN 595 H ASN 595 3.368 -1.607 11.996 619 HA ASN 595 HA ASN 595 2.258 -0.154 9.762 620 1HB ASN 595 2HB ASN 595 3.560 -2.873 9.493 621 2HB ASN 595 1HB ASN 595 3.552 -1.552 8.331 622 1HD2 ASN 595 2HD2 ASN 595 6.892 -1.326 9.773 623 2HD2 ASN 595 1HD2 ASN 595 6.037 -2.259 8.637 624 H ARG 596 H ARG 596 1.879 -2.514 7.978 625 HA ARG 596 HA ARG 596 -0.700 -3.542 9.075 626 1HB ARG 596 2HB ARG 596 -0.144 -2.362 6.343 627 2HB ARG 596 1HB ARG 596 -1.536 -3.400 6.655 628 1HG ARG 596 2HG ARG 596 -1.158 -1.232 8.623 629 2HG ARG 596 1HG ARG 596 -1.543 -0.684 6.991 630 1HD ARG 596 2HD ARG 596 -3.698 -1.074 7.609 631 2HD ARG 596 1HD ARG 596 -3.301 -2.762 7.282 632 HE ARG 596 HE ARG 596 -3.601 -3.125 9.580 633 1HH1 ARG 596 1HH2 ARG 596 -4.231 0.051 9.394 634 2HH1 ARG 596 2HH2 ARG 596 -3.454 0.529 10.867 635 1HH2 ARG 596 1HH1 ARG 596 -2.099 -0.919 11.952 636 2HH2 ARG 596 2HH1 ARG 596 -1.838 -2.507 11.310 637 H GLU 597 H GLU 597 -1.420 -5.394 7.347 638 HA GLU 597 HA GLU 597 0.861 -6.852 6.255 639 1HB GLU 597 2HB GLU 597 0.565 -8.839 7.706 640 2HB GLU 597 1HB GLU 597 1.053 -7.427 8.643 641 1HG GLU 597 2HG GLU 597 -1.572 -7.080 8.848 642 2HG GLU 597 1HG GLU 597 -1.595 -8.817 8.546 643 H TYR 598 H TYR 598 0.194 -8.617 4.937 644 HA TYR 598 HA TYR 598 -2.748 -8.920 4.648 645 1HB TYR 598 2HB TYR 598 -1.888 -7.479 2.794 646 2HB TYR 598 1HB TYR 598 -0.863 -8.824 2.316 647 HD1 TYR 598 HD1 TYR 598 -4.449 -7.950 2.969 648 HD2 TYR 598 HD2 TYR 598 -1.654 -10.595 1.035 649 HE1 TYR 598 HE1 TYR 598 -6.307 -9.107 1.851 650 HE2 TYR 598 HE2 TYR 598 -3.543 -11.756 -0.080 651 HH TYR 598 HH TYR 598 -6.111 -12.068 0.518 652 H THR 599 H THR 599 -3.444 -11.011 4.103 653 HA THR 599 HA THR 599 -1.292 -13.061 4.259 654 HB THR 599 HB THR 599 -3.477 -14.509 4.787 655 HG1 THR 599 HG1 THR 599 -4.697 -13.051 6.248 656 1HG2 THR 599 3HG2 THR 599 -1.291 -13.803 6.107 657 2HG2 THR 599 2HG2 THR 599 -2.443 -12.825 7.023 658 3HG2 THR 599 1HG2 THR 599 -2.645 -14.576 6.934 659 H VAL 600 H VAL 600 -0.804 -13.733 2.255 660 HA VAL 600 HA VAL 600 -2.851 -13.793 0.160 661 HB VAL 600 HB VAL 600 0.064 -14.634 0.144 662 1HG1 VAL 600 1HG1 VAL 600 -1.905 -15.589 -1.552 663 2HG1 VAL 600 3HG1 VAL 600 -1.279 -14.194 -2.439 664 3HG1 VAL 600 2HG1 VAL 600 -0.189 -15.491 -1.940 665 1HG2 VAL 600 3HG2 VAL 600 -0.866 -12.131 0.180 666 2HG2 VAL 600 2HG2 VAL 600 0.529 -12.599 -0.795 667 3HG2 VAL 600 1HG2 VAL 600 -1.068 -12.460 -1.546 668 HA PRO 601 HA PRO 601 -3.938 -17.977 1.198 669 1HB PRO 601 2HB PRO 601 -5.527 -18.436 -1.000 670 2HB PRO 601 1HB PRO 601 -6.052 -17.499 0.410 671 1HG PRO 601 2HG PRO 601 -5.212 -16.526 -2.290 672 2HG PRO 601 1HG PRO 601 -6.355 -15.804 -1.142 673 1HD PRO 601 2HD PRO 601 -3.710 -14.941 -1.534 674 2HD PRO 601 1HD PRO 601 -4.709 -14.562 -0.120 675 H GLN 602 H GLN 602 -3.644 -20.168 0.245 676 HA GLN 602 HA GLN 602 -1.432 -20.170 -1.753 677 1HB GLN 602 2HB GLN 602 -2.328 -22.198 0.310 678 2HB GLN 602 1HB GLN 602 -1.120 -22.556 -0.924 679 1HG GLN 602 2HG GLN 602 0.438 -21.639 0.414 680 2HG GLN 602 1HG GLN 602 -0.360 -20.081 0.200 681 1HE2 GLN 602 2HE2 GLN 602 -0.687 -20.244 3.758 682 2HE2 GLN 602 1HE2 GLN 602 0.231 -19.583 2.493 683 H ALA 603 H ALA 603 -4.742 -20.649 -1.591 684 HA ALA 603 HA ALA 603 -4.637 -22.356 -4.037 685 1HB ALA 603 2HB ALA 603 -5.557 -23.313 -1.671 686 2HB ALA 603 1HB ALA 603 -7.037 -22.599 -2.310 687 3HB ALA 603 3HB ALA 603 -6.186 -23.837 -3.233 688 H CYS 604 H CYS 604 -5.777 -21.512 -5.727 689 HA CYS 604 HA CYS 604 -8.200 -20.050 -5.525 690 1HB CYS 604 2HB CYS 604 -7.561 -17.779 -5.701 691 2HB CYS 604 1HB CYS 604 -6.518 -18.422 -4.437 692 H GLY 605 H GLY 605 -7.518 -18.165 -7.695 693 1HA GLY 605 2HA GLY 605 -6.566 -19.886 -9.892 694 2HA GLY 605 1HA GLY 605 -8.256 -19.383 -9.985 695 H THR 606 H THR 606 -7.991 -16.799 -8.875 696 HA THR 606 HA THR 606 -6.520 -15.440 -11.082 697 HB THR 606 HB THR 606 -9.031 -15.056 -10.695 698 HG1 THR 606 HG1 THR 606 -8.687 -13.206 -11.616 699 1HG2 THR 606 1HG2 THR 606 -8.170 -14.637 -8.080 700 2HG2 THR 606 3HG2 THR 606 -8.509 -13.015 -8.681 701 3HG2 THR 606 2HG2 THR 606 -9.766 -14.251 -8.724 702 H SER 607 H SER 607 -6.756 -12.908 -9.355 703 HA SER 607 HA SER 607 -4.958 -13.473 -7.109 704 1HB SER 607 2HB SER 607 -3.077 -12.209 -7.921 705 2HB SER 607 1HB SER 607 -3.477 -13.395 -9.161 706 HG SER 607 HG SER 607 -4.919 -11.489 -9.885 707 H THR 608 H THR 608 -6.259 -12.332 -5.687 708 HA THR 608 HA THR 608 -6.317 -9.412 -6.042 709 HB THR 608 HB THR 608 -8.850 -9.502 -5.402 710 HG1 THR 608 HG1 THR 608 -9.810 -11.382 -6.394 711 1HG2 THR 608 3HG2 THR 608 -7.807 -8.716 -7.578 712 2HG2 THR 608 2HG2 THR 608 -8.076 -10.344 -8.202 713 3HG2 THR 608 1HG2 THR 608 -9.448 -9.347 -7.719 714 H ALA 609 H ALA 609 -7.062 -8.317 -4.024 715 HA ALA 609 HA ALA 609 -7.386 -9.867 -1.601 716 1HB ALA 609 2HB ALA 609 -4.692 -9.022 -2.491 717 2HB ALA 609 1HB ALA 609 -5.070 -8.757 -0.792 718 3HB ALA 609 3HB ALA 609 -5.172 -10.374 -1.476 719 H THR 610 H THR 610 -6.461 -8.114 0.282 720 HA THR 610 HA THR 610 -7.463 -5.412 -0.393 721 HB THR 610 HB THR 610 -8.536 -6.941 1.970 722 HG1 THR 610 HG1 THR 610 -9.421 -6.826 -0.702 723 1HG2 THR 610 1HG2 THR 610 -8.804 -4.252 0.872 724 2HG2 THR 610 3HG2 THR 610 -10.373 -5.038 1.058 725 3HG2 THR 610 2HG2 THR 610 -9.299 -4.871 2.448 726 H VAL 611 H VAL 611 -6.869 -3.828 1.163 727 HA VAL 611 HA VAL 611 -5.593 -4.390 3.661 728 HB VAL 611 HB VAL 611 -3.807 -3.991 1.269 729 1HG1 VAL 611 2HG1 VAL 611 -3.186 -3.123 4.114 730 2HG1 VAL 611 1HG1 VAL 611 -2.000 -3.239 2.814 731 3HG1 VAL 611 3HG1 VAL 611 -3.309 -2.060 2.713 732 1HG2 VAL 611 3HG2 VAL 611 -4.029 -5.788 3.648 733 2HG2 VAL 611 2HG2 VAL 611 -3.643 -6.191 1.979 734 3HG2 VAL 611 1HG2 VAL 611 -2.416 -5.467 3.016 735 H THR 612 H THR 612 -6.863 -2.734 4.462 736 HA THR 612 HA THR 612 -7.030 -0.137 3.117 737 HB THR 612 HB THR 612 -7.919 -0.122 5.877 738 HG1 THR 612 HG1 THR 612 -9.040 -1.910 5.949 739 1HG2 THR 612 3HG2 THR 612 -8.638 1.159 3.681 740 2HG2 THR 612 2HG2 THR 612 -9.726 -0.216 3.489 741 3HG2 THR 612 1HG2 THR 612 -9.829 0.796 4.930 742 H ASP 613 H ASP 613 -5.461 1.328 3.261 743 HA ASP 613 HA ASP 613 -3.700 1.353 5.671 744 1HB ASP 613 2HB ASP 613 -2.634 3.176 3.906 745 2HB ASP 613 1HB ASP 613 -2.091 1.516 4.109 746 H THR 614 H THR 614 -3.980 3.010 7.104 747 HA THR 614 HA THR 614 -5.861 5.139 6.248 748 HB THR 614 HB THR 614 -4.743 4.584 9.009 749 HG1 THR 614 HG1 THR 614 -6.523 3.471 9.303 750 1HG2 THR 614 1HG2 THR 614 -5.890 6.891 7.793 751 2HG2 THR 614 3HG2 THR 614 -7.083 6.228 8.921 752 3HG2 THR 614 2HG2 THR 614 -5.469 6.654 9.497 753 H TRP 615 H TRP 615 -5.109 7.111 5.678 754 HA TRP 615 HA TRP 615 -2.224 7.592 6.197 755 1HB TRP 615 2HB TRP 615 -2.644 7.804 3.912 756 2HB TRP 615 1HB TRP 615 -4.160 8.628 4.176 757 HD1 TRP 615 HD1 TRP 615 -3.973 11.200 5.140 758 HE1 TRP 615 HE1 TRP 615 -2.153 12.969 4.679 759 HE3 TRP 615 HE3 TRP 615 -0.288 8.162 3.454 760 HZ2 TRP 615 HZ2 TRP 615 0.546 13.059 3.714 761 HZ3 TRP 615 HZ3 TRP 615 1.906 9.080 2.781 762 HH2 TRP 615 HH2 TRP 615 2.318 11.540 2.895 763 H ARG 616 H ARG 616 -5.427 8.940 6.753 764 HA ARG 616 HA ARG 616 -4.523 11.476 7.791 765 1HB ARG 616 2HB ARG 616 -6.830 11.178 7.026 766 2HB ARG 616 1HB ARG 616 -7.105 9.953 8.265 767 1HG ARG 616 2HG ARG 616 -6.353 11.823 9.929 768 2HG ARG 616 1HG ARG 616 -6.723 12.920 8.598 769 1HD ARG 616 2HD ARG 616 -8.823 12.852 9.508 770 2HD ARG 616 1HD ARG 616 -8.946 11.379 8.546 771 HE ARG 616 HE ARG 616 -7.974 10.344 10.824 772 1HH1 ARG 616 1HH1 ARG 616 -10.942 11.492 9.923 773 2HH1 ARG 616 2HH1 ARG 616 -11.562 11.722 11.524 774 1HH2 ARG 616 1HH2 ARG 616 -8.503 11.200 13.071 775 2HH2 ARG 616 2HH2 ARG 616 -10.181 11.557 13.306 No H/Q in entry = 775 Start of MODEL 2 1 1H CYS 509 3H CYS 509 -6.613 -18.942 -16.214 2 2H CYS 509 2H CYS 509 -8.189 -19.251 -15.659 3 3H CYS 509 1H CYS 509 -7.919 -18.060 -16.841 4 HA CYS 509 HA CYS 509 -7.930 -16.611 -15.164 5 1HB CYS 509 2HB CYS 509 -7.476 -17.446 -12.776 6 2HB CYS 509 1HB CYS 509 -8.922 -18.073 -13.569 7 H THR 510 H THR 510 -6.247 -15.744 -13.426 8 HA THR 510 HA THR 510 -3.617 -15.888 -14.749 9 HB THR 510 HB THR 510 -3.548 -14.257 -12.403 10 HG1 THR 510 HG1 THR 510 -5.674 -13.525 -14.088 11 1HG2 THR 510 3HG2 THR 510 -3.526 -13.855 -15.381 12 2HG2 THR 510 2HG2 THR 510 -3.568 -12.457 -14.306 13 3HG2 THR 510 1HG2 THR 510 -2.227 -13.599 -14.215 14 H THR 511 H THR 511 -1.710 -15.753 -12.977 15 HA THR 511 HA THR 511 -1.286 -18.268 -11.913 16 HB THR 511 HB THR 511 0.607 -16.936 -11.770 17 HG1 THR 511 HG1 THR 511 1.033 -16.635 -9.570 18 1HG2 THR 511 2HG2 THR 511 -1.308 -14.823 -10.809 19 2HG2 THR 511 1HG2 THR 511 0.429 -14.634 -10.563 20 3HG2 THR 511 3HG2 THR 511 -0.220 -14.782 -12.197 21 HA PRO 512 HA PRO 512 -4.347 -18.385 -8.680 22 1HB PRO 512 2HB PRO 512 -3.760 -20.938 -7.852 23 2HB PRO 512 1HB PRO 512 -4.730 -20.574 -9.290 24 1HG PRO 512 2HG PRO 512 -1.914 -21.538 -9.121 25 2HG PRO 512 1HG PRO 512 -3.095 -21.747 -10.425 26 1HD PRO 512 2HD PRO 512 -0.961 -19.882 -10.395 27 2HD PRO 512 1HD PRO 512 -2.328 -19.891 -11.530 28 H THR 513 H THR 513 -0.917 -19.000 -8.268 29 HA THR 513 HA THR 513 -1.118 -18.862 -5.325 30 HB THR 513 HB THR 513 1.248 -19.345 -5.320 31 HG1 THR 513 HG1 THR 513 2.460 -19.208 -7.156 32 1HG2 THR 513 3HG2 THR 513 -0.272 -21.230 -5.849 33 2HG2 THR 513 2HG2 THR 513 -0.081 -20.883 -7.568 34 3HG2 THR 513 1HG2 THR 513 1.303 -21.424 -6.618 35 H ALA 514 H ALA 514 -1.312 -16.595 -7.651 36 HA ALA 514 HA ALA 514 0.396 -14.646 -6.178 37 1HB ALA 514 3HB ALA 514 -0.770 -14.467 -8.963 38 2HB ALA 514 2HB ALA 514 0.229 -13.233 -8.195 39 3HB ALA 514 1HB ALA 514 0.914 -14.816 -8.570 40 H VAL 515 H VAL 515 -0.648 -13.110 -4.941 41 HA VAL 515 HA VAL 515 -3.477 -12.573 -5.666 42 HB VAL 515 HB VAL 515 -2.589 -12.586 -2.811 43 1HG1 VAL 515 3HG1 VAL 515 -4.836 -11.624 -3.975 44 2HG1 VAL 515 2HG1 VAL 515 -5.320 -13.300 -3.721 45 3HG1 VAL 515 1HG1 VAL 515 -4.815 -12.311 -2.352 46 1HG2 VAL 515 2HG2 VAL 515 -2.137 -14.817 -3.842 47 2HG2 VAL 515 1HG2 VAL 515 -3.458 -14.891 -2.680 48 3HG2 VAL 515 3HG2 VAL 515 -3.807 -14.866 -4.406 49 H ALA 516 H ALA 516 -3.532 -10.541 -6.422 50 HA ALA 516 HA ALA 516 -1.595 -8.543 -5.542 51 1HB ALA 516 3HB ALA 516 -4.040 -8.302 -7.316 52 2HB ALA 516 2HB ALA 516 -2.851 -7.026 -7.056 53 3HB ALA 516 1HB ALA 516 -2.378 -8.523 -7.862 54 H VAL 517 H VAL 517 -1.833 -7.290 -3.825 55 HA VAL 517 HA VAL 517 -4.497 -7.187 -2.488 56 HB VAL 517 HB VAL 517 -1.998 -6.019 -1.312 57 1HG1 VAL 517 1HG1 VAL 517 -4.638 -6.451 -0.471 58 2HG1 VAL 517 3HG1 VAL 517 -3.685 -7.680 0.364 59 3HG1 VAL 517 2HG1 VAL 517 -3.273 -5.967 0.531 60 1HG2 VAL 517 3HG2 VAL 517 -1.396 -8.264 -2.213 61 2HG2 VAL 517 2HG2 VAL 517 -1.377 -8.220 -0.449 62 3HG2 VAL 517 1HG2 VAL 517 -2.730 -8.960 -1.297 63 H THR 518 H THR 518 -5.744 -5.386 -2.565 64 HA THR 518 HA THR 518 -4.640 -2.956 -3.811 65 HB THR 518 HB THR 518 -7.199 -2.307 -3.082 66 HG1 THR 518 HG1 THR 518 -8.329 -4.304 -3.696 67 1HG2 THR 518 1HG2 THR 518 -6.050 -2.204 -5.328 68 2HG2 THR 518 3HG2 THR 518 -6.477 -3.901 -5.549 69 3HG2 THR 518 2HG2 THR 518 -7.745 -2.686 -5.391 70 H PHE 519 H PHE 519 -4.463 -0.923 -2.758 71 HA PHE 519 HA PHE 519 -4.694 -1.075 0.211 72 1HB PHE 519 2HB PHE 519 -2.810 0.693 -1.351 73 2HB PHE 519 1HB PHE 519 -2.739 0.251 0.349 74 HD1 PHE 519 HD1 PHE 519 -2.418 -2.222 0.948 75 HD2 PHE 519 HD2 PHE 519 -1.744 -0.639 -2.978 76 HE1 PHE 519 HE1 PHE 519 -1.066 -4.227 0.370 77 HE2 PHE 519 HE2 PHE 519 -0.379 -2.625 -3.547 78 HZ PHE 519 HZ PHE 519 -0.042 -4.424 -1.872 79 H ASP 520 H ASP 520 -6.223 0.285 0.982 80 HA ASP 520 HA ASP 520 -6.950 2.611 -0.729 81 1HB ASP 520 2HB ASP 520 -9.128 2.323 0.838 82 2HB ASP 520 1HB ASP 520 -8.959 1.525 -0.724 83 H LEU 521 H LEU 521 -6.284 4.467 0.055 84 HA LEU 521 HA LEU 521 -5.782 4.838 2.962 85 1HB LEU 521 2HB LEU 521 -4.893 6.311 0.694 86 2HB LEU 521 1HB LEU 521 -5.640 7.390 1.831 87 HG LEU 521 HG LEU 521 -4.074 7.043 3.383 88 1HD1 LEU 521 3HD1 LEU 521 -3.882 4.285 2.458 89 2HD1 LEU 521 2HD1 LEU 521 -2.441 5.020 3.194 90 3HD1 LEU 521 1HD1 LEU 521 -3.967 4.978 4.086 91 1HD2 LEU 521 3HD2 LEU 521 -2.641 6.439 0.815 92 2HD2 LEU 521 2HD2 LEU 521 -2.983 8.029 1.508 93 3HD2 LEU 521 1HD2 LEU 521 -1.844 6.944 2.307 94 H THR 522 H THR 522 -7.321 5.310 4.336 95 HA THR 522 HA THR 522 -9.551 7.004 3.421 96 HB THR 522 HB THR 522 -9.718 7.011 6.161 97 HG1 THR 522 HG1 THR 522 -7.971 5.519 6.233 98 1HG2 THR 522 2HG2 THR 522 -11.306 6.422 4.162 99 2HG2 THR 522 1HG2 THR 522 -10.871 4.754 4.560 100 3HG2 THR 522 3HG2 THR 522 -11.647 5.775 5.773 101 H ALA 523 H ALA 523 -8.461 8.812 2.750 102 HA ALA 523 HA ALA 523 -7.527 10.646 4.825 103 1HB ALA 523 2HB ALA 523 -5.695 9.107 3.060 104 2HB ALA 523 1HB ALA 523 -5.384 10.846 3.152 105 3HB ALA 523 3HB ALA 523 -5.390 9.874 4.624 106 H THR 524 H THR 524 -8.760 12.364 4.153 107 HA THR 524 HA THR 524 -9.201 12.844 1.286 108 HB THR 524 HB THR 524 -11.004 13.197 2.983 109 HG1 THR 524 HG1 THR 524 -10.359 15.724 1.966 110 1HG2 THR 524 2HG2 THR 524 -8.831 14.556 4.215 111 2HG2 THR 524 1HG2 THR 524 -10.127 15.729 3.946 112 3HG2 THR 524 3HG2 THR 524 -10.446 14.262 4.875 113 H THR 525 H THR 525 -6.529 13.025 1.990 114 HA THR 525 HA THR 525 -5.470 15.519 2.726 115 HB THR 525 HB THR 525 -4.476 13.485 0.712 116 HG1 THR 525 HG1 THR 525 -4.082 14.009 3.449 117 1HG2 THR 525 2HG2 THR 525 -3.306 16.068 1.684 118 2HG2 THR 525 1HG2 THR 525 -2.231 14.706 1.366 119 3HG2 THR 525 3HG2 THR 525 -3.244 15.349 0.074 120 H THR 526 H THR 526 -5.090 17.455 1.593 121 HA THR 526 HA THR 526 -6.247 17.587 -1.164 122 HB THR 526 HB THR 526 -7.704 18.682 0.544 123 HG1 THR 526 HG1 THR 526 -8.123 19.971 -1.035 124 1HG2 THR 526 2HG2 THR 526 -5.257 19.530 1.594 125 2HG2 THR 526 1HG2 THR 526 -5.981 20.994 0.927 126 3HG2 THR 526 3HG2 THR 526 -6.859 20.045 2.126 127 H TYR 527 H TYR 527 -3.403 17.426 0.107 128 HA TYR 527 HA TYR 527 -2.233 19.940 -0.903 129 1HB TYR 527 2HB TYR 527 -1.530 18.391 1.192 130 2HB TYR 527 1HB TYR 527 -0.515 17.663 -0.046 131 HD1 TYR 527 HD1 TYR 527 -0.658 20.722 -1.425 132 HD2 TYR 527 HD2 TYR 527 0.767 18.932 2.213 133 HE1 TYR 527 HE1 TYR 527 0.953 22.578 -1.141 134 HE2 TYR 527 HE2 TYR 527 2.387 20.789 2.488 135 HH TYR 527 HH TYR 527 2.928 22.875 1.770 136 H GLY 528 H GLY 528 0.117 19.080 -2.065 137 1HA GLY 528 2HA GLY 528 -0.899 17.708 -4.495 138 2HA GLY 528 1HA GLY 528 0.532 18.741 -4.434 139 H GLU 529 H GLU 529 0.297 16.704 -1.738 140 HA GLU 529 HA GLU 529 2.665 15.218 -2.546 141 1HB GLU 529 2HB GLU 529 2.353 14.053 -0.362 142 2HB GLU 529 1HB GLU 529 2.330 15.809 -0.198 143 1HG GLU 529 2HG GLU 529 0.323 15.626 0.804 144 2HG GLU 529 1HG GLU 529 -0.334 15.067 -0.736 145 H ASN 530 H ASN 530 2.326 12.652 -1.751 146 HA ASN 530 HA ASN 530 -0.121 11.497 -2.973 147 1HB ASN 530 2HB ASN 530 1.992 11.943 -4.670 148 2HB ASN 530 1HB ASN 530 2.419 10.374 -4.022 149 1HD2 ASN 530 2HD2 ASN 530 -0.076 8.640 -5.782 150 2HD2 ASN 530 1HD2 ASN 530 1.204 8.550 -4.674 151 H ILE 531 H ILE 531 -0.404 9.388 -2.132 152 HA ILE 531 HA ILE 531 1.619 8.696 -0.084 153 HB ILE 531 HB ILE 531 -1.175 7.643 -0.551 154 1HG1 ILE 531 2HG1 ILE 531 -1.268 8.693 1.863 155 2HG1 ILE 531 1HG1 ILE 531 0.134 9.601 1.304 156 1HG2 ILE 531 1HG2 ILE 531 1.038 6.390 0.706 157 2HG2 ILE 531 3HG2 ILE 531 -0.017 6.966 1.996 158 3HG2 ILE 531 2HG2 ILE 531 -0.652 5.886 0.754 159 1HD1 ILE 531 2HD1 ILE 531 -1.719 9.660 -0.802 160 2HD1 ILE 531 1HD1 ILE 531 -2.641 9.988 0.665 161 3HD1 ILE 531 3HD1 ILE 531 -1.255 10.996 0.251 162 H TYR 532 H TYR 532 3.204 7.428 -0.769 163 HA TYR 532 HA TYR 532 2.659 5.453 -2.875 164 1HB TYR 532 2HB TYR 532 5.177 6.248 -1.446 165 2HB TYR 532 1HB TYR 532 5.109 4.863 -2.508 166 HD1 TYR 532 HD1 TYR 532 3.688 8.321 -2.641 167 HD2 TYR 532 HD2 TYR 532 6.024 5.292 -4.599 168 HE1 TYR 532 HE1 TYR 532 4.046 9.838 -4.582 169 HE2 TYR 532 HE2 TYR 532 6.376 6.806 -6.530 170 HH TYR 532 HH TYR 532 4.562 9.559 -7.055 171 H LEU 533 H LEU 533 4.147 3.290 -2.138 172 HA LEU 533 HA LEU 533 3.488 2.527 0.619 173 1HB LEU 533 2HB LEU 533 1.378 1.908 -0.126 174 2HB LEU 533 1HB LEU 533 1.944 1.542 -1.753 175 HG LEU 533 HG LEU 533 3.117 -0.477 -0.829 176 1HD1 LEU 533 2HD1 LEU 533 1.702 0.439 1.684 177 2HD1 LEU 533 1HD1 LEU 533 2.264 -1.219 1.458 178 3HD1 LEU 533 3HD1 LEU 533 3.422 0.111 1.471 179 1HD2 LEU 533 1HD2 LEU 533 0.758 -0.472 -1.797 180 2HD2 LEU 533 3HD2 LEU 533 1.134 -1.817 -0.720 181 3HD2 LEU 533 2HD2 LEU 533 0.171 -0.462 -0.134 182 H VAL 534 H VAL 534 5.164 1.350 1.305 183 HA VAL 534 HA VAL 534 6.576 -0.368 -0.696 184 HB VAL 534 HB VAL 534 8.013 1.480 -0.090 185 1HG1 VAL 534 1HG1 VAL 534 6.740 1.397 2.338 186 2HG1 VAL 534 3HG1 VAL 534 8.370 0.817 2.683 187 3HG1 VAL 534 2HG1 VAL 534 8.138 2.394 1.923 188 1HG2 VAL 534 3HG2 VAL 534 8.873 -0.975 1.379 189 2HG2 VAL 534 2HG2 VAL 534 9.178 -0.601 -0.318 190 3HG2 VAL 534 1HG2 VAL 534 9.892 0.391 0.941 191 H GLY 535 H GLY 535 7.756 -2.252 0.645 192 1HA GLY 535 2HA GLY 535 6.054 -2.922 3.002 193 2HA GLY 535 1HA GLY 535 5.936 -3.981 1.609 194 H SER 536 H SER 536 6.528 -5.465 3.449 195 HA SER 536 HA SER 536 9.343 -5.493 4.237 196 1HB SER 536 2HB SER 536 7.480 -6.096 5.807 197 2HB SER 536 1HB SER 536 7.203 -7.534 4.829 198 HG SER 536 HG SER 536 8.945 -7.215 6.771 199 H ILE 537 H ILE 537 8.351 -6.076 1.382 200 HA ILE 537 HA ILE 537 10.093 -8.448 1.046 201 HB ILE 537 HB ILE 537 8.485 -9.606 -0.360 202 1HG1 ILE 537 2HG1 ILE 537 6.737 -7.189 0.190 203 2HG1 ILE 537 1HG1 ILE 537 7.362 -7.713 -1.375 204 1HG2 ILE 537 3HG2 ILE 537 8.342 -9.534 2.309 205 2HG2 ILE 537 2HG2 ILE 537 6.760 -8.835 1.958 206 3HG2 ILE 537 1HG2 ILE 537 7.172 -10.439 1.349 207 1HD1 ILE 537 2HD1 ILE 537 6.024 -9.933 -0.205 208 2HD1 ILE 537 1HD1 ILE 537 4.955 -8.538 -0.061 209 3HD1 ILE 537 3HD1 ILE 537 5.560 -9.027 -1.643 210 H SER 538 H SER 538 10.893 -8.607 -1.193 211 HA SER 538 HA SER 538 11.579 -6.108 -2.311 212 1HB SER 538 2HB SER 538 11.354 -8.758 -3.750 213 2HB SER 538 1HB SER 538 12.197 -7.331 -4.347 214 HG SER 538 HG SER 538 13.491 -8.975 -3.194 215 H GLN 539 H GLN 539 8.679 -8.018 -2.703 216 HA GLN 539 HA GLN 539 7.698 -7.072 -5.142 217 1HB GLN 539 2HB GLN 539 6.053 -7.415 -2.668 218 2HB GLN 539 1HB GLN 539 5.509 -7.573 -4.326 219 1HG GLN 539 2HG GLN 539 7.409 -9.388 -2.830 220 2HG GLN 539 1HG GLN 539 5.842 -9.806 -3.522 221 1HE2 GLN 539 2HE2 GLN 539 7.426 -9.201 -6.925 222 2HE2 GLN 539 1HE2 GLN 539 6.269 -8.326 -6.043 223 H LEU 540 H LEU 540 7.629 -5.500 -1.972 224 HA LEU 540 HA LEU 540 6.436 -3.088 -3.199 225 1HB LEU 540 2HB LEU 540 7.043 -3.830 -0.296 226 2HB LEU 540 1HB LEU 540 6.622 -2.189 -0.819 227 HG LEU 540 HG LEU 540 4.502 -2.997 -0.291 228 1HD1 LEU 540 1HD1 LEU 540 4.472 -2.361 -2.681 229 2HD1 LEU 540 3HD1 LEU 540 4.817 -4.036 -3.116 230 3HD1 LEU 540 2HD1 LEU 540 3.297 -3.625 -2.321 231 1HD2 LEU 540 1HD2 LEU 540 5.632 -5.665 -1.107 232 2HD2 LEU 540 3HD2 LEU 540 4.964 -5.179 0.450 233 3HD2 LEU 540 2HD2 LEU 540 3.891 -5.446 -0.924 234 H GLY 541 H GLY 541 9.052 -3.970 -3.929 235 1HA GLY 541 2HA GLY 541 11.071 -2.868 -4.467 236 2HA GLY 541 1HA GLY 541 10.490 -1.467 -3.564 237 H ASP 542 H ASP 542 10.275 -4.386 -1.844 238 HA ASP 542 HA ASP 542 11.657 -5.374 -0.208 239 1HB ASP 542 2HB ASP 542 13.740 -3.273 -0.721 240 2HB ASP 542 1HB ASP 542 13.962 -4.895 -0.069 241 H TRP 543 H TRP 543 12.389 -1.970 -0.153 242 HA TRP 543 HA TRP 543 10.694 -1.244 1.968 243 1HB TRP 543 2HB TRP 543 13.421 -2.211 2.741 244 2HB TRP 543 1HB TRP 543 12.790 -0.779 3.569 245 HD1 TRP 543 HD1 TRP 543 12.953 -4.161 4.355 246 HE1 TRP 543 HE1 TRP 543 10.831 -5.077 5.499 247 HE3 TRP 543 HE3 TRP 543 9.679 -0.403 3.274 248 HZ2 TRP 543 HZ2 TRP 