NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
274780 | 2k9y | 16005 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 523 H GLU 523 10.403 -7.561 -13.003 2 HA GLU 523 HA GLU 523 8.317 -6.331 -12.774 3 HB2 GLU 523 1HB GLU 523 7.706 -8.731 -11.080 4 HB3 GLU 523 2HB GLU 523 6.849 -7.220 -10.812 5 HG2 GLU 523 1HG GLU 523 5.409 -8.019 -12.317 6 HG3 GLU 523 2HG GLU 523 6.604 -7.488 -13.499 7 H PHE 524 H PHE 524 10.761 -5.690 -11.955 8 HA PHE 524 HA PHE 524 11.021 -5.432 -9.124 9 HB2 PHE 524 1HB PHE 524 12.575 -4.705 -11.500 10 HB3 PHE 524 2HB PHE 524 12.710 -3.538 -10.190 11 HD1 PHE 524 2HD PHE 524 13.211 -7.074 -11.110 12 HD2 PHE 524 1HD PHE 524 13.953 -4.019 -8.241 13 HE1 PHE 524 2HE PHE 524 14.848 -8.529 -9.990 14 HE2 PHE 524 1HE PHE 524 15.593 -5.469 -7.116 15 HZ PHE 524 HZ PHE 524 16.041 -7.727 -7.990 16 H GLN 525 H GLN 525 10.229 -3.921 -7.813 17 HA GLN 525 HA GLN 525 9.410 -1.336 -8.917 18 HB2 GLN 525 1HB GLN 525 7.649 -3.155 -7.271 19 HB3 GLN 525 2HB GLN 525 7.300 -1.457 -7.565 20 HG2 GLN 525 1HG GLN 525 7.640 -3.496 -9.748 21 HG3 GLN 525 2HG GLN 525 6.086 -3.057 -9.043 22 HE21 GLN 525 2HE2 GLN 525 6.045 -0.454 -8.842 23 HE22 GLN 525 1HE2 GLN 525 6.302 0.329 -10.360 24 H THR 526 H THR 526 9.609 0.377 -7.524 25 HA THR 526 HA THR 526 10.247 -0.118 -4.724 26 HB THR 526 HB THR 526 12.245 1.485 -4.959 27 HG1 THR 526 1HG THR 526 11.848 2.057 -7.153 28 HG21 THR 526 3HG2 THR 526 12.745 -1.150 -6.294 29 HG22 THR 526 1HG2 THR 526 12.219 -1.089 -4.611 30 HG23 THR 526 2HG2 THR 526 13.724 -0.304 -5.093 31 H LEU 527 H LEU 527 9.013 1.233 -3.611 32 HA LEU 527 HA LEU 527 8.258 3.800 -4.816 33 HB2 LEU 527 1HB LEU 527 7.043 2.132 -2.632 34 HB3 LEU 527 2HB LEU 527 6.560 3.803 -2.916 35 HG LEU 527 HG LEU 527 4.942 2.437 -3.968 36 HD11 LEU 527 1HD1 LEU 527 6.684 3.094 -6.301 37 HD12 LEU 527 2HD1 LEU 527 6.066 4.386 -5.272 38 HD13 LEU 527 3HD1 LEU 527 4.944 3.307 -6.099 39 HD21 LEU 527 3HD2 LEU 527 6.835 1.037 -5.757 40 HD22 LEU 527 1HD2 LEU 527 5.315 0.485 -5.053 41 HD23 LEU 527 2HD2 LEU 527 6.784 0.500 -4.078 42 H SER 528 H SER 528 9.903 5.174 -4.323 43 HA SER 528 HA SER 528 11.367 5.239 -1.946 44 HB2 SER 528 1HB SER 528 12.124 7.438 -2.646 45 HB3 SER 528 2HB SER 528 12.023 6.387 -4.059 46 HG SER 528 HG SER 528 10.752 7.839 -4.866 47 HA PRO 529 HA PRO 529 8.756 7.104 1.049 48 HB2 PRO 529 1HB PRO 529 10.549 8.550 2.485 49 HB3 PRO 529 2HB PRO 529 10.460 6.786 2.556 50 HG2 PRO 529 1HG PRO 529 12.337 8.527 1.003 51 HG3 PRO 529 2HG PRO 529 12.684 7.056 1.929 52 HD2 PRO 529 1HD PRO 529 12.431 7.054 -0.767 53 HD3 PRO 529 2HD PRO 529 11.958 5.668 0.238 54 H GLU 530 H GLU 530 7.331 8.639 0.528 55 HA GLU 530 HA GLU 530 8.323 11.363 0.064 56 HB2 GLU 530 1HB GLU 530 6.048 10.160 -1.512 57 HB3 GLU 530 2HB GLU 530 6.821 11.719 -1.764 58 HG2 GLU 530 1HG GLU 530 8.944 10.092 -2.047 59 HG3 GLU 530 2HG GLU 530 7.656 9.030 -2.613 60 H GLY 531 H GLY 531 7.672 12.263 1.947 61 HA2 GLY 531 1HA GLY 531 4.783 12.105 2.550 62 HA3 GLY 531 2HA GLY 531 5.998 12.046 3.818 63 H SER 532 H SER 532 3.832 13.936 3.526 64 HA SER 532 HA SER 532 5.417 16.409 3.282 65 HB2 SER 532 1HB SER 532 2.539 15.953 2.467 66 HB3 SER 532 2HB SER 532 3.302 17.540 2.551 67 HG SER 532 HG SER 532 4.575 17.037 0.863 68 H GLY 533 H GLY 533 2.648 14.825 4.823 69 HA2 GLY 533 1HA GLY 533 3.262 16.116 7.327 70 HA3 GLY 533 2HA GLY 533 1.768 16.684 6.596 71 H ASN 534 H ASN 534 -0.007 15.677 7.240 72 HA ASN 534 HA ASN 534 0.173 13.250 8.779 73 HB2 ASN 534 1HB ASN 534 -2.149 14.995 7.953 74 HB3 ASN 534 2HB ASN 534 -2.349 13.520 8.894 75 HD21 ASN 534 2HD2 ASN 534 -1.818 16.813 9.015 76 HD22 ASN 534 1HD2 ASN 534 -1.345 16.942 10.672 77 H LEU 535 H LEU 535 -0.501 14.104 5.511 78 HA LEU 535 HA LEU 535 -2.000 11.778 4.816 79 HB2 LEU 535 1HB LEU 535 -0.476 13.782 3.166 80 HB3 LEU 535 2HB LEU 535 -1.405 12.457 2.469 81 HG LEU 535 HG LEU 535 -2.764 14.378 2.305 82 HD11 LEU 535 1HD1 LEU 535 -3.665 12.881 4.762 83 HD12 LEU 535 2HD1 LEU 535 -3.911 12.354 3.096 84 HD13 LEU 535 3HD1 LEU 535 -4.681 13.831 3.678 85 HD21 LEU 535 3HD2 LEU 535 -2.574 14.937 5.238 86 HD22 LEU 535 1HD2 LEU 535 -3.072 16.004 3.926 87 HD23 LEU 535 2HD2 LEU 535 -1.371 15.581 4.121 88 H ALA 536 H ALA 536 1.323 12.417 5.317 89 HA ALA 536 HA ALA 536 2.462 10.482 3.597 90 HB1 ALA 536 1HB ALA 536 3.681 11.282 6.216 91 HB2 ALA 536 2HB ALA 536 4.479 10.879 4.697 92 HB3 ALA 536 3HB ALA 536 3.609 12.405 4.858 93 H VAL 537 H VAL 537 1.137 10.319 6.846 94 HA VAL 537 HA VAL 537 2.120 7.859 7.679 95 HB VAL 537 HB VAL 537 -0.669 8.873 8.231 96 HG11 VAL 537 1HG1 VAL 537 -0.188 7.712 10.446 97 HG12 VAL 537 2HG1 VAL 537 -0.473 6.675 9.046 98 HG13 VAL 537 3HG1 VAL 537 1.171 6.948 9.623 99 HG21 VAL 537 3HG2 VAL 537 1.951 9.904 9.044 100 HG22 VAL 537 1HG2 VAL 537 0.371 10.688 9.046 101 HG23 VAL 537 2HG2 VAL 537 0.832 9.627 10.378 102 H ILE 538 H ILE 538 -0.205 8.587 5.240 103 HA ILE 538 HA ILE 538 -1.672 6.202 5.174 104 HB ILE 538 HB ILE 538 -0.914 7.904 2.799 105 HG12 ILE 538 1HG1 ILE 538 -3.355 8.144 4.565 106 HG13 ILE 538 2HG1 ILE 538 -1.936 9.176 4.709 107 HG21 ILE 538 1HG2 ILE 538 -1.862 5.965 1.939 108 HG22 ILE 538 2HG2 ILE 538 -2.995 5.807 3.281 109 HG23 ILE 538 3HG2 ILE 538 -3.238 7.060 2.063 110 HD11 ILE 538 3HD1 ILE 538 -2.423 9.570 2.141 111 HD12 ILE 538 1HD1 ILE 538 -4.055 9.133 2.643 112 HD13 ILE 538 2HD1 ILE 538 -3.234 10.496 3.402 113 H GLY 539 H GLY 539 1.085 7.127 3.093 114 HA2 GLY 539 1HA GLY 539 1.418 4.613 1.903 115 HA3 GLY 539 2HA GLY 539 2.660 5.850 2.022 116 H GLY 540 H GLY 540 2.931 5.986 4.804 117 HA2 GLY 540 1HA GLY 540 4.825 4.046 5.325 118 HA3 GLY 540 2HA GLY 540 3.977 4.953 6.571 119 H VAL 541 H VAL 541 1.440 4.056 6.434 120 HA VAL 541 HA VAL 541 1.668 1.446 7.602 121 HB VAL 541 HB VAL 541 -0.819 3.044 6.979 122 HG11 VAL 541 1HG1 VAL 541 -0.367 0.403 8.139 123 HG12 VAL 541 2HG1 VAL 541 -1.363 1.458 9.144 124 HG13 VAL 541 3HG1 VAL 541 -1.840 1.116 7.481 125 HG21 VAL 541 3HG2 VAL 541 0.796 2.855 9.520 126 HG22 VAL 541 1HG2 VAL 541 0.673 4.262 8.463 127 HG23 VAL 541 2HG2 VAL 541 -0.744 3.694 9.346 128 H ALA 542 H ALA 542 -0.139 2.730 4.807 129 HA ALA 542 HA ALA 542 -1.212 0.391 3.839 130 HB1 ALA 542 1HB ALA 542 -1.346 2.879 2.998 131 HB2 ALA 542 2HB ALA 542 -0.107 2.329 1.869 132 HB3 ALA 542 3HB ALA 542 -1.679 1.532 1.910 133 H VAL 543 H VAL 543 1.829 1.843 2.649 134 HA VAL 543 HA VAL 543 2.648 -0.296 1.080 135 HB VAL 543 HB VAL 543 4.367 1.687 2.577 136 HG11 VAL 543 1HG1 VAL 543 5.637 0.827 0.224 137 HG12 VAL 543 2HG1 VAL 543 6.127 0.519 1.892 138 HG13 VAL 543 3HG1 VAL 543 5.086 -0.629 1.050 139 HG21 VAL 543 3HG2 VAL 543 4.034 1.932 -0.324 140 HG22 VAL 543 1HG2 VAL 543 2.558 2.191 0.605 141 HG23 VAL 543 2HG2 VAL 543 3.990 3.169 0.932 142 H GLY 544 H GLY 544 3.501 0.419 4.466 143 HA2 GLY 544 1HA GLY 544 5.215 -1.690 4.960 144 HA3 GLY 544 2HA GLY 544 4.159 -0.974 6.169 145 H VAL 545 H VAL 545 1.691 -1.707 4.898 146 HA VAL 545 HA VAL 545 1.367 -4.301 5.996 147 HB VAL 545 HB VAL 545 -0.482 -2.743 4.182 148 HG11 VAL 545 1HG1 VAL 545 -1.168 -4.998 4.070 149 HG12 VAL 545 2HG1 VAL 545 -0.888 -5.250 5.793 150 HG13 VAL 545 3HG1 VAL 545 -2.226 -4.235 5.256 151 HG21 VAL 545 3HG2 VAL 545 0.297 -2.293 6.854 152 HG22 VAL 545 1HG2 VAL 545 -0.988 -1.494 5.948 153 HG23 VAL 545 2HG2 VAL 545 -1.345 -2.933 6.904 154 H VAL 546 H VAL 546 1.625 -3.091 2.680 155 HA VAL 546 HA VAL 546 1.029 -5.432 1.299 156 HB VAL 546 HB VAL 546 3.106 -3.414 0.447 157 HG11 VAL 546 1HG1 VAL 546 1.347 -5.346 -1.053 158 HG12 VAL 546 2HG1 VAL 546 2.235 -4.031 -1.828 159 HG13 VAL 546 3HG1 VAL 546 3.111 -5.312 -0.988 160 HG21 VAL 546 3HG2 VAL 546 0.312 -3.037 0.963 161 HG22 VAL 546 1HG2 VAL 546 1.514 -1.866 0.420 162 HG23 VAL 546 2HG2 VAL 546 0.634 -2.838 -0.759 163 H LEU 547 H LEU 547 4.266 -4.199 2.165 164 HA LEU 547 HA LEU 547 5.764 -6.347 1.280 165 HB2 LEU 547 1HB LEU 547 6.231 -4.559 3.662 166 HB3 LEU 547 2HB LEU 547 7.435 -5.657 2.992 167 HG LEU 547 HG LEU 547 6.216 -3.590 1.217 168 HD11 LEU 547 1HD1 LEU 547 6.885 -2.468 3.357 169 HD12 LEU 547 2HD1 LEU 547 7.744 -1.910 1.921 170 HD13 LEU 547 3HD1 LEU 547 8.535 -3.012 3.049 171 HD21 LEU 547 3HD2 LEU 547 8.053 -5.546 0.820 172 HD22 LEU 547 1HD2 LEU 547 9.093 -4.174 1.202 173 HD23 LEU 547 2HD2 LEU 547 7.947 -4.065 -0.133 174 H LEU 548 H LEU 548 4.304 -5.864 4.484 175 HA LEU 548 HA LEU 548 5.244 -8.215 5.674 176 HB2 LEU 548 1HB LEU 548 4.041 -6.193 6.713 177 HB3 LEU 548 2HB LEU 548 2.554 -7.032 6.277 178 HG LEU 548 HG LEU 548 3.232 -7.342 8.645 179 HD11 LEU 548 1HD1 LEU 548 2.166 -9.152 6.900 180 HD12 LEU 548 2HD1 LEU 548 2.249 -9.348 8.650 181 HD13 LEU 548 3HD1 LEU 548 3.490 -10.066 7.623 182 HD21 LEU 548 3HD2 LEU 548 5.416 -9.144 7.673 183 HD22 LEU 548 1HD2 LEU 548 5.163 -8.457 9.278 184 HD23 LEU 548 2HD2 LEU 548 5.726 -7.430 7.958 185 H LEU 549 H LEU 549 2.427 -7.605 3.655 186 HA LEU 549 HA LEU 549 1.093 -10.038 4.044 187 HB2 LEU 549 1HB LEU 549 0.332 -7.903 2.827 188 HB3 LEU 549 2HB LEU 549 1.136 -8.589 1.418 189 HG LEU 549 HG LEU 549 -1.079 -9.976 2.919 190 HD11 LEU 549 1HD1 LEU 549 -2.650 -9.078 1.512 191 HD12 LEU 549 2HD1 LEU 549 -1.470 -8.693 0.259 192 HD13 LEU 549 3HD1 LEU 549 -1.566 -7.700 1.714 193 HD21 LEU 549 3HD2 LEU 549 0.559 -10.571 0.517 194 HD22 LEU 549 1HD2 LEU 549 -1.146 -11.019 0.481 195 HD23 LEU 549 2HD2 LEU 549 -0.094 -11.658 1.744 196 H VAL 550 H VAL 550 3.706 -9.137 1.857 197 HA VAL 550 HA VAL 550 3.707 -11.498 0.308 198 HB VAL 550 HB VAL 550 5.998 -9.623 0.908 199 HG11 VAL 550 1HG1 VAL 550 6.776 -11.784 0.085 200 HG12 VAL 550 2HG1 VAL 550 5.679 -11.664 -1.291 201 HG13 VAL 550 3HG1 VAL 550 7.015 -10.524 -1.124 202 HG21 VAL 550 3HG2 VAL 550 4.300 -9.677 -1.571 203 HG22 VAL 550 1HG2 VAL 550 3.891 -8.683 -0.171 204 HG23 VAL 550 2HG2 VAL 550 5.412 -8.421 -1.026 205 H LEU 551 H LEU 551 5.912 -10.514 2.939 206 HA LEU 551 HA LEU 551 7.338 -12.860 3.180 207 HB2 LEU 551 1HB LEU 551 6.563 -10.743 5.145 208 HB3 LEU 551 2HB LEU 551 7.455 -12.165 5.681 209 HG LEU 551 HG LEU 551 8.972 -10.320 5.310 210 HD11 LEU 551 1HD1 LEU 551 9.538 -11.989 2.931 211 HD12 LEU 551 2HD1 LEU 551 9.377 -12.817 4.479 212 HD13 LEU 551 3HD1 LEU 551 10.581 -11.543 4.283 213 HD21 LEU 551 3HD2 LEU 551 9.264 -9.326 3.103 214 HD22 LEU 551 1HD2 LEU 551 7.623 -9.071 3.697 215 HD23 LEU 551 2HD2 LEU 551 7.937 -10.305 2.476 216 H ALA 552 H ALA 552 4.196 -12.037 4.553 217 HA ALA 552 HA ALA 552 3.909 -14.271 6.236 218 HB1 ALA 552 1HB ALA 552 2.462 -12.391 6.515 219 HB2 ALA 552 2HB ALA 552 1.843 -12.556 4.871 220 HB3 ALA 552 3HB ALA 552 1.468 -13.783 6.082 221 H GLY 553 H GLY 553 2.034 -13.780 3.247 222 HA2 GLY 553 1HA GLY 553 1.267 -16.415 2.897 223 HA3 GLY 553 2HA GLY 553 1.414 -15.247 1.593 224 H VAL 554 H VAL 554 3.960 -14.798 1.203 225 HA VAL 554 HA VAL 554 4.922 -17.133 -0.038 226 HB VAL 554 HB VAL 554 6.595 -14.728 0.681 227 HG11 VAL 554 1HG1 VAL 554 7.745 -15.327 -1.450 228 HG12 VAL 554 2HG1 VAL 554 7.902 -16.541 -0.179 229 HG13 VAL 554 3HG1 VAL 554 6.769 -16.794 -1.507 230 HG21 VAL 554 3HG2 VAL 554 5.206 -13.489 -0.543 231 HG22 VAL 554 1HG2 VAL 554 5.711 -14.439 -1.942 232 HG23 VAL 554 2HG2 VAL 554 4.274 -14.905 -1.034 233 H GLY 555 H GLY 555 5.078 -16.126 3.195 234 HA2 GLY 555 1HA GLY 555 7.589 -17.313 3.892 235 HA3 GLY 555 2HA GLY 555 6.334 -16.798 5.010 236 H PHE 556 H PHE 556 4.206 -18.343 4.287 237 HA PHE 556 HA PHE 556 5.124 -20.981 5.139 238 HB2 PHE 556 1HB PHE 556 3.388 -20.225 6.528 239 HB3 PHE 556 2HB PHE 556 2.461 -19.586 5.175 240 HD1 PHE 556 2HD PHE 556 1.090 -21.038 3.809 241 HD2 PHE 556 1HD PHE 556 3.329 -22.573 7.087 242 HE1 PHE 556 2HE PHE 556 -0.221 -23.117 3.725 243 HE2 PHE 556 1HE PHE 556 2.022 -24.656 7.009 244 HZ PHE 556 HZ PHE 556 0.243 -24.929 5.327 245 H PHE 557 H PHE 557 3.392 -19.400 2.521 246 HA PHE 557 HA PHE 557 2.476 -21.680 1.175 247 HB2 PHE 557 1HB PHE 557 1.706 -19.409 0.642 248 HB3 PHE 557 2HB PHE 557 3.302 -19.009 0.018 249 HD1 PHE 557 1HD PHE 557 1.525 -22.201 -0.509 250 HD2 PHE 557 2HD PHE 557 2.729 -18.489 -2.206 251 HE1 PHE 557 1HE PHE 557 0.851 -23.004 -2.735 252 HE2 PHE 557 2HE PHE 557 2.055 -19.285 -4.435 253 HZ PHE 557 HZ PHE 557 1.115 -21.546 -4.701 254 H ILE 558 H ILE 558 5.634 -20.460 1.580 255 HA ILE 558 HA ILE 558 6.695 -21.785 -0.782 256 HB ILE 558 HB ILE 558 7.578 -19.570 0.029 257 HG12 ILE 558 1HG1 ILE 558 10.071 -20.845 0.083 258 HG13 ILE 558 2HG1 ILE 558 9.033 -21.918 -0.851 259 HG21 ILE 558 1HG2 ILE 558 9.256 -20.984 2.020 260 HG22 ILE 558 2HG2 ILE 558 8.683 -19.315 1.997 261 HG23 ILE 558 3HG2 ILE 558 7.591 -20.616 2.475 262 HD11 ILE 558 3HD1 ILE 558 10.257 -19.448 -1.617 263 HD12 ILE 558 1HD1 ILE 558 9.393 -20.626 -2.605 264 HD13 ILE 558 2HD1 ILE 558 8.506 -19.338 -1.790 265 H HIS 559 H HIS 559 6.456 -22.265 2.667 266 HA HIS 559 HA HIS 559 7.661 -24.921 2.328 267 HB2 HIS 559 1HB HIS 559 8.284 -22.914 4.496 268 HB3 HIS 559 2HB HIS 559 8.649 -24.630 4.652 269 HD1 HIS 559 1HD HIS 559 10.668 -22.078 4.408 270 HD2 HIS 559 2HD HIS 559 9.864 -24.994 1.561 271 HE1 HIS 559 1HE HIS 559 12.672 -22.104 2.889 272 H ARG 560 H ARG 560 5.059 -24.822 2.169 273 HA ARG 560 HA ARG 560 3.736 -24.903 4.721 274 HB2 ARG 560 1HB ARG 560 1.780 -25.691 3.365 275 HB3 ARG 560 2HB ARG 560 2.453 -24.151 2.845 276 HG2 ARG 560 1HG ARG 560 3.593 -26.482 1.490 277 HG3 ARG 560 2HG ARG 560 1.868 -26.234 1.205 278 HD2 ARG 560 1HD ARG 560 2.199 -24.157 0.226 279 HD3 ARG 560 2HD ARG 560 3.776 -23.941 0.986 280 HE ARG 560 HE ARG 560 4.720 -24.983 -0.809 281 HH11 ARG 560 1HH1 ARG 560 1.339 -25.802 -0.699 282 HH12 ARG 560 2HH1 ARG 560 1.362 -26.656 -2.206 283 HH21 ARG 560 1HH2 ARG 560 4.764 -26.105 -2.794 284 HH22 ARG 560 2HH2 ARG 560 3.312 -26.828 -3.397 285 H ARG 561 H ARG 561 5.277 -27.178 2.605 286 HA ARG 561 HA ARG 561 4.526 -29.346 4.450 287 HB2 ARG 561 1HB ARG 561 4.779 -29.454 1.443 288 HB3 ARG 561 2HB ARG 561 4.717 -30.887 2.460 289 HG2 ARG 561 1HG ARG 561 2.507 -30.798 2.567 290 HG3 ARG 561 2HG ARG 561 2.542 -29.111 3.084 291 HD2 ARG 561 1HD ARG 561 2.837 -28.449 0.710 292 HD3 ARG 561 2HD ARG 561 2.645 -30.141 0.252 293 HE ARG 561 HE ARG 561 0.573 -28.305 0.927 294 HH11 ARG 561 1HH1 ARG 561 1.495 -31.658 1.073 295 HH12 ARG 561 2HH1 ARG 561 -0.137 -32.241 1.096 296 HH21 ARG 561 1HH2 ARG 561 -1.580 -29.059 0.957 297 HH22 ARG 561 2HH2 ARG 561 -1.885 -30.761 1.029 298 H ARG 562 H ARG 562 6.887 -27.512 4.255 299 HA ARG 562 HA ARG 562 9.151 -27.596 4.462 300 HB2 ARG 562 1HB ARG 562 8.670 -30.521 5.052 301 HB3 ARG 562 2HB ARG 562 10.093 -29.586 5.491 302 HG2 ARG 562 1HG ARG 562 7.911 -28.200 6.565 303 HG3 ARG 562 2HG ARG 562 7.619 -29.908 6.901 304 HD2 ARG 562 1HD ARG 562 10.313 -28.711 7.408 305 HD3 ARG 562 2HD ARG 562 9.008 -28.479 8.572 306 HE ARG 562 HE ARG 562 9.022 -31.159 8.138 307 HH11 ARG 562 1HH1 ARG 562 11.446 -28.841 9.074 308 HH12 ARG 562 2HH1 ARG 562 12.360 -29.977 10.007 309 HH21 ARG 562 1HH2 ARG 562 10.216 -32.666 9.367 310 HH22 ARG 562 2HH2 ARG 562 11.660 -32.154 10.174 311 H LYS 563 H LYS 563 11.158 -29.114 3.777 312 HA LYS 563 HA LYS 563 10.699 -29.779 0.943 313 HB2 LYS 563 1HB LYS 563 13.098 -29.193 0.604 314 HB3 LYS 563 2HB LYS 563 12.103 -27.835 1.116 315 HG2 LYS 563 1HG LYS 563 13.297 -27.527 2.968 316 HG3 LYS 563 2HG LYS 563 13.295 -29.249 3.357 317 HD2 LYS 563 1HD LYS 563 15.045 -29.470 1.492 318 HD3 LYS 563 2HD LYS 563 15.198 -27.716 1.609 319 HE2 LYS 563 1HE LYS 563 16.333 -27.831 3.540 320 HE3 LYS 563 2HE LYS 563 15.278 -29.084 4.192 321 HZ1 LYS 563 3HZ LYS 563 16.885 -30.538 3.811 322 HZ2 LYS 563 1HZ LYS 563 17.855 -29.353 3.091 323 HZ3 LYS 563 2HZ LYS 563 16.767 -30.242 2.149 324 H1 GLU 523 H GLU 523 0.815 6.490 -19.175 325 HA GLU 523 HA GLU 523 -1.513 6.433 -19.494 326 HB2 GLU 523 1HB GLU 523 -0.500 4.529 -17.973 327 HB3 GLU 523 2HB GLU 523 -1.498 5.280 -16.737 328 HG2 GLU 523 1HG GLU 523 -3.326 5.084 -18.657 329 HG3 GLU 523 2HG GLU 523 -2.284 3.747 -19.138 330 H PHE 524 H PHE 524 -0.495 7.920 -16.492 331 HA PHE 524 HA PHE 524 -3.091 8.844 -15.737 332 HB2 PHE 524 1HB PHE 524 -0.294 9.464 -14.823 333 HB3 PHE 524 2HB PHE 524 -1.665 10.398 -14.232 334 HD1 PHE 524 2HD PHE 524 -3.674 8.922 -13.344 335 HD2 PHE 524 1HD PHE 524 0.373 7.636 -13.614 336 HE1 PHE 524 2HE PHE 524 -4.111 7.204 -11.637 337 HE2 PHE 524 1HE PHE 524 -0.056 5.915 -11.909 338 HZ PHE 524 HZ PHE 524 -2.299 5.698 -10.917 339 H GLN 525 H GLN 525 -4.169 10.562 -16.448 340 HA GLN 525 HA GLN 525 -2.697 12.776 -17.678 341 HB2 GLN 525 1HB GLN 525 -5.164 11.554 -18.922 342 HB3 GLN 525 2HB GLN 525 -4.195 12.874 -19.568 343 HG2 GLN 525 1HG GLN 525 -2.279 11.078 -19.465 344 HG3 GLN 525 2HG GLN 525 -3.638 9.956 -19.517 345 HE21 GLN 525 2HE2 GLN 525 -1.478 11.643 -21.347 346 HE22 GLN 525 1HE2 GLN 525 -2.316 11.633 -22.857 347 H THR 526 H THR 526 -4.690 14.417 -18.405 348 HA THR 526 HA THR 526 -5.960 16.087 -17.492 349 HB THR 526 HB THR 526 -7.995 15.146 -16.182 350 HG1 THR 526 1HG THR 526 -7.129 12.723 -17.381 351 HG21 THR 526 3HG2 THR 526 -8.992 14.291 -18.328 352 HG22 THR 526 1HG2 THR 526 -7.397 14.468 -19.059 353 HG23 THR 526 2HG2 THR 526 -8.245 15.884 -18.437 354 H LEU 527 H LEU 527 -4.257 16.856 -16.105 355 HA LEU 527 HA LEU 527 -4.806 16.342 -13.258 356 HB2 LEU 527 1HB LEU 527 -2.376 16.905 -12.886 357 HB3 LEU 527 2HB LEU 527 -2.711 15.354 -13.653 358 HG LEU 527 HG LEU 527 -2.128 17.664 -15.426 359 HD11 LEU 527 1HD1 LEU 527 -0.435 17.157 -13.289 360 HD12 LEU 527 2HD1 LEU 527 -0.037 18.026 -14.771 361 HD13 LEU 527 3HD1 LEU 527 0.298 16.299 -14.644 362 HD21 LEU 527 3HD2 LEU 527 -2.590 15.042 -15.857 363 HD22 LEU 527 1HD2 LEU 527 -0.830 15.038 -15.733 364 HD23 LEU 527 2HD2 LEU 527 -1.628 16.061 -16.928 365 H SER 528 H SER 528 -5.083 18.081 -11.970 366 HA SER 528 HA SER 528 -5.500 20.626 -13.187 367 HB2 SER 528 1HB SER 528 -6.271 21.350 -11.058 368 HB3 SER 528 2HB SER 528 -6.764 19.662 -11.192 369 HG SER 528 HG SER 528 -5.797 19.574 -9.306 370 HA PRO 529 HA PRO 529 -1.583 22.545 -12.699 371 HB2 PRO 529 1HB PRO 529 -2.319 25.116 -12.236 372 HB3 PRO 529 2HB PRO 529 -2.464 24.346 -13.821 373 HG2 PRO 529 1HG PRO 529 -4.561 24.788 -11.732 374 HG3 PRO 529 2HG PRO 529 -4.669 25.005 -13.488 375 HD2 PRO 529 1HD PRO 529 -5.645 22.817 -12.228 376 HD3 PRO 529 2HD PRO 529 -4.981 22.754 -13.873 377 H GLU 530 H GLU 530 -3.886 22.553 -10.143 378 HA GLU 530 HA GLU 530 -1.779 22.662 -8.175 379 HB2 GLU 530 1HB GLU 530 -3.070 24.471 -6.875 380 HB3 GLU 530 2HB GLU 530 -2.055 24.983 -8.214 381 HG2 GLU 530 1HG GLU 530 -3.973 25.208 -9.647 382 HG3 GLU 530 2HG GLU 530 -5.027 24.555 -8.393 383 H GLY 531 H GLY 531 -2.254 20.905 -7.030 384 HA2 GLY 531 1HA GLY 531 -5.061 20.528 -6.186 385 HA3 GLY 531 2HA GLY 531 -4.047 19.182 -6.680 386 H SER 532 H SER 532 -5.425 20.209 -4.077 387 HA SER 532 HA SER 532 -3.104 20.178 -2.299 388 HB2 SER 532 1HB SER 532 -6.029 20.643 -1.667 389 HB3 SER 532 2HB SER 532 -4.687 20.815 -0.534 390 HG SER 532 HG SER 532 -4.660 22.799 -1.231 391 H GLY 533 H GLY 533 -3.325 17.783 -3.483 392 HA2 GLY 533 1HA GLY 533 -3.831 16.043 -1.248 393 HA3 GLY 533 2HA GLY 533 -4.976 15.822 -2.561 394 H ASN 534 H ASN 534 -1.574 16.663 -2.922 395 HA ASN 534 HA ASN 534 -1.133 14.652 -4.857 396 HB2 ASN 534 1HB ASN 534 0.758 16.399 -3.279 397 HB3 ASN 534 2HB ASN 534 1.309 15.269 -4.513 398 HD21 ASN 534 2HD2 ASN 534 0.501 15.567 -6.685 399 HD22 ASN 534 1HD2 ASN 534 0.108 17.159 -7.231 400 H LEU 535 H LEU 535 -0.880 14.700 -1.405 401 HA LEU 535 HA LEU 535 0.766 12.333 -1.247 402 HB2 LEU 535 1HB LEU 535 -0.751 13.883 0.846 403 HB3 LEU 535 2HB LEU 535 0.275 12.492 1.191 404 HG LEU 535 HG LEU 535 1.573 14.370 1.728 405 HD11 LEU 535 1HD1 LEU 535 2.719 12.672 0.338 406 HD12 LEU 535 2HD1 LEU 535 3.413 14.285 0.184 407 HD13 LEU 535 3HD1 LEU 535 2.370 13.650 -1.088 408 HD21 LEU 535 3HD2 LEU 535 1.481 15.763 -0.841 409 HD22 LEU 535 1HD2 LEU 535 1.389 16.400 0.802 410 HD23 LEU 535 2HD2 LEU 535 -0.057 15.754 0.024 411 H ALA 536 H ALA 536 -2.574 13.062 -1.506 412 HA ALA 536 HA ALA 536 -3.691 10.816 -0.225 413 HB1 ALA 536 1HB ALA 536 -4.861 12.934 -1.053 414 HB2 ALA 536 2HB ALA 536 -4.915 12.136 -2.626 415 HB3 ALA 536 3HB ALA 536 -5.717 11.402 -1.237 416 H VAL 537 H VAL 537 -2.406 11.302 -3.460 417 HA VAL 537 HA VAL 537 -3.385 9.051 -4.749 418 HB VAL 537 HB VAL 537 -0.602 10.163 -5.111 419 HG11 VAL 537 1HG1 VAL 537 -2.445 8.549 -6.851 420 HG12 VAL 537 2HG1 VAL 537 -1.073 9.449 -7.500 421 HG13 VAL 537 3HG1 VAL 537 -0.808 8.157 -6.330 422 HG21 VAL 537 3HG2 VAL 537 -2.203 11.274 -7.063 423 HG22 VAL 537 1HG2 VAL 537 -3.204 11.361 -5.614 424 HG23 VAL 537 2HG2 VAL 537 -1.602 12.095 -5.623 425 H ILE 538 H ILE 538 -1.005 9.300 -2.257 426 HA ILE 538 HA ILE 538 0.450 6.948 -2.667 427 HB ILE 538 HB ILE 538 -0.281 8.165 -0.001 428 HG12 ILE 538 1HG1 ILE 538 2.162 8.707 -1.696 429 HG13 ILE 538 2HG1 ILE 538 0.750 9.759 -1.654 430 HG21 ILE 538 1HG2 ILE 538 1.751 6.156 -0.883 431 HG22 ILE 538 2HG2 ILE 538 2.057 7.176 0.522 432 HG23 ILE 538 3HG2 ILE 538 0.654 6.108 0.497 433 HD11 ILE 538 3HD1 ILE 538 2.862 9.325 0.375 434 HD12 ILE 538 1HD1 ILE 538 2.051 10.809 -0.125 435 HD13 ILE 538 2HD1 ILE 538 1.230 9.673 0.945 436 H GLY 539 H GLY 539 -2.286 7.441 -0.420 437 HA2 GLY 539 1HA GLY 539 -2.604 4.742 0.260 438 HA3 GLY 539 2HA GLY 539 -3.849 5.975 0.400 439 H GLY 540 H GLY 540 -4.134 6.651 -2.308 440 HA2 GLY 540 1HA GLY 540 -6.042 4.853 -3.177 441 HA3 GLY 540 2HA GLY 540 -5.199 5.980 -4.231 442 H VAL 541 H VAL 541 -2.661 5.065 -4.283 443 HA VAL 541 HA VAL 541 -2.912 2.724 -5.926 444 HB VAL 541 HB VAL 541 -0.413 4.181 -5.051 445 HG11 VAL 541 1HG1 VAL 541 0.567 3.110 -7.076 446 HG12 VAL 541 2HG1 VAL 541 0.136 1.971 -5.800 447 HG13 VAL 541 3HG1 VAL 541 -0.901 2.142 -7.217 448 HG21 VAL 541 3HG2 VAL 541 -1.167 4.569 -7.799 449 HG22 VAL 541 1HG2 VAL 541 -2.479 5.057 -6.727 450 HG23 VAL 541 2HG2 VAL 541 -0.876 5.768 -6.539 451 H ALA 542 H ALA 542 -1.082 3.468 -2.958 452 HA ALA 542 HA ALA 542 0.017 0.997 -2.460 453 HB1 ALA 542 1HB ALA 542 0.482 1.746 -0.344 454 HB2 ALA 542 2HB ALA 542 0.155 3.275 -1.161 455 HB3 ALA 542 3HB ALA 542 -1.088 2.530 -0.156 456 H VAL 543 H VAL 543 -3.050 2.174 -1.055 457 HA VAL 543 HA VAL 543 -3.834 -0.234 0.105 458 HB VAL 543 HB VAL 543 -5.572 1.989 -0.972 459 HG11 VAL 543 1HG1 VAL 543 -6.834 0.683 1.167 460 HG12 VAL 543 2HG1 VAL 543 -7.321 0.692 -0.530 461 HG13 VAL 543 3HG1 VAL 543 -6.270 -0.587 0.082 462 HG21 VAL 543 3HG2 VAL 543 -4.547 1.436 1.812 463 HG22 VAL 543 1HG2 VAL 543 -3.995 2.720 0.737 464 HG23 VAL 543 2HG2 VAL 543 -5.645 2.739 1.358 465 H GLY 544 H GLY 544 -4.706 1.108 -3.078 466 HA2 GLY 544 1HA GLY 544 -6.411 -0.878 -3.959 467 HA3 GLY 544 2HA GLY 544 -5.368 0.064 -5.013 468 H VAL 545 H VAL 545 -2.888 -0.881 -3.917 469 HA VAL 545 HA VAL 545 -2.555 -3.213 -5.494 470 HB VAL 545 HB VAL 545 -0.702 -2.020 -3.426 471 HG11 VAL 545 1HG1 VAL 545 0.980 -3.266 -5.017 472 HG12 VAL 545 2HG1 VAL 545 0.188 -4.117 -3.689 473 HG13 VAL 545 3HG1 VAL 545 -0.420 -4.289 -5.337 474 HG21 VAL 545 3HG2 VAL 545 -0.248 -0.437 -4.917 475 HG22 VAL 545 1HG2 VAL 545 0.160 -1.660 -6.120 476 HG23 VAL 545 2HG2 VAL 545 -1.500 -1.086 -5.975 477 H VAL 546 H VAL 546 -2.778 -2.663 -2.004 478 HA VAL 546 HA VAL 546 -2.158 -5.214 -1.096 479 HB VAL 546 HB VAL 546 -4.260 -3.424 0.125 480 HG11 VAL 546 1HG1 VAL 546 -4.238 -5.555 1.176 481 HG12 VAL 546 2HG1 VAL 546 -2.473 -5.581 1.230 482 HG13 VAL 546 3HG1 VAL 546 -3.372 -4.449 2.240 483 HG21 VAL 546 3HG2 VAL 546 -1.472 -2.916 -0.312 484 HG22 VAL 546 1HG2 VAL 546 -2.688 -1.887 0.446 485 HG23 VAL 546 2HG2 VAL 546 -1.791 -3.055 1.418 486 H LEU 547 H LEU 547 -5.418 -3.887 -1.696 487 HA LEU 547 HA LEU 547 -6.878 -6.189 -1.240 488 HB2 LEU 547 1HB LEU 547 -7.450 -4.079 -3.316 489 HB3 LEU 547 2HB LEU 547 -8.617 -5.208 -2.631 490 HG LEU 547 HG LEU 547 -7.171 -3.326 -0.819 491 HD11 LEU 547 1HD1 LEU 547 -8.380 -2.287 -2.997 492 HD12 LEU 547 2HD1 LEU 547 -8.303 -1.481 -1.430 493 HD13 LEU 547 3HD1 LEU 547 -9.746 -2.387 -1.885 494 HD21 LEU 547 3HD2 LEU 547 -9.952 -4.494 -0.827 495 HD22 LEU 547 1HD2 LEU 547 -9.254 -3.484 0.439 496 HD23 LEU 547 2HD2 LEU 547 -8.585 -5.084 0.119 497 H LEU 548 H LEU 548 -5.459 -5.064 -4.298 498 HA LEU 548 HA LEU 548 -6.372 -7.155 -5.916 499 HB2 LEU 548 1HB LEU 548 -5.218 -4.946 -6.551 500 HB3 LEU 548 2HB LEU 548 -3.711 -5.825 -6.301 501 HG LEU 548 HG LEU 548 -4.416 -5.678 -8.677 502 HD11 LEU 548 1HD1 LEU 548 -4.612 -8.553 -8.208 503 HD12 LEU 548 2HD1 LEU 548 -3.297 -7.777 -7.328 504 HD13 LEU 548 3HD1 LEU 548 -3.395 -7.624 -9.082 505 HD21 LEU 548 3HD2 LEU 548 -6.351 -6.614 -9.493 506 HD22 LEU 548 1HD2 LEU 548 -6.906 -5.990 -7.939 507 HD23 LEU 548 2HD2 LEU 548 -6.533 -7.704 -8.117 508 H LEU 549 H LEU 549 -3.543 -6.894 -3.839 509 HA LEU 549 HA LEU 549 -2.165 -9.172 -4.706 510 HB2 LEU 549 1HB LEU 549 -1.442 -7.306 -3.089 511 HB3 LEU 549 2HB LEU 549 -2.219 -8.280 -1.843 512 HG LEU 549 HG LEU 549 0.018 -9.278 -3.599 513 HD11 LEU 549 1HD1 LEU 549 0.463 -7.291 -1.954 514 HD12 LEU 549 2HD1 LEU 549 1.574 -8.658 -2.030 515 HD13 LEU 549 3HD1 LEU 549 0.386 -8.559 -0.730 516 HD21 LEU 549 3HD2 LEU 549 -1.598 -10.397 -1.377 517 HD22 LEU 549 1HD2 LEU 549 0.119 -10.798 -1.427 518 HD23 LEU 549 2HD2 LEU 549 -0.918 -11.191 -2.799 519 H VAL 550 H VAL 550 -4.768 -8.783 -2.361 520 HA VAL 550 HA VAL 550 -4.711 -11.410 -1.326 521 HB VAL 550 HB VAL 550 -7.044 -9.499 -1.512 522 HG11 VAL 550 1HG1 VAL 550 -6.655 -11.934 0.226 523 HG12 VAL 550 2HG1 VAL 550 -8.017 -10.814 0.305 524 HG13 VAL 550 3HG1 VAL 550 -7.767 -11.801 -1.136 525 HG21 VAL 550 3HG2 VAL 550 -5.225 -10.016 0.833 526 HG22 VAL 550 1HG2 VAL 550 -5.008 -8.680 -0.297 527 HG23 VAL 550 2HG2 VAL 550 -6.469 -8.774 0.684 528 H LEU 551 H LEU 551 -6.973 -9.957 -3.676 529 HA LEU 551 HA LEU 551 -8.356 -12.234 -4.379 530 HB2 LEU 551 1HB LEU 551 -7.653 -9.742 -5.875 531 HB3 LEU 551 2HB LEU 551 -8.525 -11.044 -6.682 532 HG LEU 551 HG LEU 551 -10.071 -9.347 -5.924 533 HD11 LEU 551 1HD1 LEU 551 -10.650 -11.803 -5.814 534 HD12 LEU 551 2HD1 LEU 551 -11.625 -10.731 -4.808 535 HD13 LEU 551 3HD1 LEU 551 -10.348 -11.705 -4.078 536 HD21 LEU 551 3HD2 LEU 551 -8.722 -8.428 -4.103 537 HD22 LEU 551 1HD2 LEU 551 -8.995 -9.891 -3.158 538 HD23 LEU 551 2HD2 LEU 551 -10.350 -8.833 -3.558 539 H ALA 552 H ALA 552 -5.271 -11.058 -5.629 540 HA ALA 552 HA ALA 552 -4.971 -12.921 -7.714 541 HB1 ALA 552 1HB ALA 552 -3.185 -11.088 -6.232 542 HB2 ALA 552 2HB ALA 552 -2.419 -12.418 -7.102 543 HB3 ALA 552 3HB ALA 552 -3.441 -11.272 -7.967 544 H GLY 553 H GLY 553 -3.019 -12.936 -4.732 545 HA2 GLY 553 1HA GLY 553 -2.145 -15.549 -4.901 546 HA3 GLY 553 2HA GLY 553 -2.318 -14.666 -3.392 547 H VAL 554 H VAL 554 -4.864 -14.425 -2.881 548 HA VAL 554 HA VAL 554 -5.702 -17.000 -2.121 549 HB VAL 554 HB VAL 554 -7.484 -14.575 -2.325 550 HG11 VAL 554 1HG1 VAL 554 -8.576 -15.639 -0.351 551 HG12 VAL 554 2HG1 VAL 554 -8.704 -16.580 -1.839 552 HG13 VAL 554 3HG1 VAL 554 -7.541 -17.043 -0.597 553 HG21 VAL 554 3HG2 VAL 554 -6.554 -14.801 0.297 554 HG22 VAL 554 1HG2 VAL 554 -5.125 -14.980 -0.720 555 HG23 VAL 554 2HG2 VAL 554 -6.144 -13.549 -0.875 556 H GLY 555 H GLY 555 -5.984 -15.365 -5.082 557 HA2 GLY 555 1HA GLY 555 -8.453 -16.499 -5.975 558 HA3 GLY 555 2HA GLY 555 -7.236 -15.730 -6.983 559 H PHE 556 H PHE 556 -5.043 -17.307 -6.588 560 HA PHE 556 HA PHE 556 -5.886 -19.768 -7.920 561 HB2 PHE 556 1HB PHE 556 -4.227 -18.687 -9.183 562 HB3 PHE 556 2HB PHE 556 -3.281 -18.278 -7.755 563 HD1 PHE 556 2HD PHE 556 -4.111 -20.892 -10.169 564 HD2 PHE 556 1HD PHE 556 -1.803 -19.891 -6.736 565 HE1 PHE 556 2HE PHE 556 -2.725 -22.893 -10.522 566 HE2 PHE 556 1HE PHE 556 -0.412 -21.891 -7.084 567 HZ PHE 556 HZ PHE 556 -0.873 -23.396 -8.977 568 H PHE 557 H PHE 557 -4.504 -18.629 -4.966 569 HA PHE 557 HA PHE 557 -3.358 -21.108 -4.134 570 HB2 PHE 557 1HB PHE 557 -2.615 -18.931 -3.231 571 HB3 PHE 557 2HB PHE 557 -4.187 -18.721 -2.470 572 HD1 PHE 557 2HD PHE 557 -2.318 -21.895 -2.651 573 HD2 PHE 557 1HD PHE 557 -3.492 -18.606 -0.219 574 HE1 PHE 557 2HE PHE 557 -1.508 -23.085 -0.657 575 HE2 PHE 557 1HE PHE 557 -2.683 -19.792 1.780 576 HZ PHE 557 HZ PHE 557 -1.690 -22.035 1.563 577 H ILE 558 H ILE 558 -6.513 -20.133 -4.511 578 HA ILE 558 HA ILE 558 -7.608 -21.554 -2.234 579 HB ILE 558 HB ILE 558 -8.706 -19.510 -3.099 580 HG12 ILE 558 1HG1 ILE 558 -10.583 -21.824 -3.513 581 HG13 ILE 558 2HG1 ILE 558 -9.893 -21.497 -1.927 582 HG21 ILE 558 1HG2 ILE 558 -8.236 -20.497 -5.564 583 HG22 ILE 558 2HG2 ILE 558 -9.931 -20.938 -5.364 584 HG23 ILE 558 3HG2 ILE 558 -9.435 -19.252 -5.216 585 HD11 ILE 558 3HD1 ILE 558 -10.979 -19.097 -3.081 586 HD12 ILE 558 1HD1 ILE 558 -12.184 -20.382 -3.034 587 HD13 ILE 558 2HD1 ILE 558 -11.364 -19.889 -1.552 588 H HIS 559 H HIS 559 -6.815 -22.191 -5.528 589 HA HIS 559 HA HIS 559 -7.772 -24.933 -5.213 590 HB2 HIS 559 1HB HIS 559 -8.597 -24.826 -7.637 591 HB3 HIS 559 2HB HIS 559 -9.604 -24.058 -6.412 592 HD1 HIS 559 1HD HIS 559 -6.691 -22.838 -8.554 593 HD2 HIS 559 2HD HIS 559 -10.519 -21.722 -7.388 594 HE1 HIS 559 1HE HIS 559 -7.111 -20.619 -9.660 595 H ARG 560 H ARG 560 -5.150 -23.636 -5.188 596 HA ARG 560 HA ARG 560 -3.780 -24.021 -7.616 597 HB2 ARG 560 1HB ARG 560 -1.763 -23.806 -6.345 598 HB3 ARG 560 2HB ARG 560 -2.947 -22.707 -5.652 599 HG2 ARG 560 1HG ARG 560 -2.291 -23.592 -3.706 600 HG3 ARG 560 2HG ARG 560 -3.363 -24.922 -4.150 601 HD2 ARG 560 1HD ARG 560 -1.509 -26.152 -5.094 602 HD3 ARG 560 2HD ARG 560 -0.421 -24.796 -4.799 603 HE ARG 560 HE ARG 560 -0.279 -25.423 -2.592 604 HH11 ARG 560 1HH1 ARG 560 -2.884 -27.144 -4.133 605 HH12 ARG 560 2HH1 ARG 560 -3.135 -28.221 -2.798 606 HH21 ARG 560 1HH2 ARG 560 -0.599 -26.835 -0.830 607 HH22 ARG 560 2HH2 ARG 560 -1.835 -28.043 -0.919 608 H ARG 561 H ARG 561 -3.101 -25.797 -8.621 609 HA ARG 561 HA ARG 561 -2.761 -27.996 -9.109 610 HB2 ARG 561 1HB ARG 561 -1.797 -27.969 -6.245 611 HB3 ARG 561 2HB ARG 561 -1.573 -29.322 -7.345 612 HG2 ARG 561 1HG ARG 561 -0.631 -27.021 -8.674 613 HG3 ARG 561 2HG ARG 561 0.018 -26.983 -7.033 614 HD2 ARG 561 1HD ARG 561 1.135 -29.002 -7.294 615 HD3 ARG 561 2HD ARG 561 0.117 -29.501 -8.644 616 HE ARG 561 HE ARG 561 1.558 -27.203 -9.375 617 HH11 ARG 561 1HH1 ARG 561 2.054 -30.581 -8.695 618 HH12 ARG 561 2HH1 ARG 561 3.437 -30.720 -9.730 619 HH21 ARG 561 1HH2 ARG 561 3.377 -27.373 -10.740 620 HH22 ARG 561 2HH2 ARG 561 4.189 -28.894 -10.892 621 H ARG 562 H ARG 562 -5.350 -27.113 -7.863 622 HA ARG 562 HA ARG 562 -7.342 -28.056 -7.294 623 HB2 ARG 562 1HB ARG 562 -5.869 -30.569 -8.090 624 HB3 ARG 562 2HB ARG 562 -7.573 -30.540 -7.658 625 HG2 ARG 562 1HG ARG 562 -7.207 -28.533 -9.592 626 HG3 ARG 562 2HG ARG 562 -6.335 -29.958 -10.163 627 HD2 ARG 562 1HD ARG 562 -9.118 -30.208 -9.094 628 HD3 ARG 562 2HD ARG 562 -8.846 -29.673 -10.752 629 HE ARG 562 HE ARG 562 -8.564 -32.328 -9.732 630 HH11 ARG 562 1HH1 ARG 562 -7.408 -30.092 -12.135 631 HH12 ARG 562 2HH1 ARG 562 -6.916 -31.331 -13.241 632 HH21 ARG 562 1HH2 ARG 562 -7.920 -33.971 -11.177 633 HH22 ARG 562 2HH2 ARG 562 -7.209 -33.538 -12.695 634 H LYS 563 H LYS 563 -5.407 -30.815 -6.240 635 HA LYS 563 HA LYS 563 -5.966 -30.082 -3.444 636 HB2 LYS 563 1HB LYS 563 -6.196 -32.835 -4.673 637 HB3 LYS 563 2HB LYS 563 -6.340 -32.483 -2.956 638 HG2 LYS 563 1HG LYS 563 -8.405 -31.529 -3.181 639 HG3 LYS 563 2HG LYS 563 -8.123 -31.045 -4.854 640 HD2 LYS 563 1HD LYS 563 -8.020 -33.706 -5.148 641 HD3 LYS 563 2HD LYS 563 -9.098 -33.615 -3.753 642 HE2 LYS 563 1HE LYS 563 -9.977 -31.652 -5.560 643 HE3 LYS 563 2HE LYS 563 -9.650 -33.092 -6.522 644 HZ1 LYS 563 3HZ LYS 563 -11.276 -33.165 -4.048 645 HZ2 LYS 563 1HZ LYS 563 -11.153 -34.351 -5.248 646 HZ3 LYS 563 2HZ LYS 563 -11.953 -32.898 -5.575 Start of MODEL 2 1 H1 GLU 523 H GLU 523 4.920 -5.886 -8.742 2 HA GLU 523 HA GLU 523 4.361 -4.120 -6.492 3 HB2 GLU 523 1HB GLU 523 6.323 -5.043 -5.235 4 HB3 GLU 523 2HB GLU 523 4.943 -6.127 -5.330 5 HG2 GLU 523 1HG GLU 523 6.698 -6.599 -7.541 6 HG3 GLU 523 2HG GLU 523 7.603 -6.657 -6.030 7 H PHE 524 H PHE 524 5.347 -2.240 -6.795 8 HA PHE 524 HA PHE 524 7.919 -2.173 -8.198 9 HB2 PHE 524 1HB PHE 524 6.275 -1.688 -9.914 10 HB3 PHE 524 2HB PHE 524 5.517 -0.472 -8.893 11 HD1 PHE 524 1HD PHE 524 8.366 -1.248 -11.039 12 HD2 PHE 524 2HD PHE 524 6.534 1.696 -8.569 13 HE1 PHE 524 1HE PHE 524 9.842 0.472 -12.001 14 HE2 PHE 524 2HE PHE 524 8.007 3.420 -9.526 15 HZ PHE 524 HZ PHE 524 9.661 2.809 -11.245 16 H GLN 525 H GLN 525 9.329 -0.647 -7.469 17 HA GLN 525 HA GLN 525 8.650 1.683 -6.059 18 HB2 GLN 525 1HB GLN 525 9.557 0.912 -3.796 19 HB3 GLN 525 2HB GLN 525 7.927 0.405 -4.222 20 HG2 GLN 525 1HG GLN 525 8.470 -1.732 -4.042 21 HG3 GLN 525 2HG GLN 525 9.850 -1.532 -5.120 22 HE21 GLN 525 2HE2 GLN 525 11.503 0.088 -3.777 23 HE22 GLN 525 1HE2 GLN 525 12.006 -0.635 -2.291 24 H THR 526 H THR 526 10.579 2.700 -5.019 25 HA THR 526 HA THR 526 13.164 1.604 -5.708 26 HB THR 526 HB THR 526 13.745 3.824 -6.924 27 HG1 THR 526 1HG THR 526 10.917 3.771 -7.006 28 HG21 THR 526 3HG2 THR 526 13.418 1.384 -7.835 29 HG22 THR 526 1HG2 THR 526 13.564 2.741 -8.951 30 HG23 THR 526 2HG2 THR 526 11.974 2.075 -8.574 31 H LEU 527 H LEU 527 11.329 4.422 -4.598 32 HA LEU 527 HA LEU 527 13.513 5.008 -2.708 33 HB2 LEU 527 1HB LEU 527 12.486 7.308 -2.620 34 HB3 LEU 527 2HB LEU 527 13.290 6.869 -4.125 35 HG LEU 527 HG LEU 527 10.353 6.453 -3.957 36 HD11 LEU 527 1HD1 LEU 527 11.004 9.114 -4.889 37 HD12 LEU 527 2HD1 LEU 527 11.407 8.896 -3.185 38 HD13 LEU 527 3HD1 LEU 527 9.764 8.587 -3.750 39 HD21 LEU 527 3HD2 LEU 527 11.668 7.775 -6.239 40 HD22 LEU 527 1HD2 LEU 527 10.472 6.479 -6.208 41 HD23 LEU 527 2HD2 LEU 527 12.173 6.115 -5.915 42 H SER 528 H SER 528 12.862 5.845 -0.602 43 HA SER 528 HA SER 528 10.823 4.248 0.569 44 HB2 SER 528 1HB SER 528 12.630 6.423 1.592 45 HB3 SER 528 2HB SER 528 11.342 5.774 2.607 46 HG SER 528 HG SER 528 12.286 3.770 2.506 47 HA PRO 529 HA PRO 529 7.262 6.801 0.348 48 HB2 PRO 529 1HB PRO 529 6.100 6.355 2.761 49 HB3 PRO 529 2HB PRO 529 6.135 5.145 1.472 50 HG2 PRO 529 1HG PRO 529 7.895 5.399 3.880 51 HG3 PRO 529 2HG PRO 529 7.158 3.946 3.183 52 HD2 PRO 529 1HD PRO 529 9.748 4.610 2.760 53 HD3 PRO 529 2HD PRO 529 8.771 3.759 1.547 54 H GLU 530 H GLU 530 7.448 8.956 0.345 55 HA GLU 530 HA GLU 530 7.816 10.320 2.916 56 HB2 GLU 530 1HB GLU 530 9.228 11.137 0.372 57 HB3 GLU 530 2HB GLU 530 9.352 11.927 1.936 58 HG2 GLU 530 1HG GLU 530 10.033 9.265 2.408 59 HG3 GLU 530 2HG GLU 530 10.823 9.691 0.890 60 H GLY 531 H GLY 531 5.821 11.165 3.139 61 HA2 GLY 531 1HA GLY 531 4.406 12.275 0.865 62 HA3 GLY 531 2HA GLY 531 3.816 12.176 2.517 63 H SER 532 H SER 532 3.571 14.052 3.513 64 HA SER 532 HA SER 532 5.520 16.171 3.176 65 HB2 SER 532 1HB SER 532 3.948 17.853 2.451 66 HB3 SER 532 2HB SER 532 3.863 16.502 1.323 67 HG SER 532 HG SER 532 1.918 17.555 2.845 68 H GLY 533 H GLY 533 2.372 15.253 4.544 69 HA2 GLY 533 1HA GLY 533 3.279 16.327 7.125 70 HA3 GLY 533 2HA GLY 533 1.731 16.855 6.484 71 H ASN 534 H ASN 534 0.038 15.812 7.270 72 HA ASN 534 HA ASN 534 0.375 13.373 8.758 73 HB2 ASN 534 1HB ASN 534 -2.107 14.961 8.069 74 HB3 ASN 534 2HB ASN 534 -2.072 13.579 9.160 75 HD21 ASN 534 2HD2 ASN 534 -1.310 16.915 8.737 76 HD22 ASN 534 1HD2 ASN 534 -0.870 17.242 10.375 77 H LEU 535 H LEU 535 -0.411 14.202 5.536 78 HA LEU 535 HA LEU 535 -1.960 11.882 4.907 79 HB2 LEU 535 1HB LEU 535 -0.497 13.866 3.178 80 HB3 LEU 535 2HB LEU 535 -1.494 12.561 2.542 81 HG LEU 535 HG LEU 535 -2.831 14.490 2.441 82 HD11 LEU 535 1HD1 LEU 535 -3.967 12.519 3.364 83 HD12 LEU 535 2HD1 LEU 535 -4.654 14.026 3.970 84 HD13 LEU 535 3HD1 LEU 535 -3.580 13.071 4.994 85 HD21 LEU 535 3HD2 LEU 535 -2.761 16.242 3.852 86 HD22 LEU 535 1HD2 LEU 535 -1.231 15.525 4.359 87 HD23 LEU 535 2HD2 LEU 535 -2.698 15.219 5.288 88 H ALA 536 H ALA 536 1.376 12.512 5.291 89 HA ALA 536 HA ALA 536 2.445 10.583 3.519 90 HB1 ALA 536 1HB ALA 536 4.508 10.953 4.567 91 HB2 ALA 536 2HB ALA 536 3.661 12.494 4.693 92 HB3 ALA 536 3HB ALA 536 3.750 11.421 6.089 93 H VAL 537 H VAL 537 1.280 10.424 6.833 94 HA VAL 537 HA VAL 537 2.289 7.957 7.605 95 HB VAL 537 HB VAL 537 -0.455 8.994 8.315 96 HG11 VAL 537 1HG1 VAL 537 0.122 7.819 10.492 97 HG12 VAL 537 2HG1 VAL 537 -0.228 6.786 9.105 98 HG13 VAL 537 3HG1 VAL 537 1.441 7.053 9.607 99 HG21 VAL 537 3HG2 VAL 537 0.981 10.802 8.766 100 HG22 VAL 537 1HG2 VAL 537 0.793 9.970 10.309 101 HG23 VAL 537 2HG2 VAL 537 2.261 9.744 9.360 102 H ILE 538 H ILE 538 -0.152 8.707 5.295 103 HA ILE 538 HA ILE 538 -1.648 6.340 5.307 104 HB ILE 538 HB ILE 538 -0.991 8.025 2.890 105 HG12 ILE 538 1HG1 ILE 538 -3.322 8.305 4.795 106 HG13 ILE 538 2HG1 ILE 538 -1.891 9.328 4.834 107 HG21 ILE 538 1HG2 ILE 538 -3.365 7.214 2.283 108 HG22 ILE 538 2HG2 ILE 538 -2.012 6.102 2.084 109 HG23 ILE 538 3HG2 ILE 538 -3.071 5.958 3.486 110 HD11 ILE 538 3HD1 ILE 538 -2.532 9.702 2.301 111 HD12 ILE 538 1HD1 ILE 538 -4.133 9.271 2.899 112 HD13 ILE 538 2HD1 ILE 538 -3.269 10.640 3.599 113 H GLY 539 H GLY 539 1.013 7.226 3.090 114 HA2 GLY 539 1HA GLY 539 1.251 4.699 1.897 115 HA3 GLY 539 2HA GLY 539 2.509 5.926 1.935 116 H GLY 540 H GLY 540 2.933 6.081 4.700 117 HA2 GLY 540 1HA GLY 540 4.839 4.130 5.129 118 HA3 GLY 540 2HA GLY 540 4.070 5.052 6.412 119 H VAL 541 H VAL 541 1.509 4.171 6.391 120 HA VAL 541 HA VAL 541 1.785 1.567 7.576 121 HB VAL 541 HB VAL 541 -0.713 3.198 7.090 122 HG11 VAL 541 1HG1 VAL 541 -1.564 1.758 9.005 123 HG12 VAL 541 2HG1 VAL 541 -1.395 0.971 7.435 124 HG13 VAL 541 3HG1 VAL 541 -0.182 0.709 8.690 125 HG21 VAL 541 3HG2 VAL 541 0.001 4.520 8.729 126 HG22 VAL 541 1HG2 VAL 541 -0.032 3.132 9.818 127 HG23 VAL 541 2HG2 VAL 541 1.447 3.533 8.944 128 H ALA 542 H ALA 542 -0.160 2.857 4.878 129 HA ALA 542 HA ALA 542 -1.314 0.528 3.986 130 HB1 ALA 542 1HB ALA 542 -1.478 3.005 3.137 131 HB2 ALA 542 2HB ALA 542 -0.291 2.453 1.956 132 HB3 ALA 542 3HB ALA 542 -1.861 1.657 2.067 133 H VAL 543 H VAL 543 1.700 1.925 2.673 134 HA VAL 543 HA VAL 543 2.395 -0.243 1.066 135 HB VAL 543 HB VAL 543 4.209 1.756 2.419 136 HG11 VAL 543 1HG1 VAL 543 4.824 -0.596 0.898 137 HG12 VAL 543 2HG1 VAL 543 5.346 0.844 0.021 138 HG13 VAL 543 3HG1 VAL 543 5.918 0.555 1.665 139 HG21 VAL 543 3HG2 VAL 543 2.294 2.252 0.562 140 HG22 VAL 543 1HG2 VAL 543 3.771 3.198 0.752 141 HG23 VAL 543 2HG2 VAL 543 3.688 1.925 -0.466 142 H GLY 544 H GLY 544 3.437 0.522 4.385 143 HA2 GLY 544 1HA GLY 544 5.171 -1.584 4.819 144 HA3 GLY 544 2HA GLY 544 4.186 -0.845 6.073 145 H VAL 545 H VAL 545 1.650 -1.592 4.944 146 HA VAL 545 HA VAL 545 1.393 -4.176 6.090 147 HB VAL 545 HB VAL 545 -0.573 -2.620 4.404 148 HG11 VAL 545 1HG1 VAL 545 -2.219 -4.117 5.692 149 HG12 VAL 545 2HG1 VAL 545 -1.343 -4.822 4.331 150 HG13 VAL 545 3HG1 VAL 545 -0.825 -5.156 5.985 151 HG21 VAL 545 3HG2 VAL 545 -1.269 -2.779 7.163 152 HG22 VAL 545 1HG2 VAL 545 0.387 -2.187 7.028 153 HG23 VAL 545 2HG2 VAL 545 -0.919 -1.349 6.190 154 H VAL 546 H VAL 546 1.449 -2.981 2.763 155 HA VAL 546 HA VAL 546 0.738 -5.318 1.429 156 HB VAL 546 HB VAL 546 2.781 -3.327 0.442 157 HG11 VAL 546 1HG1 VAL 546 0.914 -5.248 -0.931 158 HG12 VAL 546 2HG1 VAL 546 1.743 -3.937 -1.770 159 HG13 VAL 546 3HG1 VAL 546 2.675 -5.217 -0.992 160 HG21 VAL 546 3HG2 VAL 546 0.252 -2.714 -0.609 161 HG22 VAL 546 1HG2 VAL 546 0.025 -2.919 1.128 162 HG23 VAL 546 2HG2 VAL 546 1.207 -1.759 0.524 163 H LEU 547 H LEU 547 3.999 -4.149 2.267 164 HA LEU 547 HA LEU 547 5.436 -6.305 1.239 165 HB2 LEU 547 1HB LEU 547 6.016 -4.448 3.533 166 HB3 LEU 547 2HB LEU 547 7.172 -5.642 2.949 167 HG LEU 547 HG LEU 547 6.035 -3.439 1.235 168 HD11 LEU 547 1HD1 LEU 547 7.627 -2.975 3.364 169 HD12 LEU 547 2HD1 LEU 547 7.649 -2.015 1.885 170 HD13 LEU 547 3HD1 LEU 547 8.835 -3.297 2.122 171 HD21 LEU 547 3HD2 LEU 547 8.234 -4.026 -0.005 172 HD22 LEU 547 1HD2 LEU 547 6.825 -5.068 -0.206 173 HD23 LEU 547 2HD2 LEU 547 8.128 -5.547 0.883 174 H LEU 548 H LEU 548 4.166 -5.795 4.519 175 HA LEU 548 HA LEU 548 5.133 -8.148 5.669 176 HB2 LEU 548 1HB LEU 548 3.986 -6.115 6.751 177 HB3 LEU 548 2HB LEU 548 2.479 -6.954 6.390 178 HG LEU 548 HG LEU 548 3.263 -7.252 8.724 179 HD11 LEU 548 1HD1 LEU 548 2.293 -9.265 8.785 180 HD12 LEU 548 2HD1 LEU 548 3.488 -9.981 7.703 181 HD13 LEU 548 3HD1 LEU 548 2.127 -9.076 7.039 182 HD21 LEU 548 3HD2 LEU 548 5.214 -8.417 9.266 183 HD22 LEU 548 1HD2 LEU 548 5.717 -7.311 7.987 184 HD23 LEU 548 2HD2 LEU 548 5.428 -9.012 7.620 185 H LEU 549 H LEU 549 2.226 -7.534 3.783 186 HA LEU 549 HA LEU 549 0.923 -9.978 4.241 187 HB2 LEU 549 1HB LEU 549 0.079 -7.828 3.101 188 HB3 LEU 549 2HB LEU 549 0.785 -8.504 1.635 189 HG LEU 549 HG LEU 549 -1.343 -9.869 3.280 190 HD11 LEU 549 1HD1 LEU 549 -1.860 -8.660 0.608 191 HD12 LEU 549 2HD1 LEU 549 -1.871 -7.623 2.033 192 HD13 LEU 549 3HD1 LEU 549 -2.976 -8.995 1.933 193 HD21 LEU 549 3HD2 LEU 549 -1.541 -10.991 0.894 194 HD22 LEU 549 1HD2 LEU 549 -0.402 -11.583 2.106 195 HD23 LEU 549 2HD2 LEU 549 0.162 -10.533 0.804 196 H VAL 550 H VAL 550 3.338 -9.018 1.849 197 HA VAL 550 HA VAL 550 3.271 -11.336 0.270 198 HB VAL 550 HB VAL 550 5.614 -9.508 0.818 199 HG11 VAL 550 1HG1 VAL 550 6.332 -11.641 -0.112 200 HG12 VAL 550 2HG1 VAL 550 5.157 -11.479 -1.420 201 HG13 VAL 550 3HG1 VAL 550 6.507 -10.350 -1.301 202 HG21 VAL 550 3HG2 VAL 550 3.781 -9.461 -1.564 203 HG22 VAL 550 1HG2 VAL 550 3.480 -8.496 -0.118 204 HG23 VAL 550 2HG2 VAL 550 4.952 -8.243 -1.057 205 H LEU 551 H LEU 551 5.622 -10.465 2.811 206 HA LEU 551 HA LEU 551 7.019 -12.840 2.909 207 HB2 LEU 551 1HB LEU 551 6.388 -10.769 4.973 208 HB3 LEU 551 2HB LEU 551 7.285 -12.220 5.417 209 HG LEU 551 HG LEU 551 8.808 -10.386 5.016 210 HD11 LEU 551 1HD1 LEU 551 9.430 -11.788 2.563 211 HD12 LEU 551 2HD1 LEU 551 8.960 -12.896 3.853 212 HD13 LEU 551 3HD1 LEU 551 10.290 -11.767 4.103 213 HD21 LEU 551 3HD2 LEU 551 8.993 -9.322 2.834 214 HD22 LEU 551 1HD2 LEU 551 7.383 -9.076 3.513 215 HD23 LEU 551 2HD2 LEU 551 7.629 -10.272 2.240 216 H ALA 552 H ALA 552 3.938 -12.027 4.396 217 HA ALA 552 HA ALA 552 3.679 -14.231 6.103 218 HB1 ALA 552 1HB ALA 552 1.753 -12.365 4.801 219 HB2 ALA 552 2HB ALA 552 1.141 -13.794 5.635 220 HB3 ALA 552 3HB ALA 552 2.106 -12.607 6.511 221 H GLY 553 H GLY 553 1.738 -13.873 3.142 222 HA2 GLY 553 1HA GLY 553 1.099 -16.557 2.863 223 HA3 GLY 553 2HA GLY 553 1.118 -15.398 1.542 224 H VAL 554 H VAL 554 3.552 -14.825 0.935 225 HA VAL 554 HA VAL 554 4.607 -16.982 -0.406 226 HB VAL 554 HB VAL 554 6.179 -14.620 0.629 227 HG11 VAL 554 1HG1 VAL 554 7.642 -15.054 -1.299 228 HG12 VAL 554 2HG1 VAL 554 7.617 -16.407 -0.167 229 HG13 VAL 554 3HG1 VAL 554 6.701 -16.498 -1.672 230 HG21 VAL 554 3HG2 VAL 554 5.693 -13.633 -1.594 231 HG22 VAL 554 1HG2 VAL 554 4.590 -14.973 -1.909 232 HG23 VAL 554 2HG2 VAL 554 4.255 -13.845 -0.596 233 H GLY 555 H GLY 555 5.435 -15.803 2.828 234 HA2 GLY 555 1HA GLY 555 7.659 -17.340 3.384 235 HA3 GLY 555 2HA GLY 555 6.471 -16.859 4.586 236 H PHE 556 H PHE 556 4.302 -18.237 4.193 237 HA PHE 556 HA PHE 556 5.067 -20.928 4.827 238 HB2 PHE 556 1HB PHE 556 3.230 -19.989 6.046 239 HB3 PHE 556 2HB PHE 556 2.379 -19.579 4.561 240 HD1 PHE 556 2HD PHE 556 3.299 -22.276 6.857 241 HD2 PHE 556 1HD PHE 556 1.167 -21.247 3.318 242 HE1 PHE 556 2HE PHE 556 2.123 -24.435 6.942 243 HE2 PHE 556 1HE PHE 556 -0.014 -23.404 3.400 244 HZ PHE 556 HZ PHE 556 0.464 -25.002 5.213 245 H PHE 557 H PHE 557 4.300 -19.274 1.970 246 HA PHE 557 HA PHE 557 3.008 -21.263 0.473 247 HB2 PHE 557 1HB PHE 557 3.396 -18.777 -0.099 248 HB3 PHE 557 2HB PHE 557 4.956 -19.304 -0.724 249 HD1 PHE 557 2HD PHE 557 1.309 -19.951 -1.036 250 HD2 PHE 557 1HD PHE 557 5.135 -20.082 -2.897 251 HE1 PHE 557 2HE PHE 557 0.244 -20.549 -3.170 252 HE2 PHE 557 1HE PHE 557 4.077 -20.680 -5.037 253 HZ PHE 557 HZ PHE 557 1.628 -20.915 -5.174 254 H ILE 558 H ILE 558 6.211 -21.062 1.616 255 HA ILE 558 HA ILE 558 7.381 -22.734 -0.425 256 HB ILE 558 HB ILE 558 8.698 -21.020 0.822 257 HG12 ILE 558 1HG1 ILE 558 9.753 -23.829 1.196 258 HG13 ILE 558 2HG1 ILE 558 9.716 -22.995 -0.352 259 HG21 ILE 558 1HG2 ILE 558 9.000 -21.048 3.052 260 HG22 ILE 558 2HG2 ILE 558 7.527 -22.017 3.047 261 HG23 ILE 558 3HG2 ILE 558 9.101 -22.808 3.120 262 HD11 ILE 558 3HD1 ILE 558 11.084 -21.177 0.810 263 HD12 ILE 558 1HD1 ILE 558 11.356 -22.376 2.072 264 HD13 ILE 558 2HD1 ILE 558 11.888 -22.697 0.420 265 H HIS 559 H HIS 559 5.707 -23.183 2.546 266 HA HIS 559 HA HIS 559 6.697 -25.891 2.922 267 HB2 HIS 559 1HB HIS 559 4.833 -24.109 4.470 268 HB3 HIS 559 2HB HIS 559 4.948 -25.829 4.827 269 HD1 HIS 559 1HD HIS 559 7.660 -26.570 5.164 270 HD2 HIS 559 2HD HIS 559 6.507 -22.670 6.012 271 HE1 HIS 559 1HE HIS 559 9.451 -25.652 6.673 272 H ARG 560 H ARG 560 4.195 -24.306 1.269 273 HA ARG 560 HA ARG 560 2.151 -26.249 1.421 274 HB2 ARG 560 1HB ARG 560 2.786 -24.140 -0.641 275 HB3 ARG 560 2HB ARG 560 1.366 -25.173 -0.737 276 HG2 ARG 560 1HG ARG 560 1.671 -23.868 1.853 277 HG3 ARG 560 2HG ARG 560 1.494 -22.740 0.506 278 HD2 ARG 560 1HD ARG 560 -0.697 -23.168 1.221 279 HD3 ARG 560 2HD ARG 560 -0.486 -24.171 -0.214 280 HE ARG 560 HE ARG 560 0.147 -25.587 2.178 281 HH11 ARG 560 1HH1 ARG 560 -2.490 -24.495 0.185 282 HH12 ARG 560 2HH1 ARG 560 -3.570 -25.746 0.703 283 HH21 ARG 560 1HH2 ARG 560 -1.266 -27.239 2.867 284 HH22 ARG 560 2HH2 ARG 560 -2.873 -27.306 2.229 285 H ARG 561 H ARG 561 5.082 -26.050 -0.414 286 HA ARG 561 HA ARG 561 4.435 -28.630 -1.660 287 HB2 ARG 561 1HB ARG 561 5.863 -26.372 -3.073 288 HB3 ARG 561 2HB ARG 561 5.460 -27.945 -3.749 289 HG2 ARG 561 1HG ARG 561 3.050 -26.846 -2.813 290 HG3 ARG 561 2HG ARG 561 3.897 -25.556 -3.668 291 HD2 ARG 561 1HD ARG 561 4.280 -27.668 -5.344 292 HD3 ARG 561 2HD ARG 561 2.681 -28.023 -4.691 293 HE ARG 561 HE ARG 561 1.839 -26.226 -5.844 294 HH11 ARG 561 1HH1 ARG 561 5.317 -26.085 -5.847 295 HH12 ARG 561 2HH1 ARG 561 5.395 -24.794 -7.002 296 HH21 ARG 561 1HH2 ARG 561 1.927 -24.527 -7.364 297 HH22 ARG 561 2HH2 ARG 561 3.465 -23.909 -7.863 298 H ARG 562 H ARG 562 5.793 -28.663 0.608 299 HA ARG 562 HA ARG 562 8.521 -28.225 0.633 300 HB2 ARG 562 1HB ARG 562 8.638 -29.969 2.367 301 HB3 ARG 562 2HB ARG 562 7.285 -28.875 2.626 302 HG2 ARG 562 1HG ARG 562 6.441 -31.103 1.036 303 HG3 ARG 562 2HG ARG 562 7.236 -31.670 2.505 304 HD2 ARG 562 1HD ARG 562 5.393 -29.440 2.933 305 HD3 ARG 562 2HD ARG 562 4.618 -30.897 2.310 306 HE ARG 562 HE ARG 562 5.635 -30.496 4.937 307 HH11 ARG 562 1HH1 ARG 562 5.186 -32.904 2.462 308 HH12 ARG 562 2HH1 ARG 562 5.125 -34.227 3.579 309 HH21 ARG 562 1HH2 ARG 562 5.556 -32.230 6.416 310 HH22 ARG 562 2HH2 ARG 562 5.334 -33.842 5.828 311 H LYS 563 H LYS 563 10.296 -29.268 -0.114 312 HA LYS 563 HA LYS 563 10.007 -31.885 -1.373 313 HB2 LYS 563 1HB LYS 563 11.083 -31.176 -3.435 314 HB3 LYS 563 2HB LYS 563 9.614 -30.244 -3.171 315 HG2 LYS 563 1HG LYS 563 11.147 -28.472 -2.142 316 HG3 LYS 563 2HG LYS 563 12.467 -29.366 -2.901 317 HD2 LYS 563 1HD LYS 563 11.526 -29.034 -5.077 318 HD3 LYS 563 2HD LYS 563 10.050 -28.347 -4.392 319 HE2 LYS 563 1HE LYS 563 11.587 -26.568 -3.370 320 HE3 LYS 563 2HE LYS 563 12.806 -27.157 -4.498 321 HZ1 LYS 563 3HZ LYS 563 11.833 -25.490 -5.702 322 HZ2 LYS 563 1HZ LYS 563 10.291 -25.746 -5.052 323 HZ3 LYS 563 2HZ LYS 563 10.905 -26.809 -6.216 324 H1 GLU 523 H GLU 523 2.114 33.581 20.150 325 HA GLU 523 HA GLU 523 0.186 34.823 19.210 326 HB2 GLU 523 1HB GLU 523 2.687 34.368 17.929 327 HB3 GLU 523 2HB GLU 523 1.448 34.438 16.684 328 HG2 GLU 523 1HG GLU 523 1.087 36.542 18.619 329 HG3 GLU 523 2HG GLU 523 2.710 36.579 17.928 330 H PHE 524 H PHE 524 -0.946 34.921 16.929 331 HA PHE 524 HA PHE 524 -1.970 32.242 16.270 332 HB2 PHE 524 1HB PHE 524 -3.608 33.344 17.706 333 HB3 PHE 524 2HB PHE 524 -3.610 34.755 16.653 334 HD1 PHE 524 2HD PHE 524 -4.346 31.115 16.681 335 HD2 PHE 524 1HD PHE 524 -5.115 34.900 14.894 336 HE1 PHE 524 2HE PHE 524 -6.163 30.117 15.357 337 HE2 PHE 524 1HE PHE 524 -6.933 33.909 13.567 338 HZ PHE 524 HZ PHE 524 -7.459 31.513 13.796 339 H GLN 525 H GLN 525 -2.107 31.798 14.152 340 HA GLN 525 HA GLN 525 -2.011 34.020 12.235 341 HB2 GLN 525 1HB GLN 525 -0.350 31.511 11.975 342 HB3 GLN 525 2HB GLN 525 -0.337 32.905 10.902 343 HG2 GLN 525 1HG GLN 525 1.390 33.638 12.081 344 HG3 GLN 525 2HG GLN 525 0.239 33.990 13.368 345 HE21 GLN 525 2HE2 GLN 525 0.594 33.082 15.262 346 HE22 GLN 525 1HE2 GLN 525 1.604 31.711 15.557 347 H THR 526 H THR 526 -2.026 32.685 9.894 348 HA THR 526 HA THR 526 -4.287 30.812 10.043 349 HB THR 526 HB THR 526 -5.353 31.888 8.115 350 HG1 THR 526 1HG THR 526 -3.165 33.678 8.374 351 HG21 THR 526 3HG2 THR 526 -4.847 33.969 10.236 352 HG22 THR 526 1HG2 THR 526 -5.878 32.563 10.496 353 HG23 THR 526 2HG2 THR 526 -6.298 33.747 9.257 354 H LEU 527 H LEU 527 -1.686 32.177 8.066 355 HA LEU 527 HA LEU 527 -0.402 31.301 6.405 356 HB2 LEU 527 1HB LEU 527 -1.172 28.675 7.668 357 HB3 LEU 527 2HB LEU 527 0.183 28.945 6.574 358 HG LEU 527 HG LEU 527 0.480 30.718 8.770 359 HD11 LEU 527 1HD1 LEU 527 -0.789 29.501 10.259 360 HD12 LEU 527 2HD1 LEU 527 0.806 28.784 10.479 361 HD13 LEU 527 3HD1 LEU 527 -0.404 27.960 9.495 362 HD21 LEU 527 3HD2 LEU 527 2.465 29.100 9.157 363 HD22 LEU 527 1HD2 LEU 527 2.399 30.042 7.667 364 HD23 LEU 527 2HD2 LEU 527 1.923 28.344 7.657 365 H SER 528 H SER 528 -0.469 29.247 4.731 366 HA SER 528 HA SER 528 -3.205 29.135 3.656 367 HB2 SER 528 1HB SER 528 -0.672 29.688 2.092 368 HB3 SER 528 2HB SER 528 -2.250 29.379 1.369 369 HG SER 528 HG SER 528 -1.456 31.677 1.858 370 HA PRO 529 HA PRO 529 -2.581 24.817 3.189 371 HB2 PRO 529 1HB PRO 529 -4.096 24.302 0.996 372 HB3 PRO 529 2HB PRO 529 -4.791 24.686 2.575 373 HG2 PRO 529 1HG PRO 529 -4.374 26.468 0.206 374 HG3 PRO 529 2HG PRO 529 -5.777 26.350 1.283 375 HD2 PRO 529 1HD PRO 529 -3.922 28.309 1.516 376 HD3 PRO 529 2HD PRO 529 -4.792 27.646 2.915 377 H GLU 530 H GLU 530 -2.116 23.130 1.376 378 HA GLU 530 HA GLU 530 -0.578 24.105 -0.858 379 HB2 GLU 530 1HB GLU 530 1.458 22.733 -0.079 380 HB3 GLU 530 2HB GLU 530 1.207 24.320 0.635 381 HG2 GLU 530 1HG GLU 530 0.263 23.323 2.619 382 HG3 GLU 530 2HG GLU 530 0.381 21.717 1.900 383 H GLY 531 H GLY 531 -1.479 22.861 -2.376 384 HA2 GLY 531 1HA GLY 531 -1.654 20.882 -3.606 385 HA3 GLY 531 2HA GLY 531 -1.139 19.981 -2.187 386 H SER 532 H SER 532 -3.437 19.685 -4.119 387 HA SER 532 HA SER 532 -5.740 20.053 -2.373 388 HB2 SER 532 1HB SER 532 -5.419 19.217 -5.250 389 HB3 SER 532 2HB SER 532 -6.961 19.051 -4.408 390 HG SER 532 HG SER 532 -6.921 21.038 -5.428 391 H GLY 533 H GLY 533 -3.644 17.536 -3.553 392 HA2 GLY 533 1HA GLY 533 -4.313 15.704 -1.563 393 HA3 GLY 533 2HA GLY 533 -5.294 15.314 -2.967 394 H ASN 534 H ASN 534 -2.007 16.594 -3.007 395 HA ASN 534 HA ASN 534 -1.105 14.708 -4.888 396 HB2 ASN 534 1HB ASN 534 0.358 16.591 -3.038 397 HB3 ASN 534 2HB ASN 534 1.199 15.555 -4.188 398 HD21 ASN 534 2HD2 ASN 534 -1.008 18.229 -3.821 399 HD22 ASN 534 1HD2 ASN 534 -0.838 18.846 -5.426 400 H LEU 535 H LEU 535 -1.157 14.706 -1.402 401 HA LEU 535 HA LEU 535 0.549 12.353 -1.242 402 HB2 LEU 535 1HB LEU 535 -0.866 13.954 0.884 403 HB3 LEU 535 2HB LEU 535 0.179 12.570 1.202 404 HG LEU 535 HG LEU 535 1.506 14.443 1.649 405 HD11 LEU 535 1HD1 LEU 535 2.550 12.734 0.165 406 HD12 LEU 535 2HD1 LEU 535 3.266 14.340 0.036 407 HD13 LEU 535 3HD1 LEU 535 2.160 13.764 -1.213 408 HD21 LEU 535 3HD2 LEU 535 -0.122 16.005 0.450 409 HD22 LEU 535 1HD2 LEU 535 0.835 15.690 -0.998 410 HD23 LEU 535 2HD2 LEU 535 1.590 16.432 0.414 411 H ALA 536 H ALA 536 -2.780 13.148 -1.407 412 HA ALA 536 HA ALA 536 -3.894 10.948 -0.039 413 HB1 ALA 536 1HB ALA 536 -5.070 13.061 -0.812 414 HB2 ALA 536 2HB ALA 536 -5.162 12.303 -2.401 415 HB3 ALA 536 3HB ALA 536 -5.948 11.545 -1.017 416 H VAL 537 H VAL 537 -2.762 11.369 -3.344 417 HA VAL 537 HA VAL 537 -3.832 9.107 -4.539 418 HB VAL 537 HB VAL 537 -1.065 10.191 -5.074 419 HG11 VAL 537 1HG1 VAL 537 -1.670 9.438 -7.420 420 HG12 VAL 537 2HG1 VAL 537 -1.359 8.161 -6.243 421 HG13 VAL 537 3HG1 VAL 537 -3.018 8.569 -6.688 422 HG21 VAL 537 3HG2 VAL 537 -3.680 11.406 -5.447 423 HG22 VAL 537 1HG2 VAL 537 -2.072 12.119 -5.571 424 HG23 VAL 537 2HG2 VAL 537 -2.771 11.278 -6.953 425 H ILE 538 H ILE 538 -1.328 9.372 -2.178 426 HA ILE 538 HA ILE 538 0.091 7.006 -2.630 427 HB ILE 538 HB ILE 538 -0.494 8.259 0.054 428 HG12 ILE 538 1HG1 ILE 538 1.846 8.779 -1.790 429 HG13 ILE 538 2HG1 ILE 538 0.447 9.840 -1.653 430 HG21 ILE 538 1HG2 ILE 538 1.856 7.269 0.479 431 HG22 ILE 538 2HG2 ILE 538 0.459 6.194 0.510 432 HG23 ILE 538 3HG2 ILE 538 1.501 6.247 -0.913 433 HD11 ILE 538 3HD1 ILE 538 2.684 9.386 0.234 434 HD12 ILE 538 1HD1 ILE 538 1.866 10.880 -0.222 435 HD13 ILE 538 2HD1 ILE 538 1.096 9.761 0.904 436 H GLY 539 H GLY 539 -2.540 7.554 -0.274 437 HA2 GLY 539 1HA GLY 539 -2.834 4.861 0.462 438 HA3 GLY 539 2HA GLY 539 -4.057 6.108 0.656 439 H GLY 540 H GLY 540 -4.483 6.759 -2.041 440 HA2 GLY 540 1HA GLY 540 -6.450 4.970 -2.785 441 HA3 GLY 540 2HA GLY 540 -5.658 6.080 -3.893 442 H VAL 541 H VAL 541 -3.139 5.148 -4.088 443 HA VAL 541 HA VAL 541 -3.497 2.792 -5.688 444 HB VAL 541 HB VAL 541 -0.964 4.276 -4.971 445 HG11 VAL 541 1HG1 VAL 541 -0.039 3.126 -6.970 446 HG12 VAL 541 2HG1 VAL 541 -0.433 2.031 -5.644 447 HG13 VAL 541 3HG1 VAL 541 -1.505 2.150 -7.040 448 HG21 VAL 541 3HG2 VAL 541 -3.093 4.754 -6.924 449 HG22 VAL 541 1HG2 VAL 541 -1.876 5.854 -6.279 450 HG23 VAL 541 2HG2 VAL 541 -1.467 4.768 -7.607 451 H ALA 542 H ALA 542 -1.494 3.548 -2.835 452 HA ALA 542 HA ALA 542 -0.391 1.072 -2.376 453 HB1 ALA 542 1HB ALA 542 -0.116 3.337 -1.119 454 HB2 ALA 542 2HB ALA 542 -1.358 2.680 -0.052 455 HB3 ALA 542 3HB ALA 542 0.167 1.818 -0.268 456 H VAL 543 H VAL 543 -3.358 2.291 -0.801 457 HA VAL 543 HA VAL 543 -4.099 -0.092 0.429 458 HB VAL 543 HB VAL 543 -5.886 2.118 -0.595 459 HG11 VAL 543 1HG1 VAL 543 -7.010 0.856 1.654 460 HG12 VAL 543 2HG1 VAL 543 -7.613 0.853 -0.004 461 HG13 VAL 543 3HG1 VAL 543 -6.532 -0.428 0.544 462 HG21 VAL 543 3HG2 VAL 543 -5.639 3.170 1.457 463 HG22 VAL 543 1HG2 VAL 543 -5.071 1.702 2.255 464 HG23 VAL 543 2HG2 VAL 543 -4.011 2.567 1.142 465 H GLY 544 H GLY 544 -5.145 1.209 -2.720 466 HA2 GLY 544 1HA GLY 544 -6.902 -0.785 -3.475 467 HA3 GLY 544 2HA GLY 544 -5.916 0.138 -4.600 468 H VAL 545 H VAL 545 -3.383 -0.810 -3.602 469 HA VAL 545 HA VAL 545 -3.151 -3.169 -5.165 470 HB VAL 545 HB VAL 545 -1.172 -1.944 -3.239 471 HG11 VAL 545 1HG1 VAL 545 -0.924 -4.149 -5.261 472 HG12 VAL 545 2HG1 VAL 545 0.473 -3.212 -4.727 473 HG13 VAL 545 3HG1 VAL 545 -0.459 -4.153 -3.559 474 HG21 VAL 545 3HG2 VAL 545 -0.563 -1.670 -6.044 475 HG22 VAL 545 1HG2 VAL 545 -2.139 -0.973 -5.670 476 HG23 VAL 545 2HG2 VAL 545 -0.705 -0.427 -4.800 477 H VAL 546 H VAL 546 -3.216 -2.545 -1.687 478 HA VAL 546 HA VAL 546 -2.530 -5.081 -0.763 479 HB VAL 546 HB VAL 546 -4.549 -3.259 0.545 480 HG11 VAL 546 1HG1 VAL 546 -3.513 -4.242 2.622 481 HG12 VAL 546 2HG1 VAL 546 -4.472 -5.357 1.648 482 HG13 VAL 546 3HG1 VAL 546 -2.711 -5.410 1.572 483 HG21 VAL 546 3HG2 VAL 546 -2.957 -1.719 0.733 484 HG22 VAL 546 1HG2 VAL 546 -2.010 -2.868 1.678 485 HG23 VAL 546 2HG2 VAL 546 -1.790 -2.769 -0.068 486 H LEU 547 H LEU 547 -5.762 -3.750 -1.441 487 HA LEU 547 HA LEU 547 -7.238 -6.024 -0.771 488 HB2 LEU 547 1HB LEU 547 -7.782 -3.823 -2.749 489 HB3 LEU 547 2HB LEU 547 -8.959 -5.071 -2.341 490 HG LEU 547 HG LEU 547 -7.777 -3.343 -0.198 491 HD11 LEU 547 1HD1 LEU 547 -8.838 -1.511 -0.860 492 HD12 LEU 547 2HD1 LEU 547 -10.346 -2.401 -1.065 493 HD13 LEU 547 3HD1 LEU 547 -9.186 -2.317 -2.389 494 HD21 LEU 547 3HD2 LEU 547 -9.880 -3.838 0.914 495 HD22 LEU 547 1HD2 LEU 547 -9.078 -5.329 0.423 496 HD23 LEU 547 2HD2 LEU 547 -10.446 -4.716 -0.507 497 H LEU 548 H LEU 548 -5.938 -5.005 -3.918 498 HA LEU 548 HA LEU 548 -6.927 -7.111 -5.451 499 HB2 LEU 548 1HB LEU 548 -5.707 -4.962 -6.163 500 HB3 LEU 548 2HB LEU 548 -4.229 -5.889 -5.922 501 HG LEU 548 HG LEU 548 -4.974 -5.775 -8.285 502 HD11 LEU 548 1HD1 LEU 548 -3.913 -7.883 -6.906 503 HD12 LEU 548 2HD1 LEU 548 -4.042 -7.771 -8.661 504 HD13 LEU 548 3HD1 LEU 548 -5.278 -8.629 -7.741 505 HD21 LEU 548 3HD2 LEU 548 -6.976 -6.565 -9.029 506 HD22 LEU 548 1HD2 LEU 548 -7.468 -6.023 -7.424 507 HD23 LEU 548 2HD2 LEU 548 -7.134 -7.731 -7.714 508 H LEU 549 H LEU 549 -4.045 -6.900 -3.441 509 HA LEU 549 HA LEU 549 -2.810 -9.285 -4.281 510 HB2 LEU 549 1HB LEU 549 -1.901 -7.365 -2.824 511 HB3 LEU 549 2HB LEU 549 -2.640 -8.231 -1.479 512 HG LEU 549 HG LEU 549 -0.555 -9.414 -3.310 513 HD11 LEU 549 1HD1 LEU 549 0.007 -8.624 -0.495 514 HD12 LEU 549 2HD1 LEU 549 0.048 -7.389 -1.751 515 HD13 LEU 549 3HD1 LEU 549 1.106 -8.795 -1.863 516 HD21 LEU 549 3HD2 LEU 549 -0.401 -10.870 -1.108 517 HD22 LEU 549 1HD2 LEU 549 -1.559 -11.242 -2.386 518 HD23 LEU 549 2HD2 LEU 549 -2.086 -10.370 -0.947 519 H VAL 550 H VAL 550 -5.224 -8.622 -1.794 520 HA VAL 550 HA VAL 550 -5.243 -11.139 -0.562 521 HB VAL 550 HB VAL 550 -7.531 -9.195 -0.894 522 HG11 VAL 550 1HG1 VAL 550 -8.510 -10.312 1.050 523 HG12 VAL 550 2HG1 VAL 550 -8.318 -11.427 -0.304 524 HG13 VAL 550 3HG1 VAL 550 -7.186 -11.478 1.048 525 HG21 VAL 550 3HG2 VAL 550 -6.571 -7.928 0.663 526 HG22 VAL 550 1HG2 VAL 550 -6.355 -9.316 1.727 527 HG23 VAL 550 2HG2 VAL 550 -5.130 -8.931 0.519 528 H LEU 551 H LEU 551 -7.470 -9.866 -3.044 529 HA LEU 551 HA LEU 551 -8.950 -12.146 -3.493 530 HB2 LEU 551 1HB LEU 551 -8.140 -9.874 -5.260 531 HB3 LEU 551 2HB LEU 551 -9.073 -11.218 -5.916 532 HG LEU 551 HG LEU 551 -10.538 -9.381 -5.360 533 HD11 LEU 551 1HD1 LEU 551 -12.167 -10.652 -4.427 534 HD12 LEU 551 2HD1 LEU 551 -11.123 -11.244 -3.135 535 HD13 LEU 551 3HD1 LEU 551 -10.998 -11.931 -4.754 536 HD21 LEU 551 3HD2 LEU 551 -10.784 -8.576 -3.076 537 HD22 LEU 551 1HD2 LEU 551 -9.137 -8.322 -3.653 538 HD23 LEU 551 2HD2 LEU 551 -9.486 -9.647 -2.545 539 H ALA 552 H ALA 552 -5.811 -11.261 -4.840 540 HA ALA 552 HA ALA 552 -5.595 -13.351 -6.707 541 HB1 ALA 552 1HB ALA 552 -4.104 -11.537 -6.928 542 HB2 ALA 552 2HB ALA 552 -3.526 -11.711 -5.270 543 HB3 ALA 552 3HB ALA 552 -3.109 -12.924 -6.481 544 H GLY 553 H GLY 553 -3.674 -13.130 -3.712 545 HA2 GLY 553 1HA GLY 553 -2.914 -15.782 -3.592 546 HA3 GLY 553 2HA GLY 553 -3.059 -14.735 -2.189 547 H VAL 554 H VAL 554 -5.593 -14.328 -1.735 548 HA VAL 554 HA VAL 554 -6.554 -16.769 -0.719 549 HB VAL 554 HB VAL 554 -8.219 -14.297 -1.192 550 HG11 VAL 554 1HG1 VAL 554 -9.366 -15.100 0.874 551 HG12 VAL 554 2HG1 VAL 554 -9.541 -16.172 -0.517 552 HG13 VAL 554 3HG1 VAL 554 -8.405 -16.574 0.772 553 HG21 VAL 554 3HG2 VAL 554 -6.788 -13.205 0.127 554 HG22 VAL 554 1HG2 VAL 554 -7.350 -14.245 1.437 555 HG23 VAL 554 2HG2 VAL 554 -5.909 -14.683 0.519 556 H GLY 555 H GLY 555 -6.739 -15.445 -3.838 557 HA2 GLY 555 1HA GLY 555 -9.255 -16.544 -4.635 558 HA3 GLY 555 2HA GLY 555 -7.995 -15.949 -5.704 559 H PHE 556 H PHE 556 -5.887 -17.577 -5.142 560 HA PHE 556 HA PHE 556 -6.847 -20.123 -6.207 561 HB2 PHE 556 1HB PHE 556 -5.121 -19.265 -7.552 562 HB3 PHE 556 2HB PHE 556 -4.167 -18.758 -6.163 563 HD1 PHE 556 2HD PHE 556 -5.302 -21.693 -8.094 564 HD2 PHE 556 1HD PHE 556 -2.595 -20.201 -5.167 565 HE1 PHE 556 2HE PHE 556 -4.020 -23.790 -8.215 566 HE2 PHE 556 1HE PHE 556 -1.308 -22.295 -5.285 567 HZ PHE 556 HZ PHE 556 -2.021 -24.093 -6.810 568 H PHE 557 H PHE 557 -5.370 -18.750 -3.386 569 HA PHE 557 HA PHE 557 -4.388 -21.187 -2.280 570 HB2 PHE 557 1HB PHE 557 -3.520 -18.977 -1.605 571 HB3 PHE 557 2HB PHE 557 -5.081 -18.589 -0.893 572 HD1 PHE 557 1HD PHE 557 -3.400 -21.868 -0.703 573 HD2 PHE 557 2HD PHE 557 -4.405 -18.274 1.344 574 HE1 PHE 557 1HE PHE 557 -2.677 -22.880 1.421 575 HE2 PHE 557 2HE PHE 557 -3.683 -19.280 3.470 576 HZ PHE 557 HZ PHE 557 -2.818 -21.585 3.510 577 H ILE 558 H ILE 558 -7.486 -20.034 -2.747 578 HA ILE 558 HA ILE 558 -8.592 -21.386 -0.399 579 HB ILE 558 HB ILE 558 -9.421 -19.110 -1.025 580 HG12 ILE 558 1HG1 ILE 558 -11.712 -21.016 -1.307 581 HG13 ILE 558 2HG1 ILE 558 -10.741 -21.056 0.160 582 HG21 ILE 558 1HG2 ILE 558 -9.415 -19.997 -3.566 583 HG22 ILE 558 2HG2 ILE 558 -11.117 -20.220 -3.164 584 HG23 ILE 558 3HG2 ILE 558 -10.376 -18.627 -3.011 585 HD11 ILE 558 3HD1 ILE 558 -12.099 -18.595 -0.906 586 HD12 ILE 558 1HD1 ILE 558 -12.773 -19.658 0.329 587 HD13 ILE 558 2HD1 ILE 558 -11.279 -18.776 0.644 588 H HIS 559 H HIS 559 -8.115 -21.813 -3.775 589 HA HIS 559 HA HIS 559 -10.157 -23.868 -4.013 590 HB2 HIS 559 1HB HIS 559 -8.182 -22.667 -5.948 591 HB3 HIS 559 2HB HIS 559 -9.156 -24.074 -6.363 592 HD1 HIS 559 1HD HIS 559 -11.892 -23.390 -5.471 593 HD2 HIS 559 2HD HIS 559 -9.354 -20.543 -7.117 594 HE1 HIS 559 1HE HIS 559 -13.396 -21.568 -6.333 595 H ARG 560 H ARG 560 -6.822 -23.608 -3.267 596 HA ARG 560 HA ARG 560 -5.924 -26.136 -4.138 597 HB2 ARG 560 1HB ARG 560 -4.958 -24.266 -1.979 598 HB3 ARG 560 2HB ARG 560 -4.145 -25.782 -2.348 599 HG2 ARG 560 1HG ARG 560 -4.536 -24.381 -4.784 600 HG3 ARG 560 2HG ARG 560 -3.850 -23.262 -3.603 601 HD2 ARG 560 1HD ARG 560 -1.891 -24.158 -4.249 602 HD3 ARG 560 2HD ARG 560 -2.341 -25.466 -3.156 603 HE ARG 560 HE ARG 560 -3.413 -25.945 -5.720 604 HH11 ARG 560 1HH1 ARG 560 -0.391 -25.941 -3.993 605 HH12 ARG 560 2HH1 ARG 560 0.342 -27.138 -5.010 606 HH21 ARG 560 1HH2 ARG 560 -2.459 -27.521 -7.065 607 HH22 ARG 560 2HH2 ARG 560 -0.835 -28.035 -6.758 608 H ARG 561 H ARG 561 -7.809 -25.129 -1.420 609 HA ARG 561 HA ARG 561 -7.597 -27.826 -0.256 610 HB2 ARG 561 1HB ARG 561 -8.265 -26.877 1.861 611 HB3 ARG 561 2HB ARG 561 -6.905 -25.959 1.229 612 HG2 ARG 561 1HG ARG 561 -9.420 -24.824 0.382 613 HG3 ARG 561 2HG ARG 561 -9.324 -24.954 2.139 614 HD2 ARG 561 1HD ARG 561 -6.961 -23.933 1.833 615 HD3 ARG 561 2HD ARG 561 -7.565 -23.435 0.253 616 HE ARG 561 HE ARG 561 -9.483 -22.543 1.911 617 HH11 ARG 561 1HH1 ARG 561 -6.017 -22.232 1.948 618 HH12 ARG 561 2HH1 ARG 561 -6.031 -20.691 2.741 619 HH21 ARG 561 1HH2 ARG 561 -9.518 -20.515 2.956 620 HH22 ARG 561 2HH2 ARG 561 -8.023 -19.717 3.314 621 H ARG 562 H ARG 562 -9.307 -26.896 -2.508 622 HA ARG 562 HA ARG 562 -11.441 -27.124 -3.270 623 HB2 ARG 562 1HB ARG 562 -11.577 -28.985 -0.892 624 HB3 ARG 562 2HB ARG 562 -12.817 -28.879 -2.135 625 HG2 ARG 562 1HG ARG 562 -9.949 -29.693 -2.561 626 HG3 ARG 562 2HG ARG 562 -11.347 -30.770 -2.522 627 HD2 ARG 562 1HD ARG 562 -12.286 -29.472 -4.449 628 HD3 ARG 562 2HD ARG 562 -10.750 -28.614 -4.539 629 HE ARG 562 HE ARG 562 -10.072 -31.259 -4.635 630 HH11 ARG 562 1HH1 ARG 562 -12.154 -29.172 -6.485 631 HH12 ARG 562 2HH1 ARG 562 -11.944 -30.052 -7.962 632 HH21 ARG 562 1HH2 ARG 562 -9.784 -32.426 -6.573 633 HH22 ARG 562 2HH2 ARG 562 -10.595 -31.904 -8.011 634 H LYS 563 H LYS 563 -13.892 -27.258 -2.281 635 HA LYS 563 HA LYS 563 -14.138 -25.241 -0.170 636 HB2 LYS 563 1HB LYS 563 -15.690 -23.912 -1.439 637 HB3 LYS 563 2HB LYS 563 -14.218 -24.094 -2.382 638 HG2 LYS 563 1HG LYS 563 -15.539 -26.133 -3.409 639 HG3 LYS 563 2HG LYS 563 -16.931 -25.193 -2.866 640 HD2 LYS 563 1HD LYS 563 -16.302 -23.331 -4.199 641 HD3 LYS 563 2HD LYS 563 -14.717 -24.027 -4.541 642 HE2 LYS 563 1HE LYS 563 -16.855 -25.812 -5.324 643 HE3 LYS 563 2HE LYS 563 -17.013 -24.236 -6.100 644 HZ1 LYS 563 3HZ LYS 563 -14.575 -25.933 -6.138 645 HZ2 LYS 563 1HZ LYS 563 -14.750 -24.435 -6.903 646 HZ3 LYS 563 2HZ LYS 563 -15.669 -25.758 -7.417 Start of MODEL 3 1 H1 GLU 523 H GLU 523 2.524 -6.544 -7.432 2 HA GLU 523 HA GLU 523 2.414 -4.666 -9.701 3 HB2 GLU 523 1HB GLU 523 1.158 -4.610 -7.006 4 HB3 GLU 523 2HB GLU 523 1.707 -3.079 -7.674 5 HG2 GLU 523 1HG GLU 523 -0.347 -3.023 -8.561 6 HG3 GLU 523 2HG GLU 523 0.371 -4.064 -9.791 7 H PHE 524 H PHE 524 4.408 -3.972 -10.115 8 HA PHE 524 HA PHE 524 6.143 -3.277 -7.838 9 HB2 PHE 524 1HB PHE 524 8.062 -3.734 -9.257 10 HB3 PHE 524 2HB PHE 524 7.002 -5.139 -9.232 11 HD1 PHE 524 1HD PHE 524 8.241 -2.342 -11.251 12 HD2 PHE 524 2HD PHE 524 5.849 -5.862 -11.203 13 HE1 PHE 524 1HE PHE 524 8.163 -2.319 -13.711 14 HE2 PHE 524 2HE PHE 524 5.768 -5.846 -13.661 15 HZ PHE 524 HZ PHE 524 6.927 -4.072 -14.919 16 H GLN 525 H GLN 525 7.245 -1.330 -7.866 17 HA GLN 525 HA GLN 525 7.200 0.444 -10.097 18 HB2 GLN 525 1HB GLN 525 5.860 2.225 -8.832 19 HB3 GLN 525 2HB GLN 525 4.957 0.920 -9.592 20 HG2 GLN 525 1HG GLN 525 5.746 0.431 -6.807 21 HG3 GLN 525 2HG GLN 525 4.604 1.752 -7.048 22 HE21 GLN 525 2HE2 GLN 525 2.943 1.020 -8.909 23 HE22 GLN 525 1HE2 GLN 525 2.142 -0.466 -8.542 24 H THR 526 H THR 526 7.761 2.804 -9.164 25 HA THR 526 HA THR 526 9.425 2.717 -6.803 26 HB THR 526 HB THR 526 11.403 3.654 -8.207 27 HG1 THR 526 1HG THR 526 10.171 2.014 -10.181 28 HG21 THR 526 3HG2 THR 526 12.419 1.546 -8.210 29 HG22 THR 526 1HG2 THR 526 10.905 0.714 -8.556 30 HG23 THR 526 2HG2 THR 526 11.181 1.411 -6.961 31 H LEU 527 H LEU 527 7.117 4.218 -7.971 32 HA LEU 527 HA LEU 527 8.245 6.918 -7.657 33 HB2 LEU 527 1HB LEU 527 6.102 5.992 -9.555 34 HB3 LEU 527 2HB LEU 527 6.384 7.688 -9.171 35 HG LEU 527 HG LEU 527 8.871 6.672 -9.967 36 HD11 LEU 527 1HD1 LEU 527 6.787 5.907 -11.995 37 HD12 LEU 527 2HD1 LEU 527 7.513 4.750 -10.880 38 HD13 LEU 527 3HD1 LEU 527 8.525 5.606 -12.044 39 HD21 LEU 527 3HD2 LEU 527 8.075 8.048 -12.114 40 HD22 LEU 527 1HD2 LEU 527 8.536 8.823 -10.597 41 HD23 LEU 527 2HD2 LEU 527 6.833 8.567 -10.974 42 H SER 528 H SER 528 7.472 5.730 -5.427 43 HA SER 528 HA SER 528 4.909 7.028 -4.807 44 HB2 SER 528 1HB SER 528 4.258 5.158 -3.382 45 HB3 SER 528 2HB SER 528 4.546 4.584 -5.023 46 HG SER 528 HG SER 528 5.515 3.401 -3.122 47 HA PRO 529 HA PRO 529 8.139 8.549 -1.923 48 HB2 PRO 529 1HB PRO 529 7.101 11.053 -1.757 49 HB3 PRO 529 2HB PRO 529 8.193 10.549 -3.053 50 HG2 PRO 529 1HG PRO 529 5.208 10.769 -3.067 51 HG3 PRO 529 2HG PRO 529 6.372 11.265 -4.310 52 HD2 PRO 529 1HD PRO 529 4.958 8.962 -4.474 53 HD3 PRO 529 2HD PRO 529 6.600 9.122 -5.128 54 H GLU 530 H GLU 530 7.948 9.326 0.269 55 HA GLU 530 HA GLU 530 5.332 9.447 1.488 56 HB2 GLU 530 1HB GLU 530 6.030 7.640 3.178 57 HB3 GLU 530 2HB GLU 530 5.454 7.113 1.603 58 HG2 GLU 530 1HG GLU 530 7.702 6.711 0.858 59 HG3 GLU 530 2HG GLU 530 8.357 7.385 2.349 60 H GLY 531 H GLY 531 5.630 11.321 2.530 61 HA2 GLY 531 1HA GLY 531 6.723 11.765 4.887 62 HA3 GLY 531 2HA GLY 531 8.168 11.832 3.890 63 H SER 532 H SER 532 5.344 13.485 4.936 64 HA SER 532 HA SER 532 6.367 15.979 3.926 65 HB2 SER 532 1HB SER 532 4.094 16.492 2.805 66 HB3 SER 532 2HB SER 532 5.240 15.483 1.924 67 HG SER 532 HG SER 532 4.081 13.658 2.652 68 H GLY 533 H GLY 533 3.114 14.817 4.820 69 HA2 GLY 533 1HA GLY 533 3.304 16.390 7.298 70 HA3 GLY 533 2HA GLY 533 1.962 16.682 6.200 71 H ASN 534 H ASN 534 0.152 15.744 6.838 72 HA ASN 534 HA ASN 534 0.261 13.443 8.617 73 HB2 ASN 534 1HB ASN 534 -2.081 15.107 7.661 74 HB3 ASN 534 2HB ASN 534 -2.181 13.809 8.848 75 HD21 ASN 534 2HD2 ASN 534 -0.816 16.974 8.196 76 HD22 ASN 534 1HD2 ASN 534 -0.619 17.436 9.848 77 H LEU 535 H LEU 535 -0.366 14.176 5.312 78 HA LEU 535 HA LEU 535 -1.922 11.843 4.730 79 HB2 LEU 535 1HB LEU 535 -0.421 13.762 2.961 80 HB3 LEU 535 2HB LEU 535 -1.420 12.442 2.356 81 HG LEU 535 HG LEU 535 -2.742 14.376 2.170 82 HD11 LEU 535 1HD1 LEU 535 -3.537 13.068 4.767 83 HD12 LEU 535 2HD1 LEU 535 -3.895 12.441 3.158 84 HD13 LEU 535 3HD1 LEU 535 -4.589 13.976 3.680 85 HD21 LEU 535 3HD2 LEU 535 -2.481 15.144 5.032 86 HD22 LEU 535 1HD2 LEU 535 -2.812 16.143 3.617 87 