NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23953 | 2jzd | 15618 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY -4 H GLY -4 -0.188 17.437 7.080 2 HA2 GLY -4 1HA GLY -4 -2.787 16.425 6.080 3 HA3 GLY -4 2HA GLY -4 -1.226 15.853 5.466 4 H SER -3 H SER -3 -3.647 14.942 7.371 5 HA SER -3 HA SER -3 -2.065 13.234 9.190 6 HG SER -3 HG SER -3 -2.106 15.809 11.424 7 HB2 SER -3 1HB SER -3 -3.798 15.584 9.961 8 HB3 SER -3 2HB SER -3 -3.802 14.162 11.005 9 H HIS -2 H HIS -2 -5.139 13.977 7.525 10 HA HIS -2 HA HIS -2 -6.694 11.871 8.734 11 HD1 HIS -2 1HD HIS -2 -9.436 14.955 6.354 12 HD2 HIS -2 2HD HIS -2 -8.305 12.856 9.868 13 HE1 HIS -2 1HE HIS -2 -11.233 15.407 8.129 14 HE2 HIS -2 2HE HIS -2 -10.541 14.180 10.242 15 HB2 HIS -2 1HB HIS -2 -6.957 13.725 6.332 16 HB3 HIS -2 2HB HIS -2 -7.998 12.342 6.418 17 H MET -1 H MET -1 -7.783 10.279 7.293 18 HA MET -1 HA MET -1 -5.913 8.775 5.538 19 HB2 MET -1 1HB MET -1 -7.863 7.836 7.694 20 HB3 MET -1 2HB MET -1 -7.312 6.772 6.416 21 HG2 MET -1 1HG MET -1 -5.903 6.375 8.191 22 HG3 MET -1 2HG MET -1 -4.954 7.252 7.001 23 HE1 MET -1 3HE MET -1 -3.438 6.956 9.349 24 HE2 MET -1 1HE MET -1 -3.019 8.245 8.199 25 HE3 MET -1 2HE MET -1 -3.035 8.575 9.951 26 H GLY 527 H GLY 527 -7.923 6.955 4.587 27 HA2 GLY 527 1HA GLY 527 -9.967 6.923 3.423 28 HA3 GLY 527 2HA GLY 527 -10.002 8.679 3.397 29 H THR 528 H THR 528 -10.303 6.861 1.138 30 HA THR 528 HA THR 528 -8.075 6.531 -0.385 31 HB THR 528 HB THR 528 -10.856 7.057 -1.490 32 HG1 THR 528 1HG THR 528 -11.437 5.669 -0.107 33 HG21 THR 528 3HG2 THR 528 -10.337 5.205 -3.031 34 HG22 THR 528 1HG2 THR 528 -9.180 6.521 -3.216 35 HG23 THR 528 2HG2 THR 528 -8.713 5.047 -2.343 36 H VAL 529 H VAL 529 -7.137 7.585 -2.190 37 HA VAL 529 HA VAL 529 -8.013 10.291 -2.915 38 HB VAL 529 HB VAL 529 -5.677 11.083 -2.803 39 HG11 VAL 529 1HG1 VAL 529 -5.491 11.461 -0.454 40 HG12 VAL 529 2HG1 VAL 529 -7.219 11.428 -0.838 41 HG13 VAL 529 3HG1 VAL 529 -6.470 10.029 -0.058 42 HG21 VAL 529 3HG2 VAL 529 -5.112 8.409 -1.464 43 HG22 VAL 529 1HG2 VAL 529 -4.436 8.986 -3.001 44 HG23 VAL 529 2HG2 VAL 529 -4.019 9.763 -1.455 45 H SER 530 H SER 530 -6.367 10.862 -4.906 46 HA SER 530 HA SER 530 -5.942 8.420 -6.549 47 HG SER 530 HG SER 530 -7.235 11.635 -6.445 48 HB2 SER 530 1HB SER 530 -6.533 9.845 -8.520 49 HB3 SER 530 2HB SER 530 -7.875 9.401 -7.467 50 H TRP 531 H TRP 531 -3.839 8.485 -5.521 51 HA TRP 531 HA TRP 531 -2.070 10.702 -6.493 52 HD1 TRP 531 HD TRP 531 -3.303 12.073 -4.997 53 HE1 TRP 531 1HE TRP 531 -3.825 13.339 -2.882 54 HE3 TRP 531 3HE TRP 531 -0.489 9.300 -1.765 55 HZ2 TRP 531 2HZ TRP 531 -3.344 12.972 0.015 56 HZ3 TRP 531 3HZ TRP 531 -0.597 9.720 0.654 57 HH2 TRP 531 HH TRP 531 -2.046 11.562 1.566 58 HB2 TRP 531 1HB TRP 531 -1.754 8.764 -4.185 59 HB3 TRP 531 2HB TRP 531 -0.517 9.846 -4.721 60 H ASN 532 H ASN 532 0.204 9.835 -6.855 61 HA ASN 532 HA ASN 532 0.110 7.298 -8.391 62 HB2 ASN 532 1HB ASN 532 1.869 8.214 -9.789 63 HB3 ASN 532 2HB ASN 532 0.460 9.262 -9.853 64 HD21 ASN 532 1HD2 ASN 532 3.151 10.090 -10.550 65 HD22 ASN 532 2HD2 ASN 532 3.412 11.504 -9.517 66 H LEU 533 H LEU 533 2.470 6.480 -8.465 67 HA LEU 533 HA LEU 533 3.267 5.747 -5.906 68 HG LEU 533 HG LEU 533 5.870 3.679 -7.677 69 HB2 LEU 533 1HB LEU 533 3.820 4.723 -8.162 70 HB3 LEU 533 2HB LEU 533 5.094 5.910 -8.343 71 HD11 LEU 533 1HD1 LEU 533 7.168 5.724 -6.989 72 HD12 LEU 533 2HD1 LEU 533 6.442 5.564 -5.382 73 HD13 LEU 533 3HD1 LEU 533 7.453 4.268 -6.009 74 HD21 LEU 533 3HD2 LEU 533 5.481 2.765 -5.438 75 HD22 LEU 533 1HD2 LEU 533 4.393 4.099 -5.051 76 HD23 LEU 533 2HD2 LEU 533 3.962 2.940 -6.330 77 H ARG 534 H ARG 534 4.487 8.492 -7.883 78 HA ARG 534 HA ARG 534 6.629 9.322 -6.239 79 HE ARG 534 HE ARG 534 8.434 11.149 -10.441 80 HB2 ARG 534 1HB ARG 534 4.670 11.088 -7.790 81 HB3 ARG 534 2HB ARG 534 6.165 11.617 -7.074 82 HG2 ARG 534 1HG ARG 534 7.426 10.037 -8.568 83 HG3 ARG 534 2HG ARG 534 5.897 9.638 -9.374 84 HD2 ARG 534 1HD ARG 534 5.579 11.911 -10.080 85 HD3 ARG 534 2HD ARG 534 6.887 12.512 -9.052 86 HH11 ARG 534 2HH2 ARG 534 5.504 12.569 -11.845 87 HH12 ARG 534 1HH2 ARG 534 6.112 12.607 -13.467 88 HH21 ARG 534 2HH1 ARG 534 9.320 11.323 -12.513 89 HH22 ARG 534 1HH1 ARG 534 8.425 11.888 -13.864 90 H GLU 535 H GLU 535 3.158 10.419 -6.090 91 HA GLU 535 HA GLU 535 3.609 12.139 -3.933 92 HB2 GLU 535 1HB GLU 535 1.230 10.938 -5.304 93 HB3 GLU 535 2HB GLU 535 1.015 11.964 -3.907 94 HG2 GLU 535 1HG GLU 535 2.836 12.898 -6.157 95 HG3 GLU 535 2HG GLU 535 1.099 12.980 -6.374 96 H MET 536 H MET 536 2.443 8.747 -4.066 97 HA MET 536 HA MET 536 1.972 8.408 -1.275 98 HB2 MET 536 1HB MET 536 3.128 6.408 -3.266 99 HB3 MET 536 2HB MET 536 2.574 6.030 -1.631 100 HG2 MET 536 1HG MET 536 0.291 6.747 -2.221 101 HG3 MET 536 2HG MET 536 0.830 7.095 -3.867 102 HE1 MET 536 3HE MET 536 -1.491 4.978 -2.853 103 HE2 MET 536 1HE MET 536 -1.167 5.589 -4.499 104 HE3 MET 536 2HE MET 536 -1.278 3.840 -4.214 105 H LEU 537 H LEU 537 5.013 7.900 -3.133 106 HA LEU 537 HA LEU 537 6.631 7.113 -0.947 107 HG LEU 537 HG LEU 537 9.226 6.784 -1.894 108 HB2 LEU 537 1HB LEU 537 6.960 7.598 -3.748 109 HB3 LEU 537 2HB LEU 537 8.106 8.645 -2.970 110 HD11 LEU 537 1HD1 LEU 537 7.447 5.188 -1.511 111 HD12 LEU 537 2HD1 LEU 537 7.116 5.044 -3.247 112 HD13 LEU 537 3HD1 LEU 537 8.643 4.437 -2.563 113 HD21 LEU 537 3HD2 LEU 537 8.675 6.519 -4.890 114 HD22 LEU 537 1HD2 LEU 537 9.973 7.425 -4.106 115 HD23 LEU 537 2HD2 LEU 537 9.979 5.649 -4.065 116 H ALA 538 H ALA 538 6.029 10.328 -2.358 117 HA ALA 538 HA ALA 538 7.868 11.788 -0.793 118 HB1 ALA 538 1HB ALA 538 5.238 12.701 -2.065 119 HB2 ALA 538 2HB ALA 538 6.488 13.775 -1.417 120 HB3 ALA 538 3HB ALA 538 6.841 12.750 -2.815 121 H HIS 539 H HIS 539 4.418 11.227 -0.420 122 HA HIS 539 HA HIS 539 3.937 12.647 1.979 123 HD1 HIS 539 1HD HIS 539 1.451 13.788 2.053 124 HD2 