543 8.085 -4.318 5.841 249 HZ3 TRP 543 HZ3 TRP 543 7.326 -0.523 4.029 250 HH2 TRP 543 HH2 TRP 543 6.547 -2.479 5.330 251 H GLU 544 H GLU 544 11.251 -0.207 -0.474 252 HA GLU 544 HA GLU 544 12.798 2.252 0.276 253 1HB GLU 544 2HB GLU 544 12.636 0.730 -2.303 254 2HB GLU 544 1HB GLU 544 12.877 2.480 -2.337 255 1HG GLU 544 2HG GLU 544 15.041 1.283 -2.336 256 2HG GLU 544 1HG GLU 544 14.840 2.255 -0.878 257 H THR 545 H THR 545 11.595 4.061 0.295 258 HA THR 545 HA THR 545 8.787 3.793 -0.429 259 HB THR 545 HB THR 545 9.138 5.144 1.497 260 HG1 THR 545 HG1 THR 545 8.960 6.992 -0.641 261 1HG2 THR 545 1HG2 THR 545 11.338 6.405 -0.133 262 2HG2 THR 545 3HG2 THR 545 10.699 7.175 1.318 263 3HG2 THR 545 2HG2 THR 545 11.460 5.590 1.427 264 H SER 546 H SER 546 11.729 5.162 -1.758 265 HA SER 546 HA SER 546 10.400 6.702 -3.816 266 1HB SER 546 2HB SER 546 12.919 6.492 -4.675 267 2HB SER 546 1HB SER 546 12.474 7.626 -3.413 268 HG SER 546 HG SER 546 14.246 5.785 -3.226 269 H ASP 547 H ASP 547 11.414 3.510 -3.313 270 HA ASP 547 HA ASP 547 10.935 2.867 -6.177 271 1HB ASP 547 2HB ASP 547 12.774 1.686 -4.143 272 2HB ASP 547 1HB ASP 547 12.061 0.596 -5.331 273 H GLY 548 H GLY 548 9.504 2.900 -3.232 274 1HA GLY 548 2HA GLY 548 8.173 0.349 -3.133 275 2HA GLY 548 1HA GLY 548 7.590 1.834 -2.355 276 H ILE 549 H ILE 549 5.475 2.128 -3.150 277 HA ILE 549 HA ILE 549 5.312 2.418 -6.090 278 HB ILE 549 HB ILE 549 3.540 0.562 -4.482 279 1HG1 ILE 549 2HG1 ILE 549 5.453 0.220 -6.808 280 2HG1 ILE 549 1HG1 ILE 549 5.549 -0.531 -5.214 281 1HG2 ILE 549 2HG2 ILE 549 2.847 2.211 -6.704 282 2HG2 ILE 549 1HG2 ILE 549 2.953 0.551 -7.287 283 3HG2 ILE 549 3HG2 ILE 549 1.878 0.947 -5.947 284 1HD1 ILE 549 1HD1 ILE 549 2.996 -1.177 -6.277 285 2HD1 ILE 549 3HD1 ILE 549 4.175 -1.477 -7.553 286 3HD1 ILE 549 2HD1 ILE 549 4.351 -2.268 -5.988 287 H ALA 550 H ALA 550 4.424 4.326 -6.501 288 HA ALA 550 HA ALA 550 3.089 5.920 -4.549 289 1HB ALA 550 1HB ALA 550 4.101 6.387 -7.050 290 2HB ALA 550 3HB ALA 550 2.360 6.497 -7.314 291 3HB ALA 550 2HB ALA 550 3.132 7.528 -6.111 292 H LEU 551 H LEU 551 0.866 6.324 -4.240 293 HA LEU 551 HA LEU 551 -0.798 4.186 -5.390 294 1HB LEU 551 2HB LEU 551 -1.089 5.815 -2.894 295 2HB LEU 551 1HB LEU 551 -2.453 4.967 -3.568 296 HG LEU 551 HG LEU 551 -0.781 2.924 -3.598 297 1HD1 LEU 551 3HD1 LEU 551 1.080 4.426 -2.793 298 2HD1 LEU 551 2HD1 LEU 551 0.218 4.558 -1.262 299 3HD1 LEU 551 1HD1 LEU 551 0.813 2.990 -1.807 300 1HD2 LEU 551 3HD2 LEU 551 -2.243 4.054 -1.196 301 2HD2 LEU 551 2HD2 LEU 551 -2.855 2.882 -2.366 302 3HD2 LEU 551 1HD2 LEU 551 -1.579 2.419 -1.239 303 H SER 552 H SER 552 -3.288 5.089 -5.199 304 HA SER 552 HA SER 552 -3.356 7.649 -6.659 305 1HB SER 552 2HB SER 552 -3.540 6.343 -8.414 306 2HB SER 552 1HB SER 552 -4.157 4.979 -7.534 307 HG SER 552 HG SER 552 -5.767 5.870 -8.867 308 H ALA 553 H ALA 553 -5.945 8.037 -7.060 309 HA ALA 553 HA ALA 553 -7.393 7.441 -4.549 310 1HB ALA 553 2HB ALA 553 -6.067 9.657 -4.473 311 2HB ALA 553 1HB ALA 553 -7.209 10.226 -5.694 312 3HB ALA 553 3HB ALA 553 -7.795 9.744 -4.106 313 H ASP 554 H ASP 554 -8.113 6.129 -6.704 314 HA ASP 554 HA ASP 554 -9.707 7.492 -8.624 315 1HB ASP 554 2HB ASP 554 -10.689 5.139 -8.886 316 2HB ASP 554 1HB ASP 554 -8.981 5.329 -9.211 317 H LYS 555 H LYS 555 -10.758 5.503 -5.820 318 HA LYS 555 HA LYS 555 -13.434 6.733 -6.025 319 1HB LYS 555 2HB LYS 555 -12.319 4.309 -4.864 320 2HB LYS 555 1HB LYS 555 -13.379 5.148 -3.732 321 1HG LYS 555 2HG LYS 555 -15.053 4.087 -4.844 322 2HG LYS 555 1HG LYS 555 -14.808 5.340 -6.061 323 1HD LYS 555 2HD LYS 555 -13.126 3.852 -7.175 324 2HD LYS 555 1HD LYS 555 -13.547 2.584 -6.022 325 1HE LYS 555 2HE LYS 555 -15.413 2.052 -7.170 326 2HE LYS 555 1HE LYS 555 -15.924 3.738 -7.237 327 1HZ LYS 555 1HZ LYS 555 -13.890 2.506 -9.017 328 2HZ LYS 555 3HZ LYS 555 -15.508 2.788 -9.443 329 3HZ LYS 555 2HZ LYS 555 -14.478 4.098 -9.109 330 H TYR 556 H TYR 556 -10.624 7.790 -4.854 331 HA TYR 556 HA TYR 556 -11.731 8.876 -2.317 332 1HB TYR 556 2HB TYR 556 -9.614 7.941 -1.876 333 2HB TYR 556 1HB TYR 556 -8.960 8.454 -3.417 334 HD1 TYR 556 HD2 TYR 556 -10.900 10.921 -1.491 335 HD2 TYR 556 HD1 TYR 556 -6.964 9.339 -2.209 336 HE1 TYR 556 HE2 TYR 556 -9.934 12.875 -0.401 337 HE2 TYR 556 HE1 TYR 556 -5.990 11.359 -1.154 338 HH TYR 556 HH TYR 556 -7.996 14.079 -0.240 339 H THR 557 H THR 557 -12.689 10.853 -2.568 340 HA THR 557 HA THR 557 -11.239 12.913 -4.056 341 HB THR 557 HB THR 557 -12.413 12.319 -5.956 342 HG1 THR 557 HG1 THR 557 -14.023 13.794 -6.187 343 1HG2 THR 557 3HG2 THR 557 -13.596 10.455 -4.700 344 2HG2 THR 557 2HG2 THR 557 -14.853 11.628 -4.306 345 3HG2 THR 557 1HG2 THR 557 -14.535 11.207 -5.989 346 H SER 558 H SER 558 -14.488 12.305 -2.603 347 HA SER 558 HA SER 558 -13.973 14.618 -0.820 348 1HB SER 558 2HB SER 558 -15.189 15.290 -3.029 349 2HB SER 558 1HB SER 558 -16.589 14.508 -2.300 350 HG SER 558 HG SER 558 -16.518 16.708 -1.754 351 H SER 559 H SER 559 -16.502 12.236 -1.750 352 HA SER 559 HA SER 559 -17.703 12.246 0.874 353 1HB SER 559 2HB SER 559 -18.051 10.794 -1.650 354 2HB SER 559 1HB SER 559 -18.348 9.793 -0.232 355 HG SER 559 HG SER 559 -20.246 10.796 -0.569 356 H ASP 560 H ASP 560 -16.375 9.318 -0.587 357 HA ASP 560 HA ASP 560 -15.066 8.728 2.032 358 1HB ASP 560 2HB ASP 560 -16.298 7.033 -0.111 359 2HB ASP 560 1HB ASP 560 -14.985 6.350 0.849 360 HA PRO 561 HA PRO 561 -11.483 9.513 -0.585 361 1HB PRO 561 2HB PRO 561 -9.850 10.190 1.500 362 2HB PRO 561 1HB PRO 561 -10.934 11.336 0.687 363 1HG PRO 561 2HG PRO 561 -11.166 10.089 3.356 364 2HG PRO 561 1HG PRO 561 -11.905 11.578 2.737 365 1HD PRO 561 2HD PRO 561 -13.198 9.039 3.049 366 2HD PRO 561 1HD PRO 561 -13.862 10.474 2.239 367 H LEU 562 H LEU 562 -11.128 7.221 -1.037 368 HA LEU 562 HA LEU 562 -9.203 6.089 0.901 369 1HB LEU 562 2HB LEU 562 -9.862 3.776 -0.053 370 2HB LEU 562 1HB LEU 562 -10.887 4.502 1.172 371 HG LEU 562 HG LEU 562 -12.257 3.530 -0.536 372 1HD1 LEU 562 3HD1 LEU 562 -12.520 6.155 0.245 373 2HD1 LEU 562 2HD1 LEU 562 -12.597 6.269 -1.515 374 3HD1 LEU 562 1HD1 LEU 562 -13.723 5.229 -0.650 375 1HD2 LEU 562 3HD2 LEU 562 -10.234 3.818 -2.186 376 2HD2 LEU 562 2HD2 LEU 562 -11.897 3.717 -2.785 377 3HD2 LEU 562 1HD2 LEU 562 -11.111 5.287 -2.656 378 H TRP 563 H TRP 563 -7.205 5.951 0.044 379 HA TRP 563 HA TRP 563 -6.762 6.601 -2.730 380 1HB TRP 563 2HB TRP 563 -4.981 5.570 -0.597 381 2HB TRP 563 1HB TRP 563 -4.440 5.591 -2.230 382 HD1 TRP 563 HD1 TRP 563 -5.956 8.300 0.244 383 HE1 TRP 563 HE1 TRP 563 -4.738 10.479 -0.355 384 HE3 TRP 563 HE3 TRP 563 -3.171 6.676 -3.643 385 HZ2 TRP 563 HZ2 TRP 563 -2.879 11.445 -2.346 386 HZ3 TRP 563 HZ3 TRP 563 -1.705 8.231 -4.886 387 HH2 TRP 563 HH2 TRP 563 -1.582 10.552 -4.280 388 H TYR 564 H TYR 564 -5.001 4.731 -3.766 389 HA TYR 564 HA TYR 564 -6.303 2.101 -3.414 390 1HB TYR 564 2HB TYR 564 -7.185 4.090 -5.190 391 2HB TYR 564 1HB TYR 564 -6.499 2.771 -6.141 392 HD1 TYR 564 HD2 TYR 564 -7.137 0.365 -5.221 393 HD2 TYR 564 HD1 TYR 564 -9.294 4.018 -4.652 394 HE1 TYR 564 HE2 TYR 564 -9.246 -0.918 -4.829 395 HE2 TYR 564 HE1 TYR 564 -11.348 2.799 -4.284 396 HH TYR 564 HH TYR 564 -12.280 0.755 -3.961 397 H VAL 565 H VAL 565 -4.920 0.544 -3.902 398 HA VAL 565 HA VAL 565 -3.420 0.610 -6.324 399 HB VAL 565 HB VAL 565 -1.937 1.146 -3.786 400 1HG1 VAL 565 2HG1 VAL 565 -1.119 -0.691 -5.942 401 2HG1 VAL 565 1HG1 VAL 565 0.030 0.603 -5.603 402 3HG1 VAL 565 3HG1 VAL 565 -0.455 -0.503 -4.319 403 1HG2 VAL 565 1HG2 VAL 565 -2.238 2.170 -6.528 404 2HG2 VAL 565 3HG2 VAL 565 -2.155 3.030 -4.994 405 3HG2 VAL 565 2HG2 VAL 565 -0.678 2.384 -5.732 406 H THR 566 H THR 566 -3.075 -1.390 -7.044 407 HA THR 566 HA THR 566 -3.331 -3.536 -5.008 408 HB THR 566 HB THR 566 -4.909 -3.320 -7.162 409 HG1 THR 566 HG1 THR 566 -4.781 -4.989 -5.492 410 1HG2 THR 566 3HG2 THR 566 -2.961 -3.392 -8.726 411 2HG2 THR 566 2HG2 THR 566 -2.608 -5.017 -8.142 412 3HG2 THR 566 1HG2 THR 566 -4.116 -4.698 -9.002 413 H VAL 567 H VAL 567 -1.303 -4.020 -4.390 414 HA VAL 567 HA VAL 567 0.849 -4.147 -6.427 415 HB VAL 567 HB VAL 567 0.911 -4.001 -3.403 416 1HG1 VAL 567 2HG1 VAL 567 2.731 -5.440 -5.110 417 2HG1 VAL 567 1HG1 VAL 567 3.553 -4.006 -4.490 418 3HG1 VAL 567 3HG1 VAL 567 2.846 -5.169 -3.370 419 1HG2 VAL 567 1HG2 VAL 567 1.186 -2.136 -5.557 420 2HG2 VAL 567 3HG2 VAL 567 1.327 -1.823 -3.826 421 3HG2 VAL 567 2HG2 VAL 567 2.751 -2.284 -4.760 422 H THR 568 H THR 568 1.479 -6.143 -7.097 423 HA THR 568 HA THR 568 0.090 -8.468 -6.311 424 HB THR 568 HB THR 568 2.375 -9.518 -7.267 425 HG1 THR 568 HG1 THR 568 2.881 -7.781 -8.944 426 1HG2 THR 568 1HG2 THR 568 0.169 -8.125 -8.793 427 2HG2 THR 568 3HG2 THR 568 1.350 -9.194 -9.552 428 3HG2 THR 568 2HG2 THR 568 0.244 -9.828 -8.331 429 H LEU 569 H LEU 569 0.636 -10.201 -5.056 430 HA LEU 569 HA LEU 569 3.038 -10.224 -3.385 431 1HB LEU 569 2HB LEU 569 0.273 -9.773 -2.201 432 2HB LEU 569 1HB LEU 569 1.650 -10.339 -1.254 433 HG LEU 569 HG LEU 569 1.549 -7.738 -2.823 434 1HD1 LEU 569 3HD1 LEU 569 0.861 -8.463 -0.042 435 2HD1 LEU 569 2HD1 LEU 569 1.973 -7.090 -0.184 436 3HD1 LEU 569 1HD1 LEU 569 0.397 -7.043 -0.985 437 1HD2 LEU 569 1HD2 LEU 569 3.707 -9.300 -1.590 438 2HD2 LEU 569 3HD2 LEU 569 3.802 -7.975 -2.750 439 3HD2 LEU 569 2HD2 LEU 569 3.646 -7.629 -1.029 440 HA PRO 570 HA PRO 570 1.169 -14.240 -4.597 441 1HB PRO 570 2HB PRO 570 3.357 -15.144 -5.982 442 2HB PRO 570 1HB PRO 570 2.089 -14.144 -6.710 443 1HG PRO 570 2HG PRO 570 4.859 -13.384 -5.950 444 2HG PRO 570 1HG PRO 570 3.775 -12.632 -7.131 445 1HD PRO 570 2HD PRO 570 4.329 -11.708 -4.481 446 2HD PRO 570 1HD PRO 570 3.117 -11.059 -5.608 447 H ALA 571 H ALA 571 2.554 -16.487 -4.627 448 HA ALA 571 HA ALA 571 3.683 -18.085 -3.359 449 1HB ALA 571 1HB ALA 571 5.507 -16.244 -3.510 450 2HB ALA 571 3HB ALA 571 5.046 -15.863 -1.851 451 3HB ALA 571 2HB ALA 571 5.666 -17.465 -2.248 452 H GLY 572 H GLY 572 1.389 -16.121 -2.284 453 1HA GLY 572 2HA GLY 572 0.022 -16.078 -0.374 454 2HA GLY 572 1HA GLY 572 0.641 -17.698 -0.044 455 H GLU 573 H GLU 573 0.246 -15.078 1.686 456 HA GLU 573 HA GLU 573 2.361 -15.601 3.501 457 1HB GLU 573 2HB GLU 573 3.283 -14.350 1.177 458 2HB GLU 573 1HB GLU 573 3.246 -13.082 2.401 459 1HG GLU 573 2HG GLU 573 5.222 -13.914 3.121 460 2HG GLU 573 1HG GLU 573 4.286 -15.258 3.778 461 H SER 574 H SER 574 2.271 -14.351 5.349 462 HA SER 574 HA SER 574 0.041 -12.411 5.527 463 1HB SER 574 2HB SER 574 0.099 -13.833 7.426 464 2HB SER 574 1HB SER 574 1.856 -13.767 7.529 465 HG SER 574 HG SER 574 0.382 -11.395 7.756 466 H PHE 575 H PHE 575 1.805 -11.470 3.845 467 HA PHE 575 HA PHE 575 4.143 -10.226 4.375 468 1HB PHE 575 2HB PHE 575 1.802 -8.937 2.948 469 2HB PHE 575 1HB PHE 575 3.499 -8.486 2.766 470 HD1 PHE 575 HD1 PHE 575 5.080 -9.934 1.641 471 HD2 PHE 575 HD2 PHE 575 0.939 -11.071 1.992 472 HE1 PHE 575 HE1 PHE 575 5.416 -11.688 -0.074 473 HE2 PHE 575 HE2 PHE 575 1.301 -12.825 0.284 474 HZ PHE 575 HZ PHE 575 3.524 -13.132 -0.755 475 H GLU 576 H GLU 576 4.570 -7.851 4.719 476 HA GLU 576 HA GLU 576 2.783 -6.561 6.703 477 1HB GLU 576 2HB GLU 576 5.225 -7.898 7.389 478 2HB GLU 576 1HB GLU 576 5.465 -6.159 7.576 479 1HG GLU 576 2HG GLU 576 3.217 -6.153 8.823 480 2HG GLU 576 1HG GLU 576 3.387 -7.907 8.897 481 H TYR 577 H TYR 577 2.543 -4.485 5.986 482 HA TYR 577 HA TYR 577 4.870 -2.992 5.090 483 1HB TYR 577 2HB TYR 577 3.807 -2.422 2.841 484 2HB TYR 577 1HB TYR 577 4.545 -4.011 2.994 485 HD1 TYR 577 HD2 TYR 577 1.447 -3.756 4.835 486 HD2 TYR 577 HD1 TYR 577 3.084 -4.462 0.925 487 HE1 TYR 577 HE2 TYR 577 -0.667 -4.815 4.134 488 HE2 TYR 577 HE1 TYR 577 0.979 -5.478 0.226 489 HH TYR 577 HH TYR 577 -1.033 -6.183 0.860 490 H LYS 578 H LYS 578 4.162 -0.719 4.291 491 HA LYS 578 HA LYS 578 1.558 0.124 5.381 492 1HB LYS 578 2HB LYS 578 3.528 0.082 7.190 493 2HB LYS 578 1HB LYS 578 3.875 1.647 6.448 494 1HG LYS 578 2HG LYS 578 2.185 2.574 7.603 495 2HG LYS 578 1HG LYS 578 1.054 1.480 6.807 496 1HD LYS 578 2HD LYS 578 1.764 -0.272 8.530 497 2HD LYS 578 1HD LYS 578 2.534 1.052 9.405 498 1HE LYS 578 2HE LYS 578 -0.395 0.912 8.632 499 2HE LYS 578 1HE LYS 578 0.254 0.666 10.253 500 1HZ LYS 578 3HZ LYS 578 1.334 3.007 9.679 501 2HZ LYS 578 2HZ LYS 578 -0.072 3.127 8.732 502 3HZ LYS 578 1HZ LYS 578 -0.191 2.857 10.405 503 H PHE 579 H PHE 579 1.714 2.736 5.416 504 HA PHE 579 HA PHE 579 2.252 3.427 2.609 505 1HB PHE 579 2HB PHE 579 0.599 5.022 2.874 506 2HB PHE 579 1HB PHE 579 0.132 3.912 4.144 507 HD1 PHE 579 HD2 PHE 579 1.932 7.086 3.456 508 HD2 PHE 579 HD1 PHE 579 0.265 4.500 6.456 509 HE1 PHE 579 HE2 PHE 579 2.222 8.870 5.155 510 HE2 PHE 579 HE1 PHE 579 0.555 6.285 8.154 511 HZ PHE 579 HZ PHE 579 1.534 8.469 7.503 512 H ILE 580 H ILE 580 2.987 5.774 2.274 513 HA ILE 580 HA ILE 580 5.137 6.708 4.152 514 HB ILE 580 HB ILE 580 6.288 7.046 1.683 515 1HG1 ILE 580 2HG1 ILE 580 5.200 4.228 1.742 516 2HG1 ILE 580 1HG1 ILE 580 4.520 5.510 0.730 517 1HG2 ILE 580 2HG2 ILE 580 6.940 5.850 4.058 518 2HG2 ILE 580 1HG2 ILE 580 7.083 4.524 2.908 519 3HG2 ILE 580 3HG2 ILE 580 7.986 6.020 2.641 520 1HD1 ILE 580 2HD1 ILE 580 7.393 4.569 0.670 521 2HD1 ILE 580 1HD1 ILE 580 6.164 4.153 -0.523 522 3HD1 ILE 580 3HD1 ILE 580 6.698 5.825 -0.349 523 H ARG 581 H ARG 581 5.359 8.964 3.989 524 HA ARG 581 HA ARG 581 3.329 10.435 2.412 525 1HB ARG 581 2HB ARG 581 3.579 11.211 4.680 526 2HB ARG 581 1HB ARG 581 5.336 11.230 4.539 527 1HG ARG 581 2HG ARG 581 5.361 13.179 3.284 528 2HG ARG 581 1HG ARG 581 3.734 12.916 2.653 529 1HD ARG 581 2HD ARG 581 3.061 13.179 5.204 530 2HD ARG 581 1HD ARG 581 4.585 14.063 5.286 531 HE ARG 581 HE ARG 581 2.210 14.862 3.692 532 1HH1 ARG 581 1HH2 ARG 581 4.189 15.829 1.979 533 2HH1 ARG 581 2HH2 ARG 581 4.791 17.280 2.708 534 1HH2 ARG 581 2HH1 ARG 581 3.522 16.544 5.850 535 2HH2 ARG 581 1HH1 ARG 581 4.413 17.686 4.899 536 H ILE 582 H ILE 582 4.192 10.294 0.237 537 HA ILE 582 HA ILE 582 7.009 11.138 -0.050 538 HB ILE 582 HB ILE 582 5.076 9.985 -2.071 539 1HG1 ILE 582 2HG1 ILE 582 6.559 7.986 -1.867 540 2HG1 ILE 582 1HG1 ILE 582 7.462 8.801 -0.593 541 1HG2 ILE 582 1HG2 ILE 582 6.941 11.561 -2.927 542 2HG2 ILE 582 3HG2 ILE 582 8.068 10.302 -2.414 543 3HG2 ILE 582 2HG2 ILE 582 6.842 9.949 -3.637 544 1HD1 ILE 582 3HD1 ILE 582 4.496 8.581 -0.326 545 2HD1 ILE 582 2HD1 ILE 582 5.487 7.171 0.029 546 3HD1 ILE 582 1HD1 ILE 582 5.730 8.663 0.928 547 H GLU 583 H GLU 583 7.542 13.097 -0.528 548 HA GLU 583 HA GLU 583 5.599 15.158 -1.190 549 1HB GLU 583 2HB GLU 583 8.422 14.952 -0.393 550 2HB GLU 583 1HB GLU 583 8.118 16.253 -1.537 551 1HG GLU 583 2HG GLU 583 5.992 16.440 0.255 552 2HG GLU 583 1HG GLU 583 7.368 16.032 1.282 553 H SER 584 H SER 584 6.732 16.765 -3.040 554 HA SER 584 HA SER 584 6.178 15.543 -5.522 555 1HB SER 584 2HB SER 584 7.626 18.019 -4.693 556 2HB SER 584 1HB SER 584 7.827 17.471 -6.355 557 HG SER 584 HG SER 584 5.258 17.569 -5.232 558 H ASP 585 H ASP 585 8.886 15.392 -3.504 559 HA ASP 585 HA ASP 585 10.476 13.998 -5.604 560 1HB ASP 585 2HB ASP 585 12.353 14.409 -3.805 561 2HB ASP 585 1HB ASP 585 11.861 15.732 -4.863 562 H ASP 586 H ASP 586 12.163 12.570 -3.997 563 HA ASP 586 HA ASP 586 10.393 10.486 -2.987 564 1HB ASP 586 2HB ASP 586 12.650 9.300 -2.610 565 2HB ASP 586 1HB ASP 586 12.183 9.641 -4.277 566 H SER 587 H SER 587 11.113 13.190 -1.478 567 HA SER 587 HA SER 587 12.306 12.094 0.990 568 1HB SER 587 2HB SER 587 10.888 14.737 0.484 569 2HB SER 587 1HB SER 587 11.744 14.308 1.963 570 HG SER 587 HG SER 587 13.593 13.935 0.484 571 H VAL 588 H VAL 588 10.997 11.201 2.718 572 HA VAL 588 HA VAL 588 8.126 11.785 2.494 573 HB VAL 588 HB VAL 588 7.394 9.694 1.797 574 1HG1 VAL 588 3HG1 VAL 588 10.177 9.957 0.721 575 2HG1 VAL 588 2HG1 VAL 588 9.074 8.683 0.221 576 3HG1 VAL 588 1HG1 VAL 588 8.662 10.376 -0.077 577 1HG2 VAL 588 1HG2 VAL 588 9.808 8.665 3.199 578 2HG2 VAL 588 3HG2 VAL 588 8.118 8.193 3.356 579 3HG2 VAL 588 2HG2 VAL 588 9.027 7.699 1.939 580 H GLU 589 H GLU 589 6.902 10.094 3.892 581 HA GLU 589 HA GLU 589 8.218 9.797 6.555 582 1HB GLU 589 2HB GLU 589 5.266 10.391 6.151 583 2HB GLU 589 1HB GLU 589 6.148 10.351 7.675 584 1HG GLU 589 2HG GLU 589 7.538 12.272 6.860 585 2HG GLU 589 1HG GLU 589 6.489 12.374 5.445 586 H TRP 590 H TRP 590 7.010 8.009 7.809 587 HA TRP 590 HA TRP 590 6.196 6.014 5.775 588 1HB TRP 590 2HB TRP 590 8.548 6.287 7.506 589 2HB TRP 590 1HB TRP 590 7.878 4.709 7.330 590 HD1 TRP 590 HD1 TRP 590 8.855 7.586 4.958 591 HE1 TRP 590 HE1 TRP 590 10.107 6.546 2.964 592 HE3 TRP 590 HE3 TRP 590 8.325 2.678 6.114 593 HZ2 TRP 590 HZ2 TRP 590 10.784 3.919 1.978 594 HZ3 TRP 590 HZ3 TRP 590 9.278 0.915 4.652 595 HH2 TRP 590 HH2 TRP 590 10.492 1.529 2.576 596 H GLU 591 H GLU 591 5.930 3.908 6.786 597 HA GLU 591 HA GLU 591 3.765 3.327 8.245 598 1HB GLU 591 2HB GLU 591 5.230 1.525 9.444 599 2HB GLU 591 1HB GLU 591 5.130 1.436 7.707 600 1HG GLU 591 2HG GLU 591 7.223 2.862 7.611 601 2HG GLU 591 1HG GLU 591 7.358 2.622 9.353 602 H SER 592 H SER 592 3.047 3.442 10.397 603 HA SER 592 HA SER 592 4.566 5.093 12.270 604 1HB SER 592 2HB SER 592 1.948 4.505 12.212 605 2HB SER 592 1HB SER 592 2.470 3.129 13.178 606 HG SER 592 HG SER 592 3.664 4.895 14.396 607 H ASP 593 H ASP 593 4.125 2.913 14.462 608 HA ASP 593 HA ASP 593 6.570 1.456 13.664 609 1HB ASP 593 2HB ASP 593 5.165 1.900 16.255 610 2HB ASP 593 1HB ASP 593 6.076 0.401 16.055 611 HA PRO 594 HA PRO 594 3.610 -2.162 14.311 612 1HB PRO 594 2HB PRO 594 0.945 -1.623 14.579 613 2HB PRO 594 1HB PRO 594 2.051 -1.808 15.948 614 1HG PRO 594 2HG PRO 594 0.841 0.680 14.840 615 2HG PRO 594 1HG PRO 594 1.432 0.357 16.478 616 1HD PRO 594 2HD PRO 594 2.792 1.816 14.472 617 2HD PRO 594 1HD PRO 594 3.498 1.229 15.992 618 H ASN 595 H ASN 595 4.239 -2.113 12.127 619 HA ASN 595 HA ASN 595 2.691 -0.859 10.043 620 1HB ASN 595 2HB ASN 595 4.263 -3.369 9.518 621 2HB ASN 595 1HB ASN 595 4.063 -1.953 8.494 622 1HD2 ASN 595 2HD2 ASN 595 7.479 -1.708 9.899 623 2HD2 ASN 595 1HD2 ASN 595 6.660 -2.733 8.821 624 H ARG 596 H ARG 596 1.426 -2.100 8.368 625 HA ARG 596 HA ARG 596 -0.414 -3.940 9.762 626 1HB ARG 596 2HB ARG 596 -0.502 -2.295 7.269 627 2HB ARG 596 1HB ARG 596 -1.520 -3.735 7.341 628 1HG ARG 596 2HG ARG 596 -2.410 -2.918 9.546 629 2HG ARG 596 1HG ARG 596 -1.507 -1.423 9.300 630 1HD ARG 596 2HD ARG 596 -2.974 -0.648 7.746 631 2HD ARG 596 1HD ARG 596 -3.159 -2.234 6.996 632 HE ARG 596 HE ARG 596 -4.972 -2.686 8.482 633 1HH1 ARG 596 1HH2 ARG 596 -3.416 -1.293 10.813 634 2HH1 ARG 596 2HH2 ARG 596 -4.554 -0.054 11.224 635 1HH2 ARG 596 2HH1 ARG 596 -6.410 -0.426 8.318 636 2HH2 ARG 596 1HH1 ARG 596 -6.250 0.436 9.812 637 H GLU 597 H GLU 597 -1.277 -5.754 8.153 638 HA GLU 597 HA GLU 597 0.970 -6.963 6.649 639 1HB GLU 597 2HB GLU 597 0.659 -9.129 7.799 640 2HB GLU 597 1HB GLU 597 1.160 -7.872 8.932 641 1HG GLU 597 2HG GLU 597 -1.429 -7.522 9.246 642 2HG GLU 597 1HG GLU 597 -1.532 -9.164 8.608 643 H TYR 598 H TYR 598 0.165 -8.952 5.453 644 HA TYR 598 HA TYR 598 -2.739 -8.985 4.984 645 1HB TYR 598 2HB TYR 598 -1.889 -7.307 3.369 646 2HB TYR 598 1HB TYR 598 -0.804 -8.533 2.741 647 HD1 TYR 598 HD2 TYR 598 -4.467 -8.155 3.556 648 HD2 TYR 598 HD1 TYR 598 -1.472 -9.839 0.957 649 HE1 TYR 598 HE2 TYR 598 -6.233 -9.188 2.185 650 HE2 TYR 598 HE1 TYR 598 -3.262 -10.872 -0.410 651 HH TYR 598 HH TYR 598 -6.488 -11.095 0.654 652 H THR 599 H THR 599 -3.437 -11.037 4.453 653 HA THR 599 HA THR 599 -1.287 -13.064 4.121 654 HB THR 599 HB THR 599 -3.444 -14.590 4.516 655 HG1 THR 599 HG1 THR 599 -4.025 -12.327 6.087 656 1HG2 THR 599 2HG2 THR 599 -1.221 -13.857 5.915 657 2HG2 THR 599 1HG2 THR 599 -2.502 -13.324 7.007 658 3HG2 THR 599 3HG2 THR 599 -2.423 -15.012 6.498 659 H VAL 600 H VAL 600 -0.924 -13.692 2.110 660 HA VAL 600 HA VAL 600 -2.943 -13.256 0.029 661 HB VAL 600 HB VAL 600 -0.030 -13.994 0.028 662 1HG1 VAL 600 2HG1 VAL 600 -1.830 -15.091 -1.826 663 2HG1 VAL 600 1HG1 VAL 600 -1.132 -13.702 -2.651 664 3HG1 VAL 600 3HG1 VAL 600 -0.088 -14.964 -2.004 665 1HG2 VAL 600 3HG2 VAL 600 -1.271 -11.606 -0.015 666 2HG2 VAL 600 2HG2 VAL 600 0.265 -11.893 -0.834 667 3HG2 VAL 600 1HG2 VAL 600 -1.248 -11.945 -1.750 668 HA PRO 601 HA PRO 601 -4.094 -17.567 0.486 669 1HB PRO 601 2HB PRO 601 -6.160 -17.446 -1.328 670 2HB PRO 601 1HB PRO 601 -6.306 -16.896 0.350 671 1HG PRO 601 2HG PRO 601 -6.036 -15.274 -2.146 672 2HG PRO 601 1HG PRO 601 -6.843 -14.864 -0.622 673 1HD PRO 601 2HD PRO 601 -4.303 -13.936 -1.403 674 2HD PRO 601 1HD PRO 601 -4.942 -13.912 0.252 675 H GLN 602 H GLN 602 -5.108 -18.893 -1.858 676 HA GLN 602 HA GLN 602 -3.070 -18.445 -3.954 677 1HB GLN 602 2HB GLN 602 -3.327 -21.001 -2.353 678 2HB GLN 602 1HB GLN 602 -2.526 -20.929 -3.923 679 1HG GLN 602 2HG GLN 602 -0.660 -20.394 -2.761 680 2HG GLN 602 1HG GLN 602 -1.395 -18.801 -2.575 681 1HE2 GLN 602 1HE2 GLN 602 -0.273 -21.545 -0.847 682 2HE2 GLN 602 2HE2 GLN 602 -0.926 -21.143 0.668 683 H ALA 603 H ALA 603 -5.618 -17.845 -4.392 684 HA ALA 603 HA ALA 603 -6.894 -20.235 -5.633 685 1HB ALA 603 1HB ALA 603 -7.984 -18.261 -4.050 686 2HB ALA 603 3HB ALA 603 -8.387 -17.701 -5.673 687 3HB ALA 603 2HB ALA 603 -8.902 -19.300 -5.138 688 H CYS 604 H CYS 604 -7.890 -19.862 -7.816 689 HA CYS 604 HA CYS 604 -6.024 -18.275 -9.489 690 1HB CYS 604 2HB CYS 604 -6.954 -20.783 -9.848 691 2HB CYS 604 1HB CYS 604 -8.190 -19.890 -10.734 692 H GLY 605 H GLY 605 -9.522 -18.929 -9.843 693 1HA GLY 605 2HA GLY 605 -10.194 -16.638 -11.272 694 2HA GLY 605 1HA GLY 605 -11.306 -17.420 -10.146 695 H THR 606 H THR 606 -10.774 -16.876 -7.742 696 HA THR 606 HA THR 606 -10.709 -13.945 -7.542 697 HB THR 606 HB THR 606 -12.338 -15.134 -6.186 698 HG1 THR 606 HG1 THR 606 -10.463 -14.505 -4.241 699 1HG2 THR 606 3HG2 THR 606 -10.264 -17.027 -5.939 700 2HG2 THR 606 2HG2 THR 606 -10.560 -16.422 -4.308 701 3HG2 THR 606 1HG2 THR 606 -11.881 -17.123 -5.242 702 H SER 607 H SER 607 -8.383 -13.902 -8.303 703 HA SER 607 HA SER 607 -6.449 -14.714 -6.192 704 1HB SER 607 2HB SER 607 -4.955 -13.648 -8.240 705 2HB SER 607 1HB SER 607 -5.347 -15.356 -8.069 706 HG SER 607 HG SER 607 -6.073 -14.837 -10.054 707 H THR 608 H THR 608 -8.339 -12.329 -6.114 708 HA THR 608 HA THR 608 -6.451 -10.057 -6.216 709 HB THR 608 HB THR 608 -8.547 -8.801 -5.389 710 HG1 THR 608 HG1 THR 608 -9.585 -10.734 -4.658 711 1HG2 THR 608 1HG2 THR 608 -7.757 -9.751 -7.950 712 2HG2 THR 608 3HG2 THR 608 -9.516 -9.848 -7.874 713 3HG2 THR 608 2HG2 THR 608 -8.703 -8.311 -7.574 714 H ALA 609 H ALA 609 -6.685 -8.524 -4.184 715 HA ALA 609 HA ALA 609 -6.938 -10.039 -1.661 716 1HB ALA 609 2HB ALA 609 -4.365 -9.200 -2.846 717 2HB ALA 609 1HB ALA 609 -4.582 -8.765 -1.152 718 3HB ALA 609 3HB ALA 609 -4.701 -10.447 -1.657 719 H THR 610 H THR 610 -5.966 -8.195 0.102 720 HA THR 610 HA THR 610 -6.965 -5.522 -0.608 721 HB THR 610 HB THR 610 -8.246 -6.951 1.707 722 HG1 THR 610 HG1 THR 610 -9.548 -6.635 -0.761 723 1HG2 THR 610 2HG2 THR 610 -8.523 -4.357 0.282 724 2HG2 THR 610 1HG2 THR 610 -10.036 -5.134 0.747 725 3HG2 THR 610 3HG2 THR 610 -8.829 -4.753 1.974 726 H VAL 611 H VAL 611 -6.753 -4.017 1.180 727 HA VAL 611 HA VAL 611 -5.560 -4.580 3.678 728 HB VAL 611 HB VAL 611 -3.653 -4.157 1.416 729 1HG1 VAL 611 2HG1 VAL 611 -3.460 -2.064 2.798 730 2HG1 VAL 611 1HG1 VAL 611 -3.133 -3.074 4.206 731 3HG1 VAL 611 3HG1 VAL 611 -2.007 -3.063 2.849 732 1HG2 VAL 611 2HG2 VAL 611 -3.988 -5.797 3.863 733 2HG2 VAL 611 1HG2 VAL 611 -3.277 -6.235 2.313 734 3HG2 VAL 611 3HG2 VAL 611 -2.330 -5.332 3.490 735 H THR 612 H THR 612 -6.643 -2.980 4.673 736 HA THR 612 HA THR 612 -7.253 -0.464 3.326 737 HB THR 612 HB THR 612 -7.610 -0.718 6.267 738 HG1 THR 612 HG1 THR 612 -9.381 -2.126 5.912 739 1HG2 THR 612 1HG2 THR 612 -8.594 0.877 4.204 740 2HG2 THR 612 3HG2 THR 612 -9.930 -0.211 4.581 741 3HG2 THR 612 2HG2 THR 612 -9.228 0.795 5.848 742 H ASP 613 H ASP 613 -5.450 0.721 2.950 743 HA ASP 613 HA ASP 613 -3.462 1.172 5.088 744 1HB ASP 613 2HB ASP 613 -3.760 2.160 2.241 745 2HB ASP 613 1HB ASP 613 -2.509 2.761 3.333 746 H THR 614 H THR 614 -3.527 3.002 6.382 747 HA THR 614 HA THR 614 -5.714 4.937 5.739 748 HB THR 614 HB THR 614 -4.601 4.139 8.441 749 HG1 THR 614 HG1 THR 614 -6.121 2.700 7.690 750 1HG2 THR 614 1HG2 THR 614 -5.704 6.604 7.546 751 2HG2 THR 614 3HG2 THR 614 -6.918 5.816 8.557 752 3HG2 THR 614 2HG2 THR 614 -5.306 6.131 9.202 753 H TRP 615 H TRP 615 -5.161 7.115 5.640 754 HA TRP 615 HA TRP 615 -2.280 7.654 6.203 755 1HB TRP 615 2HB TRP 615 -2.520 7.889 3.894 756 2HB TRP 615 1HB TRP 615 -4.087 8.650 4.045 757 HD1 TRP 615 HD1 TRP 615 -4.071 11.207 5.073 758 HE1 TRP 615 HE1 TRP 615 -2.281 13.047 4.760 759 HE3 TRP 615 HE3 TRP 615 -0.200 8.319 3.559 760 HZ2 TRP 615 HZ2 TRP 615 0.471 13.237 3.953 761 HZ3 TRP 615 HZ3 TRP 615 2.007 9.326 3.022 762 HH2 TRP 615 HH2 TRP 615 2.331 11.785 3.204 763 H ARG 616 H ARG 616 -5.578 8.851 6.497 764 HA ARG 616 HA ARG 616 -4.880 11.398 7.661 765 1HB ARG 616 2HB ARG 616 -7.082 11.159 6.735 766 2HB ARG 616 1HB ARG 616 -7.412 9.739 7.728 767 1HG ARG 616 2HG ARG 616 -7.268 11.127 9.765 768 2HG ARG 616 1HG ARG 616 -6.949 12.550 8.771 769 1HD ARG 616 2HD ARG 616 -9.145 12.832 8.367 770 2HD ARG 616 1HD ARG 616 -9.301 11.166 7.809 771 HE ARG 616 HE ARG 616 -9.204 11.503 10.731 772 1HH1 ARG 616 1HH1 ARG 616 -11.223 11.754 7.974 773 2HH1 ARG 616 2HH1 ARG 616 -12.583 10.987 8.723 774 1HH2 ARG 616 1HH2 ARG 616 -10.894 10.271 11.666 775 2HH2 ARG 616 2HH2 ARG 616 -12.397 10.147 10.813 No H/Q in entry = 775 Start of MODEL 3 1 1H CYS 509 3H CYS 509 0.850 -23.150 -10.388 2 2H CYS 509 2H CYS 509 -0.711 -22.720 -9.874 3 3H CYS 509 1H CYS 509 -0.249 -24.354 -9.920 4 HA CYS 509 HA CYS 509 -0.456 -24.522 -12.170 5 1HB CYS 509 2HB CYS 509 -2.307 -22.173 -11.854 6 2HB CYS 509 1HB CYS 509 -2.574 -23.687 -12.716 7 H THR 510 H THR 510 -0.856 -20.989 -11.799 8 HA THR 510 HA THR 510 0.861 -20.633 -14.197 9 HB THR 510 HB THR 510 -0.592 -18.410 -12.776 10 HG1 THR 510 HG1 THR 510 -2.419 -18.955 -13.984 11 1HG2 THR 510 1HG2 THR 510 1.023 -18.149 -14.777 12 2HG2 THR 510 3HG2 THR 510 -0.257 -18.893 -15.734 13 3HG2 THR 510 2HG2 THR 510 -0.554 -17.370 -14.896 14 H THR 511 H THR 511 1.197 -17.741 -12.941 15 HA THR 511 HA THR 511 3.868 -18.073 -12.059 16 HB THR 511 HB THR 511 2.373 -15.965 -12.775 17 HG1 THR 511 HG1 THR 511 4.757 -16.287 -12.017 18 1HG2 THR 511 2HG2 THR 511 2.252 -15.976 -9.757 19 2HG2 THR 511 1HG2 THR 511 2.042 -14.517 -10.721 20 3HG2 THR 511 3HG2 THR 511 0.913 -15.858 -10.895 21 HA PRO 512 HA PRO 512 3.441 -19.177 -7.859 22 1HB PRO 512 2HB PRO 512 4.325 -17.130 -6.228 23 2HB PRO 512 1HB PRO 512 5.399 -18.229 -7.115 24 1HG PRO 512 2HG PRO 512 4.699 -15.394 -7.720 25 2HG PRO 512 1HG PRO 512 6.166 -16.300 -8.126 26 1HD PRO 512 2HD PRO 512 4.075 -15.712 -9.885 27 2HD PRO 512 1HD PRO 512 5.318 -16.947 -10.166 28 H THR 513 H THR 513 1.540 -19.470 -7.026 29 HA THR 513 HA THR 513 -0.782 -18.186 -7.314 30 HB THR 513 HB THR 513 -1.614 -19.334 -5.385 31 HG1 THR 513 HG1 THR 513 1.008 -18.946 -4.517 32 1HG2 THR 513 2HG2 THR 513 0.048 -20.513 -7.322 33 2HG2 THR 513 1HG2 THR 513 0.527 -21.252 -5.791 34 3HG2 THR 513 3HG2 THR 513 -1.154 -21.336 -6.320 35 H ALA 514 H ALA 514 -0.278 -16.069 -7.454 36 HA ALA 514 HA ALA 514 0.218 -14.556 -4.944 37 1HB ALA 514 2HB ALA 514 1.291 -14.293 -7.464 38 2HB ALA 514 1HB ALA 514 0.022 -13.069 -7.482 39 3HB ALA 514 3HB ALA 514 1.281 -13.012 -6.248 40 H VAL 515 H VAL 515 -1.032 -12.675 -4.467 41 HA VAL 515 HA VAL 515 -3.714 -12.638 -5.720 42 HB VAL 515 HB VAL 515 -3.186 -12.394 -2.755 43 1HG1 VAL 515 3HG1 VAL 515 -5.129 -11.093 -3.786 44 2HG1 VAL 515 2HG1 VAL 515 -5.818 -12.653 -4.231 45 3HG1 VAL 515 1HG1 VAL 515 -5.572 -12.252 -2.532 46 1HG2 VAL 515 3HG2 VAL 515 -3.345 -14.695 -4.384 47 2HG2 VAL 515 2HG2 VAL 515 -3.456 -14.637 -2.625 48 3HG2 VAL 515 1HG2 VAL 515 -4.921 -14.560 -3.603 49 H ALA 516 H ALA 516 -4.326 -10.581 -6.332 50 HA ALA 516 HA ALA 516 -2.432 -8.413 -5.844 51 1HB ALA 516 2HB ALA 516 -3.798 -8.752 -7.986 52 2HB ALA 516 1HB ALA 516 -5.175 -8.126 -7.080 53 3HB ALA 516 3HB ALA 516 -3.754 -7.112 -7.334 54 H VAL 517 H VAL 517 -2.464 -7.215 -4.082 55 HA VAL 517 HA VAL 517 -4.985 -7.027 -2.483 56 HB VAL 517 HB VAL 517 -2.269 -6.237 -1.493 57 1HG1 VAL 517 1HG1 VAL 517 -4.923 -6.919 -0.376 58 2HG1 VAL 517 3HG1 VAL 517 -3.540 -7.553 0.516 59 3HG1 VAL 517 2HG1 VAL 517 -3.696 -5.816 0.236 60 1HG2 VAL 517 3HG2 VAL 517 -3.041 -8.866 -2.406 61 2HG2 VAL 517 2HG2 VAL 517 -1.484 -8.311 -1.793 62 3HG2 VAL 517 1HG2 VAL 517 -2.724 -8.866 -0.677 63 H THR 518 H THR 518 -6.004 -5.053 -2.383 64 HA THR 518 HA THR 518 -4.575 -2.740 -3.528 65 HB THR 518 HB THR 518 -7.061 -1.787 -2.831 66 HG1 THR 518 HG1 THR 518 -7.931 -3.690 -2.262 67 1HG2 THR 518 3HG2 THR 518 -5.572 -2.080 -5.095 68 2HG2 THR 518 2HG2 THR 518 -6.923 -3.159 -5.446 69 3HG2 THR 518 1HG2 THR 518 -7.224 -1.456 -5.083 70 H PHE 519 H PHE 519 -3.792 -1.153 -2.458 71 HA PHE 519 HA PHE 519 -3.968 -1.106 0.504 72 1HB PHE 519 2HB PHE 519 -2.236 0.579 -1.310 73 2HB PHE 519 1HB PHE 519 -1.946 0.133 0.367 74 HD1 PHE 519 HD2 PHE 519 -2.920 -2.757 0.013 75 HD2 PHE 519 HD1 PHE 519 -0.141 -0.341 -2.179 76 HE1 PHE 519 HE2 PHE 519 -1.650 -4.788 -0.601 77 HE2 PHE 519 HE1 PHE 519 1.127 -2.378 -2.813 78 HZ PHE 519 HZ PHE 519 0.371 -4.613 -2.023 79 H ASP 520 H ASP 520 -6.207 -0.120 0.441 80 HA ASP 520 HA ASP 520 -6.363 2.529 -0.788 81 1HB ASP 520 2HB ASP 520 -8.751 2.330 0.440 82 2HB ASP 520 1HB ASP 520 -8.449 1.648 -1.161 83 H LEU 521 H LEU 521 -6.440 4.449 0.093 84 HA LEU 521 HA LEU 521 -5.980 4.742 3.002 85 1HB LEU 521 2HB LEU 521 -5.056 6.226 0.729 86 2HB LEU 521 1HB LEU 521 -5.861 7.278 1.862 87 HG LEU 521 HG LEU 521 -4.296 6.997 3.426 88 1HD1 LEU 521 1HD1 LEU 521 -4.232 4.229 2.684 89 2HD1 LEU 521 3HD1 LEU 521 -2.639 4.892 3.089 90 3HD1 LEU 521 2HD1 LEU 521 -3.970 5.036 4.243 91 1HD2 LEU 521 1HD2 LEU 521 -2.869 6.422 0.848 92 2HD2 LEU 521 3HD2 LEU 521 -3.156 7.991 1.609 93 3HD2 LEU 521 2HD2 LEU 521 -2.030 6.844 2.342 94 H THR 522 H THR 522 -7.361 5.549 4.308 95 HA THR 522 HA THR 522 -9.715 6.980 3.159 96 HB THR 522 HB THR 522 -10.106 6.985 5.879 97 HG1 THR 522 HG1 THR 522 -9.607 4.859 6.547 98 1HG2 THR 522 3HG2 THR 522 -11.513 6.253 3.808 99 2HG2 THR 522 2HG2 THR 522 -10.971 4.626 4.239 100 3HG2 THR 522 1HG2 THR 522 -11.902 5.582 5.394 101 H ALA 523 H ALA 523 -8.580 8.845 2.577 102 HA ALA 523 HA ALA 523 -7.720 10.551 4.828 103 1HB ALA 523 1HB ALA 523 -5.891 9.102 3.029 104 2HB ALA 523 3HB ALA 523 -5.574 10.840 3.125 105 3HB ALA 523 2HB ALA 523 -5.580 9.863 4.593 106 H THR 524 H THR 524 -8.917 12.333 4.341 107 HA THR 524 HA THR 524 -9.225 13.192 1.530 108 HB THR 524 HB THR 524 -11.157 13.285 3.124 109 HG1 THR 524 HG1 THR 524 -11.266 15.792 2.796 110 1HG2 THR 524 2HG2 THR 524 -9.103 14.442 4.708 111 2HG2 THR 524 1HG2 THR 524 -10.385 15.645 4.515 112 3HG2 THR 524 3HG2 THR 524 -10.761 14.057 5.190 113 H THR 525 H THR 525 -6.619 13.269 2.500 114 HA THR 525 HA THR 525 -5.760 15.732 3.636 115 HB THR 525 HB THR 525 -4.375 13.793 1.766 116 HG1 THR 525 HG1 THR 525 -4.486 12.831 3.658 117 1HG2 THR 525 3HG2 THR 525 -3.275 16.215 3.215 118 2HG2 THR 525 2HG2 THR 525 -2.274 14.952 2.498 119 3HG2 THR 525 1HG2 THR 525 -3.306 15.947 1.472 120 H THR 526 H THR 526 -4.466 17.431 2.387 121 HA THR 526 HA THR 526 -6.132 18.433 0.204 122 HB THR 526 HB THR 526 -5.021 19.867 2.002 123 HG1 THR 526 HG1 THR 526 -4.936 21.501 0.602 124 1HG2 THR 526 3HG2 THR 526 -2.598 19.330 0.262 125 2HG2 THR 526 2HG2 THR 526 -2.676 20.498 1.581 126 3HG2 THR 526 1HG2 THR 526 -2.814 18.773 1.922 127 H TYR 527 H TYR 527 -5.046 19.185 -1.869 128 HA TYR 527 HA TYR 527 -3.570 16.951 -3.025 129 1HB TYR 527 2HB TYR 527 -5.314 18.649 -4.109 130 2HB TYR 527 1HB TYR 527 -3.847 19.563 -4.456 131 HD1 TYR 527 HD1 TYR 527 -5.425 16.201 -4.837 132 HD2 TYR 527 HD2 TYR 527 -2.402 18.923 -6.217 133 HE1 TYR 527 HE1 TYR 527 -4.930 14.688 -6.738 134 HE2 TYR 527 HE2 TYR 527 -1.907 17.410 -8.118 135 HH TYR 527 HH TYR 527 -2.935 14.235 -8.255 136 H GLY 528 H GLY 528 -1.392 16.930 -3.638 137 1HA GLY 528 2HA GLY 528 0.471 18.822 -4.069 138 2HA GLY 528 1HA GLY 528 0.306 18.954 -2.318 139 H GLU 529 H GLU 529 -0.003 16.311 -1.566 140 HA GLU 529 HA GLU 529 2.660 15.192 -2.315 141 1HB GLU 529 2HB GLU 529 1.062 14.183 0.012 142 2HB GLU 529 1HB GLU 529 2.812 14.296 -0.177 143 1HG GLU 529 2HG GLU 529 2.756 16.697 0.101 144 2HG GLU 529 1HG GLU 529 0.993 16.706 0.071 145 H ASN 530 H ASN 530 2.381 12.573 -1.628 146 HA ASN 530 HA ASN 530 -0.061 11.467 -2.923 147 1HB ASN 530 2HB ASN 530 2.111 11.930 -4.539 148 2HB ASN 530 1HB ASN 530 2.511 10.349 -3.910 149 1HD2 ASN 530 2HD2 ASN 530 0.032 8.652 -5.749 150 2HD2 ASN 530 1HD2 ASN 530 1.237 8.537 -4.561 151 H ILE 531 H ILE 531 -0.407 9.369 -2.135 152 HA ILE 531 HA ILE 531 1.560 8.554 -0.083 153 HB ILE 531 HB ILE 531 -1.293 7.706 -0.607 154 1HG1 ILE 531 2HG1 ILE 531 -1.294 8.508 1.896 155 2HG1 ILE 531 1HG1 ILE 531 0.192 9.329 1.433 156 1HG2 ILE 531 2HG2 ILE 531 0.824 6.169 0.556 157 2HG2 ILE 531 1HG2 ILE 531 -0.266 6.661 1.848 158 3HG2 ILE 531 3HG2 ILE 531 -0.891 5.767 0.464 159 1HD1 ILE 531 2HD1 ILE 531 -2.279 9.580 -0.252 160 2HD1 ILE 531 1HD1 ILE 531 -2.048 10.604 1.166 161 3HD1 ILE 531 3HD1 ILE 531 -0.887 10.659 -0.160 162 H TYR 532 H TYR 532 3.081 7.236 -0.706 163 HA TYR 532 HA TYR 532 2.572 5.323 -2.913 164 1HB TYR 532 2HB TYR 532 5.041 6.239 -1.499 165 2HB TYR 532 1HB TYR 532 5.052 4.821 -2.519 166 HD1 TYR 532 HD2 TYR 532 3.849 8.361 -2.560 167 HD2 TYR 532 HD1 TYR 532 5.487 5.045 -4.769 168 HE1 TYR 532 HE2 TYR 532 4.144 9.826 -4.554 169 HE2 TYR 532 HE1 TYR 532 5.792 6.522 -6.752 170 HH TYR 532 HH TYR 532 4.926 8.570 -7.663 171 H LEU 533 H LEU 533 4.313 3.252 -1.990 172 HA LEU 533 HA LEU 533 3.650 2.480 0.705 173 1HB LEU 533 2HB LEU 533 1.460 2.052 0.038 174 2HB LEU 533 1HB LEU 533 1.942 1.521 -1.565 175 HG LEU 533 HG LEU 533 2.386 -0.636 -0.864 176 1HD1 LEU 533 2HD1 LEU 533 3.589 0.637 1.410 177 2HD1 LEU 533 1HD1 LEU 533 2.491 -0.618 1.973 178 3HD1 LEU 533 3HD1 LEU 533 3.775 -1.020 0.839 179 1HD2 LEU 533 1HD2 LEU 533 0.017 0.281 -0.200 180 2HD2 LEU 533 3HD2 LEU 533 0.509 -1.338 0.293 181 3HD2 LEU 533 2HD2 LEU 533 0.590 -0.004 1.444 182 H VAL 534 H VAL 534 5.384 1.341 1.283 183 HA VAL 534 HA VAL 534 6.663 -0.432 -0.764 184 HB VAL 534 HB VAL 534 8.101 1.414 -0.045 185 1HG1 VAL 534 2HG1 VAL 534 7.137 0.655 2.561 186 2HG1 VAL 534 1HG1 VAL 534 8.900 0.729 2.490 187 3HG1 VAL 534 3HG1 VAL 534 7.940 2.141 2.047 188 1HG2 VAL 534 3HG2 VAL 534 9.007 -1.222 1.021 189 2HG2 VAL 534 2HG2 VAL 534 9.233 -0.605 -0.618 190 3HG2 VAL 534 1HG2 VAL 534 10.022 0.182 0.738 191 H GLY 535 H GLY 535 7.779 -2.404 0.402 192 1HA GLY 535 2HA GLY 535 6.215 -3.146 2.825 193 2HA GLY 535 1HA GLY 535 5.977 -4.125 1.388 194 H SER 536 H SER 536 6.631 -5.700 3.145 195 HA SER 536 HA SER 536 9.481 -5.863 3.751 196 1HB SER 536 2HB SER 536 8.905 -7.722 5.135 197 2HB SER 536 1HB SER 536 7.634 -6.521 5.347 198 HG SER 536 HG SER 536 6.733 -8.560 4.974 199 H ILE 537 H ILE 537 8.340 -6.246 0.906 200 HA ILE 537 HA ILE 537 10.058 -8.573 0.328 201 HB ILE 537 HB ILE 537 8.386 -9.790 -0.902 202 1HG1 ILE 537 2HG1 ILE 537 6.579 -7.436 -0.282 203 2HG1 ILE 537 1HG1 ILE 537 7.179 -7.912 -1.873 204 1HG2 ILE 537 2HG2 ILE 537 8.402 -9.869 1.690 205 2HG2 ILE 537 1HG2 ILE 537 6.914 -8.926 1.589 206 3HG2 ILE 537 3HG2 ILE 537 6.997 -10.530 0.858 207 1HD1 ILE 537 1HD1 ILE 537 5.940 -10.167 -0.572 208 2HD1 ILE 537 3HD1 ILE 537 4.821 -8.807 -0.606 209 3HD1 ILE 537 2HD1 ILE 537 5.518 -9.414 -2.108 210 H SER 538 H SER 538 10.258 -8.782 -2.167 211 HA SER 538 HA SER 538 11.011 -6.238 -3.203 212 1HB SER 538 2HB SER 538 10.411 -8.780 -4.723 213 2HB SER 538 1HB SER 538 11.219 -7.357 -5.379 214 HG SER 538 HG SER 538 12.792 -8.776 -4.685 215 H GLN 539 H GLN 539 8.004 -8.102 -3.563 216 HA GLN 539 HA GLN 539 6.768 -6.829 -5.666 217 1HB GLN 539 2HB GLN 539 5.790 -7.859 -3.083 218 2HB GLN 539 1HB GLN 539 4.678 -6.886 -4.026 219 1HG GLN 539 2HG GLN 539 6.148 -9.357 -4.988 220 2HG GLN 539 1HG GLN 539 4.428 -9.261 -4.608 221 1HE2 GLN 539 2HE2 GLN 539 4.296 -6.709 -7.479 222 2HE2 GLN 539 1HE2 GLN 539 4.291 -6.462 -5.801 223 H LEU 540 H LEU 540 7.622 -5.447 -2.601 224 HA LEU 540 HA LEU 540 6.370 -2.876 -3.419 225 1HB LEU 540 2HB LEU 540 7.088 -3.885 -0.619 226 2HB LEU 540 1HB LEU 540 6.597 -2.229 -1.015 227 HG LEU 540 HG LEU 540 4.541 -3.162 -0.420 228 1HD1 LEU 540 2HD1 LEU 540 4.769 -3.836 -3.360 229 2HD1 LEU 540 1HD1 LEU 540 3.259 -3.671 -2.466 230 3HD1 LEU 540 3HD1 LEU 540 4.310 -2.272 -2.687 231 1HD2 LEU 540 2HD2 LEU 540 5.773 -5.682 -1.450 232 2HD2 LEU 540 1HD2 LEU 540 4.946 -5.382 0.079 233 3HD2 LEU 540 3HD2 LEU 540 4.013 -5.574 -1.406 234 H GLY 541 H GLY 541 8.731 -3.620 -4.563 235 1HA GLY 541 2HA GLY 541 10.882 -2.791 -4.995 236 2HA GLY 541 1HA GLY 541 10.440 -1.410 -3.990 237 H ASP 542 H ASP 542 10.059 -4.382 -2.384 238 HA ASP 542 HA ASP 542 11.449 -5.557 -0.882 239 1HB ASP 542 2HB ASP 542 13.667 -3.600 -1.375 240 2HB ASP 542 1HB ASP 542 13.783 -5.283 -0.862 241 H TRP 543 H TRP 543 12.357 -2.185 -0.710 242 HA TRP 543 HA TRP 543 10.837 -1.549 1.567 243 1HB TRP 543 2HB TRP 543 13.571 -2.629 2.101 244 2HB TRP 543 1HB TRP 543 13.053 -1.220 3.039 245 HD1 TRP 543 HD1 TRP 543 13.146 -4.630 3.667 246 HE1 TRP 543 HE1 TRP 543 11.069 -5.539 4.896 247 HE3 TRP 543 HE3 TRP 543 9.923 -0.742 2.956 248 HZ2 TRP 543 HZ2 TRP 543 8.374 -4.724 5.434 249 HZ3 TRP 543 HZ3 TRP 543 7.614 -0.835 3.842 250 HH2 TRP 543 HH2 TRP 543 6.852 -2.830 5.098 251 H GLU 544 H GLU 544 11.234 -0.355 -0.824 252 HA GLU 544 HA GLU 544 12.855 2.040 -0.029 253 1HB GLU 544 2HB GLU 544 12.429 0.732 -2.694 254 2HB GLU 544 1HB GLU 544 12.632 2.484 -2.615 255 1HG GLU 544 2HG GLU 544 14.816 1.454 -2.938 256 2HG GLU 544 1HG GLU 544 14.734 2.144 -1.316 257 H THR 545 H THR 545 11.613 3.813 0.315 258 HA THR 545 HA THR 545 8.760 3.540 -0.262 259 HB THR 545 HB THR 545 9.138 4.591 1.828 260 HG1 THR 545 HG1 THR 545 8.818 6.712 -0.027 261 1HG2 THR 545 1HG2 THR 545 11.467 5.674 0.439 262 2HG2 THR 545 3HG2 THR 545 10.647 6.885 1.424 263 3HG2 THR 545 2HG2 THR 545 11.219 5.391 2.162 264 H SER 546 H SER 546 11.583 5.157 -1.534 265 HA SER 546 HA SER 546 10.100 6.942 -3.272 266 1HB SER 546 2HB SER 546 12.567 6.919 -4.293 267 2HB SER 546 1HB SER 546 12.180 7.850 -2.859 268 HG SER 546 HG SER 546 13.651 6.648 -1.960 269 H ASP 547 H ASP 547 10.941 3.706 -3.225 270 HA ASP 547 HA ASP 547 10.280 3.438 -6.111 271 1HB ASP 547 2HB ASP 547 12.516 2.216 -4.549 272 2HB ASP 547 1HB ASP 547 11.737 1.221 -5.779 273 H GLY 548 H GLY 548 9.185 3.012 -3.109 274 1HA GLY 548 2HA GLY 548 8.302 0.297 -2.998 275 2HA GLY 548 1HA GLY 548 7.517 1.648 -2.164 276 H ILE 549 H ILE 549 5.473 2.117 -2.893 277 HA ILE 549 HA ILE 549 4.946 1.799 -5.779 278 HB ILE 549 HB ILE 549 3.227 0.495 -3.637 279 1HG1 ILE 549 2HG1 ILE 549 5.428 -0.630 -4.291 280 2HG1 ILE 549 1HG1 ILE 549 3.975 -1.596 -4.546 281 1HG2 ILE 549 1HG2 ILE 549 2.809 1.159 -6.507 282 2HG2 ILE 549 3HG2 ILE 549 2.313 -0.457 -6.003 283 3HG2 ILE 549 2HG2 ILE 549 1.629 0.964 -5.212 284 1HD1 ILE 549 2HD1 ILE 549 4.819 0.133 -6.810 285 2HD1 ILE 549 1HD1 ILE 549 5.848 -1.255 -6.459 286 3HD1 ILE 549 3HD1 ILE 549 4.140 -1.496 -6.828 287 H ALA 550 H ALA 550 4.094 3.611 -6.481 288 HA ALA 550 HA ALA 550 2.962 5.588 -4.708 289 1HB ALA 550 2HB ALA 