HD23 LEU 535 2HD2 LEU 535 -1.173 15.567 3.925 88 H ALA 536 H ALA 536 1.411 12.488 5.140 89 HA ALA 536 HA ALA 536 2.515 10.508 3.454 90 HB1 ALA 536 1HB ALA 536 4.550 10.915 4.521 91 HB2 ALA 536 2HB ALA 536 3.694 12.453 4.638 92 HB3 ALA 536 3HB ALA 536 3.772 11.377 6.035 93 H VAL 537 H VAL 537 1.253 10.425 6.732 94 HA VAL 537 HA VAL 537 2.240 7.981 7.600 95 HB VAL 537 HB VAL 537 -0.532 9.025 8.185 96 HG11 VAL 537 1HG1 VAL 537 -0.026 7.906 10.410 97 HG12 VAL 537 2HG1 VAL 537 -0.330 6.838 9.037 98 HG13 VAL 537 3HG1 VAL 537 1.322 7.120 9.589 99 HG21 VAL 537 3HG2 VAL 537 2.126 10.016 8.972 100 HG22 VAL 537 1HG2 VAL 537 0.576 10.855 8.895 101 HG23 VAL 537 2HG2 VAL 537 0.961 9.841 10.284 102 H ILE 538 H ILE 538 -0.137 8.667 5.196 103 HA ILE 538 HA ILE 538 -1.614 6.289 5.213 104 HB ILE 538 HB ILE 538 -0.895 7.935 2.786 105 HG12 ILE 538 1HG1 ILE 538 -3.301 8.217 4.593 106 HG13 ILE 538 2HG1 ILE 538 -1.879 9.251 4.685 107 HG21 ILE 538 1HG2 ILE 538 -3.244 7.081 2.124 108 HG22 ILE 538 2HG2 ILE 538 -1.865 5.993 1.972 109 HG23 ILE 538 3HG2 ILE 538 -2.959 5.843 3.346 110 HD11 ILE 538 3HD1 ILE 538 -4.036 9.159 2.659 111 HD12 ILE 538 1HD1 ILE 538 -3.211 10.541 3.379 112 HD13 ILE 538 2HD1 ILE 538 -2.413 9.593 2.122 113 H GLY 539 H GLY 539 1.098 7.147 3.048 114 HA2 GLY 539 1HA GLY 539 1.396 4.604 1.915 115 HA3 GLY 539 2HA GLY 539 2.647 5.837 1.977 116 H GLY 540 H GLY 540 2.976 6.037 4.751 117 HA2 GLY 540 1HA GLY 540 4.870 4.100 5.278 118 HA3 GLY 540 2HA GLY 540 4.054 5.041 6.518 119 H VAL 541 H VAL 541 1.514 4.162 6.475 120 HA VAL 541 HA VAL 541 1.753 1.576 7.692 121 HB VAL 541 HB VAL 541 -0.736 3.185 7.099 122 HG11 VAL 541 1HG1 VAL 541 -1.509 1.036 7.498 123 HG12 VAL 541 2HG1 VAL 541 -0.229 0.682 8.662 124 HG13 VAL 541 3HG1 VAL 541 -1.550 1.764 9.104 125 HG21 VAL 541 3HG2 VAL 541 0.457 4.547 8.539 126 HG22 VAL 541 1HG2 VAL 541 -0.500 3.576 9.658 127 HG23 VAL 541 2HG2 VAL 541 1.198 3.186 9.382 128 H ALA 542 H ALA 542 -0.112 2.814 4.914 129 HA ALA 542 HA ALA 542 -1.231 0.466 4.027 130 HB1 ALA 542 1HB ALA 542 -1.725 1.560 2.075 131 HB2 ALA 542 2HB ALA 542 -1.371 2.929 3.130 132 HB3 ALA 542 3HB ALA 542 -0.151 2.355 1.993 133 H VAL 543 H VAL 543 1.799 1.854 2.742 134 HA VAL 543 HA VAL 543 2.559 -0.321 1.194 135 HB VAL 543 HB VAL 543 4.336 1.657 2.630 136 HG11 VAL 543 1HG1 VAL 543 6.066 0.460 1.922 137 HG12 VAL 543 2HG1 VAL 543 4.993 -0.694 1.128 138 HG13 VAL 543 3HG1 VAL 543 5.544 0.741 0.262 139 HG21 VAL 543 3HG2 VAL 543 2.528 2.353 0.858 140 HG22 VAL 543 1HG2 VAL 543 4.146 3.052 0.816 141 HG23 VAL 543 2HG2 VAL 543 3.722 1.743 -0.286 142 H GLY 544 H GLY 544 3.502 0.437 4.548 143 HA2 GLY 544 1HA GLY 544 5.184 -1.700 5.037 144 HA3 GLY 544 2HA GLY 544 4.179 -0.936 6.261 145 H VAL 545 H VAL 545 1.663 -1.641 5.047 146 HA VAL 545 HA VAL 545 1.311 -4.205 6.211 147 HB VAL 545 HB VAL 545 -0.552 -2.631 4.427 148 HG11 VAL 545 1HG1 VAL 545 -0.744 -5.290 5.592 149 HG12 VAL 545 2HG1 VAL 545 -2.082 -4.238 6.058 150 HG13 VAL 545 3HG1 VAL 545 -1.736 -4.523 4.352 151 HG21 VAL 545 3HG2 VAL 545 0.329 -2.053 6.989 152 HG22 VAL 545 1HG2 VAL 545 -1.113 -1.408 6.206 153 HG23 VAL 545 2HG2 VAL 545 -1.234 -2.830 7.240 154 H VAL 546 H VAL 546 1.569 -3.058 2.882 155 HA VAL 546 HA VAL 546 0.860 -5.411 1.554 156 HB VAL 546 HB VAL 546 2.957 -3.464 0.598 157 HG11 VAL 546 1HG1 VAL 546 1.936 -4.080 -1.629 158 HG12 VAL 546 2HG1 VAL 546 2.854 -5.353 -0.824 159 HG13 VAL 546 3HG1 VAL 546 1.091 -5.378 -0.784 160 HG21 VAL 546 3HG2 VAL 546 0.185 -2.996 1.201 161 HG22 VAL 546 1HG2 VAL 546 1.414 -1.863 0.637 162 HG23 VAL 546 2HG2 VAL 546 0.476 -2.802 -0.526 163 H LEU 547 H LEU 547 4.121 -4.233 2.397 164 HA LEU 547 HA LEU 547 5.570 -6.415 1.480 165 HB2 LEU 547 1HB LEU 547 6.038 -4.409 3.651 166 HB3 LEU 547 2HB LEU 547 7.178 -5.730 3.397 167 HG LEU 547 HG LEU 547 7.970 -3.726 2.304 168 HD11 LEU 547 1HD1 LEU 547 7.195 -5.060 -0.139 169 HD12 LEU 547 2HD1 LEU 547 7.675 -6.211 1.106 170 HD13 LEU 547 3HD1 LEU 547 8.781 -4.927 0.621 171 HD21 LEU 547 3HD2 LEU 547 5.408 -3.791 0.714 172 HD22 LEU 547 1HD2 LEU 547 6.738 -2.649 0.521 173 HD23 LEU 547 2HD2 LEU 547 5.777 -2.643 2.002 174 H LEU 548 H LEU 548 4.170 -5.865 4.699 175 HA LEU 548 HA LEU 548 5.100 -8.182 5.938 176 HB2 LEU 548 1HB LEU 548 3.862 -6.155 6.919 177 HB3 LEU 548 2HB LEU 548 2.389 -7.021 6.486 178 HG LEU 548 HG LEU 548 3.038 -7.273 8.864 179 HD11 LEU 548 1HD1 LEU 548 2.108 -9.307 8.905 180 HD12 LEU 548 2HD1 LEU 548 3.367 -10.010 7.891 181 HD13 LEU 548 3HD1 LEU 548 2.026 -9.137 7.152 182 HD21 LEU 548 3HD2 LEU 548 5.234 -9.114 8.064 183 HD22 LEU 548 1HD2 LEU 548 5.003 -8.212 9.562 184 HD23 LEU 548 2HD2 LEU 548 5.562 -7.381 8.110 185 H LEU 549 H LEU 549 2.268 -7.650 3.909 186 HA LEU 549 HA LEU 549 1.009 -10.124 4.331 187 HB2 LEU 549 1HB LEU 549 0.158 -8.004 3.141 188 HB3 LEU 549 2HB LEU 549 0.943 -8.669 1.711 189 HG LEU 549 HG LEU 549 -1.201 -10.104 3.273 190 HD11 LEU 549 1HD1 LEU 549 -1.691 -8.875 0.607 191 HD12 LEU 549 2HD1 LEU 549 -1.758 -7.850 2.042 192 HD13 LEU 549 3HD1 LEU 549 -2.823 -9.249 1.907 193 HD21 LEU 549 3HD2 LEU 549 -0.178 -11.768 2.093 194 HD22 LEU 549 1HD2 LEU 549 0.389 -10.677 0.829 195 HD23 LEU 549 2HD2 LEU 549 -1.299 -11.186 0.861 196 H VAL 550 H VAL 550 3.532 -9.126 2.081 197 HA VAL 550 HA VAL 550 3.582 -11.434 0.483 198 HB VAL 550 HB VAL 550 5.859 -9.573 1.178 199 HG11 VAL 550 1HG1 VAL 550 6.900 -10.404 -0.883 200 HG12 VAL 550 2HG1 VAL 550 6.684 -11.689 0.308 201 HG13 VAL 550 3HG1 VAL 550 5.587 -11.567 -1.069 202 HG21 VAL 550 3HG2 VAL 550 3.508 -9.150 -0.330 203 HG22 VAL 550 1HG2 VAL 550 4.904 -8.085 -0.163 204 HG23 VAL 550 2HG2 VAL 550 4.847 -9.264 -1.472 205 H LEU 551 H LEU 551 5.698 -10.557 3.221 206 HA LEU 551 HA LEU 551 7.169 -12.882 3.381 207 HB2 LEU 551 1HB LEU 551 6.275 -10.900 5.433 208 HB3 LEU 551 2HB LEU 551 7.181 -12.331 5.920 209 HG LEU 551 HG LEU 551 8.666 -10.437 5.713 210 HD11 LEU 551 1HD1 LEU 551 9.115 -12.883 4.678 211 HD12 LEU 551 2HD1 LEU 551 10.326 -11.603 4.734 212 HD13 LEU 551 3HD1 LEU 551 9.406 -11.882 3.256 213 HD21 LEU 551 3HD2 LEU 551 7.730 -10.267 2.849 214 HD22 LEU 551 1HD2 LEU 551 9.009 -9.300 3.586 215 HD23 LEU 551 2HD2 LEU 551 7.342 -9.120 4.134 216 H ALA 552 H ALA 552 3.941 -12.225 4.612 217 HA ALA 552 HA ALA 552 3.634 -14.523 6.198 218 HB1 ALA 552 1HB ALA 552 1.102 -14.037 5.368 219 HB2 ALA 552 2HB ALA 552 1.908 -13.163 6.670 220 HB3 ALA 552 3HB ALA 552 1.866 -12.481 5.044 221 H GLY 553 H GLY 553 1.922 -14.012 3.118 222 HA2 GLY 553 1HA GLY 553 1.311 -16.670 2.641 223 HA3 GLY 553 2HA GLY 553 1.458 -15.448 1.387 224 H VAL 554 H VAL 554 4.001 -14.851 1.162 225 HA VAL 554 HA VAL 554 5.147 -17.074 -0.125 226 HB VAL 554 HB VAL 554 6.642 -14.621 0.800 227 HG11 VAL 554 1HG1 VAL 554 7.081 -16.610 -1.421 228 HG12 VAL 554 2HG1 VAL 554 7.947 -15.077 -1.291 229 HG13 VAL 554 3HG1 VAL 554 8.120 -16.297 -0.030 230 HG21 VAL 554 3HG2 VAL 554 5.949 -14.221 -1.843 231 HG22 VAL 554 1HG2 VAL 554 4.480 -14.883 -1.123 232 HG23 VAL 554 2HG2 VAL 554 5.219 -13.433 -0.444 233 H GLY 555 H GLY 555 5.076 -16.215 3.155 234 HA2 GLY 555 1HA GLY 555 7.598 -17.330 3.934 235 HA3 GLY 555 2HA GLY 555 6.269 -16.908 5.006 236 H PHE 556 H PHE 556 4.242 -18.498 4.095 237 HA PHE 556 HA PHE 556 5.210 -21.133 4.901 238 HB2 PHE 556 1HB PHE 556 3.371 -20.473 6.216 239 HB3 PHE 556 2HB PHE 556 2.489 -19.851 4.824 240 HD1 PHE 556 2HD PHE 556 3.412 -22.839 6.715 241 HD2 PHE 556 1HD PHE 556 1.258 -21.332 3.367 242 HE1 PHE 556 2HE PHE 556 2.217 -24.980 6.524 243 HE2 PHE 556 1HE PHE 556 0.059 -23.472 3.172 244 HZ PHE 556 HZ PHE 556 0.537 -25.299 4.751 245 H PHE 557 H PHE 557 3.474 -19.541 2.278 246 HA PHE 557 HA PHE 557 2.749 -21.786 0.794 247 HB2 PHE 557 1HB PHE 557 1.917 -19.540 0.290 248 HB3 PHE 557 2HB PHE 557 3.530 -19.038 -0.204 249 HD1 PHE 557 1HD PHE 557 1.917 -22.270 -0.989 250 HD2 PHE 557 2HD PHE 557 3.116 -18.452 -2.441 251 HE1 PHE 557 1HE PHE 557 1.434 -22.996 -3.289 252 HE2 PHE 557 2HE PHE 557 2.634 -19.173 -4.744 253 HZ PHE 557 HZ PHE 557 1.792 -21.448 -5.170 254 H ILE 558 H ILE 558 5.837 -20.406 1.351 255 HA ILE 558 HA ILE 558 7.072 -21.597 -0.984 256 HB ILE 558 HB ILE 558 7.850 -19.423 0.002 257 HG12 ILE 558 1HG1 ILE 558 10.375 -20.507 0.132 258 HG13 ILE 558 2HG1 ILE 558 9.488 -21.732 -0.770 259 HG21 ILE 558 1HG2 ILE 558 9.414 -20.906 2.036 260 HG22 ILE 558 2HG2 ILE 558 8.810 -19.250 2.055 261 HG23 ILE 558 3HG2 ILE 558 7.715 -20.592 2.385 262 HD11 ILE 558 3HD1 ILE 558 10.370 -19.077 -1.575 263 HD12 ILE 558 1HD1 ILE 558 9.975 -20.491 -2.552 264 HD13 ILE 558 2HD1 ILE 558 8.691 -19.421 -1.987 265 H HIS 559 H HIS 559 6.635 -22.315 2.401 266 HA HIS 559 HA HIS 559 8.204 -24.785 2.046 267 HB2 HIS 559 1HB HIS 559 7.762 -23.106 4.517 268 HB3 HIS 559 2HB HIS 559 8.425 -24.737 4.569 269 HD1 HIS 559 1HD HIS 559 9.854 -21.905 5.293 270 HD2 HIS 559 2HD HIS 559 10.489 -24.306 1.962 271 HE1 HIS 559 1HE HIS 559 12.155 -21.316 4.468 272 H ARG 560 H ARG 560 5.428 -24.415 1.338 273 HA ARG 560 HA ARG 560 3.929 -25.797 3.416 274 HB2 ARG 560 1HB ARG 560 1.988 -25.312 2.173 275 HB3 ARG 560 2HB ARG 560 3.005 -23.887 1.996 276 HG2 ARG 560 1HG ARG 560 2.596 -24.082 -0.182 277 HG3 ARG 560 2HG ARG 560 3.759 -25.410 -0.147 278 HD2 ARG 560 1HD ARG 560 1.408 -26.590 0.685 279 HD3 ARG 560 2HD ARG 560 0.877 -25.455 -0.556 280 HE ARG 560 HE ARG 560 2.450 -27.840 -0.937 281 HH11 ARG 560 1HH1 ARG 560 1.509 -24.758 -2.256 282 HH12 ARG 560 2HH1 ARG 560 1.860 -25.205 -3.893 283 HH21 ARG 560 1HH2 ARG 560 2.913 -28.440 -3.089 284 HH22 ARG 560 2HH2 ARG 560 2.657 -27.300 -4.365 285 H ARG 561 H ARG 561 5.633 -26.496 0.513 286 HA ARG 561 HA ARG 561 4.375 -29.137 0.294 287 HB2 ARG 561 1HB ARG 561 5.532 -29.297 -1.873 288 HB3 ARG 561 2HB ARG 561 4.505 -27.872 -1.781 289 HG2 ARG 561 1HG ARG 561 7.235 -27.351 -0.924 290 HG3 ARG 561 2HG ARG 561 7.128 -27.931 -2.588 291 HD2 ARG 561 1HD ARG 561 5.109 -26.137 -2.560 292 HD3 ARG 561 2HD ARG 561 6.205 -25.399 -1.393 293 HE ARG 561 HE ARG 561 6.534 -25.475 -4.205 294 HH11 ARG 561 1HH1 ARG 561 8.317 -25.668 -1.223 295 HH12 ARG 561 2HH1 ARG 561 9.787 -25.058 -1.910 296 HH21 ARG 561 1HH2 ARG 561 8.461 -24.670 -5.123 297 HH22 ARG 561 2HH2 ARG 561 9.866 -24.490 -4.127 298 H ARG 562 H ARG 562 7.281 -27.543 1.258 299 HA ARG 562 HA ARG 562 9.216 -28.287 2.192 300 HB2 ARG 562 1HB ARG 562 7.792 -30.939 2.463 301 HB3 ARG 562 2HB ARG 562 9.192 -30.395 3.379 302 HG2 ARG 562 1HG ARG 562 6.552 -28.968 3.473 303 HG3 ARG 562 2HG ARG 562 6.957 -30.302 4.555 304 HD2 ARG 562 1HD ARG 562 9.077 -28.340 4.450 305 HD3 ARG 562 2HD ARG 562 7.544 -27.606 4.919 306 HE ARG 562 HE ARG 562 7.677 -29.805 6.485 307 HH11 ARG 562 1HH1 ARG 562 9.879 -27.184 5.852 308 HH12 ARG 562 2HH1 ARG 562 10.604 -27.240 7.426 309 HH21 ARG 562 1HH2 ARG 562 8.623 -29.889 8.559 310 HH22 ARG 562 2HH2 ARG 562 9.890 -28.780 8.964 311 H LYS 563 H LYS 563 11.029 -29.878 1.911 312 HA LYS 563 HA LYS 563 11.469 -30.304 -0.883 313 HB2 LYS 563 1HB LYS 563 13.678 -30.992 -0.265 314 HB3 LYS 563 2HB LYS 563 13.243 -29.622 0.748 315 HG2 LYS 563 1HG LYS 563 12.523 -31.404 2.466 316 HG3 LYS 563 2HG LYS 563 13.498 -32.506 1.491 317 HD2 LYS 563 1HD LYS 563 15.059 -30.202 1.858 318 HD3 LYS 563 2HD LYS 563 14.339 -30.558 3.429 319 HE2 LYS 563 1HE LYS 563 15.326 -32.664 3.539 320 HE3 LYS 563 2HE LYS 563 15.614 -32.725 1.801 321 HZ1 LYS 563 3HZ LYS 563 17.558 -31.680 2.017 322 HZ2 LYS 563 1HZ LYS 563 17.459 -32.077 3.659 323 HZ3 LYS 563 2HZ LYS 563 16.957 -30.552 3.126 324 H1 GLU 523 H GLU 523 -21.635 23.527 -21.057 325 HA GLU 523 HA GLU 523 -20.872 25.102 -19.247 326 HB2 GLU 523 1HB GLU 523 -23.382 23.508 -18.696 327 HB3 GLU 523 2HB GLU 523 -22.988 25.056 -17.962 328 HG2 GLU 523 1HG GLU 523 -22.978 24.937 -20.914 329 HG3 GLU 523 2HG GLU 523 -24.542 24.815 -20.111 330 H PHE 524 H PHE 524 -19.931 25.271 -17.296 331 HA PHE 524 HA PHE 524 -19.587 22.787 -15.750 332 HB2 PHE 524 1HB PHE 524 -17.522 23.816 -16.772 333 HB3 PHE 524 2HB PHE 524 -17.769 25.200 -15.711 334 HD1 PHE 524 1HD PHE 524 -16.897 21.638 -15.858 335 HD2 PHE 524 2HD PHE 524 -17.277 25.073 -13.374 336 HE1 PHE 524 1HE PHE 524 -15.655 20.483 -14.077 337 HE2 PHE 524 2HE PHE 524 -16.034 23.924 -11.588 338 HZ PHE 524 HZ PHE 524 -15.221 21.626 -11.939 339 H GLN 525 H GLN 525 -20.753 22.734 -13.955 340 HA GLN 525 HA GLN 525 -21.077 25.221 -12.415 341 HB2 GLN 525 1HB GLN 525 -23.190 23.077 -12.621 342 HB3 GLN 525 2HB GLN 525 -23.342 24.669 -11.888 343 HG2 GLN 525 1HG GLN 525 -22.957 24.109 -14.820 344 HG3 GLN 525 2HG GLN 525 -24.471 24.556 -14.040 345 HE21 GLN 525 2HE2 GLN 525 -23.362 25.983 -16.154 346 HE22 GLN 525 1HE2 GLN 525 -22.896 27.547 -15.585 347 H THR 526 H THR 526 -22.303 24.302 -10.195 348 HA THR 526 HA THR 526 -21.731 23.481 -8.139 349 HB THR 526 HB THR 526 -21.527 21.046 -8.008 350 HG1 THR 526 1HG THR 526 -20.474 20.179 -9.633 351 HG21 THR 526 3HG2 THR 526 -23.546 22.034 -10.022 352 HG22 THR 526 1HG2 THR 526 -23.757 21.904 -8.276 353 HG23 THR 526 2HG2 THR 526 -23.605 20.446 -9.256 354 H LEU 527 H LEU 527 -19.833 24.753 -7.869 355 HA LEU 527 HA LEU 527 -17.298 23.360 -8.389 356 HB2 LEU 527 1HB LEU 527 -16.299 25.622 -7.860 357 HB3 LEU 527 2HB LEU 527 -17.230 25.495 -9.351 358 HG LEU 527 HG LEU 527 -18.710 26.443 -6.977 359 HD11 LEU 527 1HD1 LEU 527 -17.408 28.697 -8.153 360 HD12 LEU 527 2HD1 LEU 527 -16.193 27.571 -7.549 361 HD13 LEU 527 3HD1 LEU 527 -17.442 28.186 -6.465 362 HD21 LEU 527 3HD2 LEU 527 -18.665 27.914 -9.530 363 HD22 LEU 527 1HD2 LEU 527 -20.026 27.416 -8.525 364 HD23 LEU 527 2HD2 LEU 527 -19.258 26.254 -9.607 365 H SER 528 H SER 528 -16.735 22.129 -6.711 366 HA SER 528 HA SER 528 -17.112 23.200 -3.995 367 HB2 SER 528 1HB SER 528 -16.645 20.319 -4.794 368 HB3 SER 528 2HB SER 528 -17.082 20.917 -3.194 369 HG SER 528 HG SER 528 -18.927 20.165 -4.217 370 HA PRO 529 HA PRO 529 -12.782 23.506 -3.353 371 HB2 PRO 529 1HB PRO 529 -12.592 22.883 -0.718 372 HB3 PRO 529 2HB PRO 529 -13.271 24.408 -1.297 373 HG2 PRO 529 1HG PRO 529 -14.683 21.927 -0.399 374 HG3 PRO 529 2HG PRO 529 -15.059 23.621 -0.038 375 HD2 PRO 529 1HD PRO 529 -16.392 22.203 -1.920 376 HD3 PRO 529 2HD PRO 529 -16.113 23.950 -2.061 377 H GLU 530 H GLU 530 -11.406 22.079 -4.211 378 HA GLU 530 HA GLU 530 -10.976 19.539 -2.847 379 HB2 GLU 530 1HB GLU 530 -10.875 18.403 -5.141 380 HB3 GLU 530 2HB GLU 530 -12.465 18.748 -4.479 381 HG2 GLU 530 1HG GLU 530 -12.726 20.644 -5.909 382 HG3 GLU 530 2HG GLU 530 -11.058 20.514 -6.464 383 H GLY 531 H GLY 531 -8.913 19.869 -2.256 384 HA2 GLY 531 1HA GLY 531 -7.021 21.376 -3.702 385 HA3 GLY 531 2HA GLY 531 -6.655 20.244 -2.409 386 H SER 532 H SER 532 -4.726 19.987 -3.887 387 HA SER 532 HA SER 532 -5.174 18.434 -6.286 388 HB2 SER 532 1HB SER 532 -2.517 18.970 -4.955 389 HB3 SER 532 2HB SER 532 -2.825 18.593 -6.650 390 HG SER 532 HG SER 532 -3.513 20.966 -5.257 391 H GLY 533 H GLY 533 -4.229 17.890 -2.962 392 HA2 GLY 533 1HA GLY 533 -3.811 15.969 -1.775 393 HA3 GLY 533 2HA GLY 533 -4.958 15.223 -2.879 394 H ASN 534 H ASN 534 -1.650 16.503 -3.250 395 HA ASN 534 HA ASN 534 -0.873 14.524 -5.099 396 HB2 ASN 534 1HB ASN 534 0.796 16.322 -3.329 397 HB3 ASN 534 2HB ASN 534 1.447 15.331 -4.631 398 HD21 ASN 534 2HD2 ASN 534 0.111 15.646 -6.747 399 HD22 ASN 534 1HD2 ASN 534 -0.137 17.297 -7.197 400 H LEU 535 H LEU 535 -0.943 14.590 -1.637 401 HA LEU 535 HA LEU 535 0.773 12.253 -1.390 402 HB2 LEU 535 1HB LEU 535 -0.712 13.888 0.658 403 HB3 LEU 535 2HB LEU 535 0.307 12.503 1.042 404 HG LEU 535 HG LEU 535 1.626 14.385 1.503 405 HD11 LEU 535 1HD1 LEU 535 2.380 13.575 -1.299 406 HD12 LEU 535 2HD1 LEU 535 2.747 12.641 0.151 407 HD13 LEU 535 3HD1 LEU 535 3.445 14.246 -0.063 408 HD21 LEU 535 3HD2 LEU 535 1.433 16.387 0.527 409 HD22 LEU 535 1HD2 LEU 535 -0.017 15.725 -0.227 410 HD23 LEU 535 2HD2 LEU 535 1.516 15.707 -1.099 411 H ALA 536 H ALA 536 -2.556 13.012 -1.675 412 HA ALA 536 HA ALA 536 -3.690 10.823 -0.304 413 HB1 ALA 536 1HB ALA 536 -4.915 12.101 -2.728 414 HB2 ALA 536 2HB ALA 536 -5.720 11.401 -1.322 415 HB3 ALA 536 3HB ALA 536 -4.848 12.927 -1.170 416 H VAL 537 H VAL 537 -2.441 11.201 -3.568 417 HA VAL 537 HA VAL 537 -3.462 8.921 -4.774 418 HB VAL 537 HB VAL 537 -0.680 10.002 -5.219 419 HG11 VAL 537 1HG1 VAL 537 -0.921 7.965 -6.376 420 HG12 VAL 537 2HG1 VAL 537 -2.567 8.352 -6.878 421 HG13 VAL 537 3HG1 VAL 537 -1.202 9.224 -7.578 422 HG21 VAL 537 3HG2 VAL 537 -2.115 11.164 -7.157 423 HG22 VAL 537 1HG2 VAL 537 -3.339 11.105 -5.890 424 HG23 VAL 537 2HG2 VAL 537 -1.808 11.931 -5.601 425 H ILE 538 H ILE 538 -1.053 9.225 -2.321 426 HA ILE 538 HA ILE 538 0.388 6.855 -2.688 427 HB ILE 538 HB ILE 538 -0.297 8.143 -0.045 428 HG12 ILE 538 1HG1 ILE 538 2.109 8.648 -1.804 429 HG13 ILE 538 2HG1 ILE 538 0.702 9.703 -1.743 430 HG21 ILE 538 1HG2 ILE 538 2.036 7.169 0.482 431 HG22 ILE 538 2HG2 ILE 538 0.645 6.087 0.472 432 HG23 ILE 538 3HG2 ILE 538 1.739 6.128 -0.911 433 HD11 ILE 538 3HD1 ILE 538 1.245 9.665 0.842 434 HD12 ILE 538 1HD1 ILE 538 2.861 9.298 0.240 435 HD13 ILE 538 2HD1 ILE 538 2.046 10.777 -0.269 436 H GLY 539 H GLY 539 -2.322 7.431 -0.428 437 HA2 GLY 539 1HA GLY 539 -2.641 4.750 0.334 438 HA3 GLY 539 2HA GLY 539 -3.874 5.995 0.462 439 H GLY 540 H GLY 540 -4.200 6.602 -2.258 440 HA2 GLY 540 1HA GLY 540 -6.132 4.794 -3.049 441 HA3 GLY 540 2HA GLY 540 -5.301 5.889 -4.145 442 H VAL 541 H VAL 541 -2.766 4.953 -4.204 443 HA VAL 541 HA VAL 541 -3.057 2.578 -5.791 444 HB VAL 541 HB VAL 541 -0.546 4.053 -4.982 445 HG11 VAL 541 1HG1 VAL 541 0.193 2.886 -7.214 446 HG12 VAL 541 2HG1 VAL 541 0.269 2.022 -5.677 447 HG13 VAL 541 3HG1 VAL 541 -1.074 1.739 -6.783 448 HG21 VAL 541 3HG2 VAL 541 -1.005 4.515 -7.658 449 HG22 VAL 541 1HG2 VAL 541 -2.618 4.606 -6.949 450 HG23 VAL 541 2HG2 VAL 541 -1.326 5.644 -6.343 451 H ALA 542 H ALA 542 -1.174 3.373 -2.868 452 HA ALA 542 HA ALA 542 -0.096 0.903 -2.326 453 HB1 ALA 542 1HB ALA 542 -1.149 2.503 -0.045 454 HB2 ALA 542 2HB ALA 542 0.409 1.697 -0.235 455 HB3 ALA 542 3HB ALA 542 0.087 3.209 -1.085 456 H VAL 543 H VAL 543 -3.123 2.145 -0.892 457 HA VAL 543 HA VAL 543 -3.913 -0.229 0.330 458 HB VAL 543 HB VAL 543 -5.646 1.992 -0.760 459 HG11 VAL 543 1HG1 VAL 543 -6.353 -0.551 0.361 460 HG12 VAL 543 2HG1 VAL 543 -6.881 0.748 1.433 461 HG13 VAL 543 3HG1 VAL 543 -7.400 0.728 -0.254 462 HG21 VAL 543 3HG2 VAL 543 -5.271 1.741 2.130 463 HG22 VAL 543 1HG2 VAL 543 -3.791 2.114 1.245 464 HG23 VAL 543 2HG2 VAL 543 -5.197 3.168 1.095 465 H GLY 544 H GLY 544 -4.807 1.057 -2.869 466 HA2 GLY 544 1HA GLY 544 -6.561 -0.928 -3.675 467 HA3 GLY 544 2HA GLY 544 -5.531 -0.013 -4.767 468 H VAL 545 H VAL 545 -3.039 -0.966 -3.689 469 HA VAL 545 HA VAL 545 -2.760 -3.331 -5.232 470 HB VAL 545 HB VAL 545 -0.853 -2.103 -3.237 471 HG11 VAL 545 1HG1 VAL 545 0.003 -4.221 -3.458 472 HG12 VAL 545 2HG1 VAL 545 -0.623 -4.422 -5.096 473 HG13 VAL 545 3HG1 VAL 545 0.791 -3.408 -4.809 474 HG21 VAL 545 3HG2 VAL 545 -0.042 -1.825 -5.954 475 HG22 VAL 545 1HG2 VAL 545 -1.696 -1.236 -5.793 476 HG23 VAL 545 2HG2 VAL 545 -0.419 -0.565 -4.779 477 H VAL 546 H VAL 546 -2.943 -2.702 -1.758 478 HA VAL 546 HA VAL 546 -2.311 -5.240 -0.805 479 HB VAL 546 HB VAL 546 -4.373 -3.416 0.428 480 HG11 VAL 546 1HG1 VAL 546 -3.398 -4.389 2.540 481 HG12 VAL 546 2HG1 VAL 546 -4.328 -5.507 1.541 482 HG13 VAL 546 3HG1 VAL 546 -2.564 -5.559 1.518 483 HG21 VAL 546 3HG2 VAL 546 -1.889 -2.994 1.653 484 HG22 VAL 546 1HG2 VAL 546 -1.587 -2.930 -0.084 485 HG23 VAL 546 2HG2 VAL 546 -2.792 -1.866 0.642 486 H LEU 547 H LEU 547 -5.570 -3.895 -1.356 487 HA LEU 547 HA LEU 547 -7.037 -6.176 -0.824 488 HB2 LEU 547 1HB LEU 547 -7.572 -3.977 -2.812 489 HB3 LEU 547 2HB LEU 547 -8.754 -5.201 -2.356 490 HG LEU 547 HG LEU 547 -7.511 -3.270 -0.403 491 HD11 LEU 547 1HD1 LEU 547 -10.184 -2.609 -0.756 492 HD12 LEU 547 2HD1 LEU 547 -9.564 -2.842 -2.390 493 HD13 LEU 547 3HD1 LEU 547 -8.783 -1.690 -1.307 494 HD21 LEU 547 3HD2 LEU 547 -9.720 -3.945 0.790 495 HD22 LEU 547 1HD2 LEU 547 -8.332 -5.031 0.848 496 HD23 LEU 547 2HD2 LEU 547 -9.655 -5.351 -0.275 497 H LEU 548 H LEU 548 -5.690 -5.110 -3.938 498 HA LEU 548 HA LEU 548 -6.661 -7.191 -5.517 499 HB2 LEU 548 1HB LEU 548 -5.429 -5.031 -6.177 500 HB3 LEU 548 2HB LEU 548 -3.956 -5.965 -5.931 501 HG LEU 548 HG LEU 548 -4.657 -5.819 -8.301 502 HD11 LEU 548 1HD1 LEU 548 -3.634 -7.950 -6.951 503 HD12 LEU 548 2HD1 LEU 548 -3.770 -7.834 -8.704 504 HD13 LEU 548 3HD1 LEU 548 -5.012 -8.677 -7.778 505 HD21 LEU 548 3HD2 LEU 548 -7.162 -5.995 -7.546 506 HD22 LEU 548 1HD2 LEU 548 -6.876 -7.725 -7.735 507 HD23 LEU 548 2HD2 LEU 548 -6.644 -6.638 -9.104 508 H LEU 549 H LEU 549 -3.779 -7.003 -3.496 509 HA LEU 549 HA LEU 549 -2.527 -9.363 -4.343 510 HB2 LEU 549 1HB LEU 549 -1.673 -7.485 -2.803 511 HB3 LEU 549 2HB LEU 549 -2.449 -8.392 -1.507 512 HG LEU 549 HG LEU 549 -0.312 -9.526 -3.306 513 HD11 LEU 549 1HD1 LEU 549 1.316 -8.924 -1.815 514 HD12 LEU 549 2HD1 LEU 549 0.187 -8.774 -0.470 515 HD13 LEU 549 3HD1 LEU 549 0.252 -7.521 -1.709 516 HD21 LEU 549 3HD2 LEU 549 -0.201 -11.010 -1.119 517 HD22 LEU 549 1HD2 LEU 549 -1.323 -11.372 -2.431 518 HD23 LEU 549 2HD2 LEU 549 -1.892 -10.520 -0.995 519 H VAL 550 H VAL 550 -5.033 -8.793 -1.929 520 HA VAL 550 HA VAL 550 -5.063 -11.361 -0.787 521 HB VAL 550 HB VAL 550 -7.332 -9.388 -1.065 522 HG11 VAL 550 1HG1 VAL 550 -8.163 -11.627 -0.602 523 HG12 VAL 550 2HG1 VAL 550 -7.043 -11.777 0.754 524 HG13 VAL 550 3HG1 VAL 550 -8.348 -10.592 0.814 525 HG21 VAL 550 3HG2 VAL 550 -4.957 -9.411 0.556 526 HG22 VAL 550 1HG2 VAL 550 -6.205 -8.172 0.416 527 HG23 VAL 550 2HG2 VAL 550 -6.397 -9.489 1.571 528 H LEU 551 H LEU 551 -7.204 -9.966 -3.277 529 HA LEU 551 HA LEU 551 -8.717 -12.200 -3.840 530 HB2 LEU 551 1HB LEU 551 -7.807 -9.888 -5.505 531 HB3 LEU 551 2HB LEU 551 -8.738 -11.192 -6.238 532 HG LEU 551 HG LEU 551 -10.199 -9.359 -5.676 533 HD11 LEU 551 1HD1 LEU 551 -10.815 -11.332 -3.535 534 HD12 LEU 551 2HD1 LEU 551 -10.764 -11.880 -5.210 535 HD13 LEU 551 3HD1 LEU 551 -11.878 -10.597 -4.735 536 HD21 LEU 551 3HD2 LEU 551 -10.504 -8.619 -3.369 537 HD22 LEU 551 1HD2 LEU 551 -8.847 -8.348 -3.910 538 HD23 LEU 551 2HD2 LEU 551 -9.216 -9.704 -2.844 539 H ALA 552 H ALA 552 -5.487 -11.384 -4.967 540 HA ALA 552 HA ALA 552 -5.239 -13.361 -6.950 541 HB1 ALA 552 1HB ALA 552 -2.696 -13.085 -6.168 542 HB2 ALA 552 2HB ALA 552 -3.532 -11.891 -7.162 543 HB3 ALA 552 3HB ALA 552 -3.383 -11.642 -5.422 544 H GLY 553 H GLY 553 -3.474 -13.438 -3.858 545 HA2 GLY 553 1HA GLY 553 -2.890 -16.140 -3.868 546 HA3 GLY 553 2HA GLY 553 -3.032 -15.167 -2.410 547 H VAL 554 H VAL 554 -5.530 -14.635 -1.993 548 HA VAL 554 HA VAL 554 -6.697 -17.046 -1.170 549 HB VAL 554 HB VAL 554 -8.190 -14.462 -1.610 550 HG11 VAL 554 1HG1 VAL 554 -8.608 -16.809 0.234 551 HG12 VAL 554 2HG1 VAL 554 -9.487 -15.284 0.359 552 HG13 VAL 554 3HG1 VAL 554 -9.651 -16.282 -1.087 553 HG21 VAL 554 3HG2 VAL 554 -7.466 -14.552 1.053 554 HG22 VAL 554 1HG2 VAL 554 -6.008 -15.074 0.209 555 HG23 VAL 554 2HG2 VAL 554 -6.750 -13.523 -0.186 556 H GLY 555 H GLY 555 -6.707 -15.510 -4.218 557 HA2 GLY 555 1HA GLY 555 -9.216 -16.446 -5.185 558 HA3 GLY 555 2HA GLY 555 -7.870 -15.885 -6.167 559 H PHE 556 H PHE 556 -5.893 -17.632 -5.686 560 HA PHE 556 HA PHE 556 -6.949 -20.070 -6.884 561 HB2 PHE 556 1HB PHE 556 -5.108 -19.257 -8.096 562 HB3 PHE 556 2HB PHE 556 -4.198 -18.883 -6.636 563 HD1 PHE 556 1HD PHE 556 -2.992 -20.607 -5.442 564 HD2 PHE 556 2HD PHE 556 -5.186 -21.503 -8.978 565 HE1 PHE 556 1HE PHE 556 -1.831 -22.770 -5.610 566 HE2 PHE 556 2HE PHE 556 -4.030 -23.667 -9.151 567 HZ PHE 556 HZ PHE 556 -2.350 -24.304 -7.465 568 H PHE 557 H PHE 557 -5.632 -18.930 -3.906 569 HA PHE 557 HA PHE 557 -4.816 -21.471 -2.885 570 HB2 PHE 557 1HB PHE 557 -3.902 -19.322 -2.051 571 HB3 PHE 557 2HB PHE 557 -5.478 -18.934 -1.375 572 HD1 PHE 557 2HD PHE 557 -3.985 -22.297 -1.337 573 HD2 PHE 557 1HD PHE 557 -4.801 -18.765 0.893 574 HE1 PHE 557 2HE PHE 557 -3.379 -23.472 0.738 575 HE2 PHE 557 1HE PHE 557 -4.196 -19.933 2.973 576 HZ PHE 557 HZ PHE 557 -3.485 -22.289 2.897 577 H ILE 558 H ILE 558 -7.815 -20.174 -3.505 578 HA ILE 558 HA ILE 558 -9.132 -21.575 -1.294 579 HB ILE 558 HB ILE 558 -9.802 -19.222 -1.847 580 HG12 ILE 558 1HG1 ILE 558 -12.107 -21.108 -2.287 581 HG13 ILE 558 2HG1 ILE 558 -11.268 -21.035 -0.742 582 HG21 ILE 558 1HG2 ILE 558 -9.790 -20.118 -4.444 583 HG22 ILE 558 2HG2 ILE 558 -11.510 -20.020 -4.067 584 HG23 ILE 558 3HG2 ILE 558 -10.484 -18.598 -3.881 585 HD11 ILE 558 3HD1 ILE 558 -12.869 -19.528 -0.286 586 HD12 ILE 558 1HD1 ILE 558 -11.763 -18.428 -1.111 587 HD13 ILE 558 2HD1 ILE 558 -13.130 -19.125 -1.982 588 H HIS 559 H HIS 559 -8.360 -21.933 -4.592 589 HA HIS 559 HA HIS 559 -10.402 -24.027 -4.924 590 HB2 HIS 559 1HB HIS 559 -8.925 -22.307 -6.900 591 HB3 HIS 559 2HB HIS 559 -9.680 -23.817 -7.399 592 HD1 HIS 559 1HD HIS 559 -10.500 -20.780 -8.180 593 HD2 HIS 559 2HD HIS 559 -12.463 -23.350 -5.571 594 HE1 HIS 559 1HE HIS 559 -12.878 -19.961 -8.089 595 H ARG 560 H ARG 560 -7.012 -23.381 -4.751 596 HA ARG 560 HA ARG 560 -6.064 -25.747 -5.984 597 HB2 ARG 560 1HB ARG 560 -3.938 -25.160 -5.163 598 HB3 ARG 560 2HB ARG 560 -4.751 -23.627 -5.437 599 HG2 ARG 560 1HG ARG 560 -3.921 -23.188 -3.385 600 HG3 ARG 560 2HG ARG 560 -5.411 -23.987 -2.881 601 HD2 ARG 560 1HD ARG 560 -4.329 -25.845 -2.154 602 HD3 ARG 560 2HD ARG 560 -3.077 -25.728 -3.390 603 HE ARG 560 HE ARG 560 -2.933 -24.739 -0.736 604 HH11 ARG 560 1HH1 ARG 560 -1.986 -24.005 -4.006 605 HH12 ARG 560 2HH1 ARG 560 -0.600 -23.078 -3.535 606 HH21 ARG 560 1HH2 ARG 560 -1.111 -23.523 -0.104 607 HH22 ARG 560 2HH2 ARG 560 -0.103 -22.805 -1.315 608 H ARG 561 H ARG 561 -7.313 -25.038 -2.826 609 HA ARG 561 HA ARG 561 -6.302 -27.484 -1.651 610 HB2 ARG 561 1HB ARG 561 -8.167 -25.346 -0.611 611 HB3 ARG 561 2HB ARG 561 -7.688 -26.760 0.319 612 HG2 ARG 561 1HG ARG 561 -5.273 -25.955 -0.180 613 HG3 ARG 561 2HG ARG 561 -6.054 -24.410 -0.525 614 HD2 ARG 561 1HD ARG 561 -6.682 -25.869 2.005 615 HD3 ARG 561 2HD ARG 561 -5.193 -24.932 1.879 616 HE ARG 561 HE ARG 561 -7.322 -23.329 1.027 617 HH11 ARG 561 1HH1 ARG 561 -6.131 -24.830 3.934 618 HH12 ARG 561 2HH1 ARG 561 -6.802 -23.628 4.985 619 HH21 ARG 561 1HH2 ARG 561 -8.210 -21.740 2.401 620 HH22 ARG 561 2HH2 ARG 561 -7.985 -21.870 4.113 621 H ARG 562 H ARG 562 -9.339 -26.227 -2.911 622 HA ARG 562 HA ARG 562 -11.344 -27.206 -3.366 623 HB2 ARG 562 1HB ARG 562 -9.471 -29.544 -3.720 624 HB3 ARG 562 2HB ARG 562 -11.189 -29.641 -4.085 625 HG2 ARG 562 1HG ARG 562 -10.527 -27.432 -5.480 626 HG3 ARG 562 2HG ARG 562 -9.010 -28.331 -5.559 627 HD2 ARG 562 1HD ARG 562 -11.737 -29.323 -6.383 628 HD3 ARG 562 2HD ARG 562 -10.410 -28.884 -7.459 629 HE ARG 562 HE ARG 562 -9.328 -30.815 -5.908 630 HH11 ARG 562 1HH1 ARG 562 -12.248 -30.621 -7.794 631 HH12 ARG 562 2HH1 ARG 562 -12.288 -32.317 -8.146 632 HH21 ARG 562 1HH2 ARG 562 -9.369 -33.049 -6.365 633 HH22 ARG 562 2HH2 ARG 562 -10.650 -33.698 -7.332 634 H LYS 563 H LYS 563 -11.963 -26.801 -1.125 635 HA LYS 563 HA LYS 563 -11.771 -28.893 0.818 636 HB2 LYS 563 1HB LYS 563 -13.128 -27.473 2.222 637 HB3 LYS 563 2HB LYS 563 -11.917 -26.487 1.414 638 HG2 LYS 563 1HG LYS 563 -13.513 -25.159 0.660 639 HG3 LYS 563 2HG LYS 563 -14.214 -26.513 -0.232 640 HD2 LYS 563 1HD LYS 563 -15.235 -27.129 2.098 641 HD3 LYS 563 2HD LYS 563 -14.939 -25.425 2.455 642 HE2 LYS 563 1HE LYS 563 -16.550 -24.714 1.035 643 HE3 LYS 563 2HE LYS 563 -16.247 -26.003 -0.127 644 HZ1 LYS 563 3HZ LYS 563 -17.267 -27.415 1.855 645 HZ2 LYS 563 1HZ LYS 563 -18.230 -26.707 0.658 646 HZ3 LYS 563 2HZ LYS 563 -18.052 -25.949 2.160 Start of MODEL 4 1 H1 GLU 523 H GLU 523 9.960 -8.840 -6.541 2 HA GLU 523 HA GLU 523 10.913 -10.376 -8.512 3 HB2 GLU 523 1HB GLU 523 7.958 -9.971 -8.998 4 HB3 GLU 523 2HB GLU 523 9.097 -10.489 -10.234 5 HG2 GLU 523 1HG GLU 523 8.628 -12.567 -9.628 6 HG3 GLU 523 2HG GLU 523 9.547 -12.249 -8.156 7 H PHE 524 H PHE 524 8.361 -7.894 -8.761 8 HA PHE 524 HA PHE 524 10.377 -6.058 -9.864 9 HB2 PHE 524 1HB PHE 524 7.695 -6.799 -10.978 10 HB3 PHE 524 2HB PHE 524 8.339 -5.185 -11.264 11 HD1 PHE 524 1HD PHE 524 11.039 -5.398 -11.875 12 HD2 PHE 524 2HD PHE 524 7.958 -8.197 -12.764 13 HE1 PHE 524 1HE PHE 524 12.372 -6.262 -13.754 14 HE2 PHE 524 2HE PHE 524 9.286 -9.066 -14.644 15 HZ PHE 524 HZ PHE 524 11.495 -8.100 -15.141 16 H GLN 525 H GLN 525 10.352 -4.040 -9.057 17 HA GLN 525 HA GLN 525 7.991 -3.057 -7.660 18 HB2 GLN 525 1HB GLN 525 10.698 -3.368 -6.361 19 HB3 GLN 525 2HB GLN 525 9.411 -2.369 -5.704 20 HG2 GLN 525 1HG GLN 525 8.973 -4.236 -4.529 21 HG3 GLN 525 2HG GLN 525 8.066 -4.655 -5.981 22 HE21 GLN 525 2HE2 GLN 525 11.495 -4.730 -5.063 23 HE22 GLN 525 1HE2 GLN 525 11.753 -6.379 -5.509 24 H THR 526 H THR 526 7.725 -0.896 -7.835 25 HA THR 526 HA THR 526 9.977 0.789 -8.602 26 HB THR 526 HB THR 526 8.427 1.840 -10.398 27 HG1 THR 526 1HG THR 526 7.396 -0.818 -10.363 28 HG21 THR 526 3HG2 THR 526 10.575 0.373 -10.638 29 HG22 THR 526 1HG2 THR 526 9.560 0.679 -12.047 30 HG23 THR 526 2HG2 THR 526 9.442 -0.859 -11.192 31 H LEU 527 H LEU 527 9.455 1.442 -6.357 32 HA LEU 527 HA LEU 527 7.313 3.462 -6.352 33 HB2 LEU 527 1HB LEU 527 7.114 3.003 -3.884 34 HB3 LEU 527 2HB LEU 527 6.498 1.751 -4.960 35 HG LEU 527 HG LEU 527 9.276 1.471 -3.933 36 HD11 LEU 527 1HD1 LEU 527 8.758 1.211 -1.787 37 HD12 LEU 527 2HD1 LEU 527 7.343 0.231 -2.173 38 HD13 LEU 527 3HD1 LEU 527 7.218 1.990 -2.153 39 HD21 LEU 527 3HD2 LEU 527 7.333 -0.742 -3.934 40 HD22 LEU 527 1HD2 LEU 527 9.005 -0.694 -4.493 41 HD23 LEU 527 2HD2 LEU 527 7.716 -0.057 -5.515 42 H SER 528 H SER 528 7.733 5.382 -5.247 43 HA SER 528 HA SER 528 10.533 5.767 -4.411 44 HB2 SER 528 1HB SER 528 8.759 7.688 -5.934 45 HB3 SER 528 2HB SER 528 10.344 8.097 -5.279 46 HG SER 528 HG SER 528 10.820 7.481 -7.288 47 HA PRO 529 HA PRO 529 9.061 7.368 -0.600 48 HB2 PRO 529 1HB PRO 529 10.943 9.246 -0.048 49 HB3 PRO 529 2HB PRO 529 11.258 7.510 0.054 50 HG2 PRO 529 1HG PRO 529 11.926 9.430 -2.143 51 HG3 PRO 529 2HG PRO 529 12.920 8.136 -1.447 52 HD2 PRO 529 1HD PRO 529 11.590 7.854 -3.788 53 HD3 PRO 529 2HD PRO 529 11.869 6.497 -2.679 54 H GLU 530 H GLU 530 7.553 8.802 0.007 55 HA GLU 530 HA GLU 530 7.542 11.477 -1.179 56 HB2 GLU 530 1HB GLU 530 5.015 9.844 -1.027 57 HB3 GLU 530 2HB GLU 530 5.268 11.375 -1.851 58 HG2 GLU 530 1HG GLU 530 7.050 9.912 -3.175 59 HG3 GLU 530 2HG GLU 530 5.941 8.626 -2.701 60 H GLY 531 H GLY 531 5.135 12.363 -0.132 61 HA2 GLY 531 1HA GLY 531 3.986 12.336 2.051 62 HA3 GLY 531 2HA GLY 531 5.559 12.040 2.776 63 H SER 532 H SER 532 3.519 14.225 3.106 64 HA SER 532 HA SER 532 5.416 16.445 2.849 65 HB2 SER 532 1HB SER 532 3.690 17.952 2.033 66 HB3 SER 532 2HB SER 532 3.819 16.569 0.947 67 HG SER 532 HG SER 532 1.727 17.374 2.525 68 H GLY 533 H GLY 533 2.297 15.385 4.194 69 HA2 GLY 533 1HA GLY 533 3.056 16.689 6.721 70 HA3 GLY 533 2HA GLY 533 1.475 17.006 6.023 71 H ASN 534 H ASN 534 -0.143 15.781 6.719 72 HA ASN 534 HA ASN 534 0.460 13.447 8.346 73 HB2 ASN 534 1HB ASN 534 -2.108 14.950 7.810 74 HB3 ASN 534 2HB ASN 534 -2.016 13.508 8.816 75 HD21 ASN 534 2HD2 ASN 534 -0.332 13.637 10.580 76 HD22 ASN 534 1HD2 ASN 534 -0.231 15.131 11.441 77 H LEU 535 H LEU 535 -0.535 14.179 5.164 78 HA LEU 535 HA LEU 535 -2.032 11.821 4.622 79 HB2 LEU 535 1HB LEU 535 -0.612 13.781 2.835 80 HB3 LEU 535 2HB LEU 535 -1.557 12.425 2.223 81 HG LEU 535 HG LEU 535 -2.947 14.324 2.067 82 HD11 LEU 535 1HD1 LEU 535 -4.789 13.797 3.543 83 HD12 LEU 535 2HD1 LEU 535 -3.709 12.905 4.615 84 HD13 LEU 535 3HD1 LEU 535 -4.022 12.309 2.985 85 HD21 LEU 535 3HD2 LEU 535 -1.432 15.465 3.955 86 HD22 LEU 535 1HD2 LEU 535 -2.838 15.044 4.931 87 HD23 LEU 535 2HD2 LEU 535 -3.028 16.068 3.506 88 H ALA 536 H ALA 536 1.314 12.492 4.910 89 HA ALA 536 HA ALA 536 2.362 10.500 3.199 90 HB1 ALA 536 1HB ALA 536 3.728 11.403 5.712 91 HB2 ALA 536 2HB ALA 536 4.438 10.946 4.163 92 HB3 ALA 536 3HB ALA 536 3.568 12.472 4.318 93 H VAL 537 H VAL 537 1.228 10.452 6.523 94 HA VAL 537 HA VAL 537 2.274 8.032 7.391 95 HB VAL 537 HB VAL 537 -0.487 9.050 8.060 96 HG11 VAL 537 1HG1 VAL 537 -0.226 6.883 8.939 97 HG12 VAL 537 2HG1 VAL 537 1.442 7.193 9.424 98 HG13 VAL 537 3HG1 VAL 537 0.113 7.975 10.282 99 HG21 VAL 537 3HG2 VAL 537 0.922 10.004 10.073 100 HG22 VAL 537 1HG2 VAL 537 2.214 9.998 8.872 101 HG23 VAL 537 2HG2 VAL 537 0.738 10.916 8.576 102 H ILE 538 H ILE 538 -0.188 8.652 5.060 103 HA ILE 538 HA ILE 538 -1.635 6.257 5.167 104 HB ILE 538 HB ILE 538 -1.028 7.872 2.689 105 HG12 ILE 538 1HG1 ILE 538 -3.367 8.163 4.582 106 HG13 ILE 538 2HG1 ILE 538 -1.951 9.209 4.607 107 HG21 ILE 538 1HG2 ILE 538 -2.012 5.913 1.942 108 HG22 ILE 538 2HG2 ILE 538 -3.042 5.767 3.365 109 HG23 ILE 538 3HG2 ILE 538 -3.398 6.985 2.141 110 HD11 ILE 538 3HD1 ILE 538 -2.587 9.497 2.054 111 HD12 ILE 538 1HD1 ILE 538 -4.185 9.079 2.672 112 HD13 ILE 538 2HD1 ILE 538 -3.324 10.473 3.326 113 H GLY 539 H GLY 539 0.982 7.120 2.891 114 HA2 GLY 539 1HA GLY 539 1.274 4.568 1.779 115 HA3 GLY 539 2HA GLY 539 2.511 5.816 1.784 116 H GLY 540 H GLY 540 2.939 6.054 4.538 117 HA2 GLY 540 1HA GLY 540 4.872 4.141 5.021 118 HA3 GLY 540 2HA GLY 540 4.093 5.092 6.278 119 H VAL 541 H VAL 541 1.554 4.185 6.321 120 HA VAL 541 HA VAL 541 1.862 1.623 7.574 121 HB VAL 541 HB VAL 541 -0.669 3.182 7.036 122 HG11 VAL 541 1HG1 VAL 541 -0.091 0.889 8.907 123 HG12 VAL 541 2HG1 VAL 541 -1.583 1.829 8.892 124 HG13 VAL 541 3HG1 VAL 541 -1.138 0.857 7.489 125 HG21 VAL 541 3HG2 VAL 541 0.113 3.234 9.766 126 HG22 VAL 541 1HG2 VAL 541 1.492 3.738 8.788 127 HG23 VAL 541 2HG2 VAL 541 -0.050 4.583 8.643 128 H ALA 542 H ALA 542 -0.106 2.798 4.841 129 HA ALA 542 HA ALA 542 -1.228 0.426 4.027 130 HB1 ALA 542 1HB ALA 542 -1.806 1.487 2.085 131 HB2 ALA 542 2HB ALA 542 -1.416 2.878 3.097 132 HB3 ALA 542 3HB ALA 542 -0.240 2.283 1.923 133 H VAL 543 H VAL 543 1.745 1.824 2.627 134 HA VAL 543 HA VAL 543 2.474 -0.375 1.092 135 HB VAL 543 HB VAL 543 4.273 1.662 2.412 136 HG11 VAL 543 1HG1 VAL 543 4.907 -0.713 0.940 137 HG12 VAL 543 2HG1 VAL 543 5.409 0.710 0.025 138 HG13 VAL 543 3HG1 VAL 543 5.993 0.467 1.672 139 HG21 VAL 543 3HG2 VAL 543 4.232 2.750 0.205 140 HG22 VAL 543 1HG2 VAL 543 3.068 1.547 -0.353 141 HG23 VAL 543 2HG2 VAL 543 2.630 2.670 0.936 142 H GLY 544 H GLY 544 3.508 0.469 4.396 143 HA2 GLY 544 1HA GLY 544 5.252 -1.621 4.876 144 HA3 GLY 544 2HA GLY 544 4.265 -0.857 6.113 145 H VAL 545 H VAL 545 1.733 -1.641 4.985 146 HA VAL 545 HA VAL 545 1.479 -4.193 6.202 147 HB VAL 545 HB VAL 545 -0.482 -2.695 4.458 148 HG11 VAL 545 1HG1 VAL 545 -0.876 -5.067 6.276 149 HG12 VAL 545 2HG1 VAL 545 -2.180 -4.138 5.534 150 HG13 VAL 545 3HG1 VAL 545 -1.051 -5.039 4.521 151 HG21 VAL 545 3HG2 VAL 545 -1.090 -1.491 6.249 152 HG22 VAL 545 1HG2 VAL 545 -0.970 -2.875 7.335 153 HG23 VAL 545 2HG2 VAL 545 0.476 -1.959 6.910 154 H VAL 546 H VAL 546 1.568 -3.091 2.845 155 HA VAL 546 HA VAL 546 0.873 -5.469 1.571 156 HB VAL 546 HB VAL 546 2.914 -3.498 0.543 157 HG11 VAL 546 1HG1 VAL 546 1.072 -5.478 -0.778 158 HG12 VAL 546 2HG1 VAL 546 1.871 -4.175 -1.657 159 HG13 VAL 546 3HG1 VAL 546 2.832 -5.413 -0.849 160 HG21 VAL 546 3HG2 VAL 546 0.390 -2.923 -0.542 161 HG22 VAL 546 1HG2 VAL 546 0.151 -3.081 1.199 162 HG23 VAL 546 2HG2 VAL 546 1.334 -1.933 0.570 163 H LEU 547 H LEU 547 4.107 -4.269 2.450 164 HA LEU 547 HA LEU 547 5.573 -6.439 1.476 165 HB2 LEU 547 1HB LEU 547 6.139 -4.571 3.770 166 HB3 LEU 547 2HB LEU 547 7.308 -5.722 3.127 167 HG LEU 547 HG LEU 547 6.146 -3.885 1.142 168 HD11 LEU 547 1HD1 LEU 547 7.567 -2.909 3.562 169 HD12 LEU 547 2HD1 LEU 547 6.306 -2.138 2.601 170 HD13 LEU 547 3HD1 LEU 547 7.966 -2.183 2.005 171 HD21 LEU 547 3HD2 LEU 547 9.025 -4.473 1.777 172 HD22 LEU 547 1HD2 LEU 547 8.326 -3.928 0.252 173 HD23 LEU 547 2HD2 LEU 547 8.018 -5.568 0.827 174 H LEU 548 H LEU 548 4.253 -5.856 4.724 175 HA LEU 548 HA LEU 548 5.222 -8.147 5.970 176 HB2 LEU 548 1HB LEU 548 3.982 -6.118 6.947 177 HB3 LEU 548 2HB LEU 548 2.512 -7.009 6.560 178 HG LEU 548 HG LEU 548 3.210 -7.219 8.927 179 HD11 LEU 548 1HD1 LEU 548 2.196 -9.125 7.268 180 HD12 LEU 548 2HD1 LEU 548 2.327 -9.274 9.020 181 HD13 LEU 548 3HD1 LEU 548 3.574 -9.964 7.981 182 HD21 LEU 548 3HD2 LEU 548 5.464 -8.962 8.007 183 HD22 LEU 548 1HD2 LEU 548 5.185 -8.238 9.592 184 HD23 LEU 548 2HD2 LEU 548 5.702 -7.230 8.240 185 H LEU 549 H LEU 549 2.346 -7.672 3.991 186 HA LEU 549 HA LEU 549 1.131 -10.160 4.474 187 HB2 LEU 549 1HB LEU 549 0.210 -8.060 3.301 188 HB3 LEU 549 2HB LEU 549 0.961 -8.722 1.849 189 HG LEU 549 HG LEU 549 -1.121 -10.166 3.484 190 HD11 LEU 549 1HD1 LEU 549 -1.739 -7.946 2.233 191 HD12 LEU 549 2HD1 LEU 549 -2.782 -9.364 2.129 192 HD13 LEU 549 3HD1 LEU 549 -1.676 -8.985 0.808 193 HD21 LEU 549 3HD2 LEU 549 -1.256 -11.295 1.098 194 HD22 LEU 549 1HD2 LEU 549 -0.101 -11.839 2.317 195 HD23 LEU 549 2HD2 LEU 549 0.424 -10.766 1.019 196 H VAL 550 H VAL 550 3.549 -9.132 2.120 197 HA VAL 550 HA VAL 550 3.593 -11.437 0.530 198 HB VAL 550 HB VAL 550 5.877 -9.568 1.185 199 HG11 VAL 550 1HG1 VAL 550 6.885 -10.381 -0.890 200 HG12 VAL 550 2HG1 VAL 550 6.671 -11.689 0.276 201 HG13 VAL 550 3HG1 VAL 550 5.561 -11.530 -1.085 202 HG21 VAL 550 3HG2 VAL 550 4.933 -8.079 -0.171 203 HG22 VAL 550 1HG2 VAL 550 4.745 -9.287 -1.442 204 HG23 VAL 550 2HG2 VAL 550 3.494 -9.097 -0.213 205 H LEU 551 H LEU 551 5.770 -10.561 3.220 206 HA LEU 551 HA LEU 551 7.256 -12.877 3.337 207 HB2 LEU 551 1HB LEU 551 6.394 -10.912 5.421 208 HB3 LEU 551 2HB LEU 551 7.321 -12.340 5.877 209 HG LEU 551 HG LEU 551 8.787 -10.432 5.647 210 HD11 LEU 551 1HD1 LEU 551 9.147 -12.886 4.448 211 HD12 LEU 551 2HD1 LEU 551 10.399 -11.685 4.756 212 HD13 LEU 551 3HD1 LEU 551 9.601 -11.743 3.184 213 HD21 LEU 551 3HD2 LEU 551 7.793 -10.258 2.804 214 HD22 LEU 551 1HD2 LEU 551 9.073 -9.280 3.522 215 HD23 LEU 551 2HD2 LEU 551 7.415 -9.121 4.100 216 H ALA 552 H ALA 552 4.092 -12.218 4.765 217 HA ALA 552 HA ALA 552 3.856 -14.588 6.261 218 HB1 ALA 552 1HB ALA 552 1.283 -14.025 5.686 219 HB2 ALA 552 2HB ALA 552 2.220 -13.188 6.926 220 HB3 ALA 552 3HB ALA 552 2.036 -12.469 5.326 221 H GLY 553 H GLY 553 1.984 -13.865 3.314 222 HA2 GLY 553 1HA GLY 553 1.205 -16.453 2.748 223 HA3 GLY 553 2HA GLY 553 1.394 -15.195 1.535 224 H VAL 554 H VAL 554 3.941 -14.756 1.209 225 HA VAL 554 HA VAL 554 4.902 -17.020 -0.161 226 HB VAL 554 HB VAL 554 6.567 -14.662 0.721 227 HG11 VAL 554 1HG1 VAL 554 7.764 -15.156 -1.417 228 HG12 VAL 554 2HG1 VAL 554 7.907 -16.418 -0.192 229 HG13 VAL 554 3HG1 VAL 554 6.802 -16.628 -1.549 230 HG21 VAL 554 3HG2 VAL 554 5.162 -13.383 -0.450 231 HG22 VAL 554 1HG2 VAL 554 5.777 -14.201 -1.886 232 HG23 VAL 554 2HG2 VAL 554 4.308 -14.782 -1.102 233 H GLY 555 H GLY 555 5.027 -16.204 3.128 234 HA2 GLY 555 1HA GLY 555 7.520 -17.437 3.793 235 HA3 GLY 555 2HA GLY 555 6.240 -17.005 4.918 236 H PHE 556 H PHE 556 4.137 -18.509 4.020 237 HA PHE 556 HA PHE 556 5.059 -21.200 4.699 238 HB2 PHE 556 1HB PHE 556 3.322 -20.565 6.142 239 HB3 PHE 556 2HB PHE 556 2.398 -19.812 4.846 240 HD1 PHE 556 2HD PHE 556 3.276 -22.961 6.480 241 HD2 PHE 556 1HD PHE 556 1.004 -21.128 3.383 242 HE1 PHE 556 2HE PHE 556 1.961 -25.026 6.226 243 HE2 PHE 556 1HE PHE 556 -0.315 -23.189 3.125 244 HZ PHE 556 HZ PHE 556 0.164 -25.142 4.547 245 H PHE 557 H PHE 557 3.654 -19.375 2.112 246 HA PHE 557 HA PHE 557 2.667 -21.595 0.615 247 HB2 PHE 557 1HB PHE 557 1.818 -19.301 0.294 248 HB3 PHE 557 2HB PHE 557 3.393 -18.810 -0.321 249 HD1 PHE 557 1HD PHE 557 1.686 -22.000 -1.065 250 HD2 PHE 557 2HD PHE 557 2.773 -18.138 -2.491 251 HE1 PHE 557 1HE PHE 557 0.996 -22.648 -3.336 252 HE2 PHE 557 2HE PHE 557 2.083 -18.780 -4.763 253 HZ PHE 557 HZ PHE 557 1.193 -21.037 -5.189 254 H ILE 558 H ILE 558 5.761 -20.581 1.319 255 HA ILE 558 HA ILE 558 6.948 -21.356 -1.216 256 HB ILE 558 HB ILE 558 7.917 -19.477 0.037 257 HG12 ILE 558 1HG1 ILE 558 10.020 -21.585 0.196 258 HG13 ILE 558 2HG1 ILE 558 9.248 -21.313 -1.361 259 HG21 ILE 558 1HG2 ILE 558 8.450 -19.549 2.206 260 HG22 ILE 558 2HG2 ILE 558 7.500 -21.033 2.256 261 HG23 ILE 558 3HG2 ILE 558 9.249 -21.113 2.050 262 HD11 ILE 558 3HD1 ILE 558 9.882 -18.774 -0.418 263 HD12 ILE 558 1HD1 ILE 558 11.278 -19.778 -0.026 264 HD13 ILE 558 2HD1 ILE 558 10.701 -19.679 -1.690 265 H HIS 559 H HIS 559 6.274 -22.726 1.888 266 HA HIS 559 HA HIS 559 7.542 -25.230 1.020 267 HB2 HIS 559 1HB HIS 559 8.221 -25.653 3.380 268 HB3 HIS 559 2HB HIS 559 9.054 -24.284 2.649 269 HD1 HIS 559 1HD HIS 559 6.149 -24.964 4.994 270 HD2 HIS 559 2HD HIS 559 8.886 -21.975 4.077 271 HE1 HIS 559 1HE HIS 559 5.794 -23.172 6.723 272 H ARG 560 H ARG 560 4.821 -24.468 0.770 273 HA ARG 560 HA ARG 560 3.349 -25.723 2.915 274 HB2 ARG 560 1HB ARG 560 1.395 -25.026 1.803 275 HB3 ARG 560 2HB ARG 560 2.557 -23.738 1.515 276 HG2 ARG 560 1HG ARG 560 2.017 -23.922 -0.631 277 HG3 ARG 560 2HG ARG 560 2.939 -25.426 -0.627 278 HD2 ARG 560 1HD ARG 560 0.783 -26.547 0.143 279 HD3 ARG 560 2HD ARG 560 -0.024 -25.046 -0.311 280 HE ARG 560 HE ARG 560 1.351 -25.663 -2.538 281 HH11 ARG 560 1HH1 ARG 560 -0.782 -27.517 -0.505 282 HH12 ARG 560 2HH1 ARG 560 -1.346 -28.527 -1.794 283 HH21 ARG 560 1HH2 ARG 560 0.615 -26.986 -4.244 284 HH22 ARG 560 2HH2 ARG 560 -0.550 -28.224 -3.921 285 H ARG 561 H ARG 561 4.791 -26.676 -0.042 286 HA ARG 561 HA ARG 561 3.345 -29.243 0.056 287 HB2 ARG 561 1HB ARG 561 3.711 -29.483 -2.316 288 HB3 ARG 561 2HB ARG 561 2.961 -27.921 -2.014 289 HG2 ARG 561 1HG ARG 561 4.558 -27.105 -3.336 290 HG3 ARG 561 2HG ARG 561 5.621 -27.305 -1.941 291 HD2 ARG 561 1HD ARG 561 6.324 -29.471 -2.730 292 HD3 ARG 561 2HD ARG 561 5.163 -29.404 -4.054 293 HE ARG 561 HE ARG 561 7.757 -28.237 -4.000 294 HH11 ARG 561 1HH1 ARG 561 4.527 -27.789 -5.220 295 HH12 ARG 561 2HH1 ARG 561 5.032 -26.845 -6.582 296 HH21 ARG 561 1HH2 ARG 561 8.435 -26.994 -5.789 297 HH22 ARG 561 2HH2 ARG 561 7.255 -26.395 -6.905 298 H ARG 562 H ARG 562 6.437 -27.643 -0.083 299 HA ARG 562 HA ARG 562 8.561 -28.371 0.285 300 HB2 ARG 562 1HB ARG 562 7.368 -30.979 1.221 301 HB3 ARG 562 2HB ARG 562 8.908 -30.265 1.685 302 HG2 ARG 562 1HG ARG 562 7.386 -28.326 2.576 303 HG3 ARG 562 2HG ARG 562 6.154 -29.591 2.585 304 HD2 ARG 562 1HD ARG 562 7.443 -30.942 4.063 305 HD3 ARG 562 2HD ARG 562 8.852 -29.899 3.884 306 HE ARG 562 HE ARG 562 6.531 -28.579 4.965 307 HH11 ARG 562 1HH1 ARG 562 9.397 -30.420 5.682 308 HH12 ARG 562 2HH1 ARG 562 9.514 -29.847 7.314 309 HH21 ARG 562 1HH2 ARG 562 6.675 -27.817 7.110 310 HH22 ARG 562 2HH2 ARG 562 7.966 -28.367 8.125 311 H LYS 563 H LYS 563 9.475 -28.544 -1.683 312 HA LYS 563 HA LYS 563 10.257 -29.450 -3.620 313 HB2 LYS 563 1HB LYS 563 9.974 -31.896 -1.886 314 HB3 LYS 563 2HB LYS 563 10.604 -31.994 -3.525 315 HG2 LYS 563 1HG LYS 563 12.470 -30.633 -2.983 316 HG3 LYS 563 2HG LYS 563 11.777 -30.201 -1.417 317 HD2 LYS 563 1HD LYS 563 12.011 -32.489 -0.651 318 HD3 LYS 563 2HD LYS 563 12.598 -32.989 -2.238 319 HE2 LYS 563 1HE LYS 563 14.608 -31.784 -1.981 320 HE3 LYS 563 2HE LYS 563 13.981 -30.876 -0.606 321 HZ1 LYS 563 3HZ LYS 563 15.102 -32.390 0.579 322 HZ2 LYS 563 1HZ LYS 563 15.173 -33.506 -0.690 323 HZ3 LYS 563 2HZ LYS 563 13.783 -33.402 0.267 324 H1 GLU 523 H GLU 523 8.826 34.812 -20.967 325 HA GLU 523 HA GLU 523 8.462 32.387 -20.811 326 HB2 GLU 523 1HB GLU 523 8.382 33.690 -18.085 327 HB3 GLU 523 2HB GLU 523 8.930 32.058 -18.442 328 HG2 GLU 523 1HG GLU 523 10.975 32.894 -18.587 329 HG3 GLU 523 2HG GLU 523 10.469 33.650 -20.098 330 H PHE 524 H PHE 524 7.039 30.758 -20.489 331 HA PHE 524 HA PHE 524 4.373 31.509 -19.488 332 HB2 PHE 524 1HB PHE 524 4.928 30.594 -21.965 333 HB3 PHE 524 2HB PHE 524 4.668 29.063 -21.135 334 HD1 PHE 524 2HD PHE 524 3.093 32.401 -21.618 335 HD2 PHE 524 1HD PHE 524 2.525 28.240 -20.922 336 HE1 PHE 524 2HE PHE 524 0.660 32.699 -21.844 337 HE2 PHE 524 1HE PHE 524 0.093 28.531 -21.148 338 HZ PHE 524 HZ PHE 524 -0.844 30.762 -21.609 339 H GLN 525 H GLN 525 3.438 30.333 -17.896 340 HA GLN 525 HA GLN 525 4.626 27.797 -17.083 341 HB2 GLN 525 1HB GLN 525 4.412 30.210 -15.282 342 HB3 GLN 525 2HB GLN 525 4.658 28.574 -14.686 343 HG2 GLN 525 1HG GLN 525 6.507 30.059 -16.540 344 HG3 GLN 525 2HG GLN 525 6.745 29.832 -14.808 345 HE21 GLN 525 2HE2 GLN 525 6.229 27.294 -14.331 346 HE22 GLN 525 1HE2 GLN 525 7.249 26.243 -15.246 347 H THR 526 H THR 526 3.241 26.465 -15.901 348 HA THR 526 HA THR 526 0.537 27.455 -15.372 349 HB THR 526 HB THR 526 -0.350 25.265 -16.361 350 HG1 THR 526 1HG THR 526 2.029 25.378 -17.906 351 HG21 THR 526 3HG2 THR 526 0.647 26.739 -18.678 352 HG22 THR 526 1HG2 THR 526 -0.041 27.778 -17.431 353 HG23 THR 526 2HG2 THR 526 -1.009 26.479 -18.129 354 H LEU 527 H LEU 527 1.639 27.263 -13.204 355 HA LEU 527 HA LEU 527 1.595 24.496 -12.210 356 HB2 LEU 527 1HB LEU 527 2.916 26.980 -11.143 357 HB3 LEU 527 2HB LEU 527 2.814 25.471 -10.238 358 HG LEU 527 HG LEU 527 4.281 25.912 -12.838 359 HD11 LEU 527 1HD1 LEU 527 6.204 25.182 -11.262 360 HD12 LEU 527 2HD1 LEU 527 5.115 25.698 -9.975 361 HD13 LEU 527 3HD1 LEU 527 5.628 26.848 -11.210 362 HD21 LEU 527 3HD2 LEU 527 4.035 23.722 -13.155 363 HD22 LEU 527 1HD2 LEU 527 3.297 23.503 -11.568 364 HD23 LEU 527 2HD2 LEU 527 5.054 23.488 -11.734 365 H SER 528 H SER 528 0.275 23.902 -10.551 366 HA SER 528 HA SER 528 -2.087 25.376 -10.115 367 HB2 SER 528 1HB SER 528 -0.903 23.006 -8.659 368 HB3 SER 528 2HB SER 528 -2.495 23.670 -8.292 369 HG SER 528 HG SER 528 -1.755 22.023 -10.295 370 HA PRO 529 HA PRO 529 -1.128 28.087 -6.801 371 HB2 PRO 529 1HB PRO 529 -3.453 28.069 -5.399 372 HB3 PRO 529 2HB PRO 529 -3.284 28.866 -6.967 373 HG2 PRO 529 1HG PRO 529 -4.443 26.182 -6.324 374 HG3 PRO 529 2HG PRO 529 -5.047 27.424 -7.434 375 HD2 PRO 529 1HD PRO 529 -3.682 25.247 -8.288 376 HD3 PRO 529 2HD PRO 529 -3.584 26.818 -9.110 377 H GLU 530 H GLU 530 -2.709 25.062 -5.806 378 HA GLU 530 HA GLU 530 -0.767 24.807 -3.640 379 HB2 GLU 530 1HB GLU 530 -2.359 24.481 -1.929 380 HB3 GLU 530 2HB GLU 530 -2.887 25.925 -2.781 381 HG2 GLU 530 1HG GLU 530 -4.407 24.359 -4.114 382 HG3 GLU 530 2HG GLU 530 -4.064 23.173 -2.855 383 H GLY 531 H GLY 531 -1.846 22.582 -2.393 384 HA2 GLY 531 1HA GLY 531 -1.394 20.573 -4.465 385 HA3 GLY 531 2HA GLY 531 -1.351 20.303 -2.730 386 H SER 532 H SER 532 -2.923 19.314 -5.299 387 HA SER 532 HA SER 532 -5.610 19.447 -4.122 388 HB2 SER 532 1HB SER 532 -6.388 18.631 -6.338 389 HB3 SER 532 2HB SER 532 -5.498 20.149 -6.451 390 HG SER 532 HG SER 532 -3.926 19.169 -7.491 391 H GLY 533 H GLY 533 -4.390 17.879 -2.537 392 HA2 GLY 533 1HA GLY 533 -4.358 15.768 -1.638 393 HA3 GLY 533 2HA GLY 533 -5.560 15.338 -2.846 394 H ASN 534 H ASN 534 -2.176 16.373 -3.193 395 HA ASN 534 HA ASN 534 -1.656 14.407 -5.181 396 HB2 ASN 534 1HB ASN 534 0.190 16.220 -3.617 397 HB3 ASN 534 2HB ASN 534 0.724 15.177 -4.932 398 HD21 ASN 534 2HD2 ASN 534 0.705 15.990 -6.903 399 HD22 ASN 534 1HD2 ASN 534 -0.142 17.412 -7.402 400 H LEU 535 H LEU 535 -1.353 14.506 -1.730 401 HA LEU 535 HA LEU 535 0.381 12.187 -1.614 402 HB2 LEU 535 1HB LEU 535 -1.014 13.778 0.530 403 HB3 LEU 535 2HB LEU 535 0.046 12.407 0.847 404 HG LEU 535 HG LEU 535 1.353 14.314 1.246 405 HD11 LEU 535 1HD1 LEU 535 2.456 12.598 -0.128 406 HD12 LEU 535 2HD1 LEU 535 3.085 14.217 -0.441 407 HD13 LEU 535 3HD1 LEU 535 1.967 13.469 -1.581 408 HD21 LEU 535 3HD2 LEU 535 1.415 16.264 -0.049 409 HD22 LEU 535 1HD2 LEU 535 -0.292 15.824 0.002 410 HD23 LEU 535 2HD2 LEU 535 0.667 15.473 -1.438 411 H ALA 536 H ALA 536 -2.978 12.867 -1.670 412 HA ALA 536 HA ALA 536 -3.980 10.649 -0.256 413 HB1 ALA 536 1HB ALA 536 -5.372 11.874 -2.615 414 HB2 ALA 536 2HB ALA 536 -6.073 11.179 -1.152 415 HB3 ALA 536 3HB ALA 536 -5.228 12.726 -1.077 416 H VAL 537 H VAL 537 -2.891 11.043 -3.572 417 HA VAL 537 HA VAL 537 -3.923 8.750 -4.737 418 HB VAL 537 HB VAL 537 -1.171 9.864 -5.281 419 HG11 VAL 537 1HG1 VAL 537 -1.779 9.079 -7.623 420 HG12 VAL 537 2HG1 VAL 537 -1.420 7.827 -6.432 421 HG13 VAL 537 3HG1 VAL 537 -3.092 8.180 -6.864 422 HG21 VAL 537 3HG2 VAL 537 -2.583 11.066 -7.146 423 HG22 VAL 537 1HG2 VAL 537 -3.885 10.879 -5.971 424 HG23 VAL 537 2HG2 VAL 537 -2.426 11.769 -5.536 425 H ILE 538 H ILE 538 -1.408 9.086 -2.390 426 HA ILE 538 HA ILE 538 0.031 6.724 -2.808 427 HB ILE 538 HB ILE 538 -0.548 8.026 -0.145 428 HG12 ILE 538 1HG1 ILE 538 1.792 8.517 -1.995 429 HG13 ILE 538 2HG1 ILE 538 0.381 9.565 -1.910 430 HG21 ILE 538 1HG2 ILE 538 0.425 5.996 0.373 431 HG22 ILE 538 2HG2 ILE 538 1.426 5.986 -1.078 432 HG23 ILE 538 3HG2 ILE 538 1.826 7.059 0.263 433 HD11 ILE 538 3HD1 ILE 538 2.604 9.209 0.009 434 HD12 ILE 538 1HD1 ILE 538 1.758 10.673 -0.493 435 HD13 ILE 538 2HD1 ILE 538 1.006 9.571 0.659 436 H GLY 539 H GLY 539 -2.573 7.287 -0.423 437 HA2 GLY 539 1HA GLY 539 -2.841 4.616 0.371 438 HA3 GLY 539 2HA GLY 539 -4.085 5.847 0.526 439 H GLY 540 H GLY 540 -4.522 6.417 -2.183 440 HA2 GLY 540 1HA GLY 540 -6.455 4.573 -2.882 441 HA3 GLY 540 2HA GLY 540 -5.681 5.668 -4.019 442 H VAL 541 H VAL 541 -3.142 4.772 -4.177 443 HA VAL 541 HA VAL 541 -3.456 2.374 -5.721 444 HB VAL 541 HB VAL 541 -0.949 3.914 -5.031 445 HG11 VAL 541 1HG1 VAL 541 -1.342 1.378 -6.321 446 HG12 VAL 541 2HG1 VAL 541 -0.647 2.540 -7.454 447 HG13 VAL 541 3HG1 VAL 541 0.162 2.209 -5.922 448 HG21 VAL 541 3HG2 VAL 541 -2.948 4.128 -7.244 449 HG22 VAL 541 1HG2 VAL 541 -2.196 5.403 -6.286 450 HG23 VAL 541 2HG2 VAL 541 -1.263 4.568 -7.527 451 H ALA 542 H ALA 542 -1.476 3.231 -2.880 452 HA ALA 542 HA ALA 542 -0.336 0.785 -2.356 453 HB1 ALA 542 1HB ALA 542 -1.323 2.381 -0.045 454 HB2 ALA 542 2HB ALA 542 0.245 1.617 -0.304 455 HB3 ALA 542 3HB ALA 542 -0.156 3.113 -1.146 456 H VAL 543 H VAL 543 -3.321 1.996 -0.811 457 HA VAL 543 HA VAL 543 -4.028 -0.373 0.467 458 HB VAL 543 HB VAL 543 -5.839 1.801 -0.592 459 HG11 VAL 543 1HG1 VAL 543 -7.552 0.519 0.004 460 HG12 VAL 543 2HG1 VAL 543 -6.460 -0.737 0.591 461 HG13 VAL 543 3HG1 VAL 543 -6.966 0.567 1.666 462 HG21 VAL 543 3HG2 VAL 543 -5.333 3.016 1.222 463 HG22 VAL 543 1HG2 VAL 543 -5.364 1.609 2.285 464 HG23 VAL 543 2HG2 VAL 543 -3.913 1.975 1.350 465 H GLY 544 H GLY 544 -5.076 0.852 -2.710 466 HA2 GLY 544 1HA GLY 544 -6.817 -1.173 -3.424 467 HA3 GLY 544 2HA GLY 544 -5.842 -0.261 -4.567 468 H VAL 545 H VAL 545 -3.297 -1.152 -3.583 469 HA VAL 545 HA VAL 545 -3.038 -3.539 -5.092 470 HB VAL 545 HB VAL 545 -1.074 -2.254 -3.188 471 HG11 VAL 545 1HG1 VAL 545 0.612 -3.535 -4.527 472 HG12 VAL 545 2HG1 VAL 545 -0.431 -4.528 -3.507 473 HG13 VAL 545 3HG1 VAL 545 -0.729 -4.429 -5.243 474 HG21 VAL 545 3HG2 VAL 545 -0.579 -0.785 -4.791 475 HG22 VAL 545 1HG2 VAL 545 -0.507 -2.047 -6.021 476 HG23 VAL 545 2HG2 VAL 545 -2.053 -1.309 -5.606 477 H VAL 546 H VAL 546 -3.109 -2.856 -1.625 478 HA VAL 546 HA VAL 546 -2.393 -5.366 -0.654 479 HB VAL 546 HB VAL 546 -4.441 -3.550 0.618 480 HG11 VAL 546 1HG1 VAL 546 -4.339 -5.620 1.763 481 HG12 VAL 546 2HG1 VAL 546 -2.577 -5.660 1.681 482 HG13 VAL 546 3HG1 VAL 546 -3.385 -4.480 2.713 483 HG21 VAL 546 3HG2 VAL 546 -2.870 -1.983 0.770 484 HG22 VAL 546 1HG2 VAL 546 -1.915 -3.094 1.752 485 HG23 VAL 546 2HG2 VAL 546 -1.683 -3.036 0.004 486 H LEU 547 H LEU 547 -5.659 -4.087 -1.288 487 HA LEU 547 HA LEU 547 -7.092 -6.375 -0.605 488 HB2 LEU 547 1HB LEU 547 -7.708 -4.260 -2.660 489 HB3 LEU 547 2HB LEU 547 -8.860 -5.473 -2.106 490 HG LEU 547 HG LEU 547 -7.564 -3.509 -0.231 491 HD11 LEU 547 1HD1 LEU 547 -9.238 -2.798 -2.318 492 HD12 LEU 547 2HD1 LEU 547 -8.913 -1.859 -0.861 493 HD13 LEU 547 3HD1 LEU 547 -10.314 -2.929 -0.927 494 HD21 LEU 547 3HD2 LEU 547 -9.621 -5.608 -0.063 495 HD22 LEU 547 1HD2 LEU 547 -10.007 -4.094 0.757 496 HD23 LEU 547 2HD2 LEU 547 -8.537 -4.974 1.176 497 H LEU 548 H LEU 548 -5.773 -5.392 -3.752 498 HA LEU 548 HA LEU 548 -6.755 -7.528 -5.261 499 HB2 LEU 548 1HB LEU 548 -5.570 -5.369 -6.006 500 HB3 LEU 548 2HB LEU 548 -4.076 -6.272 -5.758 501 HG LEU 548 HG LEU 548 -4.821 -6.206 -8.119 502 HD11 LEU 548 1HD1 LEU 548 -3.901 -8.214 -8.477 503 HD12 LEU 548 2HD1 LEU 548 -5.114 -9.053 -7.508 504 HD13 LEU 548 3HD1 LEU 548 -3.739 -8.279 -6.721 505 HD21 LEU 548 3HD2 LEU 548 -6.830 -6.964 -8.845 506 HD22 LEU 548 1HD2 LEU 548 -7.321 -6.484 -7.220 507 HD23 LEU 548 2HD2 LEU 548 -6.961 -8.174 -7.569 508 H LEU 549 H LEU 549 -3.850 -7.237 -3.289 509 HA LEU 549 HA LEU 549 -2.576 -9.603 -4.090 510 HB2 LEU 549 1HB LEU 549 -1.721 -7.661 -2.631 511 HB3 LEU 549 2HB LEU 549 -2.451 -8.541 -1.290 512 HG LEU 549 HG LEU 549 -0.324 -9.675 -3.102 513 HD11 LEU 549 1HD1 LEU 549 0.220 -7.639 -1.539 514 HD12 LEU 549 2HD1 LEU 549 1.310 -9.021 -1.639 515 HD13 LEU 549 3HD1 LEU 549 0.193 -8.877 -0.282 516 HD21 LEU 549 3HD2 LEU 549 -0.154 -11.134 -0.908 517 HD22 LEU 549 1HD2 LEU 549 -1.301 -11.526 -2.189 518 HD23 LEU 549 2HD2 LEU 549 -1.848 -10.667 -0.749 519 H VAL 550 H VAL 550 -5.018 -8.985 -1.619 520 HA VAL 550 HA VAL 550 -4.991 -11.514 -0.399 521 HB VAL 550 HB VAL 550 -7.311 -9.601 -0.696 522 HG11 VAL 550 1HG1 VAL 550 -6.895 -11.894 1.219 523 HG12 VAL 550 2HG1 VAL 550 -8.229 -10.739 1.276 524 HG13 VAL 550 3HG1 VAL 550 -8.066 -11.832 -0.098 525 HG21 VAL 550 3HG2 VAL 550 -4.885 -9.476 0.840 526 HG22 VAL 550 1HG2 VAL 550 -6.177 -8.286 0.692 527 HG23 VAL 550 2HG2 VAL 550 -6.284 -9.555 1.911 528 H LEU 551 H LEU 551 -7.311 -10.245 -2.799 529 HA LEU 551 HA LEU 551 -8.717 -12.570 -3.269 530 HB2 LEU 551 1HB LEU 551 -8.067 -10.208 -4.984 531 HB3 LEU 551 2HB LEU 551 -8.968 -11.567 -5.651 532 HG LEU 551 HG LEU 551 -10.486 -9.811 -4.979 533 HD11 LEU 551 1HD1 LEU 551 -11.996 -11.271 -4.231 534 HD12 LEU 551 2HD1 LEU 551 -11.069 -11.621 -2.773 535 HD13 LEU 551 3HD1 LEU 551 -10.690 -12.456 -4.278 536 HD21 LEU 551 3HD2 LEU 551 -9.062 -8.754 -3.287 537 HD22 LEU 551 1HD2 LEU 551 -9.323 -10.131 -2.213 538 HD23 LEU 551 2HD2 LEU 551 -10.677 -9.093 -2.661 539 H ALA 552 H ALA 552 -5.563 -11.637 -4.425 540 HA ALA 552 HA ALA 552 -5.334 -13.565 -6.493 541 HB1 ALA 552 1HB ALA 552 -2.756 -13.087 -5.663 542 HB2 ALA 552 2HB ALA 552 -3.644 -12.157 -6.871 543 HB3 ALA 552 3HB ALA 552 -3.606 -11.615 -5.194 544 H GLY 553 H GLY 553 -3.353 -13.534 -3.539 545 HA2 GLY 553 1HA GLY 553 -2.654 -16.210 -3.586 546 HA3 GLY 553 2HA GLY 553 -2.707 -15.228 -2.129 547 H VAL 554 H VAL 554 -5.228 -14.770 -1.575 548 HA VAL 554 HA VAL 554 -6.204 -17.145 -0.507 549 HB VAL 554 HB VAL 554 -7.837 -14.690 -1.164 550 HG11 VAL 554 1HG1 VAL 554 -9.159 -15.448 0.825 551 HG12 VAL 554 2HG1 VAL 554 -9.271 -16.504 -0.583 552 HG13 VAL 554 3HG1 VAL 554 -8.247 -16.955 0.779 553 HG21 VAL 554 3HG2 VAL 554 -7.188 -14.630 1.527 554 HG22 VAL 554 1HG2 VAL 554 -5.689 -15.119 0.737 555 HG23 VAL 554 2HG2 VAL 554 -6.490 -13.623 0.259 556 H GLY 555 H GLY 555 -7.001 -15.526 -3.545 557 HA2 GLY 555 1HA GLY 555 -9.209 -17.102 -4.268 558 HA3 GLY 555 2HA GLY 555 -8.168 -16.235 -5.388 559 H PHE 556 H PHE 556 -5.778 -17.719 -4.486 560 HA PHE 556 HA PHE 556 -6.212 -20.081 -6.139 561 HB2 PHE 556 1HB PHE 556 -4.305 -18.775 -6.766 562 HB3 PHE 556 2HB PHE 556 -3.712 -18.736 -5.110 563 HD1 PHE 556 1HD PHE 556 -2.638 -20.684 -4.125 564 HD2 PHE 556 2HD PHE 556 -3.972 -20.696 -8.167 565 HE1 PHE 556 1HE PHE 556 -1.275 -22.685 -4.565 566 HE2 PHE 556 2HE PHE 556 -2.611 -22.697 -8.613 567 HZ PHE 556 HZ PHE 556 -1.263 -23.695 -6.810 568 H PHE 557 H PHE 557 -5.559 -19.184 -2.847 569 HA PHE 557 HA PHE 557 -4.643 -21.712 -1.938 570 HB2 PHE 557 1HB PHE 557 -5.830 -19.327 -0.522 571 HB3 PHE 557 2HB PHE 557 -5.337 -20.781 0.339 572 HD1 PHE 557 2HD PHE 557 -2.870 -21.525 -1.018 573 HD2 PHE 557 1HD PHE 557 -4.330 -17.680 0.079 574 HE1 PHE 557 2HE PHE 557 -0.561 -20.682 -0.915 575 HE2 PHE 557 1HE PHE 557 -2.023 -16.830 0.182 576 HZ PHE 557 HZ PHE 557 -0.135 -18.331 -0.314 577 H ILE 558 H ILE 558 -7.686 -20.614 -2.908 578 HA ILE 558 HA ILE 558 -9.132 -22.564 -1.277 579 HB ILE 558 HB ILE 558 -10.050 -20.261 -1.541 580 HG12 ILE 558 1HG1 ILE 558 -12.060 -21.999 -2.864 581 HG13 ILE 558 2HG1 ILE 558 -11.372 -22.603 -1.361 582 HG21 ILE 558 1HG2 ILE 558 -9.411 -20.605 -4.200 583 HG22 ILE 558 2HG2 ILE 558 -11.170 -20.736 -4.180 584 HG23 ILE 558 3HG2 ILE 558 -10.386 -19.299 -3.525 585 HD11 ILE 558 3HD1 ILE 558 -13.107 -20.243 -1.844 586 HD12 ILE 558 1HD1 ILE 558 -13.184 -21.467 -0.575 587 HD13 ILE 558 2HD1 ILE 558 -11.962 -20.197 -0.504 588 H HIS 559 H HIS 559 -7.894 -22.110 -4.457 589 HA HIS 559 HA HIS 559 -9.537 -24.273 -5.544 590 HB2 HIS 559 1HB HIS 559 -7.688 -22.252 -6.796 591 HB3 HIS 559 2HB HIS 559 -8.268 -23.654 -7.692 592 HD1 HIS 559 1HD HIS 559 -8.971 -20.315 -7.636 593 HD2 HIS 559 2HD HIS 559 -11.393 -23.640 -7.054 594 HE1 HIS 559 1HE HIS 559 -11.311 -19.535 -8.120 595 H ARG 560 H ARG 560 -6.348 -23.599 -4.398 596 HA ARG 560 HA ARG 560 -4.973 -25.709 -5.691 597 HB2 ARG 560 1HB ARG 560 -3.175 -25.253 -4.214 598 HB3 ARG 560 2HB ARG 560 -3.944 -23.704 -4.535 599 HG2 ARG 560 1HG ARG 560 -3.796 -23.480 -2.305 600 HG3 ARG 560 2HG ARG 560 -5.281 -24.435 -2.321 601 HD2 ARG 560 1HD ARG 560 -4.008 -26.469 -1.972 602 HD3 ARG 560 2HD ARG 560 -2.498 -25.564 -2.049 603 HE ARG 560 HE ARG 560 -3.796 -24.352 -0.029 604 HH11 ARG 560 1HH1 ARG 560 -3.138 -27.699 -0.730 605 HH12 ARG 560 2HH1 ARG 560 -3.079 -28.172 0.935 606 HH21 ARG 560 1HH2 ARG 560 -3.722 -24.963 2.167 607 HH22 ARG 560 2HH2 ARG 560 -3.413 -26.616 2.582 608 H ARG 561 H ARG 561 -6.973 -25.539 -2.845 609 HA ARG 561 HA ARG 561 -6.501 -28.413 -2.392 610 HB2 ARG 561 1HB ARG 561 -7.020 -28.031 -0.012 611 HB3 ARG 561 2HB ARG 561 -5.603 -27.127 -0.533 612 HG2 ARG 561 1HG ARG 561 -6.530 -25.309 0.318 613 HG3 ARG 561 2HG ARG 561 -7.773 -25.411 -0.930 614 HD2 ARG 561 1HD ARG 561 -9.178 -25.539 0.822 615 HD3 ARG 561 2HD ARG 561 -8.691 -27.232 0.846 616 HE ARG 561 HE ARG 561 -6.856 -25.859 2.397 617 HH11 ARG 561 1HH1 ARG 561 -10.279 -26.492 2.422 618 HH12 ARG 561 2HH1 ARG 561 -10.412 -26.422 4.149 619 HH21 ARG 561 1HH2 ARG 561 -7.018 -25.763 4.670 620 HH22 ARG 561 2HH2 ARG 561 -8.557 -26.005 5.426 621 H ARG 562 H ARG 562 -8.479 -27.023 -4.100 622 HA ARG 562 HA ARG 562 -10.683 -27.153 -4.645 623 HB2 ARG 562 1HB ARG 562 -10.693 -29.433 -2.659 624 HB3 ARG 562 2HB ARG 562 -11.904 -29.135 -3.901 625 HG2 ARG 562 1HG ARG 562 -9.006 -29.665 -4.505 626 HG3 ARG 562 2HG ARG 562 -10.239 -30.926 -4.429 627 HD2 ARG 562 1HD ARG 562 -11.423 -30.003 -6.261 628 HD3 ARG 562 2HD ARG 562 -10.485 -28.511 -6.204 629 HE ARG 562 HE ARG 562 -8.622 -30.426 -6.683 630 HH11 ARG 562 1HH1 ARG 562 -11.622 -29.532 -8.208 631 HH12 ARG 562 2HH1 ARG 562 -11.120 -30.038 -9.787 632 HH21 ARG 562 1HH2 ARG 562 -7.950 -31.097 -8.758 633 HH22 ARG 562 2HH2 ARG 562 -9.032 -30.929 -10.098 634 H LYS 563 H LYS 563 -12.999 -27.568 -3.393 635 HA LYS 563 HA LYS 563 -13.151 -25.323 -1.583 636 HB2 LYS 563 1HB LYS 563 -15.607 -25.777 -1.665 637 HB3 LYS 563 2HB LYS 563 -14.874 -25.506 -3.242 638 HG2 LYS 563 1HG LYS 563 -15.281 -27.610 -3.947 639 HG3 LYS 563 2HG LYS 563 -15.038 -28.312 -2.345 640 HD2 LYS 563 1HD LYS 563 -17.272 -28.562 -2.365 641 HD3 LYS 563 2HD LYS 563 -17.293 -26.848 -1.945 642 HE2 LYS 563 1HE LYS 563 -17.479 -26.277 -4.320 643 HE3 LYS 563 2HE LYS 563 -17.460 -27.991 -4.735 644 HZ1 LYS 563 3HZ LYS 563 -19.599 -26.381 -3.581 645 HZ2 LYS 563 1HZ LYS 563 -19.463 -27.973 -3.021 646 HZ3 LYS 563 2HZ LYS 563 -19.682 -27.672 -4.671 Start of MODEL 5 1 H1 GLU 523 H GLU 523 12.734 2.032 -5.671 2 HA GLU 523 HA GLU 523 12.705 2.366 -2.752 3 HB2 GLU 523 1HB GLU 523 14.173 3.950 -4.870 4 HB3 GLU 523 2HB GLU 523 14.273 4.229 -3.136 5 HG2 GLU 523 1HG GLU 523 15.252 1.846 -4.678 6 HG3 GLU 523 2HG GLU 523 16.205 3.021 -3.773 7 H PHE 524 H PHE 524 10.329 2.675 -2.987 8 HA PHE 524 HA PHE 524 9.677 5.419 -3.835 9 HB2 PHE 524 1HB PHE 524 7.953 2.945 -3.680 10 HB3 PHE 524 2HB PHE 524 7.296 4.561 -3.916 11 HD1 PHE 524 1HD PHE 524 8.926 5.849 -5.815 12 HD2 PHE 524 2HD PHE 524 7.877 1.728 -5.616 13 HE1 PHE 524 1HE PHE 524 9.286 5.644 -8.240 14 HE2 PHE 524 2HE PHE 524 8.237 1.517 -8.040 15 HZ PHE 524 HZ PHE 524 8.943 3.476 -9.355 16 H GLN 525 H GLN 525 9.009 6.836 -2.348 17 HA GLN 525 HA GLN 525 7.516 6.204 -0.050 18 HB2 GLN 525 1HB GLN 525 9.359 6.849 1.616 19 HB3 GLN 525 2HB GLN 525 9.393 5.220 0.954 20 HG2 GLN 525 1HG GLN 525 11.617 6.095 0.987 21 HG3 GLN 525 2HG GLN 525 11.081 5.962 -0.688 22 HE21 GLN 525 2HE2 GLN 525 11.027 7.740 -1.936 23 HE22 GLN 525 1HE2 GLN 525 11.448 9.326 -1.399 24 H THR 526 H THR 526 7.657 8.137 1.587 25 HA THR 526 HA THR 526 8.349 10.660 0.330 26 HB THR 526 HB THR 526 5.963 11.516 0.900 27 HG1 THR 526 1HG THR 526 5.467 9.299 1.791 28 HG21 THR 526 3HG2 THR 526 5.992 9.708 -1.481 29 HG22 THR 526 1HG2 THR 526 7.121 11.060 -1.402 30 HG23 THR 526 2HG2 THR 526 5.383 11.356 -1.333 31 H LEU 527 H LEU 527 9.789 10.638 2.170 32 HA LEU 527 HA LEU 527 8.445 11.211 4.726 33 HB2 LEU 527 1HB LEU 527 11.208 10.181 4.125 34 HB3 LEU 527 2HB LEU 527 10.710 10.735 5.722 35 HG LEU 527 HG LEU 527 9.039 8.640 4.465 36 HD11 LEU 527 1HD1 LEU 527 11.404 8.000 3.935 37 HD12 LEU 527 2HD1 LEU 527 10.531 6.854 4.951 38 HD13 LEU 527 3HD1 LEU 527 11.710 7.952 5.670 39 HD21 LEU 527 3HD2 LEU 527 9.506 7.822 6.953 40 HD22 LEU 527 1HD2 LEU 527 8.295 9.049 6.573 41 HD23 LEU 527 2HD2 LEU 527 9.885 9.533 7.163 42 H SER 528 H SER 528 8.347 13.287 5.233 43 HA SER 528 HA SER 528 9.872 15.279 3.885 44 HB2 SER 528 1HB SER 528 8.179 15.537 6.383 45 HB3 SER 528 2HB SER 528 8.743 16.865 5.369 46 HG SER 528 HG SER 528 6.732 16.451 4.645 47 HA PRO 529 HA PRO 529 13.447 15.626 6.406 48 HB2 PRO 529 1HB PRO 529 13.917 18.298 6.293 49 HB3 PRO 529 2HB PRO 529 14.192 17.215 4.924 50 HG2 PRO 529 1HG PRO 529 11.864 19.013 5.477 51 HG3 PRO 529 2HG PRO 529 12.722 18.732 3.951 52 HD2 PRO 529 1HD PRO 529 10.354 17.555 4.530 53 HD3 PRO 529 2HD PRO 529 11.595 16.766 3.535 54 H GLU 530 H GLU 530 10.806 17.873 7.123 55 HA GLU 530 HA GLU 530 11.227 17.430 9.967 56 HB2 GLU 530 1HB GLU 530 10.973 19.971 10.320 57 HB3 GLU 530 2HB GLU 530 12.546 19.352 9.837 58 HG2 GLU 530 1HG GLU 530 12.182 20.037 7.567 59 HG3 GLU 530 2HG GLU 530 10.526 20.515 7.935 60 H GLY 531 H GLY 531 9.274 16.598 10.415 61 HA2 GLY 531 1HA GLY 531 7.016 18.048 10.827 62 HA3 GLY 531 2HA GLY 531 6.875 17.566 9.143 63 H SER 532 H SER 532 4.896 16.527 10.060 64 HA SER 532 HA SER 532 5.552 13.878 11.179 65 HB2 SER 532 1HB SER 532 3.147 13.920 12.025 66 HB3 SER 532 2HB SER 532 4.266 15.029 12.819 67 HG SER 532 HG SER 532 2.507 16.239 12.353 68 H GLY 533 H GLY 533 3.691 15.680 8.815 69 HA2 GLY 533 1HA GLY 533 2.781 15.008 6.811 70 HA3 GLY 533 2HA GLY 533 3.605 13.472 7.025 71 H ASN 534 H ASN 534 0.668 15.269 7.625 72 HA ASN 534 HA ASN 534 -0.726 13.298 9.075 73 HB2 ASN 534 1HB ASN 534 -1.567 15.653 7.412 74 HB3 ASN 534 2HB ASN 534 -2.776 14.542 8.051 75 HD21 ASN 534 2HD2 ASN 534 -0.117 16.661 8.961 76 HD22 ASN 534 1HD2 ASN 534 -0.701 17.012 10.550 77 H LEU 535 H LEU 535 -0.349 13.879 5.620 78 HA LEU 535 HA LEU 535 -2.099 11.635 4.983 79 HB2 LEU 535 1HB LEU 535 -0.628 13.591 3.223 80 HB3 LEU 535 2HB LEU 535 -1.677 12.304 2.631 81 HG LEU 535 HG LEU 535 -2.980 14.243 2.519 82 HD11 LEU 535 1HD1 LEU 535 -4.078 12.309 3.629 83 HD12 LEU 535 2HD1 LEU 535 -4.768 13.871 4.068 84 HD13 LEU 535 3HD1 LEU 535 -3.690 13.038 5.187 85 HD21 LEU 535 3HD2 LEU 535 -2.814 16.052 3.851 86 HD22 LEU 535 1HD2 LEU 535 -1.273 15.326 4.305 87 HD23 LEU 535 2HD2 LEU 535 -2.693 15.091 5.324 88 H ALA 536 H ALA 536 1.224 12.339 5.383 89 HA ALA 536 HA ALA 536 2.359 10.431 3.640 90 HB1 ALA 536 1HB ALA 536 3.519 12.350 4.851 91 HB2 ALA 536 2HB ALA 536 3.589 11.274 6.247 92 HB3 ALA 536 3HB ALA 536 4.392 10.822 4.744 93 H VAL 537 H VAL 537 1.128 10.224 6.928 94 HA VAL 537 HA VAL 537 2.158 7.767 7.702 95 HB VAL 537 HB VAL 537 -0.620 8.750 8.355 96 HG11 VAL 537 1HG1 VAL 537 -0.076 7.566 10.534 97 HG12 VAL 537 2HG1 VAL 537 -0.371 6.540 9.130 98 HG13 VAL 537 3HG1 VAL 537 1.281 6.833 9.677 99 HG21 VAL 537 3HG2 VAL 537 0.923 9.503 10.460 100 HG22 VAL 537 1HG2 VAL 537 2.023 9.778 9.110 101 HG23 VAL 537 2HG2 VAL 537 0.448 10.570 9.138 102 H ILE 538 H ILE 538 -0.264 8.498 5.357 103 HA ILE 538 HA ILE 538 -1.707 6.101 5.311 104 HB ILE 538 HB ILE 538 -1.040 7.837 2.931 105 HG12 ILE 538 1HG1 ILE 538 -3.425 8.023 4.779 106 HG13 ILE 538 2HG1 ILE 538 -2.020 9.078 4.880 107 HG21 ILE 538 1HG2 ILE 538 -1.993 5.914 2.058 108 HG22 ILE 538 2HG2 ILE 538 -3.059 5.691 3.445 109 HG23 ILE 538 3HG2 ILE 538 -3.391 6.969 2.275 110 HD11 ILE 538 3HD1 ILE 538 -2.598 9.486 2.336 111 HD12 ILE 538 1HD1 ILE 538 -4.206 9.011 2.885 112 HD13 ILE 538 2HD1 ILE 538 -3.388 10.384 3.633 113 H GLY 539 H GLY 539 0.970 7.066 3.147 114 HA2 GLY 539 1HA GLY 539 1.286 4.566 1.926 115 HA3 GLY 539 2HA GLY 539 2.522 5.812 2.014 116 H GLY 540 H GLY 540 2.884 5.926 4.788 117 HA2 GLY 540 1HA GLY 540 4.806 3.994 5.230 118 HA3 GLY 540 2HA GLY 540 3.997 4.886 6.508 119 H VAL 541 H VAL 541 1.453 3.974 6.431 120 HA VAL 541 HA VAL 541 1.739 1.357 7.578 121 HB VAL 541 HB VAL 541 -0.786 2.930 7.050 122 HG11 VAL 541 1HG1 VAL 541 -1.637 0.875 7.506 123 HG12 VAL 541 2HG1 VAL 541 -0.203 0.357 8.399 124 HG13 VAL 541 3HG1 VAL 541 -1.382 1.423 9.163 125 HG21 VAL 541 3HG2 VAL 541 0.032 4.326 8.597 126 HG22 VAL 541 1HG2 VAL 541 -0.290 3.029 9.749 127 HG23 VAL 541 2HG2 VAL 541 1.320 3.211 9.050 128 H ALA 542 H ALA 542 -0.165 2.658 4.856 129 HA ALA 542 HA ALA 542 -1.264 0.324 3.905 130 HB1 ALA 542 1HB ALA 542 -0.228 2.283 1.917 131 HB2 ALA 542 2HB ALA 542 -1.795 1.477 1.999 132 HB3 ALA 542 3HB ALA 542 -1.434 2.818 3.087 133 H VAL 543 H VAL 543 1.749 1.788 2.664 134 HA VAL 543 HA VAL 543 2.515 -0.342 1.042 135 HB VAL 543 HB VAL 543 4.271 1.651 2.481 136 HG11 VAL 543 1HG1 VAL 543 5.473 0.802 0.089 137 HG12 VAL 543 2HG1 VAL 543 6.014 0.487 1.741 138 HG13 VAL 543 3HG1 VAL 543 4.951 -0.660 0.924 139 HG21 VAL 543 3HG2 VAL 543 3.848 1.897 -0.406 140 HG22 VAL 543 1HG2 VAL 543 2.395 2.138 0.563 141 HG23 VAL 543 2HG2 VAL 543 3.824 3.130 0.853 142 H GLY 544 H GLY 544 3.469 0.371 4.400 143 HA2 GLY 544 1HA GLY 544 5.218 -1.725 4.832 144 HA3 GLY 544 2HA GLY 544 4.195 -1.021 6.078 145 H VAL 545 H VAL 545 1.691 -1.768 4.919 146 HA VAL 545 HA VAL 545 1.436 -4.376 5.998 147 HB VAL 545 HB VAL 545 -0.506 -2.816 4.288 148 HG11 VAL 545 1HG1 VAL 545 -0.814 -5.339 5.896 149 HG12 VAL 545 2HG1 VAL 545 -2.188 -4.330 5.434 150 HG13 VAL 545 3HG1 VAL 545 -1.181 -5.074 4.191 151 HG21 VAL 545 3HG2 VAL 545 0.409 -2.268 6.849 152 HG22 VAL 545 1HG2 VAL 545 -1.059 -1.640 6.099 153 HG23 VAL 545 2HG2 VAL 545 -1.133 -3.086 7.105 154 H VAL 546 H VAL 546 1.586 -3.125 2.697 155 HA VAL 546 HA VAL 546 0.926 -5.453 1.312 156 HB VAL 546 HB VAL 546 2.956 -3.417 0.394 157 HG11 VAL 546 1HG1 VAL 546 1.137 -5.337 -1.046 158 HG12 VAL 546 2HG1 VAL 546 1.976 -4.007 -1.846 159 HG13 VAL 546 3HG1 VAL 546 2.900 -5.292 -1.066 160 HG21 VAL 546 3HG2 VAL 546 0.447 -2.815 -0.697 161 HG22 VAL 546 1HG2 VAL 546 0.177 -3.063 1.027 162 HG23 VAL 546 2HG2 VAL 546 1.359 -1.873 0.483 163 H LEU 547 H LEU 547 4.148 -4.243 2.232 164 HA LEU 547 HA LEU 547 5.648 -6.351 1.201 165 HB2 LEU 547 1HB LEU 547 6.100 -4.451 3.476 166 HB3 LEU 547 2HB LEU 547 7.279 -5.700 3.083 167 HG LEU 547 HG LEU 547 6.448 -3.991 0.831 168 HD11 LEU 547 1HD1 LEU 547 7.905 -2.903 3.223 169 HD12 LEU 547 2HD1 LEU 547 6.499 -2.234 2.394 170 HD13 LEU 547 3HD1 LEU 547 8.076 -2.213 1.609 171 HD21 LEU 