HIS 539 2HD HIS 539 0.604 9.721 2.830 125 HE1 HIS 539 1HE HIS 539 -0.369 13.761 3.823 126 HE2 HIS 539 2HE HIS 539 -0.877 11.257 4.347 127 HB2 HIS 539 1HB HIS 539 2.312 11.586 0.262 128 HB3 HIS 539 2HB HIS 539 2.488 10.098 1.123 129 H ALA 540 H ALA 540 4.557 9.229 1.416 130 HA ALA 540 HA ALA 540 4.623 8.334 4.130 131 HB1 ALA 540 1HB ALA 540 6.294 7.229 1.821 132 HB2 ALA 540 2HB ALA 540 5.870 6.388 3.327 133 HB3 ALA 540 3HB ALA 540 4.603 6.786 2.151 134 H GLU 541 H GLU 541 7.518 9.556 2.180 135 HA GLU 541 HA GLU 541 9.326 9.411 4.188 136 HB2 GLU 541 1HB GLU 541 9.147 10.421 1.571 137 HB3 GLU 541 2HB GLU 541 9.323 11.881 2.531 138 HG2 GLU 541 1HG GLU 541 11.178 10.436 3.738 139 HG3 GLU 541 2HG GLU 541 11.251 9.623 2.175 140 H GLU 542 H GLU 542 7.165 12.223 3.440 141 HA GLU 542 HA GLU 542 8.170 13.848 5.510 142 HB2 GLU 542 1HB GLU 542 6.887 14.590 3.522 143 HB3 GLU 542 2HB GLU 542 5.402 13.913 4.204 144 HG2 GLU 542 1HG GLU 542 5.458 15.466 6.064 145 HG3 GLU 542 2HG GLU 542 7.116 15.953 5.685 146 H THR 543 H THR 543 5.280 11.809 5.406 147 HA THR 543 HA THR 543 4.464 12.478 8.099 148 HB THR 543 HB THR 543 2.698 10.832 7.751 149 HG1 THR 543 1HG THR 543 3.918 10.482 5.220 150 HG21 THR 543 3HG2 THR 543 3.024 12.654 5.327 151 HG22 THR 543 1HG2 THR 543 1.515 11.986 5.991 152 HG23 THR 543 2HG2 THR 543 2.448 13.166 6.919 153 H ARG 544 H ARG 544 6.761 10.196 6.909 154 HA ARG 544 HA ARG 544 7.932 8.528 7.743 155 HE ARG 544 HE ARG 544 11.173 11.837 9.263 156 HB2 ARG 544 1HB ARG 544 7.131 9.654 10.424 157 HB3 ARG 544 2HB ARG 544 7.940 8.108 10.298 158 HG2 ARG 544 1HG ARG 544 9.659 9.538 10.658 159 HG3 ARG 544 2HG ARG 544 9.779 9.195 8.956 160 HD2 ARG 544 1HD ARG 544 9.113 11.368 8.349 161 HD3 ARG 544 2HD ARG 544 8.294 11.650 9.874 162 HH11 ARG 544 2HH2 ARG 544 8.764 12.035 11.843 163 HH12 ARG 544 1HH2 ARG 544 9.918 12.367 13.104 164 HH21 ARG 544 2HH1 ARG 544 12.702 12.493 10.937 165 HH22 ARG 544 1HH1 ARG 544 12.106 12.958 12.490 166 H LYS 545 H LYS 545 4.837 8.441 7.260 167 HA LYS 545 HA LYS 545 3.937 6.194 8.891 168 HB2 LYS 545 1HB LYS 545 2.824 7.582 6.434 169 HB3 LYS 545 2HB LYS 545 1.993 6.245 7.225 170 HG2 LYS 545 1HG LYS 545 1.894 7.485 9.334 171 HG3 LYS 545 2HG LYS 545 2.762 8.832 8.650 172 HD2 LYS 545 1HD LYS 545 0.988 9.456 7.247 173 HD3 LYS 545 2HD LYS 545 0.130 7.913 7.443 174 HE2 LYS 545 1HE LYS 545 -0.635 8.472 9.600 175 HE3 LYS 545 2HE LYS 545 0.657 9.641 9.852 176 HZ1 LYS 545 3HZ LYS 545 -1.390 10.186 7.814 177 HZ2 LYS 545 1HZ LYS 545 -1.595 10.601 9.421 178 HZ3 LYS 545 2HZ LYS 545 -0.344 11.207 8.586 179 H LEU 546 H LEU 546 3.206 4.153 7.920 180 HA LEU 546 HA LEU 546 5.469 2.948 6.569 181 HG LEU 546 HG LEU 546 5.503 0.410 7.205 182 HB2 LEU 546 1HB LEU 546 4.180 2.075 8.534 183 HB3 LEU 546 2HB LEU 546 2.806 1.816 7.488 184 HD11 LEU 546 1HD1 LEU 546 4.357 -1.509 8.270 185 HD12 LEU 546 2HD1 LEU 546 4.442 -0.113 9.351 186 HD13 LEU 546 3HD1 LEU 546 2.914 -0.507 8.531 187 HD21 LEU 546 3HD2 LEU 546 3.008 0.329 5.600 188 HD22 LEU 546 1HD2 LEU 546 4.658 -0.206 5.193 189 HD23 LEU 546 2HD2 LEU 546 3.574 -1.259 6.103 190 H MET 547 H MET 547 5.361 1.872 4.489 191 HA MET 547 HA MET 547 2.949 2.419 2.807 192 HB2 MET 547 1HB MET 547 4.577 4.164 2.353 193 HB3 MET 547 2HB MET 547 5.842 2.969 2.013 194 HG2 MET 547 1HG MET 547 4.654 2.153 0.084 195 HG3 MET 547 2HG MET 547 3.224 3.107 0.477 196 HE1 MET 547 3HE MET 547 3.429 3.647 -2.182 197 HE2 MET 547 1HE MET 547 4.760 4.606 -2.869 198 HE3 MET 547 2HE MET 547 5.054 2.933 -2.339 199 HA PRO 548 HA PRO 548 4.149 -1.897 2.106 200 HB2 PRO 548 1HB PRO 548 1.710 -2.998 1.477 201 HB3 PRO 548 2HB PRO 548 2.218 -2.661 3.148 202 HG2 PRO 548 1HG PRO 548 0.550 -0.955 1.327 203 HG3 PRO 548 2HG PRO 548 0.200 -1.392 3.030 204 HD2 PRO 548 1HD PRO 548 1.337 1.011 2.367 205 HD3 PRO 548 2HD PRO 548 1.808 0.129 3.839 206 H ILE 549 H ILE 549 4.518 -3.140 0.252 207 HA ILE 549 HA ILE 549 3.692 -2.072 -2.392 208 HB ILE 549 HB ILE 549 6.594 -2.633 -1.534 209 HG12 ILE 549 1HG1 ILE 549 6.637 -0.107 -2.483 210 HG13 ILE 549 2HG1 ILE 549 4.979 -0.127 -1.895 211 HG21 ILE 549 1HG2 ILE 549 5.432 -1.908 -4.251 212 HG22 ILE 549 2HG2 ILE 549 7.168 -1.907 -3.834 213 HG23 ILE 549 3HG2 ILE 549 6.259 -3.413 -3.823 214 HD11 ILE 549 3HD1 ILE 549 6.139 -1.115 0.291 215 HD12 ILE 549 1HD1 ILE 549 7.612 -0.512 -0.473 216 HD13 ILE 549 2HD1 ILE 549 6.246 0.606 -0.136 217 H CYS 550 H CYS 550 2.865 -3.670 -3.554 218 HA CYS 550 HA CYS 550 3.372 -6.454 -2.924 219 HG CYS 550 HG CYS 550 1.892 -7.922 -3.341 220 HB2 CYS 550 1HB CYS 550 1.228 -5.362 -3.914 221 HB3 CYS 550 2HB CYS 550 2.077 -5.422 -5.476 222 H MET 551 H MET 551 5.352 -7.232 -3.321 223 HA MET 551 HA MET 551 7.410 -6.265 -4.900 224 HB2 MET 551 1HB MET 551 6.823 -9.149 -4.069 225 HB3 MET 551 2HB MET 551 8.403 -8.518 -4.568 226 HG2 MET 551 1HG MET 551 8.449 -7.009 -2.718 227 HG3 MET 551 2HG MET 551 6.833 -7.430 -2.210 228 HE1 MET 551 3HE MET 551 10.240 -7.735 -1.065 229 HE2 MET 551 1HE MET 551 10.657 -9.418 -0.807 230 HE3 MET 551 2HE MET 551 10.531 -8.797 -2.467 231 H ASP 552 H ASP 552 5.031 -8.611 -5.708 232 HA ASP 552 HA ASP 552 5.704 -9.758 -8.136 233 HB2 ASP 552 1HB ASP 552 3.692 -10.190 -6.792 234 HB3 ASP 552 2HB ASP 552 3.012 -8.627 -7.252 235 H VAL 553 H VAL 553 4.565 -6.448 -7.590 236 HA VAL 553 HA VAL 553 4.403 -5.857 -10.446 237 HB VAL 553 HB VAL 553 4.022 -3.920 -8.126 238 HG11 VAL 553 1HG1 VAL 553 4.269 -2.943 -10.421 239 HG12 VAL 553 2HG1 VAL 553 2.951 -3.975 -11.004 240 HG13 VAL 553 3HG1 VAL 553 2.638 -2.708 -9.795 241 HG21 VAL 553 3HG2 VAL 553 1.582 -4.408 -8.354 242 HG22 VAL 553 1HG2 VAL 553 2.008 -5.778 -9.447 243 HG23 VAL 553 2HG2 VAL 553 2.488 -5.788 -7.754 244 H ARG 554 H ARG 554 6.498 -6.530 -10.712 245 HA ARG 554 HA ARG 554 8.739 -5.251 -9.632 246 HE ARG 554 HE ARG 554 10.585 -9.632 -9.464 247 HB2 ARG 554 1HB ARG 554 8.422 -6.639 -12.313 248 HB3 ARG 554 2HB ARG 554 9.962 -5.987 -11.737 249 HG2 ARG 554 1HG ARG 554 9.647 -7.333 -9.605 250 HG3 ARG 554 2HG ARG 554 8.290 -8.153 -10.374 251 HD2 ARG 554 1HD ARG 554 9.652 -9.238 -11.947 252 HD3 ARG 554 2HD ARG 554 10.892 -7.967 -11.877 253 HH11 ARG 554 2HH2 ARG 554 12.356 -9.256 -12.515 254 HH12 ARG 554 1HH2 ARG 554 13.816 -9.963 -11.888 255 HH21 ARG 554 2HH1 ARG 554 12.421 -10.538 -8.693 256 HH22 ARG 554 1HH1 ARG 554 13.921 -10.630 -9.608 257 H ALA 555 H ALA 555 6.598 -3.951 -12.030 258 HA ALA 555 HA ALA 555 8.234 -1.831 -13.014 259 HB1 ALA 555 1HB ALA 555 6.083 -2.437 -14.013 260 HB2 ALA 555 2HB ALA 555 5.220 -1.956 -12.526 261 HB3 ALA 555 3HB ALA 555 6.080 -0.741 -13.493 262 H ILE 556 H ILE 556 6.462 -2.205 -9.926 263 HA ILE 556 HA ILE 556 7.001 0.568 -9.067 264 HB ILE 556 HB ILE 556 5.807 -1.880 -7.659 265 HG12 ILE 556 1HG1 ILE 556 4.511 0.746 -8.503 266 HG13 ILE 556 2HG1 ILE 556 4.395 -0.743 -9.431 267 HG21 ILE 556 1HG2 ILE 556 6.959 -0.597 -5.987 268 HG22 ILE 556 2HG2 ILE 556 6.324 0.938 -6.629 269 HG23 ILE 556 3HG2 ILE 556 5.249 -0.224 -5.824 270 HD11 ILE 556 3HD1 ILE 556 3.354 -1.829 -7.354 271 HD12 ILE 556 1HD1 ILE 556 3.196 -0.180 -6.704 272 HD13 ILE 556 2HD1 ILE 556 2.385 -0.620 -8.213 273 H MET 557 H MET 557 8.184 -2.798 -8.503 274 HA MET 557 HA MET 557 10.067 -2.196 -6.524 275 HB2 MET 557 1HB MET 557 10.398 -4.218 -8.773 276 HB3 MET 557 2HB MET 557 11.432 -4.114 -7.360 277 HG2 MET 557 1HG MET 557 8.545 -4.311 -6.683 278 HG3 MET 557 2HG MET 557 9.187 -5.675 -7.572 279 HE1 MET 557 3HE MET 557 11.077 -3.378 -4.859 280 HE2 MET 557 1HE MET 557 9.365 -3.538 -4.373 281 HE3 MET 557 2HE MET 557 10.641 -4.321 -3.418 282 H ALA 558 H ALA 558 10.628 -2.141 -10.097 283 HA ALA 558 HA ALA 558 13.295 -1.286 -10.001 284 HB1 ALA 558 1HB ALA 558 12.910 -0.443 -12.293 285 HB2 ALA 558 2HB ALA 558 12.185 -2.044 -12.069 286 HB3 ALA 558 3HB ALA 558 11.154 -0.594 -12.071 287 H THR 559 H THR 559 10.329 0.778 -10.099 288 HA THR 559 HA THR 559 11.541 3.309 -10.099 289 HB THR 559 HB THR 559 8.950 2.115 -9.053 290 HG1 THR 559 1HG THR 559 9.672 3.608 -11.333 291 HG21 THR 559 3HG2 THR 559 9.577 5.060 -9.132 292 HG22 THR 559 1HG2 THR 559 7.953 4.324 -8.953 293 HG23 THR 559 2HG2 THR 559 9.177 4.074 -7.708 294 H ILE 560 H ILE 560 10.622 1.290 -7.247 295 HA ILE 560 HA ILE 560 11.594 3.281 -5.356 296 HB ILE 560 HB ILE 560 10.714 0.376 -5.148 297 HG12 ILE 560 1HG1 ILE 560 9.464 3.070 -4.387 298 HG13 ILE 560 2HG1 ILE 560 9.012 2.084 -5.775 299 HG21 ILE 560 1HG2 ILE 560 12.339 0.865 -3.291 300 HG22 ILE 560 2HG2 ILE 560 11.360 2.277 -2.836 301 HG23 ILE 560 3HG2 ILE 560 10.704 0.640 -2.693 302 HD11 ILE 560 3HD1 ILE 560 8.319 0.264 -4.202 303 HD12 ILE 560 1HD1 ILE 560 8.545 1.422 -2.863 304 HD13 ILE 560 2HD1 ILE 560 7.358 1.761 -4.133 305 H GLN 561 H GLN 561 12.937 0.165 -6.607 306 HA GLN 561 HA GLN 561 15.307 0.134 -5.097 307 HB2 GLN 561 1HB GLN 561 14.634 -0.964 -7.863 308 HB3 GLN 561 2HB GLN 561 16.152 -1.292 -7.030 309 HG2 GLN 561 1HG GLN 561 15.026 -2.391 -5.212 310 HG3 GLN 561 2HG GLN 561 13.446 -2.071 -5.870 311 HE21 GLN 561 1HE2 GLN 561 16.059 -4.248 -5.807 312 HE22 GLN 561 2HE2 GLN 561 15.606 -5.253 -7.177 313 H ARG 562 H ARG 562 14.590 1.833 -8.134 314 HA ARG 562 HA ARG 562 17.265 2.647 -8.766 315 HE ARG 562 HE ARG 562 15.984 4.810 -12.354 316 HB2 ARG 562 1HB ARG 562 14.517 3.809 -9.346 317 HB3 ARG 562 2HB ARG 562 15.978 4.643 -9.862 318 HG2 ARG 562 1HG ARG 562 16.696 2.761 -11.208 319 HG3 ARG 562 2HG ARG 562 15.447 1.733 -10.560 320 HD2 ARG 562 1HD ARG 562 14.560 2.264 -12.599 321 HD3 ARG 562 2HD ARG 562 13.775 3.487 -11.597 322 HH11 ARG 562 2HH2 ARG 562 13.698 2.974 -14.360 323 HH12 ARG 562 1HH2 ARG 562 14.156 3.718 -15.842 324 HH21 ARG 562 2HH1 ARG 562 16.472 5.921 -14.264 325 HH22 ARG 562 1HH1 ARG 562 16.035 5.281 -15.816 326 H LYS 563 H LYS 563 14.743 4.343 -6.872 327 HA LYS 563 HA LYS 563 16.557 6.457 -6.069 328 HB2 LYS 563 1HB LYS 563 13.889 6.268 -6.194 329 HB3 LYS 563 2HB LYS 563 14.028 5.801 -4.526 330 HG2 LYS 563 1HG LYS 563 15.402 8.342 -5.484 331 HG3 LYS 563 2HG LYS 563 13.655 8.285 -5.392 332 HD2 LYS 563 1HD LYS 563 14.112 7.432 -2.903 333 HD3 LYS 563 2HD LYS 563 15.647 8.268 -3.152 334 HE2 LYS 563 1HE LYS 563 14.339 10.315 -3.855 335 HE3 LYS 563 2HE LYS 563 12.837 9.443 -3.515 336 HZ1 LYS 563 3HZ LYS 563 13.532 10.900 -1.690 337 HZ2 LYS 563 1HZ LYS 563 13.477 9.331 -1.194 338 HZ3 LYS 563 2HZ LYS 563 14.909 10.030 -1.496 339 H TYR 564 H TYR 564 15.134 3.731 -4.240 340 HA TYR 564 HA TYR 564 17.071 4.073 -2.053 341 HD1 TYR 564 1HD TYR 564 15.319 4.690 0.472 342 HD2 TYR 564 2HD TYR 564 13.030 3.976 -3.125 343 HE1 TYR 564 1HE TYR 564 13.891 6.610 1.001 344 HE2 TYR 564 2HE TYR 564 11.611 5.907 -2.608 345 HH TYR 564 HH TYR 564 12.076 7.883 0.353 346 HB2 TYR 564 1HB TYR 564 14.592 2.312 -2.302 347 HB3 TYR 564 2HB TYR 564 15.531 2.572 -0.852 348 H LYS 565 H LYS 565 18.942 3.220 -3.583 349 HA LYS 565 HA LYS 565 18.548 0.470 -4.421 350 HB2 LYS 565 1HB LYS 565 19.602 2.096 -5.934 351 HB3 LYS 565 2HB LYS 565 20.883 2.421 -4.749 352 HG2 LYS 565 1HG LYS 565 21.670 0.193 -4.849 353 HG3 LYS 565 2HG LYS 565 20.285 -0.368 -5.804 354 HD2 LYS 565 1HD LYS 565 21.979 -0.308 -7.350 355 HD3 LYS 565 2HD LYS 565 21.142 1.226 -7.642 356 HE2 LYS 565 1HE LYS 565 22.876 2.383 -6.273 357 HE3 LYS 565 2HE LYS 565 23.677 0.833 -5.974 358 HZ1 LYS 565 3HZ LYS 565 24.686 2.083 -7.813 359 HZ2 LYS 565 1HZ LYS 565 24.100 0.637 -8.327 360 HZ3 LYS 565 2HZ LYS 565 23.281 2.019 -8.658 361 H GLY 566 H GLY 566 20.415 2.153 -1.845 362 HA2 GLY 566 1HA GLY 566 22.170 0.005 -1.354 363 HA3 GLY 566 2HA GLY 566 21.750 1.259 -0.182 364 H ILE 567 H ILE 567 18.792 0.199 -0.651 365 HA ILE 567 HA ILE 567 18.861 -1.901 1.383 366 HB ILE 567 HB ILE 567 17.256 -0.332 1.716 367 HG12 ILE 567 1HG1 ILE 567 16.595 -2.853 1.746 368 HG13 ILE 567 