NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
630189 | 6cpj | 30437 | cing | 1-original | 1 | MR format | nomenclature mapping |
final.upl Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 525 H MET 525 3.262 -10.133 -16.312 2 HA MET 525 HA MET 525 1.305 -7.955 -16.467 3 HB2 MET 525 1HB MET 525 0.445 -8.594 -14.216 4 HB3 MET 525 2HB MET 525 0.070 -9.763 -15.473 5 HG2 MET 525 1HG MET 525 2.058 -11.082 -14.704 6 HG3 MET 525 2HG MET 525 2.166 -9.979 -13.333 7 HE1 MET 525 1HE MET 525 0.206 -13.793 -13.042 8 HE2 MET 525 2HE MET 525 0.911 -13.235 -14.560 9 HE3 MET 525 3HE MET 525 1.863 -13.187 -13.076 10 H VAL 526 H VAL 526 2.063 -6.114 -15.645 11 HA VAL 526 HA VAL 526 4.422 -6.250 -13.883 12 HB VAL 526 HB VAL 526 4.826 -3.863 -14.722 13 HG11 VAL 526 1HG1 VAL 526 6.082 -5.970 -15.360 14 HG12 VAL 526 2HG1 VAL 526 5.102 -5.991 -16.829 15 HG13 VAL 526 3HG1 VAL 526 6.173 -4.628 -16.500 16 HG21 VAL 526 1HG2 VAL 526 3.927 -3.367 -16.952 17 HG22 VAL 526 2HG2 VAL 526 2.936 -4.824 -16.870 18 HG23 VAL 526 3HG2 VAL 526 2.649 -3.498 -15.744 19 HA PRO 527 HA PRO 527 2.263 -4.111 -10.717 20 HB2 PRO 527 1HB PRO 527 4.239 -2.586 -9.650 21 HB3 PRO 527 2HB PRO 527 4.153 -4.338 -9.432 22 HG2 PRO 527 1HG PRO 527 5.810 -2.747 -11.352 23 HG3 PRO 527 2HG PRO 527 6.273 -4.149 -10.370 24 HD2 PRO 527 1HD PRO 527 5.658 -4.350 -13.000 25 HD3 PRO 527 2HD PRO 527 5.320 -5.649 -11.840 26 H GLY 528 H GLY 528 2.359 -1.682 -9.698 27 HA2 GLY 528 1HA GLY 528 2.251 0.634 -10.128 28 HA3 GLY 528 2HA GLY 528 2.416 0.300 -11.845 29 H ARG 529 H ARG 529 0.166 -1.776 -10.510 30 HA ARG 529 HA ARG 529 -2.005 -0.307 -11.755 31 HB2 ARG 529 1HB ARG 529 -1.751 -3.077 -10.603 32 HB3 ARG 529 2HB ARG 529 -3.307 -2.414 -11.081 33 HG2 ARG 529 1HG ARG 529 -0.949 -2.614 -12.937 34 HG3 ARG 529 2HG ARG 529 -2.189 -3.860 -12.787 35 HD2 ARG 529 1HD ARG 529 -3.834 -1.887 -13.217 36 HD3 ARG 529 2HD ARG 529 -2.409 -1.087 -13.878 37 HE ARG 529 HE ARG 529 -2.619 -2.396 -15.729 38 HH11 ARG 529 1HH1 ARG 529 -4.249 -3.962 -13.081 39 HH12 ARG 529 2HH1 ARG 529 -4.863 -5.257 -14.054 40 HH21 ARG 529 1HH2 ARG 529 -3.421 -4.095 -17.020 41 HH22 ARG 529 2HH2 ARG 529 -4.391 -5.333 -16.295 42 H LEU 530 H LEU 530 -4.214 -0.843 -10.406 43 HA LEU 530 HA LEU 530 -3.843 0.626 -7.903 44 HB2 LEU 530 1HB LEU 530 -6.511 -0.000 -9.088 45 HB3 LEU 530 2HB LEU 530 -6.022 1.375 -8.101 46 HG LEU 530 HG LEU 530 -5.480 0.923 -11.029 47 HD11 LEU 530 1HD1 LEU 530 -7.607 2.098 -9.721 48 HD12 LEU 530 2HD1 LEU 530 -7.152 2.344 -11.406 49 HD13 LEU 530 3HD1 LEU 530 -6.585 3.464 -10.168 50 HD21 LEU 530 1HD2 LEU 530 -4.411 3.247 -10.806 51 HD22 LEU 530 2HD2 LEU 530 -3.465 1.846 -10.303 52 HD23 LEU 530 3HD2 LEU 530 -4.255 2.858 -9.093 53 H PHE 531 H PHE 531 -3.453 -0.728 -6.256 54 HA PHE 531 HA PHE 531 -5.005 -3.204 -6.048 55 HB2 PHE 531 1HB PHE 531 -2.456 -2.247 -4.770 56 HB3 PHE 531 2HB PHE 531 -3.349 -3.610 -4.103 57 HD1 PHE 531 1HD PHE 531 -3.188 -5.748 -5.054 58 HD2 PHE 531 2HD PHE 531 -1.616 -2.381 -7.128 59 HE1 PHE 531 1HE PHE 531 -2.093 -7.255 -6.662 60 HE2 PHE 531 2HE PHE 531 -0.519 -3.882 -8.740 61 HZ PHE 531 HZ PHE 531 -0.758 -6.322 -8.509 62 H VAL 532 H VAL 532 -5.949 -3.801 -3.994 63 HA VAL 532 HA VAL 532 -6.681 -1.483 -2.327 64 HB VAL 532 HB VAL 532 -8.605 -2.008 -3.676 65 HG11 VAL 532 1HG1 VAL 532 -7.993 -4.289 -4.300 66 HG12 VAL 532 2HG1 VAL 532 -8.342 -4.836 -2.658 67 HG13 VAL 532 3HG1 VAL 532 -9.642 -4.218 -3.678 68 HG21 VAL 532 1HG2 VAL 532 -10.169 -2.071 -1.997 69 HG22 VAL 532 2HG2 VAL 532 -9.316 -3.324 -1.096 70 HG23 VAL 532 3HG2 VAL 532 -8.723 -1.663 -1.075 71 H ALA 533 H ALA 533 -6.371 -1.732 -0.207 72 HA ALA 533 HA ALA 533 -5.132 -4.067 0.823 73 HB1 ALA 533 1HB ALA 533 -4.487 -2.119 1.901 74 HB2 ALA 533 2HB ALA 533 -6.143 -1.526 2.041 75 HB3 ALA 533 3HB ALA 533 -5.592 -2.856 3.062 76 H ILE 534 H ILE 534 -6.018 -5.876 1.565 77 HA ILE 534 HA ILE 534 -8.895 -5.872 2.187 78 HB ILE 534 HB ILE 534 -8.733 -8.363 1.841 79 HG12 ILE 534 1HG1 ILE 534 -6.210 -7.860 0.314 80 HG13 ILE 534 2HG1 ILE 534 -6.112 -8.151 2.046 81 HG21 ILE 534 1HG2 ILE 534 -9.767 -7.318 0.082 82 HG22 ILE 534 2HG2 ILE 534 -8.360 -6.327 -0.299 83 HG23 ILE 534 3HG2 ILE 534 -8.380 -8.034 -0.739 84 HD11 ILE 534 1HD1 ILE 534 -7.764 -10.071 0.579 85 HD12 ILE 534 2HD1 ILE 534 -6.053 -10.076 0.150 86 HD13 ILE 534 3HD1 ILE 534 -6.544 -10.333 1.825 87 H LYS 535 H LYS 535 -5.777 -6.277 3.509 88 HA LYS 535 HA LYS 535 -6.966 -7.263 6.015 89 HB2 LYS 535 1HB LYS 535 -4.204 -7.966 5.011 90 HB3 LYS 535 2HB LYS 535 -4.980 -8.567 6.470 91 HG2 LYS 535 1HG LYS 535 -6.791 -9.401 4.740 92 HG3 LYS 535 2HG LYS 535 -5.418 -9.324 3.634 93 HD2 LYS 535 1HD LYS 535 -5.234 -11.480 4.418 94 HD3 LYS 535 2HD LYS 535 -4.189 -10.620 5.551 95 HE2 LYS 535 1HE LYS 535 -6.409 -10.386 6.929 96 HE3 LYS 535 2HE LYS 535 -6.908 -11.778 5.969 97 HZ1 LYS 535 1HZ LYS 535 -5.480 -11.883 8.267 98 HZ2 LYS 535 2HZ LYS 535 -4.277 -12.051 7.090 99 HZ3 LYS 535 3HZ LYS 535 -5.583 -13.126 7.123 100 HA PRO 536 HA PRO 536 -5.233 -3.519 7.627 101 HB2 PRO 536 1HB PRO 536 -5.677 -4.053 10.252 102 HB3 PRO 536 2HB PRO 536 -6.962 -3.562 9.141 103 HG2 PRO 536 1HG PRO 536 -6.228 -6.303 10.096 104 HG3 PRO 536 2HG PRO 536 -7.835 -5.578 9.905 105 HD2 PRO 536 1HD PRO 536 -6.782 -7.286 8.087 106 HD3 PRO 536 2HD PRO 536 -7.878 -5.964 7.633 107 H TYR 537 H TYR 537 -3.323 -2.843 8.531 108 HA TYR 537 HA TYR 537 -1.656 -4.594 10.079 109 HB2 TYR 537 1HB TYR 537 -1.415 -4.874 7.345 110 HB3 TYR 537 2HB TYR 537 -0.130 -3.736 7.734 111 HD1 TYR 537 1HD TYR 537 -1.521 -7.021 8.829 112 HD2 TYR 537 2HD TYR 537 1.919 -4.545 8.463 113 HE1 TYR 537 1HE TYR 537 -0.106 -8.888 9.579 114 HE2 TYR 537 2HE TYR 537 3.344 -6.405 9.211 115 HH TYR 537 HH TYR 537 3.394 -8.671 9.536 116 H GLN 538 H GLN 538 0.213 -3.535 10.926 117 HA GLN 538 HA GLN 538 0.110 -0.602 10.664 118 HB2 GLN 538 1HB GLN 538 0.490 -2.354 13.070 119 HB3 GLN 538 2HB GLN 538 1.134 -0.718 13.054 120 HG2 GLN 538 1HG GLN 538 -1.742 -1.546 12.766 121 HG3 GLN 538 2HG GLN 538 -1.002 -0.697 14.122 122 HE21 GLN 538 1HE2 GLN 538 -0.936 2.447 12.523 123 HE22 GLN 538 2HE2 GLN 538 -0.163 1.454 13.707 124 HA PRO 539 HA PRO 539 4.355 -0.542 9.561 125 HB2 PRO 539 1HB PRO 539 5.230 1.707 10.804 126 HB3 PRO 539 2HB PRO 539 4.171 1.742 9.389 127 HG2 PRO 539 1HG PRO 539 3.473 2.034 12.286 128 HG3 PRO 539 2HG PRO 539 2.879 2.958 10.892 129 HD2 PRO 539 1HD PRO 539 1.450 0.959 12.033 130 HD3 PRO 539 2HD PRO 539 1.364 1.325 10.297 131 H GLN 540 H GLN 540 5.982 -1.763 10.263 132 HA GLN 540 HA GLN 540 6.770 -1.596 13.089 133 HB2 GLN 540 1HB GLN 540 5.804 -3.942 11.612 134 HB3 GLN 540 2HB GLN 540 7.315 -4.208 12.472 135 HG2 GLN 540 1HG GLN 540 6.307 -4.243 14.454 136 HG3 GLN 540 2HG GLN 540 5.330 -2.823 14.081 137 HE21 GLN 540 1HE2 GLN 540 2.722 -4.816 12.551 138 HE22 GLN 540 2HE2 GLN 540 3.683 -3.423 12.203 139 H VAL 541 H VAL 541 7.701 -0.958 10.106 140 HA VAL 541 HA VAL 541 10.521 -1.408 10.725 141 HB VAL 541 HB VAL 541 9.425 -2.089 7.999 142 HG11 VAL 541 1HG1 VAL 541 12.106 -2.048 9.267 143 HG12 VAL 541 2HG1 VAL 541 11.761 -3.350 8.126 144 HG13 VAL 541 3HG1 VAL 541 11.628 -1.667 7.612 145 HG21 VAL 541 1HG2 VAL 541 8.518 -3.741 9.435 146 HG22 VAL 541 2HG2 VAL 541 9.934 -4.467 8.676 147 HG23 VAL 541 3HG2 VAL 541 10.027 -3.887 10.337 148 H ASP 542 H ASP 542 11.957 -0.003 9.613 149 HA ASP 542 HA ASP 542 11.055 2.615 9.294 150 HB2 ASP 542 1HB ASP 542 13.572 1.255 8.330 151 HB3 ASP 542 2HB ASP 542 13.296 2.987 8.167 152 H GLY 543 H GLY 543 9.665 3.303 7.802 153 HA2 GLY 543 1HA GLY 543 9.425 4.031 5.502 154 HA3 GLY 543 2HA GLY 543 10.154 2.512 5.003 155 H GLU 544 H GLU 544 8.616 0.862 6.802 156 HA GLU 544 HA GLU 544 6.488 0.158 5.196 157 HB2 GLU 544 1HB GLU 544 7.248 -0.387 8.012 158 HB3 GLU 544 2HB GLU 544 5.584 -0.737 7.563 159 HG2 GLU 544 1HG GLU 544 6.422 -2.146 5.714 160 HG3 GLU 544 2HG GLU 544 8.065 -1.859 6.283 161 H ILE 545 H ILE 545 4.165 0.279 5.603 162 HA ILE 545 HA ILE 545 3.312 2.656 7.092 163 HB ILE 545 HB ILE 545 1.653 2.974 5.076 164 HG12 ILE 545 1HG1 ILE 545 4.075 1.764 3.723 165 HG13 ILE 545 2HG1 ILE 545 2.493 1.000 3.839 166 HG21 ILE 545 1HG2 ILE 545 3.574 4.453 6.022 167 HG22 ILE 545 2HG2 ILE 545 4.433 3.938 4.571 168 HG23 ILE 545 3HG2 ILE 545 2.903 4.802 4.428 169 HD11 ILE 545 1HD1 ILE 545 1.738 2.116 2.080 170 HD12 ILE 545 2HD1 ILE 545 2.326 3.656 2.710 171 HD13 ILE 545 3HD1 ILE 545 3.407 2.607 1.792 172 HA PRO 546 HA PRO 546 -0.077 0.218 8.444 173 HB2 PRO 546 1HB PRO 546 -2.077 2.049 8.579 174 HB3 PRO 546 2HB PRO 546 -0.727 2.013 9.721 175 HG2 PRO 546 1HG PRO 546 -1.126 3.747 7.313 176 HG3 PRO 546 2HG PRO 546 -0.526 4.189 8.923 177 HD2 PRO 546 1HD PRO 546 1.124 3.782 6.815 178 HD3 PRO 546 2HD PRO 546 1.597 3.406 8.484 179 H LEU 547 H LEU 547 -2.328 -0.454 7.923 180 HA LEU 547 HA LEU 547 -3.217 0.094 5.208 181 HB2 LEU 547 1HB LEU 547 -2.333 -2.607 6.179 182 HB3 LEU 547 2HB LEU 547 -3.460 -2.418 4.838 183 HG LEU 547 HG LEU 547 -0.754 -1.117 4.799 184 HD11 LEU 547 1HD1 LEU 547 -0.756 -3.463 3.213 185 HD12 LEU 547 2HD1 LEU 547 -1.253 -3.914 4.844 186 HD13 LEU 547 3HD1 LEU 547 0.273 -3.068 4.591 187 HD21 LEU 547 1HD2 LEU 547 -1.242 -0.588 2.677 188 HD22 LEU 547 2HD2 LEU 547 -2.915 -0.873 3.157 189 HD23 LEU 547 3HD2 LEU 547 -1.997 -2.149 2.355 190 H HIS 548 H HIS 548 -5.389 -0.540 4.806 191 HA HIS 548 HA HIS 548 -6.921 -1.584 7.058 192 HB2 HIS 548 1HB HIS 548 -6.763 1.081 6.883 193 HB3 HIS 548 2HB HIS 548 -8.075 0.818 5.738 194 HD1 HIS 548 1HD HIS 548 -7.323 0.956 9.331 195 HD2 HIS 548 2HD HIS 548 -10.408 -0.407 6.905 196 HE1 HIS 548 1HE HIS 548 -9.288 0.627 10.864 197 H ARG 549 H ARG 549 -8.943 -2.460 6.482 198 HA ARG 549 HA ARG 549 -9.045 -3.581 3.880 199 HB2 ARG 549 1HB ARG 549 -11.211 -3.489 5.987 200 HB3 ARG 549 2HB ARG 549 -11.166 -4.563 4.596 201 HG2 ARG 549 1HG ARG 549 -8.931 -5.383 5.570 202 HG3 ARG 549 2HG ARG 549 -9.469 -4.603 7.058 203 HD2 ARG 549 1HD ARG 549 -10.052 -6.986 7.008 204 HD3 ARG 549 2HD ARG 549 -11.484 -5.957 7.067 205 HE ARG 549 HE ARG 549 -10.797 -6.627 4.390 206 HH11 ARG 549 1HH1 ARG 549 -12.292 -7.882 7.273 207 HH12 ARG 549 2HH1 ARG 549 -13.300 -9.003 6.420 208 HH21 ARG 549 1HH2 ARG 549 -12.119 -8.099 3.256 209 HH22 ARG 549 2HH2 ARG 549 -13.200 -9.126 4.134 210 H GLY 550 H GLY 550 -9.547 -2.464 2.111 211 HA2 GLY 550 1HA GLY 550 -11.358 -1.520 0.802 212 HA3 GLY 550 2HA GLY 550 -11.872 -0.653 2.241 213 H ASP 551 H ASP 551 -8.563 -0.560 2.126 214 HA ASP 551 HA ASP 551 -8.605 2.203 1.230 215 HB2 ASP 551 1HB ASP 551 -6.993 0.628 3.021 216 HB3 ASP 551 2HB ASP 551 -5.961 1.427 1.838 217 H ARG 552 H ARG 552 -7.911 2.910 -0.687 218 HA ARG 552 HA ARG 552 -7.048 0.979 -2.658 219 HB2 ARG 552 1HB ARG 552 -8.240 3.623 -2.665 220 HB3 ARG 552 2HB ARG 552 -6.899 3.521 -3.798 221 HG2 ARG 552 1HG ARG 552 -9.005 2.992 -4.883 222 HG3 ARG 552 2HG ARG 552 -7.936 1.588 -4.864 223 HD2 ARG 552 1HD ARG 552 -9.388 0.388 -3.673 224 HD3 ARG 552 2HD ARG 552 -9.623 1.694 -2.512 225 HE ARG 552 HE ARG 552 -11.343 0.999 -4.677 226 HH11 ARG 552 1HH1 ARG 552 -10.195 3.664 -2.754 227 HH12 ARG 552 2HH1 ARG 552 -11.610 4.629 -3.010 228 HH21 ARG 552 1HH2 ARG 552 -13.213 2.260 -5.021 229 HH22 ARG 552 2HH2 ARG 552 -13.327 3.829 -4.300 230 H VAL 553 H VAL 553 -4.973 0.354 -2.362 231 HA VAL 553 HA VAL 553 -2.913 2.325 -1.783 232 HB VAL 553 HB VAL 553 -2.729 -0.671 -2.123 233 HG11 VAL 553 1HG1 VAL 553 -0.505 0.171 -0.731 234 HG12 VAL 553 2HG1 VAL 553 -0.548 -0.304 -2.430 235 HG13 VAL 553 3HG1 VAL 553 -0.689 1.398 -1.985 236 HG21 VAL 553 1HG2 VAL 553 -3.699 0.861 0.005 237 HG22 VAL 553 2HG2 VAL 553 -3.277 -0.851 0.026 238 HG23 VAL 553 3HG2 VAL 553 -2.079 0.357 0.487 239 H LYS 554 H LYS 554 -1.531 3.148 -3.229 240 HA LYS 554 HA LYS 554 -1.742 2.215 -6.003 241 HB2 LYS 554 1HB LYS 554 -2.233 4.594 -5.580 242 HB3 LYS 554 2HB LYS 554 -0.619 4.803 -4.913 243 HG2 LYS 554 1HG LYS 554 0.404 4.535 -6.998 244 HG3 LYS 554 2HG LYS 554 -1.043 3.820 -7.713 245 HD2 LYS 554 1HD LYS 554 -0.829 6.065 -8.528 246 HD3 LYS 554 2HD LYS 554 -2.194 6.010 -7.410 247 HE2 LYS 554 1HE LYS 554 -0.759 7.999 -7.091 248 HE3 LYS 554 2HE LYS 554 -0.853 6.979 -5.656 249 HZ1 LYS 554 1HZ LYS 554 1.335 6.419 -7.485 250 HZ2 LYS 554 2HZ LYS 554 1.313 6.432 -5.795 251 HZ3 LYS 554 3HZ LYS 554 1.431 7.886 -6.649 252 H VAL 555 H VAL 555 -0.272 0.664 -6.375 253 HA VAL 555 HA VAL 555 2.241 0.485 -5.079 254 HB VAL 555 HB VAL 555 1.312 -0.827 -7.638 255 HG11 VAL 555 1HG1 VAL 555 3.746 -0.812 -7.454 256 HG12 VAL 555 2HG1 VAL 555 3.634 -1.512 -5.837 257 HG13 VAL 555 3HG1 VAL 555 3.104 -2.440 -7.240 258 HG21 VAL 555 1HG2 VAL 555 0.968 -2.798 -6.141 259 HG22 VAL 555 2HG2 VAL 555 1.248 -1.733 -4.764 260 HG23 VAL 555 3HG2 VAL 555 -0.127 -1.451 -5.831 261 H LEU 556 H LEU 556 4.299 0.971 -5.792 262 HA LEU 556 HA LEU 556 4.490 2.601 -8.236 263 HB2 LEU 556 1HB LEU 556 5.888 3.095 -5.610 264 HB3 LEU 556 2HB LEU 556 6.153 4.006 -7.095 265 HG LEU 556 HG LEU 556 3.644 3.951 -5.422 266 HD11 LEU 556 1HD1 LEU 556 5.178 5.367 -4.375 267 HD12 LEU 556 2HD1 LEU 556 4.195 6.446 -5.363 268 HD13 LEU 556 3HD1 LEU 556 5.804 5.974 -5.907 269 HD21 LEU 556 1HD2 LEU 556 4.028 4.557 -8.219 270 HD22 LEU 556 2HD2 LEU 556 3.455 5.969 -7.330 271 HD23 LEU 556 3HD2 LEU 556 2.538 4.463 -7.282 272 H SER 557 H SER 557 6.217 0.582 -5.896 273 HA SER 557 HA SER 557 7.801 -0.543 -8.055 274 HB2 SER 557 1HB SER 557 9.003 1.516 -7.016 275 HB3 SER 557 2HB SER 557 9.293 0.449 -5.641 276 HG SER 557 HG SER 557 10.502 0.505 -8.076 277 H ILE 558 H ILE 558 8.684 -2.571 -7.574 278 HA ILE 558 HA ILE 558 7.236 -4.106 -5.688 279 HB ILE 558 HB ILE 558 9.780 -4.857 -7.135 280 HG12 ILE 558 1HG1 ILE 558 7.929 -4.138 -8.639 281 HG13 ILE 558 2HG1 ILE 558 8.357 -5.835 -8.832 282 HG21 ILE 558 1HG2 ILE 558 9.629 -6.566 -5.662 283 HG22 ILE 558 2HG2 ILE 558 7.906 -6.316 -5.380 284 HG23 ILE 558 3HG2 ILE 558 8.449 -7.162 -6.830 285 HD11 ILE 558 1HD1 ILE 558 6.301 -6.485 -8.331 286 HD12 ILE 558 2HD1 ILE 558 6.265 -5.488 -6.876 287 HD13 ILE 558 3HD1 ILE 558 5.828 -4.789 -8.436 288 H GLY 559 H GLY 559 7.882 -5.077 -3.767 289 HA2 GLY 559 1HA GLY 559 10.003 -3.641 -2.359 290 HA3 GLY 559 2HA GLY 559 8.771 -4.656 -1.625 291 H GLU 560 H GLU 560 10.168 -5.897 -0.413 292 HA GLU 560 HA GLU 560 11.790 -7.792 -1.962 293 HB2 GLU 560 1HB GLU 560 13.532 -7.715 -0.203 294 HB3 GLU 560 2HB GLU 560 13.358 -6.188 -1.056 295 HG2 GLU 560 1HG GLU 560 13.370 -5.317 1.004 296 HG3 GLU 560 2HG GLU 560 11.671 -5.786 1.008 297 H GLY 561 H GLY 561 11.190 -9.809 -1.557 298 HA2 GLY 561 1HA GLY 561 10.543 -11.688 -0.383 299 HA3 GLY 561 2HA GLY 561 10.712 -10.762 1.100 300 H GLY 562 H GLY 562 8.597 -10.626 -1.775 301 HA2 GLY 562 1HA GLY 562 6.299 -10.686 -1.932 302 HA3 GLY 562 2HA GLY 562 6.256 -11.258 -0.271 303 H PHE 563 H PHE 563 7.997 -8.367 -0.709 304 HA PHE 563 HA PHE 563 5.858 -6.884 0.617 305 HB2 PHE 563 1HB PHE 563 8.770 -6.793 0.627 306 HB3 PHE 563 2HB PHE 563 8.057 -5.197 0.418 307 HD1 PHE 563 1HD PHE 563 6.354 -4.412 2.111 308 HD2 PHE 563 2HD PHE 563 8.825 -7.824 2.721 309 HE1 PHE 563 1HE PHE 563 5.924 -4.288 4.531 310 HE2 PHE 563 2HE PHE 563 8.398 -7.706 5.141 311 HZ PHE 563 HZ PHE 563 6.944 -5.936 6.049 312 H TRP 564 H TRP 564 5.891 -4.430 -0.013 313 HA TRP 564 HA TRP 564 6.243 -3.989 -2.861 314 HB2 TRP 564 1HB TRP 564 3.726 -4.764 -1.840 315 HB3 TRP 564 2HB TRP 564 3.614 -3.040 -2.184 316 HD1 TRP 564 HD TRP 564 5.546 -3.096 -4.791 317 HE1 TRP 564 1HE TRP 564 4.605 -4.074 -6.978 318 HE3 TRP 564 3HE TRP 564 1.741 -5.910 -2.853 319 HZ2 TRP 564 2HZ TRP 564 2.526 -5.808 -7.777 320 HZ3 TRP 564 3HZ TRP 564 0.323 -7.197 -4.397 321 HH2 TRP 564 HH TRP 564 0.709 -7.146 -6.808 322 H GLU 565 H GLU 565 5.970 -1.733 -3.470 323 HA GLU 565 HA GLU 565 6.150 0.111 -1.181 324 HB2 GLU 565 1HB GLU 565 8.292 -0.543 -2.703 325 HB3 GLU 565 2HB GLU 565 7.666 0.823 -3.617 326 HG2 GLU 565 1HG GLU 565 7.733 2.183 -1.559 327 HG3 GLU 565 2HG GLU 565 8.463 0.818 -0.715 328 H GLY 566 H GLY 566 4.501 1.481 -1.233 329 HA2 GLY 566 1HA GLY 566 3.898 2.985 -3.608 330 HA3 GLY 566 2HA GLY 566 2.637 1.835 -3.192 331 H SER 567 H SER 567 1.224 3.649 -2.906 332 HA SER 567 HA SER 567 1.653 5.027 -0.336 333 HB2 SER 567 1HB SER 567 1.789 6.504 -2.389 334 HB3 SER 567 2HB SER 567 0.083 6.148 -2.663 335 HG SER 567 HG SER 567 0.058 7.966 -1.471 336 H ALA 568 H ALA 568 -0.183 5.392 0.967 337 HA ALA 568 HA ALA 568 -2.776 4.444 0.215 338 HB1 ALA 568 1HB ALA 568 -2.915 2.435 1.252 339 HB2 ALA 568 2HB ALA 568 -1.186 2.406 0.901 340 HB3 ALA 568 3HB ALA 568 -1.752 2.875 2.504 341 H ARG 569 H ARG 569 -4.260 5.527 1.348 342 HA ARG 569 HA ARG 569 -5.233 6.856 2.917 343 HB2 ARG 569 1HB ARG 569 -4.363 4.865 4.361 344 HB3 ARG 569 2HB ARG 569 -3.166 6.023 4.925 345 HG2 ARG 569 1HG ARG 569 -4.691 7.248 6.084 346 HG3 ARG 569 2HG ARG 569 -6.014 6.845 4.987 347 HD2 ARG 569 1HD ARG 569 -6.241 4.673 5.940 348 HD3 ARG 569 2HD ARG 569 -4.754 4.861 6.869 349 HE ARG 569 HE ARG 569 -6.602 6.878 7.571 350 HH11 ARG 569 1HH1 ARG 569 -6.009 3.469 7.952 351 HH12 ARG 569 2HH1 ARG 569 -6.848 3.360 9.464 352 HH21 ARG 569 1HH2 ARG 569 -7.708 6.747 9.562 353 HH22 ARG 569 2HH2 ARG 569 -7.814 5.225 10.379 354 H GLY 570 H GLY 570 -2.871 7.737 1.306 355 HA2 GLY 570 1HA GLY 570 -1.945 9.852 1.037 356 HA3 GLY 570 2HA GLY 570 -2.514 10.276 2.645 357 H HIS 571 H HIS 571 -0.756 7.347 2.395 358 HA HIS 571 HA HIS 571 1.700 8.692 3.303 359 HB2 HIS 571 1HB HIS 571 0.561 6.135 4.451 360 HB3 HIS 571 2HB HIS 571 2.053 6.925 4.953 361 HD1 HIS 571 1HD HIS 571 -0.871 6.381 6.477 362 HD2 HIS 571 2HD HIS 571 0.929 9.960 5.372 363 HE1 HIS 571 1HE HIS 571 -1.881 8.132 7.973 364 H ILE 572 H ILE 572 3.482 8.104 2.246 365 HA ILE 572 HA ILE 572 3.312 5.808 0.426 366 HB ILE 572 HB ILE 572 5.278 8.101 0.448 367 HG12 ILE 572 1HG1 ILE 572 3.488 7.738 -1.854 368 HG13 ILE 572 2HG1 ILE 572 2.654 8.147 -0.358 369 HG21 ILE 572 1HG2 ILE 572 6.561 6.785 -0.803 370 HG22 ILE 572 2HG2 ILE 572 5.322 5.531 -0.857 371 HG23 ILE 572 3HG2 ILE 572 5.302 6.840 -2.037 372 HD11 ILE 572 1HD1 ILE 572 4.267 9.803 -2.103 373 HD12 ILE 572 2HD1 ILE 572 3.097 10.261 -0.863 374 HD13 ILE 572 3HD1 ILE 572 4.767 9.911 -0.415 375 H GLY 573 H GLY 573 4.404 4.003 0.842 376 HA2 GLY 573 1HA GLY 573 7.013 3.922 1.921 377 HA3 GLY 573 2HA GLY 573 5.850 3.575 3.192 378 H TRP 574 H TRP 574 6.864 1.477 3.322 379 HA TRP 574 HA TRP 574 6.328 -0.315 1.070 380 HB2 TRP 574 1HB TRP 574 8.205 -0.325 3.361 381 HB3 TRP 574 2HB TRP 574 7.576 -1.896 2.870 382 HD1 TRP 574 HD TRP 574 8.066 -2.601 0.241 383 HE1 TRP 574 1HE TRP 574 10.097 -2.048 -1.241 384 HE3 TRP 574 3HE TRP 574 9.942 1.358 2.877 385 HZ2 TRP 574 2HZ TRP 574 12.213 -0.182 -1.286 386 HZ3 TRP 574 3HZ TRP 574 11.972 2.471 2.047 387 HH2 TRP 574 HH TRP 574 13.084 1.716 0.008 388 H PHE 575 H PHE 575 5.412 -2.461 1.532 389 HA PHE 575 HA PHE 575 3.998 -2.984 3.930 390 HB2 PHE 575 1HB PHE 575 1.705 -2.736 3.109 391 HB3 PHE 575 2HB PHE 575 2.545 -1.189 3.087 392 HD1 PHE 575 1HD PHE 575 2.845 0.011 1.082 393 HD2 PHE 575 2HD PHE 575 1.372 -3.980 0.976 394 HE1 PHE 575 1HE PHE 575 2.274 0.289 -1.295 395 HE2 PHE 575 2HE PHE 575 0.799 -3.710 -1.401 396 HZ PHE 575 HZ PHE 575 1.250 -1.574 -2.540 397 HA PRO 576 HA PRO 576 4.058 -7.031 2.233 398 HB2 PRO 576 1HB PRO 576 1.966 -8.172 3.534 399 HB3 PRO 576 2HB PRO 576 3.495 -7.786 4.329 400 HG2 PRO 576 1HG PRO 576 0.921 -6.260 4.331 401 HG3 PRO 576 2HG PRO 576 2.024 -6.594 5.679 402 HD2 PRO 576 1HD PRO 576 1.989 -4.219 4.380 403 HD3 PRO 576 2HD PRO 576 3.471 -4.903 5.079 404 H ALA 577 H ALA 577 3.386 -7.866 0.361 405 HA ALA 577 HA ALA 577 1.255 -6.758 -1.115 406 HB1 ALA 577 1HB ALA 577 3.295 -7.881 -2.054 407 HB2 ALA 577 2HB ALA 577 2.552 -9.424 -1.632 408 HB3 ALA 577 3HB ALA 577 1.768 -8.357 -2.797 409 H GLU 578 H GLU 578 1.445 -9.449 1.084 410 HA GLU 578 HA GLU 578 -0.889 -10.817 0.285 411 HB2 GLU 578 1HB GLU 578 -0.815 -11.793 2.588 412 HB3 GLU 578 2HB GLU 578 0.693 -11.934 1.695 413 HG2 GLU 578 1HG GLU 578 1.782 -10.401 3.019 414 HG3 GLU 578 2HG GLU 578 0.286 -9.624 3.533 415 H CYS 579 H CYS 579 -0.466 -7.814 1.788 416 HA CYS 579 HA CYS 579 -3.042 -7.848 3.142 417 HB2 CYS 579 1HB CYS 579 -0.658 -6.105 3.148 418 HB3 CYS 579 2HB CYS 579 -2.196 -5.274 3.343 419 HG CYS 579 HG CYS 579 -1.256 -7.897 5.324 420 H VAL 580 H VAL 580 -1.784 -7.087 0.090 421 HA VAL 580 HA VAL 580 -4.113 -5.393 -0.540 422 HB VAL 580 HB VAL 580 -2.755 -4.799 -2.620 423 HG11 VAL 580 1HG1 VAL 580 -3.091 -3.449 -0.441 424 HG12 VAL 580 2HG1 VAL 580 -1.408 -3.868 -0.112 425 HG13 VAL 580 3HG1 VAL 580 -1.824 -2.953 -1.563 426 HG21 VAL 580 1HG2 VAL 580 -0.549 -5.981 -0.935 427 HG22 VAL 580 2HG2 VAL 580 -1.122 -6.597 -2.486 428 HG23 VAL 580 3HG2 VAL 580 -0.317 -5.030 -2.403 429 H GLU 581 H GLU 581 -5.199 -5.741 -2.552 430 HA GLU 581 HA GLU 581 -4.693 -8.289 -3.892 431 HB2 GLU 581 1HB GLU 581 -6.352 -8.712 -2.080 432 HB3 GLU 581 2HB GLU 581 -7.419 -7.532 -2.829 433 HG2 GLU 581 1HG GLU 581 -8.050 -9.816 -3.395 434 HG3 GLU 581 2HG GLU 581 -7.578 -8.896 -4.822 435 H GLU 582 H GLU 582 -5.523 -8.421 -6.002 436 HA GLU 582 HA GLU 582 -5.740 -5.895 -7.334 437 HB2 GLU 582 1HB GLU 582 -5.804 -8.760 -8.235 438 HB3 GLU 582 2HB GLU 582 -6.200 -7.459 -9.350 439 HG2 GLU 582 1HG GLU 582 -3.915 -6.480 -8.482 440 HG3 GLU 582 2HG GLU 582 -3.600 -8.175 -8.112 441 H VAL 583 H VAL 583 -7.495 -5.051 -8.458 442 HA VAL 583 HA VAL 583 -9.989 -5.190 -7.292 443 HB VAL 583 HB VAL 583 -9.475 -4.514 -10.191 444 HG11 VAL 583 1HG1 VAL 583 -11.806 -4.694 -9.827 445 HG12 VAL 583 2HG1 VAL 583 -11.703 -3.851 -8.281 446 HG13 VAL 583 3HG1 VAL 583 -11.433 -2.971 -9.786 447 HG21 VAL 583 1HG2 VAL 583 -9.090 -2.930 -7.673 448 HG22 VAL 583 2HG2 VAL 583 -7.981 -3.147 -9.027 449 HG23 VAL 583 3HG2 VAL 583 -9.414 -2.137 -9.215 450 H GLN 584 H GLN 584 -11.863 -6.311 -7.654 451 HA GLN 584 HA GLN 584 -11.751 -8.500 -9.619 452 HB2 GLN 584 1HB GLN 584 -12.883 -9.968 -8.047 453 HB3 GLN 584 2HB GLN 584 -11.385 -9.374 -7.345 454 HG2 GLN 584 1HG GLN 584 -12.764 -9.101 -5.569 455 HG3 GLN 584 2HG GLN 584 -12.987 -7.536 -6.347 456 HE21 GLN 584 1HE2 GLN 584 -16.402 -8.088 -6.071 457 HE22 GLN 584 2HE2 GLN 584 -15.024 -7.158 -5.602 458 H SER 585 H SER 585 -13.465 -8.666 -10.927 459 HA SER 585 HA SER 585 -15.729 -6.868 -10.434 460 HB2 SER 585 1HB SER 585 -14.357 -6.843 -12.620 461 HB3 SER 585 2HB SER 585 -15.205 -8.340 -13.010 462 HG SER 585 HG SER 585 -16.910 -7.213 -13.474 Start of MODEL 2 1 H1 MET 525 H MET 525 6.577 -9.094 -16.376 2 HA MET 525 HA MET 525 4.294 -8.336 -14.677 3 HB2 MET 525 1HB MET 525 5.234 -10.719 -14.591 4 HB3 MET 525 2HB MET 525 6.637 -10.014 -13.801 5 HG2 MET 525 1HG MET 525 5.029 -9.044 -12.109 6 HG3 MET 525 2HG MET 525 3.804 -10.092 -12.821 7 HE1 MET 525 1HE MET 525 3.762 -12.806 -12.450 8 HE2 MET 525 2HE MET 525 5.092 -12.612 -13.593 9 HE3 MET 525 3HE MET 525 5.289 -13.644 -12.175 10 H VAL 526 H VAL 526 4.692 -6.154 -14.466 11 HA VAL 526 HA VAL 526 7.046 -5.471 -12.851 12 HB VAL 526 HB VAL 526 7.099 -3.252 -14.135 13 HG11 VAL 526 1HG1 VAL 526 8.780 -4.042 -15.535 14 HG12 VAL 526 2HG1 VAL 526 8.715 -5.259 -14.259 15 HG13 VAL 526 3HG1 VAL 526 7.957 -5.575 -15.820 16 HG21 VAL 526 1HG2 VAL 526 6.331 -3.330 -16.444 17 HG22 VAL 526 2HG2 VAL 526 5.678 -4.948 -16.188 18 HG23 VAL 526 3HG2 VAL 526 4.981 -3.572 -15.333 19 HA PRO 527 HA PRO 527 4.254 -3.219 -10.322 20 HB2 PRO 527 1HB PRO 527 5.820 -1.170 -9.477 21 HB3 PRO 527 2HB PRO 527 6.024 -2.831 -8.909 22 HG2 PRO 527 1HG PRO 527 7.549 -1.349 -11.015 23 HG3 PRO 527 2HG PRO 527 8.156 -2.424 -9.742 24 HD2 PRO 527 1HD PRO 527 7.839 -3.236 -12.306 25 HD3 PRO 527 2HD PRO 527 7.626 -4.330 -10.925 26 H GLY 528 H GLY 528 2.967 -1.334 -10.188 27 HA2 GLY 528 1HA GLY 528 2.787 1.050 -10.991 28 HA3 GLY 528 2HA GLY 528 3.145 0.389 -12.580 29 H ARG 529 H ARG 529 1.078 -1.161 -10.200 30 HA ARG 529 HA ARG 529 -1.236 -0.593 -11.935 31 HB2 ARG 529 1HB ARG 529 -0.473 -3.152 -10.533 32 HB3 ARG 529 2HB ARG 529 -2.096 -2.852 -11.141 33 HG2 ARG 529 1HG ARG 529 0.263 -2.580 -12.954 34 HG3 ARG 529 2HG ARG 529 -0.412 -4.169 -12.593 35 HD2 ARG 529 1HD ARG 529 -2.244 -1.975 -13.436 36 HD3 ARG 529 2HD ARG 529 -1.254 -2.778 -14.655 37 HE ARG 529 HE ARG 529 -3.578 -3.816 -13.407 38 HH11 ARG 529 1HH1 ARG 529 -0.450 -4.746 -14.616 39 HH12 ARG 529 2HH1 ARG 529 -0.923 -6.377 -14.962 40 HH21 ARG 529 1HH2 ARG 529 -4.214 -5.960 -13.856 41 HH22 ARG 529 2HH2 ARG 529 -3.064 -7.067 -14.529 42 H LEU 530 H LEU 530 -3.338 -1.264 -10.627 43 HA LEU 530 HA LEU 530 -3.216 0.282 -8.140 44 HB2 LEU 530 1HB LEU 530 -5.346 -0.321 -10.133 45 HB3 LEU 530 2HB LEU 530 -5.817 0.042 -8.474 46 HG LEU 530 HG LEU 530 -5.969 2.027 -9.855 47 HD11 LEU 530 1HD1 LEU 530 -5.236 2.179 -7.471 48 HD12 LEU 530 2HD1 LEU 530 -4.727 3.529 -8.484 49 HD13 LEU 530 3HD1 LEU 530 -3.572 2.271 -8.049 50 HD21 LEU 530 1HD2 LEU 530 -4.438 2.670 -11.356 51 HD22 LEU 530 2HD2 LEU 530 -3.802 1.034 -11.192 52 HD23 LEU 530 3HD2 LEU 530 -3.092 2.353 -10.261 53 H PHE 531 H PHE 531 -3.922 -0.507 -6.194 54 HA PHE 531 HA PHE 531 -4.973 -3.232 -6.080 55 HB2 PHE 531 1HB PHE 531 -2.407 -2.294 -4.822 56 HB3 PHE 531 2HB PHE 531 -3.325 -3.623 -4.122 57 HD1 PHE 531 1HD PHE 531 -1.559 -2.499 -7.167 58 HD2 PHE 531 2HD PHE 531 -3.220 -5.786 -5.033 59 HE1 PHE 531 1HE PHE 531 -0.492 -4.058 -8.744 60 HE2 PHE 531 2HE PHE 531 -2.156 -7.350 -6.606 61 HZ PHE 531 HZ PHE 531 -0.789 -6.486 -8.464 62 H VAL 532 H VAL 532 -5.933 -3.771 -4.018 63 HA VAL 532 HA VAL 532 -6.620 -1.411 -2.393 64 HB VAL 532 HB VAL 532 -8.546 -1.928 -3.754 65 HG11 VAL 532 1HG1 VAL 532 -9.632 -4.095 -3.727 66 HG12 VAL 532 2HG1 VAL 532 -7.959 -4.264 -4.263 67 HG13 VAL 532 3HG1 VAL 532 -8.411 -4.720 -2.619 68 HG21 VAL 532 1HG2 VAL 532 -10.175 -2.067 -2.070 69 HG22 VAL 532 2HG2 VAL 532 -9.153 -3.072 -1.042 70 HG23 VAL 532 3HG2 VAL 532 -8.767 -1.366 -1.273 71 H ALA 533 H ALA 533 -6.279 -1.632 -0.279 72 HA ALA 533 HA ALA 533 -5.097 -3.962 0.798 73 HB1 ALA 533 1HB ALA 533 -4.464 -1.987 1.848 74 HB2 ALA 533 2HB ALA 533 -6.127 -1.417 1.995 75 HB3 ALA 533 3HB ALA 533 -5.553 -2.734 3.018 76 H ILE 534 H ILE 534 -5.997 -5.758 1.554 77 HA ILE 534 HA ILE 534 -8.878 -5.729 2.164 78 HB ILE 534 HB ILE 534 -8.744 -8.221 1.805 79 HG12 ILE 534 1HG1 ILE 534 -6.218 -7.723 0.276 80 HG13 ILE 534 2HG1 ILE 534 -6.125 -8.050 2.002 81 HG21 ILE 534 1HG2 ILE 534 -9.774 -7.097 0.073 82 HG22 ILE 534 2HG2 ILE 534 -8.317 -6.203 -0.354 83 HG23 ILE 534 3HG2 ILE 534 -8.453 -7.913 -0.762 84 HD11 ILE 534 1HD1 ILE 534 -7.020 -10.200 1.748 85 HD12 ILE 534 2HD1 ILE 534 -7.586 -9.861 0.112 86 HD13 ILE 534 3HD1 ILE 534 -5.859 -10.018 0.434 87 H LYS 535 H LYS 535 -5.773 -6.131 3.491 88 HA LYS 535 HA LYS 535 -6.961 -7.142 5.987 89 HB2 LYS 535 1HB LYS 535 -4.227 -7.865 4.915 90 HB3 LYS 535 2HB LYS 535 -4.923 -8.414 6.435 91 HG2 LYS 535 1HG LYS 535 -6.802 -9.391 4.967 92 HG3 LYS 535 2HG LYS 535 -5.654 -9.188 3.641 93 HD2 LYS 535 1HD LYS 535 -5.189 -11.342 4.315 94 HD3 LYS 535 2HD LYS 535 -4.014 -10.423 5.260 95 HE2 LYS 535 1HE LYS 535 -5.815 -10.382 7.087 96 HE3 LYS 535 2HE LYS 535 -6.598 -11.660 6.158 97 HZ1 LYS 535 1HZ LYS 535 -5.225 -12.651 7.818 98 HZ2 LYS 535 2HZ LYS 535 -3.882 -11.736 7.351 99 HZ3 LYS 535 3HZ LYS 535 -4.495 -12.926 6.317 100 HA PRO 536 HA PRO 536 -5.218 -3.411 7.618 101 HB2 PRO 536 1HB PRO 536 -5.670 -3.956 10.239 102 HB3 PRO 536 2HB PRO 536 -6.950 -3.456 9.128 103 HG2 PRO 536 1HG PRO 536 -6.229 -6.203 10.073 104 HG3 PRO 536 2HG PRO 536 -7.833 -5.470 9.881 105 HD2 PRO 536 1HD PRO 536 -6.782 -7.174 8.057 106 HD3 PRO 536 2HD PRO 536 -7.872 -5.846 7.608 107 H TYR 537 H TYR 537 -3.303 -2.749 8.518 108 HA TYR 537 HA TYR 537 -1.649 -4.502 10.074 109 HB2 TYR 537 1HB TYR 537 -1.413 -4.831 7.353 110 HB3 TYR 537 2HB TYR 537 -0.132 -3.675 7.705 111 HD1 TYR 537 1HD TYR 537 -1.489 -6.949 8.872 112 HD2 TYR 537 2HD TYR 537 1.927 -4.450 8.446 113 HE1 TYR 537 1HE TYR 537 -0.054 -8.789 9.650 114 HE2 TYR 537 2HE TYR 537 3.372 -6.283 9.223 115 HH TYR 537 HH TYR 537 3.463 -8.374 9.952 116 H GLN 538 H GLN 538 0.226 -3.450 10.915 117 HA GLN 538 HA GLN 538 0.147 -0.519 10.627 118 HB2 GLN 538 1HB GLN 538 0.171 -2.250 12.997 119 HB3 GLN 538 2HB GLN 538 1.348 -0.944 13.053 120 HG2 GLN 538 1HG GLN 538 -0.886 -0.446 14.074 121 HG3 GLN 538 2HG GLN 538 -0.327 0.705 12.861 122 HE21 GLN 538 1HE2 GLN 538 -3.266 0.455 11.093 123 HE22 GLN 538 2HE2 GLN 538 -1.942 1.400 11.676 124 HA PRO 539 HA PRO 539 4.391 -0.470 9.528 125 HB2 PRO 539 1HB PRO 539 5.306 1.732 10.826 126 HB3 PRO 539 2HB PRO 539 4.240 1.820 9.419 127 HG2 PRO 539 1HG PRO 539 3.562 2.045 12.327 128 HG3 PRO 539 2HG PRO 539 2.974 3.013 10.962 129 HD2 PRO 539 1HD PRO 539 1.524 1.005 12.057 130 HD3 PRO 539 2HD PRO 539 1.433 1.418 10.333 131 H GLN 540 H GLN 540 5.910 -1.835 10.209 132 HA GLN 540 HA GLN 540 6.732 -1.736 13.033 133 HB2 GLN 540 1HB GLN 540 6.584 -4.257 11.378 134 HB3 GLN 540 2HB GLN 540 6.961 -4.130 13.091 135 HG2 GLN 540 1HG GLN 540 4.445 -2.905 12.671 136 HG3 GLN 540 2HG GLN 540 4.436 -4.460 11.842 137 HE21 GLN 540 1HE2 GLN 540 3.389 -4.755 15.441 138 HE22 GLN 540 2HE2 GLN 540 2.930 -3.683 14.166 139 H VAL 541 H VAL 541 7.676 -1.035 10.047 140 HA VAL 541 HA VAL 541 10.493 -1.488 10.682 141 HB VAL 541 HB VAL 541 9.442 -2.088 7.921 142 HG11 VAL 541 1HG1 VAL 541 11.642 -1.800 7.535 143 HG12 VAL 541 2HG1 VAL 541 12.078 -2.038 9.229 144 HG13 VAL 541 3HG1 VAL 541 11.771 -3.432 8.193 145 HG21 VAL 541 1HG2 VAL 541 9.858 -4.493 8.534 146 HG22 VAL 541 2HG2 VAL 541 9.948 -3.973 10.217 147 HG23 VAL 541 3HG2 VAL 541 8.455 -3.753 9.304 148 H ASP 542 H ASP 542 11.945 -0.092 9.536 149 HA ASP 542 HA ASP 542 11.028 2.546 9.282 150 HB2 ASP 542 1HB ASP 542 13.304 2.897 8.144 151 HB3 ASP 542 2HB ASP 542 13.308 2.294 9.798 152 H GLY 543 H GLY 543 9.670 3.249 7.769 153 HA2 GLY 543 1HA GLY 543 9.471 4.009 5.476 154 HA3 GLY 543 2HA GLY 543 10.230 2.507 4.969 155 H GLU 544 H GLU 544 8.556 0.989 6.934 156 HA GLU 544 HA GLU 544 6.498 0.230 5.189 157 HB2 GLU 544 1HB GLU 544 7.251 -0.378 7.987 158 HB3 GLU 544 2HB GLU 544 5.576 -0.691 7.553 159 HG2 GLU 544 1HG GLU 544 6.418 -2.044 5.626 160 HG3 GLU 544 2HG GLU 544 8.041 -1.859 6.289 161 H ILE 545 H ILE 545 4.181 0.368 5.518 162 HA ILE 545 HA ILE 545 3.309 2.723 7.042 163 HB ILE 545 HB ILE 545 1.643 3.004 5.010 164 HG12 ILE 545 1HG1 ILE 545 4.117 1.871 3.685 165 HG13 ILE 545 2HG1 ILE 545 2.560 1.056 3.782 166 HG21 ILE 545 1HG2 ILE 545 4.325 4.085 4.395 167 HG22 ILE 545 2HG2 ILE 545 2.774 4.910 4.540 168 HG23 ILE 545 3HG2 ILE 545 3.667 4.447 5.990 169 HD11 ILE 545 1HD1 ILE 545 3.071 2.191 1.606 170 HD12 ILE 545 2HD1 ILE 545 1.543 2.647 2.359 171 HD13 ILE 545 3HD1 ILE 545 2.933 3.727 2.462 172 HA PRO 546 HA PRO 546 -0.074 0.277 8.396 173 HB2 PRO 546 1HB PRO 546 -2.086 2.096 8.508 174 HB3 PRO 546 2HB PRO 546 -0.743 2.079 9.656 175 HG2 PRO 546 1HG PRO 546 -1.142 3.791 7.233 176 HG3 PRO 546 2HG PRO 546 -0.551 4.249 8.841 177 HD2 PRO 546 1HD PRO 546 1.109 3.836 6.743 178 HD3 PRO 546 2HD PRO 546 1.579 3.477 8.417 179 H LEU 547 H LEU 547 -2.345 -0.379 7.878 180 HA LEU 547 HA LEU 547 -3.214 0.128 5.151 181 HB2 LEU 547 1HB LEU 547 -2.322 -2.558 6.154 182 HB3 LEU 547 2HB LEU 547 -3.451 -2.392 4.812 183 HG LEU 547 HG LEU 547 -0.727 -1.118 4.777 184 HD11 LEU 547 1HD1 LEU 547 -0.815 -3.430 3.136 185 HD12 LEU 547 2HD1 LEU 547 -1.291 -3.897 4.768 186 HD13 LEU 547 3HD1 LEU 547 0.250 -3.084 4.498 187 HD21 LEU 547 1HD2 LEU 547 -2.880 -0.759 3.158 188 HD22 LEU 547 2HD2 LEU 547 -2.028 -2.056 2.320 189 HD23 LEU 547 3HD2 LEU 547 -1.202 -0.534 2.663 190 H HIS 548 H HIS 548 -5.384 -0.474 4.753 191 HA HIS 548 HA HIS 548 -6.927 -1.521 6.998 192 HB2 HIS 548 1HB HIS 548 -6.756 1.148 6.816 193 HB3 HIS 548 2HB HIS 548 -8.077 0.883 5.682 194 HD1 HIS 548 1HD HIS 548 -7.185 0.090 9.287 195 HD2 HIS 548 2HD HIS 548 -10.513 0.609 6.856 196 HE1 HIS 548 1HE HIS 548 -9.166 0.008 10.833 197 H ARG 549 H ARG 549 -8.941 -2.400 6.415 198 HA ARG 549 HA ARG 549 -9.043 -3.505 3.805 199 HB2 ARG 549 1HB ARG 549 -11.234 -3.430 5.885 200 HB3 ARG 549 2HB ARG 549 -11.130 -4.527 4.514 201 HG2 ARG 549 1HG ARG 549 -8.914 -5.295 5.551 202 HG3 ARG 549 2HG ARG 549 -9.478 -4.479 7.011 203 HD2 ARG 549 1HD ARG 549 -10.031 -6.874 7.009 204 HD3 ARG 549 2HD ARG 549 -11.470 -5.856 7.047 205 HE ARG 549 HE ARG 549 -10.770 -6.581 4.386 206 HH11 ARG 549 1HH1 ARG 549 -12.280 -7.767 7.290 207 HH12 ARG 549 2HH1 ARG 549 -13.284 -8.907 6.459 208 HH21 ARG 549 1HH2 ARG 549 -12.088 -8.079 3.280 209 HH22 ARG 549 2HH2 ARG 549 -13.174 -9.085 4.177 210 H GLY 550 H GLY 550 -9.568 -2.395 2.041 211 HA2 GLY 550 1HA GLY 550 -11.378 -1.442 0.744 212 HA3 GLY 550 2HA GLY 550 -11.891 -0.584 2.189 213 H ASP 551 H ASP 551 -8.580 -0.485 2.058 214 HA ASP 551 HA ASP 551 -8.631 2.283 1.181 215 HB2 ASP 551 1HB ASP 551 -7.028 0.716 2.971 216 HB3 ASP 551 2HB ASP 551 -5.982 1.476 1.775 217 H ARG 552 H ARG 552 -7.941 3.006 -0.732 218 HA ARG 552 HA ARG 552 -7.113 1.095 -2.731 219 HB2 ARG 552 1HB ARG 552 -7.351 4.093 -3.017 220 HB3 ARG 552 2HB ARG 552 -7.342 2.897 -4.306 221 HG2 ARG 552 1HG ARG 552 -9.490 3.279 -2.231 222 HG3 ARG 552 2HG ARG 552 -9.583 3.708 -3.939 223 HD2 ARG 552 1HD ARG 552 -8.946 1.128 -4.190 224 HD3 ARG 552 2HD ARG 552 -9.758 1.058 -2.626 225 HE ARG 552 HE ARG 552 -11.343 2.512 -4.442 226 HH11 ARG 552 1HH1 ARG 552 -10.266 -0.736 -3.798 227 HH12 ARG 552 2HH1 ARG 552 -11.664 -1.479 -4.504 228 HH21 ARG 552 1HH2 ARG 552 -13.187 1.546 -5.374 229 HH22 ARG 552 2HH2 ARG 552 -13.324 -0.180 -5.401 230 H VAL 553 H VAL 553 -5.054 0.413 -2.440 231 HA VAL 553 HA VAL 553 -2.943 2.323 -1.840 232 HB VAL 553 HB VAL 553 -2.832 -0.671 -2.228 233 HG11 VAL 553 1HG1 VAL 553 -0.747 1.344 -2.062 234 HG12 VAL 553 2HG1 VAL 553 -0.594 0.108 -0.812 235 HG13 VAL 553 3HG1 VAL 553 -0.642 -0.357 -2.514 236 HG21 VAL 553 1HG2 VAL 553 -3.402 -0.873 -0.089 237 HG22 VAL 553 2HG2 VAL 553 -2.163 0.282 0.401 238 HG23 VAL 553 3HG2 VAL 553 -3.764 0.851 -0.071 239 H LYS 554 H LYS 554 -1.465 3.065 -3.251 240 HA LYS 554 HA LYS 554 -1.715 2.180 -6.045 241 HB2 LYS 554 1HB LYS 554 -2.123 4.625 -5.356 242 HB3 LYS 554 2HB LYS 554 -0.381 4.719 -5.133 243 HG2 LYS 554 1HG LYS 554 0.024 4.286 -7.429 244 HG3 LYS 554 2HG LYS 554 -1.664 3.851 -7.709 245 HD2 LYS 554 1HD LYS 554 -1.721 5.990 -8.487 246 HD3 LYS 554 2HD LYS 554 -2.042 6.316 -6.782 247 HE2 LYS 554 1HE LYS 554 0.685 6.391 -8.068 248 HE3 LYS 554 2HE LYS 554 -0.321 7.806 -7.767 249 HZ1 LYS 554 1HZ LYS 554 -0.304 6.886 -5.349 250 HZ2 LYS 554 2HZ LYS 554 1.006 7.789 -5.920 251 HZ3 LYS 554 3HZ LYS 554 1.107 6.101 -5.850 252 H VAL 555 H VAL 555 -0.246 0.637 -6.435 253 HA VAL 555 HA VAL 555 2.257 0.435 -5.117 254 HB VAL 555 HB VAL 555 1.340 -0.859 -7.689 255 HG11 VAL 555 1HG1 VAL 555 3.774 -0.857 -7.481 256 HG12 VAL 555 2HG1 VAL 555 3.642 -1.569 -5.872 257 HG13 VAL 555 3HG1 VAL 555 3.121 -2.483 -7.288 258 HG21 VAL 555 1HG2 VAL 555 1.069 -2.850 -6.124 259 HG22 VAL 555 2HG2 VAL 555 1.165 -1.684 -4.804 260 HG23 VAL 555 3HG2 VAL 555 -0.130 -1.564 -5.993 261 H LEU 556 H LEU 556 4.320 0.921 -5.811 262 HA LEU 556 HA LEU 556 4.529 2.576 -8.238 263 HB2 LEU 556 1HB LEU 556 6.076 3.015 -5.692 264 HB3 LEU 556 2HB LEU 556 6.086 4.029 -7.135 265 HG LEU 556 HG LEU 556 3.593 3.627 -5.507 266 HD11 LEU 556 1HD1 LEU 556 5.623 4.510 -4.181 267 HD12 LEU 556 2HD1 LEU 556 4.104 5.402 -4.105 268 HD13 LEU 556 3HD1 LEU 556 5.412 5.975 -5.140 269 HD21 LEU 556 1HD2 LEU 556 3.804 4.668 -7.921 270 HD22 LEU 556 2HD2 LEU 556 4.303 6.094 -7.009 271 HD23 LEU 556 3HD2 LEU 556 2.725 5.363 -6.710 272 H SER 557 H SER 557 6.249 0.512 -5.929 273 HA SER 557 HA SER 557 7.786 -0.638 -8.102 274 HB2 SER 557 1HB SER 557 9.423 0.936 -7.703 275 HB3 SER 557 2HB SER 557 8.980 1.121 -6.006 276 HG SER 557 HG SER 557 10.174 -1.227 -7.043 277 H ILE 558 H ILE 558 8.702 -2.652 -7.595 278 HA ILE 558 HA ILE 558 7.291 -4.157 -5.658 279 HB ILE 558 HB ILE 558 9.826 -4.941 -7.101 280 HG12 ILE 558 1HG1 ILE 558 8.016 -4.213 -8.640 281 HG13 ILE 558 2HG1 ILE 558 8.397 -5.924 -8.799 282 HG21 ILE 558 1HG2 ILE 558 8.458 -7.225 -6.791 283 HG22 ILE 558 2HG2 ILE 558 9.634 -6.637 -5.616 284 HG23 ILE 558 3HG2 ILE 558 7.912 -6.361 -5.355 285 HD11 ILE 558 1HD1 ILE 558 5.894 -4.810 -8.461 286 HD12 ILE 558 2HD1 ILE 558 6.321 -6.514 -8.291 287 HD13 ILE 558 3HD1 ILE 558 6.290 -5.467 -6.872 288 H GLY 559 H GLY 559 7.992 -5.121 -3.743 289 HA2 GLY 559 1HA GLY 559 10.141 -3.650 -2.403 290 HA3 GLY 559 2HA GLY 559 8.903 -4.618 -1.617 291 H GLU 560 H GLU 560 10.155 -5.964 -0.422 292 HA GLU 560 HA GLU 560 11.777 -7.885 -1.926 293 HB2 GLU 560 1HB GLU 560 13.431 -7.819 0.024 294 HB3 GLU 560 2HB GLU 560 13.480 -6.483 -1.118 295 HG2 GLU 560 1HG GLU 560 12.467 -5.009 0.382 296 HG3 GLU 560 2HG GLU 560 11.894 -6.315 1.416 297 H GLY 561 H GLY 561 11.178 -9.893 -1.464 298 HA2 GLY 561 1HA GLY 561 10.492 -11.731 -0.249 299 HA3 GLY 561 2HA GLY 561 10.646 -10.765 1.211 300 H GLY 562 H GLY 562 8.580 -10.688 -1.703 301 HA2 GLY 562 1HA GLY 562 6.288 -10.700 -1.904 302 HA3 GLY 562 2HA GLY 562 6.208 -11.279 -0.247 303 H PHE 563 H PHE 563 7.959 -8.379 -0.730 304 HA PHE 563 HA PHE 563 5.824 -6.890 0.605 305 HB2 PHE 563 1HB PHE 563 8.740 -6.805 0.625 306 HB3 PHE 563 2HB PHE 563 8.023 -5.209 0.426 307 HD1 PHE 563 1HD PHE 563 8.682 -7.928 2.695 308 HD2 PHE 563 2HD PHE 563 6.426 -4.362 2.140 309 HE1 PHE 563 1HE PHE 563 8.250 -7.829 5.115 310 HE2 PHE 563 2HE PHE 563 5.991 -4.256 4.558 311 HZ PHE 563 HZ PHE 563 6.904 -5.991 6.049 312 H TRP 564 H TRP 564 5.903 -4.427 -0.032 313 HA TRP 564 HA TRP 564 6.261 -4.006 -2.881 314 HB2 TRP 564 1HB TRP 564 3.731 -4.740 -1.856 315 HB3 TRP 564 2HB TRP 564 3.644 -3.019 -2.221 316 HD1 TRP 564 HD TRP 564 5.558 -3.104 -4.825 317 HE1 TRP 564 1HE TRP 564 4.620 -4.108 -7.001 318 HE3 TRP 564 3HE TRP 564 1.766 -5.913 -2.856 319 HZ2 TRP 564 2HZ TRP 564 2.547 -5.859 -7.781 320 HZ3 TRP 564 3HZ TRP 564 0.352 -7.221 -4.385 321 HH2 TRP 564 HH TRP 564 0.735 -7.194 -6.797 322 H GLU 565 H GLU 565 5.994 -1.746 -3.500 323 HA GLU 565 HA GLU 565 6.204 0.104 -1.219 324 HB2 GLU 565 1HB GLU 565 8.346 -0.572 -2.706 325 HB3 GLU 565 2HB GLU 565 7.724 0.755 -3.678 326 HG2 GLU 565 1HG GLU 565 8.125 1.082 -0.734 327 HG3 GLU 565 2HG GLU 565 9.477 1.242 -1.855 328 H GLY 566 H GLY 566 4.492 1.401 -1.273 329 HA2 GLY 566 1HA GLY 566 3.923 2.942 -3.646 330 HA3 GLY 566 2HA GLY 566 2.659 1.792 -3.234 331 H SER 567 H SER 567 1.201 3.522 -2.889 332 HA SER 567 HA SER 567 1.669 4.966 -0.363 333 HB2 SER 567 1HB SER 567 0.870 6.929 -1.236 334 HB3 SER 567 2HB SER 567 1.508 6.223 -2.721 335 HG SER 567 HG SER 567 -0.642 6.983 -2.969 336 H ALA 568 H ALA 568 -0.025 5.115 1.082 337 HA ALA 568 HA ALA 568 -2.667 4.217 0.452 338 HB1 ALA 568 1HB ALA 568 -2.754 2.157 1.445 339 HB2 ALA 568 2HB ALA 568 -1.115 2.121 0.793 340 HB3 ALA 568 3HB ALA 568 -1.378 2.483 2.499 341 H ARG 569 H ARG 569 -4.149 4.839 1.983 342 HA ARG 569 HA ARG 569 -5.009 5.972 3.759 343 HB2 ARG 569 1HB ARG 569 -3.639 4.153 4.960 344 HB3 ARG 569 2HB ARG 569 -2.459 5.423 5.259 345 HG2 ARG 569 1HG ARG 569 -3.808 6.521 6.740 346 HG3 ARG 569 2HG ARG 569 -5.294 5.925 5.999 347 HD2 ARG 569 1HD ARG 569 -4.424 3.604 6.841 348 HD3 ARG 569 2HD ARG 569 -3.473 4.591 7.952 349 HE ARG 569 HE ARG 569 -6.311 4.138 8.027 350 HH11 ARG 569 1HH1 ARG 569 -3.725 6.277 8.951 351 HH12 ARG 569 2HH1 ARG 569 -4.598 6.972 10.277 352 HH21 ARG 569 1HH2 ARG 569 -7.471 5.043 9.771 353 HH22 ARG 569 2HH2 ARG 569 -6.728 6.268 10.743 354 H GLY 570 H GLY 570 -3.345 7.320 1.758 355 HA2 GLY 570 1HA GLY 570 -2.765 9.525 1.394 356 HA3 GLY 570 2HA GLY 570 -3.144 9.856 3.078 357 H HIS 571 H HIS 571 -0.950 7.289 2.509 358 HA HIS 571 HA HIS 571 1.340 9.063 3.030 359 HB2 HIS 571 1HB HIS 571 0.669 6.466 4.421 360 HB3 HIS 571 2HB HIS 571 2.251 7.235 4.513 361 HD1 HIS 571 1HD HIS 571 0.093 6.761 6.879 362 HD2 HIS 571 2HD HIS 571 1.013 10.333 4.967 363 HE1 HIS 571 1HE HIS 571 -0.561 8.574 8.493 364 H ILE 572 H ILE 572 3.460 7.731 2.764 365 HA ILE 572 HA ILE 572 3.214 5.851 0.522 366 HB ILE 572 HB ILE 572 5.235 8.090 0.563 367 HG12 ILE 572 1HG1 ILE 572 3.718 8.704 -1.547 368 HG13 ILE 572 2HG1 ILE 572 2.483 7.921 -0.565 369 HG21 ILE 572 1HG2 ILE 572 4.959 5.671 -0.958 370 HG22 ILE 572 2HG2 ILE 572 4.848 7.074 -2.019 371 HG23 ILE 572 3HG2 ILE 572 6.258 6.864 -0.981 372 HD11 ILE 572 1HD1 ILE 572 3.855 9.675 1.141 373 HD12 ILE 572 2HD1 ILE 572 3.556 10.556 -0.358 374 HD13 ILE 572 3HD1 ILE 572 2.212 9.825 0.518 375 H GLY 573 H GLY 573 4.406 4.076 0.792 376 HA2 GLY 573 1HA GLY 573 7.024 3.992 1.786 377 HA3 GLY 573 2HA GLY 573 5.932 3.636 3.116 378 H TRP 574 H TRP 574 6.895 1.536 3.224 379 HA TRP 574 HA TRP 574 6.313 -0.252 0.979 380 HB2 TRP 574 1HB TRP 574 8.213 -0.285 3.254 381 HB3 TRP 574 2HB TRP 574 7.575 -1.847 2.750 382 HD1 TRP 574 HD TRP 574 8.130 -2.614 0.190 383 HE1 TRP 574 1HE TRP 574 10.116 -2.016 -1.333 384 HE3 TRP 574 3HE TRP 574 9.831 1.524 2.662 385 HZ2 TRP 574 2HZ TRP 574 12.137 -0.051 -1.469 386 HZ3 TRP 574 3HZ TRP 574 11.797 2.706 1.770 387 HH2 TRP 574 HH TRP 574 12.925 1.933 -0.252 388 H PHE 575 H PHE 575 5.427 -2.419 1.491 389 HA PHE 575 HA PHE 575 4.020 -2.904 3.899 390 HB2 PHE 575 1HB PHE 575 1.721 -2.685 3.070 391 HB3 PHE 575 2HB PHE 575 2.552 -1.133 3.048 392 HD1 PHE 575 1HD PHE 575 1.428 -3.945 0.931 393 HD2 PHE 575 2HD PHE 575 2.826 0.074 1.047 394 HE1 PHE 575 1HE PHE 575 0.862 -3.682 -1.448 395 HE2 PHE 575 2HE PHE 575 2.261 0.342 -1.332 396 HZ PHE 575 HZ PHE 575 1.277 -1.536 -2.583 397 HA PRO 576 HA PRO 576 4.077 -6.979 2.269 398 HB2 PRO 576 1HB PRO 576 1.984 -8.100 3.584 399 HB3 PRO 576 2HB PRO 576 3.512 -7.699 4.376 400 HG2 PRO 576 1HG PRO 576 0.937 -6.174 4.350 401 HG3 PRO 576 2HG PRO 576 2.038 -6.487 5.704 402 HD2 PRO 576 1HD PRO 576 2.004 -4.132 4.366 403 HD3 PRO 576 2HD PRO 576 3.485 -4.804 5.079 404 H ALA 577 H ALA 577 3.430 -7.790 0.381 405 HA ALA 577 HA ALA 577 1.286 -6.723 -1.097 406 HB1 ALA 577 1HB ALA 577 2.598 -9.385 -1.599 407 HB2 ALA 577 2HB ALA 577 1.818 -8.320 -2.770 408 HB3 ALA 577 3HB ALA 577 3.341 -7.842 -2.019 409 H GLU 578 H GLU 578 1.479 -9.352 1.159 410 HA GLU 578 HA GLU 578 -0.840 -10.760 0.354 411 HB2 GLU 578 1HB GLU 578 -0.750 -11.756 2.628 412 HB3 GLU 578 2HB GLU 578 0.786 -11.830 1.777 413 HG2 GLU 578 1HG GLU 578 1.795 -10.326 3.170 414 HG3 GLU 578 2HG GLU 578 0.278 -9.531 3.589 415 H CYS 579 H CYS 579 -0.452 -7.733 1.782 416 HA CYS 579 HA CYS 579 -3.033 -7.779 3.142 417 HB2 CYS 579 1HB CYS 579 -0.652 -6.020 3.173 418 HB3 CYS 579 2HB CYS 579 -2.203 -5.218 3.398 419 HG CYS 579 HG CYS 579 -2.142 -7.863 5.322 420 H VAL 580 H VAL 580 -1.814 -7.130 0.087 421 HA VAL 580 HA VAL 580 -4.091 -5.369 -0.552 422 HB VAL 580 HB VAL 580 -2.722 -4.792 -2.626 423 HG11 VAL 580 1HG1 VAL 580 -1.387 -3.903 -0.090 424 HG12 VAL 580 2HG1 VAL 580 -1.714 -2.978 -1.557 425 HG13 VAL 580 3HG1 VAL 580 -3.038 -3.418 -0.479 426 HG21 VAL 580 1HG2 VAL 580 -0.272 -5.046 -2.366 427 HG22 VAL 580 2HG2 VAL 580 -0.557 -6.066 -0.955 428 HG23 VAL 580 3HG2 VAL 580 -1.113 -6.586 -2.545 429 H GLU 581 H GLU 581 -5.246 -5.755 -2.484 430 HA GLU 581 HA GLU 581 -4.743 -8.308 -3.832 431 HB2 GLU 581 1HB GLU 581 -6.540 -8.357 -1.905 432 HB3 GLU 581 2HB GLU 581 -7.563 -7.606 -3.122 433 HG2 GLU 581 1HG GLU 581 -6.716 -9.594 -4.606 434 HG3 GLU 581 2HG GLU 581 -6.408 -10.344 -3.041 435 H GLU 582 H GLU 582 -5.585 -8.455 -5.942 436 HA GLU 582 HA GLU 582 -5.746 -5.940 -7.306 437 HB2 GLU 582 1HB GLU 582 -5.852 -8.814 -8.169 438 HB3 GLU 582 2HB GLU 582 -6.233 -7.525 -9.302 439 HG2 GLU 582 1HG GLU 582 -3.939 -6.555 -8.471 440 HG3 GLU 582 2HG GLU 582 -3.639 -8.237 -8.040 441 H VAL 583 H VAL 583 -7.482 -5.070 -8.431 442 HA VAL 583 HA VAL 583 -9.984 -5.164 -7.274 443 HB VAL 583 HB VAL 583 -9.447 -4.502 -10.171 444 HG11 VAL 583 1HG1 VAL 583 -11.675 -4.269 -10.181 445 HG12 VAL 583 2HG1 VAL 583 -11.780 -4.294 -8.420 446 HG13 VAL 583 3HG1 VAL 583 -11.378 -2.796 -9.259 447 HG21 VAL 583 1HG2 VAL 583 -7.927 -3.181 -8.967 448 HG22 VAL 583 2HG2 VAL 583 -9.319 -2.131 -9.235 449 HG23 VAL 583 3HG2 VAL 583 -9.078 -2.892 -7.663 450 H GLN 584 H GLN 584 -11.912 -6.198 -7.716 451 HA GLN 584 HA GLN 584 -11.777 -8.459 -9.599 452 HB2 GLN 584 1HB GLN 584 -13.259 -9.698 -7.995 453 HB3 GLN 584 2HB GLN 584 -11.624 -9.410 -7.414 454 HG2 GLN 584 1HG GLN 584 -12.417 -7.551 -6.061 455 HG3 GLN 584 2HG GLN 584 -14.055 -7.803 -6.662 456 HE21 GLN 584 1HE2 GLN 584 -14.797 -9.946 -4.077 457 HE22 GLN 584 2HE2 GLN 584 -15.269 -8.693 -5.168 458 H SER 585 H SER 585 -13.329 -8.477 -11.084 459 HA SER 585 HA SER 585 -15.768 -6.900 -10.573 460 HB2 SER 585 1HB SER 585 -14.605 -5.714 -12.254 461 HB3 SER 585 2HB SER 585 -14.126 -7.195 -13.084 462 HG SER 585 HG SER 585 -15.927 -5.949 -14.023 Start of MODEL 3 1 H1 MET 525 H MET 525 -0.570 -7.195 -11.032 2 HA MET 525 HA MET 525 1.137 -9.481 -11.770 3 HB2 MET 525 1HB MET 525 -0.395 -7.749 -13.710 4 HB3 MET 525 2HB MET 525 0.469 -9.241 -14.058 5 HG2 MET 525 1HG MET 525 -1.220 -10.247 -12.320 6 HG3 MET 525 2HG MET 525 -2.176 -8.836 -12.766 7 HE1 MET 525 1HE MET 525 -4.025 -9.998 -15.710 8 HE2 MET 525 2HE MET 525 -4.216 -9.901 -13.960 9 HE3 MET 525 3HE MET 525 -3.488 -8.558 -14.843 10 H VAL 526 H VAL 526 0.611 -5.998 -12.061 11 HA VAL 526 HA VAL 526 3.506 -5.663 -12.417 12 HB VAL 526 HB VAL 526 2.938 -3.695 -13.957 13 HG11 VAL 526 1HG1 VAL 526 2.331 -5.647 -15.802 14 HG12 VAL 526 2HG1 VAL 526 3.952 -5.184 -15.279 15 HG13 VAL 526 3HG1 VAL 526 3.132 -6.545 -14.513 16 HG21 VAL 526 1HG2 VAL 526 0.517 -5.163 -14.801 17 HG22 VAL 526 2HG2 VAL 526 0.382 -4.207 -13.325 18 HG23 VAL 526 3HG2 VAL 526 0.867 -3.434 -14.834 19 HA PRO 527 HA PRO 527 3.201 -2.543 -9.345 20 HB2 PRO 527 1HB PRO 527 5.133 -0.808 -10.142 21 HB3 PRO 527 2HB PRO 527 5.492 -2.389 -9.436 22 HG2 PRO 527 1HG PRO 527 5.453 -1.564 -12.314 23 HG3 PRO 527 2HG PRO 527 6.628 -2.579 -11.457 24 HD2 PRO 527 1HD PRO 527 4.672 -3.614 -13.018 25 HD3 PRO 527 2HD PRO 527 5.287 -4.450 -11.578 26 H GLY 528 H GLY 528 2.833 -1.681 -12.697 27 HA2 GLY 528 1HA GLY 528 1.923 1.012 -12.109 28 HA3 GLY 528 2HA GLY 528 2.005 0.259 -13.695 29 H ARG 529 H ARG 529 0.301 -0.501 -10.655 30 HA ARG 529 HA ARG 529 -2.252 -0.205 -12.032 31 HB2 ARG 529 1HB ARG 529 -1.263 -2.776 -10.811 32 HB3 ARG 529 2HB ARG 529 -2.976 -2.444 -11.031 33 HG2 ARG 529 1HG ARG 529 -1.043 -2.279 -13.315 34 HG3 ARG 529 2HG ARG 529 -1.779 -3.806 -12.826 35 HD2 ARG 529 1HD ARG 529 -4.011 -2.520 -12.991 36 HD3 ARG 529 2HD ARG 529 -3.087 -1.346 -13.928 37 HE ARG 529 HE ARG 529 -2.565 -3.827 -15.035 38 HH11 ARG 529 1HH1 ARG 529 -5.326 -1.767 -14.536 39 HH12 ARG 529 2HH1 ARG 529 -6.171 -2.341 -15.935 40 HH21 ARG 529 1HH2 ARG 529 -3.668 -4.592 -16.880 41 HH22 ARG 529 2HH2 ARG 529 -5.227 -3.949 -17.267 42 H LEU 530 H LEU 530 -4.058 -0.864 -10.307 43 HA LEU 530 HA LEU 530 -3.322 0.510 -7.807 44 HB2 LEU 530 1HB LEU 530 -5.836 0.532 -9.438 45 HB3 LEU 530 2HB LEU 530 -5.859 0.958 -7.727 46 HG LEU 530 HG LEU 530 -4.164 2.745 -8.265 47 HD11 LEU 530 1HD1 LEU 530 -4.723 3.230 -10.933 48 HD12 LEU 530 2HD1 LEU 530 -4.401 1.498 -10.867 49 HD13 LEU 530 3HD1 LEU 530 -3.201 2.642 -10.266 50 HD21 LEU 530 1HD2 LEU 530 -5.806 4.304 -8.839 51 HD22 LEU 530 2HD2 LEU 530 -6.701 3.013 -8.037 52 HD23 LEU 530 3HD2 LEU 530 -6.714 3.135 -9.798 53 H PHE 531 H PHE 531 -3.347 -0.707 -6.047 54 HA PHE 531 HA PHE 531 -4.911 -3.195 -6.074 55 HB2 PHE 531 1HB PHE 531 -2.366 -2.371 -4.740 56 HB3 PHE 531 2HB PHE 531 -3.363 -3.600 -3.968 57 HD1 PHE 531 1HD PHE 531 -1.359 -2.781 -6.933 58 HD2 PHE 531 2HD PHE 531 -3.556 -5.797 -4.884 59 HE1 PHE 531 1HE PHE 531 -0.385 -4.490 -8.411 60 HE2 PHE 531 2HE PHE 531 -2.585 -7.511 -6.358 61 HZ PHE 531 HZ PHE 531 -0.996 -6.858 -8.124 62 H VAL 532 H VAL 532 -6.013 -3.839 -4.122 63 HA VAL 532 HA VAL 532 -6.843 -1.545 -2.464 64 HB VAL 532 HB VAL 532 -8.584 -3.906 -3.174 65 HG11 VAL 532 1HG1 VAL 532 -10.229 -2.948 -1.945 66 HG12 VAL 532 2HG1 VAL 532 -8.853 -2.265 -1.077 67 HG13 VAL 532 3HG1 VAL 532 -9.690 -1.307 -2.299 68 HG21 VAL 532 1HG2 VAL 532 -8.262 -2.795 -5.225 69 HG22 VAL 532 2HG2 VAL 532 -9.795 -2.184 -4.604 70 HG23 VAL 532 3HG2 VAL 532 -8.335 -1.204 -4.468 71 H ALA 533 H ALA 533 -6.251 -1.749 -0.417 72 HA ALA 533 HA ALA 533 -5.143 -4.079 0.693 73 HB1 ALA 533 1HB ALA 533 -4.441 -2.155 1.746 74 HB2 ALA 533 2HB ALA 533 -6.065 -1.470 1.815 75 HB3 ALA 533 3HB ALA 533 -5.614 -2.781 2.904 76 H ILE 534 H ILE 534 -6.065 -5.858 1.455 77 HA ILE 534 HA ILE 534 -8.930 -5.772 2.134 78 HB ILE 534 HB ILE 534 -8.929 -8.218 1.740 79 HG12 ILE 534 1HG1 ILE 534 -6.262 -7.933 0.399 80 HG13 ILE 534 2HG1 ILE 534 -6.340 -8.276 2.124 81 HG21 ILE 534 1HG2 ILE 534 -7.952 -6.566 -0.585 82 HG22 ILE 534 2HG2 ILE 534 -8.821 -8.096 -0.698 83 HG23 ILE 534 3HG2 ILE 534 -9.618 -6.677 -0.020 84 HD11 ILE 534 1HD1 ILE 534 -7.323 -10.354 1.786 85 HD12 ILE 534 2HD1 ILE 534 -7.826 -9.955 0.143 86 HD13 ILE 534 3HD1 ILE 534 -6.122 -10.238 0.500 87 H LYS 535 H LYS 535 -5.828 -6.135 3.428 88 HA LYS 535 HA LYS 535 -6.972 -7.151 5.941 89 HB2 LYS 535 1HB LYS 535 -4.279 -7.893 4.784 90 HB3 LYS 535 2HB LYS 535 -4.875 -8.376 6.366 91 HG2 LYS 535 1HG LYS 535 -6.503 -9.046 3.970 92 HG3 LYS 535 2HG LYS 535 -5.039 -9.979 4.294 93 HD2 LYS 535 1HD LYS 535 -7.003 -9.508 6.495 94 HD3 LYS 535 2HD LYS 535 -7.340 -10.742 5.279 95 HE2 LYS 535 1HE LYS 535 -5.532 -12.038 5.904 96 HE3 LYS 535 2HE LYS 535 -4.672 -10.675 6.619 97 HZ1 LYS 535 1HZ LYS 535 -5.538 -12.210 8.293 98 HZ2 LYS 535 2HZ LYS 535 -7.114 -11.930 7.749 99 HZ3 LYS 535 3HZ LYS 535 -6.226 -10.671 8.447 100 HA PRO 536 HA PRO 536 -5.215 -3.411 7.534 101 HB2 PRO 536 1HB PRO 536 -5.599 -3.957 10.167 102 HB3 PRO 536 2HB PRO 536 -6.910 -3.468 9.086 103 HG2 PRO 536 1HG PRO 536 -6.143 -6.208 10.014 104 HG3 PRO 536 2HG PRO 536 -7.757 -5.489 9.862 105 HD2 PRO 536 1HD PRO 536 -6.737 -7.186 8.015 106 HD3 PRO 536 2HD PRO 536 -7.848 -5.868 7.590 107 H TYR 537 H TYR 537 -3.271 -2.741 8.338 108 HA TYR 537 HA TYR 537 -1.558 -4.537 9.818 109 HB2 TYR 537 1HB TYR 537 -1.323 -4.911 7.215 110 HB3 TYR 537 2HB TYR 537 -0.341 -3.453 7.312 111 HD1 TYR 537 1HD TYR 537 1.756 -3.453 8.602 112 HD2 TYR 537 2HD TYR 537 -0.540 -7.000 8.102 113 HE1 TYR 537 1HE TYR 537 3.689 -4.797 9.314 114 HE2 TYR 537 2HE TYR 537 1.385 -8.354 8.814 115 HH TYR 537 HH TYR 537 3.939 -7.219 10.422 116 H GLN 538 H GLN 538 0.300 -3.489 10.703 117 HA GLN 538 HA GLN 538 0.149 -0.548 10.607 118 HB2 GLN 538 1HB GLN 538 0.463 -2.422 12.917 119 HB3 GLN 538 2HB GLN 538 1.185 -0.821 13.004 120 HG2 GLN 538 1HG GLN 538 -1.700 -1.191 12.297 121 HG3 GLN 538 2HG GLN 538 -1.159 -1.156 13.974 122 HE21 GLN 538 1HE2 GLN 538 -1.629 2.235 11.892 123 HE22 GLN 538 2HE2 GLN 538 -2.036 0.673 11.277 124 HA PRO 539 HA PRO 539 4.406 -0.383 9.564 125 HB2 PRO 539 1HB PRO 539 5.249 1.793 10.950 126 HB3 PRO 539 2HB PRO 539 4.205 1.905 9.528 127 HG2 PRO 539 1HG PRO 539 3.474 2.018 12.429 128 HG3 PRO 539 2HG PRO 539 2.888 3.018 11.088 129 HD2 PRO 539 1HD PRO 539 1.464 0.944 12.090 130 HD3 PRO 539 2HD PRO 539 1.393 1.413 10.378 131 H GLN 540 H GLN 540 5.980 -1.696 10.219 132 HA GLN 540 HA GLN 540 6.760 -1.670 13.053 133 HB2 GLN 540 1HB GLN 540 5.994 -3.987 11.347 134 HB3 GLN 540 2HB GLN 540 7.306 -4.215 12.494 135 HG2 GLN 540 1HG GLN 540 5.568 -4.840 13.803 136 HG3 GLN 540 2HG GLN 540 5.569 -3.112 14.151 137 HE21 GLN 540 1HE2 GLN 540 2.612 -4.732 11.835 138 HE22 GLN 540 2HE2 GLN 540 4.147 -5.511 11.975 139 H VAL 541 H VAL 541 7.708 -0.922 10.075 140 HA VAL 541 HA VAL 541 10.526 -1.334 10.722 141 HB VAL 541 HB VAL 541 9.484 -1.992 7.970 142 HG11 VAL 541 1HG1 VAL 541 11.851 -3.238 8.188 143 HG12 VAL 541 2HG1 VAL 541 11.677 -1.589 7.586 144 HG13 VAL 541 3HG1 VAL 541 12.136 -1.872 9.266 145 HG21 VAL 541 1HG2 VAL 541 8.585 -3.639 9.488 146 HG22 VAL 541 2HG2 VAL 541 9.898 -4.361 8.558 147 HG23 VAL 541 3HG2 VAL 541 10.169 -3.870 10.230 148 H ASP 542 H ASP 542 11.955 0.093 9.607 149 HA ASP 542 HA ASP 542 11.023 2.708 9.336 150 HB2 ASP 542 1HB ASP 542 13.549 1.425 8.277 151 HB3 ASP 542 2HB ASP 542 13.248 3.161 8.269 152 H GLY 543 H GLY 543 9.616 3.397 7.861 153 HA2 GLY 543 1HA GLY 543 9.364 4.160 5.571 154 HA3 GLY 543 2HA GLY 543 10.104 2.655 5.047 155 H GLU 544 H GLU 544 8.578 0.980 6.852 156 HA GLU 544 HA GLU 544 6.462 0.259 5.241 157 HB2 GLU 544 1HB GLU 544 7.252 -0.296 8.035 158 HB3 GLU 544 2HB GLU 544 5.566 -0.604 7.645 159 HG2 GLU 544 1HG GLU 544 6.542 -1.897 5.617 160 HG3 GLU 544 2HG GLU 544 8.024 -1.911 6.572 161 H ILE 545 H ILE 545 4.146 0.390 5.588 162 HA ILE 545 HA ILE 545 3.262 2.752 7.089 163 HB ILE 545 HB ILE 545 1.623 3.067 5.055 164 HG12 ILE 545 1HG1 ILE 545 4.065 1.873 3.727 165 HG13 ILE 545 2HG1 ILE 545 2.487 1.101 3.823 166 HG21 ILE 545 1HG2 ILE 545 4.401 4.047 4.575 167 HG22 ILE 545 2HG2 ILE 545 2.868 4.904 4.433 168 HG23 ILE 545 3HG2 ILE 545 3.534 4.549 6.027 169 HD11 ILE 545 1HD1 ILE 545 3.021 2.214 1.647 170 HD12 ILE 545 2HD1 ILE 545 1.514 2.728 2.406 171 HD13 ILE 545 3HD1 ILE 545 2.944 3.756 2.499 172 HA PRO 546 HA PRO 546 -0.126 0.289 8.399 173 HB2 PRO 546 1HB PRO 546 -2.135 2.111 8.525 174 HB3 PRO 546 2HB PRO 546 -0.797 2.076 9.679 175 HG2 PRO 546 1HG PRO 546 -1.180 3.821 7.277 176 HG3 PRO 546 2HG PRO 546 -0.597 4.256 8.894 177 HD2 PRO 546 1HD PRO 546 1.074 3.867 6.799 178 HD3 PRO 546 2HD PRO 546 1.533 3.485 8.470 179 H LEU 547 H LEU 547 -2.379 -0.377 7.856 180 HA LEU 547 HA LEU 547 -3.233 0.172 5.128 181 HB2 LEU 547 1HB LEU 547 -2.399 -2.541 6.117 182 HB3 LEU 547 2HB LEU 547 -3.474 -2.327 4.738 183 HG LEU 547 HG LEU 547 -0.758 -1.054 4.796 184 HD11 LEU 547 1HD1 LEU 547 0.300 -2.982 4.525 185 HD12 LEU 547 2HD1 LEU 547 -0.817 -3.471 3.251 186 HD13 LEU 547 3HD1 LEU 547 -1.197 -3.818 4.938 187 HD21 LEU 547 1HD2 LEU 547 -1.952 -2.107 2.326 188 HD22 LEU 547 2HD2 LEU 547 -1.144 -0.569 2.634 189 HD23 LEU 547 3HD2 LEU 547 -2.838 -0.781 3.080 190 H HIS 548 H HIS 548 -5.398 -0.514 4.688 191 HA HIS 548 HA HIS 548 -6.963 -1.500 6.944 192 HB2 HIS 548 1HB HIS 548 -6.821 1.156 6.705 193 HB3 HIS 548 2HB HIS 548 -8.095 0.860 5.526 194 HD1 HIS 548 1HD HIS 548 -10.139 -0.708 6.582 195 HD2 HIS 548 2HD HIS 548 -7.765 1.456 9.217 196 HE1 HIS 548 1HE HIS 548 -11.467 -0.551 8.713 197 H ARG 549 H ARG 549 -8.999 -2.365 6.357 198 HA ARG 549 HA ARG 549 -9.039 -3.561 3.773 199 HB2 ARG 549 1HB ARG 549 -11.222 -3.485 5.864 200 HB3 ARG 549 2HB ARG 549 -11.135 -4.586 4.494 201 HG2 ARG 549 1HG ARG 549 -8.907 -5.352 5.494 202 HG3 ARG 549 2HG ARG 549 -9.434 -4.521 6.958 203 HD2 ARG 549 1HD ARG 549 -9.996 -6.912 6.996 204 HD3 ARG 549 2HD ARG 549 -11.432 -5.890 7.051 205 HE ARG 549 HE ARG 549 -10.752 -6.684 4.390 206 HH11 ARG 549 1HH1 ARG 549 -12.338 -7.696 7.319 207 HH12 ARG 549 2HH1 ARG 549 -13.394 -8.812 6.517 208 HH21 ARG 549 1HH2 ARG 549 -12.137 -8.149 3.322 209 HH22 ARG 549 2HH2 ARG 549 -13.278 -9.069 4.243 210 H GLY 550 H GLY 550 -9.618 -2.546 1.972 211 HA2 GLY 550 1HA GLY 550 -11.405 -1.635 0.639 212 HA3 GLY 550 2HA GLY 550 -11.971 -0.778 2.065 213 H ASP 551 H ASP 551 -8.663 -0.574 1.988 214 HA ASP 551 HA ASP 551 -8.784 2.187 1.107 215 HB2 ASP 551 1HB ASP 551 -7.083 0.614 2.837 216 HB3 ASP 551 2HB ASP 551 -6.118 1.527 1.680 217 H ARG 552 H ARG 552 -8.033 2.973 -0.770 218 HA ARG 552 HA ARG 552 -7.195 1.085 -2.798 219 HB2 ARG 552 1HB ARG 552 -7.430 4.074 -3.113 220 HB3 ARG 552 2HB ARG 552 -7.527 2.841 -4.364 221 HG2 ARG 552 1HG ARG 552 -9.545 3.306 -2.178 222 HG3 ARG 552 2HG ARG 552 -9.717 3.763 -3.874 223 HD2 ARG 552 1HD ARG 552 -9.218 1.195 -4.245 224 HD3 ARG 552 2HD ARG 552 -9.844 1.078 -2.601 225 HE ARG 552 HE ARG 552 -11.934 1.415 -3.441 226 HH11 ARG 552 1HH1 ARG 552 -9.612 2.630 -5.732 227 HH12 ARG 552 2HH1 ARG 552 -10.801 3.009 -6.934 228 HH21 ARG 552 1HH2 ARG 552 -13.509 1.910 -5.016 229 HH22 ARG 552 2HH2 ARG 552 -13.017 2.599 -6.525 230 H VAL 553 H VAL 553 -5.123 0.441 -2.394 231 HA VAL 553 HA VAL 553 -3.060 2.422 -1.864 232 HB VAL 553 HB VAL 553 -2.767 -0.568 -2.175 233 HG11 VAL 553 1HG1 VAL 553 -0.727 0.888 -2.472 234 HG12 VAL 553 2HG1 VAL 553 -0.922 1.360 -0.783 235 HG13 VAL 553 3HG1 VAL 553 -0.622 -0.328 -1.201 236 HG21 VAL 553 1HG2 VAL 553 -2.449 0.149 0.506 237 HG22 VAL 553 2HG2 VAL 553 -3.895 1.001 -0.038 238 HG23 VAL 553 3HG2 VAL 553 -3.788 -0.752 -0.207 239 H LYS 554 H LYS 554 -1.509 3.059 -3.269 240 HA LYS 554 HA LYS 554 -1.731 2.053 -6.027 241 HB2 LYS 554 1HB LYS 554 -2.178 4.525 -5.472 242 HB3 LYS 554 2HB LYS 554 -0.442 4.653 -5.222 243 HG2 LYS 554 1HG LYS 554 -0.321 3.581 -7.604 244 HG3 LYS 554 2HG LYS 554 -1.969 4.197 -7.739 245 HD2 LYS 554 1HD LYS 554 -1.134 6.443 -7.113 246 HD3 LYS 554 2HD LYS 554 0.510 5.799 -7.105 247 HE2 LYS 554 1HE LYS 554 -1.339 5.755 -9.487 248 HE3 LYS 554 2HE LYS 554 -0.100 6.978 -9.207 249 HZ1 LYS 554 1HZ LYS 554 1.158 5.590 -10.412 250 HZ2 LYS 554 2HZ LYS 554 0.176 4.246 -10.119 251 HZ3 LYS 554 3HZ LYS 554 1.318 4.726 -8.967 252 H VAL 555 H VAL 555 -0.193 0.639 -6.517 253 HA VAL 555 HA VAL 555 2.277 0.469 -5.088 254 HB VAL 555 HB VAL 555 1.423 -0.907 -7.639 255 HG11 VAL 555 1HG1 VAL 555 3.708 -1.524 -5.769 256 HG12 VAL 555 2HG1 VAL 555 3.223 -2.491 -7.164 257 HG13 VAL 555 3HG1 VAL 555 3.851 -0.859 -7.396 258 HG21 VAL 555 1HG2 VAL 555 1.379 -1.856 -4.775 259 HG22 VAL 555 2HG2 VAL 555 -0.029 -1.433 -5.749 260 HG23 VAL 555 3HG2 VAL 555 0.960 -2.825 -6.188 261 H LEU 556 H LEU 556 4.343 0.968 -5.764 262 HA LEU 556 HA LEU 556 4.562 2.563 -8.231 263 HB2 LEU 556 1HB LEU 556 6.032 3.095 -5.654 264 HB3 LEU 556 2HB LEU 556 6.103 4.056 -7.131 265 HG LEU 556 HG LEU 556 3.626 3.725 -5.442 266 HD11 LEU 556 1HD1 LEU 556 4.865 6.349 -5.475 267 HD12 LEU 556 2HD1 LEU 556 5.903 5.123 -4.747 268 HD13 LEU 556 3HD1 LEU 556 4.278 5.390 -4.116 269 HD21 LEU 556 1HD2 LEU 556 3.401 4.285 -7.899 270 HD22 LEU 556 2HD2 LEU 556 4.231 5.798 -7.537 271 HD23 LEU 556 3HD2 LEU 556 2.684 5.436 -6.771 272 H SER 557 H SER 557 6.292 0.608 -5.834 273 HA SER 557 HA SER 557 7.914 -0.526 -7.967 274 HB2 SER 557 1HB SER 557 9.051 1.550 -6.818 275 HB3 SER 557 2HB SER 557 9.384 0.397 -5.526 276 HG SER 557 HG SER 557 11.071 0.485 -7.080 277 H ILE 558 H ILE 558 8.798 -2.551 -7.469 278 HA ILE 558 HA ILE 558 7.309 -4.101 -5.630 279 HB ILE 558 HB ILE 558 9.884 -4.806 -7.041 280 HG12 ILE 558 1HG1 ILE 558 8.003 -4.166 -8.546 281 HG13 ILE 558 2HG1 ILE 558 8.490 -5.849 -8.723 282 HG21 ILE 558 1HG2 ILE 558 8.628 -7.151 -6.704 283 HG22 ILE 558 2HG2 ILE 558 9.798 -6.507 -5.554 284 HG23 ILE 558 3HG2 ILE 558 8.071 -6.306 -5.260 285 HD11 ILE 558 1HD1 ILE 558 6.477 -6.588 -8.150 286 HD12 ILE 558 2HD1 ILE 558 6.375 -5.498 -6.767 287 HD13 ILE 558 3HD1 ILE 558 5.931 -4.927 -8.375 288 H GLY 559 H GLY 559 7.883 -5.040 -3.681 289 HA2 GLY 559 1HA GLY 559 9.823 -3.553 -2.134 290 HA3 GLY 559 2HA GLY 559 8.736 -4.794 -1.531 291 H GLU 560 H GLU 560 9.594 -6.695 -1.006 292 HA GLU 560 HA GLU 560 11.598 -8.039 -2.421 293 HB2 GLU 560 1HB GLU 560 13.158 -6.380 -1.706 294 HB3 GLU 560 2HB GLU 560 12.559 -6.435 -0.054 295 HG2 GLU 560 1HG GLU 560 13.448 -8.669 0.226 296 HG3 GLU 560 2HG GLU 560 13.987 -8.684 -1.453 297 H GLY 561 H GLY 561 11.026 -10.064 -2.011 298 HA2 GLY 561 1HA GLY 561 10.705 -11.998 -0.777 299 HA3 GLY 561 2HA GLY 561 10.958 -11.064 0.689 300 H GLY 562 H GLY 562 8.595 -10.137 -1.712 301 HA2 GLY 562 1HA GLY 562 6.273 -10.738 -1.699 302 HA3 GLY 562 2HA GLY 562 6.444 -11.208 -0.014 303 H PHE 563 H PHE 563 8.082 -8.351 -0.527 304 HA PHE 563 HA PHE 563 5.938 -6.843 0.755 305 HB2 PHE 563 1HB PHE 563 8.844 -6.765 0.786 306 HB3 PHE 563 2HB PHE 563 8.152 -5.168 0.516 307 HD1 PHE 563 1HD PHE 563 6.356 -4.374 2.154 308 HD2 PHE 563 2HD PHE 563 8.949 -7.659 2.923 309 HE1 PHE 563 1HE PHE 563 5.901 -4.164 4.562 310 HE2 PHE 563 2HE PHE 563 8.498 -7.456 5.333 311 HZ PHE 563 HZ PHE 563 6.971 -5.707 6.155 312 H TRP 564 H TRP 564 5.951 -4.406 0.087 313 HA TRP 564 HA TRP 564 6.320 -4.000 -2.765 314 HB2 TRP 564 1HB TRP 564 3.805 -4.789 -1.757 315 HB3 TRP 564 2HB TRP 564 3.677 -3.068 -2.113 316 HD1 TRP 564 HD TRP 564 5.644 -3.145 -4.705 317 HE1 TRP 564 1HE TRP 564 4.723 -4.140 -6.892 318 HE3 TRP 564 3HE TRP 564 1.814 -5.932 -2.779 319 HZ2 TRP 564 2HZ TRP 564 2.647 -5.876 -7.695 320 HZ3 TRP 564 3HZ TRP 564 0.408 -7.230 -4.325 321 HH2 TRP 564 HH TRP 564 0.817 -7.201 -6.731 322 H GLU 565 H GLU 565 6.005 -1.752 -3.405 323 HA GLU 565 HA GLU 565 6.160 0.123 -1.140 324 HB2 GLU 565 1HB GLU 565 8.318 -0.530 -2.647 325 HB3 GLU 565 2HB GLU 565 7.685 0.826 -3.570 326 HG2 GLU 565 1HG GLU 565 7.727 2.195 -1.514 327 HG3 GLU 565 2HG GLU 565 8.475 0.841 -0.667 328 H GLY 566 H GLY 566 4.508 1.486 -1.220 329 HA2 GLY 566 1HA GLY 566 3.901 2.946 -3.621 330 HA3 GLY 566 2HA GLY 566 2.648 1.791 -3.193 331 H SER 567 H SER 567 1.208 3.579 -2.929 332 HA SER 567 HA SER 567 1.650 5.062 -0.420 333 HB2 SER 567 1HB SER 567 0.851 6.990 -1.350 334 HB3 SER 567 2HB SER 567 1.428 6.231 -2.834 335 HG SER 567 HG SER 567 -0.600 6.667 -3.362 336 H ALA 568 H ALA 568 -0.020 5.202 1.042 337 HA ALA 568 HA ALA 568 -2.656 4.239 0.452 338 HB1 ALA 568 1HB ALA 568 -0.902 2.245 1.008 339 HB2 ALA 568 2HB ALA 568 -1.526 2.611 2.616 340 HB3 ALA 568 3HB ALA 568 -2.636 2.168 1.320 341 H ARG 569 H ARG 569 -4.134 4.989 1.896 342 HA ARG 569 HA ARG 569 -5.008 6.221 3.596 343 HB2 ARG 569 1HB ARG 569 -2.543 5.352 5.116 344 HB3 ARG 569 2HB ARG 569 -4.031 5.978 5.814 345 HG2 ARG 569 1HG ARG 569 -4.120 3.533 4.109 346 HG3 ARG 569 2HG ARG 569 -3.573 3.420 5.783 347 HD2 ARG 569 1HD ARG 569 -6.194 4.627 4.906 348 HD3 ARG 569 2HD ARG 569 -5.997 2.977 5.497 349 HE ARG 569 HE ARG 569 -4.923 4.612 7.439 350 HH11 ARG 569 1HH1 ARG 569 -8.020 4.180 5.910 351 HH12 ARG 569 2HH1 ARG 569 -8.923 4.686 7.300 352 HH21 ARG 569 1HH2 ARG 569 -6.099 5.280 9.275 353 HH22 ARG 569 2HH2 ARG 569 -7.830 5.312 9.213 354 H GLY 570 H GLY 570 -2.938 7.335 1.699 355 HA2 GLY 570 1HA GLY 570 -2.285 9.534 1.326 356 HA3 GLY 570 2HA GLY 570 -2.737 9.919 2.980 357 H HIS 571 H HIS 571 -0.690 7.203 2.574 358 HA HIS 571 HA HIS 571 1.695 8.821 3.142 359 HB2 HIS 571 1HB HIS 571 0.672 6.458 4.709 360 HB3 HIS 571 2HB HIS 571 2.358 6.963 4.773 361 HD1 HIS 571 1HD HIS 571 2.694 9.553 5.583 362 HD2 HIS 571 2HD HIS 571 -0.937 7.743 6.475 363 HE1 HIS 571 1HE HIS 571 1.678 10.949 7.411 364 H ILE 572 H ILE 572 3.520 8.172 2.137 365 HA ILE 572 HA ILE 572 3.300 5.827 0.386 366 HB ILE 572 HB ILE 572 5.355 8.034 0.265 367 HG12 ILE 572 1HG1 ILE 572 3.823 8.482 -1.892 368 HG13 ILE 572 2HG1 ILE 572 2.595 7.823 -0.818 369 HG21 ILE 572 1HG2 ILE 572 5.073 6.935 -2.239 370 HG22 ILE 572 2HG2 ILE 572 6.365 6.580 -1.094 371 HG23 ILE 572 3HG2 ILE 572 4.945 5.538 -1.172 372 HD11 ILE 572 1HD1 ILE 572 3.186 10.414 -0.939 373 HD12 ILE 572 2HD1 ILE 572 2.624 9.628 0.537 374 HD13 ILE 572 3HD1 ILE 572 4.346 9.923 0.296 375 H GLY 573 H GLY 573 4.363 4.029 0.873 376 HA2 GLY 573 1HA GLY 573 7.025 3.998 1.863 377 HA3 GLY 573 2HA GLY 573 5.891 3.653 3.160 378 H TRP 574 H TRP 574 6.854 1.562 3.336 379 HA TRP 574 HA TRP 574 6.360 -0.263 1.100 380 HB2 TRP 574 1HB TRP 574 8.187 -0.253 3.438 381 HB3 TRP 574 2HB TRP 574 7.585 -1.825 2.919 382 HD1 TRP 574 HD TRP 574 8.204 -2.565 0.352 383 HE1 TRP 574 1HE TRP 574 10.247 -1.962 -1.093 384 HE3 TRP 574 3HE TRP 574 9.848 1.527 2.938 385 HZ2 TRP 574 2HZ TRP 574 12.286 -0.011 -1.131 386 HZ3 TRP 574 3HZ TRP 574 11.852 2.704 2.132 387 HH2 TRP 574 HH TRP 574 13.045 1.949 0.140 388 H PHE 575 H PHE 575 5.465 -2.421 1.607 389 HA PHE 575 HA PHE 575 4.009 -2.907 3.981 390 HB2 PHE 575 1HB PHE 575 1.726 -2.667 3.131 391 HB3 PHE 575 2HB PHE 575 2.566 -1.121 3.098 392 HD1 PHE 575 1HD PHE 575 2.888 0.051 1.080 393 HD2 PHE 575 2HD PHE 575 1.414 -3.941 1.014 394 HE1 PHE 575 1HE PHE 575 2.343 0.296 -1.307 395 HE2 PHE 575 2HE PHE 575 0.866 -3.703 -1.373 396 HZ PHE 575 HZ PHE 575 1.331 -1.582 -2.536 397 HA PRO 576 HA PRO 576 4.087 -6.973 2.332 398 HB2 PRO 576 1HB PRO 576 1.977 -8.099 3.618 399 HB3 PRO 576 2HB PRO 576 3.497 -7.704 4.430 400 HG2 PRO 576 1HG PRO 576 0.923 -6.177 4.381 401 HG3 PRO 576 2HG PRO 576 2.008 -6.496 5.746 402 HD2 PRO 576 1HD PRO 576 1.992 -4.135 4.419 403 HD3 PRO 576 2HD PRO 576 3.463 -4.812 5.145 404 H ALA 577 H ALA 577 3.431 -7.845 0.469 405 HA ALA 577 HA ALA 577 1.299 -6.750 -1.032 406 HB1 ALA 577 1HB ALA 577 3.365 -7.813 -1.969 407 HB2 ALA 577 2HB ALA 577 2.673 -9.379 -1.547 408 HB3 ALA 577 3HB ALA 577 1.856 -8.340 -2.714 409 H GLU 578 H GLU 578 1.500 -9.370 1.223 410 HA GLU 578 HA GLU 578 -0.796 -10.806 0.376 411 HB2 GLU 578 1HB GLU 578 -0.700 -11.832 2.639 412 HB3 GLU 578 2HB GLU 578 0.835 -11.887 1.783 413 HG2 GLU 578 1HG GLU 578 1.841 -10.405 3.196 414 HG3 GLU 578 2HG GLU 578 0.326 -9.609 3.620 415 H CYS 579 H CYS 579 -0.460 -7.784 1.795 416 HA CYS 579 HA CYS 579 -3.060 -7.887 3.133 417 HB2 CYS 579 1HB CYS 579 -0.702 -6.072 3.254 418 HB3 CYS 579 2HB CYS 579 -2.283 -5.377 3.593 419 HG CYS 579 HG CYS 579 -0.788 -7.941 5.295 420 H VAL 580 H VAL 580 -1.920 -7.337 0.106 421 HA VAL 580 HA VAL 580 -4.109 -5.461 -0.510 422 HB VAL 580 HB VAL 580 -2.712 -4.801 -2.523 423 HG11 VAL 580 1HG1 VAL 580 -3.006 -3.537 -0.302 424 HG12 VAL 580 2HG1 VAL 580 -1.356 -4.058 0.045 425 HG13 VAL 580 3HG1 VAL 580 -1.687 -3.056 -1.369 426 HG21 VAL 580 1HG2 VAL 580 -0.588 -6.217 -0.920 427 HG22 VAL 580 2HG2 VAL 580 -1.129 -6.609 -2.552 428 HG23 VAL 580 3HG2 VAL 580 -0.257 -5.106 -2.249 429 H GLU 581 H GLU 581 -5.352 -5.873 -2.323 430 HA GLU 581 HA GLU 581 -4.745 -8.250 -3.911 431 HB2 GLU 581 1HB GLU 581 -6.172 -9.031 -2.068 432 HB3 GLU 581 2HB GLU 581 -7.381 -7.827 -2.492 433 HG2 GLU 581 1HG GLU 581 -8.060 -8.959 -4.360 434 HG3 GLU 581 2HG GLU 581 -6.510 -9.772 -4.566 435 H GLU 582 H GLU 582 -5.560 -8.209 -5.985 436 HA GLU 582 HA GLU 582 -5.986 -5.743 -7.193 437 HB2 GLU 582 1HB GLU 582 -6.401 -8.577 -8.033 438 HB3 GLU 582 2HB GLU 582 -7.067 -7.300 -9.042 439 HG2 GLU 582 1HG GLU 582 -4.346 -6.708 -8.326 440 HG3 GLU 582 2HG GLU 582 -4.467 -8.303 -9.065 441 H VAL 583 H VAL 583 -7.835 -4.768 -8.108 442 HA VAL 583 HA VAL 583 -10.057 -4.547 -6.490 443 HB VAL 583 HB VAL 583 -10.041 -4.091 -9.477 444 HG11 VAL 583 1HG1 VAL 583 -11.648 -2.202 -8.589 445 HG12 VAL 583 2HG1 VAL 583 -12.243 -3.831 -8.910 446 HG13 VAL 583 3HG1 VAL 583 -11.875 -3.336 -7.258 447 HG21 VAL 583 1HG2 VAL 583 -8.319 -2.723 -8.914 448 HG22 VAL 583 2HG2 VAL 583 -9.646 -1.648 -8.473 449 HG23 VAL 583 3HG2 VAL 583 -8.826 -2.593 -7.230 450 H GLN 584 H GLN 584 -12.151 -5.359 -6.533 451 HA GLN 584 HA GLN 584 -12.593 -7.719 -8.234 452 HB2 GLN 584 1HB GLN 584 -13.854 -8.697 -6.265 453 HB3 GLN 584 2HB GLN 584 -12.103 -8.639 -6.108 454 HG2 GLN 584 1HG GLN 584 -12.218 -6.764 -4.647 455 HG3 GLN 584 2HG GLN 584 -13.943 -6.563 -4.951 456 HE21 GLN 584 1HE2 GLN 584 -12.645 -8.982 -2.044 457 HE22 GLN 584 2HE2 GLN 584 -11.611 -7.959 -2.976 458 H SER 585 H SER 585 -14.371 -7.567 -9.420 459 HA SER 585 HA SER 585 -16.517 -5.767 -8.501 460 HB2 SER 585 1HB SER 585 -15.350 -4.915 -10.503 461 HB3 SER 585 2HB SER 585 -15.731 -6.413 -11.354 462 HG SER 585 HG SER 585 -17.628 -5.632 -11.767 Start of MODEL 4 1 H1 MET 525 H MET 525 2.030 -10.240 -15.917 2 HA MET 525 HA MET 525 0.182 -7.976 -15.696 3 HB2 MET 525 1HB MET 525 0.589 -10.008 -13.496 4 HB3 MET 525 2HB MET 525 -0.450 -8.591 -13.433 5 HG2 MET 525 1HG MET 525 -1.862 -9.531 -15.176 6 HG3 MET 525 2HG MET 525 -0.809 -10.941 -15.277 7 HE1 MET 525 1HE MET 525 -2.807 -13.273 -13.307 8 HE2 MET 525 2HE MET 525 -2.224 -12.764 -14.892 9 HE3 MET 525 3HE MET 525 -1.075 -13.086 -13.592 10 H VAL 526 H VAL 526 1.214 -6.195 -15.084 11 HA VAL 526 HA VAL 526 3.770 -6.484 -13.642 12 HB VAL 526 HB VAL 526 4.298 -4.199 -14.675 13 HG11 VAL 526 1HG1 VAL 526 5.491 -5.220 -16.338 14 HG12 VAL 526 2HG1 VAL 526 5.067 -6.627 -15.361 15 HG13 VAL 526 3HG1 VAL 526 4.147 -6.256 -16.819 16 HG21 VAL 526 1HG2 VAL 526 2.188 -5.066 -16.646 17 HG22 VAL 526 2HG2 VAL 526 1.960 -3.795 -15.443 18 HG23 VAL 526 3HG2 VAL 526 3.175 -3.605 -16.709 19 HA PRO 527 HA PRO 527 2.223 -3.967 -10.396 20 HB2 PRO 527 1HB PRO 527 4.451 -2.600 -9.663 21 HB3 PRO 527 2HB PRO 527 4.223 -4.319 -9.323 22 HG2 PRO 527 1HG PRO 527 5.782 -3.013 -11.518 23 HG3 PRO 527 2HG PRO 527 6.222 -4.402 -10.508 24 HD2 PRO 527 1HD PRO 527 5.279 -4.677 -13.031 25 HD3 PRO 527 2HD PRO 527 4.960 -5.871 -11.757 26 H GLY 528 H GLY 528 2.695 -1.506 -9.555 27 HA2 GLY 528 1HA GLY 528 2.654 0.773 -10.057 28 HA3 GLY 528 2HA GLY 528 2.776 0.376 -11.764 29 H ARG 529 H ARG 529 0.386 -1.456 -10.280 30 HA ARG 529 HA ARG 529 -1.682 0.231 -11.479 31 HB2 ARG 529 1HB ARG 529 -1.606 -2.656 -10.629 32 HB3 ARG 529 2HB ARG 529 -3.118 -1.847 -11.019 33 HG2 ARG 529 1HG ARG 529 -0.833 -1.831 -12.950 34 HG3 ARG 529 2HG ARG 529 -1.928 -3.211 -12.844 35 HD2 ARG 529 1HD ARG 529 -2.946 -0.407 -13.177 36 HD3 ARG 529 2HD ARG 529 -2.459 -1.384 -14.561 37 HE ARG 529 HE ARG 529 -4.864 -1.634 -13.050 38 HH11 ARG 529 1HH1 ARG 529 -2.518 -3.419 -14.901 39 HH12 ARG 529 2HH1 ARG 529 -3.627 -4.676 -15.340 40 HH21 ARG 529 1HH2 ARG 529 -6.334 -3.283 -13.619 41 HH22 ARG 529 2HH2 ARG 529 -5.797 -4.597 -14.610 42 H LEU 530 H LEU 530 -3.916 -0.303 -10.170 43 HA LEU 530 HA LEU 530 -3.431 0.847 -7.519 44 HB2 LEU 530 1HB LEU 530 -6.140 0.586 -8.747 45 HB3 LEU 530 2HB LEU 530 -5.537 1.794 -7.616 46 HG LEU 530 HG LEU 530 -5.033 1.633 -10.581 47 HD11 LEU 530 1HD1 LEU 530 -7.128 2.640 -10.090 48 HD12 LEU 530 2HD1 LEU 530 -6.001 3.943 -10.465 49 HD13 LEU 530 3HD1 LEU 530 -6.431 3.606 -8.788 50 HD21 LEU 530 1HD2 LEU 530 -3.647 3.217 -8.447 51 HD22 LEU 530 2HD2 LEU 530 -3.779 3.828 -10.096 52 HD23 LEU 530 3HD2 LEU 530 -2.950 2.302 -9.784 53 H PHE 531 H PHE 531 -3.277 -0.615 -5.950 54 HA PHE 531 HA PHE 531 -4.915 -3.041 -6.076 55 HB2 PHE 531 1HB PHE 531 -2.380 -2.301 -4.676 56 HB3 PHE 531 2HB PHE 531 -3.389 -3.565 -3.984 57 HD1 PHE 531 1HD PHE 531 -1.412 -2.583 -6.929 58 HD2 PHE 531 2HD PHE 531 -3.518 -5.720 -4.970 59 HE1 PHE 531 1HE PHE 531 -0.428 -4.213 -8.487 60 HE2 PHE 531 2HE PHE 531 -2.538 -7.355 -6.524 61 HZ PHE 531 HZ PHE 531 -0.990 -6.603 -8.286 62 H VAL 532 H VAL 532 -5.916 -3.813 -4.061 63 HA VAL 532 HA VAL 532 -6.805 -1.585 -2.346 64 HB VAL 532 HB VAL 532 -8.526 -3.940 -3.115 65 HG11 VAL 532 1HG1 VAL 532 -9.940 -1.575 -2.356 66 HG12 VAL 532 2HG1 VAL 532 -9.943 -3.166 -1.592 67 HG13 VAL 532 3HG1 VAL 532 -8.743 -1.961 -1.120 68 HG21 VAL 532 1HG2 VAL 532 -8.308 -1.212 -4.362 69 HG22 VAL 532 2HG2 VAL 532 -8.193 -2.786 -5.148 70 HG23 VAL 532 3HG2 VAL 532 -9.744 -2.221 -4.528 71 H ALA 533 H ALA 533 -6.325 -1.860 -0.276 72 HA ALA 533 HA ALA 533 -5.152 -4.228 0.730 73 HB1 ALA 533 1HB ALA 533 -6.094 -1.676 1.974 74 HB2 ALA 533 2HB ALA 533 -5.569 -3.024 2.984 75 HB3 ALA 533 3HB ALA 533 -4.454 -2.307 1.819 76 H ILE 534 H ILE 534 -6.032 -5.998 1.587 77 HA ILE 534 HA ILE 534 -8.915 -5.954 2.194 78 HB ILE 534 HB ILE 534 -8.824 -8.433 1.840 79 HG12 ILE 534 1HG1 ILE 534 -6.246 -8.012 0.372 80 HG13 ILE 534 2HG1 ILE 534 -6.214 -8.341 2.101 81 HG21 ILE 534 1HG2 ILE 534 -8.609 -8.235 -0.680 82 HG22 ILE 534 2HG2 ILE 534 -9.756 -7.148 0.099 83 HG23 ILE 534 3HG2 ILE 534 -8.179 -6.547 -0.409 84 HD11 ILE 534 1HD1 ILE 534 -6.456 -10.165 -0.049 85 HD12 ILE 534 2HD1 ILE 534 -6.389 -10.499 1.681 86 HD13 ILE 534 3HD1 ILE 534 -7.944 -10.227 0.896 87 H LYS 535 H LYS 535 -5.817 -6.311 3.521 88 HA LYS 535 HA LYS 535 -6.989 -7.309 6.027 89 HB2 LYS 535 1HB LYS 535 -4.263 -8.054 4.948 90 HB3 LYS 535 2HB LYS 535 -4.950 -8.581 6.479 91 HG2 LYS 535 1HG LYS 535 -6.504 -9.166 4.027 92 HG3 LYS 535 2HG LYS 535 -5.014 -10.076 4.285 93 HD2 LYS 535 1HD LYS 535 -7.042 -9.796 6.475 94 HD3 LYS 535 2HD LYS 535 -7.230 -11.022 5.218 95 HE2 LYS 535 1HE LYS 535 -4.823 -10.702 7.009 96 HE3 LYS 535 2HE LYS 535 -6.101 -11.898 7.220 97 HZ1 LYS 535 1HZ LYS 535 -5.099 -13.225 5.779 98 HZ2 LYS 535 2HZ LYS 535 -3.806 -12.137 5.688 99 HZ3 LYS 535 3HZ LYS 535 -5.086 -12.025 4.588 100 HA PRO 536 HA PRO 536 -5.226 -3.561 7.600 101 HB2 PRO 536 1HB PRO 536 -5.681 -4.065 10.229 102 HB3 PRO 536 2HB PRO 536 -6.958 -3.572 9.110 103 HG2 PRO 536 1HG PRO 536 -6.255 -6.310 10.095 104 HG3 PRO 536 2HG PRO 536 -7.855 -5.570 9.893 105 HD2 PRO 536 1HD PRO 536 -6.815 -7.307 8.094 106 HD3 PRO 536 2HD PRO 536 -7.896 -5.978 7.625 107 H TYR 537 H TYR 537 -3.325 -2.889 8.546 108 HA TYR 537 HA TYR 537 -1.677 -4.639 10.103 109 HB2 TYR 537 1HB TYR 537 -1.430 -4.979 7.382 110 HB3 TYR 537 2HB TYR 537 -0.142 -3.836 7.742 111 HD1 TYR 537 1HD TYR 537 -1.538 -7.096 8.897 112 HD2 TYR 537 2HD TYR 537 1.904 -4.626 8.506 113 HE1 TYR 537 1HE TYR 537 -0.126 -8.949 9.689 114 HE2 TYR 537 2HE TYR 537 3.325 -6.470 9.297 115 HH TYR 537 HH TYR 537 2.002 -9.362 10.646 116 H GLN 538 H GLN 538 0.199 -3.588 10.944 117 HA GLN 538 HA GLN 538 0.116 -0.658 10.652 118 HB2 GLN 538 1HB GLN 538 0.434 -2.411 13.048 119 HB3 GLN 538 2HB GLN 538 1.240 -0.848 13.036 120 HG2 GLN 538 1HG GLN 538 -1.637 -0.944 12.311 121 HG3 GLN 538 2HG GLN 538 -1.191 -1.159 14.003 122 HE21 GLN 538 1HE2 GLN 538 -1.118 2.473 12.279 123 HE22 GLN 538 2HE2 GLN 538 -1.599 1.043 11.439 124 HA PRO 539 HA PRO 539 4.347 -0.594 9.499 125 HB2 PRO 539 1HB PRO 539 5.266 1.615 10.780 126 HB3 PRO 539 2HB PRO 539 4.183 1.695 9.386 127 HG2 PRO 539 1HG PRO 539 3.539 1.923 12.302 128 HG3 PRO 539 2HG PRO 539 2.930 2.885 10.942 129 HD2 PRO 539 1HD PRO 539 1.503 0.873 12.059 130 HD3 PRO 539 2HD PRO 539 1.389 1.283 10.335 131 H GLN 540 H GLN 540 6.037 -1.773 10.131 132 HA GLN 540 HA GLN 540 6.845 -1.715 12.953 133 HB2 GLN 540 1HB GLN 540 5.924 -4.038 11.381 134 HB3 GLN 540 2HB GLN 540 7.392 -4.296 12.315 135 HG2 GLN 540 1HG GLN 540 5.934 -4.868 13.921 136 HG3 GLN 540 2HG GLN 540 5.874 -3.125 14.186 137 HE21 GLN 540 1HE2 GLN 540 2.437 -3.240 13.882 138 HE22 GLN 540 2HE2 GLN 540 3.834 -2.788 14.792 139 H VAL 541 H VAL 541 7.740 -0.946 10.003 140 HA VAL 541 HA VAL 541 10.567 -1.430 10.560 141 HB VAL 541 HB VAL 541 9.429 -1.987 7.822 142 HG11 VAL 541 1HG1 VAL 541 11.786 -3.261 7.911 143 HG12 VAL 541 2HG1 VAL 541 11.613 -1.588 7.378 144 HG13 VAL 541 3HG1 VAL 541 12.126 -1.941 9.028 145 HG21 VAL 541 1HG2 VAL 541 8.551 -3.700 9.214 146 HG22 VAL 541 2HG2 VAL 541 9.939 -4.391 8.373 147 HG23 VAL 541 3HG2 VAL 541 10.087 -3.894 10.059 148 H ASP 542 H ASP 542 11.989 0.024 9.496 149 HA ASP 542 HA ASP 542 11.069 2.654 9.296 150 HB2 ASP 542 1HB ASP 542 13.367 2.341 9.771 151 HB3 ASP 542 2HB ASP 542 13.601 1.320 8.356 152 H GLY 543 H GLY 543 9.683 3.396 7.827 153 HA2 GLY 543 1HA GLY 543 9.434 4.217 5.563 154 HA3 GLY 543 2HA GLY 543 10.197 2.737 4.999 155 H GLU 544 H GLU 544 8.667 0.993 6.739 156 HA GLU 544 HA GLU 544 6.573 0.306 5.079 157 HB2 GLU 544 1HB GLU 544 7.333 -0.336 7.869 158 HB3 GLU 544 2HB GLU 544 5.665 -0.670 7.425 159 HG2 GLU 544 1HG GLU 544 6.583 -1.942 5.446 160 HG3 GLU 544 2HG GLU 544 8.165 -1.801 6.210 161 H ILE 545 H ILE 545 4.223 0.299 5.594 162 HA ILE 545 HA ILE 545 3.323 2.640 7.101 163 HB ILE 545 HB ILE 545 1.654 2.978 5.101 164 HG12 ILE 545 1HG1 ILE 545 4.086 1.838 3.707 165 HG13 ILE 545 2HG1 ILE 545 2.517 1.048 3.812 166 HG21 ILE 545 1HG2 ILE 545 2.982 4.779 4.332 167 HG22 ILE 545 2HG2 ILE 545 3.379 4.562 6.035 168 HG23 ILE 545 3HG2 ILE 545 4.477 3.965 4.792 169 HD11 ILE 545 1HD1 ILE 545 2.919 3.739 2.540 170 HD12 ILE 545 2HD1 ILE 545 3.007 2.216 1.652 171 HD13 ILE 545 3HD1 ILE 545 1.504 2.690 2.444 172 HA PRO 546 HA PRO 546 -0.002 0.085 8.395 173 HB2 PRO 546 1HB PRO 546 -2.043 1.864 8.586 174 HB3 PRO 546 2HB PRO 546 -0.690 1.829 9.723 175 HG2 PRO 546 1HG PRO 546 -1.137 3.619 7.365 176 HG3 PRO 546 2HG PRO 546 -0.542 4.029 8.985 177 HD2 PRO 546 1HD PRO 546 1.110 3.719 6.861 178 HD3 PRO 546 2HD PRO 546 1.598 3.309 8.518 179 H LEU 547 H LEU 547 -2.311 -0.528 7.884 180 HA LEU 547 HA LEU 547 -3.158 0.021 5.157 181 HB2 LEU 547 1HB LEU 547 -2.326 -2.692 6.142 182 HB3 LEU 547 2HB LEU 547 -3.436 -2.487 4.788 183 HG LEU 547 HG LEU 547 -0.686 -1.269 4.801 184 HD11 LEU 547 1HD1 LEU 547 0.260 -3.247 4.497 185 HD12 LEU 547 2HD1 LEU 547 -0.814 -3.569 3.136 186 HD13 LEU 547 3HD1 LEU 547 -1.296 -4.033 4.769 187 HD21 LEU 547 1HD2 LEU 547 -2.817 -0.862 3.157 188 HD22 LEU 547 2HD2 LEU 547 -1.962 -2.155 2.315 189 HD23 LEU 547 3HD2 LEU 547 -1.129 -0.645 2.692 190 H HIS 548 H HIS 548 -5.332 -0.615 4.726 191 HA HIS 548 HA HIS 548 -6.904 -1.607 6.974 192 HB2 HIS 548 1HB HIS 548 -6.712 1.075 6.693 193 HB3 HIS 548 2HB HIS 548 -8.075 0.755 5.626 194 HD1 HIS 548 1HD HIS 548 -10.242 -0.194 6.727 195 HD2 HIS 548 2HD HIS 548 -7.234 0.815 9.408 196 HE1 HIS 548 1HE HIS 548 -11.343 -0.154 8.988 197 H ARG 549 H ARG 549 -8.930 -2.465 6.386 198 HA ARG 549 HA ARG 549 -9.010 -3.603 3.781 199 HB2 ARG 549 1HB ARG 549 -11.276 -3.534 5.772 200 HB3 ARG 549 2HB ARG 549 -11.003 -4.712 4.495 201 HG2 ARG 549 1HG ARG 549 -9.096 -5.604 5.644 202 HG3 ARG 549 2HG ARG 549 -9.183 -4.328 6.861 203 HD2 ARG 549 1HD ARG 549 -11.706 -5.422 6.928 204 HD3 ARG 549 2HD ARG 549 -10.677 -6.825 6.646 205 HE ARG 549 HE ARG 549 -9.751 -5.111 8.762 206 HH11 ARG 549 1HH1 ARG 549 -11.829 -7.778 7.933 207 HH12 ARG 549 2HH1 ARG 549 -11.853 -8.428 9.538 208 HH21 ARG 549 1HH2 ARG 549 -9.775 -5.958 10.880 209 HH22 ARG 549 2HH2 ARG 549 -10.685 -7.391 11.215 210 H GLY 550 H GLY 550 -9.669 -2.638 1.984 211 HA2 GLY 550 1HA GLY 550 -11.429 -1.657 0.689 212 HA3 GLY 550 2HA GLY 550 -11.967 -0.806 2.130 213 H ASP 551 H ASP 551 -8.657 -0.645 2.015 214 HA ASP 551 HA ASP 551 -8.754 2.123 1.151 215 HB2 ASP 551 1HB ASP 551 -6.883 0.430 2.693 216 HB3 ASP 551 2HB ASP 551 -6.139 1.697 1.722 217 H ARG 552 H ARG 552 -7.841 2.953 -0.663 218 HA ARG 552 HA ARG 552 -7.058 1.043 -2.715 219 HB2 ARG 552 1HB ARG 552 -7.295 4.021 -3.077 220 HB3 ARG 552 2HB ARG 552 -7.445 2.757 -4.291 221 HG2 ARG 552 1HG ARG 552 -9.398 3.379 -2.086 222 HG3 ARG 552 2HG ARG 552 -9.612 3.677 -3.812 223 HD2 ARG 552 1HD ARG 552 -9.514 1.269 -4.237 224 HD3 ARG 552 2HD ARG 552 -9.299 0.973 -2.512 225 HE ARG 552 HE ARG 552 -11.603 2.359 -2.580 226 HH11 ARG 552 1HH1 ARG 552 -10.480 -0.422 -4.349 227 HH12 ARG 552 2HH1 ARG 552 -12.063 -1.099 -4.544 228 HH21 ARG 552 1HH2 ARG 552 -13.691 1.476 -2.830 229 HH22 ARG 552 2HH2 ARG 552 -13.888 -0.019 -3.680 230 H VAL 553 H VAL 553 -4.980 0.425 -2.320 231 HA VAL 553 HA VAL 553 -2.942 2.428 -1.775 232 HB VAL 553 HB VAL 553 -2.753 -0.577 -2.010 233 HG11 VAL 553 1HG1 VAL 553 -0.526 0.432 -0.649 234 HG12 VAL 553 2HG1 VAL 553 -0.560 -0.310 -2.250 235 HG13 VAL 553 3HG1 VAL 553 -0.705 1.441 -2.084 236 HG21 VAL 553 1HG2 VAL 553 -2.115 0.671 0.542 237 HG22 VAL 553 2HG2 VAL 553 -3.782 0.952 0.035 238 HG23 VAL 553 3HG2 VAL 553 -3.170 -0.696 0.183 239 H LYS 554 H LYS 554 -1.570 3.236 -3.233 240 HA LYS 554 HA LYS 554 -1.756 2.250 -5.986 241 HB2 LYS 554 1HB LYS 554 -2.097 4.719 -5.307 242 HB3 LYS 554 2HB LYS 554 -0.348 4.765 -5.131 243 HG2 LYS 554 1HG LYS 554 -0.391 3.767 -7.555 244 HG3 LYS 554 2HG LYS 554 -2.001 4.488 -7.587 245 HD2 LYS 554 1HD LYS 554 -1.012 6.653 -6.937 246 HD3 LYS 554 2HD LYS 554 0.590 5.916 -6.993 247 HE2 LYS 554 1HE LYS 554 -1.309 6.024 -9.330 248 HE3 LYS 554 2HE LYS 554 -0.031 7.203 -9.042 249 HZ1 LYS 554 1HZ LYS 554 0.433 4.288 -9.366 250 HZ2 LYS 554 2HZ LYS 554 1.609 5.499 -9.264 251 HZ3 LYS 554 3HZ LYS 554 0.593 5.421 -10.613 252 H VAL 555 H VAL 555 -0.318 0.684 -6.381 253 HA VAL 555 HA VAL 555 2.179 0.433 -5.051 254 HB VAL 555 HB VAL 555 1.228 -0.864 -7.609 255 HG11 VAL 555 1HG1 VAL 555 3.663 -0.908 -7.412 256 HG12 VAL 555 2HG1 VAL 555 3.524 -1.608 -5.798 257 HG13 VAL 555 3HG1 VAL 555 2.977 -2.519 -7.206 258 HG21 VAL 555 1HG2 VAL 555 0.718 -2.788 -6.187 259 HG22 VAL 555 2HG2 VAL 555 1.211 -1.870 -4.764 260 HG23 VAL 555 3HG2 VAL 555 -0.200 -1.366 -5.692 261 H LEU 556 H LEU 556 4.252 0.862 -5.750 262 HA LEU 556 HA LEU 556 4.511 2.458 -8.209 263 HB2 LEU 556 1HB LEU 556 6.035 2.984 -5.668 264 HB3 LEU 556 2HB LEU 556 6.022 3.961 -7.135 265 HG LEU 556 HG LEU 556 3.542 3.564 -5.487 266 HD11 LEU 556 1HD1 LEU 556 5.434 5.876 -5.177 267 HD12 LEU 556 2HD1 LEU 556 5.470 4.468 -4.117 268 HD13 LEU 556 3HD1 LEU 556 4.024 5.474 -4.198 269 HD21 LEU 556 1HD2 LEU 556 2.704 4.681 -7.224 270 HD22 LEU 556 2HD2 LEU 556 4.306 5.059 -7.857 271 HD23 LEU 556 3HD2 LEU 556 3.583 6.083 -6.615 272 H SER 557 H SER 557 6.446 0.809 -5.705 273 HA SER 557 HA SER 557 8.005 -0.444 -7.857 274 HB2 SER 557 1HB SER 557 9.149 1.574 -6.685 275 HB3 SER 557 2HB SER 557 9.345 0.468 -5.325 276 HG SER 557 HG SER 557 10.862 0.660 -7.463 277 H ILE 558 H ILE 558 8.826 -2.497 -7.401 278 HA ILE 558 HA ILE 558 7.273 -4.068 -5.628 279 HB ILE 558 HB ILE 558 9.842 -4.795 -7.040 280 HG12 ILE 558 1HG1 ILE 558 7.996 -4.062 -8.542 281 HG13 ILE 558 2HG1 ILE 558 8.434 -5.752 -8.762 282 HG21 ILE 558 1HG2 ILE 558 7.953 -6.311 -5.341 283 HG22 ILE 558 2HG2 ILE 558 8.549 -7.119 -6.791 284 HG23 ILE 558 3HG2 ILE 558 9.687 -6.524 -5.581 285 HD11 ILE 558 1HD1 ILE 558 6.358 -6.386 -8.354 286 HD12 ILE 558 2HD1 ILE 558 6.351 -5.529 -6.812 287 HD13 ILE 558 3HD1 ILE 558 5.897 -4.685 -8.292 288 H GLY 559 H GLY 559 7.809 -5.081 -3.705 289 HA2 GLY 559 1HA GLY 559 9.895 -3.738 -2.169 290 HA3 GLY 559 2HA GLY 559 8.632 -4.775 -1.524 291 H GLU 560 H GLU 560 10.204 -5.875 -0.268 292 HA GLU 560 HA GLU 560 11.796 -7.788 -1.843 293 HB2 GLU 560 1HB GLU 560 12.586 -6.496 0.775 294 HB3 GLU 560 2HB GLU 560 13.498 -7.747 -0.057 295 HG2 GLU 560 1HG GLU 560 14.622 -5.883 -0.734 296 HG3 GLU 560 2HG GLU 560 13.449 -6.044 -2.040 297 H GLY 561 H GLY 561 11.211 -9.824 -1.509 298 HA2 GLY 561 1HA GLY 561 10.525 -11.738 -0.423 299 HA3 GLY 561 2HA GLY 561 10.682 -10.870 1.097 300 H GLY 562 H GLY 562 8.596 -10.620 -1.792 301 HA2 GLY 562 1HA GLY 562 6.297 -10.692 -1.968 302 HA3 GLY 562 2HA GLY 562 6.239 -11.281 -0.313 303 H PHE 563 H PHE 563 7.994 -8.392 -0.706 304 HA PHE 563 HA PHE 563 5.856 -6.916 0.624 305 HB2 PHE 563 1HB PHE 563 8.767 -6.830 0.637 306 HB3 PHE 563 2HB PHE 563 8.057 -5.231 0.439 307 HD1 PHE 563 1HD PHE 563 8.762 -7.916 2.715 308 HD2 PHE 563 2HD PHE 563 6.409 -4.415 2.145 309 HE1 PHE 563 1HE PHE 563 8.333 -7.815 5.135 310 HE2 PHE 563 2HE PHE 563 5.978 -4.308 4.565 311 HZ PHE 563 HZ PHE 563 6.941 -6.008 6.064 312 H TRP 564 H TRP 564 5.902 -4.452 0.015 313 HA TRP 564 HA TRP 564 6.254 -3.987 -2.829 314 HB2 TRP 564 1HB TRP 564 3.734 -4.772 -1.819 315 HB3 TRP 564 2HB TRP 564 3.623 -3.045 -2.151 316 HD1 TRP 564 HD TRP 564 5.563 -3.089 -4.753 317 HE1 TRP 564 1HE TRP 564 4.629 -4.052 -6.949 318 HE3 TRP 564 3HE TRP 564 1.750 -5.908 -2.845 319 HZ2 TRP 564 2HZ TRP 564 2.550 -5.779 -7.765 320 HZ3 TRP 564 3HZ TRP 564 0.335 -7.186 -4.400 321 HH2 TRP 564 HH TRP 564 0.728 -7.120 -6.809 322 H GLU 565 H GLU 565 5.896 -1.713 -3.415 323 HA GLU 565 HA GLU 565 6.073 0.110 -1.113 324 HB2 GLU 565 1HB GLU 565 8.254 -0.536 -2.581 325 HB3 GLU 565 2HB GLU 565 7.651 0.832 -3.507 326 HG2 GLU 565 1HG GLU 565 7.999 1.027 -0.544 327 HG3 GLU 565 2HG GLU 565 9.367 1.244 -1.635 328 H GLY 566 H GLY 566 4.418 1.469 -1.198 329 HA2 GLY 566 1HA GLY 566 3.864 2.956 -3.610 330 HA3 GLY 566 2HA GLY 566 2.584 1.841 -3.160 331 H SER 567 H SER 567 1.158 3.605 -2.858 332 HA SER 567 HA SER 567 1.651 5.090 -0.360 333 HB2 SER 567 1HB SER 567 1.136 7.058 -1.337 334 HB3 SER 567 2HB SER 567 1.412 6.222 -2.864 335 HG SER 567 HG SER 567 -0.619 7.226 -2.859 336 H ALA 568 H ALA 568 -0.203 5.578 0.920 337 HA ALA 568 HA ALA 568 -2.791 4.570 0.275 338 HB1 ALA 568 1HB ALA 568 -1.267 2.532 0.937 339 HB2 ALA 568 2HB ALA 568 -1.617 3.089 2.575 340 HB3 ALA 568 3HB ALA 568 -2.937 2.639 1.495 341 H ARG 569 H ARG 569 -4.282 5.627 1.443 342 HA ARG 569 HA ARG 569 -5.208 7.061 2.946 343 HB2 ARG 569 1HB ARG 569 -3.285 5.489 4.601 344 HB3 ARG 569 2HB ARG 569 -4.039 6.905 5.319 345 HG2 ARG 569 1HG ARG 569 -5.816 4.975 3.948 346 HG3 ARG 569 2HG ARG 569 -5.099 4.478 5.482 347 HD2 ARG 569 1HD ARG 569 -7.022 5.482 6.224 348 HD3 ARG 569 2HD ARG 569 -5.909 6.850 6.262 349 HE ARG 569 HE ARG 569 -7.164 6.752 3.750 350 HH11 ARG 569 1HH1 ARG 569 -7.881 7.436 7.087 351 HH12 ARG 569 2HH1 ARG 569 -9.166 8.538 6.720 352 HH21 ARG 569 1HH2 ARG 569 -8.853 8.200 3.254 353 HH22 ARG 569 2HH2 ARG 569 -9.720 8.971 4.540 354 H GLY 570 H GLY 570 -2.827 7.853 1.310 355 HA2 GLY 570 1HA GLY 570 -1.878 9.952 0.980 356 HA3 GLY 570 2HA GLY 570 -2.423 10.421 2.584 357 H HIS 571 H HIS 571 -0.718 7.457 2.384 358 HA HIS 571 HA HIS 571 1.763 8.780 3.254 359 HB2 HIS 571 1HB HIS 571 0.599 6.246 4.428 360 HB3 HIS 571 2HB HIS 571 2.106 7.019 4.913 361 HD1 HIS 571 1HD HIS 571 0.894 9.960 4.942 362 HD2 HIS 571 2HD HIS 571 -0.689 6.623 6.844 363 HE1 HIS 571 1HE HIS 571 -0.516 10.862 6.819 364 H ILE 572 H ILE 572 3.530 8.168 2.186 365 HA ILE 572 HA ILE 572 3.325 5.860 0.387 366 HB ILE 572 HB ILE 572 5.319 8.128 0.377 367 HG12 ILE 572 1HG1 ILE 572 3.550 7.823 -1.928 368 HG13 ILE 572 2HG1 ILE 572 2.672 8.152 -0.438 369 HG21 ILE 572 1HG2 ILE 572 6.547 6.596 -0.728 370 HG22 ILE 572 2HG2 ILE 572 5.149 5.586 -1.094 371 HG23 ILE 572 3HG2 ILE 572 5.486 7.012 -2.073 372 HD11 ILE 572 1HD1 ILE 572 3.393 10.268 -0.339 373 HD12 ILE 572 2HD1 ILE 572 5.016 9.851 -0.891 374 HD13 ILE 572 3HD1 ILE 572 3.708 10.042 -2.059 375 H GLY 573 H GLY 573 4.346 4.036 0.874 376 HA2 GLY 573 1HA GLY 573 6.981 3.947 1.930 377 HA3 GLY 573 2HA GLY 573 5.808 3.600 3.192 378 H TRP 574 H TRP 574 6.835 1.502 3.310 379 HA TRP 574 HA TRP 574 6.291 -0.282 1.053 380 HB2 TRP 574 1HB TRP 574 8.167 -0.309 3.347 381 HB3 TRP 574 2HB TRP 574 7.544 -1.874 2.833 382 HD1 TRP 574 HD TRP 574 8.140 -2.646 0.290 383 HE1 TRP 574 1HE TRP 574 10.134 -2.029 -1.217 384 HE3 TRP 574 3HE TRP 574 9.762 1.527 2.758 385 HZ2 TRP 574 2HZ TRP 574 12.131 -0.037 -1.342 386 HZ3 TRP 574 3HZ TRP 574 11.721 2.730 1.880 387 HH2 TRP 574 HH TRP 574 12.879 1.962 -0.127 388 H PHE 575 H PHE 575 5.442 -2.475 1.573 389 HA PHE 575 HA PHE 575 4.014 -2.989 3.951 390 HB2 PHE 575 1HB PHE 575 1.716 -2.744 3.145 391 HB3 PHE 575 2HB PHE 575 2.551 -1.195 3.113 392 HD1 PHE 575 1HD PHE 575 2.837 0.000 1.104 393 HD2 PHE 575 2HD PHE 575 1.368 -3.994 1.019 394 HE1 PHE 575 1HE PHE 575 2.247 0.271 -1.270 395 HE2 PHE 575 2HE PHE 575 0.777 -3.729 -1.355 396 HZ PHE 575 HZ PHE 575 1.217 -1.596 -2.503 397 HA PRO 576 HA PRO 576 4.076 -7.033 2.245 398 HB2 PRO 576 1HB PRO 576 1.990 -8.182 3.548 399 HB3 PRO 576 2HB PRO 576 3.522 -7.794 4.341 400 HG2 PRO 576 1HG PRO 576 0.943 -6.273 4.355 401 HG3 PRO 576 2HG PRO 576 2.051 -6.608 5.697 402 HD2 PRO 576 1HD PRO 576 2.007 -4.230 4.404 403 HD3 PRO 576 2HD PRO 576 3.492 -4.912 5.097 404 H ALA 577 H ALA 577 3.414 -7.829 0.355 405 HA ALA 577 HA ALA 577 1.261 -6.734 -1.096 406 HB1 ALA 577 1HB ALA 577 1.783 -8.313 -2.798 407 HB2 ALA 577 2HB ALA 577 3.307 -7.814 -2.063 408 HB3 ALA 577 3HB ALA 577 2.598 -9.375 -1.649 409 H GLU 578 H GLU 578 1.493 -9.442 1.076 410 HA GLU 578 HA GLU 578 -0.827 -10.832 0.267 411 HB2 GLU 578 1HB GLU 578 -0.725 -11.846 2.549 412 HB3 GLU 578 2HB GLU 578 0.783 -11.947 1.652 413 HG2 GLU 578 1HG GLU 578 1.858 -10.453 3.014 414 HG3 GLU 578 2HG GLU 578 0.363 -9.659 3.505 415 H CYS 579 H CYS 579 -0.437 -7.844 1.794 416 HA CYS 579 HA CYS 579 -3.006 -7.929 3.165 417 HB2 CYS 579 1HB CYS 579 -0.642 -6.154 3.188 418 HB3 CYS 579 2HB CYS 579 -2.192 -5.356 3.419 419 HG CYS 579 HG CYS 579 -0.579 -6.222 5.806 420 H VAL 580 H VAL 580 -1.778 -7.126 0.118 421 HA VAL 580 HA VAL 580 -4.116 -5.433 -0.473 422 HB VAL 580 HB VAL 580 -2.773 -4.804 -2.554 423 HG11 VAL 580 1HG1 VAL 580 -1.443 -3.902 -0.024 424 HG12 VAL 580 2HG1 VAL 580 -1.825 -2.971 -1.473 425 HG13 VAL 580 3HG1 VAL 580 -3.115 -3.469 -0.378 426 HG21 VAL 580 1HG2 VAL 580 -0.344 -5.029 -2.374 427 HG22 VAL 580 2HG2 VAL 580 -0.536 -5.965 -0.892 428 HG23 VAL 580 3HG2 VAL 580 -1.129 -6.607 -2.424 429 H GLU 581 H GLU 581 -5.168 -5.737 -2.531 430 HA GLU 581 HA GLU 581 -4.633 -8.182 -3.992 431 HB2 GLU 581 1HB GLU 581 -6.037 -9.026 -2.203 432 HB3 GLU 581 2HB GLU 581 -7.224 -7.761 -2.493 433 HG2 GLU 581 1HG GLU 581 -7.897 -8.712 -4.532 434 HG3 GLU 581 2HG GLU 581 -6.493 -9.776 -4.591 435 H GLU 582 H GLU 582 -5.471 -8.180 -6.062 436 HA GLU 582 HA GLU 582 -5.957 -5.692 -7.256 437 HB2 GLU 582 1HB GLU 582 -6.323 -8.524 -8.195 438 HB3 GLU 582 2HB GLU 582 -6.771 -7.164 -9.214 439 HG2 GLU 582 1HG GLU 582 -4.295 -6.408 -8.554 440 HG3 GLU 582 2HG GLU 582 -4.104 -8.156 -8.436 441 H VAL 583 H VAL 583 -7.812 -4.726 -8.064 442 HA VAL 583 HA VAL 583 -10.111 -4.797 -6.545 443 HB VAL 583 HB VAL 583 -9.997 -4.032 -9.464 444 HG11 VAL 583 1HG1 VAL 583 -12.258 -4.233 -8.511 445 HG12 VAL 583 2HG1 VAL 583 -11.814 -3.078 -7.254 446 HG13 VAL 583 3HG1 VAL 583 -11.857 -2.572 -8.944 447 HG21 VAL 583 1HG2 VAL 583 -9.190 -2.548 -6.983 448 HG22 VAL 583 2HG2 VAL 583 -8.270 -2.797 -8.467 449 HG23 VAL 583 3HG2 VAL 583 -9.655 -1.705 -8.461 450 H GLN 584 H GLN 584 -12.082 -5.805 -6.672 451 HA GLN 584 HA GLN 584 -12.376 -7.913 -8.704 452 HB2 GLN 584 1HB GLN 584 -12.817 -8.103 -5.731 453 HB3 GLN 584 2HB GLN 584 -13.557 -9.233 -6.856 454 HG2 GLN 584 1HG GLN 584 -11.047 -9.438 -7.695 455 HG3 GLN 584 2HG GLN 584 -10.730 -8.949 -6.031 456 HE21 GLN 584 1HE2 GLN 584 -11.753 -11.966 -4.597 457 HE22 GLN 584 2HE2 GLN 584 -11.388 -10.297 -4.340 458 H SER 585 H SER 585 -14.191 -7.743 -9.831 459 HA SER 585 HA SER 585 -16.357 -6.074 -8.753 460 HB2 SER 585 1HB SER 585 -15.201 -5.571 -11.014 461 HB3 SER 585 2HB SER 585 -16.128 -6.940 -11.627 462 HG SER 585 HG SER 585 -17.394 -4.867 -10.199 Start of MODEL 5 1 H1 MET 525 H MET 525 3.829 -8.620 -18.281 2 HA MET 525 HA MET 525 1.769 -7.188 -16.797 3 HB2 MET 525 1HB MET 525 1.633 -9.639 -16.973 4 HB3 MET 525 2HB MET 525 3.189 -9.783 -16.165 5 HG2 MET 525 1HG MET 525 2.327 -9.081 -14.119 6 HG3 MET 525 2HG MET 525 0.890 -8.383 -14.861 7 HE1 MET 525 1HE MET 525 2.775 -11.604 -13.840 8 HE2 MET 525 2HE MET 525 1.801 -10.980 -12.508 9 HE3 MET 525 3HE MET 525 1.416 -12.545 -13.226 10 H VAL 526 H VAL 526 2.775 -5.344 -16.051 11 HA VAL 526 HA VAL 526 4.963 -5.777 -14.122 12 HB VAL 526 HB VAL 526 5.541 -3.329 -14.612 13 HG11 VAL 526 1HG1 VAL 526 7.266 -4.254 -15.658 14 HG12 VAL 526 2HG1 VAL 526 6.344 -5.752 -15.802 15 HG13 VAL 526 3HG1 VAL 526 6.280 -4.550 -17.090 16 HG21 VAL 526 1HG2 VAL 526 4.225 -3.842 -17.255 17 HG22 VAL 526 2HG2 VAL 526 3.342 -3.074 -15.936 18 HG23 VAL 526 3HG2 VAL 526 4.801 -2.320 -16.576 19 HA PRO 527 HA PRO 527 2.490 -3.923 -11.005 20 HB2 PRO 527 1HB PRO 527 4.362 -2.624 -9.530 21 HB3 PRO 527 2HB PRO 527 4.196 -4.384 -9.538 22 HG2 PRO 527 1HG PRO 527 6.128 -2.658 -11.038 23 HG3 PRO 527 2HG PRO 527 6.421 -4.183 -10.184 24 HD2 PRO 527 1HD PRO 527 6.136 -4.050 -12.873 25 HD3 PRO 527 2HD PRO 527 5.615 -5.459 -11.927 26 H GLY 528 H GLY 528 2.529 -1.636 -9.697 27 HA2 GLY 528 1HA GLY 528 2.653 0.734 -9.899 28 HA3 GLY 528 2HA GLY 528 2.831 0.547 -11.637 29 H ARG 529 H ARG 529 0.420 -1.409 -10.218 30 HA ARG 529 HA ARG 529 -1.641 0.279 -11.433 31 HB2 ARG 529 1HB ARG 529 -1.555 -2.621 -10.627 32 HB3 ARG 529 2HB ARG 529 -3.069 -1.814 -11.015 33 HG2 ARG 529 1HG ARG 529 -0.730 -1.881 -12.898 34 HG3 ARG 529 2HG ARG 529 -1.991 -3.116 -12.880 35 HD2 ARG 529 1HD ARG 529 -2.598 -0.185 -13.165 36 HD3 ARG 529 2HD ARG 529 -2.261 -1.220 -14.552 37 HE ARG 529 HE ARG 529 -4.231 -2.520 -13.169 38 HH11 ARG 529 1HH1 ARG 529 -3.863 0.642 -14.580 39 HH12 ARG 529 2HH1 ARG 529 -5.551 0.829 -14.921 40 HH21 ARG 529 1HH2 ARG 529 -6.456 -2.285 -13.614 41 HH22 ARG 529 2HH2 ARG 529 -7.025 -0.836 -14.372 42 H LEU 530 H LEU 530 -3.888 -0.285 -10.159 43 HA LEU 530 HA LEU 530 -3.441 0.830 -7.487 44 HB2 LEU 530 1HB LEU 530 -6.131 0.568 -8.757 45 HB3 LEU 530 2HB LEU 530 -5.558 1.759 -7.592 46 HG LEU 530 HG LEU 530 -5.009 1.661 -10.552 47 HD11 LEU 530 1HD1 LEU 530 -6.975 2.783 -10.402 48 HD12 LEU 530 2HD1 LEU 530 -5.883 4.126 -10.067 49 HD13 LEU 530 3HD1 LEU 530 -6.688 3.293 -8.738 50 HD21 LEU 530 1HD2 LEU 530 -3.666 3.219 -8.370 51 HD22 LEU 530 2HD2 LEU 530 -3.767 3.844 -10.017 52 HD23 LEU 530 3HD2 LEU 530 -2.940 2.319 -9.701 53 H PHE 531 H PHE 531 -3.381 -0.583 -5.876 54 HA PHE 531 HA PHE 531 -4.957 -3.049 -6.077 55 HB2 PHE 531 1HB PHE 531 -2.454 -2.288 -4.646 56 HB3 PHE 531 2HB PHE 531 -3.475 -3.527 -3.921 57 HD1 PHE 531 1HD PHE 531 -1.465 -2.645 -6.876 58 HD2 PHE 531 2HD PHE 531 -3.610 -5.710 -4.844 59 HE1 PHE 531 1HE PHE 531 -0.475 -4.327 -8.375 60 HE2 PHE 531 2HE PHE 531 -2.623 -7.396 -6.339 61 HZ PHE 531 HZ PHE 531 -1.053 -6.707 -8.107 62 H VAL 532 H VAL 532 -5.870 -3.864 -3.974 63 HA VAL 532 HA VAL 532 -6.892 -1.646 -2.327 64 HB VAL 532 HB VAL 532 -8.534 -4.053 -3.107 65 HG11 VAL 532 1HG1 VAL 532 -10.271 -2.091 -2.438 66 HG12 VAL 532 2HG1 VAL 532 -9.669 -3.307 -1.311 67 HG13 VAL 532 3HG1 VAL 532 -8.920 -1.712 -1.371 68 HG21 VAL 532 1HG2 VAL 532 -8.229 -1.390 -4.428 69 HG22 VAL 532 2HG2 VAL 532 -8.347 -2.993 -5.153 70 HG23 VAL 532 3HG2 VAL 532 -9.782 -2.224 -4.476 71 H ALA 533 H ALA 533 -6.336 -1.890 -0.274 72 HA ALA 533 HA ALA 533 -5.176 -4.250 0.761 73 HB1 ALA 533 1HB ALA 533 -4.469 -2.279 1.781 74 HB2 ALA 533 2HB ALA 533 -6.117 -1.692 2.007 75 HB3 ALA 533 3HB ALA 533 -5.512 -3.023 2.992 76 H ILE 534 H ILE 534 -6.088 -6.023 1.556 77 HA ILE 534 HA ILE 534 -8.953 -5.941 2.225 78 HB ILE 534 HB ILE 534 -8.948 -8.386 1.856 79 HG12 ILE 534 1HG1 ILE 534 -6.285 -8.177 0.517 80 HG13 ILE 534 2HG1 ILE 534 -6.334 -8.387 2.264 81 HG21 ILE 534 1HG2 ILE 534 -8.443 -6.359 -0.193 82 HG22 ILE 534 2HG2 ILE 534 -8.143 -8.013 -0.723 83 HG23 ILE 534 3HG2 ILE 534 -9.723 -7.567 -0.080 84 HD11 ILE 534 1HD1 ILE 534 -7.728 -10.410 1.917 85 HD12 ILE 534 2HD1 ILE 534 -7.481 -10.225 0.180 86 HD13 ILE 534 3HD1 ILE 534 -6.104 -10.528 1.240 87 H LYS 535 H LYS 535 -5.828 -6.382 3.507 88 HA LYS 535 HA LYS 535 -6.994 -7.330 6.040 89 HB2 LYS 535 1HB LYS 535 -4.339 -8.112 4.827 90 HB3 LYS 535 2HB LYS 535 -4.825 -8.495 6.473 91 HG2 LYS 535 1HG LYS 535 -6.507 -9.334 4.145 92 HG3 LYS 535 2HG LYS 535 -5.107 -10.283 4.649 93 HD2 LYS 535 1HD LYS 535 -6.050 -10.503 6.889 94 HD3 LYS 535 2HD LYS 535 -7.437 -9.522 6.411 95 HE2 LYS 535 1HE LYS 535 -7.493 -11.417 4.489 96 HE3 LYS 535 2HE LYS 535 -6.811 -12.343 5.826 97 HZ1 LYS 535 1HZ LYS 535 -9.436 -11.009 5.656 98 HZ2 LYS 535 2HZ LYS 535 -8.745 -11.358 7.160 99 HZ3 LYS 535 3HZ LYS 535 -9.084 -12.610 6.074 100 HA PRO 536 HA PRO 536 -5.249 -3.569 7.598 101 HB2 PRO 536 1HB PRO 536 -5.663 -4.080 10.233 102 HB3 PRO 536 2HB PRO 536 -6.960 -3.602 9.131 103 HG2 PRO 536 1HG PRO 536 -6.213 -6.332 10.105 104 HG3 PRO 536 2HG PRO 536 -7.822 -5.610 9.924 105 HD2 PRO 536 1HD PRO 536 -6.787 -7.333 8.112 106 HD3 PRO 536 2HD PRO 536 -7.889 -6.018 7.657 107 H TYR 537 H TYR 537 -3.339 -2.877 8.504 108 HA TYR 537 HA TYR 537 -1.647 -4.635 10.022 109 HB2 TYR 537 1HB TYR 537 -1.421 -4.919 7.307 110 HB3 TYR 537 2HB TYR 537 -0.185 -3.713 7.644 111 HD1 TYR 537 1HD TYR 537 -1.382 -7.035 8.857 112 HD2 TYR 537 2HD TYR 537 1.924 -4.416 8.296 113 HE1 TYR 537 1HE TYR 537 0.146 -8.816 9.595 114 HE2 TYR 537 2HE TYR 537 3.461 -6.189 9.032 115 HH TYR 537 HH TYR 537 2.266 -9.257 10.277 116 H GLN 538 H GLN 538 0.222 -3.569 10.869 117 HA GLN 538 HA GLN 538 0.086 -0.633 10.656 118 HB2 GLN 538 1HB GLN 538 0.506 -2.419 13.031 119 HB3 GLN 538 2HB GLN 538 1.127 -0.774 13.035 120 HG2 GLN 538 1HG GLN 538 -1.740 -1.634 12.753 121 HG3 GLN 538 2HG GLN 538 -1.001 -0.803 14.120 122 HE21 GLN 538 1HE2 GLN 538 -0.976 2.372 12.576 123 HE22 GLN 538 2HE2 GLN 538 -0.178 1.366 13.732 124 HA PRO 539 HA PRO 539 4.319 -0.513 9.519 125 HB2 PRO 539 1HB PRO 539 5.182 1.726 10.789 126 HB3 PRO 539 2HB PRO 539 4.111 1.771 9.383 127 HG2 PRO 539 1HG PRO 539 3.432 2.014 12.289 128 HG3 PRO 539 2HG PRO 539 2.818 2.951 10.915 129 HD2 PRO 539 1HD PRO 539 1.420 0.921 12.036 130 HD3 PRO 539 2HD PRO 539 1.316 1.311 10.307 131 H GLN 540 H GLN 540 5.842 -1.863 10.222 132 HA GLN 540 HA GLN 540 6.707 -1.674 13.027 133 HB2 GLN 540 1HB GLN 540 5.927 -4.086 11.448 134 HB3 GLN 540 2HB GLN 540 7.208 -4.240 12.644 135 HG2 GLN 540 1HG GLN 540 5.391 -4.798 13.901 136 HG3 GLN 540 2HG GLN 540 5.474 -3.064 14.209 137 HE21 GLN 540 1HE2 GLN 540 2.494 -4.573 11.842 138 HE22 GLN 540 2HE2 GLN 540 3.995 -5.412 12.008 139 H VAL 541 H VAL 541 7.622 -0.967 10.081 140 HA VAL 541 HA VAL 541 10.439 -1.499 10.644 141 HB VAL 541 HB VAL 541 9.292 -2.054 7.909 142 HG11 VAL 541 1HG1 VAL 541 11.993 -2.107 9.133 143 HG12 VAL 541 2HG1 VAL 541 11.608 -3.357 7.950 144 HG13 VAL 541 3HG1 VAL 541 11.495 -1.655 7.504 145 HG21 VAL 541 1HG2 VAL 541 9.971 -3.987 10.122 146 HG22 VAL 541 2HG2 VAL 541 8.390 -3.720 9.388 147 HG23 VAL 541 3HG2 VAL 541 9.687 -4.452 8.444 148 H ASP 542 H ASP 542 11.891 -0.084 9.563 149 HA ASP 542 HA ASP 542 10.977 2.561 9.310 150 HB2 ASP 542 1HB ASP 542 13.557 1.309 8.343 151 HB3 ASP 542 2HB ASP 542 13.253 3.041 8.437 152 H GLY 543 H GLY 543 9.668 3.268 7.757 153 HA2 GLY 543 1HA GLY 543 9.534 4.043 5.468 154 HA3 GLY 543 2HA GLY 543 10.330 2.557 4.972 155 H GLU 544 H GLU 544 8.544 1.091 6.956 156 HA GLU 544 HA GLU 544 6.563 0.313 5.096 157 HB2 GLU 544 1HB GLU 544 7.338 -0.414 7.838 158 HB3 GLU 544 2HB GLU 544 5.630 -0.633 7.484 159 HG2 GLU 544 1HG GLU 544 6.457 -1.871 5.379 160 HG3 GLU 544 2HG GLU 544 7.998 -1.957 6.231 161 H ILE 545 H ILE 545 4.199 0.299 5.594 162 HA ILE 545 HA ILE 545 3.298 2.649 7.090 163 HB ILE 545 HB ILE 545 1.629 2.959 5.079 164 HG12 ILE 545 1HG1 ILE 545 4.082 1.833 3.710 165 HG13 ILE 545 2HG1 ILE 545 2.518 1.031 3.807 166 HG21 ILE 545 1HG2 ILE 545 4.434 3.976 4.737 167 HG22 ILE 545 2HG2 ILE 545 2.917 4.784 4.343 168 HG23 ILE 545 3HG2 ILE 545 3.376 4.543 6.028 169 HD11 ILE 545 1HD1 ILE 545 1.778 2.132 2.037 170 HD12 ILE 545 2HD1 ILE 545 2.240 3.685 2.734 171 HD13 ILE 545 3HD1 ILE 545 3.416 2.746 1.815 172 HA PRO 546 HA PRO 546 -0.027 0.104 8.405 173 HB2 PRO 546 1HB PRO 546 -2.065 1.888 8.588 174 HB3 PRO 546 2HB PRO 546 -0.710 1.857 9.723 175 HG2 PRO 546 1HG PRO 546 -1.158 3.634 7.356 176 HG3 PRO 546 2HG PRO 546 -0.559 4.052 8.972 177 HD2 PRO 546 1HD PRO 546 1.088 3.727 6.848 178 HD3 PRO 546 2HD PRO 546 1.578 3.327 8.507 179 H LEU 547 H LEU 547 -2.349 -0.493 7.902 180 HA LEU 547 HA LEU 547 -3.191 0.036 5.170 181 HB2 LEU 547 1HB LEU 547 -2.315 -2.650 6.173 182 HB3 LEU 547 2HB LEU 547 -3.497 -2.505 4.874 183 HG LEU 547 HG LEU 547 -0.778 -1.234 4.707 184 HD11 LEU 547 1HD1 LEU 547 0.212 -3.179 4.315 185 HD12 LEU 547 2HD1 LEU 547 -1.029 -3.634 3.149 186 HD13 LEU 547 3HD1 LEU 547 -1.258 -3.985 4.861 187 HD21 LEU 547 1HD2 LEU 547 -2.206 -2.227 2.335 188 HD22 LEU 547 2HD2 LEU 547 -1.320 -0.722 2.584 189 HD23 LEU 547 3HD2 LEU 547 -2.976 -0.879 3.172 190 H HIS 548 H HIS 548 -5.366 -0.640 4.736 191 HA HIS 548 HA HIS 548 -6.940 -1.569 7.010 192 HB2 HIS 548 1HB HIS 548 -6.765 1.138 6.487 193 HB3 HIS 548 2HB HIS 548 -8.245 0.670 5.657 194 HD1 HIS 548 1HD HIS 548 -6.835 1.284 9.005 195 HD2 HIS 548 2HD HIS 548 -10.269 -0.403 7.384 196 HE1 HIS 548 1HE HIS 548 -8.468 1.122 10.910 197 H ARG 549 H ARG 549 -8.985 -2.422 6.440 198 HA ARG 549 HA ARG 549 -9.045 -3.644 3.867 199 HB2 ARG 549 1HB ARG 549 -11.301 -3.545 5.868 200 HB3 ARG 549 2HB ARG 549 -11.035 -4.746 4.613 201 HG2 ARG 549 1HG ARG 549 -9.059 -5.552 5.767 202 HG3 ARG 549 2HG ARG 549 -9.260 -4.310 7.006 203 HD2 ARG 549 1HD ARG 549 -11.713 -5.509 7.000 204 HD3 ARG 549 2HD ARG 549 -10.645 -6.867 6.650 205 HE ARG 549 HE ARG 549 -9.758 -5.257 8.856 206 HH11 ARG 549 1HH1 ARG 549 -11.829 -7.886 7.892 207 HH12 ARG 549 2HH1 ARG 549 -11.860 -8.609 9.465 208 HH21 ARG 549 1HH2 ARG 549 -9.792 -6.201 10.931 209 HH22 ARG 549 2HH2 ARG 549 -10.702 -7.650 11.194 210 H GLY 550 H GLY 550 -9.707 -2.719 2.049 211 HA2 GLY 550 1HA GLY 550 -11.475 -1.788 0.730 212 HA3 GLY 550 2HA GLY 550 -12.026 -0.914 2.151 213 H ASP 551 H ASP 551 -8.717 -0.717 2.038 214 HA ASP 551 HA ASP 551 -8.844 2.033 1.124 215 HB2 ASP 551 1HB ASP 551 -7.111 0.468 2.845 216 HB3 ASP 551 2HB ASP 551 -6.179 1.413 1.688 217 H ARG 552 H ARG 552 -7.893 2.855 -0.685 218 HA ARG 552 HA ARG 552 -7.102 0.910 -2.710 219 HB2 ARG 552 1HB ARG 552 -8.203 3.649 -2.717 220 HB3 ARG 552 2HB ARG 552 -7.034 3.310 -3.987 221 HG2 ARG 552 1HG ARG 552 -9.281 2.899 -4.774 222 HG3 ARG 552 2HG ARG 552 -8.377 1.386 -4.696 223 HD2 ARG 552 1HD ARG 552 -10.566 0.986 -3.823 224 HD3 ARG 552 2HD ARG 552 -9.427 0.955 -2.477 225 HE ARG 552 HE ARG 552 -10.493 2.769 -1.587 226 HH11 ARG 552 1HH1 ARG 552 -11.381 2.468 -4.940 227 HH12 ARG 552 2HH1 ARG 552 -12.584 3.714 -4.867 228 HH21 ARG 552 1HH2 ARG 552 -12.073 4.411 -1.480 229 HH22 ARG 552 2HH2 ARG 552 -12.976 4.819 -2.899 230 H VAL 553 H VAL 553 -5.011 0.343 -2.389 231 HA VAL 553 HA VAL 553 -3.010 2.376 -1.823 232 HB VAL 553 HB VAL 553 -2.745 -0.618 -2.127 233 HG11 VAL 553 1HG1 VAL 553 -0.757 1.516 -1.971 234 HG12 VAL 553 2HG1 VAL 553 -0.538 0.251 -0.759 235 HG13 VAL 553 3HG1 VAL 553 -0.581 -0.165 -2.473 236 HG21 VAL 553 1HG2 VAL 553 -3.316 1.180 0.136 237 HG22 VAL 553 2HG2 VAL 553 -3.736 -0.517 -0.101 238 HG23 VAL 553 3HG2 VAL 553 -2.116 -0.076 0.439 239 H LYS 554 H LYS 554 -1.477 3.087 -3.218 240 HA LYS 554 HA LYS 554 -1.727 2.194 -6.009 241 HB2 LYS 554 1HB LYS 554 -2.090 4.660 -5.258 242 HB3 LYS 554 2HB LYS 554 -0.335 4.715 -5.161 243 HG2 LYS 554 1HG LYS 554 -1.574 3.684 -7.657 244 HG3 LYS 554 2HG LYS 554 -1.622 5.420 -7.345 245 HD2 LYS 554 1HD LYS 554 0.701 5.611 -7.370 246 HD3 LYS 554 2HD LYS 554 0.940 3.884 -7.091 247 HE2 LYS 554 1HE LYS 554 0.478 3.334 -9.294 248 HE3 LYS 554 2HE LYS 554 -0.415 4.826 -9.585 249 HZ1 LYS 554 1HZ LYS 554 2.475 4.352 -9.621 250 HZ2 LYS 554 2HZ LYS 554 1.928 5.873 -9.123 251 HZ3 LYS 554 3HZ LYS 554 1.523 5.289 -10.658 252 H VAL 555 H VAL 555 -0.252 0.690 -6.468 253 HA VAL 555 HA VAL 555 2.254 0.474 -5.128 254 HB VAL 555 HB VAL 555 1.311 -0.855 -7.672 255 HG11 VAL 555 1HG1 VAL 555 3.745 -0.859 -7.490 256 HG12 VAL 555 2HG1 VAL 555 3.629 -1.539 -5.865 257 HG13 VAL 555 3HG1 VAL 555 3.090 -2.480 -7.257 258 HG21 VAL 555 1HG2 VAL 555 0.846 -2.781 -6.232 259 HG22 VAL 555 2HG2 VAL 555 1.318 -1.839 -4.818 260 HG23 VAL 555 3HG2 VAL 555 -0.103 -1.374 -5.753 261 H LEU 556 H LEU 556 4.314 0.934 -5.856 262 HA LEU 556 HA LEU 556 4.515 2.523 -8.324 263 HB2 LEU 556 1HB LEU 556 6.065 3.094 -5.809 264 HB3 LEU 556 2HB LEU 556 5.997 4.067 -7.277 265 HG LEU 556 HG LEU 556 3.556 3.610 -5.589 266 HD11 LEU 556 1HD1 LEU 556 4.045 5.351 -4.177 267 HD12 LEU 556 2HD1 LEU 556 5.219 6.063 -5.283 268 HD13 LEU 556 3HD1 LEU 556 5.638 4.616 -4.366 269 HD21 LEU 556 1HD2 LEU 556 3.554 4.560 -7.985 270 HD22 LEU 556 2HD2 LEU 556 4.241 6.008 -7.248 271 HD23 LEU 556 3HD2 LEU 556 2.658 5.423 -6.734 272 H SER 557 H SER 557 6.268 0.614 -5.904 273 HA SER 557 HA SER 557 7.880 -0.546 -8.034 274 HB2 SER 557 1HB SER 557 9.348 1.214 -7.423 275 HB3 SER 557 2HB SER 557 9.019 0.997 -5.704 276 HG SER 557 HG SER 557 10.273 -0.961 -7.329 277 H ILE 558 H ILE 558 8.738 -2.576 -7.536 278 HA ILE 558 HA ILE 558 7.252 -4.104 -5.673 279 HB ILE 558 HB ILE 558 9.809 -4.856 -7.095 280 HG12 ILE 558 1HG1 ILE 558 7.959 -4.165 -8.610 281 HG13 ILE 558 2HG1 ILE 558 8.394 -5.862 -8.784 282 HG21 ILE 558 1HG2 ILE 558 8.455 -7.164 -6.767 283 HG22 ILE 558 2HG2 ILE 558 9.683 -6.578 -5.646 284 HG23 ILE 558 3HG2 ILE 558 7.975 -6.304 -5.305 285 HD11 ILE 558 1HD1 ILE 558 5.859 -4.787 -8.345 286 HD12 ILE 558 2HD1 ILE 558 6.323 -6.488 -8.333 287 HD13 ILE 558 3HD1 ILE 558 6.315 -5.565 -6.831 288 H GLY 559 H GLY 559 7.854 -5.061 -3.735 289 HA2 GLY 559 1HA GLY 559 9.956 -3.636 -2.294 290 HA3 GLY 559 2HA GLY 559 8.714 -4.653 -1.581 291 H GLU 560 H GLU 560 10.151 -5.841 -0.336 292 HA GLU 560 HA GLU 560 11.776 -7.755 -1.865 293 HB2 GLU 560 1HB GLU 560 12.600 -6.073 0.476 294 HB3 GLU 560 2HB GLU 560 13.334 -7.652 0.231 295 HG2 GLU 560 1HG GLU 560 13.265 -5.611 -1.958 296 HG3 GLU 560 2HG GLU 560 14.521 -5.596 -0.721 297 H GLY 561 H GLY 561 11.182 -9.775 -1.459 298 HA2 GLY 561 1HA GLY 561 10.523 -11.652 -0.290 299 HA3 GLY 561 2HA GLY 561 10.678 -10.723 1.194 300 H GLY 562 H GLY 562 8.587 -10.598 -1.700 301 HA2 GLY 562 1HA GLY 562 6.291 -10.667 -1.875 302 HA3 GLY 562 2HA GLY 562 6.235 -11.225 -0.211 303 H PHE 563 H PHE 563 7.976 -8.337 -0.649 304 HA PHE 563 HA PHE 563 5.827 -6.846 0.649 305 HB2 PHE 563 1HB PHE 563 8.740 -6.742 0.660 306 HB3 PHE 563 2HB PHE 563 8.015 -5.152 0.448 307 HD1 PHE 563 1HD PHE 563 6.398 -4.310 2.153 308 HD2 PHE 563 2HD PHE 563 8.713 -7.833 2.745 309 HE1 PHE 563 1HE PHE 563 5.967 -4.183 4.571 310 HE2 PHE 563 2HE PHE 563 8.284 -7.712 5.164 311 HZ PHE 563 HZ PHE 563 6.909 -5.886 6.081 312 H TRP 564 H TRP 564 5.908 -4.380 -0.004 313 HA TRP 564 HA TRP 564 6.249 -3.973 -2.855 314 HB2 TRP 564 1HB TRP 564 3.727 -4.732 -1.832 315 HB3 TRP 564 2HB TRP 564 3.621 -3.012 -2.194 316 HD1 TRP 564 HD TRP 564 5.557 -3.100 -4.796 317 HE1 TRP 564 1HE TRP 564 4.621 -4.100 -6.975 318 HE3 TRP 564 3HE TRP 564 1.744 -5.887 -2.836 319 HZ2 TRP 564 2HZ TRP 564 2.541 -5.841 -7.759 320 HZ3 TRP 564 3HZ TRP 564 0.329 -7.190 -4.369 321 HH2 TRP 564 HH TRP 564 0.719 -7.166 -6.778 322 H GLU 565 H GLU 565 5.944 -1.716 -3.486 323 HA GLU 565 HA GLU 565 6.144 0.145 -1.212 324 HB2 GLU 565 1HB GLU 565 8.284 -0.515 -2.716 325 HB3 GLU 565 2HB GLU 565 7.647 0.813 -3.676 326 HG2 GLU 565 1HG GLU 565 7.650 2.191 -1.574 327 HG3 GLU 565 2HG GLU 565 8.548 0.880 -0.812 328 H GLY 566 H GLY 566 4.528 1.551 -1.262 329 HA2 GLY 566 1HA GLY 566 3.888 3.000 -3.663 330 HA3 GLY 566 2HA GLY 566 2.623 1.877 -3.186 331 H SER 567 H SER 567 1.229 3.698 -2.903 332 HA SER 567 HA SER 567 1.743 5.150 -0.390 333 HB2 SER 567 1HB SER 567 1.855 6.619 -2.401 334 HB3 SER 567 2HB SER 567 0.188 6.183 -2.773 335 HG SER 567 HG SER 567 -0.396 7.667 -1.424 336 H ALA 568 H ALA 568 -0.037 5.544 0.967 337 HA ALA 568 HA ALA 568 -2.667 4.626 0.325 338 HB1 ALA 568 1HB ALA 568 -1.219 2.528 0.848 339 HB2 ALA 568 2HB ALA 568 -1.414 3.042 2.525 340 HB3 ALA 568 3HB ALA 568 -2.833 2.676 1.544 341 H ARG 569 H ARG 569 -4.154 5.555 1.631 342 HA ARG 569 HA ARG 569 -5.035 6.929 3.214 343 HB2 ARG 569 1HB ARG 569 -2.960 5.403 4.719 344 HB3 ARG 569 2HB ARG 569 -3.715 6.781 5.508 345 HG2 ARG 569 1HG ARG 569 -5.891 5.483 4.552 346 HG3 ARG 569 2HG ARG 569 -4.803 4.133 4.880 347 HD2 ARG 569 1HD ARG 569 -4.754 4.544 7.137 348 HD3 ARG 569 2HD ARG 569 -5.101 6.261 6.940 349 HE ARG 569 HE ARG 569 -7.325 4.720 6.128 350 HH11 ARG 569 1HH1 ARG 569 -5.606 5.740 8.980 351 HH12 ARG 569 2HH1 ARG 569 -7.000 5.657 10.007 352 HH21 ARG 569 1HH2 ARG 569 -9.166 4.608 7.471 353 HH22 ARG 569 2HH2 ARG 569 -9.024 5.013 9.148 354 H GLY 570 H GLY 570 -2.755 7.812 1.459 355 HA2 GLY 570 1HA GLY 570 -1.889 9.942 1.101 356 HA3 GLY 570 2HA GLY 570 -2.393 10.390 2.724 357 H HIS 571 H HIS 571 -0.589 7.491 2.456 358 HA HIS 571 HA HIS 571 1.886 8.900 3.193 359 HB2 HIS 571 1HB HIS 571 0.736 6.453 4.548 360 HB3 HIS 571 2HB HIS 571 2.338 7.112 4.861 361 HD1 HIS 571 1HD HIS 571 2.305 9.672 5.812 362 HD2 HIS 571 2HD HIS 571 -1.219 7.493 6.117 363 HE1 HIS 571 1HE HIS 571 0.918 10.873 7.532 364 H ILE 572 H ILE 572 3.665 8.221 2.164 365 HA ILE 572 HA ILE 572 3.405 5.890 0.400 366 HB ILE 572 HB ILE 572 5.435 8.126 0.336 367 HG12 ILE 572 1HG1 ILE 572 3.634 7.813 -1.943 368 HG13 ILE 572 2HG1 ILE 572 2.781 8.185 -0.449 369 HG21 ILE 572 1HG2 ILE 572 6.633 6.589 -0.781 370 HG22 ILE 572 2HG2 ILE 572 5.233 5.556 -1.064 371 HG23 ILE 572 3HG2 ILE 572 5.525 6.949 -2.106 372 HD11 ILE 572 1HD1 ILE 572 3.291 10.312 -0.730 373 HD12 ILE 572 2HD1 ILE 572 5.002 9.910 -0.579 374 HD13 ILE 572 3HD1 ILE 572 4.235 9.922 -2.167 375 H GLY 573 H GLY 573 4.474 4.070 0.815 376 HA2 GLY 573 1HA GLY 573 7.091 3.960 1.884 377 HA3 GLY 573 2HA GLY 573 5.923 3.630 3.156 378 H TRP 574 H TRP 574 6.920 1.522 3.285 379 HA TRP 574 HA TRP 574 6.356 -0.269 1.038 380 HB2 TRP 574 1HB TRP 574 8.229 -0.307 3.337 381 HB3 TRP 574 2HB TRP 574 7.594 -1.867 2.822 382 HD1 TRP 574 HD TRP 574 8.103 -2.549 0.194 383 HE1 TRP 574 1HE TRP 574 10.140 -1.984 -1.272 384 HE3 TRP 574 3HE TRP 574 9.967 1.386 2.875 385 HZ2 TRP 574 2HZ TRP 574 12.259 -0.119 -1.291 386 HZ3 TRP 574 3HZ TRP 574 12.003 2.505 2.065 387 HH2 TRP 574 HH TRP 574 13.124 1.766 0.025 388 H PHE 575 H PHE 575 5.425 -2.408 1.515 389 HA PHE 575 HA PHE 575 4.004 -2.902 3.916 390 HB2 PHE 575 1HB PHE 575 1.715 -2.640 3.094 391 HB3 PHE 575 2HB PHE 575 2.569 -1.100 3.049 392 HD1 PHE 575 1HD PHE 575 1.366 -3.910 0.981 393 HD2 PHE 575 2HD PHE 575 2.879 0.068 1.026 394 HE1 PHE 575 1HE PHE 575 0.793 -3.669 -1.399 395 HE2 PHE 575 2HE PHE 575 2.307 0.316 -1.354 396 HZ PHE 575 HZ PHE 575 1.261 -1.553 -2.570 397 HA PRO 576 HA PRO 576 4.034 -6.963 2.253 398 HB2 PRO 576 1HB PRO 576 1.928 -8.076 3.556 399 HB3 PRO 576 2HB PRO 576 3.458 -7.696 4.353 400 HG2 PRO 576 1HG PRO 576 0.897 -6.148 4.334 401 HG3 PRO 576 2HG PRO 576 1.993 -6.481 5.688 402 HD2 PRO 576 1HD PRO 576 1.982 -4.116 4.370 403 HD3 PRO 576 2HD PRO 576 3.455 -4.807 5.079 404 H ALA 577 H ALA 577 3.348 -7.837 0.400 405 HA ALA 577 HA ALA 577 1.208 -6.716 -1.077 406 HB1 ALA 577 1HB ALA 577 2.646 -9.318 -1.580 407 HB2 ALA 577 2HB ALA 577 1.703 -8.389 -2.746 408 HB3 ALA 577 3HB ALA 577 3.210 -7.731 -2.106 409 H GLU 578 H GLU 578 1.463 -9.450 1.070 410 HA GLU 578 HA GLU 578 -0.850 -10.844 0.272 411 HB2 GLU 578 1HB GLU 578 -0.758 -11.808 2.598 412 HB3 GLU 578 2HB GLU 578 0.718 -11.975 1.659 413 HG2 GLU 578 1HG GLU 578 1.847 -10.382 2.913 414 HG3 GLU 578 2HG GLU 578 0.358 -9.683 3.545 415 H CYS 579 H CYS 579 -0.473 -7.859 1.838 416 HA CYS 579 HA CYS 579 -3.051 -7.955 3.180 417 HB2 CYS 579 1HB CYS 579 -0.713 -6.134 3.182 418 HB3 CYS 579 2HB CYS 579 -2.281 -5.384 3.457 419 HG CYS 579 HG CYS 579 -0.693 -6.105 5.836 420 H VAL 580 H VAL 580 -1.776 -7.071 0.152 421 HA VAL 580 HA VAL 580 -4.164 -5.457 -0.460 422 HB VAL 580 HB VAL 580 -2.806 -4.730 -2.493 423 HG11 VAL 580 1HG1 VAL 580 -1.932 -2.899 -1.353 424 HG12 VAL 580 2HG1 VAL 580 -3.215 -3.468 -0.283 425 HG13 VAL 580 3HG1 VAL 580 -1.531 -3.855 0.073 426 HG21 VAL 580 1HG2 VAL 580 -0.417 -4.939 -2.397 427 HG22 VAL 580 2HG2 VAL 580 -0.505 -5.751 -0.833 428 HG23 VAL 580 3HG2 VAL 580 -1.122 -6.552 -2.278 429 H GLU 581 H GLU 581 -5.245 -5.810 -2.455 430 HA GLU 581 HA GLU 581 -4.575 -8.220 -3.949 431 HB2 GLU 581 1HB GLU 581 -6.045 -9.082 -2.233 432 HB3 GLU 581 2HB GLU 581 -7.218 -7.812 -2.546 433 HG2 GLU 581 1HG GLU 581 -7.722 -8.725 -4.703 434 HG3 GLU 581 2HG GLU 581 -6.425 -9.908 -4.552 435 H GLU 582 H GLU 582 -5.412 -8.272 -6.040 436 HA GLU 582 HA GLU 582 -5.850 -5.764 -7.256 437 HB2 GLU 582 1HB GLU 582 -6.092 -8.602 -8.217 438 HB3 GLU 582 2HB GLU 582 -6.539 -7.254 -9.254 439 HG2 GLU 582 1HG GLU 582 -4.117 -6.423 -8.483 440 HG3 GLU 582 2HG GLU 582 -3.879 -8.165 -8.365 441 H VAL 583 H VAL 583 -7.691 -4.861 -8.185 442 HA VAL 583 HA VAL 583 -10.060 -4.994 -6.765 443 HB VAL 583 HB VAL 583 -9.827 -4.204 -9.670 444 HG11 VAL 583 1HG1 VAL 583 -11.790 -3.445 -7.510 445 HG12 VAL 583 2HG1 VAL 583 -11.709 -2.696 -9.106 446 HG13 VAL 583 3HG1 VAL 583 -12.119 -4.405 -8.952 447 HG21 VAL 583 1HG2 VAL 583 -9.079 -2.778 -7.150 448 HG22 VAL 583 2HG2 VAL 583 -8.198 -2.892 -8.674 449 HG23 VAL 583 3HG2 VAL 583 -9.628 -1.867 -8.557 450 H GLN 584 H GLN 584 -12.083 -5.926 -7.147 451 HA GLN 584 HA GLN 584 -12.116 -8.152 -9.074 452 HB2 GLN 584 1HB GLN 584 -13.459 -9.441 -7.435 453 HB3 GLN 584 2HB GLN 584 -11.827 -9.103 -6.872 454 HG2 GLN 584 1HG GLN 584 -12.735 -7.207 -5.555 455 HG3 GLN 584 2HG GLN 584 -14.356 -7.705 -6.036 456 HE21 GLN 584 1HE2 GLN 584 -12.320 -9.683 -3.141 457 HE22 GLN 584 2HE2 GLN 584 -11.575 -8.457 -4.103 458 H SER 585 H SER 585 -13.731 -8.047 -10.480 459 HA SER 585 HA SER 585 -16.065 -6.380 -9.803 460 HB2 SER 585 1HB SER 585 -14.654 -5.543 -11.686 461 HB3 SER 585 2HB SER 585 -15.007 -7.032 -12.564 462 HG SER 585 HG SER 585 -16.768 -4.951 -11.830 Start of MODEL 6 1 H1 MET 525 H MET 525 4.168 -10.119 -14.438 2 HA MET 525 HA MET 525 2.247 -8.554 -12.856 3 HB2 MET 525 1HB MET 525 4.553 -10.229 -11.853 4 HB3 MET 525 2HB MET 525 3.290 -9.484 -10.881 5 HG2 MET 525 1HG MET 525 1.633 -10.945 -11.820 6 HG3 MET 525 2HG MET 525 2.809 -11.615 -12.948 7 HE1 MET 525 1HE MET 525 4.425 -13.954 -12.060 8 HE2 MET 525 2HE MET 525 3.067 -14.777 -11.291 9 HE3 MET 525 3HE MET 525 2.796 -13.765 -12.710 10 H VAL 526 H VAL 526 2.735 -6.450 -13.071 11 HA VAL 526 HA VAL 526 5.441 -5.609 -12.315 12 HB VAL 526 HB VAL 526 5.207 -3.750 -14.066 13 HG11 VAL 526 1HG1 VAL 526 6.572 -4.918 -15.467 14 HG12 VAL 526 2HG1 VAL 526 6.592 -6.014 -14.083 15 HG13 VAL 526 3HG1 VAL 526 5.541 -6.348 -15.459 16 HG21 VAL 526 1HG2 VAL 526 2.762 -4.459 -14.486 17 HG22 VAL 526 2HG2 VAL 526 3.760 -4.015 -15.870 18 HG23 VAL 526 3HG2 VAL 526 3.463 -5.714 -15.508 19 HA PRO 527 HA PRO 527 3.435 -2.629 -9.794 20 HB2 PRO 527 1HB PRO 527 5.206 -0.572 -9.873 21 HB3 PRO 527 2HB PRO 527 5.516 -2.074 -8.993 22 HG2 PRO 527 1HG PRO 527 6.478 -1.232 -11.699 23 HG3 PRO 527 2HG PRO 527 7.371 -2.035 -10.395 24 HD2 PRO 527 1HD PRO 527 6.390 -3.378 -12.532 25 HD3 PRO 527 2HD PRO 527 6.517 -4.112 -10.920 26 H GLY 528 H GLY 528 3.203 -0.001 -9.827 27 HA2 GLY 528 1HA GLY 528 2.322 1.852 -10.889 28 HA3 GLY 528 2HA GLY 528 2.710 1.102 -12.431 29 H ARG 529 H ARG 529 0.752 -0.441 -9.967 30 HA ARG 529 HA ARG 529 -1.612 -0.062 -11.687 31 HB2 ARG 529 1HB ARG 529 -0.688 -2.538 -10.231 32 HB3 ARG 529 2HB ARG 529 -2.327 -2.348 -10.839 33 HG2 ARG 529 1HG ARG 529 0.040 -2.023 -12.643 34 HG3 ARG 529 2HG ARG 529 -0.630 -3.614 -12.279 35 HD2 ARG 529 1HD ARG 529 -2.893 -2.452 -12.934 36 HD3 ARG 529 2HD ARG 529 -1.825 -1.346 -13.798 37 HE ARG 529 HE ARG 529 -1.148 -4.014 -14.414 38 HH11 ARG 529 1HH1 ARG 529 -3.615 -1.631 -15.007 39 HH12 ARG 529 2HH1 ARG 529 -4.065 -2.289 -16.545 40 HH21 ARG 529 1HH2 ARG 529 -1.732 -4.890 -16.437 41 HH22 ARG 529 2HH2 ARG 529 -2.993 -4.144 -17.357 42 H LEU 530 H LEU 530 -3.644 -0.861 -10.313 43 HA LEU 530 HA LEU 530 -3.522 0.640 -7.785 44 HB2 LEU 530 1HB LEU 530 -5.758 0.169 -9.738 45 HB3 LEU 530 2HB LEU 530 -6.043 0.772 -8.106 46 HG LEU 530 HG LEU 530 -4.457 2.677 -8.714 47 HD11 LEU 530 1HD1 LEU 530 -4.869 1.401 -11.394 48 HD12 LEU 530 2HD1 LEU 530 -3.372 1.951 -10.644 49 HD13 LEU 530 3HD1 LEU 530 -4.544 3.127 -11.237 50 HD21 LEU 530 1HD2 LEU 530 -7.020 2.537 -10.289 51 HD22 LEU 530 2HD2 LEU 530 -6.226 3.973 -9.641 52 HD23 LEU 530 3HD2 LEU 530 -6.957 2.797 -8.546 53 H PHE 531 H PHE 531 -3.546 -0.563 -6.018 54 HA PHE 531 HA PHE 531 -4.972 -3.141 -6.086 55 HB2 PHE 531 1HB PHE 531 -2.434 -2.304 -4.715 56 HB3 PHE 531 2HB PHE 531 -3.386 -3.645 -4.084 57 HD1 PHE 531 1HD PHE 531 -1.665 -2.425 -7.135 58 HD2 PHE 531 2HD PHE 531 -3.177 -5.778 -4.994 59 HE1 PHE 531 1HE PHE 531 -0.593 -3.937 -8.753 60 HE2 PHE 531 2HE PHE 531 -2.106 -7.296 -6.608 61 HZ PHE 531 HZ PHE 531 -0.811 -6.375 -8.490 62 H VAL 532 H VAL 532 -5.883 -3.849 -4.003 63 HA VAL 532 HA VAL 532 -6.721 -1.575 -2.324 64 HB VAL 532 HB VAL 532 -8.636 -2.096 -3.624 65 HG11 VAL 532 1HG1 VAL 532 -9.502 -4.579 -3.410 66 HG12 VAL 532 2HG1 VAL 532 -8.343 -4.116 -4.658 67 HG13 VAL 532 3HG1 VAL 532 -7.786 -4.913 -3.186 68 HG21 VAL 532 1HG2 VAL 532 -9.442 -3.741 -1.330 69 HG22 VAL 532 2HG2 VAL 532 -8.654 -2.220 -0.911 70 HG23 VAL 532 3HG2 VAL 532 -10.099 -2.215 -1.921 71 H ALA 533 H ALA 533 -6.483 -1.841 -0.191 72 HA ALA 533 HA ALA 533 -5.177 -4.170 0.818 73 HB1 ALA 533 1HB ALA 533 -5.607 -2.963 3.059 74 HB2 ALA 533 2HB ALA 533 -4.528 -2.211 1.883 75 HB3 ALA 533 3HB ALA 533 -6.186 -1.635 2.052 76 H ILE 534 H ILE 534 -6.053 -5.972 1.591 77 HA ILE 534 HA ILE 534 -8.929 -5.969 2.222 78 HB ILE 534 HB ILE 534 -8.770 -8.459 1.885 79 HG12 ILE 534 1HG1 ILE 534 -6.278 -8.015 0.310 80 HG13 ILE 534 2HG1 ILE 534 -6.125 -8.194 2.054 81 HG21 ILE 534 1HG2 ILE 534 -8.567 -6.370 -0.174 82 HG22 ILE 534 2HG2 ILE 534 -8.269 -8.015 -0.734 83 HG23 ILE 534 3HG2 ILE 534 -9.790 -7.618 0.065 84 HD11 ILE 534 1HD1 ILE 534 -6.578 -10.388 1.993 85 HD12 ILE 534 2HD1 ILE 534 -7.796 -10.211 0.729 86 HD13 ILE 534 3HD1 ILE 534 -6.084 -10.239 0.308 87 H LYS 535 H LYS 535 -5.808 -6.349 3.534 88 HA LYS 535 HA LYS 535 -6.980 -7.340 6.047 89 HB2 LYS 535 1HB LYS 535 -4.198 -8.006 5.078 90 HB3 LYS 535 2HB LYS 535 -5.015 -8.650 6.496 91 HG2 LYS 535 1HG LYS 535 -6.757 -9.493 4.735 92 HG3 LYS 535 2HG LYS 535 -5.401 -9.311 3.620 93 HD2 LYS 535 1HD LYS 535 -5.180 -11.510 4.323 94 HD3 LYS 535 2HD LYS 535 -4.079 -10.652 5.404 95 HE2 LYS 535 1HE LYS 535 -5.779 -10.628 7.143 96 HE3 LYS 535 2HE LYS 535 -6.923 -11.421 6.060 97 HZ1 LYS 535 1HZ LYS 535 -5.741 -13.403 6.141 98 HZ2 LYS 535 2HZ LYS 535 -5.670 -12.853 7.738 99 HZ3 LYS 535 3HZ LYS 535 -4.330 -12.672 6.721 100 HA PRO 536 HA PRO 536 -5.283 -3.570 7.639 101 HB2 PRO 536 1HB PRO 536 -5.729 -4.094 10.265 102 HB3 PRO 536 2HB PRO 536 -7.015 -3.620 9.149 103 HG2 PRO 536 1HG PRO 536 -6.261 -6.349 10.121 104 HG3 PRO 536 2HG PRO 536 -7.874 -5.637 9.923 105 HD2 PRO 536 1HD PRO 536 -6.804 -7.346 8.116 106 HD3 PRO 536 2HD PRO 536 -7.908 -6.037 7.653 107 H TYR 537 H TYR 537 -3.382 -2.873 8.548 108 HA TYR 537 HA TYR 537 -1.705 -4.597 10.111 109 HB2 TYR 537 1HB TYR 537 -1.459 -4.931 7.391 110 HB3 TYR 537 2HB TYR 537 -0.197 -3.756 7.742 111 HD1 TYR 537 1HD TYR 537 -1.514 -7.026 8.973 112 HD2 TYR 537 2HD TYR 537 1.880 -4.518 8.432 113 HE1 TYR 537 1HE TYR 537 -0.053 -8.842 9.760 114 HE2 TYR 537 2HE TYR 537 3.350 -6.327 9.215 115 HH TYR 537 HH TYR 537 2.184 -9.098 10.769 116 H GLN 538 H GLN 538 0.159 -3.516 10.945 117 HA GLN 538 HA GLN 538 0.043 -0.587 10.642 118 HB2 GLN 538 1HB GLN 538 0.307 -2.315 13.060 119 HB3 GLN 538 2HB GLN 538 1.120 -0.755 13.053 120 HG2 GLN 538 1HG GLN 538 -1.731 -0.825 12.250 121 HG3 GLN 538 2HG GLN 538 -1.348 -1.067 13.954 122 HE21 GLN 538 1HE2 GLN 538 -1.299 2.593 12.348 123 HE22 GLN 538 2HE2 GLN 538 -1.843 1.182 11.512 124 HA PRO 539 HA PRO 539 4.298 -0.509 9.580 125 HB2 PRO 539 1HB PRO 539 5.171 1.724 10.852 126 HB3 PRO 539 2HB PRO 539 4.119 1.777 9.433 127 HG2 PRO 539 1HG PRO 539 3.408 2.039 12.328 128 HG3 PRO 539 2HG PRO 539 2.822 2.978 10.943 129 HD2 PRO 539 1HD PRO 539 1.385 0.971 12.055 130 HD3 PRO 539 2HD PRO 539 1.307 1.355 10.324 131 H GLN 540 H GLN 540 5.932 -1.725 10.274 132 HA GLN 540 HA GLN 540 6.699 -1.599 13.107 133 HB2 GLN 540 1HB GLN 540 5.913 -3.985 11.513 134 HB3 GLN 540 2HB GLN 540 7.249 -4.169 12.642 135 HG2 GLN 540 1HG GLN 540 5.596 -4.700 14.064 136 HG3 GLN 540 2HG GLN 540 5.489 -2.950 14.245 137 HE21 GLN 540 1HE2 GLN 540 2.133 -3.072 13.468 138 HE22 GLN 540 2HE2 GLN 540 3.404 -2.536 14.508 139 H VAL 541 H VAL 541 7.646 -0.925 10.134 140 HA VAL 541 HA VAL 541 10.464 -1.355 10.772 141 HB VAL 541 HB VAL 541 9.394 -2.047 8.038 142 HG11 VAL 541 1HG1 VAL 541 11.761 -3.293 8.239 143 HG12 VAL 541 2HG1 VAL 541 11.583 -1.648 7.625 144 HG13 VAL 541 3HG1 VAL 541 12.061 -1.917 9.301 145 HG21 VAL 541 1HG2 VAL 541 9.919 -4.418 8.712 146 HG22 VAL 541 2HG2 VAL 541 10.013 -3.842 10.376 147 HG23 VAL 541 3HG2 VAL 541 8.499 -3.707 9.481 148 H ASP 542 H ASP 542 11.896 0.060 9.665 149 HA ASP 542 HA ASP 542 10.979 2.672 9.347 150 HB2 ASP 542 1HB ASP 542 13.224 3.037 8.190 151 HB3 ASP 542 2HB ASP 542 13.279 2.381 9.824 152 H GLY 543 H GLY 543 9.585 3.353 7.857 153 HA2 GLY 543 1HA GLY 543 9.336 4.085 5.560 154 HA3 GLY 543 2HA GLY 543 10.083 2.576 5.055 155 H GLU 544 H GLU 544 8.564 0.897 6.840 156 HA GLU 544 HA GLU 544 6.446 0.179 5.231 157 HB2 GLU 544 1HB GLU 544 7.223 -0.380 8.035 158 HB3 GLU 544 2HB GLU 544 5.553 -0.727 7.606 159 HG2 GLU 544 1HG GLU 544 6.471 -2.056 5.661 160 HG3 GLU 544 2HG GLU 544 8.052 -1.895 6.424 161 H ILE 545 H ILE 545 4.143 0.333 5.528 162 HA ILE 545 HA ILE 545 3.256 2.682 7.056 163 HB ILE 545 HB ILE 545 1.587 2.948 5.027 164 HG12 ILE 545 1HG1 ILE 545 4.058 1.812 3.700 165 HG13 ILE 545 2HG1 ILE 545 2.502 0.995 3.807 166 HG21 ILE 545 1HG2 ILE 545 3.559 4.429 5.995 167 HG22 ILE 545 2HG2 ILE 545 4.295 4.015 4.449 168 HG23 ILE 545 3HG2 ILE 545 2.738 4.841 4.490 169 HD11 ILE 545 1HD1 ILE 545 3.399 2.706 1.795 170 HD12 ILE 545 2HD1 ILE 545 1.779 2.037 1.996 171 HD13 ILE 545 3HD1 ILE 545 2.174 3.613 2.682 172 HA PRO 546 HA PRO 546 -0.108 0.221 8.427 173 HB2 PRO 546 1HB PRO 546 -2.128 2.031 8.543 174 HB3 PRO 546 2HB PRO 546 -0.780 2.021 9.686 175 HG2 PRO 546 1HG PRO 546 -1.196 3.728 7.262 176 HG3 PRO 546 2HG PRO 546 -0.602 4.190 8.868 177 HD2 PRO 546 1HD PRO 546 1.053 3.782 6.764 178 HD3 PRO 546 2HD PRO 546 1.530 3.428 8.437 179 H LEU 547 H LEU 547 -2.379 -0.444 7.918 180 HA LEU 547 HA LEU 547 -3.255 0.052 5.190 181 HB2 LEU 547 1HB LEU 547 -2.364 -2.631 6.205 182 HB3 LEU 547 2HB LEU 547 -3.492 -2.467 4.861 183 HG LEU 547 HG LEU 547 -0.771 -1.188 4.821 184 HD11 LEU 547 1HD1 LEU 547 -1.256 -3.948 4.917 185 HD12 LEU 547 2HD1 LEU 547 0.241 -3.129 4.476 186 HD13 LEU 547 3HD1 LEU 547 -0.925 -3.566 3.227 187 HD21 LEU 547 1HD2 LEU 547 -2.075 -2.167 2.378 188 HD22 LEU 547 2HD2 LEU 547 -1.234 -0.647 2.690 189 HD23 LEU 547 3HD2 LEU 547 -2.914 -0.848 3.194 190 H HIS 548 H HIS 548 -5.423 -0.598 4.790 191 HA HIS 548 HA HIS 548 -6.961 -1.609 7.053 192 HB2 HIS 548 1HB HIS 548 -6.804 1.067 6.797 193 HB3 HIS 548 2HB HIS 548 -8.152 0.751 5.708 194 HD1 HIS 548 1HD HIS 548 -10.392 0.302 6.751 195 HD2 HIS 548 2HD HIS 548 -7.296 0.248 9.521 196 HE1 HIS 548 1HE HIS 548 -11.506 0.178 9.002 197 H ARG 549 H ARG 549 -8.990 -2.481 6.481 198 HA ARG 549 HA ARG 549 -9.079 -3.629 3.882 199 HB2 ARG 549 1HB ARG 549 -11.323 -3.562 5.901 200 HB3 ARG 549 2HB ARG 549 -11.078 -4.733 4.612 201 HG2 ARG 549 1HG ARG 549 -9.115 -5.601 5.724 202 HG3 ARG 549 2HG ARG 549 -9.258 -4.372 6.982 203 HD2 ARG 549 1HD ARG 549 -11.747 -5.548 6.968 204 HD3 ARG 549 2HD ARG 549 -10.663 -6.906 6.666 205 HE ARG 549 HE ARG 549 -9.919 -6.743 8.822 206 HH11 ARG 549 1HH1 ARG 549 -11.589 -3.809 7.971 207 HH12 ARG 549 2HH1 ARG 549 -11.548 -3.165 9.579 208 HH21 ARG 549 1HH2 ARG 549 -9.860 -5.906 10.944 209 HH22 ARG 549 2HH2 ARG 549 -10.564 -4.358 11.269 210 H GLY 550 H GLY 550 -9.695 -2.617 2.095 211 HA2 GLY 550 1HA GLY 550 -11.493 -1.671 0.804 212 HA3 GLY 550 2HA GLY 550 -12.017 -0.811 2.243 213 H ASP 551 H ASP 551 -8.709 -0.654 2.101 214 HA ASP 551 HA ASP 551 -8.813 2.106 1.199 215 HB2 ASP 551 1HB ASP 551 -7.117 0.537 2.947 216 HB3 ASP 551 2HB ASP 551 -6.156 1.453 1.790 217 H ARG 552 H ARG 552 -8.018 2.867 -0.675 218 HA ARG 552 HA ARG 552 -7.157 0.930 -2.659 219 HB2 ARG 552 1HB ARG 552 -8.416 3.546 -2.679 220 HB3 ARG 552 2HB ARG 552 -7.077 3.465 -3.816 221 HG2 ARG 552 1HG ARG 552 -9.213 2.881 -4.855 222 HG3 ARG 552 2HG ARG 552 -8.069 1.539 -4.895 223 HD2 ARG 552 1HD ARG 552 -9.402 0.236 -3.667 224 HD3 ARG 552 2HD ARG 552 -9.714 1.523 -2.502 225 HE ARG 552 HE ARG 552 -11.390 0.724 -4.678 226 HH11 ARG 552 1HH1 ARG 552 -10.461 3.409 -2.666 227 HH12 ARG 552 2HH1 ARG 552 -11.954 4.258 -2.884 228 HH21 ARG 552 1HH2 ARG 552 -13.361 1.833 -4.973 229 HH22 ARG 552 2HH2 ARG 552 -13.604 3.361 -4.197 230 H VAL 553 H VAL 553 -5.067 0.364 -2.357 231 HA VAL 553 HA VAL 553 -3.063 2.398 -1.795 232 HB VAL 553 HB VAL 553 -2.803 -0.597 -2.089 233 HG11 VAL 553 1HG1 VAL 553 -0.584 0.232 -0.746 234 HG12 VAL 553 2HG1 VAL 553 -0.644 -0.116 -2.475 235 HG13 VAL 553 3HG1 VAL 553 -0.809 1.545 -1.902 236 HG21 VAL 553 1HG2 VAL 553 -3.450 -0.715 0.032 237 HG22 VAL 553 2HG2 VAL 553 -2.141 0.369 0.502 238 HG23 VAL 553 3HG2 VAL 553 -3.712 1.029 0.050 239 H LYS 554 H LYS 554 -1.496 3.070 -3.182 240 HA LYS 554 HA LYS 554 -1.764 2.182 -5.975 241 HB2 LYS 554 1HB LYS 554 -2.220 4.578 -5.530 242 HB3 LYS 554 2HB LYS 554 -0.584 4.754 -4.908 243 HG2 LYS 554 1HG LYS 554 -0.433 5.552 -7.078 244 HG3 LYS 554 2HG LYS 554 0.167 3.897 -7.208 245 HD2 LYS 554 1HD LYS 554 -2.447 3.472 -7.664 246 HD3 LYS 554 2HD LYS 554 -2.300 5.118 -8.285 247 HE2 LYS 554 1HE LYS 554 -0.744 2.684 -9.142 248 HE3 LYS 554 2HE LYS 554 -1.915 3.598 -10.094 249 HZ1 LYS 554 1HZ LYS 554 0.807 4.408 -9.270 250 HZ2 LYS 554 2HZ LYS 554 -0.338 5.542 -9.782 251 HZ3 LYS 554 3HZ LYS 554 0.165 4.316 -10.832 252 H VAL 555 H VAL 555 -0.282 0.707 -6.482 253 HA VAL 555 HA VAL 555 2.217 0.464 -5.122 254 HB VAL 555 HB VAL 555 1.279 -0.838 -7.683 255 HG11 VAL 555 1HG1 VAL 555 3.714 -0.845 -7.489 256 HG12 VAL 555 2HG1 VAL 555 3.588 -1.551 -5.876 257 HG13 VAL 555 3HG1 VAL 555 3.055 -2.467 -7.286 258 HG21 VAL 555 1HG2 VAL 555 1.192 -1.735 -4.809 259 HG22 VAL 555 2HG2 VAL 555 -0.173 -1.455 -5.889 260 HG23 VAL 555 3HG2 VAL 555 0.919 -2.808 -6.182 261 H LEU 556 H LEU 556 4.274 0.950 -5.820 262 HA LEU 556 HA LEU 556 4.471 2.609 -8.247 263 HB2 LEU 556 1HB LEU 556 5.925 2.990 -5.633 264 HB3 LEU 556 2HB LEU 556 6.204 3.928 -7.099 265 HG LEU 556 HG LEU 556 3.722 3.921 -5.386 266 HD11 LEU 556 1HD1 LEU 556 4.290 6.293 -5.081 267 HD12 LEU 556 2HD1 LEU 556 5.771 6.045 -6.005 268 HD13 LEU 556 3HD1 LEU 556 5.545 5.220 -4.463 269 HD21 LEU 556 1HD2 LEU 556 3.541 5.969 -7.252 270 HD22 LEU 556 2HD2 LEU 556 2.596 4.480 -7.223 271 HD23 LEU 556 3HD2 LEU 556 4.073 4.570 -8.183 272 H SER 557 H SER 557 6.179 0.468 -6.005 273 HA SER 557 HA SER 557 7.640 -0.704 -8.204 274 HB2 SER 557 1HB SER 557 9.058 1.232 -7.620 275 HB3 SER 557 2HB SER 557 9.147 0.655 -5.955 276 HG SER 557 HG SER 557 10.954 -0.095 -6.970 277 H ILE 558 H ILE 558 8.592 -2.709 -7.683 278 HA ILE 558 HA ILE 558 7.238 -4.175 -5.678 279 HB ILE 558 HB ILE 558 9.739 -4.997 -7.154 280 HG12 ILE 558 1HG1 ILE 558 7.920 -4.269 -8.683 281 HG13 ILE 558 2HG1 ILE 558 8.283 -5.985 -8.823 282 HG21 ILE 558 1HG2 ILE 558 9.549 -6.678 -5.657 283 HG22 ILE 558 2HG2 ILE 558 7.841 -6.363 -5.358 284 HG23 ILE 558 3HG2 ILE 558 8.334 -7.258 -6.796 285 HD11 ILE 558 1HD1 ILE 558 5.795 -4.829 -8.453 286 HD12 ILE 558 2HD1 ILE 558 6.202 -6.540 -8.309 287 HD13 ILE 558 3HD1 ILE 558 6.208 -5.507 -6.879 288 H GLY 559 H GLY 559 7.995 -5.100 -3.764 289 HA2 GLY 559 1HA GLY 559 10.172 -3.595 -2.509 290 HA3 GLY 559 2HA GLY 559 8.963 -4.559 -1.673 291 H GLU 560 H GLU 560 10.140 -5.977 -0.528 292 HA GLU 560 HA GLU 560 11.778 -7.873 -2.035 293 HB2 GLU 560 1HB GLU 560 12.730 -6.117 0.187 294 HB3 GLU 560 2HB GLU 560 13.381 -7.744 0.054 295 HG2 GLU 560 1HG GLU 560 13.697 -6.956 -2.476 296 HG3 GLU 560 2HG GLU 560 13.785 -5.387 -1.678 297 H GLY 561 H GLY 561 11.151 -9.866 -1.556 298 HA2 GLY 561 1HA GLY 561 10.507 -11.697 -0.305 299 HA3 GLY 561 2HA GLY 561 10.694 -10.719 1.143 300 H GLY 562 H GLY 562 8.562 -10.659 -1.723 301 HA2 GLY 562 1HA GLY 562 6.266 -10.674 -1.872 302 HA3 GLY 562 2HA GLY 562 6.223 -11.235 -0.206 303 H PHE 563 H PHE 563 7.974 -8.347 -0.742 304 HA PHE 563 HA PHE 563 5.864 -6.838 0.608 305 HB2 PHE 563 1HB PHE 563 8.774 -6.778 0.608 306 HB3 PHE 563 2HB PHE 563 8.081 -5.176 0.373 307 HD1 PHE 563 1HD PHE 563 6.328 -4.390 2.047 308 HD2 PHE 563 2HD PHE 563 8.886 -7.723 2.728 309 HE1 PHE 563 1HE PHE 563 5.904 -4.216 4.465 310 HE2 PHE 563 2HE PHE 563 8.466 -7.557 5.146 311 HZ PHE 563 HZ PHE 563 6.972 -5.803 6.017 312 H TRP 564 H TRP 564 5.871 -4.405 -0.047 313 HA TRP 564 HA TRP 564 6.226 -3.991 -2.902 314 HB2 TRP 564 1HB TRP 564 3.713 -4.745 -1.863 315 HB3 TRP 564 2HB TRP 564 3.606 -3.023 -2.217 316 HD1 TRP 564 HD TRP 564 5.511 -3.091 -4.836 317 HE1 TRP 564 1HE TRP 564 4.559 -4.086 -7.011 318 HE3 TRP 564 3HE TRP 564 1.733 -5.908 -2.855 319 HZ2 TRP 564 2HZ TRP 564 2.480 -5.833 -7.784 320 HZ3 TRP 564 3HZ TRP 564 0.308 -7.211 -4.381 321 HH2 TRP 564 HH TRP 564 0.676 -7.173 -6.794 322 H GLU 565 H GLU 565 6.071 -1.761 -3.530 323 HA GLU 565 HA GLU 565 6.258 0.109 -1.260 324 HB2 GLU 565 1HB GLU 565 8.362 -0.566 -2.811 325 HB3 GLU 565 2HB GLU 565 7.717 0.775 -3.748 326 HG2 GLU 565 1HG GLU 565 8.126 1.117 -0.819 327 HG3 GLU 565 2HG GLU 565 9.518 1.172 -1.899 328 H GLY 566 H GLY 566 4.569 1.433 -1.277 329 HA2 GLY 566 1HA GLY 566 3.918 2.920 -3.669 330 HA3 GLY 566 2HA GLY 566 2.658 1.806 -3.157 331 H SER 567 H SER 567 1.255 3.588 -2.814 332 HA SER 567 HA SER 567 1.809 5.010 -0.296 333 HB2 SER 567 1HB SER 567 2.063 6.593 -2.138 334 HB3 SER 567 2HB SER 567 0.478 6.146 -2.768 335 HG SER 567 HG SER 567 0.807 7.145 -0.146 336 H ALA 568 H ALA 568 0.047 5.381 1.059 337 HA ALA 568 HA ALA 568 -2.620 4.640 0.321 338 HB1 ALA 568 1HB ALA 568 -1.486 2.912 2.479 339 HB2 ALA 568 2HB ALA 568 -2.905 2.654 1.463 340 HB3 ALA 568 3HB ALA 568 -1.289 2.453 0.787 341 H ARG 569 H ARG 569 -4.095 5.565 1.649 342 HA ARG 569 HA ARG 569 -4.963 6.856 3.308 343 HB2 ARG 569 1HB ARG 569 -3.848 4.890 4.644 344 HB3 ARG 569 2HB ARG 569 -2.702 6.132 5.132 345 HG2 ARG 569 1HG ARG 569 -4.295 6.094 6.834 346 HG3 ARG 569 2HG ARG 569 -4.736 7.490 5.848 347 HD2 ARG 569 1HD ARG 569 -6.290 5.836 4.615 348 HD3 ARG 569 2HD ARG 569 -6.065 4.811 6.033 349 HE ARG 569 HE ARG 569 -6.782 7.273 7.016 350 HH11 ARG 569 1HH1 ARG 569 -8.173 4.930 4.850 351 HH12 ARG 569 2HH1 ARG 569 -9.809 5.344 5.244 352 HH21 ARG 569 1HH2 ARG 569 -8.931 7.827 7.543 353 HH22 ARG 569 2HH2 ARG 569 -10.239 6.993 6.775 354 H GLY 570 H GLY 570 -2.709 7.775 1.512 355 HA2 GLY 570 1HA GLY 570 -1.887 9.923 1.153 356 HA3 GLY 570 2HA GLY 570 -2.367 10.351 2.789 357 H HIS 571 H HIS 571 -0.539 7.478 2.496 358 HA HIS 571 HA HIS 571 1.936 8.914 3.182 359 HB2 HIS 571 1HB HIS 571 0.716 6.542 4.594 360 HB3 HIS 571 2HB HIS 571 2.410 6.986 4.776 361 HD1 HIS 571 1HD HIS 571 2.306 9.954 5.165 362 HD2 HIS 571 2HD HIS 571 -0.477 7.381 6.866 363 HE1 HIS 571 1HE HIS 571 1.350 11.201 7.129 364 H ILE 572 H ILE 572 3.723 8.230 2.157 365 HA ILE 572 HA ILE 572 3.446 5.923 0.364 366 HB ILE 572 HB ILE 572 5.582 8.055 0.303 367 HG12 ILE 572 1HG1 ILE 572 4.108 8.629 -1.848 368 HG13 ILE 572 2HG1 ILE 572 2.832 7.958 -0.838 369 HG21 ILE 572 1HG2 ILE 572 5.195 5.576 -1.094 370 HG22 ILE 572 2HG2 ILE 572 5.166 6.928 -2.224 371 HG23 ILE 572 3HG2 ILE 572 6.554 6.699 -1.161 372 HD11 ILE 572 1HD1 ILE 572 3.642 10.553 -0.838 373 HD12 ILE 572 2HD1 ILE 572 2.775 9.759 0.476 374 HD13 ILE 572 3HD1 ILE 572 4.533 9.894 0.534 375 H GLY 573 H GLY 573 4.435 4.081 0.846 376 HA2 GLY 573 1HA GLY 573 7.083 3.953 1.878 377 HA3 GLY 573 2HA GLY 573 5.911 3.610 3.142 378 H TRP 574 H TRP 574 6.867 1.493 3.261 379 HA TRP 574 HA TRP 574 6.293 -0.264 0.986 380 HB2 TRP 574 1HB TRP 574 8.207 -0.331 3.249 381 HB3 TRP 574 2HB TRP 574 7.560 -1.885 2.728 382 HD1 TRP 574 HD TRP 574 8.077 -2.600 0.137 383 HE1 TRP 574 1HE TRP 574 10.065 -1.997 -1.382 384 HE3 TRP 574 3HE TRP 574 9.857 1.450 2.699 385 HZ2 TRP 574 2HZ TRP 574 12.118 -0.061 -1.481 386 HZ3 TRP 574 3HZ TRP 574 11.838 2.621 1.826 387 HH2 TRP 574 HH TRP 574 12.943 1.879 -0.220 388 H PHE 575 H PHE 575 5.394 -2.426 1.472 389 HA PHE 575 HA PHE 575 3.998 -2.929 3.887 390 HB2 PHE 575 1HB PHE 575 1.698 -2.698 3.069 391 HB3 PHE 575 2HB PHE 575 2.533 -1.148 3.045 392 HD1 PHE 575 1HD PHE 575 1.383 -3.951 0.934 393 HD2 PHE 575 2HD PHE 575 2.810 0.057 1.043 394 HE1 PHE 575 1HE PHE 575 0.805 -3.684 -1.443 395 HE2 PHE 575 2HE PHE 575 2.234 0.331 -1.333 396 HZ PHE 575 HZ PHE 575 1.229 -1.540 -2.579 397 HA PRO 576 HA PRO 576 4.048 -6.993 2.231 398 HB2 PRO 576 1HB PRO 576 1.960 -8.121 3.550 399 HB3 PRO 576 2HB PRO 576 3.492 -7.727 4.336 400 HG2 PRO 576 1HG PRO 576 0.918 -6.200 4.333 401 HG3 PRO 576 2HG PRO 576 2.026 -6.521 5.678 402 HD2 PRO 576 1HD PRO 576 1.987 -4.158 4.356 403 HD3 PRO 576 2HD PRO 576 3.471 -4.836 5.057 404 H ALA 577 H ALA 577 3.381 -7.814 0.351 405 HA ALA 577 HA ALA 577 1.226 -6.730 -1.109 406 HB1 ALA 577 1HB ALA 577 2.570 -9.374 -1.634 407 HB2 ALA 577 2HB ALA 577 1.746 -8.331 -2.793 408 HB3 ALA 577 3HB ALA 577 3.269 -7.815 -2.071 409 H GLU 578 H GLU 578 1.468 -9.428 1.078 410 HA GLU 578 HA GLU 578 -0.852 -10.826 0.290 411 HB2 GLU 578 1HB GLU 578 -0.756 -11.778 2.618 412 HB3 GLU 578 2HB GLU 578 0.722 -11.950 1.682 413 HG2 GLU 578 1HG GLU 578 1.839 -10.320 2.918 414 HG3 GLU 578 2HG GLU 578 0.342 -9.665 3.578 415 H CYS 579 H CYS 579 -0.463 -7.824 1.804 416 HA CYS 579 HA CYS 579 -3.030 -7.896 3.170 417 HB2 CYS 579 1HB CYS 579 -0.675 -6.111 3.158 418 HB3 CYS 579 2HB CYS 579 -2.228 -5.313 3.377 419 HG CYS 579 HG CYS 579 -2.723 -6.125 5.805 420 H VAL 580 H VAL 580 -1.793 -7.095 0.114 421 HA VAL 580 HA VAL 580 -4.153 -5.442 -0.499 422 HB VAL 580 HB VAL 580 -2.814 -4.824 -2.587 423 HG11 VAL 580 1HG1 VAL 580 -1.473 -3.874 -0.085 424 HG12 VAL 580 2HG1 VAL 580 -1.912 -2.964 -1.531 425 HG13 VAL 580 3HG1 VAL 580 -3.162 -3.484 -0.400 426 HG21 VAL 580 1HG2 VAL 580 -0.375 -5.016 -2.380 427 HG22 VAL 580 2HG2 VAL 580 -0.580 -5.970 -0.912 428 HG23 VAL 580 3HG2 VAL 580 -1.153 -6.597 -2.457 429 H GLU 581 H GLU 581 -5.104 -5.734 -2.651 430 HA GLU 581 HA GLU 581 -4.601 -8.270 -3.974 431 HB2 GLU 581 1HB GLU 581 -6.161 -8.990 -2.295 432 HB3 GLU 581 2HB GLU 581 -7.225 -7.630 -2.624 433 HG2 GLU 581 1HG GLU 581 -7.684 -8.531 -4.850 434 HG3 GLU 581 2HG GLU 581 -6.632 -9.903 -4.505 435 H GLU 582 H GLU 582 -5.369 -8.354 -6.087 436 HA GLU 582 HA GLU 582 -5.705 -5.837 -7.368 437 HB2 GLU 582 1HB GLU 582 -5.781 -8.690 -8.307 438 HB3 GLU 582 2HB GLU 582 -6.208 -7.375 -9.393 439 HG2 GLU 582 1HG GLU 582 -3.894 -6.416 -8.526 440 HG3 GLU 582 2HG GLU 582 -3.577 -8.129 -8.263 441 H VAL 583 H VAL 583 -7.496 -4.859 -8.176 442 HA VAL 583 HA VAL 583 -9.974 -5.240 -7.013 443 HB VAL 583 HB VAL 583 -10.904 -3.823 -8.784 444 HG11 VAL 583 1HG1 VAL 583 -8.676 -3.186 -7.104 445 HG12 VAL 583 2HG1 VAL 583 -8.602 -2.220 -8.580 446 HG13 VAL 583 3HG1 VAL 583 -10.047 -2.176 -7.567 447 HG21 VAL 583 1HG2 VAL 583 -8.238 -4.273 -10.112 448 HG22 VAL 583 2HG2 VAL 583 -9.831 -4.712 -10.729 449 HG23 VAL 583 3HG2 VAL 583 -9.377 -3.014 -10.586 450 H GLN 584 H GLN 584 -11.985 -6.008 -7.864 451 HA GLN 584 HA GLN 584 -11.714 -8.055 -9.959 452 HB2 GLN 584 1HB GLN 584 -13.110 -8.289 -7.297 453 HB3 GLN 584 2HB GLN 584 -13.419 -9.389 -8.632 454 HG2 GLN 584 1HG GLN 584 -10.937 -9.868 -8.637 455 HG3 GLN 584 2HG GLN 584 -10.866 -9.003 -7.103 456 HE21 GLN 584 1HE2 GLN 584 -11.611 -12.815 -6.992 457 HE22 GLN 584 2HE2 GLN 584 -10.728 -11.943 -8.192 458 H SER 585 H SER 585 -12.918 -7.467 -11.630 459 HA SER 585 HA SER 585 -14.851 -5.492 -11.677 460 HB2 SER 585 1HB SER 585 -13.692 -6.604 -13.655 461 HB3 SER 585 2HB SER 585 -14.895 -7.885 -13.518 462 HG SER 585 HG SER 585 -15.322 -5.143 -14.080 Start of MODEL 7 1 H1 MET 525 H MET 525 7.209 -9.171 -15.940 2 HA MET 525 HA MET 525 4.547 -8.010 -15.470 3 HB2 MET 525 1HB MET 525 4.797 -8.816 -13.077 4 HB3 MET 525 2HB MET 525 4.477 -10.057 -14.281 5 HG2 MET 525 1HG MET 525 6.864 -10.614 -14.322 6 HG3 MET 525 2HG MET 525 7.157 -9.395 -13.085 7 HE1 MET 525 1HE MET 525 7.482 -10.438 -10.489 8 HE2 MET 525 2HE MET 525 6.160 -9.337 -10.877 9 HE3 MET 525 3HE MET 525 5.856 -10.766 -9.887 10 H VAL 526 H VAL 526 4.486 -6.114 -14.338 11 HA VAL 526 HA VAL 526 6.900 -5.110 -13.060 12 HB VAL 526 HB VAL 526 6.595 -2.892 -14.309 13 HG11 VAL 526 1HG1 VAL 526 7.569 -4.998 -16.178 14 HG12 VAL 526 2HG1 VAL 526 8.297 -3.450 -15.741 15 HG13 VAL 526 3HG1 VAL 526 8.368 -4.808 -14.616 16 HG21 VAL 526 1HG2 VAL 526 4.400 -3.941 -15.349 17 HG22 VAL 526 2HG2 VAL 526 5.378 -2.774 -16.239 18 HG23 VAL 526 3HG2 VAL 526 5.539 -4.497 -16.577 19 HA PRO 527 HA PRO 527 4.062 -3.225 -10.292 20 HB2 PRO 527 1HB PRO 527 5.438 -1.011 -9.532 21 HB3 PRO 527 2HB PRO 527 5.877 -2.641 -9.008 22 HG2 PRO 527 1HG PRO 527 7.053 -0.972 -11.198 23 HG3 PRO 527 2HG PRO 527 7.877 -1.977 -9.992 24 HD2 PRO 527 1HD PRO 527 7.464 -2.802 -12.538 25 HD3 PRO 527 2HD PRO 527 7.487 -3.923 -11.163 26 H GLY 528 H GLY 528 3.357 -0.760 -9.715 27 HA2 GLY 528 1HA GLY 528 2.471 1.260 -10.484 28 HA3 GLY 528 2HA GLY 528 2.982 0.839 -12.112 29 H ARG 529 H ARG 529 0.639 -0.131 -9.616 30 HA ARG 529 HA ARG 529 -1.458 -0.159 -11.623 31 HB2 ARG 529 1HB ARG 529 -0.405 -2.607 -10.287 32 HB3 ARG 529 2HB ARG 529 -2.142 -2.485 -10.537 33 HG2 ARG 529 1HG ARG 529 -0.081 -2.208 -12.714 34 HG3 ARG 529 2HG ARG 529 -0.956 -3.695 -12.337 35 HD2 ARG 529 1HD ARG 529 -3.077 -2.273 -12.652 36 HD3 ARG 529 2HD ARG 529 -2.011 -1.116 -13.448 37 HE ARG 529 HE ARG 529 -1.544 -3.598 -14.606 38 HH11 ARG 529 1HH1 ARG 529 -4.158 -1.318 -14.309 39 HH12 ARG 529 2HH1 ARG 529 -4.890 -1.762 -15.816 40 HH21 ARG 529 1HH2 ARG 529 -2.498 -4.191 -16.591 41 HH22 ARG 529 2HH2 ARG 529 -3.944 -3.396 -17.113 42 H LEU 530 H LEU 530 -3.580 -1.005 -10.400 43 HA LEU 530 HA LEU 530 -3.716 0.596 -7.940 44 HB2 LEU 530 1HB LEU 530 -5.678 -0.079 -10.082 45 HB3 LEU 530 2HB LEU 530 -6.267 0.301 -8.466 46 HG LEU 530 HG LEU 530 -6.333 2.237 -9.979 47 HD11 LEU 530 1HD1 LEU 530 -4.207 2.867 -7.991 48 HD12 LEU 530 2HD1 LEU 530 -5.768 2.279 -7.421 49 HD13 LEU 530 3HD1 LEU 530 -5.680 3.751 -8.388 50 HD21 LEU 530 1HD2 LEU 530 -4.042 1.344 -11.036 51 HD22 LEU 530 2HD2 LEU 530 -3.393 2.541 -9.914 52 HD23 LEU 530 3HD2 LEU 530 -4.561 3.026 -11.144 53 H PHE 531 H PHE 531 -3.754 -0.483 -6.093 54 HA PHE 531 HA PHE 531 -5.016 -3.145 -6.045 55 HB2 PHE 531 1HB PHE 531 -2.513 -2.153 -4.708 56 HB3 PHE 531 2HB PHE 531 -3.401 -3.526 -4.057 57 HD1 PHE 531 1HD PHE 531 -3.152 -5.664 -4.973 58 HD2 PHE 531 2HD PHE 531 -1.657 -2.278 -7.074 59 HE1 PHE 531 1HE PHE 531 -2.000 -7.157 -6.553 60 HE2 PHE 531 2HE PHE 531 -0.504 -3.766 -8.659 61 HZ PHE 531 HZ PHE 531 -0.675 -6.209 -8.400 62 H VAL 532 H VAL 532 -5.925 -3.780 -3.955 63 HA VAL 532 HA VAL 532 -6.757 -1.479 -2.314 64 HB VAL 532 HB VAL 532 -8.667 -1.961 -3.643 65 HG11 VAL 532 1HG1 VAL 532 -9.479 -4.546 -3.174 66 HG12 VAL 532 2HG1 VAL 532 -8.711 -3.956 -4.649 67 HG13 VAL 532 3HG1 VAL 532 -7.736 -4.710 -3.387 68 HG21 VAL 532 1HG2 VAL 532 -9.303 -3.514 -1.169 69 HG22 VAL 532 2HG2 VAL 532 -8.854 -1.812 -1.052 70 HG23 VAL 532 3HG2 VAL 532 -10.263 -2.290 -2.000 71 H ALA 533 H ALA 533 -6.280 -1.733 -0.240 72 HA ALA 533 HA ALA 533 -5.133 -4.095 0.794 73 HB1 ALA 533 1HB ALA 533 -6.100 -1.549 2.046 74 HB2 ALA 533 2HB ALA 533 -5.502 -2.884 3.032 75 HB3 ALA 533 3HB ALA 533 -4.447 -2.127 1.838 76 H ILE 534 H ILE 534 -6.054 -5.883 1.544 77 HA ILE 534 HA ILE 534 -8.923 -5.813 2.194 78 HB ILE 534 HB ILE 534 -8.861 -8.283 1.829 79 HG12 ILE 534 1HG1 ILE 534 -6.287 -7.964 0.356 80 HG13 ILE 534 2HG1 ILE 534 -6.221 -8.165 2.103 81 HG21 ILE 534 1HG2 ILE 534 -9.749 -7.501 -0.066 82 HG22 ILE 534 2HG2 ILE 534 -8.575 -6.191 -0.178 83 HG23 ILE 534 3HG2 ILE 534 -8.164 -7.797 -0.780 84 HD11 ILE 534 1HD1 ILE 534 -7.600 -10.057 0.214 85 HD12 ILE 534 2HD1 ILE 534 -5.974 -10.276 0.861 86 HD13 ILE 534 3HD1 ILE 534 -7.362 -10.273 1.949 87 H LYS 535 H LYS 535 -5.809 -6.260 3.498 88 HA LYS 535 HA LYS 535 -6.993 -7.245 6.008 89 HB2 LYS 535 1HB LYS 535 -4.321 -8.004 4.815 90 HB3 LYS 535 2HB LYS 535 -4.835 -8.420 6.445 91 HG2 LYS 535 1HG LYS 535 -6.421 -9.223 4.029 92 HG3 LYS 535 2HG LYS 535 -5.083 -10.198 4.645 93 HD2 LYS 535 1HD LYS 535 -6.404 -9.862 6.928 94 HD3 LYS 535 2HD LYS 535 -7.763 -9.680 5.817 95 HE2 LYS 535 1HE LYS 535 -7.680 -11.850 5.146 96 HE3 LYS 535 2HE LYS 535 -5.930 -11.956 5.339 97 HZ1 LYS 535 1HZ LYS 535 -6.129 -12.681 7.430 98 HZ2 LYS 535 2HZ LYS 535 -7.722 -13.061 7.008 99 HZ3 LYS 535 3HZ LYS 535 -7.383 -11.609 7.809 100 HA PRO 536 HA PRO 536 -5.264 -3.499 7.622 101 HB2 PRO 536 1HB PRO 536 -5.710 -4.035 10.246 102 HB3 PRO 536 2HB PRO 536 -6.994 -3.544 9.134 103 HG2 PRO 536 1HG PRO 536 -6.260 -6.285 10.089 104 HG3 PRO 536 2HG PRO 536 -7.867 -5.559 9.896 105 HD2 PRO 536 1HD PRO 536 -6.812 -7.266 8.078 106 HD3 PRO 536 2HD PRO 536 -7.908 -5.944 7.625 107 H TYR 537 H TYR 537 -3.347 -2.828 8.506 108 HA TYR 537 HA TYR 537 -1.683 -4.578 10.062 109 HB2 TYR 537 1HB TYR 537 -1.443 -4.855 7.325 110 HB3 TYR 537 2HB TYR 537 -0.154 -3.722 7.719 111 HD1 TYR 537 1HD TYR 537 -1.557 -7.009 8.790 112 HD2 TYR 537 2HD TYR 537 1.889 -4.536 8.463 113 HE1 TYR 537 1HE TYR 537 -0.149 -8.882 9.537 114 HE2 TYR 537 2HE TYR 537 3.307 -6.402 9.208 115 HH TYR 537 HH TYR 537 3.357 -8.492 9.953 116 H GLN 538 H GLN 538 0.188 -3.519 10.908 117 HA GLN 538 HA GLN 538 0.088 -0.586 10.643 118 HB2 GLN 538 1HB GLN 538 0.449 -2.337 13.051 119 HB3 GLN 538 2HB GLN 538 1.112 -0.707 13.037 120 HG2 GLN 538 1HG GLN 538 -1.773 -1.502 12.739 121 HG3 GLN 538 2HG GLN 538 -1.026 -0.662 14.098 122 HE21 GLN 538 1HE2 GLN 538 -0.938 2.484 12.515 123 HE22 GLN 538 2HE2 GLN 538 -0.193 1.484 13.710 124 HA PRO 539 HA PRO 539 4.336 -0.533 9.553 125 HB2 PRO 539 1HB PRO 539 5.214 1.712 10.801 126 HB3 PRO 539 2HB PRO 539 4.159 1.751 9.384 127 HG2 PRO 539 1HG PRO 539 3.454 2.041 12.278 128 HG3 PRO 539 2HG PRO 539 2.866 2.968 10.885 129 HD2 PRO 539 1HD PRO 539 1.430 0.971 12.019 130 HD3 PRO 539 2HD PRO 539 1.349 1.340 10.284 131 H GLN 540 H GLN 540 5.999 -1.711 10.250 132 HA GLN 540 HA GLN 540 6.773 -1.561 13.077 133 HB2 GLN 540 1HB GLN 540 5.425 -3.728 12.023 134 HB3 GLN 540 2HB GLN 540 7.108 -4.226 11.926 135 HG2 GLN 540 1HG GLN 540 6.990 -4.815 14.051 136 HG3 GLN 540 2HG GLN 540 6.820 -3.111 14.464 137 HE21 GLN 540 1HE2 GLN 540 3.231 -3.321 14.703 138 HE22 GLN 540 2HE2 GLN 540 4.463 -2.321 14.017 139 H VAL 541 H VAL 541 7.709 -0.902 10.115 140 HA VAL 541 HA VAL 541 10.524 -1.386 10.720 141 HB VAL 541 HB VAL 541 9.416 -2.046 7.994 142 HG11 VAL 541 1HG1 VAL 541 11.607 -1.676 7.563 143 HG12 VAL 541 2HG1 VAL 541 12.099 -1.973 9.232 144 HG13 VAL 541 3HG1 VAL 541 11.761 -3.330 8.157 145 HG21 VAL 541 1HG2 VAL 541 8.516 -3.672 9.515 146 HG22 VAL 541 2HG2 VAL 541 9.833 -4.420 8.611 147 HG23 VAL 541 3HG2 VAL 541 10.092 -3.898 10.275 148 H ASP 542 H ASP 542 11.969 0.015 9.616 149 HA ASP 542 HA ASP 542 11.076 2.640 9.306 150 HB2 ASP 542 1HB ASP 542 13.474 1.699 9.691 151 HB3 ASP 542 2HB ASP 542 13.557 1.654 7.932 152 H GLY 543 H GLY 543 9.706 3.339 7.802 153 HA2 GLY 543 1HA GLY 543 9.485 4.075 5.505 154 HA3 GLY 543 2HA GLY 543 10.219 2.558 5.005 155 H GLU 544 H GLU 544 8.663 0.901 6.784 156 HA GLU 544 HA GLU 544 6.552 0.203 5.152 157 HB2 GLU 544 1HB GLU 544 7.303 -0.366 7.960 158 HB3 GLU 544 2HB GLU 544 5.630 -0.685 7.528 159 HG2 GLU 544 1HG GLU 544 6.636 -1.970 5.527 160 HG3 GLU 544 2HG GLU 544 8.122 -1.951 6.475 161 H ILE 545 H ILE 545 4.212 0.287 5.605 162 HA ILE 545 HA ILE 545 3.352 2.677 7.066 163 HB ILE 545 HB ILE 545 1.694 2.983 5.047 164 HG12 ILE 545 1HG1 ILE 545 4.120 1.777 3.700 165 HG13 ILE 545 2HG1 ILE 545 2.541 1.007 3.818 166 HG21 ILE 545 1HG2 ILE 545 3.372 4.603 5.929 167 HG22 ILE 545 2HG2 ILE 545 4.547 3.917 4.809 168 HG23 ILE 545 3HG2 ILE 545 3.103 4.716 4.190 169 HD11 ILE 545 1HD1 ILE 545 2.981 3.657 2.475 170 HD12 ILE 545 2HD1 ILE 545 3.056 2.110 1.631 171 HD13 ILE 545 3HD1 ILE 545 1.555 2.622 2.400 172 HA PRO 546 HA PRO 546 -0.027 0.229 8.423 173 HB2 PRO 546 1HB PRO 546 -2.033 2.054 8.555 174 HB3 PRO 546 2HB PRO 546 -0.684 2.025 9.696 175 HG2 PRO 546 1HG PRO 546 -1.087 3.753 7.286 176 HG3 PRO 546 2HG PRO 546 -0.489 4.199 8.894 177 HD2 PRO 546 1HD PRO 546 1.161 3.793 6.786 178 HD3 PRO 546 2HD PRO 546 1.637 3.423 8.457 179 H LEU 547 H LEU 547 -2.308 -0.407 7.912 180 HA LEU 547 HA LEU 547 -3.176 0.112 5.185 181 HB2 LEU 547 1HB LEU 547 -2.303 -2.578 6.190 182 HB3 LEU 547 2HB LEU 547 -3.448 -2.412 4.861 183 HG LEU 547 HG LEU 547 -0.726 -1.142 4.775 184 HD11 LEU 547 1HD1 LEU 547 -0.776 -3.463 3.175 185 HD12 LEU 547 2HD1 LEU 547 -1.306 -3.934 4.790 186 HD13 LEU 547 3HD1 LEU 547 0.245 -3.122 4.571 187 HD21 LEU 547 1HD2 LEU 547 -2.918 -0.863 3.167 188 HD22 LEU 547 2HD2 LEU 547 -2.011 -2.131 2.341 189 HD23 LEU 547 3HD2 LEU 547 -1.249 -0.575 2.674 190 H HIS 548 H HIS 548 -5.350 -0.527 4.776 191 HA HIS 548 HA HIS 548 -6.903 -1.515 7.040 192 HB2 HIS 548 1HB HIS 548 -6.719 1.172 6.729 193 HB3 HIS 548 2HB HIS 548 -8.106 0.830 5.698 194 HD1 HIS 548 1HD HIS 548 -7.169 -0.614 9.095 195 HD2 HIS 548 2HD HIS 548 -10.258 1.433 7.217 196 HE1 HIS 548 1HE HIS 548 -8.995 -0.430 10.813 197 H ARG 549 H ARG 549 -8.962 -2.339 6.466 198 HA ARG 549 HA ARG 549 -9.048 -3.508 3.872 199 HB2 ARG 549 1HB ARG 549 -11.292 -3.410 5.888 200 HB3 ARG 549 2HB ARG 549 -11.063 -4.585 4.601 201 HG2 ARG 549 1HG ARG 549 -9.091 -5.457 5.715 202 HG3 ARG 549 2HG ARG 549 -9.259 -4.245 6.986 203 HD2 ARG 549 1HD ARG 549 -11.738 -5.415 6.943 204 HD3 ARG 549 2HD ARG 549 -10.669 -6.774 6.599 205 HE ARG 549 HE ARG 549 -9.832 -5.162 8.830 206 HH11 ARG 549 1HH1 ARG 549 -11.798 -7.843 7.800 207 HH12 ARG 549 2HH1 ARG 549 -11.825 -8.592 9.362 208 HH21 ARG 549 1HH2 ARG 549 -9.860 -6.138 10.892 209 HH22 ARG 549 2HH2 ARG 549 -10.724 -7.621 11.120 210 H GLY 550 H GLY 550 -9.689 -2.535 2.072 211 HA2 GLY 550 1HA GLY 550 -11.464 -1.564 0.779 212 HA3 GLY 550 2HA GLY 550 -11.977 -0.688 2.214 213 H ASP 551 H ASP 551 -8.667 -0.571 2.063 214 HA ASP 551 HA ASP 551 -8.739 2.186 1.156 215 HB2 ASP 551 1HB ASP 551 -7.070 0.610 2.907 216 HB3 ASP 551 2HB ASP 551 -6.083 1.460 1.721 217 H ARG 552 H ARG 552 -7.811 2.978 -0.670 218 HA ARG 552 HA ARG 552 -7.070 1.024 -2.697 219 HB2 ARG 552 1HB ARG 552 -7.476 4.014 -2.913 220 HB3 ARG 552 2HB ARG 552 -7.207 2.917 -4.262 221 HG2 ARG 552 1HG ARG 552 -9.542 2.691 -2.380 222 HG3 ARG 552 2HG ARG 552 -9.584 3.596 -3.894 223 HD2 ARG 552 1HD ARG 552 -8.762 0.711 -3.792 224 HD3 ARG 552 2HD ARG 552 -10.453 1.189 -3.917 225 HE ARG 552 HE ARG 552 -8.464 1.304 -5.986 226 HH11 ARG 552 1HH1 ARG 552 -11.475 2.619 -4.836 227 HH12 ARG 552 2HH1 ARG 552 -11.996 3.141 -6.404 228 HH21 ARG 552 1HH2 ARG 552 -9.138 1.987 -8.054 229 HH22 ARG 552 2HH2 ARG 552 -10.666 2.779 -8.234 230 H VAL 553 H VAL 553 -5.002 0.374 -2.408 231 HA VAL 553 HA VAL 553 -2.919 2.315 -1.813 232 HB VAL 553 HB VAL 553 -2.787 -0.682 -2.171 233 HG11 VAL 553 1HG1 VAL 553 -0.602 -0.376 -2.496 234 HG12 VAL 553 2HG1 VAL 553 -0.702 1.338 -2.087 235 HG13 VAL 553 3HG1 VAL 553 -0.524 0.133 -0.810 236 HG21 VAL 553 1HG2 VAL 553 -2.074 0.343 0.427 237 HG22 VAL 553 2HG2 VAL 553 -3.699 0.858 -0.027 238 HG23 VAL 553 3HG2 VAL 553 -3.290 -0.858 -0.010 239 H LYS 554 H LYS 554 -1.458 3.078 -3.229 240 HA LYS 554 HA LYS 554 -1.703 2.191 -6.021 241 HB2 LYS 554 1HB LYS 554 -2.175 4.566 -5.614 242 HB3 LYS 554 2HB LYS 554 -0.582 4.765 -4.895 243 HG2 LYS 554 1HG LYS 554 -0.436 5.610 -7.089 244 HG3 LYS 554 2HG LYS 554 0.383 4.047 -7.106 245 HD2 LYS 554 1HD LYS 554 -2.097 3.258 -7.759 246 HD3 LYS 554 2HD LYS 554 -2.131 4.896 -8.416 247 HE2 LYS 554 1HE LYS 554 -0.185 2.692 -9.075 248 HE3 LYS 554 2HE LYS 554 -1.392 3.410 -10.141 249 HZ1 LYS 554 1HZ LYS 554 0.467 4.525 -10.797 250 HZ2 LYS 554 2HZ LYS 554 1.191 4.482 -9.269 251 HZ3 LYS 554 3HZ LYS 554 -0.061 5.576 -9.580 252 H VAL 555 H VAL 555 -0.237 0.664 -6.452 253 HA VAL 555 HA VAL 555 2.278 0.458 -5.135 254 HB VAL 555 HB VAL 555 1.322 -0.875 -7.673 255 HG11 VAL 555 1HG1 VAL 555 3.758 -0.870 -7.503 256 HG12 VAL 555 2HG1 VAL 555 3.651 -1.561 -5.882 257 HG13 VAL 555 3HG1 VAL 555 3.106 -2.493 -7.278 258 HG21 VAL 555 1HG2 VAL 555 1.258 -1.727 -4.785 259 HG22 VAL 555 2HG2 VAL 555 -0.112 -1.487 -5.868 260 HG23 VAL 555 3HG2 VAL 555 0.996 -2.832 -6.136 261 H LEU 556 H LEU 556 4.331 0.934 -5.860 262 HA LEU 556 HA LEU 556 4.530 2.497 -8.346 263 HB2 LEU 556 1HB LEU 556 6.089 3.128 -5.855 264 HB3 LEU 556 2HB LEU 556 5.948 4.094 -7.322 265 HG LEU 556 HG LEU 556 3.570 3.560 -5.570 266 HD11 LEU 556 1HD1 LEU 556 5.482 4.557 -4.260 267 HD12 LEU 556 2HD1 LEU 556 3.997 5.506 -4.302 268 HD13 LEU 556 3HD1 LEU 556 5.363 5.960 -5.322 269 HD21 LEU 556 1HD2 LEU 556 3.684 4.614 -8.023 270 HD22 LEU 556 2HD2 LEU 556 3.989 6.071 -7.076 271 HD23 LEU 556 3HD2 LEU 556 2.517 5.136 -6.808 272 H SER 557 H SER 557 6.292 0.651 -5.884 273 HA SER 557 HA SER 557 7.958 -0.486 -7.996 274 HB2 SER 557 1HB SER 557 9.487 1.149 -7.370 275 HB3 SER 557 2HB SER 557 8.958 1.146 -5.688 276 HG SER 557 HG SER 557 11.023 0.121 -6.072 277 H ILE 558 H ILE 558 8.756 -2.534 -7.542 278 HA ILE 558 HA ILE 558 7.241 -4.090 -5.729 279 HB ILE 558 HB ILE 558 9.796 -4.821 -7.163 280 HG12 ILE 558 1HG1 ILE 558 7.918 -4.111 -8.643 281 HG13 ILE 558 2HG1 ILE 558 8.380 -5.795 -8.863 282 HG21 ILE 558 1HG2 ILE 558 9.677 -6.543 -5.701 283 HG22 ILE 558 2HG2 ILE 558 7.952 -6.319 -5.410 284 HG23 ILE 558 3HG2 ILE 558 8.500 -7.146 -6.869 285 HD11 ILE 558 1HD1 ILE 558 6.346 -6.502 -8.342 286 HD12 ILE 558 2HD1 ILE 558 6.292 -5.506 -6.887 287 HD13 ILE 558 3HD1 ILE 558 5.833 -4.819 -8.446 288 H GLY 559 H GLY 559 7.794 -5.070 -3.797 289 HA2 GLY 559 1HA GLY 559 9.887 -3.701 -2.297 290 HA3 GLY 559 2HA GLY 559 8.642 -4.750 -1.631 291 H GLU 560 H GLU 560 10.178 -5.876 -0.390 292 HA GLU 560 HA GLU 560 11.780 -7.778 -1.963 293 HB2 GLU 560 1HB GLU 560 12.610 -6.165 0.431 294 HB3 GLU 560 2HB GLU 560 13.389 -7.697 0.062 295 HG2 GLU 560 1HG GLU 560 13.190 -5.470 -1.939 296 HG3 GLU 560 2HG GLU 560 14.519 -5.600 -0.787 297 H GLY 561 H GLY 561 11.179 -9.802 -1.588 298 HA2 GLY 561 1HA GLY 561 10.532 -11.698 -0.448 299 HA3 GLY 561 2HA GLY 561 10.744 -10.808 1.053 300 H GLY 562 H GLY 562 8.558 -10.594 -1.766 301 HA2 GLY 562 1HA GLY 562 6.255 -10.675 -1.859 302 HA3 GLY 562 2HA GLY 562 6.255 -11.220 -0.188 303 H PHE 563 H PHE 563 8.005 -8.353 -0.696 304 HA PHE 563 HA PHE 563 5.898 -6.832 0.639 305 HB2 PHE 563 1HB PHE 563 8.805 -6.791 0.644 306 HB3 PHE 563 2HB PHE 563 8.132 -5.184 0.388 307 HD1 PHE 563 1HD PHE 563 8.950 -7.668 2.781 308 HD2 PHE 563 2HD PHE 563 6.327 -4.400 2.040 309 HE1 PHE 563 1HE PHE 563 8.522 -7.469 5.197 310 HE2 PHE 563 2HE PHE 563 5.895 -4.195 4.454 311 HZ PHE 563 HZ PHE 563 6.993 -5.729 6.036 312 H TRP 564 H TRP 564 5.910 -4.401 -0.016 313 HA TRP 564 HA TRP 564 6.270 -3.976 -2.867 314 HB2 TRP 564 1HB TRP 564 3.753 -4.744 -1.839 315 HB3 TRP 564 2HB TRP 564 3.641 -3.023 -2.201 316 HD1 TRP 564 HD TRP 564 5.565 -3.096 -4.806 317 HE1 TRP 564 1HE TRP 564 4.630 -4.100 -6.984 318 HE3 TRP 564 3HE TRP 564 1.781 -5.915 -2.840 319 HZ2 TRP 564 2HZ TRP 564 2.562 -5.855 -7.765 320 HZ3 TRP 564 3HZ TRP 564 0.370 -7.227 -4.371 321 HH2 TRP 564 HH TRP 564 0.754 -7.196 -6.782 322 H GLU 565 H GLU 565 5.950 -1.718 -3.491 323 HA GLU 565 HA GLU 565 6.158 0.137 -1.213 324 HB2 GLU 565 1HB GLU 565 8.288 -0.509 -2.740 325 HB3 GLU 565 2HB GLU 565 7.637 0.823 -3.685 326 HG2 GLU 565 1HG GLU 565 7.613 2.119 -1.472 327 HG3 GLU 565 2HG GLU 565 8.679 0.846 -0.880 328 H GLY 566 H GLY 566 4.506 1.503 -1.246 329 HA2 GLY 566 1HA GLY 566 3.866 3.013 -3.598 330 HA3 GLY 566 2HA GLY 566 2.624 1.834 -3.207 331 H SER 567 H SER 567 1.212 3.676 -2.932 332 HA SER 567 HA SER 567 1.620 5.042 -0.352 333 HB2 SER 567 1HB SER 567 -0.295 6.515 -1.715 334 HB3 SER 567 2HB SER 567 1.411 6.932 -1.556 335 HG SER 567 HG SER 567 1.767 5.741 -3.505 336 H ALA 568 H ALA 568 -0.163 5.294 1.027 337 HA ALA 568 HA ALA 568 -2.738 4.226 0.369 338 HB1 ALA 568 1HB ALA 568 -1.289 2.187 0.813 339 HB2 ALA 568 2HB ALA 568 -1.247 2.716 2.496 340 HB3 ALA 568 3HB ALA 568 -2.787 2.313 1.736 341 H ARG 569 H ARG 569 -4.225 5.264 1.540 342 HA ARG 569 HA ARG 569 -5.201 6.557 3.136 343 HB2 ARG 569 1HB ARG 569 -4.279 4.613 4.564 344 HB3 ARG 569 2HB ARG 569 -3.030 5.752 5.052 345 HG2 ARG 569 1HG ARG 569 -4.591 5.963 6.735 346 HG3 ARG 569 2HG ARG 569 -5.010 7.298 5.659 347 HD2 ARG 569 1HD ARG 569 -6.808 6.025 4.695 348 HD3 ARG 569 2HD ARG 569 -6.328 4.587 5.596 349 HE ARG 569 HE ARG 569 -6.863 6.673 7.401 350 HH11 ARG 569 1HH1 ARG 569 -8.504 4.546 5.187 351 HH12 ARG 569 2HH1 ARG 569 -9.993 4.558 6.073 352 HH21 ARG 569 1HH2 ARG 569 -8.818 6.698 8.577 353 HH22 ARG 569 2HH2 ARG 569 -10.171 5.784 8.001 354 H GLY 570 H GLY 570 -2.906 7.516 1.462 355 HA2 GLY 570 1HA GLY 570 -2.077 9.670 1.164 356 HA3 GLY 570 2HA GLY 570 -2.613 10.073 2.789 357 H HIS 571 H HIS 571 -0.753 7.211 2.482 358 HA HIS 571 HA HIS 571 1.681 8.647 3.304 359 HB2 HIS 571 1HB HIS 571 0.691 6.059 4.517 360 HB3 HIS 571 2HB HIS 571 2.143 6.942 4.977 361 HD1 HIS 571 1HD HIS 571 -0.792 6.266 6.496 362 HD2 HIS 571 2HD HIS 571 0.931 9.899 5.449 363 HE1 HIS 571 1HE HIS 571 -1.854 7.974 8.006 364 H ILE 572 H ILE 572 3.467 8.079 2.235 365 HA ILE 572 HA ILE 572 3.302 5.779 0.420 366 HB ILE 572 HB ILE 572 5.349 7.994 0.385 367 HG12 ILE 572 1HG1 ILE 572 3.580 8.218 -1.807 368 HG13 ILE 572 2HG1 ILE 572 2.575 8.044 -0.374 369 HG21 ILE 572 1HG2 ILE 572 5.516 5.590 -0.795 370 HG22 ILE 572 2HG2 ILE 572 4.634 6.473 -2.041 371 HG23 ILE 572 3HG2 ILE 572 6.203 7.059 -1.488 372 HD11 ILE 572 1HD1 ILE 572 4.225 10.281 -1.252 373 HD12 ILE 572 2HD1 ILE 572 2.820 10.250 -0.185 374 HD13 ILE 572 3HD1 ILE 572 4.421 9.869 0.452 375 H GLY 573 H GLY 573 4.423 3.989 0.822 376 HA2 GLY 573 1HA GLY 573 7.055 3.940 1.840 377 HA3 GLY 573 2HA GLY 573 5.929 3.599 3.145 378 H TRP 574 H TRP 574 6.927 1.508 3.291 379 HA TRP 574 HA TRP 574 6.395 -0.314 1.063 380 HB2 TRP 574 1HB TRP 574 8.259 -0.291 3.362 381 HB3 TRP 574 2HB TRP 574 7.625 -1.869 2.904 382 HD1 TRP 574 HD TRP 574 8.093 -2.603 0.266 383 HE1 TRP 574 1HE TRP 574 10.141 -2.103 -1.212 384 HE3 TRP 574 3HE TRP 574 10.043 1.331 2.885 385 HZ2 TRP 574 2HZ TRP 574 12.297 -0.283 -1.260 386 HZ3 TRP 574 3HZ TRP 574 12.101 2.395 2.057 387 HH2 TRP 574 HH TRP 574 13.203 1.603 0.028 388 H PHE 575 H PHE 575 5.423 -2.414 1.499 389 HA PHE 575 HA PHE 575 4.010 -2.930 3.908 390 HB2 PHE 575 1HB PHE 575 1.726 -2.651 3.098 391 HB3 PHE 575 2HB PHE 575 2.584 -1.116 3.032 392 HD1 PHE 575 1HD PHE 575 1.342 -3.935 1.004 393 HD2 PHE 575 2HD PHE 575 2.902 0.025 0.991 394 HE1 PHE 575 1HE PHE 575 0.754 -3.715 -1.375 395 HE2 PHE 575 2HE PHE 575 2.315 0.252 -1.387 396 HZ PHE 575 HZ PHE 575 1.238 -1.619 -2.574 397 HA PRO 576 HA PRO 576 4.044 -6.982 2.220 398 HB2 PRO 576 1HB PRO 576 1.943 -8.105 3.521 399 HB3 PRO 576 2HB PRO 576 3.475 -7.727 4.317 400 HG2 PRO 576 1HG PRO 576 0.911 -6.182 4.315 401 HG3 PRO 576 2HG PRO 576 2.012 -6.522 5.663 402 HD2 PRO 576 1HD PRO 576 1.995 -4.149 4.359 403 HD3 PRO 576 2HD PRO 576 3.471 -4.843 5.060 404 H ALA 577 H ALA 577 3.345 -7.865 0.374 405 HA ALA 577 HA ALA 577 1.223 -6.730 -1.110 406 HB1 ALA 577 1HB ALA 577 1.678 -8.456 -2.752 407 HB2 ALA 577 2HB ALA 577 3.189 -7.773 -2.150 408 HB3 ALA 577 3HB ALA 577 2.643 -9.348 -1.576 409 H GLU 578 H GLU 578 1.427 -9.444 1.067 410 HA GLU 578 HA GLU 578 -0.910 -10.805 0.280 411 HB2 GLU 578 1HB GLU 578 -0.831 -11.782 2.582 412 HB3 GLU 578 2HB GLU 578 0.675 -11.921 1.687 413 HG2 GLU 578 1HG GLU 578 1.779 -10.445 3.035 414 HG3 GLU 578 2HG GLU 578 0.308 -9.585 3.485 415 H CYS 579 H CYS 579 -0.484 -7.809 1.806 416 HA CYS 579 HA CYS 579 -3.061 -7.846 3.154 417 HB2 CYS 579 1HB CYS 579 -0.685 -6.085 3.147 418 HB3 CYS 579 2HB CYS 579 -2.232 -5.278 3.378 419 HG CYS 579 HG CYS 579 -2.924 -6.626 5.669 420 H VAL 580 H VAL 580 -1.767 -7.009 0.117 421 HA VAL 580 HA VAL 580 -4.127 -5.362 -0.513 422 HB VAL 580 HB VAL 580 -2.765 -4.684 -2.556 423 HG11 VAL 580 1HG1 VAL 580 -1.440 -3.820 -0.012 424 HG12 VAL 580 2HG1 VAL 580 -1.845 -2.864 -1.439 425 HG13 VAL 580 3HG1 VAL 580 -3.120 -3.401 -0.345 426 HG21 VAL 580 1HG2 VAL 580 -0.444 -5.679 -0.917 427 HG22 VAL 580 2HG2 VAL 580 -1.129 -6.580 -2.269 428 HG23 VAL 580 3HG2 VAL 580 -0.410 -4.993 -2.542 429 H GLU 581 H GLU 581 -5.284 -5.760 -2.427 430 HA GLU 581 HA GLU 581 -4.684 -8.272 -3.821 431 HB2 GLU 581 1HB GLU 581 -6.356 -8.833 -2.151 432 HB3 GLU 581 2HB GLU 581 -7.370 -7.496 -2.674 433 HG2 GLU 581 1HG GLU 581 -7.899 -8.549 -4.705 434 HG3 GLU 581 2HG GLU 581 -6.607 -9.733 -4.519 435 H GLU 582 H GLU 582 -5.457 -8.403 -5.954 436 HA GLU 582 HA GLU 582 -5.638 -5.875 -7.289 437 HB2 GLU 582 1HB GLU 582 -5.635 -8.738 -8.183 438 HB3 GLU 582 2HB GLU 582 -6.047 -7.459 -9.315 439 HG2 GLU 582 1HG GLU 582 -3.805 -6.408 -8.439 440 HG3 GLU 582 2HG GLU 582 -3.448 -8.082 -8.017 441 H VAL 583 H VAL 583 -7.385 -4.846 -8.069 442 HA VAL 583 HA VAL 583 -9.927 -5.285 -7.095 443 HB VAL 583 HB VAL 583 -10.753 -3.759 -8.789 444 HG11 VAL 583 1HG1 VAL 583 -9.045 -3.106 -6.871 445 HG12 VAL 583 2HG1 VAL 583 -8.056 -2.636 -8.256 446 HG13 VAL 583 3HG1 VAL 583 -9.651 -1.917 -8.023 447 HG21 VAL 583 1HG2 VAL 583 -9.670 -4.658 -10.748 448 HG22 VAL 583 2HG2 VAL 583 -9.256 -2.951 -10.588 449 HG23 VAL 583 3HG2 VAL 583 -8.086 -4.190 -10.131 450 H GLN 584 H GLN 584 -11.852 -6.106 -8.005 451 HA GLN 584 HA GLN 584 -11.408 -8.162 -10.066 452 HB2 GLN 584 1HB GLN 584 -13.477 -8.129 -7.862 453 HB3 GLN 584 2HB GLN 584 -13.264 -9.404 -9.054 454 HG2 GLN 584 1HG GLN 584 -12.148 -10.306 -7.289 455 HG3 GLN 584 2HG GLN 584 -10.827 -9.462 -8.093 456 HE21 GLN 584 1HE2 GLN 584 -10.453 -8.610 -4.597 457 HE22 GLN 584 2HE2 GLN 584 -10.245 -9.962 -5.651 458 H SER 585 H SER 585 -12.485 -7.978 -11.918 459 HA SER 585 HA SER 585 -14.806 -6.163 -12.006 460 HB2 SER 585 1HB SER 585 -13.477 -6.511 -14.570 461 HB3 SER 585 2HB SER 585 -13.899 -5.026 -13.718 462 HG SER 585 HG SER 585 -11.988 -5.145 -12.590 Start of MODEL 8 1 H1 MET 525 H MET 525 1.519 -10.818 -14.428 2 HA MET 525 HA MET 525 1.980 -10.289 -12.072 3 HB2 MET 525 1HB MET 525 3.869 -11.752 -11.700 4 HB3 MET 525 2HB MET 525 2.872 -12.415 -12.989 5 HG2 MET 525 1HG MET 525 4.444 -11.432 -14.636 6 HG3 MET 525 2HG MET 525 5.472 -10.936 -13.294 7 HE1 MET 525 1HE MET 525 7.863 -13.674 -13.295 8 HE2 MET 525 2HE MET 525 7.508 -11.961 -13.520 9 HE3 MET 525 3HE MET 525 7.156 -12.740 -11.977 10 H VAL 526 H VAL 526 2.668 -7.931 -13.734 11 HA VAL 526 HA VAL 526 5.024 -7.025 -12.211 12 HB VAL 526 HB VAL 526 5.303 -5.347 -14.128 13 HG11 VAL 526 1HG1 VAL 526 5.834 -8.105 -15.112 14 HG12 VAL 526 2HG1 VAL 526 6.890 -6.693 -15.084 15 HG13 VAL 526 3HG1 VAL 526 6.577 -7.591 -13.598 16 HG21 VAL 526 1HG2 VAL 526 4.121 -5.530 -16.032 17 HG22 VAL 526 2HG2 VAL 526 4.117 -7.293 -15.982 18 HG23 VAL 526 3HG2 VAL 526 2.955 -6.380 -15.018 19 HA PRO 527 HA PRO 527 2.601 -3.768 -10.541 20 HB2 PRO 527 1HB PRO 527 4.428 -1.766 -10.372 21 HB3 PRO 527 2HB PRO 527 4.448 -3.179 -9.309 22 HG2 PRO 527 1HG PRO 527 6.074 -2.631 -11.763 23 HG3 PRO 527 2HG PRO 527 6.587 -3.320 -10.211 24 HD2 PRO 527 1HD PRO 527 6.095 -4.848 -12.391 25 HD3 PRO 527 2HD PRO 527 5.796 -5.419 -10.737 26 H GLY 528 H GLY 528 1.664 -1.683 -10.968 27 HA2 GLY 528 1HA GLY 528 2.000 0.229 -12.721 28 HA3 GLY 528 2HA GLY 528 1.631 -1.077 -13.838 29 H ARG 529 H ARG 529 -0.228 -2.230 -11.743 30 HA ARG 529 HA ARG 529 -2.524 -0.568 -12.473 31 HB2 ARG 529 1HB ARG 529 -2.071 -3.408 -12.151 32 HB3 ARG 529 2HB ARG 529 -3.441 -2.878 -11.184 33 HG2 ARG 529 1HG ARG 529 -4.094 -3.645 -13.423 34 HG3 ARG 529 2HG ARG 529 -4.517 -1.956 -13.134 35 HD2 ARG 529 1HD ARG 529 -3.530 -2.430 -15.388 36 HD3 ARG 529 2HD ARG 529 -2.694 -1.190 -14.454 37 HE ARG 529 HE ARG 529 -0.843 -2.537 -14.384 38 HH11 ARG 529 1HH1 ARG 529 -3.594 -4.419 -15.388 39 HH12 ARG 529 2HH1 ARG 529 -2.656 -5.818 -15.789 40 HH21 ARG 529 1HH2 ARG 529 0.404 -4.374 -14.909 41 HH22 ARG 529 2HH2 ARG 529 -0.381 -5.792 -15.516 42 H LEU 530 H LEU 530 -4.371 -0.972 -10.655 43 HA LEU 530 HA LEU 530 -3.233 0.214 -8.230 44 HB2 LEU 530 1HB LEU 530 -6.019 0.173 -9.363 45 HB3 LEU 530 2HB LEU 530 -5.647 0.778 -7.749 46 HG LEU 530 HG LEU 530 -5.834 2.665 -9.162 47 HD11 LEU 530 1HD1 LEU 530 -3.878 3.732 -8.667 48 HD12 LEU 530 2HD1 LEU 530 -2.876 2.374 -9.178 49 HD13 LEU 530 3HD1 LEU 530 -3.720 2.314 -7.631 50 HD21 LEU 530 1HD2 LEU 530 -4.809 2.923 -11.271 51 HD22 LEU 530 2HD2 LEU 530 -5.519 1.308 -11.278 52 HD23 LEU 530 3HD2 LEU 530 -3.784 1.507 -11.032 53 H PHE 531 H PHE 531 -3.790 -0.527 -6.160 54 HA PHE 531 HA PHE 531 -5.016 -3.202 -6.062 55 HB2 PHE 531 1HB PHE 531 -2.469 -2.243 -4.783 56 HB3 PHE 531 2HB PHE 531 -3.373 -3.590 -4.102 57 HD1 PHE 531 1HD PHE 531 -3.212 -5.743 -5.016 58 HD2 PHE 531 2HD PHE 531 -1.627 -2.413 -7.142 59 HE1 PHE 531 1HE PHE 531 -2.117 -7.278 -6.598 60 HE2 PHE 531 2HE PHE 531 -0.531 -3.942 -8.728 61 HZ PHE 531 HZ PHE 531 -0.777 -6.378 -8.457 62 H VAL 532 H VAL 532 -6.003 -3.762 -4.028 63 HA VAL 532 HA VAL 532 -6.719 -1.423 -2.383 64 HB VAL 532 HB VAL 532 -8.634 -1.945 -3.743 65 HG11 VAL 532 1HG1 VAL 532 -9.666 -4.115 -3.827 66 HG12 VAL 532 2HG1 VAL 532 -7.965 -4.278 -4.271 67 HG13 VAL 532 3HG1 VAL 532 -8.510 -4.756 -2.662 68 HG21 VAL 532 1HG2 VAL 532 -8.784 -1.551 -1.162 69 HG22 VAL 532 2HG2 VAL 532 -10.224 -1.998 -2.078 70 HG23 VAL 532 3HG2 VAL 532 -9.359 -3.219 -1.144 71 H ALA 533 H ALA 533 -6.239 -1.651 -0.306 72 HA ALA 533 HA ALA 533 -5.113 -4.006 0.760 73 HB1 ALA 533 1HB ALA 533 -6.085 -1.456 2.012 74 HB2 ALA 533 2HB ALA 533 -5.420 -2.778 2.974 75 HB3 ALA 533 3HB ALA 533 -4.426 -1.994 1.747 76 H ILE 534 H ILE 534 -6.048 -5.780 1.522 77 HA ILE 534 HA ILE 534 -8.907 -5.669 2.216 78 HB ILE 534 HB ILE 534 -8.923 -8.120 1.812 79 HG12 ILE 534 1HG1 ILE 534 -6.274 -7.809 0.433 80 HG13 ILE 534 2HG1 ILE 534 -6.336 -8.203 2.147 81 HG21 ILE 534 1HG2 ILE 534 -9.721 -6.716 0.066 82 HG22 ILE 534 2HG2 ILE 534 -8.083 -6.313 -0.444 83 HG23 ILE 534 3HG2 ILE 534 -8.703 -7.945 -0.683 84 HD11 ILE 534 1HD1 ILE 534 -7.082 -10.303 1.774 85 HD12 ILE 534 2HD1 ILE 534 -7.990 -9.846 0.332 86 HD13 ILE 534 3HD1 ILE 534 -6.241 -10.051 0.245 87 H LYS 535 H LYS 535 -5.803 -6.075 3.488 88 HA LYS 535 HA LYS 535 -6.943 -7.104 5.999 89 HB2 LYS 535 1HB LYS 535 -4.293 -7.874 4.763 90 HB3 LYS 535 2HB LYS 535 -4.794 -8.304 6.394 91 HG2 LYS 535 1HG LYS 535 -6.389 -9.075 3.969 92 HG3 LYS 535 2HG LYS 535 -5.078 -10.071 4.604 93 HD2 LYS 535 1HD LYS 535 -6.386 -9.765 6.868 94 HD3 LYS 535 2HD LYS 535 -7.745 -9.451 5.785 95 HE2 LYS 535 1HE LYS 535 -7.785 -11.592 4.994 96 HE3 LYS 535 2HE LYS 535 -6.053 -11.827 5.229 97 HZ1 LYS 535 1HZ LYS 535 -6.908 -13.129 6.882 98 HZ2 LYS 535 2HZ LYS 535 -8.248 -12.134 7.151 99 HZ3 LYS 535 3HZ LYS 535 -6.726 -11.676 7.729 100 HA PRO 536 HA PRO 536 -5.156 -3.392 7.620 101 HB2 PRO 536 1HB PRO 536 -5.529 -3.962 10.248 102 HB3 PRO 536 2HB PRO 536 -6.843 -3.455 9.179 103 HG2 PRO 536 1HG PRO 536 -6.087 -6.209 10.078 104 HG3 PRO 536 2HG PRO 536 -7.697 -5.479 9.940 105 HD2 PRO 536 1HD PRO 536 -6.697 -7.163 8.070 106 HD3 PRO 536 2HD PRO 536 -7.802 -5.834 7.666 107 H TYR 537 H TYR 537 -3.201 -2.741 8.412 108 HA TYR 537 HA TYR 537 -1.493 -4.559 9.871 109 HB2 TYR 537 1HB TYR 537 -1.274 -4.923 7.267 110 HB3 TYR 537 2HB TYR 537 -0.286 -3.470 7.360 111 HD1 TYR 537 1HD TYR 537 1.813 -3.479 8.657 112 HD2 TYR 537 2HD TYR 537 -0.485 -7.019 8.121 113 HE1 TYR 537 1HE TYR 537 3.747 -4.832 9.348 114 HE2 TYR 537 2HE TYR 537 1.442 -8.382 8.813 115 HH TYR 537 HH TYR 537 3.927 -8.156 8.874 116 H GLN 538 H GLN 538 0.377 -3.530 10.752 117 HA GLN 538 HA GLN 538 0.251 -0.587 10.670 118 HB2 GLN 538 1HB GLN 538 0.498 -2.478 12.965 119 HB3 GLN 538 2HB GLN 538 1.319 -0.925 13.069 120 HG2 GLN 538 1HG GLN 538 -1.538 -0.949 12.265 121 HG3 GLN 538 2HG GLN 538 -1.138 -1.264 13.953 122 HE21 GLN 538 1HE2 GLN 538 -1.399 2.452 12.747 123 HE22 GLN 538 2HE2 GLN 538 -2.129 1.070 12.009 124 HA PRO 539 HA PRO 539 4.504 -0.461 9.611 125 HB2 PRO 539 1HB PRO 539 5.367 1.714 10.987 126 HB3 PRO 539 2HB PRO 539 4.320 1.829 9.568 127 HG2 PRO 539 1HG PRO 539 3.597 1.956 12.471 128 HG3 PRO 539 2HG PRO 539 3.014 2.957 11.128 129 HD2 PRO 539 1HD PRO 539 1.578 0.895 12.139 130 HD3 PRO 539 2HD PRO 539 1.507 1.360 10.427 131 H GLN 540 H GLN 540 6.063 -1.791 10.267 132 HA GLN 540 HA GLN 540 6.854 -1.757 13.099 133 HB2 GLN 540 1HB GLN 540 6.040 -4.068 11.413 134 HB3 GLN 540 2HB GLN 540 7.377 -4.314 12.528 135 HG2 GLN 540 1HG GLN 540 5.688 -4.907 13.900 136 HG3 GLN 540 2HG GLN 540 5.673 -3.171 14.212 137 HE21 GLN 540 1HE2 GLN 540 2.302 -3.089 13.485 138 HE22 GLN 540 2HE2 GLN 540 3.604 -2.712 14.556 139 H VAL 541 H VAL 541 7.799 -1.036 10.112 140 HA VAL 541 HA VAL 541 10.615 -1.471 10.753 141 HB VAL 541 HB VAL 541 9.559 -2.132 8.006 142 HG11 VAL 541 1HG1 VAL 541 11.927 -3.409 8.273 143 HG12 VAL 541 2HG1 VAL 541 11.746 -1.793 7.586 144 HG13 VAL 541 3HG1 VAL 541 12.209 -1.986 9.277 145 HG21 VAL 541 1HG2 VAL 541 10.253 -4.017 10.257 146 HG22 VAL 541 2HG2 VAL 541 8.652 -3.754 9.566 147 HG23 VAL 541 3HG2 VAL 541 9.921 -4.496 8.593 148 H ASP 542 H ASP 542 12.055 -0.066 9.619 149 HA ASP 542 HA ASP 542 11.150 2.558 9.342 150 HB2 ASP 542 1HB ASP 542 13.659 1.182 8.396 151 HB3 ASP 542 2HB ASP 542 13.387 2.904 8.144 152 H GLY 543 H GLY 543 9.740 3.255 7.874 153 HA2 GLY 543 1HA GLY 543 9.477 4.012 5.584 154 HA3 GLY 543 2HA GLY 543 10.201 2.499 5.060 155 H GLU 544 H GLU 544 8.672 0.845 6.883 156 HA GLU 544 HA GLU 544 6.538 0.136 5.289 157 HB2 GLU 544 1HB GLU 544 7.342 -0.416 8.080 158 HB3 GLU 544 2HB GLU 544 5.652 -0.711 7.701 159 HG2 GLU 544 1HG GLU 544 6.585 -2.028 5.681 160 HG3 GLU 544 2HG GLU 544 8.091 -2.031 6.598 161 H ILE 545 H ILE 545 4.234 0.310 5.615 162 HA ILE 545 HA ILE 545 3.377 2.677 7.127 163 HB ILE 545 HB ILE 545 1.732 2.999 5.097 164 HG12 ILE 545 1HG1 ILE 545 4.165 1.803 3.755 165 HG13 ILE 545 2HG1 ILE 545 2.596 1.016 3.877 166 HG21 ILE 545 1HG2 ILE 545 3.982 4.283 6.021 167 HG22 ILE 545 2HG2 ILE 545 4.322 4.065 4.305 168 HG23 ILE 545 3HG2 ILE 545 2.858 4.907 4.815 169 HD11 ILE 545 1HD1 ILE 545 2.477 3.690 2.721 170 HD12 ILE 545 2HD1 ILE 545 3.442 2.545 1.790 171 HD13 ILE 545 3HD1 ILE 545 1.761 2.176 2.169 172 HA PRO 546 HA PRO 546 -0.033 0.255 8.457 173 HB2 PRO 546 1HB PRO 546 -2.024 2.097 8.579 174 HB3 PRO 546 2HB PRO 546 -0.683 2.054 9.729 175 HG2 PRO 546 1HG PRO 546 -1.056 3.791 7.320 176 HG3 PRO 546 2HG PRO 546 -0.464 4.228 8.933 177 HD2 PRO 546 1HD PRO 546 1.197 3.813 6.835 178 HD3 PRO 546 2HD PRO 546 1.657 3.435 8.508 179 H LEU 547 H LEU 547 -2.297 -0.386 7.924 180 HA LEU 547 HA LEU 547 -3.155 0.157 5.198 181 HB2 LEU 547 1HB LEU 547 -2.307 -2.548 6.190 182 HB3 LEU 547 2HB LEU 547 -3.426 -2.357 4.843 183 HG LEU 547 HG LEU 547 -0.703 -1.090 4.811 184 HD11 LEU 547 1HD1 LEU 547 -1.282 -3.893 4.802 185 HD12 LEU 547 2HD1 LEU 547 0.274 -3.074 4.667 186 HD13 LEU 547 3HD1 LEU 547 -0.676 -3.405 3.219 187 HD21 LEU 547 1HD2 LEU 547 -1.168 -0.564 2.680 188 HD22 LEU 547 2HD2 LEU 547 -2.847 -0.802 3.164 189 HD23 LEU 547 3HD2 LEU 547 -1.964 -2.105 2.367 190 H HIS 548 H HIS 548 -5.326 -0.501 4.769 191 HA HIS 548 HA HIS 548 -6.891 -1.480 7.029 192 HB2 HIS 548 1HB HIS 548 -6.717 1.198 6.722 193 HB3 HIS 548 2HB HIS 548 -8.075 0.859 5.654 194 HD1 HIS 548 1HD HIS 548 -7.042 0.207 9.251 195 HD2 HIS 548 2HD HIS 548 -10.459 0.664 6.933 196 HE1 HIS 548 1HE HIS 548 -8.962 0.188 10.875 197 H ARG 549 H ARG 549 -8.936 -2.325 6.450 198 HA ARG 549 HA ARG 549 -9.002 -3.506 3.859 199 HB2 ARG 549 1HB ARG 549 -11.183 -3.423 5.950 200 HB3 ARG 549 2HB ARG 549 -11.089 -4.528 4.586 201 HG2 ARG 549 1HG ARG 549 -8.868 -5.294 5.599 202 HG3 ARG 549 2HG ARG 549 -9.400 -4.454 7.058 203 HD2 ARG 549 1HD ARG 549 -9.963 -6.846 7.103 204 HD3 ARG 549 2HD ARG 549 -11.397 -5.821 7.152 205 HE ARG 549 HE ARG 549 -10.743 -6.596 4.490 206 HH11 ARG 549 1HH1 ARG 549 -12.232 -7.702 7.436 207 HH12 ARG 549 2HH1 ARG 549 -13.264 -8.844 6.641 208 HH21 ARG 549 1HH2 ARG 549 -12.098 -8.095 3.431 209 HH22 ARG 549 2HH2 ARG 549 -13.186 -9.066 4.362 210 H GLY 550 H GLY 550 -9.664 -2.561 2.052 211 HA2 GLY 550 1HA GLY 550 -11.427 -1.603 0.745 212 HA3 GLY 550 2HA GLY 550 -11.971 -0.742 2.177 213 H ASP 551 H ASP 551 -8.662 -0.563 2.064 214 HA ASP 551 HA ASP 551 -8.777 2.194 1.159 215 HB2 ASP 551 1HB ASP 551 -7.102 0.651 2.936 216 HB3 ASP 551 2HB ASP 551 -6.117 1.527 1.768 217 H ARG 552 H ARG 552 -7.972 2.963 -0.708 218 HA ARG 552 HA ARG 552 -7.121 1.038 -2.702 219 HB2 ARG 552 1HB ARG 552 -7.422 4.024 -3.030 220 HB3 ARG 552 2HB ARG 552 -7.397 2.805 -4.297 221 HG2 ARG 552 1HG ARG 552 -9.546 3.169 -2.219 222 HG3 ARG 552 2HG ARG 552 -9.649 3.606 -3.927 223 HD2 ARG 552 1HD ARG 552 -8.967 1.029 -4.174 224 HD3 ARG 552 2HD ARG 552 -9.804 0.953 -2.624 225 HE ARG 552 HE ARG 552 -11.371 2.389 -4.469 226 HH11 ARG 552 1HH1 ARG 552 -10.277 -0.847 -3.797 227 HH12 ARG 552 2HH1 ARG 552 -11.656 -1.605 -4.523 228 HH21 ARG 552 1HH2 ARG 552 -13.192 1.403 -5.428 229 HH22 ARG 552 2HH2 ARG 552 -13.313 -0.323 -5.451 230 H VAL 553 H VAL 553 -5.048 0.417 -2.414 231 HA VAL 553 HA VAL 553 -2.998 2.402 -1.819 232 HB VAL 553 HB VAL 553 -2.799 -0.600 -2.100 233 HG11 VAL 553 1HG1 VAL 553 -0.773 1.466 -2.014 234 HG12 VAL 553 2HG1 VAL 553 -0.607 0.329 -0.674 235 HG13 VAL 553 3HG1 VAL 553 -0.611 -0.260 -2.337 236 HG21 VAL 553 1HG2 VAL 553 -3.831 -0.458 -0.095 237 HG22 VAL 553 2HG2 VAL 553 -2.205 -0.075 0.472 238 HG23 VAL 553 3HG2 VAL 553 -3.357 1.223 0.153 239 H LYS 554 H LYS 554 -1.521 3.133 -3.237 240 HA LYS 554 HA LYS 554 -1.724 2.164 -6.005 241 HB2 LYS 554 1HB LYS 554 -2.145 4.628 -5.368 242 HB3 LYS 554 2HB LYS 554 -0.403 4.731 -5.156 243 HG2 LYS 554 1HG LYS 554 -0.780 3.519 -7.644 244 HG3 LYS 554 2HG LYS 554 -1.960 4.830 -7.565 245 HD2 LYS 554 1HD LYS 554 0.997 5.100 -7.016 246 HD3 LYS 554 2HD LYS 554 0.190 5.564 -8.516 247 HE2 LYS 554 1HE LYS 554 -0.017 7.583 -7.576 248 HE3 LYS 554 2HE LYS 554 -1.302 6.856 -6.613 249 HZ1 LYS 554 1HZ LYS 554 1.040 7.988 -5.689 250 HZ2 LYS 554 2HZ LYS 554 1.230 6.323 -5.459 251 HZ3 LYS 554 3HZ LYS 554 -0.100 7.123 -4.787 252 H VAL 555 H VAL 555 -0.213 0.713 -6.485 253 HA VAL 555 HA VAL 555 2.270 0.514 -5.093 254 HB VAL 555 HB VAL 555 1.384 -0.819 -7.656 255 HG11 VAL 555 1HG1 VAL 555 3.678 -1.486 -5.814 256 HG12 VAL 555 2HG1 VAL 555 3.177 -2.420 -7.225 257 HG13 VAL 555 3HG1 VAL 555 3.817 -0.789 -7.428 258 HG21 VAL 555 1HG2 VAL 555 1.282 -1.708 -4.778 259 HG22 VAL 555 2HG2 VAL 555 -0.080 -1.433 -5.863 260 HG23 VAL 555 3HG2 VAL 555 1.021 -2.780 -6.152 261 H LEU 556 H LEU 556 4.333 1.013 -5.775 262 HA LEU 556 HA LEU 556 4.544 2.646 -8.217 263 HB2 LEU 556 1HB LEU 556 6.129 3.117 -5.704 264 HB3 LEU 556 2HB LEU 556 6.038 4.145 -7.132 265 HG LEU 556 HG LEU 556 3.611 3.633 -5.447 266 HD11 LEU 556 1HD1 LEU 556 5.240 4.412 -3.871 267 HD12 LEU 556 2HD1 LEU 556 4.152 5.745 -4.256 268 HD13 LEU 556 3HD1 LEU 556 5.763 5.688 -4.972 269 HD21 LEU 556 1HD2 LEU 556 2.831 5.672 -6.401 270 HD22 LEU 556 2HD2 LEU 556 3.452 4.676 -7.718 271 HD23 LEU 556 3HD2 LEU 556 4.413 6.019 -7.100 272 H SER 557 H SER 557 6.243 0.579 -5.900 273 HA SER 557 HA SER 557 7.820 -0.538 -8.064 274 HB2 SER 557 1HB SER 557 9.215 1.340 -7.363 275 HB3 SER 557 2HB SER 557 9.127 0.805 -5.684 276 HG SER 557 HG SER 557 10.570 -0.256 -7.826 277 H ILE 558 H ILE 558 8.698 -2.571 -7.588 278 HA ILE 558 HA ILE 558 7.247 -4.104 -5.704 279 HB ILE 558 HB ILE 558 9.782 -4.854 -7.166 280 HG12 ILE 558 1HG1 ILE 558 7.896 -4.147 -8.642 281 HG13 ILE 558 2HG1 ILE 558 8.353 -5.834 -8.849 282 HG21 ILE 558 1HG2 ILE 558 7.839 -6.379 -5.497 283 HG22 ILE 558 2HG2 ILE 558 8.627 -7.182 -6.855 284 HG23 ILE 558 3HG2 ILE 558 9.598 -6.484 -5.558 285 HD11 ILE 558 1HD1 ILE 558 6.278 -5.531 -6.863 286 HD12 ILE 558 2HD1 ILE 558 5.810 -4.844 -8.419 287 HD13 ILE 558 3HD1 ILE 558 6.319 -6.529 -8.318 288 H GLY 559 H GLY 559 7.880 -5.068 -3.779 289 HA2 GLY 559 1HA GLY 559 10.004 -3.645 -2.367 290 HA3 GLY 559 2HA GLY 559 8.774 -4.667 -1.638 291 H GLU 560 H GLU 560 10.146 -5.933 -0.439 292 HA GLU 560 HA GLU 560 11.767 -7.822 -1.992 293 HB2 GLU 560 1HB GLU 560 12.661 -6.133 0.317 294 HB3 GLU 560 2HB GLU 560 13.380 -7.718 0.062 295 HG2 GLU 560 1HG GLU 560 13.821 -6.913 -2.332 296 HG3 GLU 560 2HG GLU 560 13.494 -5.300 -1.699 297 H GLY 561 H GLY 561 11.166 -9.835 -1.564 298 HA2 GLY 561 1HA GLY 561 10.529 -11.703 -0.369 299 HA3 GLY 561 2HA GLY 561 10.731 -10.770 1.106 300 H GLY 562 H GLY 562 8.561 -10.639 -1.729 301 HA2 GLY 562 1HA GLY 562 6.260 -10.695 -1.840 302 HA3 GLY 562 2HA GLY 562 6.247 -11.246 -0.171 303 H PHE 563 H PHE 563 7.993 -8.370 -0.676 304 HA PHE 563 HA PHE 563 5.879 -6.858 0.659 305 HB2 PHE 563 1HB PHE 563 8.786 -6.810 0.676 306 HB3 PHE 563 2HB PHE 563 8.107 -5.204 0.426 307 HD1 PHE 563 1HD PHE 563 8.901 -7.720 2.805 308 HD2 PHE 563 2HD PHE 563 6.321 -4.414 2.079 309 HE1 PHE 563 1HE PHE 563 8.464 -7.535 5.220 310 HE2 PHE 563 2HE PHE 563 5.881 -4.222 4.492 311 HZ PHE 563 HZ PHE 563 6.953 -5.784 6.066 312 H TRP 564 H TRP 564 5.909 -4.418 0.011 313 HA TRP 564 HA TRP 564 6.270 -3.992 -2.840 314 HB2 TRP 564 1HB TRP 564 3.752 -4.760 -1.823 315 HB3 TRP 564 2HB TRP 564 3.641 -3.036 -2.167 316 HD1 TRP 564 HD TRP 564 5.584 -3.105 -4.771 317 HE1 TRP 564 1HE TRP 564 4.642 -4.080 -6.959 318 HE3 TRP 564 3HE TRP 564 1.756 -5.891 -2.839 319 HZ2 TRP 564 2HZ TRP 564 2.554 -5.801 -7.761 320 HZ3 TRP 564 3HZ TRP 564 0.333 -7.172 -4.385 321 HH2 TRP 564 HH TRP 564 0.725 -7.126 -6.795 322 H GLU 565 H GLU 565 6.015 -1.742 -3.461 323 HA GLU 565 HA GLU 565 6.211 0.111 -1.180 324 HB2 GLU 565 1HB GLU 565 8.329 -0.545 -2.732 325 HB3 GLU 565 2HB GLU 565 7.685 0.813 -3.645 326 HG2 GLU 565 1HG GLU 565 7.756 2.163 -1.552 327 HG3 GLU 565 2HG GLU 565 8.580 0.813 -0.775 328 H GLY 566 H GLY 566 4.528 1.443 -1.208 329 HA2 GLY 566 1HA GLY 566 3.896 2.961 -3.570 330 HA3 GLY 566 2HA GLY 566 2.647 1.801 -3.144 331 H SER 567 H SER 567 1.176 3.509 -2.772 332 HA SER 567 HA SER 567 1.628 4.891 -0.210 333 HB2 SER 567 1HB SER 567 -0.005 6.104 -2.430 334 HB3 SER 567 2HB SER 567 0.698 6.897 -1.019 335 HG SER 567 HG SER 567 2.762 5.999 -2.160 336 H ALA 568 H ALA 568 -0.064 4.949 1.207 337 HA ALA 568 HA ALA 568 -2.686 4.001 0.359 338 HB1 ALA 568 1HB ALA 568 -2.817 2.273 2.044 339 HB2 ALA 568 2HB ALA 568 -1.440 1.969 0.985 340 HB3 ALA 568 3HB ALA 568 -1.183 2.645 2.593 341 H ARG 569 H ARG 569 -4.276 5.067 1.367 342 HA ARG 569 HA ARG 569 -5.374 6.458 2.791 343 HB2 ARG 569 1HB ARG 569 -4.476 4.674 4.431 344 HB3 ARG 569 2HB ARG 569 -3.290 5.891 4.883 345 HG2 ARG 569 1HG ARG 569 -4.883 6.313 6.444 346 HG3 ARG 569 2HG ARG 569 -5.446 7.386 5.161 347 HD2 ARG 569 1HD ARG 569 -6.976 5.600 4.396 348 HD3 ARG 569 2HD ARG 569 -6.456 4.608 5.757 349 HE ARG 569 HE ARG 569 -7.411 7.155 6.604 350 HH11 ARG 569 1HH1 ARG 569 -8.430 3.998 5.547 351 HH12 ARG 569 2HH1 ARG 569 -9.949 4.067 6.378 352 HH21 ARG 569 1HH2 ARG 569 -9.409 7.258 7.702 353 HH22 ARG 569 2HH2 ARG 569 -10.505 5.922 7.603 354 H GLY 570 H GLY 570 -3.026 7.347 1.160 355 HA2 GLY 570 1HA GLY 570 -2.431 9.603 0.757 356 HA3 GLY 570 2HA GLY 570 -2.743 9.962 2.450 357 H HIS 571 H HIS 571 -1.159 7.524 3.227 358 HA HIS 571 HA HIS 571 1.393 8.862 3.367 359 HB2 HIS 571 1HB HIS 571 0.430 6.215 4.467 360 HB3 HIS 571 2HB HIS 571 2.042 6.867 4.746 361 HD1 HIS 571 1HD HIS 571 -1.500 8.227 5.149 362 HD2 HIS 571 2HD HIS 571 2.140 8.079 7.147 363 HE1 HIS 571 1HE HIS 571 -1.874 9.445 7.317 364 H ILE 572 H ILE 572 3.424 7.599 2.955 365 HA ILE 572 HA ILE 572 3.169 5.748 0.693 366 HB ILE 572 HB ILE 572 5.121 8.050 0.720 367 HG12 ILE 572 1HG1 ILE 572 3.548 8.534 -1.415 368 HG13 ILE 572 2HG1 ILE 572 2.367 7.784 -0.349 369 HG21 ILE 572 1HG2 ILE 572 6.200 6.830 -0.793 370 HG22 ILE 572 2HG2 ILE 572 4.920 5.617 -0.811 371 HG23 ILE 572 3HG2 ILE 572 4.809 7.032 -1.857 372 HD11 ILE 572 1HD1 ILE 572 4.092 9.973 0.696 373 HD12 ILE 572 2HD1 ILE 572 2.712 10.359 -0.333 374 HD13 ILE 572 3HD1 ILE 572 2.467 9.487 1.180 375 H GLY 573 H GLY 573 4.407 3.998 0.914 376 HA2 GLY 573 1HA GLY 573 7.044 3.949 1.845 377 HA3 GLY 573 2HA GLY 573 5.997 3.578 3.207 378 H TRP 574 H TRP 574 6.916 1.484 3.329 379 HA TRP 574 HA TRP 574 6.373 -0.313 1.084 380 HB2 TRP 574 1HB TRP 574 8.235 -0.328 3.386 381 HB3 TRP 574 2HB TRP 574 7.596 -1.896 2.900 382 HD1 TRP 574 HD TRP 574 8.093 -2.618 0.277 383 HE1 TRP 574 1HE TRP 574 10.136 -2.092 -1.197 384 HE3 TRP 574 3HE TRP 574 9.991 1.334 2.904 385 HZ2 TRP 574 2HZ TRP 574 12.271 -0.246 -1.240 386 HZ3 TRP 574 3HZ TRP 574 12.038 2.423 2.080 387 HH2 TRP 574 HH TRP 574 13.153 1.649 0.051 388 H PHE 575 H PHE 575 5.431 -2.445 1.541 389 HA PHE 575 HA PHE 575 3.999 -2.952 3.932 390 HB2 PHE 575 1HB PHE 575 1.714 -2.684 3.099 391 HB3 PHE 575 2HB PHE 575 2.568 -1.144 3.074 392 HD1 PHE 575 1HD PHE 575 2.890 0.044 1.066 393 HD2 PHE 575 2HD PHE 575 1.378 -3.934 0.971 394 HE1 PHE 575 1HE PHE 575 2.333 0.316 -1.316 395 HE2 PHE 575 2HE PHE 575 0.819 -3.668 -1.411 396 HZ PHE 575 HZ PHE 575 1.296 -1.542 -2.557 397 HA PRO 576 HA PRO 576 4.031 -7.003 2.244 398 HB2 PRO 576 1HB PRO 576 1.915 -8.121 3.528 399 HB3 PRO 576 2HB PRO 576 3.442 -7.748 4.337 400 HG2 PRO 576 1HG PRO 576 0.883 -6.196 4.313 401 HG3 PRO 576 2HG PRO 576 1.971 -6.539 5.671 402 HD2 PRO 576 1HD PRO 576 1.971 -4.166 4.367 403 HD3 PRO 576 2HD PRO 576 3.439 -4.864 5.081 404 H ALA 577 H ALA 577 3.353 -7.865 0.383 405 HA ALA 577 HA ALA 577 1.233 -6.730 -1.107 406 HB1 ALA 577 1HB ALA 577 2.531 -9.389 -1.651 407 HB2 ALA 577 2HB ALA 577 1.774 -8.290 -2.805 408 HB3 ALA 577 3HB ALA 577 3.295 -7.845 -2.031 409 H GLU 578 H GLU 578 1.418 -9.405 1.098 410 HA GLU 578 HA GLU 578 -0.903 -10.792 0.267 411 HB2 GLU 578 1HB GLU 578 -0.826 -11.799 2.552 412 HB3 GLU 578 2HB GLU 578 0.689 -11.913 1.667 413 HG2 GLU 578 1HG GLU 578 1.762 -10.417 3.031 414 HG3 GLU 578 2HG GLU 578 0.266 -9.620 3.515 415 H CYS 579 H CYS 579 -0.510 -7.791 1.756 416 HA CYS 579 HA CYS 579 -3.095 -7.857 3.104 417 HB2 CYS 579 1HB CYS 579 -0.719 -6.083 3.155 418 HB3 CYS 579 2HB CYS 579 -2.276 -5.308 3.420 419 HG CYS 579 HG CYS 579 -2.364 -7.898 5.310 420 H VAL 580 H VAL 580 -1.863 -7.149 0.065 421 HA VAL 580 HA VAL 580 -4.145 -5.385 -0.552 422 HB VAL 580 HB VAL 580 -2.773 -4.756 -2.603 423 HG11 VAL 580 1HG1 VAL 580 -3.093 -3.424 -0.440 424 HG12 VAL 580 2HG1 VAL 580 -1.450 -3.931 -0.038 425 HG13 VAL 580 3HG1 VAL 580 -1.749 -2.972 -1.488 426 HG21 VAL 580 1HG2 VAL 580 -1.163 -6.550 -2.568 427 HG22 VAL 580 2HG2 VAL 580 -0.321 -5.016 -2.348 428 HG23 VAL 580 3HG2 VAL 580 -0.608 -6.070 -0.964 429 H GLU 581 H GLU 581 -5.339 -5.769 -2.436 430 HA GLU 581 HA GLU 581 -4.816 -8.304 -3.825 431 HB2 GLU 581 1HB GLU 581 -6.636 -8.367 -1.947 432 HB3 GLU 581 2HB GLU 581 -7.628 -7.532 -3.134 433 HG2 GLU 581 1HG GLU 581 -8.049 -9.901 -3.221 434 HG3 GLU 581 2HG GLU 581 -7.273 -9.371 -4.713 435 H GLU 582 H GLU 582 -5.647 -8.437 -5.949 436 HA GLU 582 HA GLU 582 -5.724 -5.912 -7.309 437 HB2 GLU 582 1HB GLU 582 -5.828 -8.783 -8.171 438 HB3 GLU 582 2HB GLU 582 -6.214 -7.505 -9.315 439 HG2 GLU 582 1HG GLU 582 -3.924 -6.521 -8.450 440 HG3 GLU 582 2HG GLU 582 -3.621 -8.214 -8.061 441 H VAL 583 H VAL 583 -7.461 -4.730 -7.726 442 HA VAL 583 HA VAL 583 -10.024 -5.278 -6.873 443 HB VAL 583 HB VAL 583 -10.798 -3.468 -8.288 444 HG11 VAL 583 1HG1 VAL 583 -9.849 -2.033 -6.886 445 HG12 VAL 583 2HG1 VAL 583 -8.703 -3.293 -6.423 446 HG13 VAL 583 3HG1 VAL 583 -8.305 -2.173 -7.727 447 HG21 VAL 583 1HG2 VAL 583 -9.732 -4.016 -10.368 448 HG22 VAL 583 2HG2 VAL 583 -9.232 -2.392 -9.897 449 HG23 VAL 583 3HG2 VAL 583 -8.134 -3.753 -9.670 450 H GLN 584 H GLN 584 -11.970 -5.815 -7.986 451 HA GLN 584 HA GLN 584 -11.521 -7.577 -10.302 452 HB2 GLN 584 1HB GLN 584 -13.545 -7.727 -8.071 453 HB3 GLN 584 2HB GLN 584 -13.674 -8.683 -9.541 454 HG2 GLN 584 1HG GLN 584 -11.165 -8.773 -7.930 455 HG3 GLN 584 2HG GLN 584 -12.579 -9.691 -7.414 456 HE21 GLN 584 1HE2 GLN 584 -12.529 -11.771 -10.368 457 HE22 GLN 584 2HE2 GLN 584 -13.639 -10.832 -9.433 458 H SER 585 H SER 585 -12.450 -7.041 -12.164 459 HA SER 585 HA SER 585 -14.779 -5.244 -12.118 460 HB2 SER 585 1HB SER 585 -12.156 -4.778 -13.301 461 HB3 SER 585 2HB SER 585 -13.455 -4.636 -14.485 462 HG SER 585 HG SER 585 -13.073 -2.654 -13.428 Start of MODEL 9 1 H1 MET 525 H MET 525 1.267 -8.427 -15.312 2 HA MET 525 HA MET 525 2.062 -8.596 -13.169 3 HB2 MET 525 1HB MET 525 3.989 -10.258 -13.018 4 HB3 MET 525 2HB MET 525 2.527 -10.813 -13.820 5 HG2 MET 525 1HG MET 525 3.547 -10.425 -15.990 6 HG3 MET 525 2HG MET 525 5.003 -9.813 -15.208 7 HE1 MET 525 1HE MET 525 7.070 -12.694 -15.679 8 HE2 MET 525 2HE MET 525 6.749 -10.961 -15.753 9 HE3 MET 525 3HE MET 525 7.019 -11.743 -14.194 10 H VAL 526 H VAL 526 2.699 -6.178 -13.711 11 HA VAL 526 HA VAL 526 5.464 -5.876 -12.779 12 HB VAL 526 HB VAL 526 5.591 -3.786 -14.258 13 HG11 VAL 526 1HG1 VAL 526 5.592 -6.192 -15.994 14 HG12 VAL 526 2HG1 VAL 526 6.830 -4.954 -15.771 15 HG13 VAL 526 3HG1 VAL 526 6.615 -6.217 -14.559 16 HG21 VAL 526 1HG2 VAL 526 4.276 -3.833 -16.304 17 HG22 VAL 526 2HG2 VAL 526 3.433 -5.279 -15.748 18 HG23 VAL 526 3HG2 VAL 526 3.220 -3.751 -14.894 19 HA PRO 527 HA PRO 527 3.817 -2.987 -9.915 20 HB2 PRO 527 1HB PRO 527 5.880 -1.239 -9.662 21 HB3 PRO 527 2HB PRO 527 5.919 -2.874 -8.993 22 HG2 PRO 527 1HG PRO 527 7.118 -1.837 -11.532 23 HG3 PRO 527 2HG PRO 527 7.820 -2.937 -10.331 24 HD2 PRO 527 1HD PRO 527 6.748 -3.812 -12.659 25 HD3 PRO 527 2HD PRO 527 6.689 -4.766 -11.162 26 H GLY 528 H GLY 528 3.191 -0.735 -9.599 27 HA2 GLY 528 1HA GLY 528 2.916 1.496 -10.420 28 HA3 GLY 528 2HA GLY 528 3.238 0.901 -12.043 29 H ARG 529 H ARG 529 1.096 -0.873 -9.979 30 HA ARG 529 HA ARG 529 -1.182 0.094 -11.579 31 HB2 ARG 529 1HB ARG 529 -0.589 -2.654 -10.483 32 HB3 ARG 529 2HB ARG 529 -2.178 -2.187 -11.073 33 HG2 ARG 529 1HG ARG 529 0.365 -2.182 -12.686 34 HG3 ARG 529 2HG ARG 529 -0.908 -3.402 -12.761 35 HD2 ARG 529 1HD ARG 529 -1.618 -2.123 -14.486 36 HD3 ARG 529 2HD ARG 529 -2.378 -1.203 -13.187 37 HE ARG 529 HE ARG 529 0.288 -0.332 -13.811 38 HH11 ARG 529 1HH1 ARG 529 -3.083 -0.038 -14.630 39 HH12 ARG 529 2HH1 ARG 529 -2.911 1.540 -15.326 40 HH21 ARG 529 1HH2 ARG 529 0.527 1.745 -14.724 41 HH22 ARG 529 2HH2 ARG 529 -0.856 2.552 -15.380 42 H LEU 530 H LEU 530 -3.333 -0.574 -10.374 43 HA LEU 530 HA LEU 530 -3.141 0.639 -7.714 44 HB2 LEU 530 1HB LEU 530 -5.280 0.425 -9.775 45 HB3 LEU 530 2HB LEU 530 -5.748 0.609 -8.086 46 HG LEU 530 HG LEU 530 -5.758 2.754 -9.210 47 HD11 LEU 530 1HD1 LEU 530 -3.376 2.612 -7.372 48 HD12 LEU 530 2HD1 LEU 530 -5.052 2.569 -6.823 49 HD13 LEU 530 3HD1 LEU 530 -4.434 3.994 -7.659 50 HD21 LEU 530 1HD2 LEU 530 -2.870 2.974 -9.559 51 HD22 LEU 530 2HD2 LEU 530 -4.183 3.461 -10.630 52 HD23 LEU 530 3HD2 LEU 530 -3.618 1.790 -10.631 53 H PHE 531 H PHE 531 -3.800 -0.372 -5.882 54 HA PHE 531 HA PHE 531 -4.971 -3.055 -6.132 55 HB2 PHE 531 1HB PHE 531 -2.469 -2.252 -4.708 56 HB3 PHE 531 2HB PHE 531 -3.465 -3.525 -4.011 57 HD1 PHE 531 1HD PHE 531 -3.489 -5.701 -4.924 58 HD2 PHE 531 2HD PHE 531 -1.521 -2.541 -6.987 59 HE1 PHE 531 1HE PHE 531 -2.460 -7.339 -6.444 60 HE2 PHE 531 2HE PHE 531 -0.489 -4.174 -8.511 61 HZ PHE 531 HZ PHE 531 -0.958 -6.577 -8.241 62 H VAL 532 H VAL 532 -5.909 -3.836 -4.054 63 HA VAL 532 HA VAL 532 -6.904 -1.599 -2.412 64 HB VAL 532 HB VAL 532 -8.538 -4.031 -3.128 65 HG11 VAL 532 1HG1 VAL 532 -8.880 -1.742 -1.363 66 HG12 VAL 532 2HG1 VAL 532 -10.221 -1.946 -2.493 67 HG13 VAL 532 3HG1 VAL 532 -9.761 -3.268 -1.421 68 HG21 VAL 532 1HG2 VAL 532 -8.214 -2.915 -5.190 69 HG22 VAL 532 2HG2 VAL 532 -9.802 -2.417 -4.608 70 HG23 VAL 532 3HG2 VAL 532 -8.423 -1.328 -4.448 71 H ALA 533 H ALA 533 -6.315 -1.805 -0.365 72 HA ALA 533 HA ALA 533 -5.140 -4.149 0.696 73 HB1 ALA 533 1HB ALA 533 -4.432 -2.115 1.631 74 HB2 ALA 533 2HB ALA 533 -6.086 -1.589 1.951 75 HB3 ALA 533 3HB ALA 533 -5.377 -2.896 2.898 76 H ILE 534 H ILE 534 -6.064 -5.914 1.488 77 HA ILE 534 HA ILE 534 -8.908 -5.795 2.237 78 HB ILE 534 HB ILE 534 -8.931 -8.246 1.886 79 HG12 ILE 534 1HG1 ILE 534 -6.328 -8.069 0.436 80 HG13 ILE 534 2HG1 ILE 534 -6.293 -8.241 2.188 81 HG21 ILE 534 1HG2 ILE 534 -8.182 -7.849 -0.727 82 HG22 ILE 534 2HG2 ILE 534 -9.763 -7.480 -0.039 83 HG23 ILE 534 3HG2 ILE 534 -8.539 -6.216 -0.165 84 HD11 ILE 534 1HD1 ILE 534 -6.863 -10.391 2.095 85 HD12 ILE 534 2HD1 ILE 534 -8.099 -10.109 0.869 86 HD13 ILE 534 3HD1 ILE 534 -6.409 -10.287 0.395 87 H LYS 535 H LYS 535 -5.773 -6.198 3.464 88 HA LYS 535 HA LYS 535 -6.876 -7.176 6.013 89 HB2 LYS 535 1HB LYS 535 -4.168 -7.862 4.852 90 HB3 LYS 535 2HB LYS 535 -4.773 -8.375 6.422 91 HG2 LYS 535 1HG LYS 535 -6.406 -9.051 4.044 92 HG3 LYS 535 2HG LYS 535 -4.890 -9.924 4.276 93 HD2 LYS 535 1HD LYS 535 -5.580 -10.727 6.403 94 HD3 LYS 535 2HD LYS 535 -6.970 -9.638 6.436 95 HE2 LYS 535 1HE LYS 535 -7.865 -11.734 5.885 96 HE3 LYS 535 2HE LYS 535 -7.768 -10.870 4.351 97 HZ1 LYS 535 1HZ LYS 535 -6.670 -13.337 4.966 98 HZ2 LYS 535 2HZ LYS 535 -5.363 -12.274 4.821 99 HZ3 LYS 535 3HZ LYS 535 -6.459 -12.445 3.544 100 HA PRO 536 HA PRO 536 -5.176 -3.394 7.562 101 HB2 PRO 536 1HB PRO 536 -5.502 -3.935 10.203 102 HB3 PRO 536 2HB PRO 536 -6.842 -3.482 9.142 103 HG2 PRO 536 1HG PRO 536 -5.997 -6.200 10.071 104 HG3 PRO 536 2HG PRO 536 -7.629 -5.519 9.942 105 HD2 PRO 536 1HD PRO 536 -6.602 -7.201 8.085 106 HD3 PRO 536 2HD PRO 536 -7.750 -5.910 7.674 107 H TYR 537 H TYR 537 -3.272 -2.655 8.464 108 HA TYR 537 HA TYR 537 -1.489 -4.386 9.901 109 HB2 TYR 537 1HB TYR 537 -1.281 -4.862 7.318 110 HB3 TYR 537 2HB TYR 537 -0.335 -3.377 7.331 111 HD1 TYR 537 1HD TYR 537 1.757 -3.258 8.668 112 HD2 TYR 537 2HD TYR 537 -0.399 -6.896 8.193 113 HE1 TYR 537 1HE TYR 537 3.737 -4.520 9.401 114 HE2 TYR 537 2HE TYR 537 1.575 -8.168 8.926 115 HH TYR 537 HH TYR 537 3.618 -7.782 10.271 116 H GLN 538 H GLN 538 0.360 -3.280 10.726 117 HA GLN 538 HA GLN 538 0.188 -0.347 10.500 118 HB2 GLN 538 1HB GLN 538 0.179 -2.095 12.859 119 HB3 GLN 538 2HB GLN 538 1.327 -0.767 12.958 120 HG2 GLN 538 1HG GLN 538 -0.939 -0.313 13.919 121 HG3 GLN 538 2HG GLN 538 -0.377 0.850 12.719 122 HE21 GLN 538 1HE2 GLN 538 -3.267 0.534 10.880 123 HE22 GLN 538 2HE2 GLN 538 -1.975 1.507 11.490 124 HA PRO 539 HA PRO 539 4.456 -0.230 9.495 125 HB2 PRO 539 1HB PRO 539 5.273 2.029 10.759 126 HB3 PRO 539 2HB PRO 539 4.246 2.051 9.321 127 HG2 PRO 539 1HG PRO 539 3.478 2.332 12.200 128 HG3 PRO 539 2HG PRO 539 2.903 3.249 10.795 129 HD2 PRO 539 1HD PRO 539 1.476 1.231 11.901 130 HD3 PRO 539 2HD PRO 539 1.425 1.597 10.164 131 H GLN 540 H GLN 540 5.729 -1.775 10.337 132 HA GLN 540 HA GLN 540 6.521 -1.529 13.164 133 HB2 GLN 540 1HB GLN 540 5.290 -3.668 12.013 134 HB3 GLN 540 2HB GLN 540 6.982 -4.112 11.823 135 HG2 GLN 540 1HG GLN 540 6.895 -4.900 13.890 136 HG3 GLN 540 2HG GLN 540 6.813 -3.227 14.438 137 HE21 GLN 540 1HE2 GLN 540 3.148 -3.411 14.598 138 HE22 GLN 540 2HE2 GLN 540 4.327 -2.460 13.769 139 H VAL 541 H VAL 541 7.573 -1.430 9.939 140 HA VAL 541 HA VAL 541 10.384 -1.590 10.818 141 HB VAL 541 HB VAL 541 9.426 -2.172 8.018 142 HG11 VAL 541 1HG1 VAL 541 12.040 -2.280 9.446 143 HG12 VAL 541 2HG1 VAL 541 11.729 -3.422 8.138 144 HG13 VAL 541 3HG1 VAL 541 11.664 -1.686 7.830 145 HG21 VAL 541 1HG2 VAL 541 9.834 -4.566 8.596 146 HG22 VAL 541 2HG2 VAL 541 9.953 -4.084 10.288 147 HG23 VAL 541 3HG2 VAL 541 8.441 -3.853 9.409 148 H ASP 542 H ASP 542 11.873 -0.170 9.759 149 HA ASP 542 HA ASP 542 10.986 2.467 9.518 150 HB2 ASP 542 1HB ASP 542 13.523 1.289 8.363 151 HB3 ASP 542 2HB ASP 542 13.229 2.987 8.726 152 H GLY 543 H GLY 543 9.637 3.198 8.009 153 HA2 GLY 543 1HA GLY 543 9.487 4.012 5.724 154 HA3 GLY 543 2HA GLY 543 10.215 2.500 5.200 155 H GLU 544 H GLU 544 8.576 0.855 6.961 156 HA GLU 544 HA GLU 544 6.518 0.171 5.261 157 HB2 GLU 544 1HB GLU 544 7.189 -0.396 8.078 158 HB3 GLU 544 2HB GLU 544 5.501 -0.637 7.647 159 HG2 GLU 544 1HG GLU 544 6.430 -1.999 5.669 160 HG3 GLU 544 2HG GLU 544 7.929 -2.029 6.598 161 H ILE 545 H ILE 545 4.193 0.359 5.501 162 HA ILE 545 HA ILE 545 3.323 2.795 6.900 163 HB ILE 545 HB ILE 545 1.692 2.965 4.819 164 HG12 ILE 545 1HG1 ILE 545 4.204 1.783 3.614 165 HG13 ILE 545 2HG1 ILE 545 2.654 0.955 3.723 166 HG21 ILE 545 1HG2 ILE 545 4.520 3.969 4.592 167 HG22 ILE 545 2HG2 ILE 545 3.050 4.718 3.973 168 HG23 ILE 545 3HG2 ILE 545 3.338 4.646 5.711 169 HD11 ILE 545 1HD1 ILE 545 3.258 2.027 1.504 170 HD12 ILE 545 2HD1 ILE 545 1.660 2.384 2.161 171 HD13 ILE 545 3HD1 ILE 545 2.956 3.573 2.297 172 HA PRO 546 HA PRO 546 -0.111 0.470 8.336 173 HB2 PRO 546 1HB PRO 546 -2.094 2.324 8.330 174 HB3 PRO 546 2HB PRO 546 -0.764 2.343 9.495 175 HG2 PRO 546 1HG PRO 546 -1.106 3.937 6.984 176 HG3 PRO 546 2HG PRO 546 -0.528 4.465 8.575 177 HD2 PRO 546 1HD PRO 546 1.151 3.921 6.521 178 HD3 PRO 546 2HD PRO 546 1.594 3.640 8.217 179 H LEU 547 H LEU 547 -2.341 -0.237 7.813 180 HA LEU 547 HA LEU 547 -3.208 0.180 5.069 181 HB2 LEU 547 1HB LEU 547 -2.346 -2.485 6.163 182 HB3 LEU 547 2HB LEU 547 -3.410 -2.328 4.767 183 HG LEU 547 HG LEU 547 -0.684 -1.066 4.828 184 HD11 LEU 547 1HD1 LEU 547 -1.240 -3.845 4.884 185 HD12 LEU 547 2HD1 LEU 547 0.311 -3.036 4.661 186 HD13 LEU 547 3HD1 LEU 547 -0.686 -3.429 3.261 187 HD21 LEU 547 1HD2 LEU 547 -1.062 -0.549 2.678 188 HD22 LEU 547 2HD2 LEU 547 -2.761 -0.774 3.095 189 HD23 LEU 547 3HD2 LEU 547 -1.856 -2.089 2.343 190 H HIS 548 H HIS 548 -5.366 -0.545 4.669 191 HA HIS 548 HA HIS 548 -6.905 -1.467 6.969 192 HB2 HIS 548 1HB HIS 548 -6.802 1.174 6.652 193 HB3 HIS 548 2HB HIS 548 -8.059 0.834 5.466 194 HD1 HIS 548 1HD HIS 548 -10.319 -0.087 6.369 195 HD2 HIS 548 2HD HIS 548 -7.562 0.899 9.315 196 HE1 HIS 548 1HE HIS 548 -11.621 -0.043 8.519 197 H ARG 549 H ARG 549 -8.974 -2.324 6.420 198 HA ARG 549 HA ARG 549 -9.001 -3.619 3.870 199 HB2 ARG 549 1HB ARG 549 -11.251 -3.551 5.880 200 HB3 ARG 549 2HB ARG 549 -10.942 -4.772 4.653 201 HG2 ARG 549 1HG ARG 549 -8.939 -5.479 5.825 202 HG3 ARG 549 2HG ARG 549 -9.185 -4.217 7.035 203 HD2 ARG 549 1HD ARG 549 -11.592 -5.491 7.072 204 HD3 ARG 549 2HD ARG 549 -10.493 -6.826 6.727 205 HE ARG 549 HE ARG 549 -9.624 -5.168 8.903 206 HH11 ARG 549 1HH1 ARG 549 -11.638 -7.857 7.993 207 HH12 ARG 549 2HH1 ARG 549 -11.636 -8.563 9.576 208 HH21 ARG 549 1HH2 ARG 549 -9.612 -6.087 10.990 209 HH22 ARG 549 2HH2 ARG 549 -10.482 -7.555 11.279 210 H GLY 550 H GLY 550 -9.701 -2.735 2.045 211 HA2 GLY 550 1HA GLY 550 -11.495 -1.870 0.722 212 HA3 GLY 550 2HA GLY 550 -12.077 -1.006 2.138 213 H ASP 551 H ASP 551 -8.780 -0.688 2.028 214 HA ASP 551 HA ASP 551 -9.006 2.050 1.096 215 HB2 ASP 551 1HB ASP 551 -7.175 0.531 2.784 216 HB3 ASP 551 2HB ASP 551 -6.327 1.584 1.653 217 H ARG 552 H ARG 552 -8.045 2.908 -0.700 218 HA ARG 552 HA ARG 552 -7.255 0.993 -2.749 219 HB2 ARG 552 1HB ARG 552 -7.524 3.972 -3.101 220 HB3 ARG 552 2HB ARG 552 -7.626 2.716 -4.329 221 HG2 ARG 552 1HG ARG 552 -9.630 3.267 -2.152 222 HG3 ARG 552 2HG ARG 552 -9.819 3.597 -3.874 223 HD2 ARG 552 1HD ARG 552 -9.582 1.161 -4.306 224 HD3 ARG 552 2HD ARG 552 -9.558 0.895 -2.563 225 HE ARG 552 HE ARG 552 -11.847 2.261 -2.907 226 HH11 ARG 552 1HH1 ARG 552 -10.520 -0.536 -4.498 227 HH12 ARG 552 2HH1 ARG 552 -12.069 -1.228 -4.855 228 HH21 ARG 552 1HH2 ARG 552 -13.890 1.360 -3.371 229 HH22 ARG 552 2HH2 ARG 552 -13.984 -0.148 -4.214 230 H VAL 553 H VAL 553 -5.174 0.388 -2.400 231 HA VAL 553 HA VAL 553 -3.146 2.402 -1.841 232 HB VAL 553 HB VAL 553 -2.910 -0.600 -2.090 233 HG11 VAL 553 1HG1 VAL 553 -0.911 1.541 -1.831 234 HG12 VAL 553 2HG1 VAL 553 -0.719 0.188 -0.714 235 HG13 VAL 553 3HG1 VAL 553 -0.745 -0.100 -2.454 236 HG21 VAL 553 1HG2 VAL 553 -3.755 1.130 0.051 237 HG22 VAL 553 2HG2 VAL 553 -3.739 -0.631 -0.025 238 HG23 VAL 553 3HG2 VAL 553 -2.300 0.241 0.504 239 H LYS 554 H LYS 554 -1.529 2.998 -3.217 240 HA LYS 554 HA LYS 554 -1.772 2.045 -5.993 241 HB2 LYS 554 1HB LYS 554 -2.191 4.518 -5.390 242 HB3 LYS 554 2HB LYS 554 -0.449 4.618 -5.169 243 HG2 LYS 554 1HG LYS 554 -0.024 4.177 -7.432 244 HG3 LYS 554 2HG LYS 554 -1.667 3.597 -7.713 245 HD2 LYS 554 1HD LYS 554 -1.391 5.813 -8.660 246 HD3 LYS 554 2HD LYS 554 -2.515 5.873 -7.300 247 HE2 LYS 554 1HE LYS 554 -1.031 7.750 -7.145 248 HE3 LYS 554 2HE LYS 554 -0.634 6.616 -5.856 249 HZ1 LYS 554 1HZ LYS 554 0.949 7.458 -8.122 250 HZ2 LYS 554 2HZ LYS 554 0.988 5.794 -7.822 251 HZ3 LYS 554 3HZ LYS 554 1.443 6.882 -6.609 252 H VAL 555 H VAL 555 -0.216 0.709 -6.607 253 HA VAL 555 HA VAL 555 2.250 0.480 -5.144 254 HB VAL 555 HB VAL 555 1.369 -0.883 -7.694 255 HG11 VAL 555 1HG1 VAL 555 3.666 -1.519 -5.845 256 HG12 VAL 555 2HG1 VAL 555 3.167 -2.474 -7.241 257 HG13 VAL 555 3HG1 VAL 555 3.800 -0.844 -7.469 258 HG21 VAL 555 1HG2 VAL 555 1.265 -1.739 -4.806 259 HG22 VAL 555 2HG2 VAL 555 -0.095 -1.488 -5.901 260 HG23 VAL 555 3HG2 VAL 555 1.016 -2.831 -6.168 261 H LEU 556 H LEU 556 4.313 0.969 -5.839 262 HA LEU 556 HA LEU 556 4.509 2.604 -8.281 263 HB2 LEU 556 1HB LEU 556 6.140 3.041 -5.793 264 HB3 LEU 556 2HB LEU 556 6.028 4.082 -7.210 265 HG LEU 556 HG LEU 556 3.628 3.572 -5.488 266 HD11 LEU 556 1HD1 LEU 556 5.337 5.963 -5.021 267 HD12 LEU 556 2HD1 LEU 556 5.774 4.440 -4.248 268 HD13 LEU 556 3HD1 LEU 556 4.193 5.161 -3.944 269 HD21 LEU 556 1HD2 LEU 556 4.277 6.128 -6.868 270 HD22 LEU 556 2HD2 LEU 556 2.711 5.379 -6.551 271 HD23 LEU 556 3HD2 LEU 556 3.743 4.755 -7.838 272 H SER 557 H SER 557 6.226 0.510 -6.002 273 HA SER 557 HA SER 557 7.738 -0.637 -8.190 274 HB2 SER 557 1HB SER 557 9.387 0.930 -7.805 275 HB3 SER 557 2HB SER 557 8.968 1.107 -6.100 276 HG SER 557 HG SER 557 10.668 -0.694 -7.337 277 H ILE 558 H ILE 558 8.674 -2.652 -7.684 278 HA ILE 558 HA ILE 558 7.263 -4.162 -5.752 279 HB ILE 558 HB ILE 558 9.792 -4.920 -7.219 280 HG12 ILE 558 1HG1 ILE 558 7.911 -4.244 -8.707 281 HG13 ILE 558 2HG1 ILE 558 8.358 -5.937 -8.881 282 HG21 ILE 558 1HG2 ILE 558 8.455 -7.227 -6.848 283 HG22 ILE 558 2HG2 ILE 558 9.684 -6.620 -5.739 284 HG23 ILE 558 3HG2 ILE 558 7.977 -6.353 -5.393 285 HD11 ILE 558 1HD1 ILE 558 6.286 -5.580 -6.901 286 HD12 ILE 558 2HD1 ILE 558 5.822 -4.925 -8.471 287 HD13 ILE 558 3HD1 ILE 558 6.322 -6.611 -8.332 288 H GLY 559 H GLY 559 7.955 -5.115 -3.831 289 HA2 GLY 559 1HA GLY 559 10.085 -3.636 -2.477 290 HA3 GLY 559 2HA GLY 559 8.863 -4.634 -1.705 291 H GLU 560 H GLU 560 10.112 -5.992 -0.529 292 HA GLU 560 HA GLU 560 11.754 -7.880 -2.043 293 HB2 GLU 560 1HB GLU 560 13.501 -7.780 -0.238 294 HB3 GLU 560 2HB GLU 560 13.407 -6.350 -1.258 295 HG2 GLU 560 1HG GLU 560 11.980 -5.306 0.530 296 HG3 GLU 560 2HG GLU 560 12.402 -6.678 1.554 297 H GLY 561 H GLY 561 11.144 -9.880 -1.565 298 HA2 GLY 561 1HA GLY 561 10.512 -11.717 -0.318 299 HA3 GLY 561 2HA GLY 561 10.713 -10.745 1.132 300 H GLY 562 H GLY 562 8.550 -10.678 -1.710 301 HA2 GLY 562 1HA GLY 562 6.249 -10.723 -1.828 302 HA3 GLY 562 2HA GLY 562 6.230 -11.254 -0.152 303 H PHE 563 H PHE 563 7.988 -8.394 -0.662 304 HA PHE 563 HA PHE 563 5.870 -6.861 0.641 305 HB2 PHE 563 1HB PHE 563 8.783 -6.805 0.646 306 HB3 PHE 563 2HB PHE 563 8.089 -5.204 0.407 307 HD1 PHE 563 1HD PHE 563 8.864 -7.767 2.765 308 HD2 PHE 563 2HD PHE 563 6.360 -4.393 2.082 309 HE1 PHE 563 1HE PHE 563 8.441 -7.597 5.182 310 HE2 PHE 563 2HE PHE 563 5.934 -4.216 4.498 311 HZ PHE 563 HZ PHE 563 6.975 -5.818 6.052 312 H TRP 564 H TRP 564 5.918 -4.424 -0.034 313 HA TRP 564 HA TRP 564 6.277 -4.036 -2.890 314 HB2 TRP 564 1HB TRP 564 3.756 -4.776 -1.862 315 HB3 TRP 564 2HB TRP 564 3.655 -3.055 -2.225 316 HD1 TRP 564 HD TRP 564 5.592 -3.164 -4.830 317 HE1 TRP 564 1HE TRP 564 4.643 -4.158 -7.007 318 HE3 TRP 564 3HE TRP 564 1.753 -5.908 -2.862 319 HZ2 TRP 564 2HZ TRP 564 2.544 -5.877 -7.787 320 HZ3 TRP 564 3HZ TRP 564 0.321 -7.199 -4.392 321 HH2 TRP 564 HH TRP 564 0.709 -7.181 -6.802 322 H GLU 565 H GLU 565 6.059 -1.797 -3.539 323 HA GLU 565 HA GLU 565 6.287 0.080 -1.278 324 HB2 GLU 565 1HB GLU 565 8.360 -0.592 -2.886 325 HB3 GLU 565 2HB GLU 565 7.696 0.764 -3.785 326 HG2 GLU 565 1HG GLU 565 7.846 2.138 -1.730 327 HG3 GLU 565 2HG GLU 565 8.638 0.782 -0.928 328 H GLY 566 H GLY 566 4.581 1.383 -1.271 329 HA2 GLY 566 1HA GLY 566 3.893 2.888 -3.634 330 HA3 GLY 566 2HA GLY 566 2.654 1.742 -3.146 331 H SER 567 H SER 567 1.264 3.576 -2.832 332 HA SER 567 HA SER 567 1.774 4.933 -0.267 333 HB2 SER 567 1HB SER 567 0.301 6.119 -2.630 334 HB3 SER 567 2HB SER 567 0.680 6.927 -1.110 335 HG SER 567 HG SER 567 2.259 6.490 -3.309 336 H ALA 568 H ALA 568 0.113 5.023 1.178 337 HA ALA 568 HA ALA 568 -2.590 4.373 0.425 338 HB1 ALA 568 1HB ALA 568 -1.251 2.168 0.706 339 HB2 ALA 568 2HB ALA 568 -1.391 2.509 2.431 340 HB3 ALA 568 3HB ALA 568 -2.844 2.317 1.450 341 H ARG 569 H ARG 569 -4.063 5.123 1.883 342 HA ARG 569 HA ARG 569 -4.905 6.280 3.651 343 HB2 ARG 569 1HB ARG 569 -3.622 4.287 4.812 344 HB3 ARG 569 2HB ARG 569 -2.550 5.573 5.351 345 HG2 ARG 569 1HG ARG 569 -5.355 6.213 5.758 346 HG3 ARG 569 2HG ARG 569 -4.854 4.745 6.600 347 HD2 ARG 569 1HD ARG 569 -2.843 6.137 7.393 348 HD3 ARG 569 2HD ARG 569 -3.788 7.535 6.879 349 HE ARG 569 HE ARG 569 -5.208 5.746 8.628 350 HH11 ARG 569 1HH1 ARG 569 -3.051 8.472 8.446 351 HH12 ARG 569 2HH1 ARG 569 -3.474 9.078 10.012 352 HH21 ARG 569 1HH2 ARG 569 -5.774 6.533 10.693 353 HH22 ARG 569 2HH2 ARG 569 -5.022 7.974 11.290 354 H GLY 570 H GLY 570 -3.262 7.646 1.793 355 HA2 GLY 570 1HA GLY 570 -2.399 9.764 1.541 356 HA3 GLY 570 2HA GLY 570 -2.794 10.053 3.229 357 H HIS 571 H HIS 571 -0.818 7.329 2.597 358 HA HIS 571 HA HIS 571 1.587 8.870 3.318 359 HB2 HIS 571 1HB HIS 571 0.449 6.405 4.552 360 HB3 HIS 571 2HB HIS 571 2.201 6.543 4.452 361 HD1 HIS 571 1HD HIS 571 2.867 7.085 6.786 362 HD2 HIS 571 2HD HIS 571 -0.321 9.411 5.487 363 HE1 HIS 571 1HE HIS 571 2.466 8.758 8.619 364 H ILE 572 H ILE 572 3.628 7.535 2.903 365 HA ILE 572 HA ILE 572 3.349 5.777 0.576 366 HB ILE 572 HB ILE 572 5.320 8.062 0.610 367 HG12 ILE 572 1HG1 ILE 572 3.684 8.713 -1.406 368 HG13 ILE 572 2HG1 ILE 572 2.518 7.887 -0.377 369 HG21 ILE 572 1HG2 ILE 572 6.285 6.939 -1.042 370 HG22 ILE 572 2HG2 ILE 572 5.039 5.695 -0.971 371 HG23 ILE 572 3HG2 ILE 572 4.807 7.117 -1.987 372 HD11 ILE 572 1HD1 ILE 572 2.304 9.719 0.833 373 HD12 ILE 572 2HD1 ILE 572 4.016 9.649 1.254 374 HD13 ILE 572 3HD1 ILE 572 3.496 10.534 -0.179 375 H GLY 573 H GLY 573 4.456 3.977 0.939 376 HA2 GLY 573 1HA GLY 573 7.165 3.927 1.734 377 HA3 GLY 573 2HA GLY 573 6.150 3.562 3.121 378 H TRP 574 H TRP 574 7.008 1.457 3.245 379 HA TRP 574 HA TRP 574 6.422 -0.334 1.003 380 HB2 TRP 574 1HB TRP 574 8.307 -0.383 3.292 381 HB3 TRP 574 2HB TRP 574 7.657 -1.939 2.778 382 HD1 TRP 574 HD TRP 574 8.139 -2.610 0.139 383 HE1 TRP 574 1HE TRP 574 10.178 -2.064 -1.334 384 HE3 TRP 574 3HE TRP 574 10.069 1.281 2.834 385 HZ2 TRP 574 2HZ TRP 574 12.322 -0.227 -1.350 386 HZ3 TRP 574 3HZ TRP 574 12.116 2.378 2.023 387 HH2 TRP 574 HH TRP 574 13.218 1.638 -0.027 388 H PHE 575 H PHE 575 5.454 -2.447 1.469 389 HA PHE 575 HA PHE 575 4.049 -2.925 3.888 390 HB2 PHE 575 1HB PHE 575 1.760 -2.650 3.073 391 HB3 PHE 575 2HB PHE 575 2.624 -1.118 3.016 392 HD1 PHE 575 1HD PHE 575 2.944 0.034 0.983 393 HD2 PHE 575 2HD PHE 575 1.386 -3.927 0.969 394 HE1 PHE 575 1HE PHE 575 2.366 0.274 -1.396 395 HE2 PHE 575 2HE PHE 575 0.806 -3.694 -1.410 396 HZ PHE 575 HZ PHE 575 1.296 -1.591 -2.597 397 HA PRO 576 HA PRO 576 4.041 -6.996 2.246 398 HB2 PRO 576 1HB PRO 576 1.930 -8.086 3.560 399 HB3 PRO 576 2HB PRO 576 3.466 -7.714 4.353 400 HG2 PRO 576 1HG PRO 576 0.916 -6.146 4.332 401 HG3 PRO 576 2HG PRO 576 2.013 -6.480 5.684 402 HD2 PRO 576 1HD PRO 576 2.017 -4.122 4.353 403 HD3 PRO 576 2HD PRO 576 3.487 -4.820 5.062 404 H ALA 577 H ALA 577 3.372 -7.807 0.365 405 HA ALA 577 HA ALA 577 1.234 -6.698 -1.102 406 HB1 ALA 577 1HB ALA 577 2.615 -9.330 -1.599 407 HB2 ALA 577 2HB ALA 577 1.716 -8.363 -2.770 408 HB3 ALA 577 3HB ALA 577 3.235 -7.760 -2.107 409 H GLU 578 H GLU 578 1.449 -9.418 1.067 410 HA GLU 578 HA GLU 578 -0.881 -10.788 0.274 411 HB2 GLU 578 1HB GLU 578 -0.803 -11.750 2.593 412 HB3 GLU 578 2HB GLU 578 0.687 -11.916 1.675 413 HG2 GLU 578 1HG GLU 578 1.812 -10.364 2.960 414 HG3 GLU 578 2HG GLU 578 0.326 -9.601 3.522 415 H CYS 579 H CYS 579 -0.467 -7.797 1.819 416 HA CYS 579 HA CYS 579 -3.044 -7.848 3.162 417 HB2 CYS 579 1HB CYS 579 -0.678 -6.072 3.153 418 HB3 CYS 579 2HB CYS 579 -2.229 -5.275 3.385 419 HG CYS 579 HG CYS 579 -0.568 -6.161 5.758 420 H VAL 580 H VAL 580 -1.777 -7.032 0.117 421 HA VAL 580 HA VAL 580 -4.141 -5.388 -0.507 422 HB VAL 580 HB VAL 580 -2.784 -4.717 -2.561 423 HG11 VAL 580 1HG1 VAL 580 -1.505 -3.829 0.004 424 HG12 VAL 580 2HG1 VAL 580 -1.847 -2.888 -1.449 425 HG13 VAL 580 3HG1 VAL 580 -3.167 -3.396 -0.394 426 HG21 VAL 580 1HG2 VAL 580 -0.476 -5.713 -0.900 427 HG22 VAL 580 2HG2 VAL 580 -1.130 -6.577 -2.291 428 HG23 VAL 580 3HG2 VAL 580 -0.411 -4.982 -2.503 429 H GLU 581 H GLU 581 -5.247 -5.760 -2.481 430 HA GLU 581 HA GLU 581 -4.626 -8.214 -3.931 431 HB2 GLU 581 1HB GLU 581 -6.166 -8.852 -2.086 432 HB3 GLU 581 2HB GLU 581 -7.348 -7.715 -2.717 433 HG2 GLU 581 1HG GLU 581 -7.661 -8.982 -4.684 434 HG3 GLU 581 2HG GLU 581 -6.249 -9.982 -4.348 435 H GLU 582 H GLU 582 -5.353 -8.239 -6.039 436 HA GLU 582 HA GLU 582 -5.783 -5.751 -7.283 437 HB2 GLU 582 1HB GLU 582 -5.949 -8.600 -8.207 438 HB3 GLU 582 2HB GLU 582 -6.456 -7.295 -9.271 439 HG2 GLU 582 1HG GLU 582 -4.126 -6.291 -8.694 440 HG3 GLU 582 2HG GLU 582 -3.738 -7.949 -8.241 441 H VAL 583 H VAL 583 -7.607 -4.887 -8.304 442 HA VAL 583 HA VAL 583 -10.025 -5.081 -6.918 443 HB VAL 583 HB VAL 583 -11.008 -3.728 -8.677 444 HG11 VAL 583 1HG1 VAL 583 -8.254 -2.628 -8.568 445 HG12 VAL 583 2HG1 VAL 583 -9.801 -1.847 -8.237 446 HG13 VAL 583 3HG1 VAL 583 -9.082 -2.924 -7.039 447 HG21 VAL 583 1HG2 VAL 583 -9.662 -3.157 -10.695 448 HG22 VAL 583 2HG2 VAL 583 -8.519 -4.419 -10.235 449 HG23 VAL 583 3HG2 VAL 583 -10.184 -4.841 -10.638 450 H GLN 584 H GLN 584 -12.098 -5.843 -7.625 451 HA GLN 584 HA GLN 584 -11.902 -8.198 -9.385 452 HB2 GLN 584 1HB GLN 584 -13.948 -7.779 -7.207 453 HB3 GLN 584 2HB GLN 584 -13.602 -9.262 -8.086 454 HG2 GLN 584 1HG GLN 584 -12.494 -9.723 -6.170 455 HG3 GLN 584 2HG GLN 584 -11.203 -8.889 -7.035 456 HE21 GLN 584 1HE2 GLN 584 -11.115 -7.375 -3.775 457 HE22 GLN 584 2HE2 GLN 584 -10.659 -8.830 -4.585 458 H SER 585 H SER 585 -12.756 -7.780 -11.310 459 HA SER 585 HA SER 585 -14.836 -5.787 -11.621 460 HB2 SER 585 1HB SER 585 -12.836 -6.192 -13.212 461 HB3 SER 585 2HB SER 585 -13.785 -7.547 -13.826 462 HG SER 585 HG SER 585 -14.037 -4.932 -14.367 Start of MODEL 10 1 H1 MET 525 H MET 525 4.866 -10.236 -15.361 2 HA MET 525 HA MET 525 3.447 -8.408 -14.065 3 HB2 MET 525 1HB MET 525 5.562 -10.232 -12.949 4 HB3 MET 525 2HB MET 525 4.594 -9.209 -11.896 5 HG2 MET 525 1HG MET 525 2.556 -10.261 -12.813 6 HG3 MET 525 2HG MET 525 3.578 -11.340 -13.759 7 HE1 MET 525 1HE MET 525 1.509 -12.702 -10.690 8 HE2 MET 525 2HE MET 525 1.497 -12.363 -12.420 9 HE3 MET 525 3HE MET 525 2.276 -13.825 -11.814 10 H VAL 526 H VAL 526 3.851 -6.264 -14.327 11 HA VAL 526 HA VAL 526 6.324 -5.236 -13.097 12 HB VAL 526 HB VAL 526 6.041 -3.266 -14.713 13 HG11 VAL 526 1HG1 VAL 526 7.639 -4.171 -16.050 14 HG12 VAL 526 2HG1 VAL 526 7.631 -5.403 -14.788 15 HG13 VAL 526 3HG1 VAL 526 6.747 -5.673 -16.290 16 HG21 VAL 526 1HG2 VAL 526 4.637 -3.381 -16.486 17 HG22 VAL 526 2HG2 VAL 526 4.767 -5.135 -16.618 18 HG23 VAL 526 3HG2 VAL 526 3.720 -4.418 -15.393 19 HA PRO 527 HA PRO 527 3.821 -2.692 -10.540 20 HB2 PRO 527 1HB PRO 527 5.370 -0.475 -10.302 21 HB3 PRO 527 2HB PRO 527 5.761 -2.009 -9.516 22 HG2 PRO 527 1HG PRO 527 6.847 -0.849 -12.053 23 HG3 PRO 527 2HG PRO 527 7.709 -1.672 -10.740 24 HD2 PRO 527 1HD PRO 527 7.050 -2.915 -13.054 25 HD3 PRO 527 2HD PRO 527 7.122 -3.768 -11.499 26 H GLY 528 H GLY 528 3.186 -0.196 -10.372 27 HA2 GLY 528 1HA GLY 528 2.417 1.742 -11.466 28 HA3 GLY 528 2HA GLY 528 2.722 0.963 -13.012 29 H ARG 529 H ARG 529 0.980 -0.697 -10.500 30 HA ARG 529 HA ARG 529 -1.500 -0.340 -12.052 31 HB2 ARG 529 1HB ARG 529 -0.442 -2.759 -10.595 32 HB3 ARG 529 2HB ARG 529 -2.121 -2.617 -11.101 33 HG2 ARG 529 1HG ARG 529 0.103 -2.274 -13.072 34 HG3 ARG 529 2HG ARG 529 -0.467 -3.880 -12.611 35 HD2 ARG 529 1HD ARG 529 -2.704 -3.339 -13.339 36 HD3 ARG 529 2HD ARG 529 -2.225 -1.677 -13.682 37 HE ARG 529 HE ARG 529 -1.870 -3.941 -15.374 38 HH11 ARG 529 1HH1 ARG 529 -0.451 -0.901 -14.445 39 HH12 ARG 529 2HH1 ARG 529 0.372 -0.674 -15.953 40 HH21 ARG 529 1HH2 ARG 529 -0.792 -3.654 -17.363 41 HH22 ARG 529 2HH2 ARG 529 0.175 -2.242 -17.613 42 H LEU 530 H LEU 530 -3.431 -1.172 -10.535 43 HA LEU 530 HA LEU 530 -3.202 0.404 -8.058 44 HB2 LEU 530 1HB LEU 530 -5.487 -0.103 -9.929 45 HB3 LEU 530 2HB LEU 530 -5.771 0.413 -8.267 46 HG LEU 530 HG LEU 530 -4.297 2.416 -8.796 47 HD11 LEU 530 1HD1 LEU 530 -4.762 2.674 -11.509 48 HD12 LEU 530 2HD1 LEU 530 -4.203 1.012 -11.331 49 HD13 LEU 530 3HD1 LEU 530 -3.211 2.343 -10.737 50 HD21 LEU 530 1HD2 LEU 530 -6.166 3.548 -10.065 51 HD22 LEU 530 2HD2 LEU 530 -6.623 2.756 -8.558 52 HD23 LEU 530 3HD2 LEU 530 -6.971 1.980 -10.104 53 H PHE 531 H PHE 531 -3.878 -0.444 -6.128 54 HA PHE 531 HA PHE 531 -4.978 -3.161 -6.124 55 HB2 PHE 531 1HB PHE 531 -2.454 -2.236 -4.779 56 HB3 PHE 531 2HB PHE 531 -3.386 -3.575 -4.115 57 HD1 PHE 531 1HD PHE 531 -3.178 -5.730 -4.989 58 HD2 PHE 531 2HD PHE 531 -1.625 -2.415 -7.162 59 HE1 PHE 531 1HE PHE 531 -2.072 -7.275 -6.552 60 HE2 PHE 531 2HE PHE 531 -0.519 -3.955 -8.728 61 HZ PHE 531 HZ PHE 531 -0.741 -6.389 -8.425 62 H VAL 532 H VAL 532 -5.843 -3.790 -3.982 63 HA VAL 532 HA VAL 532 -6.673 -1.466 -2.376 64 HB VAL 532 HB VAL 532 -8.591 -1.949 -3.691 65 HG11 VAL 532 1HG1 VAL 532 -9.437 -4.506 -3.236 66 HG12 VAL 532 2HG1 VAL 532 -8.600 -3.956 -4.688 67 HG13 VAL 532 3HG1 VAL 532 -7.693 -4.715 -3.380 68 HG21 VAL 532 1HG2 VAL 532 -10.172 -2.221 -2.040 69 HG22 VAL 532 2HG2 VAL 532 -9.259 -3.492 -1.225 70 HG23 VAL 532 3HG2 VAL 532 -8.748 -1.810 -1.084 71 H ALA 533 H ALA 533 -6.266 -1.700 -0.281 72 HA ALA 533 HA ALA 533 -5.115 -4.068 0.770 73 HB1 ALA 533 1HB ALA 533 -4.370 -2.136 1.806 74 HB2 ALA 533 2HB ALA 533 -5.995 -1.468 1.960 75 HB3 ALA 533 3HB ALA 533 -5.488 -2.803 2.995 76 H ILE 534 H ILE 534 -6.064 -5.826 1.554 77 HA ILE 534 HA ILE 534 -8.931 -5.697 2.207 78 HB ILE 534 HB ILE 534 -8.916 -8.169 1.897 79 HG12 ILE 534 1HG1 ILE 534 -6.299 -7.928 0.473 80 HG13 ILE 534 2HG1 ILE 534 -6.290 -8.128 2.221 81 HG21 ILE 534 1HG2 ILE 534 -8.709 -6.120 -0.098 82 HG22 ILE 534 2HG2 ILE 534 -8.058 -7.636 -0.720 83 HG23 ILE 534 3HG2 ILE 534 -9.705 -7.576 -0.091 84 HD11 ILE 534 1HD1 ILE 534 -6.896 -10.280 2.102 85 HD12 ILE 534 2HD1 ILE 534 -8.013 -10.002 0.765 86 HD13 ILE 534 3HD1 ILE 534 -6.284 -10.159 0.452 87 H LYS 535 H LYS 535 -5.835 -6.117 3.541 88 HA LYS 535 HA LYS 535 -7.036 -7.030 6.069 89 HB2 LYS 535 1HB LYS 535 -4.318 -7.821 5.003 90 HB3 LYS 535 2HB LYS 535 -4.993 -8.293 6.557 91 HG2 LYS 535 1HG LYS 535 -6.504 -8.949 4.078 92 HG3 LYS 535 2HG LYS 535 -5.081 -9.906 4.496 93 HD2 LYS 535 1HD LYS 535 -7.211 -9.376 6.533 94 HD3 LYS 535 2HD LYS 535 -7.408 -10.667 5.344 95 HE2 LYS 535 1HE LYS 535 -4.904 -10.455 6.972 96 HE3 LYS 535 2HE LYS 535 -6.347 -11.214 7.643 97 HZ1 LYS 535 1HZ LYS 535 -4.468 -12.264 5.793 98 HZ2 LYS 535 2HZ LYS 535 -6.027 -12.310 5.138 99 HZ3 LYS 535 3HZ LYS 535 -5.711 -13.059 6.621 100 HA PRO 536 HA PRO 536 -5.256 -3.270 7.587 101 HB2 PRO 536 1HB PRO 536 -5.704 -3.734 10.224 102 HB3 PRO 536 2HB PRO 536 -6.983 -3.255 9.102 103 HG2 PRO 536 1HG PRO 536 -6.282 -5.980 10.126 104 HG3 PRO 536 2HG PRO 536 -7.880 -5.240 9.918 105 HD2 PRO 536 1HD PRO 536 -6.849 -7.004 8.141 106 HD3 PRO 536 2HD PRO 536 -7.930 -5.681 7.656 107 H TYR 537 H TYR 537 -3.349 -2.587 8.513 108 HA TYR 537 HA TYR 537 -1.700 -4.321 10.090 109 HB2 TYR 537 1HB TYR 537 -1.461 -4.730 7.394 110 HB3 TYR 537 2HB TYR 537 -0.203 -3.534 7.686 111 HD1 TYR 537 1HD TYR 537 -1.477 -6.762 9.069 112 HD2 TYR 537 2HD TYR 537 1.890 -4.263 8.350 113 HE1 TYR 537 1HE TYR 537 0.010 -8.538 9.895 114 HE2 TYR 537 2HE TYR 537 3.386 -6.033 9.173 115 HH TYR 537 HH TYR 537 2.251 -8.770 10.842 116 H GLN 538 H GLN 538 0.177 -3.262 10.917 117 HA GLN 538 HA GLN 538 0.120 -0.337 10.566 118 HB2 GLN 538 1HB GLN 538 0.153 -2.020 12.988 119 HB3 GLN 538 2HB GLN 538 1.260 -0.655 13.012 120 HG2 GLN 538 1HG GLN 538 -0.989 -0.217 13.999 121 HG3 GLN 538 2HG GLN 538 -0.503 0.898 12.724 122 HE21 GLN 538 1HE2 GLN 538 -3.414 0.377 10.968 123 HE22 GLN 538 2HE2 GLN 538 -2.133 1.420 11.474 124 HA PRO 539 HA PRO 539 4.382 -0.358 9.528 125 HB2 PRO 539 1HB PRO 539 5.294 1.874 10.774 126 HB3 PRO 539 2HB PRO 539 4.251 1.927 9.348 127 HG2 PRO 539 1HG PRO 539 3.531 2.245 12.236 128 HG3 PRO 539 2HG PRO 539 2.971 3.176 10.835 129 HD2 PRO 539 1HD PRO 539 1.487 1.215 11.967 130 HD3 PRO 539 2HD PRO 539 1.426 1.576 10.229 131 H GLN 540 H GLN 540 5.860 -1.732 10.278 132 HA GLN 540 HA GLN 540 6.650 -1.545 13.107 133 HB2 GLN 540 1HB GLN 540 6.206 -4.043 11.470 134 HB3 GLN 540 2HB GLN 540 7.025 -4.031 13.026 135 HG2 GLN 540 1HG GLN 540 4.224 -3.021 12.626 136 HG3 GLN 540 2HG GLN 540 4.607 -4.682 13.073 137 HE21 GLN 540 1HE2 GLN 540 4.280 -1.928 15.884 138 HE22 GLN 540 2HE2 GLN 540 3.702 -1.782 14.263 139 H VAL 541 H VAL 541 7.648 -0.926 10.131 140 HA VAL 541 HA VAL 541 10.447 -1.408 10.812 141 HB VAL 541 HB VAL 541 9.417 -2.085 8.061 142 HG11 VAL 541 1HG1 VAL 541 11.634 -1.767 7.720 143 HG12 VAL 541 2HG1 VAL 541 12.050 -2.068 9.408 144 HG13 VAL 541 3HG1 VAL 541 11.722 -3.421 8.324 145 HG21 VAL 541 1HG2 VAL 541 9.946 -3.921 10.394 146 HG22 VAL 541 2HG2 VAL 541 8.418 -3.681 9.546 147 HG23 VAL 541 3HG2 VAL 541 9.768 -4.464 8.726 148 H ASP 542 H ASP 542 11.930 -0.053 9.675 149 HA ASP 542 HA ASP 542 11.033 2.580 9.301 150 HB2 ASP 542 1HB ASP 542 13.340 2.048 9.934 151 HB3 ASP 542 2HB ASP 542 13.607 1.295 8.364 152 H GLY 543 H GLY 543 9.733 3.232 7.716 153 HA2 GLY 543 1HA GLY 543 9.637 3.913 5.389 154 HA3 GLY 543 2HA GLY 543 10.384 2.379 4.968 155 H GLU 544 H GLU 544 8.577 1.035 6.992 156 HA GLU 544 HA GLU 544 6.569 0.230 5.185 157 HB2 GLU 544 1HB GLU 544 7.237 -0.310 8.020 158 HB3 GLU 544 2HB GLU 544 5.570 -0.607 7.546 159 HG2 GLU 544 1HG GLU 544 6.478 -2.007 5.660 160 HG3 GLU 544 2HG GLU 544 8.057 -1.868 6.431 161 H ILE 545 H ILE 545 4.231 0.385 5.524 162 HA ILE 545 HA ILE 545 3.383 2.825 6.919 163 HB ILE 545 HB ILE 545 1.742 3.039 4.859 164 HG12 ILE 545 1HG1 ILE 545 4.218 1.835 3.604 165 HG13 ILE 545 2HG1 ILE 545 2.662 1.024 3.733 166 HG21 ILE 545 1HG2 ILE 545 4.568 4.007 4.539 167 HG22 ILE 545 2HG2 ILE 545 3.073 4.803 4.052 168 HG23 ILE 545 3HG2 ILE 545 3.478 4.658 5.762 169 HD11 ILE 545 1HD1 ILE 545 3.509 2.473 1.597 170 HD12 ILE 545 2HD1 ILE 545 1.825 2.110 1.975 171 HD13 ILE 545 3HD1 