550 3.981 5.699 -7.230 290 2HB ALA 550 1HB ALA 550 2.247 5.749 -7.559 291 3HB ALA 550 3HB ALA 550 2.975 6.959 -6.507 292 H LEU 551 H LEU 551 0.855 6.025 -4.293 293 HA LEU 551 HA LEU 551 -1.071 4.031 -5.311 294 1HB LEU 551 2HB LEU 551 -1.194 5.829 -2.907 295 2HB LEU 551 1HB LEU 551 -2.575 4.937 -3.494 296 HG LEU 551 HG LEU 551 -1.072 2.844 -3.322 297 1HD1 LEU 551 3HD1 LEU 551 0.964 4.371 -2.953 298 2HD1 LEU 551 2HD1 LEU 551 0.367 4.548 -1.305 299 3HD1 LEU 551 1HD1 LEU 551 0.812 2.951 -1.921 300 1HD2 LEU 551 3HD2 LEU 551 -2.843 4.090 -1.572 301 2HD2 LEU 551 2HD2 LEU 551 -2.259 2.432 -1.445 302 3HD2 LEU 551 1HD2 LEU 551 -1.444 3.723 -0.564 303 H SER 552 H SER 552 -3.381 4.950 -5.509 304 HA SER 552 HA SER 552 -3.125 7.635 -6.764 305 1HB SER 552 2HB SER 552 -3.203 6.313 -8.577 306 2HB SER 552 1HB SER 552 -4.294 5.152 -7.854 307 HG SER 552 HG SER 552 -5.136 6.771 -9.480 308 H ALA 553 H ALA 553 -5.505 8.495 -7.224 309 HA ALA 553 HA ALA 553 -7.110 7.930 -4.767 310 1HB ALA 553 1HB ALA 553 -5.789 10.335 -5.576 311 2HB ALA 553 3HB ALA 553 -7.531 10.604 -5.636 312 3HB ALA 553 2HB ALA 553 -6.773 10.059 -4.140 313 H ASP 554 H ASP 554 -7.610 6.699 -7.257 314 HA ASP 554 HA ASP 554 -9.432 8.007 -8.943 315 1HB ASP 554 2HB ASP 554 -9.713 5.925 -9.863 316 2HB ASP 554 1HB ASP 554 -8.250 5.620 -8.960 317 H LYS 555 H LYS 555 -9.919 6.415 -5.825 318 HA LYS 555 HA LYS 555 -12.805 7.192 -5.939 319 1HB LYS 555 2HB LYS 555 -11.738 4.718 -5.378 320 2HB LYS 555 1HB LYS 555 -11.943 5.398 -3.762 321 1HG LYS 555 2HG LYS 555 -14.233 5.464 -3.930 322 2HG LYS 555 1HG LYS 555 -14.202 5.767 -5.667 323 1HD LYS 555 2HD LYS 555 -13.075 3.225 -5.394 324 2HD LYS 555 1HD LYS 555 -14.414 3.234 -4.246 325 1HE LYS 555 2HE LYS 555 -15.244 2.495 -6.410 326 2HE LYS 555 1HE LYS 555 -15.904 4.093 -6.063 327 1HZ LYS 555 1HZ LYS 555 -13.381 3.838 -7.555 328 2HZ LYS 555 3HZ LYS 555 -14.859 3.626 -8.360 329 3HZ LYS 555 2HZ LYS 555 -14.522 5.097 -7.580 330 H TYR 556 H TYR 556 -10.627 9.007 -5.305 331 HA TYR 556 HA TYR 556 -11.370 9.658 -2.501 332 1HB TYR 556 2HB TYR 556 -9.151 8.744 -2.383 333 2HB TYR 556 1HB TYR 556 -8.647 9.630 -3.811 334 HD1 TYR 556 HD2 TYR 556 -10.702 11.660 -1.630 335 HD2 TYR 556 HD1 TYR 556 -6.709 10.211 -2.241 336 HE1 TYR 556 HE2 TYR 556 -9.850 13.441 -0.178 337 HE2 TYR 556 HE1 TYR 556 -5.849 12.034 -0.791 338 HH TYR 556 HH TYR 556 -6.354 13.914 0.232 339 H THR 557 H THR 557 -12.442 11.589 -2.579 340 HA THR 557 HA THR 557 -11.222 13.818 -4.010 341 HB THR 557 HB THR 557 -12.513 12.693 -5.808 342 HG1 THR 557 HG1 THR 557 -13.350 14.554 -6.516 343 1HG2 THR 557 2HG2 THR 557 -14.422 12.426 -3.708 344 2HG2 THR 557 1HG2 THR 557 -15.153 13.410 -4.976 345 3HG2 THR 557 3HG2 THR 557 -14.525 11.805 -5.356 346 H SER 558 H SER 558 -11.537 13.745 -1.345 347 HA SER 558 HA SER 558 -12.270 15.268 0.305 348 1HB SER 558 2HB SER 558 -14.574 16.199 -1.348 349 2HB SER 558 1HB SER 558 -13.522 17.113 -0.271 350 HG SER 558 HG SER 558 -13.350 17.065 -2.821 351 H SER 559 H SER 559 -15.163 14.082 -1.487 352 HA SER 559 HA SER 559 -16.660 13.677 0.938 353 1HB SER 559 2HB SER 559 -16.999 12.792 -1.917 354 2HB SER 559 1HB SER 559 -18.059 12.162 -0.660 355 HG SER 559 HG SER 559 -18.696 14.246 -0.192 356 H ASP 560 H ASP 560 -15.556 11.181 -1.353 357 HA ASP 560 HA ASP 560 -15.090 9.404 1.009 358 1HB ASP 560 2HB ASP 560 -15.886 8.740 -1.841 359 2HB ASP 560 1HB ASP 560 -15.402 7.526 -0.656 360 HA PRO 561 HA PRO 561 -10.994 10.081 -0.766 361 1HB PRO 561 2HB PRO 561 -9.714 10.049 1.661 362 2HB PRO 561 1HB PRO 561 -10.403 11.508 0.920 363 1HG PRO 561 2HG PRO 561 -11.372 9.953 3.232 364 2HG PRO 561 1HG PRO 561 -11.761 11.611 2.739 365 1HD PRO 561 2HD PRO 561 -13.389 9.260 2.361 366 2HD PRO 561 1HD PRO 561 -13.728 10.913 1.794 367 H LEU 562 H LEU 562 -10.699 8.061 -1.708 368 HA LEU 562 HA LEU 562 -9.611 6.020 0.144 369 1HB LEU 562 2HB LEU 562 -12.070 5.845 -1.294 370 2HB LEU 562 1HB LEU 562 -10.939 4.667 -1.967 371 HG LEU 562 HG LEU 562 -10.652 4.645 0.872 372 1HD1 LEU 562 2HD1 LEU 562 -13.505 4.432 -0.137 373 2HD1 LEU 562 1HD1 LEU 562 -12.972 3.876 1.450 374 3HD1 LEU 562 3HD1 LEU 562 -12.885 5.593 1.043 375 1HD2 LEU 562 2HD2 LEU 562 -10.171 2.803 -0.717 376 2HD2 LEU 562 1HD2 LEU 562 -11.282 2.283 0.555 377 3HD2 LEU 562 3HD2 LEU 562 -11.899 2.657 -1.055 378 H TRP 563 H TRP 563 -7.510 6.246 -0.501 379 HA TRP 563 HA TRP 563 -6.700 6.309 -3.317 380 1HB TRP 563 2HB TRP 563 -5.237 5.771 -0.769 381 2HB TRP 563 1HB TRP 563 -4.464 5.677 -2.292 382 HD1 TRP 563 HD1 TRP 563 -6.243 8.519 -0.155 383 HE1 TRP 563 HE1 TRP 563 -4.979 10.637 -0.803 384 HE3 TRP 563 HE3 TRP 563 -3.150 6.689 -3.722 385 HZ2 TRP 563 HZ2 TRP 563 -2.958 11.516 -2.642 386 HZ3 TRP 563 HZ3 TRP 563 -1.563 8.185 -4.893 387 HH2 TRP 563 HH2 TRP 563 -1.477 10.536 -4.395 388 H TYR 564 H TYR 564 -4.799 4.402 -3.532 389 HA TYR 564 HA TYR 564 -4.684 2.086 -2.401 390 1HB TYR 564 2HB TYR 564 -6.280 0.446 -3.183 391 2HB TYR 564 1HB TYR 564 -7.059 1.680 -2.235 392 HD1 TYR 564 HD2 TYR 564 -6.312 0.643 -5.701 393 HD2 TYR 564 HD1 TYR 564 -8.859 2.856 -3.070 394 HE1 TYR 564 HE2 TYR 564 -7.916 0.973 -7.531 395 HE2 TYR 564 HE1 TYR 564 -10.454 3.196 -4.871 396 HH TYR 564 HH TYR 564 -11.058 1.962 -7.080 397 H VAL 565 H VAL 565 -3.844 0.448 -3.289 398 HA VAL 565 HA VAL 565 -3.277 0.446 -6.207 399 HB VAL 565 HB VAL 565 -1.142 0.419 -4.063 400 1HG1 VAL 565 2HG1 VAL 565 -1.079 -1.136 -6.298 401 2HG1 VAL 565 1HG1 VAL 565 -0.523 0.402 -6.962 402 3HG1 VAL 565 3HG1 VAL 565 0.356 -0.354 -5.634 403 1HG2 VAL 565 3HG2 VAL 565 -2.108 2.543 -4.812 404 2HG2 VAL 565 2HG2 VAL 565 -0.396 2.343 -5.222 405 3HG2 VAL 565 1HG2 VAL 565 -1.642 2.122 -6.461 406 H THR 566 H THR 566 -3.518 -1.503 -6.948 407 HA THR 566 HA THR 566 -3.743 -3.747 -5.043 408 HB THR 566 HB THR 566 -5.419 -3.383 -6.900 409 HG1 THR 566 HG1 THR 566 -5.665 -5.433 -6.602 410 1HG2 THR 566 2HG2 THR 566 -3.017 -3.184 -8.368 411 2HG2 THR 566 1HG2 THR 566 -3.850 -4.629 -8.954 412 3HG2 THR 566 3HG2 THR 566 -4.669 -3.063 -8.989 413 H VAL 567 H VAL 567 -1.310 -3.491 -4.690 414 HA VAL 567 HA VAL 567 0.467 -4.340 -6.833 415 HB VAL 567 HB VAL 567 0.830 -3.913 -3.871 416 1HG1 VAL 567 2HG1 VAL 567 2.479 -5.581 -5.693 417 2HG1 VAL 567 1HG1 VAL 567 3.375 -4.411 -4.717 418 3HG1 VAL 567 3HG1 VAL 567 2.356 -5.622 -3.934 419 1HG2 VAL 567 2HG2 VAL 567 1.237 -2.411 -6.286 420 2HG2 VAL 567 1HG2 VAL 567 1.478 -1.887 -4.617 421 3HG2 VAL 567 3HG2 VAL 567 2.795 -2.664 -5.499 422 H THR 568 H THR 568 1.330 -6.404 -7.111 423 HA THR 568 HA THR 568 -0.320 -8.563 -6.061 424 HB THR 568 HB THR 568 1.636 -9.851 -7.371 425 HG1 THR 568 HG1 THR 568 2.186 -8.428 -9.148 426 1HG2 THR 568 3HG2 THR 568 -0.822 -9.752 -7.868 427 2HG2 THR 568 2HG2 THR 568 -0.524 -8.274 -8.785 428 3HG2 THR 568 1HG2 THR 568 0.195 -9.798 -9.309 429 H LEU 569 H LEU 569 0.392 -10.281 -4.825 430 HA LEU 569 HA LEU 569 3.061 -10.110 -3.540 431 1HB LEU 569 2HB LEU 569 0.402 -10.189 -2.056 432 2HB LEU 569 1HB LEU 569 1.967 -10.441 -1.284 433 HG LEU 569 HG LEU 569 1.143 -7.944 -2.813 434 1HD1 LEU 569 3HD1 LEU 569 0.829 -8.730 -0.021 435 2HD1 LEU 569 2HD1 LEU 569 1.833 -7.274 -0.178 436 3HD1 LEU 569 1HD1 LEU 569 0.202 -7.310 -0.866 437 1HD2 LEU 569 3HD2 LEU 569 3.702 -9.009 -2.220 438 2HD2 LEU 569 2HD2 LEU 569 3.322 -7.421 -2.878 439 3HD2 LEU 569 1HD2 LEU 569 3.453 -7.642 -1.135 440 HA PRO 570 HA PRO 570 1.958 -14.255 -5.060 441 1HB PRO 570 2HB PRO 570 4.465 -14.805 -5.991 442 2HB PRO 570 1HB PRO 570 3.232 -13.933 -6.919 443 1HG PRO 570 2HG PRO 570 5.662 -12.873 -5.561 444 2HG PRO 570 1HG PRO 570 4.768 -12.212 -6.941 445 1HD PRO 570 2HD PRO 570 4.612 -11.307 -4.263 446 2HD PRO 570 1HD PRO 570 3.518 -10.860 -5.585 447 H ALA 571 H ALA 571 2.562 -16.332 -4.558 448 HA ALA 571 HA ALA 571 3.608 -18.077 -3.370 449 1HB ALA 571 2HB ALA 571 5.614 -16.409 -3.307 450 2HB ALA 571 1HB ALA 571 5.073 -16.091 -1.658 451 3HB ALA 571 3HB ALA 571 5.558 -17.720 -2.128 452 H GLY 572 H GLY 572 1.446 -15.904 -2.385 453 1HA GLY 572 2HA GLY 572 -0.052 -15.820 -0.560 454 2HA GLY 572 1HA GLY 572 0.440 -17.487 -0.224 455 H GLU 573 H GLU 573 0.165 -14.917 1.584 456 HA GLU 573 HA GLU 573 2.270 -15.593 3.374 457 1HB GLU 573 2HB GLU 573 3.245 -14.350 1.084 458 2HB GLU 573 1HB GLU 573 3.224 -13.075 2.297 459 1HG GLU 573 2HG GLU 573 5.207 -13.953 2.975 460 2HG GLU 573 1HG GLU 573 4.217 -15.198 3.737 461 H SER 574 H SER 574 2.406 -14.288 5.210 462 HA SER 574 HA SER 574 0.215 -12.332 5.554 463 1HB SER 574 2HB SER 574 0.420 -13.713 7.464 464 2HB SER 574 1HB SER 574 2.181 -13.693 7.398 465 HG SER 574 HG SER 574 1.312 -12.327 9.044 466 H PHE 575 H PHE 575 1.946 -11.485 3.693 467 HA PHE 575 HA PHE 575 4.303 -10.240 4.071 468 1HB PHE 575 2HB PHE 575 1.916 -8.914 2.757 469 2HB PHE 575 1HB PHE 575 3.616 -8.536 2.458 470 HD1 PHE 575 HD1 PHE 575 5.067 -10.074 1.276 471 HD2 PHE 575 HD2 PHE 575 0.907 -11.017 1.888 472 HE1 PHE 575 HE1 PHE 575 5.223 -11.872 -0.422 473 HE2 PHE 575 HE2 PHE 575 1.090 -12.807 0.200 474 HZ PHE 575 HZ PHE 575 3.230 -13.237 -0.963 475 H GLU 576 H GLU 576 4.885 -7.968 4.513 476 HA GLU 576 HA GLU 576 3.120 -6.632 6.494 477 1HB GLU 576 2HB GLU 576 5.513 -7.997 7.164 478 2HB GLU 576 1HB GLU 576 5.850 -6.267 7.257 479 1HG GLU 576 2HG GLU 576 3.952 -5.914 8.724 480 2HG GLU 576 1HG GLU 576 3.461 -7.599 8.552 481 H TYR 577 H TYR 577 2.755 -4.701 5.593 482 HA TYR 577 HA TYR 577 5.058 -3.110 4.714 483 1HB TYR 577 2HB TYR 577 3.839 -2.477 2.562 484 2HB TYR 577 1HB TYR 577 4.596 -4.057 2.616 485 HD1 TYR 577 HD2 TYR 577 1.558 -3.850 4.598 486 HD2 TYR 577 HD1 TYR 577 3.088 -4.519 0.635 487 HE1 TYR 577 HE2 TYR 577 -0.582 -4.902 3.932 488 HE2 TYR 577 HE1 TYR 577 0.966 -5.530 -0.021 489 HH TYR 577 HH TYR 577 -0.946 -6.509 0.836 490 H LYS 578 H LYS 578 4.375 -0.811 4.194 491 HA LYS 578 HA LYS 578 1.825 -0.029 5.479 492 1HB LYS 578 2HB LYS 578 4.371 0.108 6.798 493 2HB LYS 578 1HB LYS 578 3.792 1.747 6.499 494 1HG LYS 578 2HG LYS 578 2.047 -0.411 7.707 495 2HG LYS 578 1HG LYS 578 3.007 0.702 8.682 496 1HD LYS 578 2HD LYS 578 1.866 2.611 7.514 497 2HD LYS 578 1HD LYS 578 0.815 1.434 6.724 498 1HE LYS 578 2HE LYS 578 -0.529 1.616 8.530 499 2HE LYS 578 1HE LYS 578 0.702 0.707 9.406 500 1HZ LYS 578 2HZ LYS 578 1.049 3.601 9.079 501 2HZ LYS 578 1HZ LYS 578 -0.066 3.043 10.232 502 3HZ LYS 578 3HZ LYS 578 1.563 2.586 10.340 503 H PHE 579 H PHE 579 1.408 2.320 5.188 504 HA PHE 579 HA PHE 579 2.081 3.114 2.475 505 1HB PHE 579 2HB PHE 579 0.388 4.691 2.701 506 2HB PHE 579 1HB PHE 579 -0.125 3.488 3.866 507 HD1 PHE 579 HD2 PHE 579 1.744 6.697 3.540 508 HD2 PHE 579 HD1 PHE 579 -0.326 4.001 6.167 509 HE1 PHE 579 HE2 PHE 579 1.848 8.383 5.354 510 HE2 PHE 579 HE1 PHE 579 -0.221 5.688 7.981 511 HZ PHE 579 HZ PHE 579 0.866 7.880 7.575 512 H ILE 580 H ILE 580 3.077 5.143 1.906 513 HA ILE 580 HA ILE 580 5.051 6.124 3.939 514 HB ILE 580 HB ILE 580 6.071 6.875 1.496 515 1HG1 ILE 580 2HG1 ILE 580 4.880 4.097 1.227 516 2HG1 ILE 580 1HG1 ILE 580 4.383 5.524 0.307 517 1HG2 ILE 580 1HG2 ILE 580 6.655 4.840 3.469 518 2HG2 ILE 580 3HG2 ILE 580 7.279 4.456 1.874 519 3HG2 ILE 580 2HG2 ILE 580 7.740 5.974 2.641 520 1HD1 ILE 580 2HD1 ILE 580 6.667 5.714 -0.620 521 2HD1 ILE 580 1HD1 ILE 580 7.142 4.288 0.294 522 3HD1 ILE 580 3HD1 ILE 580 5.959 4.140 -1.001 523 H ARG 581 H ARG 581 5.446 8.383 3.932 524 HA ARG 581 HA ARG 581 3.292 10.040 2.693 525 1HB ARG 581 2HB ARG 581 5.357 10.869 4.760 526 2HB ARG 581 1HB ARG 581 3.885 11.736 4.329 527 1HG ARG 581 2HG ARG 581 2.498 10.135 5.381 528 2HG ARG 581 1HG ARG 581 3.778 8.924 5.418 529 1HD ARG 581 2HD ARG 581 4.913 10.989 6.832 530 2HD ARG 581 1HD ARG 581 3.217 11.117 7.298 531 HE ARG 581 HE ARG 581 4.230 8.386 7.434 532 1HH1 ARG 581 2HH1 ARG 581 4.445 11.436 8.985 533 2HH1 ARG 581 1HH1 ARG 581 4.338 10.788 10.588 534 1HH2 ARG 581 1HH2 ARG 581 3.865 7.522 9.520 535 2HH2 ARG 581 2HH2 ARG 581 4.010 8.572 10.891 536 H ILE 582 H ILE 582 4.138 10.294 0.541 537 HA ILE 582 HA ILE 582 6.941 11.269 0.414 538 HB ILE 582 HB ILE 582 5.160 10.148 -1.751 539 1HG1 ILE 582 2HG1 ILE 582 6.846 8.181 -1.414 540 2HG1 ILE 582 1HG1 ILE 582 7.132 8.907 0.173 541 1HG2 ILE 582 3HG2 ILE 582 7.237 11.689 -2.285 542 2HG2 ILE 582 2HG2 ILE 582 8.150 10.232 -1.889 543 3HG2 ILE 582 1HG2 ILE 582 6.955 10.200 -3.190 544 1HD1 ILE 582 2HD1 ILE 582 4.319 8.515 -0.756 545 2HD1 ILE 582 1HD1 ILE 582 5.216 7.145 -0.116 546 3HD1 ILE 582 3HD1 ILE 582 4.964 8.564 0.873 547 H GLU 583 H GLU 583 7.332 13.299 0.026 548 HA GLU 583 HA GLU 583 5.294 15.259 -0.540 549 1HB GLU 583 2HB GLU 583 8.180 15.167 0.023 550 2HB GLU 583 1HB GLU 583 7.726 16.468 -1.070 551 1HG GLU 583 2HG GLU 583 5.809 16.890 0.683 552 2HG GLU 583 1HG GLU 583 6.856 15.977 1.768 553 H SER 584 H SER 584 6.198 16.939 -2.446 554 HA SER 584 HA SER 584 5.503 15.723 -4.898 555 1HB SER 584 2HB SER 584 7.419 18.015 -4.923 556 2HB SER 584 1HB SER 584 5.973 17.766 -5.897 557 HG SER 584 HG SER 584 6.181 19.238 -3.770 558 H ASP 585 H ASP 585 8.374 15.694 -3.115 559 HA ASP 585 HA ASP 585 9.887 14.480 -5.378 560 1HB ASP 585 2HB ASP 585 11.853 14.871 -3.705 561 2HB ASP 585 1HB ASP 585 11.199 16.261 -4.571 562 H ASP 586 H ASP 586 11.730 13.036 -3.932 563 HA ASP 586 HA ASP 586 10.058 10.833 -2.945 564 1HB ASP 586 2HB ASP 586 12.375 9.692 -2.792 565 2HB ASP 586 1HB ASP 586 11.759 10.079 -4.399 566 H SER 587 H SER 587 10.741 13.448 -1.346 567 HA SER 587 HA SER 587 12.223 12.333 0.939 568 1HB SER 587 2HB SER 587 10.562 14.867 0.695 569 2HB SER 587 1HB SER 587 11.563 14.442 2.081 570 HG SER 587 HG SER 587 12.603 14.540 -0.545 571 H VAL 588 H VAL 588 11.206 11.244 2.691 572 HA VAL 588 HA VAL 588 8.290 11.578 2.920 573 HB VAL 588 HB VAL 588 7.627 9.472 2.227 574 1HG1 VAL 588 2HG1 VAL 588 10.158 10.006 0.706 575 2HG1 VAL 588 1HG1 VAL 588 8.983 8.755 0.280 576 3HG1 VAL 588 3HG1 VAL 588 8.517 10.456 0.250 577 1HG2 VAL 588 2HG2 VAL 588 9.234 8.299 3.793 578 2HG2 VAL 588 1HG2 VAL 588 8.930 7.491 2.257 579 3HG2 VAL 588 3HG2 VAL 588 10.425 8.393 2.501 580 H GLU 589 H GLU 589 7.406 9.887 4.409 581 HA GLU 589 HA GLU 589 9.007 8.760 6.489 582 1HB GLU 589 2HB GLU 589 7.297 11.156 7.249 583 2HB GLU 589 1HB GLU 589 8.123 10.096 8.387 584 1HG GLU 589 2HG GLU 589 10.286 10.712 7.173 585 2HG GLU 589 1HG GLU 589 9.362 11.992 6.387 586 H TRP 590 H TRP 590 7.968 7.038 7.121 587 HA TRP 590 HA TRP 590 5.130 6.901 6.343 588 1HB TRP 590 2HB TRP 590 6.480 4.431 6.782 589 2HB TRP 590 1HB TRP 590 5.596 5.050 5.438 590 HD1 TRP 590 HD1 TRP 590 8.023 7.425 4.853 591 HE1 TRP 590 HE1 TRP 590 10.053 6.394 3.599 592 HE3 TRP 590 HE3 TRP 590 7.090 2.652 5.831 593 HZ2 TRP 590 HZ2 TRP 590 11.134 3.730 3.096 594 HZ3 TRP 590 HZ3 TRP 590 8.573 0.803 4.961 595 HH2 TRP 590 HH2 TRP 590 10.594 1.350 3.607 596 H GLU 591 H GLU 591 4.662 4.477 7.255 597 HA GLU 591 HA GLU 591 3.354 4.095 9.451 598 1HB GLU 591 2HB GLU 591 4.760 2.020 9.977 599 2HB GLU 591 1HB GLU 591 4.196 2.101 8.335 600 1HG GLU 591 2HG GLU 591 6.275 2.444 7.485 601 2HG GLU 591 1HG GLU 591 6.777 3.434 8.857 602 H SER 592 H SER 592 3.546 4.025 11.692 603 HA SER 592 HA SER 592 5.836 5.366 12.925 604 1HB SER 592 2HB SER 592 3.545 5.386 13.989 605 2HB SER 592 1HB SER 592 3.662 3.641 14.186 606 HG SER 592 HG SER 592 4.440 5.354 15.898 607 H ASP 593 H ASP 593 5.551 2.802 14.887 608 HA ASP 593 HA ASP 593 7.660 1.387 13.383 609 1HB ASP 593 2HB ASP 593 6.773 1.388 16.227 610 2HB ASP 593 1HB ASP 593 7.522 -0.076 15.590 611 HA PRO 594 HA PRO 594 4.535 -2.110 14.039 612 1HB PRO 594 2HB PRO 594 1.932 -1.406 14.512 613 2HB PRO 594 1HB PRO 594 3.101 -1.805 15.779 614 1HG PRO 594 2HG PRO 594 2.044 0.865 14.979 615 2HG PRO 594 1HG PRO 594 2.686 0.337 16.544 616 1HD PRO 594 2HD PRO 594 4.063 1.881 14.629 617 2HD PRO 594 1HD PRO 594 4.806 1.060 16.021 618 H ASN 595 H ASN 595 4.971 -2.133 11.875 619 HA ASN 595 HA ASN 595 3.523 -0.640 9.870 620 1HB ASN 595 2HB ASN 595 4.807 -3.339 9.401 621 2HB ASN 595 1HB ASN 595 4.604 -2.018 8.252 622 1HD2 ASN 595 2HD2 ASN 595 8.114 -1.725 9.241 623 2HD2 ASN 595 1HD2 ASN 595 7.139 -2.697 8.245 624 H ARG 596 H ARG 596 2.419 -2.211 8.041 625 HA ARG 596 HA ARG 596 0.217 -3.591 9.511 626 1HB ARG 596 2HB ARG 596 0.290 -2.476 6.689 627 2HB ARG 596 1HB ARG 596 -1.109 -3.227 7.458 628 1HG ARG 596 2HG ARG 596 0.049 -1.129 9.121 629 2HG ARG 596 1HG ARG 596 -0.453 -0.519 7.543 630 1HD ARG 596 2HD ARG 596 -2.622 -0.643 8.131 631 2HD ARG 596 1HD ARG 596 -2.444 -2.342 8.570 632 HE ARG 596 HE ARG 596 -1.343 -0.644 10.626 633 1HH1 ARG 596 2HH1 ARG 596 -3.488 -3.043 10.315 634 2HH1 ARG 596 1HH1 ARG 596 -4.747 -2.363 11.291 635 1HH2 ARG 596 1HH2 ARG 596 -3.304 0.786 11.427 636 2HH2 ARG 596 2HH2 ARG 596 -4.643 -0.195 11.920 637 H GLU 597 H GLU 597 -0.823 -5.252 7.647 638 HA GLU 597 HA GLU 597 1.287 -6.760 6.290 639 1HB GLU 597 2HB GLU 597 0.996 -8.819 7.580 640 2HB GLU 597 1HB GLU 597 1.512 -7.514 8.650 641 1HG GLU 597 2HG GLU 597 -1.365 -7.518 8.445 642 2HG GLU 597 1HG GLU 597 -0.800 -9.125 8.904 643 H TYR 598 H TYR 598 0.291 -8.871 5.383 644 HA TYR 598 HA TYR 598 -2.609 -8.810 5.018 645 1HB TYR 598 2HB TYR 598 -1.898 -7.216 3.294 646 2HB TYR 598 1HB TYR 598 -0.782 -8.418 2.676 647 HD1 TYR 598 HD1 TYR 598 -4.421 -7.862 3.370 648 HD2 TYR 598 HD2 TYR 598 -1.454 -10.109 1.203 649 HE1 TYR 598 HE1 TYR 598 -6.200 -9.008 2.114 650 HE2 TYR 598 HE2 TYR 598 -3.260 -11.248 -0.063 651 HH TYR 598 HH TYR 598 -6.689 -10.449 0.505 652 H THR 599 H THR 599 -3.396 -10.818 4.230 653 HA THR 599 HA THR 599 -1.287 -12.910 4.008 654 HB THR 599 HB THR 599 -3.462 -14.385 4.479 655 HG1 THR 599 HG1 THR 599 -4.920 -12.756 4.684 656 1HG2 THR 599 1HG2 THR 599 -1.180 -13.735 5.776 657 2HG2 THR 599 3HG2 THR 599 -2.372 -13.074 6.898 658 3HG2 THR 599 2HG2 THR 599 -2.422 -14.784 6.466 659 H VAL 600 H VAL 600 -0.945 -13.463 1.955 660 HA VAL 600 HA VAL 600 -3.016 -13.094 -0.076 661 HB VAL 600 HB VAL 600 -0.143 -13.995 -0.157 662 1HG1 VAL 600 2HG1 VAL 600 -1.722 -15.287 -1.798 663 2HG1 VAL 600 1HG1 VAL 600 -1.819 -13.740 -2.641 664 3HG1 VAL 600 3HG1 VAL 600 -0.262 -14.536 -2.431 665 1HG2 VAL 600 3HG2 VAL 600 -1.142 -11.527 -0.148 666 2HG2 VAL 600 2HG2 VAL 600 0.246 -11.945 -1.156 667 3HG2 VAL 600 1HG2 VAL 600 -1.378 -11.876 -1.868 668 HA PRO 601 HA PRO 601 -4.316 -17.329 0.655 669 1HB PRO 601 2HB PRO 601 -6.532 -17.160 -0.963 670 2HB PRO 601 1HB PRO 601 -6.491 -16.555 0.702 671 1HG PRO 601 2HG PRO 601 -6.399 -15.021 -1.859 672 2HG PRO 601 1HG PRO 601 -7.013 -14.522 -0.274 673 1HD PRO 601 2HD PRO 601 -4.521 -13.777 -1.368 674 2HD PRO 601 1HD PRO 601 -4.991 -13.627 0.339 675 H GLN 602 H GLN 602 -3.768 -19.161 -0.536 676 HA GLN 602 HA GLN 602 -2.622 -18.780 -3.199 677 1HB GLN 602 2HB GLN 602 -3.132 -21.439 -1.860 678 2HB GLN 602 1HB GLN 602 -1.872 -21.022 -3.022 679 1HG GLN 602 2HG GLN 602 -1.558 -19.228 -0.863 680 2HG GLN 602 1HG GLN 602 -1.810 -20.819 -0.143 681 1HE2 GLN 602 1HE2 GLN 602 0.707 -19.924 0.251 682 2HE2 GLN 602 2HE2 GLN 602 1.816 -20.645 -0.813 683 H ALA 603 H ALA 603 -4.556 -18.103 -4.355 684 HA ALA 603 HA ALA 603 -6.496 -20.330 -4.829 685 1HB ALA 603 2HB ALA 603 -7.329 -18.083 -3.879 686 2HB ALA 603 1HB ALA 603 -6.984 -17.420 -5.477 687 3HB ALA 603 3HB ALA 603 -8.170 -18.713 -5.295 688 H CYS 604 H CYS 604 -5.756 -21.377 -6.643 689 HA CYS 604 HA CYS 604 -4.293 -20.067 -8.755 690 1HB CYS 604 2HB CYS 604 -5.292 -22.759 -8.171 691 2HB CYS 604 1HB CYS 604 -5.381 -22.357 -9.886 692 H GLY 605 H GLY 605 -5.113 -18.806 -10.348 693 1HA GLY 605 2HA GLY 605 -6.753 -18.637 -12.219 694 2HA GLY 605 1HA GLY 605 -7.990 -19.172 -11.081 695 H THR 606 H THR 606 -8.690 -17.685 -9.427 696 HA THR 606 HA THR 606 -8.576 -14.893 -10.293 697 HB THR 606 HB THR 