2HG1 ILE 567 15.523 -1.508 2.096 369 HG21 ILE 567 1HG2 ILE 567 16.110 -0.531 -1.088 370 HG22 ILE 567 2HG2 ILE 567 15.346 0.251 0.303 371 HG23 ILE 567 3HG2 ILE 567 16.908 0.859 -0.356 372 HD11 ILE 567 3HD1 ILE 567 15.627 -2.684 -0.676 373 HD12 ILE 567 1HD1 ILE 567 14.552 -3.365 0.568 374 HD13 ILE 567 2HD1 ILE 567 14.349 -1.685 0.050 375 H LYS 568 H LYS 568 18.611 -3.965 0.967 376 HA LYS 568 HA LYS 568 18.426 -5.038 -1.807 377 HB2 LYS 568 1HB LYS 568 18.933 -6.362 0.897 378 HB3 LYS 568 2HB LYS 568 18.666 -7.236 -0.603 379 HG2 LYS 568 1HG LYS 568 20.789 -6.996 -1.219 380 HG3 LYS 568 2HG LYS 568 20.701 -5.246 -1.133 381 HD2 LYS 568 1HD LYS 568 21.290 -7.057 1.239 382 HD3 LYS 568 2HD LYS 568 22.506 -6.243 0.238 383 HE2 LYS 568 1HE LYS 568 21.397 -4.036 0.807 384 HE3 LYS 568 2HE LYS 568 20.378 -4.923 1.958 385 HZ1 LYS 568 3HZ LYS 568 23.330 -4.717 2.097 386 HZ2 LYS 568 1HZ LYS 568 22.232 -3.931 3.020 387 HZ3 LYS 568 2HZ LYS 568 22.372 -5.550 3.156 388 H ILE 569 H ILE 569 16.249 -5.626 -2.433 389 HA ILE 569 HA ILE 569 14.068 -5.114 -0.670 390 HB ILE 569 HB ILE 569 14.234 -6.914 -3.109 391 HG12 ILE 569 1HG1 ILE 569 14.791 -4.724 -3.882 392 HG13 ILE 569 2HG1 ILE 569 13.096 -4.982 -4.285 393 HG21 ILE 569 1HG2 ILE 569 11.785 -6.640 -3.251 394 HG22 ILE 569 2HG2 ILE 569 12.326 -7.478 -1.801 395 HG23 ILE 569 3HG2 ILE 569 11.799 -5.789 -1.684 396 HD11 ILE 569 3HD1 ILE 569 13.264 -2.753 -3.508 397 HD12 ILE 569 1HD1 ILE 569 12.486 -3.682 -2.211 398 HD13 ILE 569 2HD1 ILE 569 14.191 -3.241 -2.095 399 H GLN 570 H GLN 570 13.059 -6.393 0.783 400 HA GLN 570 HA GLN 570 13.646 -9.246 1.031 401 HB2 GLN 570 1HB GLN 570 13.545 -7.421 3.440 402 HB3 GLN 570 2HB GLN 570 13.726 -9.145 3.476 403 HG2 GLN 570 1HG GLN 570 15.933 -8.955 3.544 404 HG3 GLN 570 2HG GLN 570 15.949 -8.206 1.964 405 HE21 GLN 570 1HE2 GLN 570 14.807 -5.692 2.569 406 HE22 GLN 570 2HE2 GLN 570 15.890 -4.809 3.604 407 H GLU 571 H GLU 571 11.892 -10.389 2.049 408 HA GLU 571 HA GLU 571 9.289 -9.199 1.531 409 HB2 GLU 571 1HB GLU 571 10.582 -11.868 2.217 410 HB3 GLU 571 2HB GLU 571 8.930 -11.611 2.730 411 HG2 GLU 571 1HG GLU 571 8.184 -11.202 0.460 412 HG3 GLU 571 2HG GLU 571 9.862 -11.222 -0.114 413 H GLY 572 H GLY 572 8.225 -8.037 3.151 414 HA2 GLY 572 1HA GLY 572 7.369 -7.947 5.397 415 HA3 GLY 572 2HA GLY 572 8.903 -8.536 6.025 416 H ILE 573 H ILE 573 8.650 -6.585 7.430 417 HA ILE 573 HA ILE 573 8.618 -3.904 6.469 418 HB ILE 573 HB ILE 573 9.591 -5.144 9.053 419 HG12 ILE 573 1HG1 ILE 573 7.150 -5.252 8.527 420 HG13 ILE 573 2HG1 ILE 573 7.550 -4.469 10.046 421 HG21 ILE 573 1HG2 ILE 573 10.811 -3.087 8.985 422 HG22 ILE 573 2HG2 ILE 573 9.400 -2.166 8.414 423 HG23 ILE 573 3HG2 ILE 573 9.448 -2.831 10.068 424 HD11 ILE 573 3HD1 ILE 573 6.968 -2.875 7.511 425 HD12 ILE 573 1HD1 ILE 573 5.725 -3.371 8.668 426 HD13 ILE 573 2HD1 ILE 573 7.031 -2.287 9.184 427 H VAL 574 H VAL 574 10.029 -2.770 5.464 428 HA VAL 574 HA VAL 574 12.922 -3.184 5.999 429 HB VAL 574 HB VAL 574 11.773 -2.749 3.241 430 HG11 VAL 574 1HG1 VAL 574 14.571 -2.679 4.383 431 HG12 VAL 574 2HG1 VAL 574 14.247 -3.160 2.712 432 HG13 VAL 574 3HG1 VAL 574 13.763 -1.547 3.245 433 HG21 VAL 574 3HG2 VAL 574 12.853 -4.968 2.784 434 HG22 VAL 574 1HG2 VAL 574 13.208 -5.124 4.524 435 HG23 VAL 574 2HG2 VAL 574 11.549 -5.118 3.941 436 H ASP 575 H ASP 575 12.851 -1.648 7.474 437 HA ASP 575 HA ASP 575 11.953 1.116 6.883 438 HB2 ASP 575 1HB ASP 575 11.824 0.162 9.186 439 HB3 ASP 575 2HB ASP 575 13.581 -0.041 9.190 440 H TYR 576 H TYR 576 13.151 1.873 5.159 441 HA TYR 576 HA TYR 576 15.925 2.504 5.705 442 HD1 TYR 576 1HD TYR 576 18.613 1.509 4.635 443 HD2 TYR 576 2HD TYR 576 15.757 2.186 1.499 444 HE1 TYR 576 1HE TYR 576 20.406 2.499 3.231 445 HE2 TYR 576 2HE TYR 576 17.518 3.261 0.119 446 HH TYR 576 HH TYR 576 20.957 3.455 1.040 447 HB2 TYR 576 1HB TYR 576 16.358 0.403 4.622 448 HB3 TYR 576 2HB TYR 576 15.208 0.752 3.336 449 H GLY 577 H GLY 577 15.392 4.626 5.673 450 HA2 GLY 577 1HA GLY 577 15.067 6.702 4.642 451 HA3 GLY 577 2HA GLY 577 14.770 5.900 3.098 452 H VAL 578 H VAL 578 12.656 4.467 3.205 453 HA VAL 578 HA VAL 578 10.442 5.921 4.584 454 HB VAL 578 HB VAL 578 10.711 4.842 1.764 455 HG11 VAL 578 1HG1 VAL 578 8.060 5.473 3.106 456 HG12 VAL 578 2HG1 VAL 578 8.322 5.125 1.382 457 HG13 VAL 578 3HG1 VAL 578 8.604 3.863 2.591 458 HG21 VAL 578 3HG2 VAL 578 11.229 7.222 2.168 459 HG22 VAL 578 1HG2 VAL 578 9.779 7.040 1.159 460 HG23 VAL 578 2HG2 VAL 578 9.620 7.450 2.877 461 H ARG 579 H ARG 579 8.980 4.633 5.519 462 HA ARG 579 HA ARG 579 10.085 2.164 6.550 463 HE ARG 579 HE ARG 579 6.710 1.638 11.227 464 HB2 ARG 579 1HB ARG 579 9.118 4.019 7.869 465 HB3 ARG 579 2HB ARG 579 7.548 3.761 7.129 466 HG2 ARG 579 1HG ARG 579 7.477 1.484 8.202 467 HG3 ARG 579 2HG ARG 579 9.138 1.740 8.775 468 HD2 ARG 579 1HD ARG 579 8.286 3.780 10.052 469 HD3 ARG 579 2HD ARG 579 6.646 3.290 9.615 470 HH11 ARG 579 2HH2 ARG 579 10.047 3.027 10.992 471 HH12 ARG 579 1HH2 ARG 579 10.616 1.968 12.235 472 HH21 ARG 579 2HH1 ARG 579 7.585 0.284 12.724 473 HH22 ARG 579 1HH1 ARG 579 9.208 0.550 13.353 474 H PHE 580 H PHE 580 10.039 0.904 4.539 475 HA PHE 580 HA PHE 580 7.531 0.612 3.135 476 HD1 PHE 580 2HD PHE 580 7.810 1.369 0.899 477 HD2 PHE 580 1HD PHE 580 11.883 0.774 2.157 478 HE1 PHE 580 2HE PHE 580 8.492 3.212 -0.536 479 HE2 PHE 580 1HE PHE 580 12.595 2.619 0.666 480 HZ PHE 580 HZ PHE 580 10.913 3.832 -0.712 481 HB2 PHE 580 1HB PHE 580 10.198 -0.814 2.831 482 HB3 PHE 580 2HB PHE 580 8.842 -1.004 1.745 483 H PHE 581 H PHE 581 6.520 -1.463 2.668 484 HA PHE 581 HA PHE 581 7.164 -3.746 4.385 485 HD1 PHE 581 2HD PHE 581 6.424 -4.905 6.373 486 HD2 PHE 581 1HD PHE 581 2.788 -4.520 4.120 487 HE1 PHE 581 2HE PHE 581 5.655 -7.087 7.237 488 HE2 PHE 581 1HE PHE 581 1.984 -6.679 5.056 489 HZ PHE 581 HZ PHE 581 3.460 -8.002 6.549 490 HB2 PHE 581 1HB PHE 