547 3HD2 LEU 547 8.206 -5.748 0.738 172 HD22 LEU 547 1HD2 LEU 547 9.160 -4.794 1.872 173 HD23 LEU 547 2HD2 LEU 547 8.780 -4.144 0.278 174 H LEU 548 H LEU 548 4.219 -5.956 4.425 175 HA LEU 548 HA LEU 548 5.218 -8.316 5.559 176 HB2 LEU 548 1HB LEU 548 4.008 -6.327 6.656 177 HB3 LEU 548 2HB LEU 548 2.526 -7.182 6.233 178 HG LEU 548 HG LEU 548 3.235 -7.529 8.577 179 HD11 LEU 548 1HD1 LEU 548 2.197 -9.332 6.824 180 HD12 LEU 548 2HD1 LEU 548 2.343 -9.583 8.563 181 HD13 LEU 548 3HD1 LEU 548 3.575 -10.221 7.474 182 HD21 LEU 548 3HD2 LEU 548 5.752 -7.633 7.665 183 HD22 LEU 548 1HD2 LEU 548 5.401 -9.359 7.746 184 HD23 LEU 548 2HD2 LEU 548 5.248 -8.359 9.190 185 H LEU 549 H LEU 549 2.329 -7.694 3.638 186 HA LEU 549 HA LEU 549 1.053 -10.160 3.989 187 HB2 LEU 549 1HB LEU 549 0.230 -7.999 2.851 188 HB3 LEU 549 2HB LEU 549 0.995 -8.647 1.402 189 HG LEU 549 HG LEU 549 -1.171 -10.066 2.947 190 HD11 LEU 549 1HD1 LEU 549 -2.772 -9.171 1.580 191 HD12 LEU 549 2HD1 LEU 549 -1.627 -8.798 0.293 192 HD13 LEU 549 3HD1 LEU 549 -1.684 -7.793 1.741 193 HD21 LEU 549 3HD2 LEU 549 -1.287 -11.128 0.531 194 HD22 LEU 549 1HD2 LEU 549 -0.174 -11.736 1.756 195 HD23 LEU 549 2HD2 LEU 549 0.410 -10.646 0.499 196 H VAL 550 H VAL 550 3.557 -9.145 1.720 197 HA VAL 550 HA VAL 550 3.562 -11.456 0.111 198 HB VAL 550 HB VAL 550 5.858 -9.588 0.720 199 HG11 VAL 550 1HG1 VAL 550 6.618 -11.706 -0.222 200 HG12 VAL 550 2HG1 VAL 550 5.472 -11.534 -1.553 201 HG13 VAL 550 3HG1 VAL 550 6.808 -10.394 -1.385 202 HG21 VAL 550 3HG2 VAL 550 4.691 -9.259 -1.874 203 HG22 VAL 550 1HG2 VAL 550 3.441 -9.115 -0.638 204 HG23 VAL 550 2HG2 VAL 550 4.868 -8.078 -0.575 205 H LEU 551 H LEU 551 5.877 -10.538 2.670 206 HA LEU 551 HA LEU 551 7.275 -12.918 2.799 207 HB2 LEU 551 1HB LEU 551 6.670 -10.801 4.822 208 HB3 LEU 551 2HB LEU 551 7.565 -12.245 5.289 209 HG LEU 551 HG LEU 551 9.092 -10.428 4.837 210 HD11 LEU 551 1HD1 LEU 551 10.574 -11.799 3.893 211 HD12 LEU 551 2HD1 LEU 551 9.642 -11.920 2.401 212 HD13 LEU 551 3HD1 LEU 551 9.252 -12.960 3.771 213 HD21 LEU 551 3HD2 LEU 551 7.659 -9.143 3.322 214 HD22 LEU 551 1HD2 LEU 551 7.893 -10.363 2.070 215 HD23 LEU 551 2HD2 LEU 551 9.263 -9.408 2.635 216 H ALA 552 H ALA 552 4.131 -12.136 4.071 217 HA ALA 552 HA ALA 552 3.901 -14.295 5.893 218 HB1 ALA 552 1HB ALA 552 2.232 -12.893 6.412 219 HB2 ALA 552 2HB ALA 552 2.138 -12.245 4.774 220 HB3 ALA 552 3HB ALA 552 1.327 -13.760 5.171 221 H GLY 553 H GLY 553 1.947 -13.925 2.942 222 HA2 GLY 553 1HA GLY 553 1.296 -16.618 2.688 223 HA3 GLY 553 2HA GLY 553 1.274 -15.455 1.370 224 H VAL 554 H VAL 554 3.839 -14.831 0.942 225 HA VAL 554 HA VAL 554 4.834 -16.979 -0.529 226 HB VAL 554 HB VAL 554 6.362 -14.596 0.526 227 HG11 VAL 554 1HG1 VAL 554 7.009 -16.580 -1.646 228 HG12 VAL 554 2HG1 VAL 554 7.851 -15.045 -1.426 229 HG13 VAL 554 3HG1 VAL 554 7.917 -16.276 -0.164 230 HG21 VAL 554 3HG2 VAL 554 5.098 -13.413 -0.873 231 HG22 VAL 554 1HG2 VAL 554 5.847 -14.302 -2.199 232 HG23 VAL 554 2HG2 VAL 554 4.330 -14.870 -1.501 233 H GLY 555 H GLY 555 5.722 -15.826 2.705 234 HA2 GLY 555 1HA GLY 555 7.866 -17.636 3.093 235 HA3 GLY 555 2HA GLY 555 7.004 -16.774 4.358 236 H PHE 556 H PHE 556 4.455 -18.047 3.231 237 HA PHE 556 HA PHE 556 4.672 -20.475 4.838 238 HB2 PHE 556 1HB PHE 556 2.824 -19.076 5.439 239 HB3 PHE 556 2HB PHE 556 2.303 -18.942 3.762 240 HD1 PHE 556 2HD PHE 556 1.144 -20.776 2.668 241 HD2 PHE 556 1HD PHE 556 2.325 -21.028 6.750 242 HE1 PHE 556 2HE PHE 556 -0.356 -22.701 2.980 243 HE2 PHE 556 1HE PHE 556 0.828 -22.954 7.069 244 HZ PHE 556 HZ PHE 556 -0.516 -23.792 5.183 245 H PHE 557 H PHE 557 4.185 -19.427 1.558 246 HA PHE 557 HA PHE 557 3.162 -21.860 0.523 247 HB2 PHE 557 1HB PHE 557 4.549 -19.511 -0.759 248 HB3 PHE 557 2HB PHE 557 4.001 -20.900 -1.689 249 HD1 PHE 557 1HD PHE 557 1.440 -21.533 -0.462 250 HD2 PHE 557 2HD PHE 557 3.180 -17.751 -1.347 251 HE1 PHE 557 1HE PHE 557 -0.805 -20.540 -0.620 252 HE2 PHE 557 2HE PHE 557 0.936 -16.752 -1.505 253 HZ PHE 557 HZ PHE 557 -1.060 -18.147 -1.141 254 H ILE 558 H ILE 558 6.224 -20.995 1.653 255 HA ILE 558 HA ILE 558 7.589 -23.014 0.026 256 HB ILE 558 HB ILE 558 8.643 -20.771 0.285 257 HG12 ILE 558 1HG1 ILE 558 10.279 -22.971 1.557 258 HG13 ILE 558 2HG1 ILE 558 9.924 -22.895 -0.166 259 HG21 ILE 558 1HG2 ILE 558 8.935 -21.626 3.162 260 HG22 ILE 558 2HG2 ILE 558 9.724 -20.229 2.429 261 HG23 ILE 558 3HG2 ILE 558 7.966 -20.282 2.559 262 HD11 ILE 558 3HD1 ILE 558 12.019 -21.952 -0.037 263 HD12 ILE 558 1HD1 ILE 558 10.970 -20.534 -0.023 264 HD13 ILE 558 2HD1 ILE 558 11.671 -21.128 1.482 265 H HIS 559 H HIS 559 6.333 -22.459 3.182 266 HA HIS 559 HA HIS 559 7.825 -24.709 4.311 267 HB2 HIS 559 1HB HIS 559 6.119 -22.538 5.501 268 HB3 HIS 559 2HB HIS 559 6.513 -23.985 6.425 269 HD1 HIS 559 1HD HIS 559 7.487 -21.009 7.046 270 HD2 HIS 559 2HD HIS 559 9.718 -24.025 5.259 271 HE1 HIS 559 1HE HIS 559 9.892 -20.401 7.458 272 H ARG 560 H ARG 560 4.751 -23.907 3.010 273 HA ARG 560 HA ARG 560 3.165 -25.840 4.329 274 HB2 ARG 560 1HB ARG 560 1.502 -25.381 2.701 275 HB3 ARG 560 2HB ARG 560 2.345 -23.863 2.978 276 HG2 ARG 560 1HG ARG 560 2.429 -23.755 0.748 277 HG3 ARG 560 2HG ARG 560 3.771 -24.889 0.909 278 HD2 ARG 560 1HD ARG 560 1.792 -26.651 0.902 279 HD3 ARG 560 2HD ARG 560 0.973 -25.358 0.027 280 HE ARG 560 HE ARG 560 3.094 -27.026 -0.942 281 HH11 ARG 560 1HH1 ARG 560 1.545 -23.924 -1.250 282 HH12 ARG 560 2HH1 ARG 560 2.063 -23.681 -2.886 283 HH21 ARG 560 1HH2 ARG 560 3.783 -26.719 -3.093 284 HH22 ARG 560 2HH2 ARG 560 3.334 -25.273 -3.934 285 H ARG 561 H ARG 561 2.765 -27.951 3.915 286 HA ARG 561 HA ARG 561 3.126 -30.066 3.155 287 HB2 ARG 561 1HB ARG 561 3.432 -28.613 0.521 288 HB3 ARG 561 2HB ARG 561 3.239 -30.351 0.694 289 HG2 ARG 561 1HG ARG 561 1.191 -28.575 1.912 290 HG3 ARG 561 2HG ARG 561 1.197 -28.785 0.159 291 HD2 ARG 561 1HD ARG 561 0.719 -31.042 0.298 292 HD3 ARG 561 2HD ARG 561 1.347 -31.178 1.940 293 HE ARG 561 HE ARG 561 -0.811 -29.536 2.185 294 HH11 ARG 561 1HH1 ARG 561 -0.296 -32.716 0.864 295 HH12 ARG 561 2HH1 ARG 561 -1.898 -33.266 1.224 296 HH21 ARG 561 1HH2 ARG 561 -2.924 -30.250 2.665 297 HH22 ARG 561 2HH2 ARG 561 -3.391 -31.864 2.248 298 H ARG 562 H ARG 562 5.427 -28.356 3.995 299 HA ARG 562 HA ARG 562 7.702 -28.434 4.098 300 HB2 ARG 562 1HB ARG 562 7.296 -31.279 3.159 301 HB3 ARG 562 2HB ARG 562 8.708 -30.646 3.995 302 HG2 ARG 562 1HG ARG 562 5.928 -30.844 5.134 303 HG3 ARG 562 2HG ARG 562 7.278 -31.922 5.494 304 HD2 ARG 562 1HD ARG 562 8.423 -29.564 6.057 305 HD3 ARG 562 2HD ARG 562 6.743 -29.166 6.416 306 HE ARG 562 HE ARG 562 8.475 -30.849 7.943 307 HH11 ARG 562 1HH1 ARG 562 5.156 -30.265 7.069 308 HH12 ARG 562 2HH1 ARG 562 4.514 -30.989 8.506 309 HH21 ARG 562 1HH2 ARG 562 7.640 -31.804 9.840 310 HH22 ARG 562 2HH2 ARG 562 5.927 -31.863 10.082 311 H LYS 563 H LYS 563 9.687 -29.586 2.683 312 HA LYS 563 HA LYS 563 9.224 -28.648 -0.074 313 HB2 LYS 563 1HB LYS 563 11.702 -28.406 1.640 314 HB3 LYS 563 2HB LYS 563 11.658 -28.041 -0.080 315 HG2 LYS 563 1HG LYS 563 9.653 -26.685 1.613 316 HG3 LYS 563 2HG LYS 563 11.336 -26.192 1.815 317 HD2 LYS 563 1HD LYS 563 9.952 -26.339 -0.858 318 HD3 LYS 563 2HD LYS 563 10.029 -24.872 0.121 319 HE2 LYS 563 1HE LYS 563 12.063 -24.430 -0.651 320 HE3 LYS 563 2HE LYS 563 12.647 -25.996 -0.091 321 HZ1 LYS 563 3HZ LYS 563 12.689 -25.338 -2.618 322 HZ2 LYS 563 1HZ LYS 563 11.102 -25.921 -2.572 323 HZ3 LYS 563 2HZ LYS 563 12.386 -26.929 -2.131 324 H1 GLU 523 H GLU 523 11.669 25.930 -10.747 325 HA GLU 523 HA GLU 523 12.682 24.602 -8.348 326 HB2 GLU 523 1HB GLU 523 13.587 26.973 -9.957 327 HB3 GLU 523 2HB GLU 523 14.199 26.699 -8.330 328 HG2 GLU 523 1HG GLU 523 14.554 24.253 -9.470 329 HG3 GLU 523 2HG GLU 523 14.829 25.334 -10.836 330 H PHE 524 H PHE 524 11.861 27.992 -9.079 331 HA PHE 524 HA PHE 524 11.346 28.744 -6.450 332 HB2 PHE 524 1HB PHE 524 10.300 29.866 -9.052 333 HB3 PHE 524 2HB PHE 524 10.037 30.637 -7.491 334 HD1 PHE 524 1HD PHE 524 12.299 30.905 -6.075 335 HD2 PHE 524 2HD PHE 524 12.035 30.652 -10.316 336 HE1 PHE 524 1HE PHE 524 14.465 32.053 -6.275 337 HE2 PHE 524 2HE PHE 524 14.202 31.800 -10.523 338 HZ PHE 524 HZ PHE 524 15.421 32.500 -8.501 339 H GLN 525 H GLN 525 9.653 28.556 -5.108 340 HA GLN 525 HA GLN 525 7.048 27.767 -6.169 341 HB2 GLN 525 1HB GLN 525 8.676 26.187 -4.196 342 HB3 GLN 525 2HB GLN 525 6.922 26.070 -4.234 343 HG2 GLN 525 1HG GLN 525 8.515 25.657 -6.727 344 HG3 GLN 525 2HG GLN 525 8.344 24.359 -5.546 345 HE21 GLN 525 2HE2 GLN 525 6.248 23.555 -5.094 346 HE22 GLN 525 1HE2 GLN 525 4.970 23.720 -6.244 347 H THR 526 H THR 526 5.374 28.664 -5.104 348 HA THR 526 HA THR 526 5.729 29.684 -2.401 349 HB THR 526 HB THR 526 4.753 31.917 -3.078 350 HG1 THR 526 1HG THR 526 5.310 30.809 -5.623 351 HG21 THR 526 3HG2 THR 526 7.136 31.605 -2.511 352 HG22 THR 526 1HG2 THR 526 6.896 32.859 -3.725 353 HG23 THR 526 2HG2 THR 526 7.477 31.266 -4.207 354 H LEU 527 H LEU 527 4.143 28.302 -1.677 355 HA LEU 527 HA LEU 527 2.052 27.526 -1.232 356 HB2 LEU 527 1HB LEU 527 1.506 30.315 -2.177 357 HB3 LEU 527 2HB LEU 527 0.185 29.237 -1.733 358 HG LEU 527 HG LEU 527 0.684 30.680 0.120 359 HD11 LEU 527 1HD1 LEU 527 1.950 28.108 0.946 360 HD12 LEU 527 2HD1 LEU 527 0.278 28.118 0.386 361 HD13 LEU 527 3HD1 LEU 527 0.746 29.091 1.781 362 HD21 LEU 527 3HD2 LEU 527 3.442 29.578 0.398 363 HD22 LEU 527 1HD2 LEU 527 2.769 31.098 0.987 364 HD23 LEU 527 2HD2 LEU 527 3.155 30.910 -0.724 365 H SER 528 H SER 528 -0.294 27.372 -2.326 366 HA SER 528 HA SER 528 0.131 26.713 -5.166 367 HB2 SER 528 1HB SER 528 -1.232 25.106 -3.012 368 HB3 SER 528 2HB SER 528 -1.577 24.840 -4.721 369 HG SER 528 HG SER 528 0.549 24.038 -3.258 370 HA PRO 529 HA PRO 529 -3.472 29.024 -6.126 371 HB2 PRO 529 1HB PRO 529 -4.526 27.583 -8.169 372 HB3 PRO 529 2HB PRO 529 -3.056 28.548 -8.335 373 HG2 PRO 529 1HG PRO 529 -3.346 25.602 -7.891 374 HG3 PRO 529 2HG PRO 529 -2.248 26.468 -8.982 375 HD2 PRO 529 1HD PRO 529 -1.451 25.489 -6.585 376 HD3 PRO 529 2HD PRO 529 -0.760 26.963 -7.294 377 H GLU 530 H GLU 530 -3.943 25.547 -5.688 378 HA GLU 530 HA GLU 530 -6.467 26.117 -4.318 379 HB2 GLU 530 1HB GLU 530 -6.235 23.820 -6.254 380 HB3 GLU 530 2HB GLU 530 -7.684 24.443 -5.479 381 HG2 GLU 530 1HG GLU 530 -6.972 26.636 -6.798 382 HG3 GLU 530 2HG GLU 530 -6.218 25.437 -7.848 383 H GLY 531 H GLY 531 -7.204 23.459 -3.847 384 HA2 GLY 531 1HA GLY 531 -5.778 22.837 -1.550 385 HA3 GLY 531 2HA GLY 531 -6.792 21.702 -2.427 386 H SER 532 H SER 532 -4.575 20.808 -1.096 387 HA SER 532 HA SER 532 -2.823 20.036 -3.329 388 HB2 SER 532 1HB SER 532 -1.862 20.542 -0.505 389 HB3 SER 532 2HB SER 532 -0.872 20.145 -1.909 390 HG SER 532 HG SER 532 -1.850 22.172 -2.808 391 H GLY 533 H GLY 533 -4.275 18.182 -3.411 392 HA2 GLY 533 1HA GLY 533 -3.947 16.295 -1.178 393 HA3 GLY 533 2HA GLY 533 -5.186 16.199 -2.421 394 H ASN 534 H ASN 534 -1.648 16.544 -2.609 395 HA ASN 534 HA ASN 534 -1.542 14.558 -4.699 396 HB2 ASN 534 1HB ASN 534 0.581 16.211 -3.328 397 HB3 ASN 534 2HB ASN 534 0.945 15.030 -4.582 398 HD21 ASN 534 2HD2 ASN 534 -0.347 18.139 -3.865 399 HD22 ASN 534 1HD2 ASN 534 -0.558 18.666 -5.498 400 H LEU 535 H LEU 535 -1.038 14.688 -1.281 401 HA LEU 535 HA LEU 535 0.528 12.286 -1.119 402 HB2 LEU 535 1HB LEU 535 -0.958 13.861 0.978 403 HB3 LEU 535 2HB LEU 535 0.073 12.473 1.322 404 HG LEU 535 HG LEU 535 1.382 14.349 1.823 405 HD11 LEU 535 1HD1 LEU 535 3.188 14.273 0.229 406 HD12 LEU 535 2HD1 LEU 535 2.119 13.604 -1.002 407 HD13 LEU 535 3HD1 LEU 535 2.515 12.655 0.431 408 HD21 LEU 535 3HD2 LEU 535 1.372 16.365 0.754 409 HD22 LEU 535 1HD2 LEU 535 -0.260 15.821 0.369 410 HD23 LEU 535 2HD2 LEU 535 1.028 15.655 -0.823 411 H ALA 536 H ALA 536 -2.798 13.023 -1.400 412 HA ALA 536 HA ALA 536 -3.919 10.798 -0.070 413 HB1 ALA 536 1HB ALA 536 -5.954 11.384 -1.077 414 HB2 ALA 536 2HB ALA 536 -5.095 12.911 -0.875 415 HB3 ALA 536 3HB ALA 536 -5.155 12.134 -2.458 416 H VAL 537 H VAL 537 -2.688 11.267 -3.331 417 HA VAL 537 HA VAL 537 -3.695 9.000 -4.580 418 HB VAL 537 HB VAL 537 -0.933 10.133 -5.030 419 HG11 VAL 537 1HG1 VAL 537 -1.156 8.118 -6.230 420 HG12 VAL 537 2HG1 VAL 537 -2.814 8.491 -6.704 421 HG13 VAL 537 3HG1 VAL 537 -1.471 9.400 -7.399 422 HG21 VAL 537 3HG2 VAL 537 -2.225 12.033 -5.239 423 HG22 VAL 537 1HG2 VAL 537 -2.261 11.400 -6.884 424 HG23 VAL 537 2HG2 VAL 537 -3.634 11.142 -5.809 425 H ILE 538 H ILE 538 -1.276 9.280 -2.137 426 HA ILE 538 HA ILE 538 0.206 6.949 -2.574 427 HB ILE 538 HB ILE 538 -0.490 8.149 0.107 428 HG12 ILE 538 1HG1 ILE 538 1.889 8.754 -1.658 429 HG13 ILE 538 2HG1 ILE 538 0.463 9.780 -1.545 430 HG21 ILE 538 1HG2 ILE 538 1.862 7.210 0.598 431 HG22 ILE 538 2HG2 ILE 538 0.497 6.095 0.553 432 HG23 ILE 538 3HG2 ILE 538 1.589 6.208 -0.828 433 HD11 ILE 538 3HD1 ILE 538 1.805 10.832 -0.054 434 HD12 ILE 538 1HD1 ILE 538 1.041 9.670 1.031 435 HD13 ILE 538 2HD1 ILE 538 2.657 9.355 0.395 436 H GLY 539 H GLY 539 -2.507 7.415 -0.293 437 HA2 GLY 539 1HA GLY 539 -2.770 4.703 0.392 438 HA3 GLY 539 2HA GLY 539 -4.019 5.925 0.577 439 H GLY 540 H GLY 540 -4.381 6.618 -2.122 440 HA2 GLY 540 1HA GLY 540 -6.302 4.815 -2.950 441 HA3 GLY 540 2HA GLY 540 -5.494 5.953 -4.020 442 H VAL 541 H VAL 541 -2.958 5.055 -4.155 443 HA VAL 541 HA VAL 541 -3.239 2.721 -5.802 444 HB VAL 541 HB VAL 541 -0.706 4.148 -4.981 445 HG11 VAL 541 1HG1 VAL 541 -0.319 3.093 -7.479 446 HG12 VAL 541 2HG1 VAL 541 0.241 2.376 -5.966 447 HG13 VAL 541 3HG1 VAL 541 -1.282 1.847 -6.684 448 HG21 VAL 541 3HG2 VAL 541 -2.366 4.538 -7.470 449 HG22 VAL 541 1HG2 VAL 541 -2.353 5.632 -6.087 450 HG23 VAL 541 2HG2 VAL 541 -0.887 5.397 -7.037 451 H ALA 542 H ALA 542 -1.327 3.455 -2.881 452 HA ALA 542 HA ALA 542 -0.209 0.985 -2.429 453 HB1 ALA 542 1HB ALA 542 -1.259 2.538 -0.105 454 HB2 ALA 542 2HB ALA 542 0.285 1.707 -0.299 455 HB3 ALA 542 3HB ALA 542 -0.003 3.237 -1.127 456 H VAL 543 H VAL 543 -3.228 2.143 -0.908 457 HA VAL 543 HA VAL 543 -3.972 -0.270 0.257 458 HB VAL 543 HB VAL 543 -5.755 1.943 -0.771 459 HG11 VAL 543 1HG1 VAL 543 -7.483 0.644 -0.264 460 HG12 VAL 543 2HG1 VAL 543 -6.406 -0.634 0.303 461 HG13 VAL 543 3HG1 VAL 543 -6.936 0.630 1.413 462 HG21 VAL 543 3HG2 VAL 543 -5.640 2.891 1.376 463 HG22 VAL 543 1HG2 VAL 543 -4.912 1.440 2.068 464 HG23 VAL 543 2HG2 VAL 543 -3.976 2.463 0.979 465 H GLY 544 H GLY 544 -4.948 1.077 -2.895 466 HA2 GLY 544 1HA GLY 544 -6.665 -0.920 -3.733 467 HA3 GLY 544 2HA GLY 544 -5.659 0.032 -4.814 468 H VAL 545 H VAL 545 -3.145 -0.912 -3.760 469 HA VAL 545 HA VAL 545 -2.844 -3.237 -5.361 470 HB VAL 545 HB VAL 545 -0.936 -2.030 -3.352 471 HG11 VAL 545 1HG1 VAL 545 -0.327 -4.317 -3.758 472 HG12 VAL 545 2HG1 VAL 545 -0.501 -4.098 -5.501 473 HG13 VAL 545 3HG1 VAL 545 0.793 -3.273 -4.632 474 HG21 VAL 545 3HG2 VAL 545 -1.835 -1.029 -5.800 475 HG22 VAL 545 1HG2 VAL 545 -0.437 -0.485 -4.872 476 HG23 VAL 545 2HG2 VAL 545 -0.240 -1.705 -6.130 477 H VAL 546 H VAL 546 -2.984 -2.685 -1.869 478 HA VAL 546 HA VAL 546 -2.313 -5.228 -0.973 479 HB VAL 546 HB VAL 546 -4.398 -3.454 0.301 480 HG11 VAL 546 1HG1 VAL 546 -4.338 -5.574 1.362 481 HG12 VAL 546 2HG1 VAL 546 -2.574 -5.606 1.353 482 HG13 VAL 546 3HG1 VAL 546 -3.430 -4.468 2.394 483 HG21 VAL 546 3HG2 VAL 546 -1.626 -2.926 -0.210 484 HG22 VAL 546 1HG2 VAL 546 -2.829 -1.905 0.579 485 HG23 VAL 546 2HG2 VAL 546 -1.900 -3.063 1.528 486 H LEU 547 H LEU 547 -5.567 -3.926 -1.633 487 HA LEU 547 HA LEU 547 -7.011 -6.241 -1.089 488 HB2 LEU 547 1HB LEU 547 -7.580 -4.045 -3.073 489 HB3 LEU 547 2HB LEU 547 -8.743 -5.277 -2.587 490 HG LEU 547 HG LEU 547 -7.546 -3.142 -0.824 491 HD11 LEU 547 1HD1 LEU 547 -10.285 -3.550 -2.001 492 HD12 LEU 547 2HD1 LEU 547 -9.190 -2.189 -2.249 493 HD13 LEU 547 3HD1 LEU 547 -9.948 -2.436 -0.676 494 HD21 LEU 547 3HD2 LEU 547 -9.332 -4.053 0.777 495 HD22 LEU 547 1HD2 LEU 547 -7.832 -4.965 0.602 496 HD23 LEU 547 2HD2 LEU 547 -9.292 -5.505 -0.225 497 H LEU 548 H LEU 548 -5.682 -5.105 -4.186 498 HA LEU 548 HA LEU 548 -6.600 -7.182 -5.796 499 HB2 LEU 548 1HB LEU 548 -5.404 -4.990 -6.419 500 HB3 LEU 548 2HB LEU 548 -3.915 -5.902 -6.181 501 HG LEU 548 HG LEU 548 -4.606 -5.734 -8.550 502 HD11 LEU 548 1HD1 LEU 548 -3.698 -7.736 -8.982 503 HD12 LEU 548 2HD1 LEU 548 -4.924 -8.605 -8.061 504 HD13 LEU 548 3HD1 LEU 548 -3.555 -7.866 -7.229 505 HD21 LEU 548 3HD2 LEU 548 -6.597 -6.471 -9.360 506 HD22 LEU 548 1HD2 LEU 548 -7.124 -6.022 -7.736 507 HD23 LEU 548 2HD2 LEU 548 -6.773 -7.709 -8.114 508 H LEU 549 H LEU 549 -3.735 -6.971 -3.754 509 HA LEU 549 HA LEU 549 -2.442 -9.300 -4.630 510 HB2 LEU 549 1HB LEU 549 -1.615 -7.420 -3.076 511 HB3 LEU 549 2HB LEU 549 -2.370 -8.354 -1.787 512 HG LEU 549 HG LEU 549 -0.211 -9.417 -3.605 513 HD11 LEU 549 1HD1 LEU 549 0.321 -7.443 -1.972 514 HD12 LEU 549 2HD1 LEU 549 1.397 -8.837 -2.073 515 HD13 LEU 549 3HD1 LEU 549 0.243 -8.709 -0.745 516 HD21 LEU 549 3HD2 LEU 549 -0.083 -10.951 -1.452 517 HD22 LEU 549 1HD2 LEU 549 -1.186 -11.305 -2.781 518 HD23 LEU 549 2HD2 LEU 549 -1.785 -10.500 -1.331 519 H VAL 550 H VAL 550 -4.936 -8.787 -2.188 520 HA VAL 550 HA VAL 550 -4.927 -11.355 -1.059 521 HB VAL 550 HB VAL 550 -7.247 -9.441 -1.354 522 HG11 VAL 550 1HG1 VAL 550 -6.892 -11.791 0.505 523 HG12 VAL 550 2HG1 VAL 550 -8.246 -10.658 0.513 524 HG13 VAL 550 3HG1 VAL 550 -7.991 -11.717 -0.873 525 HG21 VAL 550 3HG2 VAL 550 -4.910 -9.532 0.413 526 HG22 VAL 550 1HG2 VAL 550 -5.977 -8.187 0.005 527 HG23 VAL 550 2HG2 VAL 550 -6.450 -9.342 1.251 528 H LEU 551 H LEU 551 -7.087 -10.011 -3.562 529 HA LEU 551 HA LEU 551 -8.549 -12.274 -4.133 530 HB2 LEU 551 1HB LEU 551 -7.674 -9.949 -5.796 531 HB3 LEU 551 2HB LEU 551 -8.573 -11.273 -6.533 532 HG LEU 551 HG LEU 551 -10.072 -9.463 -5.981 533 HD11 LEU 551 1HD1 LEU 551 -11.737 -10.714 -4.984 534 HD12 LEU 551 2HD1 LEU 551 -10.620 -11.517 -3.881 535 HD13 LEU 551 3HD1 LEU 551 -10.645 -11.961 -5.587 536 HD21 LEU 551 3HD2 LEU 551 -10.415 -8.737 -3.678 537 HD22 LEU 551 1HD2 LEU 551 -8.755 -8.439 -4.196 538 HD23 LEU 551 2HD2 LEU 551 -9.117 -9.803 -3.141 539 H ALA 552 H ALA 552 -5.393 -11.322 -5.418 540 HA ALA 552 HA ALA 552 -5.100 -13.366 -7.309 541 HB1 ALA 552 1HB ALA 552 -2.667 -12.926 -7.106 542 HB2 ALA 552 2HB ALA 552 -3.631 -11.465 -7.327 543 HB3 ALA 552 3HB ALA 552 -3.009 -11.878 -5.731 544 H GLY 553 H GLY 553 -3.301 -13.236 -4.233 545 HA2 GLY 553 1HA GLY 553 -2.527 -15.887 -4.171 546 HA3 GLY 553 2HA GLY 553 -2.740 -14.890 -2.740 547 H VAL 554 H VAL 554 -5.200 -14.565 -2.213 548 HA VAL 554 HA VAL 554 -6.212 -17.002 -1.352 549 HB VAL 554 HB VAL 554 -7.877 -14.546 -1.900 550 HG11 VAL 554 1HG1 VAL 554 -9.173 -15.400 0.054 551 HG12 VAL 554 2HG1 VAL 554 -9.234 -16.445 -1.369 552 HG13 VAL 554 3HG1 VAL 554 -8.197 -16.867 -0.006 553 HG21 VAL 554 3HG2 VAL 554 -6.495 -13.499 -0.486 554 HG22 VAL 554 1HG2 VAL 554 -7.238 -14.493 0.767 555 HG23 VAL 554 2HG2 VAL 554 -5.726 -15.004 0.016 556 H GLY 555 H GLY 555 -6.457 -15.489 -4.440 557 HA2 GLY 555 1HA GLY 555 -8.833 -16.685 -5.380 558 HA3 GLY 555 2HA GLY 555 -7.521 -16.087 -6.384 559 H PHE 556 H PHE 556 -5.463 -17.625 -6.081 560 HA PHE 556 HA PHE 556 -6.361 -20.197 -7.061 561 HB2 PHE 556 1HB PHE 556 -4.599 -19.339 -8.343 562 HB3 PHE 556 2HB PHE 556 -3.703 -18.804 -6.924 563 HD1 PHE 556 1HD PHE 556 -2.347 -20.349 -5.651 564 HD2 PHE 556 2HD PHE 556 -4.507 -21.634 -9.087 565 HE1 PHE 556 1HE PHE 556 -1.019 -22.418 -5.706 566 HE2 PHE 556 2HE PHE 556 -3.183 -23.706 -9.147 567 HZ PHE 556 HZ PHE 556 -1.436 -24.102 -7.457 568 H PHE 557 H PHE 557 -5.153 -18.850 -4.140 569 HA PHE 557 HA PHE 557 -4.101 -21.263 -3.027 570 HB2 PHE 557 1HB PHE 557 -3.393 -19.014 -2.268 571 HB3 PHE 557 2HB PHE 557 -5.006 -18.744 -1.616 572 HD1 PHE 557 1HD PHE 557 -3.178 -21.939 -1.445 573 HD2 PHE 557 2HD PHE 557 -4.405 -18.444 0.652 574 HE1 PHE 557 1HE PHE 557 -2.488 -22.975 0.678 575 HE2 PHE 557 2HE PHE 557 -3.716 -19.473 2.778 576 HZ PHE 557 HZ PHE 557 -2.755 -21.741 2.793 577 H ILE 558 H ILE 558 -7.189 -20.369 -3.761 578 HA ILE 558 HA ILE 558 -8.313 -22.052 -1.616 579 HB ILE 558 HB ILE 558 -8.992 -19.585 -1.647 580 HG12 ILE 558 1HG1 ILE 558 -11.505 -21.089 -1.905 581 HG13 ILE 558 2HG1 ILE 558 -10.309 -21.857 -0.868 582 HG21 ILE 558 1HG2 ILE 558 -9.448 -20.040 -4.294 583 HG22 ILE 558 2HG2 ILE 558 -11.074 -20.154 -3.623 584 HG23 ILE 558 3HG2 ILE 558 -10.115 -18.695 -3.370 585 HD11 ILE 558 3HD1 ILE 558 -11.515 -20.563 0.607 586 HD12 ILE 558 1HD1 ILE 558 -10.133 -19.532 0.241 587 HD13 ILE 558 2HD1 ILE 558 -11.688 -19.234 -0.537 588 H HIS 559 H HIS 559 -7.672 -21.839 -4.880 589 HA HIS 559 HA HIS 559 -9.645 -23.941 -5.459 590 HB2 HIS 559 1HB HIS 559 -8.959 -21.553 -7.175 591 HB3 HIS 559 2HB HIS 559 -9.778 -22.980 -7.803 592 HD1 HIS 559 1HD HIS 559 -10.547 -19.748 -6.660 593 HD2 HIS 559 2HD HIS 559 -12.222 -23.492 -6.005 594 HE1 HIS 559 1HE HIS 559 -12.893 -19.306 -5.871 595 H ARG 560 H ARG 560 -6.609 -23.603 -4.897 596 HA ARG 560 HA ARG 560 -5.078 -24.230 -7.097 597 HB2 ARG 560 1HB ARG 560 -3.641 -25.536 -5.434 598 HB3 ARG 560 2HB ARG 560 -3.931 -23.838 -5.081 599 HG2 ARG 560 1HG ARG 560 -5.910 -25.633 -3.902 600 HG3 ARG 560 2HG ARG 560 -4.262 -25.905 -3.330 601 HD2 ARG 560 1HD ARG 560 -4.262 -23.279 -3.127 602 HD3 ARG 560 2HD ARG 560 -6.007 -23.509 -3.044 603 HE ARG 560 HE ARG 560 -5.730 -24.237 -0.906 604 HH11 ARG 560 1HH1 ARG 560 -2.730 -24.685 -2.616 605 HH12 ARG 560 2HH1 ARG 560 -1.870 -25.248 -1.221 606 HH21 ARG 560 1HH2 ARG 560 -4.607 -24.976 0.936 607 HH22 ARG 560 2HH2 ARG 560 -2.939 -25.414 0.798 608 H ARG 561 H ARG 561 -7.313 -26.252 -5.347 609 HA ARG 561 HA ARG 561 -6.886 -28.364 -7.337 610 HB2 ARG 561 1HB ARG 561 -7.120 -28.812 -4.356 611 HB3 ARG 561 2HB ARG 561 -7.125 -30.082 -5.569 612 HG2 ARG 561 1HG ARG 561 -4.844 -28.155 -5.248 613 HG3 ARG 561 2HG ARG 561 -4.944 -29.682 -4.370 614 HD2 ARG 561 1HD ARG 561 -5.277 -30.749 -6.687 615 HD3 ARG 561 2HD ARG 561 -4.674 -29.218 -7.322 616 HE ARG 561 HE ARG 561 -2.568 -29.827 -6.672 617 HH11 ARG 561 1HH1 ARG 561 -4.885 -31.822 -5.006 618 HH12 ARG 561 2HH1 ARG 561 -3.685 -32.862 -4.312 619 HH21 ARG 561 1HH2 ARG 561 -0.980 -31.189 -5.766 620 HH22 ARG 561 2HH2 ARG 561 -1.465 -32.501 -4.744 621 H ARG 562 H ARG 562 -8.951 -27.303 -4.636 622 HA ARG 562 HA ARG 562 -11.298 -27.483 -6.300 623 HB2 ARG 562 1HB ARG 562 -10.792 -29.440 -4.076 624 HB3 ARG 562 2HB ARG 562 -12.431 -28.987 -4.524 625 HG2 ARG 562 1HG ARG 562 -11.466 -29.603 -6.946 626 HG3 ARG 562 2HG ARG 562 -10.468 -30.663 -5.947 627 HD2 ARG 562 1HD ARG 562 -12.360 -31.761 -5.055 628 HD3 ARG 562 2HD ARG 562 -13.459 -30.527 -5.672 629 HE ARG 562 HE ARG 562 -12.140 -31.693 -7.844 630 HH11 ARG 562 1HH1 ARG 562 -14.447 -32.545 -5.380 631 HH12 ARG 562 2HH1 ARG 562 -15.237 -33.743 -6.350 632 HH21 ARG 562 1HH2 ARG 562 -13.172 -33.267 -9.131 633 HH22 ARG 562 2HH2 ARG 562 -14.510 -34.154 -8.484 634 H LYS 563 H LYS 563 -13.319 -27.155 -4.725 635 HA LYS 563 HA LYS 563 -14.426 -25.594 -3.487 636 HB2 LYS 563 1HB LYS 563 -12.039 -26.200 -1.754 637 HB3 LYS 563 2HB LYS 563 -13.301 -25.090 -1.233 638 HG2 LYS 563 1HG LYS 563 -14.734 -26.744 -0.770 639 HG3 LYS 563 2HG LYS 563 -14.295 -27.663 -2.212 640 HD2 LYS 563 1HD LYS 563 -12.095 -28.147 -0.931 641 HD3 LYS 563 2HD LYS 563 -13.012 -27.659 0.496 642 HE2 LYS 563 1HE LYS 563 -14.711 -29.355 -0.045 643 HE3 LYS 563 2HE LYS 563 -13.748 -29.861 -1.432 644 HZ1 LYS 563 3HZ LYS 563 -11.955 -30.018 0.546 645 HZ2 LYS 563 1HZ LYS 563 -12.905 -31.318 0.028 646 HZ3 LYS 563 2HZ LYS 563 -13.371 -30.420 1.383 Start of MODEL 6 1 H1 GLU 523 H GLU 523 -0.513 -1.448 -16.070 2 HA GLU 523 HA GLU 523 -0.763 1.235 -16.985 3 HB2 GLU 523 1HB GLU 523 -3.170 0.472 -16.888 4 HB3 GLU 523 2HB GLU 523 -2.967 0.293 -15.151 5 HG2 GLU 523 1HG GLU 523 -2.214 2.754 -15.205 6 HG3 GLU 523 2HG GLU 523 -2.972 2.788 -16.796 7 H PHE 524 H PHE 524 1.330 1.048 -15.929 8 HA PHE 524 HA PHE 524 1.135 1.236 -12.995 9 HB2 PHE 524 1HB PHE 524 2.630 -0.562 -14.385 10 HB3 PHE 524 2HB PHE 524 3.794 0.742 -14.174 11 HD1 PHE 524 2HD PHE 524 1.348 -1.284 -12.230 12 HD2 PHE 524 1HD PHE 524 5.041 0.831 -12.243 13 HE1 PHE 524 2HE PHE 524 1.797 -2.063 -9.939 14 HE2 PHE 524 1HE PHE 524 5.497 0.055 -9.951 15 HZ PHE 524 HZ PHE 524 3.873 -1.393 -8.797 16 H GLN 525 H GLN 525 1.523 3.169 -12.152 17 HA GLN 525 HA GLN 525 3.357 4.991 -13.536 18 HB2 GLN 525 1HB GLN 525 0.728 5.899 -12.367 19 HB3 GLN 525 2HB GLN 525 1.872 6.858 -13.298 20 HG2 GLN 525 1HG GLN 525 1.268 4.766 -14.986 21 HG3 GLN 525 2HG GLN 525 -0.267 5.118 -14.195 22 HE21 GLN 525 2HE2 GLN 525 0.929 5.592 -16.958 23 HE22 GLN 525 1HE2 GLN 525 0.566 7.251 -17.281 24 H THR 526 H THR 526 4.652 6.182 -12.224 25 HA THR 526 HA THR 526 4.074 6.399 -9.386 26 HB THR 526 HB THR 526 6.413 5.558 -8.825 27 HG1 THR 526 1HG THR 526 7.475 5.215 -10.664 28 HG21 THR 526 3HG2 THR 526 5.672 3.326 -8.525 29 HG22 THR 526 1HG2 THR 526 4.576 3.427 -9.902 30 HG23 THR 526 2HG2 THR 526 4.228 4.334 -8.430 31 H LEU 527 H LEU 527 4.452 8.452 -8.903 32 HA LEU 527 HA LEU 527 6.462 9.937 -10.434 33 HB2 LEU 527 1HB LEU 527 4.196 10.839 -8.669 34 HB3 LEU 527 2HB LEU 527 5.381 11.937 -9.375 35 HG LEU 527 HG LEU 527 4.222 10.322 -11.440 36 HD11 LEU 527 1HD1 LEU 527 1.913 11.341 -11.247 37 HD12 LEU 527 2HD1 LEU 527 2.302 11.668 -9.559 38 HD13 LEU 527 3HD1 LEU 527 2.272 10.007 -10.151 39 HD21 LEU 527 3HD2 LEU 527 3.899 13.265 -10.887 40 HD22 LEU 527 1HD2 LEU 527 3.787 12.441 -12.442 41 HD23 LEU 527 2HD2 LEU 527 5.340 12.553 -11.615 42 H SER 528 H SER 528 7.459 11.800 -9.024 43 HA SER 528 HA SER 528 8.975 10.476 -6.957 44 HB2 SER 528 1HB SER 528 9.114 13.328 -7.969 45 HB3 SER 528 2HB SER 528 10.279 12.566 -6.886 46 HG SER 528 HG SER 528 10.600 12.614 -9.348 47 HA PRO 529 HA PRO 529 6.766 11.885 -3.435 48 HB2 PRO 529 1HB PRO 529 8.786 12.139 -1.638 49 HB3 PRO 529 2HB PRO 529 8.176 10.572 -2.183 50 HG2 PRO 529 1HG PRO 529 10.598 12.082 -3.088 51 HG3 PRO 529 2HG PRO 529 10.422 10.352 -2.744 52 HD2 PRO 529 1HD PRO 529 10.395 11.347 -5.262 53 HD3 PRO 529 2HD PRO 529 9.458 9.914 -4.792 54 H GLU 530 H GLU 530 6.000 13.796 -2.760 55 HA GLU 530 HA GLU 530 7.781 16.109 -2.614 56 HB2 GLU 530 1HB GLU 530 5.900 17.462 -3.746 57 HB3 GLU 530 2HB GLU 530 6.963 16.501 -4.765 58 HG2 GLU 530 1HG GLU 530 5.299 14.772 -4.956 59 HG3 GLU 530 2HG GLU 530 4.247 15.615 -3.821 60 H GLY 531 H GLY 531 7.590 16.650 -0.535 61 HA2 GLY 531 1HA GLY 531 6.530 17.671 1.272 62 HA3 GLY 531 2HA GLY 531 4.984 17.422 0.474 63 H SER 532 H SER 532 6.121 16.844 3.255 64 HA SER 532 HA SER 532 4.972 14.155 3.443 65 HB2 SER 532 1HB SER 532 7.624 15.019 4.610 66 HB3 SER 532 2HB SER 532 6.763 13.570 5.127 67 HG SER 532 HG SER 532 7.101 12.654 3.184 68 H GLY 533 H GLY 533 3.104 15.122 4.301 69 HA2 GLY 533 1HA GLY 533 3.460 16.386 6.947 70 HA3 GLY 533 2HA GLY 533 2.098 16.689 5.876 71 H ASN 534 H ASN 534 0.287 15.808 6.590 72 HA ASN 534 HA ASN 534 0.386 13.540 8.405 73 HB2 ASN 534 1HB ASN 534 -1.949 15.210 7.445 74 HB3 ASN 534 2HB ASN 534 -2.042 13.952 8.672 75 HD21 ASN 534 2HD2 ASN 534 -0.815 14.258 10.631 76 HD22 ASN 534 1HD2 ASN 534 -0.518 15.860 11.207 77 H LEU 535 H LEU 535 -0.254 14.194 5.091 78 HA LEU 535 HA LEU 535 -1.861 11.871 4.592 79 HB2 LEU 535 1HB LEU 535 -0.363 13.717 2.742 80 HB3 LEU 535 2HB LEU 535 -1.412 12.410 2.201 81 HG LEU 535 HG LEU 535 -2.696 14.360 1.996 82 HD11 LEU 535 1HD1 LEU 535 -4.509 14.048 3.542 83 HD12 LEU 535 2HD1 LEU 535 -3.450 13.214 4.681 84 HD13 LEU 535 3HD1 LEU 535 -3.833 12.471 3.128 85 HD21 LEU 535 3HD2 LEU 535 -2.631 16.192 3.342 86 HD22 LEU 535 1HD2 LEU 535 -1.028 15.544 3.694 87 HD23 LEU 535 2HD2 LEU 535 -2.364 15.246 4.807 88 H ALA 536 H ALA 536 1.486 12.488 4.929 89 HA ALA 536 HA ALA 536 2.540 10.463 3.270 90 HB1 ALA 536 1HB ALA 536 4.598 10.854 4.315 91 HB2 ALA 536 2HB ALA 536 3.766 12.408 4.384 92 HB3 ALA 536 3HB ALA 536 3.836 11.381 5.816 93 H VAL 537 H VAL 537 1.332 10.457 6.571 94 HA VAL 537 HA VAL 537 2.301 8.017 7.468 95 HB VAL 537 HB VAL 537 -0.448 9.107 8.079 96 HG11 VAL 537 1HG1 VAL 537 -0.260 6.939 8.974 97 HG12 VAL 537 2HG1 VAL 537 1.407 7.205 9.486 98 HG13 VAL 537 3HG1 VAL 537 0.086 8.026 10.318 99 HG21 VAL 537 3HG2 VAL 537 0.801 10.137 10.066 100 HG22 VAL 537 1HG2 VAL 537 2.259 9.901 9.102 101 HG23 VAL 537 2HG2 VAL 537 0.959 10.928 8.498 102 H ILE 538 H ILE 538 -0.110 8.689 5.094 103 HA ILE 538 HA ILE 538 -1.613 6.328 5.181 104 HB ILE 538 HB ILE 538 -0.927 7.924 2.712 105 HG12 ILE 538 1HG1 ILE 538 -3.288 8.269 4.569 106 HG13 ILE 538 2HG1 ILE 538 -1.853 9.288 4.604 107 HG21 ILE 538 1HG2 ILE 538 -1.937 5.976 1.958 108 HG22 ILE 538 2HG2 ILE 538 -3.006 5.871 3.355 109 HG23 ILE 538 3HG2 ILE 538 -3.297 7.088 2.112 110 HD11 ILE 538 3HD1 ILE 538 -3.196 10.567 3.304 111 HD12 ILE 538 1HD1 ILE 538 -2.450 9.581 2.047 112 HD13 ILE 538 2HD1 ILE 538 -4.064 9.184 2.640 113 H GLY 539 H GLY 539 1.079 7.125 2.968 114 HA2 GLY 539 1HA GLY 539 1.323 4.565 1.857 115 HA3 GLY 539 2HA GLY 539 2.592 5.781 1.889 116 H GLY 540 H GLY 540 2.973 6.010 4.649 117 HA2 GLY 540 1HA GLY 540 4.844 4.051 5.172 118 HA3 GLY 540 2HA GLY 540 4.059 5.018 6.414 119 H VAL 541 H VAL 541 1.498 4.170 6.393 120 HA VAL 541 HA VAL 541 1.719 1.601 7.652 121 HB VAL 541 HB VAL 541 -0.760 3.220 7.050 122 HG11 VAL 541 1HG1 VAL 541 -0.363 0.596 8.173 123 HG12 VAL 541 2HG1 VAL 541 -1.132 1.672 9.340 124 HG13 VAL 541 3HG1 VAL 541 -1.862 1.422 7.755 125 HG21 VAL 541 3HG2 VAL 541 -0.592 4.072 9.293 126 HG22 VAL 541 1HG2 VAL 541 0.826 3.073 9.608 127 HG23 VAL 541 2HG2 VAL 541 0.922 4.398 8.450 128 H ALA 542 H ALA 542 -0.167 2.814 4.877 129 HA ALA 542 HA ALA 542 -1.309 0.459 4.035 130 HB1 ALA 542 1HB ALA 542 -1.842 1.542 2.096 131 HB2 ALA 542 2HB ALA 542 -1.421 2.925 3.105 132 HB3 ALA 542 3HB ALA 542 -0.253 2.291 1.945 133 H VAL 543 H VAL 543 1.705 1.818 2.680 134 HA VAL 543 HA VAL 543 2.434 -0.391 1.163 135 HB VAL 543 HB VAL 543 4.239 1.617 2.519 136 HG11 VAL 543 1HG1 VAL 543 5.954 0.404 1.801 137 HG12 VAL 543 2HG1 VAL 543 4.863 -0.763 1.052 138 HG13 VAL 543 3HG1 VAL 543 5.396 0.654 0.147 139 HG21 VAL 543 3HG2 VAL 543 2.649 2.668 1.026 140 HG22 VAL 543 1HG2 VAL 543 4.258 2.699 0.303 141 HG23 VAL 543 2HG2 VAL 543 3.061 1.530 -0.257 142 H GLY 544 H GLY 544 3.422 0.437 4.486 143 HA2 GLY 544 1HA GLY 544 5.124 -1.680 4.995 144 HA3 GLY 544 2HA GLY 544 4.128 -0.901 6.215 145 H VAL 545 H VAL 545 1.601 -1.642 5.066 146 HA VAL 545 HA VAL 545 1.293 -4.194 6.266 147 HB VAL 545 HB VAL 545 -0.622 -2.656 4.506 148 HG11 VAL 545 1HG1 VAL 545 -1.294 -4.944 4.517 149 HG12 VAL 545 2HG1 VAL 545 -1.027 -5.075 6.256 150 HG13 VAL 545 3HG1 VAL 545 -2.346 -4.080 5.637 151 HG21 VAL 545 3HG2 VAL 545 0.317 -1.994 7.009 152 HG22 VAL 545 1HG2 VAL 545 -1.187 -1.428 6.285 153 HG23 VAL 545 2HG2 VAL 545 -1.198 -2.827 7.355 154 H VAL 546 H VAL 546 1.485 -3.082 2.924 155 HA VAL 546 HA VAL 546 0.761 -5.463 1.642 156 HB VAL 546 HB VAL 546 2.800 -3.497 0.605 157 HG11 VAL 546 1HG1 VAL 546 1.732 -4.156 -1.586 158 HG12 VAL 546 2HG1 VAL 546 2.687 -5.409 -0.789 159 HG13 VAL 546 3HG1 VAL 546 0.925 -5.452 -0.703 160 HG21 VAL 546 3HG2 VAL 546 0.288 -2.879 -0.460 161 HG22 VAL 546 1HG2 VAL 546 0.037 -3.066 1.276 162 HG23 VAL 546 2HG2 VAL 546 1.235 -1.918 0.676 163 H LEU 547 H LEU 547 3.970 -4.265 2.597 164 HA LEU 547 HA LEU 547 5.469 -6.403 1.594 165 HB2 LEU 547 1HB LEU 547 6.090 -4.777 4.052 166 HB3 LEU 547 2HB LEU 547 7.237 -5.662 3.049 167 HG LEU 547 HG LEU 547 5.628 -3.404 1.907 168 HD11 LEU 547 1HD1 LEU 547 8.346 -2.769 2.804 169 HD12 LEU 547 2HD1 LEU 547 7.175 -3.000 4.102 170 HD13 LEU 547 3HD1 LEU 547 6.874 -1.797 2.848 171 HD21 LEU 547 3HD2 LEU 547 6.775 -4.742 0.300 172 HD22 LEU 547 1HD2 LEU 547 8.263 -4.708 1.246 173 HD23 LEU 547 2HD2 LEU 547 7.674 -3.235 0.477 174 H LEU 548 H LEU 548 4.051 -5.903 4.812 175 HA LEU 548 HA LEU 548 5.027 -8.212 6.036 176 HB2 LEU 548 1HB LEU 548 3.755 -6.210 7.032 177 HB3 LEU 548 2HB LEU 548 2.298 -7.102 6.598 178 HG LEU 548 HG LEU 548 2.945 -7.360 8.971 179 HD11 LEU 548 1HD1 LEU 548 1.984 -9.237 7.258 180 HD12 LEU 548 2HD1 LEU 548 2.100 -9.435 9.005 181 HD13 LEU 548 3HD1 LEU 548 3.366 -10.078 7.959 182 HD21 LEU 548 3HD2 LEU 548 5.470 -7.372 8.246 183 HD22 LEU 548 1HD2 LEU 548 5.208 -9.114 8.152 184 HD23 LEU 548 2HD2 LEU 548 4.932 -8.261 9.670 185 H LEU 549 H LEU 549 2.163 -7.708 4.038 186 HA LEU 549 HA LEU 549 0.981 -10.229 4.438 187 HB2 LEU 549 1HB LEU 549 0.034 -8.101 3.335 188 HB3 LEU 549 2HB LEU 549 0.790 -8.709 1.863 189 HG LEU 549 HG LEU 549 -1.286 -10.207 3.459 190 HD11 LEU 549 1HD1 LEU 549 -1.894 -7.975 2.207 191 HD12 LEU 549 2HD1 LEU 549 -2.939 -9.392 2.108 192 HD13 LEU 549 3HD1 LEU 549 -1.830 -9.019 0.787 193 HD21 LEU 549 3HD2 LEU 549 0.272 -10.760 0.984 194 HD22 LEU 549 1HD2 LEU 549 -1.394 -11.332 1.083 195 HD23 LEU 549 2HD2 LEU 549 -0.212 -11.851 2.284 196 H VAL 550 H VAL 550 3.354 -9.076 2.088 197 HA VAL 550 HA VAL 550 3.446 -11.308 0.419 198 HB VAL 550 HB VAL 550 5.724 -9.476 1.185 199 HG11 VAL 550 1HG1 VAL 550 5.409 -11.306 -1.193 200 HG12 VAL 550 2HG1 VAL 550 6.737 -10.175 -0.930 201 HG13 VAL 550 3HG1 VAL 550 6.514 -11.545 0.160 202 HG21 VAL 550 3HG2 VAL 550 4.827 -7.915 -0.126 203 HG22 VAL 550 1HG2 VAL 550 4.554 -9.074 -1.428 204 HG23 VAL 550 2HG2 VAL 550 3.354 -8.884 -0.149 205 H LEU 551 H LEU 551 5.665 -10.546 3.111 206 HA LEU 551 HA LEU 551 7.098 -12.901 3.135 207 HB2 LEU 551 1HB LEU 551 6.348 -10.959 5.281 208 HB3 LEU 551 2HB LEU 551 7.250 -12.419 5.683 209 HG LEU 551 HG LEU 551 8.758 -10.546 5.449 210 HD11 LEU 551 1HD1 LEU 551 9.346 -11.946 2.926 211 HD12 LEU 551 2HD1 LEU 551 9.108 -12.973 4.338 212 HD13 LEU 551 3HD1 LEU 551 10.344 -11.716 4.361 213 HD21 LEU 551 3HD2 LEU 551 7.693 -10.290 2.639 214 HD22 LEU 551 1HD2 LEU 551 9.016 -9.359 3.340 215 HD23 LEU 551 2HD2 LEU 551 7.379 -9.170 3.966 216 H ALA 552 H ALA 552 3.960 -12.209 4.573 217 HA ALA 552 HA ALA 552 3.636 -14.464 6.160 218 HB1 ALA 552 1HB ALA 552 2.114 -12.467 6.022 219 HB2 ALA 552 2HB ALA 552 1.426 -13.189 4.566 220 HB3 ALA 552 3HB ALA 552 1.304 -14.031 6.110 221 H GLY 553 H GLY 553 2.162 -14.076 2.931 222 HA2 GLY 553 1HA GLY 553 1.613 -16.828 2.620 223 HA3 GLY 553 2HA GLY 553 1.614 -15.631 1.333 224 H VAL 554 H VAL 554 4.124 -14.825 1.069 225 HA VAL 554 HA VAL 554 5.391 -16.810 -0.376 226 HB VAL 554 HB VAL 554 6.688 -14.443 0.980 227 HG11 VAL 554 1HG1 VAL 554 7.642 -16.189 -1.286 228 HG12 VAL 554 2HG1 VAL 554 8.404 -14.676 -0.789 229 HG13 VAL 554 3HG1 VAL 554 8.361 -16.050 0.318 230 HG21 VAL 554 3HG2 VAL 554 6.369 -13.289 -1.129 231 HG22 VAL 554 1HG2 VAL 554 5.610 -14.721 -1.823 232 HG23 VAL 554 2HG2 VAL 554 4.816 -13.851 -0.509 233 H GLY 555 H GLY 555 5.370 -16.295 3.033 234 HA2 GLY 555 1HA GLY 555 7.783 -17.765 3.582 235 HA3 GLY 555 2HA GLY 555 6.590 -17.236 4.759 236 H PHE 556 H PHE 556 4.436 -18.464 4.584 237 HA PHE 556 HA PHE 556 4.942 -21.179 5.120 238 HB2 PHE 556 1HB PHE 556 3.056 -20.095 6.148 239 HB3 PHE 556 2HB PHE 556 2.358 -19.709 4.578 240 HD1 PHE 556 2HD PHE 556 1.347 -21.471 3.204 241 HD2 PHE 556 1HD PHE 556 2.792 -22.249 7.131 242 HE1 PHE 556 2HE PHE 556 0.066 -23.572 3.256 243 HE2 PHE 556 1HE PHE 556 1.514 -24.351 7.188 244 HZ PHE 556 HZ PHE 556 0.149 -25.015 5.250 245 H PHE 557 H PHE 557 3.592 -19.549 2.283 246 HA PHE 557 HA PHE 557 2.871 -21.812 0.815 247 HB2 PHE 557 1HB PHE 557 2.210 -19.516 0.206 248 HB3 PHE 557 2HB PHE 557 3.877 -19.160 -0.235 249 HD1 PHE 557 1HD PHE 557 2.187 -22.350 -0.946 250 HD2 PHE 557 2HD PHE 557 3.479 -18.607 -2.508 251 HE1 PHE 557 1HE PHE 557 1.752 -23.155 -3.230 252 HE2 PHE 557 2HE PHE 557 3.044 -19.406 -4.794 253 HZ PHE 557 HZ PHE 557 2.179 -21.683 -5.157 254 H ILE 558 H ILE 558 5.963 -20.576 1.601 255 HA ILE 558 HA ILE 558 7.260 -22.116 -0.528 256 HB ILE 558 HB ILE 558 8.221 -19.950 1.310 257 HG12 ILE 558 1HG1 ILE 558 7.209 -19.381 -0.885 258 HG13 ILE 558 2HG1 ILE 558 8.895 -18.887 -0.768 259 HG21 ILE 558 1HG2 ILE 558 10.492 -20.446 0.107 260 HG22 ILE 558 2HG2 ILE 558 10.045 -21.320 1.571 261 HG23 ILE 558 3HG2 ILE 558 9.838 -22.079 -0.006 262 HD11 ILE 558 3HD1 ILE 558 9.434 -20.093 -2.540 263 HD12 ILE 558 1HD1 ILE 558 8.681 -21.537 -1.862 264 HD13 ILE 558 2HD1 ILE 558 7.713 -20.386 -2.785 265 H HIS 559 H HIS 559 6.804 -22.001 2.927 266 HA HIS 559 HA HIS 559 8.786 -24.056 3.435 267 HB2 HIS 559 1HB HIS 559 6.808 -22.648 5.235 268 HB3 HIS 559 2HB HIS 559 7.929 -23.885 5.795 269 HD1 HIS 559 1HD HIS 559 7.908 -20.854 6.728 270 HD2 HIS 559 2HD HIS 559 10.474 -22.541 3.930 271 HE1 HIS 559 1HE HIS 559 9.938 -19.370 6.698 272 H ARG 560 H ARG 560 5.573 -23.945 2.444 273 HA ARG 560 HA ARG 560 4.582 -26.264 3.773 274 HB2 ARG 560 1HB ARG 560 2.664 -26.044 2.429 275 HB3 ARG 560 2HB ARG 560 3.225 -24.395 2.678 276 HG2 ARG 560 1HG ARG 560 3.127 -24.134 0.480 277 HG3 ARG 560 2HG ARG 560 4.511 -25.222 0.361 278 HD2 ARG 560 1HD ARG 560 2.752 -27.105 0.444 279 HD3 ARG 560 2HD ARG 560 1.595 -25.836 0.050 280 HE ARG 560 HE ARG 560 3.497 -25.520 -1.835 281 HH11 ARG 560 1HH1 ARG 560 1.689 -28.281 -0.727 282 HH12 ARG 560 2HH1 ARG 560 1.717 -29.080 -2.263 283 HH21 ARG 560 1HH2 ARG 560 3.542 -26.563 -3.864 284 HH22 ARG 560 2HH2 ARG 560 2.773 -28.103 -4.046 285 H ARG 561 H ARG 561 6.681 -25.771 1.129 286 HA ARG 561 HA ARG 561 6.528 -28.635 0.474 287 HB2 ARG 561 1HB ARG 561 6.914 -28.162 -1.861 288 HB3 ARG 561 2HB ARG 561 5.505 -27.260 -1.322 289 HG2 ARG 561 1HG ARG 561 7.916 -25.704 -1.017 290 HG3 ARG 561 2HG ARG 561 7.711 -26.266 -2.678 291 HD2 ARG 561 1HD ARG 561 5.323 -25.422 -2.512 292 HD3 ARG 561 2HD ARG 561 5.818 -24.617 -1.023 293 HE ARG 561 HE ARG 561 6.915 -23.048 -2.277 294 HH11 ARG 561 1HH1 ARG 561 6.188 -25.804 -4.277 295 HH12 ARG 561 2HH1 ARG 561 6.687 -25.034 -5.746 296 HH21 ARG 561 1HH2 ARG 561 7.575 -22.023 -4.206 297 HH22 ARG 561 2HH2 ARG 561 7.477 -22.884 -5.705 298 H ARG 562 H ARG 562 8.254 -27.487 2.371 299 HA ARG 562 HA ARG 562 10.754 -26.691 1.540 300 HB2 ARG 562 1HB ARG 562 11.605 -27.742 3.642 301 HB3 ARG 562 2HB ARG 562 10.204 -26.704 3.874 302 HG2 ARG 562 1HG ARG 562 9.377 -29.417 3.398 303 HG3 ARG 562 2HG ARG 562 10.530 -29.336 4.733 304 HD2 ARG 562 1HD ARG 562 9.004 -27.280 5.425 305 HD3 ARG 562 2HD ARG 562 7.806 -28.175 4.490 306 HE ARG 562 HE ARG 562 8.812 -30.065 6.126 307 HH11 ARG 562 1HH1 ARG 562 7.568 -26.865 6.697 308 HH12 ARG 562 2HH1 ARG 562 6.982 -27.232 8.285 309 HH21 ARG 562 1HH2 ARG 562 8.047 -30.563 8.216 310 HH22 ARG 562 2HH2 ARG 562 7.257 -29.337 9.150 311 H LYS 563 H LYS 563 9.338 -29.884 1.468 312 HA LYS 563 HA LYS 563 11.873 -31.045 0.566 313 HB2 LYS 563 1HB LYS 563 9.263 -32.386 1.298 314 HB3 LYS 563 2HB LYS 563 10.746 -33.219 0.848 315 HG2 LYS 563 1HG LYS 563 10.556 -31.367 3.207 316 HG3 LYS 563 2HG LYS 563 10.255 -33.104 3.308 317 HD2 LYS 563 1HD LYS 563 12.581 -33.299 2.153 318 HD3 LYS 563 2HD LYS 563 12.808 -31.649 2.740 319 HE2 LYS 563 1HE LYS 563 13.344 -32.446 4.740 320 HE3 LYS 563 2HE LYS 563 11.742 -33.170 4.874 321 HZ1 LYS 563 3HZ LYS 563 13.860 -34.547 3.360 322 HZ2 LYS 563 1HZ LYS 563 12.501 -35.198 4.129 323 HZ3 LYS 563 2HZ LYS 563 13.817 -34.664 5.047 324 H1 GLU 523 H GLU 523 -33.307 21.572 1.024 325 HA GLU 523 HA GLU 523 -31.342 21.157 3.069 326 HB2 GLU 523 1HB GLU 523 -31.887 18.929 1.100 327 HB3 GLU 523 2HB GLU 523 -30.483 19.016 2.155 328 HG2 GLU 523 1HG GLU 523 -32.221 19.155 4.061 329 HG3 GLU 523 2HG GLU 523 -33.341 18.519 2.858 330 H PHE 524 H PHE 524 -29.606 22.258 2.461 331 HA PHE 524 HA PHE 524 -29.057 22.537 -0.421 332 HB2 PHE 524 1HB PHE 524 -28.038 24.782 0.226 333 HB3 PHE 524 2HB PHE 524 -29.795 24.674 0.281 334 HD1 PHE 524 1HD PHE 524 -30.979 24.664 2.403 335 HD2 PHE 524 2HD PHE 524 -26.741 25.035 2.234 336 HE1 PHE 524 1HE PHE 524 -30.954 25.430 4.742 337 HE2 PHE 524 2HE PHE 524 -26.710 25.799 4.572 338 HZ PHE 524 HZ PHE 524 -28.819 25.997 5.828 339 H GLN 525 H GLN 525 -27.061 22.031 -1.094 340 HA GLN 525 HA GLN 525 -24.965 21.663 0.941 341 HB2 GLN 525 1HB GLN 525 -25.632 19.868 -1.393 342 HB3 GLN 525 2HB GLN 525 -24.141 19.747 -0.470 343 HG2 GLN 525 1HG GLN 525 -26.700 19.677 1.025 344 HG3 GLN 525 2HG GLN 525 -26.262 18.262 0.066 345 HE21 GLN 525 2HE2 GLN 525 -25.422 20.265 2.780 346 HE22 GLN 525 1HE2 GLN 525 -24.290 19.172 3.496 347 H THR 526 H THR 526 -23.056 22.587 0.513 348 HA THR 526 HA THR 526 -22.299 23.230 -2.220 349 HB THR 526 HB THR 526 -21.726 25.617 -1.479 350 HG1 THR 526 1HG THR 526 -23.861 25.306 0.340 351 HG21 THR 526 3HG2 THR 526 -24.688 25.239 -1.557 352 HG22 THR 526 1HG2 THR 526 -23.721 24.728 -2.940 353 HG23 THR 526 2HG2 THR 526 -23.681 26.409 -2.410 354 H LEU 527 H LEU 527 -20.793 21.507 -1.431 355 HA LEU 527 HA LEU 527 -18.583 22.677 0.127 356 HB2 LEU 527 1HB LEU 527 -17.942 20.276 0.556 357 HB3 LEU 527 2HB LEU 527 -19.409 20.847 1.349 358 HG LEU 527 HG LEU 527 -19.724 19.452 -1.251 359 HD11 LEU 527 1HD1 LEU 527 -19.724 17.553 0.914 360 HD12 LEU 527 2HD1 LEU 527 -18.137 18.298 0.731 361 HD13 LEU 527 3HD1 LEU 527 -18.893 17.487 -0.640 362 HD21 LEU 527 3HD2 LEU 527 -21.445 20.436 0.587 363 HD22 LEU 527 1HD2 LEU 527 -21.312 18.762 1.129 364 HD23 LEU 527 2HD2 LEU 527 -21.827 19.115 -0.521 365 H SER 528 H SER 528 -16.832 23.140 -1.011 366 HA SER 528 HA SER 528 -16.454 21.886 -3.628 367 HB2 SER 528 1HB SER 528 -14.697 23.700 -3.892 368 HB3 SER 528 2HB SER 528 -16.358 24.268 -3.735 369 HG SER 528 HG SER 528 -15.947 24.975 -1.726 370 HA PRO 529 HA PRO 529 -13.058 19.390 -2.408 371 HB2 PRO 529 1HB PRO 529 -11.472 19.511 -4.607 372 HB3 PRO 529 2HB PRO 529 -12.994 18.615 -4.569 373 HG2 PRO 529 1HG PRO 529 -12.428 21.341 -5.667 374 HG3 PRO 529 2HG PRO 529 -13.405 20.036 -6.364 375 HD2 PRO 529 1HD PRO 529 -14.505 22.146 -5.073 376 HD3 PRO 529 2HD PRO 529 -15.230 20.526 -5.045 377 H GLU 530 H GLU 530 -10.627 19.362 -2.232 378 HA GLU 530 HA GLU 530 -9.485 22.056 -1.995 379 HB2 GLU 530 1HB GLU 530 -9.417 19.913 0.136 380 HB3 GLU 530 2HB GLU 530 -8.448 21.379 0.173 381 HG2 GLU 530 1HG GLU 530 -11.286 21.893 -0.219 382 HG3 GLU 530 2HG GLU 530 -10.927 21.057 1.291 383 H GLY 531 H GLY 531 -7.969 21.943 -3.552 384 HA2 GLY 531 1HA GLY 531 -5.976 21.370 -4.545 385 HA3 GLY 531 2HA GLY 531 -5.632 20.393 -3.124 386 H SER 532 H SER 532 -4.779 19.473 -5.506 387 HA SER 532 HA SER 532 -6.735 17.680 -6.655 388 HB2 SER 532 1HB SER 532 -5.025 17.081 -8.229 389 HB3 SER 532 2HB SER 532 -4.935 18.826 -7.999 390 HG SER 532 HG SER 532 -3.028 18.616 -7.114 391 H GLY 533 H GLY 533 -4.245 17.578 -4.253 392 HA2 GLY 533 1HA GLY 533 -3.938 15.919 -2.644 393 HA3 GLY 533 2HA GLY 533 -5.014 14.872 -3.555 394 H ASN 534 H ASN 534 -1.729 16.091 -3.306 395 HA ASN 534 HA ASN 534 -0.747 14.283 -5.340 396 HB2 ASN 534 1HB ASN 534 0.645 16.203 -3.465 397 HB3 ASN 534 2HB ASN 534 1.499 15.189 -4.627 398 HD21 ASN 534 2HD2 ASN 534 -0.957 17.694 -4.327 399 HD22 ASN 534 1HD2 ASN 534 -0.695 18.391 -5.886 400 H LEU 535 H LEU 535 -0.967 14.423 -1.860 401 HA LEU 535 HA LEU 535 0.723 12.069 -1.542 402 HB2 LEU 535 1HB LEU 535 -0.711 13.799 0.465 403 HB3 LEU 535 2HB LEU 535 0.289 12.409 0.881 404 HG LEU 535 HG LEU 535 1.647 14.277 1.270 405 HD11 LEU 535 1HD1 LEU 535 2.731 12.486 -0.038 406 HD12 LEU 535 2HD1 LEU 535 3.438 14.075 -0.332 407 HD13 LEU 535 3HD1 LEU 535 2.343 13.364 -1.518 408 HD21 LEU 535 3HD2 LEU 535 0.091 15.801 -0.076 409 HD22 LEU 535 1HD2 LEU 535 1.103 15.392 -1.462 410 HD23 LEU 535 2HD2 LEU 535 1.812 16.193 -0.059 411 H ALA 536 H ALA 536 -2.587 12.896 -1.834 412 HA ALA 536 HA ALA 536 -3.760 10.777 -0.385 413 HB1 ALA 536 1HB ALA 536 -4.891 12.872 -1.265 414 HB2 ALA 536 2HB ALA 536 -4.968 12.050 -2.824 415 HB3 ALA 536 3HB ALA 536 -5.789 11.362 -1.424 416 H VAL 537 H VAL 537 -2.569 11.046 -3.686 417 HA VAL 537 HA VAL 537 -3.653 8.748 -4.802 418 HB VAL 537 HB VAL 537 -0.870 9.782 -5.348 419 HG11 VAL 537 1HG1 VAL 537 -2.818 8.119 -6.923 420 HG12 VAL 537 2HG1 VAL 537 -1.438 8.933 -7.662 421 HG13 VAL 537 3HG1 VAL 537 -1.179 7.702 -6.427 422 HG21 VAL 537 3HG2 VAL 537 -3.492 10.971 -5.855 423 HG22 VAL 537 1HG2 VAL 537 -1.888 11.703 -5.884 424 HG23 VAL 537 2HG2 VAL 537 -2.484 10.829 -7.295 425 H ILE 538 H ILE 538 -1.181 9.085 -2.418 426 HA ILE 538 HA ILE 538 0.228 6.695 -2.753 427 HB ILE 538 HB ILE 538 -0.403 8.046 -0.126 428 HG12 ILE 538 1HG1 ILE 538 1.970 8.495 -1.947 429 HG13 ILE 538 2HG1 ILE 538 0.576 9.565 -1.866 430 HG21 ILE 538 1HG2 ILE 538 0.536 6.001 0.427 431 HG22 ILE 538 2HG2 ILE 538 1.591 5.989 -0.986 432 HG23 ILE 538 3HG2 ILE 538 1.942 7.064 0.369 433 HD11 ILE 538 3HD1 ILE 538 1.183 9.564 0.704 434 HD12 ILE 538 1HD1 ILE 538 2.780 9.164 0.070 435 HD13 ILE 538 2HD1 ILE 538 1.973 10.645 -0.444 436 H GLY 539 H GLY 539 -2.425 7.338 -0.445 437 HA2 GLY 539 1HA GLY 539 -2.755 4.669 0.361 438 HA3 GLY 539 2HA GLY 539 -3.967 5.932 0.509 439 H GLY 540 H GLY 540 -4.356 6.510 -2.212 440 HA2 GLY 540 1HA GLY 540 -6.335 4.720 -2.927 441 HA3 GLY 540 2HA GLY 540 -5.520 5.791 -4.057 442 H VAL 541 H VAL 541 -3.005 4.827 -4.187 443 HA VAL 541 HA VAL 541 -3.371 2.432 -5.728 444 HB VAL 541 HB VAL 541 -0.793 3.836 -5.019 445 HG11 VAL 541 1HG1 VAL 541 -1.502 1.575 -6.808 446 HG12 VAL 541 2HG1 VAL 541 -0.274 2.713 -7.363 447 HG13 VAL 541 3HG1 VAL 541 -0.051 1.845 -5.844 448 HG21 VAL 541 3HG2 VAL 541 -2.599 4.180 -7.412 449 HG22 VAL 541 1HG2 VAL 541 -2.308 5.366 -6.141 450 HG23 VAL 541 2HG2 VAL 541 -1.000 4.902 -7.230 451 H ALA 542 H ALA 542 -1.394 3.251 -2.876 452 HA ALA 542 HA ALA 542 -0.314 0.782 -2.335 453 HB1 ALA 542 1HB ALA 542 -1.295 2.453 -0.063 454 HB2 ALA 542 2HB ALA 542 0.231 1.586 -0.246 455 HB3 ALA 542 3HB ALA 542 -0.045 3.084 -1.136 456 H VAL 543 H VAL 543 -3.301 2.065 -0.854 457 HA VAL 543 HA VAL 543 -4.069 -0.281 0.439 458 HB VAL 543 HB VAL 543 -5.822 1.921 -0.658 459 HG11 VAL 543 1HG1 VAL 543 -6.997 0.725 1.597 460 HG12 VAL 543 2HG1 VAL 543 -7.568 0.678 -0.071 461 HG13 VAL 543 3HG1 VAL 543 -6.507 -0.594 0.536 462 HG21 VAL 543 3HG2 VAL 543 -3.950 2.332 1.129 463 HG22 VAL 543 1HG2 VAL 543 -5.552 3.043 1.332 464 HG23 VAL 543 2HG2 VAL 543 -5.116 1.585 2.221 465 H GLY 544 H GLY 544 -5.050 0.944 -2.758 466 HA2 GLY 544 1HA GLY 544 -6.820 -1.056 -3.481 467 HA3 GLY 544 2HA GLY 544 -5.819 -0.164 -4.618 468 H VAL 545 H VAL 545 -3.301 -1.098 -3.575 469 HA VAL 545 HA VAL 545 -3.059 -3.491 -5.083 470 HB VAL 545 HB VAL 545 -1.104 -2.234 -3.153 471 HG11 VAL 545 1HG1 VAL 545 -0.397 -4.455 -3.407 472 HG12 VAL 545 2HG1 VAL 545 -0.833 -4.489 -5.116 473 HG13 VAL 545 3HG1 VAL 545 0.558 -3.547 -4.579 474 HG21 VAL 545 3HG2 VAL 545 -0.563 -2.068 -6.016 475 HG22 VAL 545 1HG2 VAL 545 -2.029 -1.219 -5.526 476 HG23 VAL 545 2HG2 VAL 545 -0.484 -0.819 -4.773 477 H VAL 546 H VAL 546 -3.154 -2.801 -1.616 478 HA VAL 546 HA VAL 546 -2.501 -5.318 -0.632 479 HB VAL 546 HB VAL 546 -4.539 -3.472 0.610 480 HG11 VAL 546 1HG1 VAL 546 -2.713 -5.601 1.700 481 HG12 VAL 546 2HG1 VAL 546 -3.523 -4.411 2.719 482 HG13 VAL 546 3HG1 VAL 546 -4.475 -5.543 1.758 483 HG21 VAL 546 3HG2 VAL 546 -1.771 -2.991 0.026 484 HG22 VAL 546 1HG2 VAL 546 -2.955 -1.924 0.782 485 HG23 VAL 546 2HG2 VAL 546 -2.019 -3.045 1.771 486 H LEU 547 H LEU 547 -5.722 -3.991 -1.370 487 HA LEU 547 HA LEU 547 -7.213 -6.249 -0.685 488 HB2 LEU 547 1HB LEU 547 -7.709 -4.059 -2.686 489 HB3 LEU 547 2HB LEU 547 -8.894 -5.318 -2.337 490 HG LEU 547 HG LEU 547 -7.812 -3.635 -0.113 491 HD11 LEU 547 1HD1 LEU 547 -8.459 -1.907 -1.536 492 HD12 LEU 547 2HD1 LEU 547 -9.887 -2.188 -0.542 493 HD13 LEU 547 3HD1 LEU 547 -9.819 -2.822 -2.186 494 HD21 LEU 547 3HD2 LEU 547 -10.579 -4.735 -0.521 495 HD22 LEU 547 1HD2 LEU 547 -9.808 -4.218 0.979 496 HD23 LEU 547 2HD2 LEU 547 -9.278 -5.699 0.181 497 H LEU 548 H LEU 548 -5.865 -5.292 -3.832 498 HA LEU 548 HA LEU 548 -6.837 -7.408 -5.354 499 HB2 LEU 548 1HB LEU 548 -5.554 -5.293 -6.062 500 HB3 LEU 548 2HB LEU 548 -4.103 -6.248 -5.769 501 HG LEU 548 HG LEU 548 -4.753 -6.170 -8.148 502 HD11 LEU 548 1HD1 LEU 548 -3.811 -8.276 -6.733 503 HD12 LEU 548 2HD1 LEU 548 -3.971 -8.246 -8.489 504 HD13 LEU 548 3HD1 LEU 548 -5.227 -8.995 -7.503 505 HD21 LEU 548 3HD2 LEU 548 -7.263 -6.181 -7.501 506 HD22 LEU 548 1HD2 LEU 548 -7.079 -7.936 -7.503 507 HD23 LEU 548 2HD2 LEU 548 -6.745 -7.013 -8.970 508 H LEU 549 H LEU 549 -3.902 -7.192 -3.392 509 HA LEU 549 HA LEU 549 -2.743 -9.627 -4.126 510 HB2 LEU 549 1HB LEU 549 -1.813 -7.696 -2.695 511 HB3 LEU 549 2HB LEU 549 -2.581 -8.525 -1.343 512 HG LEU 549 HG LEU 549 -0.495 -9.769 -3.132 513 HD11 LEU 549 1HD1 LEU 549 1.157 -9.141 -1.690 514 HD12 LEU 549 2HD1 LEU 549 0.058 -8.981 -0.321 515 HD13 LEU 549 3HD1 LEU 549 0.102 -7.733 -1.566 516 HD21 LEU 549 3HD2 LEU 549 -2.059 -10.669 -0.766 517 HD22 LEU 549 1HD2 LEU 549 -0.390 -11.213 -0.930 518 HD23 LEU 549 2HD2 LEU 549 -1.560 -11.565 -2.202 519 H VAL 550 H VAL 550 -5.158 -8.866 -1.666 520 HA VAL 550 HA VAL 550 -5.246 -11.340 -0.370 521 HB VAL 550 HB VAL 550 -7.505 -9.385 -0.824 522 HG11 VAL 550 1HG1 VAL 550 -7.238 -11.628 1.175 523 HG12 VAL 550 2HG1 VAL 550 -8.536 -10.433 1.142 524 HG13 VAL 550 3HG1 VAL 550 -8.352 -11.574 -0.190 525 HG21 VAL 550 3HG2 VAL 550 -5.135 -9.193 0.722 526 HG22 VAL 550 1HG2 VAL 550 -6.489 -8.066 0.643 527 HG23 VAL 550 2HG2 VAL 550 -6.492 -9.369 1.832 528 H LEU 551 H LEU 551 -7.381 -10.134 -2.965 529 HA LEU 551 HA LEU 551 -8.886 -12.405 -3.370 530 HB2 LEU 551 1HB LEU 551 -7.974 -10.222 -5.200 531 HB3 LEU 551 2HB LEU 551 -8.908 -11.577 -5.833 532 HG LEU 551 HG LEU 551 -10.361 -9.696 -5.404 533 HD11 LEU 551 1HD1 LEU 551 -11.122 -12.047 -4.948 534 HD12 LEU 551 2HD1 LEU 551 -12.026 -10.783 -4.114 535 HD13 LEU 551 3HD1 LEU 551 -10.827 -11.730 -3.237 536 HD21 LEU 551 3HD2 LEU 551 -9.405 -9.856 -2.547 537 HD22 LEU 551 1HD2 LEU 551 -10.668 -8.791 -3.165 538 HD23 LEU 551 2HD2 LEU 551 -9.000 -8.583 -3.700 539 H ALA 552 H ALA 552 -5.664 -11.654 -4.576 540 HA ALA 552 HA ALA 552 -5.394 -13.756 -6.410 541 HB1 ALA 552 1HB ALA 552 -3.579 -11.923 -4.996 542 HB2 ALA 552 2HB ALA 552 -2.857 -13.438 -5.541 543 HB3 ALA 552 3HB ALA 552 -3.646 -12.370 -6.702 544 H GLY 553 H GLY 553 -3.692 -13.666 -3.282 545 HA2 GLY 553 1HA GLY 553 -3.148 -16.382 -3.143 546 HA3 GLY 553 2HA GLY 553 -3.256 -15.317 -1.748 547 H VAL 554 H VAL 554 -5.669 -14.742 -1.224 548 HA VAL 554 HA VAL 554 -6.906 -16.974 -0.203 549 HB VAL 554 HB VAL 554 -8.335 -14.460 -1.079 550 HG11 VAL 554 1HG1 VAL 554 -9.862 -16.250 -0.502 551 HG12 VAL 554 2HG1 VAL 554 -9.006 -16.525 1.017 552 HG13 VAL 554 3HG1 VAL 554 -9.883 -15.016 0.757 553 HG21 VAL 554 3HG2 VAL 554 -6.404 -14.976 1.066 554 HG22 VAL 554 1HG2 VAL 554 -6.919 -13.452 0.340 555 HG23 VAL 554 2HG2 VAL 554 -7.897 -14.204 1.601 556 H GLY 555 H GLY 555 -7.406 -15.450 -3.352 557 HA2 GLY 555 1HA GLY 555 -9.667 -16.767 -4.227 558 HA3 GLY 555 2HA GLY 555 -8.350 -16.272 -5.280 559 H PHE 556 H PHE 556 -6.322 -17.834 -4.865 560 HA PHE 556 HA PHE 556 -7.235 -20.412 -5.756 561 HB2 PHE 556 1HB PHE 556 -5.305 -19.554 -6.857 562 HB3 PHE 556 2HB PHE 556 -4.495 -19.223 -5.328 563 HD1 PHE 556 1HD PHE 556 -5.406 -21.796 -7.757 564 HD2 PHE 556 2HD PHE 556 -3.424 -20.989 -4.078 565 HE1 PHE 556 1HE PHE 556 -4.312 -23.996 -7.869 566 HE2 PHE 556 2HE PHE 556 -2.326 -23.188 -4.185 567 HZ PHE 556 HZ PHE 556 -2.769 -24.695 -6.081 568 H PHE 557 H PHE 557 -6.484 -19.019 -2.759 569 HA PHE 557 HA PHE 557 -5.346 -21.145 -1.351 570 HB2 PHE 557 1HB PHE 557 -5.738 -18.708 -0.607 571 HB3 PHE 557 2HB PHE 557 -7.339 -19.255 -0.120 572 HD1 PHE 557 1HD PHE 557 -3.757 -20.208 0.287 573 HD2 PHE 557 2HD PHE 557 -7.630 -19.977 2.038 574 HE1 PHE 557 1HE PHE 557 -2.832 -20.992 2.430 575 HE2 PHE 557 2HE PHE 557 -6.711 -20.759 4.183 576 HZ PHE 557 HZ PHE 557 -4.310 -21.268 4.380 577 H ILE 558 H ILE 558 -8.503 -20.765 -2.612 578 HA ILE 558 HA ILE 558 -9.785 -22.601 -0.797 579 HB ILE 558 HB ILE 558 -11.019 -20.759 -1.936 580 HG12 ILE 558 1HG1 ILE 558 -12.082 -23.508 -2.614 581 HG13 ILE 558 2HG1 ILE 558 -12.129 -22.804 -1.002 582 HG21 ILE 558 1HG2 ILE 558 -11.357 -20.654 -4.191 583 HG22 ILE 558 2HG2 ILE 558 -9.756 -21.393 -4.166 584 HG23 ILE 558 3HG2 ILE 558 -11.187 -22.395 -4.411 585 HD11 ILE 558 3HD1 ILE 558 -14.175 -22.153 -1.629 586 HD12 ILE 558 1HD1 ILE 558 -13.308 -20.846 -2.435 587 HD13 ILE 558 2HD1 ILE 558 -13.802 -22.272 -3.348 588 H HIS 559 H HIS 559 -7.925 -22.832 -3.661 589 HA HIS 559 HA HIS 559 -8.911 -25.529 -4.242 590 HB2 HIS 559 1HB HIS 559 -7.137 -23.631 -5.777 591 HB3 HIS 559 2HB HIS 559 -7.372 -25.310 -6.256 592 HD1 HIS 559 1HD HIS 559 -9.661 -25.947 -7.259 593 HD2 HIS 559 2HD HIS 559 -9.322 -21.935 -6.236 594 HE1 HIS 559 1HE HIS 559 -11.629 -24.811 -8.334 595 H ARG 560 H ARG 560 -6.580 -24.056 -2.399 596 HA ARG 560 HA ARG 560 -4.236 -25.443 -2.788 597 HB2 ARG 560 1HB ARG 560 -5.550 -24.430 -0.276 598 HB3 ARG 560 2HB ARG 560 -3.976 -25.216 -0.239 599 HG2 ARG 560 1HG ARG 560 -4.311 -23.015 -2.181 600 HG3 ARG 560 2HG ARG 560 -4.288 -22.578 -0.471 601 HD2 ARG 560 1HD ARG 560 -2.202 -24.325 -0.624 602 HD3 ARG 560 2HD ARG 560 -2.130 -23.546 -2.204 603 HE ARG 560 HE ARG 560 -2.343 -21.440 -0.566 604 HH11 ARG 560 1HH1 ARG 560 -0.288 -24.249 -0.471 605 HH12 ARG 560 2HH1 ARG 560 1.016 -23.430 0.323 606 HH21 ARG 560 1HH2 ARG 560 -0.632 -20.350 0.479 607 HH22 ARG 560 2HH2 ARG 560 0.818 -21.212 0.863 608 H ARG 561 H ARG 561 -7.226 -26.561 -1.383 609 HA ARG 561 HA ARG 561 -6.075 -29.258 -1.207 610 HB2 ARG 561 1HB ARG 561 -7.562 -29.593 0.840 611 HB3 ARG 561 2HB ARG 561 -6.108 -28.628 1.062 612 HG2 ARG 561 1HG ARG 561 -8.017 -26.758 0.383 613 HG3 ARG 561 2HG ARG 561 -8.895 -27.902 1.401 614 HD2 ARG 561 1HD ARG 561 -6.220 -27.116 2.360 615 HD3 ARG 561 2HD ARG 561 -7.435 -25.840 2.353 616 HE ARG 561 HE ARG 561 -7.300 -28.067 4.129 617 HH11 ARG 561 1HH1 ARG 561 -9.488 -25.886 2.524 618 HH12 ARG 561 2HH1 ARG 561 -10.735 -26.050 3.717 619 HH21 ARG 561 1HH2 ARG 561 -8.934 -28.292 5.707 620 HH22 ARG 561 2HH2 ARG 561 -10.417 -27.418 5.528 621 H ARG 562 H ARG 562 -9.112 -27.399 -1.071 622 HA ARG 562 HA ARG 562 -10.267 -29.062 -3.126 623 HB2 ARG 562 1HB ARG 562 -11.264 -29.146 -0.284 624 HB3 ARG 562 2HB ARG 562 -12.298 -29.549 -1.648 625 HG2 ARG 562 1HG ARG 562 -10.341 -31.176 -2.259 626 HG3 ARG 562 2HG ARG 562 -9.956 -31.015 -0.543 627 HD2 ARG 562 1HD ARG 562 -12.730 -31.411 -0.685 628 HD3 ARG 562 2HD ARG 562 -12.018 -32.560 -1.816 629 HE ARG 562 HE ARG 562 -10.523 -32.782 0.473 630 HH11 ARG 562 1HH1 ARG 562 -13.887 -33.121 -0.361 631 HH12 ARG 562 2HH1 ARG 562 -14.205 -34.304 0.865 632 HH21 ARG 562 1HH2 ARG 562 -10.931 -34.337 2.090 633 HH22 ARG 562 2HH2 ARG 562 -12.524 -34.993 2.260 634 H LYS 563 H LYS 563 -11.289 -27.701 -4.421 635 HA LYS 563 HA LYS 563 -11.762 -25.023 -3.931 636 HB2 LYS 563 1HB LYS 563 -13.012 -24.980 -5.948 637 HB3 LYS 563 2HB LYS 563 -11.779 -26.216 -6.164 638 HG2 LYS 563 1HG LYS 563 -13.758 -27.752 -5.241 639 HG3 LYS 563 2HG LYS 563 -14.716 -26.471 -5.986 640 HD2 LYS 563 1HD LYS 563 -13.822 -26.882 -8.111 641 HD3 LYS 563 2HD LYS 563 -12.458 -27.790 -7.458 642 HE2 LYS 563 1HE LYS 563 -14.475 -29.307 -6.553 643 HE3 LYS 563 2HE LYS 563 -15.237 -28.648 -8.001 644 HZ1 LYS 563 3HZ LYS 563 -13.106 -30.577 -7.759 645 HZ2 LYS 563 1HZ LYS 563 -12.817 -29.377 -8.915 646 HZ3 LYS 563 2HZ LYS 563 -14.208 -30.333 -9.019 Start of MODEL 7 1 H1 GLU 523 H GLU 523 8.836 -8.732 -12.580 2 HA GLU 523 HA GLU 523 10.909 -6.898 -12.985 3 HB2 GLU 523 1HB GLU 523 9.154 -5.243 -13.364 4 HB3 GLU 523 2HB GLU 523 8.757 -6.763 -14.150 5 HG2 GLU 523 1HG GLU 523 7.540 -7.089 -11.752 6 HG3 GLU 523 2HG GLU 523 7.393 -5.347 -11.977 7 H PHE 524 H PHE 524 11.969 -5.571 -11.667 8 HA PHE 524 HA PHE 524 10.868 -5.122 -8.971 9 HB2 PHE 524 1HB PHE 524 13.283 -4.734 -8.316 10 HB3 PHE 524 2HB PHE 524 12.878 -6.387 -8.766 11 HD1 PHE 524 1HD PHE 524 13.637 -7.311 -10.905 12 HD2 PHE 524 2HD PHE 524 14.795 -3.425 -9.614 13 HE1 PHE 524 1HE PHE 524 15.448 -7.301 -12.571 14 HE2 PHE 524 2HE PHE 524 16.607 -3.409 -11.279 15 HZ PHE 524 HZ PHE 524 16.936 -5.348 -12.760 16 H GLN 525 H GLN 525 10.703 -3.077 -8.197 17 HA GLN 525 HA GLN 525 11.688 -0.897 -9.915 18 HB2 GLN 525 1HB GLN 525 9.075 -0.886 -8.397 19 HB3 GLN 525 2HB GLN 525 9.669 0.364 -9.482 20 HG2 GLN 525 1HG GLN 525 9.649 -2.050 -10.938 21 HG3 GLN 525 2HG GLN 525 8.114 -1.945 -10.078 22 HE21 GLN 525 2HE2 GLN 525 10.303 -0.004 -12.072 23 HE22 GLN 525 1HE2 GLN 525 9.059 0.860 -12.905 24 H THR 526 H THR 526 11.055 1.260 -8.419 25 HA THR 526 HA THR 526 12.311 0.787 -5.799 26 HB THR 526 HB THR 526 13.475 3.022 -6.108 27 HG1 THR 526 1HG THR 526 13.430 3.961 -8.037 28 HG21 THR 526 3HG2 THR 526 15.289 2.039 -7.527 29 HG22 THR 526 1HG2 THR 526 14.225 0.671 -7.845 30 HG23 THR 526 2HG2 THR 526 14.766 1.005 -6.199 31 H LEU 527 H LEU 527 11.168 3.690 -7.508 32 HA LEU 527 HA LEU 527 9.726 5.339 -6.889 33 HB2 LEU 527 1HB LEU 527 8.208 3.131 -5.517 34 HB3 LEU 527 2HB LEU 527 7.566 4.657 -6.121 35 HG LEU 527 HG LEU 527 8.701 2.494 -7.888 36 HD11 LEU 527 1HD1 LEU 527 5.905 3.000 -6.931 37 HD12 LEU 527 2HD1 LEU 527 6.814 1.490 -6.941 38 HD13 LEU 527 3HD1 LEU 527 6.232 2.177 -8.457 39 HD21 LEU 527 3HD2 LEU 527 7.220 5.061 -8.387 40 HD22 LEU 527 1HD2 LEU 527 7.313 3.772 -9.588 41 HD23 LEU 527 2HD2 LEU 527 8.788 4.556 -9.019 42 H SER 528 H SER 528 11.302 6.285 -5.480 43 HA SER 528 HA SER 528 11.741 5.676 -2.822 44 HB2 SER 528 1HB SER 528 12.283 8.162 -2.588 45 HB3 SER 528 2HB SER 528 13.163 7.283 -3.840 46 HG SER 528 HG SER 528 11.915 9.452 -4.234 47 HA PRO 529 HA PRO 529 8.143 6.750 -0.553 48 HB2 PRO 529 1HB PRO 529 9.210 7.767 1.727 49 HB3 PRO 529 2HB PRO 529 9.254 6.045 1.331 50 HG2 PRO 529 1HG PRO 529 11.390 8.117 1.007 51 HG3 PRO 529 2HG PRO 529 11.526 6.455 1.609 52 HD2 PRO 529 1HD PRO 529 12.206 7.152 -0.919 53 HD3 PRO 529 2HD PRO 529 11.541 5.556 -0.514 54 H GLU 530 H GLU 530 6.974 8.540 0.491 55 HA GLU 530 HA GLU 530 7.963 11.208 -0.218 56 HB2 GLU 530 1HB GLU 530 5.127 10.367 -0.798 57 HB3 GLU 530 2HB GLU 530 5.940 11.843 -1.296 58 HG2 GLU 530 1HG GLU 530 7.535 10.020 -2.459 59 HG3 GLU 530 2HG GLU 530 6.003 9.150 -2.480 60 H GLY 531 H GLY 531 5.646 12.618 0.473 61 HA2 GLY 531 1HA GLY 531 4.090 12.524 2.459 62 HA3 GLY 531 2HA GLY 531 5.517 12.054 3.369 63 H SER 532 H SER 532 3.982 14.240 4.097 64 HA SER 532 HA SER 532 5.973 16.298 4.113 65 HB2 SER 532 1HB SER 532 4.539 18.061 3.112 66 HB3 SER 532 2HB SER 532 4.983 16.811 1.948 67 HG SER 532 HG SER 532 2.531 17.568 2.793 68 H GLY 533 H GLY 533 2.622 15.384 4.765 69 HA2 GLY 533 1HA GLY 533 2.867 16.736 7.375 70 HA3 GLY 533 2HA GLY 533 1.420 16.935 6.398 71 H ASN 534 H ASN 534 -0.217 15.751 7.090 72 HA ASN 534 HA ASN 534 0.288 13.369 8.683 73 HB2 ASN 534 1HB ASN 534 -2.165 15.016 8.109 74 HB3 ASN 534 2HB ASN 534 -2.281 13.441 8.888 75 HD21 ASN 534 2HD2 ASN 534 -0.960 16.674 9.164 76 HD22 ASN 534 1HD2 ASN 534 -0.778 16.656 10.882 77 H LEU 535 H LEU 535 -0.382 14.160 5.466 78 HA LEU 535 HA LEU 535 -1.907 11.844 4.763 79 HB2 LEU 535 1HB LEU 535 -0.340 13.811 3.106 80 HB3 LEU 535 2HB LEU 535 -1.311 12.508 2.425 81 HG LEU 535 HG LEU 535 -2.628 14.444 2.242 82 HD11 LEU 535 1HD1 LEU 535 -3.529 13.065 4.767 83 HD12 LEU 535 2HD1 LEU 535 -3.812 12.476 3.129 84 HD13 LEU 535 3HD1 LEU 535 -4.535 13.996 3.657 85 HD21 LEU 535 3HD2 LEU 535 -1.178 15.686 3.962 86 HD22 LEU 535 1HD2 LEU 535 -2.325 15.080 5.157 87 HD23 LEU 535 2HD2 LEU 535 -2.885 16.117 3.845 88 H ALA 536 H ALA 536 1.406 12.465 5.322 89 HA ALA 536 HA ALA 536 2.567 10.527 3.622 90 HB1 ALA 536 1HB ALA 536 4.567 10.890 4.784 91 HB2 ALA 536 2HB ALA 536 3.717 12.434 4.870 92 HB3 ALA 536 3HB ALA 536 3.726 11.354 6.264 93 H VAL 537 H VAL 537 1.205 10.374 6.859 94 HA VAL 537 HA VAL 537 2.156 7.903 7.694 95 HB VAL 537 HB VAL 537 -0.624 8.949 8.232 96 HG11 VAL 537 1HG1 VAL 537 -0.177 7.777 10.444 97 HG12 VAL 537 2HG1 VAL 537 -0.459 6.745 9.041 98 HG13 VAL 537 3HG1 VAL 537 1.183 6.998 9.633 99 HG21 VAL 537 3HG2 VAL 537 2.039 9.797 9.267 100 HG22 VAL 537 1HG2 VAL 537 0.617 10.767 8.882 101 HG23 VAL 537 2HG2 VAL 537 0.656 9.807 10.362 102 H ILE 538 H ILE 538 -0.145 8.660 5.243 103 HA ILE 538 HA ILE 538 -1.642 6.295 5.165 104 HB ILE 538 HB ILE 538 -0.841 7.984 2.793 105 HG12 ILE 538 1HG1 ILE 538 -3.284 8.261 4.552 106 HG13 ILE 538 2HG1 ILE 538 -1.856 9.281 4.684 107 HG21 ILE 538 1HG2 ILE 538 -1.812 6.066 1.921 108 HG22 ILE 538 2HG2 ILE 538 -2.947 5.911 3.260 109 HG23 ILE 538 3HG2 ILE 538 -3.178 7.172 2.050 110 HD11 ILE 538 3HD1 ILE 538 -3.146 10.603 3.372 111 HD12 ILE 538 1HD1 ILE 538 -2.340 9.662 2.116 112 HD13 ILE 538 2HD1 ILE 538 -3.977 9.241 2.621 113 H GLY 539 H GLY 539 1.144 7.179 3.105 114 HA2 GLY 539 1HA GLY 539 1.452 4.658 1.923 115 HA3 GLY 539 2HA GLY 539 2.709 5.879 2.046 116 H GLY 540 H GLY 540 2.971 6.022 4.826 117 HA2 GLY 540 1HA GLY 540 4.833 4.055 5.365 118 HA3 GLY 540 2HA GLY 540 3.994 4.981 6.601 119 H VAL 541 H VAL 541 1.438 4.121 6.441 120 HA VAL 541 HA VAL 541 1.621 1.516 7.631 121 HB VAL 541 HB VAL 541 -0.827 3.168 6.991 122 HG11 VAL 541 1HG1 VAL 541 -0.477 0.492 8.065 123 HG12 VAL 541 2HG1 VAL 541 -1.389 1.542 9.150 124 HG13 VAL 541 3HG1 VAL 541 -1.936 1.300 7.491 125 HG21 VAL 541 3HG2 VAL 541 0.356 4.461 8.514 126 HG22 VAL 541 1HG2 VAL 541 -0.692 3.499 9.556 127 HG23 VAL 541 2HG2 VAL 541 1.003 3.054 9.359 128 H ALA 542 H ALA 542 -0.154 2.811 4.821 129 HA ALA 542 HA ALA 542 -1.255 0.485 3.860 130 HB1 ALA 542 1HB ALA 542 -0.110 2.396 1.885 131 HB2 ALA 542 2HB ALA 542 -1.693 1.619 1.921 132 HB3 ALA 542 3HB ALA 542 -1.349 2.969 3.002 133 H VAL 543 H VAL 543 1.818 1.882 2.692 134 HA VAL 543 HA VAL 543 2.611 -0.282 1.137 135 HB VAL 543 HB VAL 543 4.351 1.695 2.617 136 HG11 VAL 543 1HG1 VAL 543 5.044 -0.646 1.117 137 HG12 VAL 543 2HG1 VAL 543 5.620 0.797 0.279 138 HG13 VAL 543 3HG1 VAL 543 6.097 0.498 1.951 139 HG21 VAL 543 3HG2 VAL 543 3.704 1.751 -0.307 140 HG22 VAL 543 1HG2 VAL 543 2.608 2.470 0.874 141 HG23 VAL 543 2HG2 VAL 543 4.265 3.059 0.736 142 H GLY 544 H GLY 544 3.457 0.457 4.518 143 HA2 GLY 544 1HA GLY 544 5.147 -1.666 5.040 144 HA3 GLY 544 2HA GLY 544 4.096 -0.925 6.239 145 H VAL 545 H VAL 545 1.622 -1.641 4.977 146 HA VAL 545 HA VAL 545 1.275 -4.227 6.088 147 HB VAL 545 HB VAL 545 -0.572 -2.646 4.294 148 HG11 VAL 545 1HG1 VAL 545 -1.464 -4.756 4.143 149 HG12 VAL 545 2HG1 VAL 545 -0.875 -5.238 5.735 150 HG13 VAL 545 3HG1 VAL 545 -2.267 -4.166 5.598 151 HG21 VAL 545 3HG2 VAL 545 -1.081 -1.406 6.068 152 HG22 VAL 545 1HG2 VAL 545 -1.382 -2.846 7.042 153 HG23 VAL 545 2HG2 VAL 545 0.246 -2.176 6.937 154 H VAL 546 H VAL 546 1.585 -3.024 2.785 155 HA VAL 546 HA VAL 546 0.926 -5.362 1.408 156 HB VAL 546 HB VAL 546 3.019 -3.375 0.526 157 HG11 VAL 546 1HG1 VAL 546 1.206 -5.280 -0.938 158 HG12 VAL 546 2HG1 VAL 546 2.086 -3.973 -1.732 159 HG13 VAL 546 3HG1 VAL 546 2.969 -5.262 -0.913 160 HG21 VAL 546 3HG2 VAL 546 1.451 -1.797 0.549 161 HG22 VAL 546 1HG2 VAL 546 0.555 -2.739 -0.645 162 HG23 VAL 546 2HG2 VAL 546 0.230 -2.955 1.074 163 H LEU 547 H LEU 547 4.129 -4.187 2.431 164 HA LEU 547 HA LEU 547 5.634 -6.331 1.478 165 HB2 LEU 547 1HB LEU 547 6.023 -4.363 3.698 166 HB3 LEU 547 2HB LEU 547 7.182 -5.670 3.454 167 HG LEU 547 HG LEU 547 7.987 -3.640 2.421 168 HD11 LEU 547 1HD1 LEU 547 8.698 -4.587 0.470 169 HD12 LEU 547 2HD1 LEU 547 7.105 -5.229 0.068 170 HD13 LEU 547 3HD1 LEU 547 8.090 -6.020 1.301 171 HD21 LEU 547 3HD2 LEU 547 5.812 -2.555 2.074 172 HD22 LEU 547 1HD2 LEU 547 5.459 -3.695 0.775 173 HD23 LEU 547 2HD2 LEU 547 6.792 -2.552 0.607 174 H LEU 548 H LEU 548 4.096 -5.867 4.642 175 HA LEU 548 HA LEU 548 5.026 -8.206 5.860 176 HB2 LEU 548 1HB LEU 548 3.764 -6.201 6.860 177 HB3 LEU 548 2HB LEU 548 2.303 -7.060 6.378 178 HG LEU 548 HG LEU 548 2.891 -7.368 8.760 179 HD11 LEU 548 1HD1 LEU 548 3.284 -10.077 7.716 180 HD12 LEU 548 2HD1 LEU 548 1.936 -9.200 6.993 181 HD13 LEU 548 3HD1 LEU 548 2.005 -9.425 8.740 182 HD21 LEU 548 3HD2 LEU 548 5.405 -7.356 8.223 183 HD22 LEU 548 1HD2 LEU 548 5.189 -9.066 7.851 184 HD23 LEU 548 2HD2 LEU 548 4.824 -8.463 9.468 185 H LEU 549 H LEU 549 2.230 -7.625 3.792 186 HA LEU 549 HA LEU 549 0.967 -10.110 4.127 187 HB2 LEU 549 1HB LEU 549 0.137 -7.961 2.977 188 HB3 LEU 549 2HB LEU 549 0.945 -8.590 1.544 189 HG LEU 549 HG LEU 549 -1.237 -10.042 3.035 190 HD11 LEU 549 1HD1 LEU 549 -1.643 -8.800 0.362 191 HD12 LEU 549 2HD1 LEU 549 -1.743 -7.779 1.796 192 HD13 LEU 549 3HD1 LEU 549 -2.814 -9.169 1.627 193 HD21 LEU 549 3HD2 LEU 549 -1.274 -11.124 0.631 194 HD22 LEU 549 1HD2 LEU 549 -0.170 -11.700 1.880 195 HD23 LEU 549 2HD2 LEU 549 0.413 -10.606 0.625 196 H VAL 550 H VAL 550 3.498 -9.044 1.907 197 HA VAL 550 HA VAL 550 3.586 -11.327 0.280 198 HB VAL 550 HB VAL 550 5.848 -9.463 1.014 199 HG11 VAL 550 1HG1 VAL 550 6.661 -11.565 0.079 200 HG12 VAL 550 2HG1 VAL 550 5.576 -11.380 -1.299 201 HG13 VAL 550 3HG1 VAL 550 6.898 -10.236 -1.054 202 HG21 VAL 550 3HG2 VAL 550 4.229 -8.107 0.034 203 HG22 VAL 550 1HG2 VAL 550 5.258 -8.558 -1.325 204 HG23 VAL 550 2HG2 VAL 550 3.710 -9.368 -1.083 205 H LEU 551 H LEU 551 5.826 -10.460 2.923 206 HA LEU 551 HA LEU 551 7.214 -12.836 3.065 207 HB2 LEU 551 1HB LEU 551 6.513 -10.770 5.112 208 HB3 LEU 551 2HB LEU 551 7.396 -12.222 5.582 209 HG LEU 551 HG LEU 551 8.930 -10.387 5.237 210 HD11 LEU 551 1HD1 LEU 551 10.411 -11.825 4.433 211 HD12 LEU 551 2HD1 LEU 551 9.706 -11.719 2.821 212 HD13 LEU 551 3HD1 LEU 551 9.080 -12.890 3.983 213 HD21 LEU 551 3HD2 LEU 551 7.845 -10.262 2.424 214 HD22 LEU 551 1HD2 LEU 551 9.187 -9.314 3.068 215 HD23 LEU 551 2HD2 LEU 551 7.555 -9.071 3.695 216 H ALA 552 H ALA 552 4.051 -12.056 4.347 217 HA ALA 552 HA ALA 552 3.707 -14.196 6.109 218 HB1 ALA 552 1HB ALA 552 1.861 -13.004 6.432 219 HB2 ALA 552 2HB ALA 552 2.043 -12.192 4.876 220 HB3 ALA 552 3HB ALA 552 1.205 -13.741 4.971 221 H GLY 553 H GLY 553 2.215 -13.994 2.872 222 HA2 GLY 553 1HA GLY 553 1.674 -16.758 2.719 223 HA3 GLY 553 2HA GLY 553 1.660 -15.637 1.369 224 H VAL 554 H VAL 554 4.175 -14.839 1.054 225 HA VAL 554 HA VAL 554 5.433 -16.879 -0.310 226 HB VAL 554 HB VAL 554 6.746 -14.475 0.962 227 HG11 VAL 554 1HG1 VAL 554 8.416 -16.102 0.363 228 HG12 VAL 554 2HG1 VAL 554 7.691 -16.317 -1.231 229 HG13 VAL 554 3HG1 VAL 554 8.455 -14.784 -0.806 230 HG21 VAL 554 3HG2 VAL 554 6.432 -13.391 -1.180 231 HG22 VAL 554 1HG2 VAL 554 5.676 -14.844 -1.834 232 HG23 VAL 554 2HG2 VAL 554 4.875 -13.933 -0.553 233 H GLY 555 H GLY 555 5.439 -16.225 3.080 234 HA2 GLY 555 1HA GLY 555 7.828 -17.731 3.660 235 HA3 GLY 555 2HA GLY 555 6.679 -17.100 4.831 236 H PHE 556 H PHE 556 4.498 -18.264 4.804 237 HA PHE 556 HA PHE 556 4.906 -20.948 5.486 238 HB2 PHE 556 1HB PHE 556 3.047 -19.831 6.456 239 HB3 PHE 556 2HB PHE 556 2.405 -19.377 4.880 240 HD1 PHE 556 2HD PHE 556 3.645 -22.697 5.974 241 HD2 PHE 556 1HD PHE 556 0.278 -20.328 4.893 242 HE1 PHE 556 2HE PHE 556 2.230 -24.710 5.978 243 HE2 PHE 556 1HE PHE 556 -1.142 -22.337 4.894 244 HZ PHE 556 HZ PHE 556 -0.165 -24.532 5.437 245 H PHE 557 H PHE 557 3.457 -19.517 2.575 246 HA PHE 557 HA PHE 557 2.728 -21.837 1.253 247 HB2 PHE 557 1HB PHE 557 2.140 -19.582 0.469 248 HB3 PHE 557 2HB PHE 557 3.821 -19.292 0.033 249 HD1 PHE 557 2HD PHE 557 2.087 -22.492 -0.496 250 HD2 PHE 557 1HD PHE 557 3.449 -18.873 -2.277 251 HE1 PHE 557 2HE PHE 557 1.666 -23.436 -2.730 252 HE2 PHE 557 1HE PHE 557 3.028 -19.810 -4.512 253 HZ PHE 557 HZ PHE 557 2.136 -22.096 -4.741 254 H ILE 558 H ILE 558 5.882 -20.489 1.768 