606 -10.647 -15.952 -9.350 698 HG1 THR 606 HG1 THR 606 -9.875 -13.930 -7.576 699 1HG2 THR 606 2HG2 THR 606 -9.020 -17.036 -7.489 700 2HG2 THR 606 1HG2 THR 606 -9.590 -15.628 -6.594 701 3HG2 THR 606 3HG2 THR 606 -10.748 -16.799 -7.226 702 H SER 607 H SER 607 -8.018 -13.154 -8.667 703 HA SER 607 HA SER 607 -6.190 -13.928 -6.502 704 1HB SER 607 2HB SER 607 -4.762 -12.007 -8.093 705 2HB SER 607 1HB SER 607 -4.249 -13.615 -7.592 706 HG SER 607 HG SER 607 -5.270 -14.463 -9.396 707 H THR 608 H THR 608 -7.906 -12.755 -5.354 708 HA THR 608 HA THR 608 -7.682 -9.791 -5.702 709 HB THR 608 HB THR 608 -9.987 -9.967 -4.379 710 HG1 THR 608 HG1 THR 608 -9.980 -12.191 -4.180 711 1HG2 THR 608 3HG2 THR 608 -9.573 -9.007 -6.661 712 2HG2 THR 608 2HG2 THR 608 -9.806 -10.623 -7.329 713 3HG2 THR 608 1HG2 THR 608 -11.136 -9.810 -6.504 714 H ALA 609 H ALA 609 -7.293 -8.573 -3.841 715 HA ALA 609 HA ALA 609 -7.275 -9.939 -1.220 716 1HB ALA 609 1HB ALA 609 -4.837 -9.027 -2.690 717 2HB ALA 609 3HB ALA 609 -4.885 -8.812 -0.944 718 3HB ALA 609 2HB ALA 609 -5.048 -10.421 -1.637 719 H THR 610 H THR 610 -6.622 -8.256 0.511 720 HA THR 610 HA THR 610 -7.443 -5.510 -0.286 721 HB THR 610 HB THR 610 -8.462 -6.850 2.208 722 HG1 THR 610 HG1 THR 610 -9.258 -8.044 0.496 723 1HG2 THR 610 2HG2 THR 610 -8.773 -4.254 0.846 724 2HG2 THR 610 1HG2 THR 610 -10.300 -4.985 1.342 725 3HG2 THR 610 3HG2 THR 610 -9.041 -4.677 2.537 726 H VAL 611 H VAL 611 -6.896 -3.902 1.265 727 HA VAL 611 HA VAL 611 -5.414 -4.389 3.663 728 HB VAL 611 HB VAL 611 -3.870 -3.994 1.135 729 1HG1 VAL 611 1HG1 VAL 611 -3.499 -2.369 3.601 730 2HG1 VAL 611 3HG1 VAL 611 -2.044 -3.113 2.939 731 3HG1 VAL 611 2HG1 VAL 611 -3.007 -2.022 1.943 732 1HG2 VAL 611 2HG2 VAL 611 -3.867 -5.619 3.586 733 2HG2 VAL 611 1HG2 VAL 611 -3.238 -6.007 1.986 734 3HG2 VAL 611 3HG2 VAL 611 -2.263 -5.062 3.109 735 H THR 612 H THR 612 -6.785 -2.874 4.547 736 HA THR 612 HA THR 612 -7.281 -0.312 3.252 737 HB THR 612 HB THR 612 -7.947 -0.587 6.112 738 HG1 THR 612 HG1 THR 612 -9.535 -2.144 5.673 739 1HG2 THR 612 3HG2 THR 612 -8.942 0.634 3.681 740 2HG2 THR 612 2HG2 THR 612 -10.222 -0.264 4.498 741 3HG2 THR 612 1HG2 THR 612 -9.347 1.004 5.357 742 H ASP 613 H ASP 613 -5.293 0.706 3.071 743 HA ASP 613 HA ASP 613 -3.652 1.230 5.448 744 1HB ASP 613 2HB ASP 613 -3.576 2.205 2.583 745 2HB ASP 613 1HB ASP 613 -2.463 2.791 3.821 746 H THR 614 H THR 614 -3.833 3.115 6.688 747 HA THR 614 HA THR 614 -5.991 4.993 5.812 748 HB THR 614 HB THR 614 -4.969 4.369 8.597 749 HG1 THR 614 HG1 THR 614 -6.765 3.263 8.765 750 1HG2 THR 614 1HG2 THR 614 -6.070 6.770 7.528 751 2HG2 THR 614 3HG2 THR 614 -7.302 6.023 8.549 752 3HG2 THR 614 2HG2 THR 614 -5.713 6.395 9.218 753 H TRP 615 H TRP 615 -5.450 7.174 5.557 754 HA TRP 615 HA TRP 615 -2.615 7.794 6.264 755 1HB TRP 615 2HB TRP 615 -2.711 7.815 3.922 756 2HB TRP 615 1HB TRP 615 -4.249 8.648 3.903 757 HD1 TRP 615 HD1 TRP 615 -4.194 11.274 4.743 758 HE1 TRP 615 HE1 TRP 615 -2.293 13.007 4.451 759 HE3 TRP 615 HE3 TRP 615 -0.359 8.124 3.749 760 HZ2 TRP 615 HZ2 TRP 615 0.523 13.021 3.862 761 HZ3 TRP 615 HZ3 TRP 615 1.930 8.983 3.328 762 HH2 TRP 615 HH2 TRP 615 2.369 11.440 3.375 763 H ARG 616 H ARG 616 -5.917 8.748 6.613 764 HA ARG 616 HA ARG 616 -5.461 11.524 7.225 765 1HB ARG 616 2HB ARG 616 -7.701 10.410 6.673 766 2HB ARG 616 1HB ARG 616 -7.707 9.826 8.337 767 1HG ARG 616 2HG ARG 616 -7.821 12.002 9.232 768 2HG ARG 616 1HG ARG 616 -7.269 12.745 7.731 769 1HD ARG 616 2HD ARG 616 -9.352 12.733 6.806 770 2HD ARG 616 1HD ARG 616 -9.759 11.165 7.502 771 HE ARG 616 HE ARG 616 -10.170 13.789 8.790 772 1HH1 ARG 616 1HH2 ARG 616 -9.871 13.142 11.218 773 2HH1 ARG 616 2HH2 ARG 616 -10.922 11.845 11.680 774 1HH2 ARG 616 1HH1 ARG 616 -11.627 10.903 8.418 775 2HH2 ARG 616 2HH1 ARG 616 -11.916 10.578 10.094 No H/Q in entry = 775 Start of MODEL 4 1 1H CYS 509 2H CYS 509 -1.636 -13.541 -15.443 2 2H CYS 509 1H CYS 509 -3.215 -13.523 -14.817 3 3H CYS 509 3H CYS 509 -2.636 -12.190 -15.691 4 HA CYS 509 HA CYS 509 -2.054 -11.272 -13.773 5 1HB CYS 509 2HB CYS 509 -2.274 -12.477 -11.655 6 2HB CYS 509 1HB CYS 509 -3.658 -12.844 -12.683 7 H THR 510 H THR 510 -0.297 -11.764 -11.837 8 HA THR 510 HA THR 510 2.206 -12.229 -13.282 9 HB THR 510 HB THR 510 2.094 -12.001 -10.296 10 HG1 THR 510 HG1 THR 510 0.615 -10.470 -10.840 11 1HG2 THR 510 1HG2 THR 510 4.148 -12.042 -11.997 12 2HG2 THR 510 3HG2 THR 510 3.774 -10.323 -12.111 13 3HG2 THR 510 2HG2 THR 510 4.176 -11.035 -10.549 14 H THR 511 H THR 511 3.462 -13.431 -10.806 15 HA THR 511 HA THR 511 3.523 -16.132 -11.503 16 HB THR 511 HB THR 511 5.022 -15.156 -9.794 17 HG1 THR 511 HG1 THR 511 5.020 -17.259 -9.480 18 1HG2 THR 511 3HG2 THR 511 3.083 -13.802 -8.757 19 2HG2 THR 511 2HG2 THR 511 2.724 -15.267 -7.844 20 3HG2 THR 511 1HG2 THR 511 4.286 -14.470 -7.652 21 HA PRO 512 HA PRO 512 -0.508 -17.586 -10.584 22 1HB PRO 512 2HB PRO 512 0.073 -20.227 -10.021 23 2HB PRO 512 1HB PRO 512 -0.003 -19.557 -11.660 24 1HG PRO 512 2HG PRO 512 2.404 -20.235 -10.014 25 2HG PRO 512 1HG PRO 512 2.199 -20.280 -11.775 26 1HD PRO 512 2HD PRO 512 3.531 -18.253 -10.400 27 2HD PRO 512 1HD PRO 512 2.840 -18.076 -12.025 28 H THR 513 H THR 513 2.121 -18.168 -8.338 29 HA THR 513 HA THR 513 0.236 -18.531 -6.088 30 HB THR 513 HB THR 513 2.196 -19.029 -4.762 31 HG1 THR 513 HG1 THR 513 3.875 -18.506 -6.940 32 1HG2 THR 513 3HG2 THR 513 2.030 -20.230 -7.496 33 2HG2 THR 513 2HG2 THR 513 3.389 -20.674 -6.464 34 3HG2 THR 513 1HG2 THR 513 1.738 -20.976 -5.925 35 H ALA 514 H ALA 514 -0.372 -16.117 -6.931 36 HA ALA 514 HA ALA 514 0.784 -14.333 -4.909 37 1HB ALA 514 2HB ALA 514 1.325 -14.025 -7.840 38 2HB ALA 514 1HB ALA 514 1.137 -12.578 -6.849 39 3HB ALA 514 3HB ALA 514 2.404 -13.747 -6.473 40 H VAL 515 H VAL 515 -0.769 -12.899 -4.207 41 HA VAL 515 HA VAL 515 -3.194 -12.662 -5.904 42 HB VAL 515 HB VAL 515 -2.886 -12.559 -2.920 43 1HG1 VAL 515 1HG1 VAL 515 -4.313 -10.669 -3.676 44 2HG1 VAL 515 3HG1 VAL 515 -5.318 -11.808 -4.570 45 3HG1 VAL 515 2HG1 VAL 515 -5.245 -11.891 -2.810 46 1HG2 VAL 515 2HG2 VAL 515 -3.283 -14.717 -4.339 47 2HG2 VAL 515 1HG2 VAL 515 -4.306 -14.435 -2.931 48 3HG2 VAL 515 3HG2 VAL 515 -4.917 -14.081 -4.549 49 H ALA 516 H ALA 516 -3.968 -10.589 -6.414 50 HA ALA 516 HA ALA 516 -2.062 -8.395 -6.059 51 1HB ALA 516 1HB ALA 516 -3.756 -8.900 -8.056 52 2HB ALA 516 3HB ALA 516 -4.841 -7.924 -7.063 53 3HB ALA 516 2HB ALA 516 -3.315 -7.247 -7.629 54 H VAL 517 H VAL 517 -2.105 -6.999 -4.379 55 HA VAL 517 HA VAL 517 -4.565 -6.990 -2.662 56 HB VAL 517 HB VAL 517 -1.782 -6.303 -1.727 57 1HG1 VAL 517 2HG1 VAL 517 -4.393 -6.428 -0.536 58 2HG1 VAL 517 1HG1 VAL 517 -3.366 -7.672 0.195 59 3HG1 VAL 517 3HG1 VAL 517 -2.858 -5.978 0.211 60 1HG2 VAL 517 2HG2 VAL 517 -2.722 -8.842 -2.668 61 2HG2 VAL 517 1HG2 VAL 517 -1.162 -8.452 -1.942 62 3HG2 VAL 517 3HG2 VAL 517 -2.517 -8.927 -0.918 63 H THR 518 H THR 518 -5.692 -5.122 -2.865 64 HA THR 518 HA THR 518 -4.291 -2.638 -3.632 65 HB THR 518 HB THR 518 -6.885 -1.903 -3.053 66 HG1 THR 518 HG1 THR 518 -8.113 -3.577 -4.065 67 1HG2 THR 518 1HG2 THR 518 -5.199 -1.892 -5.201 68 2HG2 THR 518 3HG2 THR 518 -6.486 -2.956 -5.772 69 3HG2 THR 518 2HG2 THR 518 -6.869 -1.313 -5.245 70 H PHE 519 H PHE 519 -3.660 -1.124 -2.265 71 HA PHE 519 HA PHE 519 -4.297 -1.481 0.638 72 1HB PHE 519 2HB PHE 519 -2.391 0.518 -0.583 73 2HB PHE 519 1HB PHE 519 -2.351 -0.193 1.026 74 HD1 PHE 519 HD1 PHE 519 -1.832 -2.601 1.323 75 HD2 PHE 519 HD2 PHE 519 -1.428 -0.628 -2.482 76 HE1 PHE 519 HE1 PHE 519 -0.459 -4.492 0.499 77 HE2 PHE 519 HE2 PHE 519 -0.044 -2.510 -3.286 78 HZ PHE 519 HZ PHE 519 0.444 -4.447 -1.807 79 H ASP 520 H ASP 520 -6.099 -0.263 1.340 80 HA ASP 520 HA ASP 520 -6.672 2.176 -0.235 81 1HB ASP 520 2HB ASP 520 -8.871 1.956 1.289 82 2HB ASP 520 1HB ASP 520 -8.689 1.155 -0.279 83 H LEU 521 H LEU 521 -6.045 4.054 0.470 84 HA LEU 521 HA LEU 521 -5.600 4.649 3.312 85 1HB LEU 521 2HB LEU 521 -4.684 5.778 0.868 86 2HB LEU 521 1HB LEU 521 -5.434 7.031 1.828 87 HG LEU 521 HG LEU 521 -3.880 6.899 3.428 88 1HD1 LEU 521 1HD1 LEU 521 -3.693 4.036 2.885 89 2HD1 LEU 521 3HD1 LEU 521 -2.289 4.859 3.588 90 3HD1 LEU 521 2HD1 LEU 521 -3.854 4.937 4.404 91 1HD2 LEU 521 2HD2 LEU 521 -2.809 7.516 1.308 92 2HD2 LEU 521 1HD2 LEU 521 -1.670 6.763 2.425 93 3HD2 LEU 521 3HD2 LEU 521 -2.326 5.831 1.079 94 H THR 522 H THR 522 -7.190 5.329 4.580 95 HA THR 522 HA THR 522 -9.412 6.833 3.329 96 HB THR 522 HB THR 522 -9.603 7.361 6.025 97 HG1 THR 522 HG1 THR 522 -7.959 5.987 6.581 98 1HG2 THR 522 2HG2 THR 522 -11.257 6.502 4.273 99 2HG2 THR 522 1HG2 THR 522 -10.733 4.878 4.741 100 3HG2 THR 522 3HG2 THR 522 -11.490 5.938 5.933 101 H ALA 523 H ALA 523 -8.333 8.493 2.356 102 HA ALA 523 HA ALA 523 -7.076 10.502 4.144 103 1HB ALA 523 1HB ALA 523 -5.557 8.698 2.696 104 2HB ALA 523 3HB ALA 523 -5.663 10.075 1.594 105 3HB ALA 523 2HB ALA 523 -5.009 10.299 3.211 106 H THR 524 H THR 524 -8.575 12.132 3.715 107 HA THR 524 HA THR 524 -9.346 12.688 0.909 108 HB THR 524 HB THR 524 -11.034 12.849 2.751 109 HG1 THR 524 HG1 THR 524 -10.956 14.255 0.785 110 1HG2 THR 524 3HG2 THR 524 -8.848 14.237 3.915 111 2HG2 THR 524 2HG2 THR 524 -10.208 15.362 3.805 112 3HG2 THR 524 1HG2 THR 524 -10.397 13.830 4.662 113 H THR 525 H THR 525 -6.649 12.944 1.494 114 HA THR 525 HA THR 525 -6.018 15.782 1.952 115 HB THR 525 HB THR 525 -4.455 13.233 1.641 116 HG1 THR 525 HG1 THR 525 -4.899 13.628 3.699 117 1HG2 THR 525 3HG2 THR 525 -3.333 16.051 1.518 118 2HG2 THR 525 2HG2 THR 525 -2.362 14.601 1.779 119 3HG2 THR 525 1HG2 THR 525 -3.226 14.822 0.258 120 H THR 526 H THR 526 -5.325 17.190 0.349 121 HA THR 526 HA THR 526 -4.902 16.138 -2.401 122 HB THR 526 HB THR 526 -7.321 16.806 -2.129 123 HG1 THR 526 HG1 THR 526 -5.972 17.065 -4.106 124 1HG2 THR 526 3HG2 THR 526 -6.050 19.015 -0.844 125 2HG2 THR 526 2HG2 THR 526 -6.938 19.631 -2.242 126 3HG2 THR 526 1HG2 THR 526 -7.780 18.696 -1.005 127 H TYR 527 H TYR 527 -3.205 17.375 -0.274 128 HA TYR 527 HA TYR 527 -2.617 20.075 -1.237 129 1HB TYR 527 2HB TYR 527 -2.303 18.987 1.176 130 2HB TYR 527 1HB TYR 527 -0.716 18.601 0.511 131 HD1 TYR 527 HD1 TYR 527 -0.377 20.945 -1.338 132 HD2 TYR 527 HD2 TYR 527 -1.760 20.717 2.721 133 HE1 TYR 527 HE1 TYR 527 0.361 23.282 -0.956 134 HE2 TYR 527 HE2 TYR 527 -1.023 23.055 3.105 135 HH TYR 527 HH TYR 527 0.209 25.048 0.456 136 H GLY 528 H GLY 528 -2.354 18.303 -3.341 137 1HA GLY 528 2HA GLY 528 -0.859 17.760 -5.064 138 2HA GLY 528 1HA GLY 528 0.222 18.948 -4.339 139 H GLU 529 H GLU 529 -0.681 16.518 -2.136 140 HA GLU 529 HA GLU 529 2.035 15.340 -2.377 141 1HB GLU 529 2HB GLU 529 0.117 14.524 -0.228 142 2HB GLU 529 1HB GLU 529 1.865 14.747 -0.144 143 1HG GLU 529 2HG GLU 529 1.070 17.282 -0.746 144 2HG GLU 529 1HG GLU 529 -0.306 16.728 0.209 145 H ASN 530 H ASN 530 2.046 12.839 -1.848 146 HA ASN 530 HA ASN 530 -0.307 11.437 -3.034 147 1HB ASN 530 2HB ASN 530 1.765 12.060 -4.707 148 2HB ASN 530 1HB ASN 530 2.353 10.561 -4.011 149 1HD2 ASN 530 2HD2 ASN 530 -0.579 10.405 -6.768 150 2HD2 ASN 530 1HD2 ASN 530 0.197 11.860 -6.364 151 H ILE 531 H ILE 531 -0.480 9.401 -2.102 152 HA ILE 531 HA ILE 531 1.586 8.797 -0.075 153 HB ILE 531 HB ILE 531 -1.127 7.540 -0.550 154 1HG1 ILE 531 2HG1 ILE 531 -1.380 8.607 1.828 155 2HG1 ILE 531 1HG1 ILE 531 -0.032 9.621 1.313 156 1HG2 ILE 531 2HG2 ILE 531 1.169 6.503 0.712 157 2HG2 ILE 531 1HG2 ILE 531 0.106 7.037 2.014 158 3HG2 ILE 531 3HG2 ILE 531 -0.479 5.879 0.819 159 1HD1 ILE 531 3HD1 ILE 531 -2.436 9.237 -0.438 160 2HD1 ILE 531 2HD1 ILE 531 -2.419 10.462 0.833 161 3HD1 ILE 531 1HD1 ILE 531 -1.236 10.529 -0.476 162 H TYR 532 H TYR 532 3.239 7.663 -0.878 163 HA TYR 532 HA TYR 532 2.773 5.711 -2.995 164 1HB TYR 532 2HB TYR 532 5.235 6.528 -1.497 165 2HB TYR 532 1HB TYR 532 5.229 5.166 -2.593 166 HD1 TYR 532 HD2 TYR 532 3.705 8.570 -2.636 167 HD2 TYR 532 HD1 TYR 532 6.136 5.674 -4.677 168 HE1 TYR 532 HE2 TYR 532 4.031 10.162 -4.526 169 HE2 TYR 532 HE1 TYR 532 6.454 7.260 -6.558 170 HH TYR 532 HH TYR 532 6.355 9.973 -6.717 171 H LEU 533 H LEU 533 4.313 3.569 -2.282 172 HA LEU 533 HA LEU 533 3.619 2.693 0.424 173 1HB LEU 533 2HB LEU 533 1.486 2.270 -0.622 174 2HB LEU 533 1HB LEU 533 2.260 1.520 -2.016 175 HG LEU 533 HG LEU 533 3.266 -0.095 -0.150 176 1HD1 LEU 533 1HD1 LEU 533 1.767 1.484 1.469 177 2HD1 LEU 533 3HD1 LEU 533 0.593 0.227 1.084 178 3HD1 LEU 533 2HD1 LEU 533 2.133 -0.204 1.828 179 1HD2 LEU 533 1HD2 LEU 533 0.661 -0.089 -1.613 180 2HD2 LEU 533 3HD2 LEU 533 2.040 -1.172 -1.788 181 3HD2 LEU 533 2HD2 LEU 533 0.934 -1.366 -0.428 182 H VAL 534 H VAL 534 5.336 1.521 1.049 183 HA VAL 534 HA VAL 534 6.796 0.003 -1.068 184 HB VAL 534 HB VAL 534 8.282 1.578 -0.112 185 1HG1 VAL 534 3HG1 VAL 534 6.728 1.167 2.247 186 2HG1 VAL 534 2HG1 VAL 534 8.448 1.013 2.589 187 3HG1 VAL 534 1HG1 VAL 534 7.832 2.483 1.840 188 1HG2 VAL 534 2HG2 VAL 534 8.755 -1.017 1.296 189 2HG2 VAL 534 1HG2 VAL 534 9.301 -0.578 -0.317 190 3HG2 VAL 534 3HG2 VAL 534 9.928 0.280 1.074 191 H GLY 535 H GLY 535 7.843 -2.141 0.141 192 1HA GLY 535 2HA GLY 535 5.570 -3.152 1.830 193 2HA GLY 535 1HA GLY 535 6.075 -4.037 0.409 194 H SER 536 H SER 536 5.968 -5.525 2.466 195 HA SER 536 HA SER 536 8.487 -5.581 3.976 196 1HB SER 536 2HB SER 536 6.823 -6.236 5.424 197 2HB SER 536 1HB SER 536 5.857 -6.955 4.139 198 HG SER 536 HG SER 536 6.751 -8.784 4.610 199 H ILE 537 H ILE 537 7.968 -6.344 0.951 200 HA ILE 537 HA ILE 537 9.867 -8.605 1.059 201 HB ILE 537 HB ILE 537 8.556 -10.039 -0.346 202 1HG1 ILE 537 2HG1 ILE 537 6.932 -7.545 -0.734 203 2HG1 ILE 537 1HG1 ILE 537 7.523 -8.688 -1.934 204 1HG2 ILE 537 3HG2 ILE 537 7.909 -9.675 2.176 205 2HG2 ILE 537 2HG2 ILE 537 6.440 -8.959 1.508 206 3HG2 ILE 537 1HG2 ILE 537 6.851 -10.636 1.144 207 1HD1 ILE 537 2HD1 ILE 537 5.891 -10.349 -0.640 208 2HD1 ILE 537 1HD1 ILE 537 5.077 -8.840 -0.231 209 3HD1 ILE 537 3HD1 ILE 537 5.299 -9.292 -1.922 210 H SER 538 H SER 538 11.103 -8.752 -0.915 211 HA SER 538 HA SER 538 11.974 -6.449 -2.074 212 1HB SER 538 2HB SER 538 12.141 -7.944 -4.280 213 2HB SER 538 1HB SER 538 13.204 -8.181 -2.894 214 HG SER 538 HG SER 538 11.067 -9.711 -3.815 215 H GLN 539 H GLN 539 8.957 -8.060 -2.925 216 HA GLN 539 HA GLN 539 8.252 -7.044 -5.348 217 1HB GLN 539 2HB GLN 539 6.690 -7.318 -2.845 218 2HB GLN 539 1HB GLN 539 5.930 -6.624 -4.260 219 1HG GLN 539 2HG GLN 539 7.406 -8.969 -5.028 220 2HG GLN 539 1HG GLN 539 6.324 -9.372 -3.694 221 1HE2 GLN 539 2HE2 GLN 539 4.334 -7.584 -6.796 222 2HE2 GLN 539 1HE2 GLN 539 5.685 -6.821 -6.106 223 H LEU 540 H LEU 540 7.966 -5.163 -2.327 224 HA LEU 540 HA LEU 540 7.611 -2.732 -3.968 225 1HB LEU 540 2HB LEU 540 6.938 -3.425 -1.106 226 2HB LEU 540 1HB LEU 540 7.294 -1.735 -1.549 227 HG LEU 540 HG LEU 540 5.255 -3.482 -2.960 228 1HD1 LEU 540 2HD1 LEU 540 4.881 -2.496 -0.536 229 2HD1 LEU 540 1HD1 LEU 540 4.570 -1.008 -1.433 230 3HD1 LEU 540 3HD1 LEU 540 3.598 -2.451 -1.744 231 1HD2 LEU 540 1HD2 LEU 540 6.644 -1.139 -3.779 232 2HD2 LEU 540 3HD2 LEU 540 5.300 -1.941 -4.593 233 3HD2 LEU 540 2HD2 LEU 540 4.985 -0.665 -3.418 234 H GLY 541 H GLY 541 10.114 -3.887 -3.973 235 1HA GLY 541 2HA GLY 541 12.341 -3.142 -3.892 236 2HA GLY 541 1HA GLY 541 11.747 -1.637 -3.197 237 H ASP 542 H ASP 542 10.808 -4.521 -1.546 238 HA ASP 542 HA ASP 542 11.696 -5.547 0.392 239 1HB ASP 542 2HB ASP 542 13.965 -3.590 0.436 240 2HB ASP 542 1HB ASP 542 13.925 -5.245 1.047 241 H TRP 543 H TRP 543 12.539 -2.155 0.588 242 HA TRP 543 HA TRP 543 10.422 -1.370 2.226 243 1HB TRP 543 2HB TRP 543 12.817 -2.378 3.707 244 2HB TRP 543 1HB TRP 543 12.011 -0.929 4.328 245 HD1 TRP 543 HD1 TRP 543 11.887 -4.276 5.209 246 HE1 TRP 543 HE1 TRP 543 9.515 -5.176 5.687 247 HE3 TRP 543 HE3 TRP 543 9.091 -0.564 3.140 248 HZ2 TRP 543 HZ2 TRP 543 6.785 -4.413 5.162 249 HZ3 TRP 543 HZ3 TRP 543 6.626 -0.674 3.130 250 HH2 TRP 543 HH2 TRP 543 5.476 -2.603 4.171 251 H GLU 544 H GLU 544 11.707 -0.413 0.000 252 HA GLU 544 HA GLU 544 12.986 2.082 1.051 253 1HB GLU 544 2HB GLU 544 13.364 0.505 -1.473 254 2HB GLU 544 1HB GLU 544 13.575 2.256 -1.532 255 1HG GLU 544 2HG GLU 544 15.467 2.209 -0.245 256 2HG GLU 544 1HG GLU 544 14.892 0.859 0.733 257 H THR 545 H THR 545 11.858 3.974 0.638 258 HA THR 545 HA THR 545 9.176 3.602 -0.455 259 HB THR 545 HB THR 545 9.219 5.144 1.352 260 HG1 THR 545 HG1 THR 545 8.474 5.920 -0.993 261 1HG2 THR 545 3HG2 THR 545 11.534 6.480 -0.069 262 2HG2 THR 545 2HG2 THR 545 10.731 7.132 1.360 263 3HG2 THR 545 1HG2 THR 545 11.599 5.605 1.459 264 H SER 546 H SER 546 12.278 4.759 -1.553 265 HA SER 546 HA SER 546 11.244 6.133 -3.881 266 1HB SER 546 2HB SER 546 13.821 5.715 -4.452 267 2HB SER 546 1HB SER 546 13.320 6.994 -3.360 268 HG SER 546 HG SER 546 14.703 5.920 -2.129 269 H ASP 547 H ASP 547 11.581 2.969 -2.954 270 HA ASP 547 HA ASP 547 11.599 2.043 -5.779 271 1HB ASP 547 2HB ASP 547 12.899 0.925 -3.334 272 2HB ASP 547 1HB ASP 547 12.269 -0.215 -4.521 273 H GLY 548 H GLY 548 9.755 2.538 -3.096 274 1HA GLY 548 2HA GLY 548 8.100 0.167 -3.083 275 2HA GLY 548 1HA GLY 548 7.656 1.735 -2.387 276 H ILE 549 H ILE 549 5.732 2.347 -3.378 277 HA ILE 549 HA ILE 549 5.801 2.769 -6.266 278 HB ILE 549 HB ILE 549 3.948 0.705 -5.044 279 1HG1 ILE 549 2HG1 ILE 549 6.022 0.670 -7.258 280 2HG1 ILE 549 1HG1 ILE 549 6.060 -0.231 -5.741 281 1HG2 ILE 549 3HG2 ILE 549 3.828 2.087 -7.742 282 2HG2 ILE 549 2HG2 ILE 549 2.934 0.619 -7.347 283 3HG2 ILE 549 1HG2 ILE 549 2.597 2.117 -6.479 284 1HD1 ILE 549 2HD1 ILE 549 4.037 -1.475 -6.436 285 2HD1 ILE 549 1HD1 ILE 549 4.029 -0.593 -7.963 286 3HD1 ILE 549 3HD1 ILE 549 5.354 -1.694 -7.588 287 H ALA 550 H ALA 550 4.703 4.572 -6.715 288 HA ALA 550 HA ALA 550 3.282 6.003 -4.693 289 1HB ALA 550 1HB ALA 550 4.316 6.651 -7.146 290 2HB ALA 550 3HB ALA 550 2.577 6.712 -7.432 291 3HB ALA 550 2HB ALA 550 3.291 7.697 -6.159 292 H LEU 551 H LEU 551 1.092 6.238 -4.334 293 HA LEU 551 HA LEU 551 -0.581 4.188 -5.656 294 1HB LEU 551 2HB LEU 551 -0.942 5.734 -3.094 295 2HB LEU 551 1HB LEU 551 -2.227 4.783 -3.812 296 HG LEU 551 HG LEU 551 -0.462 2.858 -3.836 297 1HD1 LEU 551 1HD1 LEU 551 1.218 4.734 -3.050 298 2HD1 LEU 551 3HD1 LEU 551 0.627 4.275 -1.458 299 3HD1 LEU 551 2HD1 LEU 551 1.383 3.073 -2.506 300 1HD2 LEU 551 3HD2 LEU 551 -1.909 3.960 -1.427 301 2HD2 LEU 551 2HD2 LEU 551 -2.365 2.596 -2.447 302 3HD2 LEU 551 1HD2 LEU 551 -1.004 2.450 -1.335 303 H SER 552 H SER 552 -3.059 5.073 -5.567 304 HA SER 552 HA SER 552 -3.011 7.818 -6.684 305 1HB SER 552 2HB SER 552 -2.856 6.422 -8.558 306 2HB SER 552 1HB SER 552 -4.153 5.396 -7.988 307 HG SER 552 HG SER 552 -4.550 7.220 -9.619 308 H ALA 553 H ALA 553 -5.462 8.449 -7.153 309 HA ALA 553 HA ALA 553 -7.054 7.554 -4.790 310 1HB ALA 553 2HB ALA 553 -6.010 9.827 -4.549 311 2HB ALA 553 1HB ALA 553 -6.930 10.338 -5.966 312 3HB ALA 553 3HB ALA 553 -7.778 9.849 -4.501 313 H ASP 554 H ASP 554 -7.332 6.409 -7.347 314 HA ASP 554 HA ASP 554 -9.193 7.577 -9.072 315 1HB ASP 554 2HB ASP 554 -9.232 5.508 -10.058 316 2HB ASP 554 1HB ASP 554 -7.788 5.322 -9.093 317 H LYS 555 H LYS 555 -9.840 5.426 -6.271 318 HA LYS 555 HA LYS 555 -12.728 6.074 -6.507 319 1HB LYS 555 2HB LYS 555 -11.144 3.875 -5.379 320 2HB LYS 555 1HB LYS 555 -12.448 4.409 -4.318 321 1HG LYS 555 2HG LYS 555 -14.073 4.143 -6.126 322 2HG LYS 555 1HG LYS 555 -12.786 3.695 -7.246 323 1HD LYS 555 2HD LYS 555 -12.380 1.644 -6.146 324 2HD LYS 555 1HD LYS 555 -13.230 2.159 -4.688 325 1HE LYS 555 2HE LYS 555 -14.414 1.405 -7.364 326 2HE LYS 555 1HE LYS 555 -14.733 0.678 -5.788 327 1HZ LYS 555 2HZ LYS 555 -15.500 3.060 -5.189 328 2HZ LYS 555 1HZ LYS 555 -15.664 3.249 -6.870 329 3HZ LYS 555 3HZ LYS 555 -16.542 