581 5.392 -2.616 5.613 491 HB3 PHE 581 2HB PHE 581 4.332 -2.679 4.211 492 H PHE 582 H PHE 582 8.055 -4.660 2.531 493 HA PHE 582 HA PHE 582 6.629 -4.919 0.031 494 HD1 PHE 582 2HD PHE 582 8.170 -4.094 -1.759 495 HD2 PHE 582 1HD PHE 582 10.919 -4.879 1.441 496 HE1 PHE 582 2HE PHE 582 9.445 -2.026 -2.341 497 HE2 PHE 582 1HE PHE 582 12.177 -2.805 0.882 498 HZ PHE 582 HZ PHE 582 11.410 -1.353 -0.978 499 HB2 PHE 582 1HB PHE 582 9.070 -6.310 1.150 500 HB3 PHE 582 2HB PHE 582 8.515 -6.446 -0.507 501 H TYR 583 H TYR 583 5.340 -6.646 -0.594 502 HA TYR 583 HA TYR 583 5.351 -9.089 1.081 503 HD1 TYR 583 1HD TYR 583 3.116 -5.411 0.796 504 HD2 TYR 583 2HD TYR 583 1.505 -9.197 -0.451 505 HE1 TYR 583 1HE TYR 583 1.327 -4.233 -0.446 506 HE2 TYR 583 2HE TYR 583 -0.209 -8.070 -1.787 507 HH TYR 583 HH TYR 583 -1.281 -5.979 -2.204 508 HB2 TYR 583 1HB TYR 583 3.010 -9.064 1.425 509 HB3 TYR 583 2HB TYR 583 3.632 -7.535 2.026 510 H THR 584 H THR 584 4.133 -10.843 0.230 511 HA THR 584 HA THR 584 4.634 -11.209 -2.608 512 HB THR 584 HB THR 584 4.051 -13.662 -1.533 513 HG1 THR 584 1HG THR 584 3.943 -13.435 0.599 514 HG21 THR 584 3HG2 THR 584 6.516 -13.860 -1.151 515 HG22 THR 584 1HG2 THR 584 6.136 -13.059 -2.692 516 HG23 THR 584 2HG2 THR 584 6.668 -12.099 -1.300 517 H SER 585 H SER 585 2.949 -11.478 -4.131 518 HA SER 585 HA SER 585 0.290 -10.777 -3.303 519 HG SER 585 HG SER 585 1.679 -11.606 -7.008 520 HB2 SER 585 1HB SER 585 -0.270 -11.141 -5.681 521 HB3 SER 585 2HB SER 585 1.183 -10.167 -5.501 522 H LYS 586 H LYS 586 1.936 -13.810 -3.369 523 HA LYS 586 HA LYS 586 -0.379 -15.524 -3.740 524 HB2 LYS 586 1HB LYS 586 2.401 -15.971 -2.590 525 HB3 LYS 586 2HB LYS 586 1.205 -17.259 -2.664 526 HG2 LYS 586 1HG LYS 586 1.709 -15.757 -5.225 527 HG3 LYS 586 2HG LYS 586 3.005 -16.765 -4.608 528 HD2 LYS 586 1HD LYS 586 1.721 -18.021 -6.203 529 HD3 LYS 586 2HD LYS 586 1.580 -18.739 -4.604 530 HE2 LYS 586 1HE LYS 586 -0.646 -17.670 -4.314 531 HE3 LYS 586 2HE LYS 586 -0.518 -16.978 -5.947 532 HZ1 LYS 586 3HZ LYS 586 -0.535 -19.154 -6.870 533 HZ2 LYS 586 1HZ LYS 586 -0.439 -19.879 -5.386 534 HZ3 LYS 586 2HZ LYS 586 -1.784 -19.073 -5.818 535 H GLU 587 H GLU 587 0.955 -13.760 -0.913 536 HA GLU 587 HA GLU 587 -0.370 -15.380 0.971 537 HB2 GLU 587 1HB GLU 587 0.848 -12.673 1.026 538 HB3 GLU 587 2HB GLU 587 -0.629 -12.743 1.967 539 HG2 GLU 587 1HG GLU 587 0.648 -13.471 3.621 540 HG3 GLU 587 2HG GLU 587 0.448 -15.032 2.887 541 HA PRO 588 HA PRO 588 -4.678 -14.265 0.225 542 HB2 PRO 588 1HB PRO 588 -5.037 -14.352 3.175 543 HB3 PRO 588 2HB PRO 588 -5.886 -15.290 1.908 544 HG2 PRO 588 1HG PRO 588 -4.020 -16.430 3.579 545 HG3 PRO 588 2HG PRO 588 -4.208 -16.929 1.868 546 HD2 PRO 588 1HD PRO 588 -2.194 -15.022 3.059 547 HD3 PRO 588 2HD PRO 588 -1.916 -16.329 1.906 548 H VAL 589 H VAL 589 -5.547 -12.236 0.022 549 HA VAL 589 HA VAL 589 -4.434 -9.865 1.022 550 HB VAL 589 HB VAL 589 -7.386 -10.539 0.525 551 HG11 VAL 589 1HG1 VAL 589 -7.678 -8.113 -0.031 552 HG12 VAL 589 2HG1 VAL 589 -7.310 -8.399 1.652 553 HG13 VAL 589 3HG1 VAL 589 -6.035 -7.797 0.574 554 HG21 VAL 589 3HG2 VAL 589 -6.006 -10.996 -1.454 555 HG22 VAL 589 1HG2 VAL 589 -7.079 -9.677 -1.734 556 HG23 VAL 589 2HG2 VAL 589 -5.367 -9.336 -1.391 557 H ALA 590 H ALA 590 -6.855 -11.977 2.579 558 HA ALA 590 HA ALA 590 -7.338 -10.620 4.955 559 HB1 ALA 590 1HB ALA 590 -7.050 -13.599 4.380 560 HB2 ALA 590 2HB ALA 590 -7.651 -12.940 5.905 561 HB3 ALA 590 3HB ALA 590 -8.533 -12.623 4.410 562 H SER 591 H SER 591 -4.665 -13.022 4.481 563 HA SER 591 HA SER 591 -3.690 -12.748 7.183 564 HG SER 591 HG SER 591 -1.629 -14.305 7.355 565 HB2 SER 591 1HB SER 591 -3.268 -14.749 5.807 566 HB3 SER 591 2HB SER 591 -2.368 -13.754 4.647 567 H ILE 592 H ILE 592 -2.632 -11.350 3.987 568 HA ILE 592 HA ILE 592 -0.480 -10.039 5.122 569 HB ILE 592 HB ILE 592 -1.582 -10.485 2.550 570 HG12 ILE 592 1HG1 ILE 592 0.709 -10.887 3.337 571 HG13 ILE 592 2HG1 ILE 592 0.695 -9.964 1.838 572 HG21 ILE 592 1HG2 ILE 592 -1.146 -8.436 1.320 573 HG22 ILE 592 2HG2 ILE 592 -2.592 -8.351 2.347 574 HG23 ILE 592 3HG2 ILE 592 -1.098 -7.517 2.841 575 HD11 ILE 592 3HD1 ILE 592 1.206 -7.911 3.002 576 HD12 ILE 592 1HD1 ILE 592 0.951 -8.648 4.584 577 HD13 ILE 592 2HD1 ILE 592 2.331 -9.151 3.611 578 H ILE 593 H ILE 593 -3.826 -8.915 4.743 579 HA ILE 593 HA ILE 593 -3.406 -6.296 5.716 580 HB ILE 593 HB ILE 593 -5.702 -8.270 5.586 581 HG12 ILE 593 1HG1 ILE 593 -5.365 -5.457 4.438 582 HG13 ILE 593 2HG1 ILE 593 -4.851 -6.924 3.602 583 HG21 ILE 593 1HG2 ILE 593 -5.925 -5.574 6.917 584 HG22 ILE 593 2HG2 ILE 593 -7.293 -6.615 6.465 585 HG23 ILE 593 3HG2 ILE 593 -6.181 -7.162 7.687 586 HD11 ILE 593 3HD1 ILE 593 -7.013 -6.335 2.765 587 HD12 ILE 593 1HD1 ILE 593 -7.199 -7.801 3.765 588 HD13 ILE 593 2HD1 ILE 593 -7.687 -6.231 4.404 589 H THR 594 H THR 594 -4.488 -9.172 7.574 590 HA THR 594 HA THR 594 -4.249 -8.354 10.108 591 HB THR 594 HB THR 594 -3.058 -11.012 9.258 592 HG1 THR 594 1HG THR 594 -5.035 -10.718 8.131 593 HG21 THR 594 3HG2 THR 594 -4.805 -10.101 11.616 594 HG22 THR 594 1HG2 THR 594 -4.280 -11.758 11.311 595 HG23 THR 594 2HG2 THR 594 -3.079 -10.520 11.707 596 H LYS 595 H LYS 595 -1.317 -9.125 8.109 597 HA LYS 595 HA LYS 595 0.532 -8.804 10.287 598 HB2 LYS 595 1HB LYS 595 0.720 -8.822 7.263 599 HB3 LYS 595 2HB LYS 595 2.113 -8.473 8.270 600 HG2 LYS 595 1HG LYS 595 2.326 -10.597 9.069 601 HG3 LYS 595 2HG LYS 595 0.587 -10.879 9.109 602 HD2 LYS 595 1HD LYS 595 0.490 -11.189 6.726 603 HD3 LYS 595 2HD LYS 595 2.251 -10.871 6.570 604 HE2 LYS 595 1HE LYS 595 2.647 -12.789 8.158 605 HE3 LYS 595 2HE LYS 595 0.915 -13.137 8.132 606 HZ1 LYS 595 3HZ LYS 595 1.162 -13.501 5.692 607 HZ2 LYS 595 1HZ LYS 595 2.803 -13.373 5.880 608 HZ3 LYS 595 2HZ LYS 595 1.989 -14.550 6.644 609 H LEU 596 H LEU 596 -1.111 -6.449 8.238 610 HA LEU 596 HA LEU 596 0.612 -4.226 9.144 611 