255 HA ILE 558 HA ILE 558 7.108 -22.296 -0.170 256 HB ILE 558 HB ILE 558 8.169 -20.023 1.482 257 HG12 ILE 558 1HG1 ILE 558 7.077 -19.553 -0.695 258 HG13 ILE 558 2HG1 ILE 558 8.780 -19.107 -0.686 259 HG21 ILE 558 1HG2 ILE 558 9.672 -22.278 0.249 260 HG22 ILE 558 2HG2 ILE 558 10.369 -20.660 0.196 261 HG23 ILE 558 3HG2 ILE 558 9.979 -21.401 1.748 262 HD11 ILE 558 3HD1 ILE 558 8.468 -21.806 -1.603 263 HD12 ILE 558 1HD1 ILE 558 7.446 -20.713 -2.536 264 HD13 ILE 558 2HD1 ILE 558 9.180 -20.416 -2.420 265 H HIS 559 H HIS 559 6.730 -21.857 3.273 266 HA HIS 559 HA HIS 559 8.745 -23.666 4.105 267 HB2 HIS 559 1HB HIS 559 6.311 -22.496 5.423 268 HB3 HIS 559 2HB HIS 559 7.258 -23.740 6.233 269 HD1 HIS 559 1HD HIS 559 6.912 -20.333 6.442 270 HD2 HIS 559 2HD HIS 559 10.245 -22.747 5.873 271 HE1 HIS 559 1HE HIS 559 8.880 -18.943 7.162 272 H ARG 560 H ARG 560 5.659 -24.117 2.718 273 HA ARG 560 HA ARG 560 4.886 -26.564 3.847 274 HB2 ARG 560 1HB ARG 560 4.323 -25.228 1.219 275 HB3 ARG 560 2HB ARG 560 3.730 -26.851 1.540 276 HG2 ARG 560 1HG ARG 560 3.069 -25.264 3.779 277 HG3 ARG 560 2HG ARG 560 2.626 -24.355 2.331 278 HD2 ARG 560 1HD ARG 560 0.807 -25.809 3.170 279 HD3 ARG 560 2HD ARG 560 1.301 -26.194 1.524 280 HE ARG 560 HE ARG 560 2.020 -28.248 2.249 281 HH11 ARG 560 1HH1 ARG 560 1.456 -26.181 4.993 282 HH12 ARG 560 2HH1 ARG 560 1.640 -27.455 6.155 283 HH21 ARG 560 1HH2 ARG 560 2.264 -29.932 3.768 284 HH22 ARG 560 2HH2 ARG 560 2.101 -29.587 5.457 285 H ARG 561 H ARG 561 7.279 -25.782 1.457 286 HA ARG 561 HA ARG 561 7.957 -28.637 1.264 287 HB2 ARG 561 1HB ARG 561 7.803 -26.630 -0.983 288 HB3 ARG 561 2HB ARG 561 8.684 -28.144 -1.120 289 HG2 ARG 561 1HG ARG 561 5.803 -28.118 -0.317 290 HG3 ARG 561 2HG ARG 561 6.279 -28.022 -2.013 291 HD2 ARG 561 1HD ARG 561 6.414 -30.242 -2.014 292 HD3 ARG 561 2HD ARG 561 7.812 -30.091 -0.950 293 HE ARG 561 HE ARG 561 6.531 -30.892 0.759 294 HH11 ARG 561 1HH1 ARG 561 4.429 -29.733 -1.763 295 HH12 ARG 561 2HH1 ARG 561 2.982 -30.305 -0.999 296 HH21 ARG 561 1HH2 ARG 561 4.633 -31.650 1.775 297 HH22 ARG 561 2HH2 ARG 561 3.100 -31.394 1.013 298 H ARG 562 H ARG 562 9.237 -27.374 3.130 299 HA ARG 562 HA ARG 562 11.404 -25.743 2.515 300 HB2 ARG 562 1HB ARG 562 12.410 -26.661 4.636 301 HB3 ARG 562 2HB ARG 562 10.783 -26.013 4.799 302 HG2 ARG 562 1HG ARG 562 10.683 -28.818 4.181 303 HG3 ARG 562 2HG ARG 562 11.704 -28.527 5.590 304 HD2 ARG 562 1HD ARG 562 9.691 -26.946 6.265 305 HD3 ARG 562 2HD ARG 562 8.796 -28.035 5.207 306 HE ARG 562 HE ARG 562 10.265 -29.631 6.924 307 HH11 ARG 562 1HH1 ARG 562 7.748 -27.239 7.164 308 HH12 ARG 562 2HH1 ARG 562 7.052 -27.925 8.595 309 HH21 ARG 562 1HH2 ARG 562 9.359 -30.544 8.809 310 HH22 ARG 562 2HH2 ARG 562 7.970 -29.803 9.530 311 H LYS 563 H LYS 563 13.320 -26.067 1.576 312 HA LYS 563 HA LYS 563 14.992 -27.087 0.413 313 HB2 LYS 563 1HB LYS 563 14.595 -29.296 2.439 314 HB3 LYS 563 2HB LYS 563 16.038 -29.010 1.475 315 HG2 LYS 563 1HG LYS 563 14.940 -27.105 3.532 316 HG3 LYS 563 2HG LYS 563 16.259 -28.245 3.804 317 HD2 LYS 563 1HD LYS 563 17.376 -27.112 1.781 318 HD3 LYS 563 2HD LYS 563 16.195 -25.823 2.031 319 HE2 LYS 563 1HE LYS 563 17.404 -24.982 3.694 320 HE3 LYS 563 2HE LYS 563 17.390 -26.532 4.534 321 HZ1 LYS 563 3HZ LYS 563 19.542 -26.685 4.103 322 HZ2 LYS 563 1HZ LYS 563 19.517 -25.283 3.155 323 HZ3 LYS 563 2HZ LYS 563 19.192 -26.786 2.451 324 H1 GLU 523 H GLU 523 13.015 30.496 -14.432 325 HA GLU 523 HA GLU 523 13.473 29.825 -17.143 326 HB2 GLU 523 1HB GLU 523 15.083 29.652 -14.625 327 HB3 GLU 523 2HB GLU 523 15.670 28.855 -16.079 328 HG2 GLU 523 1HG GLU 523 16.702 30.931 -16.123 329 HG3 GLU 523 2HG GLU 523 15.340 31.116 -17.226 330 H PHE 524 H PHE 524 13.625 27.768 -14.229 331 HA PHE 524 HA PHE 524 12.616 25.534 -15.837 332 HB2 PHE 524 1HB PHE 524 15.252 25.740 -14.548 333 HB3 PHE 524 2HB PHE 524 14.378 24.258 -14.178 334 HD1 PHE 524 1HD PHE 524 13.235 23.164 -16.345 335 HD2 PHE 524 2HD PHE 524 16.659 25.693 -16.350 336 HE1 PHE 524 1HE PHE 524 13.931 22.213 -18.506 337 HE2 PHE 524 2HE PHE 524 17.359 24.747 -18.510 338 HZ PHE 524 HZ PHE 524 15.993 23.006 -19.593 339 H GLN 525 H GLN 525 11.370 24.048 -14.728 340 HA GLN 525 HA GLN 525 11.173 23.873 -11.924 341 HB2 GLN 525 1HB GLN 525 8.806 24.840 -11.787 342 HB3 GLN 525 2HB GLN 525 10.142 25.983 -11.843 343 HG2 GLN 525 1HG GLN 525 8.991 25.240 -14.446 344 HG3 GLN 525 2HG GLN 525 7.939 26.161 -13.372 345 HE21 GLN 525 2HE2 GLN 525 9.103 28.072 -12.313 346 HE22 GLN 525 1HE2 GLN 525 10.066 29.042 -13.370 347 H THR 526 H THR 526 9.021 22.728 -11.302 348 HA THR 526 HA THR 526 7.857 21.154 -13.439 349 HB THR 526 HB THR 526 8.377 19.013 -12.063 350 HG1 THR 526 1HG THR 526 10.141 20.906 -10.991 351 HG21 THR 526 3HG2 THR 526 9.906 18.475 -13.650 352 HG22 THR 526 1HG2 THR 526 10.863 19.930 -13.376 353 HG23 THR 526 2HG2 THR 526 9.393 20.012 -14.346 354 H LEU 527 H LEU 527 7.035 23.065 -11.306 355 HA LEU 527 HA LEU 527 5.290 21.358 -9.680 356 HB2 LEU 527 1HB LEU 527 5.979 24.283 -9.451 357 HB3 LEU 527 2HB LEU 527 4.849 23.436 -8.397 358 HG LEU 527 HG LEU 527 7.606 22.354 -8.589 359 HD11 LEU 527 1HD1 LEU 527 7.226 24.523 -6.624 360 HD12 LEU 527 2HD1 LEU 527 7.468 25.015 -8.301 361 HD13 LEU 527 3HD1 LEU 527 8.674 24.014 -7.493 362 HD21 LEU 527 3HD2 LEU 527 7.211 21.880 -6.240 363 HD22 LEU 527 1HD2 LEU 527 5.870 21.285 -7.221 364 HD23 LEU 527 2HD2 LEU 527 5.693 22.776 -6.294 365 H SER 528 H SER 528 3.040 21.984 -9.410 366 HA SER 528 HA SER 528 1.928 23.012 -11.925 367 HB2 SER 528 1HB SER 528 -0.201 21.926 -11.088 368 HB3 SER 528 2HB SER 528 1.122 20.814 -11.432 369 HG SER 528 HG SER 528 0.086 20.392 -9.415 370 HA PRO 529 HA PRO 529 0.301 26.647 -10.085 371 HB2 PRO 529 1HB PRO 529 -2.050 26.924 -11.411 372 HB3 PRO 529 2HB PRO 529 -0.481 27.216 -12.168 373 HG2 PRO 529 1HG PRO 529 -2.234 24.795 -12.317 374 HG3 PRO 529 2HG PRO 529 -1.332 25.604 -13.612 375 HD2 PRO 529 1HD PRO 529 -0.440 23.350 -12.405 376 HD3 PRO 529 2HD PRO 529 0.658 24.599 -13.026 377 H GLU 530 H GLU 530 -1.508 23.695 -9.947 378 HA GLU 530 HA GLU 530 -2.547 24.357 -7.360 379 HB2 GLU 530 1HB GLU 530 -4.957 23.857 -8.116 380 HB3 GLU 530 2HB GLU 530 -4.308 25.460 -8.426 381 HG2 GLU 530 1HG GLU 530 -3.888 24.896 -10.729 382 HG3 GLU 530 2HG GLU 530 -4.390 23.230 -10.444 383 H GLY 531 H GLY 531 -2.257 22.543 -6.256 384 HA2 GLY 531 1HA GLY 531 -2.321 19.980 -7.676 385 HA3 GLY 531 2HA GLY 531 -1.628 20.264 -6.086 386 H SER 532 H SER 532 -3.443 18.160 -6.853 387 HA SER 532 HA SER 532 -5.696 18.826 -5.076 388 HB2 SER 532 1HB SER 532 -5.820 16.974 -7.468 389 HB3 SER 532 2HB SER 532 -7.160 17.420 -6.413 390 HG SER 532 HG SER 532 -6.967 18.608 -8.458 391 H GLY 533 H GLY 533 -3.929 17.949 -3.575 392 HA2 GLY 533 1HA GLY 533 -3.536 16.286 -2.017 393 HA3 GLY 533 2HA GLY 533 -4.657 15.254 -2.893 394 H ASN 534 H ASN 534 -1.365 16.568 -3.014 395 HA ASN 534 HA ASN 534 -0.461 14.699 -4.969 396 HB2 ASN 534 1HB ASN 534 0.909 16.646 -3.131 397 HB3 ASN 534 2HB ASN 534 1.844 15.500 -4.088 398 HD21 ASN 534 2HD2 ASN 534 -0.738 17.901 -4.417 399 HD22 ASN 534 1HD2 ASN 534 -0.230 18.489 -5.961 400 H LEU 535 H LEU 535 -0.753 14.674 -1.518 401 HA LEU 535 HA LEU 535 0.952 12.325 -1.247 402 HB2 LEU 535 1HB LEU 535 -0.577 13.940 0.787 403 HB3 LEU 535 2HB LEU 535 0.429 12.544 1.171 404 HG LEU 535 HG LEU 535 1.745 14.407 1.700 405 HD11 LEU 535 1HD1 LEU 535 2.559 13.665 -1.106 406 HD12 LEU 535 2HD1 LEU 535 2.887 12.692 0.327 407 HD13 LEU 535 3HD1 LEU 535 3.597 14.300 0.172 408 HD21 LEU 535 3HD2 LEU 535 1.448 15.700 -0.965 409 HD22 LEU 535 1HD2 LEU 535 1.804 16.417 0.607 410 HD23 LEU 535 2HD2 LEU 535 0.162 15.902 0.226 411 H ALA 536 H ALA 536 -2.354 13.140 -1.618 412 HA ALA 536 HA ALA 536 -3.563 10.947 -0.318 413 HB1 ALA 536 1HB ALA 536 -4.672 13.072 -1.167 414 HB2 ALA 536 2HB ALA 536 -4.684 12.303 -2.755 415 HB3 ALA 536 3HB ALA 536 -5.552 11.564 -1.409 416 H VAL 537 H VAL 537 -2.226 11.362 -3.547 417 HA VAL 537 HA VAL 537 -3.239 9.109 -4.808 418 HB VAL 537 HB VAL 537 -0.439 10.174 -5.173 419 HG11 VAL 537 1HG1 VAL 537 -0.906 9.429 -7.552 420 HG12 VAL 537 2HG1 VAL 537 -0.671 8.149 -6.360 421 HG13 VAL 537 3HG1 VAL 537 -2.298 8.563 -6.902 422 HG21 VAL 537 3HG2 VAL 537 -3.075 11.182 -6.203 423 HG22 VAL 537 1HG2 VAL 537 -1.808 12.075 -5.360 424 HG23 VAL 537 2HG2 VAL 537 -1.551 11.533 -7.018 425 H ILE 538 H ILE 538 -0.879 9.356 -2.301 426 HA ILE 538 HA ILE 538 0.549 6.980 -2.667 427 HB ILE 538 HB ILE 538 -0.194 8.231 -0.022 428 HG12 ILE 538 1HG1 ILE 538 2.255 8.745 -1.716 429 HG13 ILE 538 2HG1 ILE 538 0.857 9.814 -1.662 430 HG21 ILE 538 1HG2 ILE 538 1.839 6.208 -0.870 431 HG22 ILE 538 2HG2 ILE 538 2.126 7.231 0.537 432 HG23 ILE 538 3HG2 ILE 538 0.722 6.165 0.492 433 HD11 ILE 538 3HD1 ILE 538 2.184 10.844 -0.142 434 HD12 ILE 538 1HD1 ILE 538 1.349 9.722 0.930 435 HD13 ILE 538 2HD1 ILE 538 2.973 9.347 0.353 436 H GLY 539 H GLY 539 -2.212 7.539 -0.466 437 HA2 GLY 539 1HA GLY 539 -2.570 4.848 0.240 438 HA3 GLY 539 2HA GLY 539 -3.796 6.102 0.362 439 H GLY 540 H GLY 540 -4.053 6.760 -2.353 440 HA2 GLY 540 1HA GLY 540 -5.982 4.983 -3.221 441 HA3 GLY 540 2HA GLY 540 -5.116 6.091 -4.276 442 H VAL 541 H VAL 541 -2.596 5.145 -4.317 443 HA VAL 541 HA VAL 541 -2.867 2.798 -5.945 444 HB VAL 541 HB VAL 541 -0.368 4.252 -5.064 445 HG11 VAL 541 1HG1 VAL 541 0.499 2.263 -5.771 446 HG12 VAL 541 2HG1 VAL 541 -0.856 1.928 -6.851 447 HG13 VAL 541 3HG1 VAL 541 0.380 3.094 -7.321 448 HG21 VAL 541 3HG2 VAL 541 -1.068 4.553 -7.836 449 HG22 VAL 541 1HG2 VAL 541 -2.402 5.074 -6.806 450 HG23 VAL 541 2HG2 VAL 541 -0.804 5.793 -6.607 451 H ALA 542 H ALA 542 -1.040 3.530 -2.970 452 HA ALA 542 HA ALA 542 0.016 1.047 -2.451 453 HB1 ALA 542 1HB ALA 542 -1.082 2.637 -0.178 454 HB2 ALA 542 2HB ALA 542 0.458 1.789 -0.320 455 HB3 ALA 542 3HB ALA 542 0.210 3.315 -1.169 456 H VAL 543 H VAL 543 -3.030 2.277 -1.048 457 HA VAL 543 HA VAL 543 -3.861 -0.108 0.119 458 HB VAL 543 HB VAL 543 -5.564 2.125 -0.996 459 HG11 VAL 543 1HG1 VAL 543 -6.299 -0.426 0.086 460 HG12 VAL 543 2HG1 VAL 543 -6.851 0.864 1.156 461 HG13 VAL 543 3HG1 VAL 543 -7.330 0.859 -0.542 462 HG21 VAL 543 3HG2 VAL 543 -4.776 1.626 1.866 463 HG22 VAL 543 1HG2 VAL 543 -3.862 2.680 0.787 464 HG23 VAL 543 2HG2 VAL 543 -5.539 3.062 1.180 465 H GLY 544 H GLY 544 -4.701 1.217 -3.081 466 HA2 GLY 544 1HA GLY 544 -6.423 -0.761 -3.952 467 HA3 GLY 544 2HA GLY 544 -5.368 0.164 -5.010 468 H VAL 545 H VAL 545 -2.907 -0.811 -3.852 469 HA VAL 545 HA VAL 545 -2.591 -3.159 -5.420 470 HB VAL 545 HB VAL 545 -0.729 -1.951 -3.369 471 HG11 VAL 545 1HG1 VAL 545 0.971 -3.232 -4.856 472 HG12 VAL 545 2HG1 VAL 545 0.075 -4.108 -3.614 473 HG13 VAL 545 3HG1 VAL 545 -0.424 -4.213 -5.303 474 HG21 VAL 545 3HG2 VAL 545 0.041 -1.687 -6.141 475 HG22 VAL 545 1HG2 VAL 545 -1.537 -0.958 -5.841 476 HG23 VAL 545 2HG2 VAL 545 -0.136 -0.446 -4.900 477 H VAL 546 H VAL 546 -2.863 -2.556 -1.948 478 HA VAL 546 HA VAL 546 -2.253 -5.107 -1.005 479 HB VAL 546 HB VAL 546 -4.330 -3.281 0.202 480 HG11 VAL 546 1HG1 VAL 546 -2.555 -5.443 1.311 481 HG12 VAL 546 2HG1 VAL 546 -3.410 -4.281 2.326 482 HG13 VAL 546 3HG1 VAL 546 -4.317 -5.387 1.293 483 HG21 VAL 546 3HG2 VAL 546 -1.535 -2.803 -0.252 484 HG22 VAL 546 1HG2 VAL 546 -2.747 -1.747 0.473 485 HG23 VAL 546 2HG2 VAL 546 -1.863 -2.894 1.479 486 H LEU 547 H LEU 547 -5.414 -3.740 -1.899 487 HA LEU 547 HA LEU 547 -6.956 -6.000 -1.317 488 HB2 LEU 547 1HB LEU 547 -7.307 -3.675 -3.167 489 HB3 LEU 547 2HB LEU 547 -8.481 -4.989 -3.154 490 HG LEU 547 HG LEU 547 -7.766 -3.517 -0.639 491 HD11 LEU 547 1HD1 LEU 547 -10.017 -2.304 -1.227 492 HD12 LEU 547 2HD1 LEU 547 -9.511 -2.634 -2.883 493 HD13 LEU 547 3HD1 LEU 547 -8.474 -1.687 -1.817 494 HD21 LEU 547 3HD2 LEU 547 -9.910 -4.303 0.108 495 HD22 LEU 547 1HD2 LEU 547 -9.001 -5.671 -0.534 496 HD23 LEU 547 2HD2 LEU 547 -10.285 -4.938 -1.495 497 H LEU 548 H LEU 548 -5.466 -4.979 -4.379 498 HA LEU 548 HA LEU 548 -6.377 -7.062 -5.982 499 HB2 LEU 548 1HB LEU 548 -5.080 -4.929 -6.599 500 HB3 LEU 548 2HB LEU 548 -3.634 -5.883 -6.269 501 HG LEU 548 HG LEU 548 -4.202 -5.753 -8.672 502 HD11 LEU 548 1HD1 LEU 548 -3.363 -7.804 -9.018 503 HD12 LEU 548 2HD1 LEU 548 -4.655 -8.597 -8.118 504 HD13 LEU 548 3HD1 LEU 548 -3.292 -7.884 -7.257 505 HD21 LEU 548 3HD2 LEU 548 -6.781 -5.999 -7.906 506 HD22 LEU 548 1HD2 LEU 548 -6.429 -7.658 -8.393 507 HD23 LEU 548 2HD2 LEU 548 -6.197 -6.335 -9.538 508 H LEU 549 H LEU 549 -3.582 -6.895 -3.838 509 HA LEU 549 HA LEU 549 -2.358 -9.303 -4.599 510 HB2 LEU 549 1HB LEU 549 -1.499 -7.400 -3.087 511 HB3 LEU 549 2HB LEU 549 -2.322 -8.260 -1.788 512 HG LEU 549 HG LEU 549 -0.156 -9.461 -3.509 513 HD11 LEU 549 1HD1 LEU 549 0.380 -7.459 -1.892 514 HD12 LEU 549 2HD1 LEU 549 1.428 -8.875 -1.967 515 HD13 LEU 549 3HD1 LEU 549 0.257 -8.714 -0.658 516 HD21 LEU 549 3HD2 LEU 549 -0.145 -10.948 -1.330 517 HD22 LEU 549 1HD2 LEU 549 -1.252 -11.279 -2.663 518 HD23 LEU 549 2HD2 LEU 549 -1.824 -10.414 -1.237 519 H VAL 550 H VAL 550 -4.885 -8.601 -2.236 520 HA VAL 550 HA VAL 550 -5.020 -11.109 -1.003 521 HB VAL 550 HB VAL 550 -7.261 -9.142 -1.495 522 HG11 VAL 550 1HG1 VAL 550 -7.067 -11.416 0.478 523 HG12 VAL 550 2HG1 VAL 550 -8.377 -10.236 0.389 524 HG13 VAL 550 3HG1 VAL 550 -8.109 -11.363 -0.944 525 HG21 VAL 550 3HG2 VAL 550 -6.452 -7.896 0.169 526 HG22 VAL 550 1HG2 VAL 550 -6.184 -9.307 1.194 527 HG23 VAL 550 2HG2 VAL 550 -4.962 -8.827 0.016 528 H LEU 551 H LEU 551 -7.056 -9.832 -3.644 529 HA LEU 551 HA LEU 551 -8.540 -12.093 -4.167 530 HB2 LEU 551 1HB LEU 551 -7.567 -9.857 -5.900 531 HB3 LEU 551 2HB LEU 551 -8.473 -11.195 -6.605 532 HG LEU 551 HG LEU 551 -9.944 -9.327 -6.178 533 HD11 LEU 551 1HD1 LEU 551 -10.508 -11.401 -4.076 534 HD12 LEU 551 2HD1 LEU 551 -10.694 -11.712 -5.802 535 HD13 LEU 551 3HD1 LEU 551 -11.661 -10.460 -5.022 536 HD21 LEU 551 3HD2 LEU 551 -9.094 -9.573 -3.293 537 HD22 LEU 551 1HD2 LEU 551 -10.340 -8.494 -3.923 538 HD23 LEU 551 2HD2 LEU 551 -8.654 -8.264 -4.390 539 H ALA 552 H ALA 552 -5.302 -11.274 -5.314 540 HA ALA 552 HA ALA 552 -4.992 -13.392 -7.134 541 HB1 ALA 552 1HB ALA 552 -3.047 -11.702 -5.597 542 HB2 ALA 552 2HB ALA 552 -2.499 -13.013 -6.645 543 HB3 ALA 552 3HB ALA 552 -3.426 -11.673 -7.321 544 H GLY 553 H GLY 553 -3.296 -13.170 -4.005 545 HA2 GLY 553 1HA GLY 553 -2.592 -15.835 -3.805 546 HA3 GLY 553 2HA GLY 553 -2.820 -14.770 -2.426 547 H VAL 554 H VAL 554 -5.341 -14.330 -2.100 548 HA VAL 554 HA VAL 554 -6.429 -16.726 -1.144 549 HB VAL 554 HB VAL 554 -8.009 -14.241 -1.803 550 HG11 VAL 554 1HG1 VAL 554 -9.359 -14.984 0.153 551 HG12 VAL 554 2HG1 VAL 554 -9.411 -16.099 -1.216 552 HG13 VAL 554 3HG1 VAL 554 -8.408 -16.470 0.187 553 HG21 VAL 554 3HG2 VAL 554 -6.648 -13.163 -0.396 554 HG22 VAL 554 1HG2 VAL 554 -7.389 -14.129 0.880 555 HG23 VAL 554 2HG2 VAL 554 -5.880 -14.659 0.136 556 H GLY 555 H GLY 555 -6.425 -15.401 -4.292 557 HA2 GLY 555 1HA GLY 555 -8.857 -16.511 -5.260 558 HA3 GLY 555 2HA GLY 555 -7.503 -15.970 -6.241 559 H PHE 556 H PHE 556 -5.479 -17.590 -5.626 560 HA PHE 556 HA PHE 556 -6.410 -20.152 -6.646 561 HB2 PHE 556 1HB PHE 556 -4.572 -19.355 -7.874 562 HB3 PHE 556 2HB PHE 556 -3.713 -18.840 -6.427 563 HD1 PHE 556 1HD PHE 556 -4.748 -21.777 -8.404 564 HD2 PHE 556 2HD PHE 556 -2.267 -20.306 -5.273 565 HE1 PHE 556 1HE PHE 556 -3.506 -23.902 -8.394 566 HE2 PHE 556 2HE PHE 556 -1.021 -22.427 -5.259 567 HZ PHE 556 HZ PHE 556 -1.640 -24.229 -6.821 568 H PHE 557 H PHE 557 -5.202 -18.745 -3.735 569 HA PHE 557 HA PHE 557 -4.314 -21.167 -2.509 570 HB2 PHE 557 1HB PHE 557 -3.496 -18.943 -1.807 571 HB3 PHE 557 2HB PHE 557 -5.110 -18.545 -1.225 572 HD1 PHE 557 2HD PHE 557 -3.488 -21.835 -0.854 573 HD2 PHE 557 1HD PHE 557 -4.573 -18.186 1.051 574 HE1 PHE 557 2HE PHE 557 -2.935 -22.816 1.333 575 HE2 PHE 557 1HE PHE 557 -4.021 -19.161 3.240 576 HZ PHE 557 HZ PHE 557 -3.203 -21.479 3.384 577 H ILE 558 H ILE 558 -7.348 -20.041 -3.285 578 HA ILE 558 HA ILE 558 -8.664 -21.326 -1.006 579 HB ILE 558 HB ILE 558 -9.432 -19.069 -1.752 580 HG12 ILE 558 1HG1 ILE 558 -11.706 -20.947 -2.228 581 HG13 ILE 558 2HG1 ILE 558 -10.863 -21.024 -0.684 582 HG21 ILE 558 1HG2 ILE 558 -9.961 -18.620 -3.865 583 HG22 ILE 558 2HG2 ILE 558 -9.305 -20.200 -4.283 584 HG23 ILE 558 3HG2 ILE 558 -11.030 -20.018 -3.964 585 HD11 ILE 558 3HD1 ILE 558 -12.420 -18.751 -1.857 586 HD12 ILE 558 1HD1 ILE 558 -12.659 -19.584 -0.321 587 HD13 ILE 558 2HD1 ILE 558 -11.275 -18.514 -0.536 588 H HIS 559 H HIS 559 -7.838 -21.874 -4.281 589 HA HIS 559 HA HIS 559 -9.837 -23.987 -4.590 590 HB2 HIS 559 1HB HIS 559 -7.909 -22.687 -6.509 591 HB3 HIS 559 2HB HIS 559 -8.821 -24.135 -6.927 592 HD1 HIS 559 1HD HIS 559 -9.054 -21.105 -8.116 593 HD2 HIS 559 2HD HIS 559 -11.712 -23.091 -5.615 594 HE1 HIS 559 1HE HIS 559 -11.274 -19.978 -8.463 595 H ARG 560 H ARG 560 -6.681 -23.590 -3.520 596 HA ARG 560 HA ARG 560 -5.423 -25.912 -4.493 597 HB2 ARG 560 1HB ARG 560 -4.988 -24.241 -2.025 598 HB3 ARG 560 2HB ARG 560 -3.993 -25.644 -2.390 599 HG2 ARG 560 1HG ARG 560 -4.010 -24.147 -4.738 600 HG3 ARG 560 2HG ARG 560 -3.850 -22.967 -3.436 601 HD2 ARG 560 1HD ARG 560 -2.182 -25.313 -3.032 602 HD3 ARG 560 2HD ARG 560 -1.816 -24.476 -4.541 603 HE ARG 560 HE ARG 560 -1.020 -22.683 -3.331 604 HH11 ARG 560 1HH1 ARG 560 -2.629 -24.928 -1.213 605 HH12 ARG 560 2HH1 ARG 560 -2.060 -24.169 0.236 606 HH21 ARG 560 1HH2 ARG 560 -0.265 -21.674 -1.431 607 HH22 ARG 560 2HH2 ARG 560 -0.716 -22.318 0.112 608 H ARG 561 H ARG 561 -6.707 -25.373 -1.206 609 HA ARG 561 HA ARG 561 -6.637 -28.071 -0.449 610 HB2 ARG 561 1HB ARG 561 -8.463 -25.901 0.597 611 HB3 ARG 561 2HB ARG 561 -8.077 -27.411 1.411 612 HG2 ARG 561 1HG ARG 561 -5.862 -25.571 0.651 613 HG3 ARG 561 2HG ARG 561 -6.861 -25.193 2.056 614 HD2 ARG 561 1HD ARG 561 -5.152 -26.434 2.995 615 HD3 ARG 561 2HD ARG 561 -6.396 -27.655 2.729 616 HE ARG 561 HE ARG 561 -4.843 -27.661 0.456 617 HH11 ARG 561 1HH1 ARG 561 -4.346 -28.194 3.860 618 HH12 ARG 561 2HH1 ARG 561 -3.037 -29.304 3.629 619 HH21 ARG 561 1HH2 ARG 561 -3.121 -29.122 0.139 620 HH22 ARG 561 2HH2 ARG 561 -2.341 -29.832 1.511 621 H ARG 562 H ARG 562 -8.858 -26.329 -2.411 622 HA ARG 562 HA ARG 562 -10.721 -26.946 -3.557 623 HB2 ARG 562 1HB ARG 562 -10.153 -29.788 -2.727 624 HB3 ARG 562 2HB ARG 562 -11.002 -29.227 -4.161 625 HG2 ARG 562 1HG ARG 562 -8.702 -28.094 -4.700 626 HG3 ARG 562 2HG ARG 562 -8.083 -29.326 -3.600 627 HD2 ARG 562 1HD ARG 562 -9.936 -30.063 -5.834 628 HD3 ARG 562 2HD ARG 562 -8.211 -29.844 -6.133 629 HE ARG 562 HE ARG 562 -8.226 -31.544 -4.049 630 HH11 ARG 562 1HH1 ARG 562 -9.909 -31.549 -7.097 631 HH12 ARG 562 2HH1 ARG 562 -9.983 -33.277 -7.201 632 HH21 ARG 562 1HH2 ARG 562 -8.316 -33.818 -4.174 633 HH22 ARG 562 2HH2 ARG 562 -9.078 -34.566 -5.537 634 H LYS 563 H LYS 563 -11.868 -25.822 -1.820 635 HA LYS 563 HA LYS 563 -12.958 -27.147 0.411 636 HB2 LYS 563 1HB LYS 563 -14.231 -24.805 -0.999 637 HB3 LYS 563 2HB LYS 563 -14.333 -25.224 0.706 638 HG2 LYS 563 1HG LYS 563 -11.631 -24.920 0.308 639 HG3 LYS 563 2HG LYS 563 -12.333 -23.671 -0.722 640 HD2 LYS 563 1HD LYS 563 -13.562 -22.761 1.142 641 HD3 LYS 563 2HD LYS 563 -13.028 -24.082 2.186 642 HE2 LYS 563 1HE LYS 563 -10.747 -22.828 1.000 643 HE3 LYS 563 2HE LYS 563 -11.772 -21.595 1.732 644 HZ1 LYS 563 3HZ LYS 563 -11.489 -23.871 3.423 645 HZ2 LYS 563 1HZ LYS 563 -11.173 -22.242 3.754 646 HZ3 LYS 563 2HZ LYS 563 -9.984 -23.204 3.034 Start of MODEL 8 1 H1 GLU 523 H GLU 523 12.049 -7.124 -7.316 2 HA GLU 523 HA GLU 523 12.449 -5.920 -5.374 3 HB2 GLU 523 1HB GLU 523 13.637 -4.653 -7.746 4 HB3 GLU 523 2HB GLU 523 13.559 -3.611 -6.333 5 HG2 GLU 523 1HG GLU 523 14.796 -6.353 -6.376 6 HG3 GLU 523 2HG GLU 523 15.686 -4.838 -6.531 7 H PHE 524 H PHE 524 11.954 -4.115 -4.035 8 HA PHE 524 HA PHE 524 9.773 -2.411 -5.039 9 HB2 PHE 524 1HB PHE 524 9.389 -4.434 -3.245 10 HB3 PHE 524 2HB PHE 524 9.683 -3.071 -2.170 11 HD1 PHE 524 1HD PHE 524 8.148 -1.201 -2.084 12 HD2 PHE 524 2HD PHE 524 7.432 -4.520 -4.649 13 HE1 PHE 524 1HE PHE 524 5.819 -0.463 -2.382 14 HE2 PHE 524 2HE PHE 524 5.103 -3.788 -4.953 15 HZ PHE 524 HZ PHE 524 4.294 -1.756 -3.819 16 H GLN 525 H GLN 525 9.748 -0.300 -4.349 17 HA GLN 525 HA GLN 525 11.834 0.551 -2.472 18 HB2 GLN 525 1HB GLN 525 11.315 1.905 -5.122 19 HB3 GLN 525 2HB GLN 525 12.509 2.377 -3.921 20 HG2 GLN 525 1HG GLN 525 13.907 1.217 -5.229 21 HG3 GLN 525 2HG GLN 525 13.258 -0.169 -4.355 22 HE21 GLN 525 2HE2 GLN 525 13.121 -1.759 -5.778 23 HE22 GLN 525 1HE2 GLN 525 12.377 -1.660 -7.334 24 H THR 526 H THR 526 11.485 3.223 -2.484 25 HA THR 526 HA THR 526 8.616 3.658 -2.004 26 HB THR 526 HB THR 526 9.061 4.847 0.055 27 HG1 THR 526 1HG THR 526 11.141 5.079 0.845 28 HG21 THR 526 3HG2 THR 526 8.717 2.438 0.241 29 HG22 THR 526 1HG2 THR 526 9.856 2.997 1.466 30 HG23 THR 526 2HG2 THR 526 10.445 2.162 0.028 31 H LEU 527 H LEU 527 8.166 6.060 -1.649 32 HA LEU 527 HA LEU 527 9.716 7.580 -3.634 33 HB2 LEU 527 1HB LEU 527 6.878 7.936 -2.685 34 HB3 LEU 527 2HB LEU 527 7.694 8.992 -3.834 35 HG LEU 527 HG LEU 527 7.567 6.110 -4.512 36 HD11 LEU 527 1HD1 LEU 527 5.344 6.276 -3.785 37 HD12 LEU 527 2HD1 LEU 527 5.275 6.556 -5.524 38 HD13 LEU 527 3HD1 LEU 527 5.173 7.917 -4.407 39 HD21 LEU 527 3HD2 LEU 527 7.665 8.741 -5.879 40 HD22 LEU 527 1HD2 LEU 527 6.864 7.411 -6.716 41 HD23 LEU 527 2HD2 LEU 527 8.549 7.251 -6.217 42 H SER 528 H SER 528 9.161 10.111 -3.159 43 HA SER 528 HA SER 528 9.822 10.601 -0.332 44 HB2 SER 528 1HB SER 528 11.292 12.507 -1.235 45 HB3 SER 528 2HB SER 528 11.911 10.864 -1.403 46 HG SER 528 HG SER 528 12.169 11.728 -3.380 47 HA PRO 529 HA PRO 529 6.175 13.156 -1.444 48 HB2 PRO 529 1HB PRO 529 5.046 12.983 1.020 49 HB3 PRO 529 2HB PRO 529 4.829 11.748 -0.226 50 HG2 PRO 529 1HG PRO 529 6.698 11.773 2.114 51 HG3 PRO 529 2HG PRO 529 5.702 10.445 1.493 52 HD2 PRO 529 1HD PRO 529 8.349 10.651 0.962 53 HD3 PRO 529 2HD PRO 529 7.197 9.940 -0.187 54 H GLU 530 H GLU 530 5.351 15.155 -0.394 55 HA GLU 530 HA GLU 530 6.878 16.422 1.656 56 HB2 GLU 530 1HB GLU 530 7.616 18.327 0.094 57 HB3 GLU 530 2HB GLU 530 8.557 16.842 0.081 58 HG2 GLU 530 1HG GLU 530 7.503 16.128 -1.955 59 HG3 GLU 530 2HG GLU 530 6.404 17.505 -1.913 60 H GLY 531 H GLY 531 5.310 17.429 2.719 61 HA2 GLY 531 1HA GLY 531 3.875 19.598 1.770 62 HA3 GLY 531 2HA GLY 531 2.848 18.193 1.514 63 H SER 532 H SER 532 1.298 18.375 3.013 64 HA SER 532 HA SER 532 1.480 19.562 5.505 65 HB2 SER 532 1HB SER 532 -0.312 17.272 4.661 66 HB3 SER 532 2HB SER 532 -0.555 18.276 6.090 67 HG SER 532 HG SER 532 -1.720 18.851 4.061 68 H GLY 533 H GLY 533 1.924 16.141 4.651 69 HA2 GLY 533 1HA GLY 533 3.608 14.809 5.715 70 HA3 GLY 533 2HA GLY 533 3.449 15.817 7.147 71 H ASN 534 H ASN 534 0.592 15.781 7.267 72 HA ASN 534 HA ASN 534 0.200 13.460 8.799 73 HB2 ASN 534 1HB ASN 534 -1.880 15.303 7.600 74 HB3 ASN 534 2HB ASN 534 -2.158 14.152 8.905 75 HD21 ASN 534 2HD2 ASN 534 -2.247 15.072 10.808 76 HD22 ASN 534 1HD2 ASN 534 -1.344 16.453 11.324 77 H LEU 535 H LEU 535 -0.236 14.109 5.427 78 HA LEU 535 HA LEU 535 -1.923 11.812 4.957 79 HB2 LEU 535 1HB LEU 535 -0.508 13.691 3.073 80 HB3 LEU 535 2HB LEU 535 -1.588 12.395 2.562 81 HG LEU 535 HG LEU 535 -2.878 14.346 2.444 82 HD11 LEU 535 1HD1 LEU 535 -3.987 12.474 3.602 83 HD12 LEU 535 2HD1 LEU 535 -4.596 14.046 4.116 84 HD13 LEU 535 3HD1 LEU 535 -3.479 13.154 5.148 85 HD21 LEU 535 3HD2 LEU 535 -2.242 15.161 5.250 86 HD22 LEU 535 1HD2 LEU 535 -2.840 16.135 3.907 87 HD23 LEU 535 2HD2 LEU 535 -1.159 15.601 3.928 88 H ALA 536 H ALA 536 1.429 12.460 5.172 89 HA ALA 536 HA ALA 536 2.448 10.483 3.440 90 HB1 ALA 536 1HB ALA 536 3.684 12.414 4.579 91 HB2 ALA 536 2HB ALA 536 3.818 11.336 5.969 92 HB3 ALA 536 3HB ALA 536 4.531 10.875 4.424 93 H VAL 537 H VAL 537 1.319 10.378 6.764 94 HA VAL 537 HA VAL 537 2.341 7.928 7.577 95 HB VAL 537 HB VAL 537 -0.408 8.963 8.275 96 HG11 VAL 537 1HG1 VAL 537 1.508 7.063 9.603 97 HG12 VAL 537 2HG1 VAL 537 0.177 7.833 10.472 98 HG13 VAL 537 3HG1 VAL 537 -0.158 6.770 9.104 99 HG21 VAL 537 3HG2 VAL 537 0.950 9.906 10.287 100 HG22 VAL 537 1HG2 VAL 537 2.310 9.821 9.170 101 HG23 VAL 537 2HG2 VAL 537 0.901 10.802 8.771 102 H ILE 538 H ILE 538 -0.140 8.628 5.282 103 HA ILE 538 HA ILE 538 -1.605 6.245 5.338 104 HB ILE 538 HB ILE 538 -0.998 7.919 2.901 105 HG12 ILE 538 1HG1 ILE 538 -3.336 8.166 4.800 106 HG13 ILE 538 2HG1 ILE 538 -1.914 9.200 4.864 107 HG21 ILE 538 1HG2 ILE 538 -1.988 5.980 2.106 108 HG22 ILE 538 2HG2 ILE 538 -3.023 5.807 3.524 109 HG23 ILE 538 3HG2 ILE 538 -3.368 7.057 2.328 110 HD11 ILE 538 3HD1 ILE 538 -4.143 9.147 2.919 111 HD12 ILE 538 1HD1 ILE 538 -3.277 10.513 3.621 112 HD13 ILE 538 2HD1 ILE 538 -2.540 9.576 2.320 113 H GLY 539 H GLY 539 1.011 7.136 3.071 114 HA2 GLY 539 1HA GLY 539 1.269 4.612 1.892 115 HA3 GLY 539 2HA GLY 539 2.522 5.843 1.928 116 H GLY 540 H GLY 540 2.962 6.002 4.685 117 HA2 GLY 540 1HA GLY 540 4.869 4.051 5.110 118 HA3 GLY 540 2HA GLY 540 4.108 4.979 6.394 119 H VAL 541 H VAL 541 1.550 4.104 6.404 120 HA VAL 541 HA VAL 541 1.828 1.509 7.599 121 HB VAL 541 HB VAL 541 -0.663 3.148 7.108 122 HG11 VAL 541 1HG1 VAL 541 -1.080 1.518 9.299 123 HG12 VAL 541 2HG1 VAL 541 -1.740 1.280 7.679 124 HG13 VAL 541 3HG1 VAL 541 -0.245 0.471 8.152 125 HG21 VAL 541 3HG2 VAL 541 0.612 4.442 8.554 126 HG22 VAL 541 1HG2 VAL 541 -0.374 3.481 9.658 127 HG23 VAL 541 2HG2 VAL 541 1.307 3.035 9.361 128 H ALA 542 H ALA 542 -0.134 2.770 4.900 129 HA ALA 542 HA ALA 542 -1.276 0.428 4.028 130 HB1 ALA 542 1HB ALA 542 -0.284 2.308 1.953 131 HB2 ALA 542 2HB ALA 542 -1.870 1.555 2.135 132 HB3 ALA 542 3HB ALA 542 -1.417 2.919 3.158 133 H VAL 543 H VAL 543 1.709 1.838 2.664 134 HA VAL 543 HA VAL 543 2.417 -0.326 1.068 135 HB VAL 543 HB VAL 543 4.234 1.662 2.437 136 HG11 VAL 543 1HG1 VAL 543 4.844 -0.676 0.896 137 HG12 VAL 543 2HG1 VAL 543 5.358 0.768 0.022 138 HG13 VAL 543 3HG1 VAL 543 5.942 0.474 1.661 139 HG21 VAL 543 3HG2 VAL 543 3.507 1.756 -0.452 140 HG22 VAL 543 1HG2 VAL 543 2.350 2.345 0.740 141 HG23 VAL 543 2HG2 VAL 543 3.956 3.065 0.641 142 H GLY 544 H GLY 544 3.468 0.427 4.389 143 HA2 GLY 544 1HA GLY 544 5.193 -1.690 4.809 144 HA3 GLY 544 2HA GLY 544 4.222 -0.946 6.070 145 H VAL 545 H VAL 545 1.676 -1.676 4.936 146 HA VAL 545 HA VAL 545 1.402 -4.256 6.092 147 HB VAL 545 HB VAL 545 -0.553 -2.689 4.402 148 HG11 VAL 545 1HG1 VAL 545 -2.216 -4.171 5.670 149 HG12 VAL 545 2HG1 VAL 545 -1.321 -4.898 4.334 150 HG13 VAL 545 3HG1 VAL 545 -0.835 -5.214 6.001 151 HG21 VAL 545 3HG2 VAL 545 -1.064 -1.490 6.214 152 HG22 VAL 545 1HG2 VAL 545 -1.102 -2.921 7.243 153 HG23 VAL 545 2HG2 VAL 545 0.429 -2.107 6.922 154 H VAL 546 H VAL 546 1.507 -3.071 2.769 155 HA VAL 546 HA VAL 546 0.774 -5.415 1.444 156 HB VAL 546 HB VAL 546 2.814 -3.435 0.435 157 HG11 VAL 546 1HG1 VAL 546 0.931 -5.364 -0.902 158 HG12 VAL 546 2HG1 VAL 546 1.726 -4.045 -1.763 159 HG13 VAL 546 3HG1 VAL 546 2.690 -5.312 -1.003 160 HG21 VAL 546 3HG2 VAL 546 1.252 -1.856 0.539 161 HG22 VAL 546 1HG2 VAL 546 0.286 -2.802 -0.596 162 HG23 VAL 546 2HG2 VAL 546 0.061 -3.009 1.141 163 H LEU 547 H LEU 547 4.025 -4.243 2.300 164 HA LEU 547 HA LEU 547 5.474 -6.391 1.264 165 HB2 LEU 547 1HB LEU 547 5.991 -4.415 3.451 166 HB3 LEU 547 2HB LEU 547 7.132 -5.722 3.145 167 HG LEU 547 HG LEU 547 7.878 -3.697 2.061 168 HD11 LEU 547 1HD1 LEU 547 6.988 -5.067 -0.352 169 HD12 LEU 547 2HD1 LEU 547 7.651 -6.155 0.869 170 HD13 LEU 547 3HD1 LEU 547 8.617 -4.806 0.272 171 HD21 LEU 547 3HD2 LEU 547 5.684 -2.615 1.835 172 HD22 LEU 547 1HD2 LEU 547 5.262 -3.757 0.559 173 HD23 LEU 547 2HD2 LEU 547 6.583 -2.612 0.317 174 H LEU 548 H LEU 548 4.176 -5.897 4.536 175 HA LEU 548 HA LEU 548 5.153 -8.230 5.705 176 HB2 LEU 548 1HB LEU 548 3.939 -6.222 6.758 177 HB3 LEU 548 2HB LEU 548 2.457 -7.090 6.361 178 HG LEU 548 HG LEU 548 3.182 -7.376 8.711 179 HD11 LEU 548 1HD1 LEU 548 2.274 -9.422 8.752 180 HD12 LEU 548 2HD1 LEU 548 3.503 -10.096 7.680 181 HD13 LEU 548 3HD1 LEU 548 2.128 -9.220 7.005 182 HD21 LEU 548 3HD2 LEU 548 5.365 -9.188 7.821 183 HD22 LEU 548 1HD2 LEU 548 5.175 -8.300 9.333 184 HD23 LEU 548 2HD2 LEU 548 5.682 -7.453 7.872 185 H LEU 549 H LEU 549 2.223 -7.673 3.816 186 HA LEU 549 HA LEU 549 0.994 -10.155 4.230 187 HB2 LEU 549 1HB LEU 549 0.110 -8.019 3.091 188 HB3 LEU 549 2HB LEU 549 0.843 -8.673 1.628 189 HG LEU 549 HG LEU 549 -1.270 -10.086 3.253 190 HD11 LEU 549 1HD1 LEU 549 -1.821 -7.853 1.978 191 HD12 LEU 549 2HD1 LEU 549 -2.905 -9.242 1.898 192 HD13 LEU 549 3HD1 LEU 549 -1.792 -8.914 0.569 193 HD21 LEU 549 3HD2 LEU 549 -1.420 -11.233 0.885 194 HD22 LEU 549 1HD2 LEU 549 -0.254 -11.776 2.093 195 HD23 LEU 549 2HD2 LEU 549 0.264 -10.716 0.781 196 H VAL 550 H VAL 550 3.403 -9.118 1.862 197 HA VAL 550 HA VAL 550 3.415 -11.409 0.255 198 HB VAL 550 HB VAL 550 5.718 -9.562 0.894 199 HG11 VAL 550 1HG1 VAL 550 5.353 -11.506 -1.384 200 HG12 VAL 550 2HG1 VAL 550 6.683 -10.359 -1.213 201 HG13 VAL 550 3HG1 VAL 550 6.492 -11.670 -0.048 202 HG21 VAL 550 3HG2 VAL 550 4.831 -8.063 -0.501 203 HG22 VAL 550 1HG2 VAL 550 4.467 -9.296 -1.709 204 HG23 VAL 550 2HG2 VAL 550 3.335 -8.991 -0.392 205 H LEU 551 H LEU 551 5.663 -10.562 2.896 206 HA LEU 551 HA LEU 551 7.108 -12.910 2.977 207 HB2 LEU 551 1HB LEU 551 6.357 -10.912 5.073 208 HB3 LEU 551 2HB LEU 551 7.270 -12.355 5.510 209 HG LEU 551 HG LEU 551 8.769 -10.485 5.218 210 HD11 LEU 551 1HD1 LEU 551 9.251 -12.043 2.734 211 HD12 LEU 551 2HD1 LEU 551 9.208 -12.908 4.270 212 HD13 LEU 551 3HD1 LEU 551 10.365 -11.599 4.027 213 HD21 LEU 551 3HD2 LEU 551 9.007 -9.348 3.078 214 HD22 LEU 551 1HD2 LEU 551 7.372 -9.152 3.712 215 HD23 LEU 551 2HD2 LEU 551 7.680 -10.300 2.409 216 H ALA 552 H ALA 552 3.925 -12.233 4.267 217 HA ALA 552 HA ALA 552 3.668 -14.495 5.927 218 HB1 ALA 552 1HB ALA 552 1.867 -13.306 6.456 219 HB2 ALA 552 2HB ALA 552 1.971 -12.373 4.962 220 HB3 ALA 552 3HB ALA 552 1.113 -13.914 4.981 221 H GLY 553 H GLY 553 1.929 -14.008 2.851 222 HA2 GLY 553 1HA GLY 553 1.291 -16.695 2.460 223 HA3 GLY 553 2HA GLY 553 1.354 -15.482 1.189 224 H VAL 554 H VAL 554 3.897 -14.838 0.880 225 HA VAL 554 HA VAL 554 5.008 -16.974 -0.532 226 HB VAL 554 HB VAL 554 6.463 -14.563 0.562 227 HG11 VAL 554 1HG1 VAL 554 7.154 -16.608 -1.522 228 HG12 VAL 554 2HG1 VAL 554 7.880 -14.999 -1.526 229 HG13 VAL 554 3HG1 VAL 554 8.111 -16.067 -0.144 230 HG21 VAL 554 3HG2 VAL 554 4.502 -14.880 -1.575 231 HG22 VAL 554 1HG2 VAL 554 5.083 -13.419 -0.775 232 HG23 VAL 554 2HG2 VAL 554 6.002 -14.119 -2.107 233 H GLY 555 H GLY 555 5.470 -15.926 2.786 234 HA2 GLY 555 1HA GLY 555 7.761 -17.547 3.301 235 HA3 GLY 555 2HA GLY 555 6.733 -16.789 4.507 236 H PHE 556 H PHE 556 4.360 -18.169 3.229 237 HA PHE 556 HA PHE 556 4.607 -20.616 4.782 238 HB2 PHE 556 1HB PHE 556 2.592 -19.439 5.203 239 HB3 PHE 556 2HB PHE 556 2.281 -19.204 3.486 240 HD1 PHE 556 1HD PHE 556 2.118 -21.551 6.281 241 HD2 PHE 556 2HD PHE 556 1.335 -20.968 2.138 242 HE1 PHE 556 1HE PHE 556 0.721 -23.577 6.264 243 HE2 PHE 556 2HE PHE 556 -0.065 -22.993 2.115 244 HZ PHE 556 HZ PHE 556 -0.374 -24.298 4.179 245 H PHE 557 H PHE 557 4.281 -19.582 1.457 246 HA PHE 557 HA PHE 557 3.601 -22.052 0.304 247 HB2 PHE 557 1HB PHE 557 4.999 -19.612 -0.777 248 HB3 PHE 557 2HB PHE 557 4.689 -21.026 -1.779 249 HD1 PHE 557 2HD PHE 557 2.030 -21.850 -0.910 250 HD2 PHE 557 1HD PHE 557 3.606 -17.950 -1.567 251 HE1 PHE 557 2HE PHE 557 -0.235 -21.018 -1.383 252 HE2 PHE 557 1HE PHE 557 1.341 -17.112 -2.040 253 HZ PHE 557 HZ PHE 557 -0.583 -18.647 -1.949 254 H ILE 558 H ILE 558 6.489 -20.983 1.743 255 HA ILE 558 HA ILE 558 8.120 -22.959 0.328 256 HB ILE 558 HB ILE 558 9.119 -20.756 0.573 257 HG12 ILE 558 1HG1 ILE 558 10.764 -22.189 2.546 258 HG13 ILE 558 2HG1 ILE 558 10.329 -23.150 1.136 259 HG21 ILE 558 1HG2 ILE 558 8.013 -19.941 2.528 260 HG22 ILE 558 2HG2 ILE 558 8.722 -21.212 3.525 261 HG23 ILE 558 3HG2 ILE 558 9.747 -19.945 2.850 262 HD11 ILE 558 3HD1 ILE 558 12.470 -21.495 1.297 263 HD12 ILE 558 1HD1 ILE 558 11.702 -22.009 -0.206 264 HD13 ILE 558 2HD1 ILE 558 11.281 -20.455 0.514 265 H HIS 559 H HIS 559 6.659 -22.309 3.420 266 HA HIS 559 HA HIS 559 7.617 -24.923 4.368 267 HB2 HIS 559 1HB HIS 559 7.465 -22.358 5.955 268 HB3 HIS 559 2HB HIS 559 7.688 -23.945 6.683 269 HD1 HIS 559 1HD HIS 559 9.741 -25.015 4.547 270 HD2 HIS 559 2HD HIS 559 9.967 -21.360 6.511 271 HE1 HIS 559 1HE HIS 559 12.168 -24.358 4.473 272 H ARG 560 H ARG 560 5.298 -24.935 3.140 273 HA ARG 560 HA ARG 560 3.111 -24.365 4.948 274 HB2 ARG 560 1HB ARG 560 1.714 -25.354 3.122 275 HB3 ARG 560 2HB ARG 560 2.696 -23.984 2.621 276 HG2 ARG 560 1HG ARG 560 3.974 -26.596 2.256 277 HG3 ARG 560 2HG ARG 560 2.522 -26.337 1.288 278 HD2 ARG 560 1HD ARG 560 3.451 -24.597 0.109 279 HD3 ARG 560 2HD ARG 560 4.573 -24.182 1.405 280 HE ARG 560 HE ARG 560 6.092 -25.632 0.502 281 HH11 ARG 560 1HH1 ARG 560 2.947 -26.311 -0.826 282 HH12 ARG 560 2HH1 ARG 560 3.540 -27.448 -1.990 283 HH21 ARG 560 1HH2 ARG 560 6.886 -27.128 -1.026 284 HH22 ARG 560 2HH2 ARG 560 5.780 -27.914 -2.102 285 H ARG 561 H ARG 561 5.090 -27.061 4.058 286 HA ARG 561 HA ARG 561 3.581 -28.743 5.931 287 HB2 ARG 561 1HB ARG 561 4.531 -29.541 3.177 288 HB3 ARG 561 2HB ARG 561 4.026 -30.696 4.404 289 HG2 ARG 561 1HG ARG 561 1.893 -29.034 4.374 290 HG3 ARG 561 2HG ARG 561 2.422 -28.935 2.694 291 HD2 ARG 561 1HD ARG 561 2.123 -31.582 4.066 292 HD3 ARG 561 2HD ARG 561 0.729 -30.765 3.360 293 HE ARG 561 HE ARG 561 2.680 -30.810 1.403 294 HH11 ARG 561 1HH1 ARG 561 0.858 -33.126 3.258 295 HH12 ARG 561 2HH1 ARG 561 0.888 -34.337 2.019 296 HH21 ARG 561 1HH2 ARG 561 2.727 -32.398 -0.235 297 HH22 ARG 561 2HH2 ARG 561 1.952 -33.922 0.033 298 H ARG 562 H ARG 562 6.114 -27.182 6.044 299 HA ARG 562 HA ARG 562 8.249 -27.386 6.809 300 HB2 ARG 562 1HB ARG 562 7.164 -30.000 7.874 301 HB3 ARG 562 2HB ARG 562 8.655 -29.230 8.399 302 HG2 ARG 562 1HG ARG 562 7.520 -28.098 9.918 303 HG3 ARG 562 2HG ARG 562 6.599 -27.310 8.634 304 HD2 ARG 562 1HD ARG 562 4.863 -28.280 9.720 305 HD3 ARG 562 2HD ARG 562 5.312 -29.647 8.702 306 HE ARG 562 HE ARG 562 6.695 -29.640 11.204 307 HH11 ARG 562 1HH1 ARG 562 3.708 -30.491 9.630 308 HH12 ARG 562 2HH1 ARG 562 3.305 -31.725 10.775 309 HH21 ARG 562 1HH2 ARG 562 6.172 -31.263 12.721 310 HH22 ARG 562 2HH2 ARG 562 4.705 -32.163 12.534 311 H LYS 563 H LYS 563 7.909 -28.155 4.145 312 HA LYS 563 HA LYS 563 9.796 -30.404 3.889 313 HB2 LYS 563 1HB LYS 563 7.616 -29.430 2.050 314 HB3 LYS 563 2HB LYS 563 8.893 -30.508 1.500 315 HG2 LYS 563 1HG LYS 563 7.087 -31.139 3.818 316 HG3 LYS 563 2HG LYS 563 6.743 -31.617 2.153 317 HD2 LYS 563 1HD LYS 563 9.100 -32.666 2.202 318 HD3 LYS 563 2HD LYS 563 8.964 -32.519 3.956 319 HE2 LYS 563 1HE LYS 563 6.668 -33.696 3.599 320 HE3 LYS 563 2HE LYS 563 7.371 -34.196 2.060 321 HZ1 LYS 563 3HZ LYS 563 9.329 -34.766 3.832 322 HZ2 LYS 563 1HZ LYS 563 8.207 -35.881 3.232 323 HZ3 LYS 563 2HZ LYS 563 7.937 -35.128 4.722 324 H1 GLU 523 H GLU 523 -24.182 -3.980 -6.267 325 HA GLU 523 HA GLU 523 -23.661 -4.442 -8.847 326 HB2 GLU 523 1HB GLU 523 -25.982 -2.644 -8.640 327 HB3 GLU 523 2HB GLU 523 -24.719 -2.086 -9.728 328 HG2 GLU 523 1HG GLU 523 -25.857 -3.317 -11.221 329 HG3 GLU 523 2HG GLU 523 -24.904 -4.632 -10.537 330 H PHE 524 H PHE 524 -21.787 -3.474 -9.405 331 HA PHE 524 HA PHE 524 -20.895 -1.242 -7.710 332 HB2 PHE 524 1HB PHE 524 -18.624 -1.978 -8.128 333 HB3 PHE 524 2HB PHE 524 -19.579 -3.344 -7.560 334 HD1 PHE 524 2HD PHE 524 -17.815 -1.879 -10.403 335 HD2 PHE 524 1HD PHE 524 -20.123 -5.182 -9.031 336 HE1 PHE 524 2HE PHE 524 -17.134 -3.172 -12.381 337 HE2 PHE 524 1HE PHE 524 -19.444 -6.481 -11.009 338 HZ PHE 524 HZ PHE 524 -17.948 -5.476 -12.686 339 H GLN 525 H GLN 525 -20.101 0.613 -8.599 340 HA GLN 525 HA GLN 525 -20.032 0.786 -11.534 341 HB2 GLN 525 1HB GLN 525 -21.162 2.907 -9.703 342 HB3 GLN 525 2HB GLN 525 -21.105 2.960 -11.459 343 HG2 GLN 525 1HG GLN 525 -22.450 0.583 -10.550 344 HG3 GLN 525 2HG GLN 525 -23.184 2.031 -9.862 345 HE21 GLN 525 2HE2 GLN 525 -22.498 0.263 -12.765 346 HE22 GLN 525 1HE2 GLN 525 -23.533 1.169 -13.809 347 H THR 526 H THR 526 -19.229 3.336 -11.886 348 HA THR 526 HA THR 526 -16.846 3.726 -10.225 349 HB THR 526 HB THR 526 -15.525 4.206 -12.329 350 HG1 THR 526 1HG THR 526 -17.732 2.826 -13.498 351 HG21 THR 526 3HG2 THR 526 -14.720 2.058 -12.400 352 HG22 THR 526 1HG2 THR 526 -16.330 1.338 -12.396 353 HG23 THR 526 2HG2 THR 526 -15.649 1.985 -10.902 354 H LEU 527 H LEU 527 -16.122 5.843 -10.088 355 HA LEU 527 HA LEU 527 -17.839 7.860 -11.380 356 HB2 LEU 527 1HB LEU 527 -17.336 9.275 -9.360 357 HB3 LEU 527 2HB LEU 527 -18.393 7.890 -9.092 358 HG LEU 527 HG LEU 527 -15.492 7.544 -8.544 359 HD11 LEU 527 1HD1 LEU 527 -15.339 8.988 -6.862 360 HD12 LEU 527 2HD1 LEU 527 -16.912 8.518 -6.219 361 HD13 LEU 527 3HD1 LEU 527 -16.808 9.740 -7.485 362 HD21 LEU 527 3HD2 LEU 527 -17.645 5.944 -8.275 363 HD22 LEU 527 1HD2 LEU 527 -17.599 6.681 -6.674 364 HD23 LEU 527 2HD2 LEU 527 -16.192 5.810 -7.285 365 H SER 528 H SER 528 -16.848 9.919 -11.826 366 HA SER 528 HA SER 528 -14.408 9.750 -13.139 367 HB2 SER 528 1HB SER 528 -14.460 12.332 -12.920 368 HB3 SER 528 2HB SER 528 -15.777 11.542 -13.786 369 HG SER 528 HG SER 528 -16.942 12.669 -12.427 370 HA PRO 529 HA PRO 529 -11.244 10.157 -10.129 371 HB2 PRO 529 1HB PRO 529 -9.432 11.705 -11.427 372 HB3 PRO 529 2HB PRO 529 -9.731 10.018 -11.854 373 HG2 PRO 529 1HG PRO 529 -10.774 12.512 -13.141 374 HG3 PRO 529 2HG PRO 529 -10.152 11.035 -13.903 375 HD2 PRO 529 1HD PRO 529 -12.801 11.545 -13.657 376 HD3 PRO 529 2HD PRO 529 -12.136 9.899 -13.609 377 H GLU 530 H GLU 530 -9.993 11.708 -8.823 378 HA GLU 530 HA GLU 530 -11.063 14.431 -8.797 379 HB2 GLU 530 1HB GLU 530 -10.866 12.808 -6.266 380 HB3 GLU 530 2HB GLU 530 -11.610 14.385 -6.482 381 HG2 GLU 530 1HG GLU 530 -13.077 12.950 -8.209 382 HG3 GLU 530 2HG GLU 530 -12.670 11.696 -7.038 383 H GLY 531 H GLY 531 -9.226 15.516 -9.213 384 HA2 GLY 531 1HA GLY 531 -6.740 14.711 -7.906 385 HA3 GLY 531 2HA GLY 531 -6.901 15.900 -9.191 386 H SER 532 H SER 532 -7.259 15.328 -5.749 387 HA SER 532 HA SER 532 -6.732 18.146 -5.255 388 HB2 SER 532 1HB SER 532 -8.611 18.410 -3.717 389 HB3 SER 532 2HB SER 532 -9.201 17.982 -5.323 390 HG SER 532 HG SER 532 -10.119 16.333 -4.426 391 H GLY 533 H GLY 533 -5.330 15.580 -4.892 392 HA2 GLY 533 1HA GLY 533 -4.461 16.036 -2.178 393 HA3 GLY 533 2HA GLY 533 -5.267 14.491 -2.409 394 H ASN 534 H ASN 534 -2.434 16.390 -3.105 395 HA ASN 534 HA ASN 534 -1.144 14.705 -4.919 396 HB2 ASN 534 1HB ASN 534 -0.158 16.686 -2.885 397 HB3 ASN 534 2HB ASN 534 0.981 15.725 -3.823 398 HD21 ASN 534 2HD2 ASN 534 -1.133 18.396 -3.802 399 HD22 ASN 534 1HD2 ASN 534 -0.881 18.904 -5.435 400 H LEU 535 H LEU 535 -1.319 14.608 -1.404 401 HA LEU 535 HA LEU 535 0.450 12.293 -1.305 402 HB2 LEU 535 1HB LEU 535 -0.929 13.863 0.867 403 HB3 LEU 535 2HB LEU 535 0.129 12.482 1.153 404 HG LEU 535 HG LEU 535 1.453 14.364 1.584 405 HD11 LEU 535 1HD1 LEU 535 3.169 14.305 -0.106 406 HD12 LEU 535 2HD1 LEU 535 2.036 13.638 -1.282 407 HD13 LEU 535 3HD1 LEU 535 2.515 12.682 0.120 408 HD21 LEU 535 3HD2 LEU 535 -0.216 15.908 0.395 409 HD22 LEU 535 1HD2 LEU 535 0.755 15.619 -1.048 410 HD23 LEU 535 2HD2 LEU 535 1.491 16.359 0.374 411 H ALA 536 H ALA 536 -2.888 13.032 -1.401 412 HA ALA 536 HA ALA 536 -3.945 10.816 -0.014 413 HB1 ALA 536 1HB ALA 536 -5.297 12.107 -2.362 414 HB2 ALA 536 2HB ALA 536 -6.022 11.403 -0.916 415 HB3 ALA 536 3HB ALA 536 -5.147 12.931 -0.808 416 H VAL 537 H VAL 537 -2.841 11.246 -3.324 417 HA VAL 537 HA VAL 537 -3.907 8.977 -4.515 418 HB VAL 537 HB VAL 537 -1.150 10.078 -5.067 419 HG11 VAL 537 1HG1 VAL 537 -1.773 9.331 -7.411 420 HG12 VAL 537 2HG1 VAL 537 -1.440 8.052 -6.240 421 HG13 VAL 537 3HG1 VAL 537 -3.105 8.446 -6.667 422 HG21 VAL 537 3HG2 VAL 537 -3.864 11.116 -5.749 423 HG22 VAL 537 1HG2 VAL 537 -2.414 11.993 -5.261 424 HG23 VAL 537 2HG2 VAL 537 -2.541 11.337 -6.893 425 H ILE 538 H ILE 538 -1.391 9.259 -2.169 426 HA ILE 538 HA ILE 538 0.044 6.904 -2.632 427 HB ILE 538 HB ILE 538 -0.536 8.151 0.056 428 HG12 ILE 538 1HG1 ILE 538 1.800 8.684 -1.786 429 HG13 ILE 538 2HG1 ILE 538 0.391 9.732 -1.667 430 HG21 ILE 538 1HG2 ILE 538 0.432 6.097 0.513 431 HG22 ILE 538 2HG2 ILE 538 1.458 6.147 -0.919 432 HG23 ILE 538 3HG2 ILE 538 1.825 7.176 0.464 433 HD11 ILE 538 3HD1 ILE 538 1.026 9.668 0.900 434 HD12 ILE 538 1HD1 ILE 538 2.622 9.323 0.233 435 HD13 ILE 538 2HD1 ILE 538 1.774 10.800 -0.227 436 H GLY 539 H GLY 539 -2.560 7.424 -0.238 437 HA2 GLY 539 1HA GLY 539 -2.833 4.727 0.484 438 HA3 GLY 539 2HA GLY 539 -4.065 5.963 0.693 439 H GLY 540 H GLY 540 -4.503 6.619 -2.007 440 HA2 GLY 540 1HA GLY 540 -6.472 4.825 -2.740 441 HA3 GLY 540 2HA GLY 540 -5.687 5.936 -3.853 442 H VAL 541 H VAL 541 -3.169 5.008 -4.063 443 HA VAL 541 HA VAL 541 -3.531 2.650 -5.657 444 HB VAL 541 HB VAL 541 -0.972 4.095 -4.952 445 HG11 VAL 541 1HG1 VAL 541 -0.303 2.014 -5.737 446 HG12 VAL 541 2HG1 VAL 541 -1.638 1.908 -6.887 447 HG13 VAL 541 3HG1 VAL 541 -0.294 3.009 -7.193 448 HG21 VAL 541 3HG2 VAL 541 -3.064 4.563 -7.016 449 HG22 VAL 541 1HG2 VAL 541 -2.102 5.722 -6.098 450 HG23 VAL 541 2HG2 VAL 541 -1.378 4.847 -7.449 451 H ALA 542 H ALA 542 -1.519 3.413 -2.812 452 HA ALA 542 HA ALA 542 -0.405 0.943 -2.356 453 HB1 ALA 542 1HB ALA 542 0.188 1.708 -0.277 454 HB2 ALA 542 2HB ALA 542 -0.172 3.230 -1.094 455 HB3 ALA 542 3HB ALA 542 -1.362 2.510 -0.009 456 H VAL 543 H VAL 543 -3.373 2.149 -0.776 457 HA VAL 543 HA VAL 543 -4.099 -0.233 0.462 458 HB VAL 543 HB VAL 543 -5.894 1.970 -0.563 459 HG11 VAL 543 1HG1 VAL 543 -7.034 0.711 1.672 460 HG12 VAL 543 2HG1 VAL 543 -7.615 0.685 0.004 461 HG13 VAL 543 3HG1 VAL 543 -6.532 -0.582 0.582 462 HG21 VAL 543 3HG2 VAL 543 -5.364 1.687 2.313 463 HG22 VAL 543 1HG2 VAL 543 -3.971 2.158 1.340 464 HG23 VAL 543 2HG2 VAL 543 -5.438 3.135 1.308 465 H GLY 544 H GLY 544 -5.163 1.054 -2.687 466 HA2 GLY 544 1HA GLY 544 -6.907 -0.954 -3.433 467 HA3 GLY 544 2HA GLY 544 -5.933 -0.026 -4.563 468 H VAL 545 H VAL 545 -3.386 -0.938 -3.615 469 HA VAL 545 HA VAL 545 -3.134 -3.294 -5.167 470 HB VAL 545 HB VAL 545 -1.169 -2.058 -3.231 471 HG11 VAL 545 1HG1 VAL 545 -0.915 -4.277 -5.234 472 HG12 VAL 545 2HG1 VAL 545 0.480 -3.314 -4.745 473 HG13 VAL 545 3HG1 VAL 545 -0.414 -4.247 -3.545 474 HG21 VAL 545 3HG2 VAL 545 -0.578 -1.786 -6.049 475 HG22 VAL 545 1HG2 VAL 545 -2.139 -1.071 -5.642 476 HG23 VAL 545 2HG2 VAL 545 -0.683 -0.549 -4.796 477 H VAL 546 H VAL 546 -3.199 -2.689 -1.684 478 HA VAL 546 HA VAL 546 -2.500 -5.228 -0.775 479 HB VAL 546 HB VAL 546 -4.531 -3.430 0.549 480 HG11 VAL 546 1HG1 VAL 546 -2.666 -5.570 1.550 481 HG12 VAL 546 2HG1 VAL 546 -3.467 -4.412 2.615 482 HG13 VAL 546 3HG1 VAL 546 -4.426 -5.528 1.644 483 HG21 VAL 546 3HG2 VAL 546 -2.955 -1.872 0.723 484 HG22 VAL 546 1HG2 VAL 546 -2.000 -3.005 1.679 485 HG23 VAL 546 2HG2 VAL 546 -1.773 -2.914 -0.067 486 H LEU 547 H LEU 547 -5.738 -3.910 -1.447 487 HA LEU 547 HA LEU 547 -7.213 -6.180 -0.781 488 HB2 LEU 547 1HB LEU 547 -7.718 -3.949 -2.726 489 HB3 LEU 547 2HB LEU 547 -8.892 -5.235 -2.451 490 HG LEU 547 HG LEU 547 -7.877 -3.621 -0.147 491 HD11 LEU 547 1HD1 LEU 547 -9.612 -2.694 -2.344 492 HD12 LEU 547 2HD1 LEU 547 -8.595 -1.778 -1.232 493 HD13 LEU 547 3HD1 LEU 547 -10.176 -2.358 -0.706 494 HD21 LEU 547 3HD2 LEU 547 -9.473 -4.686 0.982 495 HD22 LEU 547 1HD2 LEU 547 -9.632 -5.746 -0.418 496 HD23 LEU 547 2HD2 LEU 547 -10.682 -4.338 -0.254 497 H LEU 548 H LEU 548 -5.882 -5.191 -3.923 498 HA LEU 548 HA LEU 548 -6.857 -7.282 -5.468 499 HB2 LEU 548 1HB LEU 548 -5.560 -5.171 -6.151 500 HB3 LEU 548 2HB LEU 548 -4.114 -6.135 -5.863 501 HG LEU 548 HG LEU 548 -4.779 -6.015 -8.247 502 HD11 LEU 548 1HD1 LEU 548 -5.192 -8.854 -7.688 503 HD12 LEU 548 2HD1 LEU 548 -3.824 -8.143 -6.833 504 HD13 LEU 548 3HD1 LEU 548 -3.910 -8.046 -8.591 505 HD21 LEU 548 3HD2 LEU 548 -7.015 -7.901 -7.755 506 HD22 LEU 548 1HD2 LEU 548 -6.783 -6.728 -9.050 507 HD23 LEU 548 2HD2 LEU 548 -7.309 -6.188 -7.456 508 H LEU 549 H LEU 549 -3.854 -7.093 -3.589 509 HA LEU 549 HA LEU 549 -2.744 -9.537 -4.323 510 HB2 LEU 549 1HB LEU 549 -1.785 -7.624 -2.887 511 HB3 LEU 549 2HB LEU 549 -2.548 -8.456 -1.534 512 HG LEU 549 HG LEU 549 -0.495 -9.714 -3.349 513 HD11 LEU 549 1HD1 LEU 549 1.184 -9.113 -1.918 514 HD12 LEU 549 2HD1 LEU 549 0.096 -8.915 -0.545 515 HD13 LEU 549 3HD1 LEU 549 0.155 -7.685 -1.806 516 HD21 LEU 549 3HD2 LEU 549 -2.044 -10.599 -0.973 517 HD22 LEU 549 1HD2 LEU 549 -0.376 -11.150 -1.136 518 HD23 LEU 549 2HD2 LEU 549 -1.549 -11.503 -2.404 519 H VAL 550 H VAL 550 -5.145 -8.778 -1.852 520 HA VAL 550 HA VAL 550 -5.236 -11.258 -0.564 521 HB VAL 550 HB VAL 550 -7.480 -9.282 -1.000 522 HG11 VAL 550 1HG1 VAL 550 -8.362 -11.459 -0.399 523 HG12 VAL 550 2HG1 VAL 550 -7.245 -11.561 0.963 524 HG13 VAL 550 3HG1 VAL 550 -8.522 -10.345 0.957 525 HG21 VAL 550 3HG2 VAL 550 -6.528 -8.007 0.554 526 HG22 VAL 550 1HG2 VAL 550 -6.399 -9.376 1.659 527 HG23 VAL 550 2HG2 VAL 550 -5.114 -9.060 0.491 528 H LEU 551 H LEU 551 -7.333 -10.034 -3.178 529 HA LEU 551 HA LEU 551 -8.874 -12.283 -3.581 530 HB2 LEU 551 1HB LEU 551 -7.911 -10.126 -5.414 531 HB3 LEU 551 2HB LEU 551 -8.857 -11.469 -6.050 532 HG LEU 551 HG LEU 551 -10.292 -9.572 -5.651 533 HD11 LEU 551 1HD1 LEU 551 -10.965 -11.354 -3.366 534 HD12 LEU 551 2HD1 LEU 551 -10.899 -12.042 -4.987 535 HD13 LEU 551 3HD1 LEU 551 -12.000 -10.708 -4.639 536 HD21 LEU 551 3HD2 LEU 551 -10.606 -8.645 -3.415 537 HD22 LEU 551 1HD2 LEU 551 -8.938 -8.448 -3.954 538 HD23 LEU 551 2HD2 LEU 551 -9.344 -9.707 -2.789 539 H ALA 552 H ALA 552 -5.636 -11.585 -4.782 540 HA ALA 552 HA ALA 552 -5.409 -13.750 -6.564 541 HB1 ALA 552 1HB ALA 552 -3.843 -11.962 -6.715 542 HB2 ALA 552 2HB ALA 552 -3.319 -12.201 -5.048 543 HB3 ALA 552 3HB ALA 552 -2.945 -13.413 -6.273 544 H GLY 553 H GLY 553 -3.645 -13.501 -3.479 545 HA2 GLY 553 1HA GLY 553 -3.024 -16.182 -3.224 546 HA3 GLY 553 2HA GLY 553 -3.184 -15.074 -1.869 547 H VAL 554 H VAL 554 -5.760 -14.510 -1.660 548 HA VAL 554 HA VAL 554 -6.890 -16.754 -0.455 549 HB VAL 554 HB VAL 554 -8.313 -14.300 -1.499 550 HG11 VAL 554 1HG1 VAL 554 -9.904 -16.058 -1.091 551 HG12 VAL 554 2HG1 VAL 554 -9.182 -16.402 0.482 552 HG13 VAL 554 3HG1 VAL 554 -10.017 -14.873 0.210 553 HG21 VAL 554 3HG2 VAL 554 -8.103 -13.471 0.797 554 HG22 VAL 554 1HG2 VAL 554 -7.183 -14.911 1.232 555 HG23 VAL 554 2HG2 VAL 554 -6.523 -13.760 0.071 556 H GLY 555 H GLY 555 -7.157 -15.553 -3.739 557 HA2 GLY 555 1HA GLY 555 -9.371 -17.163 -4.508 558 HA3 GLY 555 2HA GLY 555 -8.236 -16.377 -5.596 559 H PHE 556 H PHE 556 -5.950 -17.763 -4.271 560 HA PHE 556 HA PHE 556 -6.142 -20.217 -5.822 561 HB2 PHE 556 1HB PHE 556 -4.143 -18.937 -6.177 562 HB3 PHE 556 2HB PHE 556 -3.828 -18.847 -4.447 563 HD1 PHE 556 2HD PHE 556 -3.013 -20.809 -3.231 564 HD2 PHE 556 1HD PHE 556 -3.563 -20.870 -7.450 565 HE1 PHE 556 2HE PHE 556 -1.628 -22.837 -3.379 566 HE2 PHE 556 1HE PHE 556 -2.180 -22.899 -7.605 567 HZ PHE 556 HZ PHE 556 -1.208 -23.884 -5.568 568 H PHE 557 H PHE 557 -6.163 -19.165 -2.535 569 HA PHE 557 HA PHE 557 -5.489 -21.734 -1.418 570 HB2 PHE 557 1HB PHE 557 -6.423 -19.118 -0.264 571 HB3 PHE 557 2HB PHE 557 -6.346 -20.570 0.729 572 HD1 PHE 557 1HD PHE 557 -3.954 -21.897 0.078 573 HD2 PHE 557 2HD PHE 557 -4.682 -17.705 0.184 574 HE1 PHE 557 1HE PHE 557 -1.560 -21.495 0.479 575 HE2 PHE 557 2HE PHE 557 -2.290 -17.296 0.585 576 HZ PHE 557 HZ PHE 557 -0.725 -19.192 0.733 577 H ILE 558 H ILE 558 -8.003 -21.002 -3.169 578 HA ILE 558 HA ILE 558 -10.016 -22.223 -1.407 579 HB ILE 558 HB ILE 558 -10.520 -20.010 -2.537 580 HG12 ILE 558 1HG1 ILE 558 -12.654 -21.649 -3.599 581 HG13 ILE 558 2HG1 ILE 558 -12.130 -22.253 -2.030 582 HG21 ILE 558 1HG2 ILE 558 -11.265 -21.403 -5.017 583 HG22 ILE 558 2HG2 ILE 558 -10.615 -19.782 -4.772 584 HG23 ILE 558 3HG2 ILE 558 -9.533 -21.175 -4.767 585 HD11 ILE 558 3HD1 ILE 558 -12.330 -19.461 -1.789 586 HD12 ILE 558 1HD1 ILE 558 -13.774 -20.008 -2.640 587 HD13 ILE 558 2HD1 ILE 558 -13.362 -20.696 -1.069 588 H HIS 559 H HIS 559 -7.939 -22.910 -3.969 589 HA HIS 559 HA HIS 559 -9.466 -25.347 -4.596 590 HB2 HIS 559 1HB HIS 559 -8.800 -25.219 -6.910 591 HB3 HIS 559 2HB HIS 559 -9.562 -23.694 -6.468 592 HD1 HIS 559 1HD HIS 559 -6.174 -25.180 -7.194 593 HD2 HIS 559 2HD HIS 559 -7.969 -21.461 -6.740 594 HE1 HIS 559 1HE HIS 559 -4.446 -23.505 -7.922 595 H ARG 560 H ARG 560 -7.169 -24.650 -2.762 596 HA ARG 560 HA ARG 560 -4.728 -25.564 -3.629 597 HB2 ARG 560 1HB ARG 560 -6.011 -26.039 -0.932 598 HB3 ARG 560 2HB ARG 560 -4.297 -26.220 -1.282 599 HG2 ARG 560 1HG ARG 560 -5.813 -23.643 -1.616 600 HG3 ARG 560 2HG ARG 560 -4.913 -24.085 -0.162 601 HD2 ARG 560 1HD ARG 560 -3.526 -24.229 -2.792 602 HD3 ARG 560 2HD ARG 560 -3.820 -22.639 -2.085 603 HE ARG 560 HE ARG 560 -2.351 -23.156 -0.348 604 HH11 ARG 560 1HH1 ARG 560 -2.750 -25.837 -2.535 605 HH12 ARG 560 2HH1 ARG 560 -1.367 -26.696 -1.941 606 HH21 ARG 560 1HH2 ARG 560 -0.529 -24.279 0.444 607 HH22 ARG 560 2HH2 ARG 560 -0.106 -25.809 -0.245 608 H ARG 561 H ARG 561 -4.595 -27.300 -4.949 609 HA ARG 561 HA ARG 561 -4.389 -29.507 -5.496 610 HB2 ARG 561 1HB ARG 561 -5.501 -30.224 -2.788 611 HB3 ARG 561 2HB ARG 561 -4.463 -31.192 -3.826 612 HG2 ARG 561 1HG ARG 561 -2.702 -30.431 -2.731 613 HG3 ARG 561 2HG ARG 561 -3.074 -28.800 -3.295 614 HD2 ARG 561 1HD ARG 561 -4.130 -28.220 -1.343 615 HD3 ARG 561 2HD ARG 561 -4.578 -29.884 -0.966 616 HE ARG 561 HE ARG 561 -2.147 -28.532 -0.236 617 HH11 ARG 561 1HH1 ARG 561 -3.660 -31.618 -0.791 618 HH12 ARG 561 2HH1 ARG 561 -2.548 -32.491 0.209 619 HH21 ARG 561 1HH2 ARG 561 -0.675 -29.669 1.083 620 HH22 ARG 561 2HH2 ARG 561 -0.850 -31.381 1.276 621 H ARG 562 H ARG 562 -7.259 -29.279 -3.384 622 HA ARG 562 HA ARG 562 -9.189 -29.304 -5.367 623 HB2 ARG 562 1HB ARG 562 -9.927 -31.754 -5.104 624 HB3 ARG 562 2HB ARG 562 -8.568 -31.413 -6.166 625 HG2 ARG 562 1HG ARG 562 -7.993 -33.325 -4.905 626 HG3 ARG 562 2HG ARG 562 -7.054 -31.984 -4.247 627 HD2 ARG 562 1HD ARG 562 -8.142 -32.019 -2.266 628 HD3 ARG 562 2HD ARG 562 -9.685 -32.452 -3.002 629 HE ARG 562 HE ARG 562 -9.201 -34.660 -2.633 630 HH11 ARG 562 1HH1 ARG 562 -6.292 -32.778 -2.284 631 HH12 ARG 562 2HH1 ARG 562 -5.354 -34.101 -1.676 632 HH21 ARG 562 1HH2 ARG 562 -7.976 -36.409 -1.834 633 HH22 ARG 562 2HH2 ARG 562 -6.312 -36.166 -1.421 634 H LYS 563 H LYS 563 -11.358 -30.218 -4.493 635 HA LYS 563 HA LYS 563 -11.540 -29.389 -1.685 636 HB2 LYS 563 1HB LYS 563 -13.827 -29.760 -3.617 637 HB3 LYS 563 2HB LYS 563 -13.836 -28.883 -2.093 638 HG2 LYS 563 1HG LYS 563 -12.047 -27.391 -3.229 639 HG3 LYS 563 2HG LYS 563 -12.676 -28.085 -4.725 640 HD2 LYS 563 1HD LYS 563 -14.264 -26.522 -4.664 641 HD3 LYS 563 2HD LYS 563 -14.939 -27.368 -3.271 642 HE2 LYS 563 1HE LYS 563 -12.908 -25.907 -2.152 643 HE3 LYS 563 2HE LYS 563 -13.499 -24.829 -3.415 644 HZ1 LYS 563 3HZ LYS 563 -15.517 -26.118 -1.760 645 HZ2 LYS 563 1HZ LYS 563 -15.468 -24.545 -2.381 646 HZ3 LYS 563 2HZ LYS 563 -14.570 -24.938 -1.002 Start of MODEL 9 1 H1 GLU 523 H GLU 523 11.217 -5.220 -8.074 2 HA GLU 523 HA GLU 523 12.878 -3.823 -7.365 3 HB2 GLU 523 1HB GLU 523 12.047 -2.465 -9.933 4 HB3 GLU 523 2HB GLU 523 13.511 -2.071 -9.042 5 HG2 GLU 523 1HG GLU 523 13.115 -4.913 -9.733 6 HG3 GLU 523 2HG GLU 523 13.442 -3.808 -11.068 7 H PHE 524 H PHE 524 10.430 -3.301 -6.110 8 HA PHE 524 HA PHE 524 10.645 -0.396 -5.680 9 HB2 PHE 524 1HB PHE 524 8.283 -2.024 -6.312 10 HB3 PHE 524 2HB PHE 524 8.071 -0.969 -4.919 11 HD1 PHE 524 2HD PHE 524 8.475 1.495 -5.191 12 HD2 PHE 524 1HD PHE 524 8.238 -1.177 -8.496 13 HE1 PHE 524 2HE PHE 524 8.059 3.398 -6.694 14 HE2 PHE 524 1HE PHE 524 7.822 0.723 -10.006 15 HZ PHE 524 HZ PHE 524 7.731 3.012 -9.105 16 H GLN 525 H GLN 525 10.737 0.287 -3.597 17 HA GLN 525 HA GLN 525 9.852 -1.192 -1.364 18 HB2 GLN 525 1HB GLN 525 12.197 -1.586 -0.412 19 HB3 GLN 525 2HB GLN 525 11.625 -2.703 -1.643 20 HG2 GLN 525 1HG GLN 525 13.162 -0.353 -2.571 21 HG3 GLN 525 2HG GLN 525 14.045 -1.603 -1.697 22 HE21 GLN 525 2HE2 GLN 525 13.066 -3.902 -2.481 23 HE22 GLN 525 1HE2 GLN 525 13.190 -4.117 -4.191 24 H THR 526 H THR 526 10.963 -0.268 0.722 25 HA THR 526 HA THR 526 11.909 2.453 0.440 26 HB THR 526 HB THR 526 10.072 3.251 2.066 27 HG1 THR 526 1HG THR 526 8.696 1.064 0.862 28 HG21 THR 526 3HG2 THR 526 9.041 2.644 -0.686 29 HG22 THR 526 1HG2 THR 526 10.376 3.770 -0.445 30 HG23 THR 526 2HG2 THR 526 8.806 4.092 0.293 31 H LEU 527 H LEU 527 12.983 3.196 2.244 32 HA LEU 527 HA LEU 527 12.796 1.818 4.768 33 HB2 LEU 527 1HB LEU 527 15.335 1.424 4.737 34 HB3 LEU 527 2HB LEU 527 14.287 0.274 3.908 35 HG LEU 527 HG LEU 527 16.449 0.942 2.742 36 HD11 LEU 527 1HD1 LEU 527 15.510 0.379 0.769 37 HD12 LEU 527 2HD1 LEU 527 14.236 1.593 0.902 38 HD13 LEU 527 3HD1 LEU 527 14.100 0.071 1.783 39 HD21 LEU 527 3HD2 LEU 527 16.208 3.371 3.249 40 HD22 LEU 527 1HD2 LEU 527 14.869 3.428 2.102 41 HD23 LEU 527 2HD2 LEU 527 16.492 3.015 1.544 42 H SER 528 H SER 528 12.593 4.545 3.525 43 HA SER 528 HA SER 528 14.718 5.962 4.960 44 HB2 SER 528 1HB SER 528 12.695 6.876 2.909 45 HB3 SER 528 2HB SER 528 13.766 7.983 3.768 46 HG SER 528 HG SER 528 15.381 7.346 2.571 47 HA PRO 529 HA PRO 529 12.152 7.235 8.283 48 HB2 PRO 529 1HB PRO 529 13.089 9.737 8.766 49 HB3 PRO 529 2HB PRO 529 14.003 8.276 9.163 50 HG2 PRO 529 1HG PRO 529 14.266 10.093 6.798 51 HG3 PRO 529 2HG PRO 529 15.539 9.355 7.791 52 HD2 PRO 529 1HD PRO 529 14.812 8.362 5.378 53 HD3 PRO 529 2HD PRO 529 15.386 7.329 6.702 54 H GLU 530 H GLU 530 10.252 8.287 8.709 55 HA GLU 530 HA GLU 530 9.420 10.515 7.031 56 HB2 GLU 530 1HB GLU 530 7.180 9.291 6.663 57 HB3 GLU 530 2HB GLU 530 8.547 8.848 5.649 58 HG2 GLU 530 1HG GLU 530 8.957 6.883 6.982 59 HG3 GLU 530 2HG GLU 530 7.686 7.349 8.112 60 H GLY 531 H GLY 531 9.125 11.910 8.685 61 HA2 GLY 531 1HA GLY 531 7.023 11.221 10.620 62 HA3 GLY 531 2HA GLY 531 8.564 11.820 11.218 63 H SER 532 H SER 532 6.866 12.893 8.314 64 HA SER 532 HA SER 532 5.925 15.306 9.592 65 HB2 SER 532 1HB SER 532 7.183 16.769 7.942 66 HB3 SER 532 2HB SER 532 8.165 16.041 9.214 67 HG SER 532 HG SER 532 9.042 15.885 7.040 68 H GLY 533 H GLY 533 3.880 14.803 8.882 69 HA2 GLY 533 1HA GLY 533 2.738 15.789 6.720 70 HA3 GLY 533 2HA GLY 533 3.458 14.343 6.024 71 H ASN 534 H ASN 534 0.677 15.569 7.248 72 HA ASN 534 HA ASN 534 -0.312 13.446 8.830 73 HB2 ASN 534 1HB ASN 534 -1.588 15.710 7.327 74 HB3 ASN 534 2HB ASN 534 -2.587 14.461 8.065 75 HD21 ASN 534 2HD2 ASN 534 -2.029 14.001 10.398 76 HD22 ASN 534 1HD2 ASN 534 -1.722 15.373 11.402 77 H LEU 535 H LEU 535 -0.318 14.075 5.373 78 HA LEU 535 HA LEU 535 -1.996 11.781 4.812 79 HB2 LEU 535 1HB LEU 535 -0.516 13.675 2.995 80 HB3 LEU 535 2HB LEU 535 -1.581 12.385 2.442 81 HG LEU 535 HG LEU 535 -2.868 14.333 2.288 82 HD11 LEU 535 1HD1 LEU 535 -4.023 12.476 3.410 83 HD12 LEU 535 2HD1 LEU 535 -4.628 14.050 3.924 84 HD13 LEU 535 3HD1 LEU 535 -3.543 13.139 4.972 85 HD21 LEU 535 3HD2 LEU 535 -1.212 15.627 3.766 86 HD22 LEU 535 1HD2 LEU 535 -2.244 15.137 5.109 87 HD23 LEU 535 2HD2 LEU 535 -2.908 16.110 3.796 88 H ALA 536 H ALA 536 1.332 12.455 5.189 89 HA ALA 536 HA ALA 536 2.444 10.501 3.483 90 HB1 ALA 536 1HB ALA 536 3.627 12.429 4.655 91 HB2 ALA 536 2HB ALA 536 3.686 11.381 6.072 92 HB3 ALA 536 3HB ALA 536 4.484 10.890 4.577 93 H VAL 537 H VAL 537 1.201 10.371 6.767 94 HA VAL 537 HA VAL 537 2.210 7.919 7.597 95 HB VAL 537 HB VAL 537 -0.562 8.940 8.219 96 HG11 VAL 537 1HG1 VAL 537 1.320 7.040 9.593 97 HG12 VAL 537 2HG1 VAL 537 -0.043 7.797 10.423 98 HG13 VAL 537 3HG1 VAL 537 -0.328 6.741 9.038 99 HG21 VAL 537 3HG2 VAL 537 0.892 9.772 10.309 100 HG22 VAL 537 1HG2 VAL 537 2.107 9.908 9.038 101 HG23 VAL 537 2HG2 VAL 537 0.579 10.778 8.894 102 H ILE 538 H ILE 538 -0.193 8.625 5.225 103 HA ILE 538 HA ILE 538 -1.657 6.236 5.223 104 HB ILE 538 HB ILE 538 -0.976 7.922 2.812 105 HG12 ILE 538 1HG1 ILE 538 -3.362 8.165 4.653 106 HG13 ILE 538 2HG1 ILE 538 -1.946 9.205 4.741 107 HG21 ILE 538 1HG2 ILE 538 -3.332 7.062 2.173 108 HG22 ILE 538 2HG2 ILE 538 -1.946 5.994 1.977 109 HG23 ILE 538 3HG2 ILE 538 -3.014 5.805 3.368 110 HD11 ILE 538 3HD1 ILE 538 -3.292 10.508 3.468 111 HD12 ILE 538 1HD1 ILE 538 -2.518 9.574 2.187 112 HD13 ILE 538 2HD1 ILE 538 -4.131 9.133 2.748 113 H GLY 539 H GLY 539 1.041 7.149 3.062 114 HA2 GLY 539 1HA GLY 539 1.339 4.629 1.875 115 HA3 GLY 539 2HA GLY 539 2.586 5.865 1.953 116 H GLY 540 H GLY 540 2.938 6.016 4.724 117 HA2 GLY 540 1HA GLY 540 4.841 4.075 5.203 118 HA3 GLY 540 2HA GLY 540 4.032 4.992 6.464 119 H VAL 541 H VAL 541 1.476 4.095 6.366 120 HA VAL 541 HA VAL 541 1.734 1.495 7.561 121 HB VAL 541 HB VAL 541 -0.791 3.049 6.984 122 HG11 VAL 541 1HG1 VAL 541 -1.397 1.638 9.141 123 HG12 VAL 541 2HG1 VAL 541 -1.590 0.980 7.515 124 HG13 VAL 541 3HG1 VAL 541 -0.173 0.557 8.477 125 HG21 VAL 541 3HG2 VAL 541 -0.152 4.486 8.556 126 HG22 VAL 541 1HG2 VAL 541 -0.134 3.159 9.717 127 HG23 VAL 541 2HG2 VAL 541 1.334 3.577 8.832 128 H ALA 542 H ALA 542 -0.142 2.769 4.808 129 HA ALA 542 HA ALA 542 -1.251 0.429 3.885 130 HB1 ALA 542 1HB ALA 542 -0.194 2.345 1.869 131 HB2 ALA 542 2HB ALA 542 -1.771 1.561 1.966 132 HB3 ALA 542 3HB ALA 542 -1.392 2.916 3.030 133 H VAL 543 H VAL 543 1.783 1.855 2.651 134 HA VAL 543 HA VAL 543 2.540 -0.314 1.069 135 HB VAL 543 HB VAL 543 4.297 1.714 2.457 136 HG11 VAL 543 1HG1 VAL 543 5.503 0.804 0.092 137 HG12 VAL 543 2HG1 VAL 543 6.040 0.531 1.750 138 HG13 VAL 543 3HG1 VAL 543 4.979 -0.637 0.962 139 HG21 VAL 543 3HG2 VAL 543 3.382 1.661 -0.412 140 HG22 VAL 543 1HG2 VAL 543 2.555 2.564 0.857 141 HG23 VAL 543 2HG2 VAL 543 4.219 2.962 0.433 142 H GLY 544 H GLY 544 3.476 0.476 4.413 143 HA2 GLY 544 1HA GLY 544 5.233 -1.599 4.902 144 HA3 GLY 544 2HA GLY 544 4.196 -0.877 6.124 145 H VAL 545 H VAL 545 1.708 -1.666 4.930 146 HA VAL 545 HA VAL 545 1.462 -4.254 6.069 147 HB VAL 545 HB VAL 545 -0.478 -2.738 4.317 148 HG11 VAL 545 1HG1 VAL 545 -0.691 -5.302 5.838 149 HG12 VAL 545 2HG1 VAL 545 -2.112 -4.272 5.640 150 HG13 VAL 545 3HG1 VAL 545 -1.274 -4.904 4.222 151 HG21 VAL 545 3HG2 VAL 545 -1.065 -1.541 6.105 152 HG22 VAL 545 1HG2 VAL 545 -1.108 -2.968 7.140 153 HG23 VAL 545 2HG2 VAL 545 0.415 -2.124 6.863 154 H VAL 546 H VAL 546 1.553 -3.066 2.736 155 HA VAL 546 HA VAL 546 0.933 -5.403 1.381 156 HB VAL 546 HB VAL 546 3.001 -3.397 0.479 157 HG11 VAL 546 1HG1 VAL 546 2.073 -4.025 -1.777 158 HG12 VAL 546 2HG1 VAL 546 2.990 -5.288 -0.956 159 HG13 VAL 546 3HG1 VAL 546 1.228 -5.347 -0.974 160 HG21 VAL 546 3HG2 VAL 546 0.496 -2.840 -0.680 161 HG22 VAL 546 1HG2 VAL 546 0.224 -3.011 1.053 162 HG23 VAL 546 2HG2 VAL 546 1.408 -1.848 0.456 163 H LEU 547 H LEU 547 4.189 -4.206 2.215 164 HA LEU 547 HA LEU 547 5.641 -6.381 1.286 165 HB2 LEU 547 1HB LEU 547 6.150 -4.434 3.514 166 HB3 LEU 547 2HB LEU 547 7.314 -5.688 3.088 167 HG LEU 547 HG LEU 547 6.332 -3.603 1.147 168 HD11 LEU 547 1HD1 LEU 547 7.454 -2.229 2.581 169 HD12 LEU 547 2HD1 LEU 547 8.806 -2.801 1.603 170 HD13 LEU 547 3HD1 LEU 547 8.495 -3.519 3.183 171 HD21 LEU 547 3HD2 LEU 547 8.828 -4.441 0.392 172 HD22 LEU 547 1HD2 LEU 547 7.304 -5.019 -0.284 173 HD23 LEU 547 2HD2 LEU 547 8.096 -5.925 1.006 174 H LEU 548 H LEU 548 4.340 -5.813 4.548 175 HA LEU 548 HA LEU 548 5.277 -8.146 5.749 176 HB2 LEU 548 1HB LEU 548 4.104 -6.100 6.775 177 HB3 LEU 548 2HB LEU 548 2.605 -6.945 6.397 178 HG LEU 548 HG LEU 548 3.350 -7.201 8.753 179 HD11 LEU 548 1HD1 LEU 548 2.235 -9.051 7.072 180 HD12 LEU 548 2HD1 LEU 548 2.347 -9.194 8.826 181 HD13 LEU 548 3HD1 LEU 548 3.566 -9.951 7.799 182 HD21 LEU 548 3HD2 LEU 548 5.501 -9.027 7.749 183 HD22 LEU 548 1HD2 LEU 548 5.290 -8.326 9.353 184 HD23 LEU 548 2HD2 LEU 548 5.821 -7.312 8.010 185 H LEU 549 H LEU 549 2.414 -7.575 3.785 186 HA LEU 549 HA LEU 549 1.099 -10.009 4.265 187 HB2 LEU 549 1HB LEU 549 0.284 -7.887 3.054 188 HB3 LEU 549 2HB LEU 549 1.031 -8.594 1.622 189 HG LEU 549 HG LEU 549 -1.130 -9.940 3.236 190 HD11 LEU 549 1HD1 LEU 549 -2.738 -9.096 1.830 191 HD12 LEU 549 2HD1 LEU 549 -1.586 -8.734 0.547 192 HD13 LEU 549 3HD1 LEU 549 -1.659 -7.709 1.979 193 HD21 LEU 549 3HD2 LEU 549 -1.265 -11.057 0.826 194 HD22 LEU 549 1HD2 LEU 549 -0.200 -11.669 2.092 195 HD23 LEU 549 2HD2 LEU 549 0.448 -10.630 0.823 196 H VAL 550 H VAL 550 3.597 -9.111 1.942 197 HA VAL 550 HA VAL 550 3.564 -11.466 0.408 198 HB VAL 550 HB VAL 550 5.880 -9.610 0.968 199 HG11 VAL 550 1HG1 VAL 550 5.514 -11.656 -1.218 200 HG12 VAL 550 2HG1 VAL 550 6.857 -10.519 -1.083 201 HG13 VAL 550 3HG1 VAL 550 6.637 -11.775 0.136 202 HG21 VAL 550 3HG2 VAL 550 4.691 -8.152 -0.229 203 HG22 VAL 550 1HG2 VAL 550 4.977 -9.204 -1.616 204 HG23 VAL 550 2HG2 VAL 550 3.498 -9.374 -0.671 205 H LEU 551 H LEU 551 5.772 -10.525 3.049 206 HA LEU 551 HA LEU 551 7.231 -12.856 3.237 207 HB2 LEU 551 1HB LEU 551 6.410 -10.807 5.254 208 HB3 LEU 551 2HB LEU 551 7.321 -12.230 5.757 209 HG LEU 551 HG LEU 551 8.811 -10.354 5.450 210 HD11 LEU 551 1HD1 LEU 551 9.192 -12.841 4.448 211 HD12 LEU 551 2HD1 LEU 551 10.428 -11.583 4.494 212 HD13 LEU 551 3HD1 LEU 551 9.499 -11.852 3.020 213 HD21 LEU 551 3HD2 LEU 551 7.798 -10.266 2.609 214 HD22 LEU 551 1HD2 LEU 551 9.102 -9.286 3.280 215 HD23 LEU 551 2HD2 LEU 551 7.451 -9.077 3.866 216 H ALA 552 H ALA 552 4.071 -12.117 4.618 217 HA ALA 552 HA ALA 552 3.810 -14.411 6.224 218 HB1 ALA 552 1HB ALA 552 1.885 -12.464 5.034 219 HB2 ALA 552 2HB ALA 552 1.280 -13.926 5.813 220 HB3 ALA 552 3HB ALA 552 2.261 -12.783 6.729 221 H GLY 553 H GLY 553 1.952 -13.829 3.238 222 HA2 GLY 553 1HA GLY 553 1.185 -16.445 2.793 223 HA3 GLY 553 2HA GLY 553 1.363 -15.241 1.526 224 H VAL 554 H VAL 554 3.902 -14.799 1.165 225 HA VAL 554 HA VAL 554 4.878 -17.110 -0.107 226 HB VAL 554 HB VAL 554 6.540 -14.719 0.680 227 HG11 VAL 554 1HG1 VAL 554 7.865 -16.515 -0.184 228 HG12 VAL 554 2HG1 VAL 554 6.754 -16.750 -1.536 229 HG13 VAL 554 3HG1 VAL 554 7.727 -15.283 -1.439 230 HG21 VAL 554 3HG2 VAL 554 5.112 -13.484 -0.514 231 HG22 VAL 554 1HG2 VAL 554 5.736 -14.331 -1.930 232 HG23 VAL 554 2HG2 VAL 554 4.271 -14.907 -1.131 233 H GLY 555 H GLY 555 5.013 -16.150 3.146 234 HA2 GLY 555 1HA GLY 555 7.507 -17.347 3.858 235 HA3 GLY 555 2HA GLY 555 6.227 -16.876 4.966 236 H PHE 556 H PHE 556 4.129 -18.422 4.156 237 HA PHE 556 HA PHE 556 5.066 -21.080 4.935 238 HB2 PHE 556 1HB PHE 556 3.327 -20.379 6.352 239 HB3 PHE 556 2HB PHE 556 2.392 -19.708 5.020 240 HD1 PHE 556 1HD PHE 556 3.483 -22.845 6.627 241 HD2 PHE 556 2HD PHE 556 0.845 -21.028 3.824 242 HE1 PHE 556 1HE PHE 556 2.196 -24.939 6.486 243 HE2 PHE 556 2HE PHE 556 -0.447 -23.117 3.679 244 HZ PHE 556 HZ PHE 556 0.228 -25.076 5.012 245 H PHE 557 H PHE 557 3.694 -19.369 2.266 246 HA PHE 557 HA PHE 557 2.693 -21.648 0.867 247 HB2 PHE 557 1HB PHE 557 1.856 -19.363 0.449 248 HB3 PHE 557 2HB PHE 557 3.430 -18.914 -0.196 249 HD1 PHE 557 2HD PHE 557 1.725 -22.131 -0.786 250 HD2 PHE 557 1HD PHE 557 2.777 -18.330 -2.385 251 HE1 PHE 557 2HE PHE 557 1.019 -22.881 -3.021 252 HE2 PHE 557 1HE PHE 557 2.072 -19.071 -4.623 253 HZ PHE 557 HZ PHE 557 1.192 -21.350 -4.943 254 H ILE 558 H ILE 558 5.786 -20.621 1.540 255 HA ILE 558 HA ILE 558 6.986 -21.482 -0.958 256 HB ILE 558 HB ILE 558 7.955 -19.584 0.286 257 HG12 ILE 558 1HG1 ILE 558 10.235 -21.315 0.567 258 HG13 ILE 558 2HG1 ILE 558 9.308 -21.790 -0.852 259 HG21 ILE 558 1HG2 ILE 558 9.233 -21.304 2.299 260 HG22 ILE 558 2HG2 ILE 558 8.603 -19.664 2.440 261 HG23 ILE 558 3HG2 ILE 558 7.505 -21.041 2.521 262 HD11 ILE 558 3HD1 ILE 558 11.194 -20.020 -1.050 263 HD12 ILE 558 1HD1 ILE 558 9.681 -19.797 -1.925 264 HD13 ILE 558 2HD1 ILE 558 9.969 -18.917 -0.423 265 H HIS 559 H HIS 559 6.232 -22.787 2.148 266 HA HIS 559 HA HIS 559 7.420 -25.339 1.335 267 HB2 HIS 559 1HB HIS 559 8.100 -25.666 3.778 268 HB3 HIS 559 2HB HIS 559 9.085 -24.563 2.821 269 HD1 HIS 559 1HD HIS 559 9.811 -22.780 4.372 270 HD2 HIS 559 2HD HIS 559 5.805 -23.749 4.896 271 HE1 HIS 559 1HE HIS 559 8.945 -21.156 6.087 272 H ARG 560 H ARG 560 4.689 -24.259 1.394 273 HA ARG 560 HA ARG 560 3.241 -25.283 3.583 274 HB2 ARG 560 1HB ARG 560 1.290 -24.839 2.331 275 HB3 ARG 560 2HB ARG 560 2.449 -23.615 1.829 276 HG2 ARG 560 1HG ARG 560 2.027 -24.198 -0.264 277 HG3 ARG 560 2HG ARG 560 2.841 -25.729 0.065 278 HD2 ARG 560 1HD ARG 560 0.604 -26.552 0.944 279 HD3 ARG 560 2HD ARG 560 -0.097 -25.110 0.211 280 HE ARG 560 HE ARG 560 1.503 -26.633 -1.614 281 HH11 ARG 560 1HH1 ARG 560 -1.649 -26.332 -0.167 282 HH12 ARG 560 2HH1 ARG 560 -2.467 -27.131 -1.470 283 HH21 ARG 560 1HH2 ARG 560 0.438 -27.686 -3.335 284 HH22 ARG 560 2HH2 ARG 560 -1.279 -27.902 -3.270 285 H ARG 561 H ARG 561 4.791 -26.843 0.996 286 HA ARG 561 HA ARG 561 3.657 -29.396 1.828 287 HB2 ARG 561 1HB ARG 561 3.465 -28.256 -0.941 288 HB3 ARG 561 2HB ARG 561 3.550 -29.996 -0.699 289 HG2 ARG 561 1HG ARG 561 1.517 -28.334 0.737 290 HG3 ARG 561 2HG ARG 561 1.244 -28.904 -0.911 291 HD2 ARG 561 1HD ARG 561 2.204 -31.063 0.704 292 HD3 ARG 561 2HD ARG 561 0.834 -30.297 1.505 293 HE ARG 561 HE ARG 561 0.773 -31.880 -0.876 294 HH11 ARG 561 1HH1 ARG 561 -0.796 -29.286 0.834 295 HH12 ARG 561 2HH1 ARG 561 -2.334 -29.544 0.080 296 HH21 ARG 561 1HH2 ARG 561 -1.248 -32.230 -1.876 297 HH22 ARG 561 2HH2 ARG 561 -2.590 -31.220 -1.461 298 H ARG 562 H ARG 562 6.105 -28.595 2.544 299 HA ARG 562 HA ARG 562 8.254 -28.969 0.856 300 HB2 ARG 562 1HB ARG 562 9.538 -29.598 2.885 301 HB3 ARG 562 2HB ARG 562 8.555 -28.157 3.110 302 HG2 ARG 562 1HG ARG 562 7.048 -30.466 3.867 303 HG3 ARG 562 2HG ARG 562 8.611 -30.476 4.686 304 HD2 ARG 562 1HD ARG 562 8.225 -28.306 5.601 305 HD3 ARG 562 2HD ARG 562 6.784 -28.083 4.609 306 HE ARG 562 HE ARG 562 6.497 -30.358 6.262 307 HH11 ARG 562 1HH1 ARG 562 6.501 -26.880 6.375 308 HH12 ARG 562 2HH1 ARG 562 5.457 -26.792 7.756 309 HH21 ARG 562 1HH2 ARG 562 5.122 -30.258 8.080 310 HH22 ARG 562 2HH2 ARG 562 4.674 -28.715 8.724 311 H LYS 563 H LYS 563 9.103 -30.646 -0.194 312 HA LYS 563 HA LYS 563 7.836 -33.211 -0.083 313 HB2 LYS 563 1HB LYS 563 9.467 -33.851 -1.805 314 HB3 LYS 563 2HB LYS 563 8.676 -32.328 -2.195 315 HG2 LYS 563 1HG LYS 563 10.739 -31.581 -2.593 316 HG3 LYS 563 2HG LYS 563 10.886 -31.481 -0.836 317 HD2 LYS 563 1HD LYS 563 12.294 -33.240 -0.730 318 HD3 LYS 563 2HD LYS 563 11.439 -34.130 -1.992 319 HE2 LYS 563 1HE LYS 563 12.494 -32.114 -3.443 320 HE3 LYS 563 2HE LYS 563 13.719 -32.271 -2.187 321 HZ1 LYS 563 3HZ LYS 563 13.672 -34.731 -2.729 322 HZ2 LYS 563 1HZ LYS 563 14.383 -33.715 -3.879 323 HZ3 LYS 563 2HZ LYS 563 12.820 -34.312 -4.129 324 H1 GLU 523 H GLU 523 2.450 12.606 -10.728 325 HA GLU 523 HA GLU 523 4.536 12.644 -12.807 326 HB2 GLU 523 1HB GLU 523 2.481 10.578 -12.067 327 HB3 GLU 523 2HB GLU 523 3.220 10.592 -13.663 328 HG2 GLU 523 1HG GLU 523 5.455 10.571 -12.418 329 HG3 GLU 523 2HG GLU 523 4.509 10.110 -11.004 330 H PHE 524 H PHE 524 1.123 13.082 -12.129 331 HA PHE 524 HA PHE 524 0.846 14.457 -14.703 332 HB2 PHE 524 1HB PHE 524 -1.090 12.411 -13.602 333 HB3 PHE 524 2HB PHE 524 -1.418 13.454 -14.982 334 HD1 PHE 524 1HD PHE 524 0.555 10.616 -13.756 335 HD2 PHE 524 2HD PHE 524 -0.424 13.035 -17.120 336 HE1 PHE 524 1HE PHE 524 1.601 8.962 -15.248 337 HE2 PHE 524 2HE PHE 524 0.619 11.384 -18.616 338 HZ PHE 524 HZ PHE 524 1.634 9.344 -17.681 339 H GLN 525 H GLN 525 -0.026 16.411 -14.491 340 HA GLN 525 HA GLN 525 -1.893 16.941 -12.308 341 HB2 GLN 525 1HB GLN 525 0.578 18.610 -12.813 342 HB3 GLN 525 2HB GLN 525 -0.697 18.989 -11.662 343 HG2 GLN 525 1HG GLN 525 0.729 18.017 -10.221 344 HG3 GLN 525 2HG GLN 525 -0.058 16.548 -10.795 345 HE21 GLN 525 2HE2 GLN 525 1.720 15.263 -10.379 346 HE22 GLN 525 1HE2 GLN 525 3.164 15.336 -11.323 347 H THR 526 H THR 526 -2.347 19.554 -12.558 348 HA THR 526 HA THR 526 -2.846 20.061 -15.409 349 HB THR 526 HB THR 526 -5.098 21.067 -14.619 350 HG1 THR 526 1HG THR 526 -5.922 19.820 -12.785 351 HG21 THR 526 3HG2 THR 526 -4.588 18.100 -14.785 352 HG22 THR 526 1HG2 THR 526 -5.059 19.185 -16.093 353 HG23 THR 526 2HG2 THR 526 -6.200 18.816 -14.799 354 H LEU 527 H LEU 527 -3.694 22.382 -15.701 355 HA LEU 527 HA LEU 527 -2.090 24.151 -13.979 356 HB2 LEU 527 1HB LEU 527 -2.184 25.715 -15.952 357 HB3 LEU 527 2HB LEU 527 -1.234 24.245 -16.168 358 HG LEU 527 HG LEU 527 -4.051 24.199 -17.104 359 HD11 LEU 527 1HD1 LEU 527 -2.287 25.192 -19.166 360 HD12 LEU 527 2HD1 LEU 527 -2.434 26.336 -17.831 361 HD13 LEU 527 3HD1 LEU 527 -3.879 25.767 -18.668 362 HD21 LEU 527 3HD2 LEU 527 -1.996 22.450 -17.225 363 HD22 LEU 527 1HD2 LEU 527 -1.801 23.284 -18.766 364 HD23 LEU 527 2HD2 LEU 527 -3.328 22.491 -18.381 365 H SER 528 H SER 528 -4.490 23.531 -12.938 366 HA SER 528 HA SER 528 -5.956 26.054 -13.213 367 HB2 SER 528 1HB SER 528 -8.106 24.679 -12.937 368 HB3 SER 528 2HB SER 528 -7.327 24.638 -14.518 369 HG SER 528 HG SER 528 -7.377 22.557 -14.241 370 HA PRO 529 HA PRO 529 -6.037 26.087 -8.827 371 HB2 PRO 529 1HB PRO 529 -8.420 27.288 -8.327 372 HB3 PRO 529 2HB PRO 529 -7.022 28.157 -8.970 373 HG2 PRO 529 1HG PRO 529 -9.406 27.069 -10.419 374 HG3 PRO 529 2HG PRO 529 -8.588 28.630 -10.622 375 HD2 PRO 529 1HD PRO 529 -8.177 26.539 -12.293 376 HD3 PRO 529 2HD PRO 529 -6.909 27.724 -11.914 377 H GLU 530 H GLU 530 -6.208 23.692 -8.784 378 HA GLU 530 HA GLU 530 -8.740 22.901 -7.536 379 HB2 GLU 530 1HB GLU 530 -7.309 21.381 -9.719 380 HB3 GLU 530 2HB GLU 530 -8.572 20.686 -8.711 381 HG2 GLU 530 1HG GLU 530 -9.298 23.216 -9.995 382 HG3 GLU 530 2HG GLU 530 -8.976 21.887 -11.109 383 H GLY 531 H GLY 531 -8.063 22.596 -5.496 384 HA2 GLY 531 1HA GLY 531 -5.549 21.140 -5.046 385 HA3 GLY 531 2HA GLY 531 -6.386 22.127 -3.858 386 H SER 532 H SER 532 -5.687 19.026 -4.739 387 HA SER 532 HA SER 532 -8.057 17.969 -3.339 388 HB2 SER 532 1HB SER 532 -6.376 16.704 -5.511 389 HB3 SER 532 2HB SER 532 -7.577 15.822 -4.570 390 HG SER 532 HG SER 532 -8.932 16.530 -6.003 391 H GLY 533 H GLY 533 -4.756 16.846 -4.120 392 HA2 GLY 533 1HA GLY 533 -3.472 16.904 -1.779 393 HA3 GLY 533 2HA GLY 533 -4.585 15.571 -1.509 394 H ASN 534 H ASN 534 -1.722 16.633 -3.136 395 HA ASN 534 HA ASN 534 -1.345 14.529 -4.938 396 HB2 ASN 534 1HB ASN 534 0.677 16.205 -3.438 397 HB3 ASN 534 2HB ASN 534 1.093 15.101 -4.747 398 HD21 ASN 534 2HD2 ASN 534 -0.639 15.471 -6.654 399 HD22 ASN 534 1HD2 ASN 534 -0.696 17.113 -7.189 400 H LEU 535 H LEU 535 -0.995 14.666 -1.495 401 HA LEU 535 HA LEU 535 0.599 12.271 -1.306 402 HB2 LEU 535 1HB LEU 535 -0.871 13.872 0.781 403 HB3 LEU 535 2HB LEU 535 0.172 12.493 1.129 404 HG LEU 535 HG LEU 535 1.482 14.374 1.598 405 HD11 LEU 535 1HD1 LEU 535 3.268 14.292 -0.004 406 HD12 LEU 535 2HD1 LEU 535 2.188 13.651 -1.241 407 HD13 LEU 535 3HD1 LEU 535 2.587 12.675 0.173 408 HD21 LEU 535 3HD2 LEU 535 -0.209 15.793 0.081 409 HD22 LEU 535 1HD2 LEU 535 1.165 15.702 -1.021 410 HD23 LEU 535 2HD2 LEU 535 1.370 16.394 0.588 411 H ALA 536 H ALA 536 -2.722 13.032 -1.581 412 HA ALA 536 HA ALA 536 -3.858 10.837 -0.218 413 HB1 ALA 536 1HB ALA 536 -5.891 11.420 -1.235 414 HB2 ALA 536 2HB ALA 536 -5.020 12.944 -1.053 415 HB3 ALA 536 3HB ALA 536 -5.085 12.148 -2.624 416 H VAL 537 H VAL 537 -2.624 11.240 -3.486 417 HA VAL 537 HA VAL 537 -3.653 8.962 -4.697 418 HB VAL 537 HB VAL 537 -0.881 10.061 -5.168 419 HG11 VAL 537 1HG1 VAL 537 -1.135 8.027 -6.335 420 HG12 VAL 537 2HG1 VAL 537 -2.784 8.423 -6.822 421 HG13 VAL 537 3HG1 VAL 537 -1.423 9.297 -7.524 422 HG21 VAL 537 3HG2 VAL 537 -2.166 11.971 -5.393 423 HG22 VAL 537 1HG2 VAL 537 -2.185 11.324 -7.033 424 HG23 VAL 537 2HG2 VAL 537 -3.574 11.082 -5.974 425 H ILE 538 H ILE 538 -1.227 9.262 -2.263 426 HA ILE 538 HA ILE 538 0.231 6.909 -2.662 427 HB ILE 538 HB ILE 538 -0.447 8.164 -0.001 428 HG12 ILE 538 1HG1 ILE 538 1.936 8.713 -1.779 429 HG13 ILE 538 2HG1 ILE 538 0.521 9.754 -1.684 430 HG21 ILE 538 1HG2 ILE 538 1.596 6.175 -0.905 431 HG22 ILE 538 2HG2 ILE 538 1.905 7.208 0.488 432 HG23 ILE 538 3HG2 ILE 538 0.522 6.116 0.492 433 HD11 ILE 538 3HD1 ILE 538 1.098 9.683 0.894 434 HD12 ILE 538 1HD1 ILE 538 2.709 9.341 0.265 435 HD13 ILE 538 2HD1 ILE 538 1.871 10.819 -0.211 436 H GLY 539 H GLY 539 -2.471 7.440 -0.383 437 HA2 GLY 539 1HA GLY 539 -2.760 4.744 0.348 438 HA3 GLY 539 2HA GLY 539 -3.999 5.980 0.511 439 H GLY 540 H GLY 540 -4.361 6.629 -2.196 440 HA2 GLY 540 1HA GLY 540 -6.294 4.821 -2.991 441 HA3 GLY 540 2HA GLY 540 -5.485 5.940 -4.077 442 H VAL 541 H VAL 541 -2.957 5.039 -4.222 443 HA VAL 541 HA VAL 541 -3.251 2.681 -5.830 444 HB VAL 541 HB VAL 541 -0.727 4.144 -5.044 445 HG11 VAL 541 1HG1 VAL 541 -1.314 1.888 -6.895 446 HG12 VAL 541 2HG1 VAL 541 -0.072 3.058 -7.351 447 HG13 VAL 541 3HG1 VAL 541 0.077 2.155 -5.843 448 HG21 VAL 541 3HG2 VAL 541 -1.237 4.729 -7.674 449 HG22 VAL 541 1HG2 VAL 541 -2.848 4.754 -6.955 450 HG23 VAL 541 2HG2 VAL 541 -1.574 5.788 -6.306 451 H ALA 542 H ALA 542 -1.326 3.451 -2.928 452 HA ALA 542 HA ALA 542 -0.210 0.985 -2.447 453 HB1 ALA 542 1HB ALA 542 -1.251 2.592 -0.152 454 HB2 ALA 542 2HB ALA 542 0.278 1.726 -0.315 455 HB3 ALA 542 3HB ALA 542 0.028 3.242 -1.180 456 H VAL 543 H VAL 543 -3.218 2.169 -0.929 457 HA VAL 543 HA VAL 543 -3.967 -0.218 0.278 458 HB VAL 543 HB VAL 543 -5.754 1.967 -0.800 459 HG11 VAL 543 1HG1 VAL 543 -6.398 -0.583 0.333 460 HG12 VAL 543 2HG1 VAL 543 -6.923 0.702 1.423 461 HG13 VAL 543 3HG1 VAL 543 -7.478 0.681 -0.251 462 HG21 VAL 543 3HG2 VAL 543 -5.505 3.077 1.190 463 HG22 VAL 543 1HG2 VAL 543 -5.106 1.610 2.083 464 HG23 VAL 543 2HG2 VAL 543 -3.902 2.357 1.034 465 H GLY 544 H GLY 544 -4.947 1.063 -2.900 466 HA2 GLY 544 1HA GLY 544 -6.658 -0.956 -3.695 467 HA3 GLY 544 2HA GLY 544 -5.659 -0.021 -4.798 468 H VAL 545 H VAL 545 -3.134 -0.920 -3.771 469 HA VAL 545 HA VAL 545 -2.821 -3.271 -5.318 470 HB VAL 545 HB VAL 545 -0.925 -2.036 -3.314 471 HG11 VAL 545 1HG1 VAL 545 -0.581 -4.225 -5.342 472 HG12 VAL 545 2HG1 VAL 545 0.784 -3.274 -4.754 473 HG13 VAL 545 3HG1 VAL 545 -0.173 -4.235 -3.627 474 HG21 VAL 545 3HG2 VAL 545 -0.141 -1.697 -6.036 475 HG22 VAL 545 1HG2 VAL 545 -1.802 -1.136 -5.848 476 HG23 VAL 545 2HG2 VAL 545 -0.525 -0.465 -4.833 477 H VAL 546 H VAL 546 -2.975 -2.678 -1.834 478 HA VAL 546 HA VAL 546 -2.305 -5.217 -0.914 479 HB VAL 546 HB VAL 546 -4.373 -3.422 0.352 480 HG11 VAL 546 1HG1 VAL 546 -3.410 -4.418 2.449 481 HG12 VAL 546 2HG1 VAL 546 -4.306 -5.542 1.427 482 HG13 VAL 546 3HG1 VAL 546 -2.542 -5.559 1.424 483 HG21 VAL 546 3HG2 VAL 546 -1.602 -2.908 -0.178 484 HG22 VAL 546 1HG2 VAL 546 -2.798 -1.873 0.603 485 HG23 VAL 546 2HG2 VAL 546 -1.867 -3.025 1.563 486 H LEU 547 H LEU 547 -5.534 -3.904 -1.640 487 HA LEU 547 HA LEU 547 -7.014 -6.186 -1.035 488 HB2 LEU 547 1HB LEU 547 -7.528 -4.038 -3.086 489 HB3 LEU 547 2HB LEU 547 -8.712 -5.249 -2.599 490 HG LEU 547 HG LEU 547 -7.484 -3.302 -0.661 491 HD11 LEU 547 1HD1 LEU 547 -9.962 -2.349 -0.993 492 HD12 LEU 547 2HD1 LEU 547 -9.654 -2.928 -2.631 493 HD13 LEU 547 3HD1 LEU 547 -8.569 -1.749 -1.895 494 HD21 LEU 547 3HD2 LEU 547 -10.179 -4.474 -0.326 495 HD22 LEU 547 1HD2 LEU 547 -8.937 -4.116 0.873 496 HD23 LEU 547 2HD2 LEU 547 -8.806 -5.563 -0.127 497 H LEU 548 H LEU 548 -5.570 -5.181 -4.120 498 HA LEU 548 HA LEU 548 -6.510 -7.309 -5.677 499 HB2 LEU 548 1HB LEU 548 -5.317 -5.138 -6.374 500 HB3 LEU 548 2HB LEU 548 -3.826 -6.036 -6.093 501 HG LEU 548 HG LEU 548 -4.512 -5.953 -8.472 502 HD11 LEU 548 1HD1 LEU 548 -3.561 -7.948 -8.818 503 HD12 LEU 548 2HD1 LEU 548 -4.796 -8.807 -7.899 504 HD13 LEU 548 3HD1 LEU 548 -3.452 -8.031 -7.060 505 HD21 LEU 548 3HD2 LEU 548 -7.017 -6.177 -7.733 506 HD22 LEU 548 1HD2 LEU 548 -6.686 -7.904 -7.880 507 HD23 LEU 548 2HD2 LEU 548 -6.470 -6.844 -9.272 508 H LEU 549 H LEU 549 -3.675 -7.019 -3.609 509 HA LEU 549 HA LEU 549 -2.350 -9.362 -4.393 510 HB2 LEU 549 1HB LEU 549 -1.565 -7.434 -2.878 511 HB3 LEU 549 2HB LEU 549 -2.340 -8.335 -1.576 512 HG LEU 549 HG LEU 549 -0.143 -9.443 -3.319 513 HD11 LEU 549 1HD1 LEU 549 1.437 -8.782 -1.800 514 HD12 LEU 549 2HD1 LEU 549 0.277 -8.652 -0.480 515 HD13 LEU 549 3HD1 LEU 549 0.334 -7.408 -1.729 516 HD21 LEU 549 3HD2 LEU 549 -0.042 -10.901 -1.114 517 HD22 LEU 549 1HD2 LEU 549 -1.126 -11.305 -2.446 518 HD23 LEU 549 2HD2 LEU 549 -1.748 -10.454 -1.033 519 H VAL 550 H VAL 550 -4.895 -8.802 -2.015 520 HA VAL 550 HA VAL 550 -4.885 -11.359 -0.841 521 HB VAL 550 HB VAL 550 -7.200 -9.442 -1.154 522 HG11 VAL 550 1HG1 VAL 550 -8.180 -10.625 0.750 523 HG12 VAL 550 2HG1 VAL 550 -7.948 -11.704 -0.626 524 HG13 VAL 550 3HG1 VAL 550 -6.832 -11.762 0.740 525 HG21 VAL 550 3HG2 VAL 550 -5.077 -8.646 0.028 526 HG22 VAL 550 1HG2 VAL 550 -6.598 -8.498 0.907 527 HG23 VAL 550 2HG2 VAL 550 -5.487 -9.814 1.285 528 H LEU 551 H LEU 551 -7.158 -10.037 -3.258 529 HA LEU 551 HA LEU 551 -8.533 -12.363 -3.823 530 HB2 LEU 551 1HB LEU 551 -7.879 -9.940 -5.450 531 HB3 LEU 551 2HB LEU 551 -8.752 -11.287 -6.178 532 HG LEU 551 HG LEU 551 -10.302 -9.571 -5.478 533 HD11 LEU 551 1HD1 LEU 551 -11.800 -11.086 -4.833 534 HD12 LEU 551 2HD1 LEU 551 -10.928 -11.435 -3.342 535 HD13 LEU 551 3HD1 LEU 551 -10.472 -12.247 -4.838 536 HD21 LEU 551 3HD2 LEU 551 -8.926 -8.552 -3.727 537 HD22 LEU 551 1HD2 LEU 551 -9.184 -9.965 -2.704 538 HD23 LEU 551 2HD2 LEU 551 -10.545 -8.933 -3.141 539 H ALA 552 H ALA 552 -5.361 -11.370 -4.872 540 HA ALA 552 HA ALA 552 -5.071 -13.212 -7.007 541 HB1 ALA 552 1HB ALA 552 -3.346 -11.362 -5.528 542 HB2 ALA 552 2HB ALA 552 -2.519 -12.783 -6.166 543 HB3 ALA 552 3HB ALA 552 -3.414 -11.721 -7.252 544 H GLY 553 H GLY 553 -3.256 -13.291 -3.940 545 HA2 GLY 553 1HA GLY 553 -2.542 -15.982 -4.107 546 HA3 GLY 553 2HA GLY 553 -2.592 -15.046 -2.620 547 H VAL 554 H VAL 554 -5.128 -14.557 -2.103 548 HA VAL 554 HA VAL 554 -6.147 -16.903 -1.053 549 HB VAL 554 HB VAL 554 -7.698 -14.427 -1.817 550 HG11 VAL 554 1HG1 VAL 554 -8.379 -16.732 -0.002 551 HG12 VAL 554 2HG1 VAL 554 -9.244 -15.192 -0.002 552 HG13 VAL 554 3HG1 VAL 554 -9.242 -16.205 -1.446 553 HG21 VAL 554 3HG2 VAL 554 -7.378 -14.341 0.878 554 HG22 VAL 554 1HG2 VAL 554 -5.851 -15.065 0.372 555 HG23 VAL 554 2HG2 VAL 554 -6.343 -13.501 -0.279 556 H GLY 555 H GLY 555 -6.793 -15.392 -4.173 557 HA2 GLY 555 1HA GLY 555 -8.985 -16.934 -4.969 558 HA3 GLY 555 2HA GLY 555 -7.826 -16.186 -6.061 559 H PHE 556 H PHE 556 -5.523 -17.508 -5.584 560 HA PHE 556 HA PHE 556 -5.868 -19.910 -6.998 561 HB2 PHE 556 1HB PHE 556 -3.746 -19.074 -7.293 562 HB3 PHE 556 2HB PHE 556 -3.595 -18.573 -5.612 563 HD1 PHE 556 1HD PHE 556 -2.870 -20.136 -3.908 564 HD2 PHE 556 2HD PHE 556 -3.180 -21.308 -7.988 565 HE1 PHE 556 1HE PHE 556 -1.531 -22.145 -3.429 566 HE2 PHE 556 2HE PHE 556 -1.844 -23.318 -7.516 567 HZ PHE 556 HZ PHE 556 -1.017 -23.740 -5.234 568 H PHE 557 H PHE 557 -5.802 -19.200 -3.593 569 HA PHE 557 HA PHE 557 -5.404 -21.904 -2.736 570 HB2 PHE 557 1HB PHE 557 -6.284 -19.391 -1.320 571 HB3 PHE 557 2HB PHE 557 -6.197 -20.947 -0.502 572 HD1 PHE 557 1HD PHE 557 -3.762 -22.104 -1.638 573 HD2 PHE 557 2HD PHE 557 -4.589 -18.116 -0.400 574 HE1 PHE 557 1HE PHE 557 -1.367 -21.745 -1.206 575 HE2 PHE 557 2HE PHE 557 -2.194 -17.751 0.032 576 HZ PHE 557 HZ PHE 557 -0.579 -19.566 -0.371 577 H ILE 558 H ILE 558 -7.373 -21.997 -4.604 578 HA ILE 558 HA ILE 558 -9.739 -22.670 -2.986 579 HB ILE 558 HB ILE 558 -10.102 -20.594 -4.343 580 HG12 ILE 558 1HG1 ILE 558 -12.055 -22.202 -5.662 581 HG13 ILE 558 2HG1 ILE 558 -11.742 -22.911 -4.081 582 HG21 ILE 558 1HG2 ILE 558 -9.881 -20.512 -6.593 583 HG22 ILE 558 2HG2 ILE 558 -8.730 -21.815 -6.294 584 HG23 ILE 558 3HG2 ILE 558 -10.373 -22.193 -6.812 585 HD11 ILE 558 3HD1 ILE 558 -12.960 -20.310 -4.791 586 HD12 ILE 558 1HD1 ILE 558 -13.386 -21.456 -3.522 587 HD13 ILE 558 2HD1 ILE 558 -11.996 -20.392 -3.318 588 H HIS 559 H HIS 559 -7.469 -23.559 -5.381 589 HA HIS 559 HA HIS 559 -8.579 -26.229 -5.496 590 HB2 HIS 559 1HB HIS 559 -8.343 -26.175 -8.072 591 HB3 HIS 559 2HB HIS 559 -9.785 -25.468 -7.350 592 HD1 HIS 559 1HD HIS 559 -6.414 -23.774 -7.627 593 HD2 HIS 559 2HD HIS 559 -10.257 -23.488 -9.179 594 HE1 HIS 559 1HE HIS 559 -6.442 -21.644 -8.965 595 H ARG 560 H ARG 560 -6.235 -25.259 -4.333 596 HA ARG 560 HA ARG 560 -3.915 -25.283 -5.805 597 HB2 ARG 560 1HB ARG 560 -4.295 -26.551 -3.085 598 HB3 ARG 560 2HB ARG 560 -2.771 -26.010 -3.775 599 HG2 ARG 560 1HG ARG 560 -3.117 -24.095 -2.711 600 HG3 ARG 560 2HG ARG 560 -4.371 -23.768 -3.909 601 HD2 ARG 560 1HD ARG 560 -5.178 -23.488 -1.601 602 HD3 ARG 560 2HD ARG 560 -6.049 -24.749 -2.472 603 HE ARG 560 HE ARG 560 -3.996 -26.015 -1.129 604 HH11 ARG 560 1HH1 ARG 560 -6.780 -24.091 -0.307 605 HH12 ARG 560 2HH1 ARG 560 -7.015 -24.854 1.230 606 HH21 ARG 560 1HH2 ARG 560 -4.296 -27.025 0.894 607 HH22 ARG 560 2HH2 ARG 560 -5.601 -26.522 1.913 608 H ARG 561 H ARG 561 -5.924 -27.988 -4.860 609 HA ARG 561 HA ARG 561 -4.359 -29.713 -6.631 610 HB2 ARG 561 1HB ARG 561 -4.516 -31.570 -4.961 611 HB3 ARG 561 2HB ARG 561 -3.455 -30.253 -4.478 612 HG2 ARG 561 1HG ARG 561 -4.553 -30.160 -2.560 613 HG3 ARG 561 2HG ARG 561 -5.966 -29.591 -3.453 614 HD2 ARG 561 1HD ARG 561 -6.991 -31.424 -2.694 615 HD3 ARG 561 2HD ARG 561 -6.023 -32.306 -3.875 616 HE ARG 561 HE ARG 561 -4.552 -31.982 -1.494 617 HH11 ARG 561 1HH1 ARG 561 -7.269 -33.737 -2.783 618 HH12 ARG 561 2HH1 ARG 561 -7.077 -35.083 -1.709 619 HH21 ARG 561 1HH2 ARG 561 -4.290 -33.748 -0.073 620 HH22 ARG 561 2HH2 ARG 561 -5.382 -35.087 -0.166 621 H ARG 562 H ARG 562 -6.589 -28.713 -7.551 622 HA ARG 562 HA ARG 562 -9.050 -29.752 -6.905 623 HB2 ARG 562 1HB ARG 562 -9.646 -29.428 -9.301 624 HB3 ARG 562 2HB ARG 562 -8.833 -28.042 -8.587 625 HG2 ARG 562 1HG ARG 562 -6.892 -29.792 -9.751 626 HG3 ARG 562 2HG ARG 562 -8.154 -29.426 -10.929 627 HD2 ARG 562 1HD ARG 562 -7.142 -27.154 -9.336 628 HD3 ARG 562 2HD ARG 562 -6.019 -27.852 -10.502 629 HE ARG 562 HE ARG 562 -8.500 -27.427 -11.749 630 HH11 ARG 562 1HH1 ARG 562 -5.804 -25.647 -10.452 631 HH12 ARG 562 2HH1 ARG 562 -6.015 -24.296 -11.518 632 HH21 ARG 562 1HH2 ARG 562 -8.788 -25.656 -13.158 633 HH22 ARG 562 2HH2 ARG 562 -7.714 -24.303 -13.056 634 H LYS 563 H LYS 563 -6.403 -31.296 -8.590 635 HA LYS 563 HA LYS 563 -7.971 -33.788 -8.651 636 HB2 LYS 563 1HB LYS 563 -6.737 -34.435 -10.688 637 HB3 LYS 563 2HB LYS 563 -7.703 -32.984 -10.928 638 HG2 LYS 563 1HG LYS 563 -5.901 -31.955 -11.685 639 HG3 LYS 563 2HG LYS 563 -5.166 -32.114 -10.089 640 HD2 LYS 563 1HD LYS 563 -4.115 -34.156 -10.681 641 HD3 LYS 563 2HD LYS 563 -5.069 -34.299 -12.160 642 HE2 LYS 563 1HE LYS 563 -3.286 -31.935 -11.753 643 HE3 LYS 563 2HE LYS 563 -2.599 -33.474 -12.272 644 HZ1 LYS 563 3HZ LYS 563 -4.728 -33.158 -13.916 645 HZ2 LYS 563 1HZ LYS 563 -3.125 -32.790 -14.312 646 HZ3 LYS 563 2HZ LYS 563 -4.159 -31.573 -13.756 Start of MODEL 10 1 H1 GLU 523 H GLU 523 2.496 -6.119 -10.007 2 HA GLU 523 HA GLU 523 4.586 -7.249 -10.519 3 HB2 GLU 523 1HB GLU 523 3.533 -6.988 -13.338 4 HB3 GLU 523 2HB GLU 523 5.175 -7.480 -12.949 5 HG2 GLU 523 1HG GLU 523 4.124 -9.343 -11.579 6 HG3 GLU 523 2HG GLU 523 2.613 -8.932 -12.389 7 H PHE 524 H PHE 524 3.103 -4.549 -12.229 8 HA PHE 524 HA PHE 524 5.630 -3.127 -12.394 9 HB2 PHE 524 1HB PHE 524 2.863 -2.672 -13.429 10 HB3 PHE 524 2HB PHE 524 3.948 -1.293 -13.282 11 HD1 PHE 524 2HD PHE 524 3.425 -4.535 -14.937 12 HD2 PHE 524 1HD PHE 524 5.771 -0.988 -14.773 13 HE1 PHE 524 2HE PHE 524 4.457 -5.122 -17.091 14 HE2 PHE 524 1HE PHE 524 6.807 -1.569 -16.928 15 HZ PHE 524 HZ PHE 524 6.152 -3.639 -18.090 16 H GLN 525 H GLN 525 6.162 -1.287 -11.261 17 HA GLN 525 HA GLN 525 4.425 0.154 -9.584 18 HB2 GLN 525 1HB GLN 525 5.486 -0.606 -7.387 19 HB3 GLN 525 2HB GLN 525 4.290 -1.672 -8.109 20 HG2 GLN 525 1HG GLN 525 5.742 -3.336 -8.231 21 HG3 GLN 525 2HG GLN 525 6.923 -2.322 -9.059 22 HE21 GLN 525 2HE2 GLN 525 7.584 -0.473 -7.240 23 HE22 GLN 525 1HE2 GLN 525 8.300 -1.204 -5.847 24 H THR 526 H THR 526 5.751 1.502 -7.938 25 HA THR 526 HA THR 526 8.524 1.905 -8.655 26 HB THR 526 HB THR 526 8.029 4.416 -9.064 27 HG1 THR 526 1HG THR 526 5.903 4.486 -10.272 28 HG21 THR 526 3HG2 THR 526 8.163 4.081 -11.359 29 HG22 THR 526 1HG2 THR 526 7.116 2.662 -11.316 30 HG23 THR 526 2HG2 THR 526 8.773 2.554 -10.721 31 H LEU 527 H LEU 527 9.511 3.683 -7.354 32 HA LEU 527 HA LEU 527 8.300 3.709 -4.686 33 HB2 LEU 527 1HB LEU 527 11.093 4.033 -5.707 34 HB3 LEU 527 2HB LEU 527 10.658 4.618 -4.102 35 HG LEU 527 HG LEU 527 11.687 2.449 -3.923 36 HD11 LEU 527 1HD1 LEU 527 9.669 3.101 -2.508 37 HD12 LEU 527 2HD1 LEU 527 10.107 1.394 -2.557 38 HD13 LEU 527 3HD1 LEU 527 8.751 1.986 -3.517 39 HD21 LEU 527 3HD2 LEU 527 11.103 0.574 -5.121 40 HD22 LEU 527 1HD2 LEU 527 10.852 1.840 -6.323 41 HD23 LEU 527 2HD2 LEU 527 9.474 1.161 -5.456 42 H SER 528 H SER 528 7.251 5.464 -4.061 43 HA SER 528 HA SER 528 8.010 8.055 -5.244 44 HB2 SER 528 1HB SER 528 5.340 6.991 -4.333 45 HB3 SER 528 2HB SER 528 5.625 8.717 -4.553 46 HG SER 528 HG SER 528 5.344 6.714 -6.430 47 HA PRO 529 HA PRO 529 9.043 9.645 -1.288 48 HB2 PRO 529 1HB PRO 529 8.232 12.227 -1.511 49 HB3 PRO 529 2HB PRO 529 9.650 11.588 -2.354 50 HG2 PRO 529 1HG PRO 529 6.877 12.040 -3.388 51 HG3 PRO 529 2HG PRO 529 8.432 12.393 -4.164 52 HD2 PRO 529 1HD PRO 529 6.964 10.202 -4.775 53 HD3 PRO 529 2HD PRO 529 8.739 10.208 -4.832 54 H GLU 530 H GLU 530 8.182 9.806 0.719 55 HA GLU 530 HA GLU 530 5.419 10.631 1.077 56 HB2 GLU 530 1HB GLU 530 5.043 8.527 2.515 57 HB3 GLU 530 2HB GLU 530 4.934 8.366 0.767 58 HG2 GLU 530 1HG GLU 530 7.140 7.418 0.666 59 HG3 GLU 530 2HG GLU 530 7.377 7.698 2.389 60 H GLY 531 H GLY 531 5.846 12.252 2.465 61 HA2 GLY 531 1HA GLY 531 6.249 11.883 5.145 62 HA3 GLY 531 2HA GLY 531 7.870 12.061 4.491 63 H SER 532 H SER 532 4.832 13.672 3.599 64 HA SER 532 HA SER 532 6.197 16.242 3.813 65 HB2 SER 532 1HB SER 532 4.167 17.134 2.676 66 HB3 SER 532 2HB SER 532 4.961 15.854 1.759 67 HG SER 532 HG SER 532 2.449 15.947 2.646 68 H GLY 533 H GLY 533 2.971 15.006 4.726 69 HA2 GLY 533 1HA GLY 533 3.232 16.464 7.270 70 HA3 GLY 533 2HA GLY 533 1.810 16.716 6.268 71 H ASN 534 H ASN 534 0.103 15.650 6.985 72 HA ASN 534 HA ASN 534 0.461 13.278 8.633 73 HB2 ASN 534 1HB ASN 534 -2.035 14.837 7.926 74 HB3 ASN 534 2HB ASN 534 -1.966 13.494 9.063 75 HD21 ASN 534 2HD2 ASN 534 -0.819 16.753 8.435 76 HD22 ASN 534 1HD2 ASN 534 -0.535 17.170 10.087 77 H LEU 535 H LEU 535 -0.397 14.120 5.416 78 HA LEU 535 HA LEU 535 -1.926 11.794 4.795 79 HB2 LEU 535 1HB LEU 535 -0.467 13.786 3.071 80 HB3 LEU 535 2HB LEU 535 -1.433 12.463 2.421 81 HG LEU 535 HG LEU 535 -2.791 14.385 2.308 82 HD11 LEU 535 1HD1 LEU 535 -3.582 12.912 4.817 83 HD12 LEU 535 2HD1 LEU 535 -3.909 12.373 3.170 84 HD13 LEU 535 3HD1 LEU 535 -4.644 13.858 3.774 85 HD21 LEU 535 3HD2 LEU 535 -2.575 14.999 5.212 86 HD22 LEU 535 1HD2 LEU 535 -2.933 16.066 3.854 87 HD23 LEU 535 2HD2 LEU 535 -1.278 15.524 4.138 88 H ALA 536 H ALA 536 1.415 12.411 5.168 89 HA ALA 536 HA ALA 536 2.463 10.462 3.402 90 HB1 ALA 536 1HB ALA 536 3.694 12.386 4.540 91 HB2 ALA 536 2HB ALA 536 3.796 11.328 5.949 92 HB3 ALA 536 3HB ALA 536 4.537 10.840 4.425 93 H VAL 537 H VAL 537 1.316 10.345 6.721 94 HA VAL 537 HA VAL 537 2.331 7.889 7.525 95 HB VAL 537 HB VAL 537 -0.412 8.933 8.228 96 HG11 VAL 537 1HG1 VAL 537 -0.176 6.734 9.043 97 HG12 VAL 537 2HG1 VAL 537 1.491 7.018 9.548 98 HG13 VAL 537 3HG1 VAL 537 0.162 7.787 10.416 99 HG21 VAL 537 3HG2 VAL 537 1.128 9.744 10.275 100 HG22 VAL 537 1HG2 VAL 537 2.285 9.889 8.951 101 HG23 VAL 537 2HG2 VAL 537 0.753 10.759 8.882 102 H ILE 538 H ILE 538 -0.113 8.604 5.206 103 HA ILE 538 HA ILE 538 -1.609 6.237 5.257 104 HB ILE 538 HB ILE 538 -0.958 7.885 2.812 105 HG12 ILE 538 1HG1 ILE 538 -3.281 8.205 4.721 106 HG13 ILE 538 2HG1 ILE 538 -1.844 9.222 4.739 107 HG21 ILE 538 1HG2 ILE 538 -3.334 7.071 2.226 108 HG22 ILE 538 2HG2 ILE 538 -1.986 5.949 2.046 109 HG23 ILE 538 3HG2 ILE 538 -3.045 5.836 3.452 110 HD11 ILE 538 3HD1 ILE 538 -3.216 10.521 3.488 111 HD12 ILE 538 1HD1 ILE 538 -2.498 9.554 2.200 112 HD13 ILE 538 2HD1 ILE 538 -4.099 9.149 2.823 113 H GLY 539 H GLY 539 1.025 7.093 2.996 114 HA2 GLY 539 1HA GLY 539 1.270 4.550 1.847 115 HA3 GLY 539 2HA GLY 539 2.527 5.779 1.864 116 H GLY 540 H GLY 540 2.968 5.974 4.620 117 HA2 GLY 540 1HA GLY 540 4.873 4.028 5.069 118 HA3 GLY 540 2HA GLY 540 4.112 4.972 6.342 119 H VAL 541 H VAL 541 1.560 4.099 6.379 120 HA VAL 541 HA VAL 541 1.838 1.515 7.595 121 HB VAL 541 HB VAL 541 -0.687 3.093 7.080 122 HG11 VAL 541 1HG1 VAL 541 -0.055 0.690 8.763 123 HG12 VAL 541 2HG1 VAL 541 -1.429 1.739 9.126 124 HG13 VAL 541 3HG1 VAL 541 -1.341 0.902 7.576 125 HG21 VAL 541 3HG2 VAL 541 1.497 3.569 8.887 126 HG22 VAL 541 1HG2 VAL 541 0.044 4.530 8.610 127 HG23 VAL 541 2HG2 VAL 541 0.023 3.220 9.789 128 H ALA 542 H ALA 542 -0.128 2.754 4.887 129 HA ALA 542 HA ALA 542 -1.281 0.407 4.043 130 HB1 ALA 542 1HB ALA 542 -1.857 1.505 2.121 131 HB2 ALA 542 2HB ALA 542 -1.440 2.877 3.150 132 HB3 ALA 542 3HB ALA 542 -0.281 2.283 1.961 133 H VAL 543 H VAL 543 1.701 1.793 2.648 134 HA VAL 543 HA VAL 543 2.399 -0.390 1.078 135 HB VAL 543 HB VAL 543 4.227 1.605 2.419 136 HG11 VAL 543 1HG1 VAL 543 5.339 0.678 0.012 137 HG12 VAL 543 2HG1 VAL 543 5.929 0.403 1.652 138 HG13 VAL 543 3HG1 VAL 543 4.826 -0.753 0.906 139 HG21 VAL 543 3HG2 VAL 543 3.429 1.642 -0.462 140 HG22 VAL 543 1HG2 VAL 543 2.361 2.329 0.761 141 HG23 VAL 543 2HG2 VAL 543 3.995 2.963 0.561 142 H GLY 544 H GLY 544 3.462 0.393 4.387 143 HA2 GLY 544 1HA GLY 544 5.182 -1.728 4.824 144 HA3 GLY 544 2HA GLY 544 4.214 -0.966 6.080 145 H VAL 545 H VAL 545 1.663 -1.697 4.964 146 HA VAL 545 HA VAL 545 1.383 -4.265 6.146 147 HB VAL 545 HB VAL 545 -0.571 -2.707 4.449 148 HG11 VAL 545 1HG1 VAL 545 -2.268 -4.150 5.595 149 HG12 VAL 545 2HG1 VAL 545 -1.238 -4.996 4.439 150 HG13 VAL 545 3HG1 VAL 545 -0.935 -5.151 6.170 151 HG21 VAL 545 3HG2 VAL 545 -1.084 -1.497 6.255 152 HG22 VAL 545 1HG2 VAL 545 -1.100 -2.917 7.298 153 HG23 VAL 545 2HG2 VAL 545 0.421 -2.095 6.951 154 H VAL 546 H VAL 546 1.499 -3.114 2.812 155 HA VAL 546 HA VAL 546 0.751 -5.477 1.518 156 HB VAL 546 HB VAL 546 2.770 -3.502 0.462 157 HG11 VAL 546 1HG1 VAL 546 0.860 -5.435 -0.829 158 HG12 VAL 546 2HG1 VAL 546 1.657 -4.132 -1.713 159 HG13 VAL 546 3HG1 VAL 546 2.619 -5.400 -0.950 160 HG21 VAL 546 3HG2 VAL 546 0.023 -3.073 1.199 161 HG22 VAL 546 1HG2 VAL 546 1.211 -1.923 0.586 162 HG23 VAL 546 2HG2 VAL 546 0.235 -2.867 -0.539 163 H LEU 547 H LEU 547 3.994 -4.280 2.365 164 HA LEU 547 HA LEU 547 5.460 -6.415 1.325 165 HB2 LEU 547 1HB LEU 547 6.080 -4.693 3.720 166 HB3 LEU 547 2HB LEU 547 7.236 -5.719 2.875 167 HG LEU 547 HG LEU 547 5.808 -3.394 1.591 168 HD11 LEU 547 1HD1 LEU 547 7.214 -1.999 2.583 169 HD12 LEU 547 2HD1 LEU 547 8.585 -2.921 1.970 170 HD13 LEU 547 3HD1 LEU 547 7.871 -3.335 3.528 171 HD21 LEU 547 3HD2 LEU 547 7.934 -5.315 0.749 172 HD22 LEU 547 1HD2 LEU 547 7.921 -3.679 0.092 173 HD23 LEU 547 2HD2 LEU 547 6.527 -4.734 -0.142 174 H LEU 548 H LEU 548 4.164 -5.931 4.600 175 HA LEU 548 HA LEU 548 5.159 -8.249 5.774 176 HB2 LEU 548 1HB LEU 548 3.909 -6.256 6.815 177 HB3 LEU 548 2HB LEU 548 2.443 -7.149 6.416 178 HG LEU 548 HG LEU 548 3.154 -7.421 8.768 179 HD11 LEU 548 1HD1 LEU 548 3.551 -10.131 7.733 180 HD12 LEU 548 2HD1 LEU 548 2.153 -9.290 7.067 181 HD13 LEU 548 3HD1 LEU 548 2.310 -9.494 8.811 182 HD21 LEU 548 3HD2 LEU 548 5.676 -7.497 7.859 183 HD22 LEU 548 1HD2 LEU 548 5.359 -9.228 7.996 184 HD23 LEU 548 2HD2 LEU 548 5.184 -8.185 9.408 185 H LEU 549 H LEU 549 2.143 -7.729 3.988 186 HA LEU 549 HA LEU 549 0.991 -10.236 4.364 187 HB2 LEU 549 1HB LEU 549 0.059 -8.110 3.241 188 HB3 LEU 549 2HB LEU 549 0.788 -8.751 1.768 189 HG LEU 549 HG LEU 549 -1.279 -10.207 3.411 190 HD11 LEU 549 1HD1 LEU 549 -1.878 -7.971 2.153 191 HD12 LEU 549 2HD1 LEU 549 -2.949 -9.370 2.101 192 HD13 LEU 549 3HD1 LEU 549 -1.873 -9.034 0.745 193 HD21 LEU 549 3HD2 LEU 549 -1.443 -11.332 1.032 194 HD22 LEU 549 1HD2 LEU 549 -0.257 -11.871 2.222 195 HD23 LEU 549 2HD2 LEU 549 0.232 -10.790 0.915 196 H VAL 550 H VAL 550 3.376 -9.154 1.998 197 HA VAL 550 HA VAL 550 3.408 -11.428 0.366 198 HB VAL 550 HB VAL 550 5.693 -9.564 1.026 199 HG11 VAL 550 1HG1 VAL 550 6.657 -10.331 -1.101 200 HG12 VAL 550 2HG1 VAL 550 6.506 -11.643 0.069 201 HG13 VAL 550 3HG1 VAL 550 5.352 -11.506 -1.257 202 HG21 VAL 550 3HG2 VAL 550 4.689 -8.048 -0.251 203 HG22 VAL 550 1HG2 VAL 550 4.568 -9.204 -1.578 204 HG23 VAL 550 2HG2 VAL 550 3.285 -9.110 -0.372 205 H LEU 551 H LEU 551 5.631 -10.593 3.031 206 HA LEU 551 HA LEU 551 7.115 -12.912 3.086 207 HB2 LEU 551 1HB LEU 551 6.299 -10.974 5.211 208 HB3 LEU 551 2HB LEU 551 7.227 -12.410 5.634 209 HG LEU 551 HG LEU 551 8.699 -10.512 5.403 210 HD11 LEU 551 1HD1 LEU 551 9.298 -12.858 4.532 211 HD12 LEU 551 2HD1 LEU 551 10.328 -11.502 4.073 212 HD13 LEU 551 3HD1 LEU 551 9.147 -12.138 2.929 213 HD21 LEU 551 3HD2 LEU 551 7.641 -10.288 2.587 214 HD22 LEU 551 1HD2 LEU 551 8.957 -9.339 3.280 215 HD23 LEU 551 2HD2 LEU 551 7.319 -9.162 3.907 216 H ALA 552 H ALA 552 3.900 -12.330 4.338 217 HA ALA 552 HA ALA 552 3.695 -14.680 5.910 218 HB1 ALA 552 1HB ALA 552 2.212 -12.783 6.248 219 HB2 ALA 552 2HB ALA 552 1.519 -13.019 4.642 220 HB3 ALA 552 3HB ALA 552 1.284 -14.241 5.894 221 H GLY 553 H GLY 553 1.771 -14.018 2.990 222 HA2 GLY 553 1HA GLY 553 1.107 -16.635 2.416 223 HA3 GLY 553 2HA GLY 553 1.208 -15.360 1.211 224 H VAL 554 H VAL 554 3.853 -14.798 1.088 225 HA VAL 554 HA VAL 554 4.862 -16.907 -0.488 226 HB VAL 554 HB VAL 554 6.398 -14.588 0.689 227 HG11 VAL 554 1HG1 VAL 554 7.903 -14.937 -1.228 228 HG12 VAL 554 2HG1 VAL 554 7.860 -16.332 -0.147 229 HG13 VAL 554 3HG1 VAL 554 6.978 -16.370 -1.673 230 HG21 VAL 554 3HG2 VAL 554 5.934 -13.431 -1.401 231 HG22 VAL 554 1HG2 VAL 554 4.979 -14.804 -1.964 232 HG23 VAL 554 2HG2 VAL 554 4.430 -13.854 -0.583 233 H GLY 555 H GLY 555 5.510 -15.893 2.832 234 HA2 GLY 555 1HA GLY 555 7.716 -17.583 3.308 235 HA3 GLY 555 2HA GLY 555 6.662 -16.906 4.541 236 H PHE 556 H PHE 556 4.346 -18.258 3.080 237 HA PHE 556 HA PHE 556 4.592 -20.782 4.515 238 HB2 PHE 556 1HB PHE 556 2.564 -19.562 4.932 239 HB3 PHE 556 2HB PHE 556 2.243 -19.402 3.209 240 HD1 PHE 556 1HD PHE 556 1.448 -21.307 1.910 241 HD2 PHE 556 2HD PHE 556 2.063 -21.584 6.112 242 HE1 PHE 556 1HE PHE 556 0.115 -23.375 1.965 243 HE2 PHE 556 2HE PHE 556 0.733 -23.654 6.173 244 HZ PHE 556 HZ PHE 556 -0.243 -24.551 4.098 245 H PHE 557 H PHE 557 4.365 -19.548 1.259 246 HA PHE 557 HA PHE 557 3.893 -22.121 0.061 247 HB2 PHE 557 1HB PHE 557 4.507 -19.383 -1.023 248 HB3 PHE 557 2HB PHE 557 4.486 -20.795 -2.074 249 HD1 PHE 557 2HD PHE 557 2.293 -22.336 -1.598 250 HD2 PHE 557 1HD PHE 557 2.599 -18.129 -1.020 251 HE1 PHE 557 2HE PHE 557 -0.148 -22.130 -1.824 252 HE2 PHE 557 1HE PHE 557 0.157 -17.918 -1.244 253 HZ PHE 557 HZ PHE 557 -1.218 -19.920 -1.647 254 H ILE 558 H ILE 558 6.487 -20.979 1.604 255 HA ILE 558 HA ILE 558 8.479 -21.980 -0.296 256 HB ILE 558 HB ILE 558 8.810 -19.787 0.932 257 HG12 ILE 558 1HG1 ILE 558 11.110 -21.471 1.712 258 HG13 ILE 558 2HG1 ILE 558 10.600 -21.623 0.033 259 HG21 ILE 558 1HG2 ILE 558 8.992 -19.669 3.168 260 HG22 ILE 558 2HG2 ILE 558 8.105 -21.191 3.142 261 HG23 ILE 558 3HG2 ILE 558 9.864 -21.197 3.281 262 HD11 ILE 558 3HD1 ILE 558 11.656 -19.752 -0.469 263 HD12 ILE 558 1HD1 ILE 558 10.690 -18.863 0.709 264 HD13 ILE 558 2HD1 ILE 558 12.203 -19.625 1.203 265 H HIS 559 H HIS 559 6.646 -23.040 2.319 266 HA HIS 559 HA HIS 559 8.513 -25.273 2.780 267 HB2 HIS 559 1HB HIS 559 7.938 -25.355 5.077 268 HB3 HIS 559 2HB HIS 559 8.236 -23.655 4.727 269 HD1 HIS 559 1HD HIS 559 5.366 -26.060 5.259 270 HD2 HIS 559 2HD HIS 559 6.140 -21.978 5.270 271 HE1 HIS 559 1HE HIS 559 3.271 -24.981 6.136 272 H ARG 560 H ARG 560 5.192 -24.210 2.427 273 HA ARG 560 HA ARG 560 3.762 -26.481 2.978 274 HB2 ARG 560 1HB ARG 560 2.034 -25.619 1.641 275 HB3 ARG 560 2HB ARG 560 2.927 -24.198 2.171 276 HG2 ARG 560 1HG ARG 560 2.709 -23.685 -0.026 277 HG3 ARG 560 2HG ARG 560 4.206 -24.616 -0.113 278 HD2 ARG 560 1HD ARG 560 3.250 -26.187 -1.371 279 HD3 ARG 560 2HD ARG 560 1.881 -26.328 -0.270 280 HE ARG 560 HE ARG 560 1.336 -24.051 -1.605 281 HH11 ARG 560 1HH1 ARG 560 2.211 -27.255 -2.650 282 HH12 ARG 560 2HH1 ARG 560 1.333 -27.150 -4.140 283 HH21 ARG 560 1HH2 ARG 560 0.177 -23.901 -3.562 284 HH22 ARG 560 2HH2 ARG 560 0.176 -25.241 -4.658 285 H ARG 561 H ARG 561 3.528 -28.454 2.117 286 HA ARG 561 HA ARG 561 4.010 -30.300 0.866 287 HB2 ARG 561 1HB ARG 561 3.549 -28.211 -1.258 288 HB3 ARG 561 2HB ARG 561 3.837 -29.900 -1.651 289 HG2 ARG 561 1HG ARG 561 1.835 -29.946 0.285 290 HG3 ARG 561 2HG ARG 561 1.421 -28.600 -0.780 291 HD2 ARG 561 1HD ARG 561 1.461 -30.023 -2.703 292 HD3 ARG 561 2HD ARG 561 2.119 -31.361 -1.762 293 HE ARG 561 HE ARG 561 -0.371 -30.510 -0.707 294 HH11 ARG 561 1HH1 ARG 561 1.048 -32.305 -3.330 295 HH12 ARG 561 2HH1 ARG 561 -0.342 -33.311 -3.568 296 HH21 ARG 561 1HH2 ARG 561 -2.209 -31.828 -1.010 297 HH22 ARG 561 2HH2 ARG 561 -2.194 -33.038 -2.247 298 H ARG 562 H ARG 562 6.275 -29.109 1.922 299 HA ARG 562 HA ARG 562 8.358 -28.383 0.337 300 HB2 ARG 562 1HB ARG 562 9.858 -29.480 1.970 301 HB3 ARG 562 2HB ARG 562 8.583 -28.545 2.742 302 HG2 ARG 562 1HG ARG 562 7.761 -31.280 2.349 303 HG3 ARG 562 2HG ARG 562 9.275 -31.187 3.250 304 HD2 ARG 562 1HD ARG 562 8.003 -29.318 4.579 305 HD3 ARG 562 2HD ARG 562 6.575 -30.141 3.955 306 HE ARG 562 HE ARG 562 8.375 -31.087 5.988 307 HH11 ARG 562 1HH1 ARG 562 6.033 -31.999 3.577 308 HH12 ARG 562 2HH1 ARG 562 5.630 -33.497 4.348 309 HH21 ARG 562 1HH2 ARG 562 7.852 -33.057 7.012 310 HH22 ARG 562 2HH2 ARG 562 6.664 -34.099 6.302 311 H LYS 563 H LYS 563 9.673 -29.284 -1.147 312 HA LYS 563 HA LYS 563 10.138 -30.723 -2.883 313 HB2 LYS 563 1HB LYS 563 11.379 -32.634 -2.151 314 HB3 LYS 563 2HB LYS 563 11.669 -31.340 -0.994 315 HG2 LYS 563 1HG LYS 563 9.458 -33.213 -0.396 316 HG3 LYS 563 2HG LYS 563 11.105 -33.830 -0.259 317 HD2 LYS 563 1HD LYS 563 10.619 -31.191 0.963 318 HD3 LYS 563 2HD LYS 563 9.802 -32.554 1.731 319 HE2 LYS 563 1HE LYS 563 11.740 -32.791 2.844 320 HE3 LYS 563 2HE LYS 563 12.287 -33.577 1.363 321 HZ1 LYS 563 3HZ LYS 563 13.229 -31.505 0.619 322 HZ2 LYS 563 1HZ LYS 563 13.836 -31.871 2.156 323 HZ3 LYS 563 2HZ LYS 563 12.636 -30.692 1.979 324 H1 GLU 523 H GLU 523 9.982 26.602 -12.533 325 HA GLU 523 HA GLU 523 10.178 24.703 -14.776 326 HB2 GLU 523 1HB GLU 523 11.088 24.544 -11.930 327 HB3 GLU 523 2HB GLU 523 10.653 23.066 -12.777 328 HG2 GLU 523 1HG GLU 523 12.389 23.270 -14.297 329 HG3 GLU 523 2HG GLU 523 12.588 24.995 -13.987 330 H PHE 524 H PHE 524 8.918 24.471 -11.458 331 HA PHE 524 HA PHE 524 6.294 23.747 -12.571 332 HB2 PHE 524 1HB PHE 524 6.063 21.959 -10.929 333 HB3 PHE 524 2HB PHE 524 7.492 21.689 -11.923 334 HD1 PHE 524 2HD PHE 524 9.746 22.422 -10.965 335 HD2 PHE 524 1HD PHE 524 6.223 21.982 -8.616 336 HE1 PHE 524 2HE PHE 524 11.125 22.247 -8.935 337 HE2 PHE 524 1HE PHE 524 7.597 21.807 -6.582 338 HZ PHE 524 HZ PHE 524 10.051 21.938 -6.740 339 H GLN 525 H GLN 525 4.610 24.729 -11.632 340 HA GLN 525 HA GLN 525 4.446 25.458 -8.922 341 HB2 GLN 525 1HB GLN 525 4.449 27.987 -9.343 342 HB3 GLN 525 2HB GLN 525 6.008 27.179 -9.247 343 HG2 GLN 525 1HG GLN 525 6.047 28.747 -11.052 344 HG3 GLN 525 2HG GLN 525 6.086 27.112 -11.712 345 HE21 GLN 525 2HE2 GLN 525 4.769 26.724 -13.332 346 HE22 GLN 525 1HE2 GLN 525 3.329 27.601 -13.711 347 H THR 526 H THR 526 2.634 27.281 -8.699 348 HA THR 526 HA THR 526 0.670 27.205 -10.821 349 HB THR 526 HB THR 526 -1.098 26.352 -9.135 350 HG1 THR 526 1HG THR 526 -0.375 25.408 -7.366 351 HG21 THR 526 3HG2 THR 526 -0.934 24.187 -10.006 352 HG22 THR 526 1HG2 THR 526 0.827 24.240 -10.056 353 HG23 THR 526 2HG2 THR 526 -0.117 25.183 -11.210 354 H LEU 527 H LEU 527 -1.385 28.365 -10.096 355 HA LEU 527 HA LEU 527 -1.100 30.192 -7.881 356 HB2 LEU 527 1HB LEU 527 -1.483 32.169 -9.476 357 HB3 LEU 527 2HB LEU 527 0.148 31.529 -9.294 358 HG LEU 527 HG LEU 527 -0.631 32.147 -11.644 359 HD11 LEU 527 1HD1 LEU 527 0.215 29.313 -11.667 360 HD12 LEU 527 2HD1 LEU 527 1.235 30.449 -10.785 361 HD13 LEU 527 3HD1 LEU 527 0.898 30.712 -12.496 362 HD21 LEU 527 3HD2 LEU 527 -2.002 29.474 -11.508 363 HD22 LEU 527 1HD2 LEU 527 -2.015 30.646 -12.826 364 HD23 LEU 527 2HD2 LEU 527 -2.865 31.002 -11.323 365 H SER 528 H SER 528 -2.951 28.122 -8.969 366 HA SER 528 HA SER 528 -5.392 29.768 -8.931 367 HB2 SER 528 1HB SER 528 -4.856 27.324 -10.634 368 HB3 SER 528 2HB SER 528 -6.442 28.072 -10.444 369 HG SER 528 HG SER 528 -4.718 28.699 -12.230 370 HA PRO 529 HA PRO 529 -6.810 27.237 -5.639 371 HB2 PRO 529 1HB PRO 529 -9.483 27.193 -6.105 372 HB3 PRO 529 2HB PRO 529 -8.636 28.627 -5.512 373 HG2 PRO 529 1HG PRO 529 -9.503 27.957 -8.298 374 HG3 PRO 529 2HG PRO 529 -9.614 29.500 -7.432 375 HD2 PRO 529 1HD PRO 529 -7.671 28.984 -9.245 376 HD3 PRO 529 2HD PRO 529 -7.407 30.029 -7.835 377 H GLU 530 H GLU 530 -5.825 25.250 -6.251 378 HA GLU 530 HA GLU 530 -7.755 23.281 -7.238 379 HB2 GLU 530 1HB GLU 530 -4.889 23.268 -8.172 380 HB3 GLU 530 2HB GLU 530 -6.222 22.285 -8.760 381 HG2 GLU 530 1HG GLU 530 -7.189 24.736 -9.283 382 HG3 GLU 530 2HG GLU 530 -5.460 25.047 -9.431 383 H GLY 531 H GLY 531 -5.947 21.107 -7.254 384 HA2 GLY 531 1HA GLY 531 -4.322 20.138 -5.664 385 HA3 GLY 531 2HA GLY 531 -5.209 20.968 -4.395 386 H SER 532 H SER 532 -4.853 18.093 -6.115 387 HA SER 532 HA SER 532 -7.452 17.097 -5.149 388 HB2 SER 532 1HB SER 532 -7.474 15.516 -6.906 389 HB3 SER 532 2HB SER 532 -6.902 17.007 -7.657 390 HG SER 532 HG SER 532 -5.600 14.620 -7.261 391 H GLY 533 H GLY 533 -5.182 17.368 -3.443 392 HA2 GLY 533 1HA GLY 533 -4.105 16.160 -1.814 393 HA3 GLY 533 2HA GLY 533 -5.164 14.822 -2.233 394 H ASN 534 H ASN 534 -2.152 16.449 -3.108 395 HA ASN 534 HA ASN 534 -1.236 14.587 -4.986 396 HB2 ASN 534 1HB ASN 534 0.142 16.563 -3.191 397 HB3 ASN 534 2HB ASN 534 1.082 15.465 -4.198 398 HD21 ASN 534 2HD2 ASN 534 -1.309 18.026 -4.225 399 HD22 ASN 534 1HD2 ASN 534 -1.011 18.544 -5.848 400 H LEU 535 H LEU 535 -1.283 14.519 -1.511 401 HA LEU 535 HA LEU 535 0.484 12.202 -1.405 402 HB2 LEU 535 1HB LEU 535 -0.897 13.766 0.770 403 HB3 LEU 535 2HB LEU 535 0.177 12.396 1.047 404 HG LEU 535 HG LEU 535 1.489 14.284 1.476 405 HD11 LEU 535 1HD1 LEU 535 2.048 13.588 -1.402 406 HD12 LEU 535 2HD1 LEU 535 2.557 12.630 -0.013 407 HD13 LEU 535 3HD1 LEU 535 3.185 14.263 -0.237 408 HD21 LEU 535 3HD2 LEU 535 -0.238 15.789 0.258 409 HD22 LEU 535 1HD2 LEU 535 0.822 15.579 -1.135 410 HD23 LEU 535 2HD2 LEU 535 1.448 16.301 0.346 411 H ALA 536 H ALA 536 -2.859 12.967 -1.464 412 HA ALA 536 HA ALA 536 -3.922 10.755 -0.088 413 HB1 ALA 536 1HB ALA 536 -5.998 11.339 -1.004 414 HB2 ALA 536 2HB ALA 536 -5.123 12.865 -0.872 415 HB3 ALA 536 3HB ALA 536 -5.263 12.060 -2.436 416 H VAL 537 H VAL 537 -2.832 11.175 -3.406 417 HA VAL 537 HA VAL 537 -3.905 8.911 -4.593 418 HB VAL 537 HB VAL 537 -1.139 9.991 -5.140 419 HG11 VAL 537 1HG1 VAL 537 -3.097 8.366 -6.742 420 HG12 VAL 537 2HG1 VAL 537 -1.750 9.236 -7.481 421 HG13 VAL 537 3HG1 VAL 537 -1.437 7.962 -6.303 422 HG21 VAL 537 3HG2 VAL 537 -2.175 11.924 -5.592 423 HG22 VAL 537 1HG2 VAL 537 -2.807 11.095 -7.016 424 HG23 VAL 537 2HG2 VAL 537 -3.774 11.182 -5.544 425 H ILE 538 H ILE 538 -1.370 9.180 -2.258 426 HA ILE 538 HA ILE 538 0.031 6.804 -2.713 427 HB ILE 538 HB ILE 538 -0.518 8.079 -0.030 428 HG12 ILE 538 1HG1 ILE 538 1.815 8.561 -1.892 429 HG13 ILE 538 2HG1 ILE 538 0.423 9.632 -1.769 430 HG21 ILE 538 1HG2 ILE 538 0.424 6.020 0.450 431 HG22 ILE 538 2HG2 ILE 538 1.430 6.028 -0.998 432 HG23 ILE 538 3HG2 ILE 538 1.839 7.072 0.364 433 HD11 ILE 538 3HD1 ILE 538 1.075 9.582 0.791 434 HD12 ILE 538 1HD1 ILE 538 2.659 9.195 0.122 435 HD13 ILE 538 2HD1 ILE 538 1.843 10.686 -0.350 436 H GLY 539 H GLY 539 -2.556 7.372 -0.312 437 HA2 GLY 539 1HA GLY 539 -2.858 4.692 0.445 438 HA3 GLY 539 2HA GLY 539 -4.081 5.940 0.629 439 H GLY 540 H GLY 540 -4.520 6.556 -2.073 440 HA2 GLY 540 1HA GLY 540 -6.490 4.757 -2.788 441 HA3 GLY 540 2HA GLY 540 -5.701 5.852 -3.914 442 H VAL 541 H VAL 541 -3.183 4.918 -4.107 443 HA VAL 541 HA VAL 541 -3.546 2.544 -5.677 444 HB VAL 541 HB VAL 541 -0.988 3.991 -4.972 445 HG11 VAL 541 1HG1 VAL 541 -0.394 1.837 -5.710 446 HG12 VAL 541 2HG1 VAL 541 -1.636 1.834 -6.963 447 HG13 VAL 541 3HG1 VAL 541 -0.221 2.875 -7.124 448 HG21 VAL 541 3HG2 VAL 541 -2.812 4.261 -7.361 449 HG22 VAL 541 1HG2 VAL 541 -2.513 5.476 -6.117 450 HG23 VAL 541 2HG2 VAL 541 -1.218 5.003 -7.216 451 H ALA 542 H ALA 542 -1.535 3.326 -2.836 452 HA ALA 542 HA ALA 542 -0.441 0.852 -2.349 453 HB1 ALA 542 1HB ALA 542 -1.387 2.430 -0.010 454 HB2 ALA 542 2HB ALA 542 0.170 1.647 -0.292 455 HB3 ALA 542 3HB ALA 542 -0.215 3.162 -1.108 456 H VAL 543 H VAL 543 -3.386 2.095 -0.756 457 HA VAL 543 HA VAL 543 -4.136 -0.271 0.493 458 HB VAL 543 HB VAL 543 -5.914 1.938 -0.550 459 HG11 VAL 543 1HG1 VAL 543 -6.569 -0.596 0.621 460 HG12 VAL 543 2HG1 VAL 543 -7.059 0.710 1.701 461 HG13 VAL 543 3HG1 VAL 543 -7.644 0.673 0.037 462 HG21 VAL 543 3HG2 VAL 543 -4.277 2.757 1.027 463 HG22 VAL 543 1HG2 VAL 543 -5.863 2.710 1.799 464 HG23 VAL 543 2HG2 VAL 543 -4.670 1.461 2.157 465 H GLY 544 H GLY 544 -5.190 0.999 -2.668 466 HA2 GLY 544 1HA GLY 544 -6.953 -1.001 -3.392 467 HA3 GLY 544 2HA GLY 544 -5.974 -0.090 -4.531 468 H VAL 545 H VAL 545 -3.435 -1.024 -3.549 469 HA VAL 545 HA VAL 545 -3.211 -3.399 -5.087 470 HB VAL 545 HB VAL 545 -1.221 -2.145 -3.190 471 HG11 VAL 545 1HG1 VAL 545 0.391 -3.440 -4.745 472 HG12 VAL 545 2HG1 VAL 545 -0.441 -4.316 -3.458 473 HG13 VAL 545 3HG1 VAL 545 -1.023 -4.426 -5.120 474 HG21 VAL 545 3HG2 VAL 545 -2.192 -1.277 -5.691 475 HG22 VAL 545 1HG2 VAL 545 -0.841 -0.625 -4.764 476 HG23 VAL 545 2HG2 VAL 545 -0.560 -1.889 -5.961 477 H VAL 546 H VAL 546 -3.312 -2.737 -1.624 478 HA VAL 546 HA VAL 546 -2.610 -5.283 -0.690 479 HB VAL 546 HB VAL 546 -4.573 -3.436 0.661 480 HG11 VAL 546 1HG1 VAL 546 -3.447 -4.393 2.708 481 HG12 VAL 546 2HG1 VAL 546 -4.449 -5.516 1.788 482 HG13 VAL 546 3HG1 VAL 546 -2.693 -5.573 1.637 483 HG21 VAL 546 3HG2 VAL 546 -2.029 -2.987 1.722 484 HG22 VAL 546 1HG2 VAL 546 -1.816 -2.970 -0.030 485 HG23 VAL 546 2HG2 VAL 546 -2.979 -1.883 0.727 486 H LEU 547 H LEU 547 -5.806 -3.898 -1.395 487 HA LEU 547 HA LEU 547 -7.337 -6.114 -0.637 488 HB2 LEU 547 1HB LEU 547 -7.820 -3.920 -2.635 489 HB3 LEU 547 2HB LEU 547 -9.024 -5.157 -2.278 490 HG LEU 547 HG LEU 547 -7.877 -3.412 -0.118 491 HD11 LEU 547 1HD1 LEU 547 -9.854 -2.729 -2.209 492 HD12 LEU 547 2HD1 LEU 547 -8.751 -1.693 -1.305 493 HD13 LEU 547 3HD1 LEU 547 -10.241 -2.261 -0.553 494 HD21 LEU 547 3HD2 LEU 547 -10.217 -3.917 0.799 495 HD22 LEU 547 1HD2 LEU 547 -9.029 -5.221 0.805 496 HD23 LEU 547 2HD2 LEU 547 -10.281 -5.177 -0.435 497 H LEU 548 H LEU 548 -5.996 -5.224 -3.804 498 HA LEU 548 HA LEU 548 -7.057 -7.331 -5.290 499 HB2 LEU 548 1HB LEU 548 -5.758 -5.246 -6.050 500 HB3 LEU 548 2HB LEU 548 -4.315 -6.219 -5.777 501 HG LEU 548 HG LEU 548 -5.031 -6.148 -8.144 502 HD11 LEU 548 1HD1 LEU 548 -4.222 -8.211 -8.471 503 HD12 LEU 548 2HD1 LEU 548 -5.481 -8.967 -7.497 504 HD13 LEU 548 3HD1 LEU 548 -4.071 -8.255 -6.714 505 HD21 LEU 548 3HD2 LEU 548 -7.074 -6.785 -8.878 506 HD22 LEU 548 1HD2 LEU 548 -7.552 -6.295 -7.252 507 HD23 LEU 548 2HD2 LEU 548 -7.272 -7.999 -7.613 508 H LEU 549 H LEU 549 -4.066 -7.142 -3.407 509 HA LEU 549 HA LEU 549 -2.973 -9.608 -4.139 510 HB2 LEU 549 1HB LEU 549 -1.971 -7.673 -2.761 511 HB3 LEU 549 2HB LEU 549 -2.709 -8.474 -1.377 512 HG LEU 549 HG LEU 549 -0.690 -9.760 -3.212 513 HD11 LEU 549 1HD1 LEU 549 -0.022 -7.735 -1.669 514 HD12 LEU 549 2HD1 LEU 549 1.002 -9.164 -1.799 515 HD13 LEU 549 3HD1 LEU 549 -0.072 -8.971 -0.412 516 HD21 LEU 549 3HD2 LEU 549 -0.559 -11.204 -1.011 517 HD22 LEU 549 1HD2 LEU 549 -1.759 -11.540 -2.259 518 HD23 LEU 549 2HD2 LEU 549 -2.218 -10.636 -0.815 519 H VAL 550 H VAL 550 -5.301 -8.767 -1.621 520 HA VAL 550 HA VAL 550 -5.397 -11.222 -0.288 521 HB VAL 550 HB VAL 550 -7.642 -9.243 -0.708 522 HG11 VAL 550 1HG1 VAL 550 -7.326 -11.425 1.352 523 HG12 VAL 550 2HG1 VAL 550 -8.628 -10.234 1.300 524 HG13 VAL 550 3HG1 VAL 550 -8.468 -11.424 0.009 525 HG21 VAL 550 3HG2 VAL 550 -6.558 -7.900 0.690 526 HG22 VAL 550 1HG2 VAL 550 -6.538 -9.175 1.910 527 HG23 VAL 550 2HG2 VAL 550 -5.214 -9.042 0.750 528 H LEU 551 H LEU 551 -7.646 -10.014 -2.784 529 HA LEU 551 HA LEU 551 -9.156 -12.291 -3.123 530 HB2 LEU 551 1HB LEU 551 -8.356 -10.091 -4.983 531 HB3 LEU 551 2HB LEU 551 -9.307 -11.450 -5.579 532 HG LEU 551 HG LEU 551 -10.753 -9.586 -5.066 533 HD11 LEU 551 1HD1 LEU 551 -12.362 -10.878 -4.186 534 HD12 LEU 551 2HD1 LEU 551 -11.409 -11.266 -2.753 535 HD13 LEU 551 3HD1 LEU 551 -11.141 -12.147 -4.256 536 HD21 LEU 551 3HD2 LEU 551 -9.340 -8.462 -3.427 537 HD22 LEU 551 1HD2 LEU 551 -9.639 -9.758 -2.268 538 HD23 LEU 551 2HD2 LEU 551 -10.965 -8.720 -2.791 539 H ALA 552 H ALA 552 -5.974 -11.553 -4.403 540 HA ALA 552 HA ALA 552 -5.796 -13.629 -6.291 541 HB1 ALA 552 1HB ALA 552 -3.987 -12.399 -6.700 542 HB2 ALA 552 2HB ALA 552 -4.005 -11.701 -5.080 543 HB3 ALA 552 3HB ALA 552 -3.216 -13.253 -5.363 544 H GLY 553 H GLY 553 -3.867 -13.578 -3.306 545 HA2 GLY 553 1HA GLY 553 -3.382 -16.304 -3.203 546 HA3 GLY 553 2HA GLY 553 -3.348 -15.237 -1.807 547 H VAL 554 H VAL 554 -5.845 -14.528 -1.331 548 HA VAL 554 HA VAL 554 -7.005 -16.737 -0.098 549 HB VAL 554 HB VAL 554 -8.381 -14.181 -0.936 550 HG11 VAL 554 1HG1 VAL 554 -9.902 -14.705 0.965 551 HG12 VAL 554 2HG1 VAL 554 -10.017 -15.845 -0.378 552 HG13 VAL 554 3HG1 VAL 554 -9.134 -16.289 1.083 553 HG21 VAL 554 3HG2 VAL 554 -6.919 -13.255 0.490 554 HG22 VAL 554 1HG2 VAL 554 -7.902 -14.005 1.749 555 HG23 VAL 554 2HG2 VAL 554 -6.446 -14.814 1.166 556 H GLY 555 H GLY 555 -7.639 -15.300 -3.258 557 HA2 GLY 555 1HA GLY 555 -9.956 -16.801 -3.868 558 HA3 GLY 555 2HA GLY 555 -8.905 -16.015 -5.036 559 H PHE 556 H PHE 556 -6.578 -17.593 -3.972 560 HA PHE 556 HA PHE 556 -7.042 -19.939 -5.631 561 HB2 PHE 556 1HB PHE 556 -5.016 -18.770 -6.121 562 HB3 PHE 556 2HB PHE 556 -4.549 -18.741 -4.424 563 HD1 PHE 556 1HD PHE 556 -3.632 -20.707 -3.351 564 HD2 PHE 556 2HD PHE 556 -4.734 -20.753 -7.462 565 HE1 PHE 556 1HE PHE 556 -2.363 -22.791 -3.664 566 HE2 PHE 556 2HE PHE 556 -3.466 -22.837 -7.781 567 HZ PHE 556 HZ PHE 556 -2.280 -23.860 -5.881 568 H PHE 557 H PHE 557 -6.532 -19.071 -2.299 569 HA PHE 557 HA PHE 557 -5.864 -21.646 -1.325 570 HB2 PHE 557 1HB PHE 557 -6.908 -19.135 -0.049 571 HB3 PHE 557 2HB PHE 557 -6.759 -20.619 0.885 572 HD1 PHE 557 2HD PHE 557 -4.308 -21.806 0.087 573 HD2 PHE 557 1HD PHE 557 -5.236 -17.675 0.510 574 HE1 PHE 557 2HE PHE 557 -1.930 -21.317 0.480 575 HE2 PHE 557 1HE PHE 557 -2.859 -17.178 0.903 576 HZ PHE 557 HZ PHE 557 -1.203 -19.001 0.890 577 H ILE 558 H ILE 558 -8.803 -20.249 -2.369 578 HA ILE 558 HA ILE 558 -10.461 -22.137 -0.893 579 HB ILE 558 HB ILE 558 -11.185 -19.764 -1.220 580 HG12 ILE 558 1HG1 ILE 558 -13.242 -21.400 -2.607 581 HG13 ILE 558 2HG1 ILE 558 -12.678 -21.990 -1.048 582 HG21 ILE 558 1HG2 ILE 558 -10.456 -20.198 -3.843 583 HG22 ILE 558 2HG2 ILE 558 -12.218 -20.204 -3.900 584 HG23 ILE 558 3HG2 ILE 558 -11.361 -18.814 -3.231 585 HD11 ILE 558 3HD1 ILE 558 -13.886 -20.490 0.042 586 HD12 ILE 558 1HD1 ILE 558 -13.274 -19.169 -0.953 587 HD13 ILE 558 2HD1 ILE 558 -14.658 -20.114 -1.498 588 H HIS 559 H HIS 559 -8.965 -21.805 -3.965 589 HA HIS 559 HA HIS 559 -10.747 -23.640 -5.320 590 HB2 HIS 559 1HB HIS 559 -8.225 -22.199 -6.109 591 HB3 HIS 559 2HB HIS 559 -8.918 -23.456 -7.131 592 HD1 HIS 559 1HD HIS 559 -8.807 -20.820 -8.428 593 HD2 HIS 559 2HD HIS 559 -11.978 -21.886 -5.963 594 HE1 HIS 559 1HE HIS 559 -10.714 -19.324 -9.099 595 H ARG 560 H ARG 560 -7.821 -23.772 -3.493 596 HA ARG 560 HA ARG 560 -6.746 -26.176 -4.497 597 HB2 ARG 560 1HB ARG 560 -6.475 -24.710 -1.889 598 HB3 ARG 560 2HB ARG 560 -5.712 -26.278 -2.123 599 HG2 ARG 560 1HG ARG 560 -5.027 -24.761 -4.373 600 HG3 ARG 560 2HG ARG 560 -4.849 -23.683 -2.987 601 HD2 ARG 560 1HD ARG 560 -2.842 -24.636 -2.727 602 HD3 ARG 560 2HD ARG 560 -3.733 -26.007 -2.068 603 HE ARG 560 HE ARG 560 -3.527 -26.161 -4.901 604 HH11 ARG 560 1HH1 ARG 560 -1.749 -26.663 -1.951 605 HH12 ARG 560 2HH1 ARG 560 -0.696 -27.857 -2.636 606 HH21 ARG 560 1HH2 ARG 560 -2.147 -27.732 -5.815 607 HH22 ARG 560 2HH2 ARG 560 -0.922 -28.462 -4.834 608 H ARG 561 H ARG 561 -9.390 -25.513 -2.370 609 HA ARG 561 HA ARG 561 -9.784 -28.407 -2.012 610 HB2 ARG 561 1HB ARG 561 -10.218 -26.241 0.051 611 HB3 ARG 561 2HB ARG 561 -10.769 -27.902 0.228 612 HG2 ARG 561 1HG ARG 561 -7.978 -27.856 -0.440 613 HG3 ARG 561 2HG ARG 561 -8.294 -26.834 0.964 614 HD2 ARG 561 1HD ARG 561 -9.655 -28.810 1.859 615 HD3 ARG 561 2HD ARG 561 -8.859 -29.762 0.606 616 HE ARG 561 HE ARG 561 -6.910 -29.680 1.817 617 HH11 ARG 561 1HH1 ARG 561 -9.192 -27.398 3.123 618 HH12 ARG 561 2HH1 ARG 561 -8.246 -27.062 4.534 619 HH21 ARG 561 1HH2 ARG 561 -5.655 -29.245 3.672 620 HH22 ARG 561 2HH2 ARG 561 -6.234 -28.112 4.846 621 H ARG 562 H ARG 562 -10.938 -27.303 -4.121 622 HA ARG 562 HA ARG 562 -13.329 -25.946 -3.893 623 HB2 ARG 562 1HB ARG 562 -13.984 -27.164 -6.012 624 HB3 ARG 562 2HB ARG 562 -12.442 -26.318 -6.063 625 HG2 ARG 562 1HG ARG 562 -12.008 -28.996 -5.176 626 HG3 ARG 562 2HG ARG 562 -12.968 -29.016 -6.656 627 HD2 ARG 562 1HD ARG 562 -11.195 -27.257 -7.456 628 HD3 ARG 562 2HD ARG 562 -10.207 -27.987 -6.191 629 HE ARG 562 HE ARG 562 -11.222 -30.076 -7.688 630 HH11 ARG 562 1HH1 ARG 562 -9.185 -27.303 -8.220 631 HH12 ARG 562 2HH1 ARG 562 -8.276 -28.049 -9.491 632 HH21 ARG 562 1HH2 ARG 562 -10.032 -31.070 -9.360 633 HH22 ARG 562 2HH2 ARG 562 -8.760 -30.193 -10.141 634 H LYS 563 H LYS 563 -12.624 -29.290 -3.201 635 HA LYS 563 HA LYS 563 -15.134 -30.441 -3.257 636 HB2 LYS 563 1HB LYS 563 -12.889 -30.927 -1.290 637 HB3 LYS 563 2HB LYS 563 -14.280 -31.982 -1.497 638 HG2 LYS 563 1HG LYS 563 -13.493 -31.993 -4.001 639 HG3 LYS 563 2HG LYS 563 -11.944 -31.546 -3.284 640 HD2 LYS 563 1HD LYS 563 -11.917 -33.896 -3.408 641 HD3 LYS 563 2HD LYS 563 -12.276 -33.527 -1.720 642 HE2 LYS 563 1HE LYS 563 -14.120 -34.752 -1.865 643 HE3 LYS 563 2HE LYS 563 -14.743 -33.647 -3.088 644 HZ1 LYS 563 3HZ LYS 563 -13.171 -36.121 -3.525 645 HZ2 LYS 563 1HZ LYS 563 -13.458 -34.985 -4.745 646 HZ3 LYS 563 2HZ LYS 563 -14.754 -35.799 -4.026 Start of MODEL 11 1 H1 GLU 523 H GLU 523 2.113 -5.155 -10.934 2 HA GLU 523 HA GLU 523 2.438 -2.287 -11.478 3 HB2 GLU 523 1HB GLU 523 -0.002 -3.236 -11.582 4 HB3 GLU 523 2HB GLU 523 0.129 -3.242 -9.829 5 HG2 GLU 523 1HG GLU 523 0.106 -0.979 -9.673 6 HG3 GLU 523 2HG GLU 523 0.889 -0.752 -11.237 7 H PHE 524 H PHE 524 4.315 -2.210 -10.259 8 HA PHE 524 HA PHE 524 3.902 -2.482 -7.360 9 HB2 PHE 524 1HB PHE 524 6.078 -3.460 -7.060 10 HB3 PHE 524 2HB PHE 524 5.218 -4.413 -8.263 11 HD1 PHE 524 2HD PHE 524 5.819 -4.222 -10.650 12 HD2 PHE 524 1HD PHE 524 8.069 -2.288 -7.599 13 HE1 PHE 524 2HE PHE 524 7.689 -3.928 -12.221 14 HE2 PHE 524 1HE PHE 524 9.942 -1.990 -9.164 15 HZ PHE 524 HZ PHE 524 9.755 -2.811 -11.478 16 H GLN 525 H GLN 525 4.805 -0.904 -6.106 17 HA GLN 525 HA GLN 525 6.429 1.141 -7.455 18 HB2 GLN 525 1HB GLN 525 4.097 1.667 -5.605 19 HB3 GLN 525 2HB GLN 525 5.182 2.895 -6.243 20 HG2 GLN 525 1HG GLN 525 4.102 1.317 -8.383 21 HG3 GLN 525 2HG GLN 525 2.806 1.953 -7.372 22 HE21 GLN 525 2HE2 GLN 525 4.517 2.565 -10.042 23 HE22 GLN 525 1HE2 GLN 525 4.458 4.292 -10.067 24 H THR 526 H THR 526 8.130 1.885 -6.316 25 HA THR 526 HA THR 526 8.249 1.575 -3.435 26 HB THR 526 HB THR 526 10.555 0.444 -3.677 27 HG1 THR 526 1HG THR 526 11.066 -0.311 -5.593 28 HG21 THR 526 3HG2 THR 526 9.597 -1.559 -3.142 29 HG22 THR 526 1HG2 THR 526 8.429 -1.478 -4.461 30 HG23 THR 526 2HG2 THR 526 8.173 -0.529 -2.995 31 H LEU 527 H LEU 527 10.280 2.515 -2.539 32 HA LEU 527 HA LEU 527 11.635 4.327 -2.291 33 HB2 LEU 527 1HB LEU 527 12.157 3.765 -5.205 34 HB3 LEU 527 2HB LEU 527 13.123 4.842 -4.198 35 HG LEU 527 HG LEU 527 12.838 2.086 -3.193 36 HD11 LEU 527 1HD1 LEU 527 14.001 2.707 -5.859 37 HD12 LEU 527 2HD1 LEU 527 13.146 1.268 -5.305 38 HD13 LEU 527 3HD1 LEU 527 14.822 1.535 -4.829 39 HD21 LEU 527 3HD2 LEU 527 14.268 4.008 -2.287 40 HD22 LEU 527 1HD2 LEU 527 15.337 3.684 -3.652 41 HD23 LEU 527 2HD2 LEU 527 15.031 2.425 -2.455 42 H SER 528 H SER 528 9.268 5.289 -2.261 43 HA SER 528 HA SER 528 9.223 7.507 -4.201 44 HB2 SER 528 1HB SER 528 6.860 6.179 -2.854 45 HB3 SER 528 2HB SER 528 6.772 7.554 -3.954 46 HG SER 528 HG SER 528 6.453 5.878 -5.273 47 HA PRO 529 HA PRO 529 9.449 10.347 -0.864 48 HB2 PRO 529 1HB PRO 529 7.949 12.402 -1.812 49 HB3 PRO 529 2HB PRO 529 9.554 12.012 -2.443 50 HG2 PRO 529 1HG PRO 529 6.861 11.312 -3.550 51 HG3 PRO 529 2HG PRO 529 8.306 11.888 -4.402 52 HD2 PRO 529 1HD PRO 529 7.587 9.278 -4.354 53 HD3 PRO 529 2HD PRO 529 9.283 9.800 -4.419 54 H GLU 530 H GLU 530 8.461 9.858 1.002 55 HA GLU 530 HA GLU 530 5.617 10.483 1.263 56 HB2 GLU 530 1HB GLU 530 5.456 8.360 2.736 57 HB3 GLU 530 2HB GLU 530 5.370 8.187 0.989 58 HG2 GLU 530 1HG GLU 530 7.665 7.480 0.894 59 HG3 GLU 530 2HG GLU 530 7.869 7.791 2.617 60 H GLY 531 H GLY 531 5.796 12.152 2.646 61 HA2 GLY 531 1HA GLY 531 6.118 11.878 5.339 62 HA3 GLY 531 2HA GLY 531 7.747 12.196 4.759 63 H SER 532 H SER 532 4.700 13.515 3.534 64 HA SER 532 HA SER 532 5.775 16.185 3.666 65 HB2 SER 532 1HB SER 532 3.138 15.058 2.725 66 HB3 SER 532 2HB SER 532 3.466 16.790 2.760 67 HG SER 532 HG SER 532 5.387 16.222 1.462 68 H GLY 533 H GLY 533 2.798 14.694 4.966 69 HA2 GLY 533 1HA GLY 533 3.175 16.148 7.463 70 HA3 GLY 533 2HA GLY 533 1.748 16.576 6.528 71 H ASN 534 H ASN 534 -0.035 15.591 7.174 72 HA ASN 534 HA ASN 534 0.128 13.210 8.815 73 HB2 ASN 534 1HB ASN 534 -2.084 15.091 8.042 74 HB3 ASN 534 2HB ASN 534 -2.449 13.541 8.797 75 HD21 ASN 534 2HD2 ASN 534 -0.841 16.618 9.210 76 HD22 ASN 534 1HD2 ASN 534 -0.785 16.574 10.936 77 H LEU 535 H LEU 535 -0.548 14.034 5.541 78 HA LEU 535 HA LEU 535 -2.067 11.701 4.892 79 HB2 LEU 535 1HB LEU 535 -0.584 13.694 3.189 80 HB3 LEU 535 2HB LEU 535 -1.546 12.370 2.532 81 HG LEU 535 HG LEU 535 -2.900 14.290 2.391 82 HD11 LEU 535 1HD1 LEU 535 -4.769 13.780 3.831 83 HD12 LEU 535 2HD1 LEU 535 -3.724 12.862 4.913 84 HD13 LEU 535 3HD1 LEU 535 -4.023 12.284 3.274 85 HD21 LEU 535 3HD2 LEU 535 -1.444 15.541 4.099 86 HD22 LEU 535 1HD2 LEU 535 -2.553 14.892 5.307 87 HD23 LEU 535 2HD2 LEU 535 -3.161 15.936 4.023 88 H ALA 536 H ALA 536 1.261 12.361 5.325 89 HA ALA 536 HA ALA 536 2.382 10.437 3.590 90 HB1 ALA 536 1HB ALA 536 3.533 12.361 4.847 91 HB2 ALA 536 2HB ALA 536 3.637 11.227 6.194 92 HB3 ALA 536 3HB ALA 536 4.413 10.843 4.657 93 H VAL 537 H VAL 537 1.097 10.252 6.851 94 HA VAL 537 HA VAL 537 2.105 7.797 7.665 95 HB VAL 537 HB VAL 537 -0.683 8.790 8.252 96 HG11 VAL 537 1HG1 VAL 537 -0.180 7.625 10.454 97 HG12 VAL 537 2HG1 VAL 537 -0.455 6.586 9.053 98 HG13 VAL 537 3HG1 VAL 537 1.186 6.880 9.625 99 HG21 VAL 537 3HG2 VAL 537 0.540 10.633 8.876 100 HG22 VAL 537 1HG2 VAL 537 0.609 9.676 10.356 101 HG23 VAL 537 2HG2 VAL 537 1.981 9.687 9.248 102 H ILE 538 H ILE 538 -0.255 8.519 5.258 103 HA ILE 538 HA ILE 538 -1.707 6.127 5.199 104 HB ILE 538 HB ILE 538 -0.985 7.843 2.822 105 HG12 ILE 538 1HG1 ILE 538 -3.417 8.054 4.605 106 HG13 ILE 538 2HG1 ILE 538 -2.002 9.091 4.754 107 HG21 ILE 538 1HG2 ILE 538 -1.928 5.916 1.947 108 HG22 ILE 538 2HG2 ILE 538 -3.027 5.713 3.310 109 HG23 ILE 538 3HG2 ILE 538 -3.323 6.981 2.121 110 HD11 ILE 538 3HD1 ILE 538 -3.303 10.420 3.464 111 HD12 ILE 538 1HD1 ILE 538 -2.505 9.502 2.188 112 HD13 ILE 538 2HD1 ILE 538 -4.134 9.062 2.703 113 H GLY 539 H GLY 539 1.018 7.072 3.088 114 HA2 GLY 539 1HA GLY 539 1.352 4.563 1.889 115 HA3 GLY 539 2HA GLY 539 2.589 5.807 1.995 116 H GLY 540 H GLY 540 2.893 5.938 4.774 117 HA2 GLY 540 1HA GLY 540 4.804 4.007 5.268 118 HA3 GLY 540 2HA GLY 540 3.967 4.907 6.524 119 H VAL 541 H VAL 541 1.430 3.999 6.413 120 HA VAL 541 HA VAL 541 1.686 1.389 7.577 121 HB VAL 541 HB VAL 541 -0.798 3.011 6.997 122 HG11 VAL 541 1HG1 VAL 541 -0.340 0.395 8.345 123 HG12 VAL 541 2HG1 VAL 541 -1.596 1.465 8.968 124 HG13 VAL 541 3HG1 VAL 541 -1.660 0.907 7.296 125 HG21 VAL 541 3HG2 VAL 541 -0.379 4.197 8.835 126 HG22 VAL 541 1HG2 VAL 541 -0.042 2.743 9.773 127 HG23 VAL 541 2HG2 VAL 541 1.240 3.501 8.829 128 H ALA 542 H ALA 542 -0.159 2.668 4.804 129 HA ALA 542 HA ALA 542 -1.234 0.327 3.846 130 HB1 ALA 542 1HB ALA 542 -0.157 2.271 1.866 131 HB2 ALA 542 2HB ALA 542 -1.727 1.466 1.924 132 HB3 ALA 542 3HB ALA 542 -1.387 2.816 3.007 133 H VAL 543 H VAL 543 1.792 1.789 2.635 134 HA VAL 543 HA VAL 543 2.600 -0.347 1.052 135 HB VAL 543 HB VAL 543 4.323 1.648 2.525 136 HG11 VAL 543 1HG1 VAL 543 5.040 -0.668 0.992 137 HG12 VAL 543 2HG1 VAL 543 5.587 0.794 0.171 138 HG13 VAL 543 3HG1 VAL 543 6.081 0.479 1.834 139 HG21 VAL 543 3HG2 VAL 543 3.920 3.121 0.881 140 HG22 VAL 543 1HG2 VAL 543 3.968 1.882 -0.373 141 HG23 VAL 543 2HG2 VAL 543 2.493 2.134 0.564 142 H GLY 544 H GLY 544 3.477 0.371 4.429 143 HA2 GLY 544 1HA GLY 544 5.211 -1.729 4.904 144 HA3 GLY 544 2HA GLY 544 4.167 -1.015 6.126 145 H VAL 545 H VAL 545 1.681 -1.753 4.929 146 HA VAL 545 HA VAL 545 1.390 -4.353 6.013 147 HB VAL 545 HB VAL 545 -0.504 -2.797 4.248 148 HG11 VAL 545 1HG1 VAL 545 -1.215 -5.032 4.141 149 HG12 VAL 545 2HG1 VAL 545 -0.844 -5.320 5.842 150 HG13 VAL 545 3HG1 VAL 545 -2.212 -4.299 5.397 151 HG21 VAL 545 3HG2 VAL 545 -0.998 -1.559 6.026 152 HG22 VAL 545 1HG2 VAL 545 -1.280 -3.001 7.001 153 HG23 VAL 545 2HG2 VAL 545 0.342 -2.320 6.883 154 H VAL 546 H VAL 546 1.646 -3.127 2.713 155 HA VAL 546 HA VAL 546 1.002 -5.466 1.327 156 HB VAL 546 HB VAL 546 3.058 -3.444 0.439 157 HG11 VAL 546 1HG1 VAL 546 1.262 -5.368 -1.020 158 HG12 VAL 546 2HG1 VAL 546 2.113 -4.045 -1.816 159 HG13 VAL 546 3HG1 VAL 546 3.024 -5.323 -1.011 160 HG21 VAL 546 3HG2 VAL 546 0.267 -3.070 1.012 161 HG22 VAL 546 1HG2 VAL 546 1.469 -1.892 0.483 162 HG23 VAL 546 2HG2 VAL 546 0.575 -2.836 -0.708 163 H LEU 547 H LEU 547 4.214 -4.246 2.280 164 HA LEU 547 HA LEU 547 5.728 -6.368 1.312 165 HB2 LEU 547 1HB LEU 547 6.156 -4.502 3.629 166 HB3 LEU 547 2HB LEU 547 7.355 -5.700 3.147 167 HG LEU 547 HG LEU 547 6.353 -3.729 1.138 168 HD11 LEU 547 1HD1 LEU 547 7.684 -3.031 3.579 169 HD12 LEU 547 2HD1 LEU 547 7.133 -1.989 2.269 170 HD13 LEU 547 3HD1 LEU 547 8.740 -2.714 2.202 171 HD21 LEU 547 3HD2 LEU 547 8.781 -3.993 0.425 172 HD22 LEU 547 1HD2 LEU 547 7.730 -5.394 0.217 173 HD23 LEU 547 2HD2 LEU 547 8.857 -5.331 1.572 174 H LEU 548 H LEU 548 4.182 -5.953 4.474 175 HA LEU 548 HA LEU 548 5.174 -8.291 5.670 176 HB2 LEU 548 1HB LEU 548 3.923 -6.299 6.711 177 HB3 LEU 548 2HB LEU 548 2.457 -7.161 6.249 178 HG LEU 548 HG LEU 548 3.109 -7.480 8.621 179 HD11 LEU 548 1HD1 LEU 548 3.437 -10.189 7.576 180 HD12 LEU 548 2HD1 LEU 548 2.102 -9.296 6.846 181 HD13 LEU 548 3HD1 LEU 548 2.169 -9.507 8.596 182 HD21 LEU 548 3HD2 LEU 548 5.635 -7.582 7.832 183 HD22 LEU 548 1HD2 LEU 548 5.292 -9.310 7.789 184 HD23 LEU 548 2HD2 LEU 548 5.080 -8.407 9.289 185 H LEU 549 H LEU 549 2.366 -7.710 3.627 186 HA LEU 549 HA LEU 549 1.093 -10.188 3.976 187 HB2 LEU 549 1HB LEU 549 0.266 -8.040 2.819 188 HB3 LEU 549 2HB LEU 549 1.073 -8.675 1.387 189 HG LEU 549 HG LEU 549 -1.107 -10.127 2.882 190 HD11 LEU 549 1HD1 LEU 549 -1.624 -7.859 1.665 191 HD12 LEU 549 2HD1 LEU 549 -2.691 -9.250 1.483 192 HD13 LEU 549 3HD1 LEU 549 -1.524 -8.865 0.219 193 HD21 LEU 549 3HD2 LEU 549 -1.153 -11.185 0.460 194 HD22 LEU 549 1HD2 LEU 549 -0.060 -11.783 1.711 195 HD23 LEU 549 2HD2 LEU 549 0.538 -10.681 0.469 196 H VAL 550 H VAL 550 3.631 -9.144 1.757 197 HA VAL 550 HA VAL 550 3.702 -11.448 0.146 198 HB VAL 550 HB VAL 550 5.966 -9.566 0.826 199 HG11 VAL 550 1HG1 VAL 550 6.774 -11.668 -0.101 200 HG12 VAL 550 2HG1 VAL 550 5.659 -11.513 -1.458 201 HG13 VAL 550 3HG1 VAL 550 6.975 -10.358 -1.262 202 HG21 VAL 550 3HG2 VAL 550 4.743 -8.075 -0.301 203 HG22 VAL 550 1HG2 VAL 550 5.104 -9.030 -1.740 204 HG23 VAL 550 2HG2 VAL 550 3.604 -9.303 -0.853 205 H LEU 551 H LEU 551 5.941 -10.527 2.770 206 HA LEU 551 HA LEU 551 7.332 -12.918 2.920 207 HB2 LEU 551 1HB LEU 551 6.725 -10.776 4.919 208 HB3 LEU 551 2HB LEU 551 7.605 -12.224 5.407 209 HG LEU 551 HG LEU 551 9.149 -10.421 4.952 210 HD11 LEU 551 1HD1 LEU 551 9.243 -12.969 3.814 211 HD12 LEU 551 2HD1 LEU 551 10.599 -11.884 4.128 212 HD13 LEU 551 3HD1 LEU 551 9.804 -11.868 2.554 213 HD21 LEU 551 3HD2 LEU 551 7.740 -9.143 3.406 214 HD22 LEU 551 1HD2 LEU 551 7.981 -10.381 2.171 215 HD23 LEU 551 2HD2 LEU 551 9.351 -9.425 2.743 216 H ALA 552 H ALA 552 4.165 -12.117 4.096 217 HA ALA 552 HA ALA 552 3.909 -14.268 5.945 218 HB1 ALA 552 1HB ALA 552 2.489 -12.334 6.152 219 HB2 ALA 552 2HB ALA 552 1.816 -12.610 4.544 220 HB3 ALA 552 3HB ALA 552 1.489 -13.753 5.846 221 H GLY 553 H GLY 553 1.954 -13.844 3.002 222 HA2 GLY 553 1HA GLY 553 1.247 -16.516 2.728 223 HA3 GLY 553 2HA GLY 553 1.261 -15.349 1.415 224 H VAL 554 H VAL 554 3.822 -14.789 0.967 225 HA VAL 554 HA VAL 554 4.776 -16.973 -0.479 226 HB VAL 554 HB VAL 554 6.399 -14.635 0.537 227 HG11 VAL 554 1HG1 VAL 554 7.790 -15.087 -1.462 228 HG12 VAL 554 2HG1 VAL 554 7.819 -16.402 -0.285 229 HG13 VAL 554 3HG1 VAL 554 6.847 -16.549 -1.751 230 HG21 VAL 554 3HG2 VAL 554 4.233 -14.757 -1.344 231 HG22 VAL 554 1HG2 VAL 554 5.151 -13.357 -0.785 232 HG23 VAL 554 2HG2 VAL 554 5.724 -14.292 -2.166 233 H GLY 555 H GLY 555 5.692 -15.785 2.733 234 HA2 GLY 555 1HA GLY 555 7.839 -17.560 3.160 235 HA3 GLY 555 2HA GLY 555 6.921 -16.744 4.417 236 H PHE 556 H PHE 556 4.415 -18.030 3.308 237 HA PHE 556 HA PHE 556 4.696 -20.508 4.823 238 HB2 PHE 556 1HB PHE 556 2.832 -19.157 5.488 239 HB3 PHE 556 2HB PHE 556 2.285 -18.989 3.823 240 HD1 PHE 556 2HD PHE 556 2.486 -21.228 6.713 241 HD2 PHE 556 1HD PHE 556 1.048 -20.738 2.737 242 HE1 PHE 556 2HE PHE 556 1.031 -23.191 7.002 243 HE2 PHE 556 1HE PHE 556 -0.410 -22.699 3.019 244 HZ PHE 556 HZ PHE 556 -0.420 -23.929 5.153 245 H PHE 557 H PHE 557 4.105 -19.362 1.586 246 HA PHE 557 HA PHE 557 3.175 -21.833 0.516 247 HB2 PHE 557 1HB PHE 557 4.205 -19.278 -0.679 248 HB3 PHE 557 2HB PHE 557 3.920 -20.686 -1.698 249 HD1 PHE 557 2HD PHE 557 1.503 -21.849 -0.746 250 HD2 PHE 557 1HD PHE 557 2.549 -17.732 -1.011 251 HE1 PHE 557 2HE PHE 557 -0.880 -21.257 -0.895 252 HE2 PHE 557 1HE PHE 557 0.168 -17.132 -1.160 253 HZ PHE 557 HZ PHE 557 -1.550 -18.897 -1.103 254 H ILE 558 H ILE 558 6.185 -20.846 1.598 255 HA ILE 558 HA ILE 558 7.676 -22.545 -0.257 256 HB ILE 558 HB ILE 558 8.577 -20.306 0.351 257 HG12 ILE 558 1HG1 ILE 558 10.541 -22.235 1.474 258 HG13 ILE 558 2HG1 ILE 558 9.920 -22.572 -0.138 259 HG21 ILE 558 1HG2 ILE 558 7.869 -21.021 2.922 260 HG22 ILE 558 2HG2 ILE 558 9.627 -21.132 2.930 261 HG23 ILE 558 3HG2 ILE 558 8.842 -19.624 2.459 262 HD11 ILE 558 3HD1 ILE 558 10.636 -19.829 -0.010 263 HD12 ILE 558 1HD1 ILE 558 11.972 -20.793 0.622 264 HD13 ILE 558 2HD1 ILE 558 11.338 -21.114 -0.993 265 H HIS 559 H HIS 559 6.371 -22.556 2.931 266 HA HIS 559 HA HIS 559 8.067 -24.698 3.884 267 HB2 HIS 559 1HB HIS 559 5.752 -23.169 5.037 268 HB3 HIS 559 2HB HIS 559 6.322 -24.645 5.808 269 HD1 HIS 559 1HD HIS 559 6.676 -22.537 7.670 270 HD2 HIS 559 2HD HIS 559 9.412 -22.992 4.577 271 HE1 HIS 559 1HE HIS 559 8.749 -21.328 8.424 272 H ARG 560 H ARG 560 5.055 -24.351 2.245 273 HA ARG 560 HA ARG 560 3.883 -26.828 2.977 274 HB2 ARG 560 1HB ARG 560 3.464 -25.100 0.531 275 HB3 ARG 560 2HB ARG 560 2.458 -26.473 0.967 276 HG2 ARG 560 1HG ARG 560 2.668 -24.694 3.198 277 HG3 ARG 560 2HG ARG 560 2.168 -23.800 1.761 278 HD2 ARG 560 1HD ARG 560 0.111 -24.504 2.339 279 HD3 ARG 560 2HD ARG 560 0.609 -25.998 1.547 280 HE ARG 560 HE ARG 560 1.438 -26.243 4.154 281 HH11 ARG 560 1HH1 ARG 560 -1.591 -25.724 2.520 282 HH12 ARG 560 2HH1 ARG 560 -2.532 -26.524 3.735 283 HH21 ARG 560 1HH2 ARG 560 0.210 -27.299 5.760 284 HH22 ARG 560 2HH2 ARG 560 -1.508 -27.420 5.577 285 H ARG 561 H ARG 561 5.815 -25.816 0.169 286 HA ARG 561 HA ARG 561 5.883 -28.510 -0.880 287 HB2 ARG 561 1HB ARG 561 7.337 -26.015 -1.777 288 HB3 ARG 561 2HB ARG 561 7.290 -27.539 -2.653 289 HG2 ARG 561 1HG ARG 561 5.514 -26.766 -3.723 290 HG3 ARG 561 2HG ARG 561 4.622 -26.902 -2.205 291 HD2 ARG 561 1HD ARG 561 4.694 -24.672 -1.809 292 HD3 ARG 561 2HD ARG 561 6.290 -24.486 -2.537 293 HE ARG 561 HE ARG 561 4.197 -25.048 -4.430 294 HH11 ARG 561 1HH1 ARG 561 5.892 -22.567 -2.674 295 HH12 ARG 561 2HH1 ARG 561 5.506 -21.317 -3.811 296 HH21 ARG 561 1HH2 ARG 561 3.683 -23.411 -5.934 297 HH22 ARG 561 2HH2 ARG 561 4.250 -21.798 -5.664 298 H ARG 562 H ARG 562 7.937 -26.385 0.980 299 HA ARG 562 HA ARG 562 9.921 -26.697 2.048 300 HB2 ARG 562 1HB ARG 562 9.157 -29.606 1.731 301 HB3 ARG 562 2HB ARG 562 10.464 -29.019 2.751 302 HG2 ARG 562 1HG ARG 562 8.584 -27.564 3.828 303 HG3 ARG 562 2HG ARG 562 7.519 -28.779 3.120 304 HD2 ARG 562 1HD ARG 562 9.710 -30.089 4.400 305 HD3 ARG 562 2HD ARG 562 8.998 -28.929 5.523 306 HE ARG 562 HE ARG 562 6.855 -30.244 4.485 307 HH11 ARG 562 1HH1 ARG 562 9.790 -31.237 6.071 308 HH12 ARG 562 2HH1 ARG 562 9.086 -32.655 6.774 309 HH21 ARG 562 1HH2 ARG 562 5.915 -32.108 5.408 310 HH22 ARG 562 2HH2 ARG 562 6.882 -33.149 6.397 311 H LYS 563 H LYS 563 10.608 -25.888 -0.219 312 HA LYS 563 HA LYS 563 12.174 -25.878 -1.869 313 HB2 LYS 563 1HB LYS 563 13.383 -28.115 -0.234 314 HB3 LYS 563 2HB LYS 563 14.204 -27.235 -1.517 315 HG2 LYS 563 1HG LYS 563 14.857 -25.703 -0.065 316 HG3 LYS 563 2HG LYS 563 13.176 -25.344 0.337 317 HD2 LYS 563 1HD LYS 563 13.207 -26.640 2.211 318 HD3 LYS 563 2HD LYS 563 14.371 -27.782 1.534 319 HE2 LYS 563 1HE LYS 563 16.142 -26.629 2.311 320 HE3 LYS 563 2HE LYS 563 15.402 -25.065 1.973 321 HZ1 LYS 563 3HZ LYS 563 14.704 -24.888 4.064 322 HZ2 LYS 563 1HZ LYS 563 15.725 -26.186 4.432 323 HZ3 LYS 563 2HZ LYS 563 14.091 -26.465 4.097 324 H1 GLU 523 H GLU 523 1.770 47.456 -5.478 325 HA GLU 523 HA GLU 523 0.691 46.873 -7.744 326 HB2 GLU 523 1HB GLU 523 3.082 45.639 -6.496 327 HB3 GLU 523 2HB GLU 523 2.496 44.894 -7.976 328 HG2 GLU 523 1HG GLU 523 2.918 47.845 -7.856 329 HG3 GLU 523 2HG GLU 523 4.286 46.760 -8.089 330 H PHE 524 H PHE 524 1.179 44.209 -5.425 331 HA PHE 524 HA PHE 524 -1.112 42.840 -6.671 332 HB2 PHE 524 1HB PHE 524 0.061 40.687 -6.012 333 HB3 PHE 524 2HB PHE 524 0.793 41.584 -7.339 334 HD1 PHE 524 1HD PHE 524 2.914 42.729 -7.045 335 HD2 PHE 524 2HD PHE 524 1.165 40.475 -3.886 336 HE1 PHE 524 1HE PHE 524 5.063 42.745 -5.849 337 HE2 PHE 524 2HE PHE 524 3.311 40.489 -2.683 338 HZ PHE 524 HZ PHE 524 5.263 41.625 -3.663 339 H GLN 525 H GLN 525 -2.590 41.906 -5.321 340 HA GLN 525 HA GLN 525 -2.074 42.057 -2.432 341 HB2 GLN 525 1HB GLN 525 -4.655 42.873 -3.776 342 HB3 GLN 525 2HB GLN 525 -4.331 42.893 -2.047 343 HG2 GLN 525 1HG GLN 525 -2.407 44.423 -3.622 344 HG3 GLN 525 2HG GLN 525 -4.064 45.013 -3.741 345 HE21 GLN 525 2HE2 GLN 525 -5.089 45.806 -1.907 346 HE22 GLN 525 1HE2 GLN 525 -4.217 46.235 -0.478 347 H THR 526 H THR 526 -4.338 41.037 -1.422 348 HA THR 526 HA THR 526 -5.280 39.027 -0.893 349 HB THR 526 HB THR 526 -6.608 38.010 -2.548 350 HG1 THR 526 1HG THR 526 -6.121 38.188 -4.774 351 HG21 THR 526 3HG2 THR 526 -6.287 40.762 -3.712 352 HG22 THR 526 1HG2 THR 526 -6.985 40.513 -2.111 353 HG23 THR 526 2HG2 THR 526 -7.758 39.805 -3.530 354 H LEU 527 H LEU 527 -5.316 36.546 -1.961 355 HA LEU 527 HA LEU 527 -2.515 35.812 -2.441 356 HB2 LEU 527 1HB LEU 527 -2.871 33.862 -0.888 357 HB3 LEU 527 2HB LEU 527 -2.723 35.446 -0.128 358 HG LEU 527 HG LEU 527 -5.460 34.437 -0.691 359 HD11 LEU 527 1HD1 LEU 527 -4.528 33.569 1.905 360 HD12 LEU 527 2HD1 LEU 527 -3.650 32.774 0.600 361 HD13 LEU 527 3HD1 LEU 527 -5.410 32.676 0.665 362 HD21 LEU 527 3HD2 LEU 527 -4.675 35.576 1.910 363 HD22 LEU 527 1HD2 LEU 527 -6.062 35.934 0.881 364 HD23 LEU 527 2HD2 LEU 527 -4.490 36.645 0.518 365 H SER 528 H SER 528 -2.204 34.078 -3.773 366 HA SER 528 HA SER 528 -4.633 32.946 -4.991 367 HB2 SER 528 1HB SER 528 -3.125 32.445 -6.947 368 HB3 SER 528 2HB SER 528 -3.350 34.163 -6.618 369 HG SER 528 HG SER 528 -1.190 33.886 -6.885 370 HA PRO 529 HA PRO 529 -3.618 28.895 -3.646 371 HB2 PRO 529 1HB PRO 529 -4.483 27.400 -5.742 372 HB3 PRO 529 2HB PRO 529 -5.584 28.206 -4.618 373 HG2 PRO 529 1HG PRO 529 -4.693 29.068 -7.342 374 HG3 PRO 529 2HG PRO 529 -6.314 29.120 -6.626 375 HD2 PRO 529 1HD PRO 529 -4.717 31.302 -6.775 376 HD3 PRO 529 2HD PRO 529 -5.870 31.052 -5.449 377 H GLU 530 H GLU 530 -1.638 28.063 -3.503 378 HA GLU 530 HA GLU 530 -0.191 27.411 -5.969 379 HB2 GLU 530 1HB GLU 530 0.940 28.902 -3.599 380 HB3 GLU 530 2HB GLU 530 1.927 28.181 -4.861 381 HG2 GLU 530 1HG GLU 530 -0.197 29.967 -5.815 382 HG3 GLU 530 2HG GLU 530 1.064 30.741 -4.857 383 H GLY 531 H GLY 531 -0.365 25.233 -5.813 384 HA2 GLY 531 1HA GLY 531 0.400 23.150 -5.141 385 HA3 GLY 531 2HA GLY 531 1.225 23.922 -3.796 386 H SER 532 H SER 532 -0.270 21.480 -3.706 387 HA SER 532 HA SER 532 -2.178 22.231 -1.623 388 HB2 SER 532 1HB SER 532 -2.851 20.360 -3.906 389 HB3 SER 532 2HB SER 532 -3.864 20.644 -2.491 390 HG SER 532 HG SER 532 -3.658 22.968 -3.216 391 H GLY 533 H GLY 533 -0.524 19.580 -3.309 392 HA2 GLY 533 1HA GLY 533 0.975 18.155 -2.038 393 HA3 GLY 533 2HA GLY 533 -0.133 18.299 -0.680 394 H ASN 534 H ASN 534 0.516 16.712 -3.705 395 HA ASN 534 HA ASN 534 -1.932 15.184 -3.680 396 HB2 ASN 534 1HB ASN 534 0.564 14.845 -5.359 397 HB3 ASN 534 2HB ASN 534 -0.978 14.035 -5.632 398 HD21 ASN 534 2HD2 ASN 534 0.620 17.162 -5.555 399 HD22 ASN 534 1HD2 ASN 534 -0.474 17.955 -6.633 400 H LEU 535 H LEU 535 -1.217 14.611 -1.322 401 HA LEU 535 HA LEU 535 0.596 12.330 -1.239 402 HB2 LEU 535 1HB LEU 535 -0.892 13.791 0.936 403 HB3 LEU 535 2HB LEU 535 0.188 12.425 1.210 404 HG LEU 535 HG LEU 535 1.452 14.318 1.752 405 HD11 LEU 535 1HD1 LEU 535 2.136 13.672 -1.110 406 HD12 LEU 535 2HD1 LEU 535 2.627 12.730 0.296 407 HD13 LEU 535 3HD1 LEU 535 3.216 14.379 0.092 408 HD21 LEU 535 3HD2 LEU 535 -0.283 15.751 0.286 409 HD22 LEU 535 1HD2 LEU 535 1.103 15.751 -0.804 410 HD23 LEU 535 2HD2 LEU 535 1.271 16.376 0.837 411 H ALA 536 H ALA 536 -2.758 13.011 -1.402 412 HA ALA 536 HA ALA 536 -3.820 10.736 -0.137 413 HB1 ALA 536 1HB ALA 536 -5.029 12.847 -0.935 414 HB2 ALA 536 2HB ALA 536 -5.102 12.052 -2.508 415 HB3 ALA 536 3HB ALA 536 -5.867 11.304 -1.107 416 H VAL 537 H VAL 537 -2.572 11.265 -3.378 417 HA VAL 537 HA VAL 537 -3.542 9.019 -4.683 418 HB VAL 537 HB VAL 537 -0.770 10.157 -5.051 419 HG11 VAL 537 1HG1 VAL 537 -0.968 8.165 -6.294 420 HG12 VAL 537 2HG1 VAL 537 -2.615 