ILE 545 2.528 3.650 2.467 172 HA PRO 546 HA PRO 546 -0.049 0.492 8.343 173 HB2 PRO 546 1HB PRO 546 -2.034 2.343 8.353 174 HB3 PRO 546 2HB PRO 546 -0.703 2.356 9.516 175 HG2 PRO 546 1HG PRO 546 -1.052 3.966 7.016 176 HG3 PRO 546 2HG PRO 546 -0.471 4.485 8.609 177 HD2 PRO 546 1HD PRO 546 1.204 3.956 6.549 178 HD3 PRO 546 2HD PRO 546 1.652 3.665 8.241 179 H LEU 547 H LEU 547 -2.313 -0.169 7.828 180 HA LEU 547 HA LEU 547 -3.158 0.240 5.077 181 HB2 LEU 547 1HB LEU 547 -2.315 -2.421 6.190 182 HB3 LEU 547 2HB LEU 547 -3.408 -2.279 4.814 183 HG LEU 547 HG LEU 547 -0.667 -1.043 4.806 184 HD11 LEU 547 1HD1 LEU 547 -0.735 -3.410 3.248 185 HD12 LEU 547 2HD1 LEU 547 -1.267 -3.815 4.880 186 HD13 LEU 547 3HD1 LEU 547 0.293 -3.031 4.631 187 HD21 LEU 547 1HD2 LEU 547 -1.083 -0.529 2.663 188 HD22 LEU 547 2HD2 LEU 547 -2.776 -0.725 3.118 189 HD23 LEU 547 3HD2 LEU 547 -1.908 -2.056 2.351 190 H HIS 548 H HIS 548 -5.329 -0.393 4.680 191 HA HIS 548 HA HIS 548 -6.895 -1.319 6.961 192 HB2 HIS 548 1HB HIS 548 -6.720 1.326 6.684 193 HB3 HIS 548 2HB HIS 548 -7.992 1.035 5.502 194 HD1 HIS 548 1HD HIS 548 -7.269 0.698 9.182 195 HD2 HIS 548 2HD HIS 548 -10.484 0.488 6.560 196 HE1 HIS 548 1HE HIS 548 -9.318 0.606 10.637 197 H ARG 549 H ARG 549 -8.981 -2.118 6.394 198 HA ARG 549 HA ARG 549 -9.041 -3.395 3.848 199 HB2 ARG 549 1HB ARG 549 -11.201 -3.191 5.955 200 HB3 ARG 549 2HB ARG 549 -11.203 -4.299 4.590 201 HG2 ARG 549 1HG ARG 549 -8.970 -5.146 5.561 202 HG3 ARG 549 2HG ARG 549 -9.486 -4.328 7.036 203 HD2 ARG 549 1HD ARG 549 -10.119 -6.696 7.037 204 HD3 ARG 549 2HD ARG 549 -11.529 -5.640 7.075 205 HE ARG 549 HE ARG 549 -10.842 -6.396 4.415 206 HH11 ARG 549 1HH1 ARG 549 -12.419 -7.497 7.318 207 HH12 ARG 549 2HH1 ARG 549 -13.466 -8.601 6.487 208 HH21 ARG 549 1HH2 ARG 549 -12.214 -7.846 3.310 209 HH22 ARG 549 2HH2 ARG 549 -13.346 -8.799 4.207 210 H GLY 550 H GLY 550 -9.617 -2.460 2.006 211 HA2 GLY 550 1HA GLY 550 -11.334 -1.516 0.628 212 HA3 GLY 550 2HA GLY 550 -11.915 -0.623 2.025 213 H ASP 551 H ASP 551 -8.603 -0.469 2.010 214 HA ASP 551 HA ASP 551 -8.660 2.278 1.092 215 HB2 ASP 551 1HB ASP 551 -6.994 0.681 2.837 216 HB3 ASP 551 2HB ASP 551 -6.012 1.578 1.682 217 H ARG 552 H ARG 552 -7.986 2.993 -0.828 218 HA ARG 552 HA ARG 552 -7.136 1.083 -2.818 219 HB2 ARG 552 1HB ARG 552 -7.970 3.947 -2.817 220 HB3 ARG 552 2HB ARG 552 -7.008 3.364 -4.168 221 HG2 ARG 552 1HG ARG 552 -9.392 3.261 -4.653 222 HG3 ARG 552 2HG ARG 552 -8.669 1.650 -4.634 223 HD2 ARG 552 1HD ARG 552 -10.800 1.614 -3.487 224 HD3 ARG 552 2HD ARG 552 -9.493 1.331 -2.339 225 HE ARG 552 HE ARG 552 -10.093 3.249 -1.254 226 HH11 ARG 552 1HH1 ARG 552 -11.460 3.294 -4.456 227 HH12 ARG 552 2HH1 ARG 552 -12.386 4.732 -4.182 228 HH21 ARG 552 1HH2 ARG 552 -11.306 5.144 -0.881 229 HH22 ARG 552 2HH2 ARG 552 -12.297 5.785 -2.149 230 H VAL 553 H VAL 553 -5.072 0.420 -2.517 231 HA VAL 553 HA VAL 553 -2.979 2.354 -1.928 232 HB VAL 553 HB VAL 553 -2.853 -0.645 -2.281 233 HG11 VAL 553 1HG1 VAL 553 -0.679 -0.243 -2.679 234 HG12 VAL 553 2HG1 VAL 553 -0.762 1.403 -2.050 235 HG13 VAL 553 3HG1 VAL 553 -0.594 0.042 -0.941 236 HG21 VAL 553 1HG2 VAL 553 -3.390 1.126 -0.010 237 HG22 VAL 553 2HG2 VAL 553 -3.769 -0.582 -0.233 238 HG23 VAL 553 3HG2 VAL 553 -2.158 -0.098 0.296 239 H LYS 554 H LYS 554 -1.438 3.034 -3.323 240 HA LYS 554 HA LYS 554 -1.700 2.149 -6.118 241 HB2 LYS 554 1HB LYS 554 -2.018 4.645 -5.276 242 HB3 LYS 554 2HB LYS 554 -0.263 4.660 -5.391 243 HG2 LYS 554 1HG LYS 554 -2.167 3.990 -7.625 244 HG3 LYS 554 2HG LYS 554 -1.301 5.514 -7.421 245 HD2 LYS 554 1HD LYS 554 0.792 3.893 -7.351 246 HD3 LYS 554 2HD LYS 554 -0.293 2.845 -8.267 247 HE2 LYS 554 1HE LYS 554 0.565 3.976 -10.024 248 HE3 LYS 554 2HE LYS 554 -0.671 5.153 -9.585 249 HZ1 LYS 554 1HZ LYS 554 1.306 5.960 -8.025 250 HZ2 LYS 554 2HZ LYS 554 1.097 6.529 -9.604 251 HZ3 LYS 554 3HZ LYS 554 2.219 5.302 -9.289 252 H VAL 555 H VAL 555 -0.219 0.635 -6.535 253 HA VAL 555 HA VAL 555 2.286 0.453 -5.195 254 HB VAL 555 HB VAL 555 1.361 -0.901 -7.732 255 HG11 VAL 555 1HG1 VAL 555 3.151 -2.507 -7.307 256 HG12 VAL 555 2HG1 VAL 555 3.797 -0.881 -7.539 257 HG13 VAL 555 3HG1 VAL 555 3.677 -1.560 -5.916 258 HG21 VAL 555 1HG2 VAL 555 1.278 -1.740 -4.841 259 HG22 VAL 555 2HG2 VAL 555 -0.085 -1.508 -5.935 260 HG23 VAL 555 3HG2 VAL 555 1.031 -2.851 -6.188 261 H LEU 556 H LEU 556 4.345 0.927 -5.912 262 HA LEU 556 HA LEU 556 4.545 2.504 -8.389 263 HB2 LEU 556 1HB LEU 556 6.131 3.094 -5.907 264 HB3 LEU 556 2HB LEU 556 5.972 4.082 -7.357 265 HG LEU 556 HG LEU 556 3.625 3.528 -5.567 266 HD11 LEU 556 1HD1 LEU 556 5.611 5.783 -5.324 267 HD12 LEU 556 2HD1 LEU 556 5.362 4.482 -4.159 268 HD13 LEU 556 3HD1 LEU 556 4.081 5.658 -4.454 269 HD21 LEU 556 1HD2 LEU 556 2.523 4.886 -6.940 270 HD22 LEU 556 2HD2 LEU 556 3.899 4.765 -8.036 271 HD23 LEU 556 3HD2 LEU 556 3.803 6.097 -6.884 272 H SER 557 H SER 557 6.273 0.573 -5.976 273 HA SER 557 HA SER 557 7.906 -0.568 -8.099 274 HB2 SER 557 1HB SER 557 9.971 0.090 -7.311 275 HB3 SER 557 2HB SER 557 9.020 1.516 -6.895 276 HG SER 557 HG SER 557 10.006 -0.521 -5.234 277 H ILE 558 H ILE 558 8.740 -2.606 -7.615 278 HA ILE 558 HA ILE 558 7.253 -4.136 -5.758 279 HB ILE 558 HB ILE 558 9.800 -4.883 -7.198 280 HG12 ILE 558 1HG1 ILE 558 7.914 -4.195 -8.680 281 HG13 ILE 558 2HG1 ILE 558 8.380 -5.881 -8.878 282 HG21 ILE 558 1HG2 ILE 558 8.487 -7.201 -6.859 283 HG22 ILE 558 2HG2 ILE 558 9.693 -6.592 -5.726 284 HG23 ILE 558 3HG2 ILE 558 7.976 -6.349 -5.403 285 HD11 ILE 558 1HD1 ILE 558 6.357 -6.596 -8.316 286 HD12 ILE 558 2HD1 ILE 558 6.290 -5.545 -6.901 287 HD13 ILE 558 3HD1 ILE 558 5.833 -4.921 -8.485 288 H GLY 559 H GLY 559 7.840 -5.088 -3.819 289 HA2 GLY 559 1HA GLY 559 9.944 -3.681 -2.368 290 HA3 GLY 559 2HA GLY 559 8.706 -4.711 -1.666 291 H GLU 560 H GLU 560 10.154 -5.900 -0.431 292 HA GLU 560 HA GLU 560 11.767 -7.810 -1.975 293 HB2 GLU 560 1HB GLU 560 12.637 -6.100 0.326 294 HB3 GLU 560 2HB GLU 560 13.362 -7.686 0.096 295 HG2 GLU 560 1HG GLU 560 13.300 -5.538 -2.009 296 HG3 GLU 560 2HG GLU 560 14.644 -5.807 -0.902 297 H GLY 561 H GLY 561 11.141 -9.816 -1.557 298 HA2 GLY 561 1HA GLY 561 10.512 -11.688 -0.362 299 HA3 GLY 561 2HA GLY 561 10.717 -10.756 1.115 300 H GLY 562 H GLY 562 8.542 -10.625 -1.717 301 HA2 GLY 562 1HA GLY 562 6.240 -10.692 -1.821 302 HA3 GLY 562 2HA GLY 562 6.231 -11.223 -0.145 303 H PHE 563 H PHE 563 7.977 -8.354 -0.689 304 HA PHE 563 HA PHE 563 5.861 -6.825 0.628 305 HB2 PHE 563 1HB PHE 563 8.774 -6.770 0.637 306 HB3 PHE 563 2HB PHE 563 8.081 -5.169 0.395 307 HD1 PHE 563 1HD PHE 563 8.868 -7.718 2.757 308 HD2 PHE 563 2HD PHE 563 6.334 -4.368 2.064 309 HE1 PHE 563 1HE PHE 563 8.441 -7.545 5.174 310 HE2 PHE 563 2HE PHE 563 5.905 -4.189 4.480 311 HZ PHE 563 HZ PHE 563 6.959 -5.777 6.039 312 H TRP 564 H TRP 564 5.916 -4.385 -0.048 313 HA TRP 564 HA TRP 564 6.276 -3.998 -2.903 314 HB2 TRP 564 1HB TRP 564 3.750 -4.731 -1.870 315 HB3 TRP 564 2HB TRP 564 3.656 -3.014 -2.251 316 HD1 TRP 564 HD TRP 564 5.579 -3.131 -4.854 317 HE1 TRP 564 1HE TRP 564 4.639 -4.153 -7.021 318 HE3 TRP 564 3HE TRP 564 1.773 -5.901 -2.859 319 HZ2 TRP 564 2HZ TRP 564 2.559 -5.901 -7.784 320 HZ3 TRP 564 3HZ TRP 564 0.354 -7.220 -4.376 321 HH2 TRP 564 HH TRP 564 0.740 -7.218 -6.787 322 H GLU 565 H GLU 565 5.964 -1.742 -3.551 323 HA GLU 565 HA GLU 565 6.208 0.131 -1.291 324 HB2 GLU 565 1HB GLU 565 8.316 -0.536 -2.828 325 HB3 GLU 565 2HB GLU 565 7.656 0.775 -3.796 326 HG2 GLU 565 1HG GLU 565 7.648 2.101 -1.586 327 HG3 GLU 565 2HG GLU 565 8.759 0.855 -1.021 328 H GLY 566 H GLY 566 4.513 1.447 -1.311 329 HA2 GLY 566 1HA GLY 566 3.869 2.987 -3.644 330 HA3 GLY 566 2HA GLY 566 2.637 1.790 -3.273 331 H SER 567 H SER 567 1.224 3.647 -2.998 332 HA SER 567 HA SER 567 1.625 5.012 -0.418 333 HB2 SER 567 1HB SER 567 -0.404 6.084 -2.281 334 HB3 SER 567 2HB SER 567 0.787 6.935 -1.296 335 HG SER 567 HG SER 567 1.042 5.844 -3.865 336 H ALA 568 H ALA 568 0.151 4.775 1.159 337 HA ALA 568 HA ALA 568 -2.530 3.845 0.592 338 HB1 ALA 568 1HB ALA 568 -0.901 2.155 2.459 339 HB2 ALA 568 2HB ALA 568 -2.457 1.797 1.709 340 HB3 ALA 568 3HB ALA 568 -0.988 1.803 0.733 341 H ARG 569 H ARG 569 -3.964 4.107 2.342 342 HA ARG 569 HA ARG 569 -4.815 5.233 4.128 343 HB2 ARG 569 1HB ARG 569 -3.138 3.467 5.146 344 HB3 ARG 569 2HB ARG 569 -2.232 4.906 5.596 345 HG2 ARG 569 1HG ARG 569 -5.068 5.061 6.262 346 HG3 ARG 569 2HG ARG 569 -4.216 3.744 7.071 347 HD2 ARG 569 1HD ARG 569 -2.430 5.597 7.546 348 HD3 ARG 569 2HD ARG 569 -3.782 6.691 7.260 349 HE ARG 569 HE ARG 569 -4.397 4.600 9.123 350 HH11 ARG 569 1HH1 ARG 569 -2.963 7.752 8.753 351 HH12 ARG 569 2HH1 ARG 569 -3.227 8.210 10.403 352 HH21 ARG 569 1HH2 ARG 569 -4.747 5.191 11.299 353 HH22 ARG 569 2HH2 ARG 569 -4.240 6.751 11.851 354 H GLY 570 H GLY 570 -3.483 6.799 2.126 355 HA2 GLY 570 1HA GLY 570 -2.991 9.026 1.815 356 HA3 GLY 570 2HA GLY 570 -3.316 9.273 3.525 357 H HIS 571 H HIS 571 -0.996 6.870 2.806 358 HA HIS 571 HA HIS 571 1.197 8.771 3.300 359 HB2 HIS 571 1HB HIS 571 0.354 7.091 5.216 360 HB3 HIS 571 2HB HIS 571 1.464 6.014 4.374 361 HD1 HIS 571 1HD HIS 571 2.759 6.199 6.753 362 HD2 HIS 571 2HD HIS 571 2.785 9.579 4.337 363 HE1 HIS 571 1HE HIS 571 4.631 7.635 7.625 364 H ILE 572 H ILE 572 3.385 7.451 2.970 365 HA ILE 572 HA ILE 572 3.166 5.721 0.618 366 HB ILE 572 HB ILE 572 5.066 8.062 0.679 367 HG12 ILE 572 1HG1 ILE 572 3.401 8.708 -1.312 368 HG13 ILE 572 2HG1 ILE 572 2.264 7.829 -0.296 369 HG21 ILE 572 1HG2 ILE 572 4.452 5.876 -1.252 370 HG22 ILE 572 2HG2 ILE 572 4.979 7.442 -1.864 371 HG23 ILE 572 3HG2 ILE 572 6.010 6.537 -0.756 372 HD11 ILE 572 1HD1 ILE 572 1.993 9.650 0.919 373 HD12 ILE 572 2HD1 ILE 572 3.693 9.578 1.387 374 HD13 ILE 572 3HD1 ILE 572 3.207 10.497 -0.039 375 H GLY 573 H GLY 573 4.433 3.996 0.816 376 HA2 GLY 573 1HA GLY 573 7.103 3.991 1.621 377 HA3 GLY 573 2HA GLY 573 6.136 3.626 3.042 378 H TRP 574 H TRP 574 6.985 1.536 3.203 379 HA TRP 574 HA TRP 574 6.434 -0.299 0.990 380 HB2 TRP 574 1HB TRP 574 8.305 -0.281 3.288 381 HB3 TRP 574 2HB TRP 574 7.666 -1.855 2.820 382 HD1 TRP 574 HD TRP 574 8.134 -2.576 0.179 383 HE1 TRP 574 1HE TRP 574 10.184 -2.076 -1.294 384 HE3 TRP 574 3HE TRP 574 10.094 1.338 2.819 385 HZ2 TRP 574 2HZ TRP 574 12.347 -0.262 -1.331 386 HZ3 TRP 574 3HZ TRP 574 12.156 2.400 1.997 387 HH2 TRP 574 HH TRP 574 13.257 1.615 -0.035 388 H PHE 575 H PHE 575 5.444 -2.385 1.446 389 HA PHE 575 HA PHE 575 4.040 -2.863 3.870 390 HB2 PHE 575 1HB PHE 575 1.754 -2.588 3.053 391 HB3 PHE 575 2HB PHE 575 2.619 -1.055 2.980 392 HD1 PHE 575 1HD PHE 575 1.379 -3.888 0.965 393 HD2 PHE 575 2HD PHE 575 2.935 0.073 0.934 394 HE1 PHE 575 1HE PHE 575 0.795 -3.681 -1.415 395 HE2 PHE 575 2HE PHE 575 2.352 0.287 -1.446 396 HZ PHE 575 HZ PHE 575 1.280 -1.590 -2.624 397 HA PRO 576 HA PRO 576 4.044 -6.939 2.240 398 HB2 PRO 576 1HB PRO 576 1.933 -8.027 3.556 399 HB3 PRO 576 2HB PRO 576 3.468 -7.650 4.349 400 HG2 PRO 576 1HG PRO 576 0.915 -6.086 4.322 401 HG3 PRO 576 2HG PRO 576 2.012 -6.414 5.675 402 HD2 PRO 576 1HD PRO 576 2.013 -4.061 4.337 403 HD3 PRO 576 2HD PRO 576 3.483 -4.755 5.049 404 H ALA 577 H ALA 577 3.360 -7.799 0.384 405 HA ALA 577 HA ALA 577 1.233 -6.683 -1.104 406 HB1 ALA 577 1HB ALA 577 2.611 -9.324 -1.568 407 HB2 ALA 577 2HB ALA 577 1.705 -8.379 -2.750 408 HB3 ALA 577 3HB ALA 577 3.225 -7.760 -2.102 409 H GLU 578 H GLU 578 1.438 -9.393 1.084 410 HA GLU 578 HA GLU 578 -0.899 -10.756 0.306 411 HB2 GLU 578 1HB GLU 578 -0.820 -11.737 2.595 412 HB3 GLU 578 2HB GLU 578 0.707 -11.843 1.730 413 HG2 GLU 578 1HG GLU 578 1.751 -10.342 3.100 414 HG3 GLU 578 2HG GLU 578 0.252 -9.523 3.531 415 H CYS 579 H CYS 579 -0.471 -7.755 1.829 416 HA CYS 579 HA CYS 579 -3.046 -7.780 3.177 417 HB2 CYS 579 1HB CYS 579 -0.672 -6.020 3.141 418 HB3 CYS 579 2HB CYS 579 -2.215 -5.200 3.345 419 HG CYS 579 HG CYS 579 -2.696 -5.927 5.794 420 H VAL 580 H VAL 580 -1.767 -6.968 0.123 421 HA VAL 580 HA VAL 580 -4.133 -5.335 -0.515 422 HB VAL 580 HB VAL 580 -2.784 -4.720 -2.594 423 HG11 VAL 580 1HG1 VAL 580 -1.841 -2.873 -1.530 424 HG12 VAL 580 2HG1 VAL 580 -3.143 -3.358 -0.442 425 HG13 VAL 580 3HG1 VAL 580 -1.472 -3.784 -0.066 426 HG21 VAL 580 1HG2 VAL 580 -0.372 -4.949 -2.450 427 HG22 VAL 580 2HG2 VAL 580 -0.523 -5.802 -0.914 428 HG23 VAL 580 3HG2 VAL 580 -1.136 -6.538 -2.395 429 H GLU 581 H GLU 581 -5.195 -5.694 -2.547 430 HA GLU 581 HA GLU 581 -4.660 -8.249 -3.862 431 HB2 GLU 581 1HB GLU 581 -6.309 -8.784 -2.146 432 HB3 GLU 581 2HB GLU 581 -7.344 -7.479 -2.706 433 HG2 GLU 581 1HG GLU 581 -7.816 -8.600 -4.737 434 HG3 GLU 581 2HG GLU 581 -6.554 -9.796 -4.445 435 H GLU 582 H GLU 582 -5.488 -8.409 -5.979 436 HA GLU 582 HA GLU 582 -5.683 -5.895 -7.339 437 HB2 GLU 582 1HB GLU 582 -5.730 -8.769 -8.204 438 HB3 GLU 582 2HB GLU 582 -6.138 -7.490 -9.339 439 HG2 GLU 582 1HG GLU 582 -3.859 -6.481 -8.464 440 HG3 GLU 582 2HG GLU 582 -3.531 -8.175 -8.105 441 H VAL 583 H VAL 583 -7.424 -5.108 -8.559 442 HA VAL 583 HA VAL 583 -9.927 -5.177 -7.399 443 HB VAL 583 HB VAL 583 -9.392 -4.647 -10.325 444 HG11 VAL 583 1HG1 VAL 583 -11.600 -3.754 -8.475 445 HG12 VAL 583 2HG1 VAL 583 -11.356 -3.154 -10.117 446 HG13 VAL 583 3HG1 VAL 583 -11.747 -4.853 -9.846 447 HG21 VAL 583 1HG2 VAL 583 -9.574 -2.220 -8.997 448 HG22 VAL 583 2HG2 VAL 583 -8.563 -3.214 -7.947 449 HG23 VAL 583 3HG2 VAL 583 -8.106 -2.964 -9.632 450 H GLN 584 H GLN 584 -11.878 -6.197 -7.882 451 HA GLN 584 HA GLN 584 -11.682 -8.587 -9.589 452 HB2 GLN 584 1HB GLN 584 -13.095 -8.363 -6.926 453 HB3 GLN 584 2HB GLN 584 -13.150 -9.765 -7.986 454 HG2 GLN 584 1HG GLN 584 -10.591 -9.769 -7.771 455 HG3 GLN 584 2HG GLN 584 -10.853 -8.704 -6.391 456 HE21 GLN 584 1HE2 GLN 584 -11.346 -12.658 -6.048 457 HE22 GLN 584 2HE2 GLN 584 -10.729 -11.886 -7.466 458 H SER 585 H SER 585 -12.854 -8.034 -11.327 459 HA SER 585 HA SER 585 -15.340 -6.549 -11.004 460 HB2 SER 585 1HB SER 585 -13.887 -5.808 -12.792 461 HB3 SER 585 2HB SER 585 -13.828 -7.435 -13.471 462 HG SER 585 HG SER 585 -15.852 -5.526 -13.583 Start of MODEL 11 1 H1 MET 525 H MET 525 7.526 -6.347 -17.832 2 HA MET 525 HA MET 525 5.412 -7.139 -16.668 3 HB2 MET 525 1HB MET 525 6.662 -8.518 -14.957 4 HB3 MET 525 2HB MET 525 7.231 -8.663 -16.614 5 HG2 MET 525 1HG MET 525 9.067 -7.145 -16.136 6 HG3 MET 525 2HG MET 525 8.486 -6.948 -14.484 7 HE1 MET 525 1HE MET 525 11.396 -8.860 -13.357 8 HE2 MET 525 2HE MET 525 11.735 -8.206 -14.960 9 HE3 MET 525 3HE MET 525 10.751 -7.285 -13.821 10 H VAL 526 H VAL 526 5.688 -4.339 -15.992 11 HA VAL 526 HA VAL 526 6.053 -3.762 -13.319 12 HB VAL 526 HB VAL 526 4.257 -1.977 -13.680 13 HG11 VAL 526 1HG1 VAL 526 6.640 -1.539 -13.924 14 HG12 VAL 526 2HG1 VAL 526 6.588 -2.122 -15.590 15 HG13 VAL 526 3HG1 VAL 526 5.715 -0.657 -15.139 16 HG21 VAL 526 1HG2 VAL 526 3.365 -3.531 -15.659 17 HG22 VAL 526 2HG2 VAL 526 3.146 -1.781 -15.650 18 HG23 VAL 526 3HG2 VAL 526 4.456 -2.502 -16.586 19 HA PRO 527 HA PRO 527 2.830 -5.678 -11.038 20 HB2 PRO 527 1HB PRO 527 2.335 -3.812 -9.131 21 HB3 PRO 527 2HB PRO 527 3.800 -4.800 -9.150 22 HG2 PRO 527 1HG PRO 527 3.401 -1.987 -10.094 23 HG3 PRO 527 2HG PRO 527 4.745 -2.676 -9.164 24 HD2 PRO 527 1HD PRO 527 4.896 -2.229 -11.830 25 HD3 PRO 527 2HD PRO 527 5.749 -3.569 -11.037 26 H GLY 528 H GLY 528 0.656 -4.824 -9.801 27 HA2 GLY 528 1HA GLY 528 -1.120 -4.155 -11.939 28 HA3 GLY 528 2HA GLY 528 -1.562 -4.389 -10.255 29 H ARG 529 H ARG 529 -2.307 -2.321 -12.303 30 HA ARG 529 HA ARG 529 -1.177 0.150 -11.832 31 HB2 ARG 529 1HB ARG 529 -4.065 -0.555 -12.373 32 HB3 ARG 529 2HB ARG 529 -3.432 1.086 -12.414 33 HG2 ARG 529 1HG ARG 529 -2.312 -1.115 -14.121 34 HG3 ARG 529 2HG ARG 529 -3.666 -0.104 -14.632 35 HD2 ARG 529 1HD ARG 529 -2.248 1.894 -14.291 36 HD3 ARG 529 2HD ARG 529 -0.897 0.834 -13.890 37 HE ARG 529 HE ARG 529 -0.616 0.410 -16.122 38 HH11 ARG 529 1HH1 ARG 529 -3.746 1.849 -15.619 39 HH12 ARG 529 2HH1 ARG 529 -4.075 2.038 -17.310 40 HH21 ARG 529 1HH2 ARG 529 -1.037 0.653 -18.351 41 HH22 ARG 529 2HH2 ARG 529 -2.535 1.357 -18.862 42 H LEU 530 H LEU 530 -4.290 -0.775 -10.372 43 HA LEU 530 HA LEU 530 -3.441 0.614 -7.915 44 HB2 LEU 530 1HB LEU 530 -6.251 0.415 -8.983 45 HB3 LEU 530 2HB LEU 530 -5.715 1.325 -7.573 46 HG LEU 530 HG LEU 530 -6.000 2.981 -9.153 47 HD11 LEU 530 1HD1 LEU 530 -3.948 3.920 -9.310 48 HD12 LEU 530 2HD1 LEU 530 -3.208 2.466 -9.980 49 HD13 LEU 530 3HD1 LEU 530 -3.521 2.579 -8.248 50 HD21 LEU 530 1HD2 LEU 530 -5.485 0.826 -11.028 51 HD22 LEU 530 2HD2 LEU 530 -4.687 2.329 -11.496 52 HD23 LEU 530 3HD2 LEU 530 -6.431 2.301 -11.231 53 H PHE 531 H PHE 531 -3.824 -0.367 -5.980 54 HA PHE 531 HA PHE 531 -5.059 -3.041 -6.079 55 HB2 PHE 531 1HB PHE 531 -2.602 -2.065 -4.659 56 HB3 PHE 531 2HB PHE 531 -3.502 -3.441 -4.028 57 HD1 PHE 531 1HD PHE 531 -3.454 -5.561 -5.124 58 HD2 PHE 531 2HD PHE 531 -1.488 -2.196 -6.833 59 HE1 PHE 531 1HE PHE 531 -2.276 -7.049 -6.690 60 HE2 PHE 531 2HE PHE 531 -0.306 -3.678 -8.402 61 HZ PHE 531 HZ PHE 531 -0.700 -6.108 -8.333 62 H VAL 532 H VAL 532 -5.971 -3.782 -4.000 63 HA VAL 532 HA VAL 532 -6.953 -1.550 -2.348 64 HB VAL 532 HB VAL 532 -8.625 -3.945 -3.098 65 HG11 VAL 532 1HG1 VAL 532 -10.281 -1.862 -2.409 66 HG12 VAL 532 2HG1 VAL 532 -9.820 -3.204 -1.361 67 HG13 VAL 532 3HG1 VAL 532 -8.931 -1.681 -1.290 68 HG21 VAL 532 1HG2 VAL 532 -9.881 -2.145 -4.466 69 HG22 VAL 532 2HG2 VAL 532 -8.349 -1.272 -4.417 70 HG23 VAL 532 3HG2 VAL 532 -8.428 -2.874 -5.148 71 H ALA 533 H ALA 533 -6.372 -1.792 -0.303 72 HA ALA 533 HA ALA 533 -5.189 -4.132 0.729 73 HB1 ALA 533 1HB ALA 533 -4.519 -2.173 1.779 74 HB2 ALA 533 2HB ALA 533 -6.173 -1.589 1.968 75 HB3 ALA 533 3HB ALA 533 -5.586 -2.916 2.970 76 H ILE 534 H ILE 534 -6.044 -5.913 1.584 77 HA ILE 534 HA ILE 534 -8.920 -5.906 2.215 78 HB ILE 534 HB ILE 534 -8.770 -8.397 1.911 79 HG12 ILE 534 1HG1 ILE 534 -6.238 -7.932 0.380 80 HG13 ILE 534 2HG1 ILE 534 -6.152 -8.210 2.115 81 HG21 ILE 534 1HG2 ILE 534 -9.657 -6.863 0.192 82 HG22 ILE 534 2HG2 ILE 534 -8.044 -6.756 -0.511 83 HG23 ILE 534 3HG2 ILE 534 -8.899 -8.298 -0.500 84 HD11 ILE 534 1HD1 ILE 534 -6.658 -10.389 1.921 85 HD12 ILE 534 2HD1 ILE 534 -7.792 -10.121 0.597 86 HD13 ILE 534 3HD1 ILE 534 -6.057 -10.159 0.279 87 H LYS 535 H LYS 535 -5.792 -6.262 3.516 88 HA LYS 535 HA LYS 535 -6.949 -7.211 6.051 89 HB2 LYS 535 1HB LYS 535 -4.202 -7.923 5.010 90 HB3 LYS 535 2HB LYS 535 -4.931 -8.479 6.511 91 HG2 LYS 535 1HG LYS 535 -6.771 -9.447 4.959 92 HG3 LYS 535 2HG LYS 535 -5.545 -9.276 3.701 93 HD2 LYS 535 1HD LYS 535 -5.253 -11.458 4.487 94 HD3 LYS 535 2HD LYS 535 -3.996 -10.534 5.316 95 HE2 LYS 535 1HE LYS 535 -4.952 -11.887 6.979 96 HE3 LYS 535 2HE LYS 535 -5.664 -10.294 7.225 97 HZ1 LYS 535 1HZ LYS 535 -7.527 -11.561 7.296 98 HZ2 LYS 535 2HZ LYS 535 -6.909 -12.760 6.275 99 HZ3 LYS 535 3HZ LYS 535 -7.475 -11.305 5.625 100 HA PRO 536 HA PRO 536 -5.225 -3.424 7.570 101 HB2 PRO 536 1HB PRO 536 -5.649 -3.905 10.208 102 HB3 PRO 536 2HB PRO 536 -6.942 -3.443 9.096 103 HG2 PRO 536 1HG PRO 536 -6.190 -6.160 10.104 104 HG3 PRO 536 2HG PRO 536 -7.801 -5.446 9.909 105 HD2 PRO 536 1HD PRO 536 -6.753 -7.186 8.120 106 HD3 PRO 536 2HD PRO 536 -7.857 -5.881 7.646 107 H TYR 537 H TYR 537 -3.346 -2.703 8.553 108 HA TYR 537 HA TYR 537 -1.655 -4.396 10.107 109 HB2 TYR 537 1HB TYR 537 -1.430 -4.838 7.405 110 HB3 TYR 537 2HB TYR 537 -0.162 -3.652 7.694 111 HD1 TYR 537 1HD TYR 537 -1.464 -6.891 9.009 112 HD2 TYR 537 2HD TYR 537 1.913 -4.362 8.457 113 HE1 TYR 537 1HE TYR 537 0.001 -8.675 9.854 114 HE2 TYR 537 2HE TYR 537 3.389 -6.140 9.301 115 HH TYR 537 HH TYR 537 2.247 -9.368 9.857 116 H GLN 538 H GLN 538 0.219 -3.303 10.896 117 HA GLN 538 HA GLN 538 0.124 -0.386 10.493 118 HB2 GLN 538 1HB GLN 538 0.419 -2.035 12.965 119 HB3 GLN 538 2HB GLN 538 1.223 -0.473 12.894 120 HG2 GLN 538 1HG GLN 538 -1.667 -0.673 12.193 121 HG3 GLN 538 2HG GLN 538 -1.172 -0.683 13.886 122 HE21 GLN 538 1HE2 GLN 538 -1.516 2.753 11.959 123 HE22 GLN 538 2HE2 GLN 538 -2.159 1.241 11.428 124 HA PRO 539 HA PRO 539 4.367 -0.368 9.382 125 HB2 PRO 539 1HB PRO 539 5.272 1.895 10.577 126 HB3 PRO 539 2HB PRO 539 4.203 1.914 9.170 127 HG2 PRO 539 1HG PRO 539 3.529 2.266 12.066 128 HG3 PRO 539 2HG PRO 539 2.933 3.169 10.661 129 HD2 PRO 539 1HD PRO 539 1.495 1.205 11.847 130 HD3 PRO 539 2HD PRO 539 1.399 1.540 10.106 131 H GLN 540 H GLN 540 5.783 -1.799 10.155 132 HA GLN 540 HA GLN 540 6.552 -1.619 12.994 133 HB2 GLN 540 1HB GLN 540 5.845 -3.897 11.292 134 HB3 GLN 540 2HB GLN 540 7.338 -4.127 12.193 135 HG2 GLN 540 1HG GLN 540 6.237 -4.492 14.078 136 HG3 GLN 540 2HG GLN 540 5.279 -3.026 13.878 137 HE21 GLN 540 1HE2 GLN 540 2.750 -4.818 11.952 138 HE22 GLN 540 2HE2 GLN 540 3.763 -3.431 11.764 139 H VAL 541 H VAL 541 7.621 -1.638 9.715 140 HA VAL 541 HA VAL 541 10.429 -1.634 10.609 141 HB VAL 541 HB VAL 541 9.473 -2.136 7.794 142 HG11 VAL 541 1HG1 VAL 541 12.079 -1.993 9.143 143 HG12 VAL 541 2HG1 VAL 541 11.870 -3.373 8.063 144 HG13 VAL 541 3HG1 VAL 541 11.659 -1.732 7.451 145 HG21 VAL 541 1HG2 VAL 541 8.560 -3.883 9.186 146 HG22 VAL 541 2HG2 VAL 541 9.908 -4.529 8.250 147 HG23 VAL 541 3HG2 VAL 541 10.127 -4.136 9.955 148 H ASP 542 H ASP 542 11.871 -0.116 9.656 149 HA ASP 542 HA ASP 542 10.911 2.495 9.501 150 HB2 ASP 542 1HB ASP 542 13.315 1.633 9.909 151 HB3 ASP 542 2HB ASP 542 13.460 1.641 8.153 152 H GLY 543 H GLY 543 9.552 3.255 8.015 153 HA2 GLY 543 1HA GLY 543 9.402 4.152 5.759 154 HA3 GLY 543 2HA GLY 543 10.149 2.669 5.184 155 H GLU 544 H GLU 544 8.529 0.945 6.885 156 HA GLU 544 HA GLU 544 6.484 0.289 5.161 157 HB2 GLU 544 1HB GLU 544 7.045 -0.293 8.026 158 HB3 GLU 544 2HB GLU 544 5.442 -0.682 7.414 159 HG2 GLU 544 1HG GLU 544 6.501 -2.024 5.625 160 HG3 GLU 544 2HG GLU 544 8.069 -1.710 6.369 161 H ILE 545 H ILE 545 4.137 0.403 5.468 162 HA ILE 545 HA ILE 545 3.246 2.811 6.896 163 HB ILE 545 HB ILE 545 1.596 2.993 4.834 164 HG12 ILE 545 1HG1 ILE 545 4.106 1.849 3.593 165 HG13 ILE 545 2HG1 ILE 545 2.558 1.018 3.690 166 HG21 ILE 545 1HG2 ILE 545 3.022 4.722 3.917 167 HG22 ILE 545 2HG2 ILE 545 3.111 4.738 5.678 168 HG23 ILE 545 3HG2 ILE 545 4.423 4.032 4.735 169 HD11 ILE 545 1HD1 ILE 545 1.543 2.612 2.227 170 HD12 ILE 545 2HD1 ILE 545 2.990 3.620 2.249 171 HD13 ILE 545 3HD1 ILE 545 3.033 2.033 1.482 172 HA PRO 546 HA PRO 546 -0.141 0.412 8.320 173 HB2 PRO 546 1HB PRO 546 -2.155 2.233 8.350 174 HB3 PRO 546 2HB PRO 546 -0.819 2.260 9.507 175 HG2 PRO 546 1HG PRO 546 -1.204 3.880 7.019 176 HG3 PRO 546 2HG PRO 546 -0.625 4.397 8.613 177 HD2 PRO 546 1HD PRO 546 1.050 3.908 6.542 178 HD3 PRO 546 2HD PRO 546 1.508 3.613 8.232 179 H LEU 547 H LEU 547 -2.392 -0.286 7.808 180 HA LEU 547 HA LEU 547 -3.264 0.133 5.069 181 HB2 LEU 547 1HB LEU 547 -2.377 -2.532 6.141 182 HB3 LEU 547 2HB LEU 547 -3.449 -2.374 4.751 183 HG LEU 547 HG LEU 547 -0.718 -1.116 4.826 184 HD11 LEU 547 1HD1 LEU 547 0.291 -3.054 4.435 185 HD12 LEU 547 2HD1 LEU 547 -0.899 -3.501 3.214 186 HD13 LEU 547 3HD1 LEU 547 -1.206 -3.854 4.914 187 HD21 LEU 547 1HD2 LEU 547 -2.789 -0.722 3.123 188 HD22 LEU 547 2HD2 LEU 547 -1.943 -2.046 2.322 189 HD23 LEU 547 3HD2 LEU 547 -1.090 -0.544 2.684 190 H HIS 548 H HIS 548 -5.424 -0.520 4.685 191 HA HIS 548 HA HIS 548 -6.951 -1.536 6.953 192 HB2 HIS 548 1HB HIS 548 -6.830 1.105 6.798 193 HB3 HIS 548 2HB HIS 548 -8.063 0.864 5.564 194 HD1 HIS 548 1HD HIS 548 -7.488 0.664 9.238 195 HD2 HIS 548 2HD HIS 548 -10.546 -0.057 6.519 196 HE1 HIS 548 1HE HIS 548 -9.574 0.411 10.621 197 H ARG 549 H ARG 549 -8.964 -2.442 6.390 198 HA ARG 549 HA ARG 549 -9.047 -3.618 3.812 199 HB2 ARG 549 1HB ARG 549 -11.247 -3.500 5.882 200 HB3 ARG 549 2HB ARG 549 -11.133 -4.631 4.540 201 HG2 ARG 549 1HG ARG 549 -8.920 -5.369 5.599 202 HG3 ARG 549 2HG ARG 549 -9.482 -4.509 7.034 203 HD2 ARG 549 1HD ARG 549 -10.036 -6.901 7.109 204 HD3 ARG 549 2HD ARG 549 -11.476 -5.884 7.113 205 HE ARG 549 HE ARG 549 -10.886 -6.599 4.468 206 HH11 ARG 549 1HH1 ARG 549 -11.972 -8.048 7.442 207 HH12 ARG 549 2HH1 ARG 549 -12.872 -9.301 6.654 208 HH21 ARG 549 1HH2 ARG 549 -12.068 -8.244 3.420 209 HH22 ARG 549 2HH2 ARG 549 -12.926 -9.412 4.367 210 H GLY 550 H GLY 550 -9.514 -2.500 2.030 211 HA2 GLY 550 1HA GLY 550 -11.326 -1.610 0.681 212 HA3 GLY 550 2HA GLY 550 -11.878 -0.736 2.103 213 H ASP 551 H ASP 551 -8.568 -0.590 2.029 214 HA ASP 551 HA ASP 551 -8.640 2.167 1.126 215 HB2 ASP 551 1HB ASP 551 -6.997 0.599 2.904 216 HB3 ASP 551 2HB ASP 551 -5.988 1.438 1.729 217 H ARG 552 H ARG 552 -7.881 2.915 -0.760 218 HA ARG 552 HA ARG 552 -7.042 0.994 -2.756 219 HB2 ARG 552 1HB ARG 552 -7.423 3.986 -2.983 220 HB3 ARG 552 2HB ARG 552 -7.197 2.868 -4.322 221 HG2 ARG 552 1HG ARG 552 -9.507 2.734 -2.400 222 HG3 ARG 552 2HG ARG 552 -9.551 3.588 -3.944 223 HD2 ARG 552 1HD ARG 552 -8.758 0.701 -3.788 224 HD3 ARG 552 2HD ARG 552 -10.455 1.175 -3.835 225 HE ARG 552 HE ARG 552 -8.561 1.274 -6.003 226 HH11 ARG 552 1HH1 ARG 552 -11.566 2.497 -4.744 227 HH12 ARG 552 2HH1 ARG 552 -12.183 2.952 -6.299 228 HH21 ARG 552 1HH2 ARG 552 -9.360 1.868 -8.055 229 HH22 ARG 552 2HH2 ARG 552 -10.927 2.593 -8.181 230 H VAL 553 H VAL 553 -4.975 0.344 -2.443 231 HA VAL 553 HA VAL 553 -2.899 2.289 -1.838 232 HB VAL 553 HB VAL 553 -2.743 -0.705 -2.206 233 HG11 VAL 553 1HG1 VAL 553 -0.679 1.370 -1.892 234 HG12 VAL 553 2HG1 VAL 553 -0.509 -0.037 -0.840 235 HG13 VAL 553 3HG1 VAL 553 -0.571 -0.246 -2.591 236 HG21 VAL 553 1HG2 VAL 553 -2.072 -0.013 0.404 237 HG22 VAL 553 2HG2 VAL 553 -3.474 0.986 0.022 238 HG23 VAL 553 3HG2 VAL 553 -3.570 -0.768 -0.139 239 H LYS 554 H LYS 554 -1.435 3.057 -3.247 240 HA LYS 554 HA LYS 554 -1.655 2.164 -6.039 241 HB2 LYS 554 1HB LYS 554 -2.031 4.626 -5.272 242 HB3 LYS 554 2HB LYS 554 -0.276 4.687 -5.182 243 HG2 LYS 554 1HG LYS 554 -1.542 3.673 -7.675 244 HG3 LYS 554 2HG LYS 554 -1.555 5.408 -7.354 245 HD2 LYS 554 1HD LYS 554 0.769 5.559 -7.405 246 HD3 LYS 554 2HD LYS 554 0.982 3.828 -7.123 247 HE2 LYS 554 1HE LYS 554 0.526 3.282 -9.320 248 HE3 LYS 554 2HE LYS 554 -0.393 4.759 -9.606 249 HZ1 LYS 554 1HZ LYS 554 1.944 5.838 -9.172 250 HZ2 LYS 554 2HZ LYS 554 1.520 5.255 -10.702 251 HZ3 LYS 554 3HZ LYS 554 2.500 4.324 -9.685 252 H VAL 555 H VAL 555 -0.170 0.668 -6.497 253 HA VAL 555 HA VAL 555 2.334 0.467 -5.148 254 HB VAL 555 HB VAL 555 1.386 -0.872 -7.685 255 HG11 VAL 555 1HG1 VAL 555 3.817 -0.852 -7.557 256 HG12 VAL 555 2HG1 VAL 555 3.749 -1.509 -5.920 257 HG13 VAL 555 3HG1 VAL 555 3.193 -2.478 -7.285 258 HG21 VAL 555 1HG2 VAL 555 1.452 -1.850 -4.831 259 HG22 VAL 555 2HG2 VAL 555 0.010 -1.412 -5.747 260 HG23 VAL 555 3HG2 VAL 555 0.975 -2.806 -6.235 261 H LEU 556 H LEU 556 4.386 0.967 -5.852 262 HA LEU 556 HA LEU 556 4.573 2.583 -8.307 263 HB2 LEU 556 1HB LEU 556 6.180 3.061 -5.810 264 HB3 LEU 556 2HB LEU 556 6.093 4.078 -7.247 265 HG LEU 556 HG LEU 556 3.675 3.601 -5.535 266 HD11 LEU 556 1HD1 LEU 556 5.224 6.073 -5.112 267 HD12 LEU 556 2HD1 LEU 556 5.901 4.602 -4.414 268 HD13 LEU 556 3HD1 LEU 556 4.272 5.117 -3.977 269 HD21 LEU 556 1HD2 LEU 556 2.790 5.458 -6.603 270 HD22 LEU 556 2HD2 LEU 556 3.685 4.659 -7.896 271 HD23 LEU 556 3HD2 LEU 556 4.375 6.065 -7.083 272 H SER 557 H SER 557 6.215 0.434 -6.045 273 HA SER 557 HA SER 557 7.758 -0.704 -8.197 274 HB2 SER 557 1HB SER 557 9.062 1.340 -7.401 275 HB3 SER 557 2HB SER 557 9.301 0.474 -5.883 276 HG SER 557 HG SER 557 10.332 -1.175 -7.063 277 H ILE 558 H ILE 558 8.703 -2.706 -7.658 278 HA ILE 558 HA ILE 558 7.309 -4.182 -5.685 279 HB ILE 558 HB ILE 558 9.840 -4.976 -7.129 280 HG12 ILE 558 1HG1 ILE 558 8.006 -4.292 -8.664 281 HG13 ILE 558 2HG1 ILE 558 8.409 -6.001 -8.797 282 HG21 ILE 558 1HG2 ILE 558 9.645 -6.599 -5.539 283 HG22 ILE 558 2HG2 ILE 558 7.898 -6.405 -5.396 284 HG23 ILE 558 3HG2 ILE 558 8.579 -7.275 -6.771 285 HD11 ILE 558 1HD1 ILE 558 6.354 -6.620 -8.235 286 HD12 ILE 558 2HD1 ILE 558 6.304 -5.509 -6.866 287 HD13 ILE 558 3HD1 ILE 558 5.896 -4.936 -8.482 288 H GLY 559 H GLY 559 8.028 -5.107 -3.757 289 HA2 GLY 559 1HA GLY 559 10.173 -3.597 -2.454 290 HA3 GLY 559 2HA GLY 559 8.946 -4.560 -1.645 291 H GLU 560 H GLU 560 10.109 -5.967 -0.467 292 HA GLU 560 HA GLU 560 11.769 -7.872 -1.935 293 HB2 GLU 560 1HB GLU 560 13.530 -7.774 -0.204 294 HB3 GLU 560 2HB GLU 560 13.374 -6.265 -1.092 295 HG2 GLU 560 1HG GLU 560 11.788 -5.633 0.904 296 HG3 GLU 560 2HG GLU 560 12.713 -6.879 1.739 297 H GLY 561 H GLY 561 11.129 -9.862 -1.454 298 HA2 GLY 561 1HA GLY 561 10.476 -11.684 -0.192 299 HA3 GLY 561 2HA GLY 561 10.623 -10.688 1.248 300 H GLY 562 H GLY 562 8.561 -10.670 -1.669 301 HA2 GLY 562 1HA GLY 562 6.268 -10.697 -1.872 302 HA3 GLY 562 2HA GLY 562 6.189 -11.246 -0.205 303 H PHE 563 H PHE 563 7.956 -8.372 -0.629 304 HA PHE 563 HA PHE 563 5.802 -6.861 0.633 305 HB2 PHE 563 1HB PHE 563 8.723 -6.757 0.651 306 HB3 PHE 563 2HB PHE 563 7.982 -5.170 0.469 307 HD1 PHE 563 1HD PHE 563 6.416 -4.337 2.200 308 HD2 PHE 563 2HD PHE 563 8.654 -7.922 2.707 309 HE1 PHE 563 1HE PHE 563 5.988 -4.258 4.621 310 HE2 PHE 563 2HE PHE 563 8.229 -7.848 5.129 311 HZ PHE 563 HZ PHE 563 6.894 -6.015 6.089 312 H TRP 564 H TRP 564 5.923 -4.393 -0.033 313 HA TRP 564 HA TRP 564 6.281 -4.013 -2.886 314 HB2 TRP 564 1HB TRP 564 3.744 -4.720 -1.861 315 HB3 TRP 564 2HB TRP 564 3.669 -3.002 -2.241 316 HD1 TRP 564 HD TRP 564 5.603 -3.142 -4.837 317 HE1 TRP 564 1HE TRP 564 4.658 -4.151 -7.008 318 HE3 TRP 564 3HE TRP 564 1.753 -5.861 -2.859 319 HZ2 TRP 564 2HZ TRP 564 2.557 -5.872 -7.779 320 HZ3 TRP 564 3HZ TRP 564 0.322 -7.161 -4.381 321 HH2 TRP 564 HH TRP 564 0.718 -7.165 -6.791 322 H GLU 565 H GLU 565 6.069 -1.768 -3.535 323 HA GLU 565 HA GLU 565 6.296 0.108 -1.275 324 HB2 GLU 565 1HB GLU 565 8.392 -0.598 -2.844 325 HB3 GLU 565 2HB GLU 565 7.768 0.776 -3.746 326 HG2 GLU 565 1HG GLU 565 7.928 2.158 -1.724 327 HG3 GLU 565 2HG GLU 565 8.601 0.781 -0.854 328 H GLY 566 H GLY 566 4.590 1.413 -1.310 329 HA2 GLY 566 1HA GLY 566 3.988 2.947 -3.674 330 HA3 GLY 566 2HA GLY 566 2.730 1.794 -3.255 331 H SER 567 H SER 567 1.276 3.528 -2.900 332 HA SER 567 HA SER 567 1.751 4.951 -0.363 333 HB2 SER 567 1HB SER 567 -0.015 6.044 -2.542 334 HB3 SER 567 2HB SER 567 0.735 6.901 -1.195 335 HG SER 567 HG SER 567 1.656 6.719 -3.617 336 H ALA 568 H ALA 568 0.117 4.989 1.119 337 HA ALA 568 HA ALA 568 -2.561 4.191 0.484 338 HB1 ALA 568 1HB ALA 568 -1.159 2.330 2.364 339 HB2 ALA 568 2HB ALA 568 -2.684 2.108 1.503 340 HB3 ALA 568 3HB ALA 568 -1.155 2.033 0.625 341 H ARG 569 H ARG 569 -4.017 4.638 2.137 342 HA ARG 569 HA ARG 569 -4.825 5.676 3.994 343 HB2 ARG 569 1HB ARG 569 -3.189 3.881 5.003 344 HB3 ARG 569 2HB ARG 569 -2.225 5.291 5.423 345 HG2 ARG 569 1HG ARG 569 -4.993 5.659 6.157 346 HG3 ARG 569 2HG ARG 569 -4.316 4.198 6.882 347 HD2 ARG 569 1HD ARG 569 -2.322 5.708 7.514 348 HD3 ARG 569 2HD ARG 569 -3.425 7.044 7.184 349 HE ARG 569 HE ARG 569 -4.569 5.121 8.952 350 HH11 ARG 569 1HH1 ARG 569 -2.376 7.820 8.783 351 HH12 ARG 569 2HH1 ARG 569 -2.593 8.269 10.441 352 HH21 ARG 569 1HH2 ARG 569 -4.864 5.703 11.139 353 HH22 ARG 569 2HH2 ARG 569 -4.007 7.063 11.781 354 H GLY 570 H GLY 570 -3.168 7.104 1.957 355 HA2 GLY 570 1HA GLY 570 -2.733 9.357 1.640 356 HA3 GLY 570 2HA GLY 570 -3.056 9.625 3.345 357 H HIS 571 H HIS 571 -0.800 7.154 2.615 358 HA HIS 571 HA HIS 571 1.450 8.990 3.079 359 HB2 HIS 571 1HB HIS 571 0.482 7.151 4.947 360 HB3 HIS 571 2HB HIS 571 1.905 6.377 4.254 361 HD1 HIS 571 1HD HIS 571 1.414 10.059 5.044 362 HD2 HIS 571 2HD HIS 571 3.782 6.834 6.163 363 HE1 HIS 571 1HE HIS 571 3.141 11.004 6.607 364 H ILE 572 H ILE 572 3.595 7.638 2.776 365 HA ILE 572 HA ILE 572 3.315 5.804 0.505 366 HB ILE 572 HB ILE 572 5.230 8.139 0.514 367 HG12 ILE 572 1HG1 ILE 572 3.705 8.605 -1.624 368 HG13 ILE 572 2HG1 ILE 572 2.515 7.747 -0.650 369 HG21 ILE 572 1HG2 ILE 572 4.792 5.817 -1.312 370 HG22 ILE 572 2HG2 ILE 572 5.369 7.350 -1.965 371 HG23 ILE 572 3HG2 ILE 572 6.302 6.516 -0.724 372 HD11 ILE 572 1HD1 ILE 572 3.367 10.458 -0.473 373 HD12 ILE 572 2HD1 ILE 572 2.088 9.631 0.416 374 HD13 ILE 572 3HD1 ILE 572 3.737 9.633 1.040 375 H GLY 573 H GLY 573 4.470 4.025 0.829 376 HA2 GLY 573 1HA GLY 573 7.154 3.983 1.674 377 HA3 GLY 573 2HA GLY 573 6.127 3.632 3.056 378 H TRP 574 H TRP 574 6.994 1.531 3.209 379 HA TRP 574 HA TRP 574 6.429 -0.286 0.983 380 HB2 TRP 574 1HB TRP 574 8.295 -0.306 3.289 381 HB3 TRP 574 2HB TRP 574 7.654 -1.868 2.785 382 HD1 TRP 574 HD TRP 574 8.153 -2.557 0.149 383 HE1 TRP 574 1HE TRP 574 10.207 -2.023 -1.307 384 HE3 TRP 574 3HE TRP 574 10.067 1.345 2.843 385 HZ2 TRP 574 2HZ TRP 574 12.355 -0.192 -1.312 386 HZ3 TRP 574 3HZ TRP 574 12.125 2.433 2.044 387 HH2 TRP 574 HH TRP 574 13.244 1.678 0.009 388 H PHE 575 H PHE 575 5.489 -2.416 1.490 389 HA PHE 575 HA PHE 575 4.065 -2.878 3.892 390 HB2 PHE 575 1HB PHE 575 1.778 -2.591 3.086 391 HB3 PHE 575 2HB PHE 575 2.647 -1.062 3.012 392 HD1 PHE 575 1HD PHE 575 2.965 0.068 0.966 393 HD2 PHE 575 2HD PHE 575 1.381 -3.883 0.998 394 HE1 PHE 575 1HE PHE 575 2.373 0.289 -1.413 395 HE2 PHE 575 2HE PHE 575 0.788 -3.669 -1.379 396 HZ PHE 575 HZ PHE 575 1.284 -1.581 -2.589 397 HA PRO 576 HA PRO 576 4.050 -6.948 2.248 398 HB2 PRO 576 1HB PRO 576 1.941 -8.035 3.567 399 HB3 PRO 576 2HB PRO 576 3.479 -7.665 4.355 400 HG2 PRO 576 1HG PRO 576 0.932 -6.093 4.342 401 HG3 PRO 576 2HG PRO 576 2.032 -6.430 5.692 402 HD2 PRO 576 1HD PRO 576 2.036 -4.071 4.362 403 HD3 PRO 576 2HD PRO 576 3.507 -4.773 5.067 404 H ALA 577 H ALA 577 3.371 -7.764 0.371 405 HA ALA 577 HA ALA 577 1.234 -6.647 -1.092 406 HB1 ALA 577 1HB ALA 577 2.651 -9.267 -1.571 407 HB2 ALA 577 2HB ALA 577 1.688 -8.366 -2.743 408 HB3 ALA 577 3HB ALA 577 3.199 -7.689 -2.138 409 H GLU 578 H GLU 578 1.448 -9.371 1.074 410 HA GLU 578 HA GLU 578 -0.888 -10.733 0.290 411 HB2 GLU 578 1HB GLU 578 -0.803 -11.722 2.582 412 HB3 GLU 578 2HB GLU 578 0.710 -11.841 1.696 413 HG2 GLU 578 1HG GLU 578 1.793 -10.366 3.060 414 HG3 GLU 578 2HG GLU 578 0.312 -9.518 3.502 415 H CYS 579 H CYS 579 -0.460 -7.744 1.836 416 HA CYS 579 HA CYS 579 -3.033 -7.786 3.189 417 HB2 CYS 579 1HB CYS 579 -0.660 -6.020 3.170 418 HB3 CYS 579 2HB CYS 579 -2.206 -5.212 3.396 419 HG CYS 579 HG CYS 579 -2.648 -5.953 5.842 420 H VAL 580 H VAL 580 -1.766 -6.959 0.141 421 HA VAL 580 HA VAL 580 -4.132 -5.315 -0.477 422 HB VAL 580 HB VAL 580 -2.783 -4.657 -2.540 423 HG11 VAL 580 1HG1 VAL 580 -1.874 -2.818 -1.448 424 HG12 VAL 580 2HG1 VAL 580 -3.140 -3.349 -0.340 425 HG13 VAL 580 3HG1 VAL 580 -1.454 -3.754 -0.013 426 HG21 VAL 580 1HG2 VAL 580 -1.136 -6.520 -2.277 427 HG22 VAL 580 2HG2 VAL 580 -0.409 -4.928 -2.491 428 HG23 VAL 580 3HG2 VAL 580 -0.471 -5.662 -0.887 429 H GLU 581 H GLU 581 -5.270 -5.699 -2.421 430 HA GLU 581 HA GLU 581 -4.652 -8.127 -3.909 431 HB2 GLU 581 1HB GLU 581 -6.123 -8.798 -2.000 432 HB3 GLU 581 2HB GLU 581 -7.360 -7.719 -2.631 433 HG2 GLU 581 1HG GLU 581 -7.786 -10.024 -3.266 434 HG3 GLU 581 2HG GLU 581 -7.477 -9.019 -4.680 435 H GLU 582 H GLU 582 -5.467 -8.150 -5.989 436 HA GLU 582 HA GLU 582 -5.979 -5.663 -7.196 437 HB2 GLU 582 1HB GLU 582 -6.055 -8.506 -8.096 438 HB3 GLU 582 2HB GLU 582 -6.800 -7.290 -9.122 439 HG2 GLU 582 1HG GLU 582 -4.498 -6.062 -8.746 440 HG3 GLU 582 2HG GLU 582 -3.944 -7.706 -8.438 441 H VAL 583 H VAL 583 -7.839 -4.743 -8.026 442 HA VAL 583 HA VAL 583 -10.188 -4.969 -6.567 443 HB VAL 583 HB VAL 583 -11.268 -3.637 -8.293 444 HG11 VAL 583 1HG1 VAL 583 -9.680 -1.750 -8.369 445 HG12 VAL 583 2HG1 VAL 583 -9.794 -2.477 -6.765 446 HG13 VAL 583 3HG1 VAL 583 -8.405 -2.827 -7.797 447 HG21 VAL 583 1HG2 VAL 583 -8.843 -4.326 -9.943 448 HG22 VAL 583 2HG2 VAL 583 -10.524 -4.729 -10.288 449 HG23 VAL 583 3HG2 VAL 583 -9.987 -3.050 -10.359 450 H GLN 584 H GLN 584 -12.301 -5.724 -7.184 451 HA GLN 584 HA GLN 584 -12.253 -7.966 -9.091 452 HB2 GLN 584 1HB GLN 584 -13.285 -7.874 -6.280 453 HB3 GLN 584 2HB GLN 584 -14.032 -8.955 -7.449 454 HG2 GLN 584 1HG GLN 584 -11.522 -9.654 -7.871 455 HG3 GLN 584 2HG GLN 584 -11.334 -9.052 -6.225 456 HE21 GLN 584 1HE2 GLN 584 -12.715 -12.702 -6.825 457 HE22 GLN 584 2HE2 GLN 584 -11.891 -11.735 -7.995 458 H SER 585 H SER 585 -13.507 -7.424 -10.745 459 HA SER 585 HA SER 585 -15.960 -5.885 -10.214 460 HB2 SER 585 1HB SER 585 -14.548 -4.694 -11.733 461 HB3 SER 585 2HB SER 585 -14.260 -6.140 -12.701 462 HG SER 585 HG SER 585 -16.284 -4.350 -12.850 Start of MODEL 12 1 H1 MET 525 H MET 525 7.263 -8.446 -17.548 2 HA MET 525 HA MET 525 5.532 -7.505 -15.769 3 HB2 MET 525 1HB MET 525 6.880 -9.685 -15.682 4 HB3 MET 525 2HB MET 525 8.058 -8.782 -14.739 5 HG2 MET 525 1HG MET 525 6.324 -8.275 -13.082 6 HG3 MET 525 2HG MET 525 5.168 -9.217 -14.020 7 HE1 MET 525 1HE MET 525 6.902 -10.880 -10.534 8 HE2 MET 525 2HE MET 525 7.556 -9.330 -11.064 9 HE3 MET 525 3HE MET 525 5.811 -9.563 -10.966 10 H VAL 526 H VAL 526 5.353 -5.474 -15.052 11 HA VAL 526 HA VAL 526 7.439 -4.424 -13.326 12 HB VAL 526 HB VAL 526 7.237 -2.150 -14.493 13 HG11 VAL 526 1HG1 VAL 526 8.671 -3.920 -16.356 14 HG12 VAL 526 2HG1 VAL 526 9.252 -2.539 -15.422 15 HG13 VAL 526 3HG1 VAL 526 9.084 -4.118 -14.653 16 HG21 VAL 526 1HG2 VAL 526 6.618 -2.091 -16.780 17 HG22 VAL 526 2HG2 VAL 526 6.498 -3.849 -16.866 18 HG23 VAL 526 3HG2 VAL 526 5.316 -2.929 -15.935 19 HA PRO 527 HA PRO 527 4.040 -2.852 -11.037 20 HB2 PRO 527 1HB PRO 527 5.121 -0.626 -9.922 21 HB3 PRO 527 2HB PRO 527 5.553 -2.262 -9.412 22 HG2 PRO 527 1HG PRO 527 7.007 -0.406 -11.258 23 HG3 PRO 527 2HG PRO 527 7.656 -1.443 -9.973 24 HD2 PRO 527 1HD PRO 527 7.762 -2.127 -12.591 25 HD3 PRO 527 2HD PRO 527 7.600 -3.331 -11.295 26 H GLY 528 H GLY 528 3.121 -0.445 -10.467 27 HA2 GLY 528 1HA GLY 528 2.641 1.722 -11.462 28 HA3 GLY 528 2HA GLY 528 2.849 0.978 -13.040 29 H ARG 529 H ARG 529 1.101 -0.635 -10.494 30 HA ARG 529 HA ARG 529 -1.416 -0.066 -11.917 31 HB2 ARG 529 1HB ARG 529 -0.375 -2.647 -10.775 32 HB3 ARG 529 2HB ARG 529 -2.095 -2.391 -11.035 33 HG2 ARG 529 1HG ARG 529 -0.032 -2.096 -13.203 34 HG3 ARG 529 2HG ARG 529 -0.893 -3.601 -12.868 35 HD2 ARG 529 1HD ARG 529 -3.034 -2.333 -13.180 36 HD3 ARG 529 2HD ARG 529 -2.067 -0.966 -13.734 37 HE ARG 529 HE ARG 529 -1.313 -3.167 -15.248 38 HH11 ARG 529 1HH1 ARG 529 -4.166 -1.246 -14.708 39 HH12 ARG 529 2HH1 ARG 529 -4.806 -1.514 -16.296 40 HH21 ARG 529 1HH2 ARG 529 -2.144 -3.527 -17.342 41 HH22 ARG 529 2HH2 ARG 529 -3.655 -2.812 -17.793 42 H LEU 530 H LEU 530 -3.334 -0.833 -10.401 43 HA LEU 530 HA LEU 530 -2.879 0.471 -7.802 44 HB2 LEU 530 1HB LEU 530 -5.278 0.314 -9.596 45 HB3 LEU 530 2HB LEU 530 -5.437 0.717 -7.888 46 HG LEU 530 HG LEU 530 -3.813 2.624 -8.348 47 HD11 LEU 530 1HD1 LEU 530 -3.884 1.401 -10.938 48 HD12 LEU 530 2HD1 LEU 530 -2.882 2.729 -10.356 49 HD13 LEU 530 3HD1 LEU 530 -4.474 3.059 -11.037 50 HD21 LEU 530 1HD2 LEU 530 -6.129 3.065 -7.947 51 HD22 LEU 530 2HD2 LEU 530 -6.561 2.569 -9.584 52 HD23 LEU 530 3HD2 LEU 530 -5.618 4.038 -9.327 53 H PHE 531 H PHE 531 -3.803 -0.410 -5.927 54 HA PHE 531 HA PHE 531 -4.957 -3.093 -6.146 55 HB2 PHE 531 1HB PHE 531 -2.412 -2.351 -4.772 56 HB3 PHE 531 2HB PHE 531 -3.436 -3.573 -4.029 57 HD1 PHE 531 1HD PHE 531 -1.382 -2.742 -6.951 58 HD2 PHE 531 2HD PHE 531 -3.688 -5.744 -5.005 59 HE1 PHE 531 1HE PHE 531 -0.435 -4.441 -8.457 60 HE2 PHE 531 2HE PHE 531 -2.744 -7.448 -6.507 61 HZ PHE 531 HZ PHE 531 -1.115 -6.799 -8.235 62 H VAL 532 H VAL 532 -5.968 -3.822 -4.120 63 HA VAL 532 HA VAL 532 -6.842 -1.560 -2.443 64 HB VAL 532 HB VAL 532 -8.580 -3.904 -3.209 65 HG11 VAL 532 1HG1 VAL 532 -9.732 -3.160 -1.441 66 HG12 VAL 532 2HG1 VAL 532 -8.835 -1.641 -1.380 67 HG13 VAL 532 3HG1 VAL 532 -10.199 -1.818 -2.486 68 HG21 VAL 532 1HG2 VAL 532 -8.462 -1.133 -4.391 69 HG22 VAL 532 2HG2 VAL 532 -8.143 -2.658 -5.217 70 HG23 VAL 532 3HG2 VAL 532 -9.774 -2.279 -4.665 71 H ALA 533 H ALA 533 -6.269 -1.811 -0.396 72 HA ALA 533 HA ALA 533 -5.160 -4.175 0.653 73 HB1 ALA 533 1HB ALA 533 -5.521 -2.954 2.887 74 HB2 ALA 533 2HB ALA 533 -4.459 -2.211 1.690 75 HB3 ALA 533 3HB ALA 533 -6.107 -1.618 1.897 76 H ILE 534 H ILE 534 -6.038 -5.907 1.603 77 HA ILE 534 HA ILE 534 -8.915 -5.817 2.241 78 HB ILE 534 HB ILE 534 -8.952 -8.260 1.798 79 HG12 ILE 534 1HG1 ILE 534 -6.350 -7.993 0.346 80 HG13 ILE 534 2HG1 ILE 534 -6.331 -8.307 2.078 81 HG21 ILE 534 1HG2 ILE 534 -9.722 -6.739 0.094 82 HG22 ILE 534 2HG2 ILE 534 -8.073 -6.495 -0.481 83 HG23 ILE 534 3HG2 ILE 534 -8.849 -8.068 -0.666 84 HD11 ILE 534 1HD1 ILE 534 -8.052 -10.025 0.390 85 HD12 ILE 534 2HD1 ILE 534 -6.305 -10.250 0.294 86 HD13 ILE 534 3HD1 ILE 534 -7.132 -10.415 1.844 87 H LYS 535 H LYS 535 -5.895 -5.984 3.572 88 HA LYS 535 HA LYS 535 -6.971 -7.125 6.045 89 HB2 LYS 535 1HB LYS 535 -4.306 -7.894 4.841 90 HB3 LYS 535 2HB LYS 535 -4.886 -8.386 6.426 91 HG2 LYS 535 1HG LYS 535 -6.473 -9.017 3.973 92 HG3 LYS 535 2HG LYS 535 -5.095 -10.017 4.437 93 HD2 LYS 535 1HD LYS 535 -7.194 -9.350 6.459 94 HD3 LYS 535 2HD LYS 535 -7.493 -10.622 5.273 95 HE2 LYS 535 1HE LYS 535 -5.060 -10.523 7.048 96 HE3 LYS 535 2HE LYS 535 -6.532 -11.403 7.456 97 HZ1 LYS 535 1HZ LYS 535 -6.215 -12.576 5.258 98 HZ2 LYS 535 2HZ LYS 535 -5.110 -12.965 6.477 99 HZ3 LYS 535 3HZ LYS 535 -4.657 -11.919 5.227 100 HA PRO 536 HA PRO 536 -5.139 -3.415 7.629 101 HB2 PRO 536 1HB PRO 536 -5.532 -3.955 10.261 102 HB3 PRO 536 2HB PRO 536 -6.832 -3.436 9.182 103 HG2 PRO 536 1HG PRO 536 -6.127 -6.194 10.108 104 HG3 PRO 536 2HG PRO 536 -7.724 -5.438 9.958 105 HD2 PRO 536 1HD PRO 536 -6.744 -7.156 8.108 106 HD3 PRO 536 2HD PRO 536 -7.826 -5.813 7.686 107 H TYR 537 H TYR 537 -3.171 -2.794 8.406 108 HA TYR 537 HA TYR 537 -1.498 -4.642 9.878 109 HB2 TYR 537 1HB TYR 537 -1.266 -4.986 7.277 110 HB3 TYR 537 2HB TYR 537 -0.274 -3.535 7.382 111 HD1 TYR 537 1HD TYR 537 1.833 -3.558 8.651 112 HD2 TYR 537 2HD TYR 537 -0.493 -7.087 8.153 113 HE1 TYR 537 1HE TYR 537 3.761 -4.920 9.341 114 HE2 TYR 537 2HE TYR 537 1.430 -8.458 8.841 115 HH TYR 537 HH TYR 537 3.507 -8.444 9.649 116 H GLN 538 H GLN 538 0.384 -3.643 10.774 117 HA GLN 538 HA GLN 538 0.258 -0.699 10.761 118 HB2 GLN 538 1HB GLN 538 0.784 -2.622 13.017 119 HB3 GLN 538 2HB GLN 538 1.260 -0.932 13.111 120 HG2 GLN 538 1HG GLN 538 -1.520 -2.039 12.834 121 HG3 GLN 538 2HG GLN 538 -0.835 -1.170 14.206 122 HE21 GLN 538 1HE2 GLN 538 -0.988 2.013 12.582 123 HE22 GLN 538 2HE2 GLN 538 0.032 1.058 13.597 124 HA PRO 539 HA PRO 539 4.477 -0.538 9.568 125 HB2 PRO 539 1HB PRO 539 5.345 1.653 10.916 126 HB3 PRO 539 2HB PRO 539 4.261 1.749 9.522 127 HG2 PRO 539 1HG PRO 539 3.608 1.877 12.441 128 HG3 PRO 539 2HG PRO 539 2.980 2.865 11.109 129 HD2 PRO 539 1HD PRO 539 1.595 0.790 12.163 130 HD3 PRO 539 2HD PRO 539 1.476 1.246 10.452 131 H GLN 540 H GLN 540 6.133 -1.769 10.178 132 HA GLN 540 HA GLN 540 6.964 -1.746 12.995 133 HB2 GLN 540 1HB GLN 540 6.130 -4.062 11.339 134 HB3 GLN 540 2HB GLN 540 7.537 -4.295 12.368 135 HG2 GLN 540 1HG GLN 540 5.811 -4.996 13.718 136 HG3 GLN 540 2HG GLN 540 6.041 -3.327 14.236 137 HE21 GLN 540 1HE2 GLN 540 2.759 -2.489 13.646 138 HE22 GLN 540 2HE2 GLN 540 4.241 -2.239 14.496 139 H VAL 541 H VAL 541 7.835 -0.945 10.028 140 HA VAL 541 HA VAL 541 10.671 -1.361 10.588 141 HB VAL 541 HB VAL 541 9.549 -1.965 7.853 142 HG11 VAL 541 1HG1 VAL 541 11.717 -1.543 7.387 143 HG12 VAL 541 2HG1 VAL 541 12.240 -1.816 9.050 144 HG13 VAL 541 3HG1 VAL 541 11.945 -3.188 7.980 145 HG21 VAL 541 1HG2 VAL 541 10.255 -3.840 10.102 146 HG22 VAL 541 2HG2 VAL 541 8.710 -3.687 9.265 147 HG23 VAL 541 3HG2 VAL 541 10.108 -4.351 8.420 148 H ASP 542 H ASP 542 12.061 0.114 9.505 149 HA ASP 542 HA ASP 542 11.086 2.722 9.292 150 HB2 ASP 542 1HB ASP 542 13.614 1.641 8.032 151 HB3 ASP 542 2HB ASP 542 13.280 3.319 8.452 152 H GLY 543 H GLY 543 9.673 3.420 7.827 153 HA2 GLY 543 1HA GLY 543 9.416 4.223 5.552 154 HA3 GLY 543 2HA GLY 543 10.177 2.737 5.001 155 H GLU 544 H GLU 544 8.664 1.018 6.784 156 HA GLU 544 HA GLU 544 6.559 0.298 5.152 157 HB2 GLU 544 1HB GLU 544 7.351 -0.298 7.939 158 HB3 GLU 544 2HB GLU 544 5.672 -0.624 7.534 159 HG2 GLU 544 1HG GLU 544 6.531 -1.946 5.567 160 HG3 GLU 544 2HG GLU 544 8.135 -1.796 6.282 161 H ILE 545 H ILE 545 4.218 0.318 5.641 162 HA ILE 545 HA ILE 545 3.313 2.661 7.142 163 HB ILE 545 HB ILE 545 1.668 3.021 5.132 164 HG12 ILE 545 1HG1 ILE 545 4.092 1.857 3.743 165 HG13 ILE 545 2HG1 ILE 545 2.516 1.078 3.849 166 HG21 ILE 545 1HG2 ILE 545 3.490 4.537 6.096 167 HG22 ILE 545 2HG2 ILE 545 4.481 3.985 4.747 168 HG23 ILE 545 3HG2 ILE 545 2.968 4.836 4.438 169 HD11 ILE 545 1HD1 ILE 545 3.036 2.255 1.690 170 HD12 ILE 545 2HD1 ILE 545 1.517 2.705 2.467 171 HD13 ILE 545 3HD1 ILE 545 2.919 3.770 2.584 172 HA PRO 546 HA PRO 546 -0.033 0.112 8.397 173 HB2 PRO 546 1HB PRO 546 -2.066 1.901 8.581 174 HB3 PRO 546 2HB PRO 546 -0.722 1.853 9.729 175 HG2 PRO 546 1HG PRO 546 -1.141 3.658 7.378 176 HG3 PRO 546 2HG PRO 546 -0.558 4.056 9.005 177 HD2 PRO 546 1HD PRO 546 1.109 3.750 6.892 178 HD3 PRO 546 2HD PRO 546 1.582 3.328 8.551 179 H LEU 547 H LEU 547 -2.311 -0.527 7.854 180 HA LEU 547 HA LEU 547 -3.154 0.062 5.133 181 HB2 LEU 547 1HB LEU 547 -2.327 -2.665 6.085 182 HB3 LEU 547 2HB LEU 547 -3.408 -2.433 4.713 183 HG LEU 547 HG LEU 547 -0.682 -1.178 4.782 184 HD11 LEU 547 1HD1 LEU 547 -1.323 -3.998 4.593 185 HD12 LEU 547 2HD1 LEU 547 0.243 -3.201 4.746 186 HD13 LEU 547 3HD1 LEU 547 -0.492 -3.404 3.155 187 HD21 LEU 547 1HD2 LEU 547 -1.048 -0.677 2.612 188 HD22 LEU 547 2HD2 LEU 547 -2.740 -0.790 3.096 189 HD23 LEU 547 3HD2 LEU 547 -1.955 -2.159 2.308 190 H HIS 548 H HIS 548 -5.322 -0.588 4.681 191 HA HIS 548 HA HIS 548 -6.897 -1.619 6.910 192 HB2 HIS 548 1HB HIS 548 -6.728 1.047 6.730 193 HB3 HIS 548 2HB HIS 548 -8.022 0.783 5.564 194 HD1 HIS 548 1HD HIS 548 -7.262 0.652 9.205 195 HD2 HIS 548 2HD HIS 548 -10.445 -0.154 6.658 196 HE1 HIS 548 1HE HIS 548 -9.272 0.403 10.697 197 H ARG 549 H ARG 549 -8.896 -2.509 6.302 198 HA ARG 549 HA ARG 549 -8.959 -3.603 3.681 199 HB2 ARG 549 1HB ARG 549 -11.207 -3.587 5.697 200 HB3 ARG 549 2HB ARG 549 -10.974 -4.718 4.371 201 HG2 ARG 549 1HG ARG 549 -8.986 -5.604 5.451 202 HG3 ARG 549 2HG ARG 549 -9.166 -4.439 6.763 203 HD2 ARG 549 1HD ARG 549 -10.086 -6.427 7.598 204 HD3 ARG 549 2HD ARG 549 -11.477 -5.452 7.122 205 HE ARG 549 HE ARG 549 -10.528 -7.890 5.845 206 HH11 ARG 549 1HH1 ARG 549 -12.690 -5.162 5.785 207 HH12 ARG 549 2HH1 ARG 549 -13.787 -5.891 4.660 208 HH21 ARG 549 1HH2 ARG 549 -11.965 -8.860 4.364 209 HH22 ARG 549 2HH2 ARG 549 -13.375 -7.994 3.854 210 H GLY 550 H GLY 550 -9.550 -2.543 1.911 211 HA2 GLY 550 1HA GLY 550 -11.353 -1.593 0.623 212 HA3 GLY 550 2HA GLY 550 -11.887 -0.755 2.073 213 H ASP 551 H ASP 551 -8.585 -0.578 1.975 214 HA ASP 551 HA ASP 551 -8.688 2.190 1.101 215 HB2 ASP 551 1HB ASP 551 -6.958 0.576 2.806 216 HB3 ASP 551 2HB ASP 551 -6.045 1.614 1.713 217 H ARG 552 H ARG 552 -7.954 2.946 -0.788 218 HA ARG 552 HA ARG 552 -7.078 1.057 -2.789 219 HB2 ARG 552 1HB ARG 552 -7.314 4.048 -3.101 220 HB3 ARG 552 2HB ARG 552 -7.359 2.825 -4.363 221 HG2 ARG 552 1HG ARG 552 -9.449 3.283 -2.244 222 HG3 ARG 552 2HG ARG 552 -9.573 3.695 -3.956 223 HD2 ARG 552 1HD ARG 552 -9.048 1.136 -4.268 224 HD3 ARG 552 2HD ARG 552 -9.676 1.031 -2.624 225 HE ARG 552 HE ARG 552 -11.781 1.425 -3.437 226 HH11 ARG 552 1HH1 ARG 552 -9.436 2.244 -5.877 227 HH12 ARG 552 2HH1 ARG 552 -10.620 2.485 -7.120 228 HH21 ARG 552 1HH2 ARG 552 -13.349 1.739 -5.064 229 HH22 ARG 552 2HH2 ARG 552 -12.845 2.198 -6.655 230 H VAL 553 H VAL 553 -5.014 0.404 -2.436 231 HA VAL 553 HA VAL 553 -2.944 2.354 -1.822 232 HB VAL 553 HB VAL 553 -2.801 -0.645 -2.154 233 HG11 VAL 553 1HG1 VAL 553 -0.604 -0.406 -2.370 234 HG12 VAL 553 2HG1 VAL 553 -0.723 1.341 -2.150 235 HG13 VAL 553 3HG1 VAL 553 -0.568 0.283 -0.747 236 HG21 VAL 553 1HG2 VAL 553 -2.157 0.494 0.443 237 HG22 VAL 553 2HG2 VAL 553 -3.812 0.841 -0.061 238 HG23 VAL 553 3HG2 VAL 553 -3.248 -0.828 0.028 239 H LYS 554 H LYS 554 -1.553 3.183 -3.250 240 HA LYS 554 HA LYS 554 -1.720 2.251 -6.027 241 HB2 LYS 554 1HB LYS 554 -2.130 4.699 -5.335 242 HB3 LYS 554 2HB LYS 554 -0.389 4.790 -5.109 243 HG2 LYS 554 1HG LYS 554 -0.025 4.225 -7.434 244 HG3 LYS 554 2HG LYS 554 -1.761 4.027 -7.679 245 HD2 LYS 554 1HD LYS 554 -1.559 6.167 -8.420 246 HD3 LYS 554 2HD LYS 554 -1.770 6.507 -6.701 247 HE2 LYS 554 1HE LYS 554 0.947 6.110 -7.914 248 HE3 LYS 554 2HE LYS 554 0.148 7.681 -7.930 249 HZ1 LYS 554 1HZ LYS 554 1.367 7.784 -6.005 250 HZ2 LYS 554 2HZ LYS 554 1.169 6.144 -5.642 251 HZ3 LYS 554 3HZ LYS 554 -0.113 7.222 -5.407 252 H VAL 555 H VAL 555 -0.258 0.679 -6.354 253 HA VAL 555 HA VAL 555 2.235 0.489 -5.028 254 HB VAL 555 HB VAL 555 1.339 -0.817 -7.602 255 HG11 VAL 555 1HG1 VAL 555 3.625 -1.519 -5.762 256 HG12 VAL 555 2HG1 VAL 555 3.114 -2.440 -7.178 257 HG13 VAL 555 3HG1 VAL 555 3.772 -0.815 -7.372 258 HG21 VAL 555 1HG2 VAL 555 1.260 -1.770 -4.741 259 HG22 VAL 555 2HG2 VAL 555 -0.123 -1.394 -5.769 260 HG23 VAL 555 3HG2 VAL 555 0.906 -2.773 -6.148 261 H LEU 556 H LEU 556 4.306 0.962 -5.708 262 HA LEU 556 HA LEU 556 4.538 2.619 -8.133 263 HB2 LEU 556 1HB LEU 556 6.079 3.028 -5.578 264 HB3 LEU 556 2HB LEU 556 6.114 4.046 -7.017 265 HG LEU 556 HG LEU 556 3.607 3.676 -5.402 266 HD11 LEU 556 1HD1 LEU 556 5.556 4.508 -4.009 267 HD12 LEU 556 2HD1 LEU 556 4.128 5.541 -4.068 268 HD13 LEU 556 3HD1 LEU 556 5.546 5.941 -5.036 269 HD21 LEU 556 1HD2 LEU 556 2.719 5.229 -6.748 270 HD22 LEU 556 2HD2 LEU 556 4.044 4.823 -7.839 271 HD23 LEU 556 3HD2 LEU 556 4.187 6.205 -6.752 272 H SER 557 H SER 557 6.288 0.588 -5.806 273 HA SER 557 HA SER 557 7.802 -0.583 -7.993 274 HB2 SER 557 1HB SER 557 9.402 1.047 -7.541 275 HB3 SER 557 2HB SER 557 9.024 1.085 -5.819 276 HG SER 557 HG SER 557 10.304 -1.053 -7.181 277 H ILE 558 H ILE 558 8.723 -2.603 -7.487 278 HA ILE 558 HA ILE 558 7.283 -4.122 -5.584 279 HB ILE 558 HB ILE 558 9.836 -4.893 -7.001 280 HG12 ILE 558 1HG1 ILE 558 8.032 -4.159 -8.549 281 HG13 ILE 558 2HG1 ILE 558 8.430 -5.866 -8.720 282 HG21 ILE 558 1HG2 ILE 558 7.811 -6.386 -5.400 283 HG22 ILE 558 2HG2 ILE 558 8.637 -7.201 -6.729 284 HG23 ILE 558 3HG2 ILE 558 9.570 -6.519 -5.397 285 HD11 ILE 558 1HD1 ILE 558 6.354 -6.475 -8.249 286 HD12 ILE 558 2HD1 ILE 558 6.304 -5.456 -6.810 287 HD13 ILE 558 3HD1 ILE 558 5.915 -4.773 -8.388 288 H GLY 559 H GLY 559 7.953 -5.095 -3.664 289 HA2 GLY 559 1HA GLY 559 10.067 -3.627 -2.271 290 HA3 GLY 559 2HA GLY 559 8.835 -4.632 -1.522 291 H GLU 560 H GLU 560 10.130 -5.948 -0.323 292 HA GLU 560 HA GLU 560 11.794 -7.824 -1.844 293 HB2 GLU 560 1HB GLU 560 12.642 -6.099 0.443 294 HB3 GLU 560 2HB GLU 560 13.319 -7.716 0.312 295 HG2 GLU 560 1HG GLU 560 13.367 -5.892 -2.047 296 HG3 GLU 560 2HG GLU 560 14.551 -5.701 -0.756 297 H GLY 561 H GLY 561 11.155 -9.832 -1.450 298 HA2 GLY 561 1HA GLY 561 10.501 -11.707 -0.273 299 HA3 GLY 561 2HA GLY 561 10.651 -10.776 1.210 300 H GLY 562 H GLY 562 8.577 -10.650 -1.696 301 HA2 GLY 562 1HA GLY 562 6.282 -10.696 -1.887 302 HA3 GLY 562 2HA GLY 562 6.213 -11.272 -0.227 303 H PHE 563 H PHE 563 7.969 -8.386 -0.624 304 HA PHE 563 HA PHE 563 5.819 -6.901 0.675 305 HB2 PHE 563 1HB PHE 563 8.730 -6.814 0.716 306 HB3 PHE 563 2HB PHE 563 8.021 -5.217 0.502 307 HD1 PHE 563 1HD PHE 563 6.343 -4.402 2.185 308 HD2 PHE 563 2HD PHE 563 8.721 -7.878 2.803 309 HE1 PHE 563 1HE PHE 563 5.887 -4.280 4.599 310 HE2 PHE 563 2HE PHE 563 8.269 -7.762 5.218 311 HZ PHE 563 HZ PHE 563 6.850 -5.962 6.120 312 H TRP 564 H TRP 564 5.861 -4.445 0.050 313 HA TRP 564 HA TRP 564 6.243 -3.999 -2.793 314 HB2 TRP 564 1HB TRP 564 3.716 -4.775 -1.802 315 HB3 TRP 564 2HB TRP 564 3.607 -3.050 -2.138 316 HD1 TRP 564 HD TRP 564 5.573 -3.104 -4.725 317 HE1 TRP 564 1HE TRP 564 4.651 -4.068 -6.926 318 HE3 TRP 564 3HE TRP 564 1.730 -5.903 -2.841 319 HZ2 TRP 564 2HZ TRP 564 2.571 -5.787 -7.756 320 HZ3 TRP 564 3HZ TRP 564 0.322 -7.176 -4.407 321 HH2 TRP 564 HH TRP 564 0.735 -7.118 -6.811 322 H GLU 565 H GLU 565 6.007 -1.748 -3.399 323 HA GLU 565 HA GLU 565 6.150 0.095 -1.107 324 HB2 GLU 565 1HB GLU 565 8.318 -0.562 -2.576 325 HB3 GLU 565 2HB GLU 565 7.709 0.784 -3.527 326 HG2 GLU 565 1HG GLU 565 8.096 1.028 -0.569 327 HG3 GLU 565 2HG GLU 565 9.433 1.258 -1.694 328 H GLY 566 H GLY 566 4.475 1.431 -1.181 329 HA2 GLY 566 1HA GLY 566 3.921 2.952 -3.566 330 HA3 GLY 566 2HA GLY 566 2.650 1.806 -3.163 331 H SER 567 H SER 567 1.205 3.562 -2.856 332 HA SER 567 HA SER 567 1.640 5.001 -0.320 333 HB2 SER 567 1HB SER 567 0.945 6.972 -1.224 334 HB3 SER 567 2HB SER 567 1.481 6.224 -2.728 335 HG SER 567 HG SER 567 -1.101 6.673 -1.778 336 H ALA 568 H ALA 568 -0.194 5.367 0.995 337 HA ALA 568 HA ALA 568 -2.771 4.343 0.324 338 HB1 ALA 568 1HB ALA 568 -1.425 2.794 2.507 339 HB2 ALA 568 2HB ALA 568 -2.894 2.407 1.608 340 HB3 ALA 568 3HB ALA 568 -1.318 2.278 0.823 341 H ARG 569 H ARG 569 -4.267 5.351 1.522 342 HA ARG 569 HA ARG 569 -5.229 6.654 3.119 343 HB2 ARG 569 1HB ARG 569 -4.225 4.727 4.547 344 HB3 ARG 569 2HB ARG 569 -3.035 5.927 5.033 345 HG2 ARG 569 1HG ARG 569 -4.658 6.006 6.701 346 HG3 ARG 569 2HG ARG 569 -5.027 7.389 5.670 347 HD2 ARG 569 1HD ARG 569 -6.698 5.949 4.488 348 HD3 ARG 569 2HD ARG 569 -6.410 4.713 5.710 349 HE ARG 569 HE ARG 569 -7.654 5.935 7.201 350 HH11 ARG 569 1HH1 ARG 569 -6.896 7.904 4.432 351 HH12 ARG 569 2HH1 ARG 569 -7.955 9.195 4.896 352 HH21 ARG 569 1HH2 ARG 569 -9.050 7.628 7.823 353 HH22 ARG 569 2HH2 ARG 569 -9.178 9.037 6.827 354 H GLY 570 H GLY 570 -2.947 7.598 1.404 355 HA2 GLY 570 1HA GLY 570 -2.127 9.748 1.063 356 HA3 GLY 570 2HA GLY 570 -2.667 10.181 2.679 357 H HIS 571 H HIS 571 -0.789 7.327 2.436 358 HA HIS 571 HA HIS 571 1.638 8.795 3.216 359 HB2 HIS 571 1HB HIS 571 0.599 6.273 4.524 360 HB3 HIS 571 2HB HIS 571 2.112 7.084 4.913 361 HD1 HIS 571 1HD HIS 571 1.343 9.927 5.301 362 HD2 HIS 571 2HD HIS 571 -1.081 6.799 6.566 363 HE1 HIS 571 1HE HIS 571 -0.122 10.897 7.100 364 H ILE 572 H ILE 572 3.463 8.151 2.237 365 HA ILE 572 HA ILE 572 3.284 5.841 0.437 366 HB ILE 572 HB ILE 572 5.394 7.998 0.439 367 HG12 ILE 572 1HG1 ILE 572 3.929 8.541 -1.752 368 HG13 ILE 572 2HG1 ILE 572 2.656 7.919 -0.708 369 HG21 ILE 572 1HG2 ILE 572 6.391 6.525 -0.915 370 HG22 ILE 572 2HG2 ILE 572 4.924 5.565 -1.099 371 HG23 ILE 572 3HG2 ILE 572 5.173 6.994 -2.100 372 HD11 ILE 572 1HD1 ILE 572 4.047 10.462 -0.642 373 HD12 ILE 572 2HD1 ILE 572 2.507 9.989 0.076 374 HD13 ILE 572 3HD1 ILE 572 4.015 9.659 0.928 375 H GLY 573 H GLY 573 4.376 4.033 0.849 376 HA2 GLY 573 1HA GLY 573 6.964 3.941 1.978 377 HA3 GLY 573 2HA GLY 573 5.775 3.590 3.224 378 H TRP 574 H TRP 574 6.748 1.486 3.380 379 HA TRP 574 HA TRP 574 6.251 -0.294 1.106 380 HB2 TRP 574 1HB TRP 574 8.103 -0.325 3.422 381 HB3 TRP 574 2HB TRP 574 7.488 -1.888 2.894 382 HD1 TRP 574 HD TRP 574 8.096 -2.626 0.334 383 HE1 TRP 574 1HE TRP 574 10.115 -2.007 -1.138 384 HE3 TRP 574 3HE TRP 574 9.732 1.488 2.890 385 HZ2 TRP 574 2HZ TRP 574 12.134 -0.035 -1.206 386 HZ3 TRP 574 3HZ TRP 574 11.714 2.684 2.056 387 HH2 TRP 574 HH TRP 574 12.889 1.936 0.051 388 H PHE 575 H PHE 575 5.382 -2.477 1.604 389 HA PHE 575 HA PHE 575 3.937 -2.996 3.972 390 HB2 PHE 575 1HB PHE 575 1.647 -2.749 3.142 391 HB3 PHE 575 2HB PHE 575 2.484 -1.200 3.128 392 HD1 PHE 575 1HD PHE 575 1.325 -3.987 1.004 393 HD2 PHE 575 2HD PHE 575 2.790 0.007 1.128 394 HE1 PHE 575 1HE PHE 575 0.761 -3.711 -1.375 395 HE2 PHE 575 2HE PHE 575 2.229 0.290 -1.251 396 HZ PHE 575 HZ PHE 575 1.212 -1.569 -2.506 397 HA PRO 576 HA PRO 576 4.006 -7.037 2.261 398 HB2 PRO 576 1HB PRO 576 1.904 -8.183 3.540 399 HB3 PRO 576 2HB PRO 576 3.428 -7.801 4.350 400 HG2 PRO 576 1HG PRO 576 0.852 -6.273 4.337 401 HG3 PRO 576 2HG PRO 576 1.945 -6.613 5.692 402 HD2 PRO 576 1HD PRO 576 1.920 -4.232 4.402 403 HD3 PRO 576 2HD PRO 576 3.396 -4.920 5.110 404 H ALA 577 H ALA 577 3.356 -7.847 0.371 405 HA ALA 577 HA ALA 577 1.221 -6.740 -1.104 406 HB1 ALA 577 1HB ALA 577 3.268 -7.804 -2.065 407 HB2 ALA 577 2HB ALA 577 2.582 -9.373 -1.640 408 HB3 ALA 577 3HB ALA 577 1.754 -8.333 -2.799 409 H GLU 578 H GLU 578 1.426 -9.438 1.078 410 HA GLU 578 HA GLU 578 -0.887 -10.829 0.238 411 HB2 GLU 578 1HB GLU 578 -0.810 -11.824 2.545 412 HB3 GLU 578 2HB GLU 578 0.679 -11.976 1.623 413 HG2 GLU 578 1HG GLU 578 1.793 -10.406 2.915 414 HG3 GLU 578 2HG GLU 578 0.297 -9.706 3.528 415 H CYS 579 H CYS 579 -0.514 -7.839 1.750 416 HA CYS 579 HA CYS 579 -3.094 -7.928 3.105 417 HB2 CYS 579 1HB CYS 579 -0.728 -6.153 3.160 418 HB3 CYS 579 2HB CYS 579 -2.282 -5.361 3.394 419 HG CYS 579 HG CYS 579 -2.813 -6.278 5.785 420 H VAL 580 H VAL 580 -1.850 -7.149 0.069 421 HA VAL 580 HA VAL 580 -4.162 -5.424 -0.535 422 HB VAL 580 HB VAL 580 -2.795 -4.808 -2.606 423 HG11 VAL 580 1HG1 VAL 580 -1.483 -3.916 -0.064 424 HG12 VAL 580 2HG1 VAL 580 -1.842 -2.983 -1.519 425 HG13 VAL 580 3HG1 VAL 580 -3.147 -3.468 -0.435 426 HG21 VAL 580 1HG2 VAL 580 -1.165 -6.599 -2.498 427 HG22 VAL 580 2HG2 VAL 580 -0.355 -5.038 -2.367 428 HG23 VAL 580 3HG2 VAL 580 -0.604 -6.025 -0.928 429 H GLU 581 H GLU 581 -5.301 -5.771 -2.492 430 HA GLU 581 HA GLU 581 -4.743 -8.190 -4.005 431 HB2 GLU 581 1HB GLU 581 -6.110 -9.115 -2.275 432 HB3 GLU 581 2HB GLU 581 -7.262 -7.794 -2.393 433 HG2 GLU 581 1HG GLU 581 -7.980 -8.550 -4.562 434 HG3 GLU 581 2HG GLU 581 -6.744 -9.808 -4.568 435 H GLU 582 H GLU 582 -5.626 -8.191 -6.061 436 HA GLU 582 HA GLU 582 -6.101 -5.714 -7.263 437 HB2 GLU 582 1HB GLU 582 -6.557 -8.546 -8.154 438 HB3 GLU 582 2HB GLU 582 -7.032 -7.195 -9.172 439 HG2 GLU 582 1HG GLU 582 -4.418 -6.634 -8.385 440 HG3 GLU 582 2HG GLU 582 -4.436 -8.356 -8.760 441 H VAL 583 H VAL 583 -7.981 -4.789 -8.156 442 HA VAL 583 HA VAL 583 -10.212 -4.671 -6.540 443 HB VAL 583 HB VAL 583 -11.362 -3.538 -8.339 444 HG11 VAL 583 1HG1 VAL 583 -8.843 -2.827 -7.343 445 HG12 VAL 583 2HG1 VAL 583 -8.811 -2.432 -9.062 446 HG13 VAL 583 3HG1 VAL 583 -10.069 -1.759 -8.026 447 HG21 VAL 583 1HG2 VAL 583 -10.898 -5.056 -10.162 448 HG22 VAL 583 2HG2 VAL 583 -10.381 -3.429 -10.606 449 HG23 VAL 583 3HG2 VAL 583 -9.187 -4.632 -10.120 450 H GLN 584 H GLN 584 -12.370 -5.434 -6.782 451 HA GLN 584 HA GLN 584 -12.556 -7.992 -8.231 452 HB2 GLN 584 1HB GLN 584 -14.088 -8.771 -6.501 453 HB3 GLN 584 2HB GLN 584 -12.550 -8.293 -5.795 454 HG2 GLN 584 1HG GLN 584 -13.561 -6.126 -5.163 455 HG3 GLN 584 2HG GLN 584 -15.109 -6.712 -5.772 456 HE21 GLN 584 1HE2 GLN 584 -15.779 -8.787 -3.037 457 HE22 GLN 584 2HE2 GLN 584 -16.149 -8.415 -4.683 458 H SER 585 H SER 585 -14.117 -8.183 -9.704 459 HA SER 585 HA SER 585 -16.292 -6.192 -9.688 460 HB2 SER 585 1HB SER 585 -15.754 -7.286 -12.321 461 HB3 SER 585 2HB SER 585 -15.822 -5.602 -11.803 462 HG SER 585 HG SER 585 -13.690 -6.971 -12.472 Start of MODEL 13 1 H1 MET 525 H MET 525 2.969 -9.369 -15.744 2 HA MET 525 HA MET 525 2.046 -8.635 -13.076 3 HB2 MET 525 1HB MET 525 2.857 -10.963 -13.648 4 HB3 MET 525 2HB MET 525 4.471 -10.280 -13.796 5 HG2 MET 525 1HG MET 525 4.401 -9.573 -11.470 6 HG3 MET 525 2HG MET 525 2.768 -10.217 -11.317 7 HE1 MET 525 1HE MET 525 6.631 -12.393 -10.680 8 HE2 MET 525 2HE MET 525 6.571 -11.157 -11.936 9 HE3 MET 525 3HE MET 525 6.133 -10.749 -10.277 10 H VAL 526 H VAL 526 2.607 -6.340 -14.088 11 HA VAL 526 HA VAL 526 5.303 -5.666 -13.109 12 HB VAL 526 HB VAL 526 5.188 -3.730 -14.785 13 HG11 VAL 526 1HG1 VAL 526 5.434 -6.069 -16.484 14 HG12 VAL 526 2HG1 VAL 526 6.665 -4.915 -15.966 15 HG13 VAL 526 3HG1 VAL 526 6.245 -6.282 -14.934 16 HG21 VAL 526 1HG2 VAL 526 3.333 -5.545 -16.290 17 HG22 VAL 526 2HG2 VAL 526 2.721 -4.253 -15.259 18 HG23 VAL 526 3HG2 VAL 526 3.759 -3.867 -16.630 19 HA PRO 527 HA PRO 527 3.428 -2.686 -10.487 20 HB2 PRO 527 1HB PRO 527 5.306 -0.726 -10.466 21 HB3 PRO 527 2HB PRO 527 5.526 -2.276 -9.644 22 HG2 PRO 527 1HG PRO 527 6.563 -1.379 -12.306 23 HG3 PRO 527 2HG PRO 527 7.396 -2.281 -11.026 24 HD2 PRO 527 1HD PRO 527 6.372 -3.484 -13.225 25 HD3 PRO 527 2HD PRO 527 6.441 -4.286 -11.644 26 H GLY 528 H GLY 528 2.954 -0.244 -10.353 27 HA2 GLY 528 1HA GLY 528 2.444 1.795 -11.462 28 HA3 GLY 528 2HA GLY 528 2.560 0.954 -13.000 29 H ARG 529 H ARG 529 0.782 -0.513 -10.420 30 HA ARG 529 HA ARG 529 -1.738 0.279 -11.725 31 HB2 ARG 529 1HB ARG 529 -0.923 -2.424 -10.656 32 HB3 ARG 529 2HB ARG 529 -2.586 -2.003 -11.044 33 HG2 ARG 529 1HG ARG 529 -0.435 -1.679 -13.091 34 HG3 ARG 529 2HG ARG 529 -1.151 -3.263 -12.784 35 HD2 ARG 529 1HD ARG 529 -2.813 -0.827 -13.364 36 HD3 ARG 529 2HD ARG 529 -2.186 -1.866 -14.642 37 HE ARG 529 HE ARG 529 -4.354 -2.443 -12.841 38 HH11 ARG 529 1HH1 ARG 529 -1.926 -3.790 -14.942 39 HH12 ARG 529 2HH1 ARG 529 -2.785 -5.273 -15.198 40 HH21 ARG 529 1HH2 ARG 529 -5.494 -4.391 -13.172 41 HH22 ARG 529 2HH2 ARG 529 -4.815 -5.613 -14.192 42 H LEU 530 H LEU 530 -3.632 -0.512 -10.140 43 HA LEU 530 HA LEU 530 -2.983 0.624 -7.501 44 HB2 LEU 530 1HB LEU 530 -5.444 0.809 -9.206 45 HB3 LEU 530 2HB LEU 530 -5.504 1.116 -7.471 46 HG LEU 530 HG LEU 530 -3.692 2.874 -7.910 47 HD11 LEU 530 1HD1 LEU 530 -4.217 1.918 -10.605 48 HD12 LEU 530 2HD1 LEU 530 -2.881 2.889 -9.986 49 HD13 LEU 530 3HD1 LEU 530 -4.395 3.665 -10.450 50 HD21 LEU 530 1HD2 LEU 530 -6.512 3.191 -8.924 51 HD22 LEU 530 2HD2 LEU 530 -5.404 4.533 -8.637 52 HD23 LEU 530 3HD2 LEU 530 -5.916 3.509 -7.294 53 H PHE 531 H PHE 531 -3.457 -0.516 -5.712 54 HA PHE 531 HA PHE 531 -4.926 -3.046 -6.066 55 HB2 PHE 531 1HB PHE 531 -2.421 -2.405 -4.578 56 HB3 PHE 531 2HB PHE 531 -3.490 -3.636 -3.914 57 HD1 PHE 531 1HD PHE 531 -1.546 -2.694 -6.918 58 HD2 PHE 531 2HD PHE 531 -3.529 -5.805 -4.796 59 HE1 PHE 531 1HE PHE 531 -0.579 -4.353 -8.455 60 HE2 PHE 531 2HE PHE 531 -2.565 -7.470 -6.331 61 HZ PHE 531 HZ PHE 531 -1.087 -6.745 -8.162 62 H VAL 532 H VAL 532 -5.987 -3.854 -4.077 63 HA VAL 532 HA VAL 532 -6.952 -1.631 -2.397 64 HB VAL 532 HB VAL 532 -8.582 -4.043 -3.194 65 HG11 VAL 532 1HG1 VAL 532 -8.956 -1.804 -1.364 66 HG12 VAL 532 2HG1 VAL 532 -10.286 -2.003 -2.506 67 HG13 VAL 532 3HG1 VAL 532 -9.810 -3.342 -1.462 68 HG21 VAL 532 1HG2 VAL 532 -9.834 -2.211 -4.547 69 HG22 VAL 532 2HG2 VAL 532 -8.294 -1.356 -4.477 70 HG23 VAL 532 3HG2 VAL 532 -8.383 -2.950 -5.225 71 H ALA 533 H ALA 533 -6.396 -1.858 -0.343 72 HA ALA 533 HA ALA 533 -5.265 -4.222 0.721 73 HB1 ALA 533 1HB ALA 533 -5.554 -2.974 2.933 74 HB2 ALA 533 2HB ALA 533 -4.542 -2.222 1.699 75 HB3 ALA 533 3HB ALA 533 -6.189 -1.648 1.958 76 H ILE 534 H ILE 534 -6.200 -5.969 1.548 77 HA ILE 534 HA ILE 534 -9.062 -5.827 2.232 78 HB ILE 534 HB ILE 534 -9.066 -8.303 1.891 79 HG12 ILE 534 1HG1 ILE 534 -6.512 -8.044 0.365 80 HG13 ILE 534 2HG1 ILE 534 -6.425 -8.258 2.110 81 HG21 ILE 534 1HG2 ILE 534 -9.994 -7.444 0.037 82 HG22 ILE 534 2HG2 ILE 534 -8.710 -6.256 -0.177 83 HG23 ILE 534 3HG2 ILE 534 -8.476 -7.913 -0.730 84 HD11 ILE 534 1HD1 ILE 534 -7.895 -10.103 0.246 85 HD12 ILE 534 2HD1 ILE 534 -6.251 -10.363 0.832 86 HD13 ILE 534 3HD1 ILE 534 -7.599 -10.339 1.969 87 H LYS 535 H LYS 535 -5.948 -6.276 3.496 88 HA LYS 535 HA LYS 535 -7.098 -7.238 6.030 89 HB2 LYS 535 1HB LYS 535 -4.340 -7.963 5.040 90 HB3 LYS 535 2HB LYS 535 -5.174 -8.602 6.451 91 HG2 LYS 535 1HG LYS 535 -6.932 -9.342 4.614 92 HG3 LYS 535 2HG LYS 535 -5.502 -9.271 3.583 93 HD2 LYS 535 1HD LYS 535 -5.388 -11.444 4.314 94 HD3 LYS 535 2HD LYS 535 -4.414 -10.638 5.546 95 HE2 LYS 535 1HE LYS 535 -6.602 -10.433 6.864 96 HE3 LYS 535 2HE LYS 535 -7.243 -11.625 5.735 97 HZ1 LYS 535 1HZ LYS 535 -6.213 -12.431 7.924 98 HZ2 LYS 535 2HZ LYS 535 -4.724 -12.134 7.179 99 HZ3 LYS 535 3HZ LYS 535 -5.803 -13.246 6.499 100 HA PRO 536 HA PRO 536 -5.294 -3.502 7.583 101 HB2 PRO 536 1HB PRO 536 -5.692 -4.016 10.219 102 HB3 PRO 536 2HB PRO 536 -6.992 -3.518 9.130 103 HG2 PRO 536 1HG PRO 536 -6.269 -6.260 10.090 104 HG3 PRO 536 2HG PRO 536 -7.872 -5.519 9.926 105 HD2 PRO 536 1HD PRO 536 -6.873 -7.250 8.099 106 HD3 PRO 536 2HD PRO 536 -7.963 -5.919 7.657 107 H TYR 537 H TYR 537 -3.397 -2.823 8.569 108 HA TYR 537 HA TYR 537 -1.707 -4.608 10.036 109 HB2 TYR 537 1HB TYR 537 -1.495 -4.921 7.335 110 HB3 TYR 537 2HB TYR 537 -0.268 -3.695 7.633 111 HD1 TYR 537 1HD TYR 537 -1.406 -7.020 8.890 112 HD2 TYR 537 2HD TYR 537 1.857 -4.355 8.290 113 HE1 TYR 537 1HE TYR 537 0.153 -8.771 9.632 114 HE2 TYR 537 2HE TYR 537 3.424 -6.100 9.029 115 HH TYR 537 HH TYR 537 3.076 -9.007 9.027 116 H GLN 538 H GLN 538 0.170 -3.566 10.885 117 HA GLN 538 HA GLN 538 0.080 -0.629 10.663 118 HB2 GLN 538 1HB GLN 538 0.442 -2.413 13.048 119 HB3 GLN 538 2HB GLN 538 1.107 -0.785 13.053 120 HG2 GLN 538 1HG GLN 538 -1.780 -1.570 12.753 121 HG3 GLN 538 2HG GLN 538 -1.028 -0.749 14.119 122 HE21 GLN 538 1HE2 GLN 538 -0.930 2.416 12.570 123 HE22 GLN 538 2HE2 GLN 538 -0.179 1.399 13.747 124 HA PRO 539 HA PRO 539 4.325 -0.582 9.563 125 HB2 PRO 539 1HB PRO 539 5.217 1.642 10.840 126 HB3 PRO 539 2HB PRO 539 4.158 1.706 9.426 127 HG2 PRO 539 1HG PRO 539 3.462 1.960 12.326 128 HG3 PRO 539 2HG PRO 539 2.875 2.908 10.948 129 HD2 PRO 539 1HD PRO 539 1.432 0.903 12.057 130 HD3 PRO 539 2HD PRO 539 1.349 1.296 10.329 131 H GLN 540 H GLN 540 5.958 -1.808 10.245 132 HA GLN 540 HA GLN 540 6.722 -1.710 13.081 133 HB2 GLN 540 1HB GLN 540 6.601 -4.246 11.444 134 HB3 GLN 540 2HB GLN 540 7.009 -4.107 13.149 135 HG2 GLN 540 1HG GLN 540 4.333 -3.363 11.999 136 HG3 GLN 540 2HG GLN 540 4.711 -4.942 12.686 137 HE21 GLN 540 1HE2 GLN 540 3.246 -2.327 15.106 138 HE22 GLN 540 2HE2 GLN 540 2.931 -2.551 13.422 139 H VAL 541 H VAL 541 7.671 -1.005 10.105 140 HA VAL 541 HA VAL 541 10.491 -1.407 10.754 141 HB VAL 541 HB VAL 541 9.449 -2.082 8.007 142 HG11 VAL 541 1HG1 VAL 541 12.096 -1.919 9.287 143 HG12 VAL 541 2HG1 VAL 541 11.827 -3.328 8.259 144 HG13 VAL 541 3HG1 VAL 541 11.634 -1.703 7.599 145 HG21 VAL 541 1HG2 VAL 541 8.569 -3.700 9.612 146 HG22 VAL 541 2HG2 VAL 541 9.793 -4.435 8.576 147 HG23 VAL 541 3HG2 VAL 541 10.196 -3.979 10.232 148 H ASP 542 H ASP 542 11.915 0.030 9.662 149 HA ASP 542 HA ASP 542 10.983 2.636 9.370 150 HB2 ASP 542 1HB ASP 542 13.515 1.250 8.554 151 HB3 ASP 542 2HB ASP 542 13.238 2.924 8.084 152 H GLY 543 H GLY 543 9.570 3.320 7.898 153 HA2 GLY 543 1HA GLY 543 9.300 4.076 5.610 154 HA3 GLY 543 2HA GLY 543 10.054 2.579 5.084 155 H GLU 544 H GLU 544 8.569 0.855 6.839 156 HA GLU 544 HA GLU 544 6.432 0.161 5.239 157 HB2 GLU 544 1HB GLU 544 7.266 -0.474 8.009 158 HB3 GLU 544 2HB GLU 544 5.587 -0.813 7.609 159 HG2 GLU 544 1HG GLU 544 6.665 -1.969 5.510 160 HG3 GLU 544 2HG GLU 544 8.077 -2.051 6.563 161 H ILE 545 H ILE 545 4.152 0.343 5.493 162 HA ILE 545 HA ILE 545 3.257 2.608 7.141 163 HB ILE 545 HB ILE 545 1.586 2.964 5.134 164 HG12 ILE 545 1HG1 ILE 545 4.040 1.858 3.750 165 HG13 ILE 545 2HG1 ILE 545 2.473 1.060 3.825 166 HG21 ILE 545 1HG2 ILE 545 2.673 4.903 4.862 167 HG22 ILE 545 2HG2 ILE 545 3.758 4.295 6.113 168 HG23 ILE 545 3HG2 ILE 545 4.179 4.105 4.411 169 HD11 ILE 545 1HD1 ILE 545 1.473 2.863 2.552 170 HD12 ILE 545 2HD1 ILE 545 3.018 3.715 2.518 171 HD13 ILE 545 3HD1 ILE 545 2.844 2.171 1.685 172 HA PRO 546 HA PRO 546 -0.096 0.081 8.414 173 HB2 PRO 546 1HB PRO 546 -2.119 1.879 8.617 174 HB3 PRO 546 2HB PRO 546 -0.767 1.822 9.754 175 HG2 PRO 546 1HG PRO 546 -1.194 3.634 7.410 176 HG3 PRO 546 2HG PRO 546 -0.595 4.026 9.032 177 HD2 PRO 546 1HD PRO 546 1.054 3.714 6.908 178 HD3 PRO 546 2HD PRO 546 1.537 3.287 8.561 179 H LEU 547 H LEU 547 -2.404 -0.516 7.894 180 HA LEU 547 HA LEU 547 -3.251 0.069 5.175 181 HB2 LEU 547 1HB LEU 547 -2.436 -2.660 6.129 182 HB3 LEU 547 2HB LEU 547 -3.542 -2.433 4.777 183 HG LEU 547 HG LEU 547 -0.795 -1.216 4.797 184 HD11 LEU 547 1HD1 LEU 547 -1.346 -3.971 4.821 185 HD12 LEU 547 2HD1 LEU 547 0.180 -3.173 4.442 186 HD13 LEU 547 3HD1 LEU 547 -0.960 -3.551 3.153 187 HD21 LEU 547 1HD2 LEU 547 -2.910 -0.804 3.152 188 HD22 LEU 547 2HD2 LEU 547 -2.086 -2.122 2.319 189 HD23 LEU 547 3HD2 LEU 547 -1.222 -0.625 2.672 190 H HIS 548 H HIS 548 -5.427 -0.606 4.729 191 HA HIS 548 HA HIS 548 -6.998 -1.570 6.990 192 HB2 HIS 548 1HB HIS 548 -6.822 1.108 6.660 193 HB3 HIS 548 2HB HIS 548 -8.182 0.759 5.598 194 HD1 HIS 548 1HD HIS 548 -10.408 0.494 6.688 195 HD2 HIS 548 2HD HIS 548 -7.279 0.213 9.407 196 HE1 HIS 548 1HE HIS 548 -11.493 0.397 8.955 197 H ARG 549 H ARG 549 -9.076 -2.371 6.405 198 HA ARG 549 HA ARG 549 -9.125 -3.598 3.832 199 HB2 ARG 549 1HB ARG 549 -11.329 -3.454 5.895 200 HB3 ARG 549 2HB ARG 549 -11.230 -4.584 4.553 201 HG2 ARG 549 1HG ARG 549 -9.032 -5.358 5.608 202 HG3 ARG 549 2HG ARG 549 -9.570 -4.485 7.043 203 HD2 ARG 549 1HD ARG 549 -10.165 -6.868 7.126 204 HD3 ARG 549 2HD ARG 549 -11.586 -5.825 7.139 205 HE ARG 549 HE ARG 549 -10.990 -6.585 4.493 206 HH11 ARG 549 1HH1 ARG 549 -12.235 -7.887 7.472 207 HH12 ARG 549 2HH1 ARG 549 -13.202 -9.094 6.691 208 HH21 ARG 549 1HH2 ARG 549 -12.259 -8.170 3.454 209 HH22 ARG 549 2HH2 ARG 549 -13.215 -9.256 4.406 210 H GLY 550 H GLY 550 -9.784 -2.699 2.000 211 HA2 GLY 550 1HA GLY 550 -11.501 -1.726 0.658 212 HA3 GLY 550 2HA GLY 550 -12.062 -0.846 2.072 213 H ASP 551 H ASP 551 -8.751 -0.690 2.011 214 HA ASP 551 HA ASP 551 -8.832 2.059 1.078 215 HB2 ASP 551 1HB ASP 551 -7.160 0.494 2.861 216 HB3 ASP 551 2HB ASP 551 -6.189 1.425 1.722 217 H ARG 552 H ARG 552 -7.854 2.849 -0.723 218 HA ARG 552 HA ARG 552 -6.992 0.876 -2.693 219 HB2 ARG 552 1HB ARG 552 -7.375 3.836 -3.128 220 HB3 ARG 552 2HB ARG 552 -7.335 2.563 -4.342 221 HG2 ARG 552 1HG ARG 552 -9.482 3.004 -2.279 222 HG3 ARG 552 2HG ARG 552 -9.598 3.324 -4.010 223 HD2 ARG 552 1HD ARG 552 -8.948 0.792 -4.204 224 HD3 ARG 552 2HD ARG 552 -9.564 0.721 -2.554 225 HE ARG 552 HE ARG 552 -11.678 0.881 -3.395 226 HH11 ARG 552 1HH1 ARG 552 -9.433 2.024 -5.798 227 HH12 ARG 552 2HH1 ARG 552 -10.641 2.216 -7.024 228 HH21 ARG 552 1HH2 ARG 552 -13.278 1.130 -5.001 229 HH22 ARG 552 2HH2 ARG 552 -12.829 1.708 -6.569 230 H VAL 553 H VAL 553 -4.902 0.342 -2.309 231 HA VAL 553 HA VAL 553 -2.943 2.412 -1.730 232 HB VAL 553 HB VAL 553 -2.621 -0.581 -1.988 233 HG11 VAL 553 1HG1 VAL 553 -0.485 0.398 -0.544 234 HG12 VAL 553 2HG1 VAL 553 -0.450 -0.128 -2.228 235 HG13 VAL 553 3HG1 VAL 553 -0.679 1.578 -1.840 236 HG21 VAL 553 1HG2 VAL 553 -3.317 1.224 0.231 237 HG22 VAL 553 2HG2 VAL 553 -3.665 -0.491 0.009 238 HG23 VAL 553 3HG2 VAL 553 -2.082 0.018 0.593 239 H LYS 554 H LYS 554 -1.530 3.237 -3.149 240 HA LYS 554 HA LYS 554 -1.719 2.356 -5.928 241 HB2 LYS 554 1HB LYS 554 -1.997 4.721 -5.594 242 HB3 LYS 554 2HB LYS 554 -0.517 4.814 -4.649 243 HG2 LYS 554 1HG LYS 554 0.821 4.374 -6.588 244 HG3 LYS 554 2HG LYS 554 -0.618 4.061 -7.561 245 HD2 LYS 554 1HD LYS 554 -1.333 6.394 -7.208 246 HD3 LYS 554 2HD LYS 554 0.148 6.691 -6.294 247 HE2 LYS 554 1HE LYS 554 0.123 5.715 -9.143 248 HE3 LYS 554 2HE LYS 554 0.184 7.421 -8.706 249 HZ1 LYS 554 1HZ LYS 554 2.395 6.797 -9.020 250 HZ2 LYS 554 2HZ LYS 554 2.210 5.328 -8.203 251 HZ3 LYS 554 3HZ LYS 554 2.208 6.782 -7.338 252 H VAL 555 H VAL 555 -0.280 0.979 -6.710 253 HA VAL 555 HA VAL 555 2.257 0.585 -5.327 254 HB VAL 555 HB VAL 555 1.010 -0.955 -7.608 255 HG11 VAL 555 1HG1 VAL 555 3.471 -1.566 -5.973 256 HG12 VAL 555 2HG1 VAL 555 2.747 -2.625 -7.185 257 HG13 VAL 555 3HG1 VAL 555 3.445 -1.079 -7.667 258 HG21 VAL 555 1HG2 VAL 555 1.134 -1.420 -4.640 259 HG22 VAL 555 2HG2 VAL 555 -0.289 -1.348 -5.680 260 HG23 VAL 555 3HG2 VAL 555 0.813 -2.721 -5.788 261 H LEU 556 H LEU 556 4.227 1.056 -6.155 262 HA LEU 556 HA LEU 556 4.352 2.128 -8.891 263 HB2 LEU 556 1HB LEU 556 6.289 3.519 -7.498 264 HB3 LEU 556 2HB LEU 556 4.740 4.147 -8.056 265 HG LEU 556 HG LEU 556 4.938 2.832 -5.376 266 HD11 LEU 556 1HD1 LEU 556 5.712 4.741 -4.313 267 HD12 LEU 556 2HD1 LEU 556 5.391 5.771 -5.707 268 HD13 LEU 556 3HD1 LEU 556 6.744 4.640 -5.739 269 HD21 LEU 556 1HD2 LEU 556 2.974 3.929 -4.920 270 HD22 LEU 556 2HD2 LEU 556 2.798 3.637 -6.650 271 HD23 LEU 556 3HD2 LEU 556 3.302 5.225 -6.071 272 H SER 557 H SER 557 6.315 1.043 -6.125 273 HA SER 557 HA SER 557 8.114 -0.279 -8.049 274 HB2 SER 557 1HB SER 557 8.726 1.436 -5.693 275 HB3 SER 557 2HB SER 557 9.784 0.057 -5.991 276 HG SER 557 HG SER 557 9.120 2.017 -7.933 277 H ILE 558 H ILE 558 8.900 -2.311 -7.504 278 HA ILE 558 HA ILE 558 7.199 -3.864 -5.806 279 HB ILE 558 HB ILE 558 9.744 -4.647 -7.231 280 HG12 ILE 558 1HG1 ILE 558 7.845 -3.879 -8.680 281 HG13 ILE 558 2HG1 ILE 558 8.325 -5.552 -8.949 282 HG21 ILE 558 1HG2 ILE 558 7.755 -6.195 -5.627 283 HG22 ILE 558 2HG2 ILE 558 8.600 -6.968 -6.968 284 HG23 ILE 558 3HG2 ILE 558 9.517 -6.289 -5.624 285 HD11 ILE 558 1HD1 ILE 558 6.231 -5.308 -6.958 286 HD12 ILE 558 2HD1 ILE 558 5.771 -4.638 -8.524 287 HD13 ILE 558 3HD1 ILE 558 6.313 -6.312 -8.406 288 H GLY 559 H GLY 559 7.684 -4.894 -3.881 289 HA2 GLY 559 1HA GLY 559 9.759 -3.609 -2.301 290 HA3 GLY 559 2HA GLY 559 8.507 -4.688 -1.702 291 H GLU 560 H GLU 560 10.215 -5.691 -0.457 292 HA GLU 560 HA GLU 560 11.713 -7.648 -2.067 293 HB2 GLU 560 1HB GLU 560 13.476 -7.508 -0.220 294 HB3 GLU 560 2HB GLU 560 13.405 -6.176 -1.366 295 HG2 GLU 560 1HG GLU 560 12.251 -4.797 0.219 296 HG3 GLU 560 2HG GLU 560 12.108 -6.141 1.348 297 H GLY 561 H GLY 561 11.181 -9.667 -1.581 298 HA2 GLY 561 1HA GLY 561 10.646 -11.529 -0.326 299 HA3 GLY 561 2HA GLY 561 10.868 -10.560 1.123 300 H GLY 562 H GLY 562 8.605 -10.549 -1.642 301 HA2 GLY 562 1HA GLY 562 6.304 -10.700 -1.669 302 HA3 GLY 562 2HA GLY 562 6.363 -11.166 0.025 303 H PHE 563 H PHE 563 8.052 -8.310 -0.489 304 HA PHE 563 HA PHE 563 5.904 -6.783 0.752 305 HB2 PHE 563 1HB PHE 563 8.813 -6.670 0.733 306 HB3 PHE 563 2HB PHE 563 8.090 -5.089 0.451 307 HD1 PHE 563 1HD PHE 563 6.409 -4.219 2.117 308 HD2 PHE 563 2HD PHE 563 8.873 -7.606 2.874 309 HE1 PHE 563 1HE PHE 563 5.995 -3.978 4.531 310 HE2 PHE 563 2HE PHE 563 8.462 -7.371 5.289 311 HZ PHE 563 HZ PHE 563 7.020 -5.555 6.120 312 H TRP 564 H TRP 564 5.967 -4.336 0.014 313 HA TRP 564 HA TRP 564 6.268 -4.019 -2.850 314 HB2 TRP 564 1HB TRP 564 3.785 -4.819 -1.829 315 HB3 TRP 564 2HB TRP 564 3.621 -3.091 -2.129 316 HD1 TRP 564 HD TRP 564 5.525 -3.050 -4.765 317 HE1 TRP 564 1HE TRP 564 4.572 -3.995 -6.961 318 HE3 TRP 564 3HE TRP 564 1.796 -5.972 -2.841 319 HZ2 TRP 564 2HZ TRP 564 2.512 -5.746 -7.771 320 HZ3 TRP 564 3HZ TRP 564 0.380 -7.249 -4.394 321 HH2 TRP 564 HH TRP 564 0.730 -7.138 -6.808 322 H GLU 565 H GLU 565 6.405 -1.878 -3.501 323 HA GLU 565 HA GLU 565 6.503 0.076 -1.300 324 HB2 GLU 565 1HB GLU 565 8.538 -0.622 -2.945 325 HB3 GLU 565 2HB GLU 565 7.848 0.715 -3.854 326 HG2 GLU 565 1HG GLU 565 8.324 1.135 -0.963 327 HG3 GLU 565 2HG GLU 565 9.730 1.057 -2.022 328 H GLY 566 H GLY 566 4.691 1.246 -1.277 329 HA2 GLY 566 1HA GLY 566 3.974 2.758 -3.644 330 HA3 GLY 566 2HA GLY 566 2.758 1.608 -3.112 331 H SER 567 H SER 567 1.512 3.674 -2.955 332 HA SER 567 HA SER 567 1.996 4.966 -0.350 333 HB2 SER 567 1HB SER 567 2.215 6.743 -1.817 334 HB3 SER 567 2HB SER 567 1.064 6.070 -2.971 335 HG SER 567 HG SER 567 0.629 7.832 -1.005 336 H ALA 568 H ALA 568 0.299 5.198 1.060 337 HA ALA 568 HA ALA 568 -2.402 4.567 0.308 338 HB1 ALA 568 1HB ALA 568 -1.310 2.321 0.549 339 HB2 ALA 568 2HB ALA 568 -1.077 2.694 2.257 340 HB3 ALA 568 3HB ALA 568 -2.707 2.589 1.592 341 H ARG 569 H ARG 569 -3.922 5.032 1.958 342 HA ARG 569 HA ARG 569 -4.753 6.245 3.695 343 HB2 ARG 569 1HB ARG 569 -2.283 5.022 4.845 344 HB3 ARG 569 2HB ARG 569 -3.126 6.249 5.779 345 HG2 ARG 569 1HG ARG 569 -4.595 3.897 4.657 346 HG3 ARG 569 2HG ARG 569 -3.703 3.779 6.175 347 HD2 ARG 569 1HD ARG 569 -5.773 4.375 6.956 348 HD3 ARG 569 2HD ARG 569 -5.038 5.965 6.756 349 HE ARG 569 HE ARG 569 -6.417 5.137 4.406 350 HH11 ARG 569 1HH1 ARG 569 -6.874 6.466 7.591 351 HH12 ARG 569 2HH1 ARG 569 -8.354 7.270 7.186 352 HH21 ARG 569 1HH2 ARG 569 -8.365 6.190 3.860 353 HH22 ARG 569 2HH2 ARG 569 -9.202 7.111 5.063 354 H GLY 570 H GLY 570 -2.906 7.478 1.670 355 HA2 GLY 570 1HA GLY 570 -2.380 9.704 1.265 356 HA3 GLY 570 2HA GLY 570 -2.745 10.065 2.945 357 H HIS 571 H HIS 571 -0.587 7.461 2.403 358 HA HIS 571 HA HIS 571 1.730 9.212 2.875 359 HB2 HIS 571 1HB HIS 571 0.938 6.724 4.377 360 HB3 HIS 571 2HB HIS 571 2.603 7.297 4.351 361 HD1 HIS 571 1HD HIS 571 0.431 7.199 6.801 362 HD2 HIS 571 2HD HIS 571 1.885 10.520 4.773 363 HE1 HIS 571 1HE HIS 571 0.121 9.136 8.374 364 H ILE 572 H ILE 572 3.831 7.882 2.600 365 HA ILE 572 HA ILE 572 3.537 5.962 0.393 366 HB ILE 572 HB ILE 572 5.643 8.121 0.435 367 HG12 ILE 572 1HG1 ILE 572 4.058 8.679 -1.718 368 HG13 ILE 572 2HG1 ILE 572 2.864 8.140 -0.541 369 HG21 ILE 572 1HG2 ILE 572 6.539 6.490 -0.886 370 HG22 ILE 572 2HG2 ILE 572 4.964 5.860 -1.368 371 HG23 ILE 572 3HG2 ILE 572 5.577 7.348 -2.090 372 HD11 ILE 572 1HD1 ILE 572 4.511 10.574 -0.593 373 HD12 ILE 572 2HD1 ILE 572 2.885 10.308 0.038 374 HD13 ILE 572 3HD1 ILE 572 4.290 9.822 0.987 375 H GLY 573 H GLY 573 4.564 4.123 0.804 376 HA2 GLY 573 1HA GLY 573 7.208 3.975 1.801 377 HA3 GLY 573 2HA GLY 573 6.071 3.638 3.099 378 H TRP 574 H TRP 574 6.949 1.510 3.226 379 HA TRP 574 HA TRP 574 6.355 -0.243 0.953 380 HB2 TRP 574 1HB TRP 574 8.249 -0.352 3.237 381 HB3 TRP 574 2HB TRP 574 7.594 -1.888 2.677 382 HD1 TRP 574 HD TRP 574 8.100 -2.514 0.043 383 HE1 TRP 574 1HE TRP 574 10.131 -1.920 -1.422 384 HE3 TRP 574 3HE TRP 574 9.981 1.361 2.797 385 HZ2 TRP 574 2HZ TRP 574 12.251 -0.056 -1.411 386 HZ3 TRP 574 3HZ TRP 574 12.014 2.496 2.000 387 HH2 TRP 574 HH TRP 574 13.124 1.800 -0.061 388 H PHE 575 H PHE 575 5.447 -2.410 1.469 389 HA PHE 575 HA PHE 575 4.024 -2.866 3.874 390 HB2 PHE 575 1HB PHE 575 1.745 -2.569 3.111 391 HB3 PHE 575 2HB PHE 575 2.614 -1.049 2.930 392 HD1 PHE 575 1HD PHE 575 1.221 -3.940 1.130 393 HD2 PHE 575 2HD PHE 575 2.956 -0.068 0.794 394 HE1 PHE 575 1HE PHE 575 0.567 -3.856 -1.241 395 HE2 PHE 575 2HE PHE 575 2.305 0.022 -1.576 396 HZ PHE 575 HZ PHE 575 1.108 -1.873 -2.596 397 HA PRO 576 HA PRO 576 4.046 -6.946 2.257 398 HB2 PRO 576 1HB PRO 576 1.952 -8.044 3.593 399 HB3 PRO 576 2HB PRO 576 3.490 -7.655 4.372 400 HG2 PRO 576 1HG PRO 576 0.927 -6.107 4.358 401 HG3 PRO 576 2HG PRO 576 2.036 -6.424 5.705 402 HD2 PRO 576 1HD PRO 576 2.013 -4.074 4.360 403 HD3 PRO 576 2HD PRO 576 3.493 -4.757 5.064 404 H ALA 577 H ALA 577 3.346 -7.836 0.418 405 HA ALA 577 HA ALA 577 1.183 -6.734 -1.044 406 HB1 ALA 577 1HB ALA 577 1.752 -8.232 -2.761 407 HB2 ALA 577 2HB ALA 577 3.277 -7.856 -1.959 408 HB3 ALA 577 3HB ALA 577 2.464 -9.387 -1.632 409 H GLU 578 H GLU 578 1.449 -9.371 1.191 410 HA GLU 578 HA GLU 578 -0.860 -10.811 0.399 411 HB2 GLU 578 1HB GLU 578 -0.719 -11.803 2.694 412 HB3 GLU 578 2HB GLU 578 0.769 -11.911 1.765 413 HG2 GLU 578 1HG GLU 578 1.844 -10.316 3.057 414 HG3 GLU 578 2HG GLU 578 0.332 -9.651 3.670 415 H CYS 579 H CYS 579 -0.499 -7.794 1.841 416 HA CYS 579 HA CYS 579 -3.064 -7.905 3.235 417 HB2 CYS 579 1HB CYS 579 -0.722 -6.069 3.264 418 HB3 CYS 579 2HB CYS 579 -2.297 -5.375 3.628 419 HG CYS 579 HG CYS 579 -2.009 -8.116 5.371 420 H VAL 580 H VAL 580 -1.983 -7.323 0.171 421 HA VAL 580 HA VAL 580 -4.242 -5.516 -0.401 422 HB VAL 580 HB VAL 580 -2.888 -4.856 -2.462 423 HG11 VAL 580 1HG1 VAL 580 -1.562 -3.986 0.079 424 HG12 VAL 580 2HG1 VAL 580 -1.955 -3.036 -1.355 425 HG13 VAL 580 3HG1 VAL 580 -3.238 -3.557 -0.263 426 HG21 VAL 580 1HG2 VAL 580 -0.612 -5.944 -0.809 427 HG22 VAL 580 2HG2 VAL 580 -1.254 -6.712 -2.262 428 HG23 VAL 580 3HG2 VAL 580 -0.495 -5.124 -2.366 429 H GLU 581 H GLU 581 -5.309 -5.820 -2.436 430 HA GLU 581 HA GLU 581 -4.755 -8.283 -3.887 431 HB2 GLU 581 1HB GLU 581 -6.257 -9.047 -2.141 432 HB3 GLU 581 2HB GLU 581 -7.389 -7.753 -2.504 433 HG2 GLU 581 1HG GLU 581 -7.840 -8.715 -4.678 434 HG3 GLU 581 2HG GLU 581 -6.646 -9.979 -4.388 435 H GLU 582 H GLU 582 -5.480 -8.267 -5.992 436 HA GLU 582 HA GLU 582 -5.878 -5.768 -7.212 437 HB2 GLU 582 1HB GLU 582 -6.173 -8.601 -8.173 438 HB3 GLU 582 2HB GLU 582 -6.577 -7.246 -9.216 439 HG2 GLU 582 1HG GLU 582 -4.143 -6.474 -8.406 440 HG3 GLU 582 2HG GLU 582 -3.952 -8.223 -8.306 441 H VAL 583 H VAL 583 -7.689 -4.845 -8.197 442 HA VAL 583 HA VAL 583 -10.069 -4.869 -6.803 443 HB VAL 583 HB VAL 583 -9.790 -4.211 -9.738 444 HG11 VAL 583 1HG1 VAL 583 -11.799 -3.423 -7.639 445 HG12 VAL 583 2HG1 VAL 583 -11.643 -2.603 -9.194 446 HG13 VAL 583 3HG1 VAL 583 -12.089 -4.310 -9.134 447 HG21 VAL 583 1HG2 VAL 583 -8.244 -2.763 -8.944 448 HG22 VAL 583 2HG2 VAL 583 -9.675 -1.823 -8.517 449 HG23 VAL 583 3HG2 VAL 583 -8.876 -2.818 -7.299 450 H GLN 584 H GLN 584 -12.090 -5.800 -7.113 451 HA GLN 584 HA GLN 584 -12.199 -8.068 -8.986 452 HB2 GLN 584 1HB GLN 584 -13.604 -9.231 -7.218 453 HB3 GLN 584 2HB GLN 584 -11.884 -9.096 -6.880 454 HG2 GLN 584 1HG GLN 584 -12.209 -7.435 -5.270 455 HG3 GLN 584 2HG GLN 584 -13.847 -7.095 -5.827 456 HE21 GLN 584 1HE2 GLN 584 -13.138 -9.921 -3.050 457 HE22 GLN 584 2HE2 GLN 584 -11.881 -8.978 -3.769 458 H SER 585 H SER 585 -13.950 -8.133 -10.248 459 HA SER 585 HA SER 585 -15.749 -6.011 -10.412 460 HB2 SER 585 1HB SER 585 -15.445 -7.341 -12.355 461 HB3 SER 585 2HB SER 585 -15.854 -8.826 -11.496 462 HG SER 585 HG SER 585 -17.526 -7.809 -12.899 Start of MODEL 14 1 H1 MET 525 H MET 525 7.903 -7.549 -16.285 2 HA MET 525 HA MET 525 5.290 -8.876 -15.992 3 HB2 MET 525 1HB MET 525 6.251 -10.124 -14.071 4 HB3 MET 525 2HB MET 525 7.002 -10.532 -15.608 5 HG2 MET 525 1HG MET 525 8.889 -9.073 -15.071 6 HG3 MET 525 2HG MET 525 8.136 -8.677 -13.527 7 HE1 MET 525 1HE MET 525 9.998 -10.891 -11.356 8 HE2 MET 525 2HE MET 525 9.468 -9.276 -11.830 9 HE3 MET 525 3HE MET 525 8.284 -10.476 -11.310 10 H VAL 526 H VAL 526 5.798 -6.072 -15.846 11 HA VAL 526 HA VAL 526 6.223 -5.004 -13.339 12 HB VAL 526 HB VAL 526 4.579 -3.185 -14.068 13 HG11 VAL 526 1HG1 VAL 526 6.573 -3.549 -16.231 14 HG12 VAL 526 2HG1 VAL 526 6.255 -2.150 -15.203 15 HG13 VAL 526 3HG1 VAL 526 7.174 -3.518 -14.572 16 HG21 VAL 526 1HG2 VAL 526 3.396 -4.874 -15.618 17 HG22 VAL 526 2HG2 VAL 526 3.640 -3.225 -16.197 18 HG23 VAL 526 3HG2 VAL 526 4.703 -4.519 -16.748 19 HA PRO 527 HA PRO 527 2.866 -6.155 -10.756 20 HB2 PRO 527 1HB PRO 527 2.538 -3.910 -9.265 21 HB3 PRO 527 2HB PRO 527 3.917 -5.000 -9.070 22 HG2 PRO 527 1HG PRO 527 3.746 -2.410 -10.561 23 HG3 PRO 527 2HG PRO 527 5.034 -3.006 -9.498 24 HD2 PRO 527 1HD PRO 527 5.206 -3.115 -12.198 25 HD3 PRO 527 2HD PRO 527 5.950 -4.335 -11.144 26 H GLY 528 H GLY 528 0.784 -4.872 -9.732 27 HA2 GLY 528 1HA GLY 528 -0.912 -4.446 -12.017 28 HA3 GLY 528 2HA GLY 528 -1.407 -4.427 -10.331 29 H ARG 529 H ARG 529 -2.719 -2.606 -11.364 30 HA ARG 529 HA ARG 529 -1.169 -0.110 -11.433 31 HB2 ARG 529 1HB ARG 529 -3.825 -0.911 -12.584 32 HB3 ARG 529 2HB ARG 529 -3.427 0.785 -12.348 33 HG2 ARG 529 1HG ARG 529 -1.592 -1.032 -13.861 34 HG3 ARG 529 2HG ARG 529 -2.983 -0.276 -14.641 35 HD2 ARG 529 1HD ARG 529 -2.136 1.933 -13.904 36 HD3 ARG 529 2HD ARG 529 -0.706 1.132 -13.252 37 HE ARG 529 HE ARG 529 -0.824 0.343 -15.871 38 HH11 ARG 529 1HH1 ARG 529 -0.688 3.393 -14.198 39 HH12 ARG 529 2HH1 ARG 529 0.156 4.205 -15.475 40 HH21 ARG 529 1HH2 ARG 529 0.287 1.400 -17.559 41 HH22 ARG 529 2HH2 ARG 529 0.709 3.070 -17.386 42 H LEU 530 H LEU 530 -4.404 -1.166 -10.352 43 HA LEU 530 HA LEU 530 -4.073 0.581 -8.002 44 HB2 LEU 530 1HB LEU 530 -6.666 -0.167 -9.340 45 HB3 LEU 530 2HB LEU 530 -6.449 0.964 -8.006 46 HG LEU 530 HG LEU 530 -6.753 2.382 -9.795 47 HD11 LEU 530 1HD1 LEU 530 -4.375 2.461 -8.600 48 HD12 LEU 530 2HD1 LEU 530 -4.835 3.586 -9.876 49 HD13 LEU 530 3HD1 LEU 530 -3.836 2.183 -10.256 50 HD21 LEU 530 1HD2 LEU 530 -6.859 1.381 -11.790 51 HD22 LEU 530 2HD2 LEU 530 -5.693 0.141 -11.329 52 HD23 LEU 530 3HD2 LEU 530 -5.130 1.709 -11.908 53 H PHE 531 H PHE 531 -3.876 -0.514 -6.176 54 HA PHE 531 HA PHE 531 -5.105 -3.182 -5.987 55 HB2 PHE 531 1HB PHE 531 -2.672 -1.987 -4.674 56 HB3 PHE 531 2HB PHE 531 -3.442 -3.440 -4.044 57 HD1 PHE 531 1HD PHE 531 -1.686 -2.001 -6.947 58 HD2 PHE 531 2HD PHE 531 -3.141 -5.541 -5.086 59 HE1 PHE 531 1HE PHE 531 -0.413 -3.364 -8.552 60 HE2 PHE 531 2HE PHE 531 -1.870 -6.910 -6.688 61 HZ PHE 531 HZ PHE 531 -0.503 -5.822 -8.423 62 H VAL 532 H VAL 532 -6.019 -3.814 -3.932 63 HA VAL 532 HA VAL 532 -6.914 -1.545 -2.282 64 HB VAL 532 HB VAL 532 -8.788 -2.126 -3.672 65 HG11 VAL 532 1HG1 VAL 532 -8.576 -4.956 -2.659 66 HG12 VAL 532 2HG1 VAL 532 -9.686 -4.328 -3.879 67 HG13 VAL 532 3HG1 VAL 532 -7.958 -4.424 -4.223 68 HG21 VAL 532 1HG2 VAL 532 -10.427 -2.489 -2.023 69 HG22 VAL 532 2HG2 VAL 532 -9.331 -3.447 -1.027 70 HG23 VAL 532 3HG2 VAL 532 -9.090 -1.707 -1.180 71 H ALA 533 H ALA 533 -6.332 -1.793 -0.236 72 HA ALA 533 HA ALA 533 -5.173 -4.148 0.786 73 HB1 ALA 533 1HB ALA 533 -6.152 -1.625 2.088 74 HB2 ALA 533 2HB ALA 533 -5.448 -2.949 3.017 75 HB3 ALA 533 3HB ALA 533 -4.491 -2.134 1.780 76 H ILE 534 H ILE 534 -6.097 -5.950 1.489 77 HA ILE 534 HA ILE 534 -8.942 -5.875 2.233 78 HB ILE 534 HB ILE 534 -8.890 -8.346 1.848 79 HG12 ILE 534 1HG1 ILE 534 -6.338 -7.967 0.331 80 HG13 ILE 534 2HG1 ILE 534 -6.265 -8.274 2.062 81 HG21 ILE 534 1HG2 ILE 534 -8.090 -6.670 -0.527 82 HG22 ILE 534 2HG2 ILE 534 -8.983 -8.189 -0.568 83 HG23 ILE 534 3HG2 ILE 534 -9.712 -6.758 0.160 84 HD11 ILE 534 1HD1 ILE 534 -8.013 -10.101 0.603 85 HD12 ILE 534 2HD1 ILE 534 -6.316 -10.182 0.132 86 HD13 ILE 534 3HD1 ILE 534 -6.777 -10.430 1.817 87 H LYS 535 H LYS 535 -5.803 -6.315 3.462 88 HA LYS 535 HA LYS 535 -6.921 -7.350 5.982 89 HB2 LYS 535 1HB LYS 535 -4.229 -8.021 4.778 90 HB3 LYS 535 2HB LYS 535 -4.781 -8.529 6.368 91 HG2 LYS 535 1HG LYS 535 -6.416 -9.217 3.975 92 HG3 LYS 535 2HG LYS 535 -4.950 -10.137 4.321 93 HD2 LYS 535 1HD LYS 535 -7.018 -9.662 6.441 94 HD3 LYS 535 2HD LYS 535 -7.187 -10.983 5.281 95 HE2 LYS 535 1HE LYS 535 -4.813 -10.543 7.090 96 HE3 LYS 535 2HE LYS 535 -6.115 -11.694 7.384 97 HZ1 LYS 535 1HZ LYS 535 -3.874 -11.867 5.565 98 HZ2 LYS 535 2HZ LYS 535 -5.350 -12.369 4.910 99 HZ3 LYS 535 3HZ LYS 535 -4.757 -13.100 6.316 100 HA PRO 536 HA PRO 536 -5.229 -3.604 7.630 101 HB2 PRO 536 1HB PRO 536 -5.578 -4.205 10.254 102 HB3 PRO 536 2HB PRO 536 -6.909 -3.725 9.193 103 HG2 PRO 536 1HG PRO 536 -6.076 -6.466 10.066 104 HG3 PRO 536 2HG PRO 536 -7.706 -5.779 9.940 105 HD2 PRO 536 1HD PRO 536 -6.666 -7.419 8.053 106 HD3 PRO 536 2HD PRO 536 -7.809 -6.118 7.662 107 H TYR 537 H TYR 537 -3.307 -2.898 8.483 108 HA TYR 537 HA TYR 537 -1.544 -4.673 9.911 109 HB2 TYR 537 1HB TYR 537 -1.313 -5.073 7.327 110 HB3 TYR 537 2HB TYR 537 -0.395 -3.572 7.373 111 HD1 TYR 537 1HD TYR 537 1.696 -3.447 8.710 112 HD2 TYR 537 2HD TYR 537 -0.393 -7.111 8.152 113 HE1 TYR 537 1HE TYR 537 3.700 -4.689 9.410 114 HE2 TYR 537 2HE TYR 537 1.606 -8.363 8.852 115 HH TYR 537 HH TYR 537 3.782 -7.605 10.467 116 H GLN 538 H GLN 538 0.306 -3.595 10.778 117 HA GLN 538 HA GLN 538 0.118 -0.657 10.671 118 HB2 GLN 538 1HB GLN 538 0.569 -2.486 13.016 119 HB3 GLN 538 2HB GLN 538 1.058 -0.797 13.063 120 HG2 GLN 538 1HG GLN 538 -1.728 -1.867 12.688 121 HG3 GLN 538 2HG GLN 538 -1.088 -1.029 14.100 122 HE21 GLN 538 1HE2 GLN 538 -1.127 2.179 12.542 123 HE22 GLN 538 2HE2 GLN 538 -0.199 1.191 13.614 124 HA PRO 539 HA PRO 539 4.373 -0.483 9.618 125 HB2 PRO 539 1HB PRO 539 5.170 1.765 10.916 126 HB3 PRO 539 2HB PRO 539 4.134 1.798 9.484 127 HG2 PRO 539 1HG PRO 539 3.381 2.021 12.373 128 HG3 PRO 539 2HG PRO 539 2.788 2.954 10.987 129 HD2 PRO 539 1HD PRO 539 1.392 0.900 12.067 130 HD3 PRO 539 2HD PRO 539 1.325 1.294 10.338 131 H GLN 540 H GLN 540 5.985 -1.717 10.333 132 HA GLN 540 HA GLN 540 6.751 -1.553 13.165 133 HB2 GLN 540 1HB GLN 540 6.032 -3.975 11.577 134 HB3 GLN 540 2HB GLN 540 7.307 -4.113 12.778 135 HG2 GLN 540 1HG GLN 540 5.512 -4.691 14.044 136 HG3 GLN 540 2HG GLN 540 5.529 -2.951 14.323 137 HE21 GLN 540 1HE2 GLN 540 2.614 -4.623 11.989 138 HE22 GLN 540 2HE2 GLN 540 4.133 -5.416 12.202 139 H VAL 541 H VAL 541 7.697 -0.913 10.179 140 HA VAL 541 HA VAL 541 10.516 -1.314 10.828 141 HB VAL 541 HB VAL 541 9.459 -2.050 8.100 142 HG11 VAL 541 1HG1 VAL 541 11.825 -3.282 8.316 143 HG12 VAL 541 2HG1 VAL 541 11.651 -1.637 7.701 144 HG13 VAL 541 3HG1 VAL 541 12.121 -1.908 9.379 145 HG21 VAL 541 1HG2 VAL 541 8.562 -3.701 9.539 146 HG22 VAL 541 2HG2 VAL 541 10.008 -4.411 8.822 147 HG23 VAL 541 3HG2 VAL 541 10.054 -3.801 10.476 148 H ASP 542 H ASP 542 11.942 0.090 9.691 149 HA ASP 542 HA ASP 542 11.017 2.694 9.344 150 HB2 ASP 542 1HB ASP 542 13.535 1.369 8.322 151 HB3 ASP 542 2HB ASP 542 13.239 3.104 8.243 152 H GLY 543 H GLY 543 9.606 3.348 7.857 153 HA2 GLY 543 1HA GLY 543 9.337 4.051 5.553 154 HA3 GLY 543 2HA GLY 543 10.083 2.538 5.062 155 H GLU 544 H GLU 544 8.580 0.883 6.889 156 HA GLU 544 HA GLU 544 6.452 0.135 5.304 157 HB2 GLU 544 1HB GLU 544 7.253 -0.381 8.111 158 HB3 GLU 544 2HB GLU 544 5.581 -0.738 7.700 159 HG2 GLU 544 1HG GLU 544 6.432 -2.128 5.805 160 HG3 GLU 544 2HG GLU 544 8.056 -1.892 6.446 161 H ILE 545 H ILE 545 4.160 0.312 5.577 162 HA ILE 545 HA ILE 545 3.271 2.663 7.101 163 HB ILE 545 HB ILE 545 1.608 2.930 5.072 164 HG12 ILE 545 1HG1 ILE 545 4.070 1.769 3.751 165 HG13 ILE 545 2HG1 ILE 545 2.507 0.967 3.857 166 HG21 ILE 545 1HG2 ILE 545 3.595 4.400 6.030 167 HG22 ILE 545 2HG2 ILE 545 4.319 3.979 4.480 168 HG23 ILE 545 3HG2 ILE 545 2.768 4.814 4.529 169 HD11 ILE 545 1HD1 ILE 545 2.999 2.058 1.669 170 HD12 ILE 545 2HD1 ILE 545 1.500 2.580 2.437 171 HD13 ILE 545 3HD1 ILE 545 2.926 3.613 2.497 172 HA PRO 546 HA PRO 546 -0.097 0.209 8.475 173 HB2 PRO 546 1HB PRO 546 -2.115 2.023 8.585 174 HB3 PRO 546 2HB PRO 546 -0.767 2.014 9.729 175 HG2 PRO 546 1HG PRO 546 -1.178 3.715 7.301 176 HG3 PRO 546 2HG PRO 546 -0.585 4.181 8.906 177 HD2 PRO 546 1HD PRO 546 1.072 3.765 6.806 178 HD3 PRO 546 2HD PRO 546 1.546 3.414 8.480 179 H LEU 547 H LEU 547 -2.363 -0.460 7.963 180 HA LEU 547 HA LEU 547 -3.238 0.033 5.235 181 HB2 LEU 547 1HB LEU 547 -2.371 -2.658 6.256 182 HB3 LEU 547 2HB LEU 547 -3.467 -2.475 4.888 183 HG LEU 547 HG LEU 547 -0.740 -1.215 4.911 184 HD11 LEU 547 1HD1 LEU 547 -1.306 -3.997 4.914 185 HD12 LEU 547 2HD1 LEU 547 0.245 -3.187 4.693 186 HD13 LEU 547 3HD1 LEU 547 -0.771 -3.541 3.296 187 HD21 LEU 547 1HD2 LEU 547 -1.959 -2.185 2.431 188 HD22 LEU 547 2HD2 LEU 547 -1.170 -0.649 2.785 189 HD23 LEU 547 3HD2 LEU 547 -2.858 -0.896 3.231 190 H HIS 548 H HIS 548 -5.402 -0.663 4.824 191 HA HIS 548 HA HIS 548 -6.941 -1.634 7.104 192 HB2 HIS 548 1HB HIS 548 -6.808 1.030 6.806 193 HB3 HIS 548 2HB HIS 548 -8.128 0.692 5.690 194 HD1 HIS 548 1HD HIS 548 -10.366 0.696 6.729 195 HD2 HIS 548 2HD HIS 548 -7.388 -0.197 9.485 196 HE1 HIS 548 1HE HIS 548 -11.540 0.488 8.944 197 H ARG 549 H ARG 549 -8.996 -2.489 6.542 198 HA ARG 549 HA ARG 549 -9.053 -3.705 3.960 199 HB2 ARG 549 1HB ARG 549 -11.285 -3.651 5.993 200 HB3 ARG 549 2HB ARG 549 -11.031 -4.831 4.714 201 HG2 ARG 549 1HG ARG 549 -9.014 -5.622 5.823 202 HG3 ARG 549 2HG ARG 549 -9.237 -4.420 7.096 203 HD2 ARG 549 1HD ARG 549 -11.663 -5.679 7.059 204 HD3 ARG 549 2HD ARG 549 -10.557 -6.999 6.682 205 HE ARG 549 HE ARG 549 -9.734 -5.404 8.928 206 HH11 ARG 549 1HH1 ARG 549 -11.672 -8.102 7.885 207 HH12 ARG 549 2HH1 ARG 549 -11.673 -8.869 9.438 208 HH21 ARG 549 1HH2 ARG 549 -9.727 -6.406 10.977 209 HH22 ARG 549 2HH2 ARG 549 -10.566 -7.903 11.196 210 H GLY 550 H GLY 550 -9.714 -2.744 2.159 211 HA2 GLY 550 1HA GLY 550 -11.521 -1.839 0.863 212 HA3 GLY 550 2HA GLY 550 -12.065 -0.980 2.296 213 H ASP 551 H ASP 551 -8.762 -0.746 2.152 214 HA ASP 551 HA ASP 551 -8.930 2.005 1.238 215 HB2 ASP 551 1HB ASP 551 -7.196 0.483 2.984 216 HB3 ASP 551 2HB ASP 551 -6.253 1.397 1.810 217 H ARG 552 H ARG 552 -8.070 2.811 -0.606 218 HA ARG 552 HA ARG 552 -7.238 0.883 -2.618 219 HB2 ARG 552 1HB ARG 552 -7.677 3.860 -2.903 220 HB3 ARG 552 2HB ARG 552 -7.511 2.694 -4.208 221 HG2 ARG 552 1HG ARG 552 -9.767 2.857 -2.222 222 HG3 ARG 552 2HG ARG 552 -9.826 3.291 -3.931 223 HD2 ARG 552 1HD ARG 552 -8.923 0.757 -4.109 224 HD3 ARG 552 2HD ARG 552 -9.889 0.642 -2.638 225 HE ARG 552 HE ARG 552 -11.781 0.842 -3.909 226 HH11 ARG 552 1HH1 ARG 552 -9.030 1.839 -5.796 227 HH12 ARG 552 2HH1 ARG 552 -9.927 1.977 -7.271 228 HH21 ARG 552 1HH2 ARG 552 -12.973 1.018 -5.846 229 HH22 ARG 552 2HH2 ARG 552 -12.170 1.510 -7.298 230 H VAL 553 H VAL 553 -5.149 0.312 -2.351 231 HA VAL 553 HA VAL 553 -3.141 2.346 -1.781 232 HB VAL 553 HB VAL 553 -2.879 -0.650 -2.055 233 HG11 VAL 553 1HG1 VAL 553 -0.729 -0.110 -2.477 234 HG12 VAL 553 2HG1 VAL 553 -0.888 1.508 -1.792 235 HG13 VAL 553 3HG1 VAL 553 -0.664 0.117 -0.729 236 HG21 VAL 553 1HG2 VAL 553 -3.839 0.954 0.058 237 HG22 VAL 553 2HG2 VAL 553 -3.501 -0.777 0.074 238 HG23 VAL 553 3HG2 VAL 553 -2.244 0.371 0.535 239 H LYS 554 H LYS 554 -1.484 2.914 -3.148 240 HA LYS 554 HA LYS 554 -1.761 2.002 -5.936 241 HB2 LYS 554 1HB LYS 554 -2.282 4.404 -5.529 242 HB3 LYS 554 2HB LYS 554 -0.637 4.629 -4.950 243 HG2 LYS 554 1HG LYS 554 -0.462 5.345 -7.120 244 HG3 LYS 554 2HG LYS 554 0.019 3.653 -7.275 245 HD2 LYS 554 1HD LYS 554 -2.165 3.046 -8.068 246 HD3 LYS 554 2HD LYS 554 -2.784 4.666 -7.739 247 HE2 LYS 554 1HE LYS 554 -2.371 4.475 -10.092 248 HE3 LYS 554 2HE LYS 554 -1.162 5.556 -9.401 249 HZ1 LYS 554 1HZ LYS 554 -0.512 3.617 -11.035 250 HZ2 LYS 554 2HZ LYS 554 -0.489 2.718 -9.602 251 HZ3 LYS 554 3HZ LYS 554 0.504 4.077 -9.764 252 H VAL 555 H VAL 555 -0.201 0.653 -6.521 253 HA VAL 555 HA VAL 555 2.273 0.454 -5.090 254 HB VAL 555 HB VAL 555 1.399 -0.868 -7.662 255 HG11 VAL 555 1HG1 VAL 555 3.828 -0.791 -7.482 256 HG12 VAL 555 2HG1 VAL 555 3.740 -1.486 -5.863 257 HG13 VAL 555 3HG1 VAL 555 3.234 -2.437 -7.260 258 HG21 VAL 555 1HG2 VAL 555 0.007 -1.452 -5.736 259 HG22 VAL 555 2HG2 VAL 555 0.982 -2.824 -6.262 260 HG23 VAL 555 3HG2 VAL 555 1.450 -1.908 -4.830 261 H LEU 556 H LEU 556 4.328 0.999 -5.759 262 HA LEU 556 HA LEU 556 4.509 2.679 -8.173 263 HB2 LEU 556 1HB LEU 556 5.915 3.084 -5.537 264 HB3 LEU 556 2HB LEU 556 6.188 4.038 -6.994 265 HG LEU 556 HG LEU 556 3.684 3.954 -5.317 266 HD11 LEU 556 1HD1 LEU 556 5.970 5.400 -4.949 267 HD12 LEU 556 2HD1 LEU 556 4.367 5.868 -4.385 268 HD13 LEU 556 3HD1 LEU 556 4.983 6.502 -5.910 269 HD21 LEU 556 1HD2 LEU 556 4.058 4.626 -8.104 270 HD22 LEU 556 2HD2 LEU 556 3.475 6.007 -7.175 271 HD23 LEU 556 3HD2 LEU 556 2.571 4.491 -7.166 272 H SER 557 H SER 557 6.119 0.428 -6.003 273 HA SER 557 HA SER 557 7.678 -0.637 -8.163 274 HB2 SER 557 1HB SER 557 9.089 1.275 -7.604 275 HB3 SER 557 2HB SER 557 9.096 0.801 -5.906 276 HG SER 557 HG SER 557 10.899 -0.123 -6.595 277 H ILE 558 H ILE 558 8.657 -2.629 -7.652 278 HA ILE 558 HA ILE 558 7.312 -4.138 -5.672 279 HB ILE 558 HB ILE 558 9.836 -4.894 -7.145 280 HG12 ILE 558 1HG1 ILE 558 7.981 -4.203 -8.658 281 HG13 ILE 558 2HG1 ILE 558 8.410 -5.902 -8.823 282 HG21 ILE 558 1HG2 ILE 558 8.007 -6.305 -5.326 283 HG22 ILE 558 2HG2 ILE 558 8.452 -7.185 -6.786 284 HG23 ILE 558 3HG2 ILE 558 9.705 -6.607 -5.690 285 HD11 ILE 558 1HD1 ILE 558 6.336 -5.575 -6.865 286 HD12 ILE 558 2HD1 ILE 558 5.880 -4.828 -8.397 287 HD13 ILE 558 3HD1 ILE 558 6.345 -6.528 -8.347 288 H GLY 559 H GLY 559 8.069 -5.069 -3.761 289 HA2 GLY 559 1HA GLY 559 10.206 -3.536 -2.472 290 HA3 GLY 559 2HA GLY 559 9.008 -4.531 -1.657 291 H GLU 560 H GLU 560 10.037 -6.088 -0.595 292 HA GLU 560 HA GLU 560 11.752 -7.901 -2.076 293 HB2 GLU 560 1HB GLU 560 13.325 -6.214 -1.229 294 HB3 GLU 560 2HB GLU 560 12.737 -6.485 0.406 295 HG2 GLU 560 1HG GLU 560 13.770 -8.528 0.589 296 HG3 GLU 560 2HG GLU 560 13.818 -8.780 -1.155 297 H GLY 561 H GLY 561 11.110 -9.889 -1.594 298 HA2 GLY 561 1HA GLY 561 10.496 -11.721 -0.327 299 HA3 GLY 561 2HA GLY 561 10.711 -10.741 1.117 300 H GLY 562 H GLY 562 8.525 -10.689 -1.710 301 HA2 GLY 562 1HA GLY 562 6.226 -10.713 -1.812 302 HA3 GLY 562 2HA GLY 562 6.216 -11.254 -0.139 303 H PHE 563 H PHE 563 7.976 -8.391 -0.665 304 HA PHE 563 HA PHE 563 5.867 -6.858 0.656 305 HB2 PHE 563 1HB PHE 563 8.775 -6.830 0.690 306 HB3 PHE 563 2HB PHE 563 8.108 -5.221 0.436 307 HD1 PHE 563 1HD PHE 563 6.338 -4.405 2.083 308 HD2 PHE 563 2HD PHE 563 8.854 -7.759 2.817 309 HE1 PHE 563 1HE PHE 563 5.887 -4.212 4.494 310 HE2 PHE 563 2HE PHE 563 8.406 -7.572 5.229 311 HZ PHE 563 HZ PHE 563 6.920 -5.798 6.070 312 H TRP 564 H TRP 564 5.875 -4.437 -0.001 313 HA TRP 564 HA TRP 564 6.279 -4.018 -2.851 314 HB2 TRP 564 1HB TRP 564 3.748 -4.769 -1.850 315 HB3 TRP 564 2HB TRP 564 3.650 -3.045 -2.201 316 HD1 TRP 564 HD TRP 564 5.606 -3.129 -4.791 317 HE1 TRP 564 1HE TRP 564 4.677 -4.109 -6.982 318 HE3 TRP 564 3HE TRP 564 1.760 -5.900 -2.876 319 HZ2 TRP 564 2HZ TRP 564 2.591 -5.829 -7.791 320 HZ3 TRP 564 3HZ TRP 564 0.345 -7.184 -4.426 321 HH2 TRP 564 HH TRP 564 0.753 -7.147 -6.833 322 H GLU 565 H GLU 565 6.087 -1.779 -3.482 323 HA GLU 565 HA GLU 565 6.267 0.085 -1.207 324 HB2 GLU 565 1HB GLU 565 8.388 -0.586 -2.732 325 HB3 GLU 565 2HB GLU 565 7.751 0.751 -3.681 326 HG2 GLU 565 1HG GLU 565 8.151 1.085 -0.746 327 HG3 GLU 565 2HG GLU 565 9.531 1.180 -1.838 328 H GLY 566 H GLY 566 4.581 1.414 -1.239 329 HA2 GLY 566 1HA GLY 566 3.948 2.891 -3.642 330 HA3 GLY 566 2HA GLY 566 2.683 1.786 -3.125 331 H SER 567 H SER 567 1.297 3.598 -2.814 332 HA SER 567 HA SER 567 1.834 5.010 -0.287 333 HB2 SER 567 1HB SER 567 2.121 6.494 -2.303 334 HB3 SER 567 2HB SER 567 0.413 6.236 -2.660 335 HG SER 567 HG SER 567 0.052 7.794 -1.312 336 H ALA 568 H ALA 568 -0.006 5.544 0.968 337 HA ALA 568 HA ALA 568 -2.644 4.782 0.180 338 HB1 ALA 568 1HB ALA 568 -1.222 2.629 0.885 339 HB2 ALA 568 2HB ALA 568 -1.785 3.134 2.479 340 HB3 ALA 568 3HB ALA 568 -2.950 2.786 1.202 341 H ARG 569 H ARG 569 -4.110 5.869 1.362 342 HA ARG 569 HA ARG 569 -5.010 7.242 2.936 343 HB2 ARG 569 1HB ARG 569 -4.112 5.242 4.380 344 HB3 ARG 569 2HB ARG 569 -2.926 6.421 4.922 345 HG2 ARG 569 1HG ARG 569 -4.449 7.622 6.097 346 HG3 ARG 569 2HG ARG 569 -5.770 7.238 4.991 347 HD2 ARG 569 1HD ARG 569 -5.952 5.017 5.911 348 HD3 ARG 569 2HD ARG 569 -4.533 5.281 6.923 349 HE ARG 569 HE ARG 569 -6.543 7.216 7.450 350 HH11 ARG 569 1HH1 ARG 569 -5.675 3.895 8.030 351 HH12 ARG 569 2HH1 ARG 569 -6.559 3.788 9.516 352 HH21 ARG 569 1HH2 ARG 569 -7.710 7.087 9.406 353 HH22 ARG 569 2HH2 ARG 569 -7.716 5.604 10.298 354 H GLY 570 H GLY 570 -2.657 8.034 1.259 355 HA2 GLY 570 1HA GLY 570 -1.676 10.116 0.932 356 HA3 GLY 570 2HA GLY 570 -2.217 10.590 2.537 357 H HIS 571 H HIS 571 -0.533 7.613 2.338 358 HA HIS 571 HA HIS 571 1.967 8.917 3.181 359 HB2 HIS 571 1HB HIS 571 0.870 6.381 4.406 360 HB3 HIS 571 2HB HIS 571 2.288 7.289 4.924 361 HD1 HIS 571 1HD HIS 571 -0.887 6.659 6.111 362 HD2 HIS 571 2HD HIS 571 1.192 10.196 5.455 363 HE1 HIS 571 1HE HIS 571 -2.001 8.375 7.573 364 H ILE 572 H ILE 572 3.738 8.223 2.163 365 HA ILE 572 HA ILE 572 3.475 5.907 0.381 366 HB ILE 572 HB ILE 572 5.545 8.106 0.376 367 HG12 ILE 572 1HG1 ILE 572 3.801 7.842 -1.950 368 HG13 ILE 572 2HG1 ILE 572 2.910 8.207 -0.476 369 HG21 ILE 572 1HG2 ILE 572 5.448 5.520 -0.912 370 HG22 ILE 572 2HG2 ILE 572 5.532 6.829 -2.090 371 HG23 ILE 572 3HG2 ILE 572 6.764 6.692 -0.835 372 HD11 ILE 572 1HD1 ILE 572 5.299 9.840 -0.839 373 HD12 ILE 572 2HD1 ILE 572 4.087 10.041 -2.105 374 HD13 ILE 572 3HD1 ILE 572 3.652 10.306 -0.417 375 H GLY 573 H GLY 573 4.429 4.054 0.891 376 HA2 GLY 573 1HA GLY 573 7.043 3.905 2.012 377 HA3 GLY 573 2HA GLY 573 5.823 3.562 3.229 378 H TRP 574 H TRP 574 6.817 1.443 3.345 379 HA TRP 574 HA TRP 574 6.272 -0.298 1.052 380 HB2 TRP 574 1HB TRP 574 8.156 -0.380 3.340 381 HB3 TRP 574 2HB TRP 574 7.521 -1.930 2.796 382 HD1 TRP 574 HD TRP 574 8.101 -2.645 0.229 383 HE1 TRP 574 1HE TRP 574 10.099 -2.011 -1.266 384 HE3 TRP 574 3HE TRP 574 9.772 1.449 2.797 385 HZ2 TRP 574 2HZ TRP 574 12.116 -0.038 -1.346 386 HZ3 TRP 574 3HZ TRP 574 11.742 2.652 1.945 387 HH2 TRP 574 HH TRP 574 12.888 1.923 -0.083 388 H PHE 575 H PHE 575 5.363 -2.460 1.502 389 HA PHE 575 HA PHE 575 3.948 -2.998 3.897 390 HB2 PHE 575 1HB PHE 575 1.655 -2.740 3.076 391 HB3 PHE 575 2HB PHE 575 2.496 -1.194 3.069 392 HD1 PHE 575 1HD PHE 575 2.789 0.027 1.078 393 HD2 PHE 575 2HD PHE 575 1.330 -3.968 0.929 394 HE1 PHE 575 1HE PHE 575 2.219 0.327 -1.297 395 HE2 PHE 575 2HE PHE 575 0.759 -3.675 -1.446 396 HZ PHE 575 HZ PHE 575 1.203 -1.526 -2.562 397 HA PRO 576 HA PRO 576 3.999 -7.032 2.169 398 HB2 PRO 576 1HB PRO 576 1.906 -8.180 3.462 399 HB3 PRO 576 2HB PRO 576 3.437 -7.803 4.260 400 HG2 PRO 576 1HG PRO 576 0.865 -6.271 4.277 401 HG3 PRO 576 2HG PRO 576 1.970 -6.617 5.620 402 HD2 PRO 576 1HD PRO 576 1.937 -4.232 4.339 403 HD3 PRO 576 2HD PRO 576 3.418 -4.924 5.031 404 H ALA 577 H ALA 577 3.316 -7.869 0.299 405 HA ALA 577 HA ALA 577 1.182 -6.741 -1.165 406 HB1 ALA 577 1HB ALA 577 2.750 -9.276 -1.608 407 HB2 ALA 577 2HB ALA 577 1.604 -8.598 -2.766 408 HB3 ALA 577 3HB ALA 577 3.053 -7.692 -2.325 409 H GLU 578 H GLU 578 1.401 -9.486 0.975 410 HA GLU 578 HA GLU 578 -0.932 -10.845 0.177 411 HB2 GLU 578 1HB GLU 578 -0.854 -11.822 2.492 412 HB3 GLU 578 2HB GLU 578 0.631 -11.988 1.567 413 HG2 GLU 578 1HG GLU 578 1.774 -10.470 2.865 414 HG3 GLU 578 2HG GLU 578 0.301 -9.672 3.414 415 H CYS 579 H CYS 579 -0.517 -7.865 1.743 416 HA CYS 579 HA CYS 579 -3.100 -7.926 3.079 417 HB2 CYS 579 1HB CYS 579 -0.726 -6.159 3.108 418 HB3 CYS 579 2HB CYS 579 -2.277 -5.364 3.352 419 HG CYS 579 HG CYS 579 -1.691 -8.113 5.219 420 H VAL 580 H VAL 580 -1.778 -7.014 0.069 421 HA VAL 580 HA VAL 580 -4.152 -5.386 -0.551 422 HB VAL 580 HB VAL 580 -2.784 -4.618 -2.546 423 HG11 VAL 580 1HG1 VAL 580 -3.152 -3.414 -0.300 424 HG12 VAL 580 2HG1 VAL 580 -1.475 -3.848 0.038 425 HG13 VAL 580 3HG1 VAL 580 -1.862 -2.841 -1.357 426 HG21 VAL 580 1HG2 VAL 580 -0.455 -4.944 -2.593 427 HG22 VAL 580 2HG2 VAL 580 -0.430 -5.601 -0.957 428 HG23 VAL 580 3HG2 VAL 580 -1.136 -6.538 -2.272 429 H GLU 581 H GLU 581 -5.374 -5.836 -2.365 430 HA GLU 581 HA GLU 581 -4.699 -8.299 -3.829 431 HB2 GLU 581 1HB GLU 581 -6.431 -8.836 -2.203 432 HB3 GLU 581 2HB GLU 581 -7.417 -7.499 -2.778 433 HG2 GLU 581 1HG GLU 581 -8.194 -9.666 -3.611 434 HG3 GLU 581 2HG GLU 581 -7.716 -8.577 -4.912 435 H GLU 582 H GLU 582 -5.437 -8.419 -5.983 436 HA GLU 582 HA GLU 582 -5.547 -5.874 -7.307 437 HB2 GLU 582 1HB GLU 582 -5.464 -8.731 -8.190 438 HB3 GLU 582 2HB GLU 582 -5.931 -7.490 -9.344 439 HG2 GLU 582 1HG GLU 582 -3.730 -6.338 -8.443 440 HG3 GLU 582 2HG GLU 582 -3.307 -8.008 -8.068 441 H VAL 583 H VAL 583 -7.306 -4.751 -7.794 442 HA VAL 583 HA VAL 583 -9.880 -5.395 -7.045 443 HB VAL 583 HB VAL 583 -10.661 -3.607 -8.490 444 HG11 VAL 583 1HG1 VAL 583 -7.969 -2.789 -7.426 445 HG12 VAL 583 2HG1 VAL 583 -9.437 -1.818 -7.548 446 HG13 VAL 583 3HG1 VAL 583 -9.345 -3.138 -6.380 447 HG21 VAL 583 1HG2 VAL 583 -9.108 -2.471 -10.036 448 HG22 VAL 583 2HG2 VAL 583 -7.912 -3.729 -9.727 449 HG23 VAL 583 3HG2 VAL 583 -9.438 -4.137 -10.510 450 H GLN 584 H GLN 584 -11.710 -6.162 -8.116 451 HA GLN 584 HA GLN 584 -11.145 -7.735 -10.541 452 HB2 GLN 584 1HB GLN 584 -13.135 -9.124 -9.766 453 HB3 GLN 584 2HB GLN 584 -11.657 -9.268 -8.824 454 HG2 GLN 584 1HG GLN 584 -13.741 -7.303 -7.998 455 HG3 GLN 584 2HG GLN 584 -13.960 -9.016 -7.641 456 HE21 GLN 584 1HE2 GLN 584 -11.338 -9.173 -5.276 457 HE22 GLN 584 2HE2 GLN 584 -12.217 -10.082 -6.454 458 H SER 585 H SER 585 -12.205 -7.211 -12.333 459 HA SER 585 HA SER 585 -14.601 -5.511 -12.085 460 HB2 SER 585 1HB SER 585 -13.820 -4.130 -13.699 461 HB3 SER 585 2HB SER 585 -12.250 -4.834 -13.314 462 HG SER 585 HG SER 585 -12.260 -5.440 -15.322 Start of MODEL 15 1 H1 MET 525 H MET 525 7.887 -8.068 -15.940 2 HA MET 525 HA MET 525 5.090 -8.970 -16.040 3 HB2 MET 525 1HB MET 525 7.212 -9.991 -14.143 4 HB3 MET 525 2HB MET 525 5.505 -10.408 -14.081 5 HG2 MET 525 1HG MET 525 5.626 -11.781 -15.895 6 HG3 MET 525 2HG MET 525 6.973 -10.899 -16.611 7 HE1 MET 525 1HE MET 525 8.157 -13.988 -16.840 8 HE2 MET 525 2HE MET 525 7.359 -14.815 -15.501 9 HE3 MET 525 3HE MET 525 6.426 -13.772 -16.576 10 H VAL 526 H VAL 526 5.656 -6.341 -15.833 11 HA VAL 526 HA VAL 526 6.163 -5.218 -13.366 12 HB VAL 526 HB VAL 526 4.579 -3.360 -14.124 13 HG11 VAL 526 1HG1 VAL 526 6.187 -2.469 -15.583 14 HG12 VAL 526 2HG1 VAL 526 7.090 -3.559 -14.529 15 HG13 VAL 526 3HG1 VAL 526 6.666 -4.064 -16.165 16 HG21 VAL 526 1HG2 VAL 526 3.397 -5.153 -15.656 17 HG22 VAL 526 2HG2 VAL 526 3.496 -3.460 -16.139 18 HG23 VAL 526 3HG2 VAL 526 4.625 -4.635 -16.812 19 HA PRO 527 HA PRO 527 2.807 -6.163 -10.699 20 HB2 PRO 527 1HB PRO 527 2.589 -3.864 -9.272 21 HB3 PRO 527 2HB PRO 527 3.928 -5.000 -9.065 22 HG2 PRO 527 1HG PRO 527 3.831 -2.450 -10.630 23 HG3 PRO 527 2HG PRO 527 5.113 -3.064 -9.569 24 HD2 PRO 527 1HD PRO 527 5.238 -3.259 -12.267 25 HD3 PRO 527 2HD PRO 527 5.950 -4.475 -11.188 26 H GLY 528 H GLY 528 0.799 -4.749 -9.677 27 HA2 GLY 528 1HA GLY 528 -0.878 -4.258 -11.989 28 HA3 GLY 528 2HA GLY 528 -1.400 -4.321 -10.311 29 H ARG 529 H ARG 529 -2.605 -2.419 -11.534 30 HA ARG 529 HA ARG 529 -1.041 0.046 -11.386 31 HB2 ARG 529 1HB ARG 529 -2.682 -0.601 -13.300 32 HB3 ARG 529 2HB ARG 529 -3.933 -0.092 -12.175 33 HG2 ARG 529 1HG ARG 529 -3.622 1.878 -13.230 34 HG3 ARG 529 2HG ARG 529 -2.354 2.045 -12.014 35 HD2 ARG 529 1HD ARG 529 -0.686 1.298 -13.577 36 HD3 ARG 529 2HD ARG 529 -1.922 0.926 -14.780 37 HE ARG 529 HE ARG 529 -0.775 3.488 -14.220 38 HH11 ARG 529 1HH1 ARG 529 -3.623 1.855 -15.377 39 HH12 ARG 529 2HH1 ARG 529 -4.174 3.202 -16.316 40 HH21 ARG 529 1HH2 ARG 529 -1.490 5.270 -15.452 41 HH22 ARG 529 2HH2 ARG 529 -2.959 5.144 -16.359 42 H LEU 530 H LEU 530 -4.299 -0.970 -10.332 43 HA LEU 530 HA LEU 530 -3.917 0.681 -7.920 44 HB2 LEU 530 1HB LEU 530 -6.532 0.009 -9.259 45 HB3 LEU 530 2HB LEU 530 -6.290 1.092 -7.889 46 HG LEU 530 HG LEU 530 -6.585 2.577 -9.621 47 HD11 LEU 530 1HD1 LEU 530 -4.640 3.745 -9.708 48 HD12 LEU 530 2HD1 LEU 530 -3.676 2.330 -10.129 49 HD13 LEU 530 3HD1 LEU 530 -4.192 2.581 -8.460 50 HD21 LEU 530 1HD2 LEU 530 -6.731 1.681 -11.657 51 HD22 LEU 530 2HD2 LEU 530 -5.630 0.365 -11.245 52 HD23 LEU 530 3HD2 LEU 530 -4.988 1.921 -11.774 53 H PHE 531 H PHE 531 -3.906 -0.381 -6.057 54 HA PHE 531 HA PHE 531 -5.094 -3.075 -5.975 55 HB2 PHE 531 1HB PHE 531 -2.665 -1.937 -4.605 56 HB3 PHE 531 2HB PHE 531 -3.451 -3.402 -4.026 57 HD1 PHE 531 1HD PHE 531 -3.136 -5.473 -5.113 58 HD2 PHE 531 2HD PHE 531 -1.670 -1.891 -6.880 59 HE1 PHE 531 1HE PHE 531 -1.856 -6.804 -6.740 60 HE2 PHE 531 2HE PHE 531 -0.389 -3.214 -8.511 61 HZ PHE 531 HZ PHE 531 -0.481 -5.674 -8.443 62 H VAL 532 H VAL 532 -5.985 -3.757 -3.906 63 HA VAL 532 HA VAL 532 -6.903 -1.517 -2.230 64 HB VAL 532 HB VAL 532 -8.780 -2.059 -3.610 65 HG11 VAL 532 1HG1 VAL 532 -8.493 -4.933 -2.749 66 HG12 VAL 532 2HG1 VAL 532 -9.667 -4.272 -3.890 67 HG13 VAL 532 3HG1 VAL 532 -7.953 -4.300 -4.304 68 HG21 VAL 532 1HG2 VAL 532 -10.359 -2.291 -1.970 69 HG22 VAL 532 2HG2 VAL 532 -9.487 -3.591 -1.158 70 HG23 VAL 532 3HG2 VAL 532 -8.946 -1.922 -0.982 71 H ALA 533 H ALA 533 -6.310 -1.797 -0.192 72 HA ALA 533 HA ALA 533 -5.169 -4.182 0.792 73 HB1 ALA 533 1HB ALA 533 -4.439 -2.204 1.811 74 HB2 ALA 533 2HB ALA 533 -6.085 -1.649 2.117 75 HB3 ALA 533 3HB ALA 533 -5.423 -2.996 3.042 76 H ILE 534 H ILE 534 -6.100 -5.967 1.528 77 HA ILE 534 HA ILE 534 -8.947 -5.865 2.266 78 HB ILE 534 HB ILE 534 -8.961 -8.310 1.862 79 HG12 ILE 534 1HG1 ILE 534 -6.349 -8.087 0.433 80 HG13 ILE 534 2HG1 ILE 534 -6.327 -8.307 2.180 81 HG21 ILE 534 1HG2 ILE 534 -9.785 -7.062 0.075 82 HG22 ILE 534 2HG2 ILE 534 -8.196 -6.416 -0.329 83 HG23 ILE 534 3HG2 ILE 534 -8.574 -8.103 -0.672 84 HD11 ILE 534 1HD1 ILE 534 -7.323 -10.403 2.045 85 HD12 ILE 534 2HD1 ILE 534 -7.912 -10.121 0.406 86 HD13 ILE 534 3HD1 ILE 534 -6.191 -10.379 0.693 87 H LYS 535 H LYS 535 -5.828 -6.272 3.519 88 HA LYS 535 HA LYS 535 -6.953 -7.292 6.039 89 HB2 LYS 535 1HB LYS 535 -4.257 -8.016 4.876 90 HB3 LYS 535 2HB LYS 535 -4.875 -8.538 6.438 91 HG2 LYS 535 1HG LYS 535 -6.844 -9.489 4.994 92 HG3 LYS 535 2HG LYS 535 -5.643 -9.420 3.702 93 HD2 LYS 535 1HD LYS 535 -5.377 -11.564 4.565 94 HD3 LYS 535 2HD LYS 535 -4.104 -10.646 5.373 95 HE2 LYS 535 1HE LYS 535 -5.133 -11.961 7.046 96 HE3 LYS 535 2HE LYS 535 -5.727 -10.318 7.280 97 HZ1 LYS 535 1HZ LYS 535 -7.359 -11.916 5.524 98 HZ2 LYS 535 2HZ LYS 535 -7.811 -10.930 6.821 99 HZ3 LYS 535 3HZ LYS 535 -7.282 -12.511 7.106 100 HA PRO 536 HA PRO 536 -5.182 -3.569 7.651 101 HB2 PRO 536 1HB PRO 536 -5.529 -4.143 10.281 102 HB3 PRO 536 2HB PRO 536 -6.855 -3.647 9.224 103 HG2 PRO 536 1HG PRO 536 -6.069 -6.394 10.114 104 HG3 PRO 536 2HG PRO 536 -7.686 -5.678 9.991 105 HD2 PRO 536 1HD PRO 536 -6.687 -7.352 8.112 106 HD3 PRO 536 2HD PRO 536 -7.807 -6.034 7.716 107 H TYR 537 H TYR 537 -3.246 -2.891 8.495 108 HA TYR 537 HA TYR 537 -1.505 -4.701 9.913 109 HB2 TYR 537 1HB TYR 537 -1.286 -5.073 7.322 110 HB3 TYR 537 2HB TYR 537 -0.344 -3.588 7.386 111 HD1 TYR 537 1HD TYR 537 1.759 -3.514 8.693 112 HD2 TYR 537 2HD TYR 537 -0.407 -7.135 8.147 113 HE1 TYR 537 1HE TYR 537 3.744 -4.797 9.373 114 HE2 TYR 537 2HE TYR 537 1.572 -8.428 8.827 115 HH TYR 537 HH TYR 537 3.619 -8.294 9.785 116 H GLN 538 H GLN 538 0.359 -3.656 10.790 117 HA GLN 538 HA GLN 538 0.204 -0.714 10.719 118 HB2 GLN 538 1HB GLN 538 0.418 -2.610 13.003 119 HB3 GLN 538 2HB GLN 538 1.299 -1.093 13.121 120 HG2 GLN 538 1HG GLN 538 -1.042 -1.175 14.106 121 HG3 GLN 538 2HG GLN 538 -0.648 0.184 13.054 122 HE21 GLN 538 1HE2 GLN 538 -3.271 -0.419 10.911 123 HE22 GLN 538 2HE2 GLN 538 -2.088 0.656 11.565 124 HA PRO 539 HA PRO 539 4.454 -0.559 9.648 125 HB2 PRO 539 1HB PRO 539 5.292 1.641 11.001 126 HB3 PRO 539 2HB PRO 539 4.244 1.728 9.580 127 HG2 PRO 539 1HG PRO 539 3.518 1.879 12.481 128 HG3 PRO 539 2HG PRO 539 2.925 2.858 11.127 129 HD2 PRO 539 1HD PRO 539 1.512 0.792 12.160 130 HD3 PRO 539 2HD PRO 539 1.435 1.237 10.444 131 H GLN 540 H GLN 540 6.057 -1.830 10.313 132 HA GLN 540 HA GLN 540 6.835 -1.768 13.147 133 HB2 GLN 540 1HB GLN 540 6.641 -4.271 11.463 134 HB3 GLN 540 2HB GLN 540 7.151 -4.183 13.144 135 HG2 GLN 540 1HG GLN 540 4.428 -3.320 12.221 136 HG3 GLN 540 2HG GLN 540 4.796 -4.968 12.727 137 HE21 GLN 540 1HE2 GLN 540 3.679 -2.426 15.458 138 HE22 GLN 540 2HE2 GLN 540 3.302 -2.395 13.773 139 H VAL 541 H VAL 541 7.775 -1.040 10.171 140 HA VAL 541 HA VAL 541 10.596 -1.447 10.808 141 HB VAL 541 HB VAL 541 9.542 -2.121 8.064 142 HG11 VAL 541 1HG1 VAL 541 12.195 -1.943 9.327 143 HG12 VAL 541 2HG1 VAL 541 11.927 -3.362 8.312 144 HG13 VAL 541 3HG1 VAL 541 11.724 -1.744 7.639 145 HG21 VAL 541 1HG2 VAL 541 10.145 -3.930 10.393 146 HG22 VAL 541 2HG2 VAL 541 8.646 -3.805 9.473 147 HG23 VAL 541 3HG2 VAL 541 10.084 -4.497 8.723 148 H ASP 542 H ASP 542 12.018 -0.019 9.692 149 HA ASP 542 HA ASP 542 11.087 2.592 9.413 150 HB2 ASP 542 1HB ASP 542 13.612 1.212 8.551 151 HB3 ASP 542 2HB ASP 542 13.331 2.902 8.140 152 H GLY 543 H GLY 543 9.669 3.281 7.949 153 HA2 GLY 543 1HA GLY 543 9.392 4.038 5.661 154 HA3 GLY 543 2HA GLY 543 10.136 2.536 5.132 155 H GLU 544 H GLU 544 8.638 0.843 6.930 156 HA GLU 544 HA GLU 544 6.505 0.126 5.340 157 HB2 GLU 544 1HB GLU 544 7.312 -0.441 8.133 158 HB3 GLU 544 2HB GLU 544 5.637 -0.786 7.722 159 HG2 GLU 544 1HG GLU 544 6.497 -2.131 5.785 160 HG3 GLU 544 2HG GLU 544 8.111 -1.934 6.464 161 H ILE 545 H ILE 545 4.217 0.310 5.606 162 HA ILE 545 HA ILE 545 3.333 2.633 7.175 163 HB ILE 545 HB ILE 545 1.667 2.939 5.156 164 HG12 ILE 545 1HG1 ILE 545 4.117 1.781 3.809 165 HG13 ILE 545 2HG1 ILE 545 2.547 0.991 3.906 166 HG21 ILE 545 1HG2 ILE 545 4.055 4.172 6.005 167 HG22 ILE 545 2HG2 ILE 545 4.092 4.137 4.244 168 HG23 ILE 545 3HG2 ILE 545 2.732 4.884 5.083 169 HD11 ILE 545 1HD1 ILE 545 2.971 3.659 2.594 170 HD12 ILE 545 2HD1 ILE 545 3.054 2.121 1.735 171 HD13 ILE 545 3HD1 ILE 545 1.549 2.620 2.507 172 HA PRO 546 HA PRO 546 -0.036 0.161 8.516 173 HB2 PRO 546 1HB PRO 546 -2.051 1.976 8.659 174 HB3 PRO 546 2HB PRO 546 -0.702 1.946 9.801 175 HG2 PRO 546 1HG PRO 546 -1.115 3.688 7.401 176 HG3 PRO 546 2HG PRO 546 -0.518 4.126 9.014 177 HD2 PRO 546 1HD PRO 546 1.134 3.742 6.903 178 HD3 PRO 546 2HD PRO 546 1.612 3.364 8.571 179 H LEU 547 H LEU 547 -2.310 -0.490 8.000 180 HA LEU 547 HA LEU 547 -3.180 0.044 5.277 181 HB2 LEU 547 1HB LEU 547 -2.332 -2.663 6.269 182 HB3 LEU 547 2HB LEU 547 -3.431 -2.461 4.906 183 HG LEU 547 HG LEU 547 -0.702 -1.206 4.925 184 HD11 LEU 547 1HD1 LEU 547 -0.673 -3.507 3.310 185 HD12 LEU 547 2HD1 LEU 547 -1.295 -4.002 4.883 186 HD13 LEU 547 3HD1 LEU 547 0.267 -3.192 4.771 187 HD21 LEU 547 1HD2 LEU 547 -1.891 -2.180 2.441 188 HD22 LEU 547 2HD2 LEU 547 -1.156 -0.621 2.814 189 HD23 LEU 547 3HD2 LEU 547 -2.840 -0.927 3.241 190 H HIS 548 H HIS 548 -5.349 -0.642 4.855 191 HA HIS 548 HA HIS 548 -6.896 -1.617 7.128 192 HB2 HIS 548 1HB HIS 548 -6.750 1.052 6.831 193 HB3 HIS 548 2HB HIS 548 -8.079 0.717 5.724 194 HD1 HIS 548 1HD HIS 548 -7.374 -0.854 9.113 195 HD2 HIS 548 2HD HIS 548 -10.263 1.416 7.171 196 HE1 HIS 548 1HE HIS 548 -9.279 -0.654 10.742 197 H ARG 549 H ARG 549 -8.975 -2.432 6.557 198 HA ARG 549 HA ARG 549 -9.027 -3.660 3.983 199 HB2 ARG 549 1HB ARG 549 -11.167 -3.559 6.117 200 HB3 ARG 549 2HB ARG 549 -11.155 -4.635 4.726 201 HG2 ARG 549 1HG ARG 549 -8.900 -5.458 5.649 202 HG3 ARG 549 2HG ARG 549 -9.401 -4.673 7.148 203 HD2 ARG 549 1HD ARG 549 -9.990 -7.054 7.117 204 HD3 ARG 549 2HD ARG 549 -11.417 -6.022 7.209 205 HE ARG 549 HE ARG 549 -10.930 -6.592 4.520 206 HH11 ARG 549 1HH1 ARG 549 -11.866 -8.242 7.439 207 HH12 ARG 549 2HH1 ARG 549 -12.781 -9.458 6.613 208 HH21 ARG 549 1HH2 ARG 549 -12.132 -8.188 3.420 209 HH22 ARG 549 2HH2 ARG 549 -12.931 -9.427 4.326 210 H GLY 550 H GLY 550 -9.695 -2.743 2.163 211 HA2 GLY 550 1HA GLY 550 -11.446 -1.798 0.839 212 HA3 GLY 550 2HA GLY 550 -12.011 -0.936 2.262 213 H ASP 551 H ASP 551 -8.704 -0.724 2.178 214 HA ASP 551 HA ASP 551 -8.832 2.034 1.292 215 HB2 ASP 551 1HB ASP 551 -7.031 0.408 2.928 216 HB3 ASP 551 2HB ASP 551 -6.181 1.509 1.846 217 H ARG 552 H ARG 552 -8.013 2.846 -0.559 218 HA ARG 552 HA ARG 552 -7.188 0.943 -2.595 219 HB2 ARG 552 1HB ARG 552 -7.649 3.924 -2.809 220 HB3 ARG 552 2HB ARG 552 -7.423 2.810 -4.151 221 HG2 ARG 552 1HG ARG 552 -9.676 2.507 -2.193 222 HG3 ARG 552 2HG ARG 552 -9.798 3.532 -3.625 223 HD2 ARG 552 1HD ARG 552 -8.932 0.668 -3.828 224 HD3 ARG 552 2HD ARG 552 -10.640 1.103 -3.773 225 HE ARG 552 HE ARG 552 -9.346 2.640 -5.741 226 HH11 ARG 552 1HH1 ARG 552 -10.360 -0.629 -5.107 227 HH12 ARG 552 2HH1 ARG 552 -10.562 -1.029 -6.781 228 HH21 ARG 552 1HH2 ARG 552 -9.608 2.125 -7.948 229 HH22 ARG 552 2HH2 ARG 552 -10.134 0.538 -8.396 230 H VAL 553 H VAL 553 -5.100 0.354 -2.306 231 HA VAL 553 HA VAL 553 -3.079 2.372 -1.735 232 HB VAL 553 HB VAL 553 -2.852 -0.627 -2.023 233 HG11 VAL 553 1HG1 VAL 553 -0.699 -0.137 -2.470 234 HG12 VAL 553 2HG1 VAL 553 -0.824 1.498 -1.819 235 HG13 VAL 553 3HG1 VAL 553 -0.604 0.127 -0.730 236 HG21 VAL 553 1HG2 VAL 553 -2.140 0.121 0.545 237 HG22 VAL 553 2HG2 VAL 553 -3.535 1.137 0.177 238 HG23 VAL 553 3HG2 VAL 553 -3.665 -0.618 0.055 239 H LYS 554 H LYS 554 -1.457 2.978 -3.111 240 HA LYS 554 HA LYS 554 -1.735 2.081 -5.903 241 HB2 LYS 554 1HB LYS 554 -2.140 4.560 -5.183 242 HB3 LYS 554 2HB LYS 554 -0.384 4.642 -5.121 243 HG2 LYS 554 1HG LYS 554 -1.915 3.737 -7.546 244 HG3 LYS 554 2HG LYS 554 -1.420 5.409 -7.265 245 HD2 LYS 554 1HD LYS 554 0.935 4.232 -6.885 246 HD3 LYS 554 2HD LYS 554 0.212 3.025 -7.951 247 HE2 LYS 554 1HE LYS 554 -0.301 4.843 -9.564 248 HE3 LYS 554 2HE LYS 554 0.564 5.967 -8.518 249 HZ1 LYS 554 1HZ LYS 554 2.224 3.770 -8.977 250 HZ2 LYS 554 2HZ LYS 554 2.437 5.364 -9.501 251 HZ3 LYS 554 3HZ LYS 554 1.611 4.257 -10.477 252 H VAL 555 H VAL 555 -0.196 0.693 -6.459 253 HA VAL 555 HA VAL 555 2.289 0.492 -5.055 254 HB VAL 555 HB VAL 555 1.363 -0.831 -7.609 255 HG11 VAL 555 1HG1 VAL 555 3.221 -2.404 -7.237 256 HG12 VAL 555 2HG1 VAL 555 3.788 -0.759 -7.540 257 HG13 VAL 555 3HG1 VAL 555 3.781 -1.403 -5.897 258 HG21 VAL 555 1HG2 VAL 555 1.507 -1.852 -4.774 259 HG22 VAL 555 2HG2 VAL 555 0.036 -1.438 -5.655 260 HG23 VAL 555 3HG2 VAL 555 1.028 -2.796 -6.184 261 H LEU 556 H LEU 556 4.336 1.048 -5.721 262 HA LEU 556 HA LEU 556 4.517 2.713 -8.145 263 HB2 LEU 556 1HB LEU 556 6.031 3.128 -5.572 264 HB3 LEU 556 2HB LEU 556 6.111 4.138 -7.015 265 HG LEU 556 HG LEU 556 3.623 3.792 -5.347 266 HD11 LEU 556 1HD1 LEU 556 5.768 5.901 -5.234 267 HD12 LEU 556 2HD1 LEU 556 5.242 4.828 -3.938 268 HD13 LEU 556 3HD1 LEU 556 4.162 6.090 -4.530 269 HD21 LEU 556 1HD2 LEU 556 3.752 4.613 -7.882 270 HD22 LEU 556 2HD2 LEU 556 4.125 6.140 -7.080 271 HD23 LEU 556 3HD2 LEU 556 2.619 5.296 -6.715 272 H SER 557 H SER 557 6.124 0.465 -5.972 273 HA SER 557 HA SER 557 7.685 -0.599 -8.134 274 HB2 SER 557 1HB SER 557 8.926 1.494 -7.172 275 HB3 SER 557 2HB SER 557 9.327 0.417 -5.835 276 HG SER 557 HG SER 557 9.994 0.143 -8.571 277 H ILE 558 H ILE 558 8.653 -2.600 -7.631 278 HA ILE 558 HA ILE 558 7.290 -4.114 -5.666 279 HB ILE 558 HB ILE 558 9.816 -4.871 -7.138 280 HG12 ILE 558 1HG1 ILE 558 7.959 -4.167 -8.645 281 HG13 ILE 558 2HG1 ILE 558 8.391 -5.863 -8.823 282 HG21 ILE 558 1HG2 ILE 558 9.642 -6.532 -5.592 283 HG22 ILE 558 2HG2 ILE 558 7.902 -6.327 -5.405 284 HG23 ILE 558 3HG2 ILE 558 8.542 -7.179 -6.810 285 HD11 ILE 558 1HD1 ILE 558 6.303 -5.508 -6.865 286 HD12 ILE 558 2HD1 ILE 558 5.860 -4.823 -8.429 287 HD13 ILE 558 3HD1 ILE 558 6.339 -6.516 -8.311 288 H GLY 559 H GLY 559 8.037 -5.061 -3.758 289 HA2 GLY 559 1HA GLY 559 10.175 -3.547 -2.451 290 HA3 GLY 559 2HA GLY 559 8.972 -4.543 -1.646 291 H GLU 560 H GLU 560 10.050 -6.059 -0.561 292 HA GLU 560 HA GLU 560 11.750 -7.883 -2.061 293 HB2 GLU 560 1HB GLU 560 13.148 -5.994 -0.974 294 HB3 GLU 560 2HB GLU 560 12.787 -6.803 0.544 295 HG2 GLU 560 1HG GLU 560 13.979 -8.717 -0.052 296 HG3 GLU 560 2HG GLU 560 13.986 -8.290 -1.762 297 H GLY 561 H GLY 561 11.105 -9.875 -1.602 298 HA2 GLY 561 1HA GLY 561 10.484 -11.719 -0.356 299 HA3 GLY 561 2HA GLY 561 10.686 -10.752 1.098 300 H GLY 562 H GLY 562 8.524 -10.680 -1.746 301 HA2 GLY 562 1HA GLY 562 6.225 -10.707 -1.867 302 HA3 GLY 562 2HA GLY 562 6.203 -11.259 -0.199 303 H PHE 563 H PHE 563 7.970 -8.397 -0.663 304 HA PHE 563 HA PHE 563 5.850 -6.876 0.650 305 HB2 PHE 563 1HB PHE 563 8.760 -6.833 0.676 306 HB3 PHE 563 2HB PHE 563 8.080 -5.227 0.443 307 HD1 PHE 563 1HD PHE 563 8.804 -7.825 2.784 308 HD2 PHE 563 2HD PHE 563 6.359 -4.405 2.113 309 HE1 PHE 563 1HE PHE 563 8.363 -7.669 5.200 310 HE2 PHE 563 2HE PHE 563 5.916 -4.243 4.527 311 HZ PHE 563 HZ PHE 563 6.918 -5.877 6.074 312 H TRP 564 H TRP 564 5.885 -4.438 0.007 313 HA TRP 564 HA TRP 564 6.270 -4.008 -2.841 314 HB2 TRP 564 1HB TRP 564 3.741 -4.762 -1.838 315 HB3 TRP 564 2HB TRP 564 3.642 -3.037 -2.178 316 HD1 TRP 564 HD TRP 564 5.601 -3.117 -4.772 317 HE1 TRP 564 1HE TRP 564 4.662 -4.077 -6.968 318 HE3 TRP 564 3HE TRP 564 1.738 -5.871 -2.867 319 HZ2 TRP 564 2HZ TRP 564 2.562 -5.778 -7.784 320 HZ3 TRP 564 3HZ TRP 564 0.311 -7.136 -4.423 321 HH2 TRP 564 HH TRP 564 0.716 -7.088 -6.831 322 H GLU 565 H GLU 565 6.073 -1.764 -3.458 323 HA GLU 565 HA GLU 565 6.255 0.088 -1.174 324 HB2 GLU 565 1HB GLU 565 8.380 -0.578 -2.695 325 HB3 GLU 565 2HB GLU 565 7.746 0.759 -3.644 326 HG2 GLU 565 1HG GLU 565 8.165 1.069 -0.704 327 HG3 GLU 565 2HG GLU 565 9.521 1.211 -1.821 328 H GLY 566 H GLY 566 4.567 1.412 -1.204 329 HA2 GLY 566 1HA GLY 566 3.952 2.931 -3.579 330 HA3 GLY 566 2HA GLY 566 2.690 1.795 -3.125 331 H SER 567 H SER 567 1.335 3.683 -2.865 332 HA SER 567 HA SER 567 1.776 4.998 -0.265 333 HB2 SER 567 1HB SER 567 2.066 6.782 -1.732 334 HB3 SER 567 2HB SER 567 0.890 6.157 -2.886 335 HG SER 567 HG SER 567 -0.674 7.092 -1.811 336 H ALA 568 H ALA 568 -0.085 5.464 0.975 337 HA ALA 568 HA ALA 568 -2.665 4.503 0.077 338 HB1 ALA 568 1HB ALA 568 -2.975 2.849 1.768 339 HB2 ALA 568 2HB ALA 568 -1.471 2.476 0.927 340 HB3 ALA 568 3HB ALA 568 -1.426 3.241 2.515 341 H ARG 569 H ARG 569 -4.241 5.720 0.913 342 HA ARG 569 HA ARG 569 -5.316 7.302 2.144 343 HB2 ARG 569 1HB ARG 569 -3.672 5.859 4.173 344 HB3 ARG 569 2HB ARG 569 -4.466 7.353 4.655 345 HG2 ARG 569 1HG ARG 569 -5.968 5.117 3.338 346 HG3 ARG 569 2HG ARG 569 -5.701 5.173 5.082 347 HD2 ARG 569 1HD ARG 569 -6.647 7.596 4.855 348 HD3 ARG 569 2HD ARG 569 -7.325 6.983 3.346 349 HE ARG 569 HE ARG 569 -8.818 5.726 4.558 350 HH11 ARG 569 1HH1 ARG 569 -6.341 6.953 6.672 351 HH12 ARG 569 2HH1 ARG 569 -7.154 6.465 8.122 352 HH21 ARG 569 1HH2 ARG 569 -9.899 5.079 6.459 353 HH22 ARG 569 2HH2 ARG 569 -9.177 5.399 8.001 354 H GLY 570 H GLY 570 -2.728 7.904 0.767 355 HA2 GLY 570 1HA GLY 570 -1.908 10.108 0.402 356 HA3 GLY 570 2HA GLY 570 -2.288 10.495 2.074 357 H HIS 571 H HIS 571 -1.026 7.919 2.952 358 HA HIS 571 HA HIS 571 1.621 8.974 3.310 359 HB2 HIS 571 1HB HIS 571 0.549 6.264 4.120 360 HB3 HIS 571 2HB HIS 571 1.993 7.057 4.746 361 HD1 HIS 571 1HD HIS 571 -0.188 6.183 6.685 362 HD2 HIS 571 2HD HIS 571 -0.026 9.959 4.961 363 HE1 HIS 571 1HE HIS 571 -1.493 7.682 8.226 364 H ILE 572 H ILE 572 3.576 7.665 2.907 365 HA ILE 572 HA ILE 572 3.345 5.862 0.606 366 HB ILE 572 HB ILE 572 5.382 8.085 0.720 367 HG12 ILE 572 1HG1 ILE 572 3.789 8.586 -1.461 368 HG13 ILE 572 2HG1 ILE 572 2.618 8.035 -0.270 369 HG21 ILE 572 1HG2 ILE 572 5.813 7.447 -1.610 370 HG22 ILE 572 2HG2 ILE 572 6.119 6.116 -0.495 371 HG23 ILE 572 3HG2 ILE 572 4.643 6.136 -1.459 372 HD11 ILE 572 1HD1 ILE 572 4.376 10.439 -0.224 373 HD12 ILE 572 2HD1 ILE 572 2.645 10.302 0.085 374 HD13 ILE 572 3HD1 ILE 572 3.802 9.738 1.289 375 H GLY 573 H GLY 573 4.409 4.037 0.985 376 HA2 GLY 573 1HA GLY 573 7.053 3.922 1.976 377 HA3 GLY 573 2HA GLY 573 5.929 3.545 3.273 378 H TRP 574 H TRP 574 6.844 1.431 3.366 379 HA TRP 574 HA TRP 574 6.283 -0.299 1.067 380 HB2 TRP 574 1HB TRP 574 8.175 -0.400 3.351 381 HB3 TRP 574 2HB TRP 574 7.534 -1.944 2.795 382 HD1 TRP 574 HD TRP 574 8.110 -2.640 0.223 383 HE1 TRP 574 1HE TRP 574 10.106 -2.000 -1.271 384 HE3 TRP 574 3HE TRP 574 9.792 1.432 2.817 385 HZ2 TRP 574 2HZ TRP 574 12.125 -0.029 -1.342 386 HZ3 TRP 574 3HZ TRP 574 11.761 2.638 1.969 387 HH2 TRP 574 HH TRP 574 12.903 1.921 -0.066 388 H PHE 575 H PHE 575 5.387 -2.473 1.530 389 HA PHE 575 HA PHE 575 3.974 -3.009 3.921 390 HB2 PHE 575 1HB PHE 575 1.678 -2.742 3.114 391 HB3 PHE 575 2HB PHE 575 2.525 -1.198 3.105 392 HD1 PHE 575 1HD PHE 575 1.327 -3.961 0.970 393 HD2 PHE 575 2HD PHE 575 2.822 0.022 1.112 394 HE1 PHE 575 1HE PHE 575 0.743 -3.661 -1.401 395 HE2 PHE 575 2HE PHE 575 2.239 0.329 -1.259 396 HZ PHE 575 HZ PHE 575 1.198 -1.514 -2.518 397 HA PRO 576 HA PRO 576 4.001 -7.038 2.180 398 HB2 PRO 576 1HB PRO 576 1.904 -8.181 3.471 399 HB3 PRO 576 2HB PRO 576 3.438 -7.813 4.267 400 HG2 PRO 576 1HG PRO 576 0.872 -6.270 4.293 401 HG3 PRO 576 2HG PRO 576 1.977 -6.626 5.633 402 HD2 PRO 576 1HD PRO 576 1.955 -4.237 4.361 403 HD3 PRO 576 2HD PRO 576 3.433 -4.938 5.050 404 H ALA 577 H ALA 577 3.318 -7.853 0.301 405 HA ALA 577 HA ALA 577 1.181 -6.714 -1.151 406 HB1 ALA 577 1HB ALA 577 2.574 -9.335 -1.681 407 HB2 ALA 577 2HB ALA 577 1.655 -8.371 -2.838 408 HB3 ALA 577 3HB ALA 577 3.172 -7.753 -2.185 409 H GLU 578 H GLU 578 1.408 -9.486 0.956 410 HA GLU 578 HA GLU 578 -0.927 -10.836 0.155 411 HB2 GLU 578 1HB GLU 578 -0.839 -11.873 2.418 412 HB3 GLU 578 2HB GLU 578 0.686 -11.952 1.548 413 HG2 GLU 578 1HG GLU 578 1.731 -10.489 2.953 414 HG3 GLU 578 2HG GLU 578 0.233 -9.674 3.400 415 H CYS 579 H CYS 579 -0.509 -7.873 1.756 416 HA CYS 579 HA CYS 579 -3.088 -7.945 3.095 417 HB2 CYS 579 1HB CYS 579 -0.719 -6.173 3.122 418 HB3 CYS 579 2HB CYS 579 -2.270 -5.378 3.367 419 HG CYS 579 HG CYS 579 -2.851 -6.412 5.732 420 H VAL 580 H VAL 580 -1.770 -6.989 0.089 421 HA VAL 580 HA VAL 580 -4.157 -5.372 -0.515 422 HB VAL 580 HB VAL 580 -2.797 -4.609 -2.523 423 HG11 VAL 580 1HG1 VAL 580 -1.489 -3.830 0.058 424 HG12 VAL 580 2HG1 VAL 580 -1.875 -2.826 -1.341 425 HG13 VAL 580 3HG1 VAL 580 -3.164 -3.397 -0.280 426 HG21 VAL 580 1HG2 VAL 580 -1.146 -6.515 -2.269 427 HG22 VAL 580 2HG2 VAL 580 -0.456 -4.917 -2.554 428 HG23 VAL 580 3HG2 VAL 580 -0.448 -5.604 -0.929 429 H GLU 581 H GLU 581 -5.351 -5.779 -2.375 430 HA GLU 581 HA GLU 581 -4.704 -8.252 -3.830 431 HB2 GLU 581 1HB GLU 581 -6.509 -8.537 -2.053 432 HB3 GLU 581 2HB GLU 581 -7.515 -7.496 -3.050 433 HG2 GLU 581 1HG GLU 581 -7.823 -9.078 -4.645 434 HG3 GLU 581 2HG GLU 581 -6.252 -9.828 -4.365 435 H GLU 582 H GLU 582 -5.449 -8.359 -5.982 436 HA GLU 582 HA GLU 582 -5.590 -5.798 -7.281 437 HB2 GLU 582 1HB GLU 582 -5.457 -8.644 -8.211 438 HB3 GLU 582 2HB GLU 582 -5.896 -7.374 -9.345 439 HG2 GLU 582 1HG GLU 582 -3.738 -6.221 -8.451 440 HG3 GLU 582 2HG GLU 582 -3.310 -7.856 -7.949 441 H VAL 583 H VAL 583 -7.281 -4.984 -8.525 442 HA VAL 583 HA VAL 583 -9.849 -5.207 -7.543 443 HB VAL 583 HB VAL 583 -9.152 -4.477 -10.391 444 HG11 VAL 583 1HG1 VAL 583 -11.175 -3.158 -10.337 445 HG12 VAL 583 2HG1 VAL 583 -11.553 -4.829 -9.915 446 HG13 VAL 583 3HG1 VAL 583 -11.457 -3.600 -8.654 447 HG21 VAL 583 1HG2 VAL 583 -7.797 -3.031 -9.226 448 HG22 VAL 583 2HG2 VAL 583 -9.296 -2.104 -9.285 449 HG23 VAL 583 3HG2 VAL 583 -8.864 -2.988 -7.822 450 H GLN 584 H GLN 584 -11.636 -6.406 -8.008 451 HA GLN 584 HA GLN 584 -11.354 -8.524 -10.032 452 HB2 GLN 584 1HB GLN 584 -12.593 -10.043 -8.514 453 HB3 GLN 584 2HB GLN 584 -11.032 -9.553 -7.867 454 HG2 GLN 584 1HG GLN 584 -12.334 -9.318 -6.016 455 HG3 GLN 584 2HG GLN 584 -12.458 -7.695 -6.692 456 HE21 GLN 584 1HE2 GLN 584 -15.894 -8.000 -6.297 457 HE22 GLN 584 2HE2 GLN 584 -14.429 -7.215 -5.825 458 H SER 585 H SER 585 -13.067 -8.841 -11.341 459 HA SER 585 HA SER 585 -15.548 -7.380 -10.716 460 HB2 SER 585 1HB SER 585 -15.569 -6.351 -12.736 461 HB3 SER 585 2HB SER 585 -13.839 -6.692 -12.733 462 HG SER 585 HG SER 585 -15.010 -7.386 -14.650 Start of MODEL 16 1 H1 MET 525 H MET 525 1.471 -10.210 -16.257 2 HA MET 525 HA MET 525 1.800 -9.816 -13.938 3 HB2 MET 525 1HB MET 525 4.051 -11.481 -15.064 4 HB3 MET 525 2HB MET 525 3.750 -11.324 -13.338 5 HG2 MET 525 1HG MET 525 1.738 -12.478 -13.456 6 HG3 MET 525 2HG MET 525 1.584 -12.222 -15.194 7 HE1 MET 525 1HE MET 525 3.467 -15.523 -12.884 8 HE2 MET 525 2HE MET 525 2.436 -14.177 -12.397 9 HE3 MET 525 3HE MET 525 1.761 -15.510 -13.334 10 H VAL 526 H VAL 526 2.262 -7.440 -14.246 11 HA VAL 526 HA VAL 526 4.869 -6.861 -13.076 12 HB VAL 526 HB VAL 526 5.050 -4.832 -14.632 13 HG11 VAL 526 1HG1 VAL 526 6.483 -5.984 -16.051 14 HG12 VAL 526 2HG1 VAL 526 6.394 -7.040 -14.639 15 HG13 VAL 526 3HG1 VAL 526 5.456 -7.418 -16.086 16 HG21 VAL 526 1HG2 VAL 526 3.225 -6.557 -16.305 17 HG22 VAL 526 2HG2 VAL 526 2.809 -4.995 -15.597 18 HG23 VAL 526 3HG2 VAL 526 4.050 -5.094 -16.846 19 HA PRO 527 HA PRO 527 2.621 -3.996 -10.625 20 HB2 PRO 527 1HB PRO 527 4.491 -2.077 -10.184 21 HB3 PRO 527 2HB PRO 527 4.556 -3.674 -9.429 22 HG2 PRO 527 1HG PRO 527 6.024 -2.651 -11.829 23 HG3 PRO 527 2HG PRO 527 6.627 -3.640 -10.486 24 HD2 PRO 527 1HD PRO 527 5.965 -4.697 -12.890 25 HD3 PRO 527 2HD PRO 527 5.766 -5.587 -11.366 26 H GLY 528 H GLY 528 2.016 -1.638 -10.452 27 HA2 GLY 528 1HA GLY 528 1.889 0.516 -11.578 28 HA3 GLY 528 2HA GLY 528 2.012 -0.344 -13.106 29 H ARG 529 H ARG 529 0.017 -1.774 -10.711 30 HA ARG 529 HA ARG 529 -2.365 -0.851 -12.177 31 HB2 ARG 529 1HB ARG 529 -1.785 -3.457 -10.775 32 HB3 ARG 529 2HB ARG 529 -3.407 -2.983 -11.260 33 HG2 ARG 529 1HG ARG 529 -1.131 -3.114 -13.211 34 HG3 ARG 529 2HG ARG 529 -2.133 -4.514 -12.826 35 HD2 ARG 529 1HD ARG 529 -4.132 -3.122 -13.442 36 HD3 ARG 529 2HD ARG 529 -3.009 -1.901 -14.038 37 HE ARG 529 HE ARG 529 -3.682 -4.404 -15.294 38 HH11 ARG 529 1HH1 ARG 529 -1.349 -1.831 -15.060 39 HH12 ARG 529 2HH1 ARG 529 -0.679 -2.119 -16.632 40 HH21 ARG 529 1HH2 ARG 529 -2.809 -4.795 -17.365 41 HH22 ARG 529 2HH2 ARG 529 -1.511 -3.805 -17.943 42 H LEU 530 H LEU 530 -4.418 -1.164 -10.728 43 HA LEU 530 HA LEU 530 -3.928 0.402 -8.313 44 HB2 LEU 530 1HB LEU 530 -6.295 -0.118 -10.052 45 HB3 LEU 530 2HB LEU 530 -6.550 0.390 -8.384 46 HG LEU 530 HG LEU 530 -6.680 2.291 -9.876 47 HD11 LEU 530 1HD1 LEU 530 -5.138 3.750 -8.771 48 HD12 LEU 530 2HD1 LEU 530 -4.092 2.399 -8.340 49 HD13 LEU 530 3HD1 LEU 530 -5.690 2.543 -7.609 50 HD21 LEU 530 1HD2 LEU 530 -3.825 2.219 -10.601 51 HD22 LEU 530 2HD2 LEU 530 -5.222 2.766 -11.529 52 HD23 LEU 530 3HD2 LEU 530 -4.856 1.044 -11.418 53 H PHE 531 H PHE 531 -3.628 -0.684 -6.489 54 HA PHE 531 HA PHE 531 -5.013 -3.246 -6.109 55 HB2 PHE 531 1HB PHE 531 -2.546 -2.063 -4.841 56 HB3 PHE 531 2HB PHE 531 -3.351 -3.483 -4.183 57 HD1 PHE 531 1HD PHE 531 -3.259 -5.606 -5.317 58 HD2 PHE 531 2HD PHE 531 -1.372 -2.162 -6.960 59 HE1 PHE 531 1HE PHE 531 -2.006 -7.040 -6.875 60 HE2 PHE 531 2HE PHE 531 -0.117 -3.590 -8.521 61 HZ PHE 531 HZ PHE 531 -0.434 -6.032 -8.481 62 H VAL 532 H VAL 532 -5.917 -3.725 -4.002 63 HA VAL 532 HA VAL 532 -6.709 -1.338 -2.473 64 HB VAL 532 HB VAL 532 -8.612 -1.882 -3.842 65 HG11 VAL 532 1HG1 VAL 532 -8.553 -4.665 -2.688 66 HG12 VAL 532 2HG1 VAL 532 -9.635 -4.038 -3.935 67 HG13 VAL 532 3HG1 VAL 532 -7.916 -4.245 -4.278 68 HG21 VAL 532 1HG2 VAL 532 -10.189 -1.815 -2.194 69 HG22 VAL 532 2HG2 VAL 532 -9.439 -3.116 -1.268 70 HG23 VAL 532 3HG2 VAL 532 -8.751 -1.492 -1.225 71 H ALA 533 H ALA 533 -6.179 -1.523 -0.405 72 HA ALA 533 HA ALA 533 -5.102 -3.860 0.727 73 HB1 ALA 533 1HB ALA 533 -6.078 -1.288 1.934 74 HB2 ALA 533 2HB ALA 533 -5.388 -2.588 2.907 75 HB3 ALA 533 3HB ALA 533 -4.417 -1.810 1.657 76 H ILE 534 H ILE 534 -6.079 -5.627 1.444 77 HA ILE 534 HA ILE 534 -8.928 -5.467 2.168 78 HB ILE 534 HB ILE 534 -8.962 -7.932 1.784 79 HG12 ILE 534 1HG1 ILE 534 -6.329 -7.584 0.371 80 HG13 ILE 534 2HG1 ILE 534 -6.393 -8.061 2.063 81 HG21 ILE 534 1HG2 ILE 534 -9.665 -7.508 -0.287 82 HG22 ILE 534 2HG2 ILE 534 -9.099 -5.858 -0.033 83 HG23 ILE 534 3HG2 ILE 534 -8.051 -7.038 -0.820 84 HD11 ILE 534 1HD1 ILE 534 -8.076 -9.865 1.077 85 HD12 ILE 534 2HD1 ILE 534 -7.104 -9.579 -0.367 86 HD13 ILE 534 3HD1 ILE 534 -6.331 -10.114 1.124 87 H LYS 535 H LYS 535 -5.834 -5.880 3.439 88 HA LYS 535 HA LYS 535 -6.971 -6.917 5.946 89 HB2 LYS 535 1HB LYS 535 -4.287 -7.654 4.763 90 HB3 LYS 535 2HB LYS 535 -4.868 -8.146 6.349 91 HG2 LYS 535 1HG LYS 535 -6.521 -8.800 3.966 92 HG3 LYS 535 2HG LYS 535 -5.056 -9.736 4.269 93 HD2 LYS 535 1HD LYS 535 -6.528 -10.984 5.478 94 HD3 LYS 535 2HD LYS 535 -6.081 -9.814 6.721 95 HE2 LYS 535 1HE LYS 535 -8.060 -8.574 6.407 96 HE3 LYS 535 2HE LYS 535 -8.421 -9.386 4.885 97 HZ1 LYS 535 1HZ LYS 535 -8.296 -10.904 7.412 98 HZ2 LYS 535 2HZ LYS 535 -9.093 -11.302 5.974 99 HZ3 LYS 535 3HZ LYS 535 -9.706 -10.080 6.970 100 HA PRO 536 HA PRO 536 -5.201 -3.201 7.575 101 HB2 PRO 536 1HB PRO 536 -5.573 -3.776 10.203 102 HB3 PRO 536 2HB PRO 536 -6.888 -3.273 9.133 103 HG2 PRO 536 1HG PRO 536 -6.121 -6.025 10.028 104 HG3 PRO 536 2HG PRO 536 -7.735 -5.302 9.891 105 HD2 PRO 536 1HD PRO 536 -6.725 -6.978 8.019 106 HD3 PRO 536 2HD PRO 536 -7.836 -5.654 7.615 107 H TYR 537 H TYR 537 -3.256 -2.539 8.395 108 HA TYR 537 HA TYR 537 -1.540 -4.344 9.851 109 HB2 TYR 537 1HB TYR 537 -1.322 -4.728 7.248 110 HB3 TYR 537 2HB TYR 537 -0.332 -3.275 7.334 111 HD1 TYR 537 1HD TYR 537 1.758 -3.277 8.656 112 HD2 TYR 537 2HD TYR 537 -0.529 -6.820 8.095 113 HE1 TYR 537 1HE TYR 537 3.689 -4.628 9.362 114 HE2 TYR 537 2HE TYR 537 1.395 -8.181 8.799 115 HH TYR 537 HH TYR 537 3.590 -8.162 9.271 116 H GLN 538 H GLN 538 0.326 -3.305 10.725 117 HA GLN 538 HA GLN 538 0.203 -0.363 10.610 118 HB2 GLN 538 1HB GLN 538 0.265 -2.218 12.908 119 HB3 GLN 538 2HB GLN 538 1.320 -0.817 13.036 120 HG2 GLN 538 1HG GLN 538 -1.000 -0.590 14.009 121 HG3 GLN 538 2HG GLN 538 -0.472 0.685 12.913 122 HE21 GLN 538 1HE2 GLN 538 -3.269 0.351 10.942 123 HE22 GLN 538 2HE2 GLN 538 -2.032 1.337 11.636 124 HA PRO 539 HA PRO 539 4.466 -0.261 9.589 125 HB2 PRO 539 1HB PRO 539 5.324 1.926 10.951 126 HB3 PRO 539 2HB PRO 539 4.290 2.030 9.522 127 HG2 PRO 539 1HG PRO 539 3.542 2.190 12.415 128 HG3 PRO 539 2HG PRO 539 2.975 3.178 11.057 129 HD2 PRO 539 1HD PRO 539 1.522 1.132 12.077 130 HD3 PRO 539 2HD PRO 539 1.468 1.579 10.360 131 H GLN 540 H GLN 540 6.007 -1.596 10.276 132 HA GLN 540 HA GLN 540 6.770 -1.537 13.115 133 HB2 GLN 540 1HB GLN 540 5.432 -3.636 11.947 134 HB3 GLN 540 2HB GLN 540 7.112 -4.137 11.806 135 HG2 GLN 540 1HG GLN 540 6.055 -4.975 13.847 136 HG3 GLN 540 2HG GLN 540 7.422 -3.914 14.188 137 HE21 GLN 540 1HE2 GLN 540 3.638 -2.507 14.901 138 HE22 GLN 540 2HE2 GLN 540 3.936 -3.583 13.583 139 H VAL 541 H VAL 541 7.748 -0.853 10.124 140 HA VAL 541 HA VAL 541 10.558 -1.262 10.808 141 HB VAL 541 HB VAL 541 9.536 -1.974 8.062 142 HG11 VAL 541 1HG1 VAL 541 11.857 -3.182 8.159 143 HG12 VAL 541 2HG1 VAL 541 11.762 -1.457 7.797 144 HG13 VAL 541 3HG1 VAL 541 12.192 -1.996 9.421 145 HG21 VAL 541 1HG2 VAL 541 10.188 -3.794 10.375 146 HG22 VAL 541 2HG2 VAL 541 8.621 -3.593 9.592 147 HG23 VAL 541 3HG2 VAL 541 9.959 -4.332 8.711 148 H ASP 542 H ASP 542 12.007 0.131 9.669 149 HA ASP 542 HA ASP 542 11.097 2.746 9.343 150 HB2 ASP 542 1HB ASP 542 13.605 1.504 8.192 151 HB3 ASP 542 2HB ASP 542 13.313 3.227 8.408 152 H GLY 543 H GLY 543 9.695 3.412 7.852 153 HA2 GLY 543 1HA GLY 543 9.457 4.135 5.547 154 HA3 GLY 543 2HA GLY 543 10.188 2.615 5.054 155 H GLU 544 H GLU 544 8.644 0.988 6.887 156 HA GLU 544 HA GLU 544 6.531 0.244 5.285 157 HB2 GLU 544 1HB GLU 544 7.300 -0.249 8.098 158 HB3 GLU 544 2HB GLU 544 5.615 -0.558 7.700 159 HG2 GLU 544 1HG GLU 544 6.510 -1.949 5.758 160 HG3 GLU 544 2HG GLU 544 8.069 -1.858 6.577 161 H ILE 545 H ILE 545 4.229 0.437 5.548 162 HA ILE 545 HA ILE 545 3.350 2.831 7.007 163 HB ILE 545 HB ILE 545 1.723 3.093 4.953 164 HG12 ILE 545 1HG1 ILE 545 4.174 1.864 3.673 165 HG13 ILE 545 2HG1 ILE 545 2.601 1.085 3.790 166 HG21 ILE 545 1HG2 ILE 545 3.650 4.584 5.901 167 HG22 ILE 545 2HG2 ILE 545 4.498 4.056 4.448 168 HG23 ILE 545 3HG2 ILE 545 2.965 4.916 4.311 169 HD11 ILE 545 1HD1 ILE 545 1.627 2.593 2.285 170 HD12 ILE 545 2HD1 ILE 545 2.975 3.722 2.415 171 HD13 ILE 545 3HD1 ILE 545 3.192 2.181 1.586 172 HA PRO 546 HA PRO 546 -0.061 0.430 8.374 173 HB2 PRO 546 1HB PRO 546 -2.051 2.275 8.452 174 HB3 PRO 546 2HB PRO 546 -0.715 2.254 9.609 175 HG2 PRO 546 1HG PRO 546 -1.077 3.943 7.164 176 HG3 PRO 546 2HG PRO 546 -0.492 4.412 8.771 177 HD2 PRO 546 1HD PRO 546 1.177 3.955 6.689 178 HD3 PRO 546 2HD PRO 546 1.631 3.609 8.370 179 H LEU 547 H LEU 547 -2.341 -0.195 7.849 180 HA LEU 547 HA LEU 547 -3.178 0.284 5.107 181 HB2 LEU 547 1HB LEU 547 -2.349 -2.402 6.164 182 HB3 LEU 547 2HB LEU 547 -3.459 -2.234 4.804 183 HG LEU 547 HG LEU 547 -0.717 -1.004 4.775 184 HD11 LEU 547 1HD1 LEU 547 -1.000 -3.460 3.257 185 HD12 LEU 547 2HD1 LEU 547 -1.159 -3.719 4.994 186 HD13 LEU 547 3HD1 LEU 547 0.287 -2.944 4.347 187 HD21 LEU 547 1HD2 LEU 547 -2.077 -2.003 2.354 188 HD22 LEU 547 2HD2 LEU 547 -1.118 -0.543 2.600 189 HD23 LEU 547 3HD2 LEU 547 -2.800 -0.595 3.132 190 H HIS 548 H HIS 548 -5.351 -0.375 4.682 191 HA HIS 548 HA HIS 548 -6.930 -1.295 6.954 192 HB2 HIS 548 1HB HIS 548 -6.742 1.372 6.601 193 HB3 HIS 548 2HB HIS 548 -8.086 1.025 5.518 194 HD1 HIS 548 1HD HIS 548 -7.219 -0.138 9.047 195 HD2 HIS 548 2HD HIS 548 -10.382 1.437 6.861 196 HE1 HIS 548 1HE HIS 548 -9.137 0.030 10.665 197 H ARG 549 H ARG 549 -8.987 -2.129 6.382 198 HA ARG 549 HA ARG 549 -9.043 -3.364 3.811 199 HB2 ARG 549 1HB ARG 549 -11.215 -3.247 5.912 200 HB3 ARG 549 2HB ARG 549 -11.143 -4.362 4.555 201 HG2 ARG 549 1HG ARG 549 -8.905 -5.120 5.561 202 HG3 ARG 549 2HG ARG 549 -9.449 -4.290 7.020 203 HD2 ARG 549 1HD ARG 549 -10.001 -6.685 7.051 204 HD3 ARG 549 2HD ARG 549 -11.439 -5.667 7.099 205 HE ARG 549 HE ARG 549 -10.708 -6.494 4.448 206 HH11 ARG 549 1HH1 ARG 549 -12.438 -7.369 7.338 207 HH12 ARG 549 2HH1 ARG 549 -13.517 -8.452 6.522 208 HH21 ARG 549 1HH2 ARG 549 -12.122 -7.916 3.360 209 HH22 ARG 549 2HH2 ARG 549 -13.335 -8.762 4.259 210 H GLY 550 H GLY 550 -9.702 -2.447 1.989 211 HA2 GLY 550 1HA GLY 550 -11.460 -1.508 0.663 212 HA3 GLY 550 2HA GLY 550 -12.013 -0.630 2.081 213 H ASP 551 H ASP 551 -8.701 -0.447 1.971 214 HA ASP 551 HA ASP 551 -8.817 2.303 1.051 215 HB2 ASP 551 1HB ASP 551 -7.168 0.793 2.850 216 HB3 ASP 551 2HB ASP 551 -6.148 1.568 1.640 217 H ARG 552 H ARG 552 -7.958 3.088 -0.798 218 HA ARG 552 HA ARG 552 -7.230 1.175 -2.841 219 HB2 ARG 552 1HB ARG 552 -7.413 4.191 -2.980 220 HB3 ARG 552 2HB ARG 552 -7.249 3.103 -4.352 221 HG2 ARG 552 1HG ARG 552 -9.569 2.944 -2.457 222 HG3 ARG 552 2HG ARG 552 -9.565 4.008 -3.864 223 HD2 ARG 552 1HD ARG 552 -8.847 1.145 -4.242 224 HD3 ARG 552 2HD ARG 552 -10.541 1.557 -3.983 225 HE ARG 552 HE ARG 552 -9.698 3.271 -5.940 226 HH11 ARG 552 1HH1 ARG 552 -9.762 -0.186 -5.534 227 HH12 ARG 552 2HH1 ARG 552 -9.929 -0.513 -7.226 228 HH21 ARG 552 1HH2 ARG 552 -9.919 2.853 -8.172 229 HH22 ARG 552 2HH2 ARG 552 -10.018 1.217 -8.726 230 H VAL 553 H VAL 553 -5.213 0.380 -2.554 231 HA VAL 553 HA VAL 553 -3.011 2.159 -1.885 232 HB VAL 553 HB VAL 553 -3.088 -0.828 -2.325 233 HG11 VAL 553 1HG1 VAL 553 -0.859 1.034 -2.187 234 HG12 VAL 553 2HG1 VAL 553 -0.765 -0.235 -0.964 235 HG13 VAL 553 3HG1 VAL 553 -0.889 -0.660 -2.672 236 HG21 VAL 553 1HG2 VAL 553 -4.084 -0.590 -0.287 237 HG22 VAL 553 2HG2 VAL 553 -2.396 -0.574 0.222 238 HG23 VAL 553 3HG2 VAL 553 -3.280 0.942 0.052 239 H LYS 554 H LYS 554 -1.490 2.866 -3.265 240 HA LYS 554 HA LYS 554 -1.703 1.992 -6.071 241 HB2 LYS 554 1HB LYS 554 -2.264 4.341 -5.775 242 HB3 LYS 554 2HB LYS 554 -0.750 4.623 -4.925 243 HG2 LYS 554 1HG LYS 554 -0.444 5.448 -7.106 244 HG3 LYS 554 2HG LYS 554 0.430 3.917 -7.038 245 HD2 LYS 554 1HD LYS 554 -2.391 3.798 -7.923 246 HD3 LYS 554 2HD LYS 554 -1.247 4.564 -9.028 247 HE2 LYS 554 1HE LYS 554 0.014 2.237 -8.099 248 HE3 LYS 554 2HE LYS 554 -1.649 1.774 -8.455 249 HZ1 LYS 554 1HZ LYS 554 -0.618 1.497 -10.474 250 HZ2 LYS 554 2HZ LYS 554 0.411 2.824 -10.273 251 HZ3 LYS 554 3HZ LYS 554 -1.223 3.069 -10.636 252 H VAL 555 H VAL 555 -0.154 0.576 -6.542 253 HA VAL 555 HA VAL 555 2.347 0.498 -5.135 254 HB VAL 555 HB VAL 555 1.452 -1.022 -7.588 255 HG11 VAL 555 1HG1 VAL 555 3.802 -1.495 -5.756 256 HG12 VAL 555 2HG1 VAL 555 3.296 -2.547 -7.079 257 HG13 VAL 555 3HG1 VAL 555 3.883 -0.920 -7.421 258 HG21 VAL 555 1HG2 VAL 555 1.479 -1.787 -4.671 259 HG22 VAL 555 2HG2 VAL 555 0.053 -1.506 -5.670 260 HG23 VAL 555 3HG2 VAL 555 1.107 -2.881 -6.003 261 H LEU 556 H LEU 556 4.386 0.994 -5.896 262 HA LEU 556 HA LEU 556 4.512 2.456 -8.449 263 HB2 LEU 556 1HB LEU 556 6.138 3.187 -6.032 264 HB3 LEU 556 2HB LEU 556 5.908 4.113 -7.514 265 HG LEU 556 HG LEU 556 3.700 3.577 -5.535 266 HD11 LEU 556 1HD1 LEU 556 4.294 6.216 -5.284 267 HD12 LEU 556 2HD1 LEU 556 5.899 5.510 -5.465 268 HD13 LEU 556 3HD1 LEU 556 4.831 4.953 -4.177 269 HD21 LEU 556 1HD2 LEU 556 2.974 4.120 -7.799 270 HD22 LEU 556 2HD2 LEU 556 3.984 5.566 -7.786 271 HD23 LEU 556 3HD2 LEU 556 2.611 5.437 -6.685 272 H SER 557 H SER 557 6.213 0.527 -6.044 273 HA SER 557 HA SER 557 7.872 -0.611 -8.131 274 HB2 SER 557 1HB SER 557 8.983 1.519 -7.025 275 HB3 SER 557 2HB SER 557 9.366 0.379 -5.736 276 HG SER 557 HG SER 557 10.141 0.282 -8.454 277 H ILE 558 H ILE 558 8.869 -2.581 -7.526 278 HA ILE 558 HA ILE 558 7.375 -4.120 -5.675 279 HB ILE 558 HB ILE 558 9.997 -4.771 -7.027 280 HG12 ILE 558 1HG1 ILE 558 8.083 -4.301 -8.554 281 HG13 ILE 558 2HG1 ILE 558 8.662 -5.960 -8.657 282 HG21 ILE 558 1HG2 ILE 558 8.274 -6.268 -5.161 283 HG22 ILE 558 2HG2 ILE 558 8.843 -7.157 -6.574 284 HG23 ILE 558 3HG2 ILE 558 10.004 -6.411 -5.476 285 HD11 ILE 558 1HD1 ILE 558 6.688 -6.778 -8.061 286 HD12 ILE 558 2HD1 ILE 558 6.535 -5.651 -6.712 287 HD13 ILE 558 3HD1 ILE 558 