HG LEU 596 HG LEU 596 0.122 -5.081 6.405 612 HB2 LEU 596 1HB LEU 596 -2.046 -4.290 7.666 613 HB3 LEU 596 2HB LEU 596 -1.149 -2.834 8.033 614 HD11 LEU 596 1HD1 LEU 596 -0.581 -3.826 4.371 615 HD12 LEU 596 2HD1 LEU 596 -1.913 -4.588 5.237 616 HD13 LEU 596 3HD1 LEU 596 -1.662 -2.841 5.384 617 HD21 LEU 596 3HD2 LEU 596 0.621 -2.082 6.591 618 HD22 LEU 596 1HD2 LEU 596 1.650 -3.363 7.261 619 HD23 LEU 596 2HD2 LEU 596 1.469 -3.194 5.509 620 H ASN 597 H ASN 597 -2.555 -5.698 9.855 621 HA ASN 597 HA ASN 597 -3.511 -3.778 11.690 622 HB2 ASN 597 1HB ASN 597 -4.012 -6.785 11.786 623 HB3 ASN 597 2HB ASN 597 -4.978 -5.550 12.586 624 HD21 ASN 597 1HD2 ASN 597 -6.276 -7.264 10.972 625 HD22 ASN 597 2HD2 ASN 597 -6.691 -6.523 9.460 626 H SER 598 H SER 598 -1.410 -6.621 12.257 627 HA SER 598 HA SER 598 -1.299 -6.553 15.072 628 HG SER 598 HG SER 598 1.064 -8.066 12.250 629 HB2 SER 598 1HB SER 598 0.764 -7.842 14.818 630 HB3 SER 598 2HB SER 598 -0.401 -8.345 13.594 631 H LEU 599 H LEU 599 0.610 -4.833 12.656 632 HA LEU 599 HA LEU 599 2.373 -3.492 14.485 633 HG LEU 599 HG LEU 599 2.676 -5.158 12.004 634 HB2 LEU 599 1HB LEU 599 1.563 -2.857 11.606 635 HB3 LEU 599 2HB LEU 599 2.925 -2.142 12.455 636 HD11 LEU 599 1HD1 LEU 599 4.303 -4.800 10.150 637 HD12 LEU 599 2HD1 LEU 599 2.773 -3.972 9.823 638 HD13 LEU 599 3HD1 LEU 599 4.177 -3.040 10.385 639 HD21 LEU 599 3HD2 LEU 599 5.189 -4.940 12.378 640 HD22 LEU 599 1HD2 LEU 599 4.915 -3.282 12.897 641 HD23 LEU 599 2HD2 LEU 599 4.191 -4.627 13.805 642 H ASN 600 H ASN 600 -0.712 -2.720 13.004 643 HA ASN 600 HA ASN 600 -2.319 -1.204 13.419 644 HB2 ASN 600 1HB ASN 600 -1.533 -1.908 15.882 645 HB3 ASN 600 2HB ASN 600 -1.040 -0.212 15.950 646 HD21 ASN 600 1HD2 ASN 600 -3.010 -1.333 17.680 647 HD22 ASN 600 2HD2 ASN 600 -4.569 -0.692 17.273 648 H GLU 601 H GLU 601 0.446 -0.500 12.217 649 HA GLU 601 HA GLU 601 0.820 2.255 12.866 650 HB2 GLU 601 1HB GLU 601 2.012 0.500 10.697 651 HB3 GLU 601 2HB GLU 601 2.506 2.172 10.952 652 HG2 GLU 601 1HG GLU 601 2.560 0.564 13.446 653 HG3 GLU 601 2HG GLU 601 3.567 -0.080 12.166 654 HA PRO 602 HA PRO 602 -1.866 3.798 9.656 655 HB2 PRO 602 1HB PRO 602 -0.816 6.358 9.277 656 HB3 PRO 602 2HB PRO 602 -1.899 5.901 10.614 657 HG2 PRO 602 1HG PRO 602 1.062 6.168 10.652 658 HG3 PRO 602 2HG PRO 602 -0.121 6.572 11.933 659 HD2 PRO 602 1HD PRO 602 1.482 4.312 11.843 660 HD3 PRO 602 2HD PRO 602 -0.074 4.383 12.707 661 H LEU 603 H LEU 603 -1.877 3.986 7.400 662 HA LEU 603 HA LEU 603 0.756 3.526 6.074 663 HG LEU 603 HG LEU 603 -1.685 1.436 7.335 664 HB2 LEU 603 1HB LEU 603 -1.689 2.252 4.939 665 HB3 LEU 603 2HB LEU 603 -0.040 1.765 4.759 666 HD11 LEU 603 1HD1 LEU 603 -2.643 0.174 5.472 667 HD12 LEU 603 2HD1 LEU 603 -1.055 -0.569 5.144 668 HD13 LEU 603 3HD1 LEU 603 -1.910 -0.893 6.673 669 HD21 LEU 603 3HD2 LEU 603 0.704 1.430 7.797 670 HD22 LEU 603 1HD2 LEU 603 0.057 -0.190 7.975 671 HD23 LEU 603 2HD2 LEU 603 0.988 0.233 6.514 672 H VAL 604 H VAL 604 0.667 3.716 3.641 673 HA VAL 604 HA VAL 604 -1.608 5.115 2.446 674 HB VAL 604 HB VAL 604 -0.223 6.998 2.928 675 HG11 VAL 604 1HG1 VAL 604 2.218 5.620 1.735 676 HG12 VAL 604 2HG1 VAL 604 2.131 7.280 2.330 677 HG13 VAL 604 3HG1 VAL 604 1.958 5.926 3.458 678 HG21 VAL 604 3HG2 VAL 604 0.458 7.820 0.707 679 HG22 VAL 604 1HG2 VAL 604 0.337 6.186 0.048 680 HG23 VAL 604 2HG2 VAL 604 -1.118 7.002 0.645 681 H THR 605 H THR 605 -2.103 3.796 0.635 682 HA THR 605 HA THR 605 -0.080 3.052 -1.189 683 HB THR 605 HB THR 605 0.296 1.288 0.610 684 HG1 THR 605 1HG THR 605 1.056 0.169 -0.894 685 HG21 THR 605 3HG2 THR 605 -2.549 0.620 0.038 686 HG22 THR 605 1HG2 THR 605 -1.411 -0.711 0.205 687 HG23 THR 605 2HG2 THR 605 -1.591 0.490 1.507 688 H MET 606 H MET 606 -1.379 1.111 -2.682 689 HA MET 606 HA MET 606 -4.111 2.197 -3.225 690 HB2 MET 606 1HB MET 606 -4.004 1.389 -5.458 691 HB3 MET 606 2HB MET 606 -2.479 2.223 -5.204 692 HG2 MET 606 1HG MET 606 -1.303 0.278 -4.882 693 HG3 MET 606 2HG MET 606 -2.740 -0.764 -4.836 694 HE1 MET 606 3HE MET 606 -0.027 0.711 -6.846 695 HE2 MET 606 1HE MET 606 -0.033 -1.059 -6.654 696 HE3 MET 606 2HE MET 606 -0.161 -0.348 -8.282 697 HA PRO 607 HA PRO 607 -5.907 -1.084 -1.373 698 HB2 PRO 607 1HB PRO 607 -7.491 -2.377 -3.484 699 HB3 PRO 607 2HB PRO 607 -8.033 -1.366 -2.133 700 HG2 PRO 607 1HG PRO 607 -8.039 -0.526 -4.793 701 HG3 PRO 607 2HG PRO 607 -7.919 0.573 -3.388 702 HD2 PRO 607 1HD PRO 607 -5.715 -0.456 -5.152 703 HD3 PRO 607 2HD PRO 607 -5.923 1.160 -4.445 704 H ILE 608 H ILE 608 -5.559 -3.069 -0.615 705 HA ILE 608 HA ILE 608 -3.175 -4.263 -1.580 706 HB ILE 608 HB ILE 608 -5.134 -4.855 0.698 707 HG12 ILE 608 1HG1 ILE 608 -4.022 -2.608 0.774 708 HG13 ILE 608 2HG1 ILE 608 -3.851 -3.620 2.179 709 HG21 ILE 608 1HG2 ILE 608 -3.880 -6.914 0.433 710 HG22 ILE 608 2HG2 ILE 608 -2.347 -6.029 0.362 711 HG23 ILE 608 3HG2 ILE 608 -3.285 -6.069 1.867 712 HD11 ILE 608 3HD1 ILE 608 -1.708 -3.199 0.039 713 HD12 ILE 608 1HD1 ILE 608 -1.763 -2.445 1.647 714 HD13 ILE 608 2HD1 ILE 608 -1.518 -4.188 1.504 715 H GLY 609 H GLY 609 -6.494 -5.438 -1.536 716 HA2 GLY 609 1HA GLY 609 -5.661 -7.742 -3.211 717 HA3 GLY 609 2HA GLY 609 -7.160 -7.637 -2.256 718 H TYR 610 H TYR 610 -5.412 -6.117 -4.847 719 HA TYR 610 HA TYR 610 -8.025 -5.549 -6.244 720 HD1 TYR 610 1HD TYR 610 -9.312 -4.400 -7.469 721 HD2 TYR 610 2HD TYR 610 -5.888 -1.678 -7.605 722 HE1 TYR 610 1HE TYR 610 -10.324 -3.189 -9.221 723 HE2 TYR 610 2HE TYR 610 -6.976 -0.469 -9.441 724 HH TYR 610 HH TYR 610 -8.787 -0.427 -10.922 725 HB2 TYR 610 1HB TYR 610 -7.143 -3.435 -5.306 726 HB3 TYR 610 2HB TYR 610 -5.694 -3.631 -6.281 727 H VAL 611 H VAL 611 -6.361 -4.631 -8.562 728 HA VAL 611 HA VAL 611 -5.776 -6.701 -10.135 729 HB VAL 611 HB VAL 611 -4.089 -4.225 -9.661 730 HG11 VAL 611 1HG1 VAL 611 -3.263 -4.365 -11.925 731 HG12 VAL 611 2HG1 VAL 611 -2.781 -5.805 -11.041 732 HG13 