8.547 -6.797 421 HG13 VAL 537 3HG1 VAL 537 -1.258 9.467 -7.447 422 HG21 VAL 537 3HG2 VAL 537 -3.399 11.322 -5.560 423 HG22 VAL 537 1HG2 VAL 537 -1.810 12.087 -5.500 424 HG23 VAL 537 2HG2 VAL 537 -2.353 11.297 -6.981 425 H ILE 538 H ILE 538 -1.140 9.263 -2.209 426 HA ILE 538 HA ILE 538 0.323 6.922 -2.654 427 HB ILE 538 HB ILE 538 -0.380 8.119 0.027 428 HG12 ILE 538 1HG1 ILE 538 2.045 8.678 -1.688 429 HG13 ILE 538 2HG1 ILE 538 0.628 9.723 -1.636 430 HG21 ILE 538 1HG2 ILE 538 1.646 6.121 -0.891 431 HG22 ILE 538 2HG2 ILE 538 1.969 7.136 0.515 432 HG23 ILE 538 3HG2 ILE 538 0.570 6.063 0.505 433 HD11 ILE 538 3HD1 ILE 538 1.918 10.782 -0.109 434 HD12 ILE 538 1HD1 ILE 538 1.128 9.626 0.963 435 HD13 ILE 538 2HD1 ILE 538 2.759 9.309 0.371 436 H GLY 539 H GLY 539 -2.399 7.392 -0.385 437 HA2 GLY 539 1HA GLY 539 -2.694 4.690 0.295 438 HA3 GLY 539 2HA GLY 539 -3.947 5.914 0.440 439 H GLY 540 H GLY 540 -4.260 6.588 -2.261 440 HA2 GLY 540 1HA GLY 540 -6.151 4.769 -3.123 441 HA3 GLY 540 2HA GLY 540 -5.328 5.909 -4.179 442 H VAL 541 H VAL 541 -2.785 5.032 -4.263 443 HA VAL 541 HA VAL 541 -3.014 2.695 -5.911 444 HB VAL 541 HB VAL 541 -0.539 4.190 -5.033 445 HG11 VAL 541 1HG1 VAL 541 0.124 2.029 -5.748 446 HG12 VAL 541 2HG1 VAL 541 -0.986 2.066 -7.119 447 HG13 VAL 541 3HG1 VAL 541 0.429 3.117 -7.102 448 HG21 VAL 541 3HG2 VAL 541 -1.118 4.617 -7.758 449 HG22 VAL 541 1HG2 VAL 541 -2.620 4.879 -6.870 450 HG23 VAL 541 2HG2 VAL 541 -1.172 5.788 -6.440 451 H ALA 542 H ALA 542 -1.176 3.435 -2.945 452 HA ALA 542 HA ALA 542 -0.060 0.969 -2.468 453 HB1 ALA 542 1HB ALA 542 0.070 3.238 -1.158 454 HB2 ALA 542 2HB ALA 542 -1.163 2.480 -0.150 455 HB3 ALA 542 3HB ALA 542 0.411 1.708 -0.350 456 H VAL 543 H VAL 543 -3.104 2.112 -0.991 457 HA VAL 543 HA VAL 543 -3.872 -0.303 0.145 458 HB VAL 543 HB VAL 543 -5.635 1.907 -0.919 459 HG11 VAL 543 1HG1 VAL 543 -7.370 0.595 -0.471 460 HG12 VAL 543 2HG1 VAL 543 -6.307 -0.676 0.137 461 HG13 VAL 543 3HG1 VAL 543 -6.879 0.591 1.222 462 HG21 VAL 543 3HG2 VAL 543 -4.140 2.738 0.758 463 HG22 VAL 543 1HG2 VAL 543 -5.734 2.555 1.488 464 HG23 VAL 543 2HG2 VAL 543 -4.475 1.363 1.810 465 H GLY 544 H GLY 544 -4.773 1.039 -3.030 466 HA2 GLY 544 1HA GLY 544 -6.467 -0.964 -3.905 467 HA3 GLY 544 2HA GLY 544 -5.441 -0.006 -4.963 468 H VAL 545 H VAL 545 -2.948 -0.941 -3.848 469 HA VAL 545 HA VAL 545 -2.598 -3.262 -5.446 470 HB VAL 545 HB VAL 545 -0.744 -2.048 -3.392 471 HG11 VAL 545 1HG1 VAL 545 0.873 -3.304 -5.144 472 HG12 VAL 545 2HG1 VAL 545 0.299 -4.034 -3.643 473 HG13 VAL 545 3HG1 VAL 545 -0.515 -4.391 -5.166 474 HG21 VAL 545 3HG2 VAL 545 -1.560 -1.149 -5.959 475 HG22 VAL 545 1HG2 VAL 545 -0.350 -0.451 -4.882 476 HG23 VAL 545 2HG2 VAL 545 0.123 -1.667 -6.069 477 H VAL 546 H VAL 546 -2.833 -2.715 -1.959 478 HA VAL 546 HA VAL 546 -2.168 -5.257 -1.050 479 HB VAL 546 HB VAL 546 -4.290 -3.494 0.173 480 HG11 VAL 546 1HG1 VAL 546 -3.361 -4.509 2.288 481 HG12 VAL 546 2HG1 VAL 546 -4.255 -5.611 1.238 482 HG13 VAL 546 3HG1 VAL 546 -2.491 -5.647 1.261 483 HG21 VAL 546 3HG2 VAL 546 -1.511 -2.951 -0.268 484 HG22 VAL 546 1HG2 VAL 546 -2.737 -1.941 0.498 485 HG23 VAL 546 2HG2 VAL 546 -1.822 -3.100 1.462 486 H LEU 547 H LEU 547 -5.429 -3.972 -1.719 487 HA LEU 547 HA LEU 547 -6.860 -6.301 -1.238 488 HB2 LEU 547 1HB LEU 547 -7.379 -4.026 -3.137 489 HB3 LEU 547 2HB LEU 547 -8.537 -5.324 -2.856 490 HG LEU 547 HG LEU 547 -7.597 -3.965 -0.426 491 HD11 LEU 547 1HD1 LEU 547 -7.684 -2.072 -1.988 492 HD12 LEU 547 2HD1 LEU 547 -8.946 -1.979 -0.760 493 HD13 LEU 547 3HD1 LEU 547 -9.347 -2.500 -2.397 494 HD21 LEU 547 3HD2 LEU 547 -10.440 -4.234 -1.250 495 HD22 LEU 547 1HD2 LEU 547 -9.694 -4.454 0.332 496 HD23 LEU 547 2HD2 LEU 547 -9.527 -5.703 -0.901 497 H LEU 548 H LEU 548 -5.489 -5.130 -4.302 498 HA LEU 548 HA LEU 548 -6.366 -7.196 -5.948 499 HB2 LEU 548 1HB LEU 548 -5.167 -4.997 -6.531 500 HB3 LEU 548 2HB LEU 548 -3.678 -5.903 -6.267 501 HG LEU 548 HG LEU 548 -4.332 -5.715 -8.652 502 HD11 LEU 548 1HD1 LEU 548 -3.281 -7.851 -7.316 503 HD12 LEU 548 2HD1 LEU 548 -3.358 -7.686 -9.070 504 HD13 LEU 548 3HD1 LEU 548 -4.605 -8.594 -8.215 505 HD21 LEU 548 3HD2 LEU 548 -6.245 -6.735 -9.525 506 HD22 LEU 548 1HD2 LEU 548 -6.821 -5.898 -8.084 507 HD23 LEU 548 2HD2 LEU 548 -6.553 -7.640 -8.042 508 H LEU 549 H LEU 549 -3.553 -7.003 -3.836 509 HA LEU 549 HA LEU 549 -2.236 -9.321 -4.714 510 HB2 LEU 549 1HB LEU 549 -1.437 -7.453 -3.133 511 HB3 LEU 549 2HB LEU 549 -2.218 -8.392 -1.863 512 HG LEU 549 HG LEU 549 -0.031 -9.457 -3.644 513 HD11 LEU 549 1HD1 LEU 549 0.483 -7.480 -2.014 514 HD12 LEU 549 2HD1 LEU 549 1.557 -8.875 -2.093 515 HD13 LEU 549 3HD1 LEU 549 0.387 -8.739 -0.783 516 HD21 LEU 549 3HD2 LEU 549 -1.638 -10.530 -1.389 517 HD22 LEU 549 1HD2 LEU 549 0.064 -10.982 -1.482 518 HD23 LEU 549 2HD2 LEU 549 -1.018 -11.342 -2.827 519 H VAL 550 H VAL 550 -4.782 -8.829 -2.323 520 HA VAL 550 HA VAL 550 -4.789 -11.405 -1.208 521 HB VAL 550 HB VAL 550 -7.097 -9.483 -1.539 522 HG11 VAL 550 1HG1 VAL 550 -6.806 -11.878 0.272 523 HG12 VAL 550 2HG1 VAL 550 -8.142 -10.725 0.299 524 HG13 VAL 550 3HG1 VAL 550 -7.886 -11.746 -1.116 525 HG21 VAL 550 3HG2 VAL 550 -6.097 -8.260 0.022 526 HG22 VAL 550 1HG2 VAL 550 -6.183 -9.633 1.126 527 HG23 VAL 550 2HG2 VAL 550 -4.763 -9.412 0.105 528 H LEU 551 H LEU 551 -6.878 -10.049 -3.764 529 HA LEU 551 HA LEU 551 -8.332 -12.310 -4.376 530 HB2 LEU 551 1HB LEU 551 -7.409 -9.983 -6.013 531 HB3 LEU 551 2HB LEU 551 -8.297 -11.303 -6.771 532 HG LEU 551 HG LEU 551 -9.797 -9.483 -6.252 533 HD11 LEU 551 1HD1 LEU 551 -10.131 -12.138 -5.450 534 HD12 LEU 551 2HD1 LEU 551 -11.392 -10.947 -5.767 535 HD13 LEU 551 3HD1 LEU 551 -10.773 -11.161 -4.129 536 HD21 LEU 551 3HD2 LEU 551 -8.919 -9.838 -3.387 537 HD22 LEU 551 1HD2 LEU 551 -10.190 -8.756 -3.960 538 HD23 LEU 551 2HD2 LEU 551 -8.513 -8.474 -4.431 539 H ALA 552 H ALA 552 -5.132 -11.368 -5.551 540 HA ALA 552 HA ALA 552 -4.777 -13.366 -7.468 541 HB1 ALA 552 1HB ALA 552 -2.824 -11.852 -5.759 542 HB2 ALA 552 2HB ALA 552 -2.307 -13.023 -6.973 543 HB3 ALA 552 3HB ALA 552 -3.227 -11.599 -7.458 544 H GLY 553 H GLY 553 -3.137 -13.382 -4.302 545 HA2 GLY 553 1HA GLY 553 -2.457 -16.068 -4.301 546 HA3 GLY 553 2HA GLY 553 -2.667 -15.099 -2.851 547 H VAL 554 H VAL 554 -5.085 -14.711 -2.311 548 HA VAL 554 HA VAL 554 -6.236 -17.084 -1.530 549 HB VAL 554 HB VAL 554 -7.787 -14.575 -2.175 550 HG11 VAL 554 1HG1 VAL 554 -9.183 -16.517 -1.723 551 HG12 VAL 554 2HG1 VAL 554 -8.312 -16.810 -0.216 552 HG13 VAL 554 3HG1 VAL 554 -9.289 -15.354 -0.402 553 HG21 VAL 554 3HG2 VAL 554 -6.438 -13.589 -0.683 554 HG22 VAL 554 1HG2 VAL 554 -7.308 -14.540 0.523 555 HG23 VAL 554 2HG2 VAL 554 -5.778 -15.126 -0.128 556 H GLY 555 H GLY 555 -6.404 -15.517 -4.623 557 HA2 GLY 555 1HA GLY 555 -8.733 -16.728 -5.638 558 HA3 GLY 555 2HA GLY 555 -7.399 -16.111 -6.602 559 H PHE 556 H PHE 556 -5.382 -17.597 -6.489 560 HA PHE 556 HA PHE 556 -6.220 -20.162 -7.463 561 HB2 PHE 556 1HB PHE 556 -4.402 -19.205 -8.628 562 HB3 PHE 556 2HB PHE 556 -3.542 -18.826 -7.139 563 HD1 PHE 556 2HD PHE 556 -2.356 -20.568 -5.909 564 HD2 PHE 556 1HD PHE 556 -4.297 -21.387 -9.607 565 HE1 PHE 556 2HE PHE 556 -1.101 -22.676 -6.096 566 HE2 PHE 556 1HE PHE 556 -3.046 -23.497 -9.801 567 HZ PHE 556 HZ PHE 556 -1.445 -24.144 -8.045 568 H PHE 557 H PHE 557 -5.205 -18.904 -4.448 569 HA PHE 557 HA PHE 557 -4.150 -21.323 -3.353 570 HB2 PHE 557 1HB PHE 557 -3.564 -19.080 -2.477 571 HB3 PHE 557 2HB PHE 557 -5.222 -18.888 -1.915 572 HD1 PHE 557 1HD PHE 557 -3.309 -22.031 -1.745 573 HD2 PHE 557 2HD PHE 557 -4.756 -18.647 0.395 574 HE1 PHE 557 1HE PHE 557 -2.709 -23.121 0.379 575 HE2 PHE 557 2HE PHE 557 -4.157 -19.731 2.521 576 HZ PHE 557 HZ PHE 557 -3.132 -21.971 2.514 577 H ILE 558 H ILE 558 -7.228 -20.447 -4.213 578 HA ILE 558 HA ILE 558 -8.733 -21.502 -2.043 579 HB ILE 558 HB ILE 558 -9.608 -19.926 -3.809 580 HG12 ILE 558 1HG1 ILE 558 -11.703 -21.792 -4.037 581 HG13 ILE 558 2HG1 ILE 558 -10.899 -22.159 -2.516 582 HG21 ILE 558 1HG2 ILE 558 -10.176 -20.646 -5.935 583 HG22 ILE 558 2HG2 ILE 558 -8.633 -21.452 -5.659 584 HG23 ILE 558 3HG2 ILE 558 -10.139 -22.349 -5.479 585 HD11 ILE 558 3HD1 ILE 558 -11.203 -19.348 -2.692 586 HD12 ILE 558 1HD1 ILE 558 -12.748 -20.099 -3.089 587 HD13 ILE 558 2HD1 ILE 558 -11.952 -20.473 -1.559 588 H HIS 559 H HIS 559 -6.985 -22.936 -4.607 589 HA HIS 559 HA HIS 559 -8.394 -25.491 -4.256 590 HB2 HIS 559 1HB HIS 559 -6.358 -24.874 -6.392 591 HB3 HIS 559 2HB HIS 559 -7.548 -26.173 -6.365 592 HD1 HIS 559 1HD HIS 559 -10.118 -25.338 -6.593 593 HD2 HIS 559 2HD HIS 559 -7.169 -22.626 -7.694 594 HE1 HIS 559 1HE HIS 559 -11.287 -23.603 -7.989 595 H ARG 560 H ARG 560 -6.156 -27.006 -5.329 596 HA ARG 560 HA ARG 560 -4.290 -28.121 -4.647 597 HB2 ARG 560 1HB ARG 560 -3.755 -25.769 -2.829 598 HB3 ARG 560 2HB ARG 560 -2.596 -26.970 -3.380 599 HG2 ARG 560 1HG ARG 560 -3.490 -26.006 -5.745 600 HG3 ARG 560 2HG ARG 560 -3.618 -24.573 -4.724 601 HD2 ARG 560 1HD ARG 560 -1.425 -24.260 -4.856 602 HD3 ARG 560 2HD ARG 560 -1.141 -25.860 -4.172 603 HE ARG 560 HE ARG 560 -1.741 -26.212 -6.861 604 HH11 ARG 560 1HH1 ARG 560 0.725 -24.697 -4.926 605 HH12 ARG 560 2HH1 ARG 560 1.973 -24.920 -6.107 606 HH21 ARG 560 1HH2 ARG 560 -0.107 -26.512 -8.424 607 HH22 ARG 560 2HH2 ARG 560 1.499 -25.952 -8.097 608 H ARG 561 H ARG 561 -5.112 -26.369 -1.658 609 HA ARG 561 HA ARG 561 -5.299 -28.949 -0.281 610 HB2 ARG 561 1HB ARG 561 -4.988 -26.126 0.748 611 HB3 ARG 561 2HB ARG 561 -5.230 -27.519 1.794 612 HG2 ARG 561 1HG ARG 561 -3.013 -27.653 -0.169 613 HG3 ARG 561 2HG ARG 561 -2.823 -26.575 1.216 614 HD2 ARG 561 1HD ARG 561 -2.966 -28.324 2.750 615 HD3 ARG 561 2HD ARG 561 -3.721 -29.409 1.583 616 HE ARG 561 HE ARG 561 -1.194 -28.810 0.612 617 HH11 ARG 561 1HH1 ARG 561 -2.593 -30.377 3.389 618 HH12 ARG 561 2HH1 ARG 561 -1.253 -31.451 3.620 619 HH21 ARG 561 1HH2 ARG 561 0.574 -30.218 0.906 620 HH22 ARG 561 2HH2 ARG 561 0.548 -31.360 2.207 621 H ARG 562 H ARG 562 -7.438 -28.230 -1.972 622 HA ARG 562 HA ARG 562 -9.581 -26.911 -0.882 623 HB2 ARG 562 1HB ARG 562 -10.999 -28.229 -2.305 624 HB3 ARG 562 2HB ARG 562 -9.489 -27.935 -3.156 625 HG2 ARG 562 1HG ARG 562 -9.584 -30.129 -3.587 626 HG3 ARG 562 2HG ARG 562 -8.938 -30.294 -1.953 627 HD2 ARG 562 1HD ARG 562 -11.405 -30.284 -1.214 628 HD3 ARG 562 2HD ARG 562 -11.762 -30.615 -2.908 629 HE ARG 562 HE ARG 562 -10.758 -32.456 -0.985 630 HH11 ARG 562 1HH1 ARG 562 -10.643 -31.614 -4.361 631 HH12 ARG 562 2HH1 ARG 562 -10.264 -33.222 -4.883 632 HH21 ARG 562 1HH2 ARG 562 -10.260 -34.578 -1.660 633 HH22 ARG 562 2HH2 ARG 562 -10.049 -34.907 -3.347 634 H LYS 563 H LYS 563 -8.342 -30.082 -0.070 635 HA LYS 563 HA LYS 563 -8.896 -31.599 1.536 636 HB2 LYS 563 1HB LYS 563 -9.660 -28.988 2.817 637 HB3 LYS 563 2HB LYS 563 -9.869 -30.512 3.670 638 HG2 LYS 563 1HG LYS 563 -7.216 -30.032 2.467 639 HG3 LYS 563 2HG LYS 563 -7.660 -29.021 3.843 640 HD2 LYS 563 1HD LYS 563 -7.789 -30.821 5.289 641 HD3 LYS 563 2HD LYS 563 -8.073 -31.978 3.987 642 HE2 LYS 563 1HE LYS 563 -5.769 -31.781 3.268 643 HE3 LYS 563 2HE LYS 563 -5.469 -30.534 4.480 644 HZ1 LYS 563 3HZ LYS 563 -5.035 -32.093 5.972 645 HZ2 LYS 563 1HZ LYS 563 -5.201 -33.279 4.776 646 HZ3 LYS 563 2HZ LYS 563 -6.534 -32.836 5.718 Start of MODEL 12 1 H1 GLU 523 H GLU 523 11.595 -7.621 -8.220 2 HA GLU 523 HA GLU 523 9.042 -6.630 -8.625 3 HB2 GLU 523 1HB GLU 523 9.303 -8.207 -6.063 4 HB3 GLU 523 2HB GLU 523 8.040 -7.019 -6.352 5 HG2 GLU 523 1HG GLU 523 8.439 -9.276 -8.263 6 HG3 GLU 523 2HG GLU 523 7.561 -9.527 -6.756 7 H PHE 524 H PHE 524 9.663 -4.572 -8.561 8 HA PHE 524 HA PHE 524 11.437 -3.670 -6.413 9 HB2 PHE 524 1HB PHE 524 11.062 -2.943 -9.197 10 HB3 PHE 524 2HB PHE 524 10.994 -1.528 -8.151 11 HD1 PHE 524 1HD PHE 524 12.925 -0.858 -6.833 12 HD2 PHE 524 2HD PHE 524 13.092 -4.197 -9.468 13 HE1 PHE 524 1HE PHE 524 15.381 -0.826 -6.711 14 HE2 PHE 524 2HE PHE 524 15.550 -4.171 -9.349 15 HZ PHE 524 HZ PHE 524 16.698 -2.485 -7.969 16 H GLN 525 H GLN 525 10.870 -2.114 -4.956 17 HA GLN 525 HA GLN 525 8.124 -1.064 -5.115 18 HB2 GLN 525 1HB GLN 525 9.503 -1.919 -2.567 19 HB3 GLN 525 2HB GLN 525 7.841 -1.371 -2.741 20 HG2 GLN 525 1HG GLN 525 8.233 -3.578 -4.482 21 HG3 GLN 525 2HG GLN 525 8.859 -4.004 -2.890 22 HE21 GLN 525 2HE2 GLN 525 7.240 -5.462 -2.448 23 HE22 GLN 525 1HE2 GLN 525 5.608 -4.986 -2.135 24 H THR 526 H THR 526 8.079 0.577 -2.969 25 HA THR 526 HA THR 526 10.395 2.363 -3.268 26 HB THR 526 HB THR 526 8.658 4.282 -3.129 27 HG1 THR 526 1HG THR 526 7.015 2.298 -4.336 28 HG21 THR 526 3HG2 THR 526 8.198 3.812 -5.736 29 HG22 THR 526 1HG2 THR 526 9.503 2.662 -5.455 30 HG23 THR 526 2HG2 THR 526 9.750 4.374 -5.117 31 H LEU 527 H LEU 527 11.253 2.377 -1.287 32 HA LEU 527 HA LEU 527 9.441 2.697 1.013 33 HB2 LEU 527 1HB LEU 527 11.377 1.777 2.344 34 HB3 LEU 527 2HB LEU 527 10.551 0.645 1.275 35 HG LEU 527 HG LEU 527 12.976 1.996 0.224 36 HD11 LEU 527 1HD1 LEU 527 14.480 1.047 1.580 37 HD12 LEU 527 2HD1 LEU 527 13.559 -0.452 1.712 38 HD13 LEU 527 3HD1 LEU 527 13.147 0.930 2.729 39 HD21 LEU 527 3HD2 LEU 527 11.316 0.094 -0.736 40 HD22 LEU 527 1HD2 LEU 527 12.553 -0.909 0.022 41 HD23 LEU 527 2HD2 LEU 527 13.006 0.263 -1.215 42 H SER 528 H SER 528 9.434 4.990 0.684 43 HA SER 528 HA SER 528 11.935 6.285 1.559 44 HB2 SER 528 1HB SER 528 9.884 7.168 -0.458 45 HB3 SER 528 2HB SER 528 10.926 8.340 0.349 46 HG SER 528 HG SER 528 11.528 6.475 -1.593 47 HA PRO 529 HA PRO 529 8.847 7.051 4.868 48 HB2 PRO 529 1HB PRO 529 10.683 7.039 6.868 49 HB3 PRO 529 2HB PRO 529 9.950 5.564 6.228 50 HG2 PRO 529 1HG PRO 529 12.617 6.776 5.609 51 HG3 PRO 529 2HG PRO 529 12.200 5.076 5.896 52 HD2 PRO 529 1HD PRO 529 12.555 6.091 3.410 53 HD3 PRO 529 2HD PRO 529 11.409 4.778 3.751 54 H GLU 530 H GLU 530 8.211 9.085 5.165 55 HA GLU 530 HA GLU 530 10.246 11.151 5.643 56 HB2 GLU 530 1HB GLU 530 7.784 11.624 3.965 57 HB3 GLU 530 2HB GLU 530 9.145 12.710 4.204 58 HG2 GLU 530 1HG GLU 530 10.312 10.436 3.171 59 HG3 GLU 530 2HG GLU 530 8.790 10.562 2.290 60 H GLY 531 H GLY 531 9.898 11.508 7.767 61 HA2 GLY 531 1HA GLY 531 7.447 11.334 9.107 62 HA3 GLY 531 2HA GLY 531 8.850 12.224 9.679 63 H SER 532 H SER 532 6.654 13.358 10.426 64 HA SER 532 HA SER 532 5.307 15.194 10.326 65 HB2 SER 532 1HB SER 532 7.621 16.171 8.636 66 HB3 SER 532 2HB SER 532 6.341 17.207 9.265 67 HG SER 532 HG SER 532 6.996 16.664 11.358 68 H GLY 533 H GLY 533 3.732 13.938 9.106 69 HA2 GLY 533 1HA GLY 533 2.853 15.327 6.789 70 HA3 GLY 533 2HA GLY 533 3.557 13.781 6.341 71 H ASN 534 H ASN 534 0.836 15.398 7.671 72 HA ASN 534 HA ASN 534 -0.510 13.382 9.003 73 HB2 ASN 534 1HB ASN 534 -1.612 15.590 7.254 74 HB3 ASN 534 2HB ASN 534 -2.602 14.580 8.303 75 HD21 ASN 534 2HD2 ASN 534 -1.331 14.400 10.588 76 HD22 ASN 534 1HD2 ASN 534 -1.038 15.949 11.294 77 H LEU 535 H LEU 535 -0.199 13.950 5.548 78 HA LEU 535 HA LEU 535 -1.974 11.717 4.940 79 HB2 LEU 535 1HB LEU 535 -0.497 13.649 3.159 80 HB3 LEU 535 2HB LEU 535 -1.556 12.364 2.579 81 HG LEU 535 HG LEU 535 -2.845 14.313 2.460 82 HD11 LEU 535 1HD1 LEU 535 -3.997 12.424 3.534 83 HD12 LEU 535 2HD1 LEU 535 -4.616 13.983 4.077 84 HD13 LEU 535 3HD1 LEU 535 -3.532 13.056 5.114 85 HD21 LEU 535 3HD2 LEU 535 -2.562 15.173 5.259 86 HD22 LEU 535 1HD2 LEU 535 -2.655 16.127 3.779 87 HD23 LEU 535 2HD2 LEU 535 -1.129 15.384 4.253 88 H ALA 536 H ALA 536 1.357 12.382 5.323 89 HA ALA 536 HA ALA 536 2.463 10.454 3.582 90 HB1 ALA 536 1HB ALA 536 3.652 12.365 4.773 91 HB2 ALA 536 2HB ALA 536 3.713 11.300 6.178 92 HB3 ALA 536 3HB ALA 536 4.505 10.826 4.676 93 H VAL 537 H VAL 537 1.235 10.277 6.872 94 HA VAL 537 HA VAL 537 2.245 7.813 7.659 95 HB VAL 537 HB VAL 537 -0.522 8.831 8.313 96 HG11 VAL 537 1HG1 VAL 537 0.015 7.654 10.497 97 HG12 VAL 537 2HG1 VAL 537 -0.293 6.621 9.100 98 HG13 VAL 537 3HG1 VAL 537 1.361 6.901 9.642 99 HG21 VAL 537 3HG2 VAL 537 0.874 10.649 8.811 100 HG22 VAL 537 1HG2 VAL 537 0.695 9.796 10.344 101 HG23 VAL 537 2HG2 VAL 537 2.169 9.608 9.396 102 H ILE 538 H ILE 538 -0.170 8.557 5.311 103 HA ILE 538 HA ILE 538 -1.640 6.174 5.284 104 HB ILE 538 HB ILE 538 -0.962 7.887 2.892 105 HG12 ILE 538 1HG1 ILE 538 -3.339 8.114 4.747 106 HG13 ILE 538 2HG1 ILE 538 -1.920 9.151 4.839 107 HG21 ILE 538 1HG2 ILE 538 -3.003 5.769 3.428 108 HG22 ILE 538 2HG2 ILE 538 -3.328 7.044 2.256 109 HG23 ILE 538 3HG2 ILE 538 -1.944 5.975 2.033 110 HD11 ILE 538 3HD1 ILE 538 -4.114 9.104 2.853 111 HD12 ILE 538 1HD1 ILE 538 -3.276 10.469 3.590 112 HD13 ILE 538 2HD1 ILE 538 -2.503 9.554 2.295 113 H GLY 539 H GLY 539 1.042 7.103 3.109 114 HA2 GLY 539 1HA GLY 539 1.329 4.594 1.899 115 HA3 GLY 539 2HA GLY 539 2.578 5.828 1.979 116 H GLY 540 H GLY 540 2.954 5.952 4.746 117 HA2 GLY 540 1HA GLY 540 4.857 4.001 5.191 118 HA3 GLY 540 2HA GLY 540 4.062 4.911 6.468 119 H VAL 541 H VAL 541 1.511 4.029 6.418 120 HA VAL 541 HA VAL 541 1.769 1.416 7.576 121 HB VAL 541 HB VAL 541 -0.743 3.008 7.047 122 HG11 VAL 541 1HG1 VAL 541 -1.424 1.560 9.124 123 HG12 VAL 541 2HG1 VAL 541 -1.530 0.897 7.492 124 HG13 VAL 541 3HG1 VAL 541 -0.160 0.487 8.525 125 HG21 VAL 541 3HG2 VAL 541 0.817 4.262 8.437 126 HG22 VAL 541 1HG2 VAL 541 -0.562 3.711 9.388 127 HG23 VAL 541 2HG2 VAL 541 0.987 2.877 9.516 128 H ALA 542 H ALA 542 -0.135 2.718 4.856 129 HA ALA 542 HA ALA 542 -1.261 0.390 3.926 130 HB1 ALA 542 1HB ALA 542 -1.786 1.533 2.011 131 HB2 ALA 542 2HB ALA 542 -1.419 2.876 3.093 132 HB3 ALA 542 3HB ALA 542 -0.216 2.332 1.925 133 H VAL 543 H VAL 543 1.752 1.819 2.641 134 HA VAL 543 HA VAL 543 2.491 -0.326 1.033 135 HB VAL 543 HB VAL 543 4.279 1.650 2.458 136 HG11 VAL 543 1HG1 VAL 543 4.922 -0.673 0.906 137 HG12 VAL 543 2HG1 VAL 543 5.449 0.782 0.056 138 HG13 VAL 543 3HG1 VAL 543 6.003 0.470 1.702 139 HG21 VAL 543 3HG2 VAL 543 3.878 3.124 0.804 140 HG22 VAL 543 1HG2 VAL 543 3.794 1.870 -0.433 141 HG23 VAL 543 2HG2 VAL 543 2.394 2.196 0.591 142 H GLY 544 H GLY 544 3.471 0.388 4.384 143 HA2 GLY 544 1HA GLY 544 5.196 -1.726 4.816 144 HA3 GLY 544 2HA GLY 544 4.190 -1.005 6.063 145 H VAL 545 H VAL 545 1.674 -1.731 4.878 146 HA VAL 545 HA VAL 545 1.393 -4.331 5.984 147 HB VAL 545 HB VAL 545 -0.540 -2.753 4.280 148 HG11 VAL 545 1HG1 VAL 545 -2.238 -4.239 5.410 149 HG12 VAL 545 2HG1 VAL 545 -1.219 -5.021 4.199 150 HG13 VAL 545 3HG1 VAL 545 -0.888 -5.254 5.917 151 HG21 VAL 545 3HG2 VAL 545 -1.215 -2.980 7.068 152 HG22 VAL 545 1HG2 VAL 545 0.388 -2.271 6.876 153 HG23 VAL 545 2HG2 VAL 545 -1.002 -1.532 6.081 154 H VAL 546 H VAL 546 1.544 -3.090 2.680 155 HA VAL 546 HA VAL 546 0.850 -5.415 1.303 156 HB VAL 546 HB VAL 546 2.899 -3.407 0.370 157 HG11 VAL 546 1HG1 VAL 546 1.889 -3.986 -1.863 158 HG12 VAL 546 2HG1 VAL 546 2.814 -5.277 -1.090 159 HG13 VAL 546 3HG1 VAL 546 1.051 -5.311 -1.052 160 HG21 VAL 546 3HG2 VAL 546 0.384 -2.779 -0.706 161 HG22 VAL 546 1HG2 VAL 546 0.131 -3.011 1.024 162 HG23 VAL 546 2HG2 VAL 546 1.322 -1.841 0.456 163 H LEU 547 H LEU 547 4.095 -4.234 2.183 164 HA LEU 547 HA LEU 547 5.560 -6.369 1.159 165 HB2 LEU 547 1HB LEU 547 6.168 -4.699 3.593 166 HB3 LEU 547 2HB LEU 547 7.326 -5.693 2.713 167 HG LEU 547 HG LEU 547 5.876 -3.434 1.370 168 HD11 LEU 547 1HD1 LEU 547 8.413 -2.512 1.968 169 HD12 LEU 547 2HD1 LEU 547 7.862 -3.249 3.472 170 HD13 LEU 547 3HD1 LEU 547 6.903 -1.983 2.706 171 HD21 LEU 547 3HD2 LEU 547 7.757 -3.497 -0.137 172 HD22 LEU 547 1HD2 LEU 547 7.074 -5.117 0.008 173 HD23 LEU 547 2HD2 LEU 547 8.562 -4.710 0.862 174 H LEU 548 H LEU 548 4.214 -5.918 4.416 175 HA LEU 548 HA LEU 548 5.183 -8.280 5.553 176 HB2 LEU 548 1HB LEU 548 4.005 -6.271 6.644 177 HB3 LEU 548 2HB LEU 548 2.509 -7.111 6.243 178 HG LEU 548 HG LEU 548 3.236 -7.448 8.583 179 HD11 LEU 548 1HD1 LEU 548 2.336 -9.501 8.600 180 HD12 LEU 548 2HD1 LEU 548 3.539 -10.149 7.485 181 HD13 LEU 548 3HD1 LEU 548 2.155 -9.250 6.862 182 HD21 LEU 548 3HD2 LEU 548 5.729 -7.500 7.786 183 HD22 LEU 548 1HD2 LEU 548 5.424 -9.229 7.615 184 HD23 LEU 548 2HD2 LEU 548 5.216 -8.447 9.183 185 H LEU 549 H LEU 549 2.267 -7.649 3.672 186 HA LEU 549 HA LEU 549 0.979 -10.102 4.059 187 HB2 LEU 549 1HB LEU 549 0.156 -7.945 2.916 188 HB3 LEU 549 2HB LEU 549 0.895 -8.608 1.460 189 HG LEU 549 HG LEU 549 -1.262 -9.995 3.048 190 HD11 LEU 549 1HD1 LEU 549 -2.872 -9.094 1.700 191 HD12 LEU 549 2HD1 LEU 549 -1.746 -8.767 0.382 192 HD13 LEU 549 3HD1 LEU 549 -1.760 -7.729 1.808 193 HD21 LEU 549 3HD2 LEU 549 -1.416 -11.089 0.650 194 HD22 LEU 549 1HD2 LEU 549 -0.286 -11.688 1.865 195 HD23 LEU 549 2HD2 LEU 549 0.283 -10.617 0.583 196 H VAL 550 H VAL 550 3.452 -9.125 1.738 197 HA VAL 550 HA VAL 550 3.420 -11.438 0.141 198 HB VAL 550 HB VAL 550 5.743 -9.598 0.732 199 HG11 VAL 550 1HG1 VAL 550 5.327 -11.572 -1.511 200 HG12 VAL 550 2HG1 VAL 550 6.664 -10.427 -1.388 201 HG13 VAL 550 3HG1 VAL 550 6.493 -11.717 -0.196 202 HG21 VAL 550 3HG2 VAL 550 4.583 -9.265 -1.861 203 HG22 VAL 550 1HG2 VAL 550 3.327 -9.117 -0.631 204 HG23 VAL 550 2HG2 VAL 550 4.755 -8.086 -0.561 205 H LEU 551 H LEU 551 5.728 -10.556 2.718 206 HA LEU 551 HA LEU 551 7.126 -12.934 2.832 207 HB2 LEU 551 1HB LEU 551 6.485 -10.851 4.880 208 HB3 LEU 551 2HB LEU 551 7.377 -12.300 5.338 209 HG LEU 551 HG LEU 551 8.905 -10.472 4.938 210 HD11 LEU 551 1HD1 LEU 551 10.426 -11.760 3.908 211 HD12 LEU 551 2HD1 LEU 551 9.415 -11.997 2.483 212 HD13 LEU 551 3HD1 LEU 551 9.148 -12.975 3.927 213 HD21 LEU 551 3HD2 LEU 551 7.493 -9.166 3.421 214 HD22 LEU 551 1HD2 LEU 551 7.746 -10.367 2.155 215 HD23 LEU 551 2HD2 LEU 551 9.107 -9.417 2.754 216 H ALA 552 H ALA 552 3.965 -12.174 4.084 217 HA ALA 552 HA ALA 552 3.705 -14.348 5.875 218 HB1 ALA 552 1HB ALA 552 1.144 -13.814 5.019 219 HB2 ALA 552 2HB ALA 552 1.974 -13.027 6.363 220 HB3 ALA 552 3HB ALA 552 1.982 -12.284 4.764 221 H GLY 553 H GLY 553 1.821 -13.997 2.877 222 HA2 GLY 553 1HA GLY 553 1.197 -16.688 2.596 223 HA3 GLY 553 2HA GLY 553 1.222 -15.528 1.275 224 H VAL 554 H VAL 554 3.787 -14.900 0.917 225 HA VAL 554 HA VAL 554 4.840 -17.097 -0.463 226 HB VAL 554 HB VAL 554 6.328 -14.648 0.496 227 HG11 VAL 554 1HG1 VAL 554 7.848 -16.397 -0.196 228 HG12 VAL 554 2HG1 VAL 554 6.949 -16.622 -1.698 229 HG13 VAL 554 3HG1 VAL 554 7.824 -15.118 -1.410 230 HG21 VAL 554 3HG2 VAL 554 5.793 -14.344 -2.191 231 HG22 VAL 554 1HG2 VAL 554 4.301 -15.036 -1.553 232 HG23 VAL 554 2HG2 VAL 554 4.945 -13.544 -0.867 233 H GLY 555 H GLY 555 5.393 -15.928 2.799 234 HA2 GLY 555 1HA GLY 555 7.704 -17.496 3.331 235 HA3 GLY 555 2HA GLY 555 6.663 -16.748 4.532 236 H PHE 556 H PHE 556 4.305 -18.193 3.347 237 HA PHE 556 HA PHE 556 4.693 -20.653 4.865 238 HB2 PHE 556 1HB PHE 556 2.711 -19.450 5.447 239 HB3 PHE 556 2HB PHE 556 2.236 -19.291 3.759 240 HD1 PHE 556 2HD PHE 556 1.273 -21.168 2.555 241 HD2 PHE 556 1HD PHE 556 2.339 -21.490 6.663 242 HE1 PHE 556 2HE PHE 556 -0.066 -23.224 2.737 243 HE2 PHE 556 1HE PHE 556 1.002 -23.547 6.852 244 HZ PHE 556 HZ PHE 556 -0.205 -24.416 4.888 245 H PHE 557 H PHE 557 4.247 -19.549 1.602 246 HA PHE 557 HA PHE 557 3.465 -22.028 0.462 247 HB2 PHE 557 1HB PHE 557 4.692 -19.532 -0.708 248 HB3 PHE 557 2HB PHE 557 4.278 -20.932 -1.693 249 HD1 PHE 557 2HD PHE 557 1.742 -21.789 -0.527 250 HD2 PHE 557 1HD PHE 557 3.207 -17.871 -1.316 251 HE1 PHE 557 2HE PHE 557 -0.568 -20.969 -0.722 252 HE2 PHE 557 1HE PHE 557 0.898 -17.044 -1.512 253 HZ PHE 557 HZ PHE 557 -0.993 -18.593 -1.216 254 H ILE 558 H ILE 558 6.394 -20.949 1.738 255 HA ILE 558 HA ILE 558 7.991 -22.776 0.095 256 HB ILE 558 HB ILE 558 8.834 -20.461 0.494 257 HG12 ILE 558 1HG1 ILE 558 10.690 -22.430 1.808 258 HG13 ILE 558 2HG1 ILE 558 10.266 -22.586 0.106 259 HG21 ILE 558 1HG2 ILE 558 9.821 -21.004 3.171 260 HG22 ILE 558 2HG2 ILE 558 9.027 -19.568 2.527 261 HG23 ILE 558 3HG2 ILE 558 8.060 -20.926 3.101 262 HD11 ILE 558 3HD1 ILE 558 12.041 -21.287 -0.238 263 HD12 ILE 558 1HD1 ILE 558 10.985 -19.967 0.261 264 HD13 ILE 558 2HD1 ILE 558 12.071 -20.717 1.430 265 H HIS 559 H HIS 559 6.558 -22.476 3.207 266 HA HIS 559 HA HIS 559 8.191 -24.646 4.303 267 HB2 HIS 559 1HB HIS 559 6.266 -22.683 5.525 268 HB3 HIS 559 2HB HIS 559 6.783 -24.120 6.401 269 HD1 HIS 559 1HD HIS 559 9.783 -23.833 5.132 270 HD2 HIS 559 2HD HIS 559 7.649 -21.044 7.351 271 HE1 HIS 559 1HE HIS 559 11.513 -22.313 6.143 272 H ARG 560 H ARG 560 5.089 -24.005 2.958 273 HA ARG 560 HA ARG 560 3.636 -26.131 4.126 274 HB2 ARG 560 1HB ARG 560 1.982 -25.723 2.458 275 HB3 ARG 560 2HB ARG 560 2.661 -24.162 2.899 276 HG2 ARG 560 1HG ARG 560 2.748 -23.880 0.673 277 HG3 ARG 560 2HG ARG 560 4.252 -24.792 0.825 278 HD2 ARG 560 1HD ARG 560 2.416 -26.793 0.641 279 HD3 ARG 560 2HD ARG 560 1.689 -25.556 -0.383 280 HE ARG 560 HE ARG 560 3.943 -27.152 -1.007 281 HH11 ARG 560 1HH1 ARG 560 2.662 -23.936 -1.381 282 HH12 ARG 560 2HH1 ARG 560 3.532 -23.620 -2.845 283 HH21 ARG 560 1HH2 ARG 560 5.094 -26.747 -2.933 284 HH22 ARG 560 2HH2 ARG 560 4.914 -25.219 -3.729 285 H ARG 561 H ARG 561 3.515 -28.246 3.652 286 HA ARG 561 HA ARG 561 4.058 -30.275 2.777 287 HB2 ARG 561 1HB ARG 561 4.127 -28.647 0.232 288 HB3 ARG 561 2HB ARG 561 4.205 -30.402 0.283 289 HG2 ARG 561 1HG ARG 561 1.943 -29.191 1.724 290 HG3 ARG 561 2HG ARG 561 1.931 -28.999 -0.030 291 HD2 ARG 561 1HD ARG 561 2.667 -31.673 0.533 292 HD3 ARG 561 2HD ARG 561 1.265 -31.291 1.530 293 HE ARG 561 HE ARG 561 0.653 -30.368 -0.984 294 HH11 ARG 561 1HH1 ARG 561 1.512 -33.431 0.430 295 HH12 ARG 561 2HH1 ARG 561 0.608 -34.362 -0.718 296 HH21 ARG 561 1HH2 ARG 561 -0.542 -31.582 -2.502 297 HH22 ARG 561 2HH2 ARG 561 -0.559 -33.310 -2.385 298 H ARG 562 H ARG 562 6.183 -28.568 3.798 299 HA ARG 562 HA ARG 562 8.462 -28.309 3.771 300 HB2 ARG 562 1HB ARG 562 9.632 -30.368 3.895 301 HB3 ARG 562 2HB ARG 562 8.017 -30.687 4.516 302 HG2 ARG 562 1HG ARG 562 8.379 -31.155 1.634 303 HG3 ARG 562 2HG ARG 562 9.277 -32.231 2.706 304 HD2 ARG 562 1HD ARG 562 6.658 -31.956 3.754 305 HD3 ARG 562 2HD ARG 562 6.511 -32.280 2.026 306 HE ARG 562 HE ARG 562 7.333 -34.399 2.378 307 HH11 ARG 562 1HH1 ARG 562 7.791 -32.471 5.239 308 HH12 ARG 562 2HH1 ARG 562 8.258 -33.815 6.228 309 HH21 ARG 562 1HH2 ARG 562 7.946 -36.177 3.669 310 HH22 ARG 562 2HH2 ARG 562 8.346 -35.923 5.333 311 H LYS 563 H LYS 563 10.434 -29.659 2.263 312 HA LYS 563 HA LYS 563 10.341 -28.089 -0.148 313 HB2 LYS 563 1HB LYS 563 12.613 -28.983 -0.534 314 HB3 LYS 563 2HB LYS 563 12.434 -28.273 1.064 315 HG2 LYS 563 1HG LYS 563 11.813 -31.071 1.159 316 HG3 LYS 563 2HG LYS 563 13.395 -30.817 0.420 317 HD2 LYS 563 1HD LYS 563 14.260 -29.801 2.317 318 HD3 LYS 563 2HD LYS 563 12.664 -29.373 2.937 319 HE2 LYS 563 1HE LYS 563 13.248 -31.120 4.322 320 HE3 LYS 563 2HE LYS 563 12.331 -31.955 3.070 321 HZ1 LYS 563 3HZ LYS 563 14.890 -32.524 3.882 322 HZ2 LYS 563 1HZ LYS 563 15.085 -31.762 2.384 323 HZ3 LYS 563 2HZ LYS 563 14.108 -33.135 2.512 324 H1 GLU 523 H GLU 523 1.536 30.393 -13.616 325 HA GLU 523 HA GLU 523 3.301 30.655 -11.917 326 HB2 GLU 523 1HB GLU 523 3.695 33.000 -13.366 327 HB3 GLU 523 2HB GLU 523 3.091 33.551 -11.809 328 HG2 GLU 523 1HG GLU 523 4.899 32.703 -10.655 329 HG3 GLU 523 2HG GLU 523 5.294 31.541 -11.920 330 H PHE 524 H PHE 524 0.346 32.362 -12.608 331 HA PHE 524 HA PHE 524 -0.370 33.167 -10.028 332 HB2 PHE 524 1HB PHE 524 -1.719 32.807 -12.603 333 HB3 PHE 524 2HB PHE 524 -2.775 32.546 -11.219 334 HD1 PHE 524 2HD PHE 524 -0.069 34.957 -12.123 335 HD2 PHE 524 1HD PHE 524 -4.016 34.374 -10.638 336 HE1 PHE 524 2HE PHE 524 -0.329 37.390 -11.868 337 HE2 PHE 524 1HE PHE 524 -4.282 36.807 -10.381 338 HZ PHE 524 HZ PHE 524 -2.436 38.318 -10.996 339 H GLN 525 H GLN 525 -1.523 32.206 -8.383 340 HA GLN 525 HA GLN 525 -2.632 29.587 -8.586 341 HB2 GLN 525 1HB GLN 525 -1.048 28.630 -6.813 342 HB3 GLN 525 2HB GLN 525 -0.454 28.725 -8.466 343 HG2 GLN 525 1HG GLN 525 1.274 29.425 -6.964 344 HG3 GLN 525 2HG GLN 525 0.717 30.818 -7.890 345 HE21 GLN 525 2HE2 GLN 525 0.178 32.582 -6.811 346 HE22 GLN 525 1HE2 GLN 525 -0.102 32.679 -5.107 347 H THR 526 H THR 526 -2.943 28.740 -6.147 348 HA THR 526 HA THR 526 -3.404 30.894 -4.271 349 HB THR 526 HB THR 526 -5.854 30.103 -4.005 350 HG1 THR 526 1HG THR 526 -5.475 28.380 -5.643 351 HG21 THR 526 3HG2 THR 526 -6.590 31.905 -5.271 352 HG22 THR 526 1HG2 THR 526 -5.397 31.633 -6.539 353 HG23 THR 526 2HG2 THR 526 -4.898 32.311 -4.990 354 H LEU 527 H LEU 527 -4.682 29.916 -2.297 355 HA LEU 527 HA LEU 527 -4.618 28.489 -0.527 356 HB2 LEU 527 1HB LEU 527 -4.296 26.363 -2.639 357 HB3 LEU 527 2HB LEU 527 -4.825 26.119 -0.975 358 HG LEU 527 HG LEU 527 -6.544 28.005 -2.307 359 HD11 LEU 527 1HD1 LEU 527 -6.753 25.312 -3.553 360 HD12 LEU 527 2HD1 LEU 527 -5.598 26.467 -4.218 361 HD13 LEU 527 3HD1 LEU 527 -7.311 26.879 -4.142 362 HD21 LEU 527 3HD2 LEU 527 -8.208 26.156 -1.703 363 HD22 LEU 527 1HD2 LEU 527 -7.333 26.934 -0.384 364 HD23 LEU 527 2HD2 LEU 527 -6.833 25.341 -0.953 365 H SER 528 H SER 528 -3.253 26.389 0.268 366 HA SER 528 HA SER 528 -0.674 27.310 0.748 367 HB2 SER 528 1HB SER 528 -1.788 24.503 0.911 368 HB3 SER 528 2HB SER 528 -0.209 24.971 1.538 369 HG SER 528 HG SER 528 -1.441 25.278 3.261 370 HA PRO 529 HA PRO 529 1.748 26.242 -2.751 371 HB2 PRO 529 1HB PRO 529 4.111 25.581 -1.589 372 HB3 PRO 529 2HB PRO 529 3.519 27.244 -1.686 373 HG2 PRO 529 1HG PRO 529 3.399 25.323 0.606 374 HG3 PRO 529 2HG PRO 529 3.803 27.049 0.613 375 HD2 PRO 529 1HD PRO 529 1.362 26.121 1.327 376 HD3 PRO 529 2HD PRO 529 1.592 27.696 0.540 377 H GLU 530 H GLU 530 1.186 23.919 -0.256 378 HA GLU 530 HA GLU 530 1.409 21.764 -2.183 379 HB2 GLU 530 1HB GLU 530 2.747 20.404 -0.465 380 HB3 GLU 530 2HB GLU 530 3.615 21.600 -1.416 381 HG2 GLU 530 1HG GLU 530 3.614 23.144 0.419 382 HG3 GLU 530 2HG GLU 530 2.588 22.073 1.371 383 H GLY 531 H GLY 531 -0.644 21.075 -2.014 384 HA2 GLY 531 1HA GLY 531 -1.539 19.455 0.013 385 HA3 GLY 531 2HA GLY 531 -2.085 21.065 0.460 386 H SER 532 H SER 532 -1.854 19.442 -2.697 387 HA SER 532 HA SER 532 -4.713 20.033 -3.087 388 HB2 SER 532 1HB SER 532 -2.509 19.707 -5.136 389 HB3 SER 532 2HB SER 532 -4.210 19.960 -5.522 390 HG SER 532 HG SER 532 -3.847 22.004 -5.281 391 H GLY 533 H GLY 533 -3.710 17.695 -1.713 392 HA2 GLY 533 1HA GLY 533 -4.416 15.494 -1.611 393 HA3 GLY 533 2HA GLY 533 -5.173 15.702 -3.184 394 H ASN 534 H ASN 534 -1.838 16.539 -2.825 395 HA ASN 534 HA ASN 534 -1.051 14.676 -4.827 396 HB2 ASN 534 1HB ASN 534 0.571 16.450 -2.991 397 HB3 ASN 534 2HB ASN 534 1.262 15.493 -4.297 398 HD21 ASN 534 2HD2 ASN 534 -0.455 18.329 -3.442 399 HD22 ASN 534 1HD2 ASN 534 -0.561 19.012 -5.025 400 H LEU 535 H LEU 535 -1.113 14.632 -1.358 401 HA LEU 535 HA LEU 535 0.610 12.291 -1.203 402 HB2 LEU 535 1HB LEU 535 -0.841 13.859 0.921 403 HB3 LEU 535 2HB LEU 535 0.203 12.475 1.239 404 HG LEU 535 HG LEU 535 1.517 14.350 1.726 405 HD11 LEU 535 1HD1 LEU 535 2.198 13.661 -1.128 406 HD12 LEU 535 2HD1 LEU 535 2.618 12.676 0.273 407 HD13 LEU 535 3HD1 LEU 535 3.290 14.297 0.103 408 HD21 LEU 535 3HD2 LEU 535 1.286 16.387 0.826 409 HD22 LEU 535 1HD2 LEU 535 -0.194 15.740 0.116 410 HD23 LEU 535 2HD2 LEU 535 1.298 15.765 -0.825 411 H ALA 536 H ALA 536 -2.713 13.059 -1.435 412 HA ALA 536 HA ALA 536 -3.841 10.846 -0.095 413 HB1 ALA 536 1HB ALA 536 -5.880 11.446 -1.084 414 HB2 ALA 536 2HB ALA 536 -5.004 12.967 -0.899 415 HB3 ALA 536 3HB ALA 536 -5.087 12.183 -2.476 416 H VAL 537 H VAL 537 -2.631 11.292 -3.366 417 HA VAL 537 HA VAL 537 -3.669 9.032 -4.602 418 HB VAL 537 HB VAL 537 -0.898 10.135 -5.073 419 HG11 VAL 537 1HG1 VAL 537 -2.810 8.523 -6.744 420 HG12 VAL 537 2HG1 VAL 537 -1.437 9.393 -7.430 421 HG13 VAL 537 3HG1 VAL 537 -1.168 8.106 -6.256 422 HG21 VAL 537 3HG2 VAL 537 -2.108 11.487 -6.866 423 HG22 VAL 537 1HG2 VAL 537 -3.587 11.118 -5.979 424 HG23 VAL 537 2HG2 VAL 537 -2.292 12.023 -5.196 425 H ILE 538 H ILE 538 -1.224 9.295 -2.181 426 HA ILE 538 HA ILE 538 0.222 6.942 -2.620 427 HB ILE 538 HB ILE 538 -0.433 8.166 0.060 428 HG12 ILE 538 1HG1 ILE 538 1.942 8.727 -1.724 429 HG13 ILE 538 2HG1 ILE 538 0.531 9.773 -1.612 430 HG21 ILE 538 1HG2 ILE 538 1.596 6.180 -0.882 431 HG22 ILE 538 2HG2 ILE 538 1.922 7.197 0.521 432 HG23 ILE 538 3HG2 ILE 538 0.533 6.109 0.522 433 HD11 ILE 538 3HD1 ILE 538 1.892 10.819 -0.136 434 HD12 ILE 538 1HD1 ILE 538 1.121 9.673 0.962 435 HD13 ILE 538 2HD1 ILE 538 2.729 9.335 0.319 436 H GLY 539 H GLY 539 -2.461 7.452 -0.315 437 HA2 GLY 539 1HA GLY 539 -2.754 4.751 0.388 438 HA3 GLY 539 2HA GLY 539 -3.988 5.988 0.570 439 H GLY 540 H GLY 540 -4.361 6.664 -2.129 440 HA2 GLY 540 1HA GLY 540 -6.305 4.875 -2.933 441 HA3 GLY 540 2HA GLY 540 -5.493 5.997 -4.013 442 H VAL 541 H VAL 541 -2.964 5.072 -4.154 443 HA VAL 541 HA VAL 541 -3.281 2.732 -5.785 444 HB VAL 541 HB VAL 541 -0.750 4.178 -4.991 445 HG11 VAL 541 1HG1 VAL 541 0.108 2.240 -5.811 446 HG12 VAL 541 2HG1 VAL 541 -1.327 1.882 -6.774 447 HG13 VAL 541 3HG1 VAL 541 -0.155 3.074 -7.341 448 HG21 VAL 541 3HG2 VAL 541 -1.554 4.574 -7.713 449 HG22 VAL 541 1HG2 VAL 541 -2.866 5.034 -6.628 450 HG23 VAL 541 2HG2 VAL 541 -1.275 5.770 -6.448 451 H ALA 542 H ALA 542 -1.347 3.463 -2.880 452 HA ALA 542 HA ALA 542 -0.251 0.984 -2.418 453 HB1 ALA 542 1HB ALA 542 -1.269 2.550 -0.093 454 HB2 ALA 542 2HB ALA 542 0.273 1.720 -0.303 455 HB3 ALA 542 3HB ALA 542 -0.026 3.248 -1.131 456 H VAL 543 H VAL 543 -3.247 2.184 -0.888 457 HA VAL 543 HA VAL 543 -4.011 -0.217 0.292 458 HB VAL 543 HB VAL 543 -5.773 2.017 -0.725 459 HG11 VAL 543 1HG1 VAL 543 -6.961 0.724 1.464 460 HG12 VAL 543 2HG1 VAL 543 -7.513 0.735 -0.212 461 HG13 VAL 543 3HG1 VAL 543 -6.449 -0.550 0.360 462 HG21 VAL 543 3HG2 VAL 543 -5.389 3.126 1.208 463 HG22 VAL 543 1HG2 VAL 543 -5.250 1.645 2.154 464 HG23 VAL 543 2HG2 VAL 543 -3.886 2.204 1.188 465 H GLY 544 H GLY 544 -4.985 1.131 -2.858 466 HA2 GLY 544 1HA GLY 544 -6.739 -0.840 -3.677 467 HA3 GLY 544 2HA GLY 544 -5.724 0.092 -4.769 468 H VAL 545 H VAL 545 -3.217 -0.876 -3.755 469 HA VAL 545 HA VAL 545 -2.973 -3.225 -5.332 470 HB VAL 545 HB VAL 545 -1.014 -2.025 -3.371 471 HG11 VAL 545 1HG1 VAL 545 -0.184 -4.153 -3.670 472 HG12 VAL 545 2HG1 VAL 545 -0.822 -4.286 -5.310 473 HG13 VAL 545 3HG1 VAL 545 0.596 -3.288 -4.992 474 HG21 VAL 545 3HG2 VAL 545 -0.441 -1.745 -6.205 475 HG22 VAL 545 1HG2 VAL 545 -1.952 -0.965 -5.740 476 HG23 VAL 545 2HG2 VAL 545 -0.448 -0.529 -4.928 477 H VAL 546 H VAL 546 -3.105 -2.628 -1.854 478 HA VAL 546 HA VAL 546 -2.437 -5.181 -0.946 479 HB VAL 546 HB VAL 546 -4.450 -3.358 0.366 480 HG11 VAL 546 1HG1 VAL 546 -4.379 -5.471 1.446 481 HG12 VAL 546 2HG1 VAL 546 -2.617 -5.516 1.388 482 HG13 VAL 546 3HG1 VAL 546 -3.436 -4.362 2.440 483 HG21 VAL 546 3HG2 VAL 546 -1.678 -2.882 -0.223 484 HG22 VAL 546 1HG2 VAL 546 -2.853 -1.823 0.558 485 HG23 VAL 546 2HG2 VAL 546 -1.924 -2.972 1.522 486 H LEU 547 H LEU 547 -5.645 -3.808 -1.647 487 HA LEU 547 HA LEU 547 -7.157 -6.067 -1.004 488 HB2 LEU 547 1HB LEU 547 -7.747 -4.004 -3.122 489 HB3 LEU 547 2HB LEU 547 -8.916 -5.087 -2.369 490 HG LEU 547 HG LEU 547 -7.373 -3.162 -0.679 491 HD11 LEU 547 1HD1 LEU 547 -9.967 -2.417 -1.990 492 HD12 LEU 547 2HD1 LEU 547 -8.408 -1.989 -2.693 493 HD13 LEU 547 3HD1 LEU 547 -8.845 -1.391 -1.093 494 HD21 LEU 547 3HD2 LEU 547 -9.283 -5.098 -0.181 495 HD22 LEU 547 1HD2 LEU 547 -10.194 -3.588 -0.156 496 HD23 LEU 547 2HD2 LEU 547 -8.802 -3.795 0.908 497 H LEU 548 H LEU 548 -5.779 -5.057 -4.119 498 HA LEU 548 HA LEU 548 -6.786 -7.147 -5.676 499 HB2 LEU 548 1HB LEU 548 -5.545 -5.003 -6.370 500 HB3 LEU 548 2HB LEU 548 -4.076 -5.941 -6.118 501 HG LEU 548 HG LEU 548 -4.777 -5.826 -8.486 502 HD11 LEU 548 1HD1 LEU 548 -5.162 -8.672 -7.903 503 HD12 LEU 548 2HD1 LEU 548 -3.764 -7.940 -7.118 504 HD13 LEU 548 3HD1 LEU 548 -3.931 -7.864 -8.872 505 HD21 LEU 548 3HD2 LEU 548 -7.295 -6.019 -7.658 506 HD22 LEU 548 1HD2 LEU 548 -6.994 -7.728 -7.969 507 HD23 LEU 548 2HD2 LEU 548 -6.790 -6.547 -9.264 508 H LEU 549 H LEU 549 -3.875 -6.947 -3.692 509 HA LEU 549 HA LEU 549 -2.667 -9.340 -4.513 510 HB2 LEU 549 1HB LEU 549 -1.757 -7.430 -3.042 511 HB3 LEU 549 2HB LEU 549 -2.508 -8.301 -1.705 512 HG LEU 549 HG LEU 549 -0.414 -9.474 -3.531 513 HD11 LEU 549 1HD1 LEU 549 1.236 -8.884 -2.057 514 HD12 LEU 549 2HD1 LEU 549 0.120 -8.715 -0.702 515 HD13 LEU 549 3HD1 LEU 549 0.187 -7.470 -1.951 516 HD21 LEU 549 3HD2 LEU 549 -0.285 -10.957 -1.346 517 HD22 LEU 549 1HD2 LEU 549 -1.429 -11.311 -2.640 518 HD23 LEU 549 2HD2 LEU 549 -1.968 -10.453 -1.196 519 H VAL 550 H VAL 550 -5.084 -8.674 -2.027 520 HA VAL 550 HA VAL 550 -5.124 -11.199 -0.812 521 HB VAL 550 HB VAL 550 -7.406 -9.245 -1.137 522 HG11 VAL 550 1HG1 VAL 550 -8.367 -10.359 0.825 523 HG12 VAL 550 2HG1 VAL 550 -8.198 -11.469 -0.538 524 HG13 VAL 550 3HG1 VAL 550 -7.050 -11.530 0.800 525 HG21 VAL 550 3HG2 VAL 550 -4.991 -9.035 0.312 526 HG22 VAL 550 1HG2 VAL 550 -6.388 -7.960 0.360 527 HG23 VAL 550 2HG2 VAL 550 -6.279 -9.314 1.485 528 H LEU 551 H LEU 551 -7.403 -9.898 -3.234 529 HA LEU 551 HA LEU 551 -8.844 -12.201 -3.710 530 HB2 LEU 551 1HB LEU 551 -8.139 -9.853 -5.425 531 HB3 LEU 551 2HB LEU 551 -9.056 -11.200 -6.098 532 HG LEU 551 HG LEU 551 -10.553 -9.421 -5.444 533 HD11 LEU 551 1HD1 LEU 551 -10.906 -12.013 -4.878 534 HD12 LEU 551 2HD1 LEU 551 -12.119 -10.777 -4.543 535 HD13 LEU 551 3HD1 LEU 551 -11.053 -11.339 -3.255 536 HD21 LEU 551 3HD2 LEU 551 -9.416 -9.745 -2.668 537 HD22 LEU 551 1HD2 LEU 551 -10.754 -8.693 -3.131 538 HD23 LEU 551 2HD2 LEU 551 -9.131 -8.377 -3.745 539 H ALA 552 H ALA 552 -5.740 -11.218 -5.053 540 HA ALA 552 HA ALA 552 -5.506 -13.178 -7.044 541 HB1 ALA 552 1HB ALA 552 -4.010 -11.327 -7.060 542 HB2 ALA 552 2HB ALA 552 -3.407 -11.724 -5.450 543 HB3 ALA 552 3HB ALA 552 -3.042 -12.781 -6.812 544 H GLY 553 H GLY 553 -3.553 -13.212 -4.071 545 HA2 GLY 553 1HA GLY 553 -2.908 -15.907 -4.149 546 HA3 GLY 553 2HA GLY 553 -2.931 -14.935 -2.685 547 H VAL 554 H VAL 554 -5.321 -14.483 -1.939 548 HA VAL 554 HA VAL 554 -6.382 -16.820 -0.952 549 HB VAL 554 HB VAL 554 -7.985 -14.336 -1.566 550 HG11 VAL 554 1HG1 VAL 554 -8.366 -16.486 0.514 551 HG12 VAL 554 2HG1 VAL 554 -9.361 -15.042 0.325 552 HG13 VAL 554 3HG1 VAL 554 -9.338 -16.271 -0.940 553 HG21 VAL 554 3HG2 VAL 554 -6.644 -13.266 -0.148 554 HG22 VAL 554 1HG2 VAL 554 -7.234 -14.338 1.122 555 HG23 VAL 554 2HG2 VAL 554 -5.769 -14.750 0.231 556 H GLY 555 H GLY 555 -7.196 -15.149 -3.959 557 HA2 GLY 555 1HA GLY 555 -9.469 -16.525 -4.718 558 HA3 GLY 555 2HA GLY 555 -8.275 -15.895 -5.844 559 H PHE 556 H PHE 556 -6.132 -17.378 -5.651 560 HA PHE 556 HA PHE 556 -6.987 -19.933 -6.664 561 HB2 PHE 556 1HB PHE 556 -5.174 -18.882 -7.816 562 HB3 PHE 556 2HB PHE 556 -4.269 -18.662 -6.320 563 HD1 PHE 556 2HD PHE 556 -5.341 -21.081 -8.861 564 HD2 PHE 556 1HD PHE 556 -2.988 -20.446 -5.371 565 HE1 PHE 556 2HE PHE 556 -4.191 -23.221 -9.251 566 HE2 PHE 556 1HE PHE 556 -1.835 -22.586 -5.756 567 HZ PHE 556 HZ PHE 556 -2.436 -23.975 -7.698 568 H PHE 557 H PHE 557 -6.044 -18.699 -3.640 569 HA PHE 557 HA PHE 557 -4.758 -20.902 -2.483 570 HB2 PHE 557 1HB PHE 557 -5.046 -18.528 -1.548 571 HB3 PHE 557 2HB PHE 557 -6.616 -19.075 -0.970 572 HD1 PHE 557 1HD PHE 557 -2.992 -19.875 -0.818 573 HD2 PHE 557 2HD PHE 557 -6.796 -20.162 1.070 574 HE1 PHE 557 1HE PHE 557 -1.919 -20.804 1.194 575 HE2 PHE 557 2HE PHE 557 -5.731 -21.092 3.084 576 HZ PHE 557 HZ PHE 557 -3.289 -21.413 3.147 577 H ILE 558 H ILE 558 -8.010 -20.469 -3.432 578 HA ILE 558 HA ILE 558 -9.134 -22.397 -1.607 579 HB ILE 558 HB ILE 558 -10.458 -20.503 -2.546 580 HG12 ILE 558 1HG1 ILE 558 -12.002 -22.773 -3.542 581 HG13 ILE 558 2HG1 ILE 558 -11.239 -23.098 -1.990 582 HG21 ILE 558 1HG2 ILE 558 -10.838 -20.206 -4.742 583 HG22 ILE 558 2HG2 ILE 558 -9.395 -21.200 -4.937 584 HG23 ILE 558 3HG2 ILE 558 -10.994 -21.935 -5.053 585 HD11 ILE 558 3HD1 ILE 558 -12.806 -21.940 -0.956 586 HD12 ILE 558 1HD1 ILE 558 -12.421 -20.510 -1.912 587 HD13 ILE 558 2HD1 ILE 558 -13.607 -21.675 -2.504 588 H HIS 559 H HIS 559 -7.602 -22.450 -4.689 589 HA HIS 559 HA HIS 559 -8.675 -25.047 -5.418 590 HB2 HIS 559 1HB HIS 559 -6.682 -23.200 -6.730 591 HB3 HIS 559 2HB HIS 559 -7.055 -24.800 -7.362 592 HD1 HIS 559 1HD HIS 559 -7.793 -21.594 -8.248 593 HD2 HIS 559 2HD HIS 559 -10.250 -24.816 -7.332 594 HE1 HIS 559 1HE HIS 559 -10.002 -21.084 -9.334 595 H ARG 560 H ARG 560 -6.066 -23.796 -3.629 596 HA ARG 560 HA ARG 560 -4.140 -25.820 -4.096 597 HB2 ARG 560 1HB ARG 560 -4.558 -23.908 -1.799 598 HB3 ARG 560 2HB ARG 560 -3.201 -25.025 -1.879 599 HG2 ARG 560 1HG ARG 560 -3.470 -23.502 -4.321 600 HG3 ARG 560 2HG ARG 560 -3.304 -22.459 -2.907 601 HD2 ARG 560 1HD ARG 560 -1.099 -22.799 -3.302 602 HD3 ARG 560 2HD ARG 560 -1.401 -24.249 -2.344 603 HE ARG 560 HE ARG 560 -1.807 -24.614 -5.168 604 HH11 ARG 560 1HH1 ARG 560 0.517 -24.654 -2.575 605 HH12 ARG 560 2HH1 ARG 560 1.608 -25.721 -3.395 606 HH21 ARG 560 1HH2 ARG 560 -0.379 -26.020 -6.257 607 HH22 ARG 560 2HH2 ARG 560 1.098 -26.496 -5.490 608 H ARG 561 H ARG 561 -6.487 -25.350 -1.458 609 HA ARG 561 HA ARG 561 -6.130 -28.184 -0.745 610 HB2 ARG 561 1HB ARG 561 -7.284 -25.984 0.975 611 HB3 ARG 561 2HB ARG 561 -6.900 -27.626 1.475 612 HG2 ARG 561 1HG ARG 561 -4.519 -26.645 0.446 613 HG3 ARG 561 2HG ARG 561 -5.209 -25.291 1.343 614 HD2 ARG 561 1HD ARG 561 -4.192 -26.289 3.092 615 HD3 ARG 561 2HD ARG 561 -5.648 -27.282 3.095 616 HE ARG 561 HE ARG 561 -3.609 -28.347 1.404 617 HH11 ARG 561 1HH1 ARG 561 -4.691 -28.110 4.703 618 HH12 ARG 561 2HH1 ARG 561 -3.911 -29.573 5.202 619 HH21 ARG 561 1HH2 ARG 561 -2.577 -30.277 2.047 620 HH22 ARG 561 2HH2 ARG 561 -2.708 -30.805 3.691 621 H ARG 562 H ARG 562 -7.789 -27.325 -2.917 622 HA ARG 562 HA ARG 562 -9.919 -27.464 -3.742 623 HB2 ARG 562 1HB ARG 562 -10.990 -29.519 -3.302 624 HB3 ARG 562 2HB ARG 562 -9.274 -29.841 -3.086 625 HG2 ARG 562 1HG ARG 562 -9.475 -30.193 -0.856 626 HG3 ARG 562 2HG ARG 562 -10.811 -29.051 -0.684 627 HD2 ARG 562 1HD ARG 562 -12.234 -30.753 -0.691 628 HD3 ARG 562 2HD ARG 562 -11.729 -31.144 -2.335 629 HE ARG 562 HE ARG 562 -10.654 -32.963 -1.494 630 HH11 ARG 562 1HH1 ARG 562 -11.017 -30.624 1.061 631 HH12 ARG 562 2HH1 ARG 562 -10.341 -31.656 2.278 632 HH21 ARG 562 1HH2 ARG 562 -9.763 -34.330 0.100 633 HH22 ARG 562 2HH2 ARG 562 -9.627 -33.762 1.730 634 H LYS 563 H LYS 563 -12.340 -28.199 -2.601 635 HA LYS 563 HA LYS 563 -12.897 -25.825 -0.997 636 HB2 LYS 563 1HB LYS 563 -14.706 -27.792 -2.405 637 HB3 LYS 563 2HB LYS 563 -15.295 -26.453 -1.429 638 HG2 LYS 563 1HG LYS 563 -13.857 -24.984 -2.990 639 HG3 LYS 563 2HG LYS 563 -13.872 -26.388 -4.058 640 HD2 LYS 563 1HD LYS 563 -16.090 -26.180 -4.525 641 HD3 LYS 563 2HD LYS 563 -16.473 -25.512 -2.936 642 HE2 LYS 563 1HE LYS 563 -15.080 -23.469 -3.799 643 HE3 LYS 563 2HE LYS 563 -15.459 -24.138 -5.385 644 HZ1 LYS 563 3HZ LYS 563 -17.037 -22.432 -4.110 645 HZ2 LYS 563 1HZ LYS 563 -17.688 -23.884 -3.537 646 HZ3 LYS 563 2HZ LYS 563 -17.621 -23.586 -5.201 Start of MODEL 13 1 H1 GLU 523 H GLU 523 7.941 -5.413 -12.226 2 HA GLU 523 HA GLU 523 5.576 -5.829 -11.144 3 HB2 GLU 523 1HB GLU 523 8.062 -7.458 -10.961 4 HB3 GLU 523 2HB GLU 523 6.675 -7.971 -10.011 5 HG2 GLU 523 1HG GLU 523 6.445 -7.402 -12.942 6 HG3 GLU 523 2HG GLU 523 6.974 -8.971 -12.339 7 H PHE 524 H PHE 524 8.455 -5.166 -9.238 8 HA PHE 524 HA PHE 524 6.778 -5.064 -6.818 9 HB2 PHE 524 1HB PHE 524 8.978 -5.248 -5.585 10 HB3 PHE 524 2HB PHE 524 8.513 -6.674 -6.507 11 HD1 PHE 524 2HD PHE 524 9.719 -7.308 -8.513 12 HD2 PHE 524 1HD PHE 524 10.863 -3.897 -6.237 13 HE1 PHE 524 2HE PHE 524 11.880 -7.250 -9.689 14 HE2 PHE 524 1HE PHE 524 13.024 -3.835 -7.409 15 HZ PHE 524 HZ PHE 524 13.536 -5.514 -9.138 16 H GLN 525 H GLN 525 6.708 -3.231 -5.604 17 HA GLN 525 HA GLN 525 8.427 -0.985 -6.372 18 HB2 GLN 525 1HB GLN 525 5.442 -0.727 -5.980 19 HB3 GLN 525 2HB GLN 525 6.562 0.551 -6.437 20 HG2 GLN 525 1HG GLN 525 7.031 -1.186 -8.422 21 HG3 GLN 525 2HG GLN 525 5.352 -1.587 -8.065 22 HE21 GLN 525 2HE2 GLN 525 7.516 1.083 -8.843 23 HE22 GLN 525 1HE2 GLN 525 6.326 2.056 -9.632 24 H THR 526 H THR 526 9.032 0.336 -4.717 25 HA THR 526 HA THR 526 7.711 0.136 -2.134 26 HB THR 526 HB THR 526 9.868 -0.284 -0.947 27 HG1 THR 526 1HG THR 526 10.741 -0.707 -3.615 28 HG21 THR 526 3HG2 THR 526 9.903 -2.697 -1.349 29 HG22 THR 526 1HG2 THR 526 9.000 -2.468 -2.845 30 HG23 THR 526 2HG2 THR 526 8.247 -2.091 -1.295 31 H LEU 527 H LEU 527 7.491 2.138 -1.400 32 HA LEU 527 HA LEU 527 9.597 4.104 -2.018 33 HB2 LEU 527 1HB LEU 527 7.747 5.814 -1.939 34 HB3 LEU 527 2HB LEU 527 7.750 4.735 -3.332 35 HG LEU 527 HG LEU 527 6.044 3.986 -1.019 36 HD11 LEU 527 1HD1 LEU 527 5.900 6.573 -1.996 37 HD12 LEU 527 2HD1 LEU 527 4.644 5.709 -1.108 38 HD13 LEU 527 3HD1 LEU 527 4.636 5.709 -2.872 39 HD21 LEU 527 3HD2 LEU 527 5.066 3.976 -3.795 40 HD22 LEU 527 1HD2 LEU 527 4.964 2.734 -2.546 41 HD23 LEU 527 2HD2 LEU 527 6.452 2.933 -3.472 42 H SER 528 H SER 528 10.567 4.904 -0.284 43 HA SER 528 HA SER 528 9.967 4.209 2.333 44 HB2 SER 528 1HB SER 528 11.616 5.799 3.009 45 HB3 SER 528 2HB SER 528 12.143 5.173 1.447 46 HG SER 528 HG SER 528 12.238 7.218 0.955 47 HA PRO 529 HA PRO 529 6.685 6.800 3.665 48 HB2 PRO 529 1HB PRO 529 7.373 7.249 6.252 49 HB3 PRO 529 2HB PRO 529 6.779 5.689 5.673 50 HG2 PRO 529 1HG PRO 529 9.593 6.573 6.182 51 HG3 PRO 529 2HG PRO 529 8.813 5.033 6.588 52 HD2 PRO 529 1HD PRO 529 10.431 5.323 4.436 53 HD3 PRO 529 2HD PRO 529 9.054 4.203 4.452 54 H GLU 530 H GLU 530 7.101 8.649 2.366 55 HA GLU 530 HA GLU 530 7.924 10.958 3.904 56 HB2 GLU 530 1HB GLU 530 9.404 11.715 1.938 57 HB3 GLU 530 2HB GLU 530 10.063 10.536 3.063 58 HG2 GLU 530 1HG GLU 530 9.540 8.739 1.507 59 HG3 GLU 530 2HG GLU 530 8.850 9.906 0.381 60 H GLY 531 H GLY 531 6.102 12.104 3.677 61 HA2 GLY 531 1HA GLY 531 5.028 12.437 0.943 62 HA3 GLY 531 2HA GLY 531 4.025 12.430 2.387 63 H SER 532 H SER 532 4.081 14.233 3.798 64 HA SER 532 HA SER 532 5.662 16.527 3.351 65 HB2 SER 532 1HB SER 532 4.108 18.026 2.308 66 HB3 SER 532 2HB SER 532 4.193 16.585 1.296 67 HG SER 532 HG SER 532 2.079 17.627 2.672 68 H GLY 533 H GLY 533 2.498 15.351 4.434 69 HA2 GLY 533 1HA GLY 533 2.963 16.730 6.990 70 HA3 GLY 533 2HA GLY 533 1.437 16.970 6.153 71 H ASN 534 H ASN 534 -0.164 15.779 6.915 72 HA ASN 534 HA ASN 534 0.423 13.407 8.491 73 HB2 ASN 534 1HB ASN 534 -2.298 14.577 7.902 74 HB3 ASN 534 2HB ASN 534 -1.845 13.514 9.231 75 HD21 ASN 534 2HD2 ASN 534 0.205 14.535 10.423 76 HD22 ASN 534 1HD2 ASN 534 -0.057 16.162 10.942 77 H LEU 535 H LEU 535 -0.462 14.181 5.302 78 HA LEU 535 HA LEU 535 -1.980 11.850 4.685 79 HB2 LEU 535 1HB LEU 535 -0.488 13.820 2.969 80 HB3 LEU 535 2HB LEU 535 -1.426 12.483 2.310 81 HG LEU 535 HG LEU 535 -2.788 14.403 2.140 82 HD11 LEU 535 1HD1 LEU 535 -4.684 13.867 3.545 83 HD12 LEU 535 2HD1 LEU 535 -3.651 12.931 4.625 84 HD13 LEU 535 3HD1 LEU 535 -3.920 12.386 2.970 85 HD21 LEU 535 3HD2 LEU 535 -2.677 15.027 5.047 86 HD22 LEU 535 1HD2 LEU 535 -2.989 16.088 3.673 87 HD23 LEU 535 2HD2 LEU 535 -1.344 15.554 4.019 88 H ALA 536 H ALA 536 1.365 12.484 5.071 89 HA ALA 536 HA ALA 536 2.437 10.500 3.369 90 HB1 ALA 536 1HB ALA 536 3.709 11.419 5.931 91 HB2 ALA 536 2HB ALA 536 4.493 10.871 4.449 92 HB3 ALA 536 3HB ALA 536 3.663 12.426 4.483 93 H VAL 537 H VAL 537 1.213 10.426 6.660 94 HA VAL 537 HA VAL 537 2.210 7.985 7.527 95 HB VAL 537 HB VAL 537 -0.558 9.024 8.134 96 HG11 VAL 537 1HG1 VAL 537 1.319 7.137 9.531 97 HG12 VAL 537 2HG1 VAL 537 -0.029 7.918 10.359 98 HG13 VAL 537 3HG1 VAL 537 -0.336 6.843 8.994 99 HG21 VAL 537 3HG2 VAL 537 2.046 10.141 8.748 100 HG22 VAL 537 1HG2 VAL 537 0.440 10.835 8.969 101 HG23 VAL 537 2HG2 VAL 537 1.121 9.776 10.206 102 H ILE 538 H ILE 538 -0.182 8.660 5.138 103 HA ILE 538 HA ILE 538 -1.657 6.277 5.178 104 HB ILE 538 HB ILE 538 -0.971 7.919 2.739 105 HG12 ILE 538 1HG1 ILE 538 -3.354 8.209 4.576 106 HG13 ILE 538 2HG1 ILE 538 -1.929 9.240 4.649 107 HG21 ILE 538 1HG2 ILE 538 -1.952 5.969 1.950 108 HG22 ILE 538 2HG2 ILE 538 -3.032 5.834 3.337 109 HG23 ILE 538 3HG2 ILE 538 -3.326 7.063 2.108 110 HD11 ILE 538 3HD1 ILE 538 -2.495 9.574 2.089 111 HD12 ILE 538 1HD1 ILE 538 -4.112 9.150 2.651 112 HD13 ILE 538 2HD1 ILE 538 -3.269 10.531 3.353 113 H GLY 539 H GLY 539 1.035 7.144 2.989 114 HA2 GLY 539 1HA GLY 539 1.327 4.606 1.847 115 HA3 GLY 539 2HA GLY 539 2.577 5.839 1.905 116 H GLY 540 H GLY 540 2.939 6.033 4.669 117 HA2 GLY 540 1HA GLY 540 4.831 4.089 5.177 118 HA3 GLY 540 2HA GLY 540 4.029 5.030 6.426 119 H VAL 541 H VAL 541 1.480 4.152 6.383 120 HA VAL 541 HA VAL 541 1.723 1.570 7.608 121 HB VAL 541 HB VAL 541 -0.762 3.188 7.025 122 HG11 VAL 541 1HG1 VAL 541 -1.398 0.926 7.377 123 HG12 VAL 541 2HG1 VAL 541 -0.288 0.757 8.738 124 HG13 VAL 541 3HG1 VAL 541 -1.711 1.787 8.884 125 HG21 VAL 541 3HG2 VAL 541 1.074 3.081 9.405 126 HG22 VAL 541 1HG2 VAL 541 0.593 4.487 8.455 127 HG23 VAL 541 2HG2 VAL 541 -0.579 3.690 9.505 128 H ALA 542 H ALA 542 -0.158 2.802 4.839 129 HA ALA 542 HA ALA 542 -1.277 0.451 3.959 130 HB1 ALA 542 1HB ALA 542 -1.414 2.922 3.063 131 HB2 ALA 542 2HB ALA 542 -0.219 2.329 1.908 132 HB3 ALA 542 3HB ALA 542 -1.798 1.550 2.022 133 H VAL 543 H VAL 543 1.737 1.849 2.645 134 HA VAL 543 HA VAL 543 2.492 -0.334 1.104 135 HB VAL 543 HB VAL 543 4.270 1.675 2.494 136 HG11 VAL 543 1HG1 VAL 543 5.461 0.749 0.125 137 HG12 VAL 543 2HG1 VAL 543 5.999 0.476 1.785 138 HG13 VAL 543 3HG1 VAL 543 4.924 -0.684 1.003 139 HG21 VAL 543 3HG2 VAL 543 3.796 1.817 -0.408 140 HG22 VAL 543 1HG2 VAL 543 2.404 2.186 0.609 141 HG23 VAL 543 2HG2 VAL 543 3.898 3.105 0.791 142 H GLY 544 H GLY 544 3.452 0.460 4.442 143 HA2 GLY 544 1HA GLY 544 5.169 -1.648 4.934 144 HA3 GLY 544 2HA GLY 544 4.160 -0.892 6.159 145 H VAL 545 H VAL 545 1.649 -1.643 4.955 146 HA VAL 545 HA VAL 545 1.348 -4.208 6.136 147 HB VAL 545 HB VAL 545 -0.559 -2.669 4.368 148 HG11 VAL 545 1HG1 VAL 545 -2.168 -4.201 5.835 149 HG12 VAL 545 2HG1 VAL 545 -1.524 -4.724 4.278 150 HG13 VAL 545 3HG1 VAL 545 -0.766 -5.268 5.774 151 HG21 VAL 545 3HG2 VAL 545 0.343 -2.014 6.879 152 HG22 VAL 545 1HG2 VAL 545 -1.173 -1.475 6.157 153 HG23 VAL 545 2HG2 VAL 545 -1.152 -2.885 7.216 154 H VAL 546 H VAL 546 1.529 -3.065 2.799 155 HA VAL 546 HA VAL 546 0.846 -5.424 1.481 156 HB VAL 546 HB VAL 546 2.918 -3.454 0.517 157 HG11 VAL 546 1HG1 VAL 546 1.085 -5.399 -0.866 158 HG12 VAL 546 2HG1 VAL 546 1.920 -4.094 -1.711 159 HG13 VAL 546 3HG1 VAL 546 2.848 -5.356 -0.896 160 HG21 VAL 546 3HG2 VAL 546 0.418 -2.848 -0.607 161 HG22 VAL 546 1HG2 VAL 546 0.148 -3.022 1.127 162 HG23 VAL 546 2HG2 VAL 546 1.351 -1.878 0.533 163 H LEU 547 H LEU 547 4.103 -4.226 2.304 164 HA LEU 547 HA LEU 547 5.554 -6.408 1.383 165 HB2 LEU 547 1HB LEU 547 6.063 -4.445 3.598 166 HB3 LEU 547 2HB LEU 547 7.225 -5.706 3.184 167 HG LEU 547 HG LEU 547 6.253 -3.618 1.238 168 HD11 LEU 547 1HD1 LEU 547 8.100 -2.296 1.711 169 HD12 LEU 547 2HD1 LEU 547 8.938 -3.595 2.560 170 HD13 LEU 547 3HD1 LEU 547 7.554 -2.801 3.311 171 HD21 LEU 547 3HD2 LEU 547 7.493 -6.014 0.772 172 HD22 LEU 547 1HD2 LEU 547 8.852 -4.891 0.855 173 HD23 LEU 547 2HD2 LEU 547 7.544 -4.609 -0.295 174 H LEU 548 H LEU 548 4.218 -5.826 4.626 175 HA LEU 548 HA LEU 548 5.164 -8.134 5.864 176 HB2 LEU 548 1HB LEU 548 3.947 -6.096 6.851 177 HB3 LEU 548 2HB LEU 548 2.466 -6.966 6.457 178 HG LEU 548 HG LEU 548 3.166 -7.193 8.825 179 HD11 LEU 548 1HD1 LEU 548 3.471 -9.941 7.876 180 HD12 LEU 548 2HD1 LEU 548 2.117 -9.075 7.152 181 HD13 LEU 548 3HD1 LEU 548 2.232 -9.224 8.905 182 HD21 LEU 548 3HD2 LEU 548 5.307 -9.092 8.098 183 HD22 LEU 548 1HD2 LEU 548 5.167 -8.011 9.484 184 HD23 LEU 548 2HD2 LEU 548 5.683 -7.377 7.921 185 H LEU 549 H LEU 549 2.305 -7.617 3.873 186 HA LEU 549 HA LEU 549 1.040 -10.081 4.349 187 HB2 LEU 549 1HB LEU 549 0.180 -7.971 3.145 188 HB3 LEU 549 2HB LEU 549 0.940 -8.657 1.710 189 HG LEU 549 HG LEU 549 -1.187 -10.062 3.322 190 HD11 LEU 549 1HD1 LEU 549 -1.761 -7.828 2.079 191 HD12 LEU 549 2HD1 LEU 549 -2.824 -9.231 1.951 192 HD13 LEU 549 3HD1 LEU 549 -1.697 -8.856 0.646 193 HD21 LEU 549 3HD2 LEU 549 0.371 -10.679 0.869 194 HD22 LEU 549 1HD2 LEU 549 -1.320 -11.175 0.926 195 HD23 LEU 549 2HD2 LEU 549 -0.192 -11.749 2.154 196 H VAL 550 H VAL 550 3.528 -9.120 2.041 197 HA VAL 550 HA VAL 550 3.545 -11.452 0.478 198 HB VAL 550 HB VAL 550 5.836 -9.583 1.103 199 HG11 VAL 550 1HG1 VAL 550 6.845 -10.449 -0.957 200 HG12 VAL 550 2HG1 VAL 550 6.636 -11.720 0.249 201 HG13 VAL 550 3HG1 VAL 550 5.523 -11.605 -1.115 202 HG21 VAL 550 3HG2 VAL 550 4.885 -8.118 -0.271 203 HG22 VAL 550 1HG2 VAL 550 4.747 -9.338 -1.535 204 HG23 VAL 550 2HG2 VAL 550 3.460 -9.155 -0.343 205 H LEU 551 H LEU 551 5.699 -10.538 3.172 206 HA LEU 551 HA LEU 551 7.182 -12.853 3.341 207 HB2 LEU 551 1HB LEU 551 6.298 -10.857 5.384 208 HB3 LEU 551 2HB LEU 551 7.216 -12.278 5.875 209 HG LEU 551 HG LEU 551 8.689 -10.380 5.635 210 HD11 LEU 551 1HD1 LEU 551 9.261 -12.780 4.784 211 HD12 LEU 551 2HD1 LEU 551 10.362 -11.440 4.470 212 HD13 LEU 551 3HD1 LEU 551 9.275 -12.001 3.201 213 HD21 LEU 551 3HD2 LEU 551 9.005 -9.261 3.494 214 HD22 LEU 551 1HD2 LEU 551 7.342 -9.085 4.055 215 HD23 LEU 551 2HD2 LEU 551 7.725 -10.242 2.779 216 H ALA 552 H ALA 552 3.980 -12.188 4.655 217 HA ALA 552 HA ALA 552 3.714 -14.504 6.225 218 HB1 ALA 552 1HB ALA 552 1.174 -14.044 5.650 219 HB2 ALA 552 2HB ALA 552 2.085 -12.993 6.736 220 HB3 ALA 552 3HB ALA 552 1.839 -12.523 5.054 221 H GLY 553 H GLY 553 1.934 -13.928 3.193 222 HA2 GLY 553 1HA GLY 553 1.241 -16.558 2.699 223 HA3 GLY 553 2HA GLY 553 1.417 -15.333 1.451 224 H VAL 554 H VAL 554 3.953 -14.823 1.161 225 HA VAL 554 HA VAL 554 5.018 -17.090 -0.118 226 HB VAL 554 HB VAL 554 6.603 -14.673 0.745 227 HG11 VAL 554 1HG1 VAL 554 7.848 -15.173 -1.358 228 HG12 VAL 554 2HG1 VAL 554 7.991 -16.420 -0.117 229 HG13 VAL 554 3HG1 VAL 554 6.915 -16.664 -1.494 230 HG21 VAL 554 3HG2 VAL 554 5.853 -14.251 -1.872 231 HG22 VAL 554 1HG2 VAL 554 4.386 -14.886 -1.128 232 HG23 VAL 554 2HG2 VAL 554 5.166 -13.453 -0.457 233 H GLY 555 H GLY 555 5.041 -16.185 3.151 234 HA2 GLY 555 1HA GLY 555 7.547 -17.332 3.907 235 HA3 GLY 555 2HA GLY 555 6.231 -16.903 4.990 236 H PHE 556 H PHE 556 4.185 -18.477 4.146 237 HA PHE 556 HA PHE 556 5.155 -21.122 4.914 238 HB2 PHE 556 1HB PHE 556 3.351 -20.472 6.273 239 HB3 PHE 556 2HB PHE 556 2.449 -19.811 4.914 240 HD1 PHE 556 1HD PHE 556 3.559 -22.941 6.524 241 HD2 PHE 556 2HD PHE 556 0.967 -21.151 3.663 242 HE1 PHE 556 1HE PHE 556 2.325 -25.059 6.321 243 HE2 PHE 556 2HE PHE 556 -0.272 -23.266 3.456 244 HZ PHE 556 HZ PHE 556 0.406 -25.224 4.787 245 H PHE 557 H PHE 557 3.487 -19.478 2.299 246 HA PHE 557 HA PHE 557 2.674 -21.725 0.831 247 HB2 PHE 557 1HB PHE 557 1.869 -19.449 0.363 248 HB3 PHE 557 2HB PHE 557 3.477 -18.992 -0.193 249 HD1 PHE 557 1HD PHE 557 1.815 -22.207 -0.901 250 HD2 PHE 557 2HD PHE 557 2.939 -18.390 -2.410 251 HE1 PHE 557 1HE PHE 557 1.232 -22.938 -3.177 252 HE2 PHE 557 2HE PHE 557 2.358 -19.115 -4.687 253 HZ PHE 557 HZ PHE 557 1.501 -21.392 -5.074 254 H ILE 558 H ILE 558 5.784 -20.442 1.401 255 HA ILE 558 HA ILE 558 6.965 -21.644 -0.969 256 HB ILE 558 HB ILE 558 7.761 -19.445 -0.038 257 HG12 ILE 558 1HG1 ILE 558 10.115 -21.256 0.047 258 HG13 ILE 558 2HG1 ILE 558 9.106 -21.337 -1.393 259 HG21 ILE 558 1HG2 ILE 558 9.412 -20.878 1.955 260 HG22 ILE 558 2HG2 ILE 558 8.759 -19.241 1.987 261 HG23 ILE 558 3HG2 ILE 558 7.717 -20.613 2.364 262 HD11 ILE 558 3HD1 ILE 558 11.124 -19.735 -1.344 263 HD12 ILE 558 1HD1 ILE 558 9.595 -19.168 -2.012 264 HD13 ILE 558 2HD1 ILE 558 10.072 -18.702 -0.379 265 H HIS 559 H HIS 559 6.571 -22.294 2.428 266 HA HIS 559 HA HIS 559 8.285 -24.674 2.186 267 HB2 HIS 559 1HB HIS 559 7.441 -23.008 4.540 268 HB3 HIS 559 2HB HIS 559 8.021 -24.654 4.764 269 HD1 HIS 559 1HD HIS 559 10.193 -24.254 2.361 270 HD2 HIS 559 2HD HIS 559 9.729 -21.978 5.806 271 HE1 HIS 559 1HE HIS 559 12.424 -23.161 2.750 272 H ARG 560 H ARG 560 5.867 -24.892 0.957 273 HA ARG 560 HA ARG 560 4.012 -26.174 2.798 274 HB2 ARG 560 1HB ARG 560 3.844 -25.674 -0.180 275 HB3 ARG 560 2HB ARG 560 2.570 -26.406 0.786 276 HG2 ARG 560 1HG ARG 560 3.007 -24.121 2.170 277 HG3 ARG 560 2HG ARG 560 3.365 -23.597 0.523 278 HD2 ARG 560 1HD ARG 560 0.822 -24.816 1.571 279 HD3 ARG 560 2HD ARG 560 1.051 -23.207 0.888 280 HE ARG 560 HE ARG 560 1.750 -24.811 -1.155 281 HH11 ARG 560 1HH1 ARG 560 -1.028 -24.743 0.941 282 HH12 ARG 560 2HH1 ARG 560 -2.108 -25.386 -0.251 283 HH21 ARG 560 1HH2 ARG 560 0.339 -25.657 -2.735 284 HH22 ARG 560 2HH2 ARG 560 -1.327 -25.906 -2.342 285 H ARG 561 H ARG 561 6.438 -27.001 0.473 286 HA ARG 561 HA ARG 561 5.639 -29.828 0.583 287 HB2 ARG 561 1HB ARG 561 7.249 -28.232 -1.386 288 HB3 ARG 561 2HB ARG 561 7.416 -29.981 -1.306 289 HG2 ARG 561 1HG ARG 561 4.707 -29.683 -1.410 290 HG3 ARG 561 2HG ARG 561 5.267 -28.345 -2.415 291 HD2 ARG 561 1HD ARG 561 6.652 -29.940 -3.700 292 HD3 ARG 561 2HD ARG 561 5.991 -31.255 -2.731 293 HE ARG 561 HE ARG 561 3.836 -29.887 -3.815 294 HH11 ARG 561 1HH1 ARG 561 6.564 -31.728 -4.946 295 HH12 ARG 561 2HH1 ARG 561 5.759 -32.288 -6.376 296 HH21 ARG 561 1HH2 ARG 561 2.765 -30.615 -5.691 297 HH22 ARG 561 2HH2 ARG 561 3.600 -31.654 -6.799 298 H ARG 562 H ARG 562 8.046 -27.568 1.558 299 HA ARG 562 HA ARG 562 10.131 -27.807 2.500 300 HB2 ARG 562 1HB ARG 562 10.074 -29.077 4.549 301 HB3 ARG 562 2HB ARG 562 8.520 -28.284 4.329 302 HG2 ARG 562 1HG ARG 562 7.411 -30.252 3.947 303 HG3 ARG 562 2HG ARG 562 8.856 -31.076 3.356 304 HD2 ARG 562 1HD ARG 562 9.340 -31.848 5.388 305 HD3 ARG 562 2HD ARG 562 9.166 -30.248 6.106 306 HE ARG 562 HE ARG 562 6.606 -31.085 5.705 307 HH11 ARG 562 1HH1 ARG 562 9.379 -32.388 7.356 308 HH12 ARG 562 2HH1 ARG 562 8.440 -33.230 8.544 309 HH21 ARG 562 1HH2 ARG 562 5.358 -32.188 7.264 310 HH22 ARG 562 2HH2 ARG 562 6.153 -33.117 8.490 311 H LYS 563 H LYS 563 10.010 -29.187 0.062 312 HA LYS 563 HA LYS 563 10.998 -31.850 0.324 313 HB2 LYS 563 1HB LYS 563 11.341 -31.780 -2.052 314 HB3 LYS 563 2HB LYS 563 9.820 -30.972 -1.697 315 HG2 LYS 563 1HG LYS 563 11.595 -28.899 -1.638 316 HG3 LYS 563 2HG LYS 563 12.263 -29.931 -2.904 317 HD2 LYS 563 1HD LYS 563 10.231 -29.866 -4.141 318 HD3 LYS 563 2HD LYS 563 9.366 -29.110 -2.801 319 HE2 LYS 563 1HE LYS 563 10.486 -27.063 -3.097 320 HE3 LYS 563 2HE LYS 563 11.719 -27.792 -4.127 321 HZ1 LYS 563 3HZ LYS 563 10.304 -26.659 -5.575 322 HZ2 LYS 563 1HZ LYS 563 8.902 -27.188 -4.790 323 HZ3 LYS 563 2HZ LYS 563 9.816 -28.274 -5.710 324 H1 GLU 523 H GLU 523 -0.354 27.266 -1.701 325 HA GLU 523 HA GLU 523 -2.523 27.156 -3.153 326 HB2 GLU 523 1HB GLU 523 -1.089 29.665 -3.988 327 HB3 GLU 523 2HB GLU 523 -2.150 28.805 -5.097 328 HG2 GLU 523 1HG GLU 523 -3.737 30.134 -4.266 329 HG3 GLU 523 2HG GLU 523 -3.738 29.007 -2.910 330 H PHE 524 H PHE 524 -0.786 25.331 -2.936 331 HA PHE 524 HA PHE 524 1.240 25.254 -4.957 332 HB2 PHE 524 1HB PHE 524 0.883 23.904 -2.641 333 HB3 PHE 524 2HB PHE 524 0.293 22.706 -3.790 334 HD1 PHE 524 1HD PHE 524 3.186 24.992 -3.250 335 HD2 PHE 524 2HD PHE 524 1.798 21.261 -4.759 336 HE1 PHE 524 1HE PHE 524 5.505 24.334 -3.746 337 HE2 PHE 524 2HE PHE 524 4.113 20.596 -5.255 338 HZ PHE 524 HZ PHE 524 5.972 22.132 -4.748 339 H GLN 525 H GLN 525 1.181 24.390 -6.961 340 HA GLN 525 HA GLN 525 -0.712 22.513 -7.871 341 HB2 GLN 525 1HB GLN 525 -1.846 24.126 -9.519 342 HB3 GLN 525 2HB GLN 525 -2.397 24.139 -7.850 343 HG2 GLN 525 1HG GLN 525 -2.222 26.392 -8.630 344 HG3 GLN 525 2HG GLN 525 -0.962 26.104 -7.431 345 HE21 GLN 525 2HE2 GLN 525 -1.413 25.767 -10.937 346 HE22 GLN 525 1HE2 GLN 525 0.113 26.451 -11.371 347 H THR 526 H THR 526 -0.586 22.197 -10.256 348 HA THR 526 HA THR 526 1.666 23.434 -11.600 349 HB THR 526 HB THR 526 2.538 21.063 -12.193 350 HG1 THR 526 1HG THR 526 1.239 20.552 -9.704 351 HG21 THR 526 3HG2 THR 526 3.116 21.796 -9.357 352 HG22 THR 526 1HG2 THR 526 3.535 22.926 -10.643 353 HG23 THR 526 2HG2 THR 526 4.224 21.302 -10.635 354 H LEU 527 H LEU 527 -0.610 23.957 -12.571 355 HA LEU 527 HA LEU 527 -2.050 23.795 -14.325 356 HB2 LEU 527 1HB LEU 527 0.226 22.138 -15.403 357 HB3 LEU 527 2HB LEU 527 -1.158 22.663 -16.362 358 HG LEU 527 HG LEU 527 0.341 24.799 -14.982 359 HD11 LEU 527 1HD1 LEU 527 1.561 23.867 -17.508 360 HD12 LEU 527 2HD1 LEU 527 1.942 22.954 -16.051 361 HD13 LEU 527 3HD1 LEU 527 2.291 24.680 -16.125 362 HD21 LEU 527 3HD2 LEU 527 -0.474 26.078 -16.656 363 HD22 LEU 527 1HD2 LEU 527 -1.629 24.753 -16.809 364 HD23 LEU 527 2HD2 LEU 527 -0.229 24.829 -17.878 365 H SER 528 H SER 528 -2.660 22.088 -12.261 366 HA SER 528 HA SER 528 -3.757 19.773 -13.712 367 HB2 SER 528 1HB SER 528 -3.291 18.298 -11.937 368 HB3 SER 528 2HB SER 528 -1.820 19.261 -12.085 369 HG SER 528 HG SER 528 -3.609 19.103 -10.022 370 HA PRO 529 HA PRO 529 -7.693 20.954 -12.176 371 HB2 PRO 529 1HB PRO 529 -8.901 18.539 -11.897 372 HB3 PRO 529 2HB PRO 529 -8.572 19.272 -13.470 373 HG2 PRO 529 1HG PRO 529 -7.034 17.162 -12.006 374 HG3 PRO 529 2HG PRO 529 -7.456 17.249 -13.726 375 HD2 PRO 529 1HD PRO 529 -5.006 17.922 -12.793 376 HD3 PRO 529 2HD PRO 529 -5.740 18.710 -14.205 377 H GLU 530 H GLU 530 -5.623 18.924 -10.321 378 HA GLU 530 HA GLU 530 -7.072 19.696 -7.886 379 HB2 GLU 530 1HB GLU 530 -6.011 16.945 -8.540 380 HB3 GLU 530 2HB GLU 530 -6.490 17.445 -6.925 381 HG2 GLU 530 1HG GLU 530 -8.514 17.931 -8.977 382 HG3 GLU 530 2HG GLU 530 -8.110 16.232 -8.739 383 H GLY 531 H GLY 531 -5.689 21.122 -7.015 384 HA2 GLY 531 1HA GLY 531 -2.828 20.414 -6.938 385 HA3 GLY 531 2HA GLY 531 -3.466 22.048 -6.816 386 H SER 532 H SER 532 -5.141 19.624 -5.062 387 HA SER 532 HA SER 532 -3.650 20.177 -2.608 388 HB2 SER 532 1HB SER 532 -6.539 20.858 -3.093 389 HB3 SER 532 2HB SER 532 -5.957 20.501 -1.469 390 HG SER 532 HG SER 532 -4.946 22.354 -1.420 391 H GLY 533 H GLY 533 -3.184 17.868 -3.439 392 HA2 GLY 533 1HA GLY 533 -4.092 16.001 -1.665 393 HA3 GLY 533 2HA GLY 533 -5.232 15.901 -2.997 394 H ASN 534 H ASN 534 -1.721 16.449 -2.986 395 HA ASN 534 HA ASN 534 -1.393 14.497 -5.086 396 HB2 ASN 534 1HB ASN 534 0.474 16.365 -3.644 397 HB3 ASN 534 2HB ASN 534 1.090 15.123 -4.728 398 HD21 ASN 534 2HD2 ASN 534 -0.518 18.147 -4.466 399 HD22 ASN 534 1HD2 ASN 534 -0.594 18.501 -6.156 400 H LEU 535 H LEU 535 -1.033 14.630 -1.647 401 HA LEU 535 HA LEU 535 0.620 12.267 -1.485 402 HB2 LEU 535 1HB LEU 535 -0.815 13.881 0.614 403 HB3 LEU 535 2HB LEU 535 0.204 12.487 0.967 404 HG LEU 535 HG LEU 535 1.536 14.369 1.411 405 HD11 LEU 535 1HD1 LEU 535 3.326 14.226 -0.207 406 HD12 LEU 535 2HD1 LEU 535 2.235 13.510 -1.393 407 HD13 LEU 535 3HD1 LEU 535 2.646 12.623 0.074 408 HD21 LEU 535 3HD2 LEU 535 0.959 15.533 -1.297 409 HD22 LEU 535 1HD2 LEU 535 1.693 16.311 0.106 410 HD23 LEU 535 2HD2 LEU 535 -0.027 15.915 0.115 411 H ALA 536 H ALA 536 -2.726 12.992 -1.645 412 HA ALA 536 HA ALA 536 -3.795 10.780 -0.269 413 HB1 ALA 536 1HB ALA 536 -5.858 11.342 -1.222 414 HB2 ALA 536 2HB ALA 536 -4.999 12.876 -1.093 415 HB3 ALA 536 3HB ALA 536 -5.105 12.055 -2.648 416 H VAL 537 H VAL 537 -2.623 11.188 -3.555 417 HA VAL 537 HA VAL 537 -3.655 8.917 -4.764 418 HB VAL 537 HB VAL 537 -0.879 10.004 -5.235 419 HG11 VAL 537 1HG1 VAL 537 -2.782 8.358 -6.879 420 HG12 VAL 537 2HG1 VAL 537 -1.430 9.239 -7.593 421 HG13 VAL 537 3HG1 VAL 537 -1.129 7.973 -6.403 422 HG21 VAL 537 3HG2 VAL 537 -3.544 11.119 -5.843 423 HG22 VAL 537 1HG2 VAL 537 -1.995 11.932 -5.614 424 HG23 VAL 537 2HG2 VAL 537 -2.367 11.160 -7.156 425 H ILE 538 H ILE 538 -1.199 9.200 -2.351 426 HA ILE 538 HA ILE 538 0.224 6.828 -2.758 427 HB ILE 538 HB ILE 538 -0.406 8.108 -0.096 428 HG12 ILE 538 1HG1 ILE 538 1.983 8.596 -1.882 429 HG13 ILE 538 2HG1 ILE 538 0.580 9.656 -1.822 430 HG21 ILE 538 1HG2 ILE 538 0.535 6.063 0.424 431 HG22 ILE 538 2HG2 ILE 538 1.570 6.060 -1.003 432 HG23 ILE 538 3HG2 ILE 538 1.951 7.114 0.357 433 HD11 ILE 538 3HD1 ILE 538 1.925 10.739 -0.360 434 HD12 ILE 538 1HD1 ILE 538 1.140 9.628 0.763 435 HD13 ILE 538 2HD1 ILE 538 2.753 9.266 0.144 436 H GLY 539 H GLY 539 -2.433 7.398 -0.435 437 HA2 GLY 539 1HA GLY 539 -2.751 4.721 0.323 438 HA3 GLY 539 2HA GLY 539 -3.981 5.967 0.469 439 H GLY 540 H GLY 540 -4.349 6.573 -2.245 440 HA2 GLY 540 1HA GLY 540 -6.290 4.762 -3.008 441 HA3 GLY 540 2HA GLY 540 -5.479 5.862 -4.114 442 H VAL 541 H VAL 541 -2.951 4.945 -4.241 443 HA VAL 541 HA VAL 541 -3.257 2.569 -5.820 444 HB VAL 541 HB VAL 541 -0.729 4.034 -5.049 445 HG11 VAL 541 1HG1 VAL 541 -1.263 1.633 -6.632 446 HG12 VAL 541 2HG1 VAL 541 -0.278 2.839 -7.464 447 HG13 VAL 541 3HG1 VAL 541 0.238 2.202 -5.902 448 HG21 VAL 541 3HG2 VAL 541 -2.710 4.415 -7.254 449 HG22 VAL 541 1HG2 VAL 541 -1.908 5.619 -6.244 450 HG23 VAL 541 2HG2 VAL 541 -1.011 4.801 -7.523 451 H ALA 542 H ALA 542 -1.327 3.364 -2.927 452 HA ALA 542 HA ALA 542 -0.227 0.899 -2.411 453 HB1 ALA 542 1HB ALA 542 0.305 1.687 -0.324 454 HB2 ALA 542 2HB ALA 542 -0.031 3.200 -1.167 455 HB3 ALA 542 3HB ALA 542 -1.251 2.490 -0.109 456 H VAL 543 H VAL 543 -3.226 2.119 -0.901 457 HA VAL 543 HA VAL 543 -3.989 -0.255 0.326 458 HB VAL 543 HB VAL 543 -5.755 1.945 -0.755 459 HG11 VAL 543 1HG1 VAL 543 -6.426 -0.598 0.386 460 HG12 VAL 543 2HG1 VAL 543 -6.947 0.699 1.463 461 HG13 VAL 543 3HG1 VAL 543 -7.492 0.671 -0.215 462 HG21 VAL 543 3HG2 VAL 543 -3.876 2.094 1.228 463 HG22 VAL 543 1HG2 VAL 543 -5.293 3.135 1.086 464 HG23 VAL 543 2HG2 VAL 543 -5.343 1.716 2.131 465 H GLY 544 H GLY 544 -4.951 1.011 -2.862 466 HA2 GLY 544 1HA GLY 544 -6.689 -0.999 -3.635 467 HA3 GLY 544 2HA GLY 544 -5.688 -0.076 -4.748 468 H VAL 545 H VAL 545 -3.167 -0.990 -3.712 469 HA VAL 545 HA VAL 545 -2.884 -3.358 -5.248 470 HB VAL 545 HB VAL 545 -0.957 -2.102 -3.289 471 HG11 VAL 545 1HG1 VAL 545 0.671 -3.386 -4.904 472 HG12 VAL 545 2HG1 VAL 545 -0.070 -4.204 -3.526 473 HG13 VAL 545 3HG1 VAL 545 -0.735 -4.421 -5.146 474 HG21 VAL 545 3HG2 VAL 545 -1.868 -1.202 -5.790 475 HG22 VAL 545 1HG2 VAL 545 -0.514 -0.581 -4.846 476 HG23 VAL 545 2HG2 VAL 545 -0.245 -1.837 -6.054 477 H VAL 546 H VAL 546 -3.061 -2.717 -1.781 478 HA VAL 546 HA VAL 546 -2.367 -5.250 -0.830 479 HB VAL 546 HB VAL 546 -4.419 -3.437 0.438 480 HG11 VAL 546 1HG1 VAL 546 -3.390 -4.396 2.533 481 HG12 VAL 546 2HG1 VAL 546 -4.329 -5.525 1.556 482 HG13 VAL 546 3HG1 VAL 546 -2.567 -5.560 1.496 483 HG21 VAL 546 3HG2 VAL 546 -2.846 -1.874 0.612 484 HG22 VAL 546 1HG2 VAL 546 -1.915 -2.991 1.609 485 HG23 VAL 546 2HG2 VAL 546 -1.647 -2.930 -0.132 486 H LEU 547 H LEU 547 -5.616 -3.922 -1.466 487 HA LEU 547 HA LEU 547 -7.084 -6.199 -0.848 488 HB2 LEU 547 1HB LEU 547 -7.619 -4.019 -2.854 489 HB3 LEU 547 2HB LEU 547 -8.798 -5.253 -2.419 490 HG LEU 547 HG LEU 547 -7.628 -3.602 -0.238 491 HD11 LEU 547 1HD1 LEU 547 -9.447 -1.921 -0.639 492 HD12 LEU 547 2HD1 LEU 547 -9.648 -2.623 -2.245 493 HD13 LEU 547 3HD1 LEU 547 -8.115 -1.875 -1.794 494 HD21 LEU 547 3HD2 LEU 547 -9.128 -4.927 0.773 495 HD22 LEU 547 1HD2 LEU 547 -9.965 -5.295 -0.735 496 HD23 LEU 547 2HD2 LEU 547 -10.322 -3.800 0.127 497 H LEU 548 H LEU 548 -5.714 -5.196 -3.967 498 HA LEU 548 HA LEU 548 -6.693 -7.312 -5.509 499 HB2 LEU 548 1HB LEU 548 -5.487 -5.154 -6.220 500 HB3 LEU 548 2HB LEU 548 -4.002 -6.067 -5.960 501 HG LEU 548 HG LEU 548 -4.726 -5.972 -8.331 502 HD11 LEU 548 1HD1 LEU 548 -3.660 -8.063 -6.933 503 HD12 LEU 548 2HD1 LEU 548 -3.773 -7.962 -8.689 504 HD13 LEU 548 3HD1 LEU 548 -5.009 -8.826 -7.775 505 HD21 LEU 548 3HD2 LEU 548 -6.882 -7.936 -7.749 506 HD22 LEU 548 1HD2 LEU 548 -6.708 -6.810 -9.095 507 HD23 LEU 548 2HD2 LEU 548 -7.225 -6.222 -7.514 508 H LEU 549 H LEU 549 -3.825 -7.065 -3.481 509 HA LEU 549 HA LEU 549 -2.546 -9.425 -4.295 510 HB2 LEU 549 1HB LEU 549 -1.705 -7.510 -2.795 511 HB3 LEU 549 2HB LEU 549 -2.471 -8.398 -1.479 512 HG LEU 549 HG LEU 549 -0.322 -9.543 -3.259 513 HD11 LEU 549 1HD1 LEU 549 0.215 -7.514 -1.679 514 HD12 LEU 549 2HD1 LEU 549 1.294 -8.905 -1.772 515 HD13 LEU 549 3HD1 LEU 549 0.161 -8.755 -0.429 516 HD21 LEU 549 3HD2 LEU 549 -1.336 -11.384 -2.362 517 HD22 LEU 549 1HD2 LEU 549 -1.888 -10.520 -0.927 518 HD23 LEU 549 2HD2 LEU 549 -0.200 -11.009 -1.066 519 H VAL 550 H VAL 550 -5.017 -8.829 -1.843 520 HA VAL 550 HA VAL 550 -5.029 -11.385 -0.677 521 HB VAL 550 HB VAL 550 -7.318 -9.431 -0.950 522 HG11 VAL 550 1HG1 VAL 550 -8.297 -10.606 0.957 523 HG12 VAL 550 2HG1 VAL 550 -8.097 -11.686 -0.424 524 HG13 VAL 550 3HG1 VAL 550 -6.969 -11.765 0.929 525 HG21 VAL 550 3HG2 VAL 550 -4.957 -9.561 0.792 526 HG22 VAL 550 1HG2 VAL 550 -5.973 -8.187 0.354 527 HG23 VAL 550 2HG2 VAL 550 -6.485 -9.292 1.630 528 H LEU 551 H LEU 551 -7.325 -10.038 -3.057 529 HA LEU 551 HA LEU 551 -8.758 -12.326 -3.595 530 HB2 LEU 551 1HB LEU 551 -8.038 -9.948 -5.258 531 HB3 LEU 551 2HB LEU 551 -8.946 -11.281 -5.967 532 HG LEU 551 HG LEU 551 -10.449 -9.513 -5.291 533 HD11 LEU 551 1HD1 LEU 551 -10.842 -12.099 -4.828 534 HD12 LEU 551 2HD1 LEU 551 -12.030 -10.871 -4.390 535 HD13 LEU 551 3HD1 LEU 551 -10.939 -11.519 -3.165 536 HD21 LEU 551 3HD2 LEU 551 -9.055 -8.504 -3.553 537 HD22 LEU 551 1HD2 LEU 551 -9.334 -9.902 -2.516 538 HD23 LEU 551 2HD2 LEU 551 -10.679 -8.851 -2.955 539 H ALA 552 H ALA 552 -5.620 -11.358 -4.844 540 HA ALA 552 HA ALA 552 -5.377 -13.259 -6.895 541 HB1 ALA 552 1HB ALA 552 -3.619 -11.420 -5.480 542 HB2 ALA 552 2HB ALA 552 -2.806 -12.899 -5.993 543 HB3 ALA 552 3HB ALA 552 -3.636 -11.892 -7.180 544 H GLY 553 H GLY 553 -3.477 -13.403 -3.890 545 HA2 GLY 553 1HA GLY 553 -2.863 -16.100 -4.029 546 HA3 GLY 553 2HA GLY 553 -2.911 -15.171 -2.538 547 H VAL 554 H VAL 554 -5.375 -14.674 -1.932 548 HA VAL 554 HA VAL 554 -6.466 -17.060 -1.028 549 HB VAL 554 HB VAL 554 -8.024 -14.523 -1.530 550 HG11 VAL 554 1HG1 VAL 554 -9.373 -15.297 0.376 551 HG12 VAL 554 2HG1 VAL 554 -9.416 -16.433 -0.974 552 HG13 VAL 554 3HG1 VAL 554 -8.416 -16.776 0.439 553 HG21 VAL 554 3HG2 VAL 554 -6.702 -13.513 -0.055 554 HG22 VAL 554 1HG2 VAL 554 -7.239 -14.673 1.160 555 HG23 VAL 554 2HG2 VAL 554 -5.790 -15.001 0.211 556 H GLY 555 H GLY 555 -6.880 -15.426 -4.071 557 HA2 GLY 555 1HA GLY 555 -9.253 -16.841 -4.847 558 HA3 GLY 555 2HA GLY 555 -8.232 -15.866 -5.892 559 H PHE 556 H PHE 556 -5.859 -17.503 -4.977 560 HA PHE 556 HA PHE 556 -6.210 -19.614 -6.956 561 HB2 PHE 556 1HB PHE 556 -4.225 -18.374 -7.303 562 HB3 PHE 556 2HB PHE 556 -3.799 -18.426 -5.594 563 HD1 PHE 556 1HD PHE 556 -2.815 -20.417 -4.615 564 HD2 PHE 556 2HD PHE 556 -3.774 -20.236 -8.758 565 HE1 PHE 556 1HE PHE 556 -1.420 -22.403 -5.022 566 HE2 PHE 556 2HE PHE 556 -2.383 -22.222 -9.171 567 HZ PHE 556 HZ PHE 556 -1.204 -23.308 -7.302 568 H PHE 557 H PHE 557 -5.974 -19.183 -3.545 569 HA PHE 557 HA PHE 557 -5.177 -21.867 -2.928 570 HB2 PHE 557 1HB PHE 557 -6.275 -19.596 -1.275 571 HB3 PHE 557 2HB PHE 557 -5.955 -21.185 -0.587 572 HD1 PHE 557 2HD PHE 557 -3.467 -21.946 -1.915 573 HD2 PHE 557 1HD PHE 557 -4.698 -18.185 -0.351 574 HE1 PHE 557 2HE PHE 557 -1.112 -21.323 -1.573 575 HE2 PHE 557 1HE PHE 557 -2.344 -17.554 -0.007 576 HZ PHE 557 HZ PHE 557 -0.547 -19.125 -0.617 577 H ILE 558 H ILE 558 -7.961 -20.654 -4.184 578 HA ILE 558 HA ILE 558 -9.789 -22.365 -2.699 579 HB ILE 558 HB ILE 558 -10.422 -20.041 -3.469 580 HG12 ILE 558 1HG1 ILE 558 -12.293 -22.086 -4.628 581 HG13 ILE 558 2HG1 ILE 558 -11.987 -22.036 -2.895 582 HG21 ILE 558 1HG2 ILE 558 -11.116 -21.104 -6.133 583 HG22 ILE 558 2HG2 ILE 558 -10.622 -19.482 -5.649 584 HG23 ILE 558 3HG2 ILE 558 -9.412 -20.749 -5.850 585 HD11 ILE 558 3HD1 ILE 558 -13.969 -20.699 -4.082 586 HD12 ILE 558 1HD1 ILE 558 -13.173 -20.143 -2.608 587 HD13 ILE 558 2HD1 ILE 558 -12.701 -19.477 -4.171 588 H HIS 559 H HIS 559 -7.875 -22.463 -5.526 589 HA HIS 559 HA HIS 559 -9.112 -25.014 -6.269 590 HB2 HIS 559 1HB HIS 559 -8.821 -24.417 -8.684 591 HB3 HIS 559 2HB HIS 559 -10.044 -23.460 -7.851 592 HD1 HIS 559 1HD HIS 559 -9.850 -21.003 -8.121 593 HD2 HIS 559 2HD HIS 559 -6.265 -22.942 -8.923 594 HE1 HIS 559 1HE HIS 559 -8.286 -19.212 -8.940 595 H ARG 560 H ARG 560 -6.496 -23.670 -5.099 596 HA ARG 560 HA ARG 560 -4.326 -24.236 -6.702 597 HB2 ARG 560 1HB ARG 560 -3.045 -24.534 -4.597 598 HB3 ARG 560 2HB ARG 560 -4.064 -23.101 -4.585 599 HG2 ARG 560 1HG ARG 560 -4.835 -23.798 -2.627 600 HG3 ARG 560 2HG ARG 560 -5.667 -25.084 -3.502 601 HD2 ARG 560 1HD ARG 560 -3.339 -26.280 -3.321 602 HD3 ARG 560 2HD ARG 560 -3.110 -25.170 -1.971 603 HE ARG 560 HE ARG 560 -4.852 -27.455 -2.063 604 HH11 ARG 560 1HH1 ARG 560 -4.248 -24.372 -0.560 605 HH12 ARG 560 2HH1 ARG 560 -5.112 -24.762 0.891 606 HH21 ARG 560 1HH2 ARG 560 -5.993 -27.980 -0.160 607 HH22 ARG 560 2HH2 ARG 560 -6.104 -26.815 1.118 608 H ARG 561 H ARG 561 -4.191 -26.063 -7.869 609 HA ARG 561 HA ARG 561 -3.715 -28.252 -8.312 610 HB2 ARG 561 1HB ARG 561 -3.897 -28.885 -5.377 611 HB3 ARG 561 2HB ARG 561 -2.949 -29.695 -6.618 612 HG2 ARG 561 1HG ARG 561 -1.917 -27.178 -6.697 613 HG3 ARG 561 2HG ARG 561 -2.309 -27.358 -4.986 614 HD2 ARG 561 1HD ARG 561 -0.838 -29.104 -4.695 615 HD3 ARG 561 2HD ARG 561 -0.898 -29.576 -6.391 616 HE ARG 561 HE ARG 561 0.941 -27.774 -5.194 617 HH11 ARG 561 1HH1 ARG 561 -0.858 -28.356 -8.119 618 HH12 ARG 561 2HH1 ARG 561 0.277 -27.531 -9.136 619 HH21 ARG 561 1HH2 ARG 561 2.442 -26.686 -6.523 620 HH22 ARG 561 2HH2 ARG 561 2.154 -26.584 -8.227 621 H ARG 562 H ARG 562 -5.887 -28.261 -5.477 622 HA ARG 562 HA ARG 562 -8.236 -28.852 -6.822 623 HB2 ARG 562 1HB ARG 562 -8.384 -31.335 -6.159 624 HB3 ARG 562 2HB ARG 562 -7.458 -30.918 -7.594 625 HG2 ARG 562 1HG ARG 562 -6.203 -32.527 -6.401 626 HG3 ARG 562 2HG ARG 562 -5.401 -30.974 -6.159 627 HD2 ARG 562 1HD ARG 562 -5.835 -30.952 -3.950 628 HD3 ARG 562 2HD ARG 562 -7.446 -31.636 -4.160 629 HE ARG 562 HE ARG 562 -5.488 -33.606 -4.666 630 HH11 ARG 562 1HH1 ARG 562 -6.925 -31.806 -2.056 631 HH12 ARG 562 2HH1 ARG 562 -6.634 -33.037 -0.873 632 HH21 ARG 562 1HH2 ARG 562 -5.099 -35.235 -3.118 633 HH22 ARG 562 2HH2 ARG 562 -5.593 -34.986 -1.478 634 H LYS 563 H LYS 563 -9.995 -29.393 -5.400 635 HA LYS 563 HA LYS 563 -9.613 -28.342 -2.760 636 HB2 LYS 563 1HB LYS 563 -12.012 -29.491 -4.187 637 HB3 LYS 563 2HB LYS 563 -12.079 -28.904 -2.530 638 HG2 LYS 563 1HG LYS 563 -10.882 -26.845 -3.972 639 HG3 LYS 563 2HG LYS 563 -12.185 -27.437 -5.006 640 HD2 LYS 563 1HD LYS 563 -13.510 -27.366 -2.698 641 HD3 LYS 563 2HD LYS 563 -12.308 -26.121 -2.348 642 HE2 LYS 563 1HE LYS 563 -13.753 -24.746 -3.377 643 HE3 LYS 563 2HE LYS 563 -13.084 -25.427 -4.859 644 HZ1 LYS 563 3HZ LYS 563 -15.486 -25.488 -4.902 645 HZ2 LYS 563 1HZ LYS 563 -15.529 -26.366 -3.456 646 HZ3 LYS 563 2HZ LYS 563 -14.877 -27.065 -4.851 Start of MODEL 14 1 H1 GLU 523 H GLU 523 7.660 -10.422 -7.890 2 HA GLU 523 HA GLU 523 6.613 -8.391 -8.093 3 HB2 GLU 523 1HB GLU 523 5.051 -9.425 -5.733 4 HB3 GLU 523 2HB GLU 523 4.831 -7.797 -6.357 5 HG2 GLU 523 1HG GLU 523 4.447 -10.333 -7.931 6 HG3 GLU 523 2HG GLU 523 3.159 -9.363 -7.217 7 H PHE 524 H PHE 524 9.081 -8.858 -6.718 8 HA PHE 524 HA PHE 524 9.078 -7.012 -4.468 9 HB2 PHE 524 1HB PHE 524 10.515 -9.273 -4.942 10 HB3 PHE 524 2HB PHE 524 11.657 -8.040 -5.470 11 HD1 PHE 524 2HD PHE 524 9.389 -8.809 -2.613 12 HD2 PHE 524 1HD PHE 524 13.067 -7.105 -3.915 13 HE1 PHE 524 2HE PHE 524 10.026 -8.402 -0.272 14 HE2 PHE 524 1HE PHE 524 13.710 -6.697 -1.576 15 HZ PHE 524 HZ PHE 524 12.187 -7.344 0.249 16 H GLN 525 H GLN 525 9.318 -4.909 -4.776 17 HA GLN 525 HA GLN 525 11.049 -3.987 -6.967 18 HB2 GLN 525 1HB GLN 525 8.437 -2.694 -6.168 19 HB3 GLN 525 2HB GLN 525 9.511 -2.172 -7.458 20 HG2 GLN 525 1HG GLN 525 8.136 -4.846 -7.404 21 HG3 GLN 525 2HG GLN 525 7.487 -3.417 -8.208 22 HE21 GLN 525 2HE2 GLN 525 9.425 -2.306 -9.530 23 HE22 GLN 525 1HE2 GLN 525 10.184 -3.388 -10.642 24 H THR 526 H THR 526 11.056 -1.333 -6.570 25 HA THR 526 HA THR 526 11.625 -0.844 -3.742 26 HB THR 526 HB THR 526 13.793 0.223 -4.291 27 HG1 THR 526 1HG THR 526 14.002 0.635 -6.367 28 HG21 THR 526 3HG2 THR 526 13.622 -2.673 -5.131 29 HG22 THR 526 1HG2 THR 526 13.721 -2.094 -3.470 30 HG23 THR 526 2HG2 THR 526 15.071 -1.836 -4.575 31 H LEU 527 H LEU 527 10.597 0.950 -3.185 32 HA LEU 527 HA LEU 527 10.258 3.067 -5.205 33 HB2 LEU 527 1HB LEU 527 8.272 3.748 -3.811 34 HB3 LEU 527 2HB LEU 527 8.117 2.232 -4.697 35 HG LEU 527 HG LEU 527 9.013 2.095 -1.865 36 HD11 LEU 527 1HD1 LEU 527 6.788 3.610 -2.475 37 HD12 LEU 527 2HD1 LEU 527 7.139 2.843 -0.927 38 HD13 LEU 527 3HD1 LEU 527 6.122 2.018 -2.109 39 HD21 LEU 527 3HD2 LEU 527 8.323 -0.044 -2.014 40 HD22 LEU 527 1HD2 LEU 527 8.468 0.239 -3.748 41 HD23 LEU 527 2HD2 LEU 527 6.894 0.368 -2.963 42 H SER 528 H SER 528 10.112 5.281 -4.327 43 HA SER 528 HA SER 528 12.106 5.639 -2.213 44 HB2 SER 528 1HB SER 528 12.142 8.018 -3.040 45 HB3 SER 528 2HB SER 528 12.635 6.821 -4.236 46 HG SER 528 HG SER 528 10.284 8.344 -4.097 47 HA PRO 529 HA PRO 529 9.263 7.123 0.780 48 HB2 PRO 529 1HB PRO 529 10.729 9.043 2.017 49 HB3 PRO 529 2HB PRO 529 11.047 7.317 2.214 50 HG2 PRO 529 1HG PRO 529 12.420 9.306 0.448 51 HG3 PRO 529 2HG PRO 529 13.127 8.028 1.453 52 HD2 PRO 529 1HD PRO 529 12.784 7.758 -1.219 53 HD3 PRO 529 2HD PRO 529 12.675 6.384 -0.100 54 H GLU 530 H GLU 530 7.705 8.665 1.078 55 HA GLU 530 HA GLU 530 8.006 11.308 -0.076 56 HB2 GLU 530 1HB GLU 530 5.763 11.015 -1.283 57 HB3 GLU 530 2HB GLU 530 7.187 10.302 -2.028 58 HG2 GLU 530 1HG GLU 530 6.577 8.120 -1.255 59 HG3 GLU 530 2HG GLU 530 5.243 8.781 -0.312 60 H GLY 531 H GLY 531 7.568 12.411 1.744 61 HA2 GLY 531 1HA GLY 531 4.905 12.029 2.925 62 HA3 GLY 531 2HA GLY 531 6.309 12.012 3.981 63 H SER 532 H SER 532 3.875 13.871 3.398 64 HA SER 532 HA SER 532 5.431 16.369 3.253 65 HB2 SER 532 1HB SER 532 2.564 15.820 2.463 66 HB3 SER 532 2HB SER 532 3.271 17.434 2.536 67 HG SER 532 HG SER 532 3.483 16.738 0.450 68 H GLY 533 H GLY 533 2.651 14.803 4.810 69 HA2 GLY 533 1HA GLY 533 3.280 16.128 7.302 70 HA3 GLY 533 2HA GLY 533 1.770 16.651 6.572 71 H ASN 534 H ASN 534 0.025 15.628 7.267 72 HA ASN 534 HA ASN 534 0.279 13.206 8.813 73 HB2 ASN 534 1HB ASN 534 -2.006 15.039 8.129 74 HB3 ASN 534 2HB ASN 534 -2.297 13.480 8.896 75 HD21 ASN 534 2HD2 ASN 534 -1.443 16.712 9.354 76 HD22 ASN 534 1HD2 ASN 534 -1.056 16.628 11.036 77 H LEU 535 H LEU 535 -0.519 14.064 5.574 78 HA LEU 535 HA LEU 535 -2.031 11.738 4.923 79 HB2 LEU 535 1HB LEU 535 -0.560 13.742 3.230 80 HB3 LEU 535 2HB LEU 535 -1.506 12.416 2.559 81 HG LEU 535 HG LEU 535 -2.873 14.335 2.435 82 HD11 LEU 535 1HD1 LEU 535 -4.747 13.783 3.863 83 HD12 LEU 535 2HD1 LEU 535 -3.698 12.839 4.919 84 HD13 LEU 535 3HD1 LEU 535 -3.991 12.307 3.263 85 HD21 LEU 535 3HD2 LEU 535 -2.630 14.902 5.360 86 HD22 LEU 535 1HD2 LEU 535 -3.112 15.974 4.045 87 HD23 LEU 535 2HD2 LEU 535 -1.418 15.520 4.237 88 H ALA 536 H ALA 536 1.308 12.375 5.318 89 HA ALA 536 HA ALA 536 2.391 10.442 3.565 90 HB1 ALA 536 1HB ALA 536 3.578 12.361 4.787 91 HB2 ALA 536 2HB ALA 536 3.688 11.242 6.146 92 HB3 ALA 536 3HB ALA 536 4.441 10.835 4.605 93 H VAL 537 H VAL 537 1.163 10.275 6.851 94 HA VAL 537 HA VAL 537 2.171 7.816 7.653 95 HB VAL 537 HB VAL 537 -0.603 8.826 8.284 96 HG11 VAL 537 1HG1 VAL 537 -0.379 6.625 9.086 97 HG12 VAL 537 2HG1 VAL 537 1.277 6.907 9.630 98 HG13 VAL 537 3HG1 VAL 537 -0.072 7.663 10.479 99 HG21 VAL 537 3HG2 VAL 537 0.699 9.731 10.357 100 HG22 VAL 537 1HG2 VAL 537 2.082 9.688 9.264 101 HG23 VAL 537 2HG2 VAL 537 0.670 10.662 8.861 102 H ILE 538 H ILE 538 -0.226 8.542 5.282 103 HA ILE 538 HA ILE 538 -1.687 6.154 5.256 104 HB ILE 538 HB ILE 538 -1.003 7.861 2.861 105 HG12 ILE 538 1HG1 ILE 538 -3.394 8.091 4.698 106 HG13 ILE 538 2HG1 ILE 538 -1.974 9.127 4.805 107 HG21 ILE 538 1HG2 ILE 538 -3.057 5.753 3.400 108 HG22 ILE 538 2HG2 ILE 538 -3.352 7.012 2.203 109 HG23 ILE 538 3HG2 ILE 538 -1.973 5.928 2.020 110 HD11 ILE 538 3HD1 ILE 538 -4.153 9.085 2.803 111 HD12 ILE 538 1HD1 ILE 538 -3.308 10.448 3.538 112 HD13 ILE 538 2HD1 ILE 538 -2.536 9.522 2.250 113 H GLY 539 H GLY 539 1.007 7.089 3.100 114 HA2 GLY 539 1HA GLY 539 1.312 4.579 1.893 115 HA3 GLY 539 2HA GLY 539 2.556 5.818 1.983 116 H GLY 540 H GLY 540 2.905 5.945 4.755 117 HA2 GLY 540 1HA GLY 540 4.812 4.000 5.219 118 HA3 GLY 540 2HA GLY 540 4.000 4.906 6.489 119 H VAL 541 H VAL 541 1.455 4.012 6.413 120 HA VAL 541 HA VAL 541 1.712 1.402 7.574 121 HB VAL 541 HB VAL 541 -0.778 3.022 7.026 122 HG11 VAL 541 1HG1 VAL 541 -1.607 1.530 8.972 123 HG12 VAL 541 2HG1 VAL 541 -1.554 0.858 7.340 124 HG13 VAL 541 3HG1 VAL 541 -0.284 0.465 8.501 125 HG21 VAL 541 3HG2 VAL 541 1.315 3.340 8.955 126 HG22 VAL 541 1HG2 VAL 541 -0.129 4.321 8.707 127 HG23 VAL 541 2HG2 VAL 541 -0.188 2.920 9.775 128 H ALA 542 H ALA 542 -0.167 2.690 4.831 129 HA ALA 542 HA ALA 542 -1.267 0.354 3.890 130 HB1 ALA 542 1HB ALA 542 -1.793 1.497 1.981 131 HB2 ALA 542 2HB ALA 542 -1.416 2.847 3.052 132 HB3 ALA 542 3HB ALA 542 -0.218 2.284 1.887 133 H VAL 543 H VAL 543 1.740 1.803 2.622 134 HA VAL 543 HA VAL 543 2.515 -0.340 1.032 135 HB VAL 543 HB VAL 543 4.273 1.653 2.468 136 HG11 VAL 543 1HG1 VAL 543 5.477 0.786 0.084 137 HG12 VAL 543 2HG1 VAL 543 6.014 0.483 1.737 138 HG13 VAL 543 3HG1 VAL 543 4.951 -0.669 0.929 139 HG21 VAL 543 3HG2 VAL 543 3.660 1.771 -0.441 140 HG22 VAL 543 1HG2 VAL 543 2.427 2.308 0.700 141 HG23 VAL 543 2HG2 VAL 543 4.014 3.074 0.693 142 H GLY 544 H GLY 544 3.456 0.387 4.389 143 HA2 GLY 544 1HA GLY 544 5.193 -1.713 4.843 144 HA3 GLY 544 2HA GLY 544 4.170 -0.996 6.078 145 H VAL 545 H VAL 545 1.666 -1.740 4.906 146 HA VAL 545 HA VAL 545 1.393 -4.337 6.006 147 HB VAL 545 HB VAL 545 -0.530 -2.779 4.272 148 HG11 VAL 545 1HG1 VAL 545 -1.332 -4.948 4.149 149 HG12 VAL 545 2HG1 VAL 545 -0.785 -5.351 5.778 150 HG13 VAL 545 3HG1 VAL 545 -2.189 -4.307 5.551 151 HG21 VAL 545 3HG2 VAL 545 -1.273 -2.984 7.031 152 HG22 VAL 545 1HG2 VAL 545 0.356 -2.321 6.903 153 HG23 VAL 545 2HG2 VAL 545 -0.983 -1.540 6.061 154 H VAL 546 H VAL 546 1.573 -3.114 2.697 155 HA VAL 546 HA VAL 546 0.913 -5.453 1.327 156 HB VAL 546 HB VAL 546 2.952 -3.431 0.401 157 HG11 VAL 546 1HG1 VAL 546 1.137 -5.364 -1.024 158 HG12 VAL 546 2HG1 VAL 546 1.968 -4.035 -1.837 159 HG13 VAL 546 3HG1 VAL 546 2.900 -5.309 -1.048 160 HG21 VAL 546 3HG2 VAL 546 0.171 -3.060 1.022 161 HG22 VAL 546 1HG2 VAL 546 1.361 -1.881 0.468 162 HG23 VAL 546 2HG2 VAL 546 0.448 -2.829 -0.705 163 H LEU 547 H LEU 547 4.135 -4.237 2.240 164 HA LEU 547 HA LEU 547 5.635 -6.358 1.240 165 HB2 LEU 547 1HB LEU 547 6.143 -4.584 3.621 166 HB3 LEU 547 2HB LEU 547 7.337 -5.684 2.936 167 HG LEU 547 HG LEU 547 6.078 -3.468 1.337 168 HD11 LEU 547 1HD1 LEU 547 7.775 -1.995 1.930 169 HD12 LEU 547 2HD1 LEU 547 8.773 -3.270 2.627 170 HD13 LEU 547 3HD1 LEU 547 7.320 -2.730 3.468 171 HD21 LEU 547 3HD2 LEU 547 7.806 -3.840 -0.198 172 HD22 LEU 547 1HD2 LEU 547 7.270 -5.455 0.264 173 HD23 LEU 547 2HD2 LEU 547 8.748 -4.787 0.956 174 H LEU 548 H LEU 548 4.176 -5.936 4.446 175 HA LEU 548 HA LEU 548 5.175 -8.279 5.614 176 HB2 LEU 548 1HB LEU 548 3.944 -6.286 6.678 177 HB3 LEU 548 2HB LEU 548 2.469 -7.148 6.245 178 HG LEU 548 HG LEU 548 3.158 -7.469 8.603 179 HD11 LEU 548 1HD1 LEU 548 3.499 -10.173 7.538 180 HD12 LEU 548 2HD1 LEU 548 2.134 -9.289 6.853 181 HD13 LEU 548 3HD1 LEU 548 2.251 -9.514 8.599 182 HD21 LEU 548 3HD2 LEU 548 5.313 -9.328 7.846 183 HD22 LEU 548 1HD2 LEU 548 5.172 -8.253 9.237 184 HD23 LEU 548 2HD2 LEU 548 5.686 -7.612 7.677 185 H LEU 549 H LEU 549 2.313 -7.691 3.644 186 HA LEU 549 HA LEU 549 1.050 -10.168 4.010 187 HB2 LEU 549 1HB LEU 549 0.209 -8.020 2.864 188 HB3 LEU 549 2HB LEU 549 0.985 -8.661 1.418 189 HG LEU 549 HG LEU 549 -1.171 -10.100 2.959 190 HD11 LEU 549 1HD1 LEU 549 -1.702 -7.836 1.739 191 HD12 LEU 549 2HD1 LEU 549 -2.777 -9.226 1.580 192 HD13 LEU 549 3HD1 LEU 549 -1.628 -8.848 0.296 193 HD21 LEU 549 3HD2 LEU 549 -1.264 -11.172 0.546 194 HD22 LEU 549 1HD2 LEU 549 -0.150 -11.765 1.779 195 HD23 LEU 549 2HD2 LEU 549 0.428 -10.673 0.519 196 H VAL 550 H VAL 550 3.551 -9.134 1.745 197 HA VAL 550 HA VAL 550 3.587 -11.439 0.135 198 HB VAL 550 HB VAL 550 5.866 -9.561 0.775 199 HG11 VAL 550 1HG1 VAL 550 6.658 -11.669 -0.152 200 HG12 VAL 550 2HG1 VAL 550 5.526 -11.516 -1.497 201 HG13 VAL 550 3HG1 VAL 550 6.847 -10.361 -1.319 202 HG21 VAL 550 3HG2 VAL 550 4.110 -9.529 -1.665 203 HG22 VAL 550 1HG2 VAL 550 3.734 -8.591 -0.220 204 HG23 VAL 550 2HG2 VAL 550 5.232 -8.290 -1.104 205 H LEU 551 H LEU 551 5.879 -10.523 2.717 206 HA LEU 551 HA LEU 551 7.281 -12.898 2.851 207 HB2 LEU 551 1HB LEU 551 6.647 -10.792 4.878 208 HB3 LEU 551 2HB LEU 551 7.543 -12.235 5.348 209 HG LEU 551 HG LEU 551 9.067 -10.408 4.919 210 HD11 LEU 551 1HD1 LEU 551 9.358 -12.909 4.002 211 HD12 LEU 551 2HD1 LEU 551 10.596 -11.664 3.832 212 HD13 LEU 551 3HD1 LEU 551 9.512 -12.019 2.487 213 HD21 LEU 551 3HD2 LEU 551 7.647 -9.123 3.391 214 HD22 LEU 551 1HD2 LEU 551 7.895 -10.341 2.140 215 HD23 LEU 551 2HD2 LEU 551 9.258 -9.383 2.719 216 H ALA 552 H ALA 552 4.126 -12.128 4.110 217 HA ALA 552 HA ALA 552 3.884 -14.295 5.919 218 HB1 ALA 552 1HB ALA 552 2.098 -12.278 4.746 219 HB2 ALA 552 2HB ALA 552 1.319 -13.790 5.213 220 HB3 ALA 552 3HB ALA 552 2.224 -12.859 6.407 221 H GLY 553 H GLY 553 1.983 -13.927 2.932 222 HA2 GLY 553 1HA GLY 553 1.348 -16.627 2.673 223 HA3 GLY 553 2HA GLY 553 1.323 -15.461 1.359 224 H VAL 554 H VAL 554 3.880 -14.808 0.944 225 HA VAL 554 HA VAL 554 4.908 -16.962 -0.507 226 HB VAL 554 HB VAL 554 6.418 -14.545 0.498 227 HG11 VAL 554 1HG1 VAL 554 7.926 -14.961 -1.374 228 HG12 VAL 554 2HG1 VAL 554 7.888 -16.340 -0.274 229 HG13 VAL 554 3HG1 VAL 554 7.008 -16.404 -1.803 230 HG21 VAL 554 3HG2 VAL 554 5.827 -14.216 -2.194 231 HG22 VAL 554 1HG2 VAL 554 4.340 -14.853 -1.493 232 HG23 VAL 554 2HG2 VAL 554 5.064 -13.385 -0.840 233 H GLY 555 H GLY 555 5.586 -15.852 2.762 234 HA2 GLY 555 1HA GLY 555 7.846 -17.557 3.164 235 HA3 GLY 555 2HA GLY 555 6.956 -16.699 4.412 236 H PHE 556 H PHE 556 4.449 -18.055 3.263 237 HA PHE 556 HA PHE 556 4.712 -20.458 4.906 238 HB2 PHE 556 1HB PHE 556 2.824 -19.212 5.550 239 HB3 PHE 556 2HB PHE 556 2.362 -18.885 3.883 240 HD1 PHE 556 1HD PHE 556 1.242 -20.587 2.544 241 HD2 PHE 556 2HD PHE 556 2.219 -21.261 6.632 242 HE1 PHE 556 1HE PHE 556 -0.298 -22.505 2.593 243 HE2 PHE 556 2HE PHE 556 0.681 -23.181 6.685 244 HZ PHE 556 HZ PHE 556 -0.579 -23.806 4.665 245 H PHE 557 H PHE 557 4.184 -19.448 1.616 246 HA PHE 557 HA PHE 557 3.211 -21.896 0.592 247 HB2 PHE 557 1HB PHE 557 4.616 -19.561 -0.701 248 HB3 PHE 557 2HB PHE 557 4.066 -20.957 -1.619 249 HD1 PHE 557 2HD PHE 557 1.494 -21.559 -0.395 250 HD2 PHE 557 1HD PHE 557 3.261 -17.800 -1.325 251 HE1 PHE 557 2HE PHE 557 -0.745 -20.555 -0.579 252 HE2 PHE 557 1HE PHE 557 1.026 -16.790 -1.509 253 HZ PHE 557 HZ PHE 557 -0.982 -18.168 -1.138 254 H ILE 558 H ILE 558 6.239 -21.040 1.787 255 HA ILE 558 HA ILE 558 7.616 -23.098 0.210 256 HB ILE 558 HB ILE 558 8.746 -20.944 0.258 257 HG12 ILE 558 1HG1 ILE 558 10.527 -22.432 2.075 258 HG13 ILE 558 2HG1 ILE 558 9.895 -23.374 0.729 259 HG21 ILE 558 1HG2 ILE 558 7.859 -20.861 2.912 260 HG22 ILE 558 2HG2 ILE 558 9.620 -20.907 2.994 261 HG23 ILE 558 3HG2 ILE 558 8.812 -19.647 2.060 262 HD11 ILE 558 3HD1 ILE 558 11.645 -22.558 -0.384 263 HD12 ILE 558 1HD1 ILE 558 10.682 -21.087 -0.516 264 HD13 ILE 558 2HD1 ILE 558 11.885 -21.241 0.765 265 H HIS 559 H HIS 559 6.441 -22.352 3.372 266 HA HIS 559 HA HIS 559 7.443 -24.946 4.320 267 HB2 HIS 559 1HB HIS 559 7.545 -22.311 5.790 268 HB3 HIS 559 2HB HIS 559 7.698 -23.865 6.605 269 HD1 HIS 559 1HD HIS 559 9.557 -25.292 4.594 270 HD2 HIS 559 2HD HIS 559 10.111 -21.406 5.956 271 HE1 HIS 559 1HE HIS 559 12.007 -24.815 4.286 272 H ARG 560 H ARG 560 4.950 -24.633 3.245 273 HA ARG 560 HA ARG 560 2.923 -23.943 5.077 274 HB2 ARG 560 1HB ARG 560 1.481 -25.414 3.576 275 HB3 ARG 560 2HB ARG 560 2.297 -24.060 2.806 276 HG2 ARG 560 1HG ARG 560 3.991 -26.353 2.690 277 HG3 ARG 560 2HG ARG 560 2.385 -26.784 2.099 278 HD2 ARG 560 1HD ARG 560 3.211 -24.208 1.093 279 HD3 ARG 560 2HD ARG 560 4.400 -25.450 0.702 280 HE ARG 560 HE ARG 560 1.670 -26.184 0.131 281 HH11 ARG 560 1HH1 ARG 560 4.574 -24.687 -1.074 282 HH12 ARG 560 2HH1 ARG 560 4.171 -24.944 -2.739 283 HH21 ARG 560 1HH2 ARG 560 1.129 -26.526 -2.059 284 HH22 ARG 560 2HH2 ARG 560 2.210 -25.988 -3.298 285 H ARG 561 H ARG 561 4.937 -26.717 4.803 286 HA ARG 561 HA ARG 561 3.662 -27.887 7.136 287 HB2 ARG 561 1HB ARG 561 3.957 -29.380 4.525 288 HB3 ARG 561 2HB ARG 561 3.608 -30.150 6.067 289 HG2 ARG 561 1HG ARG 561 1.609 -28.472 6.124 290 HG3 ARG 561 2HG ARG 561 1.873 -28.416 4.379 291 HD2 ARG 561 1HD ARG 561 1.961 -31.128 5.095 292 HD3 ARG 561 2HD ARG 561 0.591 -30.438 5.965 293 HE ARG 561 HE ARG 561 0.759 -30.938 3.170 294 HH11 ARG 561 1HH1 ARG 561 -0.577 -28.753 5.529 295 HH12 ARG 561 2HH1 ARG 561 -1.905 -28.275 4.525 296 HH21 ARG 561 1HH2 ARG 561 -0.986 -30.316 1.839 297 HH22 ARG 561 2HH2 ARG 561 -2.137 -29.165 2.428 298 H ARG 562 H ARG 562 6.073 -26.623 7.064 299 HA ARG 562 HA ARG 562 8.357 -28.015 6.450 300 HB2 ARG 562 1HB ARG 562 9.447 -26.778 8.293 301 HB3 ARG 562 2HB ARG 562 8.427 -25.744 7.300 302 HG2 ARG 562 1HG ARG 562 6.935 -26.827 9.510 303 HG3 ARG 562 2HG ARG 562 8.389 -26.001 10.072 304 HD2 ARG 562 1HD ARG 562 7.732 -24.056 8.641 305 HD3 ARG 562 2HD ARG 562 6.208 -24.881 8.322 306 HE ARG 562 HE ARG 562 5.491 -24.302 10.421 307 HH11 ARG 562 1HH1 ARG 562 8.929 -23.801 10.198 308 HH12 ARG 562 2HH1 ARG 562 9.042 -22.987 11.723 309 HH21 ARG 562 1HH2 ARG 562 5.626 -23.231 12.431 310 HH22 ARG 562 2HH2 ARG 562 7.161 -22.665 12.992 311 H LYS 563 H LYS 563 9.476 -29.700 7.271 312 HA LYS 563 HA LYS 563 8.148 -31.558 8.947 313 HB2 LYS 563 1HB LYS 563 10.091 -32.928 8.714 314 HB3 LYS 563 2HB LYS 563 9.836 -32.120 7.172 315 HG2 LYS 563 1HG LYS 563 11.508 -30.371 8.364 316 HG3 LYS 563 2HG LYS 563 12.051 -31.886 9.088 317 HD2 LYS 563 1HD LYS 563 13.117 -32.438 7.217 318 HD3 LYS 563 2HD LYS 563 11.624 -32.279 6.288 319 HE2 LYS 563 1HE LYS 563 12.091 -29.759 6.338 320 HE3 LYS 563 2HE LYS 563 13.718 -30.202 6.852 321 HZ1 LYS 563 3HZ LYS 563 12.671 -30.167 4.257 322 HZ2 LYS 563 1HZ LYS 563 13.041 -31.773 4.639 323 HZ3 LYS 563 2HZ LYS 563 14.235 -30.582 4.749 324 H1 GLU 523 H GLU 523 7.894 10.030 -26.782 325 HA GLU 523 HA GLU 523 7.961 12.286 -25.928 326 HB2 GLU 523 1HB GLU 523 5.698 11.278 -26.124 327 HB3 GLU 523 2HB GLU 523 5.813 10.754 -24.451 328 HG2 GLU 523 1HG GLU 523 4.929 12.683 -23.841 329 HG3 GLU 523 2HG GLU 523 6.384 13.491 -24.423 330 H PHE 524 H PHE 524 9.245 13.325 -24.569 331 HA PHE 524 HA PHE 524 9.411 12.377 -21.784 332 HB2 PHE 524 1HB PHE 524 11.549 13.303 -23.664 333 HB3 PHE 524 2HB PHE 524 11.743 13.587 -21.937 334 HD1 PHE 524 2HD PHE 524 11.202 11.426 -20.456 335 HD2 PHE 524 1HD PHE 524 12.461 11.389 -24.522 336 HE1 PHE 524 2HE PHE 524 12.037 9.129 -20.172 337 HE2 PHE 524 1HE PHE 524 13.298 9.092 -24.245 338 HZ PHE 524 HZ PHE 524 13.089 7.960 -22.068 339 H GLN 525 H GLN 525 8.419 13.755 -20.476 340 HA GLN 525 HA GLN 525 9.138 16.464 -20.258 341 HB2 GLN 525 1HB GLN 525 6.835 17.395 -20.865 342 HB3 GLN 525 2HB GLN 525 7.906 16.973 -22.195 343 HG2 GLN 525 1HG GLN 525 6.439 15.534 -23.014 344 HG3 GLN 525 2HG GLN 525 6.280 14.721 -21.458 345 HE21 GLN 525 2HE2 GLN 525 5.175 16.574 -19.869 346 HE22 GLN 525 1HE2 GLN 525 3.619 17.041 -20.456 347 H THR 526 H THR 526 7.326 17.661 -18.879 348 HA THR 526 HA THR 526 5.853 15.889 -17.131 349 HB THR 526 HB THR 526 7.016 17.003 -15.090 350 HG1 THR 526 1HG THR 526 8.796 17.516 -17.210 351 HG21 THR 526 3HG2 THR 526 7.125 14.557 -16.010 352 HG22 THR 526 1HG2 THR 526 8.268 15.084 -14.776 353 HG23 THR 526 2HG2 THR 526 8.768 15.007 -16.466 354 H LEU 527 H LEU 527 4.168 16.898 -16.143 355 HA LEU 527 HA LEU 527 3.593 19.601 -16.973 356 HB2 LEU 527 1HB LEU 527 2.058 17.573 -15.366 357 HB3 LEU 527 2HB LEU 527 1.457 19.197 -15.692 358 HG LEU 527 HG LEU 527 2.224 17.387 -17.953 359 HD11 LEU 527 1HD1 LEU 527 -0.312 17.318 -16.343 360 HD12 LEU 527 2HD1 LEU 527 0.749 15.980 -16.777 361 HD13 LEU 527 3HD1 LEU 527 -0.231 16.763 -18.015 362 HD21 LEU 527 3HD2 LEU 527 1.740 19.826 -18.276 363 HD22 LEU 527 1HD2 LEU 527 0.092 19.505 -17.734 364 HD23 LEU 527 2HD2 LEU 527 0.704 18.734 -19.198 365 H SER 528 H SER 528 2.333 20.893 -15.101 366 HA SER 528 HA SER 528 4.187 21.025 -12.813 367 HB2 SER 528 1HB SER 528 3.540 23.513 -12.792 368 HB3 SER 528 2HB SER 528 4.627 22.974 -14.072 369 HG SER 528 HG SER 528 3.201 23.771 -15.380 370 HA PRO 529 HA PRO 529 0.040 20.136 -11.060 371 HB2 PRO 529 1HB PRO 529 1.004 18.677 -8.983 372 HB3 PRO 529 2HB PRO 529 0.711 17.991 -10.586 373 HG2 PRO 529 1HG PRO 529 3.281 18.925 -9.366 374 HG3 PRO 529 2HG PRO 529 2.962 17.469 -10.327 375 HD2 PRO 529 1HD PRO 529 4.101 19.688 -11.380 376 HD3 PRO 529 2HD PRO 529 3.048 18.614 -12.324 377 H GLU 530 H GLU 530 -0.584 20.307 -8.611 378 HA GLU 530 HA GLU 530 0.955 22.395 -7.260 379 HB2 GLU 530 1HB GLU 530 -2.030 22.644 -7.594 380 HB3 GLU 530 2HB GLU 530 -0.906 23.845 -6.972 381 HG2 GLU 530 1HG GLU 530 0.109 23.496 -9.434 382 HG3 GLU 530 2HG GLU 530 -1.590 23.144 -9.748 383 H GLY 531 H GLY 531 -0.895 22.932 -5.235 384 HA2 GLY 531 1HA GLY 531 -0.764 20.394 -3.769 385 HA3 GLY 531 2HA GLY 531 -0.908 21.992 -3.051 386 H SER 532 H SER 532 -2.568 19.218 -4.116 387 HA SER 532 HA SER 532 -5.051 20.237 -3.063 388 HB2 SER 532 1HB SER 532 -6.382 19.901 -5.058 389 HB3 SER 532 2HB SER 532 -5.070 21.015 -5.439 390 HG SER 532 HG SER 532 -5.532 19.161 -6.933 391 H GLY 533 H GLY 533 -3.473 18.236 -2.085 392 HA2 GLY 533 1HA GLY 533 -4.002 16.172 -1.116 393 HA3 GLY 533 2HA GLY 533 -5.272 15.962 -2.312 394 H ASN 534 H ASN 534 -1.788 16.578 -2.674 395 HA ASN 534 HA ASN 534 -1.586 14.611 -4.748 396 HB2 ASN 534 1HB ASN 534 0.360 16.438 -3.369 397 HB3 ASN 534 2HB ASN 534 0.943 15.156 -4.428 398 HD21 ASN 534 2HD2 ASN 534 -1.920 17.217 -4.678 399 HD22 ASN 534 1HD2 ASN 534 -1.497 17.916 -6.201 400 H LEU 535 H LEU 535 -1.070 14.676 -1.323 401 HA LEU 535 HA LEU 535 0.545 12.298 -1.241 402 HB2 LEU 535 1HB LEU 535 -0.899 13.831 0.913 403 HB3 LEU 535 2HB LEU 535 0.140 12.439 1.215 404 HG LEU 535 HG LEU 535 1.452 14.319 1.717 405 HD11 LEU 535 1HD1 LEU 535 3.235 14.251 0.097 406 HD12 LEU 535 2HD1 LEU 535 2.148 13.589 -1.125 407 HD13 LEU 535 3HD1 LEU 535 2.564 12.632 0.297 408 HD21 LEU 535 3HD2 LEU 535 1.099 15.652 -0.908 409 HD22 LEU 535 1HD2 LEU 535 1.393 16.344 0.686 410 HD23 LEU 535 2HD2 LEU 535 -0.221 15.780 0.255 411 H ALA 536 H ALA 536 -2.804 13.013 -1.377 412 HA ALA 536 HA ALA 536 -3.867 10.758 -0.068 413 HB1 ALA 536 1HB ALA 536 -5.928 11.340 -1.006 414 HB2 ALA 536 2HB ALA 536 -5.072 12.874 -0.851 415 HB3 ALA 536 3HB ALA 536 -5.178 12.080 -2.420 416 H VAL 537 H VAL 537 -2.688 11.258 -3.340 417 HA VAL 537 HA VAL 537 -3.703 9.013 -4.609 418 HB VAL 537 HB VAL 537 -0.931 10.126 -5.046 419 HG11 VAL 537 1HG1 VAL 537 -1.165 8.132 -6.274 420 HG12 VAL 537 2HG1 VAL 537 -2.826 8.515 -6.734 421 HG13 VAL 537 3HG1 VAL 537 -1.485 9.426 -7.427 422 HG21 VAL 537 3HG2 VAL 537 -2.376 11.354 -6.926 423 HG22 VAL 537 1HG2 VAL 537 -3.609 11.225 -5.672 424 HG23 VAL 537 2HG2 VAL 537 -2.092 12.057 -5.334 425 H ILE 538 H ILE 538 -1.246 9.253 -2.190 426 HA ILE 538 HA ILE 538 0.191 6.899 -2.652 427 HB ILE 538 HB ILE 538 -0.452 8.108 0.038 428 HG12 ILE 538 1HG1 ILE 538 1.936 8.652 -1.733 429 HG13 ILE 538 2HG1 ILE 538 0.529 9.705 -1.643 430 HG21 ILE 538 1HG2 ILE 538 1.539 6.095 -0.914 431 HG22 ILE 538 2HG2 ILE 538 1.905 7.115 0.475 432 HG23 ILE 538 3HG2 ILE 538 0.498 6.053 0.509 433 HD11 ILE 538 3HD1 ILE 538 1.090 9.611 0.940 434 HD12 ILE 538 1HD1 ILE 538 2.703 9.266 0.316 435 HD13 ILE 538 2HD1 ILE 538 1.874 10.751 -0.152 436 H GLY 539 H GLY 539 -2.471 7.392 -0.318 437 HA2 GLY 539 1HA GLY 539 -2.774 4.693 0.369 438 HA3 GLY 539 2HA GLY 539 -4.013 5.927 0.544 439 H GLY 540 H GLY 540 -4.384 6.602 -2.150 440 HA2 GLY 540 1HA GLY 540 -6.311 4.797 -2.964 441 HA3 GLY 540 2HA GLY 540 -5.507 5.932 -4.040 442 H VAL 541 H VAL 541 -2.973 5.036 -4.188 443 HA VAL 541 HA VAL 541 -3.262 2.698 -5.827 444 HB VAL 541 HB VAL 541 -0.750 4.174 -5.024 445 HG11 VAL 541 1HG1 VAL 541 -0.427 2.956 -7.517 446 HG12 VAL 541 2HG1 VAL 541 0.331 2.490 -5.992 447 HG13 VAL 541 3HG1 VAL 541 -1.184 1.736 -6.492 448 HG21 VAL 541 3HG2 VAL 541 -0.924 5.313 -7.149 449 HG22 VAL 541 1HG2 VAL 541 -2.388 4.412 -7.545 450 HG23 VAL 541 2HG2 VAL 541 -2.400 5.575 -6.219 451 H ALA 542 H ALA 542 -1.342 3.437 -2.913 452 HA ALA 542 HA ALA 542 -0.221 0.968 -2.461 453 HB1 ALA 542 1HB ALA 542 -0.039 3.236 -1.160 454 HB2 ALA 542 2HB ALA 542 -1.259 2.497 -0.123 455 HB3 ALA 542 3HB ALA 542 0.301 1.707 -0.350 456 H VAL 543 H VAL 543 -3.233 2.126 -0.930 457 HA VAL 543 HA VAL 543 -3.976 -0.286 0.239 458 HB VAL 543 HB VAL 543 -5.761 1.925 -0.789 459 HG11 VAL 543 1HG1 VAL 543 -7.487 0.625 -0.281 460 HG12 VAL 543 2HG1 VAL 543 -6.409 -0.651 0.289 461 HG13 VAL 543 3HG1 VAL 543 -6.941 0.615 1.396 462 HG21 VAL 543 3HG2 VAL 543 -5.312 3.075 1.082 463 HG22 VAL 543 1HG2 VAL 543 -5.345 1.627 2.090 464 HG23 VAL 543 2HG2 VAL 543 -3.884 2.046 1.195 465 H GLY 544 H GLY 544 -4.952 1.051 -2.916 466 HA2 GLY 544 1HA GLY 544 -6.670 -0.949 -3.744 467 HA3 GLY 544 2HA GLY 544 -5.668 0.003 -4.830 468 H VAL 545 H VAL 545 -3.149 -0.931 -3.786 469 HA VAL 545 HA VAL 545 -2.846 -3.259 -5.381 470 HB VAL 545 HB VAL 545 -0.939 -2.049 -3.376 471 HG11 VAL 545 1HG1 VAL 545 -0.670 -4.283 -5.341 472 HG12 VAL 545 2HG1 VAL 545 0.727 -3.277 -4.957 473 HG13 VAL 545 3HG1 VAL 545 -0.092 -4.175 -3.679 474 HG21 VAL 545 3HG2 VAL 545 -1.832 -1.101 -5.877 475 HG22 VAL 545 1HG2 VAL 545 -0.517 -0.472 -4.881 476 HG23 VAL 545 2HG2 VAL 545 -0.186 -1.691 -6.112 477 H VAL 546 H VAL 546 -2.990 -2.703 -1.892 478 HA VAL 546 HA VAL 546 -2.310 -5.243 -0.992 479 HB VAL 546 HB VAL 546 -4.403 -3.476 0.276 480 HG11 VAL 546 1HG1 VAL 546 -4.341 -5.589 1.346 481 HG12 VAL 546 2HG1 VAL 546 -2.577 -5.627 1.327 482 HG13 VAL 546 3HG1 VAL 546 -3.426 -4.486 2.371 483 HG21 VAL 546 3HG2 VAL 546 -1.633 -2.937 -0.230 484 HG22 VAL 546 1HG2 VAL 546 -2.841 -1.921 0.557 485 HG23 VAL 546 2HG2 VAL 546 -1.906 -3.076 1.507 486 H LEU 547 H LEU 547 -5.570 -3.956 -1.648 487 HA LEU 547 HA LEU 547 -7.002 -6.279 -1.107 488 HB2 LEU 547 1HB LEU 547 -7.588 -4.096 -3.101 489 HB3 LEU 547 2HB LEU 547 -8.745 -5.324 -2.590 490 HG LEU 547 HG LEU 547 -7.474 -3.446 -0.620 491 HD11 LEU 547 1HD1 LEU 547 -8.448 -1.862 -1.975 492 HD12 LEU 547 2HD1 LEU 547 -9.779 -2.257 -0.890 493 HD13 LEU 547 3HD1 LEU 547 -9.728 -2.950 -2.512 494 HD21 LEU 547 3HD2 LEU 547 -8.631 -4.708 0.794 495 HD22 LEU 547 1HD2 LEU 547 -9.387 -5.595 -0.530 496 HD23 LEU 547 2HD2 LEU 547 -10.107 -4.093 0.051 497 H LEU 548 H LEU 548 -5.661 -5.139 -4.195 498 HA LEU 548 HA LEU 548 -6.573 -7.211 -5.815 499 HB2 LEU 548 1HB LEU 548 -5.370 -5.023 -6.430 500 HB3 LEU 548 2HB LEU 548 -3.884 -5.937 -6.180 501 HG LEU 548 HG LEU 548 -4.563 -5.764 -8.556 502 HD11 LEU 548 1HD1 LEU 548 -3.517 -7.899 -7.223 503 HD12 LEU 548 2HD1 LEU 548 -3.625 -7.751 -8.976 504 HD13 LEU 548 3HD1 LEU 548 -4.866 -8.635 -8.089 505 HD21 LEU 548 3HD2 LEU 548 -6.712 -7.758 -8.157 506 HD22 LEU 548 1HD2 LEU 548 -6.549 -6.487 -9.370 507 HD23 LEU 548 2HD2 LEU 548 -7.086 -6.087 -7.737 508 H LEU 549 H LEU 549 -3.723 -7.014 -3.754 509 HA LEU 549 HA LEU 549 -2.438 -9.352 -4.628 510 HB2 LEU 549 1HB LEU 549 -1.598 -7.470 -3.084 511 HB3 LEU 549 2HB LEU 549 -2.359 -8.393 -1.789 512 HG LEU 549 HG LEU 549 -0.213 -9.487 -3.601 513 HD11 LEU 549 1HD1 LEU 549 1.407 -8.893 -2.092 514 HD12 LEU 549 2HD1 LEU 549 0.267 -8.756 -0.753 515 HD13 LEU 549 3HD1 LEU 549 0.334 -7.497 -1.987 516 HD21 LEU 549 3HD2 LEU 549 -1.787 -10.532 -1.310 517 HD22 LEU 549 1HD2 LEU 549 -0.088 -10.994 -1.427 518 HD23 LEU 549 2HD2 LEU 549 -1.195 -11.359 -2.752 519 H VAL 550 H VAL 550 -4.932 -8.814 -2.194 520 HA VAL 550 HA VAL 550 -4.939 -11.373 -1.045 521 HB VAL 550 HB VAL 550 -7.248 -9.452 -1.369 522 HG11 VAL 550 1HG1 VAL 550 -8.262 -10.654 0.504 523 HG12 VAL 550 2HG1 VAL 550 -8.018 -11.714 -0.885 524 HG13 VAL 550 3HG1 VAL 550 -6.922 -11.801 0.494 525 HG21 VAL 550 3HG2 VAL 550 -6.323 -8.222 0.233 526 HG22 VAL 550 1HG2 VAL 550 -6.173 -9.634 1.280 527 HG23 VAL 550 2HG2 VAL 550 -4.886 -9.239 0.141 528 H LEU 551 H LEU 551 -7.103 -10.048 -3.555 529 HA LEU 551 HA LEU 551 -8.548 -12.325 -4.118 530 HB2 LEU 551 1HB LEU 551 -7.697 -9.997 -5.792 531 HB3 LEU 551 2HB LEU 551 -8.595 -11.329 -6.517 532 HG LEU 551 HG LEU 551 -10.095 -9.520 -5.962 533 HD11 LEU 551 1HD1 LEU 551 -10.469 -12.137 -5.314 534 HD12 LEU 551 2HD1 LEU 551 -11.718 -10.893 -5.260 535 HD13 LEU 551 3HD1 LEU 551 -10.849 -11.334 -3.790 536 HD21 LEU 551 3HD2 LEU 551 -10.423 -8.780 -3.664 537 HD22 LEU 551 1HD2 LEU 551 -8.761 -8.496 -4.182 538 HD23 LEU 551 2HD2 LEU 551 -9.134 -9.855 -3.121 539 H ALA 552 H ALA 552 -5.370 -11.381 -5.327 540 HA ALA 552 HA ALA 552 -5.074 -13.415 -7.248 541 HB1 ALA 552 1HB ALA 552 -3.064 -11.810 -5.689 542 HB2 ALA 552 2HB ALA 552 -2.605 -12.977 -6.928 543 HB3 ALA 552 3HB ALA 552 -3.591 -11.580 -7.357 544 H GLY 553 H GLY 553 -3.267 -13.267 -4.178 545 HA2 GLY 553 1HA GLY 553 -2.485 -15.916 -4.106 546 HA3 GLY 553 2HA GLY 553 -2.694 -14.912 -2.679 547 H VAL 554 H VAL 554 -5.245 -14.542 -2.306 548 HA VAL 554 HA VAL 554 -6.221 -17.021 -1.404 549 HB VAL 554 HB VAL 554 -7.886 -14.547 -1.863 550 HG11 VAL 554 1HG1 VAL 554 -9.100 -15.431 0.140 551 HG12 VAL 554 2HG1 VAL 554 -9.232 -16.438 -1.302 552 HG13 VAL 554 3HG1 VAL 554 -8.137 -16.901 0.001 553 HG21 VAL 554 3HG2 VAL 554 -5.656 -14.993 -0.052 554 HG22 VAL 554 1HG2 VAL 554 -6.496 -13.499 -0.466 555 HG23 VAL 554 2HG2 VAL 554 -7.139 -14.552 0.793 556 H GLY 555 H GLY 555 -6.308 -15.596 -4.484 557 HA2 GLY 555 1HA GLY 555 -8.780 -16.691 -5.409 558 HA3 GLY 555 2HA GLY 555 -7.483 -16.057 -6.413 559 H PHE 556 H PHE 556 -5.387 -17.687 -5.819 560 HA PHE 556 HA PHE 556 -6.286 -20.206 -6.993 561 HB2 PHE 556 1HB PHE 556 -4.521 -19.310 -8.252 562 HB3 PHE 556 2HB PHE 556 -3.626 -18.816 -6.818 563 HD1 PHE 556 2HD PHE 556 -4.509 -21.633 -8.991 564 HD2 PHE 556 1HD PHE 556 -2.208 -20.351 -5.649 565 HE1 PHE 556 2HE PHE 556 -3.194 -23.709 -9.106 566 HE2 PHE 556 1HE PHE 556 -0.887 -22.424 -5.759 567 HZ PHE 556 HZ PHE 556 -1.380 -24.107 -7.488 568 H PHE 557 H PHE 557 -4.943 -18.907 -4.077 569 HA PHE 557 HA PHE 557 -3.977 -21.370 -3.010 570 HB2 PHE 557 1HB PHE 557 -3.147 -19.174 -2.242 571 HB3 PHE 557 2HB PHE 557 -4.736 -18.818 -1.572 572 HD1 PHE 557 1HD PHE 557 -3.042 -22.092 -1.424 573 HD2 PHE 557 2HD PHE 557 -4.131 -18.565 0.694 574 HE1 PHE 557 1HE PHE 557 -2.383 -23.163 0.692 575 HE2 PHE 557 2HE PHE 557 -3.472 -19.629 2.813 576 HZ PHE 557 HZ PHE 557 -2.597 -21.930 2.814 577 H ILE 558 H ILE 558 -7.060 -20.231 -3.566 578 HA ILE 558 HA ILE 558 -8.248 -21.633 -1.288 579 HB ILE 558 HB ILE 558 -9.086 -19.366 -1.904 580 HG12 ILE 558 1HG1 ILE 558 -11.262 -21.407 -2.312 581 HG13 ILE 558 2HG1 ILE 558 -10.442 -21.237 -0.764 582 HG21 ILE 558 1HG2 ILE 558 -8.939 -20.212 -4.466 583 HG22 ILE 558 2HG2 ILE 558 -10.661 -20.420 -4.152 584 HG23 ILE 558 3HG2 ILE 558 -9.910 -18.840 -3.931 585 HD11 ILE 558 3HD1 ILE 558 -12.639 -19.794 -1.717 586 HD12 ILE 558 1HD1 ILE 558 -11.738 -19.533 -0.226 587 HD13 ILE 558 2HD1 ILE 558 -11.283 -18.669 -1.693 588 H HIS 559 H HIS 559 -7.610 -22.021 -4.638 589 HA HIS 559 HA HIS 559 -9.550 -24.202 -4.882 590 HB2 HIS 559 1HB HIS 559 -7.934 -22.634 -6.874 591 HB3 HIS 559 2HB HIS 559 -8.668 -24.172 -7.318 592 HD1 HIS 559 1HD HIS 559 -11.280 -23.493 -5.479 593 HD2 HIS 559 2HD HIS 559 -9.681 -21.253 -8.590 594 HE1 HIS 559 1HE HIS 559 -13.174 -22.073 -6.327 595 H ARG 560 H ARG 560 -6.163 -23.572 -4.556 596 HA ARG 560 HA ARG 560 -5.232 -26.089 -5.520 597 HB2 ARG 560 1HB ARG 560 -3.095 -25.435 -4.737 598 HB3 ARG 560 2HB ARG 560 -3.874 -23.957 -5.292 599 HG2 ARG 560 1HG ARG 560 -3.141 -23.149 -3.332 600 HG3 ARG 560 2HG ARG 560 -4.593 -23.925 -2.698 601 HD2 ARG 560 1HD ARG 560 -2.767 -25.975 -2.718 602 HD3 ARG 560 2HD ARG 560 -1.778 -24.580 -2.288 603 HE ARG 560 HE ARG 560 -4.140 -24.604 -0.743 604 HH11 ARG 560 1HH1 ARG 560 -1.098 -26.261 -1.092 605 HH12 ARG 560 2HH1 ARG 560 -1.020 -26.739 0.573 606 HH21 ARG 560 1HH2 ARG 560 -4.049 -25.227 1.449 607 HH22 ARG 560 2HH2 ARG 560 -2.700 -26.151 2.016 608 H ARG 561 H ARG 561 -4.921 -27.980 -4.477 609 HA ARG 561 HA ARG 561 -5.181 -29.608 -2.908 610 HB2 ARG 561 1HB ARG 561 -4.206 -27.292 -1.263 611 HB3 ARG 561 2HB ARG 561 -4.607 -28.827 -0.503 612 HG2 ARG 561 1HG ARG 561 -2.595 -28.470 -2.714 613 HG3 ARG 561 2HG ARG 561 -2.211 -28.595 -0.997 614 HD2 ARG 561 1HD ARG 561 -3.648 -30.804 -1.205 615 HD3 ARG 561 2HD ARG 561 -3.158 -30.679 -2.894 616 HE ARG 561 HE ARG 561 -1.506 -31.398 -0.665 617 HH11 ARG 561 1HH1 ARG 561 -1.530 -29.996 -3.852 618 HH12 ARG 561 2HH1 ARG 561 0.124 -30.396 -4.182 619 HH21 ARG 561 1HH2 ARG 561 0.671 -31.928 -1.087 620 HH22 ARG 561 2HH2 ARG 561 1.375 -31.495 -2.609 621 H ARG 562 H ARG 562 -7.489 -27.916 -3.637 622 HA ARG 562 HA ARG 562 -9.611 -27.392 -2.944 623 HB2 ARG 562 1HB ARG 562 -10.823 -29.276 -2.159 624 HB3 ARG 562 2HB ARG 562 -9.534 -29.909 -3.173 625 HG2 ARG 562 1HG ARG 562 -8.916 -29.681 -0.301 626 HG3 ARG 562 2HG ARG 562 -10.136 -30.875 -0.745 627 HD2 ARG 562 1HD ARG 562 -7.827 -30.931 -2.508 628 HD3 ARG 562 2HD ARG 562 -7.396 -31.220 -0.823 629 HE ARG 562 HE ARG 562 -9.641 -32.781 -1.572 630 HH11 ARG 562 1HH1 ARG 562 -6.184 -32.575 -1.924 631 HH12 ARG 562 2HH1 ARG 562 -5.975 -34.282 -2.152 632 HH21 ARG 562 1HH2 ARG 562 -9.380 -35.026 -1.870 633 HH22 ARG 562 2HH2 ARG 562 -7.794 -35.674 -2.122 634 H LYS 563 H LYS 563 -10.995 -28.132 -0.594 635 HA LYS 563 HA LYS 563 -9.738 -26.287 1.308 636 HB2 LYS 563 1HB LYS 563 -12.578 -27.297 1.384 637 HB3 LYS 563 2HB LYS 563 -11.909 -25.894 2.206 638 HG2 LYS 563 1HG LYS 563 -12.824 -24.752 0.515 639 HG3 LYS 563 2HG LYS 563 -11.395 -25.272 -0.382 640 HD2 LYS 563 1HD LYS 563 -12.558 -26.790 -1.614 641 HD3 LYS 563 2HD LYS 563 -13.694 -27.142 -0.310 642 HE2 LYS 563 1HE LYS 563 -14.214 -24.502 -0.940 643 HE3 LYS 563 2HE LYS 563 -13.899 -25.246 -2.507 644 HZ1 LYS 563 3HZ LYS 563 -16.243 -25.363 -1.898 645 HZ2 LYS 563 1HZ LYS 563 -15.855 -26.235 -0.502 646 HZ3 LYS 563 2HZ LYS 563 -15.569 -26.910 -2.026 Start of MODEL 15 1 H1 GLU 523 H GLU 523 14.064 -6.583 -9.223 2 HA GLU 523 HA GLU 523 15.843 -5.337 -8.012 3 HB2 GLU 523 1HB GLU 523 15.890 -6.175 -10.684 4 HB3 GLU 523 2HB GLU 523 16.607 -4.570 -10.696 5 HG2 GLU 523 1HG GLU 523 18.505 -5.592 -10.165 6 HG3 GLU 523 2HG GLU 523 17.827 -5.744 -8.547 7 H PHE 524 H PHE 524 13.743 -3.537 -10.135 8 HA PHE 524 HA PHE 524 15.081 -1.022 -9.523 9 HB2 PHE 524 1HB PHE 524 14.191 -1.585 -11.830 10 HB3 PHE 524 2HB PHE 524 12.573 -1.411 -11.157 11 HD1 PHE 524 1HD PHE 524 15.740 0.390 -11.793 12 HD2 PHE 524 2HD PHE 524 11.589 0.702 -10.900 13 HE1 PHE 524 1HE PHE 524 15.836 2.815 -12.204 14 HE2 PHE 524 2HE PHE 524 11.679 3.125 -11.311 15 HZ PHE 524 HZ PHE 524 13.804 4.185 -11.965 16 H GLN 525 H GLN 525 14.365 0.452 -8.099 17 HA GLN 525 HA GLN 525 11.659 0.211 -7.018 18 HB2 GLN 525 1HB GLN 525 14.095 0.424 -5.243 19 HB3 GLN 525 2HB GLN 525 12.419 0.306 -4.724 20 HG2 GLN 525 1HG GLN 525 13.912 -1.832 -6.224 21 HG3 GLN 525 2HG GLN 525 13.665 -1.802 -4.479 22 HE21 GLN 525 2HE2 GLN 525 12.821 -3.803 -6.383 23 HE22 GLN 525 1HE2 GLN 525 11.100 -3.902 -6.267 24 H THR 526 H THR 526 11.712 2.100 -5.085 25 HA THR 526 HA THR 526 12.920 4.514 -6.192 26 HB THR 526 HB THR 526 10.801 5.760 -6.146 27 HG1 THR 526 1HG THR 526 8.844 4.544 -5.952 28 HG21 THR 526 3HG2 THR 526 9.759 4.727 -8.139 29 HG22 THR 526 1HG2 THR 526 10.749 3.291 -7.885 30 HG23 THR 526 2HG2 THR 526 11.514 4.832 -8.270 31 H LEU 527 H LEU 527 13.582 3.160 -3.850 32 HA LEU 527 HA LEU 527 13.959 3.490 -1.632 33 HB2 LEU 527 1HB LEU 527 13.010 6.286 -2.238 34 HB3 LEU 527 2HB LEU 527 13.916 5.785 -0.811 35 HG LEU 527 HG LEU 527 15.194 5.239 -3.418 36 HD11 LEU 527 1HD1 LEU 527 14.912 8.043 -2.347 37 HD12 LEU 527 2HD1 LEU 527 14.228 7.430 -3.852 38 HD13 LEU 527 3HD1 LEU 527 15.977 7.541 -3.661 39 HD21 LEU 527 3HD2 LEU 527 16.401 6.648 -1.078 40 HD22 LEU 527 1HD2 LEU 527 17.147 5.541 -2.230 41 HD23 LEU 527 2HD2 LEU 527 16.064 4.919 -0.983 42 H SER 528 H SER 528 12.792 4.700 0.409 43 HA SER 528 HA SER 528 10.285 3.327 0.642 44 HB2 SER 528 1HB SER 528 10.300 4.449 2.953 45 HB3 SER 528 2HB SER 528 11.601 3.309 2.603 46 HG SER 528 HG SER 528 12.098 5.518 3.539 47 HA PRO 529 HA PRO 529 7.445 6.533 -0.310 48 HB2 PRO 529 1HB PRO 529 5.460 6.059 1.480 49 HB3 PRO 529 2HB PRO 529 5.767 5.015 0.089 50 HG2 PRO 529 1HG PRO 529 6.591 4.656 2.945 51 HG3 PRO 529 2HG PRO 529 5.941 3.459 1.809 52 HD2 PRO 529 1HD PRO 529 8.583 3.650 2.371 53 HD3 PRO 529 2HD PRO 529 7.979 3.143 0.781 54 H GLU 530 H GLU 530 7.527 8.642 0.115 55 HA GLU 530 HA GLU 530 7.545 9.531 2.915 56 HB2 GLU 530 1HB GLU 530 9.269 10.769 0.769 57 HB3 GLU 530 2HB GLU 530 9.261 11.155 2.485 58 HG2 GLU 530 1HG GLU 530 9.807 8.471 2.480 59 HG3 GLU 530 2HG GLU 530 10.655 9.045 1.046 60 H GLY 531 H GLY 531 5.515 10.357 2.981 61 HA2 GLY 531 1HA GLY 531 4.341 11.809 0.820 62 HA3 GLY 531 2HA GLY 531 3.694 11.663 2.447 63 H SER 532 H SER 532 3.289 13.652 3.155 64 HA SER 532 HA SER 532 5.469 15.618 3.049 65 HB2 SER 532 1HB SER 532 3.930 17.403 2.482 66 HB3 SER 532 2HB SER 532 3.792 16.128 1.272 67 HG SER 532 HG SER 532 1.904 17.124 2.913 68 H GLY 533 H GLY 533 2.254 14.945 4.437 69 HA2 GLY 533 1HA GLY 533 3.329 15.685 7.068 70 HA3 GLY 533 2HA GLY 533 1.873 16.488 6.495 71 H ASN 534 H ASN 534 0.067 15.671 7.293 72 HA ASN 534 HA ASN 534 -0.025 13.228 8.712 73 HB2 ASN 534 1HB ASN 534 -2.138 15.144 7.748 74 HB3 ASN 534 2HB ASN 534 -2.566 13.647 8.572 75 HD21 ASN 534 2HD2 ASN 534 -0.823 16.675 8.884 76 HD22 ASN 534 1HD2 ASN 534 -0.875 16.742 10.609 77 H LEU 535 H LEU 535 -0.547 14.048 5.392 78 HA LEU 535 HA LEU 535 -2.051 11.709 4.712 79 HB2 LEU 535 1HB LEU 535 -0.538 13.698 3.032 80 HB3 LEU 535 2HB LEU 535 -1.498 12.379 2.365 81 HG LEU 535 HG LEU 535 -2.845 14.298 2.198 82 HD11 LEU 535 1HD1 LEU 535 -3.683 12.874 4.721 83 HD12 LEU 535 2HD1 LEU 535 -4.008 12.328 3.076 84 HD13 LEU 535 3HD1 LEU 535 -4.722 13.828 3.664 85 HD21 LEU 535 3HD2 LEU 535 -2.910 16.042 3.640 86 HD22 LEU 535 1HD2 LEU 535 -1.338 15.399 4.115 87 HD23 LEU 535 2HD2 LEU 535 -2.772 15.014 5.066 88 H ALA 536 H ALA 536 1.267 12.404 5.196 89 HA ALA 536 HA ALA 536 2.428 10.470 3.495 90 HB1 ALA 536 1HB ALA 536 4.444 10.868 4.632 91 HB2 ALA 536 2HB ALA 536 3.578 12.404 4.685 92 HB3 ALA 536 3HB ALA 536 3.613 11.361 6.107 93 H VAL 537 H VAL 537 1.137 10.319 6.762 94 HA VAL 537 HA VAL 537 2.151 7.875 7.599 95 HB VAL 537 HB VAL 537 -0.639 8.871 8.181 96 HG11 VAL 537 1HG1 VAL 537 -0.129 7.727 10.393 97 HG12 VAL 537 2HG1 VAL 537 -0.409 6.677 9.003 98 HG13 VAL 537 3HG1 VAL 537 1.236 6.975 9.568 99 HG21 VAL 537 3HG2 VAL 537 0.737 10.710 8.679 100 HG22 VAL 537 1HG2 VAL 537 0.515 9.881 10.221 101 HG23 VAL 537 2HG2 VAL 537 2.020 9.685 9.323 102 H ILE 538 H ILE 538 -0.217 8.567 5.189 103 HA ILE 538 HA ILE 538 -1.663 6.169 5.160 104 HB ILE 538 HB ILE 538 -0.951 7.859 2.761 105 HG12 ILE 538 1HG1 ILE 538 -3.366 8.093 4.565 106 HG13 ILE 538 2HG1 ILE 538 -1.956 9.142 4.670 107 HG21 ILE 538 1HG2 ILE 538 -2.999 5.742 3.286 108 HG22 ILE 538 2HG2 ILE 538 -3.288 6.991 2.076 109 HG23 ILE 538 3HG2 ILE 538 -1.899 5.916 1.920 110 HD11 ILE 538 3HD1 ILE 538 -2.492 9.505 2.110 111 HD12 ILE 538 1HD1 ILE 538 -4.110 9.049 2.641 112 HD13 ILE 538 2HD1 ILE 538 -3.298 10.431 3.376 113 H GLY 539 H GLY 539 1.069 7.102 3.051 114 HA2 GLY 539 1HA GLY 539 1.402 4.581 1.868 115 HA3 GLY 539 2HA GLY 539 2.638 5.828 1.963 116 H GLY 540 H GLY 540 2.952 5.988 4.735 117 HA2 GLY 540 1HA GLY 540 4.859 4.057 5.247 118 HA3 GLY 540 2HA GLY 540 4.028 4.973 6.495 119 H VAL 541 H VAL 541 1.482 4.064 6.380 120 HA VAL 541 HA VAL 541 1.739 1.467 7.578 121 HB VAL 541 HB VAL 541 -0.787 3.008 6.968 122 HG11 VAL 541 1HG1 VAL 541 -1.210 0.669 7.416 123 HG12 VAL 541 2HG1 VAL 541 -0.227 0.743 8.879 124 HG13 VAL 541 3HG1 VAL 541 -1.741 1.642 8.785 125 HG21 VAL 541 3HG2 VAL 541 1.294 3.407 8.972 126 HG22 VAL 541 1HG2 VAL 541 -0.008 4.481 8.459 127 HG23 VAL 541 2HG2 VAL 541 -0.318 3.234 9.665 128 H ALA 542 H ALA 542 -0.109 2.726 4.799 129 HA ALA 542 HA ALA 542 -1.194 0.378 3.867 130 HB1 ALA 542 1HB ALA 542 -1.669 1.490 1.916 131 HB2 ALA 542 2HB ALA 542 -1.367 2.846 3.005 132 HB3 ALA 542 3HB ALA 542 -0.113 2.319 1.882 133 H VAL 543 H VAL 543 1.839 1.816 2.648 134 HA VAL 543 HA VAL 543 2.632 -0.349 1.087 135 HB VAL 543 HB VAL 543 4.361 1.681 2.504 136 HG11 VAL 543 1HG1 VAL 543 5.613 0.778 0.162 137 HG12 VAL 543 2HG1 VAL 543 6.115 0.496 1.830 138 HG13 VAL 543 3HG1 VAL 543 5.071 -0.668 1.014 139 HG21 VAL 543 3HG2 VAL 543 3.227 3.011 1.062 140 HG22 VAL 543 1HG2 VAL 543 4.416 2.389 -0.081 141 HG23 VAL 543 2HG2 VAL 543 2.805 1.677 -0.010 142 H GLY 544 H GLY 544 3.519 0.436 4.445 143 HA2 GLY 544 1HA GLY 544 5.270 -1.639 4.956 144 HA3 GLY 544 2HA GLY 544 4.218 -0.917 6.164 145 H VAL 545 H VAL 545 1.747 -1.708 4.929 146 HA VAL 545 HA VAL 545 1.486 -4.296 6.066 147 HB VAL 545 HB VAL 545 -0.432 -2.780 4.290 148 HG11 VAL 545 1HG1 VAL 545 -0.599 -5.390 5.683 149 HG12 VAL 545 2HG1 VAL 545 -2.026 -4.353 5.727 150 HG13 VAL 545 3HG1 VAL 545 -1.349 -4.857 4.179 151 HG21 VAL 545 3HG2 VAL 545 -1.075 -1.599 6.075 152 HG22 VAL 545 1HG2 VAL 545 -1.065 -3.020 7.121 153 HG23 VAL 545 2HG2 VAL 545 0.430 -2.132 6.824 154 H VAL 546 H VAL 546 1.647 -3.102 2.740 155 HA VAL 546 HA VAL 546 1.040 -5.446 1.378 156 HB VAL 546 HB VAL 546 3.101 -3.429 0.489 157 HG11 VAL 546 1HG1 VAL 546 1.338 -5.382 -0.974 158 HG12 VAL 546 2HG1 VAL 546 2.187 -4.057 -1.772 159 HG13 VAL 546 3HG1 VAL 546 3.100 -5.320 -0.946 160 HG21 VAL 546 3HG2 VAL 546 0.315 -3.054 1.045 161 HG22 VAL 546 1HG2 VAL 546 1.504 -1.886 0.470 162 HG23 VAL 546 2HG2 VAL 546 0.606 -2.871 -0.685 163 H LEU 547 H LEU 547 4.253 -4.238 2.337 164 HA LEU 547 HA LEU 547 5.751 -6.385 1.388 165 HB2 LEU 547 1HB LEU 547 6.319 -4.714 3.831 166 HB3 LEU 547 2HB LEU 547 7.491 -5.657 2.914 167 HG LEU 547 HG LEU 547 5.973 -3.359 1.705 168 HD11 LEU 547 1HD1 LEU 547 7.080 -2.250 3.410 169 HD12 LEU 547 2HD1 LEU 547 8.238 -2.170 2.084 170 HD13 LEU 547 3HD1 LEU 547 8.456 -3.352 3.373 171 HD21 LEU 547 3HD2 LEU 547 7.199 -3.723 -0.129 172 HD22 LEU 547 1HD2 LEU 547 7.515 -5.313 0.565 173 HD23 LEU 547 2HD2 LEU 547 8.674 -4.004 0.800 174 H LEU 548 H LEU 548 4.352 -5.868 4.616 175 HA LEU 548 HA LEU 548 5.291 -8.205 5.817 176 HB2 LEU 548 1HB LEU 548 4.077 -6.180 6.837 177 HB3 LEU 548 2HB LEU 548 2.596 -7.037 6.419 178 HG LEU 548 HG LEU 548 3.272 -7.318 8.783 179 HD11 LEU 548 1HD1 LEU 548 3.601 -10.043 7.762 180 HD12 LEU 548 2HD1 LEU 548 2.239 -9.164 7.072 181 HD13 LEU 548 3HD1 LEU 548 2.363 -9.364 8.819 182 HD21 LEU 548 3HD2 LEU 548 5.274 -8.128 9.445 183 HD22 LEU 548 1HD2 LEU 548 5.801 -7.479 7.891 184 HD23 LEU 548 2HD2 LEU 548 5.428 -9.195 8.048 185 H LEU 549 H LEU 549 2.434 -7.629 3.835 186 HA LEU 549 HA LEU 549 1.142 -10.079 4.245 187 HB2 LEU 549 1HB LEU 549 0.339 -7.951 3.038 188 HB3 LEU 549 2HB LEU 549 1.120 -8.638 1.615 189 HG LEU 549 HG LEU 549 -1.073 -10.005 3.171 190 HD11 LEU 549 1HD1 LEU 549 -1.474 -8.815 0.471 191 HD12 LEU 549 2HD1 LEU 549 -1.565 -7.773 1.891 192 HD13 LEU 549 3HD1 LEU 549 -2.648 -9.156 1.742 193 HD21 LEU 549 3HD2 LEU 549 0.560 -10.679 0.785 194 HD22 LEU 549 1HD2 LEU 549 -1.145 -11.131 0.774 195 HD23 LEU 549 2HD2 LEU 549 -0.085 -11.725 2.052 196 H VAL 550 H VAL 550 3.659 -9.135 1.955 197 HA VAL 550 HA VAL 550 3.681 -11.478 0.409 198 HB VAL 550 HB VAL 550 5.977 -9.615 1.032 199 HG11 VAL 550 1HG1 VAL 550 6.756 -11.766 0.182 200 HG12 VAL 550 2HG1 VAL 550 5.656 -11.630 -1.192 201 HG13 VAL 550 3HG1 VAL 550 6.991 -10.491 -1.013 202 HG21 VAL 550 3HG2 VAL 550 4.907 -8.139 -0.238 203 HG22 VAL 550 1HG2 VAL 550 5.020 -9.266 -1.589 204 HG23 VAL 550 2HG2 VAL 550 3.604 -9.288 -0.539 205 H LEU 551 H LEU 551 5.886 -10.544 3.058 206 HA LEU 551 HA LEU 551 7.317 -12.893 3.253 207 HB2 LEU 551 1HB LEU 551 6.534 -10.820 5.261 208 HB3 LEU 551 2HB LEU 551 7.430 -12.250 5.768 209 HG LEU 551 HG LEU 551 8.943 -10.396 5.438 210 HD11 LEU 551 1HD1 LEU 551 9.375 -12.860 4.573 211 HD12 LEU 551 2HD1 LEU 551 10.557 -11.570 4.346 212 HD13 LEU 551 3HD1 LEU 551 9.485 -12.030 3.021 213 HD21 LEU 551 3HD2 LEU 551 9.231 -9.341 3.263 214 HD22 LEU 551 1HD2 LEU 551 7.584 -9.114 3.856 215 HD23 LEU 551 2HD2 LEU 551 7.913 -10.312 2.604 216 H ALA 552 H ALA 552 4.186 -12.096 4.675 217 HA ALA 552 HA ALA 552 3.906 -14.385 6.286 218 HB1 ALA 552 1HB ALA 552 2.017 -12.386 5.136 219 HB2 ALA 552 2HB ALA 552 1.374 -13.850 5.880 220 HB3 ALA 552 3HB ALA 552 2.384 -12.753 6.822 221 H GLY 553 H GLY 553 2.013 -13.771 3.326 222 HA2 GLY 553 1HA GLY 553 1.200 -16.377 2.895 223 HA3 GLY 553 2HA GLY 553 1.371 -15.175 1.625 224 H VAL 554 H VAL 554 3.903 -14.772 1.208 225 HA VAL 554 HA VAL 554 4.825 -17.085 -0.086 226 HB VAL 554 HB VAL 554 6.542 -14.734 0.704 227 HG11 VAL 554 1HG1 VAL 554 7.691 -15.300 -1.440 228 HG12 VAL 554 2HG1 VAL 554 7.827 -16.542 -0.194 229 HG13 VAL 554 3HG1 VAL 554 6.694 -16.752 -1.529 230 HG21 VAL 554 3HG2 VAL 554 4.232 -14.833 -1.035 231 HG22 VAL 554 1HG2 VAL 554 5.174 -13.446 -0.489 232 HG23 VAL 554 2HG2 VAL 554 5.684 -14.353 -1.912 233 H GLY 555 H GLY 555 5.051 -16.132 3.175 234 HA2 GLY 555 1HA GLY 555 7.520 -17.392 3.842 235 HA3 GLY 555 2HA GLY 555 6.261 -16.912 4.970 236 H PHE 556 H PHE 556 4.132 -18.404 4.268 237 HA PHE 556 HA PHE 556 5.030 -21.083 4.987 238 HB2 PHE 556 1HB PHE 556 3.307 -20.381 6.413 239 HB3 PHE 556 2HB PHE 556 2.386 -19.662 5.095 240 HD1 PHE 556 2HD PHE 556 1.039 -21.050 3.615 241 HD2 PHE 556 1HD PHE 556 3.162 -22.723 6.904 242 HE1 PHE 556 2HE PHE 556 -0.307 -23.103 3.436 243 HE2 PHE 556 1HE PHE 556 1.821 -24.779 6.728 244 HZ PHE 556 HZ PHE 556 0.083 -24.970 4.993 245 H PHE 557 H PHE 557 3.582 -19.352 2.350 246 HA PHE 557 HA PHE 557 2.573 -21.609 0.943 247 HB2 PHE 557 1HB PHE 557 1.780 -19.304 0.533 248 HB3 PHE 557 2HB PHE 557 3.359 -18.889 -0.125 249 HD1 PHE 557 1HD PHE 557 1.595 -22.075 -0.700 250 HD2 PHE 557 2HD PHE 557 2.687 -18.288 -2.307 251 HE1 PHE 557 1HE PHE 557 0.854 -22.811 -2.929 252 HE2 PHE 557 2HE PHE 557 1.949 -19.017 -4.538 253 HZ PHE 557 HZ PHE 557 1.030 -21.281 -4.850 254 H ILE 558 H ILE 558 5.688 -20.649 1.604 255 HA ILE 558 HA ILE 558 6.772 -21.815 -0.866 256 HB ILE 558 HB ILE 558 7.579 -19.546 -0.084 257 HG12 ILE 558 1HG1 ILE 558 10.012 -21.200 -0.081 258 HG13 ILE 558 2HG1 ILE 558 8.882 -21.582 -1.376 259 HG21 ILE 558 1HG2 ILE 558 7.755 -20.678 2.356 260 HG22 ILE 558 2HG2 ILE 558 9.427 -20.830 1.817 261 HG23 ILE 558 3HG2 ILE 558 8.658 -19.243 1.874 262 HD11 ILE 558 3HD1 ILE 558 10.429 -19.983 -2.199 263 HD12 ILE 558 1HD1 ILE 558 8.884 -19.163 -1.979 264 HD13 ILE 558 2HD1 ILE 558 10.179 -18.934 -0.804 265 H HIS 559 H HIS 559 6.365 -22.373 2.504 266 HA HIS 559 HA HIS 559 7.740 -24.938 2.232 267 HB2 HIS 559 1HB HIS 559 8.289 -22.902 4.392 268 HB3 HIS 559 2HB HIS 559 8.724 -24.602 4.543 269 HD1 HIS 559 1HD HIS 559 10.432 -21.717 4.029 270 HD2 HIS 559 2HD HIS 559 10.153 -25.163 1.725 271 HE1 HIS 559 1HE HIS 559 12.486 -21.723 2.576 272 H ARG 560 H ARG 560 5.031 -24.594 2.132 273 HA ARG 560 HA ARG 560 3.634 -24.668 4.541 274 HB2 ARG 560 1HB ARG 560 1.915 -25.986 3.200 275 HB3 ARG 560 2HB ARG 560 2.366 -24.408 2.568 276 HG2 ARG 560 1HG ARG 560 4.046 -26.514 1.508 277 HG3 ARG 560 2HG ARG 560 2.337 -26.800 1.184 278 HD2 ARG 560 1HD ARG 560 2.219 -25.113 -0.284 279 HD3 ARG 560 2HD ARG 560 3.157 -24.034 0.746 280 HE ARG 560 HE ARG 560 5.044 -25.690 -0.198 281 HH11 ARG 560 1HH1 ARG 560 2.499 -23.917 -1.778 282 HH12 ARG 560 2HH1 ARG 560 3.374 -23.727 -3.261 283 HH21 ARG 560 1HH2 ARG 560 6.207 -25.446 -2.145 284 HH22 ARG 560 2HH2 ARG 560 5.483 -24.597 -3.468 285 H ARG 561 H ARG 561 5.589 -27.074 3.005 286 HA ARG 561 HA ARG 561 5.256 -28.821 5.300 287 HB2 ARG 561 1HB ARG 561 4.535 -29.636 2.489 288 HB3 ARG 561 2HB ARG 561 4.971 -30.813 3.723 289 HG2 ARG 561 1HG ARG 561 3.117 -29.719 5.126 290 HG3 ARG 561 2HG ARG 561 2.581 -29.015 3.600 291 HD2 ARG 561 1HD ARG 561 3.066 -31.740 3.099 292 HD3 ARG 561 2HD ARG 561 2.180 -31.665 4.620 293 HE ARG 561 HE ARG 561 0.983 -29.993 2.668 294 HH11 ARG 561 1HH1 ARG 561 1.341 -33.329 3.598 295 HH12 ARG 561 2HH1 ARG 561 -0.156 -33.826 2.881 296 HH21 ARG 561 1HH2 ARG 561 -0.992 -30.635 1.720 297 HH22 ARG 561 2HH2 ARG 561 -1.481 -32.293 1.813 298 H ARG 562 H ARG 562 7.452 -27.361 4.787 299 HA ARG 562 HA ARG 562 9.415 -28.299 3.107 300 HB2 ARG 562 1HB ARG 562 11.045 -27.442 4.780 301 HB3 ARG 562 2HB ARG 562 9.755 -26.305 4.411 302 HG2 ARG 562 1HG ARG 562 9.539 -26.094 6.617 303 HG3 ARG 562 2HG ARG 562 8.745 -27.671 6.562 304 HD2 ARG 562 1HD ARG 562 11.439 -28.290 6.587 305 HD3 ARG 562 2HD ARG 562 11.317 -26.914 7.683 306 HE ARG 562 HE ARG 562 9.288 -28.569 8.445 307 HH11 ARG 562 1HH1 ARG 562 12.728 -28.922 8.046 308 HH12 ARG 562 2HH1 ARG 562 12.880 -30.127 9.283 309 HH21 ARG 562 1HH2 ARG 562 9.474 -30.154 10.075 310 HH22 ARG 562 2HH2 ARG 562 11.028 -30.828 10.436 311 H LYS 563 H LYS 563 10.795 -29.990 3.050 312 HA LYS 563 HA LYS 563 10.173 -32.337 4.498 313 HB2 LYS 563 1HB LYS 563 12.553 -31.613 2.784 314 HB3 LYS 563 2HB LYS 563 12.296 -33.215 3.458 315 HG2 LYS 563 1HG LYS 563 10.044 -33.174 2.268 316 HG3 LYS 563 2HG LYS 563 10.670 -31.778 1.389 317 HD2 LYS 563 1HD LYS 563 12.728 -33.557 1.159 318 HD3 LYS 563 2HD LYS 563 11.321 -34.623 1.123 319 HE2 LYS 563 1HE LYS 563 10.431 -32.799 -0.570 320 HE3 LYS 563 2HE LYS 563 12.154 -32.498 -0.787 321 HZ1 LYS 563 3HZ LYS 563 10.573 -34.625 -1.792 322 HZ2 LYS 563 1HZ LYS 563 11.857 -35.235 -0.874 323 HZ3 LYS 563 2HZ LYS 563 12.165 -34.204 -2.178 324 H1 GLU 523 H GLU 523 -22.050 -0.688 -8.408 325 HA GLU 523 HA GLU 523 -21.514 0.385 -10.990 326 HB2 GLU 523 1HB GLU 523 -24.127 0.871 -9.831 327 HB3 GLU 523 2HB GLU 523 -23.249 2.373 -10.076 328 HG2 GLU 523 1HG GLU 523 -24.162 2.254 -12.120 329 HG3 GLU 523 2HG GLU 523 -22.791 1.193 -12.439 330 H PHE 524 H PHE 524 -19.513 0.944 -10.278 331 HA PHE 524 HA PHE 524 -19.397 2.960 -8.131 332 HB2 PHE 524 1HB PHE 524 -17.641 0.594 -8.675 333 HB3 PHE 524 2HB PHE 524 -16.949 2.026 -7.918 334 HD1 PHE 524 1HD PHE 524 -19.697 -0.446 -7.568 335 HD2 PHE 524 2HD PHE 524 -17.148 2.358 -5.629 336 HE1 PHE 524 1HE PHE 524 -20.530 -1.206 -5.381 337 HE2 PHE 524 2HE PHE 524 -17.975 1.602 -3.439 338 HZ PHE 524 HZ PHE 524 -19.669 -0.183 -3.312 339 H GLN 525 H GLN 525 -18.573 4.865 -8.695 340 HA GLN 525 HA GLN 525 -16.719 5.015 -10.958 341 HB2 GLN 525 1HB GLN 525 -19.077 6.874 -10.634 342 HB3 GLN 525 2HB GLN 525 -17.901 6.880 -11.942 343 HG2 GLN 525 1HG GLN 525 -18.774 4.387 -12.213 344 HG3 GLN 525 2HG GLN 525 -20.208 5.091 -11.467 345 HE21 GLN 525 2HE2 GLN 525 -18.022 5.278 -14.197 346 HE22 GLN 525 1HE2 GLN 525 -19.110 6.099 -15.257 347 H THR 526 H THR 526 -15.110 6.482 -10.724 348 HA THR 526 HA THR 526 -15.305 8.582 -8.729 349 HB THR 526 HB THR 526 -13.011 7.831 -7.797 350 HG1 THR 526 1HG THR 526 -12.408 6.085 -8.901 351 HG21 THR 526 3HG2 THR 526 -14.053 6.777 -5.987 352 HG22 THR 526 1HG2 THR 526 -15.289 6.043 -7.004 353 HG23 THR 526 2HG2 THR 526 -15.331 7.776 -6.677 354 H LEU 527 H LEU 527 -14.968 10.121 -10.282 355 HA LEU 527 HA LEU 527 -12.314 10.097 -11.557 356 HB2 LEU 527 1HB LEU 527 -13.390 11.362 -13.446 357 HB3 LEU 527 2HB LEU 527 -13.811 9.655 -13.318 358 HG LEU 527 HG LEU 527 -15.639 11.622 -12.048 359 HD11 LEU 527 1HD1 LEU 527 -16.306 12.655 -13.903 360 HD12 LEU 527 2HD1 LEU 527 -16.316 11.155 -14.828 361 HD13 LEU 527 3HD1 LEU 527 -14.819 12.069 -14.651 362 HD21 LEU 527 3HD2 LEU 527 -16.552 9.426 -13.797 363 HD22 LEU 527 1HD2 LEU 527 -17.156 9.957 -12.228 364 HD23 LEU 527 2HD2 LEU 527 -15.707 8.955 -12.323 365 H SER 528 H SER 528 -13.111 11.300 -9.057 366 HA SER 528 HA SER 528 -12.548 14.108 -9.725 367 HB2 SER 528 1HB SER 528 -14.403 13.250 -7.495 368 HB3 SER 528 2HB SER 528 -14.067 14.897 -8.028 369 HG SER 528 HG SER 528 -15.605 14.657 -9.422 370 HA PRO 529 HA PRO 529 -9.288 13.848 -6.798 371 HB2 PRO 529 1HB PRO 529 -9.211 16.400 -5.877 372 HB3 PRO 529 2HB PRO 529 -8.660 15.946 -7.493 373 HG2 PRO 529 1HG PRO 529 -11.268 17.149 -6.648 374 HG3 PRO 529 2HG PRO 529 -10.250 17.553 -8.042 375 HD2 PRO 529 1HD PRO 529 -12.459 16.001 -8.252 376 HD3 PRO 529 2HD PRO 529 -11.033 15.779 -9.287 377 H GLU 530 H GLU 530 -8.926 13.456 -4.655 378 HA GLU 530 HA GLU 530 -10.898 14.330 -2.687 379 HB2 GLU 530 1HB GLU 530 -11.340 12.155 -1.838 380 HB3 GLU 530 2HB GLU 530 -11.574 12.066 -3.578 381 HG2 GLU 530 1HG GLU 530 -9.147 11.234 -3.655 382 HG3 GLU 530 2HG GLU 530 -9.339 10.960 -1.924 383 H GLY 531 H GLY 531 -9.980 12.757 -0.559 384 HA2 GLY 531 1HA GLY 531 -8.336 12.681 1.041 385 HA3 GLY 531 2HA GLY 531 -7.174 12.737 -0.274 386 H SER 532 H SER 532 -5.827 14.395 -0.193 387 HA SER 532 HA SER 532 -6.811 16.963 0.850 388 HB2 SER 532 1HB SER 532 -4.156 15.660 1.500 389 HB3 SER 532 2HB SER 532 -4.609 17.304 1.949 390 HG SER 532 HG SER 532 -6.444 16.284 3.050 391 H GLY 533 H GLY 533 -3.953 15.509 -0.727 392 HA2 GLY 533 1HA GLY 533 -4.201 17.451 -2.894 393 HA3 GLY 533 2HA GLY 533 -2.727 17.521 -1.939 394 H ASN 534 H ASN 534 -1.075 16.506 -2.835 395 HA ASN 534 HA ASN 534 -1.558 14.463 -4.850 396 HB2 ASN 534 1HB ASN 534 0.908 15.965 -3.975 397 HB3 ASN 534 2HB ASN 534 0.978 14.623 -5.114 398 HD21 ASN 534 2HD2 ASN 534 0.373 17.929 -4.688 399 HD22 ASN 534 1HD2 ASN 534 -0.124 18.292 -6.302 400 H LEU 535 H LEU 535 -0.859 14.639 -1.546 401 HA LEU 535 HA LEU 535 0.694 12.238 -1.329 402 HB2 LEU 535 1HB LEU 535 -0.821 13.844 0.722 403 HB3 LEU 535 2HB LEU 535 0.203 12.461 1.103 404 HG LEU 535 HG LEU 535 1.509 14.343 1.591 405 HD11 LEU 535 1HD1 LEU 535 2.308 13.609 -1.218 406 HD12 LEU 535 2HD1 LEU 535 2.622 12.603 0.195 407 HD13 LEU 535 3HD1 LEU 535 3.350 14.205 0.075 408 HD21 LEU 535 3HD2 LEU 535 -0.069 15.862 0.230 409 HD22 LEU 535 1HD2 LEU 535 1.040 15.559 -1.105 410 HD23 LEU 535 2HD2 LEU 535 1.629 16.320 0.373 411 H ALA 536 H ALA 536 -2.637 12.965 -1.635 412 HA ALA 536 HA ALA 536 -3.760 10.751 -0.293 413 HB1 ALA 536 1HB ALA 536 -5.790 11.317 -1.323 414 HB2 ALA 536 2HB ALA 536 -4.937 12.848 -1.134 415 HB3 ALA 536 3HB ALA 536 -4.982 12.052 -2.707 416 H VAL 537 H VAL 537 -2.500 11.181 -3.546 417 HA VAL 537 HA VAL 537 -3.490 8.902 -4.783 418 HB VAL 537 HB VAL 537 -0.716 10.020 -5.198 419 HG11 VAL 537 1HG1 VAL 537 -1.215 9.259 -7.570 420 HG12 VAL 537 2HG1 VAL 537 -0.923 7.989 -6.378 421 HG13 VAL 537 3HG1 VAL 537 -2.572 8.363 -6.886 422 HG21 VAL 537 3HG2 VAL 537 -1.736 11.937 -5.728 423 HG22 VAL 537 1HG2 VAL 537 -2.335 11.089 -7.153 424 HG23 VAL 537 2HG2 VAL 537 -3.334 11.191 -5.705 425 H ILE 538 H ILE 538 -1.096 9.202 -2.315 426 HA ILE 538 HA ILE 538 0.372 6.853 -2.699 427 HB ILE 538 HB ILE 538 -0.348 8.100 -0.044 428 HG12 ILE 538 1HG1 ILE 538 2.063 8.653 -1.783 429 HG13 ILE 538 2HG1 ILE 538 0.644 9.694 -1.711 430 HG21 ILE 538 1HG2 ILE 538 0.616 6.058 0.467 431 HG22 ILE 538 2HG2 ILE 538 1.700 6.107 -0.922 432 HG23 ILE 538 3HG2 ILE 538 2.006 7.145 0.470 433 HD11 ILE 538 3HD1 ILE 538 1.178 9.624 0.875 434 HD12 ILE 538 1HD1 ILE 538 2.800 9.277 0.275 435 HD13 ILE 538 2HD1 ILE 538 1.975 10.758 -0.216 436 H GLY 539 H GLY 539 -2.358 7.369 -0.449 437 HA2 GLY 539 1HA GLY 539 -2.654 4.674 0.272 438 HA3 GLY 539 2HA GLY 539 -3.900 5.904 0.413 439 H GLY 540 H GLY 540 -4.216 6.548 -2.301 440 HA2 GLY 540 1HA GLY 540 -6.128 4.736 -3.129 441 HA3 GLY 540 2HA GLY 540 -5.299 5.852 -4.204 442 H VAL 541 H VAL 541 -2.767 4.951 -4.295 443 HA VAL 541 HA VAL 541 -3.032 2.584 -5.895 444 HB VAL 541 HB VAL 541 -0.516 4.043 -5.077 445 HG11 VAL 541 1HG1 VAL 541 0.186 2.975 -7.361 446 HG12 VAL 541 2HG1 VAL 541 0.256 2.026 -5.873 447 HG13 VAL 541 3HG1 VAL 541 -1.098 1.827 -6.987 448 HG21 VAL 541 3HG2 VAL 541 -1.523 5.691 -6.271 449 HG22 VAL 541 1HG2 VAL 541 -0.871 4.765 -7.622 450 HG23 VAL 541 2HG2 VAL 541 -2.560 4.570 -7.154 451 H ALA 542 H ALA 542 -1.163 3.378 -2.965 452 HA ALA 542 HA ALA 542 -0.043 0.920 -2.448 453 HB1 ALA 542 1HB ALA 542 -1.135 2.515 -0.173 454 HB2 ALA 542 2HB ALA 542 0.413 1.682 -0.321 455 HB3 ALA 542 3HB ALA 542 0.140 3.195 -1.187 456 H VAL 543 H VAL 543 -3.089 2.096 -0.996 457 HA VAL 543 HA VAL 543 -3.845 -0.299 0.200 458 HB VAL 543 HB VAL 543 -5.613 1.894 -0.890 459 HG11 VAL 543 1HG1 VAL 543 -6.835 0.616 1.290 460 HG12 VAL 543 2HG1 VAL 543 -7.346 0.593 -0.399 461 HG13 VAL 543 3HG1 VAL 543 -6.278 -0.669 0.217 462 HG21 VAL 543 3HG2 VAL 543 -5.083 1.534 2.007 463 HG22 VAL 543 1HG2 VAL 543 -3.786 2.205 1.016 464 HG23 VAL 543 2HG2 VAL 543 -5.355 3.008 1.078 465 H GLY 544 H GLY 544 -4.771 0.989 -2.991 466 HA2 GLY 544 1HA GLY 544 -6.473 -1.023 -3.818 467 HA3 GLY 544 2HA GLY 544 -5.449 -0.092 -4.901 468 H VAL 545 H VAL 545 -2.947 -0.999 -3.835 469 HA VAL 545 HA VAL 545 -2.627 -3.363 -5.368 470 HB VAL 545 HB VAL 545 -0.740 -2.116 -3.364 471 HG11 VAL 545 1HG1 VAL 545 0.688 -3.484 -5.339 472 HG12 VAL 545 2HG1 VAL 545 0.511 -3.933 -3.642 473 HG13 VAL 545 3HG1 VAL 545 -0.604 -4.578 -4.848 474 HG21 VAL 545 3HG2 VAL 545 -0.131 -0.638 -4.927 475 HG22 VAL 545 1HG2 VAL 545 -0.118 -1.862 -6.198 476 HG23 VAL 545 2HG2 VAL 545 -1.629 -1.071 -5.749 477 H VAL 546 H VAL 546 -2.835 -2.736 -1.896 478 HA VAL 546 HA VAL 546 -2.161 -5.263 -0.941 479 HB VAL 546 HB VAL 546 -4.253 -3.462 0.280 480 HG11 VAL 546 1HG1 VAL 546 -4.195 -5.566 1.382 481 HG12 VAL 546 2HG1 VAL 546 -2.431 -5.584 1.393 482 HG13 VAL 546 3HG1 VAL 546 -3.309 -4.433 2.400 483 HG21 VAL 546 3HG2 VAL 546 -1.770 -3.039 1.520 484 HG22 VAL 546 1HG2 VAL 546 -1.475 -2.947 -0.217 485 HG23 VAL 546 2HG2 VAL 546 -2.686 -1.905 0.528 486 H LEU 547 H LEU 547 -5.377 -3.970 -1.752 487 HA LEU 547 HA LEU 547 -6.855 -6.258 -1.138 488 HB2 LEU 547 1HB LEU 547 -7.297 -3.977 -3.030 489 HB3 LEU 547 2HB LEU 547 -8.451 -5.305 -2.927 490 HG LEU 547 HG LEU 547 -7.658 -3.563 -0.595 491 HD11 LEU 547 1HD1 LEU 547 -10.060 -3.409 -2.409 492 HD12 LEU 547 2HD1 LEU 547 -8.787 -2.203 -2.234 493 HD13 LEU 547 3HD1 LEU 547 -9.879 -2.531 -0.890 494 HD21 LEU 547 3HD2 LEU 547 -9.621 -5.788 -0.999 495 HD22 LEU 547 1HD2 LEU 547 -9.904 -4.546 0.222 496 HD23 LEU 547 2HD2 LEU 547 -8.455 -5.549 0.303 497 H LEU 548 H LEU 548 -5.388 -5.251 -4.211 498 HA LEU 548 HA LEU 548 -6.301 -7.378 -5.779 499 HB2 LEU 548 1HB LEU 548 -5.093 -5.211 -6.456 500 HB3 LEU 548 2HB LEU 548 -3.609 -6.110 -6.149 501 HG LEU 548 HG LEU 548 -4.242 -6.034 -8.539 502 HD11 LEU 548 1HD1 LEU 548 -3.330 -8.053 -8.877 503 HD12 LEU 548 2HD1 LEU 548 -4.573 -8.884 -7.942 504 HD13 LEU 548 3HD1 LEU 548 -3.220 -8.111 -7.117 505 HD21 LEU 548 3HD2 LEU 548 -6.785 -6.333 -7.734 506 HD22 LEU 548 1HD2 LEU 548 -6.401 -8.007 -8.135 507 HD23 LEU 548 2HD2 LEU 548 -6.226 -6.745 -9.355 508 H LEU 549 H LEU 549 -3.472 -7.088 -3.695 509 HA LEU 549 HA LEU 549 -2.160 -9.444 -4.453 510 HB2 LEU 549 1HB LEU 549 -1.374 -7.511 -2.943 511 HB3 LEU 549 2HB LEU 549 -2.162 -8.400 -1.642 512 HG LEU 549 HG LEU 549 0.045 -9.524 -3.363 513 HD11 LEU 549 1HD1 LEU 549 0.426 -8.720 -0.520 514 HD12 LEU 549 2HD1 LEU 549 0.528 -7.494 -1.783 515 HD13 LEU 549 3HD1 LEU 549 1.612 -8.886 -1.814 516 HD21 LEU 549 3HD2 LEU 549 0.111 -10.979 -1.150 517 HD22 LEU 549 1HD2 LEU 549 -0.946 -11.385 -2.501 518 HD23 LEU 549 2HD2 LEU 549 -1.595 -10.531 -1.102 519 H VAL 550 H VAL 550 -4.702 -8.855 -2.075 520 HA VAL 550 HA VAL 550 -4.719 -11.396 -0.880 521 HB VAL 550 HB VAL 550 -7.034 -9.489 -1.255 522 HG11 VAL 550 1HG1 VAL 550 -7.776 -11.749 -0.703 523 HG12 VAL 550 2HG1 VAL 550 -6.687 -11.773 0.685 524 HG13 VAL 550 3HG1 VAL 550 -8.042 -10.644 0.645 525 HG21 VAL 550 3HG2 VAL 550 -6.171 -9.395 1.379 526 HG22 VAL 550 1HG2 VAL 550 -4.682 -9.424 0.436 527 HG23 VAL 550 2HG2 VAL 550 -5.889 -8.174 0.137 528 H LEU 551 H LEU 551 -6.963 -10.114 -3.346 529 HA LEU 551 HA LEU 551 -8.326 -12.447 -3.898 530 HB2 LEU 551 1HB LEU 551 -7.644 -10.051 -5.554 531 HB3 LEU 551 2HB LEU 551 -8.506 -11.410 -6.273 532 HG LEU 551 HG LEU 551 -10.066 -9.682 -5.627 533 HD11 LEU 551 1HD1 LEU 551 -10.426 -12.258 -5.188 534 HD12 LEU 551 2HD1 LEU 551 -11.626 -11.063 -4.698 535 HD13 LEU 551 3HD1 LEU 551 -10.501 -11.720 -3.509 536 HD21 LEU 551 3HD2 LEU 551 -8.992 -10.029 -2.829 537 HD22 LEU 551 1HD2 LEU 551 -10.345 -9.003 -3.307 538 HD23 LEU 551 2HD2 LEU 551 -8.716 -8.634 -3.873 539 H ALA 552 H ALA 552 -5.258 -11.316 -5.236 540 HA ALA 552 HA ALA 552 -4.929 -13.291 -7.199 541 HB1 ALA 552 1HB ALA 552 -3.241 -11.299 -5.880 542 HB2 ALA 552 2HB ALA 552 -2.368 -12.727 -6.441 543 HB3 ALA 552 3HB ALA 552 -3.325 -11.776 -7.577 544 H GLY 553 H GLY 553 -2.976 -13.161 -4.223 545 HA2 GLY 553 1HA GLY 553 -2.135 -15.791 -4.254 546 HA3 GLY 553 2HA GLY 553 -2.278 -14.820 -2.798 547 H VAL 554 H VAL 554 -4.692 -14.573 -2.087 548 HA VAL 554 HA VAL 554 -5.593 -16.993 -1.144 549 HB VAL 554 HB VAL 554 -7.368 -14.629 -1.761 550 HG11 VAL 554 1HG1 VAL 554 -8.704 -15.458 0.121 551 HG12 VAL 554 2HG1 VAL 554 -8.595 -16.649 -1.177 552 HG13 VAL 554 3HG1 VAL 554 -7.618 -16.838 0.279 553 HG21 VAL 554 3HG2 VAL 554 -6.172 -13.470 -0.287 554 HG22 VAL 554 1HG2 VAL 554 -6.637 -14.639 0.949 555 HG23 VAL 554 2HG2 VAL 554 -5.144 -14.865 0.039 556 H GLY 555 H GLY 555 -6.452 -15.367 -4.156 557 HA2 GLY 555 1HA GLY 555 -8.615 -16.878 -4.975 558 HA3 GLY 555 2HA GLY 555 -7.432 -16.179 -6.070 559 H PHE 556 H PHE 556 -5.195 -17.548 -5.734 560 HA PHE 556 HA PHE 556 -5.887 -20.158 -6.767 561 HB2 PHE 556 1HB PHE 556 -4.147 -19.009 -7.935 562 HB3 PHE 556 2HB PHE 556 -3.264 -18.702 -6.444 563 HD1 PHE 556 1HD PHE 556 -4.291 -21.337 -8.816 564 HD2 PHE 556 2HD PHE 556 -1.735 -20.273 -5.583 565 HE1 PHE 556 1HE PHE 556 -2.996 -23.400 -9.166 566 HE2 PHE 556 2HE PHE 556 -0.436 -22.333 -5.928 567 HZ PHE 556 HZ PHE 556 -1.065 -23.900 -7.722 568 H PHE 557 H PHE 557 -5.056 -18.821 -3.760 569 HA PHE 557 HA PHE 557 -3.660 -20.985 -2.597 570 HB2 PHE 557 1HB PHE 557 -3.906 -18.577 -1.727 571 HB3 PHE 557 2HB PHE 557 -5.449 -19.107 -1.067 572 HD1 PHE 557 1HD PHE 557 -1.811 -19.817 -1.015 573 HD2 PHE 557 2HD PHE 557 -5.549 -20.219 0.981 574 HE1 PHE 557 1HE PHE 557 -0.651 -20.686 0.972 575 HE2 PHE 557 2HE PHE 557 -4.396 -21.088 2.972 576 HZ PHE 557 HZ PHE 557 -1.945 -21.322 2.972 577 H ILE 558 H ILE 558 -6.891 -20.649 -3.541 578 HA ILE 558 HA ILE 558 -8.014 -22.439 -1.574 579 HB ILE 558 HB ILE 558 -9.342 -20.623 -2.662 580 HG12 ILE 558 1HG1 ILE 558 -10.825 -23.041 -3.447 581 HG13 ILE 558 2HG1 ILE 558 -10.131 -23.108 -1.830 582 HG21 ILE 558 1HG2 ILE 558 -9.791 -22.312 -5.049 583 HG22 ILE 558 2HG2 ILE 558 -9.818 -20.558 -4.876 584 HG23 ILE 558 3HG2 ILE 558 -8.277 -21.410 -4.980 585 HD11 ILE 558 3HD1 ILE 558 -12.438 -21.676 -2.789 586 HD12 