6.054 -5.156 -8.334 288 H GLY 559 H GLY 559 7.915 -4.948 -3.673 289 HA2 GLY 559 1HA GLY 559 9.773 -3.352 -2.138 290 HA3 GLY 559 2HA GLY 559 8.710 -4.605 -1.517 291 H GLU 560 H GLU 560 9.591 -6.488 -0.944 292 HA GLU 560 HA GLU 560 11.704 -7.779 -2.251 293 HB2 GLU 560 1HB GLU 560 13.475 -7.485 -0.495 294 HB3 GLU 560 2HB GLU 560 13.168 -6.059 -1.476 295 HG2 GLU 560 1HG GLU 560 11.640 -5.284 0.394 296 HG3 GLU 560 2HG GLU 560 12.354 -6.571 1.364 297 H GLY 561 H GLY 561 10.865 -9.742 -1.910 298 HA2 GLY 561 1HA GLY 561 10.532 -11.703 -0.712 299 HA3 GLY 561 2HA GLY 561 10.897 -10.825 0.767 300 H GLY 562 H GLY 562 8.387 -10.542 -1.757 301 HA2 GLY 562 1HA GLY 562 6.088 -10.838 -1.544 302 HA3 GLY 562 2HA GLY 562 6.322 -11.219 0.155 303 H PHE 563 H PHE 563 7.989 -8.443 -0.395 304 HA PHE 563 HA PHE 563 5.861 -6.842 0.785 305 HB2 PHE 563 1HB PHE 563 8.773 -6.814 0.825 306 HB3 PHE 563 2HB PHE 563 8.100 -5.215 0.525 307 HD1 PHE 563 1HD PHE 563 8.801 -7.718 2.973 308 HD2 PHE 563 2HD PHE 563 6.374 -4.320 2.150 309 HE1 PHE 563 1HE PHE 563 8.349 -7.463 5.379 310 HE2 PHE 563 2HE PHE 563 5.918 -4.059 4.554 311 HZ PHE 563 HZ PHE 563 6.907 -5.631 6.172 312 H TRP 564 H TRP 564 5.993 -4.409 0.037 313 HA TRP 564 HA TRP 564 6.378 -4.109 -2.820 314 HB2 TRP 564 1HB TRP 564 3.838 -4.825 -1.831 315 HB3 TRP 564 2HB TRP 564 3.742 -3.109 -2.218 316 HD1 TRP 564 HD TRP 564 5.767 -3.302 -4.779 317 HE1 TRP 564 1HE TRP 564 4.841 -4.303 -6.963 318 HE3 TRP 564 3HE TRP 564 1.799 -5.897 -2.865 319 HZ2 TRP 564 2HZ TRP 564 2.711 -5.972 -7.767 320 HZ3 TRP 564 3HZ TRP 564 0.367 -7.170 -4.409 321 HH2 TRP 564 HH TRP 564 0.815 -7.205 -6.809 322 H GLU 565 H GLU 565 5.988 -1.854 -3.530 323 HA GLU 565 HA GLU 565 6.261 0.066 -1.315 324 HB2 GLU 565 1HB GLU 565 7.709 0.439 -3.918 325 HB3 GLU 565 2HB GLU 565 8.032 1.185 -2.360 326 HG2 GLU 565 1HG GLU 565 8.610 -1.193 -1.577 327 HG3 GLU 565 2HG GLU 565 8.696 -1.576 -3.295 328 H GLY 566 H GLY 566 4.641 1.468 -1.340 329 HA2 GLY 566 1HA GLY 566 3.939 2.967 -3.647 330 HA3 GLY 566 2HA GLY 566 2.735 1.724 -3.342 331 H SER 567 H SER 567 1.231 3.475 -3.024 332 HA SER 567 HA SER 567 1.570 4.888 -0.466 333 HB2 SER 567 1HB SER 567 -0.630 5.701 -2.267 334 HB3 SER 567 2HB SER 567 0.501 6.692 -1.346 335 HG SER 567 HG SER 567 0.600 6.443 -3.844 336 H ALA 568 H ALA 568 0.169 4.579 1.173 337 HA ALA 568 HA ALA 568 -2.420 3.373 0.749 338 HB1 ALA 568 1HB ALA 568 -2.090 1.307 1.613 339 HB2 ALA 568 2HB ALA 568 -0.463 1.569 0.982 340 HB3 ALA 568 3HB ALA 568 -0.801 1.842 2.692 341 H ARG 569 H ARG 569 -3.837 3.980 2.291 342 HA ARG 569 HA ARG 569 -4.697 5.014 4.126 343 HB2 ARG 569 1HB ARG 569 -3.069 3.229 5.174 344 HB3 ARG 569 2HB ARG 569 -2.135 4.650 5.624 345 HG2 ARG 569 1HG ARG 569 -4.990 4.820 6.260 346 HG3 ARG 569 2HG ARG 569 -4.111 3.554 7.121 347 HD2 ARG 569 1HD ARG 569 -2.372 5.415 7.580 348 HD3 ARG 569 2HD ARG 569 -3.681 6.517 7.155 349 HE ARG 569 HE ARG 569 -4.385 4.550 9.139 350 HH11 ARG 569 1HH1 ARG 569 -3.049 7.712 8.563 351 HH12 ARG 569 2HH1 ARG 569 -3.425 8.303 10.147 352 HH21 ARG 569 1HH2 ARG 569 -4.886 5.316 11.228 353 HH22 ARG 569 2HH2 ARG 569 -4.469 6.938 11.663 354 H GLY 570 H GLY 570 -3.657 6.676 2.213 355 HA2 GLY 570 1HA GLY 570 -3.052 8.868 1.893 356 HA3 GLY 570 2HA GLY 570 -3.348 9.095 3.610 357 H HIS 571 H HIS 571 -1.045 6.695 2.848 358 HA HIS 571 HA HIS 571 1.163 8.591 3.284 359 HB2 HIS 571 1HB HIS 571 0.746 5.912 4.618 360 HB3 HIS 571 2HB HIS 571 2.268 6.796 4.661 361 HD1 HIS 571 1HD HIS 571 -0.371 6.166 6.799 362 HD2 HIS 571 2HD HIS 571 1.476 9.689 5.600 363 HE1 HIS 571 1HE HIS 571 -0.910 7.850 8.588 364 H ILE 572 H ILE 572 3.341 7.310 2.913 365 HA ILE 572 HA ILE 572 3.089 5.482 0.641 366 HB ILE 572 HB ILE 572 4.883 7.906 0.545 367 HG12 ILE 572 1HG1 ILE 572 3.184 8.345 -1.466 368 HG13 ILE 572 2HG1 ILE 572 2.100 7.441 -0.414 369 HG21 ILE 572 1HG2 ILE 572 4.437 6.824 -2.004 370 HG22 ILE 572 2HG2 ILE 572 5.927 6.788 -1.063 371 HG23 ILE 572 3HG2 ILE 572 4.776 5.457 -0.943 372 HD11 ILE 572 1HD1 ILE 572 3.281 9.277 1.276 373 HD12 ILE 572 2HD1 ILE 572 3.020 10.173 -0.221 374 HD13 ILE 572 3HD1 ILE 572 1.666 9.374 0.577 375 H GLY 573 H GLY 573 4.497 3.846 0.744 376 HA2 GLY 573 1HA GLY 573 7.160 3.934 1.480 377 HA3 GLY 573 2HA GLY 573 6.271 3.613 2.962 378 H TRP 574 H TRP 574 7.061 1.548 3.250 379 HA TRP 574 HA TRP 574 6.626 -0.406 1.121 380 HB2 TRP 574 1HB TRP 574 8.336 -0.260 3.536 381 HB3 TRP 574 2HB TRP 574 7.729 -1.858 3.113 382 HD1 TRP 574 HD TRP 574 8.560 -2.907 0.773 383 HE1 TRP 574 1HE TRP 574 10.634 -2.410 -0.669 384 HE3 TRP 574 3HE TRP 574 9.895 1.595 2.797 385 HZ2 TRP 574 2HZ TRP 574 12.577 -0.378 -0.916 386 HZ3 TRP 574 3HZ TRP 574 11.874 2.749 1.901 387 HH2 TRP 574 HH TRP 574 13.186 1.782 0.084 388 H PHE 575 H PHE 575 5.548 -2.423 1.556 389 HA PHE 575 HA PHE 575 4.034 -2.856 3.915 390 HB2 PHE 575 1HB PHE 575 1.791 -2.493 3.048 391 HB3 PHE 575 2HB PHE 575 2.710 -0.995 2.956 392 HD1 PHE 575 1HD PHE 575 3.106 0.074 0.892 393 HD2 PHE 575 2HD PHE 575 1.408 -3.828 0.982 394 HE1 PHE 575 1HE PHE 575 2.576 0.253 -1.504 395 HE2 PHE 575 2HE PHE 575 0.877 -3.656 -1.414 396 HZ PHE 575 HZ PHE 575 1.461 -1.614 -2.660 397 HA PRO 576 HA PRO 576 3.989 -6.925 2.266 398 HB2 PRO 576 1HB PRO 576 1.823 -7.967 3.528 399 HB3 PRO 576 2HB PRO 576 3.347 -7.630 4.356 400 HG2 PRO 576 1HG PRO 576 0.835 -6.004 4.277 401 HG3 PRO 576 2HG PRO 576 1.891 -6.364 5.655 402 HD2 PRO 576 1HD PRO 576 1.981 -4.007 4.327 403 HD3 PRO 576 2HD PRO 576 3.417 -4.739 5.071 404 H ALA 577 H ALA 577 3.282 -7.852 0.440 405 HA ALA 577 HA ALA 577 1.223 -6.651 -1.105 406 HB1 ALA 577 1HB ALA 577 3.252 -7.796 -2.021 407 HB2 ALA 577 2HB ALA 577 2.504 -9.334 -1.590 408 HB3 ALA 577 3HB ALA 577 1.730 -8.278 -2.772 409 H GLU 578 H GLU 578 1.336 -9.353 1.090 410 HA GLU 578 HA GLU 578 -1.008 -10.679 0.254 411 HB2 GLU 578 1HB GLU 578 -0.992 -11.623 2.592 412 HB3 GLU 578 2HB GLU 578 0.493 -11.853 1.680 413 HG2 GLU 578 1HG GLU 578 1.679 -10.362 2.965 414 HG3 GLU 578 2HG GLU 578 0.234 -9.494 3.482 415 H CYS 579 H CYS 579 -0.557 -7.691 1.784 416 HA CYS 579 HA CYS 579 -3.152 -7.680 3.095 417 HB2 CYS 579 1HB CYS 579 -0.756 -5.939 3.095 418 HB3 CYS 579 2HB CYS 579 -2.300 -5.127 3.324 419 HG CYS 579 HG CYS 579 -2.149 -7.786 5.261 420 H VAL 580 H VAL 580 -1.843 -6.936 0.057 421 HA VAL 580 HA VAL 580 -4.146 -5.223 -0.607 422 HB VAL 580 HB VAL 580 -2.761 -4.639 -2.667 423 HG11 VAL 580 1HG1 VAL 580 -3.083 -3.302 -0.469 424 HG12 VAL 580 2HG1 VAL 580 -1.402 -3.738 -0.159 425 HG13 VAL 580 3HG1 VAL 580 -1.821 -2.811 -1.599 426 HG21 VAL 580 1HG2 VAL 580 -0.330 -4.910 -2.437 427 HG22 VAL 580 2HG2 VAL 580 -0.583 -5.867 -0.977 428 HG23 VAL 580 3HG2 VAL 580 -1.160 -6.464 -2.532 429 H GLU 581 H GLU 581 -5.394 -5.678 -2.412 430 HA GLU 581 HA GLU 581 -4.874 -8.247 -3.748 431 HB2 GLU 581 1HB GLU 581 -6.640 -8.516 -2.039 432 HB3 GLU 581 2HB GLU 581 -7.574 -7.249 -2.822 433 HG2 GLU 581 1HG GLU 581 -8.154 -8.573 -4.595 434 HG3 GLU 581 2HG GLU 581 -6.733 -9.603 -4.432 435 H GLU 582 H GLU 582 -5.644 -8.434 -5.888 436 HA GLU 582 HA GLU 582 -5.640 -5.942 -7.328 437 HB2 GLU 582 1HB GLU 582 -5.662 -8.838 -8.097 438 HB3 GLU 582 2HB GLU 582 -6.041 -7.615 -9.301 439 HG2 GLU 582 1HG GLU 582 -3.827 -6.519 -8.510 440 HG3 GLU 582 2HG GLU 582 -3.477 -8.123 -7.866 441 H VAL 583 H VAL 583 -7.299 -5.007 -8.455 442 HA VAL 583 HA VAL 583 -9.881 -5.157 -7.501 443 HB VAL 583 HB VAL 583 -10.593 -3.918 -9.466 444 HG11 VAL 583 1HG1 VAL 583 -8.552 -3.164 -7.704 445 HG12 VAL 583 2HG1 VAL 583 -8.050 -2.586 -9.295 446 HG13 VAL 583 3HG1 VAL 583 -9.613 -2.105 -8.634 447 HG21 VAL 583 1HG2 VAL 583 -8.965 -3.479 -11.301 448 HG22 VAL 583 2HG2 VAL 583 -7.918 -4.717 -10.607 449 HG23 VAL 583 3HG2 VAL 583 -9.514 -5.154 -11.217 450 H GLN 584 H GLN 584 -11.649 -6.363 -7.905 451 HA GLN 584 HA GLN 584 -11.437 -8.421 -10.003 452 HB2 GLN 584 1HB GLN 584 -12.631 -8.611 -7.240 453 HB3 GLN 584 2HB GLN 584 -12.943 -9.797 -8.499 454 HG2 GLN 584 1HG GLN 584 -10.344 -9.930 -8.626 455 HG3 GLN 584 2HG GLN 584 -10.426 -9.234 -7.009 456 HE21 GLN 584 1HE2 GLN 584 -10.343 -12.901 -6.686 457 HE22 GLN 584 2HE2 GLN 584 -9.316 -11.679 -7.346 458 H SER 585 H SER 585 -12.729 -7.821 -11.618 459 HA SER 585 HA SER 585 -14.860 -6.055 -11.500 460 HB2 SER 585 1HB SER 585 -13.687 -7.793 -13.464 461 HB3 SER 585 2HB SER 585 -15.445 -7.892 -13.574 462 HG SER 585 HG SER 585 -14.346 -6.162 -14.808 Start of MODEL 17 1 H1 MET 525 H MET 525 -0.850 -7.541 -12.794 2 HA MET 525 HA MET 525 0.742 -9.912 -13.524 3 HB2 MET 525 1HB MET 525 -0.874 -8.024 -15.190 4 HB3 MET 525 2HB MET 525 0.540 -8.795 -15.895 5 HG2 MET 525 1HG MET 525 -1.064 -10.291 -16.489 6 HG3 MET 525 2HG MET 525 -0.572 -10.971 -14.940 7 HE1 MET 525 1HE MET 525 -3.448 -9.360 -17.008 8 HE2 MET 525 2HE MET 525 -3.348 -11.112 -16.835 9 HE3 MET 525 3HE MET 525 -4.710 -10.234 -16.138 10 H VAL 526 H VAL 526 0.634 -6.422 -13.261 11 HA VAL 526 HA VAL 526 3.549 -6.358 -13.244 12 HB VAL 526 HB VAL 526 3.450 -4.253 -14.709 13 HG11 VAL 526 1HG1 VAL 526 4.331 -6.574 -15.308 14 HG12 VAL 526 2HG1 VAL 526 2.814 -6.792 -16.183 15 HG13 VAL 526 3HG1 VAL 526 3.920 -5.496 -16.641 16 HG21 VAL 526 1HG2 VAL 526 1.642 -4.018 -16.233 17 HG22 VAL 526 2HG2 VAL 526 0.916 -5.538 -15.712 18 HG23 VAL 526 3HG2 VAL 526 0.936 -4.152 -14.622 19 HA PRO 527 HA PRO 527 3.001 -3.394 -10.053 20 HB2 PRO 527 1HB PRO 527 5.198 -1.832 -10.380 21 HB3 PRO 527 2HB PRO 527 5.276 -3.478 -9.740 22 HG2 PRO 527 1HG PRO 527 5.826 -2.497 -12.515 23 HG3 PRO 527 2HG PRO 527 6.728 -3.676 -11.545 24 HD2 PRO 527 1HD PRO 527 4.991 -4.411 -13.488 25 HD3 PRO 527 2HD PRO 527 5.259 -5.385 -12.029 26 H GLY 528 H GLY 528 3.287 -0.869 -9.711 27 HA2 GLY 528 1HA GLY 528 2.541 1.244 -10.217 28 HA3 GLY 528 2HA GLY 528 2.860 0.862 -11.903 29 H ARG 529 H ARG 529 0.752 -1.312 -10.347 30 HA ARG 529 HA ARG 529 -1.494 -0.202 -11.857 31 HB2 ARG 529 1HB ARG 529 -0.955 -2.902 -10.640 32 HB3 ARG 529 2HB ARG 529 -2.556 -2.446 -11.205 33 HG2 ARG 529 1HG ARG 529 -0.088 -2.411 -12.926 34 HG3 ARG 529 2HG ARG 529 -1.222 -3.760 -12.838 35 HD2 ARG 529 1HD ARG 529 -3.012 -1.992 -13.414 36 HD3 ARG 529 2HD ARG 529 -1.647 -1.000 -13.926 37 HE ARG 529 HE ARG 529 -1.433 -3.526 -15.125 38 HH11 ARG 529 1HH1 ARG 529 -3.429 -0.675 -15.235 39 HH12 ARG 529 2HH1 ARG 529 -3.870 -0.889 -16.896 40 HH21 ARG 529 1HH2 ARG 529 -2.007 -3.818 -17.314 41 HH22 ARG 529 2HH2 ARG 529 -3.061 -2.677 -18.078 42 H LEU 530 H LEU 530 -3.684 -0.997 -10.604 43 HA LEU 530 HA LEU 530 -3.614 0.523 -8.100 44 HB2 LEU 530 1HB LEU 530 -6.130 -0.377 -9.431 45 HB3 LEU 530 2HB LEU 530 -5.843 1.042 -8.425 46 HG LEU 530 HG LEU 530 -5.091 0.646 -11.316 47 HD11 LEU 530 1HD1 LEU 530 -7.188 1.446 -11.485 48 HD12 LEU 530 2HD1 LEU 530 -6.409 2.992 -11.145 49 HD13 LEU 530 3HD1 LEU 530 -7.190 2.093 -9.843 50 HD21 LEU 530 1HD2 LEU 530 -4.289 3.073 -11.047 51 HD22 LEU 530 2HD2 LEU 530 -3.231 1.778 -10.485 52 HD23 LEU 530 3HD2 LEU 530 -4.189 2.700 -9.326 53 H PHE 531 H PHE 531 -3.899 -0.421 -6.185 54 HA PHE 531 HA PHE 531 -5.034 -3.136 -6.113 55 HB2 PHE 531 1HB PHE 531 -2.553 -2.095 -4.760 56 HB3 PHE 531 2HB PHE 531 -3.412 -3.506 -4.151 57 HD1 PHE 531 1HD PHE 531 -3.022 -5.613 -5.059 58 HD2 PHE 531 2HD PHE 531 -1.741 -2.147 -7.172 59 HE1 PHE 531 1HE PHE 531 -1.814 -7.039 -6.658 60 HE2 PHE 531 2HE PHE 531 -0.531 -3.568 -8.775 61 HZ PHE 531 HZ PHE 531 -0.567 -6.017 -8.520 62 H VAL 532 H VAL 532 -5.982 -3.746 -4.055 63 HA VAL 532 HA VAL 532 -6.804 -1.439 -2.417 64 HB VAL 532 HB VAL 532 -8.694 -1.964 -3.796 65 HG11 VAL 532 1HG1 VAL 532 -9.661 -4.152 -3.988 66 HG12 VAL 532 2HG1 VAL 532 -7.947 -4.261 -4.395 67 HG13 VAL 532 3HG1 VAL 532 -8.516 -4.811 -2.818 68 HG21 VAL 532 1HG2 VAL 532 -9.438 -3.365 -1.273 69 HG22 VAL 532 2HG2 VAL 532 -8.870 -1.698 -1.186 70 HG23 VAL 532 3HG2 VAL 532 -10.291 -2.097 -2.151 71 H ALA 533 H ALA 533 -6.274 -1.685 -0.357 72 HA ALA 533 HA ALA 533 -5.159 -4.050 0.692 73 HB1 ALA 533 1HB ALA 533 -5.514 -2.820 2.923 74 HB2 ALA 533 2HB ALA 533 -4.447 -2.089 1.724 75 HB3 ALA 533 3HB ALA 533 -6.090 -1.484 1.927 76 H ILE 534 H ILE 534 -6.051 -5.789 1.603 77 HA ILE 534 HA ILE 534 -8.923 -5.688 2.256 78 HB ILE 534 HB ILE 534 -8.923 -8.156 1.855 79 HG12 ILE 534 1HG1 ILE 534 -6.374 -7.826 0.325 80 HG13 ILE 534 2HG1 ILE 534 -6.294 -8.134 2.057 81 HG21 ILE 534 1HG2 ILE 534 -9.829 -6.773 0.158 82 HG22 ILE 534 2HG2 ILE 534 -8.228 -6.290 -0.398 83 HG23 ILE 534 3HG2 ILE 534 -8.787 -7.943 -0.652 84 HD11 ILE 534 1HD1 ILE 534 -6.307 -10.069 0.228 85 HD12 ILE 534 2HD1 ILE 534 -6.989 -10.269 1.843 86 HD13 ILE 534 3HD1 ILE 534 -8.046 -9.907 0.478 87 H LYS 535 H LYS 535 -5.904 -5.851 3.597 88 HA LYS 535 HA LYS 535 -6.992 -6.975 6.075 89 HB2 LYS 535 1HB LYS 535 -4.309 -7.729 4.899 90 HB3 LYS 535 2HB LYS 535 -4.906 -8.222 6.477 91 HG2 LYS 535 1HG LYS 535 -6.478 -8.866 4.022 92 HG3 LYS 535 2HG LYS 535 -5.080 -9.847 4.467 93 HD2 LYS 535 1HD LYS 535 -7.208 -9.233 6.482 94 HD3 LYS 535 2HD LYS 535 -7.431 -10.537 5.313 95 HE2 LYS 535 1HE LYS 535 -5.424 -11.630 6.089 96 HE3 LYS 535 2HE LYS 535 -5.066 -10.281 7.166 97 HZ1 LYS 535 1HZ LYS 535 -7.559 -11.858 7.399 98 HZ2 LYS 535 2HZ LYS 535 -6.866 -10.821 8.541 99 HZ3 LYS 535 3HZ LYS 535 -6.137 -12.307 8.196 100 HA PRO 536 HA PRO 536 -5.194 -3.247 7.653 101 HB2 PRO 536 1HB PRO 536 -5.583 -3.782 10.286 102 HB3 PRO 536 2HB PRO 536 -6.889 -3.280 9.206 103 HG2 PRO 536 1HG PRO 536 -6.155 -6.028 10.140 104 HG3 PRO 536 2HG PRO 536 -7.760 -5.290 9.986 105 HD2 PRO 536 1HD PRO 536 -6.761 -7.002 8.142 106 HD3 PRO 536 2HD PRO 536 -7.857 -5.672 7.716 107 H TYR 537 H TYR 537 -3.211 -2.622 8.346 108 HA TYR 537 HA TYR 537 -1.526 -4.429 9.863 109 HB2 TYR 537 1HB TYR 537 -1.304 -4.830 7.274 110 HB3 TYR 537 2HB TYR 537 -0.332 -3.364 7.334 111 HD1 TYR 537 1HD TYR 537 1.779 -3.328 8.609 112 HD2 TYR 537 2HD TYR 537 -0.489 -6.901 8.167 113 HE1 TYR 537 1HE TYR 537 3.731 -4.648 9.313 114 HE2 TYR 537 2HE TYR 537 1.457 -8.230 8.872 115 HH TYR 537 HH TYR 537 3.686 -8.172 9.250 116 H GLN 538 H GLN 538 0.361 -3.405 10.725 117 HA GLN 538 HA GLN 538 0.243 -0.462 10.632 118 HB2 GLN 538 1HB GLN 538 0.322 -2.335 12.912 119 HB3 GLN 538 2HB GLN 538 1.399 -0.951 13.039 120 HG2 GLN 538 1HG GLN 538 -0.928 -0.727 14.035 121 HG3 GLN 538 2HG GLN 538 -0.359 0.576 12.994 122 HE21 GLN 538 1HE2 GLN 538 -3.174 0.399 11.027 123 HE22 GLN 538 2HE2 GLN 538 -1.934 1.329 11.790 124 HA PRO 539 HA PRO 539 4.491 -0.360 9.546 125 HB2 PRO 539 1HB PRO 539 5.367 1.826 10.899 126 HB3 PRO 539 2HB PRO 539 4.313 1.931 9.483 127 HG2 PRO 539 1HG PRO 539 3.605 2.085 12.388 128 HG3 PRO 539 2HG PRO 539 3.017 3.076 11.039 129 HD2 PRO 539 1HD PRO 539 1.582 1.028 12.078 130 HD3 PRO 539 2HD PRO 539 1.502 1.477 10.361 131 H GLN 540 H GLN 540 6.000 -1.739 10.216 132 HA GLN 540 HA GLN 540 6.806 -1.679 13.048 133 HB2 GLN 540 1HB GLN 540 5.885 -3.942 11.407 134 HB3 GLN 540 2HB GLN 540 7.363 -4.248 12.309 135 HG2 GLN 540 1HG GLN 540 5.801 -4.928 13.822 136 HG3 GLN 540 2HG GLN 540 5.995 -3.242 14.298 137 HE21 GLN 540 1HE2 GLN 540 2.512 -4.581 12.686 138 HE22 GLN 540 2HE2 GLN 540 3.949 -5.539 12.652 139 H VAL 541 H VAL 541 7.764 -0.933 10.072 140 HA VAL 541 HA VAL 541 10.580 -1.343 10.728 141 HB VAL 541 HB VAL 541 9.542 -2.014 7.977 142 HG11 VAL 541 1HG1 VAL 541 11.880 -3.215 8.064 143 HG12 VAL 541 2HG1 VAL 541 11.756 -1.497 7.681 144 HG13 VAL 541 3HG1 VAL 541 12.207 -2.010 9.308 145 HG21 VAL 541 1HG2 VAL 541 10.095 -4.390 8.642 146 HG22 VAL 541 2HG2 VAL 541 10.129 -3.821 10.311 147 HG23 VAL 541 3HG2 VAL 541 8.643 -3.703 9.368 148 H ASP 542 H ASP 542 12.012 0.084 9.620 149 HA ASP 542 HA ASP 542 11.078 2.696 9.335 150 HB2 ASP 542 1HB ASP 542 13.619 1.304 8.574 151 HB3 ASP 542 2HB ASP 542 13.349 2.963 8.048 152 H GLY 543 H GLY 543 9.679 3.381 7.850 153 HA2 GLY 543 1HA GLY 543 9.444 4.137 5.555 154 HA3 GLY 543 2HA GLY 543 10.183 2.627 5.042 155 H GLU 544 H GLU 544 8.641 0.966 6.846 156 HA GLU 544 HA GLU 544 6.532 0.243 5.228 157 HB2 GLU 544 1HB GLU 544 7.295 -0.293 8.038 158 HB3 GLU 544 2HB GLU 544 5.617 -0.613 7.622 159 HG2 GLU 544 1HG GLU 544 6.524 -1.967 5.670 160 HG3 GLU 544 2HG GLU 544 8.089 -1.860 6.475 161 H ILE 545 H ILE 545 4.216 0.390 5.552 162 HA ILE 545 HA ILE 545 3.333 2.765 7.034 163 HB ILE 545 HB ILE 545 1.697 3.060 4.995 164 HG12 ILE 545 1HG1 ILE 545 4.141 1.856 3.675 165 HG13 ILE 545 2HG1 ILE 545 2.571 1.069 3.795 166 HG21 ILE 545 1HG2 ILE 545 4.539 3.997 4.692 167 HG22 ILE 545 2HG2 ILE 545 3.059 4.819 4.200 168 HG23 ILE 545 3HG2 ILE 545 3.442 4.644 5.913 169 HD11 ILE 545 1HD1 ILE 545 1.742 2.216 2.073 170 HD12 ILE 545 2HD1 ILE 545 2.464 3.732 2.611 171 HD13 ILE 545 3HD1 ILE 545 3.428 2.573 1.697 172 HA PRO 546 HA PRO 546 -0.062 0.328 8.370 173 HB2 PRO 546 1HB PRO 546 -2.065 2.156 8.473 174 HB3 PRO 546 2HB PRO 546 -0.728 2.130 9.629 175 HG2 PRO 546 1HG PRO 546 -1.105 3.848 7.207 176 HG3 PRO 546 2HG PRO 546 -0.522 4.300 8.819 177 HD2 PRO 546 1HD PRO 546 1.149 3.882 6.729 178 HD3 PRO 546 2HD PRO 546 1.607 3.518 8.406 179 H LEU 547 H LEU 547 -2.322 -0.331 7.835 180 HA LEU 547 HA LEU 547 -3.176 0.190 5.105 181 HB2 LEU 547 1HB LEU 547 -2.310 -2.504 6.110 182 HB3 LEU 547 2HB LEU 547 -3.422 -2.325 4.754 183 HG LEU 547 HG LEU 547 -0.703 -1.047 4.742 184 HD11 LEU 547 1HD1 LEU 547 0.290 -3.017 4.555 185 HD12 LEU 547 2HD1 LEU 547 -0.704 -3.373 3.143 186 HD13 LEU 547 3HD1 LEU 547 -1.257 -3.842 4.750 187 HD21 LEU 547 1HD2 LEU 547 -1.167 -0.495 2.622 188 HD22 LEU 547 2HD2 LEU 547 -2.847 -0.770 3.081 189 HD23 LEU 547 3HD2 LEU 547 -1.931 -2.047 2.281 190 H HIS 548 H HIS 548 -5.344 -0.465 4.680 191 HA HIS 548 HA HIS 548 -6.903 -1.473 6.928 192 HB2 HIS 548 1HB HIS 548 -6.738 1.204 6.678 193 HB3 HIS 548 2HB HIS 548 -8.077 0.893 5.577 194 HD1 HIS 548 1HD HIS 548 -7.107 0.238 9.187 195 HD2 HIS 548 2HD HIS 548 -10.488 0.594 6.800 196 HE1 HIS 548 1HE HIS 548 -9.058 0.169 10.772 197 H ARG 549 H ARG 549 -8.919 -2.353 6.340 198 HA ARG 549 HA ARG 549 -8.991 -3.487 3.734 199 HB2 ARG 549 1HB ARG 549 -11.218 -3.435 5.776 200 HB3 ARG 549 2HB ARG 549 -11.026 -4.570 4.446 201 HG2 ARG 549 1HG ARG 549 -8.999 -5.452 5.493 202 HG3 ARG 549 2HG ARG 549 -9.206 -4.321 6.831 203 HD2 ARG 549 1HD ARG 549 -10.101 -6.351 7.601 204 HD3 ARG 549 2HD ARG 549 -11.498 -5.371 7.157 205 HE ARG 549 HE ARG 549 -10.529 -7.754 5.794 206 HH11 ARG 549 1HH1 ARG 549 -12.728 -5.056 5.853 207 HH12 ARG 549 2HH1 ARG 549 -13.826 -5.759 4.712 208 HH21 ARG 549 1HH2 ARG 549 -11.967 -8.691 4.291 209 HH22 ARG 549 2HH2 ARG 549 -13.393 -7.827 3.825 210 H GLY 550 H GLY 550 -9.607 -2.472 1.948 211 HA2 GLY 550 1HA GLY 550 -11.405 -1.525 0.656 212 HA3 GLY 550 2HA GLY 550 -11.929 -0.665 2.096 213 H ASP 551 H ASP 551 -8.624 -0.506 1.968 214 HA ASP 551 HA ASP 551 -8.726 2.250 1.053 215 HB2 ASP 551 1HB ASP 551 -7.030 0.685 2.815 216 HB3 ASP 551 2HB ASP 551 -6.075 1.627 1.672 217 H ARG 552 H ARG 552 -7.987 2.976 -0.847 218 HA ARG 552 HA ARG 552 -7.116 1.048 -2.815 219 HB2 ARG 552 1HB ARG 552 -8.276 3.712 -2.823 220 HB3 ARG 552 2HB ARG 552 -6.938 3.581 -3.957 221 HG2 ARG 552 1HG ARG 552 -9.018 3.081 -5.067 222 HG3 ARG 552 2HG ARG 552 -8.020 1.629 -4.982 223 HD2 ARG 552 1HD ARG 552 -9.513 0.544 -3.714 224 HD3 ARG 552 2HD ARG 552 -9.795 1.951 -2.690 225 HE ARG 552 HE ARG 552 -11.412 1.070 -4.853 226 HH11 ARG 552 1HH1 ARG 552 -10.272 3.929 -3.227 227 HH12 ARG 552 2HH1 ARG 552 -11.640 4.891 -3.682 228 HH21 ARG 552 1HH2 ARG 552 -13.218 2.326 -5.458 229 HH22 ARG 552 2HH2 ARG 552 -13.315 3.978 -4.950 230 H VAL 553 H VAL 553 -5.049 0.407 -2.468 231 HA VAL 553 HA VAL 553 -2.982 2.368 -1.884 232 HB VAL 553 HB VAL 553 -2.813 -0.632 -2.200 233 HG11 VAL 553 1HG1 VAL 553 -0.764 1.415 -2.081 234 HG12 VAL 553 2HG1 VAL 553 -0.608 0.241 -0.772 235 HG13 VAL 553 3HG1 VAL 553 -0.623 -0.303 -2.450 236 HG21 VAL 553 1HG2 VAL 553 -3.841 -0.499 -0.192 237 HG22 VAL 553 2HG2 VAL 553 -2.209 -0.143 0.376 238 HG23 VAL 553 3HG2 VAL 553 -3.344 1.172 0.074 239 H LYS 554 H LYS 554 -1.485 3.094 -3.287 240 HA LYS 554 HA LYS 554 -1.700 2.169 -6.069 241 HB2 LYS 554 1HB LYS 554 -2.160 4.568 -5.639 242 HB3 LYS 554 2HB LYS 554 -0.529 4.747 -5.003 243 HG2 LYS 554 1HG LYS 554 0.450 4.486 -7.093 244 HG3 LYS 554 2HG LYS 554 -0.986 3.719 -7.777 245 HD2 LYS 554 1HD LYS 554 -0.757 5.983 -8.625 246 HD3 LYS 554 2HD LYS 554 -2.191 5.858 -7.601 247 HE2 LYS 554 1HE LYS 554 -0.892 7.915 -7.186 248 HE3 LYS 554 2HE LYS 554 -1.014 6.886 -5.760 249 HZ1 LYS 554 1HZ LYS 554 1.200 6.150 -6.052 250 HZ2 LYS 554 2HZ LYS 554 1.239 7.834 -6.203 251 HZ3 LYS 554 3HZ LYS 554 1.325 6.860 -7.582 252 H VAL 555 H VAL 555 -0.213 0.689 -6.547 253 HA VAL 555 HA VAL 555 2.275 0.463 -5.165 254 HB VAL 555 HB VAL 555 1.353 -0.877 -7.711 255 HG11 VAL 555 1HG1 VAL 555 3.127 -2.500 -7.279 256 HG12 VAL 555 2HG1 VAL 555 3.788 -0.879 -7.503 257 HG13 VAL 555 3HG1 VAL 555 3.652 -1.561 -5.882 258 HG21 VAL 555 1HG2 VAL 555 0.977 -2.823 -6.191 259 HG22 VAL 555 2HG2 VAL 555 1.261 -1.744 -4.824 260 HG23 VAL 555 3HG2 VAL 555 -0.105 -1.460 -5.903 261 H LEU 556 H LEU 556 4.343 0.917 -5.874 262 HA LEU 556 HA LEU 556 4.559 2.526 -8.331 263 HB2 LEU 556 1HB LEU 556 6.140 3.012 -5.818 264 HB3 LEU 556 2HB LEU 556 6.088 4.014 -7.266 265 HG LEU 556 HG LEU 556 3.659 3.585 -5.551 266 HD11 LEU 556 1HD1 LEU 556 4.259 5.166 -4.063 267 HD12 LEU 556 2HD1 LEU 556 5.190 6.084 -5.247 268 HD13 LEU 556 3HD1 LEU 556 5.890 4.650 -4.496 269 HD21 LEU 556 1HD2 LEU 556 2.670 5.123 -6.854 270 HD22 LEU 556 2HD2 LEU 556 3.922 4.685 -8.016 271 HD23 LEU 556 3HD2 LEU 556 4.131 6.102 -6.985 272 H SER 557 H SER 557 6.274 0.508 -5.979 273 HA SER 557 HA SER 557 7.819 -0.672 -8.136 274 HB2 SER 557 1HB SER 557 9.325 1.090 -7.596 275 HB3 SER 557 2HB SER 557 9.078 0.870 -5.865 276 HG SER 557 HG SER 557 11.064 -0.046 -6.887 277 H ILE 558 H ILE 558 8.691 -2.700 -7.626 278 HA ILE 558 HA ILE 558 7.243 -4.189 -5.705 279 HB ILE 558 HB ILE 558 9.772 -4.993 -7.145 280 HG12 ILE 558 1HG1 ILE 558 7.924 -4.264 -8.656 281 HG13 ILE 558 2HG1 ILE 558 8.344 -5.963 -8.837 282 HG21 ILE 558 1HG2 ILE 558 8.387 -7.271 -6.808 283 HG22 ILE 558 2HG2 ILE 558 9.598 -6.690 -5.667 284 HG23 ILE 558 3HG2 ILE 558 7.887 -6.395 -5.362 285 HD11 ILE 558 1HD1 ILE 558 5.821 -4.916 -8.466 286 HD12 ILE 558 2HD1 ILE 558 6.291 -6.610 -8.310 287 HD13 ILE 558 3HD1 ILE 558 6.247 -5.571 -6.886 288 H GLY 559 H GLY 559 7.901 -5.146 -3.777 289 HA2 GLY 559 1HA GLY 559 10.057 -3.711 -2.415 290 HA3 GLY 559 2HA GLY 559 8.804 -4.672 -1.645 291 H GLU 560 H GLU 560 10.199 -5.898 -0.406 292 HA GLU 560 HA GLU 560 11.751 -7.884 -1.915 293 HB2 GLU 560 1HB GLU 560 13.146 -6.005 -0.812 294 HB3 GLU 560 2HB GLU 560 12.742 -6.794 0.706 295 HG2 GLU 560 1HG GLU 560 14.042 -8.233 -1.587 296 HG3 GLU 560 2HG GLU 560 14.953 -7.418 -0.318 297 H GLY 561 H GLY 561 11.132 -9.881 -1.437 298 HA2 GLY 561 1HA GLY 561 10.455 -11.707 -0.199 299 HA3 GLY 561 2HA GLY 561 10.627 -10.730 1.252 300 H GLY 562 H GLY 562 8.532 -10.674 -1.642 301 HA2 GLY 562 1HA GLY 562 6.237 -10.686 -1.819 302 HA3 GLY 562 2HA GLY 562 6.173 -11.234 -0.150 303 H PHE 563 H PHE 563 7.947 -8.364 -0.650 304 HA PHE 563 HA PHE 563 5.824 -6.836 0.653 305 HB2 PHE 563 1HB PHE 563 8.736 -6.779 0.672 306 HB3 PHE 563 2HB PHE 563 8.043 -5.178 0.430 307 HD1 PHE 563 1HD PHE 563 6.323 -4.356 2.097 308 HD2 PHE 563 2HD PHE 563 8.792 -7.753 2.789 309 HE1 PHE 563 1HE PHE 563 5.885 -4.179 4.513 310 HE2 PHE 563 2HE PHE 563 8.357 -7.582 5.205 311 HZ PHE 563 HZ PHE 563 6.901 -5.794 6.069 312 H TRP 564 H TRP 564 5.864 -4.401 -0.019 313 HA TRP 564 HA TRP 564 6.240 -4.007 -2.872 314 HB2 TRP 564 1HB TRP 564 3.714 -4.755 -1.857 315 HB3 TRP 564 2HB TRP 564 3.611 -3.034 -2.224 316 HD1 TRP 564 HD TRP 564 5.560 -3.137 -4.818 317 HE1 TRP 564 1HE TRP 564 4.628 -4.139 -6.998 318 HE3 TRP 564 3HE TRP 564 1.727 -5.901 -2.868 319 HZ2 TRP 564 2HZ TRP 564 2.543 -5.871 -7.787 320 HZ3 TRP 564 3HZ TRP 564 0.311 -7.202 -4.403 321 HH2 TRP 564 HH TRP 564 0.712 -7.185 -6.811 322 H GLU 565 H GLU 565 6.033 -1.770 -3.518 323 HA GLU 565 HA GLU 565 6.213 0.109 -1.256 324 HB2 GLU 565 1HB GLU 565 8.329 -0.572 -2.808 325 HB3 GLU 565 2HB GLU 565 7.695 0.791 -3.719 326 HG2 GLU 565 1HG GLU 565 7.808 2.168 -1.678 327 HG3 GLU 565 2HG GLU 565 8.532 0.804 -0.829 328 H GLY 566 H GLY 566 4.547 1.459 -1.299 329 HA2 GLY 566 1HA GLY 566 3.927 2.962 -3.670 330 HA3 GLY 566 2HA GLY 566 2.673 1.802 -3.254 331 H SER 567 H SER 567 1.172 3.455 -2.859 332 HA SER 567 HA SER 567 1.661 4.948 -0.364 333 HB2 SER 567 1HB SER 567 -0.365 6.250 -1.881 334 HB3 SER 567 2HB SER 567 1.235 6.856 -1.456 335 HG SER 567 HG SER 567 1.851 6.525 -3.433 336 H ALA 568 H ALA 568 0.179 4.758 1.211 337 HA ALA 568 HA ALA 568 -2.521 3.881 0.642 338 HB1 ALA 568 1HB ALA 568 -1.033 1.807 0.811 339 HB2 ALA 568 2HB ALA 568 -0.926 2.182 2.532 340 HB3 ALA 568 3HB ALA 568 -2.494 1.849 1.797 341 H ARG 569 H ARG 569 -3.964 4.435 2.234 342 HA ARG 569 HA ARG 569 -4.796 5.528 4.046 343 HB2 ARG 569 1HB ARG 569 -3.336 3.740 5.182 344 HB3 ARG 569 2HB ARG 569 -2.181 5.038 5.451 345 HG2 ARG 569 1HG ARG 569 -3.478 6.060 7.014 346 HG3 ARG 569 2HG ARG 569 -4.986 5.498 6.291 347 HD2 ARG 569 1HD ARG 569 -3.998 3.143 7.042 348 HD3 ARG 569 2HD ARG 569 -3.186 4.160 8.232 349 HE ARG 569 HE ARG 569 -5.757 4.967 8.399 350 HH11 ARG 569 1HH1 ARG 569 -4.234 1.838 8.506 351 HH12 ARG 569 2HH1 ARG 569 -5.432 1.146 9.550 352 HH21 ARG 569 1HH2 ARG 569 -7.339 4.067 9.773 353 HH22 ARG 569 2HH2 ARG 569 -7.198 2.415 10.269 354 H GLY 570 H GLY 570 -3.481 7.034 2.027 355 HA2 GLY 570 1HA GLY 570 -2.898 9.228 1.662 356 HA3 GLY 570 2HA GLY 570 -3.240 9.527 3.360 357 H HIS 571 H HIS 571 -0.963 7.056 2.711 358 HA HIS 571 HA HIS 571 1.272 8.916 3.163 359 HB2 HIS 571 1HB HIS 571 0.312 6.870 4.940 360 HB3 HIS 571 2HB HIS 571 1.939 6.465 4.399 361 HD1 HIS 571 1HD HIS 571 0.119 9.455 5.893 362 HD2 HIS 571 2HD HIS 571 3.880 7.689 5.834 363 HE1 HIS 571 1HE HIS 571 1.519 10.800 7.491 364 H ILE 572 H ILE 572 3.432 7.665 2.841 365 HA ILE 572 HA ILE 572 3.183 5.785 0.596 366 HB ILE 572 HB ILE 572 5.095 8.122 0.654 367 HG12 ILE 572 1HG1 ILE 572 3.379 8.161 -1.610 368 HG13 ILE 572 2HG1 ILE 572 2.365 7.950 -0.187 369 HG21 ILE 572 1HG2 ILE 572 5.218 7.262 -1.856 370 HG22 ILE 572 2HG2 ILE 572 6.258 6.615 -0.589 371 HG23 ILE 572 3HG2 ILE 572 4.810 5.733 -1.078 372 HD11 ILE 572 1HD1 ILE 572 4.295 10.181 -0.751 373 HD12 ILE 572 2HD1 ILE 572 2.539 10.273 -0.602 374 HD13 ILE 572 3HD1 ILE 572 3.528 9.925 0.816 375 H GLY 573 H GLY 573 4.428 4.035 0.805 376 HA2 GLY 573 1HA GLY 573 7.055 3.969 1.747 377 HA3 GLY 573 2HA GLY 573 6.005 3.610 3.110 378 H TRP 574 H TRP 574 6.894 1.508 3.250 379 HA TRP 574 HA TRP 574 6.339 -0.293 1.009 380 HB2 TRP 574 1HB TRP 574 8.213 -0.310 3.300 381 HB3 TRP 574 2HB TRP 574 7.561 -1.876 2.828 382 HD1 TRP 574 HD TRP 574 8.024 -2.601 0.192 383 HE1 TRP 574 1HE TRP 574 10.067 -2.104 -1.291 384 HE3 TRP 574 3HE TRP 574 9.996 1.317 2.817 385 HZ2 TRP 574 2HZ TRP 574 12.229 -0.291 -1.342 386 HZ3 TRP 574 3HZ TRP 574 12.056 2.377 1.983 387 HH2 TRP 574 HH TRP 574 13.147 1.588 -0.053 388 H PHE 575 H PHE 575 5.403 -2.429 1.497 389 HA PHE 575 HA PHE 575 3.971 -2.905 3.895 390 HB2 PHE 575 1HB PHE 575 1.686 -2.639 3.067 391 HB3 PHE 575 2HB PHE 575 2.544 -1.102 3.014 392 HD1 PHE 575 1HD PHE 575 2.867 0.052 0.984 393 HD2 PHE 575 2HD PHE 575 1.333 -3.919 0.961 394 HE1 PHE 575 1HE PHE 575 2.299 0.288 -1.398 395 HE2 PHE 575 2HE PHE 575 0.764 -3.689 -1.421 396 HZ PHE 575 HZ PHE 575 1.248 -1.584 -2.605 397 HA PRO 576 HA PRO 576 3.992 -6.975 2.250 398 HB2 PRO 576 1HB PRO 576 1.879 -8.075 3.553 399 HB3 PRO 576 2HB PRO 576 3.409 -7.696 4.352 400 HG2 PRO 576 1HG PRO 576 0.852 -6.140 4.320 401 HG3 PRO 576 2HG PRO 576 1.944 -6.470 5.678 402 HD2 PRO 576 1HD PRO 576 1.944 -4.111 4.349 403 HD3 PRO 576 2HD PRO 576 3.414 -4.803 5.065 404 H ALA 577 H ALA 577 3.335 -7.790 0.366 405 HA ALA 577 HA ALA 577 1.206 -6.688 -1.117 406 HB1 ALA 577 1HB ALA 577 1.642 -8.532 -2.708 407 HB2 ALA 577 2HB ALA 577 3.103 -7.665 -2.233 408 HB3 ALA 577 3HB ALA 577 2.747 -9.245 -1.534 409 H GLU 578 H GLU 578 1.397 -9.381 1.080 410 HA GLU 578 HA GLU 578 -0.931 -10.755 0.273 411 HB2 GLU 578 1HB GLU 578 -0.865 -11.707 2.601 412 HB3 GLU 578 2HB GLU 578 0.620 -11.893 1.680 413 HG2 GLU 578 1HG GLU 578 1.763 -10.342 2.951 414 HG3 GLU 578 2HG GLU 578 0.286 -9.567 3.519 415 H CYS 579 H CYS 579 -0.524 -7.753 1.774 416 HA CYS 579 HA CYS 579 -3.109 -7.796 3.114 417 HB2 CYS 579 1HB CYS 579 -0.731 -6.035 3.137 418 HB3 CYS 579 2HB CYS 579 -2.281 -5.232 3.363 419 HG CYS 579 HG CYS 579 -0.535 -7.102 5.484 420 H VAL 580 H VAL 580 -1.821 -7.012 0.079 421 HA VAL 580 HA VAL 580 -4.157 -5.333 -0.562 422 HB VAL 580 HB VAL 580 -2.774 -4.668 -2.600 423 HG11 VAL 580 1HG1 VAL 580 -1.876 -2.839 -1.484 424 HG12 VAL 580 2HG1 VAL 580 -3.158 -3.373 -0.397 425 HG13 VAL 580 3HG1 VAL 580 -1.478 -3.784 -0.049 426 HG21 VAL 580 1HG2 VAL 580 -1.141 -6.550 -2.300 427 HG22 VAL 580 2HG2 VAL 580 -0.412 -4.961 -2.536 428 HG23 VAL 580 3HG2 VAL 580 -0.481 -5.669 -0.921 429 H GLU 581 H GLU 581 -5.338 -5.754 -2.440 430 HA GLU 581 HA GLU 581 -4.737 -8.276 -3.822 431 HB2 GLU 581 1HB GLU 581 -6.503 -8.604 -2.076 432 HB3 GLU 581 2HB GLU 581 -7.504 -7.444 -2.938 433 HG2 GLU 581 1HG GLU 581 -8.167 -9.697 -3.486 434 HG3 GLU 581 2HG GLU 581 -7.492 -8.898 -4.904 435 H GLU 582 H GLU 582 -5.455 -8.415 -5.971 436 HA GLU 582 HA GLU 582 -5.586 -5.886 -7.327 437 HB2 GLU 582 1HB GLU 582 -5.467 -8.753 -8.179 438 HB3 GLU 582 2HB GLU 582 -5.935 -7.526 -9.348 439 HG2 GLU 582 1HG GLU 582 -3.767 -6.329 -8.517 440 HG3 GLU 582 2HG GLU 582 -3.321 -7.951 -7.991 441 H VAL 583 H VAL 583 -7.311 -4.892 -8.207 442 HA VAL 583 HA VAL 583 -9.883 -5.339 -7.319 443 HB VAL 583 HB VAL 583 -10.659 -3.841 -9.050 444 HG11 VAL 583 1HG1 VAL 583 -9.755 -2.160 -7.918 445 HG12 VAL 583 2HG1 VAL 583 -8.562 -3.278 -7.252 446 HG13 VAL 583 3HG1 VAL 583 -8.214 -2.398 -8.741 447 HG21 VAL 583 1HG2 VAL 583 -9.029 -3.046 -10.796 448 HG22 VAL 583 2HG2 VAL 583 -7.998 -4.404 -10.343 449 HG23 VAL 583 3HG2 VAL 583 -9.608 -4.700 -11.001 450 H GLN 584 H GLN 584 -11.634 -6.473 -8.014 451 HA GLN 584 HA GLN 584 -11.257 -8.210 -10.364 452 HB2 GLN 584 1HB GLN 584 -12.842 -8.983 -7.918 453 HB3 GLN 584 2HB GLN 584 -12.339 -10.014 -9.250 454 HG2 GLN 584 1HG GLN 584 -10.797 -10.634 -7.715 455 HG3 GLN 584 2HG GLN 584 -9.935 -9.275 -8.437 456 HE21 GLN 584 1HE2 GLN 584 -9.795 -9.004 -4.746 457 HE22 GLN 584 2HE2 GLN 584 -9.342 -10.196 -5.910 458 H SER 585 H SER 585 -12.620 -7.661 -11.919 459 HA SER 585 HA SER 585 -14.939 -6.065 -11.440 460 HB2 SER 585 1HB SER 585 -13.614 -5.877 -13.518 461 HB3 SER 585 2HB SER 585 -14.092 -7.517 -13.960 462 HG SER 585 HG SER 585 -15.466 -6.088 -14.982 Start of MODEL 18 1 H1 MET 525 H MET 525 4.020 -7.469 -16.107 2 HA MET 525 HA MET 525 5.711 -9.318 -14.562 3 HB2 MET 525 1HB MET 525 6.246 -9.077 -16.981 4 HB3 MET 525 2HB MET 525 6.551 -7.366 -16.714 5 HG2 MET 525 1HG MET 525 8.672 -8.210 -16.632 6 HG3 MET 525 2HG MET 525 8.234 -8.235 -14.926 7 HE1 MET 525 1HE MET 525 8.879 -11.077 -13.609 8 HE2 MET 525 2HE MET 525 10.312 -11.047 -14.636 9 HE3 MET 525 3HE MET 525 9.626 -9.536 -14.037 10 H VAL 526 H VAL 526 4.678 -6.020 -14.914 11 HA VAL 526 HA VAL 526 6.191 -5.332 -12.489 12 HB VAL 526 HB VAL 526 6.390 -2.979 -13.485 13 HG11 VAL 526 1HG1 VAL 526 8.186 -4.838 -13.217 14 HG12 VAL 526 2HG1 VAL 526 8.076 -4.949 -14.974 15 HG13 VAL 526 3HG1 VAL 526 8.538 -3.427 -14.214 16 HG21 VAL 526 1HG2 VAL 526 6.180 -4.449 -16.100 17 HG22 VAL 526 2HG2 VAL 526 4.828 -3.559 -15.399 18 HG23 VAL 526 3HG2 VAL 526 6.314 -2.712 -15.829 19 HA PRO 527 HA PRO 527 2.427 -3.685 -10.944 20 HB2 PRO 527 1HB PRO 527 3.322 -1.616 -9.432 21 HB3 PRO 527 2HB PRO 527 3.536 -3.308 -8.968 22 HG2 PRO 527 1HG PRO 527 5.482 -1.439 -10.265 23 HG3 PRO 527 2HG PRO 527 5.751 -2.600 -8.952 24 HD2 PRO 527 1HD PRO 527 6.445 -3.117 -11.517 25 HD3 PRO 527 2HD PRO 527 5.916 -4.388 -10.396 26 H GLY 528 H GLY 528 1.517 -1.267 -10.420 27 HA2 GLY 528 1HA GLY 528 1.792 1.024 -11.561 28 HA3 GLY 528 2HA GLY 528 1.600 0.086 -13.034 29 H ARG 529 H ARG 529 -0.321 -1.659 -11.350 30 HA ARG 529 HA ARG 529 -2.687 -0.148 -12.084 31 HB2 ARG 529 1HB ARG 529 -2.001 -2.934 -11.761 32 HB3 ARG 529 2HB ARG 529 -3.460 -2.553 -10.857 33 HG2 ARG 529 1HG ARG 529 -3.946 -3.336 -13.125 34 HG3 ARG 529 2HG ARG 529 -4.514 -1.686 -12.853 35 HD2 ARG 529 1HD ARG 529 -3.360 -2.110 -15.059 36 HD3 ARG 529 2HD ARG 529 -2.731 -0.768 -14.104 37 HE ARG 529 HE ARG 529 -0.752 -1.905 -13.854 38 HH11 ARG 529 1HH1 ARG 529 -3.184 -4.057 -15.110 39 HH12 ARG 529 2HH1 ARG 529 -2.065 -5.334 -15.451 40 HH21 ARG 529 1HH2 ARG 529 0.732 -3.580 -14.298 41 HH22 ARG 529 2HH2 ARG 529 0.163 -5.062 -14.988 42 H LEU 530 H LEU 530 -4.610 -0.761 -10.392 43 HA LEU 530 HA LEU 530 -3.749 0.494 -7.885 44 HB2 LEU 530 1HB LEU 530 -6.432 0.268 -9.226 45 HB3 LEU 530 2HB LEU 530 -6.229 0.873 -7.583 46 HG LEU 530 HG LEU 530 -6.449 2.764 -8.987 47 HD11 LEU 530 1HD1 LEU 530 -4.593 3.965 -8.374 48 HD12 LEU 530 2HD1 LEU 530 -3.480 2.652 -8.752 49 HD13 LEU 530 3HD1 LEU 530 -4.466 2.579 -7.293 50 HD21 LEU 530 1HD2 LEU 530 -5.859 1.447 -11.081 51 HD22 LEU 530 2HD2 LEU 530 -4.174 1.812 -10.706 52 HD23 LEU 530 3HD2 LEU 530 -5.314 3.123 -11.015 53 H PHE 531 H PHE 531 -3.801 -0.570 -6.009 54 HA PHE 531 HA PHE 531 -5.089 -3.219 -5.968 55 HB2 PHE 531 1HB PHE 531 -2.598 -2.183 -4.638 56 HB3 PHE 531 2HB PHE 531 -3.434 -3.602 -4.017 57 HD1 PHE 531 1HD PHE 531 -1.626 -2.217 -6.911 58 HD2 PHE 531 2HD PHE 531 -3.274 -5.701 -5.104 59 HE1 PHE 531 1HE PHE 531 -0.447 -3.622 -8.552 60 HE2 PHE 531 2HE PHE 531 -2.097 -7.110 -6.740 61 HZ PHE 531 HZ PHE 531 -0.681 -6.072 -8.467 62 H VAL 532 H VAL 532 -6.201 -3.869 -4.088 63 HA VAL 532 HA VAL 532 -7.005 -1.645 -2.327 64 HB VAL 532 HB VAL 532 -8.734 -4.017 -3.018 65 HG11 VAL 532 1HG1 VAL 532 -8.957 -1.724 -1.239 66 HG12 VAL 532 2HG1 VAL 532 -10.332 -1.884 -2.333 67 HG13 VAL 532 3HG1 VAL 532 -9.885 -3.224 -1.277 68 HG21 VAL 532 1HG2 VAL 532 -8.454 -1.361 -4.378 69 HG22 VAL 532 2HG2 VAL 532 -8.532 -2.972 -5.091 70 HG23 VAL 532 3HG2 VAL 532 -9.983 -2.241 -4.406 71 H ALA 533 H ALA 533 -6.355 -1.896 -0.303 72 HA ALA 533 HA ALA 533 -5.211 -4.270 0.701 73 HB1 ALA 533 1HB ALA 533 -6.110 -1.724 2.016 74 HB2 ALA 533 2HB ALA 533 -5.405 -3.057 2.931 75 HB3 ALA 533 3HB ALA 533 -4.467 -2.263 1.666 76 H ILE 534 H ILE 534 -6.126 -6.036 1.507 77 HA ILE 534 HA ILE 534 -8.955 -5.902 2.312 78 HB ILE 534 HB ILE 534 -9.016 -8.349 1.893 79 HG12 ILE 534 1HG1 ILE 534 -6.465 -8.123 0.353 80 HG13 ILE 534 2HG1 ILE 534 -6.376 -8.384 2.091 81 HG21 ILE 534 1HG2 ILE 534 -8.981 -8.181 -0.573 82 HG22 ILE 534 2HG2 ILE 534 -9.825 -6.840 0.197 83 HG23 ILE 534 3HG2 ILE 534 -8.192 -6.610 -0.428 84 HD11 ILE 534 1HD1 ILE 534 -6.294 -10.438 0.637 85 HD12 ILE 534 2HD1 ILE 534 -7.491 -10.451 1.932 86 HD13 ILE 534 3HD1 ILE 534 -7.992 -10.137 0.271 87 H LYS 535 H LYS 535 -5.826 -6.275 3.480 88 HA LYS 535 HA LYS 535 -6.861 -7.389 6.001 89 HB2 LYS 535 1HB LYS 535 -4.161 -7.978 4.771 90 HB3 LYS 535 2HB LYS 535 -4.729 -8.561 6.331 91 HG2 LYS 535 1HG LYS 535 -6.364 -9.178 3.931 92 HG3 LYS 535 2HG LYS 535 -4.846 -10.051 4.160 93 HD2 LYS 535 1HD LYS 535 -6.912 -9.820 6.334 94 HD3 LYS 535 2HD LYS 535 -6.947 -11.113 5.132 95 HE2 LYS 535 1HE LYS 535 -4.465 -10.553 6.712 96 HE3 LYS 535 2HE LYS 535 -5.765 -11.529 7.395 97 HZ1 LYS 535 1HZ LYS 535 -4.289 -12.091 4.881 98 HZ2 LYS 535 2HZ LYS 535 -5.583 -13.006 5.468 99 HZ3 LYS 535 3HZ LYS 535 -4.136 -12.932 6.340 100 HA PRO 536 HA PRO 536 -5.211 -3.601 7.612 101 HB2 PRO 536 1HB PRO 536 -5.599 -4.178 10.237 102 HB3 PRO 536 2HB PRO 536 -6.913 -3.705 9.153 103 HG2 PRO 536 1HG PRO 536 -6.100 -6.438 10.063 104 HG3 PRO 536 2HG PRO 536 -7.726 -5.749 9.906 105 HD2 PRO 536 1HD PRO 536 -6.662 -7.409 8.050 106 HD3 PRO 536 2HD PRO 536 -7.796 -6.109 7.631 107 H TYR 537 H TYR 537 -3.257 -2.919 8.345 108 HA TYR 537 HA TYR 537 -1.527 -4.686 9.852 109 HB2 TYR 537 1HB TYR 537 -1.275 -5.062 7.260 110 HB3 TYR 537 2HB TYR 537 -0.345 -3.569 7.338 111 HD1 TYR 537 1HD TYR 537 1.734 -3.479 8.688 112 HD2 TYR 537 2HD TYR 537 -0.388 -7.118 8.086 113 HE1 TYR 537 1HE TYR 537 3.719 -4.747 9.397 114 HE2 TYR 537 2HE TYR 537 1.591 -8.396 8.795 115 HH TYR 537 HH TYR 537 3.708 -7.779 10.382 116 H GLN 538 H GLN 538 0.316 -3.612 10.741 117 HA GLN 538 HA GLN 538 0.125 -0.673 10.650 118 HB2 GLN 538 1HB GLN 538 0.395 -2.544 12.964 119 HB3 GLN 538 2HB GLN 538 1.144 -0.956 13.067 120 HG2 GLN 538 1HG GLN 538 -1.730 -1.240 12.291 121 HG3 GLN 538 2HG GLN 538 -1.238 -1.284 13.984 122 HE21 GLN 538 1HE2 GLN 538 -1.769 2.195 12.191 123 HE22 GLN 538 2HE2 GLN 538 -2.341 0.671 11.613 124 HA PRO 539 HA PRO 539 4.391 -0.484 9.648 125 HB2 PRO 539 1HB PRO 539 5.179 1.742 10.987 126 HB3 PRO 539 2HB PRO 539 4.155 1.799 9.547 127 HG2 PRO 539 1HG PRO 539 3.378 1.978 12.432 128 HG3 PRO 539 2HG PRO 539 2.797 2.932 11.055 129 HD2 PRO 539 1HD PRO 539 1.390 0.865 12.091 130 HD3 PRO 539 2HD PRO 539 1.338 1.287 10.367 131 H GLN 540 H GLN 540 5.974 -1.754 10.360 132 HA GLN 540 HA GLN 540 6.722 -1.629 13.200 133 HB2 GLN 540 1HB GLN 540 6.018 -4.024 11.564 134 HB3 GLN 540 2HB GLN 540 7.276 -4.182 12.784 135 HG2 GLN 540 1HG GLN 540 5.477 -4.765 14.030 136 HG3 GLN 540 2HG GLN 540 5.455 -3.023 14.302 137 HE21 GLN 540 1HE2 GLN 540 2.632 -4.742 11.888 138 HE22 GLN 540 2HE2 GLN 540 4.171 -5.494 12.113 139 H VAL 541 H VAL 541 7.695 -0.966 10.218 140 HA VAL 541 HA VAL 541 10.507 -1.366 10.894 141 HB VAL 541 HB VAL 541 9.481 -2.086 8.151 142 HG11 VAL 541 1HG1 VAL 541 11.855 -3.330 8.437 143 HG12 VAL 541 2HG1 VAL 541 11.672 -1.713 7.753 144 HG13 VAL 541 3HG1 VAL 541 12.122 -1.910 9.447 145 HG21 VAL 541 1HG2 VAL 541 10.147 -3.905 10.463 146 HG22 VAL 541 2HG2 VAL 541 8.572 -3.702 9.694 147 HG23 VAL 541 3HG2 VAL 541 9.901 -4.441 8.800 148 H ASP 542 H ASP 542 11.946 0.037 9.762 149 HA ASP 542 HA ASP 542 11.031 2.645 9.433 150 HB2 ASP 542 1HB ASP 542 13.346 2.278 9.900 151 HB3 ASP 542 2HB ASP 542 13.545 1.293 8.453 152 H GLY 543 H GLY 543 9.617 3.312 7.954 153 HA2 GLY 543 1HA GLY 543 9.345 4.035 5.657 154 HA3 GLY 543 2HA GLY 543 10.093 2.528 5.150 155 H GLU 544 H GLU 544 8.593 0.855 6.963 156 HA GLU 544 HA GLU 544 6.466 0.116 5.374 157 HB2 GLU 544 1HB GLU 544 7.271 -0.422 8.172 158 HB3 GLU 544 2HB GLU 544 5.595 -0.766 7.771 159 HG2 GLU 544 1HG GLU 544 6.491 -2.106 5.814 160 HG3 GLU 544 2HG GLU 544 8.074 -1.959 6.576 161 H ILE 545 H ILE 545 4.199 0.351 5.553 162 HA ILE 545 HA ILE 545 3.296 2.671 7.123 163 HB ILE 545 HB ILE 545 1.646 2.950 5.083 164 HG12 ILE 545 1HG1 ILE 545 4.119 1.796 3.776 165 HG13 ILE 545 2HG1 ILE 545 2.552 0.998 3.860 166 HG21 ILE 545 1HG2 ILE 545 3.288 4.595 6.005 167 HG22 ILE 545 2HG2 ILE 545 4.480 3.945 4.881 168 HG23 ILE 545 3HG2 ILE 545 3.022 4.721 4.267 169 HD11 ILE 545 1HD1 ILE 545 3.071 2.105 1.686 170 HD12 ILE 545 2HD1 ILE 545 1.565 2.626 2.442 171 HD13 ILE 545 3HD1 ILE 545 2.996 3.654 2.526 172 HA PRO 546 HA PRO 546 -0.083 0.213 8.464 173 HB2 PRO 546 1HB PRO 546 -2.094 2.034 8.585 174 HB3 PRO 546 2HB PRO 546 -0.751 2.009 9.734 175 HG2 PRO 546 1HG PRO 546 -1.146 3.736 7.321 176 HG3 PRO 546 2HG PRO 546 -0.558 4.183 8.933 177 HD2 PRO 546 1HD PRO 546 1.105 3.781 6.833 178 HD3 PRO 546 2HD PRO 546 1.573 3.412 8.506 179 H LEU 547 H LEU 547 -2.336 -0.461 7.935 180 HA LEU 547 HA LEU 547 -3.203 0.068 5.209 181 HB2 LEU 547 1HB LEU 547 -2.374 -2.642 6.211 182 HB3 LEU 547 2HB LEU 547 -3.435 -2.425 4.821 183 HG LEU 547 HG LEU 547 -0.714 -1.164 4.903 184 HD11 LEU 547 1HD1 LEU 547 0.286 -3.137 4.806 185 HD12 LEU 547 2HD1 LEU 547 -0.617 -3.499 3.334 186 HD13 LEU 547 3HD1 LEU 547 -1.267 -3.967 4.905 187 HD21 LEU 547 1HD2 LEU 547 -1.048 -0.726 2.714 188 HD22 LEU 547 2HD2 LEU 547 -2.746 -0.829 3.179 189 HD23 LEU 547 3HD2 LEU 547 -1.948 -2.218 2.438 190 H HIS 548 H HIS 548 -5.365 -0.675 4.773 191 HA HIS 548 HA HIS 548 -6.915 -1.615 7.058 192 HB2 HIS 548 1HB HIS 548 -6.804 1.033 6.754 193 HB3 HIS 548 2HB HIS 548 -8.071 0.697 5.578 194 HD1 HIS 548 1HD HIS 548 -10.380 0.291 6.469 195 HD2 HIS 548 2HD HIS 548 -7.486 0.222 9.449 196 HE1 HIS 548 1HE HIS 548 -11.649 0.191 8.637 197 H ARG 549 H ARG 549 -9.011 -2.424 6.485 198 HA ARG 549 HA ARG 549 -9.022 -3.705 3.923 199 HB2 ARG 549 1HB ARG 549 -11.310 -3.656 5.884 200 HB3 ARG 549 2HB ARG 549 -10.929 -4.890 4.690 201 HG2 ARG 549 1HG ARG 549 -8.730 -5.142 6.069 202 HG3 ARG 549 2HG ARG 549 -9.677 -4.369 7.341 203 HD2 ARG 549 1HD ARG 549 -10.149 -6.991 5.966 204 HD3 ARG 549 2HD ARG 549 -10.002 -6.656 7.690 205 HE ARG 549 HE ARG 549 -12.375 -6.468 6.086 206 HH11 ARG 549 1HH1 ARG 549 -10.773 -5.331 8.960 207 HH12 ARG 549 2HH1 ARG 549 -12.245 -4.908 9.770 208 HH21 ARG 549 1HH2 ARG 549 -14.319 -5.916 7.143 209 HH22 ARG 549 2HH2 ARG 549 -14.262 -5.242 8.737 210 H GLY 550 H GLY 550 -9.710 -2.800 2.105 211 HA2 GLY 550 1HA GLY 550 -11.493 -1.911 0.783 212 HA3 GLY 550 2HA GLY 550 -12.081 -1.065 2.207 213 H ASP 551 H ASP 551 -8.783 -0.754 2.118 214 HA ASP 551 HA ASP 551 -8.997 1.995 1.209 215 HB2 ASP 551 1HB ASP 551 -7.113 0.427 2.839 216 HB3 ASP 551 2HB ASP 551 -6.351 1.629 1.800 217 H ARG 552 H ARG 552 -8.135 2.830 -0.620 218 HA ARG 552 HA ARG 552 -7.235 0.928 -2.631 219 HB2 ARG 552 1HB ARG 552 -8.361 3.672 -2.647 220 HB3 ARG 552 2HB ARG 552 -7.248 3.271 -3.948 221 HG2 ARG 552 1HG ARG 552 -9.546 2.874 -4.614 222 HG3 ARG 552 2HG ARG 552 -8.640 1.360 -4.556 223 HD2 ARG 552 1HD ARG 552 -10.787 0.985 -3.567 224 HD3 ARG 552 2HD ARG 552 -9.578 0.963 -2.284 225 HE ARG 552 HE ARG 552 -10.562 2.817 -1.369 226 HH11 ARG 552 1HH1 ARG 552 -11.712 2.400 -4.629 227 HH12 ARG 552 2HH1 ARG 552 -12.920 3.635 -4.500 228 HH21 ARG 552 1HH2 ARG 552 -12.149 4.445 -1.186 229 HH22 ARG 552 2HH2 ARG 552 -13.168 4.798 -2.541 230 H VAL 553 H VAL 553 -5.129 0.426 -2.286 231 HA VAL 553 HA VAL 553 -3.201 2.544 -1.745 232 HB VAL 553 HB VAL 553 -2.834 -0.449 -1.929 233 HG11 VAL 553 1HG1 VAL 553 -0.921 1.783 -1.694 234 HG12 VAL 553 2HG1 VAL 553 -0.665 0.425 -0.598 235 HG13 VAL 553 3HG1 VAL 553 -0.698 0.159 -2.341 236 HG21 VAL 553 1HG2 VAL 553 -3.638 1.356 0.210 237 HG22 VAL 553 2HG2 VAL 553 -3.749 -0.402 0.110 238 HG23 VAL 553 3HG2 VAL 553 -2.247 0.359 0.636 239 H LYS 554 H LYS 554 -1.534 3.120 -3.100 240 HA LYS 554 HA LYS 554 -1.794 2.194 -5.882 241 HB2 LYS 554 1HB LYS 554 -2.220 4.585 -5.570 242 HB3 LYS 554 2HB LYS 554 -0.651 4.777 -4.801 243 HG2 LYS 554 1HG LYS 554 0.022 5.394 -6.841 244 HG3 LYS 554 2HG LYS 554 0.064 3.660 -7.165 245 HD2 LYS 554 1HD LYS 554 -1.818 3.716 -8.446 246 HD3 LYS 554 2HD LYS 554 -2.531 5.047 -7.531 247 HE2 LYS 554 1HE LYS 554 -1.870 5.631 -9.869 248 HE3 LYS 554 2HE LYS 554 -1.134 6.642 -8.627 249 HZ1 LYS 554 1HZ LYS 554 0.914 5.863 -9.079 250 HZ2 LYS 554 2HZ LYS 554 0.243 5.516 -10.592 251 HZ3 LYS 554 3HZ LYS 554 0.382 4.295 -9.428 252 H VAL 555 H VAL 555 -0.262 0.865 -6.567 253 HA VAL 555 HA VAL 555 2.204 0.547 -5.102 254 HB VAL 555 HB VAL 555 1.257 -0.798 -7.637 255 HG11 VAL 555 1HG1 VAL 555 3.018 -2.435 -7.203 256 HG12 VAL 555 2HG1 VAL 555 3.691 -0.821 -7.440 257 HG13 VAL 555 3HG1 VAL 555 3.558 -1.492 -5.814 258 HG21 VAL 555 1HG2 VAL 555 0.860 -2.729 -6.113 259 HG22 VAL 555 2HG2 VAL 555 1.176 -1.658 -4.748 260 HG23 VAL 555 3HG2 VAL 555 -0.197 -1.351 -5.812 261 H LEU 556 H LEU 556 4.269 0.985 -5.820 262 HA LEU 556 HA LEU 556 4.481 2.600 -8.274 263 HB2 LEU 556 1HB LEU 556 6.145 3.024 -5.806 264 HB3 LEU 556 2HB LEU 556 6.031 4.060 -7.228 265 HG LEU 556 HG LEU 556 3.661 3.597 -5.445 266 HD11 LEU 556 1HD1 LEU 556 5.536 4.377 -4.046 267 HD12 LEU 556 2HD1 LEU 556 4.247 5.571 -4.187 268 HD13 LEU 556 3HD1 LEU 556 5.732 5.764 -5.119 269 HD21 LEU 556 1HD2 LEU 556 3.696 4.708 -7.825 270 HD22 LEU 556 2HD2 LEU 556 4.284 6.106 -6.924 271 HD23 LEU 556 3HD2 LEU 556 2.724 5.389 -6.521 272 H SER 557 H SER 557 6.366 0.712 -5.915 273 HA SER 557 HA SER 557 7.790 -0.546 -8.134 274 HB2 SER 557 1HB SER 557 9.482 0.954 -7.745 275 HB3 SER 557 2HB SER 557 9.008 1.216 -6.067 276 HG SER 557 HG SER 557 10.566 -0.844 -7.180 277 H ILE 558 H ILE 558 8.709 -2.571 -7.627 278 HA ILE 558 HA ILE 558 7.266 -4.078 -5.715 279 HB ILE 558 HB ILE 558 9.805 -4.860 -7.150 280 HG12 ILE 558 1HG1 ILE 558 7.978 -4.140 -8.678 281 HG13 ILE 558 2HG1 ILE 558 8.378 -5.847 -8.844 282 HG21 ILE 558 1HG2 ILE 558 7.796 -6.354 -5.526 283 HG22 ILE 558 2HG2 ILE 558 8.631 -7.170 -6.847 284 HG23 ILE 558 3HG2 ILE 558 9.556 -6.467 -5.520 285 HD11 ILE 558 1HD1 ILE 558 5.864 -4.709 -8.411 286 HD12 ILE 558 2HD1 ILE 558 6.289 -6.422 -8.413 287 HD13 ILE 558 3HD1 ILE 558 6.300 -5.511 -6.903 288 H GLY 559 H GLY 559 7.927 -5.036 -3.789 289 HA2 GLY 559 1HA GLY 559 10.044 -3.576 -2.402 290 HA3 GLY 559 2HA GLY 559 8.824 -4.597 -1.654 291 H GLU 560 H GLU 560 10.178 -5.868 -0.455 292 HA GLU 560 HA GLU 560 11.822 -7.748 -1.994 293 HB2 GLU 560 1HB GLU 560 13.344 -6.054 -1.077 294 HB3 GLU 560 2HB GLU 560 12.713 -6.353 0.537 295 HG2 GLU 560 1HG GLU 560 13.794 -8.360 0.742 296 HG3 GLU 560 2HG GLU 560 13.856 -8.629 -0.999 297 H GLY 561 H GLY 561 11.212 -9.758 -1.570 298 HA2 GLY 561 1HA GLY 561 10.586 -11.627 -0.370 299 HA3 GLY 561 2HA GLY 561 10.779 -10.690 1.103 300 H GLY 562 H GLY 562 8.619 -10.576 -1.740 301 HA2 GLY 562 1HA GLY 562 6.319 -10.647 -1.859 302 HA3 GLY 562 2HA GLY 562 6.302 -11.187 -0.187 303 H PHE 563 H PHE 563 8.044 -8.314 -0.675 304 HA PHE 563 HA PHE 563 5.918 -6.801 0.636 305 HB2 PHE 563 1HB PHE 563 8.826 -6.733 0.645 306 HB3 PHE 563 2HB PHE 563 8.134 -5.134 0.391 307 HD1 PHE 563 1HD PHE 563 8.941 -7.645 2.776 308 HD2 PHE 563 2HD PHE 563 6.359 -4.341 2.048 309 HE1 PHE 563 1HE PHE 563 8.510 -7.454 5.191 310 HE2 PHE 563 2HE PHE 563 5.925 -4.144 4.462 311 HZ PHE 563 HZ PHE 563 7.001 -5.702 6.037 312 H TRP 564 H TRP 564 5.924 -4.368 -0.028 313 HA TRP 564 HA TRP 564 6.280 -3.961 -2.883 314 HB2 TRP 564 1HB TRP 564 3.771 -4.740 -1.861 315 HB3 TRP 564 2HB TRP 564 3.646 -3.015 -2.196 316 HD1 TRP 564 HD TRP 564 5.579 -3.060 -4.809 317 HE1 TRP 564 1HE TRP 564 4.633 -4.030 -6.998 318 HE3 TRP 564 3HE TRP 564 1.776 -5.877 -2.874 319 HZ2 TRP 564 2HZ TRP 564 2.551 -5.759 -7.799 320 HZ3 TRP 564 3HZ TRP 564 0.353 -7.158 -4.419 321 HH2 TRP 564 HH TRP 564 0.733 -7.098 -6.830 322 H GLU 565 H GLU 565 6.182 -1.748 -3.511 323 HA GLU 565 HA GLU 565 6.354 0.127 -1.244 324 HB2 GLU 565 1HB GLU 565 8.424 -0.522 -2.848 325 HB3 GLU 565 2HB GLU 565 7.742 0.811 -3.769 326 HG2 GLU 565 1HG GLU 565 8.210 1.170 -0.854 327 HG3 GLU 565 2HG GLU 565 9.585 1.220 -1.957 328 H GLY 566 H GLY 566 4.640 1.421 -1.215 329 HA2 GLY 566 1HA GLY 566 3.913 2.904 -3.591 330 HA3 GLY 566 2HA GLY 566 2.678 1.786 -3.031 331 H SER 567 H SER 567 1.357 3.706 -2.760 332 HA SER 567 HA SER 567 1.873 4.988 -0.164 333 HB2 SER 567 1HB SER 567 0.630 6.447 -2.498 334 HB3 SER 567 2HB SER 567 1.191 7.126 -0.970 335 HG SER 567 HG SER 567 2.612 7.342 -2.888 336 H ALA 568 H ALA 568 0.185 5.019 1.202 337 HA ALA 568 HA ALA 568 -2.496 4.453 0.142 338 HB1 ALA 568 1HB ALA 568 -1.358 3.112 2.589 339 HB2 ALA 568 2HB ALA 568 -2.934 2.826 1.851 340 HB3 ALA 568 3HB ALA 568 -1.462 2.360 0.998 341 H ARG 569 H ARG 569 -4.015 5.772 0.919 342 HA ARG 569 HA ARG 569 -5.051 7.389 2.137 343 HB2 ARG 569 1HB ARG 569 -3.603 5.784 4.163 344 HB3 ARG 569 2HB ARG 569 -4.155 7.373 4.678 345 HG2 ARG 569 1HG ARG 569 -6.423 6.601 3.642 346 HG3 ARG 569 2HG ARG 569 -5.739 4.988 3.860 347 HD2 ARG 569 1HD ARG 569 -5.793 7.003 6.085 348 HD3 ARG 569 2HD ARG 569 -7.165 5.946 5.757 349 HE ARG 569 HE ARG 569 -4.779 4.439 5.975 350 HH11 ARG 569 1HH1 ARG 569 -7.114 6.177 7.885 351 HH12 ARG 569 2HH1 ARG 569 -6.850 5.227 9.309 352 HH21 ARG 569 1HH2 ARG 569 -4.422 3.181 7.844 353 HH22 ARG 569 2HH2 ARG 569 -5.317 3.523 9.285 354 H GLY 570 H GLY 570 -2.308 7.794 0.895 355 HA2 GLY 570 1HA GLY 570 -1.377 9.963 0.530 356 HA3 GLY 570 2HA GLY 570 -1.822 10.395 2.176 357 H HIS 571 H HIS 571 -0.744 7.765 3.142 358 HA HIS 571 HA HIS 571 1.948 8.687 3.592 359 HB2 HIS 571 1HB HIS 571 0.467 6.223 4.524 360 HB3 HIS 571 2HB HIS 571 2.117 6.614 5.002 361 HD1 HIS 571 1HD HIS 571 0.795 6.512 7.428 362 HD2 HIS 571 2HD HIS 571 0.120 9.809 4.990 363 HE1 HIS 571 1HE HIS 571 -0.144 8.287 8.941 364 H ILE 572 H ILE 572 3.674 8.170 2.431 365 HA ILE 572 HA ILE 572 3.470 5.956 0.516 366 HB ILE 572 HB ILE 572 5.584 8.104 0.586 367 HG12 ILE 572 1HG1 ILE 572 4.000 8.723 -1.547 368 HG13 ILE 572 2HG1 ILE 572 2.801 8.157 -0.389 369 HG21 ILE 572 1HG2 ILE 572 6.475 6.529 -0.788 370 HG22 ILE 572 2HG2 ILE 572 4.903 5.858 -1.221 371 HG23 ILE 572 3HG2 ILE 572 5.456 7.358 -1.965 372 HD11 ILE 572 1HD1 ILE 572 3.328 9.839 1.144 373 HD12 ILE 572 2HD1 ILE 572 4.853 10.213 0.341 374 HD13 ILE 572 3HD1 ILE 572 3.324 10.642 -0.426 375 H GLY 573 H GLY 573 4.411 4.097 1.020 376 HA2 GLY 573 1HA GLY 573 7.082 3.951 2.004 377 HA3 GLY 573 2HA GLY 573 5.924 3.578 3.272 378 H TRP 574 H TRP 574 6.874 1.460 3.339 379 HA TRP 574 HA TRP 574 6.291 -0.247 1.029 380 HB2 TRP 574 1HB TRP 574 8.204 -0.370 3.291 381 HB3 TRP 574 2HB TRP 574 7.557 -1.908 2.727 382 HD1 TRP 574 HD TRP 574 8.089 -2.567 0.130 383 HE1 TRP 574 1HE TRP 574 10.075 -1.920 -1.374 384 HE3 TRP 574 3HE TRP 574 9.839 1.442 2.776 385 HZ2 TRP 574 2HZ TRP 574 12.114 0.031 -1.431 386 HZ3 TRP 574 3HZ TRP 574 11.813 2.643 1.928 387 HH2 TRP 574 HH TRP 574 12.925 1.951 -0.131 388 H PHE 575 H PHE 575 5.403 -2.429 1.482 389 HA PHE 575 HA PHE 575 4.005 -2.977 3.882 390 HB2 PHE 575 1HB PHE 575 1.706 -2.716 3.091 391 HB3 PHE 575 2HB PHE 575 2.547 -1.169 3.061 392 HD1 PHE 575 1HD PHE 575 1.325 -3.949 0.968 393 HD2 PHE 575 2HD PHE 575 2.843 0.026 1.047 394 HE1 PHE 575 1HE PHE 575 0.721 -3.675 -1.402 395 HE2 PHE 575 2HE PHE 575 2.242 0.307 -1.322 396 HZ PHE 575 HZ PHE 575 1.178 -1.545 -2.549 397 HA PRO 576 HA PRO 576 4.046 -7.006 2.143 398 HB2 PRO 576 1HB PRO 576 1.955 -8.157 3.436 399 HB3 PRO 576 2HB PRO 576 3.488 -7.783 4.232 400 HG2 PRO 576 1HG PRO 576 0.915 -6.251 4.257 401 HG3 PRO 576 2HG PRO 576 2.022 -6.601 5.598 402 HD2 PRO 576 1HD PRO 576 1.989 -4.212 4.325 403 HD3 PRO 576 2HD PRO 576 3.470 -4.907 5.013 404 H ALA 577 H ALA 577 3.335 -7.896 0.303 405 HA ALA 577 HA ALA 577 1.191 -6.745 -1.155 406 HB1 ALA 577 1HB ALA 577 2.539 -9.373 -1.741 407 HB2 ALA 577 2HB ALA 577 1.718 -8.299 -2.876 408 HB3 ALA 577 3HB ALA 577 3.241 -7.804 -2.139 409 H GLU 578 H GLU 578 1.446 -9.463 0.997 410 HA GLU 578 HA GLU 578 -0.871 -10.861 0.181 411 HB2 GLU 578 1HB GLU 578 -0.754 -11.869 2.484 412 HB3 GLU 578 2HB GLU 578 0.717 -12.013 1.533 413 HG2 GLU 578 1HG GLU 578 1.836 -10.403 2.798 414 HG3 GLU 578 2HG GLU 578 0.341 -9.781 3.492 415 H CYS 579 H CYS 579 -0.491 -7.883 1.725 416 HA CYS 579 HA CYS 579 -3.051 -8.000 3.111 417 HB2 CYS 579 1HB CYS 579 -0.707 -6.182 3.127 418 HB3 CYS 579 2HB CYS 579 -2.273 -5.444 3.442 419 HG CYS 579 HG CYS 579 -2.050 -8.155 5.256 420 H VAL 580 H VAL 580 -1.866 -7.202 0.063 421 HA VAL 580 HA VAL 580 -4.197 -5.485 -0.493 422 HB VAL 580 HB VAL 580 -2.860 -4.831 -2.574 423 HG11 VAL 580 1HG1 VAL 580 -1.925 -3.002 -1.479 424 HG12 VAL 580 2HG1 VAL 580 -3.210 -3.518 -0.386 425 HG13 VAL 580 3HG1 VAL 580 -1.534 -3.942 -0.039 426 HG21 VAL 580 1HG2 VAL 580 -1.202 -6.594 -2.506 427 HG22 VAL 580 2HG2 VAL 580 -0.411 -5.026 -2.346 428 HG23 VAL 580 3HG2 VAL 580 -0.643 -6.044 -0.925 429 H GLU 581 H GLU 581 -5.390 -5.844 -2.399 430 HA GLU 581 HA GLU 581 -4.821 -8.267 -3.923 431 HB2 GLU 581 1HB GLU 581 -6.240 -9.137 -2.202 432 HB3 GLU 581 2HB GLU 581 -7.362 -7.793 -2.366 433 HG2 GLU 581 1HG GLU 581 -8.033 -8.570 -4.552 434 HG3 GLU 581 2HG GLU 581 -6.842 -9.868 -4.483 435 H GLU 582 H GLU 582 -5.496 -8.181 -6.017 436 HA GLU 582 HA GLU 582 -6.036 -5.686 -7.172 437 HB2 GLU 582 1HB GLU 582 -5.936 -8.491 -8.110 438 HB3 GLU 582 2HB GLU 582 -6.858 -7.378 -9.111 439 HG2 GLU 582 1HG GLU 582 -4.696 -5.893 -8.840 440 HG3 GLU 582 2HG GLU 582 -3.947 -7.462 -8.549 441 H VAL 583 H VAL 583 -7.890 -4.773 -8.033 442 HA VAL 583 HA VAL 583 -10.257 -4.996 -6.635 443 HB VAL 583 HB VAL 583 -11.332 -3.744 -8.428 444 HG11 VAL 583 1HG1 VAL 583 -10.127 -2.301 -7.090 445 HG12 VAL 583 2HG1 VAL 583 -8.571 -2.976 -7.580 446 HG13 VAL 583 3HG1 VAL 583 -9.473 -1.940 -8.688 447 HG21 VAL 583 1HG2 VAL 583 -10.023 -3.209 -10.488 448 HG22 VAL 583 2HG2 VAL 583 -8.863 -4.448 -10.009 449 HG23 VAL 583 3HG2 VAL 583 -10.530 -4.894 -10.369 450 H GLN 584 H GLN 584 -12.302 -5.891 -7.120 451 HA GLN 584 HA GLN 584 -12.259 -8.116 -9.047 452 HB2 GLN 584 1HB GLN 584 -13.121 -8.094 -6.180 453 HB3 GLN 584 2HB GLN 584 -13.906 -9.187 -7.311 454 HG2 GLN 584 1HG GLN 584 -10.927 -9.085 -6.961 455 HG3 GLN 584 2HG GLN 584 -11.971 -10.121 -5.988 456 HE21 GLN 584 1HE2 GLN 584 -12.949 -12.091 -8.877 457 HE22 GLN 584 2HE2 GLN 584 -13.692 -11.229 -7.577 458 H SER 585 H SER 585 -13.737 -7.849 -10.570 459 HA SER 585 HA SER 585 -15.641 -5.837 -10.645 460 HB2 SER 585 1HB SER 585 -14.894 -7.028 -12.650 461 HB3 SER 585 2HB SER 585 -15.687 -8.499 -12.090 462 HG SER 585 HG SER 585 -16.738 -6.372 -13.395 Start of MODEL 19 1 H1 MET 525 H MET 525 3.128 -11.516 -13.425 2 HA MET 525 HA MET 525 3.346 -10.968 -11.227 3 HB2 MET 525 1HB MET 525 5.645 -11.046 -10.225 4 HB3 MET 525 2HB MET 525 5.165 -12.513 -11.070 5 HG2 MET 525 1HG MET 525 6.611 -12.121 -12.838 6 HG3 MET 525 2HG MET 525 6.752 -10.403 -12.470 7 HE1 MET 525 1HE MET 525 9.739 -10.078 -10.360 8 HE2 MET 525 2HE MET 525 8.696 -9.462 -11.641 9 HE3 MET 525 3HE MET 525 8.077 -9.614 -9.997 10 H VAL 526 H VAL 526 3.435 -8.965 -13.430 11 HA VAL 526 HA VAL 526 5.136 -6.841 -12.969 12 HB VAL 526 HB VAL 526 3.190 -5.387 -13.771 13 HG11 VAL 526 1HG1 VAL 526 3.262 -6.434 -16.068 14 HG12 VAL 526 2HG1 VAL 526 4.829 -6.077 -15.336 15 HG13 VAL 526 3HG1 VAL 526 4.217 -7.732 -15.352 16 HG21 VAL 526 1HG2 VAL 526 1.489 -7.085 -12.913 17 HG22 VAL 526 2HG2 VAL 526 1.203 -6.394 -14.510 18 HG23 VAL 526 3HG2 VAL 526 1.870 -8.020 -14.359 19 HA PRO 527 HA PRO 527 4.089 -5.051 -9.100 20 HB2 PRO 527 1HB PRO 527 4.457 -2.410 -9.612 21 HB3 PRO 527 2HB PRO 527 5.796 -3.554 -9.462 22 HG2 PRO 527 1HG PRO 527 4.498 -2.472 -11.932 23 HG3 PRO 527 2HG PRO 527 6.221 -2.711 -11.586 24 HD2 PRO 527 1HD PRO 527 4.784 -4.440 -13.093 25 HD3 PRO 527 2HD PRO 527 6.133 -4.964 -12.065 26 H GLY 528 H GLY 528 2.221 -4.481 -11.874 27 HA2 GLY 528 1HA GLY 528 -0.019 -3.988 -12.090 28 HA3 GLY 528 2HA GLY 528 -0.126 -3.959 -10.336 29 H ARG 529 H ARG 529 -1.507 -2.143 -10.433 30 HA ARG 529 HA ARG 529 -0.051 0.369 -10.628 31 HB2 ARG 529 1HB ARG 529 -2.355 -0.393 -12.382 32 HB3 ARG 529 2HB ARG 529 -2.170 1.283 -11.881 33 HG2 ARG 529 1HG ARG 529 -0.950 1.429 -13.758 34 HG3 ARG 529 2HG ARG 529 0.329 0.770 -12.736 35 HD2 ARG 529 1HD ARG 529 0.219 -1.300 -13.695 36 HD3 ARG 529 2HD ARG 529 -1.493 -1.145 -14.087 37 HE ARG 529 HE ARG 529 -0.366 0.656 -15.730 38 HH11 ARG 529 1HH1 ARG 529 0.368 -2.680 -15.056 39 HH12 ARG 529 2HH1 ARG 529 0.986 -3.000 -16.642 40 HH21 ARG 529 1HH2 ARG 529 0.446 0.247 -17.822 41 HH22 ARG 529 2HH2 ARG 529 1.030 -1.334 -18.215 42 H LEU 530 H LEU 530 -3.383 -0.861 -10.254 43 HA LEU 530 HA LEU 530 -3.595 0.766 -7.806 44 HB2 LEU 530 1HB LEU 530 -5.834 -0.081 -9.636 45 HB3 LEU 530 2HB LEU 530 -5.967 0.964 -8.224 46 HG LEU 530 HG LEU 530 -6.053 2.478 -9.958 47 HD11 LEU 530 1HD1 LEU 530 -4.240 3.820 -9.644 48 HD12 LEU 530 2HD1 LEU 530 -3.087 2.498 -9.818 49 HD13 LEU 530 3HD1 LEU 530 -3.992 2.687 -8.316 50 HD21 LEU 530 1HD2 LEU 530 -4.554 0.433 -11.384 51 HD22 LEU 530 2HD2 LEU 530 -3.995 2.067 -11.743 52 HD23 LEU 530 3HD2 LEU 530 -5.688 1.640 -11.992 53 H PHE 531 H PHE 531 -3.872 -0.313 -5.974 54 HA PHE 531 HA PHE 531 -4.993 -3.034 -6.097 55 HB2 PHE 531 1HB PHE 531 -2.583 -2.027 -4.606 56 HB3 PHE 531 2HB PHE 531 -3.462 -3.448 -4.050 57 HD1 PHE 531 1HD PHE 531 -3.239 -5.537 -5.136 58 HD2 PHE 531 2HD PHE 531 -1.487 -2.045 -6.827 59 HE1 PHE 531 1HE PHE 531 -1.975 -6.939 -6.716 60 HE2 PHE 531 2HE PHE 531 -0.221 -3.441 -8.408 61 HZ PHE 531 HZ PHE 531 -0.465 -5.892 -8.355 62 H VAL 532 H VAL 532 -5.892 -3.782 -4.002 63 HA VAL 532 HA VAL 532 -6.934 -1.555 -2.381 64 HB VAL 532 HB VAL 532 -8.568 -3.978 -3.121 65 HG11 VAL 532 1HG1 VAL 532 -9.665 -3.185 -1.312 66 HG12 VAL 532 2HG1 VAL 532 -8.975 -1.569 -1.467 67 HG13 VAL 532 3HG1 VAL 532 -10.330 -2.051 -2.488 68 HG21 VAL 532 1HG2 VAL 532 -8.296 -2.908 -5.184 69 HG22 VAL 532 2HG2 VAL 532 -9.824 -2.278 -4.568 70 HG23 VAL 532 3HG2 VAL 532 -8.361 -1.301 -4.462 71 H ALA 533 H ALA 533 -6.381 -1.779 -0.325 72 HA ALA 533 HA ALA 533 -5.204 -4.130 0.721 73 HB1 ALA 533 1HB ALA 533 -6.159 -1.578 1.981 74 HB2 ALA 533 2HB ALA 533 -5.478 -2.895 2.937 75 HB3 ALA 533 3HB ALA 533 -4.504 -2.114 1.691 76 H ILE 534 H ILE 534 -6.138 -5.911 1.465 77 HA ILE 534 HA ILE 534 -8.986 -5.801 2.203 78 HB ILE 534 HB ILE 534 -8.928 -8.293 1.866 79 HG12 ILE 534 1HG1 ILE 534 -6.337 -7.763 0.413 80 HG13 ILE 534 2HG1 ILE 534 -6.389 -8.382 2.060 81 HG21 ILE 534 1HG2 ILE 534 -8.672 -6.227 -0.221 82 HG22 ILE 534 2HG2 ILE 534 -8.511 -7.898 -0.761 83 HG23 ILE 534 3HG2 ILE 534 -9.970 -7.382 0.083 84 HD11 ILE 534 1HD1 ILE 534 -7.683 -9.727 -0.297 85 HD12 ILE 534 2HD1 ILE 534 -6.086 -10.127 0.337 86 HD13 ILE 534 3HD1 ILE 534 -7.518 -10.365 1.339 87 H LYS 535 H LYS 535 -5.863 -6.200 3.452 88 HA LYS 535 HA LYS 535 -6.984 -7.201 5.983 89 HB2 LYS 535 1HB LYS 535 -4.278 -7.922 4.841 90 HB3 LYS 535 2HB LYS 535 -4.923 -8.455 6.389 91 HG2 LYS 535 1HG LYS 535 -6.512 -9.051 3.957 92 HG3 LYS 535 2HG LYS 535 -5.026 -9.965 4.221 93 HD2 LYS 535 1HD LYS 535 -6.495 -11.298 5.353 94 HD3 LYS 535 2HD LYS 535 -6.034 -10.202 6.658 95 HE2 LYS 535 1HE LYS 535 -8.020 -8.935 6.416 96 HE3 LYS 535 2HE LYS 535 -8.413 -9.710 4.883 97 HZ1 LYS 535 1HZ LYS 535 -9.361 -10.440 7.320 98 HZ2 LYS 535 2HZ LYS 535 -8.141 -11.578 7.040 99 HZ3 LYS 535 3HZ LYS 535 -9.400 -11.395 5.924 100 HA PRO 536 HA PRO 536 -5.216 -3.454 7.550 101 HB2 PRO 536 1HB PRO 536 -5.586 -3.992 10.186 102 HB3 PRO 536 2HB PRO 536 -6.901 -3.505 9.111 103 HG2 PRO 536 1HG PRO 536 -6.134 -6.243 10.045 104 HG3 PRO 536 2HG PRO 536 -7.748 -5.522 9.899 105 HD2 PRO 536 1HD PRO 536 -6.741 -7.226 8.051 106 HD3 PRO 536 2HD PRO 536 -7.852 -5.908 7.629 107 H TYR 537 H TYR 537 -3.343 -2.752 8.601 108 HA TYR 537 HA TYR 537 -1.614 -4.523 10.021 109 HB2 TYR 537 1HB TYR 537 -1.411 -4.830 7.319 110 HB3 TYR 537 2HB TYR 537 -0.201 -3.586 7.609 111 HD1 TYR 537 1HD TYR 537 -1.275 -6.948 8.810 112 HD2 TYR 537 2HD TYR 537 1.931 -4.194 8.318 113 HE1 TYR 537 1HE TYR 537 0.315 -8.676 9.543 114 HE2 TYR 537 2HE TYR 537 3.529 -5.915 9.047 115 HH TYR 537 HH TYR 537 2.846 -9.126 9.168 116 H GLN 538 H GLN 538 0.253 -3.460 10.865 117 HA GLN 538 HA GLN 538 0.136 -0.523 10.639 118 HB2 GLN 538 1HB GLN 538 0.399 -2.307 13.018 119 HB3 GLN 538 2HB GLN 538 1.208 -0.745 13.046 120 HG2 GLN 538 1HG GLN 538 -1.659 -0.851 12.268 121 HG3 GLN 538 2HG GLN 538 -1.230 -1.043 13.967 122 HE21 GLN 538 1HE2 GLN 538 -1.423 2.577 12.370 123 HE22 GLN 538 2HE2 GLN 538 -2.052 1.139 11.650 124 HA PRO 539 HA PRO 539 4.392 -0.429 9.586 125 HB2 PRO 539 1HB PRO 539 5.273 1.765 10.920 126 HB3 PRO 539 2HB PRO 539 4.222 1.861 9.502 127 HG2 PRO 539 1HG PRO 539 3.510 2.045 12.404 128 HG3 PRO 539 2HG PRO 539 2.930 3.025 11.045 129 HD2 PRO 539 1HD PRO 539 1.483 0.992 12.099 130 HD3 PRO 539 2HD PRO 539 1.408 1.425 10.379 131 H GLN 540 H GLN 540 5.962 -1.737 10.258 132 HA GLN 540 HA GLN 540 6.734 -1.683 13.095 133 HB2 GLN 540 1HB GLN 540 5.414 -3.787 11.938 134 HB3 GLN 540 2HB GLN 540 7.094 -4.267 11.749 135 HG2 GLN 540 1HG GLN 540 7.005 -5.042 13.819 136 HG3 GLN 540 2HG GLN 540 6.933 -3.367 14.364 137 HE21 GLN 540 1HE2 GLN 540 3.323 -3.459 14.678 138 HE22 GLN 540 2HE2 GLN 540 4.548 -2.478 13.958 139 H VAL 541 H VAL 541 7.700 -0.937 10.125 140 HA VAL 541 HA VAL 541 10.516 -1.341 10.791 141 HB VAL 541 HB VAL 541 9.494 -1.989 8.028 142 HG11 VAL 541 1HG1 VAL 541 12.150 -2.060 9.392 143 HG12 VAL 541 2HG1 VAL 541 11.813 -3.182 8.073 144 HG13 VAL 541 3HG1 VAL 541 11.722 -1.442 7.797 145 HG21 VAL 541 1HG2 VAL 541 9.832 -4.346 8.576 146 HG22 VAL 541 2HG2 VAL 541 10.225 -3.910 10.239 147 HG23 VAL 541 3HG2 VAL 541 8.601 -3.624 9.612 148 H ASP 542 H ASP 542 11.946 0.101 9.706 149 HA ASP 542 HA ASP 542 11.006 2.712 9.432 150 HB2 ASP 542 1HB ASP 542 13.410 1.866 9.831 151 HB3 ASP 542 2HB ASP 542 13.512 1.740 8.077 152 H GLY 543 H GLY 543 9.613 3.398 7.942 153 HA2 GLY 543 1HA GLY 543 9.384 4.170 5.652 154 HA3 GLY 543 2HA GLY 543 10.139 2.672 5.132 155 H GLU 544 H GLU 544 8.606 0.973 6.898 156 HA GLU 544 HA GLU 544 6.506 0.258 5.260 157 HB2 GLU 544 1HB GLU 544 7.278 -0.328 8.054 158 HB3 GLU 544 2HB GLU 544 5.598 -0.644 7.643 159 HG2 GLU 544 1HG GLU 544 6.646 -1.881 5.593 160 HG3 GLU 544 2HG GLU 544 8.076 -1.937 6.622 161 H ILE 545 H ILE 545 4.195 0.389 5.560 162 HA ILE 545 HA ILE 545 3.288 2.732 7.082 163 HB ILE 545 HB ILE 545 1.639 3.018 5.047 164 HG12 ILE 545 1HG1 ILE 545 4.103 1.860 3.725 165 HG13 ILE 545 2HG1 ILE 545 2.536 1.062 3.822 166 HG21 ILE 545 1HG2 ILE 545 2.983 4.802 4.255 167 HG22 ILE 545 2HG2 ILE 545 3.331 4.635 5.976 168 HG23 ILE 545 3HG2 ILE 545 4.467 4.008 4.781 169 HD11 ILE 545 1HD1 ILE 545 2.969 3.715 2.481 170 HD12 ILE 545 2HD1 ILE 545 3.033 2.164 1.643 171 HD13 ILE 545 3HD1 ILE 545 1.536 2.689 2.412 172 HA PRO 546 HA PRO 546 -0.068 0.240 8.417 173 HB2 PRO 546 1HB PRO 546 -2.086 2.050 8.567 174 HB3 PRO 546 2HB PRO 546 -0.736 2.018 9.709 175 HG2 PRO 546 1HG PRO 546 -1.151 3.770 7.317 176 HG3 PRO 546 2HG PRO 546 -0.556 4.202 8.930 177 HD2 PRO 546 1HD PRO 546 1.098 3.830 6.819 178 HD3 PRO 546 2HD PRO 546 1.575 3.445 8.485 179 H LEU 547 H LEU 547 -2.358 -0.386 7.902 180 HA LEU 547 HA LEU 547 -3.215 0.145 5.175 181 HB2 LEU 547 1HB LEU 547 -2.386 -2.565 6.174 182 HB3 LEU 547 2HB LEU 547 -3.481 -2.360 4.808 183 HG LEU 547 HG LEU 547 -0.739 -1.131 4.836 184 HD11 LEU 547 1HD1 LEU 547 0.186 -3.141 4.702 185 HD12 LEU 547 2HD1 LEU 547 -0.701 -3.401 3.202 186 HD13 LEU 547 3HD1 LEU 547 -1.393 -3.925 4.736 187 HD21 LEU 547 1HD2 LEU 547 -2.879 -0.824 3.149 188 HD22 LEU 547 2HD2 LEU 547 -1.926 -2.068 2.339 189 HD23 LEU 547 3HD2 LEU 547 -1.192 -0.513 2.736 190 H HIS 548 H HIS 548 -5.385 -0.545 4.744 191 HA HIS 548 HA HIS 548 -6.946 -1.492 7.020 192 HB2 HIS 548 1HB HIS 548 -6.790 1.178 6.673 193 HB3 HIS 548 2HB HIS 548 -8.133 0.819 5.593 194 HD1 HIS 548 1HD HIS 548 -10.355 0.142 6.655 195 HD2 HIS 548 2HD HIS 548 -7.303 0.711 9.416 196 HE1 HIS 548 1HE HIS 548 -11.478 0.160 8.906 197 H ARG 549 H ARG 549 -9.015 -2.320 6.451 198 HA ARG 549 HA ARG 549 -9.061 -3.570 3.887 199 HB2 ARG 549 1HB ARG 549 -11.205 -3.449 6.017 200 HB3 ARG 549 2HB ARG 549 -11.194 -4.535 4.634 201 HG2 ARG 549 1HG ARG 549 -8.942 -5.358 5.563 202 HG3 ARG 549 2HG ARG 549 -9.439 -4.557 7.055 203 HD2 ARG 549 1HD ARG 549 -10.036 -6.935 7.049 204 HD3 ARG 549 2HD ARG 549 -11.460 -5.899 7.131 205 HE ARG 549 HE ARG 549 -10.805 -6.644 4.451 206 HH11 ARG 549 1HH1 ARG 549 -12.373 -7.714 7.370 207 HH12 ARG 549 2HH1 ARG 549 -13.440 -8.806 6.552 208 HH21 ARG 549 1HH2 ARG 549 -12.205 -8.078 3.361 209 HH22 ARG 549 2HH2 ARG 549 -13.343 -9.013 4.271 210 H GLY 550 H GLY 550 -9.740 -2.684 2.056 211 HA2 GLY 550 1HA GLY 550 -11.485 -1.746 0.721 212 HA3 GLY 550 2HA GLY 550 -12.048 -0.868 2.134 213 H ASP 551 H ASP 551 -8.740 -0.663 2.047 214 HA ASP 551 HA ASP 551 -8.864 2.084 1.127 215 HB2 ASP 551 1HB ASP 551 -7.161 0.538 2.874 216 HB3 ASP 551 2HB ASP 551 -6.193 1.416 1.693 217 H ARG 552 H ARG 552 -7.847 2.923 -0.653 218 HA ARG 552 HA ARG 552 -7.131 0.992 -2.715 219 HB2 ARG 552 1HB ARG 552 -7.299 3.985 -3.033 220 HB3 ARG 552 2HB ARG 552 -7.412 2.754 -4.283 221 HG2 ARG 552 1HG ARG 552 -9.436 3.180 -2.094 222 HG3 ARG 552 2HG ARG 552 -9.580 3.782 -3.748 223 HD2 ARG 552 1HD ARG 552 -9.126 1.215 -4.292 224 HD3 ARG 552 2HD ARG 552 -9.845 1.023 -2.693 225 HE ARG 552 HE ARG 552 -11.428 2.743 -4.287 226 HH11 ARG 552 1HH1 ARG 552 -10.586 -0.610 -3.873 227 HH12 ARG 552 2HH1 ARG 552 -12.085 -1.200 -4.512 228 HH21 ARG 552 1HH2 ARG 552 -13.404 1.978 -5.131 229 HH22 ARG 552 2HH2 ARG 552 -13.686 0.272 -5.229 230 H VAL 553 H VAL 553 -5.075 0.306 -2.404 231 HA VAL 553 HA VAL 553 -2.972 2.228 -1.796 232 HB VAL 553 HB VAL 553 -2.851 -0.774 -2.116 233 HG11 VAL 553 1HG1 VAL 553 -0.775 1.202 -2.081 234 HG12 VAL 553 2HG1 VAL 553 -0.652 0.177 -0.650 235 HG13 VAL 553 3HG1 VAL 553 -0.646 -0.547 -2.259 236 HG21 VAL 553 1HG2 VAL 553 -3.277 1.043 0.195 237 HG22 VAL 553 2HG2 VAL 553 -3.955 -0.551 -0.130 238 HG23 VAL 553 3HG2 VAL 553 -2.296 -0.401 0.448 239 H LYS 554 H LYS 554 -1.549 2.998 -3.230 240 HA LYS 554 HA LYS 554 -1.728 2.014 -5.993 241 HB2 LYS 554 1HB LYS 554 -2.259 4.368 -5.753 242 HB3 LYS 554 2HB LYS 554 -0.753 4.655 -4.891 243 HG2 LYS 554 1HG LYS 554 0.529 4.492 -6.801 244 HG3 LYS 554 2HG LYS 554 -0.689 3.549 -7.663 245 HD2 LYS 554 1HD LYS 554 -1.964 5.414 -8.165 246 HD3 LYS 554 2HD LYS 554 -1.293 6.358 -6.834 247 HE2 LYS 554 1HE LYS 554 -0.513 7.106 -9.064 248 HE3 LYS 554 2HE LYS 554 0.798 6.605 -7.996 249 HZ1 LYS 554 1HZ LYS 554 1.061 4.602 -9.164 250 HZ2 LYS 554 2HZ LYS 554 0.907 5.787 -10.361 251 HZ3 LYS 554 3HZ LYS 554 -0.402 4.779 -9.994 252 H VAL 555 H VAL 555 -0.185 0.620 -6.523 253 HA VAL 555 HA VAL 555 2.321 0.506 -5.116 254 HB VAL 555 HB VAL 555 1.352 -1.018 -7.539 255 HG11 VAL 555 1HG1 VAL 555 3.806 -1.430 -5.834 256 HG12 VAL 555 2HG1 VAL 555 3.224 -2.553 -7.065 257 HG13 VAL 555 3HG1 VAL 555 3.771 -0.940 -7.527 258 HG21 VAL 555 1HG2 VAL 555 1.046 -2.864 -5.963 259 HG22 VAL 555 2HG2 VAL 555 1.553 -1.820 -4.635 260 HG23 VAL 555 3HG2 VAL 555 0.065 -1.468 -5.514 261 H LEU 556 H LEU 556 4.342 1.041 -5.858 262 HA LEU 556 HA LEU 556 4.464 2.486 -8.421 263 HB2 LEU 556 1HB LEU 556 6.128 3.173 -6.017 264 HB3 LEU 556 2HB LEU 556 5.904 4.111 -7.492 265 HG LEU 556 HG LEU 556 3.652 3.593 -5.566 266 HD11 LEU 556 1HD1 LEU 556 5.317 6.088 -5.585 267 HD12 LEU 556 2HD1 LEU 556 5.681 4.733 -4.516 268 HD13 LEU 556 3HD1 LEU 556 4.128 5.560 -4.395 269 HD21 LEU 556 1HD2 LEU 556 3.001 4.319 -7.783 270 HD22 LEU 556 2HD2 LEU 556 4.134 5.669 -7.701 271 HD23 LEU 556 3HD2 LEU 556 2.739 5.621 -6.623 272 H SER 557 H SER 557 6.183 0.529 -6.047 273 HA SER 557 HA SER 557 7.784 -0.635 -8.163 274 HB2 SER 557 1HB SER 557 9.389 0.971 -7.745 275 HB3 SER 557 2HB SER 557 8.917 1.156 -6.056 276 HG SER 557 HG SER 557 10.708 0.010 -5.843 277 H ILE 558 H ILE 558 8.786 -2.609 -7.561 278 HA ILE 558 HA ILE 558 7.312 -4.129 -5.683 279 HB ILE 558 HB ILE 558 9.912 -4.797 -7.066 280 HG12 ILE 558 1HG1 ILE 558 7.977 -4.338 -8.569 281 HG13 ILE 558 2HG1 ILE 558 8.546 -6.001 -8.663 282 HG21 ILE 558 1HG2 ILE 558 8.800 -7.181 -6.583 283 HG22 ILE 558 2HG2 ILE 558 9.930 -6.406 -5.475 284 HG23 ILE 558 3HG2 ILE 558 8.194 -6.294 -5.185 285 HD11 ILE 558 1HD1 ILE 558 6.476 -5.724 -6.680 286 HD12 ILE 558 2HD1 ILE 558 5.944 -5.141 -8.257 287 HD13 ILE 558 3HD1 ILE 558 6.560 -6.784 -8.086 288 H GLY 559 H GLY 559 7.868 -4.946 -3.681 289 HA2 GLY 559 1HA GLY 559 9.727 -3.343 -2.165 290 HA3 GLY 559 2HA GLY 559 8.698 -4.623 -1.540 291 H GLU 560 H GLU 560 9.638 -6.474 -0.970 292 HA GLU 560 HA GLU 560 11.756 -7.718 -2.320 293 HB2 GLU 560 1HB GLU 560 13.185 -5.960 -1.548 294 HB3 GLU 560 2HB GLU 560 12.542 -6.074 0.085 295 HG2 GLU 560 1HG GLU 560 13.666 -8.075 0.515 296 HG3 GLU 560 2HG GLU 560 13.972 -8.374 -1.196 297 H GLY 561 H GLY 561 10.778 -9.645 -1.994 298 HA2 GLY 561 1HA GLY 561 10.540 -11.639 -0.809 299 HA3 GLY 561 2HA GLY 561 10.947 -10.781 0.670 300 H GLY 562 H GLY 562 8.361 -10.523 -1.781 301 HA2 GLY 562 1HA GLY 562 6.072 -10.830 -1.498 302 HA3 GLY 562 2HA GLY 562 6.359 -11.193 0.199 303 H PHE 563 H PHE 563 7.997 -8.419 -0.383 304 HA PHE 563 HA PHE 563 5.878 -6.819 0.813 305 HB2 PHE 563 1HB PHE 563 8.785 -6.794 0.837 306 HB3 PHE 563 2HB PHE 563 8.123 -5.196 0.511 307 HD1 PHE 563 1HD PHE 563 6.354 -4.301 2.121 308 HD2 PHE 563 2HD PHE 563 8.870 -7.618 3.006 309 HE1 PHE 563 1HE PHE 563 5.908 -3.995 4.521 310 HE2 PHE 563 2HE PHE 563 8.428 -7.318 5.407 311 HZ PHE 563 HZ PHE 563 6.945 -5.506 6.167 312 H TRP 564 H TRP 564 6.003 -4.386 0.055 313 HA TRP 564 HA TRP 564 6.352 -4.097 -2.807 314 HB2 TRP 564 1HB TRP 564 3.826 -4.810 -1.786 315 HB3 TRP 564 2HB TRP 564 3.723 -3.095 -2.176 316 HD1 TRP 564 HD TRP 564 5.716 -3.293 -4.760 317 HE1 TRP 564 1HE TRP 564 4.764 -4.299 -6.930 318 HE3 TRP 564 3HE TRP 564 1.774 -5.885 -2.791 319 HZ2 TRP 564 2HZ TRP 564 2.625 -5.971 -7.704 320 HZ3 TRP 564 3HZ TRP 564 0.324 -7.162 -4.315 321 HH2 TRP 564 HH TRP 564 0.741 -7.202 -6.720 322 H GLU 565 H GLU 565 6.004 -1.852 -3.524 323 HA GLU 565 HA GLU 565 6.292 0.077 -1.318 324 HB2 GLU 565 1HB GLU 565 7.687 0.495 -3.935 325 HB3 GLU 565 2HB GLU 565 8.071 1.159 -2.353 326 HG2 GLU 565 1HG GLU 565 8.590 -1.299 -1.724 327 HG3 GLU 565 2HG GLU 565 8.686 -1.540 -3.467 328 H GLY 566 H GLY 566 4.699 1.511 -1.325 329 HA2 GLY 566 1HA GLY 566 3.939 2.938 -3.676 330 HA3 GLY 566 2HA GLY 566 2.717 1.757 -3.227 331 H SER 567 H SER 567 1.233 3.465 -2.851 332 HA SER 567 HA SER 567 1.711 4.871 -0.304 333 HB2 SER 567 1HB SER 567 -0.159 6.102 -2.253 334 HB3 SER 567 2HB SER 567 0.977 6.866 -1.140 335 HG SER 567 HG SER 567 1.872 5.416 -3.390 336 H ALA 568 H ALA 568 -0.119 5.218 1.028 337 HA ALA 568 HA ALA 568 -2.694 4.177 0.340 338 HB1 ALA 568 1HB ALA 568 -1.395 2.092 0.777 339 HB2 ALA 568 2HB ALA 568 -1.166 2.644 2.436 340 HB3 ALA 568 3HB ALA 568 -2.790 2.313 1.835 341 H ARG 569 H ARG 569 -4.167 5.283 1.454 342 HA ARG 569 HA ARG 569 -5.120 6.679 2.977 343 HB2 ARG 569 1HB ARG 569 -3.304 5.011 4.680 344 HB3 ARG 569 2HB ARG 569 -4.173 6.362 5.396 345 HG2 ARG 569 1HG ARG 569 -5.540 4.179 3.848 346 HG3 ARG 569 2HG ARG 569 -5.268 4.104 5.591 