VAL 611 3HG1 VAL 611 -4.134 -5.896 -12.199 733 HG21 VAL 611 3HG2 VAL 611 -6.325 -4.710 -11.675 734 HG22 VAL 611 1HG2 VAL 611 -6.442 -3.691 -10.223 735 HG23 VAL 611 2HG2 VAL 611 -5.354 -3.242 -11.527 736 H THR 612 H THR 612 -3.607 -5.656 -7.448 737 HA THR 612 HA THR 612 -1.462 -7.444 -7.777 738 HB THR 612 HB THR 612 -1.258 -6.838 -5.261 739 HG1 THR 612 1HG THR 612 -2.678 -5.094 -4.683 740 HG21 THR 612 3HG2 THR 612 -1.566 -4.527 -7.249 741 HG22 THR 612 1HG2 THR 612 -0.675 -4.488 -5.714 742 HG23 THR 612 2HG2 THR 612 -0.126 -5.538 -7.036 743 H HIS 613 H HIS 613 -4.638 -8.244 -7.044 744 HA HIS 613 HA HIS 613 -3.931 -10.919 -6.085 745 HD1 HIS 613 1HD HIS 613 -3.432 -8.324 -3.590 746 HD2 HIS 613 2HD HIS 613 -4.778 -12.333 -3.168 747 HE1 HIS 613 1HE HIS 613 -2.022 -9.420 -1.747 748 HE2 HIS 613 2HE HIS 613 -2.794 -11.883 -1.585 749 HB2 HIS 613 1HB HIS 613 -5.932 -9.109 -4.830 750 HB3 HIS 613 2HB HIS 613 -6.151 -10.848 -4.807 751 H GLY 614 H GLY 614 -5.014 -9.266 -8.717 752 HA2 GLY 614 1HA GLY 614 -6.474 -9.677 -10.443 753 HA3 GLY 614 2HA GLY 614 -6.721 -11.300 -9.773 754 H PHE 615 H PHE 615 -7.454 -8.348 -7.868 755 HA PHE 615 HA PHE 615 -10.252 -9.375 -7.548 756 HD1 PHE 615 1HD PHE 615 -8.969 -10.890 -6.391 757 HD2 PHE 615 2HD PHE 615 -9.778 -7.893 -3.457 758 HE1 PHE 615 1HE PHE 615 -8.883 -12.626 -4.607 759 HE2 PHE 615 2HE PHE 615 -9.776 -9.602 -1.660 760 HZ PHE 615 HZ PHE 615 -9.279 -11.980 -2.221 761 HB2 PHE 615 1HB PHE 615 -8.392 -7.659 -5.950 762 HB3 PHE 615 2HB PHE 615 -10.118 -7.447 -5.770 763 H ASN 616 H ASN 616 -11.858 -7.989 -7.586 764 HA ASN 616 HA ASN 616 -11.697 -5.621 -9.396 765 HB2 ASN 616 1HB ASN 616 -14.267 -5.586 -9.093 766 HB3 ASN 616 2HB ASN 616 -13.651 -7.051 -9.831 767 HD21 ASN 616 1HD2 ASN 616 -16.096 -6.313 -7.735 768 HD22 ASN 616 2HD2 ASN 616 -15.973 -7.785 -6.844 769 H LEU 617 H LEU 617 -12.697 -3.656 -8.783 770 HA LEU 617 HA LEU 617 -11.369 -2.693 -6.504 771 HG LEU 617 HG LEU 617 -13.024 -0.081 -6.016 772 HB2 LEU 617 1HB LEU 617 -12.016 -1.406 -8.572 773 HB3 LEU 617 2HB LEU 617 -13.693 -1.409 -8.004 774 HD11 LEU 617 1HD1 LEU 617 -10.680 -0.770 -5.732 775 HD12 LEU 617 2HD1 LEU 617 -10.259 -0.132 -7.334 776 HD13 LEU 617 3HD1 LEU 617 -10.736 0.969 -6.017 777 HD21 LEU 617 3HD2 LEU 617 -12.582 2.011 -7.229 778 HD22 LEU 617 1HD2 LEU 617 -12.064 1.083 -8.650 779 HD23 LEU 617 2HD2 LEU 617 -13.756 1.024 -8.110 780 H GLU 618 H GLU 618 -14.693 -3.751 -6.900 781 HA GLU 618 HA GLU 618 -15.691 -2.775 -4.405 782 HB2 GLU 618 1HB GLU 618 -16.913 -3.366 -6.549 783 HB3 GLU 618 2HB GLU 618 -16.772 -5.063 -6.085 784 HG2 GLU 618 1HG GLU 618 -18.003 -4.591 -3.989 785 HG3 GLU 618 2HG GLU 618 -18.002 -2.865 -4.332 786 H GLU 619 H GLU 619 -14.782 -6.225 -5.420 787 HA GLU 619 HA GLU 619 -14.861 -7.268 -2.863 788 HB2 GLU 619 1HB GLU 619 -13.269 -7.719 -5.468 789 HB3 GLU 619 2HB GLU 619 -12.783 -8.660 -4.054 790 HG2 GLU 619 1HG GLU 619 -15.617 -8.585 -5.155 791 HG3 GLU 619 2HG GLU 619 -14.421 -9.772 -5.569 792 H ALA 620 H ALA 620 -12.191 -5.525 -4.527 793 HA ALA 620 HA ALA 620 -10.229 -5.849 -2.614 794 HB1 ALA 620 1HB ALA 620 -9.181 -3.849 -3.537 795 HB2 ALA 620 2HB ALA 620 -9.943 -4.686 -4.880 796 HB3 ALA 620 3HB ALA 620 -10.716 -3.233 -4.183 797 H ALA 621 H ALA 621 -12.675 -3.223 -2.716 798 HA ALA 621 HA ALA 621 -11.764 -2.011 -0.294 799 HB1 ALA 621 1HB ALA 621 -14.236 -1.142 -0.323 800 HB2 ALA 621 2HB ALA 621 -13.305 -0.775 -1.794 801 HB3 ALA 621 3HB ALA 621 -14.470 -2.105 -1.775 802 H ARG 622 H ARG 622 -14.350 -4.428 -0.939 803 HA ARG 622 HA ARG 622 -15.272 -4.714 1.703 804 HE ARG 622 HE ARG 622 -16.881 -8.006 -1.892 805 HB2 ARG 622 1HB ARG 622 -15.081 -6.751 -0.572 806 HB3 ARG 622 2HB ARG 622 -15.831 -7.108 0.983 807 HG2 ARG 622 1HG ARG 622 -17.325 -5.100 0.674 808 HG3 ARG 622 2HG ARG 622 -16.716 -4.940 -0.977 809 HD2 ARG 622 1HD ARG 622 -18.118 -7.407 0.147 810 HD3 ARG 622 2HD ARG 622 -18.860 -6.100 -0.767 811 HH11 ARG 622 2HH2 ARG 622 -20.021 -6.301 -2.252 812 HH12 ARG 622 1HH2 ARG 622 -19.920 -6.393 -4.003 813 HH21 ARG 622 2HH1 ARG 622 -17.199 -8.544 -3.976 814 HH22 ARG 622 1HH1 ARG 622 -18.535 -7.910 -4.951 815 H CYS 623 H CYS 623 -12.726 -6.648 0.078 816 HA CYS 623 HA CYS 623 -12.081 -8.173 2.362 817 HG CYS 623 HG CYS 623 -9.559 -8.928 2.474 818 HB2 CYS 623 1HB CYS 623 -11.449 -8.477 -0.195 819 HB3 CYS 623 2HB CYS 623 -10.055 -7.470 0.219 820 H MET 624 H MET 624 -10.884 -4.978 1.228 821 HA MET 624 HA MET 624 -8.780 -5.009 3.194 822 HB2 MET 624 1HB MET 624 -7.772 -3.470 2.028 823 HB3 MET 624 2HB MET 624 -8.931 -3.881 0.778 824 HG2 MET 624 1HG MET 624 -9.284 -1.889 0.572 825 HG3 MET 624 2HG MET 624 -10.314 -1.962 2.007 826 HE1 MET 624 3HE MET 624 -6.276 -1.639 1.199 827 HE2 MET 624 1HE MET 624 -7.355 -0.649 0.173 828 HE3 MET 624 2HE MET 624 -6.268 0.150 1.306 829 H ARG 625 H ARG 625 -12.129 -4.061 3.409 830 HA ARG 625 HA ARG 625 -11.889 -2.223 5.550 831 HE ARG 625 HE ARG 625 -14.779 -0.951 6.297 832 HB2 ARG 625 1HB ARG 625 -14.012 -4.360 5.039 833 HB3 ARG 625 2HB ARG 625 -14.090 -3.114 6.259 834 HG2 ARG 625 1HG ARG 625 -13.675 -1.500 4.132 835 HG3 ARG 625 2HG ARG 625 -14.404 -2.876 3.295 836 HD2 ARG 625 1HD ARG 625 -16.162 -1.327 3.844 837 HD3 ARG 625 2HD ARG 625 -16.349 -2.774 4.851 838 HH11 ARG 625 2HH2 ARG 625 -18.168 -1.182 5.153 839 HH12 ARG 625 1HH2 ARG 625 -18.756 -0.185 6.439 840 HH21 ARG 625 2HH1 ARG 625 -15.669 0.449 7.956 841 HH22 ARG 625 1HH1 ARG 625 -17.396 0.576 8.059 842 H SER 626 H SER 626 -11.354 -5.762 5.506 843 HA SER 626 HA SER 626 -11.439 -6.194 8.292 844 HG SER 626 HG SER 626 -12.397 -8.051 6.921 845 HB2 SER 626 1HB SER 626 -9.670 -7.555 6.219 846 HB3 SER 626 2HB SER 626 -10.241 -8.228 7.755 847 H LEU 627 H LEU 627 -9.287 -4.099 6.654 848 HA LEU 627 HA LEU 627 -7.008 -4.507 8.403 849 HG LEU 627 HG LEU 627 -5.842 -1.865 8.405 850 HB2 LEU 627 1HB LEU 627 -6.968 -3.411 