2.042 -6.065 330 H TYR 556 H TYR 556 -10.389 7.812 -5.379 331 HA TYR 556 HA TYR 556 -11.724 8.446 -2.782 332 1HB TYR 556 2HB TYR 556 -9.600 7.855 -2.091 333 2HB TYR 556 1HB TYR 556 -8.865 8.298 -3.621 334 HD1 TYR 556 HD2 TYR 556 -11.077 10.679 -1.783 335 HD2 TYR 556 HD1 TYR 556 -7.038 9.473 -2.602 336 HE1 TYR 556 HE2 TYR 556 -10.272 12.746 -0.753 337 HE2 TYR 556 HE1 TYR 556 -6.230 11.592 -1.622 338 HH TYR 556 HH TYR 556 -8.462 14.134 -0.689 339 H THR 557 H THR 557 -12.829 10.330 -2.878 340 HA THR 557 HA THR 557 -11.651 12.564 -4.408 341 HB THR 557 HB THR 557 -13.128 11.944 -6.089 342 HG1 THR 557 HG1 THR 557 -15.093 13.196 -5.729 343 1HG2 THR 557 3HG2 THR 557 -14.647 10.737 -3.821 344 2HG2 THR 557 2HG2 THR 557 -15.548 11.166 -5.275 345 3HG2 THR 557 1HG2 THR 557 -14.200 10.033 -5.376 346 H SER 558 H SER 558 -14.971 12.564 -3.264 347 HA SER 558 HA SER 558 -14.082 14.291 -0.986 348 1HB SER 558 2HB SER 558 -15.719 14.974 -3.211 349 2HB SER 558 1HB SER 558 -16.760 14.927 -1.790 350 HG SER 558 HG SER 558 -15.241 16.296 -0.752 351 H SER 559 H SER 559 -16.538 12.000 -2.159 352 HA SER 559 HA SER 559 -17.981 11.889 0.341 353 1HB SER 559 2HB SER 559 -18.113 10.615 -2.253 354 2HB SER 559 1HB SER 559 -18.286 9.414 -0.978 355 HG SER 559 HG SER 559 -19.791 11.119 -0.062 356 H ASP 560 H ASP 560 -16.369 9.074 -1.063 357 HA ASP 560 HA ASP 560 -15.235 8.503 1.643 358 1HB ASP 560 2HB ASP 560 -16.768 6.765 0.973 359 2HB ASP 560 1HB ASP 560 -16.030 6.660 -0.626 360 HA PRO 561 HA PRO 561 -11.531 9.316 -0.788 361 1HB PRO 561 2HB PRO 561 -10.040 10.123 1.371 362 2HB PRO 561 1HB PRO 561 -11.099 11.207 0.443 363 1HG PRO 561 2HG PRO 561 -11.478 10.074 3.145 364 2HG PRO 561 1HG PRO 561 -12.230 11.497 2.401 365 1HD PRO 561 2HD PRO 561 -13.428 8.908 2.747 366 2HD PRO 561 1HD PRO 561 -14.110 10.290 1.862 367 H LEU 562 H LEU 562 -11.019 7.126 -1.201 368 HA LEU 562 HA LEU 562 -9.140 6.082 0.785 369 1HB LEU 562 2HB LEU 562 -9.882 3.720 0.348 370 2HB LEU 562 1HB LEU 562 -10.978 4.690 1.314 371 HG LEU 562 HG LEU 562 -12.333 3.466 -0.174 372 1HD1 LEU 562 1HD1 LEU 562 -12.567 6.116 -0.166 373 2HD1 LEU 562 3HD1 LEU 562 -12.156 5.905 -1.873 374 3HD1 LEU 562 2HD1 LEU 562 -13.569 5.097 -1.200 375 1HD2 LEU 562 1HD2 LEU 562 -10.079 3.261 -1.678 376 2HD2 LEU 562 3HD2 LEU 562 -11.686 2.744 -2.207 377 3HD2 LEU 562 2HD2 LEU 562 -11.074 4.328 -2.687 378 H TRP 563 H TRP 563 -7.267 6.150 -0.161 379 HA TRP 563 HA TRP 563 -6.853 6.148 -3.041 380 1HB TRP 563 2HB TRP 563 -5.036 5.747 -0.707 381 2HB TRP 563 1HB TRP 563 -4.462 5.701 -2.313 382 HD1 TRP 563 HD1 TRP 563 -6.306 8.467 -0.128 383 HE1 TRP 563 HE1 TRP 563 -5.103 10.638 -0.748 384 HE3 TRP 563 HE3 TRP 563 -3.130 6.703 -3.651 385 HZ2 TRP 563 HZ2 TRP 563 -3.080 11.545 -2.596 386 HZ3 TRP 563 HZ3 TRP 563 -1.579 8.222 -4.825 387 HH2 TRP 563 HH2 TRP 563 -1.561 10.594 -4.318 388 H TYR 564 H TYR 564 -4.822 4.463 -3.528 389 HA TYR 564 HA TYR 564 -4.332 2.220 -2.312 390 1HB TYR 564 2HB TYR 564 -5.833 0.401 -3.089 391 2HB TYR 564 1HB TYR 564 -6.570 1.488 -1.936 392 HD1 TYR 564 HD2 TYR 564 -6.142 1.023 -5.603 393 HD2 TYR 564 HD1 TYR 564 -8.609 2.340 -2.372 394 HE1 TYR 564 HE2 TYR 564 -7.997 1.387 -7.175 395 HE2 TYR 564 HE1 TYR 564 -10.466 2.703 -3.918 396 HH TYR 564 HH TYR 564 -10.397 1.580 -7.196 397 H VAL 565 H VAL 565 -3.839 0.369 -3.340 398 HA VAL 565 HA VAL 565 -3.375 0.381 -6.230 399 HB VAL 565 HB VAL 565 -1.091 0.708 -4.282 400 1HG1 VAL 565 3HG1 VAL 565 -1.174 -0.867 -6.630 401 2HG1 VAL 565 2HG1 VAL 565 -0.423 0.659 -7.100 402 3HG1 VAL 565 1HG1 VAL 565 0.271 -0.299 -5.791 403 1HG2 VAL 565 1HG2 VAL 565 -2.433 2.221 -6.441 404 2HG2 VAL 565 3HG2 VAL 565 -1.926 2.752 -4.840 405 3HG2 VAL 565 2HG2 VAL 565 -0.720 2.484 -6.113 406 H THR 566 H THR 566 -3.442 -1.607 -6.881 407 HA THR 566 HA THR 566 -3.429 -3.767 -4.894 408 HB THR 566 HB THR 566 -5.110 -3.715 -6.736 409 HG1 THR 566 HG1 THR 566 -4.873 -5.867 -7.259 410 1HG2 THR 566 3HG2 THR 566 -2.749 -3.138 -8.199 411 2HG2 THR 566 2HG2 THR 566 -3.435 -4.629 -8.854 412 3HG2 THR 566 1HG2 THR 566 -4.414 -3.159 -8.792 413 H VAL 567 H VAL 567 -1.108 -3.545 -4.415 414 HA VAL 567 HA VAL 567 0.852 -4.057 -6.499 415 HB VAL 567 HB VAL 567 1.034 -3.986 -3.482 416 1HG1 VAL 567 3HG1 VAL 567 2.883 -5.227 -5.448 417 2HG1 VAL 567 2HG1 VAL 567 3.639 -4.159 -4.255 418 3HG1 VAL 567 1HG1 VAL 567 2.687 -5.550 -3.723 419 1HG2 VAL 567 3HG2 VAL 567 2.314 -2.356 -5.701 420 2HG2 VAL 567 2HG2 VAL 567 0.978 -1.822 -4.676 421 3HG2 VAL 567 1HG2 VAL 567 2.574 -2.102 -3.975 422 H THR 568 H THR 568 1.312 -6.027 -7.290 423 HA THR 568 HA THR 568 -0.025 -8.373 -6.431 424 HB THR 568 HB THR 568 2.147 -9.383 -7.661 425 HG1 THR 568 HG1 THR 568 3.184 -7.950 -8.790 426 1HG2 THR 568 1HG2 THR 568 -0.318 -8.068 -8.777 427 2HG2 THR 568 3HG2 THR 568 0.836 -8.886 -9.831 428 3HG2 THR 568 2HG2 THR 568 0.012 -9.788 -8.557 429 H LEU 569 H LEU 569 0.712 -10.157 -5.306 430 HA LEU 569 HA LEU 569 3.280 -10.035 -3.856 431 1HB LEU 569 2HB LEU 569 0.593 -10.265 -2.435 432 2HB LEU 569 1HB LEU 569 2.169 -10.435 -1.665 433 HG LEU 569 HG LEU 569 1.179 -7.929 -3.080 434 1HD1 LEU 569 2HD1 LEU 569 0.456 -8.848 -0.560 435 2HD1 LEU 569 1HD1 LEU 569 1.825 -7.787 -0.203 436 3HD1 LEU 569 3HD1 LEU 569 0.422 -7.162 -1.078 437 1HD2 LEU 569 1HD2 LEU 569 3.658 -8.358 -3.146 438 2HD2 LEU 569 3HD2 LEU 569 3.214 -6.899 -2.253 439 3HD2 LEU 569 2HD2 LEU 569 3.645 -8.376 -1.386 440 HA PRO 570 HA PRO 570 3.051 -14.299 -4.774 441 1HB PRO 570 2HB PRO 570 4.446 -15.376 -2.644 442 2HB PRO 570 1HB PRO 570 5.187 -14.608 -4.058 443 1HG PRO 570 2HG PRO 570 4.816 -13.514 -1.308 444 2HG PRO 570 1HG PRO 570 6.075 -13.159 -2.499 445 1HD PRO 570 2HD PRO 570 3.907 -11.475 -1.969 446 2HD PRO 570 1HD PRO 570 4.866 -11.449 -3.458 447 H ALA 571 H ALA 571 2.751 -16.524 -3.232 448 HA ALA 571 HA ALA 571 0.004 -16.085 -2.230 449 1HB ALA 571 2HB ALA 571 0.930 -17.888 -4.003 450 2HB ALA 571 1HB ALA 571 1.013 -18.843 -2.524 451 3HB ALA 571 3HB ALA 571 -0.521 -18.139 -3.035 452 H GLY 572 H GLY 572 -0.755 -17.680 -0.560 453 1HA GLY 572 2HA GLY 572 -0.760 -17.950 1.797 454 2HA GLY 572 1HA GLY 572 0.512 -19.081 1.350 455 H GLU 573 H GLU 573 0.148 -15.527 1.900 456 HA GLU 573 HA GLU 573 2.509 -15.749 3.683 457 1HB GLU 573 2HB GLU 573 2.615 -14.704 1.004 458 2HB GLU 573 1HB GLU 573 3.045 -13.458 2.178 459 1HG GLU 573 2HG GLU 573 5.101 -14.407 2.190 460 2HG GLU 573 1HG GLU 573 4.360 -15.691 3.147 461 H SER 574 H SER 574 2.260 -14.545 5.450 462 HA SER 574 HA SER 574 0.039 -12.608 5.602 463 1HB SER 574 2HB SER 574 0.211 -13.908 7.574 464 2HB SER 574 1HB SER 574 1.969 -13.811 7.590 465 HG SER 574 HG SER 574 1.211 -12.382 9.107 466 H PHE 575 H PHE 575 1.601 -11.638 3.802 467 HA PHE 575 HA PHE 575 3.956 -10.327 4.161 468 1HB PHE 575 2HB PHE 575 1.510 -9.166 2.808 469 2HB PHE 575 1HB PHE 575 3.187 -8.708 2.506 470 HD1 PHE 575 HD1 PHE 575 4.740 -10.233 1.428 471 HD2 PHE 575 HD2 PHE 575 0.602 -11.312 1.951 472 HE1 PHE 575 HE1 PHE 575 5.002 -12.045 -0.227 473 HE2 PHE 575 HE2 PHE 575 0.880 -13.122 0.291 474 HZ PHE 575 HZ PHE 575 3.067 -13.490 -0.802 475 H GLU 576 H GLU 576 4.142 -7.831 4.198 476 HA GLU 576 HA GLU 576 2.490 -6.547 6.291 477 1HB GLU 576 2HB GLU 576 5.390 -6.080 6.608 478 2HB GLU 576 1HB GLU 576 4.148 -6.299 7.839 479 1HG GLU 576 2HG GLU 576 4.164 -8.724 7.455 480 2HG GLU 576 1HG GLU 576 5.363 -8.526 6.177 481 H TYR 577 H TYR 577 1.803 -4.868 5.025 482 HA TYR 577 HA TYR 577 3.896 -3.430 3.449 483 1HB TYR 577 2HB TYR 577 1.053 -4.164 2.808 484 2HB TYR 577 1HB TYR 577 1.771 -2.724 2.073 485 HD1 TYR 577 HD1 TYR 577 2.354 -6.414 2.574 486 HD2 TYR 577 HD2 TYR 577 3.254 -2.897 0.289 487 HE1 TYR 577 HE1 TYR 577 3.703 -7.777 1.009 488 HE2 TYR 577 HE2 TYR 577 4.590 -4.289 -1.290 489 HH TYR 577 HH TYR 577 5.287 -6.286 -1.815 490 H LYS 578 H LYS 578 3.700 -1.089 3.362 491 HA LYS 578 HA LYS 578 1.723 0.120 5.198 492 1HB LYS 578 2HB LYS 578 3.713 1.401 6.280 493 2HB LYS 578 1HB LYS 578 3.323 -0.221 6.838 494 1HG LYS 578 2HG LYS 578 5.704 -0.162 6.499 495 2HG LYS 578 1HG LYS 578 5.015 -1.104 5.177 496 1HD LYS 578 2HD LYS 578 6.749 0.626 4.490 497 2HD LYS 578 1HD LYS 578 5.201 0.738 3.652 498 1HE LYS 578 2HE LYS 578 4.486 2.536 5.098 499 2HE LYS 578 1HE LYS 578 5.918 2.348 6.107 500 1HZ LYS 578 1HZ LYS 578 7.059 2.696 3.753 501 2HZ LYS 578 3HZ LYS 578 5.639 3.582 3.487 502 3HZ LYS 578 2HZ LYS 578 6.663 3.992 4.778 503 H PHE 579 H PHE 579 1.811 2.502 5.198 504 HA PHE 579 HA PHE 579 2.272 3.479 2.460 505 1HB PHE 579 2HB PHE 579 0.600 5.005 2.901 506 2HB PHE 579 1HB PHE 579 0.169 3.763 4.051 507 HD1 PHE 579 HD2 PHE 579 1.668 7.101 3.650 508 HD2 PHE 579 HD1 PHE 579 0.533 4.041 6.444 509 HE1 PHE 579 HE2 PHE 579 1.935 8.709 5.519 510 HE2 PHE 579 HE1 PHE 579 0.800 5.649 8.313 511 HZ PHE 579 HZ PHE 579 1.502 7.982 7.851 512 H ILE 580 H ILE 580 2.996 5.755 2.190 513 HA ILE 580 HA ILE 580 5.077 6.751 4.122 514 HB ILE 580 HB ILE 580 6.236 7.206 1.683 515 1HG1 ILE 580 2HG1 ILE 580 5.311 4.336 1.602 516 2HG1 ILE 580 1HG1 ILE 580 4.502 5.621 0.694 517 1HG2 ILE 580 1HG2 ILE 580 6.907 5.941 4.017 518 2HG2 ILE 580 3HG2 ILE 580 7.116 4.669 2.810 519 3HG2 ILE 580 2HG2 ILE 580 7.965 6.211 2.621 520 1HD1 ILE 580 1HD1 ILE 580 6.774 6.207 -0.265 521 2HD1 ILE 580 3HD1 ILE 580 7.372 4.706 0.436 522 3HD1 ILE 580 2HD1 ILE 580 6.113 4.661 -0.800 523 H ARG 581 H ARG 581 5.167 9.024 4.022 524 HA ARG 581 HA ARG 581 3.118 10.422 2.395 525 1HB ARG 581 2HB ARG 581 3.218 11.212 4.659 526 2HB ARG 581 1HB ARG 581 4.979 11.237 4.641 527 1HG ARG 581 2HG ARG 581 5.050 13.309 3.743 528 2HG ARG 581 1HG ARG 581 3.818 12.913 2.544 529 1HD ARG 581 2HD ARG 581 2.125 13.744 3.822 530 2HD ARG 581 1HD ARG 581 2.823 13.124 5.319 531 HE ARG 581 HE ARG 581 3.788 15.626 3.988 532 1HH1 ARG 581 1HH2 ARG 581 5.692 15.698 5.761 533 2HH1 ARG 581 2HH2 ARG 581 5.037 15.994 7.337 534 1HH2 ARG 581 2HH1 ARG 581 1.799 15.132 6.443 535 2HH2 ARG 581 1HH1 ARG 581 2.833 15.673 7.722 536 H ILE 582 H ILE 582 3.974 10.561 0.246 537 HA ILE 582 HA ILE 582 6.822 11.408 0.095 538 HB ILE 582 HB ILE 582 5.015 10.220 -2.025 539 1HG1 ILE 582 2HG1 ILE 582 6.511 8.251 -1.779 540 2HG1 ILE 582 1HG1 ILE 582 7.379 9.065 -0.482 541 1HG2 ILE 582 1HG2 ILE 582 7.040 11.884 -2.594 542 2HG2 ILE 582 3HG2 ILE 582 7.982 10.413 -2.343 543 3HG2 ILE 582 2HG2 ILE 582 6.706 10.445 -3.562 544 1HD1 ILE 582 3HD1 ILE 582 4.420 8.848 -0.240 545 2HD1 ILE 582 2HD1 ILE 582 5.380 7.399 0.047 546 3HD1 ILE 582 1HD1 ILE 582 5.656 8.844 1.013 547 H GLU 583 H GLU 583 7.233 13.435 -0.225 548 HA GLU 583 HA GLU 583 5.282 15.424 -0.952 549 1HB GLU 583 2HB GLU 583 8.120 15.280 -0.195 550 2HB GLU 583 1HB GLU 583 7.772 16.576 -1.332 551 1HG GLU 583 2HG GLU 583 6.610 17.766 0.225 552 2HG GLU 583 1HG GLU 583 5.789 16.327 0.833 553 H SER 584 H SER 584 6.357 17.063 -2.810 554 HA SER 584 HA SER 584 5.806 15.812 -5.288 555 1HB SER 584 2HB SER 584 7.534 18.248 -4.784 556 2HB SER 584 1HB SER 584 6.836 17.797 -6.336 557 HG SER 584 HG SER 584 5.718 19.101 -4.250 558 H ASP 585 H ASP 585 8.531 15.750 -3.299 559 HA ASP 585 HA ASP 585 10.185 14.508 -5.448 560 1HB ASP 585 2HB ASP 585 12.104 14.990 -3.852 561 2HB ASP 585 1HB ASP 585 11.333 16.418 -4.539 562 H ASP 586 H ASP 586 11.949 13.135 -3.850 563 HA ASP 586 HA ASP 586 10.281 10.920 -2.938 564 1HB ASP 586 2HB ASP 586 12.330 9.639 -2.871 565 2HB ASP 586 1HB ASP 586 12.324 10.581 -4.362 566 H SER 587 H SER 587 10.872 13.610 -1.347 567 HA SER 587 HA SER 587 12.100 12.508 1.099 568 1HB SER 587 2HB SER 587 10.546 15.084 0.652 569 2HB SER 587 1HB SER 587 11.414 14.665 2.126 570 HG SER 587 HG SER 587 13.270 15.031 1.146 571 H VAL 588 H VAL 588 10.826 11.523 2.811 572 HA VAL 588 HA VAL 588 7.929 11.943 2.563 573 HB VAL 588 HB VAL 588 7.321 9.810 1.863 574 1HG1 VAL 588 1HG1 VAL 588 10.075 10.262 0.778 575 2HG1 VAL 588 3HG1 VAL 588 9.040 8.937 0.262 576 3HG1 VAL 588 2HG1 VAL 588 8.529 10.611 0.001 577 1HG2 VAL 588 1HG2 VAL 588 9.740 8.948 3.333 578 2HG2 VAL 588 3HG2 VAL 588 8.110 8.274 3.318 579 3HG2 VAL 588 2HG2 VAL 588 9.189 7.967 1.967 580 H GLU 589 H GLU 589 6.758 10.267 3.936 581 HA GLU 589 HA GLU 589 8.068 9.933 6.595 582 1HB GLU 589 2HB GLU 589 5.099 10.441 6.253 583 2HB GLU 589 1HB GLU 589 6.044 10.497 7.738 584 1HG GLU 589 2HG GLU 589 7.326 12.434 6.736 585 2HG GLU 589 1HG GLU 589 6.131 12.462 5.442 586 H TRP 590 H TRP 590 6.799 8.134 7.801 587 HA TRP 590 HA TRP 590 6.094 6.165 5.712 588 1HB TRP 590 2HB TRP 590 8.363 6.427 7.544 589 2HB TRP 590 1HB TRP 590 7.703 4.846 7.339 590 HD1 TRP 590 HD1 TRP 590 8.750 7.733 4.998 591 HE1 TRP 590 HE1 TRP 590 10.051 6.694 3.031 592 HE3 TRP 590 HE3 TRP 590 8.214 2.823 6.144 593 HZ2 TRP 590 HZ2 TRP 590 10.766 4.073 2.089 594 HZ3 TRP 590 HZ3 TRP 590 9.213 1.059 4.709 595 HH2 TRP 590 HH2 TRP 590 10.477 1.685 2.669 596 H GLU 591 H GLU 591 5.890 4.037 6.739 597 HA GLU 591 HA GLU 591 3.606 3.412 8.004 598 1HB GLU 591 2HB GLU 591 5.011 1.593 9.260 599 2HB GLU 591 1HB GLU 591 4.982 1.539 7.519 600 1HG GLU 591 2HG GLU 591 7.195 1.906 7.399 601 2HG GLU 591 1HG GLU 591 7.060 3.328 8.433 602 H SER 592 H SER 592 2.698 3.572 10.043 603 HA SER 592 HA SER 592 4.119 5.061 12.122 604 1HB SER 592 2HB SER 592 1.495 4.714 11.793 605 2HB SER 592 1HB SER 592 1.789 3.222 12.683 606 HG SER 592 HG SER 592 1.623 5.745 13.590 607 H ASP 593 H ASP 593 3.232 2.791 14.111 608 HA ASP 593 HA ASP 593 5.672 1.212 13.551 609 1HB ASP 593 2HB ASP 593 4.016 1.667 15.973 610 2HB ASP 593 1HB ASP 593 4.801 0.093 15.806 611 HA PRO 594 HA PRO 594 2.572 -2.331 13.746 612 1HB PRO 594 2HB PRO 594 -0.077 -1.762 14.107 613 2HB PRO 594 1HB PRO 594 1.039 -2.136 15.429 614 1HG PRO 594 2HG PRO 594 -0.066 0.517 14.594 615 2HG PRO 594 1HG PRO 594 0.428 -0.035 16.205 616 1HD PRO 594 2HD PRO 594 1.954 1.628 14.555 617 2HD PRO 594 1HD PRO 594 2.589 0.670 15.909 618 H ASN 595 H ASN 595 3.142 -2.109 11.565 619 HA ASN 595 HA ASN 595 1.597 -0.607 9.636 620 1HB ASN 595 2HB ASN 595 2.981 -3.148 8.816 621 2HB ASN 595 1HB ASN 595 2.867 -1.618 7.960 622 1HD2 ASN 595 2HD2 ASN 595 6.334 -1.853 9.275 623 2HD2 ASN 595 1HD2 ASN 595 5.397 -2.717 8.152 624 H ARG 596 H ARG 596 0.966 -2.630 7.674 625 HA ARG 596 HA ARG 596 -1.207 -4.101 9.115 626 1HB ARG 596 2HB ARG 596 -1.487 -3.059 6.301 627 2HB ARG 596 1HB ARG 596 -2.757 -3.582 7.407 628 1HG ARG 596 2HG ARG 596 -2.983 -1.321 7.727 629 2HG ARG 596 1HG ARG 596 -1.687 -1.602 8.890 630 1HD ARG 596 2HD ARG 596 -0.150 -1.250 6.754 631 2HD ARG 596 1HD ARG 596 -1.556 -0.358 6.171 632 HE ARG 596 HE ARG 596 0.288 0.723 7.961 633 1HH1 ARG 596 1HH2 ARG 596 -3.068 0.516 7.382 634 2HH1 ARG 596 2HH2 ARG 596 -3.511 1.560 8.691 635 1HH2 ARG 596 2HH1 ARG 596 -0.275 1.853 9.901 636 2HH2 ARG 596 1HH1 ARG 596 -1.930 2.317 10.117 637 H GLU 597 H GLU 597 -0.827 -6.229 8.929 638 HA GLU 597 HA GLU 597 0.870 -7.259 6.775 639 1HB GLU 597 2HB GLU 597 0.640 -9.421 7.915 640 2HB GLU 597 1HB GLU 597 1.064 -8.160 9.075 641 1HG GLU 597 2HG GLU 597 -1.485 -7.902 9.418 642 2HG GLU 597 1HG GLU 597 -1.608 -9.473 8.629 643 H TYR 598 H TYR 598 -0.004 -9.429 5.758 644 HA TYR 598 HA TYR 598 -2.873 -9.455 5.248 645 1HB TYR 598 2HB TYR 598 -2.103 -7.656 3.736 646 2HB TYR 598 1HB TYR 598 -0.993 -8.802 3.013 647 HD1 TYR 598 HD2 TYR 598 -4.628 -8.722 3.986 648 HD2 TYR 598 HD1 TYR 598 -1.671 -9.813 1.057 649 HE1 TYR 598 HE2 TYR 598 -6.402 -9.642 2.533 650 HE2 TYR 598 HE1 TYR 598 -3.450 -10.720 -0.389 651 HH TYR 598 HH TYR 598 -6.014 -11.724 0.261 652 H THR 599 H THR 599 -3.464 -11.544 4.806 653 HA THR 599 HA THR 599 -1.260 -13.441 4.201 654 HB THR 599 HB THR 599 -3.304 -15.082 4.716 655 HG1 THR 599 HG1 THR 599 -3.858 -12.905 6.410 656 1HG2 THR 599 3HG2 THR 599 -1.010 -14.442 5.915 657 2HG2 THR 599 2HG2 THR 599 -2.119 -13.750 7.102 658 3HG2 THR 599 1HG2 THR 599 -2.213 -15.465 6.702 659 H VAL 600 H VAL 600 -1.032 -14.016 2.126 660 HA VAL 600 HA VAL 600 -3.288 -13.657 0.251 661 HB VAL 600 HB VAL 600 -0.386 -14.408 -0.168 662 1HG1 VAL 600 2HG1 VAL 600 -2.699 -14.252 -2.099 663 2HG1 VAL 600 1HG1 VAL 600 -1.021 -14.232 -2.616 664 3HG1 VAL 600 3HG1 VAL 600 -1.679 -15.646 -1.792 665 1HG2 VAL 600 3HG2 VAL 600 -1.425 -11.972 0.231 666 2HG2 VAL 600 2HG2 VAL 600 -0.125 -12.248 -0.928 667 3HG2 VAL 600 1HG2 VAL 600 -1.796 -12.134 -1.493 668 HA PRO 601 HA PRO 601 -4.233 -18.009 0.681 669 1HB PRO 601 2HB PRO 601 -6.302 -17.981 -1.135 670 2HB PRO 601 1HB PRO 601 -6.468 -17.419 0.537 671 1HG PRO 601 2HG PRO 601 -6.229 -15.813 -1.979 672 2HG PRO 601 1HG PRO 601 -7.087 -15.425 -0.475 673 1HD PRO 601 2HD PRO 601 -4.589 -14.375 -1.193 674 2HD PRO 601 1HD PRO 601 -5.238 -14.420 0.456 675 H GLN 602 H GLN 602 -5.225 -19.380 -1.662 676 HA GLN 602 HA GLN 602 -2.822 -19.202 -3.435 677 1HB GLN 602 2HB GLN 602 -4.549 -21.643 -2.933 678 2HB GLN 602 1HB GLN 602 -3.017 -21.584 -3.808 679 1HG GLN 602 2HG GLN 602 -2.023 -20.652 -1.608 680 2HG GLN 602 1HG GLN 602 -3.500 -21.248 -0.849 681 1HE2 GLN 602 2HE2 GLN 602 -0.977 -24.001 -0.721 682 2HE2 GLN 602 1HE2 GLN 602 -1.069 -22.426 -0.093 683 H ALA 603 H ALA 603 -3.698 -17.856 -5.049 684 HA ALA 603 HA ALA 603 -5.379 -19.090 -7.012 685 1HB ALA 603 2HB ALA 603 -6.689 -17.356 -4.965 686 2HB ALA 603 1HB ALA 603 -7.225 -17.201 -6.638 687 3HB ALA 603 3HB ALA 603 -7.327 -18.760 -5.820 688 H CYS 604 H CYS 604 -5.631 -17.735 -8.897 689 HA CYS 604 HA CYS 604 -4.204 -15.114 -8.767 690 1HB CYS 604 2HB CYS 604 -3.031 -17.312 -9.871 691 2HB CYS 604 1HB CYS 604 -3.890 -16.671 -11.272 692 H GLY 605 H GLY 605 -4.582 -15.020 -11.795 693 1HA GLY 605 2HA GLY 605 -6.179 -13.962 -13.169 694 2HA GLY 605 1HA GLY 605 -7.225 -15.277 -12.628 695 H THR 606 H THR 606 -8.728 -14.878 -10.965 696 HA THR 606 HA THR 606 -9.300 -12.019 -10.485 697 HB THR 606 HB THR 606 -11.107 -13.688 -11.090 698 HG1 THR 606 HG1 THR 606 -12.456 -12.963 -9.244 699 1HG2 THR 606 3HG2 THR 606 -9.879 -15.193 -9.087 700 2HG2 THR 606 2HG2 THR 606 -11.392 -14.654 -8.357 701 3HG2 THR 606 1HG2 THR 606 -11.416 -15.559 -9.871 702 H SER 607 H SER 607 -6.924 -13.095 -9.270 703 HA SER 607 HA SER 607 -7.500 -13.668 -6.465 704 1HB SER 607 2HB SER 607 -4.925 -13.254 -6.337 705 2HB SER 607 1HB SER 607 -5.514 -14.671 -7.201 706 HG SER 607 HG SER 607 -3.919 -13.295 -8.311 707 H THR 608 H THR 608 -8.567 -11.887 -5.568 708 HA THR 608 HA THR 608 -7.154 -9.261 -5.743 709 HB THR 608 HB THR 608 -9.446 -8.568 -4.577 710 HG1 THR 608 HG1 THR 608 -11.101 -9.933 -5.477 711 1HG2 THR 608 3HG2 THR 608 -8.465 -8.692 -7.270 712 2HG2 THR 608 2HG2 THR 608 -10.202 -8.992 -7.284 713 3HG2 THR 608 1HG2 THR 608 -9.567 -7.515 -6.558 714 H ALA 609 H ALA 609 -6.818 -8.093 -3.710 715 HA ALA 609 HA ALA 609 -7.125 -9.768 -1.276 716 1HB ALA 609 3HB ALA 609 -4.589 -8.845 -2.499 717 2HB ALA 609 2HB ALA 609 -4.723 -8.665 -0.755 718 3HB ALA 609 1HB ALA 609 -4.911 -10.250 -1.493 719 H THR 610 H THR 610 -6.612 -8.399 0.739 720 HA THR 610 HA THR 610 -7.453 -5.571 0.268 721 HB THR 610 HB THR 610 -8.386 -7.247 2.591 722 HG1 THR 610 HG1 THR 610 -9.812 -8.118 1.333 723 1HG2 THR 610 2HG2 THR 610 -8.710 -4.501 1.679 724 2HG2 THR 610 1HG2 THR 610 -10.270 -5.303 1.866 725 3HG2 THR 610 3HG2 THR 610 -9.151 -5.223 3.227 726 H VAL 611 H VAL 611 -6.362 -4.077 1.397 727 HA VAL 611 HA VAL 611 -5.033 -4.735 3.938 728 HB VAL 611 HB VAL 611 -3.521 -3.809 1.479 729 1HG1 VAL 611 2HG1 VAL 611 -2.782 -3.638 4.414 730 2HG1 VAL 611 1HG1 VAL 611 -1.603 -3.515 3.108 731 3HG1 VAL 611 3HG1 VAL 611 -2.881 -2.310 3.261 732 1HG2 VAL 611 1HG2 VAL 611 -3.737 -6.265 1.942 733 2HG2 VAL 611 3HG2 VAL 611 -2.071 -5.694 2.029 734 3HG2 VAL 611 2HG2 VAL 611 -2.978 -5.999 3.510 735 H THR 612 H THR 612 -6.178 -3.211 5.066 736 HA THR 612 HA THR 612 -6.887 -0.644 3.881 