347 HD2 ARG 569 1HD ARG 569 -6.393 6.480 5.536 348 HD3 ARG 569 2HD ARG 569 -7.064 5.886 4.018 349 HE ARG 569 HE ARG 569 -7.460 3.954 6.017 350 HH11 ARG 569 1HH1 ARG 569 -8.555 7.128 5.097 351 HH12 ARG 569 2HH1 ARG 569 -10.117 6.942 5.824 352 HH21 ARG 569 1HH2 ARG 569 -9.513 3.697 6.977 353 HH22 ARG 569 2HH2 ARG 569 -10.660 4.990 6.894 354 H GLY 570 H GLY 570 -2.855 7.628 1.443 355 HA2 GLY 570 1HA GLY 570 -1.776 9.669 1.307 356 HA3 GLY 570 2HA GLY 570 -2.340 10.034 2.930 357 H HIS 571 H HIS 571 -0.710 7.047 2.546 358 HA HIS 571 HA HIS 571 1.767 8.236 3.610 359 HB2 HIS 571 1HB HIS 571 0.678 5.532 4.398 360 HB3 HIS 571 2HB HIS 571 2.033 6.395 5.120 361 HD1 HIS 571 1HD HIS 571 -1.303 5.591 5.852 362 HD2 HIS 571 2HD HIS 571 0.938 9.075 6.176 363 HE1 HIS 571 1HE HIS 571 -2.521 7.020 7.525 364 H ILE 572 H ILE 572 3.430 7.921 2.302 365 HA ILE 572 HA ILE 572 3.345 5.684 0.403 366 HB ILE 572 HB ILE 572 5.114 8.133 0.401 367 HG12 ILE 572 1HG1 ILE 572 3.244 7.772 -1.813 368 HG13 ILE 572 2HG1 ILE 572 2.430 7.943 -0.262 369 HG21 ILE 572 1HG2 ILE 572 5.121 5.648 -1.155 370 HG22 ILE 572 2HG2 ILE 572 5.192 7.122 -2.119 371 HG23 ILE 572 3HG2 ILE 572 6.409 6.819 -0.879 372 HD11 ILE 572 1HD1 ILE 572 3.325 9.982 -1.876 373 HD12 ILE 572 2HD1 ILE 572 2.853 10.119 -0.182 374 HD13 ILE 572 3HD1 ILE 572 4.548 9.888 -0.609 375 H GLY 573 H GLY 573 4.490 3.928 0.851 376 HA2 GLY 573 1HA GLY 573 7.208 3.981 1.616 377 HA3 GLY 573 2HA GLY 573 6.218 3.658 3.031 378 H TRP 574 H TRP 574 7.042 1.575 3.287 379 HA TRP 574 HA TRP 574 6.588 -0.332 1.117 380 HB2 TRP 574 1HB TRP 574 8.318 -0.251 3.523 381 HB3 TRP 574 2HB TRP 574 7.703 -1.835 3.056 382 HD1 TRP 574 HD TRP 574 8.533 -2.827 0.697 383 HE1 TRP 574 1HE TRP 574 10.594 -2.287 -0.747 384 HE3 TRP 574 3HE TRP 574 9.857 1.637 2.808 385 HZ2 TRP 574 2HZ TRP 574 12.526 -0.240 -0.963 386 HZ3 TRP 574 3HZ TRP 574 11.824 2.822 1.924 387 HH2 TRP 574 HH TRP 574 13.129 1.901 0.078 388 H PHE 575 H PHE 575 5.550 -2.389 1.573 389 HA PHE 575 HA PHE 575 4.032 -2.825 3.925 390 HB2 PHE 575 1HB PHE 575 1.783 -2.489 3.036 391 HB3 PHE 575 2HB PHE 575 2.687 -0.979 2.996 392 HD1 PHE 575 1HD PHE 575 1.479 -3.787 0.922 393 HD2 PHE 575 2HD PHE 575 3.063 0.163 0.975 394 HE1 PHE 575 1HE PHE 575 0.979 -3.557 -1.477 395 HE2 PHE 575 2HE PHE 575 2.564 0.400 -1.423 396 HZ PHE 575 HZ PHE 575 1.520 -1.462 -2.651 397 HA PRO 576 HA PRO 576 4.006 -6.892 2.271 398 HB2 PRO 576 1HB PRO 576 1.850 -7.947 3.538 399 HB3 PRO 576 2HB PRO 576 3.375 -7.603 4.362 400 HG2 PRO 576 1HG PRO 576 0.853 -5.991 4.294 401 HG3 PRO 576 2HG PRO 576 1.917 -6.347 5.667 402 HD2 PRO 576 1HD PRO 576 1.988 -3.986 4.343 403 HD3 PRO 576 2HD PRO 576 3.432 -4.712 5.080 404 H ALA 577 H ALA 577 3.256 -7.897 0.493 405 HA ALA 577 HA ALA 577 1.191 -6.682 -1.057 406 HB1 ALA 577 1HB ALA 577 1.656 -8.420 -2.692 407 HB2 ALA 577 2HB ALA 577 3.159 -7.722 -2.084 408 HB3 ALA 577 3HB ALA 577 2.621 -9.299 -1.505 409 H GLU 578 H GLU 578 1.369 -9.420 1.100 410 HA GLU 578 HA GLU 578 -0.967 -10.763 0.286 411 HB2 GLU 578 1HB GLU 578 -0.921 -11.718 2.619 412 HB3 GLU 578 2HB GLU 578 0.562 -11.921 1.696 413 HG2 GLU 578 1HG GLU 578 1.760 -10.745 3.153 414 HG3 GLU 578 2HG GLU 578 0.540 -9.478 3.271 415 H CYS 579 H CYS 579 -0.538 -7.787 1.865 416 HA CYS 579 HA CYS 579 -3.126 -7.817 3.183 417 HB2 CYS 579 1HB CYS 579 -0.766 -6.016 3.150 418 HB3 CYS 579 2HB CYS 579 -2.328 -5.263 3.445 419 HG CYS 579 HG CYS 579 -1.035 -7.832 5.301 420 H VAL 580 H VAL 580 -1.819 -6.975 0.151 421 HA VAL 580 HA VAL 580 -4.178 -5.331 -0.489 422 HB VAL 580 HB VAL 580 -2.808 -4.665 -2.533 423 HG11 VAL 580 1HG1 VAL 580 -1.875 -2.842 -1.418 424 HG12 VAL 580 2HG1 VAL 580 -3.187 -3.353 -0.353 425 HG13 VAL 580 3HG1 VAL 580 -1.519 -3.788 0.027 426 HG21 VAL 580 1HG2 VAL 580 -0.514 -5.684 -0.866 427 HG22 VAL 580 2HG2 VAL 580 -1.167 -6.537 -2.264 428 HG23 VAL 580 3HG2 VAL 580 -0.435 -4.945 -2.465 429 H GLU 581 H GLU 581 -5.250 -5.681 -2.497 430 HA GLU 581 HA GLU 581 -4.646 -8.149 -3.927 431 HB2 GLU 581 1HB GLU 581 -6.212 -8.789 -2.121 432 HB3 GLU 581 2HB GLU 581 -7.365 -7.607 -2.722 433 HG2 GLU 581 1HG GLU 581 -8.099 -9.657 -3.562 434 HG3 GLU 581 2HG GLU 581 -7.294 -8.872 -4.918 435 H GLU 582 H GLU 582 -5.354 -8.176 -6.043 436 HA GLU 582 HA GLU 582 -5.776 -5.661 -7.274 437 HB2 GLU 582 1HB GLU 582 -5.670 -8.493 -8.191 438 HB3 GLU 582 2HB GLU 582 -6.400 -7.310 -9.268 439 HG2 GLU 582 1HG GLU 582 -4.238 -5.953 -8.840 440 HG3 GLU 582 2HG GLU 582 -3.582 -7.498 -8.304 441 H VAL 583 H VAL 583 -7.586 -4.746 -8.175 442 HA VAL 583 HA VAL 583 -10.037 -5.067 -6.944 443 HB VAL 583 HB VAL 583 -11.010 -3.733 -8.724 444 HG11 VAL 583 1HG1 VAL 583 -10.014 -1.980 -7.798 445 HG12 VAL 583 2HG1 VAL 583 -8.718 -3.026 -7.215 446 HG13 VAL 583 3HG1 VAL 583 -8.584 -2.250 -8.793 447 HG21 VAL 583 1HG2 VAL 583 -10.123 -4.789 -10.673 448 HG22 VAL 583 2HG2 VAL 583 -9.597 -3.106 -10.694 449 HG23 VAL 583 3HG2 VAL 583 -8.470 -4.376 -10.215 450 H GLN 584 H GLN 584 -11.885 -6.202 -7.352 451 HA GLN 584 HA GLN 584 -11.734 -8.234 -9.479 452 HB2 GLN 584 1HB GLN 584 -12.885 -8.414 -6.699 453 HB3 GLN 584 2HB GLN 584 -13.267 -9.580 -7.958 454 HG2 GLN 584 1HG GLN 584 -11.017 -10.310 -8.088 455 HG3 GLN 584 2HG GLN 584 -10.459 -8.973 -7.084 456 HE21 GLN 584 1HE2 GLN 584 -12.001 -12.343 -5.431 457 HE22 GLN 584 2HE2 GLN 584 -12.072 -12.049 -7.132 458 H SER 585 H SER 585 -13.017 -7.578 -11.082 459 HA SER 585 HA SER 585 -14.865 -6.913 -12.231 460 HB2 SER 585 1HB SER 585 -15.842 -8.762 -10.712 461 HB3 SER 585 2HB SER 585 -16.522 -7.435 -9.770 462 HG SER 585 HG SER 585 -17.587 -6.735 -11.660 Start of MODEL 20 1 H1 MET 525 H MET 525 2.519 -7.115 -15.936 2 HA MET 525 HA MET 525 1.927 -7.961 -13.202 3 HB2 MET 525 1HB MET 525 2.859 -9.624 -14.754 4 HB3 MET 525 2HB MET 525 4.278 -8.612 -14.988 5 HG2 MET 525 1HG MET 525 5.063 -10.106 -13.454 6 HG3 MET 525 2HG MET 525 4.493 -8.816 -12.397 7 HE1 MET 525 1HE MET 525 5.114 -11.512 -11.226 8 HE2 MET 525 2HE MET 525 3.811 -12.691 -11.076 9 HE3 MET 525 3HE MET 525 4.667 -12.513 -12.608 10 H VAL 526 H VAL 526 4.149 -5.920 -15.020 11 HA VAL 526 HA VAL 526 6.005 -5.280 -13.083 12 HB VAL 526 HB VAL 526 6.100 -2.996 -14.232 13 HG11 VAL 526 1HG1 VAL 526 6.501 -5.631 -15.594 14 HG12 VAL 526 2HG1 VAL 526 6.870 -4.123 -16.433 15 HG13 VAL 526 3HG1 VAL 526 7.701 -4.523 -14.928 16 HG21 VAL 526 1HG2 VAL 526 4.401 -4.206 -16.362 17 HG22 VAL 526 2HG2 VAL 526 3.621 -3.388 -15.009 18 HG23 VAL 526 3HG2 VAL 526 4.758 -2.510 -16.031 19 HA PRO 527 HA PRO 527 3.994 -2.946 -9.956 20 HB2 PRO 527 1HB PRO 527 5.920 -1.148 -9.302 21 HB3 PRO 527 2HB PRO 527 6.021 -2.860 -8.877 22 HG2 PRO 527 1HG PRO 527 7.313 -1.392 -11.143 23 HG3 PRO 527 2HG PRO 527 8.004 -2.621 -10.067 24 HD2 PRO 527 1HD PRO 527 7.142 -3.194 -12.569 25 HD3 PRO 527 2HD PRO 527 7.048 -4.362 -11.236 26 H GLY 528 H GLY 528 2.302 -1.883 -10.979 27 HA2 GLY 528 1HA GLY 528 2.320 0.898 -11.030 28 HA3 GLY 528 2HA GLY 528 2.627 0.365 -12.676 29 H ARG 529 H ARG 529 0.592 -1.322 -10.356 30 HA ARG 529 HA ARG 529 -1.735 -0.673 -12.045 31 HB2 ARG 529 1HB ARG 529 -0.996 -3.226 -10.623 32 HB3 ARG 529 2HB ARG 529 -2.634 -2.903 -11.176 33 HG2 ARG 529 1HG ARG 529 -0.295 -2.757 -13.044 34 HG3 ARG 529 2HG ARG 529 -1.106 -4.283 -12.686 35 HD2 ARG 529 1HD ARG 529 -3.263 -3.140 -13.343 36 HD3 ARG 529 2HD ARG 529 -2.272 -1.816 -13.955 37 HE ARG 529 HE ARG 529 -2.724 -4.337 -15.206 38 HH11 ARG 529 1HH1 ARG 529 -0.385 -1.791 -14.801 39 HH12 ARG 529 2HH1 ARG 529 0.416 -2.110 -16.303 40 HH21 ARG 529 1HH2 ARG 529 -1.678 -4.766 -17.187 41 HH22 ARG 529 2HH2 ARG 529 -0.321 -3.803 -17.661 42 H LEU 530 H LEU 530 -3.843 -1.263 -10.717 43 HA LEU 530 HA LEU 530 -3.677 0.336 -8.270 44 HB2 LEU 530 1HB LEU 530 -5.829 -0.305 -10.225 45 HB3 LEU 530 2HB LEU 530 -6.287 0.090 -8.569 46 HG LEU 530 HG LEU 530 -6.446 2.048 -9.987 47 HD11 LEU 530 1HD1 LEU 530 -5.459 2.049 -7.560 48 HD12 LEU 530 2HD1 LEU 530 -5.471 3.522 -8.529 49 HD13 LEU 530 3HD1 LEU 530 -3.991 2.573 -8.384 50 HD21 LEU 530 1HD2 LEU 530 -4.259 1.019 -11.294 51 HD22 LEU 530 2HD2 LEU 530 -3.587 2.400 -10.427 52 HD23 LEU 530 3HD2 LEU 530 -4.942 2.627 -11.533 53 H PHE 531 H PHE 531 -3.873 -0.544 -6.319 54 HA PHE 531 HA PHE 531 -5.055 -3.233 -6.105 55 HB2 PHE 531 1HB PHE 531 -2.558 -2.142 -4.820 56 HB3 PHE 531 2HB PHE 531 -3.409 -3.534 -4.158 57 HD1 PHE 531 1HD PHE 531 -1.606 -2.265 -7.118 58 HD2 PHE 531 2HD PHE 531 -3.185 -5.674 -5.117 59 HE1 PHE 531 1HE PHE 531 -0.407 -3.735 -8.685 60 HE2 PHE 531 2HE PHE 531 -1.987 -7.150 -6.680 61 HZ PHE 531 HZ PHE 531 -0.596 -6.181 -8.466 62 H VAL 532 H VAL 532 -5.987 -3.746 -4.019 63 HA VAL 532 HA VAL 532 -6.744 -1.377 -2.442 64 HB VAL 532 HB VAL 532 -8.648 -1.877 -3.828 65 HG11 VAL 532 1HG1 VAL 532 -9.687 -4.012 -3.978 66 HG12 VAL 532 2HG1 VAL 532 -7.965 -4.255 -4.273 67 HG13 VAL 532 3HG1 VAL 532 -8.659 -4.672 -2.707 68 HG21 VAL 532 1HG2 VAL 532 -8.681 -1.879 -1.027 69 HG22 VAL 532 2HG2 VAL 532 -10.007 -1.468 -2.116 70 HG23 VAL 532 3HG2 VAL 532 -9.832 -3.120 -1.523 71 H ALA 533 H ALA 533 -6.158 -1.611 -0.396 72 HA ALA 533 HA ALA 533 -5.127 -3.969 0.705 73 HB1 ALA 533 1HB ALA 533 -5.441 -2.734 2.912 74 HB2 ALA 533 2HB ALA 533 -4.431 -1.958 1.691 75 HB3 ALA 533 3HB ALA 533 -6.087 -1.409 1.944 76 H ILE 534 H ILE 534 -6.053 -5.705 1.578 77 HA ILE 534 HA ILE 534 -8.920 -5.558 2.251 78 HB ILE 534 HB ILE 534 -9.011 -7.995 1.781 79 HG12 ILE 534 1HG1 ILE 534 -6.407 -7.760 0.322 80 HG13 ILE 534 2HG1 ILE 534 -6.393 -8.107 2.048 81 HG21 ILE 534 1HG2 ILE 534 -8.628 -7.694 -0.769 82 HG22 ILE 534 2HG2 ILE 534 -9.862 -6.731 0.042 83 HG23 ILE 534 3HG2 ILE 534 -8.297 -6.016 -0.342 84 HD11 ILE 534 1HD1 ILE 534 -7.290 -10.185 1.777 85 HD12 ILE 534 2HD1 ILE 534 -8.126 -9.751 0.285 86 HD13 ILE 534 3HD1 ILE 534 -6.385 -10.029 0.271 87 H LYS 535 H LYS 535 -5.916 -5.763 3.580 88 HA LYS 535 HA LYS 535 -6.994 -6.946 6.032 89 HB2 LYS 535 1HB LYS 535 -4.326 -7.691 4.820 90 HB3 LYS 535 2HB LYS 535 -4.908 -8.209 6.397 91 HG2 LYS 535 1HG LYS 535 -6.491 -8.803 3.932 92 HG3 LYS 535 2HG LYS 535 -5.113 -9.809 4.382 93 HD2 LYS 535 1HD LYS 535 -6.116 -10.377 6.473 94 HD3 LYS 535 2HD LYS 535 -7.395 -9.182 6.248 95 HE2 LYS 535 1HE LYS 535 -8.330 -11.315 5.761 96 HE3 LYS 535 2HE LYS 535 -8.116 -10.477 4.224 97 HZ1 LYS 535 1HZ LYS 535 -6.185 -11.761 3.763 98 HZ2 LYS 535 2HZ LYS 535 -7.405 -12.841 4.215 99 HZ3 LYS 535 3HZ LYS 535 -6.179 -12.445 5.310 100 HA PRO 536 HA PRO 536 -5.169 -3.260 7.680 101 HB2 PRO 536 1HB PRO 536 -5.564 -3.844 10.302 102 HB3 PRO 536 2HB PRO 536 -6.865 -3.309 9.230 103 HG2 PRO 536 1HG PRO 536 -6.155 -6.081 10.112 104 HG3 PRO 536 2HG PRO 536 -7.754 -5.326 9.972 105 HD2 PRO 536 1HD PRO 536 -6.769 -7.011 8.095 106 HD3 PRO 536 2HD PRO 536 -7.853 -5.663 7.694 107 H TYR 537 H TYR 537 -3.193 -2.657 8.429 108 HA TYR 537 HA TYR 537 -1.522 -4.516 9.893 109 HB2 TYR 537 1HB TYR 537 -1.291 -4.859 7.299 110 HB3 TYR 537 2HB TYR 537 -0.318 -3.394 7.391 111 HD1 TYR 537 1HD TYR 537 1.782 -3.382 8.695 112 HD2 TYR 537 2HD TYR 537 -0.467 -6.948 8.123 113 HE1 TYR 537 1HE TYR 537 3.736 -4.716 9.372 114 HE2 TYR 537 2HE TYR 537 1.479 -8.292 8.800 115 HH TYR 537 HH TYR 537 4.337 -6.840 10.143 116 H GLN 538 H GLN 538 0.362 -3.526 10.795 117 HA GLN 538 HA GLN 538 0.255 -0.581 10.786 118 HB2 GLN 538 1HB GLN 538 0.740 -2.503 13.052 119 HB3 GLN 538 2HB GLN 538 1.219 -0.814 13.148 120 HG2 GLN 538 1HG GLN 538 -1.560 -1.914 12.834 121 HG3 GLN 538 2HG GLN 538 -0.891 -1.048 14.217 122 HE21 GLN 538 1HE2 GLN 538 -1.008 2.136 12.587 123 HE22 GLN 538 2HE2 GLN 538 -0.002 1.176 13.613 124 HA PRO 539 HA PRO 539 4.488 -0.467 9.641 125 HB2 PRO 539 1HB PRO 539 5.357 1.726 10.986 126 HB3 PRO 539 2HB PRO 539 4.294 1.821 9.578 127 HG2 PRO 539 1HG PRO 539 3.605 1.975 12.487 128 HG3 PRO 539 2HG PRO 539 3.002 2.959 11.141 129 HD2 PRO 539 1HD PRO 539 1.586 0.903 12.191 130 HD3 PRO 539 2HD PRO 539 1.492 1.349 10.475 131 H GLN 540 H GLN 540 6.117 -1.720 10.282 132 HA GLN 540 HA GLN 540 6.911 -1.683 13.111 133 HB2 GLN 540 1HB GLN 540 6.615 -4.149 11.388 134 HB3 GLN 540 2HB GLN 540 7.294 -4.124 13.010 135 HG2 GLN 540 1HG GLN 540 4.492 -3.250 12.360 136 HG3 GLN 540 2HG GLN 540 4.923 -4.885 12.862 137 HE21 GLN 540 1HE2 GLN 540 3.807 -3.001 15.829 138 HE22 GLN 540 2HE2 GLN 540 3.122 -3.450 14.307 139 H VAL 541 H VAL 541 7.828 -0.925 10.135 140 HA VAL 541 HA VAL 541 10.654 -1.328 10.750 141 HB VAL 541 HB VAL 541 9.584 -1.991 8.010 142 HG11 VAL 541 1HG1 VAL 541 11.760 -1.599 7.574 143 HG12 VAL 541 2HG1 VAL 541 12.247 -1.816 9.257 144 HG13 VAL 541 3HG1 VAL 541 11.973 -3.223 8.228 145 HG21 VAL 541 1HG2 VAL 541 8.715 -3.654 9.512 146 HG22 VAL 541 2HG2 VAL 541 10.051 -4.359 8.603 147 HG23 VAL 541 3HG2 VAL 541 10.292 -3.852 10.274 148 H ASP 542 H ASP 542 12.062 0.116 9.640 149 HA ASP 542 HA ASP 542 11.107 2.723 9.370 150 HB2 ASP 542 1HB ASP 542 13.436 2.329 9.840 151 HB3 ASP 542 2HB ASP 542 13.643 1.452 8.327 152 H GLY 543 H GLY 543 9.693 3.401 7.897 153 HA2 GLY 543 1HA GLY 543 9.434 4.161 5.607 154 HA3 GLY 543 2HA GLY 543 10.182 2.660 5.083 155 H GLU 544 H GLU 544 8.672 0.972 6.883 156 HA GLU 544 HA GLU 544 6.552 0.247 5.278 157 HB2 GLU 544 1HB GLU 544 7.354 -0.318 8.069 158 HB3 GLU 544 2HB GLU 544 5.673 -0.644 7.673 159 HG2 GLU 544 1HG GLU 544 6.592 -1.953 5.677 160 HG3 GLU 544 2HG GLU 544 8.143 -1.872 6.509 161 H ILE 545 H ILE 545 4.245 0.384 5.599 162 HA ILE 545 HA ILE 545 3.349 2.718 7.139 163 HB ILE 545 HB ILE 545 1.710 3.056 5.113 164 HG12 ILE 545 1HG1 ILE 545 4.145 1.870 3.763 165 HG13 ILE 545 2HG1 ILE 545 2.565 1.099 3.859 166 HG21 ILE 545 1HG2 ILE 545 4.567 3.991 4.916 167 HG22 ILE 545 2HG2 ILE 545 3.133 4.796 4.284 168 HG23 ILE 545 3HG2 ILE 545 3.374 4.668 6.025 169 HD11 ILE 545 1HD1 ILE 545 3.007 3.771 2.563 170 HD12 ILE 545 2HD1 ILE 545 3.100 2.240 1.692 171 HD13 ILE 545 3HD1 ILE 545 1.588 2.730 2.457 172 HA PRO 546 HA PRO 546 -0.026 0.224 8.422 173 HB2 PRO 546 1HB PRO 546 -2.041 2.037 8.577 174 HB3 PRO 546 2HB PRO 546 -0.700 1.989 9.729 175 HG2 PRO 546 1HG PRO 546 -1.094 3.768 7.352 176 HG3 PRO 546 2HG PRO 546 -0.509 4.181 8.975 177 HD2 PRO 546 1HD PRO 546 1.159 3.828 6.870 178 HD3 PRO 546 2HD PRO 546 1.623 3.423 8.536 179 H LEU 547 H LEU 547 -2.312 -0.395 7.884 180 HA LEU 547 HA LEU 547 -3.150 0.169 5.158 181 HB2 LEU 547 1HB LEU 547 -2.301 -2.541 6.130 182 HB3 LEU 547 2HB LEU 547 -3.428 -2.347 4.789 183 HG LEU 547 HG LEU 547 -0.701 -1.087 4.759 184 HD11 LEU 547 1HD1 LEU 547 -1.317 -3.887 4.681 185 HD12 LEU 547 2HD1 LEU 547 0.249 -3.084 4.595 186 HD13 LEU 547 3HD1 LEU 547 -0.682 -3.361 3.123 187 HD21 LEU 547 1HD2 LEU 547 -2.876 -0.798 3.120 188 HD22 LEU 547 2HD2 LEU 547 -1.937 -2.039 2.290 189 HD23 LEU 547 3HD2 LEU 547 -1.202 -0.480 2.665 190 H HIS 548 H HIS 548 -5.322 -0.475 4.712 191 HA HIS 548 HA HIS 548 -6.901 -1.481 6.947 192 HB2 HIS 548 1HB HIS 548 -6.710 1.209 6.671 193 HB3 HIS 548 2HB HIS 548 -8.086 0.881 5.623 194 HD1 HIS 548 1HD HIS 548 -7.205 -0.655 8.991 195 HD2 HIS 548 2HD HIS 548 -10.227 1.523 7.151 196 HE1 HIS 548 1HE HIS 548 -9.041 -0.474 10.700 197 H ARG 549 H ARG 549 -8.922 -2.341 6.344 198 HA ARG 549 HA ARG 549 -8.992 -3.446 3.724 199 HB2 ARG 549 1HB ARG 549 -11.225 -3.419 5.757 200 HB3 ARG 549 2HB ARG 549 -11.016 -4.545 4.422 201 HG2 ARG 549 1HG ARG 549 -9.002 -5.431 5.481 202 HG3 ARG 549 2HG ARG 549 -9.210 -4.299 6.819 203 HD2 ARG 549 1HD ARG 549 -10.106 -6.336 7.579 204 HD3 ARG 549 2HD ARG 549 -11.498 -5.343 7.151 205 HE ARG 549 HE ARG 549 -10.554 -7.726 5.767 206 HH11 ARG 549 1HH1 ARG 549 -12.730 -5.010 5.848 207 HH12 ARG 549 2HH1 ARG 549 -13.837 -5.697 4.708 208 HH21 ARG 549 1HH2 ARG 549 -12.004 -8.641 4.264 209 HH22 ARG 549 2HH2 ARG 549 -13.425 -7.763 3.808 210 H GLY 550 H GLY 550 -9.642 -2.444 1.944 211 HA2 GLY 550 1HA GLY 550 -11.431 -1.467 0.672 212 HA3 GLY 550 2HA GLY 550 -11.946 -0.620 2.123 213 H ASP 551 H ASP 551 -8.638 -0.474 1.970 214 HA ASP 551 HA ASP 551 -8.736 2.295 1.092 215 HB2 ASP 551 1HB ASP 551 -7.071 0.728 2.854 216 HB3 ASP 551 2HB ASP 551 -6.078 1.595 1.685 217 H ARG 552 H ARG 552 -8.013 3.039 -0.805 218 HA ARG 552 HA ARG 552 -7.213 1.148 -2.827 219 HB2 ARG 552 1HB ARG 552 -7.415 4.160 -3.004 220 HB3 ARG 552 2HB ARG 552 -7.306 3.039 -4.355 221 HG2 ARG 552 1HG ARG 552 -9.584 3.284 -2.401 222 HG3 ARG 552 2HG ARG 552 -9.578 3.787 -4.093 223 HD2 ARG 552 1HD ARG 552 -8.829 1.178 -4.295 224 HD3 ARG 552 2HD ARG 552 -9.922 1.123 -2.912 225 HE ARG 552 HE ARG 552 -11.677 1.527 -4.327 226 HH11 ARG 552 1HH1 ARG 552 -8.695 2.261 -5.965 227 HH12 ARG 552 2HH1 ARG 552 -9.447 2.491 -7.509 228 HH21 ARG 552 1HH2 ARG 552 -12.680 1.828 -6.354 229 HH22 ARG 552 2HH2 ARG 552 -11.714 2.247 -7.728 230 H VAL 553 H VAL 553 -5.181 0.390 -2.523 231 HA VAL 553 HA VAL 553 -3.012 2.220 -1.883 232 HB VAL 553 HB VAL 553 -3.029 -0.773 -2.284 233 HG11 VAL 553 1HG1 VAL 553 -0.723 -0.087 -0.918 234 HG12 VAL 553 2HG1 VAL 553 -0.830 -0.584 -2.608 235 HG13 VAL 553 3HG1 VAL 553 -0.841 1.130 -2.189 236 HG21 VAL 553 1HG2 VAL 553 -3.866 0.774 -0.125 237 HG22 VAL 553 2HG2 VAL 553 -3.520 -0.955 -0.120 238 HG23 VAL 553 3HG2 VAL 553 -2.262 0.197 0.326 239 H LYS 554 H LYS 554 -1.525 2.954 -3.283 240 HA LYS 554 HA LYS 554 -1.735 2.050 -6.077 241 HB2 LYS 554 1HB LYS 554 -2.187 4.510 -5.367 242 HB3 LYS 554 2HB LYS 554 -0.438 4.623 -5.235 243 HG2 LYS 554 1HG LYS 554 -1.499 3.483 -7.743 244 HG3 LYS 554 2HG LYS 554 -1.783 5.203 -7.468 245 HD2 LYS 554 1HD LYS 554 0.783 5.157 -6.827 246 HD3 LYS 554 2HD LYS 554 0.774 3.731 -7.867 247 HE2 LYS 554 1HE LYS 554 -0.603 5.426 -9.422 248 HE3 LYS 554 2HE LYS 554 0.390 6.586 -8.541 249 HZ1 LYS 554 1HZ LYS 554 1.889 4.331 -9.471 250 HZ2 LYS 554 2HZ LYS 554 2.191 5.982 -9.672 251 HZ3 LYS 554 3HZ LYS 554 1.155 5.177 -10.738 252 H VAL 555 H VAL 555 -0.193 0.626 -6.551 253 HA VAL 555 HA VAL 555 2.296 0.496 -5.152 254 HB VAL 555 HB VAL 555 1.433 -0.903 -7.688 255 HG11 VAL 555 1HG1 VAL 555 3.862 -0.827 -7.465 256 HG12 VAL 555 2HG1 VAL 555 3.740 -1.485 -5.832 257 HG13 VAL 555 3HG1 VAL 555 3.255 -2.464 -7.217 258 HG21 VAL 555 1HG2 VAL 555 1.023 -2.824 -6.213 259 HG22 VAL 555 2HG2 VAL 555 1.409 -1.822 -4.814 260 HG23 VAL 555 3HG2 VAL 555 -0.002 -1.448 -5.803 261 H LEU 556 H LEU 556 4.349 1.011 -5.865 262 HA LEU 556 HA LEU 556 4.527 2.566 -8.357 263 HB2 LEU 556 1HB LEU 556 6.092 3.248 -5.889 264 HB3 LEU 556 2HB LEU 556 5.860 4.218 -7.342 265 HG LEU 556 HG LEU 556 3.600 3.563 -5.468 266 HD11 LEU 556 1HD1 LEU 556 5.518 5.883 -5.374 267 HD12 LEU 556 2HD1 LEU 556 5.214 4.688 -4.114 268 HD13 LEU 556 3HD1 LEU 556 3.960 5.850 -4.546 269 HD21 LEU 556 1HD2 LEU 556 4.037 5.609 -7.634 270 HD22 LEU 556 2HD2 LEU 556 2.692 5.665 -6.495 271 HD23 LEU 556 3HD2 LEU 556 2.854 4.302 -7.604 272 H SER 557 H SER 557 6.202 0.617 -5.942 273 HA SER 557 HA SER 557 7.941 -0.434 -8.019 274 HB2 SER 557 1HB SER 557 9.062 1.607 -6.938 275 HB3 SER 557 2HB SER 557 9.206 0.611 -5.489 276 HG SER 557 HG SER 557 10.122 -0.302 -7.998 277 H ILE 558 H ILE 558 8.774 -2.469 -7.557 278 HA ILE 558 HA ILE 558 7.269 -4.048 -5.755 279 HB ILE 558 HB ILE 558 9.838 -4.725 -7.192 280 HG12 ILE 558 1HG1 ILE 558 7.885 -4.080 -8.632 281 HG13 ILE 558 2HG1 ILE 558 8.455 -5.726 -8.883 282 HG21 ILE 558 1HG2 ILE 558 9.788 -6.434 -5.709 283 HG22 ILE 558 2HG2 ILE 558 8.060 -6.266 -5.407 284 HG23 ILE 558 3HG2 ILE 558 8.624 -7.088 -6.862 285 HD11 ILE 558 1HD1 ILE 558 6.501 -6.600 -8.279 286 HD12 ILE 558 2HD1 ILE 558 6.354 -5.535 -6.880 287 HD13 ILE 558 3HD1 ILE 558 5.860 -4.969 -8.475 288 H GLY 559 H GLY 559 7.820 -5.012 -3.815 289 HA2 GLY 559 1HA GLY 559 9.877 -3.610 -2.299 290 HA3 GLY 559 2HA GLY 559 8.650 -4.685 -1.646 291 H GLU 560 H GLU 560 10.110 -5.865 -0.412 292 HA GLU 560 HA GLU 560 11.765 -7.723 -1.969 293 HB2 GLU 560 1HB GLU 560 12.632 -6.255 0.527 294 HB3 GLU 560 2HB GLU 560 13.514 -7.594 -0.195 295 HG2 GLU 560 1HG GLU 560 13.726 -6.250 -2.276 296 HG3 GLU 560 2HG GLU 560 12.997 -4.895 -1.415 297 H GLY 561 H GLY 561 11.169 -9.740 -1.556 298 HA2 GLY 561 1HA GLY 561 10.580 -11.626 -0.365 299 HA3 GLY 561 2HA GLY 561 10.795 -10.702 1.114 300 H GLY 562 H GLY 562 8.576 -10.582 -1.684 301 HA2 GLY 562 1HA GLY 562 6.272 -10.708 -1.746 302 HA3 GLY 562 2HA GLY 562 6.299 -11.198 -0.059 303 H PHE 563 H PHE 563 8.037 -8.360 -0.514 304 HA PHE 563 HA PHE 563 5.897 -6.818 0.724 305 HB2 PHE 563 1HB PHE 563 8.806 -6.745 0.736 306 HB3 PHE 563 2HB PHE 563 8.109 -5.151 0.467 307 HD1 PHE 563 1HD PHE 563 6.369 -4.320 2.122 308 HD2 PHE 563 2HD PHE 563 8.887 -7.670 2.871 309 HE1 PHE 563 1HE PHE 563 5.933 -4.103 4.533 310 HE2 PHE 563 2HE PHE 563 8.453 -7.459 5.283 311 HZ PHE 563 HZ PHE 563 6.974 -5.675 6.118 312 H TRP 564 H TRP 564 5.985 -4.369 0.019 313 HA TRP 564 HA TRP 564 6.331 -4.011 -2.835 314 HB2 TRP 564 1HB TRP 564 3.815 -4.781 -1.831 315 HB3 TRP 564 2HB TRP 564 3.690 -3.060 -2.186 316 HD1 TRP 564 HD TRP 564 5.675 -3.165 -4.775 317 HE1 TRP 564 1HE TRP 564 4.743 -4.147 -6.964 318 HE3 TRP 564 3HE TRP 564 1.794 -5.885 -2.856 319 HZ2 TRP 564 2HZ TRP 564 2.640 -5.849 -7.771 320 HZ3 TRP 564 3HZ TRP 564 0.371 -7.162 -4.404 321 HH2 TRP 564 HH TRP 564 0.786 -7.143 -6.810 322 H GLU 565 H GLU 565 5.937 -1.754 -3.503 323 HA GLU 565 HA GLU 565 6.185 0.132 -1.255 324 HB2 GLU 565 1HB GLU 565 7.626 0.568 -3.852 325 HB3 GLU 565 2HB GLU 565 7.945 1.285 -2.279 326 HG2 GLU 565 1HG GLU 565 8.548 -1.100 -1.545 327 HG3 GLU 565 2HG GLU 565 8.633 -1.451 -3.270 328 H GLY 566 H GLY 566 4.543 1.508 -1.257 329 HA2 GLY 566 1HA GLY 566 3.821 3.021 -3.558 330 HA3 GLY 566 2HA GLY 566 2.623 1.779 -3.229 331 H SER 567 H SER 567 1.181 3.636 -2.947 332 HA SER 567 HA SER 567 1.501 4.915 -0.313 333 HB2 SER 567 1HB SER 567 0.549 6.839 -1.124 334 HB3 SER 567 2HB SER 567 1.243 6.229 -2.626 335 HG SER 567 HG SER 567 -1.429 6.245 -1.769 336 H ALA 568 H ALA 568 -0.273 5.025 1.090 337 HA ALA 568 HA ALA 568 -2.787 3.810 0.420 338 HB1 ALA 568 1HB ALA 568 -0.990 1.954 1.009 339 HB2 ALA 568 2HB ALA 568 -1.448 2.390 2.656 340 HB3 ALA 568 3HB ALA 568 -2.672 1.820 1.522 341 H ARG 569 H ARG 569 -4.271 4.933 1.483 342 HA ARG 569 HA ARG 569 -5.324 6.190 3.059 343 HB2 ARG 569 1HB ARG 569 -4.595 4.196 4.483 344 HB3 ARG 569 2HB ARG 569 -3.280 5.218 5.047 345 HG2 ARG 569 1HG ARG 569 -4.752 5.697 6.682 346 HG3 ARG 569 2HG ARG 569 -5.338 6.869 5.498 347 HD2 ARG 569 1HD ARG 569 -6.428 4.085 5.529 348 HD3 ARG 569 2HD ARG 569 -7.020 5.278 6.683 349 HE ARG 569 HE ARG 569 -7.675 5.113 3.928 350 HH11 ARG 569 1HH1 ARG 569 -7.088 7.388 6.496 351 HH12 ARG 569 2HH1 ARG 569 -8.081 8.627 5.802 352 HH21 ARG 569 1HH2 ARG 569 -8.986 6.736 3.004 353 HH22 ARG 569 2HH2 ARG 569 -9.161 8.254 3.816 354 H GLY 570 H GLY 570 -2.949 7.182 1.554 355 HA2 GLY 570 1HA GLY 570 -2.092 9.345 1.397 356 HA3 GLY 570 2HA GLY 570 -2.653 9.658 3.032 357 H HIS 571 H HIS 571 -0.842 6.784 2.591 358 HA HIS 571 HA HIS 571 1.590 8.121 3.577 359 HB2 HIS 571 1HB HIS 571 0.574 5.431 4.516 360 HB3 HIS 571 2HB HIS 571 1.993 6.288 5.109 361 HD1 HIS 571 1HD HIS 571 -1.076 5.469 6.354 362 HD2 HIS 571 2HD HIS 571 0.808 9.142 5.892 363 HE1 HIS 571 1HE HIS 571 -2.199 7.011 7.993 364 H ILE 572 H ILE 572 3.278 7.780 2.304 365 HA ILE 572 HA ILE 572 3.212 5.512 0.443 366 HB ILE 572 HB ILE 572 5.081 7.877 0.353 367 HG12 ILE 572 1HG1 ILE 572 3.313 8.257 -1.696 368 HG13 ILE 572 2HG1 ILE 572 2.258 7.617 -0.442 369 HG21 ILE 572 1HG2 ILE 572 4.485 6.709 -2.178 370 HG22 ILE 572 2HG2 ILE 572 6.035 6.821 -1.347 371 HG23 ILE 572 3HG2 ILE 572 4.979 5.437 -1.062 372 HD11 ILE 572 1HD1 ILE 572 2.374 9.490 0.775 373 HD12 ILE 572 2HD1 ILE 572 4.093 9.717 0.452 374 HD13 ILE 572 3HD1 ILE 572 2.897 10.224 -0.740 375 H GLY 573 H GLY 573 4.429 3.793 0.847 376 HA2 GLY 573 1HA GLY 573 7.132 3.900 1.627 377 HA3 GLY 573 2HA GLY 573 6.150 3.567 3.047 378 H TRP 574 H TRP 574 7.002 1.502 3.322 379 HA TRP 574 HA TRP 574 6.591 -0.428 1.164 380 HB2 TRP 574 1HB TRP 574 8.320 -0.290 3.565 381 HB3 TRP 574 2HB TRP 574 7.726 -1.890 3.132 382 HD1 TRP 574 HD TRP 574 8.515 -2.881 0.738 383 HE1 TRP 574 1HE TRP 574 10.581 -2.357 -0.705 384 HE3 TRP 574 3HE TRP 574 9.898 1.551 2.879 385 HZ2 TRP 574 2HZ TRP 574 12.539 -0.333 -0.907 386 HZ3 TRP 574 3HZ TRP 574 11.879 2.717 2.002 387 HH2 TRP 574 HH TRP 574 13.171 1.792 0.149 388 H PHE 575 H PHE 575 5.524 -2.450 1.567 389 HA PHE 575 HA PHE 575 4.043 -2.941 3.936 390 HB2 PHE 575 1HB PHE 575 1.787 -2.587 3.092 391 HB3 PHE 575 2HB PHE 575 2.690 -1.077 3.033 392 HD1 PHE 575 1HD PHE 575 3.051 0.053 0.998 393 HD2 PHE 575 2HD PHE 575 1.414 -3.875 0.993 394 HE1 PHE 575 1HE PHE 575 2.504 0.288 -1.389 395 HE2 PHE 575 2HE PHE 575 0.865 -3.648 -1.394 396 HZ PHE 575 HZ PHE 575 1.411 -1.565 -2.589 397 HA PRO 576 HA PRO 576 4.013 -6.978 2.213 398 HB2 PRO 576 1HB PRO 576 1.870 -8.062 3.478 399 HB3 PRO 576 2HB PRO 576 3.400 -7.728 4.296 400 HG2 PRO 576 1HG PRO 576 0.873 -6.123 4.275 401 HG3 PRO 576 2HG PRO 576 1.948 -6.499 5.634 402 HD2 PRO 576 1HD PRO 576 2.003 -4.116 4.350 403 HD3 PRO 576 2HD PRO 576 3.454 -4.850 5.063 404 H ALA 577 H ALA 577 3.285 -7.897 0.388 405 HA ALA 577 HA ALA 577 1.212 -6.679 -1.123 406 HB1 ALA 577 1HB ALA 577 2.564 -9.329 -1.614 407 HB2 ALA 577 2HB ALA 577 1.668 -8.366 -2.789 408 HB3 ALA 577 3HB ALA 577 3.188 -7.762 -2.132 409 H GLU 578 H GLU 578 1.347 -9.406 1.039 410 HA GLU 578 HA GLU 578 -1.002 -10.726 0.213 411 HB2 GLU 578 1HB GLU 578 -0.965 -11.704 2.529 412 HB3 GLU 578 2HB GLU 578 0.525 -11.899 1.618 413 HG2 GLU 578 1HG GLU 578 1.669 -10.348 2.907 414 HG3 GLU 578 2HG GLU 578 0.186 -9.605 3.503 415 H CYS 579 H CYS 579 -0.541 -7.753 1.774 416 HA CYS 579 HA CYS 579 -3.125 -7.757 3.105 417 HB2 CYS 579 1HB CYS 579 -0.730 -6.019 3.103 418 HB3 CYS 579 2HB CYS 579 -2.270 -5.203 3.343 419 HG CYS 579 HG CYS 579 -0.617 -6.122 5.708 420 H VAL 580 H VAL 580 -1.850 -6.994 0.059 421 HA VAL 580 HA VAL 580 -4.164 -5.281 -0.568 422 HB VAL 580 HB VAL 580 -2.793 -4.667 -2.631 423 HG11 VAL 580 1HG1 VAL 580 -3.133 -3.322 -0.467 424 HG12 VAL 580 2HG1 VAL 580 -1.475 -3.789 -0.085 425 HG13 VAL 580 3HG1 VAL 580 -1.816 -2.853 -1.540 426 HG21 VAL 580 1HG2 VAL 580 -0.355 -4.913 -2.400 427 HG22 VAL 580 2HG2 VAL 580 -0.605 -5.899 -0.960 428 HG23 VAL 580 3HG2 VAL 580 -1.173 -6.471 -2.528 429 H GLU 581 H GLU 581 -5.451 -5.749 -2.327 430 HA GLU 581 HA GLU 581 -4.917 -8.298 -3.701 431 HB2 GLU 581 1HB GLU 581 -6.750 -8.331 -1.893 432 HB3 GLU 581 2HB GLU 581 -7.694 -7.364 -3.019 433 HG2 GLU 581 1HG GLU 581 -7.533 -9.133 -4.687 434 HG3 GLU 581 2HG GLU 581 -6.569 -10.101 -3.574 435 H GLU 582 H GLU 582 -5.655 -8.467 -5.845 436 HA GLU 582 HA GLU 582 -5.655 -5.974 -7.274 437 HB2 GLU 582 1HB GLU 582 -5.685 -8.866 -8.048 438 HB3 GLU 582 2HB GLU 582 -6.078 -7.645 -9.250 439 HG2 GLU 582 1HG GLU 582 -3.851 -6.550 -8.429 440 HG3 GLU 582 2HG GLU 582 -3.498 -8.183 -7.869 441 H VAL 583 H VAL 583 -7.300 -5.106 -8.532 442 HA VAL 583 HA VAL 583 -9.873 -5.140 -7.543 443 HB VAL 583 HB VAL 583 -9.138 -4.554 -10.412 444 HG11 VAL 583 1HG1 VAL 583 -11.073 -2.829 -9.907 445 HG12 VAL 583 2HG1 VAL 583 -11.422 -4.478 -10.431 446 HG13 VAL 583 3HG1 VAL 583 -11.533 -4.053 -8.723 447 HG21 VAL 583 1HG2 VAL 583 -7.675 -3.264 -9.051 448 HG22 VAL 583 2HG2 VAL 583 -8.962 -2.185 -9.589 449 HG23 VAL 583 3HG2 VAL 583 -8.981 -2.830 -7.948 450 H GLN 584 H GLN 584 -11.726 -6.254 -7.954 451 HA GLN 584 HA GLN 584 -11.574 -8.456 -9.902 452 HB2 GLN 584 1HB GLN 584 -12.501 -8.515 -7.045 453 HB3 GLN 584 2HB GLN 584 -13.111 -9.679 -8.213 454 HG2 GLN 584 1HG GLN 584 -10.675 -10.218 -8.708 455 HG3 GLN 584 2HG GLN 584 -10.299 -9.312 -7.243 456 HE21 GLN 584 1HE2 GLN 584 -10.492 -12.760 -6.162 457 HE22 GLN 584 2HE2 GLN 584 -9.459 -11.729 -7.086 458 H SER 585 H SER 585 -12.874 -7.727 -11.484 459 HA SER 585 HA SER 585 -15.238 -6.196 -10.980 460 HB2 SER 585 1HB SER 585 -13.686 -6.257 -13.097 461 HB3 SER 585 2HB SER 585 -14.740 -7.582 -13.591 462 HG SER 585 HG SER 585 -15.196 -4.992 -13.797 Start of MODEL 21 1 H1 MET 525 H MET 525 5.410 -11.831 -14.564 2 HA MET 525 HA MET 525 3.123 -10.986 -12.930 3 HB2 MET 525 1HB MET 525 6.024 -11.459 -12.246 4 HB3 MET 525 2HB MET 525 4.879 -10.733 -11.127 5 HG2 MET 525 1HG MET 525 3.476 -12.876 -11.630 6 HG3 MET 525 2HG MET 525 5.033 -13.531 -12.133 7 HE1 MET 525 1HE MET 525 7.112 -14.091 -10.123 8 HE2 MET 525 2HE MET 525 6.100 -15.094 -9.084 9 HE3 MET 525 3HE MET 525 5.834 -15.082 -10.827 10 H VAL 526 H VAL 526 3.071 -8.894 -11.997 11 HA VAL 526 HA VAL 526 4.982 -6.905 -12.884 12 HB VAL 526 HB VAL 526 3.062 -5.431 -13.732 13 HG11 VAL 526 1HG1 VAL 526 3.598 -7.760 -15.537 14 HG12 VAL 526 2HG1 VAL 526 3.499 -6.042 -15.931 15 HG13 VAL 526 3HG1 VAL 526 4.899 -6.670 -15.060 16 HG21 VAL 526 1HG2 VAL 526 1.736 -8.069 -14.291 17 HG22 VAL 526 2HG2 VAL 526 1.325 -7.090 -12.883 18 HG23 VAL 526 3HG2 VAL 526 1.084 -6.445 -14.507 19 HA PRO 527 HA PRO 527 3.936 -4.989 -9.076 20 HB2 PRO 527 1HB PRO 527 4.356 -2.370 -9.655 21 HB3 PRO 527 2HB PRO 527 5.672 -3.534 -9.462 22 HG2 PRO 527 1HG PRO 527 4.415 -2.494 -11.972 23 HG3 PRO 527 2HG PRO 527 6.130 -2.755 -11.605 24 HD2 PRO 527 1HD PRO 527 4.673 -4.499 -13.077 25 HD3 PRO 527 2HD PRO 527 6.004 -5.018 -12.024 26 H GLY 528 H GLY 528 2.102 -4.458 -11.881 27 HA2 GLY 528 1HA GLY 528 -0.103 -3.872 -12.165 28 HA3 GLY 528 2HA GLY 528 -0.266 -3.914 -10.416 29 H ARG 529 H ARG 529 -1.681 -2.076 -10.663 30 HA ARG 529 HA ARG 529 -0.162 0.430 -10.740 31 HB2 ARG 529 1HB ARG 529 -2.577 -0.270 -12.369 32 HB3 ARG 529 2HB ARG 529 -2.322 1.395 -11.861 33 HG2 ARG 529 1HG ARG 529 -0.225 -0.176 -13.323 34 HG3 ARG 529 2HG ARG 529 -1.472 0.754 -14.156 35 HD2 ARG 529 1HD ARG 529 -0.691 2.706 -12.659 36 HD3 ARG 529 2HD ARG 529 0.750 1.724 -12.395 37 HE ARG 529 HE ARG 529 0.442 1.800 -15.112 38 HH11 ARG 529 1HH1 ARG 529 0.775 4.170 -12.584 39 HH12 ARG 529 2HH1 ARG 529 1.559 5.334 -13.599 40 HH21 ARG 529 1HH2 ARG 529 1.474 3.323 -16.459 41 HH22 ARG 529 2HH2 ARG 529 1.956 4.852 -15.804 42 H LEU 530 H LEU 530 -3.488 -0.761 -10.222 43 HA LEU 530 HA LEU 530 -3.542 0.792 -7.719 44 HB2 LEU 530 1HB LEU 530 -5.900 0.055 -9.441 45 HB3 LEU 530 2HB LEU 530 -5.914 1.083 -8.010 46 HG LEU 530 HG LEU 530 -6.049 2.628 -9.712 47 HD11 LEU 530 1HD1 LEU 530 -3.088 2.562 -9.789 48 HD12 LEU 530 2HD1 LEU 530 -3.857 2.709 -8.210 49 HD13 LEU 530 3HD1 LEU 530 -4.188 3.903 -9.465 50 HD21 LEU 530 1HD2 LEU 530 -4.703 0.556 -11.256 51 HD22 LEU 530 2HD2 LEU 530 -4.137 2.183 -11.637 52 HD23 LEU 530 3HD2 LEU 530 -5.852 1.790 -11.773 53 H PHE 531 H PHE 531 -3.871 -0.300 -5.891 54 HA PHE 531 HA PHE 531 -4.984 -3.020 -6.068 55 HB2 PHE 531 1HB PHE 531 -2.580 -2.049 -4.539 56 HB3 PHE 531 2HB PHE 531 -3.442 -3.507 -4.063 57 HD1 PHE 531 1HD PHE 531 -3.002 -5.544 -5.105 58 HD2 PHE 531 2HD PHE 531 -1.654 -1.929 -6.903 59 HE1 PHE 531 1HE PHE 531 -1.710 -6.845 -6.745 60 HE2 PHE 531 2HE PHE 531 -0.362 -3.224 -8.546 61 HZ PHE 531 HZ PHE 531 -0.389 -5.685 -8.470 62 H VAL 532 H VAL 532 -5.942 -3.806 -4.045 63 HA VAL 532 HA VAL 532 -6.963 -1.612 -2.361 64 HB VAL 532 HB VAL 532 -8.561 -4.053 -3.126 65 HG11 VAL 532 1HG1 VAL 532 -10.271 -2.003 -2.436 66 HG12 VAL 532 2HG1 VAL 532 -9.800 -3.356 -1.405 67 HG13 VAL 532 3HG1 VAL 532 -8.935 -1.822 -1.300 68 HG21 VAL 532 1HG2 VAL 532 -8.395 -2.975 -5.171 69 HG22 VAL 532 2HG2 VAL 532 -9.863 -2.276 -4.492 70 HG23 VAL 532 3HG2 VAL 532 -8.351 -1.371 -4.438 71 H ALA 533 H ALA 533 -6.456 -1.849 -0.294 72 HA ALA 533 HA ALA 533 -5.221 -4.195 0.720 73 HB1 ALA 533 1HB ALA 533 -4.524 -2.191 1.706 74 HB2 ALA 533 2HB ALA 533 -6.179 -1.652 1.993 75 HB3 ALA 533 3HB ALA 533 -5.503 -2.972 2.947 76 H ILE 534 H ILE 534 -6.110 -5.971 1.537 77 HA ILE 534 HA ILE 534 -8.964 -5.898 2.259 78 HB ILE 534 HB ILE 534 -8.961 -8.343 1.878 79 HG12 ILE 534 1HG1 ILE 534 -6.351 -8.138 0.447 80 HG13 ILE 534 2HG1 ILE 534 -6.321 -8.309 2.199 81 HG21 ILE 534 1HG2 ILE 534 -8.590 -6.284 -0.139 82 HG22 ILE 534 2HG2 ILE 534 -8.176 -7.895 -0.725 83 HG23 ILE 534 3HG2 ILE 534 -9.777 -7.586 -0.055 84 HD11 ILE 534 1HD1 ILE 534 -6.121 -10.456 1.060 85 HD12 ILE 534 2HD1 ILE 534 -7.588 -10.370 2.036 86 HD13 ILE 534 3HD1 ILE 534 -7.682 -10.189 0.285 87 H LYS 535 H LYS 535 -5.833 -6.256 3.499 88 HA LYS 535 HA LYS 535 -6.933 -7.265 6.036 89 HB2 LYS 535 1HB LYS 535 -4.277 -7.988 4.787 90 HB3 LYS 535 2HB LYS 535 -4.753 -8.408 6.427 91 HG2 LYS 535 1HG LYS 535 -6.350 -9.247 4.027 92 HG3 LYS 535 2HG LYS 535 -5.010 -10.204 4.662 93 HD2 LYS 535 1HD LYS 535 -6.124 -10.388 6.810 94 HD3 LYS 535 2HD LYS 535 -7.436 -9.352 6.244 95 HE2 LYS 535 1HE LYS 535 -7.542 -11.201 4.336 96 HE3 LYS 535 2HE LYS 535 -6.837 -12.191 5.613 97 HZ1 LYS 535 1HZ LYS 535 -8.732 -12.173 6.792 98 HZ2 LYS 535 2HZ LYS 535 -9.455 -11.814 5.305 99 HZ3 LYS 535 3HZ LYS 535 -9.110 -10.570 6.400 100 HA PRO 536 HA PRO 536 -5.220 -3.491 7.596 101 HB2 PRO 536 1HB PRO 536 -5.563 -4.034 10.234 102 HB3 PRO 536 2HB PRO 536 -6.894 -3.571 9.168 103 HG2 PRO 536 1HG PRO 536 -6.070 -6.296 10.096 104 HG3 PRO 536 2HG PRO 536 -7.697 -5.604 9.961 105 HD2 PRO 536 1HD PRO 536 -6.672 -7.289 8.107 106 HD3 PRO 536 2HD PRO 536 -7.810 -5.991 7.691 107 H TYR 537 H TYR 537 -3.287 -2.778 8.407 108 HA TYR 537 HA TYR 537 -1.523 -4.548 9.855 109 HB2 TYR 537 1HB TYR 537 -1.297 -4.936 7.267 110 HB3 TYR 537 2HB TYR 537 -0.381 -3.435 7.320 111 HD1 TYR 537 1HD TYR 537 1.709 -3.313 8.664 112 HD2 TYR 537 2HD TYR 537 -0.370 -6.978 8.071 113 HE1 TYR 537 1HE TYR 537 3.716 -4.557 9.354 114 HE2 TYR 537 2HE TYR 537 1.630 -8.231 8.761 115 HH TYR 537 HH TYR 537 4.699 -6.655 9.277 116 H GLN 538 H GLN 538 0.323 -3.468 10.724 117 HA GLN 538 HA GLN 538 0.134 -0.529 10.620 118 HB2 GLN 538 1HB GLN 538 0.530 -2.366 12.964 119 HB3 GLN 538 2HB GLN 538 1.083 -0.697 13.022 120 HG2 GLN 538 1HG GLN 538 -1.737 -1.669 12.640 121 HG3 GLN 538 2HG GLN 538 -1.072 -0.832 14.042 122 HE21 GLN 538 1HE2 GLN 538 -1.078 2.363 12.505 123 HE22 GLN 538 2HE2 GLN 538 -0.232 1.367 13.635 124 HA PRO 539 HA PRO 539 4.398 -0.356 9.603 125 HB2 PRO 539 1HB PRO 539 5.193 1.878 10.924 126 HB3 PRO 539 2HB PRO 539 4.167 1.927 9.487 127 HG2 PRO 539 1HG PRO 539 3.396 2.128 12.373 128 HG3 PRO 539 2HG PRO 539 2.814 3.075 10.991 129 HD2 PRO 539 1HD PRO 539 1.405 1.016 12.045 130 HD3 PRO 539 2HD PRO 539 1.350 1.425 10.318 131 H GLN 540 H GLN 540 5.843 -1.768 10.355 132 HA GLN 540 HA GLN 540 6.624 -1.595 13.190 133 HB2 GLN 540 1HB GLN 540 5.858 -3.942 11.549 134 HB3 GLN 540 2HB GLN 540 7.222 -4.157 12.638 135 HG2 GLN 540 1HG GLN 540 5.359 -4.851 13.860 136 HG3 GLN 540 2HG GLN 540 5.717 -3.232 14.460 137 HE21 GLN 540 1HE2 GLN 540 2.620 -1.942 13.660 138 HE22 GLN 540 2HE2 GLN 540 4.151 -1.763 14.441 139 H VAL 541 H VAL 541 7.631 -0.891 10.228 140 HA VAL 541 HA VAL 541 10.438 -1.270 10.940 141 HB VAL 541 HB VAL 541 9.454 -1.980 8.179 142 HG11 VAL 541 1HG1 VAL 541 11.800 -3.160 8.318 143 HG12 VAL 541 2HG1 VAL 541 11.668 -1.447 7.915 144 HG13 VAL 541 3HG1 VAL 541 12.095 -1.939 9.555 145 HG21 VAL 541 1HG2 VAL 541 10.072 -3.782 10.514 146 HG22 VAL 541 2HG2 VAL 541 8.546 -3.639 9.640 147 HG23 VAL 541 3HG2 VAL 541 9.955 -4.339 8.845 148 H ASP 542 H ASP 542 11.876 0.164 9.856 149 HA ASP 542 HA ASP 542 10.931 2.763 9.524 150 HB2 ASP 542 1HB ASP 542 13.183 3.180 8.432 151 HB3 ASP 542 2HB ASP 542 13.232 2.462 10.040 152 H GLY 543 H GLY 543 9.546 3.420 8.014 153 HA2 GLY 543 1HA GLY 543 9.331 4.154 5.711 154 HA3 GLY 543 2HA GLY 543 10.095 2.649 5.219 155 H GLU 544 H GLU 544 8.561 0.964 6.988 156 HA GLU 544 HA GLU 544 6.475 0.219 5.351 157 HB2 GLU 544 1HB GLU 544 7.207 -0.306 8.174 158 HB3 GLU 544 2HB GLU 544 5.544 -0.659 7.725 159 HG2 GLU 544 1HG GLU 544 6.464 -2.025 5.824 160 HG3 GLU 544 2HG GLU 544 8.053 -1.828 6.561 161 H ILE 545 H ILE 545 4.183 0.399 5.541 162 HA ILE 545 HA ILE 545 3.248 2.754 7.037 163 HB ILE 545 HB ILE 545 1.616 2.971 4.973 164 HG12 ILE 545 1HG1 ILE 545 4.117 1.817 3.722 165 HG13 ILE 545 2HG1 ILE 545 2.558 1.007 3.801 166 HG21 ILE 545 1HG2 ILE 545 4.436 3.996 4.749 167 HG22 ILE 545 2HG2 ILE 545 2.957 4.753 4.158 168 HG23 ILE 545 3HG2 ILE 545 3.257 4.639 5.892 169 HD11 ILE 545 1HD1 ILE 545 1.573 2.598 2.339 170 HD12 ILE 545 2HD1 ILE 545 2.997 3.636 2.417 171 HD13 ILE 545 3HD1 ILE 545 3.091 2.069 1.612 172 HA PRO 546 HA PRO 546 -0.107 0.277 8.407 173 HB2 PRO 546 1HB PRO 546 -2.120 2.093 8.528 174 HB3 PRO 546 2HB PRO 546 -0.774 2.075 9.674 175 HG2 PRO 546 1HG PRO 546 -1.181 3.793 7.256 176 HG3 PRO 546 2HG PRO 546 -0.588 4.247 8.864 177 HD2 PRO 546 1HD PRO 546 1.069 3.841 6.762 178 HD3 PRO 546 2HD PRO 546 1.542 3.479 8.433 179 H LEU 547 H LEU 547 -2.366 -0.396 7.888 180 HA LEU 547 HA LEU 547 -3.242 0.121 5.163 181 HB2 LEU 547 1HB LEU 547 -2.374 -2.575 6.168 182 HB3 LEU 547 2HB LEU 547 -3.476 -2.388 4.807 183 HG LEU 547 HG LEU 547 -0.763 -1.104 4.807 184 HD11 LEU 547 1HD1 LEU 547 -1.351 -3.923 4.746 185 HD12 LEU 547 2HD1 LEU 547 0.208 -3.098 4.743 186 HD13 LEU 547 3HD1 LEU 547 -0.637 -3.393 3.223 187 HD21 LEU 547 1HD2 LEU 547 -1.955 -2.135 2.343 188 HD22 LEU 547 2HD2 LEU 547 -1.219 -0.569 2.681 189 HD23 LEU 547 3HD2 LEU 547 -2.900 -0.868 3.125 190 H HIS 548 H HIS 548 -5.405 -0.592 4.743 191 HA HIS 548 HA HIS 548 -6.946 -1.559 7.023 192 HB2 HIS 548 1HB HIS 548 -6.820 1.111 6.696 193 HB3 HIS 548 2HB HIS 548 -8.153 0.749 5.603 194 HD1 HIS 548 1HD HIS 548 -7.185 0.081 9.220 195 HD2 HIS 548 2HD HIS 548 -10.556 0.585 6.843 196 HE1 HIS 548 1HE HIS 548 -9.136 0.064 10.807 197 H ARG 549 H ARG 549 -8.982 -2.443 6.463 198 HA ARG 549 HA ARG 549 -9.033 -3.663 3.887 199 HB2 ARG 549 1HB ARG 549 -11.287 -3.610 5.892 200 HB3 ARG 549 2HB ARG 549 -10.988 -4.810 4.642 201 HG2 ARG 549 1HG ARG 549 -9.026 -5.593 5.801 202 HG3 ARG 549 2HG ARG 549 -9.195 -4.319 7.009 203 HD2 ARG 549 1HD ARG 549 -11.654 -5.517 7.078 204 HD3 ARG 549 2HD ARG 549 -10.584 -6.882 6.765 205 HE ARG 549 HE ARG 549 -9.521 -5.328 8.853 206 HH11 ARG 549 1HH1 ARG 549 -12.175 -7.479 8.178 207 HH12 ARG 549 2HH1 ARG 549 -12.322 -8.021 9.817 208 HH21 ARG 549 1HH2 ARG 549 -9.705 -6.035 11.014 209 HH22 ARG 549 2HH2 ARG 549 -10.917 -7.199 11.429 210 H GLY 550 H GLY 550 -9.732 -2.756 2.074 211 HA2 GLY 550 1HA GLY 550 -11.522 -1.851 0.769 212 HA3 GLY 550 2HA GLY 550 -12.079 -0.989 2.195 213 H ASP 551 H ASP 551 -8.778 -0.729 2.065 214 HA ASP 551 HA ASP 551 -8.961 2.018 1.152 215 HB2 ASP 551 1HB ASP 551 -7.000 0.398 2.678 216 HB3 ASP 551 2HB ASP 551 -6.344 1.720 1.716 217 H ARG 552 H ARG 552 -7.965 2.876 -0.633 218 HA ARG 552 HA ARG 552 -7.201 0.950 -2.688 219 HB2 ARG 552 1HB ARG 552 -8.315 3.669 -2.650 220 HB3 ARG 552 2HB ARG 552 -7.095 3.408 -3.890 221 HG2 ARG 552 1HG ARG 552 -9.305 2.985 -4.773 222 HG3 ARG 552 2HG ARG 552 -8.368 1.490 -4.728 223 HD2 ARG 552 1HD ARG 552 -10.542 0.961 -3.940 224 HD3 ARG 552 2HD ARG 552 -9.481 0.983 -2.532 225 HE ARG 552 HE ARG 552 -10.640 2.792 -1.718 226 HH11 ARG 552 1HH1 ARG 552 -11.515 2.243 -5.043 227 HH12 ARG 552 2HH1 ARG 552 -12.830 3.369 -5.020 228 HH21 ARG 552 1HH2 ARG 552 -12.370 4.278 -1.674 229 HH22 ARG 552 2HH2 ARG 552 -13.316 4.527 -3.103 230 H VAL 553 H VAL 553 -5.119 0.349 -2.286 231 HA VAL 553 HA VAL 553 -3.097 2.387 -1.784 232 HB VAL 553 HB VAL 553 -2.877 -0.624 -1.905 233 HG11 VAL 553 1HG1 VAL 553 -0.694 -0.284 -2.199 234 HG12 VAL 553 2HG1 VAL 553 -0.853 1.454 -1.938 235 HG13 VAL 553 3HG1 VAL 553 -0.672 0.367 -0.560 236 HG21 VAL 553 1HG2 VAL 553 -2.250 0.085 0.627 237 HG22 VAL 553 2HG2 VAL 553 -3.449 1.317 0.233 238 HG23 VAL 553 3HG2 VAL 553 -3.866 -0.391 0.108 239 H LYS 554 H LYS 554 -1.623 3.069 -3.230 240 HA LYS 554 HA LYS 554 -1.800 1.967 -5.948 241 HB2 LYS 554 1HB LYS 554 -2.251 4.450 -5.445 242 HB3 LYS 554 2HB LYS 554 -0.514 4.584 -5.200 243 HG2 LYS 554 1HG LYS 554 -0.086 3.912 -7.465 244 HG3 LYS 554 2HG LYS 554 -1.800 3.579 -7.729 245 HD2 LYS 554 1HD LYS 554 -1.612 5.670 -8.668 246 HD3 LYS 554 2HD LYS 554 -2.077 6.089 -7.017 247 HE2 LYS 554 1HE LYS 554 -0.279 7.515 -7.570 248 HE3 LYS 554 2HE LYS 554 0.391 6.277 -6.508 249 HZ1 LYS 554 1HZ LYS 554 1.798 6.755 -8.452 250 HZ2 LYS 554 2HZ LYS 554 0.560 6.220 -9.472 251 HZ3 LYS 554 3HZ LYS 554 1.296 5.140 -8.400 252 H VAL 555 H VAL 555 -0.210 0.687 -6.592 253 HA VAL 555 HA VAL 555 2.265 0.537 -5.109 254 HB VAL 555 HB VAL 555 1.337 -0.982 -7.550 255 HG11 VAL 555 1HG1 VAL 555 3.749 -1.416 -5.792 256 HG12 VAL 555 2HG1 VAL 555 3.197 -2.516 -7.057 257 HG13 VAL 555 3HG1 VAL 555 3.760 -0.897 -7.477 258 HG21 VAL 555 1HG2 VAL 555 0.994 -2.830 -5.985 259 HG22 VAL 555 2HG2 VAL 555 1.479 -1.791 -4.646 260 HG23 VAL 555 3HG2 VAL 555 0.008 -1.434 -5.551 261 H LEU 556 H LEU 556 4.287 1.099 -5.809 262 HA LEU 556 HA LEU 556 4.425 2.590 -8.348 263 HB2 LEU 556 1HB LEU 556 6.129 3.133 -5.932 264 HB3 LEU 556 2HB LEU 556 5.943 4.127 -7.375 265 HG LEU 556 HG LEU 556 3.643 3.633 -5.510 266 HD11 LEU 556 1HD1 LEU 556 4.280 5.245 -4.053 267 HD12 LEU 556 2HD1 LEU 556 5.197 6.139 -5.266 268 HD13 LEU 556 3HD1 LEU 556 5.886 4.693 -4.529 269 HD21 LEU 556 1HD2 LEU 556 3.612 4.694 -7.939 270 HD22 LEU 556 2HD2 LEU 556 4.093 6.136 -7.043 271 HD23 LEU 556 3HD2 LEU 556 2.589 5.306 -6.639 272 H SER 557 H SER 557 6.129 0.499 -6.076 273 HA SER 557 HA SER 557 7.629 -0.672 -8.248 274 HB2 SER 557 1HB SER 557 8.891 1.424 -7.289 275 HB3 SER 557 2HB SER 557 9.298 0.329 -5.968 276 HG SER 557 HG SER 557 10.790 -0.411 -7.233 277 H ILE 558 H ILE 558 8.678 -2.644 -7.659 278 HA ILE 558 HA ILE 558 7.247 -4.156 -5.741 279 HB ILE 558 HB ILE 558 9.828 -4.829 -7.159 280 HG12 ILE 558 1HG1 ILE 558 7.883 -4.370 -8.645 281 HG13 ILE 558 2HG1 ILE 558 8.442 -6.037 -8.736 282 HG21 ILE 558 1HG2 ILE 558 8.708 -7.209 -6.656 283 HG22 ILE 558 2HG2 ILE 558 9.862 -6.437 -5.569 284 HG23 ILE 558 3HG2 ILE 558 8.132 -6.314 -5.250 285 HD11 ILE 558 1HD1 ILE 558 6.444 -6.794 -8.163 286 HD12 ILE 558 2HD1 ILE 558 6.402 -5.763 -6.732 287 HD13 ILE 558 3HD1 ILE 558 5.847 -5.139 -8.286 288 H GLY 559 H GLY 559 7.833 -4.944 -3.741 289 HA2 GLY 559 1HA GLY 559 9.749 -3.340 -2.288 290 HA3 GLY 559 2HA GLY 559 8.694 -4.572 -1.615 291 H GLU 560 H GLU 560 9.623 -6.391 -0.952 292 HA GLU 560 HA GLU 560 11.685 -7.735 -2.325 293 HB2 GLU 560 1HB GLU 560 13.101 -5.925 -1.537 294 HB3 GLU 560 2HB GLU 560 12.539 -6.163 0.111 295 HG2 GLU 560 1HG GLU 560 14.682 -7.141 -0.036 296 HG3 GLU 560 2HG GLU 560 13.518 -8.465 0.018 297 H GLY 561 H GLY 561 10.861 -9.697 -1.954 298 HA2 GLY 561 1HA GLY 561 10.550 -11.645 -0.728 299 HA3 GLY 561 2HA GLY 561 10.912 -10.746 0.738 300 H GLY 562 H GLY 562 8.391 -10.593 -1.789 301 HA2 GLY 562 1HA GLY 562 6.097 -10.853 -1.575 302 HA3 GLY 562 2HA GLY 562 6.333 -11.249 0.121 303 H PHE 563 H PHE 563 7.975 -8.443 -0.463 304 HA PHE 563 HA PHE 563 5.847 -6.872 0.763 305 HB2 PHE 563 1HB PHE 563 8.757 -6.817 0.776 306 HB3 PHE 563 2HB PHE 563 8.068 -5.224 0.488 307 HD1 PHE 563 1HD PHE 563 6.381 -4.327 2.136 308 HD2 PHE 563 2HD PHE 563 8.784 -7.751 2.918 309 HE1 PHE 563 1HE PHE 563 5.945 -4.078 4.545 310 HE2 PHE 563 2HE PHE 563 8.353 -7.509 5.327 311 HZ PHE 563 HZ PHE 563 6.930 -5.672 6.144 312 H TRP 564 H TRP 564 5.986 -4.422 0.023 313 HA TRP 564 HA TRP 564 6.317 -4.121 -2.839 314 HB2 TRP 564 1HB TRP 564 3.794 -4.828 -1.807 315 HB3 TRP 564 2HB TRP 564 3.698 -3.110 -2.186 316 HD1 TRP 564 HD TRP 564 5.674 -3.304 -4.785 317 HE1 TRP 564 1HE TRP 564 4.703 -4.292 -6.954 318 HE3 TRP 564 3HE TRP 564 1.728 -5.883 -2.807 319 HZ2 TRP 564 2HZ TRP 564 2.550 -5.945 -7.725 320 HZ3 TRP 564 3HZ TRP 564 0.260 -7.142 -4.329 321 HH2 TRP 564 HH TRP 564 0.663 -7.170 -6.737 322 H GLU 565 H GLU 565 6.007 -1.876 -3.544 323 HA GLU 565 HA GLU 565 6.309 0.042 -1.329 324 HB2 GLU 565 1HB GLU 565 7.681 0.494 -3.947 325 HB3 GLU 565 2HB GLU 565 8.098 1.101 -2.351 326 HG2 GLU 565 1HG GLU 565 8.581 -1.391 -1.815 327 HG3 GLU 565 2HG GLU 565 8.663 -1.563 -3.568 328 H GLY 566 H GLY 566 4.703 1.461 -1.314 329 HA2 GLY 566 1HA GLY 566 3.932 2.897 -3.667 330 HA3 GLY 566 2HA GLY 566 2.705 1.739 -3.176 331 H SER 567 H SER 567 1.319 3.594 -2.873 332 HA SER 567 HA SER 567 1.822 4.933 -0.295 333 HB2 SER 567 1HB SER 567 0.221 6.179 -2.527 334 HB3 SER 567 2HB SER 567 0.907 6.959 -1.102 335 HG SER 567 HG SER 567 2.095 7.307 -3.086 336 H ALA 568 H ALA 568 0.069 5.214 1.080 337 HA ALA 568 HA ALA 568 -2.578 4.381 0.302 338 HB1 ALA 568 1HB ALA 568 -1.455 2.223 0.727 339 HB2 ALA 568 2HB ALA 568 -1.119 2.751 2.376 340 HB3 ALA 568 3HB ALA 568 -2.786 2.535 1.842 341 H ARG 569 H ARG 569 -4.081 5.404 1.491 342 HA ARG 569 HA ARG 569 -5.011 6.798 3.029 343 HB2 ARG 569 1HB ARG 569 -3.112 5.167 4.655 344 HB3 ARG 569 2HB ARG 569 -3.872 6.563 5.407 345 HG2 ARG 569 1HG ARG 569 -5.624 4.662 3.958 346 HG3 ARG 569 2HG ARG 569 -4.945 4.149 5.504 347 HD2 ARG 569 1HD ARG 569 -6.424 6.742 5.097 348 HD3 ARG 569 2HD ARG 569 -7.193 5.251 5.643 349 HE ARG 569 HE ARG 569 -5.622 7.037 7.211 350 HH11 ARG 569 1HH1 ARG 569 -6.471 3.686 6.801 351 HH12 ARG 569 2HH1 ARG 569 -6.171 3.272 8.456 352 HH21 ARG 569 1HH2 ARG 569 -5.224 6.505 9.393 353 HH22 ARG 569 2HH2 ARG 569 -5.462 4.877 9.930 354 H GLY 570 H GLY 570 -2.616 7.626 1.436 355 HA2 GLY 570 1HA GLY 570 -1.667 9.740 1.183 356 HA3 GLY 570 2HA GLY 570 -2.191 10.142 2.813 357 H HIS 571 H HIS 571 -0.556 7.169 2.577 358 HA HIS 571 HA HIS 571 1.953 8.437 3.464 359 HB2 HIS 571 1HB HIS 571 0.914 5.777 4.445 360 HB3 HIS 571 2HB HIS 571 2.284 6.689 5.069 361 HD1 HIS 571 1HD HIS 571 -0.975 5.884 6.016 362 HD2 HIS 571 2HD HIS 571 1.160 9.446 5.946 363 HE1 HIS 571 1HE HIS 571 -2.158 7.408 7.629 364 H ILE 572 H ILE 572 3.634 8.001 2.211 365 HA ILE 572 HA ILE 572 3.472 5.718 0.376 366 HB ILE 572 HB ILE 572 5.446 7.996 0.281 367 HG12 ILE 572 1HG1 ILE 572 3.723 8.413 -1.802 368 HG13 ILE 572 2HG1 ILE 572 2.626 7.841 -0.549 369 HG21 ILE 572 1HG2 ILE 572 4.751 5.720 -1.527 370 HG22 ILE 572 2HG2 ILE 572 5.401 7.215 -2.197 371 HG23 ILE 572 3HG2 ILE 572 6.335 6.301 -1.013 372 HD11 ILE 572 1HD1 ILE 572 3.155 10.383 -0.819 373 HD12 ILE 572 2HD1 ILE 572 2.986 9.665 0.782 374 HD13 ILE 572 3HD1 ILE 572 4.591 9.971 0.120 375 H GLY 573 H GLY 573 4.545 3.933 0.886 376 HA2 GLY 573 1HA GLY 573 7.266 3.942 1.691 377 HA3 GLY 573 2HA GLY 573 6.229 3.619 3.072 378 H TRP 574 H TRP 574 7.062 1.524 3.306 379 HA TRP 574 HA TRP 574 6.586 -0.350 1.111 380 HB2 TRP 574 1HB TRP 574 8.344 -0.311 3.498 381 HB3 TRP 574 2HB TRP 574 7.720 -1.886 3.013 382 HD1 TRP 574 HD TRP 574 8.524 -2.845 0.633 383 HE1 TRP 574 1HE TRP 574 10.570 -2.288 -0.827 384 HE3 TRP 574 3HE TRP 574 9.877 1.587 2.790 385 HZ2 TRP 574 2HZ TRP 574 12.501 -0.240 -1.037 386 HZ3 TRP 574 3HZ TRP 574 11.836 2.782 1.901 387 HH2 TRP 574 HH TRP 574 13.119 1.886 0.028 388 H PHE 575 H PHE 575 5.550 -2.414 1.559 389 HA PHE 575 HA PHE 575 4.053 -2.861 3.924 390 HB2 PHE 575 1HB PHE 575 1.796 -2.529 3.042 391 HB3 PHE 575 2HB PHE 575 2.697 -1.017 3.015 392 HD1 PHE 575 1HD PHE 575 1.498 -3.811 0.915 393 HD2 PHE 575 2HD PHE 575 3.059 0.148 1.006 394 HE1 PHE 575 1HE PHE 575 0.993 -3.560 -1.480 395 HE2 PHE 575 2HE PHE 575 2.556 0.406 -1.387 396 HZ PHE 575 HZ PHE 575 1.521 -1.449 -2.635 397 HA PRO 576 HA PRO 576 4.009 -6.924 2.264 398 HB2 PRO 576 1HB PRO 576 1.846 -7.976 3.524 399 HB3 PRO 576 2HB PRO 576 3.370 -7.637 4.353 400 HG2 PRO 576 1HG PRO 576 0.854 -6.018 4.280 401 HG3 PRO 576 2HG PRO 576 1.911 -6.379 5.656 402 HD2 PRO 576 1HD PRO 576 1.994 -4.017 4.335 403 HD3 PRO 576 2HD PRO 576 3.433 -4.748 5.076 404 H ALA 577 H ALA 577 3.266 -7.916 0.477 405 HA ALA 577 HA ALA 577 1.195 -6.695 -1.065 406 HB1 ALA 577 1HB ALA 577 1.735 -8.268 -2.762 407 HB2 ALA 577 2HB ALA 577 3.252 -7.793 -1.996 408 HB3 ALA 577 3HB ALA 577 2.514 -9.346 -1.605 409 H GLU 578 H GLU 578 1.393 -9.445 1.071 410 HA GLU 578 HA GLU 578 -0.930 -10.803 0.237 411 HB2 GLU 578 1HB GLU 578 -0.869 -11.817 2.526 412 HB3 GLU 578 2HB GLU 578 0.640 -11.945 1.633 413 HG2 GLU 578 1HG GLU 578 1.737 -10.466 2.997 414 HG3 GLU 578 2HG GLU 578 0.254 -9.650 3.486 415 H CYS 579 H CYS 579 -0.529 -7.838 1.830 416 HA CYS 579 HA CYS 579 -3.115 -7.911 3.158 417 HB2 CYS 579 1HB CYS 579 -0.774 -6.079 3.146 418 HB3 CYS 579 2HB CYS 579 -2.347 -5.363 3.479 419 HG CYS 579 HG CYS 579 -2.117 -8.047 5.307 420 H VAL 580 H VAL 580 -1.841 -7.068 0.128 421 HA VAL 580 HA VAL 580 -4.195 -5.403 -0.483 422 HB VAL 580 HB VAL 580 -2.827 -4.722 -2.529 423 HG11 VAL 580 1HG1 VAL 580 -1.908 -2.898 -1.403 424 HG12 VAL 580 2HG1 VAL 580 -3.218 -3.422 -0.343 425 HG13 VAL 580 3HG1 VAL 580 -1.549 -3.848 0.039 426 HG21 VAL 580 1HG2 VAL 580 -1.176 -6.574 -2.286 427 HG22 VAL 580 2HG2 VAL 580 -0.444 -4.977 -2.436 428 HG23 VAL 580 3HG2 VAL 580 -0.541 -5.758 -0.858 429 H GLU 581 H GLU 581 -5.199 -5.693 -2.569 430 HA GLU 581 HA GLU 581 -4.619 -8.154 -4.002 431 HB2 GLU 581 1HB GLU 581 -6.131 -9.005 -2.356 432 HB3 GLU 581 2HB GLU 581 -7.227 -7.648 -2.573 433 HG2 GLU 581 1HG GLU 581 -7.820 -8.419 -4.775 434 HG3 GLU 581 2HG GLU 581 -6.632 -9.716 -4.675 435 H GLU 582 H GLU 582 -5.217 -8.094 -6.126 436 HA GLU 582 HA GLU 582 -5.714 -5.575 -7.296 437 HB2 GLU 582 1HB GLU 582 -5.443 -8.365 -8.256 438 HB3 GLU 582 2HB GLU 582 -6.311 -7.260 -9.313 439 HG2 GLU 582 1HG GLU 582 -4.224 -5.721 -8.844 440 HG3 GLU 582 2HG GLU 582 -3.455 -7.273 -8.513 441 H VAL 583 H VAL 583 -7.530 -4.802 -8.423 442 HA VAL 583 HA VAL 583 -9.982 -5.044 -7.177 443 HB VAL 583 HB VAL 583 -9.587 -4.322 -10.082 444 HG11 VAL 583 1HG1 VAL 583 -11.899 -4.599 -9.620 445 HG12 VAL 583 2HG1 VAL 583 -11.765 -3.729 -8.090 446 HG13 VAL 583 3HG1 VAL 583 -11.584 -2.864 -9.616 447 HG21 VAL 583 1HG2 VAL 583 -9.521 -1.964 -9.151 448 HG22 VAL 583 2HG2 VAL 583 -9.240 -2.699 -7.573 449 HG23 VAL 583 3HG2 VAL 583 -8.085 -2.951 -8.882 450 H GLN 584 H GLN 584 -11.832 -6.220 -7.511 451 HA GLN 584 HA GLN 584 -11.662 -8.419 -9.463 452 HB2 GLN 584 1HB GLN 584 -12.765 -9.892 -7.887 453 HB3 GLN 584 2HB GLN 584 -11.308 -9.233 -7.157 454 HG2 GLN 584 1HG GLN 584 -12.755 -8.991 -5.425 455 HG3 GLN 584 2HG GLN 584 -12.988 -7.437 -6.226 456 HE21 GLN 584 1HE2 GLN 584 -16.376 -8.325 -5.719 457 HE22 GLN 584 2HE2 GLN 584 -15.024 -7.525 -5.003 458 H SER 585 H SER 585 -13.372 -8.681 -10.768 459 HA SER 585 HA SER 585 -15.925 -7.438 -10.048 460 HB2 SER 585 1HB SER 585 -15.078 -5.729 -11.414 461 HB3 SER 585 2HB SER 585 -14.290 -6.866 -12.507 462 HG SER 585 HG SER 585 -16.068 -6.279 -13.595 Start of MODEL 22 1 H1 MET 525 H MET 525 3.546 -7.985 -17.046 2 HA MET 525 HA MET 525 2.931 -8.478 -14.280 3 HB2 MET 525 1HB MET 525 5.247 -9.375 -16.003 4 HB3 MET 525 2HB MET 525 4.959 -9.923 -14.357 5 HG2 MET 525 1HG MET 525 2.780 -10.832 -15.083 6 HG3 MET 525 2HG MET 525 3.172 -10.365 -16.736 7 HE1 MET 525 1HE MET 525 3.405 -12.733 -18.094 8 HE2 MET 525 2HE MET 525 3.545 -14.164 -17.073 9 HE3 MET 525 3HE MET 525 2.304 -12.956 -16.734 10 H VAL 526 H VAL 526 3.478 -5.756 -14.767 11 HA VAL 526 HA VAL 526 5.936 -5.420 -13.179 12 HB VAL 526 HB VAL 526 6.114 -3.139 -14.338 13 HG11 VAL 526 1HG1 VAL 526 6.975 -5.776 -15.169 14 HG12 VAL 526 2HG1 VAL 526 6.903 -4.648 -16.524 15 HG13 VAL 526 3HG1 VAL 526 7.878 -4.263 -15.105 16 HG21 VAL 526 1HG2 VAL 526 3.747 -3.784 -15.452 17 HG22 VAL 526 2HG2 VAL 526 4.887 -2.647 -16.169 18 HG23 VAL 526 3HG2 VAL 526 4.845 -4.320 -16.721 19 HA PRO 527 HA PRO 527 3.558 -3.080 -10.325 20 HB2 PRO 527 1HB PRO 527 5.371 -1.241 -9.489 21 HB3 PRO 527 2HB PRO 527 5.451 -2.946 -9.031 22 HG2 PRO 527 1HG PRO 527 6.963 -1.483 -11.161 23 HG3 PRO 527 2HG PRO 527 7.550 -2.687 -9.998 24 HD2 PRO 527 1HD PRO 527 6.979 -3.305 -12.572 25 HD3 PRO 527 2HD PRO 527 6.757 -4.459 -11.241 26 H GLY 528 H GLY 528 3.004 -0.740 -9.716 27 HA2 GLY 528 1HA GLY 528 2.795 1.548 -10.432 28 HA3 GLY 528 2HA GLY 528 3.037 1.007 -12.087 29 H ARG 529 H ARG 529 0.948 -0.865 -10.088 30 HA ARG 529 HA ARG 529 -1.365 0.216 -11.553 31 HB2 ARG 529 1HB ARG 529 -0.819 -2.549 -10.474 32 HB3 ARG 529 2HB ARG 529 -2.404 -2.038 -11.039 33 HG2 ARG 529 1HG ARG 529 0.080 -1.973 -12.736 34 HG3 ARG 529 2HG ARG 529 -1.063 -3.316 -12.704 35 HD2 ARG 529 1HD ARG 529 -2.794 -1.358 -13.154 36 HD3 ARG 529 2HD ARG 529 -1.362 -0.584 -13.831 37 HE ARG 529 HE ARG 529 -1.552 -3.184 -14.859 38 HH11 ARG 529 1HH1 ARG 529 -3.198 -0.122 -15.026 39 HH12 ARG 529 2HH1 ARG 529 -3.796 -0.383 -16.631 40 HH21 ARG 529 1HH2 ARG 529 -2.333 -3.539 -16.973 41 HH22 ARG 529 2HH2 ARG 529 -3.304 -2.327 -17.737 42 H LEU 530 H LEU 530 -3.485 -0.513 -10.246 43 HA LEU 530 HA LEU 530 -3.172 0.696 -7.589 44 HB2 LEU 530 1HB LEU 530 -5.363 0.633 -9.601 45 HB3 LEU 530 2HB LEU 530 -5.793 0.774 -7.897 46 HG LEU 530 HG LEU 530 -5.704 2.947 -9.064 47 HD11 LEU 530 1HD1 LEU 530 -3.803 3.852 -7.406 48 HD12 LEU 530 2HD1 LEU 530 -4.076 2.259 -6.700 49 HD13 LEU 530 3HD1 LEU 530 -5.419 3.390 -6.869 50 HD21 LEU 530 1HD2 LEU 530 -3.566 2.001 -10.381 51 HD22 LEU 530 2HD2 LEU 530 -2.752 2.924 -9.117 52 HD23 LEU 530 3HD2 LEU 530 -3.905 3.722 -10.188 53 H PHE 531 H PHE 531 -3.592 -0.424 -5.789 54 HA PHE 531 HA PHE 531 -4.912 -3.043 -6.068 55 HB2 PHE 531 1HB PHE 531 -2.412 -2.270 -4.631 56 HB3 PHE 531 2HB PHE 531 -3.422 -3.531 -3.932 57 HD1 PHE 531 1HD PHE 531 -1.443 -2.576 -6.890 58 HD2 PHE 531 2HD PHE 531 -3.493 -5.706 -4.863 59 HE1 PHE 531 1HE PHE 531 -0.427 -4.221 -8.411 60 HE2 PHE 531 2HE PHE 531 -2.481 -7.357 -6.380 61 HZ PHE 531 HZ PHE 531 -0.945 -6.616 -8.156 62 H VAL 532 H VAL 532 -5.887 -3.844 -4.022 63 HA VAL 532 HA VAL 532 -6.879 -1.625 -2.355 64 HB VAL 532 HB VAL 532 -8.509 -4.036 -3.156 65 HG11 VAL 532 1HG1 VAL 532 -10.360 -2.405 -2.387 66 HG12 VAL 532 2HG1 VAL 532 -9.399 -3.239 -1.164 67 HG13 VAL 532 3HG1 VAL 532 -9.050 -1.558 -1.565 68 HG21 VAL 532 1HG2 VAL 532 -9.786 -2.299 -4.523 69 HG22 VAL 532 2HG2 VAL 532 -8.351 -1.287 -4.361 70 HG23 VAL 532 3HG2 VAL 532 -8.239 -2.851 -5.167 71 H ALA 533 H ALA 533 -6.305 -1.860 -0.307 72 HA ALA 533 HA ALA 533 -5.158 -4.226 0.733 73 HB1 ALA 533 1HB ALA 533 -5.407 -2.996 2.951 74 HB2 ALA 533 2HB ALA 533 -4.433 -2.216 1.702 75 HB3 ALA 533 3HB ALA 533 -6.083 -1.669 2.005 76 H ILE 534 H ILE 534 -6.110 -5.997 1.478 77 HA ILE 534 HA ILE 534 -8.953 -5.855 2.226 78 HB ILE 534 HB ILE 534 -8.990 -8.310 1.838 79 HG12 ILE 534 1HG1 ILE 534 -6.412 -8.101 0.351 80 HG13 ILE 534 2HG1 ILE 534 -6.348 -8.311 2.097 81 HG21 ILE 534 1HG2 ILE 534 -9.873 -7.209 0.036 82 HG22 ILE 534 2HG2 ILE 534 -8.378 -6.336 -0.302 83 HG23 ILE 534 3HG2 ILE 534 -8.522 -8.038 -0.738 84 HD11 ILE 534 1HD1 ILE 534 -6.246 -10.475 1.317 85 HD12 ILE 534 2HD1 ILE 534 -7.965 -10.282 1.667 86 HD13 ILE 534 3HD1 ILE 534 -7.384 -10.167 0.005 87 H LYS 535 H LYS 535 -5.830 -6.303 3.456 88 HA LYS 535 HA LYS 535 -6.949 -7.327 5.980 89 HB2 LYS 535 1HB LYS 535 -4.254 -8.020 4.795 90 HB3 LYS 535 2HB LYS 535 -4.840 -8.538 6.370 91 HG2 LYS 535 1HG LYS 535 -6.454 -9.186 3.956 92 HG3 LYS 535 2HG LYS 535 -4.990 -10.114 4.287 93 HD2 LYS 535 1HD LYS 535 -5.826 -10.960 6.283 94 HD3 LYS 535 2HD LYS 535 -7.025 -9.673 6.439 95 HE2 LYS 535 1HE LYS 535 -8.091 -11.779 5.844 96 HE3 LYS 535 2HE LYS 535 -8.262 -10.603 4.542 97 HZ1 LYS 535 1HZ LYS 535 -7.650 -12.879 3.805 98 HZ2 LYS 535 2HZ LYS 535 -6.165 -12.700 4.596 99 HZ3 LYS 535 3HZ LYS 535 -6.562 -11.683 3.304 100 HA PRO 536 HA PRO 536 -5.220 -3.591 7.610 101 HB2 PRO 536 1HB PRO 536 -5.558 -4.183 10.238 102 HB3 PRO 536 2HB PRO 536 -6.891 -3.698 9.183 103 HG2 PRO 536 1HG PRO 536 -6.072 -6.440 10.059 104 HG3 PRO 536 2HG PRO 536 -7.698 -5.743 9.940 105 HD2 PRO 536 1HD PRO 536 -6.680 -7.395 8.053 106 HD3 PRO 536 2HD PRO 536 -7.816 -6.088 7.665 107 H TYR 537 H TYR 537 -3.313 -2.886 8.532 108 HA TYR 537 HA TYR 537 -1.547 -4.670 9.928 109 HB2 TYR 537 1HB TYR 537 -1.363 -4.926 7.249 110 HB3 TYR 537 2HB TYR 537 -0.247 -3.588 7.494 111 HD1 TYR 537 1HD TYR 537 1.726 -3.900 9.003 112 HD2 TYR 537 2HD TYR 537 -0.770 -7.145 7.842 113 HE1 TYR 537 1HE TYR 537 3.485 -5.485 9.671 114 HE2 TYR 537 2HE TYR 537 0.981 -8.738 8.507 115 HH TYR 537 HH TYR 537 3.020 -8.993 9.334 116 H GLN 538 H GLN 538 0.305 -3.602 10.794 117 HA GLN 538 HA GLN 538 0.132 -0.662 10.681 118 HB2 GLN 538 1HB GLN 538 0.171 -2.509 12.966 119 HB3 GLN 538 2HB GLN 538 1.304 -1.171 13.103 120 HG2 GLN 538 1HG GLN 538 -0.935 -0.767 14.119 121 HG3 GLN 538 2HG GLN 538 -0.431 0.432 12.930 122 HE21 GLN 538 1HE2 GLN 538 -3.379 0.106 11.188 123 HE22 GLN 538 2HE2 GLN 538 -2.096 1.093 11.793 124 HA PRO 539 HA PRO 539 4.382 -0.494 9.611 125 HB2 PRO 539 1HB PRO 539 5.204 1.730 10.934 126 HB3 PRO 539 2HB PRO 539 4.157 1.790 9.510 127 HG2 PRO 539 1HG PRO 539 3.427 1.978 12.408 128 HG3 PRO 539 2HG PRO 539 2.829 2.933 11.039 129 HD2 PRO 539 1HD PRO 539 1.429 0.874 12.102 130 HD3 PRO 539 2HD PRO 539 1.351 1.293 10.378 131 H GLN 540 H GLN 540 5.975 -1.766 10.301 132 HA GLN 540 HA GLN 540 6.776 -1.634 13.125 133 HB2 GLN 540 1HB GLN 540 5.745 -3.938 11.652 134 HB3 GLN 540 2HB GLN 540 7.300 -4.250 12.412 135 HG2 GLN 540 1HG GLN 540 5.994 -4.820 14.152 136 HG3 GLN 540 2HG GLN 540 6.052 -3.085 14.465 137 HE21 GLN 540 1HE2 GLN 540 2.641 -2.706 14.243 138 HE22 GLN 540 2HE2 GLN 540 4.178 -2.146 14.798 139 H VAL 541 H VAL 541 7.700 -0.976 10.139 140 HA VAL 541 HA VAL 541 10.520 -1.429 10.751 141 HB VAL 541 HB VAL 541 9.426 -2.107 8.024 142 HG11 VAL 541 1HG1 VAL 541 12.091 -1.965 9.258 143 HG12 VAL 541 2HG1 VAL 541 11.788 -3.401 8.278 144 HG13 VAL 541 3HG1 VAL 541 11.609 -1.795 7.571 145 HG21 VAL 541 1HG2 VAL 541 9.732 -4.460 8.609 146 HG22 VAL 541 2HG2 VAL 541 10.164 -3.999 10.256 147 HG23 VAL 541 3HG2 VAL 541 8.536 -3.695 9.654 148 H ASP 542 H ASP 542 11.957 -0.044 9.593 149 HA ASP 542 HA ASP 542 11.058 2.583 9.290 150 HB2 ASP 542 1HB ASP 542 13.455 1.684 9.659 151 HB3 ASP 542 2HB ASP 542 13.520 1.552 7.903 152 H GLY 543 H GLY 543 9.659 3.273 7.810 153 HA2 GLY 543 1HA GLY 543 9.398 3.999 5.511 154 HA3 GLY 543 2HA GLY 543 10.125 2.480 5.006 155 H GLU 544 H GLU 544 8.589 0.851 6.849 156 HA GLU 544 HA GLU 544 6.460 0.124 5.253 157 HB2 GLU 544 1HB GLU 544 7.252 -0.400 8.056 158 HB3 GLU 544 2HB GLU 544 5.568 -0.714 7.662 159 HG2 GLU 544 1HG GLU 544 6.430 -2.093 5.718 160 HG3 GLU 544 2HG GLU 544 8.017 -1.972 6.474 161 H ILE 545 H ILE 545 4.131 0.233 5.699 162 HA ILE 545 HA ILE 545 3.278 2.626 7.157 163 HB ILE 545 HB ILE 545 1.634 2.959 5.135 164 HG12 ILE 545 1HG1 ILE 545 4.045 1.721 3.787 165 HG13 ILE 545 2HG1 ILE 545 2.456 0.973 3.903 166 HG21 ILE 545 1HG2 ILE 545 3.319 4.562 6.012 167 HG22 ILE 545 2HG2 ILE 545 4.503 3.852 4.917 168 HG23 ILE 545 3HG2 ILE 545 3.080 4.665 4.269 169 HD11 ILE 545 1HD1 ILE 545 2.929 3.618 2.564 170 HD12 ILE 545 2HD1 ILE 545 2.987 2.072 1.717 171 HD13 ILE 545 3HD1 ILE 545 1.491 2.600 2.487 172 HA PRO 546 HA PRO 546 -0.122 0.191 8.485 173 HB2 PRO 546 1HB PRO 546 -2.117 2.028 8.616 174 HB3 PRO 546 2HB PRO 546 -0.775 1.986 9.764 175 HG2 PRO 546 1HG PRO 546 -1.156 3.728 7.360 176 HG3 PRO 546 2HG PRO 546 -0.563 4.162 8.973 177 HD2 PRO 546 1HD PRO 546 1.096 3.757 6.873 178 HD3 PRO 546 2HD PRO 546 1.560 3.376 8.543 179 H LEU 547 H LEU 547 -2.328 -0.531 7.938 180 HA LEU 547 HA LEU 547 -3.216 0.045 5.223 181 HB2 LEU 547 1HB LEU 547 -2.353 -2.661 6.201 182 HB3 LEU 547 2HB LEU 547 -3.458 -2.462 4.843 183 HG LEU 547 HG LEU 547 -0.763 -1.150 4.830 184 HD11 LEU 547 1HD1 LEU 547 0.289 -3.095 4.725 185 HD12 LEU 547 2HD1 LEU 547 -0.663 -3.516 3.302 186 HD13 LEU 547 3HD1 LEU 547 -1.237 -3.962 4.908 187 HD21 LEU 547 1HD2 LEU 547 -1.955 -2.269 2.396 188 HD22 LEU 547 2HD2 LEU 547 -1.213 -0.694 2.680 189 HD23 LEU 547 3HD2 LEU 547 -2.891 -0.975 3.146 190 H HIS 548 H HIS 548 -5.379 -0.669 4.787 191 HA HIS 548 HA HIS 548 -6.928 -1.645 7.059 192 HB2 HIS 548 1HB HIS 548 -6.805 1.020 6.757 193 HB3 HIS 548 2HB HIS 548 -8.118 0.675 5.634 194 HD1 HIS 548 1HD HIS 548 -7.423 -0.845 9.051 195 HD2 HIS 548 2HD HIS 548 -10.341 1.321 7.038 196 HE1 HIS 548 1HE HIS 548 -9.354 -0.666 10.654 197 H ARG 549 H ARG 549 -8.997 -2.482 6.483 198 HA ARG 549 HA ARG 549 -9.028 -3.710 3.902 199 HB2 ARG 549 1HB ARG 549 -11.288 -3.664 5.900 200 HB3 ARG 549 2HB ARG 549 -10.985 -4.859 4.646 201 HG2 ARG 549 1HG ARG 549 -9.005 -5.625 5.813 202 HG3 ARG 549 2HG ARG 549 -9.226 -4.378 7.042 203 HD2 ARG 549 1HD ARG 549 -11.657 -5.611 7.055 204 HD3 ARG 549 2HD ARG 549 -10.576 -6.958 6.701 205 HE ARG 549 HE ARG 549 -9.686 -5.341 8.895 206 HH11 ARG 549 1HH1 ARG 549 -11.763 -7.973 7.957 207 HH12 ARG 549 2HH1 ARG 549 -11.783 -8.691 9.534 208 HH21 ARG 549 1HH2 ARG 549 -9.705 -6.276 10.975 209 HH22 ARG 549 2HH2 ARG 549 -10.613 -7.724 11.250 210 H GLY 550 H GLY 550 -9.680 -2.751 2.099 211 HA2 GLY 550 1HA GLY 550 -11.491 -1.854 0.795 212 HA3 GLY 550 2HA GLY 550 -12.034 -0.986 2.223 213 H ASP 551 H ASP 551 -8.731 -0.757 2.086 214 HA ASP 551 HA ASP 551 -8.888 1.993 1.175 215 HB2 ASP 551 1HB ASP 551 -7.138 0.445 2.884 216 HB3 ASP 551 2HB ASP 551 -6.208 1.365 1.704 217 H ARG 552 H ARG 552 -7.698 2.871 -0.533 218 HA ARG 552 HA ARG 552 -7.033 0.935 -2.629 219 HB2 ARG 552 1HB ARG 552 -7.294 3.917 -2.969 220 HB3 ARG 552 2HB ARG 552 -7.381 2.672 -4.207 221 HG2 ARG 552 1HG ARG 552 -9.400 3.051 -2.005 222 HG3 ARG 552 2HG ARG 552 -9.572 3.650 -3.657 223 HD2 ARG 552 1HD ARG 552 -9.074 1.115 -4.235 224 HD3 ARG 552 2HD ARG 552 -9.717 0.871 -2.612 225 HE ARG 552 HE ARG 552 -11.383 2.545 -4.232 226 HH11 ARG 552 1HH1 ARG 552 -10.567 -0.752 -3.465 227 HH12 ARG 552 2HH1 ARG 552 -12.106 -1.382 -3.948 228 HH21 ARG 552 1HH2 ARG 552 -13.414 1.726 -4.871 229 HH22 ARG 552 2HH2 ARG 552 -13.725 0.028 -4.749 230 H VAL 553 H VAL 553 -4.956 0.316 -2.316 231 HA VAL 553 HA VAL 553 -2.911 2.294 -1.707 232 HB VAL 553 HB VAL 553 -2.718 -0.699 -2.070 233 HG11 VAL 553 1HG1 VAL 553 -0.551 -0.253 -2.457 234 HG12 VAL 553 2HG1 VAL 553 -0.673 1.391 -1.827 235 HG13 VAL 553 3HG1 VAL 553 -0.478 0.032 -0.719 236 HG21 VAL 553 1HG2 VAL 553 -3.542 0.935 0.121 237 HG22 VAL 553 2HG2 VAL 553 -3.418 -0.823 0.036 238 HG23 VAL 553 3HG2 VAL 553 -2.025 0.137 0.538 239 H LYS 554 H LYS 554 -1.524 3.138 -3.134 240 HA LYS 554 HA LYS 554 -1.727 2.253 -5.923 241 HB2 LYS 554 1HB LYS 554 -2.017 4.729 -5.016 242 HB3 LYS 554 2HB LYS 554 -0.262 4.732 -5.140 243 HG2 LYS 554 1HG LYS 554 -1.677 3.708 -7.501 244 HG3 LYS 554 2HG LYS 554 -1.938 5.416 -7.143 245 HD2 LYS 554 1HD LYS 554 -0.017 5.778 -8.227 246 HD3 LYS 554 2HD LYS 554 0.778 5.113 -6.800 247 HE2 LYS 554 1HE LYS 554 1.672 3.906 -8.600 248 HE3 LYS 554 2HE LYS 554 0.463 2.832 -7.894 249 HZ1 LYS 554 1HZ LYS 554 0.557 4.007 -10.508 250 HZ2 LYS 554 2HZ LYS 554 -0.936 4.239 -9.748 251 HZ3 LYS 554 3HZ LYS 554 -0.327 2.674 -9.955 252 H VAL 555 H VAL 555 -0.314 0.562 -6.080 253 HA VAL 555 HA VAL 555 2.222 0.431 -4.867 254 HB VAL 555 HB VAL 555 1.221 -0.978 -7.345 255 HG11 VAL 555 1HG1 VAL 555 3.609 -1.571 -5.601 256 HG12 VAL 555 2HG1 VAL 555 3.015 -2.598 -6.907 257 HG13 VAL 555 3HG1 VAL 555 3.649 -0.991 -7.266 258 HG21 VAL 555 1HG2 VAL 555 -0.173 -1.567 -5.525 259 HG22 VAL 555 2HG2 VAL 555 0.977 -2.892 -5.707 260 HG23 VAL 555 3HG2 VAL 555 1.197 -1.702 -4.424 261 H LEU 556 H LEU 556 4.043 1.469 -5.318 262 HA LEU 556 HA LEU 556 4.264 2.902 -7.862 263 HB2 LEU 556 1HB LEU 556 5.867 3.145 -5.321 264 HB3 LEU 556 2HB LEU 556 6.099 4.126 -6.767 265 HG LEU 556 HG LEU 556 3.657 4.116 -4.995 266 HD11 LEU 556 1HD1 LEU 556 6.135 5.465 -4.776 267 HD12 LEU 556 2HD1 LEU 556 4.682 5.670 -3.798 268 HD13 LEU 556 3HD1 LEU 556 4.917 6.650 -5.245 269 HD21 LEU 556 1HD2 LEU 556 3.141 4.493 -7.381 270 HD22 LEU 556 2HD2 LEU 556 4.284 5.837 -7.391 271 HD23 LEU 556 3HD2 LEU 556 2.840 5.914 -6.381 272 H SER 557 H SER 557 5.959 0.560 -5.841 273 HA SER 557 HA SER 557 7.263 -0.563 -8.140 274 HB2 SER 557 1HB SER 557 8.810 1.266 -7.718 275 HB3 SER 557 2HB SER 557 8.928 0.815 -6.018 276 HG SER 557 HG SER 557 10.157 -0.276 -8.225 277 H ILE 558 H ILE 558 8.570 -2.483 -7.560 278 HA ILE 558 HA ILE 558 7.196 -4.058 -5.619 279 HB ILE 558 HB ILE 558 9.729 -4.710 -7.132 280 HG12 ILE 558 1HG1 ILE 558 7.681 -4.141 -8.517 281 HG13 ILE 558 2HG1 ILE 558 8.364 -5.741 -8.787 282 HG21 ILE 558 1HG2 ILE 558 8.568 -7.081 -6.696 283 HG22 ILE 558 2HG2 ILE 558 9.742 -6.367 -5.591 284 HG23 ILE 558 3HG2 ILE 558 8.016 -6.221 -5.259 285 HD11 ILE 558 1HD1 ILE 558 5.740 -5.221 -8.364 286 HD12 ILE 558 2HD1 ILE 558 6.518 -6.777 -8.072 287 HD13 ILE 558 3HD1 ILE 558 6.277 -5.647 -6.739 288 H GLY 559 H GLY 559 7.969 -4.956 -3.701 289 HA2 GLY 559 1HA GLY 559 10.012 -3.341 -2.380 290 HA3 GLY 559 2HA GLY 559 8.894 -4.450 -1.598 291 H GLU 560 H GLU 560 9.980 -6.017 -0.623 292 HA GLU 560 HA GLU 560 11.863 -7.610 -2.144 293 HB2 GLU 560 1HB GLU 560 12.678 -6.096 0.338 294 HB3 GLU 560 2HB GLU 560 13.581 -7.465 -0.299 295 HG2 GLU 560 1HG GLU 560 13.537 -6.048 -2.510 296 HG3 GLU 560 2HG GLU 560 13.287 -4.714 -1.384 297 H GLY 561 H GLY 561 11.101 -9.595 -1.841 298 HA2 GLY 561 1HA GLY 561 10.649 -11.547 -0.670 299 HA3 GLY 561 2HA GLY 561 10.859 -10.658 0.832 300 H GLY 562 H GLY 562 8.614 -10.513 -1.944 301 HA2 GLY 562 1HA GLY 562 6.314 -10.651 -1.999 302 HA3 GLY 562 2HA GLY 562 6.363 -11.237 -0.342 303 H PHE 563 H PHE 563 8.042 -8.344 -0.648 304 HA PHE 563 HA PHE 563 5.890 -6.918 0.700 305 HB2 PHE 563 1HB PHE 563 8.789 -6.800 0.695 306 HB3 PHE 563 2HB PHE 563 8.082 -5.202 0.476 307 HD1 PHE 563 1HD PHE 563 6.265 -4.494 2.149 308 HD2 PHE 563 2HD PHE 563 8.961 -7.721 2.812 309 HE1 PHE 563 1HE PHE 563 5.835 -4.350 4.567 310 HE2 PHE 563 2HE PHE 563 8.535 -7.583 5.231 311 HZ PHE 563 HZ PHE 563 6.970 -5.898 6.111 312 H TRP 564 H TRP 564 5.851 -4.455 0.131 313 HA TRP 564 HA TRP 564 6.187 -3.897 -2.691 314 HB2 TRP 564 1HB TRP 564 3.684 -4.818 -1.703 315 HB3 TRP 564 2HB TRP 564 3.510 -3.108 -2.084 316 HD1 TRP 564 HD TRP 564 5.601 -3.244 -4.621 317 HE1 TRP 564 1HE TRP 564 4.727 -4.260 -6.818 318 HE3 TRP 564 3HE TRP 564 1.652 -5.912 -2.769 319 HZ2 TRP 564 2HZ TRP 564 2.640 -5.965 -7.656 320 HZ3 TRP 564 3HZ TRP 564 0.267 -7.209 -4.335 321 HH2 TRP 564 HH TRP 564 0.752 -7.233 -6.728 322 H GLU 565 H GLU 565 6.463 -1.756 -3.097 323 HA GLU 565 HA GLU 565 6.153 0.066 -0.800 324 HB2 GLU 565 1HB GLU 565 7.955 1.419 -2.029 325 HB3 GLU 565 2HB GLU 565 8.457 -0.056 -1.214 326 HG2 GLU 565 1HG GLU 565 8.405 -1.249 -3.348 327 HG3 GLU 565 2HG GLU 565 7.921 0.238 -4.162 328 H GLY 566 H GLY 566 4.370 1.247 -1.081 329 HA2 GLY 566 1HA GLY 566 4.106 2.775 -3.558 330 HA3 GLY 566 2HA GLY 566 2.763 1.727 -3.122 331 H SER 567 H SER 567 1.355 3.493 -2.925 332 HA SER 567 HA SER 567 1.802 5.109 -0.501 333 HB2 SER 567 1HB SER 567 1.945 6.320 -2.788 334 HB3 SER 567 2HB SER 567 0.194 6.115 -2.838 335 HG SER 567 HG SER 567 0.353 7.979 -1.800 336 H ALA 568 H ALA 568 -0.040 5.626 0.738 337 HA ALA 568 HA ALA 568 -2.648 4.697 0.039 338 HB1 ALA 568 1HB ALA 568 -2.906 2.847 1.417 339 HB2 ALA 568 2HB ALA 568 -1.302 2.603 0.724 340 HB3 ALA 568 3HB ALA 568 -1.468 3.228 2.366 341 H ARG 569 H ARG 569 -4.101 5.907 1.081 342 HA ARG 569 HA ARG 569 -5.039 7.367 2.551 343 HB2 ARG 569 1HB ARG 569 -4.258 5.444 4.128 344 HB3 ARG 569 2HB ARG 569 -3.022 6.590 4.630 345 HG2 ARG 569 1HG ARG 569 -4.828 6.746 6.167 346 HG3 ARG 569 2HG ARG 569 -4.843 8.204 5.173 347 HD2 ARG 569 1HD ARG 569 -6.628 7.299 3.813 348 HD3 ARG 569 2HD ARG 569 -6.566 5.776 4.699 349 HE ARG 569 HE ARG 569 -7.854 6.729 6.321 350 HH11 ARG 569 1HH1 ARG 569 -6.390 9.259 4.430 351 HH12 ARG 569 2HH1 ARG 569 -7.261 10.532 5.220 352 HH21 ARG 569 1HH2 ARG 569 -9.006 8.396 7.368 353 HH22 ARG 569 2HH2 ARG 569 -8.748 10.040 6.890 354 H GLY 570 H GLY 570 -2.607 8.042 0.925 355 HA2 GLY 570 1HA GLY 570 -1.609 10.106 0.527 356 HA3 GLY 570 2HA GLY 570 -2.180 10.655 2.096 357 H HIS 571 H HIS 571 -0.529 7.653 2.062 358 HA HIS 571 HA HIS 571 1.973 8.960 2.892 359 HB2 HIS 571 1HB HIS 571 0.800 6.523 4.240 360 HB3 HIS 571 2HB HIS 571 2.231 7.426 4.729 361 HD1 HIS 571 1HD HIS 571 1.540 10.133 5.221 362 HD2 HIS 571 2HD HIS 571 -1.330 7.176 5.750 363 HE1 HIS 571 1HE HIS 571 -0.196 11.145 6.734 364 H ILE 572 H ILE 572 3.758 8.166 1.969 365 HA ILE 572 HA ILE 572 3.480 5.766 0.304 366 HB ILE 572 HB ILE 572 5.603 7.914 0.240 367 HG12 ILE 572 1HG1 ILE 572 3.904 7.547 -2.111 368 HG13 ILE 572 2HG1 ILE 572 3.001 8.041 -0.683 369 HG21 ILE 572 1HG2 ILE 572 6.826 6.441 -0.887 370 HG22 ILE 572 2HG2 ILE 572 5.516 5.262 -0.872 371 HG23 ILE 572 3HG2 ILE 572 5.598 6.473 -2.152 372 HD11 ILE 572 1HD1 ILE 572 5.239 9.690 -0.724 373 HD12 ILE 572 2HD1 ILE 572 4.704 9.587 -2.402 374 HD13 ILE 572 3HD1 ILE 572 3.583 10.120 -1.150 375 H GLY 573 H GLY 573 4.371 3.920 0.941 376 HA2 GLY 573 1HA GLY 573 6.947 3.798 2.179 377 HA3 GLY 573 2HA GLY 573 5.658 3.478 3.330 378 H TRP 574 H TRP 574 6.733 1.373 3.507 379 HA TRP 574 HA TRP 574 6.268 -0.417 1.235 380 HB2 TRP 574 1HB TRP 574 8.071 -0.440 3.592 381 HB3 TRP 574 2HB TRP 574 7.476 -2.005 3.043 382 HD1 TRP 574 HD TRP 574 8.264 -2.834 0.610 383 HE1 TRP 574 1HE TRP 574 10.267 -2.155 -0.858 384 HE3 TRP 574 3HE TRP 574 9.538 1.531 2.946 385 HZ2 TRP 574 2HZ TRP 574 12.139 -0.048 -1.005 386 HZ3 TRP 574 3HZ TRP 574 11.448 2.818 2.078 387 HH2 TRP 574 HH TRP 574 12.721 2.043 0.144 388 H PHE 575 H PHE 575 5.409 -2.609 1.736 389 HA PHE 575 HA PHE 575 3.931 -3.147 4.069 390 HB2 PHE 575 1HB PHE 575 1.645 -2.873 3.229 391 HB3 PHE 575 2HB PHE 575 2.490 -1.329 3.253 392 HD1 PHE 575 1HD PHE 575 1.281 -4.047 1.078 393 HD2 PHE 575 2HD PHE 575 2.867 -0.101 1.266 394 HE1 PHE 575 1HE PHE 575 0.734 -3.716 -1.298 395 HE2 PHE 575 2HE PHE 575 2.321 0.235 -1.109 396 HZ PHE 575 HZ PHE 575 1.252 -1.573 -2.394 397 HA PRO 576 HA PRO 576 3.995 -7.157 2.284 398 HB2 PRO 576 1HB PRO 576 1.898 -8.323 3.555 399 HB3 PRO 576 2HB PRO 576 3.427 -7.956 4.362 400 HG2 PRO 576 1HG PRO 576 0.854 -6.426 4.391 401 HG3 PRO 576 2HG PRO 576 1.953 -6.791 5.734 402 HD2 PRO 576 1HD PRO 576 1.926 -4.388 4.486 403 HD3 PRO 576 2HD PRO 576 3.404 -5.089 5.174 404 H ALA 577 H ALA 577 3.319 -7.967 0.401 405 HA ALA 577 HA ALA 577 1.201 -6.818 -1.064 406 HB1 ALA 577 1HB ALA 577 2.603 -9.441 -1.565 407 HB2 ALA 577 2HB ALA 577 1.655 -8.519 -2.733 408 HB3 ALA 577 3HB ALA 577 3.167 -7.860 -2.107 409 H GLU 578 H GLU 578 1.384 -9.590 1.050 410 HA GLU 578 HA GLU 578 -0.956 -10.919 0.236 411 HB2 GLU 578 1HB GLU 578 -0.906 -11.895 2.557 412 HB3 GLU 578 2HB GLU 578 0.578 -12.086 1.635 413 HG2 GLU 578 1HG GLU 578 1.757 -10.655 2.963 414 HG3 GLU 578 2HG GLU 578 0.330 -9.731 3.426 415 H CYS 579 H CYS 579 -0.518 -7.960 1.851 416 HA CYS 579 HA CYS 579 -3.107 -7.998 3.165 417 HB2 CYS 579 1HB CYS 579 -0.721 -6.257 3.197 418 HB3 CYS 579 2HB CYS 579 -2.260 -5.427 3.397 419 HG CYS 579 HG CYS 579 -1.094 -7.960 5.382 420 H VAL 580 H VAL 580 -1.781 -7.093 0.151 421 HA VAL 580 HA VAL 580 -4.149 -5.458 -0.474 422 HB VAL 580 HB VAL 580 -2.775 -4.748 -2.500 423 HG11 VAL 580 1HG1 VAL 580 -1.867 -2.940 -1.352 424 HG12 VAL 580 2HG1 VAL 580 -3.156 -3.491 -0.279 425 HG13 VAL 580 3HG1 VAL 580 -1.478 -3.911 0.067 426 HG21 VAL 580 1HG2 VAL 580 -0.473 -5.776 -0.852 427 HG22 VAL 580 2HG2 VAL 580 -1.132 -6.630 -2.246 428 HG23 VAL 580 3HG2 VAL 580 -0.410 -5.034 -2.451 429 H GLU 581 H GLU 581 -5.236 -5.795 -2.467 430 HA GLU 581 HA GLU 581 -4.592 -8.190 -3.989 431 HB2 GLU 581 1HB GLU 581 -6.058 -8.968 -2.151 432 HB3 GLU 581 2HB GLU 581 -7.290 -7.827 -2.675 433 HG2 GLU 581 1HG GLU 581 -7.896 -9.950 -3.521 434 HG3 GLU 581 2HG GLU 581 -7.311 -8.997 -4.884 435 H GLU 582 H GLU 582 -5.411 -8.188 -6.074 436 HA GLU 582 HA GLU 582 -5.892 -5.688 -7.253 437 HB2 GLU 582 1HB GLU 582 -6.175 -8.517 -8.219 438 HB3 GLU 582 2HB GLU 582 -6.671 -7.170 -9.234 439 HG2 GLU 582 1HG GLU 582 -4.247 -6.301 -8.616 440 HG3 GLU 582 2HG GLU 582 -3.961 -8.027 -8.403 441 H VAL 583 H VAL 583 -7.750 -4.775 -8.155 442 HA VAL 583 HA VAL 583 -10.072 -4.835 -6.669 443 HB VAL 583 HB VAL 583 -9.922 -4.155 -9.608 444 HG11 VAL 583 1HG1 VAL 583 -12.195 -4.319 -8.818 445 HG12 VAL 583 2HG1 VAL 583 -11.822 -3.297 -7.429 446 HG13 VAL 583 3HG1 VAL 583 -11.783 -2.622 -9.058 447 HG21 VAL 583 1HG2 VAL 583 -9.155 -2.603 -7.159 448 HG22 VAL 583 2HG2 VAL 583 -8.240 -2.850 -8.645 449 HG23 VAL 583 3HG2 VAL 583 -9.649 -1.790 -8.644 450 H GLN 584 H GLN 584 -12.108 -5.769 -6.927 451 HA GLN 584 HA GLN 584 -12.263 -8.031 -8.801 452 HB2 GLN 584 1HB GLN 584 -13.267 -9.425 -7.139 453 HB3 GLN 584 2HB GLN 584 -11.790 -8.765 -6.449 454 HG2 GLN 584 1HG GLN 584 -13.092 -7.107 -5.227 455 HG3 GLN 584 2HG GLN 584 -14.576 -7.750 -5.929 456 HE21 GLN 584 1HE2 GLN 584 -12.561 -10.020 -3.172 457 HE22 GLN 584 2HE2 GLN 584 -11.698 -8.977 -4.245 458 H SER 585 H SER 585 -14.124 -8.222 -9.914 459 HA SER 585 HA SER 585 -16.597 -7.090 -9.011 460 HB2 SER 585 1HB SER 585 -14.862 -5.566 -10.834 461 HB3 SER 585 2HB SER 585 -16.518 -5.763 -11.407 462 HG SER 585 HG SER 585 -16.514 -3.959 -10.145 Start of MODEL 23 1 H1 MET 525 H MET 525 1.745 -9.132 -15.151 2 HA MET 525 HA MET 525 2.433 -9.165 -12.547 3 HB2 MET 525 1HB MET 525 4.347 -10.641 -13.155 4 HB3 MET 525 2HB MET 525 2.840 -11.081 -13.947 5 HG2 MET 525 1HG MET 525 3.983 -11.102 -15.844 6 HG3 MET 525 2HG MET 525 4.027 -9.344 -15.730 7 HE1 MET 525 1HE MET 525 5.528 -12.425 -14.155 8 HE2 MET 525 2HE MET 525 6.446 -12.615 -15.649 9 HE3 MET 525 3HE MET 525 7.273 -12.165 -14.157 10 H VAL 526 H VAL 526 2.850 -6.479 -13.555 11 HA VAL 526 HA VAL 526 5.600 -6.072 -12.588 12 HB VAL 526 HB VAL 526 5.633 -4.024 -14.127 13 HG11 VAL 526 1HG1 VAL 526 6.683 -5.236 -15.844 14 HG12 VAL 526 2HG1 VAL 526 6.885 -6.229 -14.399 15 HG13 VAL 526 3HG1 VAL 526 5.654 -6.646 -15.593 16 HG21 VAL 526 1HG2 VAL 526 3.178 -4.209 -14.650 17 HG22 VAL 526 2HG2 VAL 526 4.235 -4.019 -16.049 18 HG23 VAL 526 3HG2 VAL 526 3.574 -5.606 -15.653 19 HA PRO 527 HA PRO 527 3.934 -3.153 -9.765 20 HB2 PRO 527 1HB PRO 527 5.949 -1.341 -9.609 21 HB3 PRO 527 2HB PRO 527 6.053 -2.955 -8.897 22 HG2 PRO 527 1HG PRO 527 7.163 -1.955 -11.491 23 HG3 PRO 527 2HG PRO 527 7.923 -3.001 -10.278 24 HD2 PRO 527 1HD PRO 527 6.824 -3.971 -12.554 25 HD3 PRO 527 2HD PRO 527 6.827 -4.884 -11.031 26 H GLY 528 H GLY 528 3.219 -0.932 -9.503 27 HA2 GLY 528 1HA GLY 528 2.852 1.269 -10.366 28 HA3 GLY 528 2HA GLY 528 3.186 0.655 -11.978 29 H ARG 529 H ARG 529 1.041 -0.811 -9.594 30 HA ARG 529 HA ARG 529 -1.237 -0.146 -11.340 31 HB2 ARG 529 1HB ARG 529 -0.621 -2.748 -9.940 32 HB3 ARG 529 2HB ARG 529 -2.201 -2.368 -10.609 33 HG2 ARG 529 1HG ARG 529 0.361 -2.468 -12.187 34 HG3 ARG 529 2HG ARG 529 -0.835 -3.762 -12.103 35 HD2 ARG 529 1HD ARG 529 -2.524 -2.214 -13.024 36 HD3 ARG 529 2HD ARG 529 -1.275 -0.980 -13.178 37 HE ARG 529 HE ARG 529 -0.475 -2.059 -15.039 38 HH11 ARG 529 1HH1 ARG 529 -2.707 -4.137 -13.358 39 HH12 ARG 529 2HH1 ARG 529 -2.765 -5.317 -14.626 40 HH21 ARG 529 1HH2 ARG 529 -0.543 -3.607 -16.715 41 HH22 ARG 529 2HH2 ARG 529 -1.534 -5.015 -16.534 42 H LEU 530 H LEU 530 -3.378 -0.611 -10.097 43 HA LEU 530 HA LEU 530 -3.147 0.747 -7.504 44 HB2 LEU 530 1HB LEU 530 -5.298 0.595 -9.576 45 HB3 LEU 530 2HB LEU 530 -5.700 1.012 -7.910 46 HG LEU 530 HG LEU 530 -5.488 3.014 -9.249 47 HD11 LEU 530 1HD1 LEU 530 -3.929 4.231 -7.886 48 HD12 LEU 530 2HD1 LEU 530 -3.097 2.744 -7.435 49 HD13 LEU 530 3HD1 LEU 530 -4.747 3.032 -6.885 50 HD21 LEU 530 1HD2 LEU 530 -3.635 1.709 -10.695 51 HD22 LEU 530 2HD2 LEU 530 -2.586 2.699 -9.679 52 HD23 LEU 530 3HD2 LEU 530 -3.811 3.463 -10.693 53 H PHE 531 H PHE 531 -3.120 -0.625 -5.848 54 HA PHE 531 HA PHE 531 -4.783 -3.042 -5.974 55 HB2 PHE 531 1HB PHE 531 -2.222 -2.360 -4.638 56 HB3 PHE 531 2HB PHE 531 -3.301 -3.445 -3.768 57 HD1 PHE 531 1HD PHE 531 -3.675 -5.680 -4.511 58 HD2 PHE 531 2HD PHE 531 -1.296 -3.005 -6.813 59 HE1 PHE 531 1HE PHE 531 -2.869 -7.569 -5.866 60 HE2 PHE 531 2HE PHE 531 -0.487 -4.889 -8.173 61 HZ PHE 531 HZ PHE 531 -1.273 -7.175 -7.701 62 H VAL 532 H VAL 532 -5.836 -3.722 -3.938 63 HA VAL 532 HA VAL 532 -6.700 -1.413 -2.322 64 HB VAL 532 HB VAL 532 -8.485 -3.723 -3.085 65 HG11 VAL 532 1HG1 VAL 532 -10.157 -2.680 -1.943 66 HG12 VAL 532 2HG1 VAL 532 -8.782 -2.116 -0.993 67 HG13 VAL 532 3HG1 VAL 532 -9.494 -1.069 -2.221 68 HG21 VAL 532 1HG2 VAL 532 -9.592 -1.783 -4.466 69 HG22 VAL 532 2HG2 VAL 532 -7.953 -1.130 -4.458 70 HG23 VAL 532 3HG2 VAL 532 -8.264 -2.726 -5.143 71 H ALA 533 H ALA 533 -6.163 -1.654 -0.265 72 HA ALA 533 HA ALA 533 -5.095 -3.974 0.860 73 HB1 ALA 533 1HB ALA 533 -6.024 -1.363 1.887 74 HB2 ALA 533 2HB ALA 533 -5.889 -2.673 3.062 75 HB3 ALA 533 3HB ALA 533 -4.482 -2.192 2.113 76 H ILE 534 H ILE 534 -5.956 -5.747 1.743 77 HA ILE 534 HA ILE 534 -8.849 -5.751 2.307 78 HB ILE 534 HB ILE 534 -8.910 -8.121 1.652 79 HG12 ILE 534 1HG1 ILE 534 -6.352 -8.006 0.200 80 HG13 ILE 534 2HG1 ILE 534 -6.193 -8.065 1.952 81 HG21 ILE 534 1HG2 ILE 534 -8.392 -7.692 -0.850 82 HG22 ILE 534 2HG2 ILE 534 -9.648 -6.744 -0.056 83 HG23 ILE 534 3HG2 ILE 534 -8.053 -6.044 -0.321 84 HD11 ILE 534 1HD1 ILE 534 -6.392 -10.233 0.374 85 HD12 ILE 534 2HD1 ILE 534 -6.882 -10.195 2.069 86 HD13 ILE 534 3HD1 ILE 534 -8.086 -9.988 0.796 87 H LYS 535 H LYS 535 -5.884 -5.889 3.680 88 HA LYS 535 HA LYS 535 -6.931 -7.292 6.025 89 HB2 LYS 535 1HB LYS 535 -4.122 -7.790 5.049 90 HB3 LYS 535 2HB LYS 535 -4.997 -8.642 6.314 91 HG2 LYS 535 1HG LYS 535 -6.620 -9.124 4.227 92 HG3 LYS 535 2HG LYS 535 -5.071 -8.990 3.392 93 HD2 LYS 535 1HD LYS 535 -5.249 -11.264 3.931 94 HD3 LYS 535 2HD LYS 535 -4.182 -10.603 5.172 95 HE2 LYS 535 1HE LYS 535 -6.234 -10.345 6.621 96 HE3 LYS 535 2HE LYS 535 -7.104 -11.292 5.415 97 HZ1 LYS 535 1HZ LYS 535 -4.607 -12.341 6.562 98 HZ2 LYS 535 2HZ LYS 535 -5.925 -13.182 5.917 99 HZ3 LYS 535 3HZ LYS 535 -6.045 -12.464 7.444 100 HA PRO 536 HA PRO 536 -5.298 -3.561 7.820 101 HB2 PRO 536 1HB PRO 536 -5.981 -4.155 10.380 102 HB3 PRO 536 2HB PRO 536 -7.150 -3.592 9.180 103 HG2 PRO 536 1HG PRO 536 -6.583 -6.380 10.109 104 HG3 PRO 536 2HG PRO 536 -8.145 -5.598 9.805 105 HD2 PRO 536 1HD PRO 536 -6.992 -7.287 8.030 106 HD3 PRO 536 2HD PRO 536 -8.005 -5.918 7.527 107 H TYR 537 H TYR 537 -3.266 -3.126 8.395 108 HA TYR 537 HA TYR 537 -1.846 -4.867 10.239 109 HB2 TYR 537 1HB TYR 537 -1.490 -5.248 7.523 110 HB3 TYR 537 2HB TYR 537 -0.147 -4.196 7.957 111 HD1 TYR 537 1HD TYR 537 -1.829 -7.355 9.003 112 HD2 TYR 537 2HD TYR 537 1.786 -5.115 8.869 113 HE1 TYR 537 1HE TYR 537 -0.600 -9.297 9.877 114 HE2 TYR 537 2HE TYR 537 3.025 -7.052 9.741 115 HH TYR 537 HH TYR 537 1.425 -10.159 10.296 116 H GLN 538 H GLN 538 0.080 -3.902 11.108 117 HA GLN 538 HA GLN 538 0.065 -0.967 10.871 118 HB2 GLN 538 1HB GLN 538 0.507 -2.814 13.176 119 HB3 GLN 538 2HB GLN 538 1.319 -1.255 13.178 120 HG2 GLN 538 1HG GLN 538 -1.642 -1.539 12.782 121 HG3 GLN 538 2HG GLN 538 -0.899 -1.380 14.373 122 HE21 GLN 538 1HE2 GLN 538 -1.545 1.835 12.070 123 HE22 GLN 538 2HE2 GLN 538 -2.060 0.241 11.647 124 HA PRO 539 HA PRO 539 4.222 -0.892 9.478 125 HB2 PRO 539 1HB PRO 539 5.234 1.262 10.784 126 HB3 PRO 539 2HB PRO 539 4.073 1.401 9.459 127 HG2 PRO 539 1HG PRO 539 3.600 1.525 12.412 128 HG3 PRO 539 2HG PRO 539 2.922 2.542 11.127 129 HD2 PRO 539 1HD PRO 539 1.543 0.499 12.249 130 HD3 PRO 539 2HD PRO 539 1.335 0.973 10.551 131 H GLN 540 H GLN 540 6.010 -2.008 9.958 132 HA GLN 540 HA GLN 540 6.863 -2.178 12.767 133 HB2 GLN 540 1HB GLN 540 6.131 -4.367 10.916 134 HB3 GLN 540 2HB GLN 540 7.591 -4.618 11.864 135 HG2 GLN 540 1HG GLN 540 6.023 -5.535 13.243 136 HG3 GLN 540 2HG GLN 540 6.070 -3.883 13.855 137 HE21 GLN 540 1HE2 GLN 540 2.777 -5.304 11.923 138 HE22 GLN 540 2HE2 GLN 540 4.292 -6.130 11.838 139 H VAL 541 H VAL 541 7.677 -1.032 9.905 140 HA VAL 541 HA VAL 541 10.534 -1.340 10.421 141 HB VAL 541 HB VAL 541 9.431 -1.725 7.640 142 HG11 VAL 541 1HG1 VAL 541 11.832 -2.734 7.447 143 HG12 VAL 541 2HG1 VAL 541 11.597 -0.986 7.374 144 HG13 VAL 541 3HG1 VAL 541 12.151 -1.742 8.869 145 HG21 VAL 541 1HG2 VAL 541 10.288 -3.779 9.669 146 HG22 VAL 541 2HG2 VAL 541 8.714 -3.627 8.890 147 HG23 VAL 541 3HG2 VAL 541 10.121 -4.116 7.946 148 H ASP 542 H ASP 542 11.830 0.319 9.509 149 HA ASP 542 HA ASP 542 10.672 2.871 9.538 150 HB2 ASP 542 1HB ASP 542 13.119 2.216 9.937 151 HB3 ASP 542 2HB ASP 542 13.288 2.233 8.183 152 H GLY 543 H GLY 543 9.294 3.654 8.087 153 HA2 GLY 543 1HA GLY 543 9.035 4.642 5.897 154 HA3 GLY 543 2HA GLY 543 9.935 3.286 5.234 155 H GLU 544 H GLU 544 8.510 1.272 6.754 156 HA GLU 544 HA GLU 544 6.533 0.564 4.970 157 HB2 GLU 544 1HB GLU 544 7.252 -0.247 7.726 158 HB3 GLU 544 2HB GLU 544 5.631 -0.672 7.195 159 HG2 GLU 544 1HG GLU 544 6.744 -1.674 5.137 160 HG3 GLU 544 2HG GLU 544 8.258 -1.521 6.027 161 H ILE 545 H ILE 545 4.165 0.273 5.474 162 HA ILE 545 HA ILE 545 3.039 2.443 7.079 163 HB ILE 545 HB ILE 545 1.374 2.747 5.072 164 HG12 ILE 545 1HG1 ILE 545 3.910 1.884 3.663 165 HG13 ILE 545 2HG1 ILE 545 2.401 0.979 3.689 166 HG21 ILE 545 1HG2 ILE 545 3.934 4.085 4.485 167 HG22 ILE 545 2HG2 ILE 545 2.336 4.767 4.779 168 HG23 ILE 545 3HG2 ILE 545 3.336 4.249 6.135 169 HD11 ILE 545 1HD1 ILE 545 1.290 2.675 2.430 170 HD12 ILE 545 2HD1 ILE 545 2.687 3.744 2.549 171 HD13 ILE 545 3HD1 ILE 545 2.792 2.258 1.605 172 HA PRO 546 HA PRO 546 0.083 -0.607 8.211 173 HB2 PRO 546 1HB PRO 546 -1.998 0.991 8.913 174 HB3 PRO 546 2HB PRO 546 -0.540 0.824 9.899 175 HG2 PRO 546 1HG PRO 546 -1.283 2.988 7.969 176 HG3 PRO 546 2HG PRO 546 -0.549 3.127 9.577 177 HD2 PRO 546 1HD PRO 546 0.898 3.304 7.295 178 HD3 PRO 546 2HD PRO 546 1.561 2.625 8.795 179 H LEU 547 H LEU 547 -2.126 -1.374 7.729 180 HA LEU 547 HA LEU 547 -3.096 -0.462 5.104 181 HB2 LEU 547 1HB LEU 547 -2.801 -3.301 6.072 182 HB3 LEU 547 2HB LEU 547 -3.649 -2.831 4.600 183 HG LEU 547 HG LEU 547 -1.555 -3.586 3.878 184 HD11 LEU 547 1HD1 LEU 547 -0.719 -0.769 4.013 185 HD12 LEU 547 2HD1 LEU 547 -2.332 -1.055 3.362 186 HD13 LEU 547 3HD1 LEU 547 -0.932 -1.829 2.619 187 HD21 LEU 547 1HD2 LEU 547 -0.704 -2.914 6.444 188 HD22 LEU 547 2HD2 LEU 547 0.251 -1.896 5.365 189 HD23 LEU 547 3HD2 LEU 547 0.259 -3.648 5.161 190 H HIS 548 H HIS 548 -5.353 -0.926 4.676 191 HA HIS 548 HA HIS 548 -7.001 -1.612 6.981 192 HB2 HIS 548 1HB HIS 548 -6.530 0.967 6.749 193 HB3 HIS 548 2HB HIS 548 -7.743 0.866 5.476 194 HD1 HIS 548 1HD HIS 548 -10.120 -0.184 6.302 195 HD2 HIS 548 2HD HIS 548 -7.556 1.230 9.249 196 HE1 HIS 548 1HE HIS 548 -11.553 0.133 8.344 197 H ARG 549 H ARG 549 -8.925 -2.550 6.447 198 HA ARG 549 HA ARG 549 -9.213 -3.640 3.867 199 HB2 ARG 549 1HB ARG 549 -11.223 -3.422 6.115 200 HB3 ARG 549 2HB ARG 549 -11.429 -4.416 4.679 201 HG2 ARG 549 1HG ARG 549 -9.194 -5.499 5.395 202 HG3 ARG 549 2HG ARG 549 -9.540 -4.773 6.967 203 HD2 ARG 549 1HD ARG 549 -10.353 -7.079 6.835 204 HD3 ARG 549 2HD ARG 549 -11.675 -5.934 7.052 205 HE ARG 549 HE ARG 549 -11.163 -6.602 4.304 206 HH11 ARG 549 1HH1 ARG 549 -12.843 -7.523 7.211 207 HH12 ARG 549 2HH1 ARG 549 -14.073 -8.412 6.373 208 HH21 ARG 549 1HH2 ARG 549 -12.775 -7.769 3.191 209 HH22 ARG 549 2HH2 ARG 549 -14.032 -8.551 4.086 210 H GLY 550 H GLY 550 -9.666 -2.472 2.114 211 HA2 GLY 550 1HA GLY 550 -11.438 -1.449 0.821 212 HA3 GLY 550 2HA GLY 550 -11.930 -0.589 2.272 213 H ASP 551 H ASP 551 -8.615 -0.595 2.141 214 HA ASP 551 HA ASP 551 -8.568 2.191 1.352 215 HB2 ASP 551 1HB ASP 551 -6.714 0.322 2.725 216 HB3 ASP 551 2HB ASP 551 -5.979 1.648 1.828 217 H ARG 552 H ARG 552 -7.624 3.041 -0.445 218 HA ARG 552 HA ARG 552 -7.002 1.150 -2.582 219 HB2 ARG 552 1HB ARG 552 -8.273 3.703 -2.455 220 HB3 ARG 552 2HB ARG 552 -6.856 3.845 -3.486 221 HG2 ARG 552 1HG ARG 552 -8.871 3.291 -4.755 222 HG3 ARG 552 2HG ARG 552 -7.646 2.026 -4.876 223 HD2 ARG 552 1HD ARG 552 -8.953 0.508 -3.869 224 HD3 ARG 552 2HD ARG 552 -9.508 1.658 -2.654 225 HE ARG 552 HE ARG 552 -10.840 0.937 -5.084 226 HH11 ARG 552 1HH1 ARG 552 -10.413 3.460 -2.724 227 HH12 ARG 552 2HH1 ARG 552 -11.947 4.198 -3.044 228 HH21 ARG 552 1HH2 ARG 552 -12.863 1.901 -5.515 229 HH22 ARG 552 2HH2 ARG 552 -13.340 3.310 -4.631 230 H VAL 553 H VAL 553 -4.927 0.477 -2.255 231 HA VAL 553 HA VAL 553 -2.828 2.431 -1.754 232 HB VAL 553 HB VAL 553 -2.694 -0.575 -2.024 233 HG11 VAL 553 1HG1 VAL 553 -0.426 0.138 -0.733 234 HG12 VAL 553 2HG1 VAL 553 -0.528 -0.149 -2.471 235 HG13 VAL 553 3HG1 VAL 553 -0.614 1.497 -1.840 236 HG21 VAL 553 1HG2 VAL 553 -3.395 1.177 0.150 237 HG22 VAL 553 2HG2 VAL 553 -3.439 -0.585 0.072 238 HG23 VAL 553 3HG2 VAL 553 -1.954 0.240 0.546 239 H LYS 554 H LYS 554 -1.407 3.155 -3.226 240 HA LYS 554 HA LYS 554 -1.712 2.192 -5.983 241 HB2 LYS 554 1HB LYS 554 -2.114 4.533 -5.833 242 HB3 LYS 554 2HB LYS 554 -0.689 4.786 -4.834 243 HG2 LYS 554 1HG LYS 554 -0.311 5.587 -7.088 244 HG3 LYS 554 2HG LYS 554 0.743 4.217 -6.732 245 HD2 LYS 554 1HD LYS 554 -0.951 2.751 -7.873 246 HD3 LYS 554 2HD LYS 554 -1.774 4.225 -8.390 247 HE2 LYS 554 1HE LYS 554 -0.050 4.845 -9.802 248 HE3 LYS 554 2HE LYS 554 1.144 3.880 -8.936 249 HZ1 LYS 554 1HZ LYS 554 -0.331 1.923 -9.772 250 HZ2 LYS 554 2HZ LYS 554 0.816 2.622 -10.799 251 HZ3 LYS 554 3HZ LYS 554 -0.817 3.037 -10.949 252 H VAL 555 H VAL 555 -0.296 0.622 -6.422 253 HA VAL 555 HA VAL 555 2.234 0.361 -5.149 254 HB VAL 555 HB VAL 555 1.199 -0.970 -7.656 255 HG11 VAL 555 1HG1 VAL 555 2.942 -2.640 -7.262 256 HG12 VAL 555 2HG1 VAL 555 3.635 -1.039 -7.531 257 HG13 VAL 555 3HG1 VAL 555 3.539 -1.696 -5.897 258 HG21 VAL 555 1HG2 VAL 555 1.144 -1.775 -4.756 259 HG22 VAL 555 2HG2 VAL 555 -0.227 -1.535 -5.839 260 HG23 VAL 555 3HG2 VAL 555 0.859 -2.904 -6.081 261 H LEU 556 H LEU 556 4.260 0.883 -5.839 262 HA LEU 556 HA LEU 556 4.459 2.419 -8.346 263 HB2 LEU 556 1HB LEU 556 5.949 2.904 -5.771 264 HB3 LEU 556 2HB LEU 556 6.175 3.797 -7.273 265 HG LEU 556 HG LEU 556 3.731 3.809 -5.507 266 HD11 LEU 556 1HD1 LEU 556 5.440 5.166 -4.573 267 HD12 LEU 556 2HD1 LEU 556 4.306 6.248 -5.378 268 HD13 LEU 556 3HD1 LEU 556 5.843 5.855 -6.146 269 HD21 LEU 556 1HD2 LEU 556 4.199 5.264 -8.107 270 HD22 LEU 556 2HD2 LEU 556 2.780 5.398 -7.068 271 HD23 LEU 556 3HD2 LEU 556 3.130 3.878 -7.893 272 H SER 557 H SER 557 6.356 0.586 -5.954 273 HA SER 557 HA SER 557 7.787 -0.704 -8.149 274 HB2 SER 557 1HB SER 557 9.100 1.322 -7.332 275 HB3 SER 557 2HB SER 557 9.303 0.457 -5.809 276 HG SER 557 HG SER 557 10.767 -0.744 -6.715 277 H ILE 558 H ILE 558 8.721 -2.713 -7.604 278 HA ILE 558 HA ILE 558 7.286 -4.193 -5.664 279 HB ILE 558 HB ILE 558 9.835 -4.990 -7.074 280 HG12 ILE 558 1HG1 ILE 558 8.027 -4.298 -8.632 281 HG13 ILE 558 2HG1 ILE 558 8.420 -6.008 -8.761 282 HG21 ILE 558 1HG2 ILE 558 8.500 -7.279 -6.735 283 HG22 ILE 558 2HG2 ILE 558 9.641 -6.651 -5.546 284 HG23 ILE 558 3HG2 ILE 558 7.910 -6.397 -5.326 285 HD11 ILE 558 1HD1 ILE 558 5.909 -4.894 -8.434 286 HD12 ILE 558 2HD1 ILE 558 6.343 -6.597 -8.273 287 HD13 ILE 558 3HD1 ILE 558 6.308 -5.557 -6.849 288 H GLY 559 H GLY 559 7.943 -5.098 -3.715 289 HA2 GLY 559 1HA GLY 559 10.069 -3.611 -2.366 290 HA3 GLY 559 2HA GLY 559 8.836 -4.593 -1.590 291 H GLU 560 H GLU 560 10.155 -5.857 -0.353 292 HA GLU 560 HA GLU 560 11.805 -7.782 -1.831 293 HB2 GLU 560 1HB GLU 560 13.127 -5.865 -0.681 294 HB3 GLU 560 2HB GLU 560 12.734 -6.705 0.813 295 HG2 GLU 560 1HG GLU 560 13.875 -8.683 0.063 296 HG3 GLU 560 2HG GLU 560 14.162 -7.960 -1.518 297 H GLY 561 H GLY 561 11.229 -9.795 -1.363 298 HA2 GLY 561 1HA GLY 561 10.570 -11.638 -0.139 299 HA3 GLY 561 2HA GLY 561 10.683 -10.655 1.315 300 H GLY 562 H GLY 562 8.657 -10.630 -1.628 301 HA2 GLY 562 1HA GLY 562 6.368 -10.698 -1.859 302 HA3 GLY 562 2HA GLY 562 6.277 -11.259 -0.196 303 H PHE 563 H PHE 563 7.993 -8.344 -0.636 304 HA PHE 563 HA PHE 563 5.806 -6.877 0.631 305 HB2 PHE 563 1HB PHE 563 8.729 -6.713 0.662 306 HB3 PHE 563 2HB PHE 563 7.947 -5.144 0.501 307 HD1 PHE 563 1HD PHE 563 8.550 -7.996 2.676 308 HD2 PHE 563 2HD PHE 563 6.493 -4.293 2.264 309 HE1 PHE 563 1HE PHE 563 8.121 -7.970 5.098 310 HE2 PHE 563 2HE PHE 563 6.060 -4.260 4.686 311 HZ PHE 563 HZ PHE 563 6.875 -6.100 6.106 312 H TRP 564 H TRP 564 5.880 -4.409 -0.027 313 HA TRP 564 HA TRP 564 6.253 -4.022 -2.880 314 HB2 TRP 564 1HB TRP 564 3.721 -4.752 -1.859 315 HB3 TRP 564 2HB TRP 564 3.629 -3.036 -2.244 316 HD1 TRP 564 HD TRP 564 5.550 -3.137 -4.839 317 HE1 TRP 564 1HE TRP 564 4.629 -4.173 -7.007 318 HE3 TRP 564 3HE TRP 564 1.774 -5.956 -2.853 319 HZ2 TRP 564 2HZ TRP 564 2.574 -5.950 -7.775 320 HZ3 TRP 564 3HZ TRP 564 0.377 -7.294 -4.373 321 HH2 TRP 564 HH TRP 564 0.770 -7.290 -6.782 322 H GLU 565 H GLU 565 6.009 -1.776 -3.529 323 HA GLU 565 HA GLU 565 6.206 0.103 -1.268 324 HB2 GLU 565 1HB GLU 565 8.338 -0.578 -2.762 325 HB3 GLU 565 2HB GLU 565 7.703 0.732 -3.749 326 HG2 GLU 565 1HG GLU 565 8.087 1.130 -0.818 327 HG3 GLU 565 2HG GLU 565 9.465 1.225 -1.914 328 H GLY 566 H GLY 566 4.538 1.450 -1.320 329 HA2 GLY 566 1HA GLY 566 3.917 2.922 -3.720 330 HA3 GLY 566 2HA GLY 566 2.654 1.797 -3.246 331 H SER 567 H SER 567 1.271 3.640 -2.981 332 HA SER 567 HA SER 567 1.748 5.044 -0.435 333 HB2 SER 567 1HB SER 567 1.977 6.541 -2.426 334 HB3 SER 567 2HB SER 567 0.300 6.183 -2.837 335 HG SER 567 HG SER 567 -0.373 7.397 -1.222 336 H ALA 568 H ALA 568 -0.052 5.433 0.879 337 HA ALA 568 HA ALA 568 -2.691 4.629 0.117 338 HB1 ALA 568 1HB ALA 568 -1.446 2.928 2.255 339 HB2 ALA 568 2HB ALA 568 -2.971 2.688 1.402 340 HB3 ALA 568 3HB ALA 568 -1.442 2.449 0.558 341 H ARG 569 H ARG 569 -4.178 5.612 1.371 342 HA ARG 569 HA ARG 569 -5.087 6.921 2.994 343 HB2 ARG 569 1HB ARG 569 -4.131 4.950 4.389 344 HB3 ARG 569 2HB ARG 569 -2.890 6.099 4.868 345 HG2 ARG 569 1HG ARG 569 -4.537 6.140 6.554 346 HG3 ARG 569 2HG ARG 569 -4.743 7.623 5.620 347 HD2 ARG 569 1HD ARG 569 -6.437 6.136 4.262 348 HD3 ARG 569 2HD ARG 569 -6.473 5.202 5.758 349 HE ARG 569 HE ARG 569 -6.830 7.895 6.405 350 HH11 ARG 569 1HH1 ARG 569 -8.489 5.344 4.714 351 HH12 ARG 569 2HH1 ARG 569 -10.069 5.970 5.052 352 HH21 ARG 569 1HH2 ARG 569 -8.904 8.730 6.857 353 HH22 ARG 569 2HH2 ARG 569 -10.304 7.896 6.270 354 H GLY 570 H GLY 570 -2.800 7.828 1.268 355 HA2 GLY 570 1HA GLY 570 -1.921 9.956 0.945 356 HA3 GLY 570 2HA GLY 570 -2.444 10.387 2.566 357 H HIS 571 H HIS 571 -0.640 7.489 2.291 358 HA HIS 571 HA HIS 571 1.825 8.889 3.083 359 HB2 HIS 571 1HB HIS 571 0.500 6.536 4.421 360 HB3 HIS 571 2HB HIS 571 2.215 6.876 4.629 361 HD1 HIS 571 1HD HIS 571 2.407 9.745 5.199 362 HD2 HIS 571 2HD HIS 571 -0.795 7.487 6.581 363 HE1 HIS 571 1HE HIS 571 1.472 11.027 7.150 364 H ILE 572 H ILE 572 3.611 8.248 2.047 365 HA ILE 572 HA ILE 572 3.387 5.944 0.243 366 HB ILE 572 HB ILE 572 5.396 8.199 0.229 367 HG12 ILE 572 1HG1 ILE 572 3.612 7.922 -2.066 368 HG13 ILE 572 2HG1 ILE 572 2.742 8.244 -0.571 369 HG21 ILE 572 1HG2 ILE 572 5.745 7.216 -2.152 370 HG22 ILE 572 2HG2 ILE 572 6.527 6.452 -0.770 371 HG23 ILE 572 3HG2 ILE 572 5.059 5.751 -1.449 372 HD11 ILE 572 1HD1 ILE 572 3.972 10.096 -2.224 373 HD12 ILE 572 2HD1 ILE 572 3.344 10.374 -0.599 374 HD13 ILE 572 3HD1 ILE 572 5.044 9.961 -0.830 375 H GLY 573 H GLY 573 4.368 4.111 0.767 376 HA2 GLY 573 1HA GLY 573 7.018 4.009 1.802 377 HA3 GLY 573 2HA GLY 573 5.844 3.667 3.064 378 H TRP 574 H TRP 574 6.795 1.557 3.211 379 HA TRP 574 HA TRP 574 6.255 -0.221 0.943 380 HB2 TRP 574 1HB TRP 574 8.138 -0.269 3.236 381 HB3 TRP 574 2HB TRP 574 7.511 -1.827 2.702 382 HD1 TRP 574 HD TRP 574 8.092 -2.551 0.135 383 HE1 TRP 574 1HE TRP 574 10.094 -1.925 -1.358 384 HE3 TRP 574 3HE TRP 574 9.761 1.550 2.692 385 HZ2 TRP 574 2HZ TRP 574 12.113 0.046 -1.440 386 HZ3 TRP 574 3HZ TRP 574 11.733 2.749 1.841 387 HH2 TRP 574 HH TRP 574 12.883 2.011 -0.182 388 H PHE 575 H PHE 575 5.412 -2.420 1.489 389 HA PHE 575 HA PHE 575 3.977 -2.894 3.874 390 HB2 PHE 575 1HB PHE 575 1.682 -2.687 3.033 391 HB3 PHE 575 2HB PHE 575 2.507 -1.132 3.002 392 HD1 PHE 575 1HD PHE 575 1.398 -3.962 0.905 393 HD2 PHE 575 2HD PHE 575 2.793 0.058 0.993 394 HE1 PHE 575 1HE PHE 575 0.840 -3.720 -1.479 395 HE2 PHE 575 2HE PHE 575 2.237 0.307 -1.391 396 HZ PHE 575 HZ PHE 575 1.258 -1.583 -2.630 397 HA PRO 576 HA PRO 576 4.101 -6.970 2.247 398 HB2 PRO 576 1HB PRO 576 2.057 -8.124 3.611 399 HB3 PRO 576 2HB PRO 576 3.595 -7.696 4.368 400 HG2 PRO 576 1HG PRO 576 0.994 -6.215 4.396 401 HG3 PRO 576 2HG PRO 576 2.130 -6.504 5.725 402 HD2 PRO 576 1HD PRO 576 2.026 -4.155 4.385 403 HD3 PRO 576 2HD PRO 576 3.533 -4.800 5.065 404 H ALA 577 H ALA 577 3.400 -7.865 0.412 405 HA ALA 577 HA ALA 577 1.245 -6.817 -1.062 406 HB1 ALA 577 1HB ALA 577 1.775 -8.384 -2.717 407 HB2 ALA 577 2HB ALA 577 3.311 -8.058 -1.913 408 HB3 ALA 577 3HB ALA 577 2.421 -9.536 -1.548 409 H GLU 578 H GLU 578 1.460 -9.429 1.230 410 HA GLU 578 HA GLU 578 -0.897 -10.809 0.521 411 HB2 GLU 578 1HB GLU 578 -0.788 -11.689 2.871 412 HB3 GLU 578 2HB GLU 578 0.685 -11.903 1.937 413 HG2 GLU 578 1HG GLU 578 1.863 -10.386 3.178 414 HG3 GLU 578 2HG GLU 578 0.422 -9.488 3.650 415 H CYS 579 H CYS 579 -0.436 -7.755 1.891 416 HA CYS 579 HA CYS 579 -3.097 -7.742 3.128 417 HB2 CYS 579 1HB CYS 579 -0.689 -5.961 3.397 418 HB3 CYS 579 2HB CYS 579 -2.280 -5.405 3.900 419 HG CYS 579 HG CYS 579 -0.447 -6.488 5.973 420 H VAL 580 H VAL 580 -2.341 -7.599 0.180 421 HA VAL 580 HA VAL 580 -4.188 -5.443 -0.464 422 HB VAL 580 HB VAL 580 -2.670 -4.639 -2.311 423 HG11 VAL 580 1HG1 VAL 580 -3.043 -3.578 0.013 424 HG12 VAL 580 2HG1 VAL 580 -1.405 -4.137 0.357 425 HG13 VAL 580 3HG1 VAL 580 -1.693 -3.012 -0.971 426 HG21 VAL 580 1HG2 VAL 580 -0.354 -5.112 -2.266 427 HG22 VAL 580 2HG2 VAL 580 -0.474 -5.927 -0.707 428 HG23 VAL 580 3HG2 VAL 580 -1.170 -6.671 -2.147 429 H GLU 581 H GLU 581 -5.440 -5.885 -2.205 430 HA GLU 581 HA GLU 581 -4.675 -8.133 -3.934 431 HB2 GLU 581 1HB GLU 581 -6.200 -9.094 -2.347 432 HB3 GLU 581 2HB GLU 581 -7.324 -7.756 -2.536 433 HG2 GLU 581 1HG GLU 581 -7.690 -8.446 -4.880 434 HG3 GLU 581 2HG GLU 581 -6.647 -9.839 -4.600 435 H GLU 582 H GLU 582 -5.458 -8.050 -6.047 436 HA GLU 582 HA GLU 582 -5.790 -5.481 -7.145 437 HB2 GLU 582 1HB GLU 582 -6.205 -8.247 -8.265 438 HB3 GLU 582 2HB GLU 582 -6.474 -6.803 -9.230 439 HG2 GLU 582 1HG GLU 582 -4.041 -6.219 -8.383 440 HG3 GLU 582 2HG GLU 582 -3.942 -7.971 -8.225 441 H VAL 583 H VAL 583 -7.580 -4.474 -8.089 442 HA VAL 583 HA VAL 583 -9.976 -4.576 -6.689 443 HB VAL 583 HB VAL 583 -10.939 -3.196 -8.457 444 HG11 VAL 583 1HG1 VAL 583 -9.791 -1.708 -7.221 445 HG12 VAL 583 2HG1 VAL 583 -8.306 -2.659 -7.269 446 HG13 VAL 583 3HG1 VAL 583 -8.737 -1.625 -8.632 447 HG21 VAL 583 1HG2 VAL 583 -8.532 -4.113 -10.001 448 HG22 VAL 583 2HG2 VAL 583 -10.233 -4.185 -10.462 449 HG23 VAL 583 3HG2 VAL 583 -9.396 -2.634 -10.419 450 H GLN 584 H GLN 584 -12.099 -5.236 -7.346 451 HA GLN 584 HA GLN 584 -12.109 -7.481 -9.251 452 HB2 GLN 584 1HB GLN 584 -13.855 -8.525 -7.773 453 HB3 GLN 584 2HB GLN 584 -12.239 -8.460 -7.081 454 HG2 GLN 584 1HG GLN 584 -12.944 -6.386 -5.868 455 HG3 GLN 584 2HG GLN 584 -14.586 -6.700 -6.427 456 HE21 GLN 584 1HE2 GLN 584 -12.943 -8.862 -3.408 457 HE22 GLN 584 2HE2 GLN 584 -11.998 -7.782 -4.369 458 H SER 585 H SER 585 -13.276 -6.919 -10.959 459 HA SER 585 HA SER 585 -15.249 -4.852 -10.872 460 HB2 SER 585 1HB SER 585 -13.928 -5.166 -12.885 461 HB3 SER 585 2HB SER 585 -14.518 -6.818 -13.055 462 HG SER 585 HG SER 585 -16.424 -6.092 -13.729 Start of MODEL 24 1 H1 MET 525 H MET 525 -0.326 -6.630 -15.031 2 HA MET 525 HA MET 525 0.516 -7.930 -12.543 3 HB2 MET 525 1HB MET 525 0.691 -9.254 -14.601 4 HB3 MET 525 2HB MET 525 1.734 -8.027 -15.310 5 HG2 MET 525 1HG MET 525 3.252 -8.471 -13.274 6 HG3 MET 525 2HG MET 525 2.321 -9.957 -13.106 7 HE1 MET 525 1HE MET 525 3.312 -12.159 -15.949 8 HE2 MET 525 2HE MET 525 3.433 -12.184 -14.190 9 HE3 MET 525 3HE MET 525 1.954 -11.616 -14.964 10 H VAL 526 H VAL 526 1.540 -5.475 -14.876 11 HA VAL 526 HA VAL 526 4.016 -4.804 -13.866 12 HB VAL 526 HB VAL 526 3.462 -2.437 -14.661 13 HG11 VAL 526 1HG1 VAL 526 3.433 -3.158 -17.055 14 HG12 VAL 526 2HG1 VAL 526 4.677 -3.935 -16.072 15 HG13 VAL 526 3HG1 VAL 526 3.207 -4.815 -16.494 16 HG21 VAL 526 1HG2 VAL 526 1.067 -3.657 -15.960 17 HG22 VAL 526 2HG2 VAL 526 0.928 -2.993 -14.331 18 HG23 VAL 526 3HG2 VAL 526 1.443 -1.959 -15.663 19 HA PRO 527 HA PRO 527 3.450 -2.958 -9.923 20 HB2 PRO 527 1HB PRO 527 5.358 -1.028 -9.952 21 HB3 PRO 527 2HB PRO 527 5.735 -2.749 -9.819 22 HG2 PRO 527 1HG PRO 527 5.814 -0.973 -12.228 23 HG3 PRO 527 2HG PRO 527 6.977 -2.207 -11.709 24 HD2 PRO 527 1HD PRO 527 5.139 -2.660 -13.645 25 HD3 PRO 527 2HD PRO 527 5.709 -3.937 -12.552 26 H GLY 528 H GLY 528 3.278 -0.950 -12.773 27 HA2 GLY 528 1HA GLY 528 2.299 1.379 -11.390 28 HA3 GLY 528 2HA GLY 528 2.356 1.144 -13.130 29 H ARG 529 H ARG 529 0.664 -0.340 -10.360 30 HA ARG 529 HA ARG 529 -1.865 0.091 -11.790 31 HB2 ARG 529 1HB ARG 529 -0.879 -2.474 -10.555 32 HB3 ARG 529 2HB ARG 529 -2.586 -2.174 -10.850 33 HG2 ARG 529 1HG ARG 529 -0.499 -2.024 -13.007 34 HG3 ARG 529 2HG ARG 529 -1.383 -3.499 -12.612 35 HD2 ARG 529 1HD ARG 529 -2.937 -1.014 -13.112 36 HD3 ARG 529 2HD ARG 529 -2.214 -1.835 -14.494 37 HE ARG 529 HE ARG 529 -3.641 -3.652 -12.838 38 HH11 ARG 529 1HH1 ARG 529 -4.058 -1.181 -15.255 39 HH12 ARG 529 2HH1 ARG 529 -5.562 -1.819 -15.835 40 HH21 ARG 529 1HH2 ARG 529 -5.621 -4.501 -13.592 41 HH22 ARG 529 2HH2 ARG 529 -6.449 -3.706 -14.887 42 H LEU 530 H LEU 530 -3.693 -0.756 -10.091 43 HA LEU 530 HA LEU 530 -3.089 0.594 -7.542 44 HB2 LEU 530 1HB LEU 530 -5.541 0.721 -9.270 45 HB3 LEU 530 2HB LEU 530 -5.584 1.148 -7.562 46 HG LEU 530 HG LEU 530 -3.774 2.852 -8.096 47 HD11 LEU 530 1HD1 LEU 530 -4.181 3.541 -10.641 48 HD12 LEU 530 2HD1 LEU 530 -4.371 1.795 -10.792 49 HD13 LEU 530 3HD1 LEU 530 -2.878 2.465 -10.138 50 HD21 LEU 530 1HD2 LEU 530 -5.386 4.494 -8.848 51 HD22 LEU 530 2HD2 LEU 530 -6.136 3.413 -7.674 52 HD23 LEU 530 3HD2 LEU 530 -6.474 3.217 -9.394 53 H PHE 531 H PHE 531 -3.176 -0.746 -5.876 54 HA PHE 531 HA PHE 531 -4.829 -3.164 -6.081 55 HB2 PHE 531 1HB PHE 531 -2.267 -2.514 -4.749 56 HB3 PHE 531 2HB PHE 531 -3.346 -3.581 -3.857 57 HD1 PHE 531 1HD PHE 531 -3.670 -5.830 -4.513 58 HD2 PHE 531 2HD PHE 531 -1.463 -3.171 -6.998 59 HE1 PHE 531 1HE PHE 531 -2.903 -7.737 -5.866 60 HE2 PHE 531 2HE PHE 531 -0.693 -5.073 -8.355 61 HZ PHE 531 HZ PHE 531 -1.413 -7.360 -7.790 62 H VAL 532 H VAL 532 -5.896 -3.908 -4.078 63 HA VAL 532 HA VAL 532 -6.856 -1.633 -2.466 64 HB VAL 532 HB VAL 532 -8.455 -4.093 -3.177 65 HG11 VAL 532 1HG1 VAL 532 -8.856 -1.817 -1.389 66 HG12 VAL 532 2HG1 VAL 532 -10.201 -2.100 -2.495 67 HG13 VAL 532 3HG1 VAL 532 -9.654 -3.389 -1.423 68 HG21 VAL 532 1HG2 VAL 532 -8.462 -1.344 -4.410 69 HG22 VAL 532 2HG2 VAL 532 -8.102 -2.876 -5.206 70 HG23 VAL 532 3HG2 VAL 532 -9.740 -2.536 -4.651 71 H ALA 533 H ALA 533 -6.276 -1.766 -0.410 72 HA ALA 533 HA ALA 533 -5.107 -4.067 0.744 73 HB1 ALA 533 1HB ALA 533 -5.338 -2.755 2.893 74 HB2 ALA 533 2HB ALA 533 -4.438 -1.968 1.596 75 HB3 ALA 533 3HB ALA 533 -6.101 -1.489 1.930 76 H ILE 534 H ILE 534 -6.053 -5.824 1.522 77 HA ILE 534 HA ILE 534 -8.889 -5.674 2.297 78 HB ILE 534 HB ILE 534 -8.889 -8.160 1.980 79 HG12 ILE 534 1HG1 ILE 534 -6.345 -7.803 0.423 80 HG13 ILE 534 2HG1 ILE 534 -6.289 -8.188 2.140 81 HG21 ILE 534 1HG2 ILE 534 -9.063 -6.099 0.099 82 HG22 ILE 534 2HG2 ILE 534 -8.139 -7.380 -0.684 83 HG23 ILE 534 3HG2 ILE 534 -9.739 -7.723 -0.025 84 HD11 ILE 534 1HD1 ILE 534 -8.085 -9.912 0.635 85 HD12 ILE 534 2HD1 ILE 534 -6.408 -9.997 0.096 86 HD13 ILE 534 3HD1 ILE 534 -6.811 -10.320 1.783 87 H LYS 535 H LYS 535 -5.723 -6.210 3.452 88 HA LYS 535 HA LYS 535 -6.806 -7.196 6.010 89 HB2 LYS 535 1HB LYS 535 -4.096 -7.784 4.804 90 HB3 LYS 535 2HB LYS 535 -4.643 -8.318 6.388 91 HG2 LYS 535 1HG LYS 535 -6.224 -9.042 3.965 92 HG3 LYS 535 2HG LYS 535 -4.748 -9.931 4.351 93 HD2 LYS 535 1HD LYS 535 -5.697 -10.979 6.100 94 HD3 LYS 535 2HD LYS 535 -6.556 -9.530 6.626 95 HE2 LYS 535 1HE LYS 535 -7.704 -10.357 4.176 96 HE3 LYS 535 2HE LYS 535 -7.551 -11.789 5.194 97 HZ1 LYS 535 1HZ LYS 535 -9.623 -10.860 5.708 98 HZ2 LYS 535 2HZ LYS 535 -9.014 -9.284 5.778 99 HZ3 LYS 535 3HZ LYS 535 -8.620 -10.397 6.990 100 HA PRO 536 HA PRO 536 -5.224 -3.360 7.576 101 HB2 PRO 536 1HB PRO 536 -5.658 -3.890 10.203 102 HB3 PRO 536 2HB PRO 536 -6.954 -3.449 9.084 103 HG2 PRO 536 1HG PRO 536 -6.136 -6.157 10.062 104 HG3 PRO 536 2HG PRO 536 -7.764 -5.485 9.862 105 HD2 PRO 536 1HD PRO 536 -6.651 -7.172 8.059 106 HD3 PRO 536 2HD PRO 536 -7.787 -5.890 7.593 107 H TYR 537 H TYR 537 -3.215 -2.728 8.076 108 HA TYR 537 HA TYR 537 -1.518 -4.420 9.739 109 HB2 TYR 537 1HB TYR 537 -1.255 -4.845 7.149 110 HB3 TYR 537 2HB TYR 537 -0.311 -3.361 7.216 111 HD1 TYR 537 1HD TYR 537 1.763 -3.272 8.563 112 HD2 TYR 537 2HD TYR 537 -0.406 -6.895 8.041 113 HE1 TYR 537 1HE TYR 537 3.726 -4.549 9.314 114 HE2 TYR 537 2HE TYR 537 1.551 -8.182 8.791 115 HH TYR 537 HH TYR 537 4.610 -6.574 9.590 116 H GLN 538 H GLN 538 0.312 -3.319 10.616 117 HA GLN 538 HA GLN 538 0.113 -0.383 10.452 118 HB2 GLN 538 1HB GLN 538 0.175 -2.196 12.778 119 HB3 GLN 538 2HB GLN 538 1.219 -0.786 12.900 120 HG2 GLN 538 1HG GLN 538 -1.132 -0.583 13.831 121 HG3 GLN 538 2HG GLN 538 -0.574 0.700 12.759 122 HE21 GLN 538 1HE2 GLN 538 -3.288 0.373 10.675 123 HE22 GLN 538 2HE2 GLN 538 -2.053 1.348 11.389 124 HA PRO 539 HA PRO 539 4.386 -0.192 9.478 125 HB2 PRO 539 1HB PRO 539 5.167 2.047 10.800 126 HB3 PRO 539 2HB PRO 539 4.149 2.091 9.356 127 HG2 PRO 539 1HG PRO 539 3.359 2.294 12.236 128 HG3 PRO 539 2HG PRO 539 2.784 3.236 10.849 129 HD2 PRO 539 1HD PRO 539 1.373 1.176 11.896 130 HD3 PRO 539 2HD PRO 539 1.329 1.583 10.169 131 H GLN 540 H GLN 540 5.527 -1.854 10.349 132 HA GLN 540 HA GLN 540 6.437 -1.551 13.135 133 HB2 GLN 540 1HB GLN 540 5.163 -3.745 11.852 134 HB3 GLN 540 2HB GLN 540 6.818 -4.224 12.206 135 HG2 GLN 540 1HG GLN 540 5.337 -4.837 14.018 136 HG3 GLN 540 2HG GLN 540 6.499 -3.622 14.546 137 HE21 GLN 540 1HE2 GLN 540 2.564 -2.570 14.104 138 HE22 GLN 540 2HE2 GLN 540 3.249 -3.826 13.136 139 H VAL 541 H VAL 541 7.449 -1.002 10.147 140 HA VAL 541 HA VAL 541 10.237 -1.571 10.834 141 HB VAL 541 HB VAL 541 9.193 -2.138 8.064 142 HG11 VAL 541 1HG1 VAL 541 11.415 -1.951 7.722 143 HG12 VAL 541 2HG1 VAL 541 11.809 -2.236 9.417 144 HG13 VAL 541 3HG1 VAL 541 11.439 -3.595 8.356 145 HG21 VAL 541 1HG2 VAL 541 9.691 -4.585 8.880 146 HG22 VAL 541 2HG2 VAL 541 9.328 -3.901 10.464 147 HG23 VAL 541 3HG2 VAL 541 8.122 -3.836 9.179 148 H ASP 542 H ASP 542 11.771 -0.264 9.686 149 HA ASP 542 HA ASP 542 10.957 2.416 9.376 150 HB2 ASP 542 1HB ASP 542 13.295 2.686 8.370 151 HB3 ASP 542 2HB ASP 542 13.203 2.069 10.018 152 H GLY 543 H GLY 543 9.696 3.127 7.786 153 HA2 GLY 543 1HA GLY 543 9.628 3.853 5.477 154 HA3 GLY 543 2HA GLY 543 10.378 2.328 5.030 155 H GLU 544 H GLU 544 8.487 1.015 7.052 156 HA GLU 544 HA GLU 544 6.537 0.203 5.180 157 HB2 GLU 544 1HB GLU 544 7.209 -0.389 7.970 158 HB3 GLU 544 2HB GLU 544 5.491 -0.512 7.621 159 HG2 GLU 544 1HG GLU 544 6.332 -1.906 5.565 160 HG3 GLU 544 2HG GLU 544 7.762 -2.121 6.575 161 H ILE 545 H ILE 545 4.175 0.353 5.503 162 HA ILE 545 HA ILE 545 3.327 2.846 6.802 163 HB ILE 545 HB ILE 545 1.702 2.977 4.712 164 HG12 ILE 545 1HG1 ILE 545 4.213 1.762 3.541 165 HG13 ILE 545 2HG1 ILE 545 2.664 0.937 3.668 166 HG21 ILE 545 1HG2 ILE 545 3.467 4.610 5.615 167 HG22 ILE 545 2HG2 ILE 545 4.505 3.970 4.342 168 HG23 ILE 545 3HG2 ILE 545 2.984 4.758 3.925 169 HD11 ILE 545 1HD1 ILE 545 3.307 1.992 1.429 170 HD12 ILE 545 2HD1 ILE 545 1.682 2.282 2.049 171 HD13 ILE 545 3HD1 ILE 545 2.918 3.530 2.199 172 HA PRO 546 HA PRO 546 -0.122 0.571 8.283 173 HB2 PRO 546 1HB PRO 546 -2.090 2.440 8.243 174 HB3 PRO 546 2HB PRO 546 -0.761 2.470 9.406 175 HG2 PRO 546 1HG PRO 546 -1.090 4.020 6.866 176 HG3 PRO 546 2HG PRO 546 -0.508 4.573 8.447 177 HD2 PRO 546 1HD PRO 546 1.166 3.978 6.404 178 HD3 PRO 546 2HD PRO 546 1.607 3.725 8.106 179 H LEU 547 H LEU 547 -2.337 -0.155 7.770 180 HA LEU 547 HA LEU 547 -3.218 0.231 5.025 181 HB2 LEU 547 1HB LEU 547 -2.311 -2.405 6.143 182 HB3 LEU 547 2HB LEU 547 -3.426 -2.296 4.782 183 HG LEU 547 HG LEU 547 -0.721 -0.989 4.716 184 HD11 LEU 547 1HD1 LEU 547 -0.786 -3.422 3.224 185 HD12 LEU 547 2HD1 LEU 547 -1.189 -3.761 4.907 186 HD13 LEU 547 3HD1 LEU 547 0.318 -2.934 4.511 187 HD21 LEU 547 1HD2 LEU 547 -1.183 -0.534 2.570 188 HD22 LEU 547 2HD2 LEU 547 -2.863 -0.783 3.051 189 HD23 LEU 547 3HD2 LEU 547 -1.956 -2.097 2.300 190 H HIS 548 H HIS 548 -5.377 -0.492 4.644 191 HA HIS 548 HA HIS 548 -6.905 -1.406 6.954 192 HB2 HIS 548 1HB HIS 548 -6.795 1.253 6.560 193 HB3 HIS 548 2HB HIS 548 -8.126 0.860 5.477 194 HD1 HIS 548 1HD HIS 548 -10.368 0.666 6.529 195 HD2 HIS 548 2HD HIS 548 -7.301 0.330 9.312 196 HE1 HIS 548 1HE HIS 548 -11.502 0.580 8.772 197 H ARG 549 H ARG 549 -8.988 -2.249 6.416 198 HA ARG 549 HA ARG 549 -9.027 -3.566 3.879 199 HB2 ARG 549 1HB ARG 549 -11.310 -3.455 5.843 200 HB3 ARG 549 2HB ARG 549 -10.944 -4.716 4.673 201 HG2 ARG 549 1HG ARG 549 -8.746 -4.967 6.048 202 HG3 ARG 549 2HG ARG 549 -9.671 -4.148 7.307 203 HD2 ARG 549 1HD ARG 549 -10.235 -6.782 5.978 204 HD3 ARG 549 2HD ARG 549 -9.993 -6.446 7.692 205 HE ARG 549 HE ARG 549 -12.439 -6.227 6.219 206 HH11 ARG 549 1HH1 ARG 549 -10.661 -5.022 8.959 207 HH12 ARG 549 2HH1 ARG 549 -12.078 -4.535 9.829 208 HH21 ARG 549 1HH2 ARG 549 -14.312 -5.590 7.355 209 HH22 ARG 549 2HH2 ARG 549 -14.154 -4.860 8.916 210 H GLY 550 H GLY 550 -9.743 -2.729 2.039 211 HA2 GLY 550 1HA GLY 550 -11.510 -1.847 0.702 212 HA3 GLY 550 2HA GLY 550 -12.089 -0.962 2.106 213 H ASP 551 H ASP 551 -8.787 -0.679 1.997 214 HA ASP 551 HA ASP 551 -8.983 2.051 1.038 215 HB2 ASP 551 1HB ASP 551 -7.243 0.580 2.810 216 HB3 ASP 551 2HB ASP 551 -6.295 1.455 1.610 217 H ARG 552 H ARG 552 -7.990 2.887 -0.758 218 HA ARG 552 HA ARG 552 -7.175 0.927 -2.767 219 HB2 ARG 552 1HB ARG 552 -7.588 3.885 -3.184 220 HB3 ARG 552 2HB ARG 552 -7.582 2.613 -4.399 221 HG2 ARG 552 1HG ARG 552 -9.664 3.023 -2.262 222 HG3 ARG 552 2HG ARG 552 -9.835 3.390 -3.980 223 HD2 ARG 552 1HD ARG 552 -9.171 0.853 -4.238 224 HD3 ARG 552 2HD ARG 552 -9.785 0.757 -2.588 225 HE ARG 552 HE ARG 552 -11.323 1.011 -4.967 226 HH11 ARG 552 1HH1 ARG 552 -11.221 1.928 -1.610 227 HH12 ARG 552 2HH1 ARG 552 -12.940 2.086 -1.465 228 HH21 ARG 552 1HH2 ARG 552 -13.588 1.215 -4.789 229 HH22 ARG 552 2HH2 ARG 552 -14.286 1.679 -3.275 230 H VAL 553 H VAL 553 -5.072 0.413 -2.426 231 HA VAL 553 HA VAL 553 -3.119 2.500 -1.886 232 HB VAL 553 HB VAL 553 -2.768 -0.487 -2.167 233 HG11 VAL 553 1HG1 VAL 553 -0.625 0.095 -2.529 234 HG12 VAL 553 2HG1 VAL 553 -0.853 1.728 -1.900 235 HG13 VAL 553 3HG1 VAL 553 -0.605 0.380 -0.789 236 HG21 VAL 553 1HG2 VAL 553 -3.557 -0.588 -0.093 237 HG22 VAL 553 2HG2 VAL 553 -2.179 0.378 0.436 238 HG23 VAL 553 3HG2 VAL 553 -3.692 1.168 -0.010 239 H LYS 554 H LYS 554 -1.468 3.103 -3.245 240 HA LYS 554 HA LYS 554 -1.746 2.231 -6.043 241 HB2 LYS 554 1HB LYS 554 -2.218 4.616 -5.660 242 HB3 LYS 554 2HB LYS 554 -0.620 4.817 -4.952 243 HG2 LYS 554 1HG LYS 554 -0.252 5.578 -7.074 244 HG3 LYS 554 2HG LYS 554 0.191 3.879 -7.255 245 HD2 LYS 554 1HD LYS 554 -1.845 3.355 -8.318 246 HD3 LYS 554 2HD LYS 554 -2.590 4.875 -7.818 247 HE2 LYS 554 1HE LYS 554 -2.082 5.144 -10.101 248 HE3 LYS 554 2HE LYS 554 -0.831 6.033 -9.232 249 HZ1 LYS 554 1HZ LYS 554 -0.194 4.439 -11.158 250 HZ2 LYS 554 2HZ LYS 554 -0.349 3.233 -9.982 251 HZ3 LYS 554 3HZ LYS 554 0.761 4.490 -9.763 252 H VAL 555 H VAL 555 -0.277 0.700 -6.449 253 HA VAL 555 HA VAL 555 2.214 0.481 -5.103 254 HB VAL 555 HB VAL 555 1.303 -0.816 -7.675 255 HG11 VAL 555 1HG1 VAL 555 3.599 -1.525 -5.852 256 HG12 VAL 555 2HG1 VAL 555 3.077 -2.446 -7.264 257 HG13 VAL 555 3HG1 VAL 555 3.735 -0.822 -7.463 258 HG21 VAL 555 1HG2 VAL 555 0.946 -2.793 -6.171 259 HG22 VAL 555 2HG2 VAL 555 1.186 -1.710 -4.799 260 HG23 VAL 555 3HG2 VAL 555 -0.164 -1.449 -5.904 261 H LEU 556 H LEU 556 4.277 0.979 -5.765 262 HA LEU 556 HA LEU 556 4.511 2.626 -8.196 263 HB2 LEU 556 1HB LEU 556 6.042 3.038 -5.636 264 HB3 LEU 556 2HB LEU 556 6.092 4.050 -7.077 265 HG LEU 556 HG LEU 556 3.585 3.695 -5.455 266 HD11 LEU 556 1HD1 LEU 556 4.202 5.228 -3.939 267 HD12 LEU 556 2HD1 LEU 556 5.114 6.176 -5.112 268 HD13 LEU 556 3HD1 LEU 556 5.841 4.746 -4.380 269 HD21 LEU 556 1HD2 LEU 556 4.248 5.008 -7.890 270 HD22 LEU 556 2HD2 LEU 556 3.857 6.233 -6.683 271 HD23 LEU 556 3HD2 LEU 556 2.698 4.954 -7.050 272 H SER 557 H SER 557 6.212 0.542 -5.891 273 HA SER 557 HA SER 557 7.753 -0.596 -8.073 274 HB2 SER 557 1HB SER 557 9.026 1.421 -7.107 275 HB3 SER 557 2HB SER 557 9.258 0.426 -5.670 276 HG SER 557 HG SER 557 10.033 -0.275 -8.310 277 H ILE 558 H ILE 558 8.608 -2.640 -7.609 278 HA ILE 558 HA ILE 558 7.161 -4.158 -5.710 279 HB ILE 558 HB ILE 558 9.684 -4.954 -7.167 280 HG12 ILE 558 1HG1 ILE 558 7.868 -4.170 -8.678 281 HG13 ILE 558 2HG1 ILE 558 8.243 -5.878 -8.881 282 HG21 ILE 558 1HG2 ILE 558 9.483 -6.688 -5.735 283 HG22 ILE 558 2HG2 ILE 558 7.778 -6.369 -5.421 284 HG23 ILE 558 3HG2 ILE 558 8.259 -7.220 -6.889 285 HD11 ILE 558 1HD1 ILE 558 5.746 -4.756 -8.493 286 HD12 ILE 558 2HD1 ILE 558 6.165 -6.467 -8.395 287 HD13 ILE 558 3HD1 ILE 558 6.150 -5.478 -6.935 288 H GLY 559 H GLY 559 7.822 -5.154 -3.803 289 HA2 GLY 559 1HA GLY 559 9.968 -3.745 -2.408 290 HA3 GLY 559 2HA GLY 559 8.738 -4.761 -1.668 291 H GLU 560 H GLU 560 10.254 -5.924 -0.466 292 HA GLU 560 HA GLU 560 11.812 -7.847 -2.056 293 HB2 GLU 560 1HB GLU 560 13.312 -6.135 -1.083 294 HB3 GLU 560 2HB GLU 560 12.722 -6.551 0.521 295 HG2 GLU 560 1HG GLU 560 14.763 -7.667 0.307 296 HG3 GLU 560 2HG GLU 560 13.534 -8.905 0.052 297 H GLY 561 H GLY 561 11.191 -9.861 -1.666 298 HA2 GLY 561 1HA GLY 561 10.570 -11.750 -0.492 299 HA3 GLY 561 2HA GLY 561 10.758 -10.834 0.995 300 H GLY 562 H GLY 562 8.606 -10.669 -1.852 301 HA2 GLY 562 1HA GLY 562 6.307 -10.724 -1.982 302 HA3 GLY 562 2HA GLY 562 6.284 -11.318 -0.328 303 H PHE 563 H PHE 563 8.003 -8.404 -0.817 304 HA PHE 563 HA PHE 563 5.895 -6.944 0.588 305 HB2 PHE 563 1HB PHE 563 8.801 -6.856 0.551 306 HB3 PHE 563 2HB PHE 563 8.096 -5.256 0.339 307 HD1 PHE 563 1HD PHE 563 6.457 -4.420 2.053 308 HD2 PHE 563 2HD PHE 563 8.843 -7.895 2.649 309 HE1 PHE 563 1HE PHE 563 6.059 -4.273 4.477 310 HE2 PHE 563 2HE PHE 563 8.449 -7.754 5.074 311 HZ PHE 563 HZ PHE 563 7.055 -5.942 5.990 312 H TRP 564 H TRP 564 5.939 -4.473 -0.025 313 HA TRP 564 HA TRP 564 6.229 -4.002 -2.870 314 HB2 TRP 564 1HB TRP 564 3.733 -4.826 -1.835 315 HB3 TRP 564 2HB TRP 564 3.593 -3.099 -2.153 316 HD1 TRP 564 HD TRP 564 5.492 -3.085 -4.781 317 HE1 TRP 564 1HE TRP 564 4.546 -4.049 -6.971 318 HE3 TRP 564 3HE TRP 564 1.764 -5.997 -2.842 319 HZ2 TRP 564 2HZ TRP 564 2.491 -5.811 -7.772 320 HZ3 TRP 564 3HZ TRP 564 0.353 -7.291 -4.389 321 HH2 TRP 564 HH TRP 564 0.711 -7.198 -6.802 322 H GLU 565 H GLU 565 5.958 -1.750 -3.447 323 HA GLU 565 HA GLU 565 6.087 0.077 -1.142 324 HB2 GLU 565 1HB GLU 565 8.291 0.208 -1.700 325 HB3 GLU 565 2HB GLU 565 8.013 -0.313 -3.356 326 HG2 GLU 565 1HG GLU 565 8.835 1.981 -3.242 327 HG3 GLU 565 2HG GLU 565 7.224 1.894 -3.954 328 H GLY 566 H GLY 566 4.500 1.514 -1.219 329 HA2 GLY 566 1HA GLY 566 3.910 2.970 -3.626 330 HA3 GLY 566 2HA GLY 566 2.629 1.853 -3.176 331 H SER 567 H SER 567 1.261 3.713 -2.938 332 HA SER 567 HA SER 567 1.737 5.157 -0.411 333 HB2 SER 567 1HB SER 567 0.024 6.260 -2.623 334 HB3 SER 567 2HB SER 567 0.817 7.120 -1.304 335 HG SER 567 HG SER 567 1.875 7.383 -3.343 336 H ALA 568 H ALA 568 0.184 5.076 1.104 337 HA ALA 568 HA ALA 568 -2.549 4.416 0.440 338 HB1 ALA 568 1HB ALA 568 -2.711 2.398 1.699 339 HB2 ALA 568 2HB ALA 568 -1.378 2.210 0.559 340 HB3 ALA 568 3HB ALA 568 -1.044 2.545 2.257 341 H ARG 569 H ARG 569 -4.010 4.802 2.151 342 HA ARG 569 HA ARG 569 -4.804 6.005 3.914 343 HB2 ARG 569 1HB ARG 569 -3.499 4.083 5.026 344 HB3 ARG 569 2HB ARG 569 -2.270 5.292 5.371 345 HG2 ARG 569 1HG ARG 569 -3.486 5.333 7.307 346 HG3 ARG 569 2HG ARG 569 -4.275 6.618 6.390 347 HD2 ARG 569 1HD ARG 569 -5.298 3.832 6.133 348 HD3 ARG 569 2HD ARG 569 -5.674 4.742 7.597 349 HE ARG 569 HE ARG 569 -6.235 6.258 5.258 350 HH11 ARG 569 1HH1 ARG 569 -7.447 3.679 7.257 351 HH12 ARG 569 2HH1 ARG 569 -9.104 3.950 6.831 352 HH21 ARG 569 1HH2 ARG 569 -8.413 6.626 4.689 353 HH22 ARG 569 2HH2 ARG 569 -9.653 5.627 5.369 354 H GLY 570 H GLY 570 -3.301 7.457 1.972 355 HA2 GLY 570 1HA GLY 570 -2.569 9.620 1.691 356 HA3 GLY 570 2HA GLY 570 -2.920 9.889 3.392 357 H HIS 571 H HIS 571 -0.821 7.275 2.705 358 HA HIS 571 HA HIS 571 1.523 8.950 3.318 359 HB2 HIS 571 1HB HIS 571 0.451 7.240 5.118 360 HB3 HIS 571 2HB HIS 571 1.554 6.150 4.282 361 HD1 HIS 571 1HD HIS 571 2.529 6.312 6.905 362 HD2 HIS 571 2HD HIS 571 3.236 9.488 4.322 363 HE1 HIS 571 1HE HIS 571 4.465 7.569 7.902 364 H ILE 572 H ILE 572 3.607 7.568 2.933 365 HA ILE 572 HA ILE 572 3.319 5.855 0.577 366 HB ILE 572 HB ILE 572 5.249 8.176 0.647 367 HG12 ILE 572 1HG1 ILE 572 3.665 8.780 -1.412 368 HG13 ILE 572 2HG1 ILE 572 2.491 7.887 -0.450 369 HG21 ILE 572 1HG2 ILE 572 5.667 7.591 -1.686 370 HG22 ILE 572 2HG2 ILE 572 6.039 6.242 -0.615 371 HG23 ILE 572 3HG2 ILE 572 4.545 6.236 -1.553 372 HD11 ILE 572 1HD1 ILE 572 3.749 9.633 1.330 373 HD12 ILE 572 2HD1 ILE 572 3.446 10.569 -0.135 374 HD13 ILE 572 3HD1 ILE 572 2.114 9.749 0.678 375 H GLY 573 H GLY 573 4.370 4.035 0.999 376 HA2 GLY 573 1HA GLY 573 7.106 3.990 1.768 377 HA3 GLY 573 2HA GLY 573 6.079 3.584 3.135 378 H TRP 574 H TRP 574 6.866 1.473 3.252 379 HA TRP 574 HA TRP 574 6.285 -0.261 0.953 380 HB2 TRP 574 1HB TRP 574 8.277 -0.330 3.145 381 HB3 TRP 574 2HB TRP 574 7.621 -1.886 2.644 382 HD1 TRP 574 HD TRP 574 8.132 -2.667 0.103 383 HE1 TRP 574 1HE TRP 574 10.027 -2.019 -1.513 384 HE3 TRP 574 3HE TRP 574 9.779 1.569 2.444 385 HZ2 TRP 574 2HZ TRP 574 11.965 0.019 -1.762 386 HZ3 TRP 574 3HZ TRP 574 11.660 2.808 1.452 387 HH2 TRP 574 HH TRP 574 12.728 2.048 -0.607 388 H PHE 575 H PHE 575 5.370 -2.401 1.403 389 HA PHE 575 HA PHE 575 4.054 -2.921 3.878 390 HB2 PHE 575 1HB PHE 575 1.737 -2.758 3.065 391 HB3 PHE 575 2HB PHE 575 2.538 -1.190 3.047 392 HD1 PHE 575 1HD PHE 575 2.772 0.034 1.054 393 HD2 PHE 575 2HD PHE 575 1.457 -4.013 0.921 394 HE1 PHE 575 1HE PHE 575 2.185 0.307 -1.320 395 HE2 PHE 575 2HE PHE 575 0.869 -3.747 -1.453 396 HZ PHE 575 HZ PHE 575 1.233 -1.586 -2.577 397 HA PRO 576 HA PRO 576 4.166 -7.008 2.282 398 HB2 PRO 576 1HB PRO 576 2.122 -8.158 3.650 399 HB3 PRO 576 2HB PRO 576 3.658 -7.720 4.406 400 HG2 PRO 576 1HG PRO 576 1.053 -6.246 4.419 401 HG3 PRO 576 2HG PRO 576 2.187 -6.525 5.753 402 HD2 PRO 576 1HD PRO 576 2.080 -4.184 4.396 403 HD3 PRO 576 2HD PRO 576 3.588 -4.821 5.084 404 H ALA 577 H ALA 577 3.503 -7.831 0.405 405 HA ALA 577 HA ALA 577 1.338 -6.824 -1.061 406 HB1 ALA 577 1HB ALA 577 1.923 -8.323 -2.727 407 HB2 ALA 577 2HB ALA 577 3.439 -8.117 -1.846 408 HB3 ALA 577 3HB ALA 577 2.451 -9.553 -1.578 409 H GLU 578 H GLU 578 1.549 -9.427 1.241 410 HA GLU 578 HA GLU 578 -0.794 -10.824 0.525 411 HB2 GLU 578 1HB GLU 578 -0.691 -11.749 2.820 412 HB3 GLU 578 2HB GLU 578 0.851 -11.837 1.980 413 HG2 GLU 578 1HG GLU 578 1.852 -10.338 3.359 414 HG3 GLU 578 2HG GLU 578 0.355 -9.463 3.678 415 H CYS 579 H CYS 579 -0.358 -7.760 1.895 416 HA CYS 579 HA CYS 579 -3.016 -7.752 3.129 417 HB2 CYS 579 1HB CYS 579 -0.602 -5.994 3.358 418 HB3 CYS 579 2HB CYS 579 -2.185 -5.337 3.755 419 HG CYS 579 HG CYS 579 -1.441 -8.276 5.211 420 H VAL 580 H VAL 580 -2.210 -7.629 0.158 421 HA VAL 580 HA VAL 580 -4.143 -5.557 -0.530 422 HB VAL 580 HB VAL 580 -2.650 -4.741 -2.388 423 HG11 VAL 580 1HG1 VAL 580 -1.755 -3.055 -1.086 424 HG12 VAL 580 2HG1 VAL 580 -3.034 -3.682 -0.044 425 HG13 VAL 580 3HG1 VAL 580 -1.357 -4.147 0.240 426 HG21 VAL 580 1HG2 VAL 580 -1.094 -6.715 -2.223 427 HG22 VAL 580 2HG2 VAL 580 -0.310 -5.138 -2.322 428 HG23 VAL 580 3HG2 VAL 580 -0.428 -5.968 -0.770 429 H GLU 581 H GLU 581 -5.358 -6.047 -2.292 430 HA GLU 581 HA GLU 581 -4.523 -8.289 -3.988 431 HB2 GLU 581 1HB GLU 581 -6.010 -9.188 -2.232 432 HB3 GLU 581 2HB GLU 581 -7.256 -8.046 -2.718 433 HG2 GLU 581 1HG GLU 581 -7.778 -10.167 -3.661 434 HG3 GLU 581 2HG GLU 581 -7.265 -9.098 -4.965 435 H GLU 582 H GLU 582 -5.348 -8.263 -6.086 436 HA GLU 582 HA GLU 582 -5.775 -5.761 -7.243 437 HB2 GLU 582 1HB GLU 582 -6.145 -8.578 -8.187 438 HB3 GLU 582 2HB GLU 582 -6.722 -7.252 -9.187 439 HG2 GLU 582 1HG GLU 582 -4.080 -6.645 -8.344 440 HG3 GLU 582 2HG GLU 582 -4.102 -8.292 -8.973 441 H VAL 583 H VAL 583 -7.593 -4.720 -8.050 442 HA VAL 583 HA VAL 583 -9.896 -4.729 -6.525 443 HB VAL 583 HB VAL 583 -10.956 -3.420 -8.294 444 HG11 VAL 583 1HG1 VAL 583 -8.732 -1.908 -8.682 445 HG12 VAL 583 2HG1 VAL 583 -9.716 -1.887 -7.217 446 HG13 VAL 583 3HG1 VAL 583 -8.255 -2.873 -7.286 447 HG21 VAL 583 1HG2 VAL 583 -9.869 -3.046 -10.430 448 HG22 VAL 583 2HG2 VAL 583 -8.547 -4.120 -9.972 449 HG23 VAL 583 3HG2 VAL 583 -10.172 -4.768 -10.200 450 H GLN 584 H GLN 584 -12.010 -5.490 -6.859 451 HA GLN 584 HA GLN 584 -12.263 -7.700 -8.789 452 HB2 GLN 584 1HB GLN 584 -13.345 -7.654 -5.966 453 HB3 GLN 584 2HB GLN 584 -13.584 -8.943 -7.139 454 HG2 GLN 584 1HG GLN 584 -11.201 -9.404 -7.148 455 HG3 GLN 584 2HG GLN 584 -10.928 -8.081 -6.017 456 HE21 GLN 584 1HE2 GLN 584 -11.767 -9.898 -3.185 457 HE22 GLN 584 2HE2 GLN 584 -11.317 -8.380 -3.876 458 H SER 585 H SER 585 -13.610 -6.915 -10.287 459 HA SER 585 HA SER 585 -15.495 -4.919 -10.010 460 HB2 SER 585 1HB SER 585 -14.743 -6.799 -12.026 461 HB3 SER 585 2HB SER 585 -16.503 -6.773 -11.924 462 HG SER 585 HG SER 585 -15.676 -5.178 -13.359 Start of MODEL 25 1 H1 MET 525 H MET 525 4.526 -6.155 -17.463 2 HA MET 525 HA MET 525 4.376 -7.723 -14.977 3 HB2 MET 525 1HB MET 525 5.397 -8.731 -17.106 4 HB3 MET 525 2HB MET 525 6.741 -7.629 -16.839 5 HG2 MET 525 1HG MET 525 7.391 -8.696 -14.881 6 HG3 MET 525 2HG MET 525 5.827 -9.483 -14.678 7 HE1 MET 525 1HE MET 525 8.581 -8.883 -17.052 8 HE2 MET 525 2HE MET 525 9.346 -10.459 -17.257 9 HE3 MET 525 3HE MET 525 8.053 -9.957 -18.348 10 H VAL 526 H VAL 526 4.242 -4.891 -14.927 11 HA VAL 526 HA VAL 526 6.630 -4.346 -13.332 12 HB VAL 526 HB VAL 526 6.653 -1.986 -14.331 13 HG11 VAL 526 1HG1 VAL 526 8.368 -3.780 -14.682 14 HG12 VAL 526 2HG1 VAL 526 7.524 -4.206 -16.172 15 HG13 VAL 526 3HG1 VAL 526 8.246 -2.606 -15.991 16 HG21 VAL 526 1HG2 VAL 526 5.260 -3.416 -16.593 17 HG22 VAL 526 2HG2 VAL 526 4.516 -2.209 -15.545 18 HG23 VAL 526 3HG2 VAL 526 5.850 -1.754 -16.604 19 HA PRO 527 HA PRO 527 3.818 -2.462 -10.536 20 HB2 PRO 527 1HB PRO 527 5.363 -0.515 -9.445 21 HB3 PRO 527 2HB PRO 527 5.589 -2.232 -9.090 22 HG2 PRO 527 1HG PRO 527 7.088 -0.479 -10.998 23 HG3 PRO 527 2HG PRO 527 7.712 -1.696 -9.870 24 HD2 PRO 527 1HD PRO 527 7.397 -2.186 -12.515 25 HD3 PRO 527 2HD PRO 527 7.201 -3.447 -11.280 26 H GLY 528 H GLY 528 2.159 -1.432 -11.541 27 HA2 GLY 528 1HA GLY 528 2.222 1.408 -11.729 28 HA3 GLY 528 2HA GLY 528 2.281 0.678 -13.327 29 H ARG 529 H ARG 529 0.575 -0.827 -10.682 30 HA ARG 529 HA ARG 529 -1.977 -0.043 -11.929 31 HB2 ARG 529 1HB ARG 529 -1.159 -2.742 -10.848 32 HB3 ARG 529 2HB ARG 529 -2.819 -2.313 -11.236 33 HG2 ARG 529 1HG ARG 529 -0.574 -2.195 -13.231 34 HG3 ARG 529 2HG ARG 529 -1.600 -3.610 -12.996 35 HD2 ARG 529 1HD ARG 529 -2.760 -2.604 -14.674 36 HD3 ARG 529 2HD ARG 529 -3.516 -1.803 -13.297 37 HE ARG 529 HE ARG 529 -1.335 -0.257 -14.036 38 HH11 ARG 529 1HH1 ARG 529 -4.349 -1.309 -15.425 39 HH12 ARG 529 2HH1 ARG 529 -4.529 0.095 -16.423 40 HH21 ARG 529 1HH2 ARG 529 -1.562 1.597 -15.346 41 HH22 ARG 529 2HH2 ARG 529 -2.942 1.747 -16.378 42 H LEU 530 H LEU 530 -3.850 -0.701 -10.330 43 HA LEU 530 HA LEU 530 -3.140 0.473 -7.729 44 HB2 LEU 530 1HB LEU 530 -5.699 0.428 -9.302 45 HB3 LEU 530 2HB LEU 530 -5.654 0.868 -7.596 46 HG LEU 530 HG LEU 530 -4.003 2.683 -8.263 47 HD11 LEU 530 1HD1 LEU 530 -4.624 1.508 -10.881 48 HD12 LEU 530 2HD1 LEU 530 -3.221 2.438 -10.353 49 HD13 LEU 530 3HD1 LEU 530 -4.708 3.269 -10.811 50 HD21 LEU 530 1HD2 LEU 530 -6.750 2.944 -9.466 51 HD22 LEU 530 2HD2 LEU 530 -5.738 4.218 -8.786 52 HD23 LEU 530 3HD2 LEU 530 -6.441 2.992 -7.730 53 H PHE 531 H PHE 531 -3.720 -0.506 -5.828 54 HA PHE 531 HA PHE 531 -4.995 -3.151 -6.035 55 HB2 PHE 531 1HB PHE 531 -2.456 -2.357 -4.676 56 HB3 PHE 531 2HB PHE 531 -3.446 -3.611 -3.937 57 HD1 PHE 531 1HD PHE 531 -1.453 -2.701 -6.882 58 HD2 PHE 531 2HD PHE 531 -3.631 -5.783 -4.912 59 HE1 PHE 531 1HE PHE 531 -0.475 -4.365 -8.410 60 HE2 PHE 531 2HE PHE 531 -2.655 -7.450 -6.435 61 HZ PHE 531 HZ PHE 531 -1.075 -6.742 -8.186 62 H VAL 532 H VAL 532 -6.059 -3.886 -4.077 63 HA VAL 532 HA VAL 532 -6.940 -1.651 -2.365 64 HB VAL 532 HB VAL 532 -8.617 -4.038 -3.142 65 HG11 VAL 532 1HG1 VAL 532 -10.297 -2.028 -2.360 66 HG12 VAL 532 2HG1 VAL 532 -9.765 -3.366 -1.341 67 HG13 VAL 532 3HG1 VAL 532 -8.928 -1.815 -1.270 68 HG21 VAL 532 1HG2 VAL 532 -8.442 -2.887 -5.152 69 HG22 VAL 532 2HG2 VAL 532 -9.898 -2.198 -4.432 70 HG23 VAL 532 3HG2 VAL 532 -8.374 -1.313 -4.360 71 H ALA 533 H ALA 533 -6.327 -1.884 -0.328 72 HA ALA 533 HA ALA 533 -5.186 -4.241 0.715 73 HB1 ALA 533 1HB ALA 533 -6.146 -1.706 2.013 74 HB2 ALA 533 2HB ALA 533 -5.410 -3.023 2.928 75 HB3 ALA 533 3HB ALA 533 -4.489 -2.204 1.668 76 H ILE 534 H ILE 534 -6.124 -6.022 1.455 77 HA ILE 534 HA ILE 534 -8.966 -5.901 2.214 78 HB ILE 534 HB ILE 534 -8.933 -8.389 1.854 79 HG12 ILE 534 1HG1 ILE 534 -6.444 -8.018 0.238 80 HG13 ILE 534 2HG1 ILE 534 -6.295 -8.297 1.969 81 HG21 ILE 534 1HG2 ILE 534 -8.517 -6.380 -0.309 82 HG22 ILE 534 2HG2 ILE 534 -8.658 -8.085 -0.733 83 HG23 ILE 534 3HG2 ILE 534 -9.969 -7.282 0.129 84 HD11 ILE 534 1HD1 ILE 534 -6.258 -10.281 0.264 85 HD12 ILE 534 2HD1 ILE 534 -7.060 -10.442 1.827 86 HD13 ILE 534 3HD1 ILE 534 -8.010 -10.125 0.375 87 H LYS 535 H LYS 535 -5.846 -6.292 3.447 88 HA LYS 535 HA LYS 535 -6.947 -7.335 5.969 89 HB2 LYS 535 1HB LYS 535 -4.234 -8.013 4.817 90 HB3 LYS 535 2HB LYS 535 -4.877 -8.576 6.355 91 HG2 LYS 535 1HG LYS 535 -6.564 -9.163 4.029 92 HG3 LYS 535 2HG LYS 535 -4.991 -9.963 4.035 93 HD2 LYS 535 1HD LYS 535 -6.052 -11.504 5.289 94 HD3 LYS 535 2HD LYS 535 -5.775 -10.355 6.600 95 HE2 LYS 535 1HE LYS 535 -8.183 -9.830 5.014 96 HE3 LYS 535 2HE LYS 535 -8.206 -11.364 5.881 97 HZ1 LYS 535 1HZ LYS 535 -8.783 -10.212 7.667 98 HZ2 LYS 535 2HZ LYS 535 -8.524 -8.731 6.892 99 HZ3 LYS 535 3HZ LYS 535 -7.243 -9.512 7.675 100 HA PRO 536 HA PRO 536 -5.212 -3.596 7.586 101 HB2 PRO 536 1HB PRO 536 -5.535 -4.186 10.216 102 HB3 PRO 536 2HB PRO 536 -6.874 -3.703 9.169 103 HG2 PRO 536 1HG PRO 536 -6.047 -6.443 10.044 104 HG3 PRO 536 2HG PRO 536 -7.674 -5.748 9.933 105 HD2 PRO 536 1HD PRO 536 -6.665 -7.401 8.041 106 HD3 PRO 536 2HD PRO 536 -7.804 -6.095 7.658 107 H TYR 537 H TYR 537 -3.283 -2.895 8.436 108 HA TYR 537 HA TYR 537 -1.506 -4.704 9.815 109 HB2 TYR 537 1HB TYR 537 -1.316 -4.925 7.164 110 HB3 TYR 537 2HB TYR 537 -0.295 -3.507 7.371 111 HD1 TYR 537 1HD TYR 537 1.808 -3.660 8.620 112 HD2 TYR 537 2HD TYR 537 -0.614 -7.093 7.954 113 HE1 TYR 537 1HE TYR 537 3.697 -5.105 9.243 114 HE2 TYR 537 2HE TYR 537 1.267 -8.549 8.577 115 HH TYR 537 HH TYR 537 3.342 -8.632 9.386 116 H GLN 538 H GLN 538 0.331 -3.647 10.722 117 HA GLN 538 HA GLN 538 0.134 -0.707 10.709 118 HB2 GLN 538 1HB GLN 538 0.301 -2.640 12.953 119 HB3 GLN 538 2HB GLN 538 1.233 -1.158 13.117 120 HG2 GLN 538 1HG GLN 538 -1.097 -1.155 14.090 121 HG3 GLN 538 2HG GLN 538 -0.679 0.188 13.029 122 HE21 GLN 538 1HE2 GLN 538 -3.328 -0.362 10.905 123 HE22 GLN 538 2HE2 GLN 538 -2.111 0.686 11.540 124 HA PRO 539 HA PRO 539 4.385 -0.511 9.639 125 HB2 PRO 539 1HB PRO 539 5.157 1.744 10.939 126 HB3 PRO 539 2HB PRO 539 4.124 1.768 9.504 127 HG2 PRO 539 1HG PRO 539 3.362 1.984 12.392 128 HG3 PRO 539 2HG PRO 539 2.763 2.911 11.004 129 HD2 PRO 539 1HD PRO 539 1.384 0.844 12.080 130 HD3 PRO 539 2HD PRO 539 1.318 1.238 10.350 131 H GLN 540 H GLN 540 5.981 -1.757 10.364 132 HA GLN 540 HA GLN 540 6.759 -1.566 13.190 133 HB2 GLN 540 1HB GLN 540 7.182 -4.038 13.155 134 HB3 GLN 540 2HB GLN 540 5.486 -3.586 13.071 135 HG2 GLN 540 1HG GLN 540 6.168 -3.743 10.432 136 HG3 GLN 540 2HG GLN 540 7.147 -5.021 11.151 137 HE21 GLN 540 1HE2 GLN 540 3.099 -5.302 11.712 138 HE22 GLN 540 2HE2 GLN 540 3.906 -3.784 11.881 139 H VAL 541 H VAL 541 7.696 -0.964 10.193 140 HA VAL 541 HA VAL 541 10.516 -1.373 10.835 141 HB VAL 541 HB VAL 541 9.450 -2.111 8.113 142 HG11 VAL 541 1HG1 VAL 541 11.798 -3.371 8.331 143 HG12 VAL 541 2HG1 VAL 541 11.649 -1.722 7.720 144 HG13 VAL 541 3HG1 VAL 541 12.112 -2.004 9.399 145 HG21 VAL 541 1HG2 VAL 541 9.820 -4.459 8.763 146 HG22 VAL 541 2HG2 VAL 541 10.148 -3.933 10.415 147 HG23 VAL 541 3HG2 VAL 541 8.548 -3.692 9.714 148 H ASP 542 H ASP 542 11.949 0.006 9.666 149 HA ASP 542 HA ASP 542 11.039 2.617 9.318 150 HB2 ASP 542 1HB ASP 542 13.397 2.002 9.766 151 HB3 ASP 542 2HB ASP 542 13.526 1.371 8.126 152 H GLY 543 H GLY 543 9.623 3.276 7.837 153 HA2 GLY 543 1HA GLY 543 9.344 3.968 5.531 154 HA3 GLY 543 2HA GLY 543 10.076 2.447 5.042 155 H GLU 544 H GLU 544 8.571 0.819 6.895 156 HA GLU 544 HA GLU 544 6.428 0.074 5.327 157 HB2 GLU 544 1HB GLU 544 7.249 -0.432 8.128 158 HB3 GLU 544 2HB GLU 544 5.566 -0.766 7.743 159 HG2 GLU 544 1HG GLU 544 6.509 -2.102 5.758 160 HG3 GLU 544 2HG GLU 544 8.037 -2.033 6.635 161 H ILE 545 H ILE 545 4.128 0.240 5.664 162 HA ILE 545 HA ILE 545 3.261 2.602 7.175 163 HB ILE 545 HB ILE 545 1.620 2.934 5.148 164 HG12 ILE 545 1HG1 ILE 545 4.046 1.721 3.806 165 HG13 ILE 545 2HG1 ILE 545 2.464 0.960 3.912 166 HG21 ILE 545 1HG2 ILE 545 4.020 4.104 4.198 167 HG22 ILE 545 2HG2 ILE 545 2.727 4.854 5.133 168 HG23 ILE 545 3HG2 ILE 545 4.083 4.090 5.960 169 HD11 ILE 545 1HD1 ILE 545 2.956 2.048 1.731 170 HD12 ILE 545 2HD1 ILE 545 1.491 2.630 2.521 171 HD13 ILE 545 3HD1 ILE 545 2.962 3.600 2.567 172 HA PRO 546 HA PRO 546 -0.139 0.159 8.489 173 HB2 PRO 546 1HB PRO 546 -2.136 1.993 8.624 174 HB3 PRO 546 2HB PRO 546 -0.795 1.947 9.774 175 HG2 PRO 546 1HG PRO 546 -1.174 3.698 7.376 176 HG3 PRO 546 2HG PRO 546 -0.583 4.127 8.993 177 HD2 PRO 546 1HD PRO 546 1.079 3.731 6.892 178 HD3 PRO 546 2HD PRO 546 1.541 3.343 8.562 179 H LEU 547 H LEU 547 -2.364 -0.537 7.941 180 HA LEU 547 HA LEU 547 -3.247 0.045 5.229 181 HB2 LEU 547 1HB LEU 547 -2.379 -2.670 6.179 182 HB3 LEU 547 2HB LEU 547 -3.473 -2.453 4.815 183 HG LEU 547 HG LEU 547 -0.784 -1.132 4.837 184 HD11 LEU 547 1HD1 LEU 547 0.295 -3.060 4.703 185 HD12 LEU 547 2HD1 LEU 547 -0.680 -3.507 3.303 186 HD13 LEU 547 3HD1 LEU 547 -1.217 -3.940 4.926 187 HD21 LEU 547 1HD2 LEU 547 -1.938 -2.247 2.385 188 HD22 LEU 547 2HD2 LEU 547 -1.220 -0.664 2.688 189 HD23 LEU 547 3HD2 LEU 547 -2.899 -0.970 3.133 190 H HIS 548 H HIS 548 -5.407 -0.682 4.789 191 HA HIS 548 HA HIS 548 -6.946 -1.685 7.056 192 HB2 HIS 548 1HB HIS 548 -6.843 0.972 6.809 193 HB3 HIS 548 2HB HIS 548 -8.122 0.654 5.639 194 HD1 HIS 548 1HD HIS 548 -10.376 -0.213 6.553 195 HD2 HIS 548 2HD HIS 548 -7.531 0.537 9.487 196 HE1 HIS 548 1HE HIS 548 -11.630 -0.254 8.732 197 H ARG 549 H ARG 549 -9.049 -2.477 6.470 198 HA ARG 549 HA ARG 549 -9.064 -3.718 3.892 199 HB2 ARG 549 1HB ARG 549 -11.224 -3.657 6.007 200 HB3 ARG 549 2HB ARG 549 -11.161 -4.744 4.627 201 HG2 ARG 549 1HG ARG 549 -8.913 -5.517 5.586 202 HG3 ARG 549 2HG ARG 549 -9.427 -4.707 7.067 203 HD2 ARG 549 1HD ARG 549 -9.982 -7.098 7.081 204 HD3 ARG 549 2HD ARG 549 -11.422 -6.084 7.157 205 HE ARG 549 HE ARG 549 -10.813 -6.789 4.477 206 HH11 ARG 549 1HH1 ARG 549 -12.163 -8.049 7.428 207 HH12 ARG 549 2HH1 ARG 549 -13.169 -9.211 6.626 208 HH21 ARG 549 1HH2 ARG 549 -12.132 -8.313 3.409 209 HH22 ARG 549 2HH2 ARG 549 -13.149 -9.361 4.340 210 H GLY 550 H GLY 550 -9.615 -2.660 2.103 211 HA2 GLY 550 1HA GLY 550 -11.446 -1.783 0.783 212 HA3 GLY 550 2HA GLY 550 -11.988 -0.910 2.209 213 H ASP 551 H ASP 551 -8.680 -0.722 2.084 214 HA ASP 551 HA ASP 551 -8.805 2.028 1.164 215 HB2 ASP 551 1HB ASP 551 -7.040 0.444 2.862 216 HB3 ASP 551 2HB ASP 551 -6.150 1.469 1.739 217 H ARG 552 H ARG 552 -7.850 2.842 -0.646 218 HA ARG 552 HA ARG 552 -7.046 0.888 -2.658 219 HB2 ARG 552 1HB ARG 552 -7.470 3.860 -2.997 220 HB3 ARG 552 2HB ARG 552 -7.352 2.653 -4.270 221 HG2 ARG 552 1HG ARG 552 -9.527 2.630 -2.197 222 HG3 ARG 552 2HG ARG 552 -9.666 3.486 -3.735 223 HD2 ARG 552 1HD ARG 552 -8.853 0.618 -3.744 224 HD3 ARG 552 2HD ARG 552 -10.547 1.023 -3.465 225 HE ARG 552 HE ARG 552 -9.096 1.240 -5.938 226 HH11 ARG 552 1HH1 ARG 552 -11.825 2.384 -4.103 227 HH12 ARG 552 2HH1 ARG 552 -12.723 2.878 -5.501 228 HH21 ARG 552 1HH2 ARG 552 -10.268 1.887 -7.784 229 HH22 ARG 552 2HH2 ARG 552 -11.837 2.594 -7.594 230 H VAL 553 H VAL 553 -4.954 0.332 -2.303 231 HA VAL 553 HA VAL 553 -2.964 2.382 -1.755 232 HB VAL 553 HB VAL 553 -2.681 -0.614 -2.026 233 HG11 VAL 553 1HG1 VAL 553 -0.482 0.188 -0.680 234 HG12 VAL 553 2HG1 VAL 553 -0.528 -0.073 -2.425 235 HG13 VAL 553 3HG1 VAL 553 -0.707 1.555 -1.771 236 HG21 VAL 553 1HG2 VAL 553 -3.544 -0.623 0.030 237 HG22 VAL 553 2HG2 VAL 553 -2.049 0.147 0.558 238 HG23 VAL 553 3HG2 VAL 553 -3.453 1.134 0.157 239 H LYS 554 H LYS 554 -1.576 3.202 -3.201 240 HA LYS 554 HA LYS 554 -1.757 2.231 -5.962 241 HB2 LYS 554 1HB LYS 554 -2.182 4.683 -5.297 242 HB3 LYS 554 2HB LYS 554 -0.441 4.792 -5.086 243 HG2 LYS 554 1HG LYS 554 -0.020 4.478 -7.351 244 HG3 LYS 554 2HG LYS 554 -1.617 3.789 -7.648 245 HD2 LYS 554 1HD LYS 554 -1.513 6.030 -8.554 246 HD3 LYS 554 2HD LYS 554 -2.622 5.995 -7.182 247 HE2 LYS 554 1HE LYS 554 -1.099 7.969 -7.219 248 HE3 LYS 554 2HE LYS 554 -0.990 7.000 -5.751 249 HZ1 LYS 554 1HZ LYS 554 1.014 5.995 -6.554 250 HZ2 LYS 554 2HZ LYS 554 1.188 7.674 -6.642 251 HZ3 LYS 554 3HZ LYS 554 0.881 6.781 -8.046 252 H VAL 555 H VAL 555 -0.308 0.596 -6.147 253 HA VAL 555 HA VAL 555 2.220 0.509 -4.895 254 HB VAL 555 HB VAL 555 1.265 -0.941 -7.369 255 HG11 VAL 555 1HG1 VAL 555 3.636 -1.489 -5.585 256 HG12 VAL 555 2HG1 VAL 555 3.076 -2.529 -6.896 257 HG13 VAL 555 3HG1 VAL 555 3.694 -0.916 -7.252 258 HG21 VAL 555 1HG2 VAL 555 0.985 -2.836 -5.748 259 HG22 VAL 555 2HG2 VAL 555 1.248 -1.675 -4.446 260 HG23 VAL 555 3HG2 VAL 555 -0.138 -1.494 -5.521 261 H LEU 556 H LEU 556 4.090 1.450 -5.388 262 HA LEU 556 HA LEU 556 4.287 2.903 -7.931 263 HB2 LEU 556 1HB LEU 556 5.897 3.190 -5.399 264 HB3 LEU 556 2HB LEU 556 6.085 4.173 -6.849 265 HG LEU 556 HG LEU 556 3.637 4.100 -5.086 266 HD11 LEU 556 1HD1 LEU 556 6.048 5.832 -5.171 267 HD12 LEU 556 2HD1 LEU 556 5.083 5.298 -3.795 268 HD13 LEU 556 3HD1 LEU 556 4.488 6.586 -4.842 269 HD21 LEU 556 1HD2 LEU 556 4.268 5.390 -7.689 270 HD22 LEU 556 2HD2 LEU 556 3.301 6.292 -6.521 271 HD23 LEU 556 3HD2 LEU 556 2.748 4.719 -7.097 272 H SER 557 H SER 557 5.986 0.596 -5.875 273 HA SER 557 HA SER 557 7.330 -0.521 -8.160 274 HB2 SER 557 1HB SER 557 8.884 1.274 -7.730 275 HB3 SER 557 2HB SER 557 8.921 0.892 -6.009 276 HG SER 557 HG SER 557 10.464 -0.080 -7.923 277 H ILE 558 H ILE 558 8.617 -2.447 -7.570 278 HA ILE 558 HA ILE 558 7.212 -4.023 -5.648 279 HB ILE 558 HB ILE 558 9.734 -4.690 -7.170 280 HG12 ILE 558 1HG1 ILE 558 7.677 -4.104 -8.538 281 HG13 ILE 558 2HG1 ILE 558 8.354 -5.704 -8.823 282 HG21 ILE 558 1HG2 ILE 558 8.010 -6.204 -5.303 283 HG22 ILE 558 2HG2 ILE 558 8.576 -7.057 -6.738 284 HG23 ILE 558 3HG2 ILE 558 9.738 -6.345 -5.620 285 HD11 ILE 558 1HD1 ILE 558 6.284 -5.624 -6.761 286 HD12 ILE 558 2HD1 ILE 558 5.734 -5.178 -8.377 287 HD13 ILE 558 3HD1 ILE 558 6.511 -6.738 -8.109 288 H GLY 559 H GLY 559 7.970 -4.936 -3.733 289 HA2 GLY 559 1HA GLY 559 10.041 -3.359 -2.409 290 HA3 GLY 559 2HA GLY 559 8.900 -4.442 -1.627 291 H GLU 560 H GLU 560 10.032 -5.949 -0.594 292 HA GLU 560 HA GLU 560 11.856 -7.614 -2.128 293 HB2 GLU 560 1HB GLU 560 13.545 -7.490 -0.221 294 HB3 GLU 560 2HB GLU 560 13.467 -6.108 -1.305 295 HG2 GLU 560 1HG GLU 560 12.238 -4.832 0.293 296 HG3 GLU 560 2HG GLU 560 12.054 -6.235 1.345 297 H GLY 561 H GLY 561 11.203 -9.625 -1.781 298 HA2 GLY 561 1HA GLY 561 10.683 -11.552 -0.610 299 HA3 GLY 561 2HA GLY 561 10.879 -10.649 0.885 300 H GLY 562 H GLY 562 8.665 -10.521 -1.916 301 HA2 GLY 562 1HA GLY 562 6.366 -10.641 -1.997 302 HA3 GLY 562 2HA GLY 562 6.393 -11.231 -0.342 303 H PHE 563 H PHE 563 8.083 -8.336 -0.647 304 HA PHE 563 HA PHE 563 5.932 -6.908 0.700 305 HB2 PHE 563 1HB PHE 563 8.831 -6.788 0.690 306 HB3 PHE 563 2HB PHE 563 8.124 -5.191 0.465 307 HD1 PHE 563 1HD PHE 563 6.299 -4.484 2.137 308 HD2 PHE 563 2HD PHE 563 9.015 -7.692 2.812 309 HE1 PHE 563 1HE PHE 563 5.874 -4.331 4.555 310 HE2 PHE 563 2HE PHE 563 8.592 -7.545 5.231 311 HZ PHE 563 HZ PHE 563 7.020 -5.863 6.106 312 H TRP 564 H TRP 564 5.906 -4.441 0.125 313 HA TRP 564 HA TRP 564 6.226 -3.897 -2.701 314 HB2 TRP 564 1HB TRP 564 3.727 -4.809 -1.702 315 HB3 TRP 564 2HB TRP 564 3.552 -3.097 -2.075 316 HD1 TRP 564 HD TRP 564 5.625 -3.225 -4.626 317 HE1 TRP 564 1HE TRP 564 4.733 -4.229 -6.822 318 HE3 TRP 564 3HE TRP 564 1.686 -5.895 -2.758 319 HZ2 TRP 564 2HZ TRP 564 2.637 -5.927 -7.652 320 HZ3 TRP 564 3HZ TRP 564 0.287 -7.182 -4.320 321 HH2 TRP 564 HH TRP 564 0.755 -7.196 -6.717 322 H GLU 565 H GLU 565 6.477 -1.751 -3.128 323 HA GLU 565 HA GLU 565 6.196 0.079 -0.836 324 HB2 GLU 565 1HB GLU 565 7.994 1.421 -2.100 325 HB3 GLU 565 2HB GLU 565 8.493 -0.030 -1.243 326 HG2 GLU 565 1HG GLU 565 8.404 -1.279 -3.366 327 HG3 GLU 565 2HG GLU 565 7.998 0.220 -4.201 328 H GLY 566 H GLY 566 4.411 1.259 -1.119 329 HA2 GLY 566 1HA GLY 566 4.139 2.759 -3.616 330 HA3 GLY 566 2HA GLY 566 2.790 1.739 -3.137 331 H SER 567 H SER 567 1.364 3.451 -2.881 332 HA SER 567 HA SER 567 1.852 5.085 -0.485 333 HB2 SER 567 1HB SER 567 0.402 6.174 -2.894 334 HB3 SER 567 2HB SER 567 1.053 7.059 -1.514 335 HG SER 567 HG SER 567 2.263 6.962 -3.659 336 H ALA 568 H ALA 568 0.049 5.556 0.770 337 HA ALA 568 HA ALA 568 -2.597 4.792 -0.045 338 HB1 ALA 568 1HB ALA 568 -1.581 2.603 0.532 339 HB2 ALA 568 2HB ALA 568 -1.324 3.197 2.174 340 HB3 ALA 568 3HB ALA 568 -2.962 3.027 1.544 341 H ARG 569 H ARG 569 -4.126 5.843 1.118 342 HA ARG 569 HA ARG 569 -5.036 7.349 2.559 343 HB2 ARG 569 1HB ARG 569 -3.108 5.870 4.315 344 HB3 ARG 569 2HB ARG 569 -3.986 7.255 4.951 345 HG2 ARG 569 1HG ARG 569 -5.849 5.579 3.627 346 HG3 ARG 569 2HG ARG 569 -4.857 4.573 4.684 347 HD2 ARG 569 1HD ARG 569 -6.373 5.213 6.233 348 HD3 ARG 569 2HD ARG 569 -5.330 6.630 6.339 349 HE ARG 569 HE ARG 569 -7.118 7.271 4.392 350 HH11 ARG 569 1HH1 ARG 569 -7.388 6.195 7.692 351 HH12 ARG 569 2HH1 ARG 569 -8.880 7.028 7.979 352 HH21 ARG 569 1HH2 ARG 569 -9.082 8.371 4.756 353 HH22 ARG 569 2HH2 ARG 569 -9.844 8.265 6.307 354 H GLY 570 H GLY 570 -2.575 8.011 0.943 355 HA2 GLY 570 1HA GLY 570 -1.586 10.083 0.547 356 HA3 GLY 570 2HA GLY 570 -2.162 10.629 2.115 357 H HIS 571 H HIS 571 -0.510 7.628 2.078 358 HA HIS 571 HA HIS 571 1.985 8.935 2.928 359 HB2 HIS 571 1HB HIS 571 0.741 6.517 4.250 360 HB3 HIS 571 2HB HIS 571 2.245 7.302 4.717 361 HD1 HIS 571 1HD HIS 571 -0.907 7.008 6.020 362 HD2 HIS 571 2HD HIS 571 1.391 10.340 5.082 363 HE1 HIS 571 1HE HIS 571 -1.845 8.884 7.407 364 H ILE 572 H ILE 572 3.775 8.165 1.995 365 HA ILE 572 HA ILE 572 3.517 5.780 0.306 366 HB ILE 572 HB ILE 572 5.736 7.825 0.266 367 HG12 ILE 572 1HG1 ILE 572 4.387 8.353 -1.985 368 HG13 ILE 572 2HG1 ILE 572 3.040 7.800 -0.994 369 HG21 ILE 572 1HG2 ILE 572 6.338 6.874 -1.838 370 HG22 ILE 572 2HG2 ILE 572 6.185 5.554 -0.679 371 HG23 ILE 572 3HG2 ILE 572 4.901 5.852 -1.850 372 HD11 ILE 572 1HD1 ILE 572 2.932 9.777 -0.021 373 HD12 ILE 572 2HD1 ILE 572 4.600 9.622 0.530 374 HD13 ILE 572 3HD1 ILE 572 4.254 10.340 -1.042 375 H GLY 573 H GLY 573 4.416 3.932 0.925 376 HA2 GLY 573 1HA GLY 573 6.989 3.802 2.159 377 HA3 GLY 573 2HA GLY 573 5.705 3.482 3.316 378 H TRP 574 H TRP 574 6.785 1.375 3.480 379 HA TRP 574 HA TRP 574 6.303 -0.409 1.208 380 HB2 TRP 574 1HB TRP 574 8.112 -0.444 3.559 381 HB3 TRP 574 2HB TRP 574 7.512 -2.005 3.007 382 HD1 TRP 574 HD TRP 574 8.278 -2.818 0.557 383 HE1 TRP 574 1HE TRP 574 10.283 -2.143 -0.910 384 HE3 TRP 574 3HE TRP 574 9.602 1.511 2.933 385 HZ2 TRP 574 2HZ TRP 574 12.177 -0.053 -1.039 386 HZ3 TRP 574 3HZ TRP 574 11.522 2.788 2.076 387 HH2 TRP 574 HH TRP 574 12.781 2.020 0.130 388 H PHE 575 H PHE 575 5.455 -2.611 1.723 389 HA PHE 575 HA PHE 575 3.976 -3.143 4.054 390 HB2 PHE 575 1HB PHE 575 1.688 -2.870 3.216 391 HB3 PHE 575 2HB PHE 575 2.534 -1.326 3.244 392 HD1 PHE 575 1HD PHE 575 1.283 -4.021 1.073 393 HD2 PHE 575 2HD PHE 575 2.948 -0.108 1.249 394 HE1 PHE 575 1HE PHE 575 0.735 -3.685 -1.302 395 HE2 PHE 575 2HE PHE 575 2.402 0.235 -1.125 396 HZ PHE 575 HZ PHE 575 1.293 -1.554 -2.403 397 HA PRO 576 HA PRO 576 4.032 -7.154 2.271 398 HB2 PRO 576 1HB PRO 576 1.933 -8.316 3.543 399 HB3 PRO 576 2HB PRO 576 3.463 -7.951 4.349 400 HG2 PRO 576 1HG PRO 576 0.893 -6.417 4.379 401 HG3 PRO 576 2HG PRO 576 1.993 -6.783 5.721 402 HD2 PRO 576 1HD PRO 576 1.968 -4.382 4.473 403 HD3 PRO 576 2HD PRO 576 3.445 -5.085 5.159 404 H ALA 577 H ALA 577 3.346 -7.980 0.395 405 HA ALA 577 HA ALA 577 1.218 -6.824 -1.060 406 HB1 ALA 577 1HB ALA 577 3.008 -7.714 -2.308 407 HB2 ALA 577 2HB ALA 577 2.886 -9.283 -1.512 408 HB3 ALA 577 3HB ALA 577 1.630 -8.764 -2.637 409 H GLU 578 H GLU 578 1.409 -9.535 1.101 410 HA GLU 578 HA GLU 578 -0.917 -10.905 0.261 411 HB2 GLU 578 1HB GLU 578 -0.831 -11.961 2.512 412 HB3 GLU 578 2HB GLU 578 0.699 -12.029 1.647 413 HG2 GLU 578 1HG GLU 578 1.736 -10.586 3.077 414 HG3 GLU 578 2HG GLU 578 0.238 -9.766 3.512 415 H CYS 579 H CYS 579 -0.514 -7.929 1.800 416 HA CYS 579 HA CYS 579 -3.094 -8.008 3.154 417 HB2 CYS 579 1HB CYS 579 -0.715 -6.242 3.221 418 HB3 CYS 579 2HB CYS 579 -2.268 -5.462 3.492 419 HG CYS 579 HG CYS 579 -0.529 -6.578 5.777 420 H VAL 580 H VAL 580 -1.884 -7.275 0.115 421 HA VAL 580 HA VAL 580 -4.170 -5.506 -0.468 422 HB VAL 580 HB VAL 580 -2.796 -4.846 -2.518 423 HG11 VAL 580 1HG1 VAL 580 -1.499 -4.015 0.055 424 HG12 VAL 580 2HG1 VAL 580 -1.824 -3.051 -1.386 425 HG13 VAL 580 3HG1 VAL 580 -3.152 -3.543 -0.334 426 HG21 VAL 580 1HG2 VAL 580 -0.620 -6.121 -0.863 427 HG22 VAL 580 2HG2 VAL 580 -1.163 -6.632 -2.460 428 HG23 VAL 580 3HG2 VAL 580 -0.349 -5.080 -2.260 429 H GLU 581 H GLU 581 -5.319 -5.839 -2.411 430 HA GLU 581 HA GLU 581 -4.735 -8.210 -3.985 431 HB2 GLU 581 1HB GLU 581 -6.069 -9.197 -2.259 432 HB3 GLU 581 2HB GLU 581 -7.252 -7.898 -2.349 433 HG2 GLU 581 1HG GLU 581 -7.868 -8.631 -4.604 434 HG3 GLU 581 2HG GLU 581 -6.706 -9.950 -4.483 435 H GLU 582 H GLU 582 -5.543 -8.124 -6.048 436 HA GLU 582 HA GLU 582 -6.070 -5.666 -7.202 437 HB2 GLU 582 1HB GLU 582 -6.467 -8.493 -8.075 438 HB3 GLU 582 2HB GLU 582 -7.174 -7.210 -9.046 439 HG2 GLU 582 1HG GLU 582 -4.433 -6.618 -8.374 440 HG3 GLU 582 2HG GLU 582 -4.578 -8.179 -9.180 441 H VAL 583 H VAL 583 -7.932 -4.642 -7.959 442 HA VAL 583 HA VAL 583 -10.133 -4.561 -6.298 443 HB VAL 583 HB VAL 583 -11.304 -3.345 -8.072 444 HG11 VAL 583 1HG1 VAL 583 -9.789 -2.029 -6.832 445 HG12 VAL 583 2HG1 VAL 583 -8.393 -2.703 -7.674 446 HG13 VAL 583 3HG1 VAL 583 -9.501 -1.624 -8.523 447 HG21 VAL 583 1HG2 VAL 583 -10.655 -4.756 -9.960 448 HG22 VAL 583 2HG2 VAL 583 -10.291 -3.060 -10.277 449 HG23 VAL 583 3HG2 VAL 583 -8.996 -4.171 -9.832 450 H GLN 584 H GLN 584 -12.308 -5.259 -6.534 451 HA GLN 584 HA GLN 584 -12.663 -7.611 -8.269 452 HB2 GLN 584 1HB GLN 584 -13.524 -7.299 -5.390 453 HB3 GLN 584 2HB GLN 584 -14.051 -8.608 -6.439 454 HG2 GLN 584 1HG GLN 584 -11.603 -9.162 -6.751 455 HG3 GLN 584 2HG GLN 584 -11.285 -8.046 -5.424 456 HE21 GLN 584 1HE2 GLN 584 -12.581 -10.150 -2.919 457 HE22 GLN 584 2HE2 GLN 584 -12.249 -8.514 -3.362 458 H SER 585 H SER 585 -14.064 -6.961 -9.774 459 HA SER 585 HA SER 585 -16.026 -4.950 -9.355 460 HB2 SER 585 1HB SER 585 -15.181 -5.248 -11.576 461 HB3 SER 585 2HB SER 585 -15.616 -6.956 -11.579 462 HG SER 585 HG SER 585 -17.300 -4.697 -11.731
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