ILE 558 1HD1 ILE 558 -11.924 -22.013 -1.138 587 HD13 ILE 558 2HD1 ILE 558 -11.299 -20.597 -1.984 588 H HIS 559 H HIS 559 -6.702 -22.652 -4.802 589 HA HIS 559 HA HIS 559 -7.107 -25.567 -4.716 590 HB2 HIS 559 1HB HIS 559 -7.253 -25.469 -7.237 591 HB3 HIS 559 2HB HIS 559 -8.632 -24.790 -6.377 592 HD1 HIS 559 1HD HIS 559 -9.287 -22.473 -7.001 593 HD2 HIS 559 2HD HIS 559 -5.426 -23.397 -8.230 594 HE1 HIS 559 1HE HIS 559 -8.531 -20.510 -8.381 595 H ARG 560 H ARG 560 -4.841 -24.296 -3.723 596 HA ARG 560 HA ARG 560 -2.792 -24.493 -5.787 597 HB2 ARG 560 1HB ARG 560 -1.275 -23.590 -4.137 598 HB3 ARG 560 2HB ARG 560 -2.745 -22.626 -4.152 599 HG2 ARG 560 1HG ARG 560 -2.588 -22.840 -1.924 600 HG3 ARG 560 2HG ARG 560 -3.365 -24.396 -2.223 601 HD2 ARG 560 1HD ARG 560 -0.772 -25.052 -2.606 602 HD3 ARG 560 2HD ARG 560 -0.606 -23.777 -1.401 603 HE ARG 560 HE ARG 560 -1.602 -26.413 -0.976 604 HH11 ARG 560 1HH1 ARG 560 -1.891 -23.107 0.076 605 HH12 ARG 560 2HH1 ARG 560 -2.442 -23.524 1.665 606 HH21 ARG 560 1HH2 ARG 560 -2.328 -26.974 1.112 607 HH22 ARG 560 2HH2 ARG 560 -2.689 -25.723 2.254 608 H ARG 561 H ARG 561 -1.568 -26.235 -6.095 609 HA ARG 561 HA ARG 561 -0.717 -28.335 -5.879 610 HB2 ARG 561 1HB ARG 561 -0.719 -27.624 -2.939 611 HB3 ARG 561 2HB ARG 561 0.186 -28.940 -3.676 612 HG2 ARG 561 1HG ARG 561 0.628 -26.219 -4.754 613 HG3 ARG 561 2HG ARG 561 1.272 -26.580 -3.151 614 HD2 ARG 561 1HD ARG 561 1.749 -28.425 -5.464 615 HD3 ARG 561 2HD ARG 561 2.761 -27.004 -5.214 616 HE ARG 561 HE ARG 561 2.596 -28.475 -2.820 617 HH11 ARG 561 1HH1 ARG 561 4.000 -28.638 -6.001 618 HH12 ARG 561 2HH1 ARG 561 5.340 -29.615 -5.501 619 HH21 ARG 561 1HH2 ARG 561 4.356 -29.762 -2.150 620 HH22 ARG 561 2HH2 ARG 561 5.542 -30.254 -3.310 621 H ARG 562 H ARG 562 -3.666 -27.866 -5.633 622 HA ARG 562 HA ARG 562 -5.587 -28.983 -5.089 623 HB2 ARG 562 1HB ARG 562 -5.623 -31.233 -5.793 624 HB3 ARG 562 2HB ARG 562 -4.368 -30.471 -6.761 625 HG2 ARG 562 1HG ARG 562 -2.703 -31.663 -5.798 626 HG3 ARG 562 2HG ARG 562 -3.516 -31.746 -4.234 627 HD2 ARG 562 1HD ARG 562 -4.155 -33.816 -4.719 628 HD3 ARG 562 2HD ARG 562 -5.123 -33.174 -6.044 629 HE ARG 562 HE ARG 562 -2.587 -33.359 -7.054 630 HH11 ARG 562 1HH1 ARG 562 -4.839 -35.569 -5.582 631 HH12 ARG 562 2HH1 ARG 562 -4.261 -36.948 -6.458 632 HH21 ARG 562 1HH2 ARG 562 -1.815 -35.166 -8.213 633 HH22 ARG 562 2HH2 ARG 562 -2.540 -36.717 -7.953 634 H LYS 563 H LYS 563 -6.064 -31.414 -3.834 635 HA LYS 563 HA LYS 563 -5.757 -30.656 -1.087 636 HB2 LYS 563 1HB LYS 563 -7.048 -32.976 -2.496 637 HB3 LYS 563 2HB LYS 563 -6.882 -32.963 -0.746 638 HG2 LYS 563 1HG LYS 563 -8.219 -30.749 -2.278 639 HG3 LYS 563 2HG LYS 563 -9.083 -32.155 -1.654 640 HD2 LYS 563 1HD LYS 563 -7.504 -31.158 0.462 641 HD3 LYS 563 2HD LYS 563 -8.296 -29.768 -0.286 642 HE2 LYS 563 1HE LYS 563 -9.911 -30.396 1.208 643 HE3 LYS 563 2HE LYS 563 -10.402 -31.343 -0.197 644 HZ1 LYS 563 3HZ LYS 563 -8.875 -33.128 0.856 645 HZ2 LYS 563 1HZ LYS 563 -10.434 -32.898 1.475 646 HZ3 LYS 563 2HZ LYS 563 -9.097 -32.243 2.280 Start of MODEL 16 1 H1 GLU 523 1H GLU 523 -21.119 32.958 -5.324 2 H2 GLU 523 2H GLU 523 -22.112 32.249 -6.381 3 H3 GLU 523 3H GLU 523 -22.209 31.833 -4.747 4 HA GLU 523 HA GLU 523 -21.266 30.036 -5.592 5 HB2 GLU 523 1HB GLU 523 -20.187 31.299 -7.641 6 HB3 GLU 523 2HB GLU 523 -19.079 31.879 -6.440 7 HG2 GLU 523 1HG GLU 523 -18.026 30.033 -7.435 8 HG3 GLU 523 2HG GLU 523 -18.631 29.250 -6.066 9 H PHE 524 H PHE 524 -20.229 28.904 -3.990 10 HA PHE 524 HA PHE 524 -19.092 30.472 -1.757 11 HB2 PHE 524 1HB PHE 524 -20.629 28.347 -1.878 12 HB3 PHE 524 2HB PHE 524 -19.302 27.372 -2.152 13 HD1 PHE 524 2HD PHE 524 -19.880 30.184 0.472 14 HD2 PHE 524 1HD PHE 524 -18.911 25.960 -0.229 15 HE1 PHE 524 2HE PHE 524 -19.797 29.878 2.683 16 HE2 PHE 524 1HE PHE 524 -18.814 25.681 2.175 17 HZ PHE 524 HZ PHE 524 -19.175 27.553 3.704 18 H GLN 525 H GLN 525 -17.286 29.894 -0.552 19 HA GLN 525 HA GLN 525 -15.028 30.309 -2.147 20 HB2 GLN 525 1HB GLN 525 -13.865 30.631 -0.147 21 HB3 GLN 525 2HB GLN 525 -15.337 31.512 0.014 22 HG2 GLN 525 1HG GLN 525 -16.386 29.791 1.459 23 HG3 GLN 525 2HG GLN 525 -15.017 28.832 1.292 24 HE21 GLN 525 1HE2 GLN 525 -13.149 31.348 1.661 25 HE22 GLN 525 2HE2 GLN 525 -13.352 31.710 3.364 26 H THR 526 H THR 526 -13.158 29.119 -2.099 27 HA THR 526 HA THR 526 -13.615 26.165 -2.068 28 HB THR 526 HB THR 526 -11.413 26.465 -3.432 29 HG1 THR 526 1HG THR 526 -12.288 28.817 -4.291 30 HG21 THR 526 3HG2 THR 526 -13.848 25.968 -4.384 31 HG22 THR 526 1HG2 THR 526 -14.045 27.610 -4.669 32 HG23 THR 526 2HG2 THR 526 -12.829 26.664 -5.594 33 H LEU 527 H LEU 527 -12.701 25.145 -0.329 34 HA LEU 527 HA LEU 527 -10.581 26.291 1.398 35 HB2 LEU 527 1HB LEU 527 -12.681 26.466 2.241 36 HB3 LEU 527 2HB LEU 527 -13.171 24.855 1.949 37 HG LEU 527 HG LEU 527 -11.187 24.242 3.494 38 HD11 LEU 527 1HD1 LEU 527 -10.078 26.446 3.785 39 HD12 LEU 527 2HD1 LEU 527 -11.447 27.311 4.390 40 HD13 LEU 527 3HD1 LEU 527 -10.788 25.980 5.270 41 HD21 LEU 527 3HD2 LEU 527 -13.285 23.608 4.432 42 HD22 LEU 527 1HD2 LEU 527 -12.694 24.787 5.582 43 HD23 LEU 527 2HD2 LEU 527 -13.844 25.252 4.393 44 H SER 528 H SER 528 -8.859 25.268 0.524 45 HA SER 528 HA SER 528 -8.783 22.486 -0.140 46 HB2 SER 528 1HB SER 528 -7.197 24.423 -0.965 47 HB3 SER 528 2HB SER 528 -6.611 24.557 0.643 48 HG SER 528 HG SER 528 -6.447 22.182 -1.079 49 HA PRO 529 HA PRO 529 -8.569 21.675 4.264 50 HB2 PRO 529 1HB PRO 529 -7.634 19.038 4.278 51 HB3 PRO 529 2HB PRO 529 -9.282 19.538 3.969 52 HG2 PRO 529 1HG PRO 529 -7.208 18.898 1.983 53 HG3 PRO 529 2HG PRO 529 -8.985 18.547 1.836 54 HD2 PRO 529 1HD PRO 529 -7.700 20.468 0.517 55 HD3 PRO 529 2HD PRO 529 -9.400 20.505 0.908 56 H GLU 530 H GLU 530 -6.908 20.919 5.938 57 HA GLU 530 HA GLU 530 -4.299 22.111 5.687 58 HB2 GLU 530 1HB GLU 530 -5.477 22.316 7.802 59 HB3 GLU 530 2HB GLU 530 -5.758 20.524 7.858 60 HG2 GLU 530 1HG GLU 530 -4.574 21.018 9.463 61 HG3 GLU 530 2HG GLU 530 -3.720 19.967 8.481 62 H GLY 531 H GLY 531 -2.539 21.194 5.282 63 HA2 GLY 531 1HA GLY 531 -2.198 18.147 4.953 64 HA3 GLY 531 2HA GLY 531 -1.376 19.402 3.994 65 H SER 532 H SER 532 -1.845 17.741 7.013 66 HA SER 532 HA SER 532 0.128 19.295 8.493 67 HB2 SER 532 1HB SER 532 -0.439 18.091 10.420 68 HB3 SER 532 2HB SER 532 -1.777 18.901 9.545 69 HG SER 532 HG SER 532 -2.568 16.935 9.186 70 H GLY 533 H GLY 533 -0.111 16.396 6.750 71 HA2 GLY 533 1HA GLY 533 1.767 14.985 6.053 72 HA3 GLY 533 2HA GLY 533 2.408 15.236 7.793 73 H ASN 534 H ASN 534 -0.419 14.913 8.456 74 HA ASN 534 HA ASN 534 -0.569 12.328 9.392 75 HB2 ASN 534 1HB ASN 534 -2.142 14.184 10.163 76 HB3 ASN 534 2HB ASN 534 -2.811 14.423 8.622 77 HD21 ASN 534 1HD2 ASN 534 -2.464 12.404 11.443 78 HD22 ASN 534 2HD2 ASN 534 -4.097 11.994 11.669 79 H LEU 535 H LEU 535 -1.510 13.100 6.066 80 HA LEU 535 HA LEU 535 -2.555 10.310 5.759 81 HB2 LEU 535 1HB LEU 535 -2.269 12.543 3.749 82 HB3 LEU 535 2HB LEU 535 -3.102 11.037 3.546 83 HG LEU 535 HG LEU 535 -4.887 12.294 3.843 84 HD11 LEU 535 1HD1 LEU 535 -5.048 10.499 5.161 85 HD12 LEU 535 2HD1 LEU 535 -4.307 11.252 6.540 86 HD13 LEU 535 3HD1 LEU 535 -5.930 11.865 5.951 87 HD21 LEU 535 3HD2 LEU 535 -3.628 14.462 4.334 88 HD22 LEU 535 1HD2 LEU 535 -5.158 14.398 5.183 89 HD23 LEU 535 2HD2 LEU 535 -3.765 14.122 5.996 90 H ALA 536 H ALA 536 0.276 12.070 5.530 91 HA ALA 536 HA ALA 536 1.496 10.641 3.396 92 HB1 ALA 536 1HB ALA 536 2.587 12.621 4.213 93 HB2 ALA 536 2HB ALA 536 3.124 11.907 5.751 94 HB3 ALA 536 3HB ALA 536 3.747 11.384 4.154 95 H VAL 537 H VAL 537 1.263 10.008 6.792 96 HA VAL 537 HA VAL 537 2.852 7.784 7.339 97 HB VAL 537 HB VAL 537 0.092 8.609 8.208 98 HG11 VAL 537 1HG1 VAL 537 0.769 6.335 9.122 99 HG12 VAL 537 2HG1 VAL 537 2.130 7.041 9.901 100 HG13 VAL 537 3HG1 VAL 537 0.506 7.604 10.304 101 HG21 VAL 537 3HG2 VAL 537 1.403 10.552 8.519 102 HG22 VAL 537 1HG2 VAL 537 1.523 9.721 10.042 103 HG23 VAL 537 2HG2 VAL 537 2.860 9.643 8.958 104 H ILE 538 H ILE 538 -0.321 7.801 5.625 105 HA ILE 538 HA ILE 538 -0.707 5.027 5.553 106 HB ILE 538 HB ILE 538 -1.446 7.071 3.384 107 HG12 ILE 538 1HG1 ILE 538 -3.234 6.092 5.586 108 HG13 ILE 538 2HG1 ILE 538 -2.236 7.549 5.649 109 HG21 ILE 538 1HG2 ILE 538 -2.740 4.382 3.961 110 HG22 ILE 538 2HG2 ILE 538 -3.068 5.442 2.682 111 HG23 ILE 538 3HG2 ILE 538 -1.604 4.523 2.665 112 HD11 ILE 538 3HD1 ILE 538 -3.316 8.549 3.728 113 HD12 ILE 538 1HD1 ILE 538 -4.185 7.052 3.328 114 HD13 ILE 538 2HD1 ILE 538 -4.642 7.903 4.715 115 H GLY 539 H GLY 539 1.484 6.978 3.565 116 HA2 GLY 539 1HA GLY 539 2.222 4.822 1.733 117 HA3 GLY 539 2HA GLY 539 2.993 6.365 1.856 118 H GLY 540 H GLY 540 3.511 5.758 4.866 119 HA2 GLY 540 1HA GLY 540 5.675 3.794 4.761 120 HA3 GLY 540 2HA GLY 540 5.086 4.601 6.133 121 H VAL 541 H VAL 541 2.584 3.842 6.138 122 HA VAL 541 HA VAL 541 2.728 1.243 7.214 123 HB VAL 541 HB VAL 541 0.281 3.047 6.852 124 HG11 VAL 541 1HG1 VAL 541 -0.783 0.884 7.121 125 HG12 VAL 541 2HG1 VAL 541 0.233 0.534 8.421 126 HG13 VAL 541 3HG1 VAL 541 -0.984 1.890 8.577 127 HG21 VAL 541 3HG2 VAL 541 0.522 3.365 9.234 128 HG22 VAL 541 1HG2 VAL 541 1.925 2.437 9.374 129 HG23 VAL 541 2HG2 VAL 541 2.043 3.964 8.436 130 H ALA 542 H ALA 542 0.577 2.280 4.488 131 HA ALA 542 HA ALA 542 -0.440 -0.259 3.986 132 HB1 ALA 542 1HB ALA 542 -1.252 0.548 2.012 133 HB2 ALA 542 2HB ALA 542 -1.577 1.905 3.043 134 HB3 ALA 542 3HB ALA 542 -0.270 2.079 2.019 135 H VAL 543 H VAL 543 2.535 1.414 2.754 136 HA VAL 543 HA VAL 543 2.900 -0.527 0.637 137 HB VAL 543 HB VAL 543 4.760 1.656 1.769 138 HG11 VAL 543 1HG1 VAL 543 5.166 -0.043 -0.669 139 HG12 VAL 543 2HG1 VAL 543 5.919 1.537 -0.363 140 HG13 VAL 543 3HG1 VAL 543 6.296 0.281 0.747 141 HG21 VAL 543 3HG2 VAL 543 3.968 3.014 -0.169 142 HG22 VAL 543 1HG2 VAL 543 3.022 1.693 -0.747 143 HG23 VAL 543 2HG2 VAL 543 2.579 2.437 0.740 144 H GLY 544 H GLY 544 3.603 -0.169 4.046 145 HA2 GLY 544 1HA GLY 544 5.668 -2.272 4.284 146 HA3 GLY 544 2HA GLY 544 4.892 -1.606 5.517 147 H VAL 545 H VAL 545 2.067 -2.036 4.117 148 HA VAL 545 HA VAL 545 1.733 -4.756 5.035 149 HB VAL 545 HB VAL 545 -0.183 -2.949 3.648 150 HG11 VAL 545 1HG1 VAL 545 -0.641 -5.711 4.834 151 HG12 VAL 545 2HG1 VAL 545 -1.842 -4.425 4.897 152 HG13 VAL 545 3HG1 VAL 545 -1.215 -4.925 3.300 153 HG21 VAL 545 3HG2 VAL 545 0.058 -3.605 6.673 154 HG22 VAL 545 1HG2 VAL 545 0.765 -2.285 5.926 155 HG23 VAL 545 2HG2 VAL 545 -0.919 -2.275 5.811 156 H VAL 546 H VAL 546 1.930 -3.078 1.898 157 HA VAL 546 HA VAL 546 1.849 -5.438 0.313 158 HB VAL 546 HB VAL 546 3.518 -2.870 0.004 159 HG11 VAL 546 1HG1 VAL 546 3.752 -3.290 -2.469 160 HG12 VAL 546 2HG1 VAL 546 4.332 -4.674 -1.609 161 HG13 VAL 546 3HG1 VAL 546 2.768 -4.648 -2.356 162 HG21 VAL 546 3HG2 VAL 546 1.469 -2.211 -1.664 163 HG22 VAL 546 1HG2 VAL 546 0.697 -3.605 -0.778 164 HG23 VAL 546 2HG2 VAL 546 1.250 -2.295 0.086 165 H LEU 547 H LEU 547 4.403 -4.158 2.058 166 HA LEU 547 HA LEU 547 6.422 -5.819 1.033 167 HB2 LEU 547 1HB LEU 547 6.160 -3.942 3.281 168 HB3 LEU 547 2HB LEU 547 7.045 -5.336 3.681 169 HG LEU 547 HG LEU 547 8.514 -4.794 1.531 170 HD11 LEU 547 1HD1 LEU 547 7.128 -2.214 1.701 171 HD12 LEU 547 2HD1 LEU 547 8.757 -2.508 0.984 172 HD13 LEU 547 3HD1 LEU 547 7.396 -3.316 0.348 173 HD21 LEU 547 3HD2 LEU 547 9.410 -4.521 3.935 174 HD22 LEU 547 1HD2 LEU 547 9.811 -3.096 3.059 175 HD23 LEU 547 2HD2 LEU 547 8.427 -3.075 4.111 176 H LEU 548 H LEU 548 4.120 -5.949 3.828 177 HA LEU 548 HA LEU 548 4.876 -8.438 4.939 178 HB2 LEU 548 1HB LEU 548 3.555 -6.540 5.915 179 HB3 LEU 548 2HB LEU 548 2.185 -7.251 5.048 180 HG LEU 548 HG LEU 548 3.778 -9.065 6.787 181 HD11 LEU 548 1HD1 LEU 548 2.089 -6.946 8.066 182 HD12 LEU 548 2HD1 LEU 548 2.480 -8.464 8.894 183 HD13 LEU 548 3HD1 LEU 548 3.759 -7.393 8.478 184 HD21 LEU 548 3HD2 LEU 548 1.565 -10.005 7.336 185 HD22 LEU 548 1HD2 LEU 548 0.785 -8.961 6.305 186 HD23 LEU 548 2HD2 LEU 548 1.984 -10.184 5.697 187 H LEU 549 H LEU 549 2.245 -7.740 2.671 188 HA LEU 549 HA LEU 549 1.374 -10.431 2.421 189 HB2 LEU 549 1HB LEU 549 0.977 -7.957 0.929 190 HB3 LEU 549 2HB LEU 549 0.357 -9.312 0.169 191 HG LEU 549 HG LEU 549 -0.370 -8.443 2.933 192 HD11 LEU 549 1HD1 LEU 549 -2.539 -7.505 1.836 193 HD12 LEU 549 2HD1 LEU 549 -1.115 -6.561 1.659 194 HD13 LEU 549 3HD1 LEU 549 -1.669 -7.553 0.313 195 HD21 LEU 549 3HD2 LEU 549 -1.833 -10.501 1.098 196 HD22 LEU 549 1HD2 LEU 549 -0.970 -10.791 2.512 197 HD23 LEU 549 2HD2 LEU 549 -2.481 -9.950 2.488 198 H VAL 550 H VAL 550 3.963 -8.758 0.794 199 HA VAL 550 HA VAL 550 4.543 -11.018 -0.950 200 HB VAL 550 HB VAL 550 6.253 -8.775 0.076 201 HG11 VAL 550 1HG1 VAL 550 7.973 -9.401 -1.515 202 HG12 VAL 550 2HG1 VAL 550 7.813 -10.674 -0.497 203 HG13 VAL 550 3HG1 VAL 550 7.000 -10.921 -2.015 204 HG21 VAL 550 3HG2 VAL 550 4.372 -8.460 -1.763 205 HG22 VAL 550 1HG2 VAL 550 5.957 -7.708 -2.014 206 HG23 VAL 550 2HG2 VAL 550 5.439 -9.156 -2.841 207 H LEU 551 H LEU 551 6.361 -9.966 1.719 208 HA LEU 551 HA LEU 551 7.876 -12.257 2.265 209 HB2 LEU 551 1HB LEU 551 7.311 -10.033 4.325 210 HB3 LEU 551 2HB LEU 551 8.250 -11.346 4.538 211 HG LEU 551 HG LEU 551 8.873 -9.615 2.208 212 HD11 LEU 551 1HD1 LEU 551 10.298 -8.385 3.729 213 HD12 LEU 551 2HD1 LEU 551 8.632 -8.364 4.347 214 HD13 LEU 551 3HD1 LEU 551 9.738 -9.355 5.211 215 HD21 LEU 551 3HD2 LEU 551 11.178 -10.547 2.607 216 HD22 LEU 551 1HD2 LEU 551 10.654 -11.636 3.855 217 HD23 LEU 551 2HD2 LEU 551 10.102 -11.812 2.254 218 H ALA 552 H ALA 552 5.012 -11.514 4.163 219 HA ALA 552 HA ALA 552 5.166 -13.891 5.781 220 HB1 ALA 552 1HB ALA 552 3.858 -12.592 7.076 221 HB2 ALA 552 2HB ALA 552 3.797 -11.354 6.114 222 HB3 ALA 552 3HB ALA 552 2.538 -12.596 5.929 223 H GLY 553 H GLY 553 3.780 -13.069 2.630 224 HA2 GLY 553 1HA GLY 553 1.847 -15.235 2.454 225 HA3 GLY 553 2HA GLY 553 2.439 -14.059 1.248 226 H VAL 554 H VAL 554 4.754 -14.438 0.862 227 HA VAL 554 HA VAL 554 5.058 -16.850 -0.491 228 HB VAL 554 HB VAL 554 6.063 -14.510 -0.861 229 HG11 VAL 554 1HG1 VAL 554 8.624 -15.537 0.222 230 HG12 VAL 554 2HG1 VAL 554 8.013 -13.878 -0.159 231 HG13 VAL 554 3HG1 VAL 554 7.547 -14.786 1.331 232 HG21 VAL 554 3HG2 VAL 554 7.786 -15.084 -2.335 233 HG22 VAL 554 1HG2 VAL 554 7.588 -16.737 -1.718 234 HG23 VAL 554 2HG2 VAL 554 6.383 -15.959 -2.772 235 H GLY 555 H GLY 555 5.913 -16.107 2.680 236 HA2 GLY 555 1HA GLY 555 7.390 -18.560 3.175 237 HA3 GLY 555 2HA GLY 555 7.299 -17.401 4.346 238 H PHE 556 H PHE 556 4.018 -17.572 3.299 239 HA PHE 556 HA PHE 556 3.228 -19.460 5.270 240 HB2 PHE 556 1HB PHE 556 2.048 -17.211 4.871 241 HB3 PHE 556 2HB PHE 556 1.467 -17.774 3.372 242 HD1 PHE 556 1HD PHE 556 1.243 -18.247 7.003 243 HD2 PHE 556 2HD PHE 556 -0.498 -19.334 3.186 244 HE1 PHE 556 1HE PHE 556 -0.656 -19.367 8.096 245 HE2 PHE 556 2HE PHE 556 -2.351 -20.409 4.363 246 HZ PHE 556 HZ PHE 556 -2.440 -20.427 6.825 247 H PHE 557 H PHE 557 3.189 -19.239 1.724 248 HA PHE 557 HA PHE 557 2.107 -21.923 1.423 249 HB2 PHE 557 1HB PHE 557 3.587 -19.950 -0.258 250 HB3 PHE 557 2HB PHE 557 2.578 -21.362 -0.949 251 HD1 PHE 557 2HD PHE 557 0.317 -20.506 1.145 252 HD2 PHE 557 1HD PHE 557 2.528 -18.471 -1.848 253 HE1 PHE 557 2HE PHE 557 -1.627 -18.976 0.758 254 HE2 PHE 557 1HE PHE 557 0.755 -16.744 -2.079 255 HZ PHE 557 HZ PHE 557 -1.390 -17.110 -0.801 256 H ILE 558 H ILE 558 4.871 -21.329 2.775 257 HA ILE 558 HA ILE 558 5.854 -23.920 2.269 258 HB ILE 558 HB ILE 558 7.366 -22.304 0.821 259 HG12 ILE 558 1HG1 ILE 558 8.776 -23.476 3.144 260 HG13 ILE 558 2HG1 ILE 558 8.224 -24.595 1.954 261 HG21 ILE 558 1HG2 ILE 558 8.908 -20.838 1.909 262 HG22 ILE 558 2HG2 ILE 558 7.379 -20.364 2.535 263 HG23 ILE 558 3HG2 ILE 558 8.545 -21.341 3.452 264 HD11 ILE 558 3HD1 ILE 558 10.439 -24.158 1.260 265 HD12 ILE 558 1HD1 ILE 558 9.353 -23.405 0.069 266 HD13 ILE 558 2HD1 ILE 558 10.117 -22.408 1.225 267 H HIS 559 H HIS 559 4.412 -22.127 4.338 268 HA HIS 559 HA HIS 559 5.321 -23.835 6.502 269 HB2 HIS 559 1HB HIS 559 5.627 -21.260 6.874 270 HB3 HIS 559 2HB HIS 559 3.915 -21.098 6.403 271 HD2 HIS 559 2HD HIS 559 2.696 -20.362 8.846 272 HE1 HIS 559 1HE HIS 559 5.468 -22.271 11.316 273 HE2 HIS 559 2HE HIS 559 3.499 -20.695 11.207 274 H ARG 560 H ARG 560 4.093 -25.239 5.047 275 HA ARG 560 HA ARG 560 1.646 -25.773 6.407 276 HB2 ARG 560 1HB ARG 560 2.227 -25.963 3.304 277 HB3 ARG 560 2HB ARG 560 0.853 -26.667 4.024 278 HG2 ARG 560 1HG ARG 560 0.680 -23.977 4.981 279 HG3 ARG 560 2HG ARG 560 1.440 -23.823 3.394 280 HD2 ARG 560 1HD ARG 560 -1.296 -25.222 4.121 281 HD3 ARG 560 2HD ARG 560 -1.123 -23.736 3.130 282 HE ARG 560 HE ARG 560 0.340 -25.322 1.824 283 HH11 ARG 560 1HH1 ARG 560 -3.084 -25.150 2.811 284 HH12 ARG 560 2HH1 ARG 560 -3.597 -26.297 1.673 285 HH21 ARG 560 1HH2 ARG 560 -0.397 -27.270 0.608 286 HH22 ARG 560 2HH2 ARG 560 -2.032 -27.664 0.444 287 H ARG 561 H ARG 561 1.200 -28.189 5.811 288 HA ARG 561 HA ARG 561 3.704 -29.731 6.264 289 HB2 ARG 561 1HB ARG 561 0.809 -30.276 6.512 290 HB3 ARG 561 2HB ARG 561 2.151 -31.473 6.767 291 HG2 ARG 561 1HG ARG 561 1.369 -28.896 8.353 292 HG3 ARG 561 2HG ARG 561 0.991 -30.543 8.886 293 HD2 ARG 561 1HD ARG 561 2.655 -30.194 10.221 294 HD3 ARG 561 2HD ARG 561 3.353 -31.144 8.949 295 HE ARG 561 HE ARG 561 3.446 -28.160 9.000 296 HH11 ARG 561 1HH1 ARG 561 5.054 -31.161 8.008 297 HH12 ARG 561 2HH1 ARG 561 6.544 -30.449 7.888 298 HH21 ARG 561 1HH2 ARG 561 5.320 -27.148 8.400 299 HH22 ARG 561 2HH2 ARG 561 6.807 -27.999 8.002 300 H ARG 562 H ARG 562 0.989 -29.285 3.865 301 HA ARG 562 HA ARG 562 2.386 -31.151 2.153 302 HB2 ARG 562 1HB ARG 562 -0.448 -29.900 2.056 303 HB3 ARG 562 2HB ARG 562 0.190 -30.883 0.803 304 HG2 ARG 562 1HG ARG 562 0.483 -32.677 2.778 305 HG3 ARG 562 2HG ARG 562 -0.619 -31.478 3.568 306 HD2 ARG 562 1HD ARG 562 -2.307 -31.862 1.823 307 HD3 ARG 562 2HD ARG 562 -1.064 -32.614 0.888 308 HE ARG 562 HE ARG 562 -1.979 -33.777 3.527 309 HH11 ARG 562 1HH1 ARG 562 -0.990 -34.364 0.085 310 HH12 ARG 562 2HH1 ARG 562 -1.555 -35.912 -0.001 311 HH21 ARG 562 1HH2 ARG 562 -2.073 -35.873 3.612 312 HH22 ARG 562 2HH2 ARG 562 -1.940 -37.041 2.326 313 H LYS 563 H LYS 563 4.087 -29.540 1.866 314 HA LYS 563 HA LYS 563 3.558 -26.819 1.241 315 HB2 LYS 563 1HB LYS 563 6.175 -28.454 1.223 316 HB3 LYS 563 2HB LYS 563 6.199 -26.769 0.943 317 HG2 LYS 563 1HG LYS 563 5.077 -26.557 3.317 318 HG3 LYS 563 2HG LYS 563 5.362 -28.339 3.416 319 HD2 LYS 563 1HD LYS 563 7.725 -28.103 3.128 320 HD3 LYS 563 2HD LYS 563 7.585 -26.396 2.918 321 HE2 LYS 563 1HE LYS 563 6.574 -26.355 5.276 322 HE3 LYS 563 2HE LYS 563 6.944 -28.119 5.361 323 HZ1 LYS 563 3HZ LYS 563 8.838 -27.200 6.255 324 HZ2 LYS 563 1HZ LYS 563 9.324 -27.520 4.770 325 HZ3 LYS 563 2HZ LYS 563 8.865 -25.992 5.259 326 H1 GLU 523 1H GLU 523 -26.360 27.071 -0.460 327 H2 GLU 523 2H GLU 523 -25.085 27.394 0.631 328 H3 GLU 523 3H GLU 523 -26.200 28.524 0.197 329 HA GLU 523 HA GLU 523 -25.064 28.357 -2.059 330 HB2 GLU 523 1HB GLU 523 -24.402 29.861 0.019 331 HB3 GLU 523 2HB GLU 523 -23.163 28.859 0.198 332 HG2 GLU 523 1HG GLU 523 -22.200 30.520 -1.250 333 HG3 GLU 523 2HG GLU 523 -22.620 29.209 -2.374 334 H PHE 524 H PHE 524 -23.250 27.493 -3.189 335 HA PHE 524 HA PHE 524 -21.956 25.031 -2.296 336 HB2 PHE 524 1HB PHE 524 -22.676 23.890 -4.219 337 HB3 PHE 524 2HB PHE 524 -24.078 24.144 -3.097 338 HD1 PHE 524 2HD PHE 524 -25.666 26.147 -3.797 339 HD2 PHE 524 1HD PHE 524 -22.771 24.424 -6.559 340 HE1 PHE 524 2HE PHE 524 -26.683 27.268 -5.687 341 HE2 PHE 524 1HE PHE 524 -23.962 25.701 -8.395 342 HZ PHE 524 HZ PHE 524 -26.027 26.674 -8.093 343 H GLN 525 H GLN 525 -20.619 24.309 -4.532 344 HA GLN 525 HA GLN 525 -20.253 26.361 -6.388 345 HB2 GLN 525 1HB GLN 525 -17.791 26.646 -6.135 346 HB3 GLN 525 2HB GLN 525 -18.769 27.248 -4.734 347 HG2 GLN 525 1HG GLN 525 -16.771 26.334 -3.686 348 HG3 GLN 525 2HG GLN 525 -18.159 25.318 -3.467 349 HE21 GLN 525 1HE2 GLN 525 -16.917 23.481 -3.074 350 HE22 GLN 525 2HE2 GLN 525 -16.125 22.647 -4.326 351 H THR 526 H THR 526 -18.579 25.817 -7.986 352 HA THR 526 HA THR 526 -18.605 22.921 -8.508 353 HB THR 526 HB THR 526 -19.154 23.568 -10.907 354 HG1 THR 526 1HG THR 526 -19.445 26.085 -9.830 355 HG21 THR 526 3HG2 THR 526 -21.434 24.581 -9.127 356 HG22 THR 526 1HG2 THR 526 -21.415 24.196 -10.847 357 HG23 THR 526 2HG2 THR 526 -20.997 22.977 -9.576 358 H LEU 527 H LEU 527 -16.610 25.355 -7.934 359 HA LEU 527 HA LEU 527 -14.738 25.547 -10.160 360 HB2 LEU 527 1HB LEU 527 -14.559 26.151 -7.167 361 HB3 LEU 527 2HB LEU 527 -13.455 26.879 -8.398 362 HG LEU 527 HG LEU 527 -16.266 27.409 -8.446 363 HD11 LEU 527 1HD1 LEU 527 -14.120 29.001 -6.935 364 HD12 LEU 527 2HD1 LEU 527 -15.778 29.540 -7.291 365 HD13 LEU 527 3HD1 LEU 527 -15.458 28.099 -6.401 366 HD21 LEU 527 3HD2 LEU 527 -15.671 28.020 -10.512 367 HD22 LEU 527 1HD2 LEU 527 -15.161 29.540 -9.668 368 HD23 LEU 527 2HD2 LEU 527 -14.057 28.354 -10.277 369 H SER 528 H SER 528 -14.845 23.727 -7.104 370 HA SER 528 HA SER 528 -12.939 21.776 -8.208 371 HB2 SER 528 1HB SER 528 -11.895 21.780 -5.812 372 HB3 SER 528 2HB SER 528 -11.356 23.046 -6.931 373 HG SER 528 HG SER 528 -13.413 23.893 -5.630 374 HA PRO 529 HA PRO 529 -16.170 19.395 -7.224 375 HB2 PRO 529 1HB PRO 529 -15.130 16.753 -7.459 376 HB3 PRO 529 2HB PRO 529 -15.598 17.947 -8.669 377 HG2 PRO 529 1HG PRO 529 -12.897 17.190 -7.843 378 HG3 PRO 529 2HG PRO 529 -13.507 17.606 -9.400 379 HD2 PRO 529 1HD PRO 529 -12.156 19.543 -7.594 380 HD3 PRO 529 2HD PRO 529 -13.193 19.914 -8.975 381 H GLU 530 H GLU 530 -16.639 16.909 -5.853 382 HA GLU 530 HA GLU 530 -16.004 17.638 -3.176 383 HB2 GLU 530 1HB GLU 530 -18.322 16.930 -3.598 384 HB3 GLU 530 2HB GLU 530 -17.799 15.563 -4.445 385 HG2 GLU 530 1HG GLU 530 -18.550 14.976 -2.260 386 HG3 GLU 530 2HG GLU 530 -16.947 14.376 -2.455 387 H GLY 531 H GLY 531 -14.034 17.024 -2.676 388 HA2 GLY 531 1HA GLY 531 -13.243 14.206 -2.555 389 HA3 GLY 531 2HA GLY 531 -12.075 15.242 -3.266 390 H SER 532 H SER 532 -10.799 14.696 -1.230 391 HA SER 532 HA SER 532 -11.179 16.704 0.535 392 HB2 SER 532 1HB SER 532 -11.361 15.283 2.682 393 HB3 SER 532 2HB SER 532 -12.715 15.078 1.561 394 HG SER 532 HG SER 532 -11.606 13.189 0.897 395 H GLY 533 H GLY 533 -9.047 16.313 -1.121 396 HA2 GLY 533 1HA GLY 533 -6.971 17.580 -0.304 397 HA3 GLY 533 2HA GLY 533 -6.764 16.289 0.918 398 H ASN 534 H ASN 534 -4.813 16.744 -0.765 399 HA ASN 534 HA ASN 534 -4.966 15.112 -3.174 400 HB2 ASN 534 1HB ASN 534 -3.356 17.500 -2.244 401 HB3 ASN 534 2HB ASN 534 -2.718 16.518 -3.497 402 HD21 ASN 534 1HD2 ASN 534 -4.679 19.239 -2.842 403 HD22 ASN 534 2HD2 ASN 534 -5.136 19.408 -4.534 404 H LEU 535 H LEU 535 -3.999 14.165 -0.287 405 HA LEU 535 HA LEU 535 -1.652 12.597 -1.228 406 HB2 LEU 535 1HB LEU 535 -2.595 13.377 1.547 407 HB3 LEU 535 2HB LEU 535 -1.685 12.010 1.374 408 HG LEU 535 HG LEU 535 0.000 13.498 -0.058 409 HD11 LEU 535 1HD1 LEU 535 0.166 15.723 1.132 410 HD12 LEU 535 2HD1 LEU 535 -0.710 15.621 -0.269 411 HD13 LEU 535 3HD1 LEU 535 -1.530 15.614 1.344 412 HD21 LEU 535 3HD2 LEU 535 0.032 13.823 2.976 413 HD22 LEU 535 1HD2 LEU 535 0.323 12.257 2.190 414 HD23 LEU 535 2HD2 LEU 535 1.386 13.631 1.884 415 H ALA 536 H ALA 536 -5.078 12.247 -0.734 416 HA ALA 536 HA ALA 536 -5.217 9.663 0.312 417 HB1 ALA 536 1HB ALA 536 -7.228 10.839 0.293 418 HB2 ALA 536 2HB ALA 536 -7.034 11.217 -1.516 419 HB3 ALA 536 3HB ALA 536 -7.395 9.590 -0.897 420 H VAL 537 H VAL 537 -4.328 10.507 -2.825 421 HA VAL 537 HA VAL 537 -4.719 8.165 -4.228 422 HB VAL 537 HB VAL 537 -2.692 8.950 -5.551 423 HG11 VAL 537 1HG1 VAL 537 -4.941 9.534 -6.216 424 HG12 VAL 537 2HG1 VAL 537 -5.190 10.782 -5.153 425 HG13 VAL 537 3HG1 VAL 537 -4.036 11.022 -6.410 426 HG21 VAL 537 3HG2 VAL 537 -2.921 11.474 -3.734 427 HG22 VAL 537 1HG2 VAL 537 -1.635 10.340 -3.521 428 HG23 VAL 537 2HG2 VAL 537 -1.857 11.179 -5.036 429 H ILE 538 H ILE 538 -2.208 8.953 -1.780 430 HA ILE 538 HA ILE 538 -0.376 7.023 -2.183 431 HB ILE 538 HB ILE 538 -1.355 8.520 0.162 432 HG12 ILE 538 1HG1 ILE 538 1.326 8.823 -1.339 433 HG13 ILE 538 2HG1 ILE 538 -0.071 9.723 -1.816 434 HG21 ILE 538 1HG2 ILE 538 1.163 6.777 0.126 435 HG22 ILE 538 2HG2 ILE 538 0.805 7.938 1.350 436 HG23 ILE 538 3HG2 ILE 538 -0.304 6.662 1.213 437 HD11 ILE 538 3HD1 ILE 538 1.136 11.072 -0.591 438 HD12 ILE 538 1HD1 ILE 538 -0.313 10.639 0.495 439 HD13 ILE 538 2HD1 ILE 538 1.366 10.002 0.828 440 H GLY 539 H GLY 539 -3.540 6.644 -0.752 441 HA2 GLY 539 1HA GLY 539 -2.955 3.841 -0.011 442 HA3 GLY 539 2HA GLY 539 -4.171 4.834 0.631 443 H GLY 540 H GLY 540 -4.074 5.643 -2.770 444 HA2 GLY 540 1HA GLY 540 -6.094 3.596 -3.456 445 HA3 GLY 540 2HA GLY 540 -5.701 5.052 -4.333 446 H VAL 541 H VAL 541 -2.983 4.904 -3.996 447 HA VAL 541 HA VAL 541 -1.899 3.107 -5.972 448 HB VAL 541 HB VAL 541 -0.478 4.875 -3.895 449 HG11 VAL 541 1HG1 VAL 541 0.826 3.069 -5.795 450 HG12 VAL 541 2HG1 VAL 541 1.606 4.520 -4.950 451 HG13 VAL 541 3HG1 VAL 541 1.062 3.140 -4.162 452 HG21 VAL 541 3HG2 VAL 541 -0.504 5.162 -6.989 453 HG22 VAL 541 1HG2 VAL 541 -1.749 5.957 -6.141 454 HG23 VAL 541 2HG2 VAL 541 -0.089 6.331 -5.753 455 H ALA 542 H ALA 542 -0.825 3.202 -2.591 456 HA ALA 542 HA ALA 542 0.151 0.608 -2.588 457 HB1 ALA 542 1HB ALA 542 0.210 0.968 -0.204 458 HB2 ALA 542 2HB ALA 542 0.607 2.467 -0.922 459 HB3 ALA 542 3HB ALA 542 -1.045 2.219 -0.238 460 H VAL 543 H VAL 543 -3.146 1.547 -1.287 461 HA VAL 543 HA VAL 543 -3.496 -1.203 -0.366 462 HB VAL 543 HB VAL 543 -5.615 0.867 -0.337 463 HG11 VAL 543 1HG1 VAL 543 -6.196 -0.436 1.693 464 HG12 VAL 543 2HG1 VAL 543 -6.381 -1.298 0.313 465 HG13 VAL 543 3HG1 VAL 543 -5.031 -1.664 1.278 466 HG21 VAL 543 3HG2 VAL 543 -3.686 1.975 0.770 467 HG22 VAL 543 1HG2 VAL 543 -5.040 1.745 1.890 468 HG23 VAL 543 2HG2 VAL 543 -3.783 0.590 1.953 469 H GLY 544 H GLY 544 -4.041 0.580 -3.464 470 HA2 GLY 544 1HA GLY 544 -5.980 -1.393 -4.446 471 HA3 GLY 544 2HA GLY 544 -4.957 -0.121 -5.244 472 H VAL 545 H VAL 545 -2.340 -1.004 -4.473 473 HA VAL 545 HA VAL 545 -1.904 -3.276 -6.014 474 HB VAL 545 HB VAL 545 -0.451 -1.750 -3.900 475 HG11 VAL 545 1HG1 VAL 545 1.638 -2.949 -4.523 476 HG12 VAL 545 2HG1 VAL 545 0.515 -3.902 -3.513 477 HG13 VAL 545 3HG1 VAL 545 0.833 -4.258 -5.212 478 HG21 VAL 545 3HG2 VAL 545 0.825 -0.698 -5.456 479 HG22 VAL 545 1HG2 VAL 545 0.309 -1.682 -6.853 480 HG23 VAL 545 2HG2 VAL 545 -0.683 -0.563 -6.132 481 H VAL 546 H VAL 546 -2.337 -3.058 -2.382 482 HA VAL 546 HA VAL 546 -2.357 -5.716 -1.831 483 HB VAL 546 HB VAL 546 -3.827 -3.476 -0.502 484 HG11 VAL 546 1HG1 VAL 546 -5.184 -5.261 0.122 485 HG12 VAL 546 2HG1 VAL 546 -3.775 -6.209 0.583 486 HG13 VAL 546 3HG1 VAL 546 -4.243 -4.897 1.534 487 HG21 VAL 546 3HG2 VAL 546 -1.113 -4.704 -0.072 488 HG22 VAL 546 1HG2 VAL 546 -1.646 -3.005 -0.147 489 HG23 VAL 546 2HG2 VAL 546 -1.816 -3.811 1.243 490 H LEU 547 H LEU 547 -5.183 -3.981 -3.268 491 HA LEU 547 HA LEU 547 -7.015 -6.105 -3.244 492 HB2 LEU 547 1HB LEU 547 -7.142 -3.549 -3.877 493 HB3 LEU 547 2HB LEU 547 -6.971 -4.206 -5.394 494 HG LEU 547 HG LEU 547 -9.213 -3.951 -4.728 495 HD11 LEU 547 1HD1 LEU 547 -8.855 -7.018 -5.267 496 HD12 LEU 547 2HD1 LEU 547 -9.965 -5.838 -5.993 497 HD13 LEU 547 3HD1 LEU 547 -8.373 -5.783 -6.459 498 HD21 LEU 547 3HD2 LEU 547 -9.042 -6.171 -2.801 499 HD22 LEU 547 1HD2 LEU 547 -9.418 -4.446 -2.554 500 HD23 LEU 547 2HD2 LEU 547 -10.577 -5.515 -3.405 501 H LEU 548 H LEU 548 -4.506 -5.121 -5.702 502 HA LEU 548 HA LEU 548 -5.196 -7.119 -7.596 503 HB2 LEU 548 1HB LEU 548 -2.725 -5.480 -7.211 504 HB3 LEU 548 2HB LEU 548 -2.941 -6.565 -8.514 505 HG LEU 548 HG LEU 548 -4.492 -4.069 -7.657 506 HD11 LEU 548 1HD1 LEU 548 -2.074 -4.005 -8.847 507 HD12 LEU 548 2HD1 LEU 548 -2.897 -4.367 -10.279 508 HD13 LEU 548 3HD1 LEU 548 -3.284 -2.882 -9.382 509 HD21 LEU 548 3HD2 LEU 548 -5.829 -3.967 -9.734 510 HD22 LEU 548 1HD2 LEU 548 -5.115 -5.412 -10.325 511 HD23 LEU 548 2HD2 LEU 548 -6.079 -5.561 -8.950 512 H LEU 549 H LEU 549 -2.679 -6.722 -5.149 513 HA LEU 549 HA LEU 549 -0.984 -8.753 -5.525 514 HB2 LEU 549 1HB LEU 549 -0.489 -6.821 -4.184 515 HB3 LEU 549 2HB LEU 549 -1.586 -7.277 -2.950 516 HG LEU 549 HG LEU 549 -0.206 -9.122 -2.222 517 HD11 LEU 549 1HD1 LEU 549 1.732 -8.276 -4.384 518 HD12 LEU 549 2HD1 LEU 549 2.105 -9.284 -2.959 519 HD13 LEU 549 3HD1 LEU 549 0.941 -9.789 -4.339 520 HD21 LEU 549 3HD2 LEU 549 1.467 -7.727 -1.157 521 HD22 LEU 549 1HD2 LEU 549 1.182 -6.447 -2.382 522 HD23 LEU 549 2HD2 LEU 549 0.042 -6.874 -1.257 523 H VAL 550 H VAL 550 -3.746 -8.640 -3.388 524 HA VAL 550 HA VAL 550 -3.415 -11.365 -2.277 525 HB VAL 550 HB VAL 550 -5.592 -9.318 -2.259 526 HG11 VAL 550 1HG1 VAL 550 -6.971 -10.372 -1.073 527 HG12 VAL 550 2HG1 VAL 550 -6.870 -11.462 -2.281 528 HG13 VAL 550 3HG1 VAL 550 -6.024 -11.945 -0.748 529 HG21 VAL 550 3HG2 VAL 550 -3.833 -10.385 -0.048 530 HG22 VAL 550 1HG2 VAL 550 -3.741 -8.876 -0.865 531 HG23 VAL 550 2HG2 VAL 550 -5.252 -9.288 0.064 532 H LEU 551 H LEU 551 -5.578 -10.146 -4.895 533 HA LEU 551 HA LEU 551 -6.678 -12.597 -5.638 534 HB2 LEU 551 1HB LEU 551 -6.026 -10.126 -7.160 535 HB3 LEU 551 2HB LEU 551 -6.849 -11.456 -7.889 536 HG LEU 551 HG LEU 551 -7.626 -9.793 -5.575 537 HD11 LEU 551 1HD1 LEU 551 -8.049 -8.799 -7.737 538 HD12 LEU 551 2HD1 LEU 551 -9.228 -10.145 -8.179 539 HD13 LEU 551 3HD1 LEU 551 -9.562 -9.056 -6.894 540 HD21 LEU 551 3HD2 LEU 551 -9.677 -12.001 -6.541 541 HD22 LEU 551 1HD2 LEU 551 -8.627 -12.208 -5.213 542 HD23 LEU 551 2HD2 LEU 551 -9.740 -10.964 -5.095 543 H ALA 552 H ALA 552 -3.699 -11.159 -6.679 544 HA ALA 552 HA ALA 552 -2.593 -13.234 -8.345 545 HB1 ALA 552 1HB ALA 552 -1.745 -10.782 -7.660 546 HB2 ALA 552 2HB ALA 552 -0.769 -11.756 -6.551 547 HB3 ALA 552 3HB ALA 552 -0.622 -12.171 -8.185 548 H GLY 553 H GLY 553 -2.805 -13.042 -4.795 549 HA2 GLY 553 1HA GLY 553 -1.315 -15.366 -4.205 550 HA3 GLY 553 2HA GLY 553 -2.343 -14.502 -3.144 551 H VAL 554 H VAL 554 -4.921 -15.094 -3.740 552 HA VAL 554 HA VAL 554 -5.777 -17.478 -3.980 553 HB VAL 554 HB VAL 554 -6.883 -15.161 -5.451 554 HG11 VAL 554 1HG1 VAL 554 -8.037 -17.481 -5.765 555 HG12 VAL 554 2HG1 VAL 554 -8.632 -17.366 -4.051 556 HG13 VAL 554 3HG1 VAL 554 -8.937 -16.096 -5.276 557 HG21 VAL 554 3HG2 VAL 554 -8.086 -14.659 -3.266 558 HG22 VAL 554 1HG2 VAL 554 -7.319 -16.161 -2.635 559 HG23 VAL 554 2HG2 VAL 554 -6.365 -14.716 -2.979 560 H GLY 555 H GLY 555 -4.859 -15.385 -6.835 561 HA2 GLY 555 1HA GLY 555 -5.460 -17.124 -8.802 562 HA3 GLY 555 2HA GLY 555 -3.873 -16.221 -8.928 563 H PHE 556 H PHE 556 -2.322 -17.147 -7.129 564 HA PHE 556 HA PHE 556 -1.324 -19.463 -8.419 565 HB2 PHE 556 1HB PHE 556 0.146 -17.661 -7.415 566 HB3 PHE 556 2HB PHE 556 -0.647 -17.911 -5.860 567 HD1 PHE 556 1HD PHE 556 1.363 -19.635 -8.502 568 HD2 PHE 556 2HD PHE 556 0.801 -19.068 -4.365 569 HE1 PHE 556 1HE PHE 556 3.233 -21.238 -8.048 570 HE2 PHE 556 2HE PHE 556 2.746 -20.536 -3.823 571 HZ PHE 556 HZ PHE 556 4.123 -21.405 -5.790 572 H PHE 557 H PHE 557 -3.151 -18.984 -5.396 573 HA PHE 557 HA PHE 557 -2.332 -21.394 -4.167 574 HB2 PHE 557 1HB PHE 557 -3.402 -19.182 -3.371 575 HB3 PHE 557 2HB PHE 557 -4.944 -19.941 -3.666 576 HD1 PHE 557 1HD PHE 557 -1.529 -20.899 -2.301 577 HD2 PHE 557 2HD PHE 557 -5.778 -20.910 -1.585 578 HE1 PHE 557 1HE PHE 557 -1.211 -22.248 -0.219 579 HE2 PHE 557 2HE PHE 557 -5.342 -22.089 0.573 580 HZ PHE 557 HZ PHE 557 -3.107 -22.622 1.277 581 H ILE 558 H ILE 558 -4.779 -20.767 -6.447 582 HA ILE 558 HA ILE 558 -6.479 -22.893 -6.123 583 HB ILE 558 HB ILE 558 -5.855 -21.000 -8.419 584 HG12 ILE 558 1HG1 ILE 558 -8.493 -21.325 -7.025 585 HG13 ILE 558 2HG1 ILE 558 -7.216 -20.416 -6.404 586 HG21 ILE 558 1HG2 ILE 558 -7.799 -21.858 -9.751 587 HG22 ILE 558 2HG2 ILE 558 -6.424 -22.941 -9.771 588 HG23 ILE 558 3HG2 ILE 558 -7.808 -23.218 -8.742 589 HD11 ILE 558 3HD1 ILE 558 -8.392 -19.833 -9.198 590 HD12 ILE 558 1HD1 ILE 558 -8.818 -18.916 -7.839 591 HD13 ILE 558 2HD1 ILE 558 -7.179 -18.909 -8.574 592 H HIS 559 H HIS 559 -3.430 -22.699 -7.927 593 HA HIS 559 HA HIS 559 -3.241 -25.530 -7.760 594 HB2 HIS 559 1HB HIS 559 -4.383 -25.774 -9.670 595 HB3 HIS 559 2HB HIS 559 -3.696 -24.479 -10.540 596 HD2 HIS 559 2HD HIS 559 -1.816 -25.336 -12.222 597 HE1 HIS 559 1HE HIS 559 -0.902 -28.926 -10.167 598 HE2 HIS 559 2HE HIS 559 -0.176 -27.508 -12.075 599 H ARG 560 H ARG 560 -1.115 -25.080 -6.631 600 HA ARG 560 HA ARG 560 0.395 -22.758 -7.194 601 HB2 ARG 560 1HB ARG 560 1.176 -25.130 -5.405 602 HB3 ARG 560 2HB ARG 560 1.881 -23.511 -5.440 603 HG2 ARG 560 1HG ARG 560 -0.203 -22.474 -4.885 604 HG3 ARG 560 2HG ARG 560 -1.083 -23.939 -4.879 605 HD2 ARG 560 1HD ARG 560 1.133 -23.160 -2.943 606 HD3 ARG 560 2HD ARG 560 -0.624 -23.069 -2.693 607 HE ARG 560 HE ARG 560 -0.969 -25.144 -2.424 608 HH11 ARG 560 1HH1 ARG 560 2.616 -24.710 -2.827 609 HH12 ARG 560 2HH1 ARG 560 3.011 -26.127 -2.129 610 HH21 ARG 560 1HH2 ARG 560 -0.457 -27.274 -1.809 611 HH22 ARG 560 2HH2 ARG 560 1.128 -27.840 -1.903 612 H ARG 561 H ARG 561 0.401 -25.722 -8.722 613 HA ARG 561 HA ARG 561 1.447 -26.651 -10.271 614 HB2 ARG 561 1HB ARG 561 4.181 -25.551 -9.904 615 HB3 ARG 561 2HB ARG 561 3.388 -26.428 -11.289 616 HG2 ARG 561 1HG ARG 561 2.030 -24.327 -11.733 617 HG3 ARG 561 2HG ARG 561 2.821 -23.606 -10.405 618 HD2 ARG 561 1HD ARG 561 4.353 -24.695 -12.845 619 HD3 ARG 561 2HD ARG 561 3.553 -23.132 -12.810 620 HE ARG 561 HE ARG 561 5.064 -23.349 -10.489 621 HH11 ARG 561 1HH1 ARG 561 5.825 -23.446 -14.013 622 HH12 ARG 561 2HH1 ARG 561 7.366 -22.863 -13.830 623 HH21 ARG 561 1HH2 ARG 561 7.365 -22.494 -10.291 624 HH22 ARG 561 2HH2 ARG 561 7.965 -21.852 -11.828 625 H ARG 562 H ARG 562 3.122 -26.317 -7.318 626 HA ARG 562 HA ARG 562 3.669 -29.060 -6.800 627 HB2 ARG 562 1HB ARG 562 3.496 -26.380 -5.195 628 HB3 ARG 562 2HB ARG 562 4.016 -27.893 -4.474 629 HG2 ARG 562 1HG ARG 562 5.778 -28.124 -6.088 630 HG3 ARG 562 2HG ARG 562 5.348 -26.463 -6.649 631 HD2 ARG 562 1HD ARG 562 7.228 -26.361 -5.004 632 HD3 ARG 562 2HD ARG 562 5.677 -25.699 -4.318 633 HE ARG 562 HE ARG 562 5.523 -27.446 -2.953 634 HH11 ARG 562 1HH1 ARG 562 7.930 -28.747 -5.119 635 HH12 ARG 562 2HH1 ARG 562 8.723 -29.768 -4.061 636 HH21 ARG 562 1HH2 ARG 562 6.017 -29.194 -1.773 637 HH22 ARG 562 2HH2 ARG 562 7.566 -29.933 -1.770 638 H LYS 563 H LYS 563 2.284 -30.417 -5.536 639 HA LYS 563 HA LYS 563 -0.182 -29.570 -4.395 640 HB2 LYS 563 1HB LYS 563 -1.675 -30.976 -5.821 641 HB3 LYS 563 2HB LYS 563 -0.916 -29.574 -6.580 642 HG2 LYS 563 1HG LYS 563 0.722 -31.056 -7.618 643 HG3 LYS 563 2HG LYS 563 0.260 -32.410 -6.737 644 HD2 LYS 563 1HD LYS 563 -1.913 -32.447 -7.848 645 HD3 LYS 563 2HD LYS 563 -1.626 -31.126 -8.780 646 HE2 LYS 563 1HE LYS 563 -0.029 -33.811 -8.498 647 HE3 LYS 563 2HE LYS 563 -1.279 -33.731 -9.627 648 HZ1 LYS 563 3HZ LYS 563 0.820 -33.361 -10.865 649 HZ2 LYS 563 1HZ LYS 563 -0.001 -31.996 -10.936 650 HZ3 LYS 563 2HZ LYS 563 1.198 -32.232 -9.860 651 H1 HOH 1 H2 HOH 1 1.776 -12.735 -2.447 652 H2 HOH 1 H1 HOH 1 2.384 -12.553 -0.949 653 H1 HOH 2 H2 HOH 2 2.848 -14.582 -2.747 654 H2 HOH 2 H1 HOH 2 3.965 -14.817 -3.921 655 H1 HOH 4 H2 HOH 4 5.463 -13.606 -3.486 656 H2 HOH 4 H1 HOH 4 4.709 -13.007 -2.167 657 H1 HOH 3 H2 HOH 3 1.087 -12.204 -4.442 658 H2 HOH 3 H1 HOH 3 -0.371 -11.975 -3.740 Start of MODEL 17 1 H1 GLU 523 1H GLU 523 25.328 14.802 -16.722 2 H2 GLU 523 2H GLU 523 24.738 16.302 -16.166 3 H3 GLU 523 3H GLU 523 26.283 15.840 -16.054 4 HA GLU 523 HA GLU 523 25.672 14.011 -14.705 5 HB2 GLU 523 1HB GLU 523 26.035 16.528 -13.726 6 HB3 GLU 523 2HB GLU 523 24.291 16.564 -13.642 7 HG2 GLU 523 1HG GLU 523 25.142 16.092 -11.323 8 HG3 GLU 523 2HG GLU 523 24.216 14.837 -12.056 9 H PHE 524 H PHE 524 24.283 12.701 -14.139 10 HA PHE 524 HA PHE 524 21.379 12.809 -14.745 11 HB2 PHE 524 1HB PHE 524 23.039 10.752 -15.288 12 HB3 PHE 524 2HB PHE 524 22.958 10.544 -13.573 13 HD1 PHE 524 1HD PHE 524 21.159 10.463 -16.744 14 HD2 PHE 524 2HD PHE 524 20.924 9.533 -12.595 15 HE1 PHE 524 1HE PHE 524 18.863 9.156 -17.082 16 HE2 PHE 524 2HE PHE 524 19.110 7.912 -13.095 17 HZ PHE 524 HZ PHE 524 17.871 8.086 -15.168 18 H GLN 525 H GLN 525 20.122 13.613 -13.308 19 HA GLN 525 HA GLN 525 20.558 13.069 -10.372 20 HB2 GLN 525 1HB GLN 525 19.183 15.300 -11.846 21 HB3 GLN 525 2HB GLN 525 19.263 15.301 -10.067 22 HG2 GLN 525 1HG GLN 525 21.726 15.545 -11.849 23 HG3 GLN 525 2HG GLN 525 20.847 16.872 -11.114 24 HE21 GLN 525 1HE2 GLN 525 20.687 14.458 -8.642 25 HE22 GLN 525 2HE2 GLN 525 21.886 15.264 -7.735 26 H THR 526 H THR 526 18.660 12.344 -9.397 27 HA THR 526 HA THR 526 16.085 12.150 -10.710 28 HB THR 526 HB THR 526 15.758 9.823 -10.274 29 HG1 THR 526 1HG THR 526 17.462 9.217 -8.765 30 HG21 THR 526 3HG2 THR 526 16.927 8.943 -12.188 31 HG22 THR 526 1HG2 THR 526 16.357 10.488 -12.542 32 HG23 THR 526 2HG2 THR 526 18.132 10.266 -12.255 33 H LEU 527 H LEU 527 16.164 14.022 -9.279 34 HA LEU 527 HA LEU 527 16.205 13.570 -6.512 35 HB2 LEU 527 1HB LEU 527 15.682 16.108 -8.224 36 HB3 LEU 527 2HB LEU 527 15.706 16.006 -6.480 37 HG LEU 527 HG LEU 527 18.223 15.402 -8.119 38 HD11 LEU 527 1HD1 LEU 527 17.102 18.004 -7.093 39 HD12 LEU 527 2HD1 LEU 527 18.740 17.791 -7.665 40 HD13 LEU 527 3HD1 LEU 527 17.358 17.694 -8.818 41 HD21 LEU 527 3HD2 LEU 527 19.375 16.098 -6.125 42 HD22 LEU 527 1HD2 LEU 527 17.852 16.229 -5.276 43 HD23 LEU 527 2HD2 LEU 527 18.343 14.660 -5.900 44 H SER 528 H SER 528 14.216 13.962 -5.225 45 HA SER 528 HA SER 528 11.651 13.579 -6.471 46 HB2 SER 528 1HB SER 528 12.694 13.920 -3.529 47 HB3 SER 528 2HB SER 528 11.032 13.533 -4.041 48 HG SER 528 HG SER 528 13.124 11.898 -4.767 49 HA PRO 529 HA PRO 529 10.661 17.854 -6.055 50 HB2 PRO 529 1HB PRO 529 7.887 17.813 -5.791 51 HB3 PRO 529 2HB PRO 529 8.726 17.444 -7.324 52 HG2 PRO 529 1HG PRO 529 7.649 15.415 -5.265 53 HG3 PRO 529 2HG PRO 529 7.603 15.480 -7.061 54 HD2 PRO 529 1HD PRO 529 9.339 14.088 -5.402 55 HD3 PRO 529 2HD PRO 529 9.730 14.569 -7.115 56 H GLU 530 H GLU 530 9.631 19.489 -4.774 57 HA GLU 530 HA GLU 530 10.105 19.214 -1.916 58 HB2 GLU 530 1HB GLU 530 8.532 21.294 -3.581 59 HB3 GLU 530 2HB GLU 530 9.210 21.551 -1.948 60 HG2 GLU 530 1HG GLU 530 10.891 21.174 -4.371 61 HG3 GLU 530 2HG GLU 530 10.557 22.695 -3.444 62 H GLY 531 H GLY 531 8.491 19.604 -0.377 63 HA2 GLY 531 1HA GLY 531 6.193 20.161 0.023 64 HA3 GLY 531 2HA GLY 531 5.674 18.663 -0.934 65 H SER 532 H SER 532 4.846 19.130 1.674 66 HA SER 532 HA SER 532 6.131 16.918 3.172 67 HB2 SER 532 1HB SER 532 7.197 19.106 4.021 68 HB3 SER 532 2HB SER 532 5.627 19.711 4.192 69 HG SER 532 HG SER 532 5.417 18.244 5.883 70 H GLY 533 H GLY 533 4.724 15.518 3.854 71 HA2 GLY 533 1HA GLY 533 1.857 16.172 3.816 72 HA3 GLY 533 2HA GLY 533 2.604 14.631 3.280 73 H ASN 534 H ASN 534 0.679 15.581 5.683 74 HA ASN 534 HA ASN 534 2.047 13.881 7.657 75 HB2 ASN 534 1HB ASN 534 -0.712 15.287 7.916 76 HB3 ASN 534 2HB ASN 534 -0.037 14.391 9.088 77 HD21 ASN 534 1HD2 ASN 534 0.971 15.661 10.778 78 HD22 ASN 534 2HD2 ASN 534 1.747 17.148 10.459 79 H LEU 535 H LEU 535 -0.574 13.887 5.314 80 HA LEU 535 HA LEU 535 -1.475 11.129 5.800 81 HB2 LEU 535 1HB LEU 535 -1.677 13.169 3.462 82 HB3 LEU 535 2HB LEU 535 -2.170 11.614 3.323 83 HG LEU 535 HG LEU 535 -3.527 11.819 5.414 84 HD11 LEU 535 1HD1 LEU 535 -2.701 14.041 6.100 85 HD12 LEU 535 2HD1 LEU 535 -3.432 14.698 4.559 86 HD13 LEU 535 3HD1 LEU 535 -4.424 14.089 5.949 87 HD21 LEU 535 3HD2 LEU 535 -5.529 12.769 3.886 88 HD22 LEU 535 1HD2 LEU 535 -4.339 12.830 2.661 89 HD23 LEU 535 2HD2 LEU 535 -4.597 11.339 3.311 90 H ALA 536 H ALA 536 1.571 12.193 4.994 91 HA ALA 536 HA ALA 536 2.440 10.008 3.430 92 HB1 ALA 536 1HB ALA 536 3.937 11.331 5.804 93 HB2 ALA 536 2HB ALA 536 4.568 10.777 4.287 94 HB3 ALA 536 3HB ALA 536 3.677 12.295 4.341 95 H VAL 537 H VAL 537 1.485 10.298 6.821 96 HA VAL 537 HA VAL 537 2.753 7.952 7.641 97 HB VAL 537 HB VAL 537 0.433 9.491 8.782 98 HG11 VAL 537 1HG1 VAL 537 0.158 7.195 9.606 99 HG12 VAL 537 2HG1 VAL 537 1.777 7.137 10.219 100 HG13 VAL 537 3HG1 VAL 537 0.680 8.216 10.984 101 HG21 VAL 537 3HG2 VAL 537 2.196 10.140 10.534 102 HG22 VAL 537 1HG2 VAL 537 3.355 9.490 9.294 103 HG23 VAL 537 2HG2 VAL 537 2.156 10.785 8.939 104 H ILE 538 H ILE 538 -0.352 8.454 5.975 105 HA ILE 538 HA ILE 538 -1.281 5.745 6.180 106 HB ILE 538 HB ILE 538 -1.395 7.493 3.772 107 HG12 ILE 538 1HG1 ILE 538 -3.354 7.823 6.079 108 HG13 ILE 538 2HG1 ILE 538 -2.248 8.979 5.516 109 HG21 ILE 538 1HG2 ILE 538 -3.532 6.109 3.293 110 HG22 ILE 538 2HG2 ILE 538 -2.247 5.114 3.607 111 HG23 ILE 538 3HG2 ILE 538 -3.451 5.388 4.866 112 HD11 ILE 538 3HD1 ILE 538 -3.500 9.151 3.301 113 HD12 ILE 538 1HD1 ILE 538 -4.586 7.970 3.838 114 HD13 ILE 538 2HD1 ILE 538 -4.541 9.428 4.804 115 H GLY 539 H GLY 539 1.130 7.227 4.064 116 HA2 GLY 539 1HA GLY 539 0.745 5.228 2.164 117 HA3 GLY 539 2HA GLY 539 2.271 6.201 2.291 118 H GLY 540 H GLY 540 2.881 5.488 5.013 119 HA2 GLY 540 1HA GLY 540 4.467 2.982 4.412 120 HA3 GLY 540 2HA GLY 540 4.475 3.986 5.817 121 H VAL 541 H VAL 541 1.559 3.785 6.310 122 HA VAL 541 HA VAL 541 1.321 1.278 7.632 123 HB VAL 541 HB VAL 541 -0.763 3.335 7.063 124 HG11 VAL 541 1HG1 VAL 541 -1.934 1.144 7.308 125 HG12 VAL 541 2HG1 VAL 541 -0.982 0.738 8.672 126 HG13 VAL 541 3HG1 VAL 541 -2.076 2.139 8.779 127 HG21 VAL 541 3HG2 VAL 541 1.113 3.988 8.494 128 HG22 VAL 541 1HG2 VAL 541 -0.355 3.774 9.523 129 HG23 VAL 541 2HG2 VAL 541 0.729 2.566 9.570 130 H ALA 542 H ALA 542 -0.188 2.591 4.662 131 HA ALA 542 HA ALA 542 -1.491 0.178 3.934 132 HB1 ALA 542 1HB ALA 542 -1.047 2.478 2.174 133 HB2 ALA 542 2HB ALA 542 -2.244 1.293 1.934 134 HB3 ALA 542 3HB ALA 542 -2.255 2.467 3.342 135 H VAL 543 H VAL 543 1.613 1.620 2.702 136 HA VAL 543 HA VAL 543 1.925 -0.651 0.916 137 HB VAL 543 HB VAL 543 3.778 1.643 1.822 138 HG11 VAL 543 1HG1 VAL 543 5.290 -0.046 0.921 139 HG12 VAL 543 2HG1 VAL 543 4.214 -0.292 -0.475 140 HG13 VAL 543 3HG1 VAL 543 5.181 1.229 -0.232 141 HG21 VAL 543 3HG2 VAL 543 1.787 2.294 0.609 142 HG22 VAL 543 1HG2 VAL 543 3.228 2.735 -0.238 143 HG23 VAL 543 2HG2 VAL 543 2.185 1.331 -0.732 144 H GLY 544 H GLY 544 2.734 0.031 4.209 145 HA2 GLY 544 1HA GLY 544 4.735 -2.181 4.426 146 HA3 GLY 544 2HA GLY 544 4.028 -1.317 5.638 147 H VAL 545 H VAL 545 1.139 -2.133 4.652 148 HA VAL 545 HA VAL 545 0.979 -4.855 5.314 149 HB VAL 545 HB VAL 545 -0.914 -2.805 4.195 150 HG11 VAL 545 1HG1 VAL 545 -2.727 -4.635 4.931 151 HG12 VAL 545 2HG1 VAL 545 -2.160 -4.581 3.297 152 HG13 VAL 545 3HG1 VAL 545 -1.494 -5.706 4.433 153 HG21 VAL 545 3HG2 VAL 545 -0.188 -2.612 6.569 154 HG22 VAL 545 1HG2 VAL 545 -1.868 -2.939 6.487 155 HG23 VAL 545 2HG2 VAL 545 -0.665 -4.183 6.973 156 H VAL 546 H VAL 546 1.184 -3.245 2.277 157 HA VAL 546 HA VAL 546 0.776 -5.294 0.526 158 HB VAL 546 HB VAL 546 2.682 -2.935 0.154 159 HG11 VAL 546 1HG1 VAL 546 2.282 -3.084 -2.183 160 HG12 VAL 546 2HG1 VAL 546 2.973 -4.558 -1.574 161 HG13 VAL 546 3HG1 VAL 546 1.321 -4.519 -2.071 162 HG21 VAL 546 3HG2 VAL 546 0.765 -1.755 -0.711 163 HG22 VAL 546 1HG2 VAL 546 -0.234 -3.357 -0.673 164 HG23 VAL 546 2HG2 VAL 546 0.016 -2.511 0.679 165 H LEU 547 H LEU 547 3.727 -4.258 2.093 166 HA LEU 547 HA LEU 547 5.594 -6.048 1.073 167 HB2 LEU 547 1HB LEU 547 6.015 -3.894 2.201 168 HB3 LEU 547 2HB LEU 547 5.618 -4.479 3.716 169 HG LEU 547 HG LEU 547 7.456 -6.083 3.847 170 HD11 LEU 547 1HD1 LEU 547 7.964 -6.810 1.794 171 HD12 LEU 547 2HD1 LEU 547 8.057 -5.197 1.117 172 HD13 LEU 547 3HD1 LEU 547 9.357 -5.793 2.260 173 HD21 LEU 547 3HD2 LEU 547 7.816 -3.930 4.806 174 HD22 LEU 547 1HD2 LEU 547 9.271 -4.393 3.897 175 HD23 LEU 547 2HD2 LEU 547 8.085 -3.124 3.354 176 H LEU 548 H LEU 548 4.243 -6.002 4.234 177 HA LEU 548 HA LEU 548 4.795 -8.605 5.214 178 HB2 LEU 548 1HB LEU 548 2.775 -6.594 5.867 179 HB3 LEU 548 2HB LEU 548 2.873 -8.145 6.706 180 HG LEU 548 HG LEU 548 5.180 -6.115 6.484 181 HD11 LEU 548 1HD1 LEU 548 3.486 -4.747 7.561 182 HD12 LEU 548 2HD1 LEU 548 3.032 -6.104 8.480 183 HD13 LEU 548 3HD1 LEU 548 4.558 -5.427 8.813 184 HD21 LEU 548 3HD2 LEU 548 4.753 -8.548 8.222 185 HD22 LEU 548 1HD2 LEU 548 6.087 -8.243 7.205 186 HD23 LEU 548 2HD2 LEU 548 5.965 -7.317 8.659 187 H LEU 549 H LEU 549 2.309 -7.619 2.924 188 HA LEU 549 HA LEU 549 0.696 -9.947 3.416 189 HB2 LEU 549 1HB LEU 549 0.888 -7.958 1.197 190 HB3 LEU 549 2HB LEU 549 -0.034 -9.413 0.793 191 HG LEU 549 HG LEU 549 -0.665 -7.922 3.319 192 HD11 LEU 549 1HD1 LEU 549 -0.824 -6.185 1.623 193 HD12 LEU 549 2HD1 LEU 549 -1.743 -7.319 0.561 194 HD13 LEU 549 3HD1 LEU 549 -2.423 -6.676 2.109 195 HD21 LEU 549 3HD2 LEU 549 -2.798 -8.927 3.134 196 HD22 LEU 549 1HD2 LEU 549 -2.612 -9.465 1.501 197 HD23 LEU 549 2HD2 LEU 549 -1.651 -10.224 2.818 198 H VAL 550 H VAL 550 3.189 -9.308 0.925 199 HA VAL 550 HA VAL 550 2.878 -11.955 -0.223 200 HB VAL 550 HB VAL 550 5.004 -9.814 -0.690 201 HG11 VAL 550 1HG1 VAL 550 5.991 -11.800 -1.486 202 HG12 VAL 550 2HG1 VAL 550 4.400 -12.471 -2.074 203 HG13 VAL 550 3HG1 VAL 550 5.274 -11.248 -2.890 204 HG21 VAL 550 3HG2 VAL 550 2.903 -8.893 -1.292 205 HG22 VAL 550 1HG2 VAL 550 3.734 -9.322 -2.841 206 HG23 VAL 550 2HG2 VAL 550 2.461 -10.322 -2.072 207 H LEU 551 H LEU 551 5.018 -10.346 2.159 208 HA LEU 551 HA LEU 551 6.852 -12.482 2.546 209 HB2 LEU 551 1HB LEU 551 5.991 -10.173 4.182 210 HB3 LEU 551 2HB LEU 551 7.244 -11.312 4.764 211 HG LEU 551 HG LEU 551 7.412 -9.623 2.278 212 HD11 LEU 551 1HD1 LEU 551 7.211 -8.326 4.431 213 HD12 LEU 551 2HD1 LEU 551 8.545 -9.337 5.036 214 HD13 LEU 551 3HD1 LEU 551 8.655 -8.146 3.646 215 HD21 LEU 551 3HD2 LEU 551 9.360 -11.589 3.483 216 HD22 LEU 551 1HD2 LEU 551 9.074 -11.378 1.857 217 HD23 LEU 551 2HD2 LEU 551 10.021 -10.181 2.625 218 H ALA 552 H ALA 552 3.339 -12.037 3.780 219 HA ALA 552 HA ALA 552 3.435 -14.029 5.579 220 HB1 ALA 552 1HB ALA 552 1.201 -14.131 5.407 221 HB2 ALA 552 2HB ALA 552 1.622 -12.441 5.308 222 HB3 ALA 552 3HB ALA 552 1.171 -13.306 3.814 223 H GLY 553 H GLY 553 3.218 -13.959 2.047 224 HA2 GLY 553 1HA GLY 553 2.205 -16.776 1.574 225 HA3 GLY 553 2HA GLY 553 2.670 -15.548 0.442 226 H VAL 554 H VAL 554 5.260 -14.934 1.307 227 HA VAL 554 HA VAL 554 6.779 -17.153 0.086 228 HB VAL 554 HB VAL 554 7.731 -14.583 1.285 229 HG11 VAL 554 1HG1 VAL 554 9.842 -14.890 0.666 230 HG12 VAL 554 2HG1 VAL 554 9.435 -16.556 0.972 231 HG13 VAL 554 3HG1 VAL 554 9.579 -16.161 -0.648 232 HG21 VAL 554 3HG2 VAL 554 6.241 -14.301 -0.739 233 HG22 VAL 554 1HG2 VAL 554 7.827 -13.743 -0.909 234 HG23 VAL 554 2HG2 VAL 554 7.278 -15.297 -1.668 235 H GLY 555 H GLY 555 5.859 -16.294 3.243 236 HA2 GLY 555 1HA GLY 555 7.893 -17.992 4.648 237 HA3 GLY 555 2HA GLY 555 6.752 -16.796 5.278 238 H PHE 556 H PHE 556 5.126 -18.398 2.858 239 HA PHE 556 HA PHE 556 4.155 -20.467 4.739 240 HB2 PHE 556 1HB PHE 556 2.390 -18.830 4.455 241 HB3 PHE 556 2HB PHE 556 2.641 -18.732 2.696 242 HD1 PHE 556 2HD PHE 556 1.814 -21.352 5.421 243 HD2 PHE 556 1HD PHE 556 0.839 -19.887 1.496 244 HE1 PHE 556 2HE PHE 556 -0.137 -22.824 5.347 245 HE2 PHE 556 1HE PHE 556 -0.942 -21.657 1.338 246 HZ PHE 556 HZ PHE 556 -1.466 -22.970 3.376 247 H PHE 557 H PHE 557 4.360 -19.854 1.155 248 HA PHE 557 HA PHE 557 4.451 -22.734 0.647 249 HB2 PHE 557 1HB PHE 557 5.112 -20.497 -1.277 250 HB3 PHE 557 2HB PHE 557 4.472 -22.074 -1.593 251 HD1 PHE 557 1HD PHE 557 2.087 -22.443 -0.488 252 HD2 PHE 557 2HD PHE 557 3.737 -18.629 -1.619 253 HE1 PHE 557 1HE PHE 557 -0.159 -21.642 -1.514 254 HE2 PHE 557 2HE PHE 557 1.389 -17.838 -2.004 255 HZ PHE 557 HZ PHE 557 -0.464 -19.269 -1.969 256 H ILE 558 H ILE 558 6.294 -22.306 2.562 257 HA ILE 558 HA ILE 558 8.381 -23.729 1.202 258 HB ILE 558 HB ILE 558 10.060 -22.813 2.792 259 HG12 ILE 558 1HG1 ILE 558 8.067 -20.729 3.278 260 HG13 ILE 558 2HG1 ILE 558 8.370 -21.876 4.460 261 HG21 ILE 558 1HG2 ILE 558 10.667 -20.969 1.548 262 HG22 ILE 558 2HG2 ILE 558 9.846 -22.058 0.457 263 HG23 ILE 558 3HG2 ILE 558 9.030 -20.608 0.977 264 HD11 ILE 558 3HD1 ILE 558 9.703 -19.714 4.890 265 HD12 ILE 558 1HD1 ILE 558 10.834 -21.109 4.489 266 HD13 ILE 558 2HD1 ILE 558 10.480 -19.833 3.360 267 H HIS 559 H HIS 559 6.113 -23.442 3.857 268 HA HIS 559 HA HIS 559 6.939 -25.976 4.964 269 HB2 HIS 559 1HB HIS 559 8.385 -24.514 6.166 270 HB3 HIS 559 2HB HIS 559 7.161 -23.383 6.607 271 HD2 HIS 559 2HD HIS 559 6.747 -23.544 9.311 272 HE1 HIS 559 1HE HIS 559 6.787 -27.699 9.564 273 HE2 HIS 559 2HE HIS 559 6.695 -25.488 10.851 274 H ARG 560 H ARG 560 4.994 -26.851 4.501 275 HA ARG 560 HA ARG 560 2.530 -25.626 5.704 276 HB2 ARG 560 1HB ARG 560 3.107 -26.820 2.964 277 HB3 ARG 560 2HB ARG 560 1.450 -26.870 3.590 278 HG2 ARG 560 1HG ARG 560 1.414 -24.486 3.848 279 HG3 ARG 560 2HG ARG 560 3.015 -24.214 3.490 280 HD2 ARG 560 1HD ARG 560 0.988 -25.411 1.537 281 HD3 ARG 560 2HD ARG 560 1.402 -23.729 1.561 282 HE ARG 560 HE ARG 560 3.890 -25.054 1.300 283 HH11 ARG 560 1HH1 ARG 560 0.819 -24.657 -0.582 284 HH12 ARG 560 2HH1 ARG 560 1.557 -25.212 -2.010 285 HH21 ARG 560 1HH2 ARG 560 4.890 -25.176 -0.873 286 HH22 ARG 560 2HH2 ARG 560 3.945 -25.439 -2.206 287 H ARG 561 H ARG 561 2.038 -27.012 7.358 288 HA ARG 561 HA ARG 561 2.254 -29.933 7.122 289 HB2 ARG 561 1HB ARG 561 1.325 -27.846 9.177 290 HB3 ARG 561 2HB ARG 561 1.149 -29.387 9.567 291 HG2 ARG 561 1HG ARG 561 3.559 -29.919 9.459 292 HG3 ARG 561 2HG ARG 561 3.984 -28.327 8.923 293 HD2 ARG 561 1HD ARG 561 2.997 -27.371 10.943 294 HD3 ARG 561 2HD ARG 561 2.497 -28.914 11.604 295 HE ARG 561 HE ARG 561 4.898 -29.576 11.455 296 HH11 ARG 561 1HH1 ARG 561 4.196 -26.099 12.095 297 HH12 ARG 561 2HH1 ARG 561 5.540 -25.919 13.050 298 HH21 ARG 561 1HH2 ARG 561 6.927 -29.177 12.406 299 HH22 ARG 561 2HH2 ARG 561 7.176 -27.730 13.250 300 H ARG 562 H ARG 562 -0.025 -27.461 6.519 301 HA ARG 562 HA ARG 562 -2.329 -29.316 6.540 302 HB2 ARG 562 1HB ARG 562 -1.937 -26.396 5.734 303 HB3 ARG 562 2HB ARG 562 -3.459 -27.009 5.584 304 HG2 ARG 562 1HG ARG 562 -3.179 -27.300 8.281 305 HG3 ARG 562 2HG ARG 562 -1.847 -26.228 7.894 306 HD2 ARG 562 1HD ARG 562 -3.596 -24.805 6.644 307 HD3 ARG 562 2HD ARG 562 -4.831 -25.820 7.235 308 HE ARG 562 HE ARG 562 -2.970 -24.035 8.793 309 HH11 ARG 562 1HH1 ARG 562 -6.159 -25.867 9.100 310 HH12 ARG 562 2HH1 ARG 562 -6.792 -24.636 10.039 311 HH21 ARG 562 1HH2 ARG 562 -3.650 -23.017 10.602 312 HH22 ARG 562 2HH2 ARG 562 -5.156 -23.453 11.375 313 H LYS 563 H LYS 563 -3.394 -29.855 4.700 314 HA LYS 563 HA LYS 563 -2.353 -28.682 2.226 315 HB2 LYS 563 1HB LYS 563 -3.332 -31.491 2.673 316 HB3 LYS 563 2HB LYS 563 -3.374 -30.874 1.118 317 HG2 LYS 563 1HG LYS 563 -1.276 -31.143 0.559 318 HG3 LYS 563 2HG LYS 563 -0.581 -30.633 2.127 319 HD2 LYS 563 1HD LYS 563 -2.023 -33.294 1.751 320 HD3 LYS 563 2HD LYS 563 -0.353 -33.041 1.108 321 HE2 LYS 563 1HE LYS 563 0.377 -32.508 3.396 322 HE3 LYS 563 2HE LYS 563 -1.290 -32.648 4.003 323 HZ1 LYS 563 3HZ LYS 563 0.181 -34.543 4.471 324 HZ2 LYS 563 1HZ LYS 563 -0.940 -35.082 3.541 325 HZ3 LYS 563 2HZ LYS 563 0.477 -34.705 2.862 326 H1 GLU 523 1H GLU 523 -14.175 40.792 -17.726 327 H2 GLU 523 2H GLU 523 -14.192 40.190 -19.304 328 H3 GLU 523 3H GLU 523 -15.601 40.091 -18.376 329 HA GLU 523 HA GLU 523 -14.607 38.100 -18.547 330 HB2 GLU 523 1HB GLU 523 -12.167 39.397 -17.486 331 HB3 GLU 523 2HB GLU 523 -12.712 38.174 -16.454 332 HG2 GLU 523 1HG GLU 523 -12.259 37.830 -19.508 333 HG3 GLU 523 2HG GLU 523 -11.237 37.390 -18.165 334 H PHE 524 H PHE 524 -15.123 36.661 -16.852 335 HA PHE 524 HA PHE 524 -15.655 37.647 -14.255 336 HB2 PHE 524 1HB PHE 524 -17.960 36.819 -13.970 337 HB3 PHE 524 2HB PHE 524 -17.683 38.238 -14.744 338 HD1 PHE 524 2HD PHE 524 -17.746 34.761 -16.200 339 HD2 PHE 524 1HD PHE 524 -19.184 38.647 -16.302 340 HE1 PHE 524 2HE PHE 524 -18.892 34.146 -18.356 341 HE2 PHE 524 1HE PHE 524 -20.404 38.116 -18.468 342 HZ PHE 524 HZ PHE 524 -20.438 35.696 -19.353 343 H GLN 525 H GLN 525 -14.266 35.183 -16.018 344 HA GLN 525 HA GLN 525 -15.045 33.049 -14.119 345 HB2 GLN 525 1HB GLN 525 -14.216 33.068 -16.965 346 HB3 GLN 525 2HB GLN 525 -13.981 31.596 -16.128 347 HG2 GLN 525 1HG GLN 525 -16.719 32.872 -16.587 348 HG3 GLN 525 2HG GLN 525 -16.119 31.424 -17.211 349 HE21 GLN 525 1HE2 GLN 525 -18.429 31.809 -15.451 350 HE22 GLN 525 2HE2 GLN 525 -18.181 30.824 -14.088 351 H THR 526 H THR 526 -12.957 31.466 -13.850 352 HA THR 526 HA THR 526 -10.423 32.615 -14.169 353 HB THR 526 HB THR 526 -9.866 32.204 -11.692 354 HG1 THR 526 1HG THR 526 -12.534 32.316 -11.048 355 HG21 THR 526 3HG2 THR 526 -11.991 34.441 -11.844 356 HG22 THR 526 1HG2 THR 526 -10.672 34.342 -10.796 357 HG23 THR 526 2HG2 THR 526 -10.259 34.688 -12.403 358 H LEU 527 H LEU 527 -8.873 30.962 -14.127 359 HA LEU 527 HA LEU 527 -9.781 28.084 -14.113 360 HB2 LEU 527 1HB LEU 527 -7.722 29.546 -15.673 361 HB3 LEU 527 2HB LEU 527 -8.076 27.797 -15.691 362 HG LEU 527 HG LEU 527 -9.858 29.958 -16.756 363 HD11 LEU 527 1HD1 LEU 527 -7.903 29.755 -18.361 364 HD12 LEU 527 2HD1 LEU 527 -7.855 28.067 -18.168 365 HD13 LEU 527 3HD1 LEU 527 -9.162 28.761 -19.118 366 HD21 LEU 527 3HD2 LEU 527 -11.201 28.268 -17.809 367 HD22 LEU 527 1HD2 LEU 527 -10.138 27.101 -17.091 368 HD23 LEU 527 2HD2 LEU 527 -11.245 28.025 -16.041 369 H SER 528 H SER 528 -9.263 29.450 -11.738 370 HA SER 528 HA SER 528 -6.579 29.197 -10.885 371 HB2 SER 528 1HB SER 528 -7.677 29.667 -8.821 372 HB3 SER 528 2HB SER 528 -8.503 30.596 -10.042 373 HG SER 528 HG SER 528 -9.153 28.405 -8.525 374 HA PRO 529 HA PRO 529 -6.184 24.845 -10.154 375 HB2 PRO 529 1HB PRO 529 -4.148 24.934 -8.202 376 HB3 PRO 529 2HB PRO 529 -3.963 25.219 -9.962 377 HG2 PRO 529 1HG PRO 529 -3.874 27.352 -7.944 378 HG3 PRO 529 2HG PRO 529 -3.007 27.301 -9.377 379 HD2 PRO 529 1HD PRO 529 -5.335 28.753 -9.131 380 HD3 PRO 529 2HD PRO 529 -4.764 28.158 -10.659 381 H GLU 530 H GLU 530 -7.701 23.783 -8.942 382 HA GLU 530 HA GLU 530 -7.896 24.067 -6.037 383 HB2 GLU 530 1HB GLU 530 -9.197 22.392 -8.183 384 HB3 GLU 530 2HB GLU 530 -9.644 22.171 -6.475 385 HG2 GLU 530 1HG GLU 530 -10.133 24.639 -8.170 386 HG3 GLU 530 2HG GLU 530 -11.216 23.443 -7.738 387 H GLY 531 H GLY 531 -6.369 22.895 -4.816 388 HA2 GLY 531 1HA GLY 531 -5.794 20.100 -5.485 389 HA3 GLY 531 2HA GLY 531 -4.521 21.224 -5.065 390 H SER 532 H SER 532 -6.888 19.268 -3.603 391 HA SER 532 HA SER 532 -5.894 20.173 -0.923 392 HB2 SER 532 1HB SER 532 -8.122 20.381 -0.105 393 HB3 SER 532 2HB SER 532 -8.187 21.475 -1.432 394 HG SER 532 HG SER 532 -9.083 19.728 -2.687 395 H GLY 533 H GLY 533 -6.242 17.829 -3.091 396 HA2 GLY 533 1HA GLY 533 -6.536 15.617 -0.928 397 HA3 GLY 533 2HA GLY 533 -7.234 15.689 -2.477 398 H ASN 534 H ASN 534 -3.992 17.020 -1.726 399 HA ASN 534 HA ASN 534 -2.993 15.531 -3.939 400 HB2 ASN 534 1HB ASN 534 -1.595 17.288 -1.735 401 HB3 ASN 534 2HB ASN 534 -0.828 16.918 -3.292 402 HD21 ASN 534 1HD2 ASN 534 -0.633 18.440 -4.532 403 HD22 ASN 534 2HD2 ASN 534 -1.694 19.856 -4.761 404 H LEU 535 H LEU 535 -2.882 14.855 -0.548 405 HA LEU 535 HA LEU 535 -0.723 12.803 -1.083 406 HB2 LEU 535 1HB LEU 535 -1.784 14.126 1.534 407 HB3 LEU 535 2HB LEU 535 -0.848 12.719 1.489 408 HG LEU 535 HG LEU 535 0.258 14.991 2.144 409 HD11 LEU 535 1HD1 LEU 535 1.534 12.879 1.449 410 HD12 LEU 535 2HD1 LEU 535 1.433 13.446 -0.129 411 HD13 LEU 535 3HD1 LEU 535 2.410 14.395 0.996 412 HD21 LEU 535 3HD2 LEU 535 0.140 15.839 -0.733 413 HD22 LEU 535 1HD2 LEU 535 -0.761 16.374 0.608 414 HD23 LEU 535 2HD2 LEU 535 0.996 16.585 0.573 415 H ALA 536 H ALA 536 -4.152 13.417 0.115 416 HA ALA 536 HA ALA 536 -4.900 11.077 1.159 417 HB1 ALA 536 1HB ALA 536 -6.243 13.220 1.094 418 HB2 ALA 536 2HB ALA 536 -6.649 12.896 -0.557 419 HB3 ALA 536 3HB ALA 536 -7.066 11.810 0.652 420 H VAL 537 H VAL 537 -4.257 11.636 -2.197 421 HA VAL 537 HA VAL 537 -5.672 9.491 -3.287 422 HB VAL 537 HB VAL 537 -3.501 9.550 -4.934 423 HG11 VAL 537 1HG1 VAL 537 -4.475 10.923 -6.265 424 HG12 VAL 537 2HG1 VAL 537 -5.873 10.473 -5.278 425 HG13 VAL 537 3HG1 VAL 537 -5.082 12.011 -4.882 426 HG21 VAL 537 3HG2 VAL 537 -2.094 11.478 -4.808 427 HG22 VAL 537 1HG2 VAL 537 -3.289 12.245 -3.658 428 HG23 VAL 537 2HG2 VAL 537 -2.185 10.952 -3.176 429 H ILE 538 H ILE 538 -2.733 9.333 -1.374 430 HA ILE 538 HA ILE 538 -1.768 6.957 -2.060 431 HB ILE 538 HB ILE 538 -1.942 8.271 0.610 432 HG12 ILE 538 1HG1 ILE 538 0.505 8.420 -1.214 433 HG13 ILE 538 2HG1 ILE 538 -0.838 9.500 -1.333 434 HG21 ILE 538 1HG2 ILE 538 -0.955 5.706 0.576 435 HG22 ILE 538 2HG2 ILE 538 0.264 6.425 -0.447 436 HG23 ILE 538 3HG2 ILE 538 0.030 7.084 1.218 437 HD11 ILE 538 3HD1 ILE 538 -0.217 10.224 1.202 438 HD12 ILE 538 1HD1 ILE 538 1.004 9.000 1.115 439 HD13 ILE 538 2HD1 ILE 538 0.960 10.502 0.248 440 H GLY 539 H GLY 539 -4.465 7.821 -0.098 441 HA2 GLY 539 1HA GLY 539 -5.067 5.562 1.643 442 HA3 GLY 539 2HA GLY 539 -6.113 6.843 1.285 443 H GLY 540 H GLY 540 -5.669 6.419 -1.670 444 HA2 GLY 540 1HA GLY 540 -7.833 4.361 -1.835 445 HA3 GLY 540 2HA GLY 540 -7.552 5.671 -3.098 446 H VAL 541 H VAL 541 -4.749 5.522 -3.573 447 HA VAL 541 HA VAL 541 -4.585 3.247 -5.145 448 HB VAL 541 HB VAL 541 -2.618 5.390 -4.303 449 HG11 VAL 541 1HG1 VAL 541 -0.950 4.714 -5.934 450 HG12 VAL 541 2HG1 VAL 541 -1.282 3.534 -4.617 451 HG13 VAL 541 3HG1 VAL 541 -1.967 3.312 -6.251 452 HG21 VAL 541 3HG2 VAL 541 -4.437 6.151 -5.770 453 HG22 VAL 541 1HG2 VAL 541 -2.884 6.136 -6.666 454 HG23 VAL 541 2HG2 VAL 541 -4.083 4.864 -6.836 455 H ALA 542 H ALA 542 -2.877 3.739 -1.836 456 HA ALA 542 HA ALA 542 -1.553 1.233 -2.250 457 HB1 ALA 542 1HB ALA 542 -0.531 3.234 -1.046 458 HB2 ALA 542 2HB ALA 542 -1.813 2.978 0.128 459 HB3 ALA 542 3HB ALA 542 -0.566 1.781 -0.045 460 H VAL 543 H VAL 543 -4.345 2.343 -0.192 461 HA VAL 543 HA VAL 543 -4.713 -0.238 0.788 462 HB VAL 543 HB VAL 543 -6.738 2.031 0.544 463 HG11 VAL 543 1HG1 VAL 543 -6.712 -0.400 2.286 464 HG12 VAL 543 2HG1 VAL 543 -7.450 1.160 2.816 465 HG13 VAL 543 3HG1 VAL 543 -7.956 0.332 1.295 466 HG21 VAL 543 3HG2 VAL 543 -4.604 1.679 2.696 467 HG22 VAL 543 1HG2 VAL 543 -4.781 3.051 1.567 468 HG23 VAL 543 2HG2 VAL 543 -5.884 2.858 2.804 469 H GLY 544 H GLY 544 -5.318 1.021 -2.211 470 HA2 GLY 544 1HA GLY 544 -7.701 -0.700 -3.022 471 HA3 GLY 544 2HA GLY 544 -6.870 0.474 -3.950 472 H VAL 545 H VAL 545 -4.160 -0.243 -3.715 473 HA VAL 545 HA VAL 545 -3.852 -2.613 -5.117 474 HB VAL 545 HB VAL 545 -2.135 -0.893 -3.441 475 HG11 VAL 545 1HG1 VAL 545 -0.856 -2.687 -3.127 476 HG12 VAL 545 2HG1 VAL 545 -0.923 -3.266 -4.731 477 HG13 VAL 545 3HG1 VAL 545 0.023 -1.827 -4.351 478 HG21 VAL 545 3HG2 VAL 545 -1.374 -0.224 -5.717 479 HG22 VAL 545 1HG2 VAL 545 -2.189 -1.471 -6.539 480 HG23 VAL 545 2HG2 VAL 545 -3.104 -0.153 -5.922 481 H VAL 546 H VAL 546 -3.893 -2.032 -1.712 482 HA VAL 546 HA VAL 546 -3.304 -4.645 -0.752 483 HB VAL 546 HB VAL 546 -4.833 -2.391 0.479 484 HG11 VAL 546 1HG1 VAL 546 -4.705 -3.458 2.620 485 HG12 VAL 546 2HG1 VAL 546 -5.910 -4.299 1.614 486 HG13 VAL 546 3HG1 VAL 546 -4.344 -5.062 1.856 487 HG21 VAL 546 3HG2 VAL 546 -2.254 -3.650 1.181 488 HG22 VAL 546 1HG2 VAL 546 -2.312 -2.286 0.208 489 HG23 VAL 546 2HG2 VAL 546 -2.866 -2.355 1.961 490 H LEU 547 H LEU 547 -6.477 -3.258 -1.520 491 HA LEU 547 HA LEU 547 -8.239 -5.494 -1.115 492 HB2 LEU 547 1HB LEU 547 -8.513 -2.744 -1.983 493 HB3 LEU 547 2HB LEU 547 -8.798 -3.692 -3.363 494 HG LEU 547 HG LEU 547 -10.772 -3.219 -2.446 495 HD11 LEU 547 1HD1 LEU 547 -10.422 -5.491 -3.449 496 HD12 LEU 547 2HD1 LEU 547 -10.739 -6.197 -1.849 497 HD13 LEU 547 3HD1 LEU 547 -11.884 -5.276 -2.713 498 HD21 LEU 547 3HD2 LEU 547 -10.339 -2.726 -0.101 499 HD22 LEU 547 1HD2 LEU 547 -11.607 -3.790 -0.200 500 HD23 LEU 547 2HD2 LEU 547 -10.038 -4.397 0.251 501 H LEU 548 H LEU 548 -6.650 -4.483 -4.079 502 HA LEU 548 HA LEU 548 -7.262 -6.856 -5.587 503 HB2 LEU 548 1HB LEU 548 -5.197 -4.628 -5.923 504 HB3 LEU 548 2HB LEU 548 -5.110 -5.867 -6.939 505 HG LEU 548 HG LEU 548 -7.832 -4.483 -6.575 506 HD11 LEU 548 1HD1 LEU 548 -5.937 -2.877 -7.263 507 HD12 LEU 548 2HD1 LEU 548 -5.689 -3.801 -8.684 508 HD13 LEU 548 3HD1 LEU 548 -7.209 -3.108 -8.628 509 HD21 LEU 548 3HD2 LEU 548 -6.966 -5.807 -9.077 510 HD22 LEU 548 1HD2 LEU 548 -7.827 -6.687 -7.720 511 HD23 LEU 548 2HD2 LEU 548 -8.554 -5.390 -8.604 512 H LEU 549 H LEU 549 -4.264 -6.164 -3.705 513 HA LEU 549 HA LEU 549 -3.063 -8.603 -4.358 514 HB2 LEU 549 1HB LEU 549 -1.748 -6.782 -3.435 515 HB3 LEU 549 2HB LEU 549 -2.590 -6.869 -1.947 516 HG LEU 549 HG LEU 549 -1.674 -9.007 -1.307 517 HD11 LEU 549 1HD1 LEU 549 0.057 -10.212 -2.712 518 HD12 LEU 549 2HD1 LEU 549 -1.552 -10.249 -3.421 519 HD13 LEU 549 3HD1 LEU 549 -0.274 -9.180 -4.037 520 HD21 LEU 549 3HD2 LEU 549 0.725 -8.469 -1.312 521 HD22 LEU 549 1HD2 LEU 549 0.428 -7.160 -2.505 522 HD23 LEU 549 2HD2 LEU 549 -0.186 -7.018 -0.961 523 H VAL 550 H VAL 550 -5.242 -7.795 -1.593 524 HA VAL 550 HA VAL 550 -5.027 -10.273 -0.414 525 HB VAL 550 HB VAL 550 -7.089 -8.008 -0.437 526 HG11 VAL 550 1HG1 VAL 550 -8.663 -9.432 -0.055 527 HG12 VAL 550 2HG1 VAL 550 -7.722 -10.698 0.807 528 HG13 VAL 550 3HG1 VAL 550 -8.116 -9.310 1.633 529 HG21 VAL 550 3HG2 VAL 550 -5.086 -9.001 1.574 530 HG22 VAL 550 1HG2 VAL 550 -5.090 -7.570 0.665 531 HG23 VAL 550 2HG2 VAL 550 -6.412 -7.780 1.848 532 H LEU 551 H LEU 551 -7.337 -9.179 -3.082 533 HA LEU 551 HA LEU 551 -8.679 -11.781 -3.147 534 HB2 LEU 551 1HB LEU 551 -8.472 -9.555 -5.086 535 HB3 LEU 551 2HB LEU 551 -9.308 -10.876 -5.507 536 HG LEU 551 HG LEU 551 -10.247 -9.425 -2.959 537 HD11 LEU 551 1HD1 LEU 551 -11.006 -8.758 -5.776 538 HD12 LEU 551 2HD1 LEU 551 -11.885 -8.220 -4.321 539 HD13 LEU 551 3HD1 LEU 551 -10.256 -7.658 -4.476 540 HD21 LEU 551 3HD2 LEU 551 -11.186 -11.800 -3.638 541 HD22 LEU 551 1HD2 LEU 551 -12.181 -10.539 -3.135 542 HD23 LEU 551 2HD2 LEU 551 -12.045 -10.730 -4.852 543 H ALA 552 H ALA 552 -5.778 -10.379 -4.512 544 HA ALA 552 HA ALA 552 -5.391 -12.387 -6.534 545 HB1 ALA 552 1HB ALA 552 -4.067 -10.102 -6.597 546 HB2 ALA 552 2HB ALA 552 -3.151 -10.790 -5.218 547 HB3 ALA 552 3HB ALA 552 -3.185 -11.590 -6.801 548 H GLY 553 H GLY 553 -4.287 -11.862 -3.172 549 HA2 GLY 553 1HA GLY 553 -2.593 -13.961 -2.756 550 HA3 GLY 553 2HA GLY 553 -3.553 -12.961 -1.526 551 H VAL 554 H VAL 554 -6.037 -13.604 -1.904 552 HA VAL 554 HA VAL 554 -6.339 -16.319 -0.920 553 HB VAL 554 HB VAL 554 -8.186 -14.092 -1.792 554 HG11 VAL 554 1HG1 VAL 554 -10.055 -15.271 -0.704 555 HG12 VAL 554 2HG1 VAL 554 -9.529 -15.960 -2.147 556 HG13 VAL 554 3HG1 VAL 554 -9.073 -16.835 -0.752 557 HG21 VAL 554 3HG2 VAL 554 -6.686 -13.935 0.301 558 HG22 VAL 554 1HG2 VAL 554 -8.460 -13.667 0.545 559 HG23 VAL 554 2HG2 VAL 554 -7.658 -15.080 1.067 560 H GLY 555 H GLY 555 -6.745 -14.773 -4.196 561 HA2 GLY 555 1HA GLY 555 -7.831 -16.977 -5.401 562 HA3 GLY 555 2HA GLY 555 -6.942 -15.714 -6.284 563 H PHE 556 H PHE 556 -4.485 -15.951 -4.863 564 HA PHE 556 HA PHE 556 -3.260 -18.050 -6.503 565 HB2 PHE 556 1HB PHE 556 -2.173 -15.740 -5.768 566 HB3 PHE 556 2HB PHE 556 -2.198 -16.454 -4.135 567 HD1 PHE 556 1HD PHE 556 -1.145 -17.454 -7.698 568 HD2 PHE 556 2HD PHE 556 -0.006 -17.365 -3.597 569 HE1 PHE 556 1HE PHE 556 0.979 -18.393 -8.324 570 HE2 PHE 556 2HE PHE 556 2.176 -18.224 -4.189 571 HZ PHE 556 HZ PHE 556 2.811 -18.589 -6.656 572 H PHE 557 H PHE 557 -3.964 -17.667 -2.951 573 HA PHE 557 HA PHE 557 -2.797 -20.072 -2.072 574 HB2 PHE 557 1HB PHE 557 -2.894 -18.252 -0.765 575 HB3 PHE 557 2HB PHE 557 -4.592 -18.051 -1.037 576 HD1 PHE 557 1HD PHE 557 -2.659 -21.129 0.052 577 HD2 PHE 557 2HD PHE 557 -5.759 -18.403 0.982 578 HE1 PHE 557 1HE PHE 557 -3.182 -22.525 2.012 579 HE2 PHE 557 2HE PHE 557 -6.402 -19.826 2.922 580 HZ PHE 557 HZ PHE 557 -5.175 -21.815 3.462 581 H ILE 558 H ILE 558 -6.262 -19.291 -2.958 582 HA ILE 558 HA ILE 558 -7.200 -21.929 -2.520 583 HB ILE 558 HB ILE 558 -7.781 -19.902 -4.531 584 HG12 ILE 558 1HG1 ILE 558 -9.458 -20.777 -2.076 585 HG13 ILE 558 2HG1 ILE 558 -8.289 -19.616 -1.889 586 HG21 ILE 558 1HG2 ILE 558 -9.422 -22.363 -4.024 587 HG22 ILE 558 2HG2 ILE 558 -9.987 -20.941 -5.037 588 HG23 ILE 558 3HG2 ILE 558 -8.632 -21.917 -5.468 589 HD11 ILE 558 3HD1 ILE 558 -10.939 -19.368 -3.512 590 HD12 ILE 558 1HD1 ILE 558 -10.547 -18.569 -2.136 591 HD13 ILE 558 2HD1 ILE 558 -9.701 -18.179 -3.691 592 H HIS 559 H HIS 559 -5.687 -20.658 -5.390 593 HA HIS 559 HA HIS 559 -5.772 -22.859 -6.968 594 HB2 HIS 559 1HB HIS 559 -4.945 -20.476 -7.624 595 HB3 HIS 559 2HB HIS 559 -3.358 -20.903 -7.126 596 HD2 HIS 559 2HD HIS 559 -4.834 -20.645 -10.393 597 HE1 HIS 559 1HE HIS 559 -2.118 -23.821 -10.715 598 HE2 HIS 559 2HE HIS 559 -3.486 -22.052 -11.978 599 H ARG 560 H ARG 560 -3.249 -22.112 -4.756 600 HA ARG 560 HA ARG 560 -1.563 -24.569 -5.174 601 HB2 ARG 560 1HB ARG 560 -1.686 -22.546 -2.884 602 HB3 ARG 560 2HB ARG 560 -0.478 -23.708 -3.173 603 HG2 ARG 560 1HG ARG 560 -0.939 -21.559 -5.328 604 HG3 ARG 560 2HG ARG 560 0.067 -21.278 -3.985 605 HD2 ARG 560 1HD ARG 560 1.687 -22.587 -4.566 606 HD3 ARG 560 2HD ARG 560 0.714 -23.849 -5.157 607 HE ARG 560 HE ARG 560 0.301 -22.240 -7.123 608 HH11 ARG 560 1HH1 ARG 560 3.623 -22.225 -5.473 609 HH12 ARG 560 2HH1 ARG 560 4.241 -21.231 -6.767 610 HH21 ARG 560 1HH2 ARG 560 1.398 -21.459 -8.722 611 HH22 ARG 560 2HH2 ARG 560 3.133 -21.072 -8.734 612 H ARG 561 H ARG 561 -4.418 -24.853 -4.591 613 HA ARG 561 HA ARG 561 -4.330 -27.024 -2.614 614 HB2 ARG 561 1HB ARG 561 -6.202 -24.633 -2.346 615 HB3 ARG 561 2HB ARG 561 -6.345 -26.200 -1.514 616 HG2 ARG 561 1HG ARG 561 -3.969 -25.760 -0.676 617 HG3 ARG 561 2HG ARG 561 -4.216 -24.157 -1.004 618 HD2 ARG 561 1HD ARG 561 -4.914 -23.936 1.065 619 HD3 ARG 561 2HD ARG 561 -6.525 -24.240 0.215 620 HE ARG 561 HE ARG 561 -5.280 -26.579 1.229 621 HH11 ARG 561 1HH1 ARG 561 -7.778 -24.152 1.955 622 HH12 ARG 561 2HH1 ARG 561 -8.848 -25.398 2.641 623 HH21 ARG 561 1HH2 ARG 561 -6.600 -27.999 2.330 624 HH22 ARG 561 2HH2 ARG 561 -8.088 -27.495 2.893 625 H ARG 562 H ARG 562 -4.737 -26.196 -5.685 626 HA ARG 562 HA ARG 562 -7.168 -27.754 -6.334 627 HB2 ARG 562 1HB ARG 562 -4.898 -26.535 -7.888 628 HB3 ARG 562 2HB ARG 562 -6.005 -27.344 -8.733 629 HG2 ARG 562 1HG ARG 562 -7.890 -25.871 -7.841 630 HG3 ARG 562 2HG ARG 562 -6.668 -24.902 -7.108 631 HD2 ARG 562 1HD ARG 562 -5.472 -24.699 -9.390 632 HD3 ARG 562 2HD ARG 562 -6.951 -25.332 -10.065 633 HE ARG 562 HE ARG 562 -7.929 -23.588 -8.475 634 HH11 ARG 562 1HH1 ARG 562 -5.969 -23.831 -11.390 635 HH12 ARG 562 2HH1 ARG 562 -6.576 -22.477 -12.178 636 HH21 ARG 562 1HH2 ARG 562 -8.642 -21.462 -9.417 637 HH22 ARG 562 2HH2 ARG 562 -8.460 -21.144 -11.050 638 H LYS 563 H LYS 563 -4.268 -28.952 -5.194 639 HA LYS 563 HA LYS 563 -4.332 -31.510 -6.572 640 HB2 LYS 563 1HB LYS 563 -2.132 -31.497 -7.356 641 HB3 LYS 563 2HB LYS 563 -3.100 -30.350 -8.222 642 HG2 LYS 563 1HG LYS 563 -1.946 -28.503 -6.675 643 HG3 LYS 563 2HG LYS 563 -1.051 -29.835 -6.012 644 HD2 LYS 563 1HD LYS 563 -0.349 -29.837 -8.775 645 HD3 LYS 563 2HD LYS 563 -0.913 -28.231 -8.628 646 HE2 LYS 563 1HE LYS 563 0.757 -28.018 -6.602 647 HE3 LYS 563 2HE LYS 563 1.326 -29.596 -6.979 648 HZ1 LYS 563 3HZ LYS 563 1.883 -28.620 -9.265 649 HZ2 LYS 563 1HZ LYS 563 1.382 -27.208 -8.463 650 HZ3 LYS 563 2HZ LYS 563 2.672 -27.879 -7.971
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