737 HB THR 612 HB THR 612 -7.160 -0.858 6.789 738 HG1 THR 612 HG1 THR 612 -8.621 -2.681 5.210 739 1HG2 THR 612 1HG2 THR 612 -8.481 0.265 4.538 740 2HG2 THR 612 3HG2 THR 612 -9.614 -0.854 5.297 741 3HG2 THR 612 2HG2 THR 612 -8.900 0.454 6.241 742 H ASP 613 H ASP 613 -5.171 0.624 3.486 743 HA ASP 613 HA ASP 613 -3.194 1.173 5.635 744 1HB ASP 613 2HB ASP 613 -3.392 1.815 2.700 745 2HB ASP 613 1HB ASP 613 -2.329 2.758 3.746 746 H THR 614 H THR 614 -3.288 3.145 6.759 747 HA THR 614 HA THR 614 -5.571 4.910 5.969 748 HB THR 614 HB THR 614 -4.428 4.430 8.733 749 HG1 THR 614 HG1 THR 614 -5.945 2.891 7.669 750 1HG2 THR 614 1HG2 THR 614 -5.757 6.683 7.576 751 2HG2 THR 614 3HG2 THR 614 -6.867 5.907 8.711 752 3HG2 THR 614 2HG2 THR 614 -5.277 6.442 9.261 753 H TRP 615 H TRP 615 -5.179 7.106 5.771 754 HA TRP 615 HA TRP 615 -2.336 7.898 6.195 755 1HB TRP 615 2HB TRP 615 -2.740 7.959 3.890 756 2HB TRP 615 1HB TRP 615 -4.328 8.681 4.107 757 HD1 TRP 615 HD1 TRP 615 -4.358 11.291 4.797 758 HE1 TRP 615 HE1 TRP 615 -2.592 13.143 4.367 759 HE3 TRP 615 HE3 TRP 615 -0.399 8.369 3.664 760 HZ2 TRP 615 HZ2 TRP 615 0.188 13.311 3.620 761 HZ3 TRP 615 HZ3 TRP 615 1.806 9.352 3.099 762 HH2 TRP 615 HH2 TRP 615 2.091 11.827 3.060 763 H ARG 616 H ARG 616 -5.631 9.239 6.070 764 HA ARG 616 HA ARG 616 -4.935 11.666 7.458 765 1HB ARG 616 2HB ARG 616 -6.920 11.616 6.070 766 2HB ARG 616 1HB ARG 616 -7.599 10.289 7.014 767 1HG ARG 616 2HG ARG 616 -7.445 11.863 9.038 768 2HG ARG 616 1HG ARG 616 -7.174 13.156 7.868 769 1HD ARG 616 2HD ARG 616 -9.327 13.086 7.088 770 2HD ARG 616 1HD ARG 616 -9.462 11.342 7.314 771 HE ARG 616 HE ARG 616 -9.807 11.806 9.751 772 1HH1 ARG 616 1HH2 ARG 616 -9.154 14.374 10.490 773 2HH1 ARG 616 2HH2 ARG 616 -10.544 15.360 10.180 774 1HH2 ARG 616 1HH1 ARG 616 -12.018 13.068 8.035 775 2HH2 ARG 616 2HH1 ARG 616 -12.165 14.620 8.789 No H/Q in entry = 775 Start of MODEL 5 1 1H CYS 509 1H CYS 509 -4.799 -19.896 -16.094 2 2H CYS 509 3H CYS 509 -6.475 -19.819 -15.847 3 3H CYS 509 2H CYS 509 -5.781 -19.051 -17.194 4 HA CYS 509 HA CYS 509 -5.962 -17.232 -15.893 5 1HB CYS 509 2HB CYS 509 -6.106 -17.300 -13.485 6 2HB CYS 509 1HB CYS 509 -7.090 -18.626 -14.106 7 H THR 510 H THR 510 -4.334 -16.188 -14.071 8 HA THR 510 HA THR 510 -1.682 -16.492 -15.270 9 HB THR 510 HB THR 510 -1.835 -14.911 -12.805 10 HG1 THR 510 HG1 THR 510 -3.326 -13.466 -13.519 11 1HG2 THR 510 2HG2 THR 510 -0.664 -14.844 -15.461 12 2HG2 THR 510 1HG2 THR 510 -1.372 -13.285 -15.041 13 3HG2 THR 510 3HG2 THR 510 -0.150 -14.009 -13.996 14 H THR 511 H THR 511 0.143 -16.334 -13.307 15 HA THR 511 HA THR 511 0.521 -18.906 -12.337 16 HB THR 511 HB THR 511 2.194 -17.033 -12.176 17 HG1 THR 511 HG1 THR 511 2.730 -18.792 -11.016 18 1HG2 THR 511 3HG2 THR 511 0.183 -15.698 -10.893 19 2HG2 THR 511 2HG2 THR 511 1.182 -16.217 -9.535 20 3HG2 THR 511 1HG2 THR 511 1.885 -15.240 -10.824 21 HA PRO 512 HA PRO 512 -2.617 -19.360 -9.274 22 1HB PRO 512 2HB PRO 512 -1.580 -21.590 -8.042 23 2HB PRO 512 1HB PRO 512 -2.421 -21.634 -9.601 24 1HG PRO 512 2HG PRO 512 0.499 -21.865 -9.036 25 2HG PRO 512 1HG PRO 512 -0.435 -22.511 -10.395 26 1HD PRO 512 2HD PRO 512 1.199 -20.204 -10.464 27 2HD PRO 512 1HD PRO 512 -0.005 -20.665 -11.686 28 H THR 513 H THR 513 0.799 -19.220 -8.428 29 HA THR 513 HA THR 513 0.183 -18.656 -5.594 30 HB THR 513 HB THR 513 2.587 -18.700 -5.262 31 HG1 THR 513 HG1 THR 513 3.949 -18.913 -7.074 32 1HG2 THR 513 3HG2 THR 513 1.174 -20.828 -6.712 33 2HG2 THR 513 2HG2 THR 513 2.930 -20.929 -6.845 34 3HG2 THR 513 1HG2 THR 513 2.166 -20.925 -5.256 35 H ALA 514 H ALA 514 -0.881 -16.678 -7.338 36 HA ALA 514 HA ALA 514 0.859 -14.379 -6.570 37 1HB ALA 514 1HB ALA 514 -0.424 -14.913 -9.238 38 2HB ALA 514 3HB ALA 514 -0.073 -13.262 -8.717 39 3HB ALA 514 2HB ALA 514 1.236 -14.432 -8.888 40 H VAL 515 H VAL 515 -0.225 -12.883 -5.396 41 HA VAL 515 HA VAL 515 -3.182 -12.846 -5.654 42 HB VAL 515 HB VAL 515 -1.537 -12.754 -3.182 43 1HG1 VAL 515 3HG1 VAL 515 -4.132 -11.474 -3.814 44 2HG1 VAL 515 2HG1 VAL 515 -4.140 -12.486 -2.364 45 3HG1 VAL 515 1HG1 VAL 515 -3.000 -11.146 -2.496 46 1HG2 VAL 515 2HG2 VAL 515 -3.634 -14.506 -4.427 47 2HG2 VAL 515 1HG2 VAL 515 -2.135 -14.976 -3.627 48 3HG2 VAL 515 3HG2 VAL 515 -3.517 -14.445 -2.673 49 H ALA 516 H ALA 516 -3.756 -10.894 -6.542 50 HA ALA 516 HA ALA 516 -1.977 -8.581 -6.289 51 1HB ALA 516 1HB ALA 516 -4.766 -8.840 -7.456 52 2HB ALA 516 3HB ALA 516 -3.762 -7.393 -7.554 53 3HB ALA 516 2HB ALA 516 -3.252 -8.878 -8.359 54 H VAL 517 H VAL 517 -2.049 -7.193 -4.609 55 HA VAL 517 HA VAL 517 -4.475 -7.273 -2.851 56 HB VAL 517 HB VAL 517 -1.813 -6.151 -2.014 57 1HG1 VAL 517 2HG1 VAL 517 -4.357 -6.677 -0.799 58 2HG1 VAL 517 1HG1 VAL 517 -3.139 -7.707 -0.035 59 3HG1 VAL 517 3HG1 VAL 517 -2.919 -5.955 -0.078 60 1HG2 VAL 517 2HG2 VAL 517 -2.614 -9.035 -2.348 61 2HG2 VAL 517 1HG2 VAL 517 -1.085 -8.263 -2.748 62 3HG2 VAL 517 3HG2 VAL 517 -1.506 -8.570 -1.063 63 H THR 518 H THR 518 -5.775 -5.513 -2.953 64 HA THR 518 HA THR 518 -4.746 -3.026 -4.158 65 HB THR 518 HB THR 518 -7.302 -2.450 -3.366 66 HG1 THR 518 HG1 THR 518 -8.444 -4.220 -3.235 67 1HG2 THR 518 1HG2 THR 518 -6.240 -2.258 -5.634 68 2HG2 THR 518 3HG2 THR 518 -6.566 -3.974 -5.876 69 3HG2 THR 518 2HG2 THR 518 -7.904 -2.844 -5.674 70 H PHE 519 H PHE 519 -4.693 -0.982 -3.059 71 HA PHE 519 HA PHE 519 -4.703 -1.274 -0.093 72 1HB PHE 519 2HB PHE 519 -3.142 0.662 -1.826 73 2HB PHE 519 1HB PHE 519 -2.951 0.394 -0.096 74 HD1 PHE 519 HD1 PHE 519 -2.456 -2.029 0.671 75 HD2 PHE 519 HD2 PHE 519 -1.897 -0.645 -3.349 76 HE1 PHE 519 HE1 PHE 519 -0.956 -3.959 0.220 77 HE2 PHE 519 HE2 PHE 519 -0.386 -2.557 -3.795 78 HZ PHE 519 HZ PHE 519 0.087 -4.214 -2.015 79 H ASP 520 H ASP 520 -5.545 0.628 1.081 80 HA ASP 520 HA ASP 520 -7.035 2.551 -0.612 81 1HB ASP 520 2HB ASP 520 -9.023 1.996 1.096 82 2HB ASP 520 1HB ASP 520 -8.838 1.142 -0.439 83 H LEU 521 H LEU 521 -6.423 4.482 0.150 84 HA LEU 521 HA LEU 521 -5.814 4.800 3.043 85 1HB LEU 521 2HB LEU 521 -5.209 6.454 0.785 86 2HB LEU 521 1HB LEU 521 -5.912 7.388 2.059 87 HG LEU 521 HG LEU 521 -4.164 7.125 3.394 88 1HD1 LEU 521 1HD1 LEU 521 -4.082 4.364 2.560 89 2HD1 LEU 521 3HD1 LEU 521 -2.495 5.082 2.889 90 3HD1 LEU 521 2HD1 LEU 521 -3.755 5.133 4.129 91 1HD2 LEU 521 1HD2 LEU 521 -3.115 6.764 0.628 92 2HD2 LEU 521 3HD2 LEU 521 -3.137 8.210 1.642 93 3HD2 LEU 521 2HD2 LEU 521 -2.008 6.897 1.996 94 H THR 522 H THR 522 -7.127 5.332 4.537 95 HA THR 522 HA THR 522 -9.590 6.796 3.768 96 HB THR 522 HB THR 522 -9.707 6.552 6.497 97 HG1 THR 522 HG1 THR 522 -8.505 4.221 5.422 98 1HG2 THR 522 2HG2 THR 522 -11.224 5.947 4.405 99 2HG2 THR 522 1HG2 THR 522 -10.711 4.305 4.817 100 3HG2 THR 522 3HG2 THR 522 -11.563 5.289 6.011 101 H ALA 523 H ALA 523 -8.395 8.650 3.159 102 HA ALA 523 HA ALA 523 -7.577 10.324 5.461 103 1HB ALA 523 3HB ALA 523 -5.769 9.154 3.408 104 2HB ALA 523 2HB ALA 523 -5.533 10.870 3.766 105 3HB ALA 523 1HB ALA 523 -5.423 9.677 5.061 106 H THR 524 H THR 524 -8.818 12.127 5.101 107 HA THR 524 HA THR 524 -9.412 12.933 2.331 108 HB THR 524 HB THR 524 -11.253 13.047 3.925 109 HG1 THR 524 HG1 THR 524 -11.465 15.481 3.861 110 1HG2 THR 524 2HG2 THR 524 -9.088 14.060 5.527 111 2HG2 THR 524 1HG2 THR 524 -10.472 15.159 5.599 112 3HG2 THR 524 3HG2 THR 524 -10.668 13.463 6.054 113 H THR 525 H THR 525 -6.730 13.118 3.154 114 HA THR 525 HA THR 525 -5.914 15.679 4.086 115 HB THR 525 HB THR 525 -4.461 13.604 3.761 116 HG1 THR 525 HG1 THR 525 -3.812 15.959 4.000 117 1HG2 THR 525 2HG2 THR 525 -5.161 13.185 1.414 118 2HG2 THR 525 1HG2 THR 525 -4.352 14.676 0.929 119 3HG2 THR 525 3HG2 THR 525 -3.410 13.330 1.570 120 H THR 526 H THR 526 -4.380 16.962 2.284 121 HA THR 526 HA THR 526 -6.368 17.844 0.245 122 HB THR 526 HB THR 526 -5.396 19.501 1.917 123 HG1 THR 526 HG1 THR 526 -4.768 20.955 0.060 124 1HG2 THR 526 3HG2 THR 526 -3.020 18.309 1.311 125 2HG2 THR 526 2HG2 THR 526 -2.955 19.729 0.267 126 3HG2 THR 526 1HG2 THR 526 -3.160 19.923 2.008 127 H TYR 527 H TYR 527 -5.055 18.851 -1.763 128 HA TYR 527 HA TYR 527 -3.557 16.573 -2.879 129 1HB TYR 527 2HB TYR 527 -5.333 17.858 -4.163 130 2HB TYR 527 1HB TYR 527 -4.204 19.213 -4.219 131 HD1 TYR 527 HD2 TYR 527 -4.441 15.558 -5.006 132 HD2 TYR 527 HD1 TYR 527 -2.589 19.325 -5.917 133 HE1 TYR 527 HE2 TYR 527 -3.291 14.524 -6.944 134 HE2 TYR 527 HE1 TYR 527 -1.439 18.291 -7.855 135 HH TYR 527 HH TYR 527 -2.289 15.221 -9.071 136 H GLY 528 H GLY 528 -1.507 17.092 -4.143 137 1HA GLY 528 2HA GLY 528 0.342 18.803 -4.368 138 2HA GLY 528 1HA GLY 528 0.108 19.122 -2.648 139 H GLU 529 H GLU 529 -0.413 15.970 -2.680 140 HA GLU 529 HA GLU 529 2.415 15.098 -2.863 141 1HB GLU 529 2HB GLU 529 2.343 14.118 -0.599 142 2HB GLU 529 1HB GLU 529 2.120 15.867 -0.532 143 1HG GLU 529 2HG GLU 529 -0.385 15.433 -0.553 144 2HG GLU 529 1HG GLU 529 -0.008 13.728 -0.304 145 H ASN 530 H ASN 530 2.259 12.572 -1.935 146 HA ASN 530 HA ASN 530 -0.226 11.271 -2.930 147 1HB ASN 530 2HB ASN 530 1.759 11.669 -4.771 148 2HB ASN 530 1HB ASN 530 2.323 10.186 -4.029 149 1HD2 ASN 530 2HD2 ASN 530 -0.943 10.079 -6.442 150 2HD2 ASN 530 1HD2 ASN 530 -0.199 11.557 -6.062 151 H ILE 531 H ILE 531 -0.421 9.230 -1.976 152 HA ILE 531 HA ILE 531 1.663 8.633 0.037 153 HB ILE 531 HB ILE 531 -1.116 7.503 -0.356 154 1HG1 ILE 531 2HG1 ILE 531 -1.256 8.600 2.009 155 2HG1 ILE 531 1HG1 ILE 531 0.160 9.508 1.483 156 1HG2 ILE 531 3HG2 ILE 531 1.184 6.406 0.932 157 2HG2 ILE 531 2HG2 ILE 531 0.030 6.889 2.182 158 3HG2 ILE 531 1HG2 ILE 531 -0.461 5.769 0.909 159 1HD1 ILE 531 3HD1 ILE 531 -1.689 9.510 -0.659 160 2HD1 ILE 531 2HD1 ILE 531 -2.580 9.941 0.801 161 3HD1 ILE 531 1HD1 ILE 531 -1.166 10.879 0.320 162 H TYR 532 H TYR 532 3.272 7.416 -0.776 163 HA TYR 532 HA TYR 532 2.701 5.433 -2.838 164 1HB TYR 532 2HB TYR 532 5.231 6.153 -1.389 165 2HB TYR 532 1HB TYR 532 5.137 4.819 -2.509 166 HD1 TYR 532 HD1 TYR 532 3.644 8.245 -2.570 167 HD2 TYR 532 HD2 TYR 532 6.208 5.395 -4.498 168 HE1 TYR 532 HE1 TYR 532 4.026 9.840 -4.440 169 HE2 TYR 532 HE2 TYR 532 6.579 6.979 -6.364 170 HH TYR 532 HH TYR 532 6.470 9.421 -6.749 171 H LEU 533 H LEU 533 4.100 3.237 -2.202 172 HA LEU 533 HA LEU 533 3.428 2.403 0.545 173 1HB LEU 533 2HB LEU 533 1.328 1.860 -0.336 174 2HB LEU 533 1HB LEU 533 1.991 1.451 -1.914 175 HG LEU 533 HG LEU 533 3.003 -0.584 -0.995 176 1HD1 LEU 533 1HD1 LEU 533 3.213 0.501 1.343 177 2HD1 LEU 533 3HD1 LEU 533 1.553 -0.041 1.592 178 3HD1 LEU 533 2HD1 LEU 533 2.827 -1.218 1.268 179 1HD2 LEU 533 2HD2 LEU 533 0.657 -0.621 -1.842 180 2HD2 LEU 533 1HD2 LEU 533 0.936 -1.824 -0.582 181 3HD2 LEU 533 3HD2 LEU 533 0.087 -0.327 -0.200 182 H VAL 534 H VAL 534 5.181 1.294 1.204 183 HA VAL 534 HA VAL 534 6.609 -0.367 -0.830 184 HB VAL 534 HB VAL 534 8.094 1.301 0.056 185 1HG1 VAL 534 2HG1 VAL 534 6.591 1.011 2.403 186 2HG1 VAL 534 1HG1 VAL 534 8.266 0.589 2.781 187 3HG1 VAL 534 3HG1 VAL 534 7.891 2.159 2.066 188 1HG2 VAL 534 3HG2 VAL 534 9.050 -0.940 -0.158 189 2HG2 VAL 534 2HG2 VAL 534 9.819 0.046 1.068 190 3HG2 VAL 534 1HG2 VAL 534 8.687 -1.222 1.541 191 H GLY 535 H GLY 535 7.652 -2.422 0.543 192 1HA GLY 535 2HA GLY 535 5.595 -3.234 2.550 193 2HA GLY 535 1HA GLY 535 5.651 -4.161 1.063 194 H SER 536 H SER 536 5.914 -5.774 2.940 195 HA SER 536 HA SER 536 8.640 -6.005 3.997 196 1HB SER 536 2HB SER 536 7.805 -7.781 5.346 197 2HB SER 536 1HB SER 536 6.538 -6.560 5.324 198 HG SER 536 HG SER 536 5.910 -7.906 3.310 199 H ILE 537 H ILE 537 8.150 -6.307 1.081 200 HA ILE 537 HA ILE 537 9.671 -8.794 0.773 201 HB ILE 537 HB ILE 537 8.052 -9.680 -0.949 202 1HG1 ILE 537 2HG1 ILE 537 6.230 -7.604 0.312 203 2HG1 ILE 537 1HG1 ILE 537 6.853 -7.547 -1.337 204 1HG2 ILE 537 3HG2 ILE 537 8.175 -10.262 1.618 205 2HG2 ILE 537 2HG2 ILE 537 6.617 -9.434 1.682 206 3HG2 ILE 537 1HG2 ILE 537 6.821 -10.855 0.654 207 1HD1 ILE 537 2HD1 ILE 537 5.734 -10.123 -1.009 208 2HD1 ILE 537 1HD1 ILE 537 4.570 -8.991 -0.319 209 3HD1 ILE 537 3HD1 ILE 537 5.100 -8.802 -1.991 210 H SER 538 H SER 538 10.668 -8.893 -1.366 211 HA SER 538 HA SER 538 11.543 -6.424 -2.354 212 1HB SER 538 2HB SER 538 11.692 -7.902 -4.606 213 2HB SER 538 1HB SER 538 12.855 -8.021 -3.289 214 HG SER 538 HG SER 538 11.821 -10.042 -4.061 215 H GLN 539 H GLN 539 8.549 -8.112 -3.044 216 HA GLN 539 HA GLN 539 7.802 -7.000 -5.485 217 1HB GLN 539 2HB GLN 539 6.329 -7.847 -3.078 218 2HB GLN 539 1HB GLN 539 5.440 -6.897 -4.255 219 1HG GLN 539 2HG GLN 539 5.106 -9.103 -5.001 220 2HG GLN 539 1HG GLN 539 6.460 -8.555 -5.991 221 1HE2 GLN 539 2HE2 GLN 539 8.796 -10.777 -4.507 222 2HE2 GLN 539 1HE2 GLN 539 8.588 -9.441 -5.533 223 H LEU 540 H LEU 540 7.555 -5.518 -2.273 224 HA LEU 540 HA LEU 540 6.722 -2.966 -3.498 225 1HB LEU 540 2HB LEU 540 6.989 -3.884 -0.606 226 2HB LEU 540 1HB LEU 540 6.793 -2.182 -1.072 227 HG LEU 540 HG LEU 540 4.594 -2.945 -0.655 228 1HD1 LEU 540 2HD1 LEU 540 4.976 -1.784 -2.893 229 2HD1 LEU 540 1HD1 LEU 540 4.858 -3.381 -3.631 230 3HD1 LEU 540 3HD1 LEU 540 3.484 -2.714 -2.751 231 1HD2 LEU 540 1HD2 LEU 540 5.380 -5.398 -0.750 232 2HD2 LEU 540 3HD2 LEU 540 3.729 -5.058 -1.268 233 3HD2 LEU 540 2HD2 LEU 540 4.994 -5.318 -2.470 234 H GLY 541 H GLY 541 9.322 -4.017 -4.027 235 1HA GLY 541 2HA GLY 541 11.479 -3.092 -4.278 236 2HA GLY 541 1HA GLY 541 10.902 -1.663 -3.421 237 H ASP 542 H ASP 542 10.342 -4.637 -1.842 238 HA ASP 542 HA ASP 542 11.484 -5.737 -0.093 239 1HB ASP 542 2HB ASP 542 13.675 -3.694 -0.243 240 2HB ASP 542 1HB ASP 542 13.768 -5.361 0.324 241 H TRP 543 H TRP 543 12.326 -2.370 0.227 242 HA TRP 543 HA TRP 543 10.406 -1.683 2.166 243 1HB TRP 543 2HB TRP 543 12.980 -2.793 3.213 244 2HB TRP 543 1HB TRP 543 12.294 -1.385 4.035 245 HD1 TRP 543 HD1 TRP 543 12.257 -4.801 4.649 246 HE1 TRP 543 HE1 TRP 543 9.984 -5.701 5.468 247 HE3 TRP 543 HE3 TRP 543 9.243 -0.888 3.373 248 HZ2 TRP 543 HZ2 TRP 543 7.243 -4.871 5.504 249 HZ3 TRP 543 HZ3 TRP 543 6.809 -0.972 3.816 250 HH2 TRP 543 HH2 TRP 543 5.818 -2.968 4.900 251 H GLU 544 H GLU 544 11.432 -0.616 -0.164 252 HA GLU 544 HA GLU 544 12.826 1.809 0.910 253 1HB GLU 544 2HB GLU 544 13.146 0.306 -1.655 254 2HB GLU 544 1HB GLU 544 13.326 2.063 -1.687 255 1HG GLU 544 2HG GLU 544 15.009 1.918 0.118 256 2HG GLU 544 1HG GLU 544 14.844 0.162 0.123 257 H THR 545 H THR 545 11.668 3.654 0.708 258 HA THR 545 HA THR 545 8.969 3.426 -0.305 259 HB THR 545 HB THR 545 9.168 4.956 1.491 260 HG1 THR 545 HG1 THR 545 8.483 5.887 -0.859 261 1HG2 THR 545 3HG2 THR 545 11.615 5.939 0.032 262 2HG2 THR 545 2HG2 THR 545 10.868 6.871 1.329 263 3HG2 THR 545 1HG2 THR 545 11.505 5.262 1.656 264 H SER 546 H SER 546 12.063 4.482 -1.547 265 HA SER 546 HA SER 546 10.983 5.914 -3.815 266 1HB SER 546 2HB SER 546 13.516 5.412 -4.500 267 2HB SER 546 1HB SER 546 13.108 6.693 -3.373 268 HG SER 546 HG SER 546 14.010 4.058 -2.861 269 H ASP 547 H ASP 547 11.343 2.712 -2.952 270 HA ASP 547 HA ASP 547 11.171 1.850 -5.791 271 1HB ASP 547 2HB ASP 547 12.524 0.626 -3.429 272 2HB ASP 547 1HB ASP 547 11.811 -0.456 -4.621 273 H GLY 548 H GLY 548 9.501 2.307 -2.973 274 1HA GLY 548 2HA GLY 548 7.744 0.033 -2.922 275 2HA GLY 548 1HA GLY 548 7.368 1.626 -2.240 276 H ILE 549 H ILE 549 5.425 2.266 -3.205 277 HA ILE 549 HA ILE 549 5.481 2.652 -6.104 278 HB ILE 549 HB ILE 549 3.480 0.738 -4.864 279 1HG1 ILE 549 2HG1 ILE 549 5.653 0.400 -6.957 280 2HG1 ILE 549 1HG1 ILE 549 5.622 -0.324 -5.348 281 1HG2 ILE 549 1HG2 ILE 549 2.637 2.415 -6.639 282 2HG2 ILE 549 3HG2 ILE 549 3.660 1.532 -7.772 283 3HG2 ILE 549 2HG2 ILE 549 2.344 0.703 -6.942 284 1HD1 ILE 549 3HD1 ILE 549 3.190 -0.879 -6.880 285 2HD1 ILE 549 2HD1 ILE 549 4.643 -1.500 -7.663 286 3HD1 ILE 549 1HD1 ILE 549 4.250 -1.992 -6.015 287 H ALA 550 H ALA 550 4.536 4.564 -6.483 288 HA ALA 550 HA ALA 550 3.103 6.018 -4.490 289 1HB ALA 550 1HB ALA 550 4.192 6.652 -6.922 290 2HB ALA 550 3HB ALA 550 2.459 6.741 -7.248 291 3HB ALA 550 2HB ALA 550 3.162 7.716 -5.958 292 H LEU 551 H LEU 551 0.874 6.369 -4.240 293 HA LEU 551 HA LEU 551 -0.752 4.267 -5.540 294 1HB LEU 551 2HB LEU 551 -1.037 5.754 -2.945 295 2HB LEU 551 1HB LEU 551 -2.411 4.944 -3.654 296 HG LEU 551 HG LEU 551 -0.813 2.890 -3.813 297 1HD1 LEU 551 3HD1 LEU 551 1.059 4.545 -3.015 298 2HD1 LEU 551 2HD1 LEU 551 0.415 4.191 -1.412 299 3HD1 LEU 551 1HD1 LEU 551 1.043 2.888 -2.420 300 1HD2 LEU 551 1HD2 LEU 551 -1.998 3.966 -1.235 301 2HD2 LEU 551 3HD2 LEU 551 -2.792 2.904 -2.402 302 3HD2 LEU 551 2HD2 LEU 551 -1.440 2.303 -1.436 303 H SER 552 H SER 552 -3.269 5.226 -5.213 304 HA SER 552 HA SER 552 -3.325 7.903 -6.474 305 1HB SER 552 2HB SER 552 -3.370 6.126 -8.189 306 2HB SER 552 1HB SER 552 -4.908 5.619 -7.547 307 HG SER 552 HG SER 552 -5.081 7.119 -9.302 308 H ALA 553 H ALA 553 -6.029 8.095 -6.895 309 HA ALA 553 HA ALA 553 -7.287 7.339 -4.335 310 1HB ALA 553 3HB ALA 553 -6.112 9.870 -4.905 311 2HB ALA 553 2HB ALA 553 -7.867 10.088 -4.895 312 3HB ALA 553 1HB ALA 553 -7.051 9.407 -3.486 313 H ASP 554 H ASP 554 -8.064 6.096 -6.497 314 HA ASP 554 HA ASP 554 -9.862 7.442 -8.245 315 1HB ASP 554 2HB ASP 554 -10.182 5.358 -9.135 316 2HB ASP 554 1HB ASP 554 -8.702 5.051 -8.266 317 H LYS 555 H LYS 555 -10.177 6.509 -4.965 318 HA LYS 555 HA LYS 555 -13.098 7.136 -5.087 319 1HB LYS 555 2HB LYS 555 -12.183 4.617 -4.596 320 2HB LYS 555 1HB LYS 555 -12.193 5.277 -2.960 321 1HG LYS 555 2HG LYS 555 -14.403 4.836 -2.913 322 2HG LYS 555 1HG LYS 555 -14.602 6.156 -4.067 323 1HD LYS 555 2HD LYS 555 -14.393 4.627 -5.939 324 2HD LYS 555 1HD LYS 555 -14.002 3.292 -4.855 325 1HE LYS 555 2HE LYS 555 -16.583 4.811 -4.538 326 2HE LYS 555 1HE LYS 555 -16.451 3.504 -5.714 327 1HZ LYS 555 2HZ LYS 555 -15.368 2.846 -3.135 328 2HZ LYS 555 1HZ LYS 555 -17.031 3.195 -3.092 329 3HZ LYS 555 3HZ LYS 555 -16.448 1.973 -4.113 330 H TYR 556 H TYR 556 -10.960 8.947 -4.534 331 HA TYR 556 HA TYR 556 -11.511 9.537 -1.673 332 1HB TYR 556 2HB TYR 556 -9.298 8.568 -1.732 333 2HB TYR 556 1HB TYR 556 -8.886 9.501 -3.147 334 HD1 TYR 556 HD2 TYR 556 -10.764 11.478 -0.799 335 HD2 TYR 556 HD1 TYR 556 -6.834 9.974 -1.682 336 HE1 TYR 556 HE2 TYR 556 -9.779 13.223 0.634 337 HE2 TYR 556 HE1 TYR 556 -5.844 11.753 -0.279 338 HH TYR 556 HH TYR 556 -6.548 14.071 0.452 339 H THR 557 H THR 557 -12.718 11.361 -1.805 340 HA THR 557 HA THR 557 -11.505 13.741 -2.948 341 HB THR 557 HB THR 557 -12.408 12.882 -5.014 342 HG1 THR 557 HG1 THR 557 -14.136 14.820 -3.872 343 1HG2 THR 557 2HG2 THR 557 -14.060 11.367 -3.719 344 2HG2 THR 557 1HG2 THR 557 -15.149 12.753 -3.768 345 3HG2 THR 557 3HG2 THR 557 -14.587 12.021 -5.271 346 H SER 558 H SER 558 -14.692 12.428 -1.953 347 HA SER 558 HA SER 558 -15.244 14.993 -0.571 348 1HB SER 558 2HB SER 558 -16.897 13.635 -2.095 349 2HB SER 558 1HB SER 558 -17.150 12.673 -0.641 350 HG SER 558 HG SER 558 -18.574 14.519 -0.889 351 H SER 559 H SER 559 -17.130 13.331 1.232 352 HA SER 559 HA SER 559 -15.366 13.230 3.505 353 1HB SER 559 2HB SER 559 -18.045 11.857 3.372 354 2HB SER 559 1HB SER 559 -17.272 12.622 4.756 355 HG SER 559 HG SER 559 -18.696 13.728 2.644 356 H ASP 560 H ASP 560 -15.653 11.111 0.953 357 HA ASP 560 HA ASP 560 -14.809 8.806 2.663 358 1HB ASP 560 2HB ASP 560 -16.143 8.764 -0.065 359 2HB ASP 560 1HB ASP 560 -15.630 7.341 0.843 360 HA PRO 561 HA PRO 561 -11.224 9.948 0.094 361 1HB PRO 561 2HB PRO 561 -9.448 9.887 2.185 362 2HB PRO 561 1HB PRO 561 -10.360 11.333 1.708 363 1HG PRO 561 2HG PRO 561 -10.672 9.648 4.092 364 2HG PRO 561 1HG PRO 561 -11.318 11.262 3.761 365 1HD PRO 561 2HD PRO 561 -12.714 8.716 3.601 366 2HD PRO 561 1HD PRO 561 -13.375 10.350 3.333 367 H LEU 562 H LEU 562 -10.742 8.029 -0.979 368 HA LEU 562 HA LEU 562 -9.465 5.906 0.642 369 1HB LEU 562 2HB LEU 562 -11.777 5.759 -1.190 370 2HB LEU 562 1HB LEU 562 -10.543 4.555 -1.502 371 HG LEU 562 HG LEU 562 -12.550 4.637 0.592 372 1HD1 LEU 562 1HD1 LEU 562 -10.987 2.806 -1.001 373 2HD1 LEU 562 3HD1 LEU 562 -11.010 2.279 0.685 374 3HD1 LEU 562 2HD1 LEU 562 -12.526 2.533 -0.179 375 1HD2 LEU 562 3HD2 LEU 562 -9.660 4.271 1.469 376 2HD2 LEU 562 2HD2 LEU 562 -10.808 5.477 2.081 377 3HD2 LEU 562 1HD2 LEU 562 -11.062 3.762 2.415 378 H TRP 563 H TRP 563 -7.346 5.907 0.018 379 HA TRP 563 HA TRP 563 -6.608 6.724 -2.684 380 1HB TRP 563 2HB TRP 563 -5.044 5.569 -0.443 381 2HB TRP 563 1HB TRP 563 -4.391 5.587 -2.040 382 HD1 TRP 563 HD1 TRP 563 -5.931 8.317 0.413 383 HE1 TRP 563 HE1 TRP 563 -4.705 10.483 -0.217 384 HE3 TRP 563 HE3 TRP 563 -3.119 6.660 -3.449 385 HZ2 TRP 563 HZ2 TRP 563 -2.844 11.437 -2.196 386 HZ3 TRP 563 HZ3 TRP 563 -1.663 8.205 -4.710 387 HH2 TRP 563 HH2 TRP 563 -1.551 10.533 -4.121 388 H TYR 564 H TYR 564 -4.992 4.822 -3.757 389 HA TYR 564 HA TYR 564 -6.315 2.226 -3.402 390 1HB TYR 564 2HB TYR 564 -7.341 4.235 -5.059 391 2HB TYR 564 1HB TYR 564 -6.710 2.952 -6.095 392 HD1 TYR 564 HD2 TYR 564 -7.248 0.515 -5.199 393 HD2 TYR 564 HD1 TYR 564 -9.426 4.110 -4.371 394 HE1 TYR 564 HE2 TYR 564 -9.306 -0.813 -4.718 395 HE2 TYR 564 HE1 TYR 564 -11.435 2.845 -3.937 396 HH TYR 564 HH TYR 564 -12.425 0.755 -4.189 397 H VAL 565 H VAL 565 -4.996 0.664 -4.006 398 HA VAL 565 HA VAL 565 -3.604 0.787 -6.502 399 HB VAL 565 HB VAL 565 -2.042 1.258 -4.005 400 1HG1 VAL 565 1HG1 VAL 565 -1.099 -0.830 -5.025 401 2HG1 VAL 565 3HG1 VAL 565 -0.904 0.055 -6.538 402 3HG1 VAL 565 2HG1 VAL 565 0.003 0.545 -5.108 403 1HG2 VAL 565 1HG2 VAL 565 -2.487 2.352 -6.680 404 2HG2 VAL 565 3HG2 VAL 565 -2.202 3.169 -5.148 405 3HG2 VAL 565 2HG2 VAL 565 -0.843 2.478 -6.051 406 H THR 566 H THR 566 -3.091 -1.188 -7.292 407 HA THR 566 HA THR 566 -3.384 -3.418 -5.349 408 HB THR 566 HB THR 566 -4.992 -3.111 -7.467 409 HG1 THR 566 HG1 THR 566 -4.574 -4.926 -5.823 410 1HG2 THR 566 3HG2 THR 566 -3.052 -3.128 -9.051 411 2HG2 THR 566 2HG2 THR 566 -2.719 -4.785 -8.548 412 3HG2 THR 566 1HG2 THR 566 -4.232 -4.401 -9.376 413 H VAL 567 H VAL 567 -1.358 -3.904 -4.763 414 HA VAL 567 HA VAL 567 0.771 -4.003 -6.833 415 HB VAL 567 HB VAL 567 0.890 -3.945 -3.802 416 1HG1 VAL 567 3HG1 VAL 567 2.537 -5.603 -4.918 417 2HG1 VAL 567 2HG1 VAL 567 3.287 -4.180 -5.639 418 3HG1 VAL 567 1HG1 VAL 567 3.243 -4.358 -3.886 419 1HG2 VAL 567 3HG2 VAL 567 0.659 -1.826 -5.265 420 2HG2 VAL 567 2HG2 VAL 567 1.980 -1.856 -4.097 421 3HG2 VAL 567 1HG2 VAL 567 2.303 -2.174 -5.802 422 H THR 568 H THR 568 1.540 -6.013 -7.455 423 HA THR 568 HA THR 568 0.109 -8.353 -6.722 424 HB THR 568 HB THR 568 2.446 -9.396 -7.563 425 HG1 THR 568 HG1 THR 568 3.382 -7.296 -7.590 426 1HG2 THR 568 3HG2 THR 568 0.200 -8.133 -9.126 427 2HG2 THR 568 2HG2 THR 568 1.479 -9.057 -9.914 428 3HG2 THR 568 1HG2 THR 568 0.432 -9.836 -8.724 429 H LEU 569 H LEU 569 0.584 -10.019 -5.357 430 HA LEU 569 HA LEU 569 2.947 -9.987 -3.627 431 1HB LEU 569 2HB LEU 569 0.164 -9.609 -2.446 432 2HB LEU 569 1HB LEU 569 1.637 -9.888 -1.516 433 HG LEU 569 HG LEU 569 1.181 -7.524 -3.370 434 1HD1 LEU 569 1HD1 LEU 569 0.734 -7.924 -0.437 435 2HD1 LEU 569 3HD1 LEU 569 1.448 -6.387 -0.959 436 3HD1 LEU 569 2HD1 LEU 569 -0.120 -6.885 -1.580 437 1HD2 LEU 569 2HD2 LEU 569 3.557 -8.365 -3.050 438 2HD2 LEU 569 1HD2 LEU 569 3.280 -6.700 -2.548 439 3HD2 LEU 569 3HD2 LEU 569 3.379 -7.979 -1.341 440 HA PRO 570 HA PRO 570 1.254 -14.066 -4.777 441 1HB PRO 570 2HB PRO 570 3.688 -15.080 -5.551 442 2HB PRO 570 1HB PRO 570 2.633 -14.154 -6.630 443 1HG PRO 570 2HG PRO 570 5.156 -13.308 -5.301 444 2HG PRO 570 1HG PRO 570 4.408 -12.698 -6.787 445 1HD PRO 570 2HD PRO 570 4.323 -11.460 -4.238 446 2HD PRO 570 1HD PRO 570 3.355 -11.013 -5.656 447 H ALA 571 H ALA 571 2.033 -16.265 -4.085 448 HA ALA 571 HA ALA 571 2.758 -17.787 -2.462 449 1HB ALA 571 1HB ALA 571 4.912 -16.377 -2.748 450 2HB ALA 571 3HB ALA 571 4.431 -15.602 -1.239 451 3HB ALA 571 2HB ALA 571 4.740 -17.337 -1.278 452 H GLY 572 H GLY 572 0.851 -18.034 -1.296 453 1HA GLY 572 2HA GLY 572 -0.562 -16.322 0.321 454 2HA GLY 572 1HA GLY 572 -0.340 -18.013 0.758 455 H GLU 573 H GLU 573 -0.238 -15.318 2.349 456 HA GLU 573 HA GLU 573 1.634 -16.128 4.301 457 1HB GLU 573 2HB GLU 573 3.470 -15.947 2.895 458 2HB GLU 573 1HB GLU 573 2.778 -14.590 2.012 459 1HG GLU 573 2HG GLU 573 4.636 -13.798 3.387 460 2HG GLU 573 1HG GLU 573 3.126 -13.154 4.030 461 H SER 574 H SER 574 1.793 -14.711 6.043 462 HA SER 574 HA SER 574 -0.126 -12.479 6.044 463 1HB SER 574 2HB SER 574 -0.110 -13.850 8.030 464 2HB SER 574 1HB SER 574 1.640 -13.711 8.179 465 HG SER 574 HG SER 574 -0.032 -12.228 9.380 466 H PHE 575 H PHE 575 1.491 -11.624 4.289 467 HA PHE 575 HA PHE 575 4.030 -10.628 4.771 468 1HB PHE 575 2HB PHE 575 1.809 -9.298 3.214 469 2HB PHE 575 1HB PHE 575 3.530 -8.964 3.031 470 HD1 PHE 575 HD2 PHE 575 0.837 -11.497 2.462 471 HD2 PHE 575 HD1 PHE 575 4.987 -10.482 1.909 472 HE1 PHE 575 HE2 PHE 575 1.089 -13.329 0.820 473 HE2 PHE 575 HE1 PHE 575 5.217 -12.310 0.258 474 HZ PHE 575 HZ PHE 575 3.269 -13.730 -0.287 475 H GLU 576 H GLU 576 4.148 -7.953 4.534 476 HA GLU 576 HA GLU 576 2.576 -6.617 6.629 477 1HB GLU 576 2HB GLU 576 5.357 -7.549 7.017 478 2HB GLU 576 1HB GLU 576 5.067 -5.863 7.449 479 1HG GLU 576 2HG GLU 576 3.256 -6.501 8.938 480 2HG GLU 576 1HG GLU 576 3.382 -8.184 8.427 481 H TYR 577 H TYR 577 2.113 -4.645 5.703 482 HA TYR 577 HA TYR 577 4.246 -3.417 3.995 483 1HB TYR 577 2HB TYR 577 1.308 -3.027 3.446 484 2HB TYR 577 1HB TYR 577 2.675 -2.776 2.363 485 HD1 TYR 577 HD2 TYR 577 0.990 -5.476 4.330 486 HD2 TYR 577 HD1 TYR 577 3.231 -4.441 0.821 487 HE1 TYR 577 HE2 TYR 577 0.766 -7.796 3.494 488 HE2 TYR 577 HE1 TYR 577 3.033 -6.752 0.002 489 HH TYR 577 HH TYR 577 0.920 -9.066 1.528 490 H LYS 578 H LYS 578 3.472 -0.972 3.589 491 HA LYS 578 HA LYS 578 1.975 0.251 5.716 492 1HB LYS 578 2HB LYS 578 4.675 -0.410 6.333 493 2HB LYS 578 1HB LYS 578 4.542 1.346 6.235 494 1HG LYS 578 2HG LYS 578 2.746 -0.490 7.848 495 2HG LYS 578 1HG LYS 578 3.992 0.566 8.510 496 1HD LYS 578 2HD LYS 578 2.742 2.497 7.371 497 2HD LYS 578 1HD LYS 578 1.418 1.357 7.137 498 1HE LYS 578 2HE LYS 578 1.124 1.053 9.479 499 2HE LYS 578 1HE LYS 578 2.666 1.825 9.849 500 1HZ LYS 578 2HZ LYS 578 0.394 3.220 8.547 501 2HZ LYS 578 1HZ LYS 578 0.686 3.253 10.219 502 3HZ LYS 578 3HZ LYS 578 1.821 3.917 9.149 503 H PHE 579 H PHE 579 2.011 2.616 5.606 504 HA PHE 579 HA PHE 579 2.365 3.473 2.817 505 1HB PHE 579 2HB PHE 579 0.716 5.023 3.247 506 2HB PHE 579 1HB PHE 579 0.329 3.834 4.473 507 HD1 PHE 579 HD1 PHE 579 1.271 4.136 6.829 508 HD2 PHE 579 HD2 PHE 579 1.324 7.241 3.859 509 HE1 PHE 579 HE1 PHE 579 1.609 5.831 8.606 510 HE2 PHE 579 HE2 PHE 579 1.662 8.936 5.638 511 HZ PHE 579 HZ PHE 579 1.805 8.232 8.012 512 H ILE 580 H ILE 580 3.099 5.704 2.380 513 HA ILE 580 HA ILE 580 5.272 6.783 4.173 514 HB ILE 580 HB ILE 580 6.365 7.018 1.679 515 1HG1 ILE 580 2HG1 ILE 580 5.321 4.191 1.824 516 2HG1 ILE 580 1HG1 ILE 580 4.541 5.442 0.846 517 1HG2 ILE 580 2HG2 ILE 580 7.042 5.914 4.072 518 2HG2 ILE 580 1HG2 ILE 580 7.149 4.532 2.979 519 3HG2 ILE 580 3HG2 ILE 580 8.070 6.004 2.627 520 1HD1 ILE 580 3HD1 ILE 580 6.793 5.859 -0.219 521 2HD1 ILE 580 2HD1 ILE 580 7.371 4.405 0.590 522 3HD1 ILE 580 1HD1 ILE 580 6.076 4.294 -0.603 523 H ARG 581 H ARG 581 5.473 9.033 3.885 524 HA ARG 581 HA ARG 581 3.429 10.417 2.241 525 1HB ARG 581 2HB ARG 581 3.757 11.265 4.517 526 2HB ARG 581 1HB ARG 581 5.494 11.401 4.242 527 1HG ARG 581 2HG ARG 581 5.237 13.192 2.719 528 2HG ARG 581 1HG ARG 581 3.515 12.875 2.509 529 1HD ARG 581 2HD ARG 581 3.882 13.290 5.273 530 2HD ARG 581 1HD ARG 581 4.822 14.549 4.470 531 HE ARG 581 HE ARG 581 2.553 14.840 3.120 532 1HH1 ARG 581 2HH1 ARG 581 2.036 13.092 5.880 533 2HH1 ARG 581 1HH1 ARG 581 0.988 14.237 6.648 534 1HH2 ARG 581 1HH2 ARG 581 1.613 16.755 4.349 535 2HH2 ARG 581 2HH2 ARG 581 0.748 16.311 5.782 536 H ILE 582 H ILE 582 4.234 10.333 0.062 537 HA ILE 582 HA ILE 582 7.109 11.035 -0.239 538 HB ILE 582 HB ILE 582 5.187 9.781 -2.215 539 1HG1 ILE 582 2HG1 ILE 582 6.571 7.752 -1.844 540 2HG1 ILE 582 1HG1 ILE 582 7.518 8.612 -0.634 541 1HG2 ILE 582 2HG2 ILE 582 6.934 11.134 -3.331 542 2HG2 ILE 582 1HG2 ILE 582 8.184 10.275 -2.431 543 3HG2 ILE 582 3HG2 ILE 582 7.183 9.411 -3.603 544 1HD1 ILE 582 3HD1 ILE 582 4.558 8.578 -0.316 545 2HD1 ILE 582 2HD1 ILE 582 5.451 7.113 0.075 546 3HD1 ILE 582 1HD1 ILE 582 5.821 8.618 0.908 547 H GLU 583 H GLU 583 7.692 12.924 -0.936 548 HA GLU 583 HA GLU 583 5.804 14.992 -1.685 549 1HB GLU 583 2HB GLU 583 8.666 14.725 -1.061 550 2HB GLU 583 1HB GLU 583 8.338 15.931 -2.297 551 1HG GLU 583 2HG GLU 583 8.246 16.989 -0.097 552 2HG GLU 583 1HG GLU 583 6.616 16.938 -0.771 553 H SER 584 H SER 584 6.908 16.371 -3.740 554 HA SER 584 HA SER 584 6.135 14.927 -6.057 555 1HB SER 584 2HB SER 584 7.983 17.317 -5.830 556 2HB SER 584 1HB SER 584 7.274 16.738 -7.335 557 HG SER 584 HG SER 584 5.549 17.801 -6.815 558 H ASP 585 H ASP 585 8.939 14.851 -4.196 559 HA ASP 585 HA ASP 585 10.412 13.340 -6.303 560 1HB ASP 585 2HB ASP 585 12.461 13.916 -5.119 561 2HB ASP 585 1HB ASP 585 11.556 15.395 -5.444 562 H ASP 586 H ASP 586 12.207 12.106 -4.560 563 HA ASP 586 HA ASP 586 10.483 10.020 -3.440 564 1HB ASP 586 2HB ASP 586 12.652 8.784 -3.152 565 2HB ASP 586 1HB ASP 586 12.321 9.264 -4.818 566 H SER 587 H SER 587 11.282 12.821 -2.131 567 HA SER 587 HA SER 587 12.518 11.882 0.375 568 1HB SER 587 2HB SER 587 11.773 14.203 1.186 569 2HB SER 587 1HB SER 587 12.932 14.194 -0.141 570 HG SER 587 HG SER 587 10.385 15.122 -0.059 571 H VAL 588 H VAL 588 11.247 11.164 2.221 572 HA VAL 588 HA VAL 588 8.368 11.715 1.996 573 HB VAL 588 HB VAL 588 7.629 9.564 1.544 574 1HG1 VAL 588 2HG1 VAL 588 10.378 9.722 0.366 575 2HG1 VAL 588 1HG1 VAL 588 9.242 8.423 0.008 576 3HG1 VAL 588 3HG1 VAL 588 8.837 10.088 -0.416 577 1HG2 VAL 588 1HG2 VAL 588 10.120 8.665 2.923 578 2HG2 VAL 588 3HG2 VAL 588 8.439 8.258 3.255 579 3HG2 VAL 588 2HG2 VAL 588 9.231 7.583 1.841 580 H GLU 589 H GLU 589 7.184 10.194 3.572 581 HA GLU 589 HA GLU 589 8.550 10.081 6.219 582 1HB GLU 589 2HB GLU 589 5.609 10.746 5.932 583 2HB GLU 589 1HB GLU 589 6.636 10.938 7.350 584 1HG GLU 589 2HG GLU 589 7.904 12.710 6.209 585 2HG GLU 589 1HG GLU 589 6.881 12.531 4.784 586 H TRP 590 H TRP 590 7.167 8.512 7.629 587 HA TRP 590 HA TRP 590 6.258 6.416 5.758 588 1HB TRP 590 2HB TRP 590 8.585 6.645 7.524 589 2HB TRP 590 1HB TRP 590 7.783 5.119 7.474 590 HD1 TRP 590 HD1 TRP 590 9.034 7.686 4.899 591 HE1 TRP 590 HE1 TRP 590 10.170 6.403 2.993 592 HE3 TRP 590 HE3 TRP 590 8.028 2.935 6.391 593 HZ2 TRP 590 HZ2 TRP 590 10.593 3.671 2.196 594 HZ3 TRP 590 HZ3 TRP 590 8.806 0.996 5.042 595 HH2 TRP 590 HH2 TRP 590 10.073 1.363 2.940 596 H GLU 591 H GLU 591 6.015 4.410 7.098 597 HA GLU 591 HA GLU 591 3.637 4.403 8.603 598 1HB GLU 591 2HB GLU 591 4.454 2.164 9.421 599 2HB GLU 591 1HB GLU 591 4.559 2.319 7.694 600 1HG GLU 591 2HG GLU 591 6.967 3.212 8.167 601 2HG GLU 591 1HG GLU 591 6.756 2.390 9.714 602 H SER 592 H SER 592 3.283 4.062 10.874 603 HA SER 592 HA SER 592 5.204 5.378 12.646 604 1HB SER 592 2HB SER 592 2.676 5.212 13.099 605 2HB SER 592 1HB SER 592 2.933 3.498 13.413 606 HG SER 592 HG SER 592 3.469 5.670 14.969 607 H ASP 593 H ASP 593 4.836 2.905 14.558 608 HA ASP 593 HA ASP 593 7.057 1.452 13.260 609 1HB ASP 593 2HB ASP 593 5.981 1.572 16.038 610 2HB ASP 593 1HB ASP 593 6.785 0.090 15.520 611 HA PRO 594 HA PRO 594 3.961 -2.068 13.879 612 1HB PRO 594 2HB PRO 594 1.346 -1.407 14.339 613 2HB PRO 594 1HB PRO 594 2.522 -1.759 15.615 614 1HG PRO 594 2HG PRO 594 1.403 0.871 14.772 615 2HG PRO 594 1HG PRO 594 2.069 0.389 16.342 616 1HD PRO 594 2HD PRO 594 3.394 1.922 14.372 617 2HD PRO 594 1HD PRO 594 4.158 1.172 15.791 618 H ASN 595 H ASN 595 4.422 -2.044 11.691 619 HA ASN 595 HA ASN 595 2.849 -0.634 9.710 620 1HB ASN 595 2HB ASN 595 4.138 -3.224 8.967 621 2HB ASN 595 1HB ASN 595 4.149 -1.685 8.116 622 1HD2 ASN 595 2HD2 ASN 595 7.525 -2.320 9.697 623 2HD2 ASN 595 1HD2 ASN 595 6.545 -3.248 8.664 624 H ARG 596 H ARG 596 1.535 -1.958 8.012 625 HA ARG 596 HA ARG 596 -0.491 -3.472 9.505 626 1HB ARG 596 2HB ARG 596 -0.285 -2.262 6.776 627 2HB ARG 596 1HB ARG 596 -1.446 -3.566 7.026 628 1HG ARG 596 2HG ARG 596 -1.374 -1.374 9.053 629 2HG ARG 596 1HG ARG 596 -2.097 -1.016 7.484 630 1HD ARG 596 2HD ARG 596 -3.567 -3.002 7.728 631 2HD ARG 596 1HD ARG 596 -2.872 -3.301 9.322 632 HE ARG 596 HE ARG 596 -4.728 -1.108 8.625 633 1HH1 ARG 596 1HH2 ARG 596 -3.002 0.353 10.312 634 2HH1 ARG 596 2HH2 ARG 596 -3.433 -0.105 11.926 635 1HH2 ARG 596 2HH1 ARG 596 -5.107 -2.980 10.948 636 2HH2 ARG 596 1HH1 ARG 596 -4.624 -1.991 12.286 637 H GLU 597 H GLU 597 -1.411 -5.418 8.005 638 HA GLU 597 HA GLU 597 0.833 -7.022 6.941 639 1HB GLU 597 2HB GLU 597 0.429 -8.901 8.372 640 2HB GLU 597 1HB GLU 597 0.578 -7.494 9.425 641 1HG GLU 597 2HG GLU 597 -2.048 -7.359 9.010 642 2HG GLU 597 1HG GLU 597 -1.846 -9.088 8.725 643 H TYR 598 H TYR 598 0.051 -8.946 5.766 644 HA TYR 598 HA TYR 598 -2.833 -8.938 5.129 645 1HB TYR 598 2HB TYR 598 -1.844 -7.408 3.467 646 2HB TYR 598 1HB TYR 598 -0.754 -8.688 2.987 647 HD1 TYR 598 HD1 TYR 598 -4.399 -8.637 3.853 648 HD2 TYR 598 HD2 TYR 598 -1.367 -9.594 0.949 649 HE1 TYR 598 HE1 TYR 598 -6.108 -9.716 2.435 650 HE2 TYR 598 HE2 TYR 598 -3.087 -10.670 -0.468 651 HH TYR 598 HH TYR 598 -5.929 -11.702 0.567 652 H THR 599 H THR 599 -3.591 -10.956 4.498 653 HA THR 599 HA THR 599 -1.528 -13.105 4.450 654 HB THR 599 HB THR 599 -3.772 -14.498 4.869 655 HG1 THR 599 HG1 THR 599 -4.349 -12.340 6.492 656 1HG2 THR 599 2HG2 THR 599 -1.559 -14.039 6.228 657 2HG2 THR 599 1HG2 THR 599 -2.633 -13.053 7.224 658 3HG2 THR 599 3HG2 THR 599 -2.958 -14.775 7.014 659 H VAL 600 H VAL 600 -1.097 -13.660 2.405 660 HA VAL 600 HA VAL 600 -3.016 -13.301 0.258 661 HB VAL 600 HB VAL 600 -0.268 -14.544 0.415 662 1HG1 VAL 600 3HG1 VAL 600 -2.333 -15.199 -1.487 663 2HG1 VAL 600 2HG1 VAL 600 -1.071 -14.277 -2.296 664 3HG1 VAL 600 1HG1 VAL 600 -0.663 -15.761 -1.448 665 1HG2 VAL 600 1HG2 VAL 600 -0.856 -11.998 0.230 666 2HG2 VAL 600 3HG2 VAL 600 0.421 -12.685 -0.778 667 3HG2 VAL 600 2HG2 VAL 600 -1.189 -12.397 -1.462 668 HA PRO 601 HA PRO 601 -4.878 -17.285 1.123 669 1HB PRO 601 2HB PRO 601 -6.889 -17.007 -0.730 670 2HB PRO 601 1HB PRO 601 -6.933 -16.263 0.877 671 1HG PRO 601 2HG PRO 601 -6.414 -14.986 -1.770 672 2HG PRO 601 1HG PRO 601 -7.098 -14.277 -0.297 673 1HD PRO 601 2HD PRO 601 -4.441 -13.949 -1.196 674 2HD PRO 601 1HD PRO 601 -5.041 -13.569 0.430 675 H GLN 602 H GLN 602 -5.535 -16.621 -2.295 676 HA GLN 602 HA GLN 602 -3.390 -18.358 -3.252 677 1HB GLN 602 2HB GLN 602 -5.381 -19.763 -4.425 678 2HB GLN 602 1HB GLN 602 -4.632 -20.255 -2.907 679 1HG GLN 602 2HG GLN 602 -6.873 -18.308 -2.709 680 2HG GLN 602 1HG GLN 602 -7.298 -19.955 -3.175 681 1HE2 GLN 602 2HE2 GLN 602 -7.096 -19.549 0.622 682 2HE2 GLN 602 1HE2 GLN 602 -7.850 -18.593 -0.560 683 H ALA 603 H ALA 603 -4.360 -18.952 -5.774 684 HA ALA 603 HA ALA 603 -5.314 -16.330 -6.834 685 1HB ALA 603 1HB ALA 603 -2.721 -16.923 -7.007 686 2HB ALA 603 3HB ALA 603 -3.276 -17.858 -8.395 687 3HB ALA 603 2HB ALA 603 -3.566 -16.120 -8.330 688 H CYS 604 H CYS 604 -5.372 -16.944 -9.514 689 HA CYS 604 HA CYS 604 -6.726 -18.012 -11.101 690 1HB CYS 604 2HB CYS 604 -5.136 -19.939 -10.053 691 2HB CYS 604 1HB CYS 604 -6.718 -20.580 -9.613 692 H GLY 605 H GLY 605 -8.833 -17.388 -11.054 693 1HA GLY 605 2HA GLY 605 -11.151 -17.775 -10.599 694 2HA GLY 605 1HA GLY 605 -10.687 -18.817 -9.251 695 H THR 606 H THR 606 -8.864 -16.958 -8.025 696 HA THR 606 HA THR 606 -10.329 -14.486 -7.479 697 HB THR 606 HB THR 606 -11.622 -16.009 -6.080 698 HG1 THR 606 HG1 THR 606 -11.525 -14.489 -4.663 699 1HG2 THR 606 3HG2 THR 606 -8.893 -16.892 -5.132 700 2HG2 THR 606 2HG2 THR 606 -10.368 -17.236 -4.228 701 3HG2 THR 606 1HG2 THR 606 -10.161 -17.882 -5.857 702 H SER 607 H SER 607 -7.885 -14.481 -8.451 703 HA SER 607 HA SER 607 -5.860 -14.629 -6.324 704 1HB SER 607 2HB SER 607 -4.267 -14.274 -8.029 705 2HB SER 607 1HB SER 607 -5.527 -15.209 -8.828 706 HG SER 607 HG SER 607 -4.795 -13.280 -9.963 707 H THR 608 H THR 608 -7.604 -12.845 -5.387 708 HA THR 608 HA THR 608 -6.319 -10.208 -5.965 709 HB THR 608 HB THR 608 -8.660 -9.383 -4.997 710 HG1 THR 608 HG1 THR 608 -9.358 -11.564 -4.682 711 1HG2 THR 608 1HG2 THR 608 -8.013 -10.307 -7.795 712 2HG2 THR 608 3HG2 THR 608 -9.517 -9.463 -7.422 713 3HG2 THR 608 2HG2 THR 608 -7.967 -8.668 -7.147 714 H ALA 609 H ALA 609 -6.791 -8.680 -3.952 715 HA ALA 609 HA ALA 609 -6.824 -10.141 -1.411 716 1HB ALA 609 2HB ALA 609 -4.362 -9.183 -2.721 717 2HB ALA 609 1HB ALA 609 -4.509 -8.818 -1.002 718 3HB ALA 609 3HB ALA 609 -4.592 -10.484 -1.561 719 H THR 610 H THR 610 -5.970 -8.373 0.365 720 HA THR 610 HA THR 610 -7.057 -5.697 -0.314 721 HB THR 610 HB THR 610 -8.049 -7.276 2.065 722 HG1 THR 610 HG1 THR 610 -9.987 -7.414 0.764 723 1HG2 THR 610 1HG2 THR 610 -8.392 -4.540 1.017 724 2HG2 THR 610 3HG2 THR 610 -9.906 -5.348 1.426 725 3HG2 THR 610 2HG2 THR 610 -8.647 -5.163 2.647 726 H VAL 611 H VAL 611 -6.212 -4.071 0.934 727 HA VAL 611 HA VAL 611 -4.805 -4.650 3.443 728 HB VAL 611 HB VAL 611 -3.378 -3.714 0.950 729 1HG1 VAL 611 1HG1 VAL 611 -3.009 -2.007 2.722 730 2HG1 VAL 611 3HG1 VAL 611 -2.486 -3.284 3.822 731 3HG1 VAL 611 2HG1 VAL 611 -1.539 -2.920 2.380 732 1HG2 VAL 611 2HG2 VAL 611 -3.369 -6.129 1.733 733 2HG2 VAL 611 1HG2 VAL 611 -1.772 -5.394 1.602 734 3HG2 VAL 611 3HG2 VAL 611 -2.529 -5.580 3.184 735 H THR 612 H THR 612 -6.092 -3.251 4.568 736 HA THR 612 HA THR 612 -6.913 -0.683 3.455 737 HB THR 612 HB THR 612 -7.164 -1.234 6.372 738 HG1 THR 612 HG1 THR 612 -7.699 -3.222 5.761 739 1HG2 THR 612 2HG2 THR 612 -8.376 0.401 4.361 740 2HG2 THR 612 1HG2 THR 612 -9.609 -0.678 5.015 741 3HG2 THR 612 3HG2 THR 612 -8.700 0.380 6.095 742 H ASP 613 H ASP 613 -5.297 0.748 3.189 743 HA ASP 613 HA ASP 613 -3.367 1.193 5.424 744 1HB ASP 613 2HB ASP 613 -2.645 2.960 3.460 745 2HB ASP 613 1HB ASP 613 -1.958 1.349 3.647 746 H THR 614 H THR 614 -3.652 2.987 6.695 747 HA THR 614 HA THR 614 -5.766 4.890 5.778 748 HB THR 614 HB THR 614 -4.851 4.245 8.596 749 HG1 THR 614 HG1 THR 614 -7.128 3.683 7.033 750 1HG2 THR 614 2HG2 THR 614 -5.980 6.613 7.472 751 2HG2 THR 614 1HG2 THR 614 -7.222 5.832 8.460 752 3HG2 THR 614 3HG2 THR 614 -5.665 6.257 9.176 753 H TRP 615 H TRP 615 -5.254 7.089 5.704 754 HA TRP 615 HA TRP 615 -2.405 7.654 6.396 755 1HB TRP 615 2HB TRP 615 -2.543 7.864 4.070 756 2HB TRP 615 1HB TRP 615 -4.106 8.640 4.143 757 HD1 TRP 615 HD1 TRP 615 -4.101 11.185 5.280 758 HE1 TRP 615 HE1 TRP 615 -2.295 13.017 5.014 759 HE3 TRP 615 HE3 TRP 615 -0.239 8.307 3.706 760 HZ2 TRP 615 HZ2 TRP 615 0.458 13.208 4.222 761 HZ3 TRP 615 HZ3 TRP 615 1.978 9.315 3.200 762 HH2 TRP 615 HH2 TRP 615 2.311 11.765 3.447 763 H ARG 616 H ARG 616 -5.687 8.510 6.942 764 HA ARG 616 HA ARG 616 -5.286 11.243 7.765 765 1HB ARG 616 2HB ARG 616 -7.495 9.831 7.252 766 2HB ARG 616 1HB ARG 616 -7.448 9.583 8.997 767 1HG ARG 616 2HG ARG 616 -7.223 12.317 7.719 768 2HG ARG 616 1HG ARG 616 -8.759 11.622 8.237 769 1HD ARG 616 2HD ARG 616 -7.578 11.247 10.516 770 2HD ARG 616 1HD ARG 616 -6.386 12.405 9.925 771 HE ARG 616 HE ARG 616 -8.546 13.881 9.537 772 1HH1 ARG 616 1HH2 ARG 616 -9.791 11.523 11.276 773 2HH1 ARG 616 2HH2 ARG 616 -9.975 12.369 12.775 774 1HH2 ARG 616 1HH1 ARG 616 -7.977 15.037 11.819 775 2HH2 ARG 616 2HH1 ARG 616 -8.947 14.359 13.083 No H/Q in entry = 775
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