6.054 851 HB3 LEU 627 2HB LEU 627 -7.898 -2.087 6.746 852 HD11 LEU 627 1HD1 LEU 627 -4.612 -3.911 7.611 853 HD12 LEU 627 2HD1 LEU 627 -4.505 -3.192 5.999 854 HD13 LEU 627 3HD1 LEU 627 -3.691 -2.432 7.386 855 HD21 LEU 627 3HD2 LEU 627 -5.625 -1.089 5.485 856 HD22 LEU 627 1HD2 LEU 627 -6.541 -0.188 6.713 857 HD23 LEU 627 2HD2 LEU 627 -4.781 -0.307 6.848 858 H LYS 628 H LYS 628 -6.574 -3.453 10.222 859 HA LYS 628 HA LYS 628 -8.736 -1.866 11.521 860 HB2 LYS 628 1HB LYS 628 -6.868 -3.836 12.829 861 HB3 LYS 628 2HB LYS 628 -8.142 -2.903 13.616 862 HG2 LYS 628 1HG LYS 628 -8.558 -5.009 11.453 863 HG3 LYS 628 2HG LYS 628 -8.799 -5.239 13.159 864 HD2 LYS 628 1HD LYS 628 -10.422 -3.022 11.944 865 HD3 LYS 628 2HD LYS 628 -10.774 -4.654 11.407 866 HE2 LYS 628 1HE LYS 628 -12.216 -4.154 13.236 867 HE3 LYS 628 2HE LYS 628 -11.072 -5.402 13.721 868 HZ1 LYS 628 3HZ LYS 628 -9.822 -3.679 14.921 869 HZ2 LYS 628 1HZ LYS 628 -10.947 -2.536 14.493 870 HZ3 LYS 628 2HZ LYS 628 -11.360 -3.777 15.446 871 H ALA 629 H ALA 629 -5.935 -1.312 10.079 872 HA ALA 629 HA ALA 629 -4.915 0.594 12.111 873 HB1 ALA 629 1HB ALA 629 -3.269 -1.111 11.278 874 HB2 ALA 629 2HB ALA 629 -3.497 -0.475 9.631 875 HB3 ALA 629 3HB ALA 629 -2.837 0.561 10.918 876 HA PRO 630 HA PRO 630 -6.754 3.566 9.377 877 HB2 PRO 630 1HB PRO 630 -5.640 5.894 10.285 878 HB3 PRO 630 2HB PRO 630 -6.704 4.879 11.298 879 HG2 PRO 630 1HG PRO 630 -3.685 5.005 11.246 880 HG3 PRO 630 2HG PRO 630 -4.754 5.015 12.663 881 HD2 PRO 630 1HD PRO 630 -3.492 2.765 11.699 882 HD3 PRO 630 2HD PRO 630 -5.062 2.722 12.547 883 H ALA 631 H ALA 631 -6.289 3.665 7.062 884 HA ALA 631 HA ALA 631 -3.561 4.534 6.322 885 HB1 ALA 631 1HB ALA 631 -3.825 2.675 4.600 886 HB2 ALA 631 2HB ALA 631 -3.559 2.195 6.308 887 HB3 ALA 631 3HB ALA 631 -5.162 2.093 5.618 888 H VAL 632 H VAL 632 -3.350 5.382 4.343 889 HA VAL 632 HA VAL 632 -5.708 6.550 2.966 890 HB VAL 632 HB VAL 632 -2.722 6.972 2.580 891 HG11 VAL 632 1HG1 VAL 632 -3.826 7.067 0.382 892 HG12 VAL 632 2HG1 VAL 632 -5.041 8.190 1.015 893 HG13 VAL 632 3HG1 VAL 632 -3.343 8.686 0.899 894 HG21 VAL 632 3HG2 VAL 632 -3.231 9.310 3.211 895 HG22 VAL 632 1HG2 VAL 632 -4.931 8.890 3.447 896 HG23 VAL 632 2HG2 VAL 632 -3.697 8.192 4.514 897 H VAL 633 H VAL 633 -6.428 5.706 1.039 898 HA VAL 633 HA VAL 633 -5.057 3.303 -0.071 899 HB VAL 633 HB VAL 633 -7.977 3.907 -0.524 900 HG11 VAL 633 1HG1 VAL 633 -7.908 1.408 -0.942 901 HG12 VAL 633 2HG1 VAL 633 -6.926 2.317 -2.047 902 HG13 VAL 633 3HG1 VAL 633 -6.155 1.455 -0.698 903 HG21 VAL 633 3HG2 VAL 633 -6.784 2.357 1.791 904 HG22 VAL 633 1HG2 VAL 633 -7.921 3.723 1.874 905 HG23 VAL 633 2HG2 VAL 633 -8.465 2.178 1.248 906 H SER 634 H SER 634 -5.310 3.371 -2.590 907 HA SER 634 HA SER 634 -5.881 6.061 -3.654 908 HG SER 634 HG SER 634 -3.106 6.226 -5.802 909 HB2 SER 634 1HB SER 634 -3.414 5.604 -3.460 910 HB3 SER 634 2HB SER 634 -3.600 4.334 -4.693 911 H VAL 635 H VAL 635 -5.974 5.807 -6.152 912 HA VAL 635 HA VAL 635 -6.955 3.277 -7.199 913 HB VAL 635 HB VAL 635 -8.906 4.586 -8.287 914 HG11 VAL 635 1HG1 VAL 635 -9.217 3.865 -5.340 915 HG12 VAL 635 2HG1 VAL 635 -10.495 3.932 -6.566 916 HG13 VAL 635 3HG1 VAL 635 -9.218 2.707 -6.683 917 HG21 VAL 635 3HG2 VAL 635 -9.905 6.383 -7.088 918 HG22 VAL 635 1HG2 VAL 635 -8.794 6.238 -5.728 919 HG23 VAL 635 2HG2 VAL 635 -8.214 6.833 -7.301 920 H SER 636 H SER 636 -7.513 3.883 -9.749 921 HA SER 636 HA SER 636 -5.010 5.086 -10.614 922 HG SER 636 HG SER 636 -4.892 2.654 -11.056 923 HB2 SER 636 1HB SER 636 -7.185 3.852 -12.312 924 HB3 SER 636 2HB SER 636 -5.487 4.147 -12.751 925 H SER 637 H SER 637 -8.186 6.399 -10.111 926 HA SER 637 HA SER 637 -7.427 8.840 -11.503 927 HG SER 637 HG SER 637 -9.702 6.541 -13.738 928 HB2 SER 637 1HB SER 637 -10.031 8.479 -12.423 929 HB3 SER 637 2HB SER 637 -8.551 8.367 -13.381 930 HA PRO 638 HA PRO 638 -9.679 10.498 -8.180 931 HB2 PRO 638 1HB PRO 638 -10.873 12.773 -9.281 932 HB3 PRO 638 2HB PRO 638 -9.197 12.613 -8.675 933 HG2 PRO 638 1HG PRO 638 -10.195 12.521 -11.491 934 HG3 PRO 638 2HG PRO 638 -8.651 13.185 -10.872 935 HD2 PRO 638 1HD PRO 638 -8.844 10.747 -12.115 936 HD3 PRO 638 2HD PRO 638 -7.632 11.091 -10.858 937 H ASP 639 H ASP 639 -11.670 10.126 -11.171 938 HA ASP 639 HA ASP 639 -14.134 10.268 -9.726 939 HB2 ASP 639 1HB ASP 639 -13.382 9.136 -12.436 940 HB3 ASP 639 2HB ASP 639 -15.026 8.995 -11.783 941 H ALA 640 H ALA 640 -11.801 7.706 -9.878 942 HA ALA 640 HA ALA 640 -13.729 5.592 -9.205 943 HB1 ALA 640 1HB ALA 640 -11.693 4.197 -9.011 944 HB2 ALA 640 2HB ALA 640 -11.780 5.045 -10.571 945 HB3 ALA 640 3HB ALA 640 -10.688 5.635 -9.307 946 H VAL 641 H VAL 641 -12.060 8.099 -7.498 947 HA VAL 641 HA VAL 641 -11.454 6.800 -5.039 948 HB VAL 641 HB VAL 641 -12.158 9.702 -5.670 949 HG11 VAL 641 1HG1 VAL 641 -12.302 9.408 -3.280 950 HG12 VAL 641 2HG1 VAL 641 -10.760 8.500 -3.256 951 HG13 VAL 641 3HG1 VAL 641 -10.789 10.240 -3.621 952 HG21 VAL 641 3HG2 VAL 641 -10.130 8.803 -6.894 953 HG22 VAL 641 1HG2 VAL 641 -9.757 10.121 -5.780 954 HG23 VAL 641 2HG2 VAL 641 -9.408 8.441 -5.325 955 H THR 642 H THR 642 -14.212 8.934 -5.936 956 HA THR 642 HA THR 642 -15.758 8.555 -3.668 957 HB THR 642 HB THR 642 -16.565 9.099 -6.546 958 HG1 THR 642 1HG THR 642 -15.680 10.924 -6.319 959 HG21 THR 642 3HG2 THR 642 -18.434 10.379 -5.526 960 HG22 THR 642 1HG2 THR 642 -18.530 8.681 -5.052 961 HG23 THR 642 2HG2 THR 642 -17.906 9.880 -3.900 962 H THR 643 H THR 643 -15.562 6.518 -6.602 963 HA THR 643 HA THR 643 -17.802 4.814 -6.039 964 HB THR 643 HB THR 643 -15.237 4.372 -7.621 965 HG1 THR 643 1HG THR 643 -16.888 6.093 -8.212 966 HG21 THR 643 3HG2 THR 643 -16.505 2.633 -8.843 967 HG22 THR 643 1HG2 THR 643 -16.289 2.207 -7.144 968 HG23 THR 643 2HG2 THR 643 -17.858 2.830 -7.699 969 H TYR 644 H TYR 644 -14.269 4.360 -5.398 970 HA TYR 644 HA TYR 644 -14.598 1.907 -3.994 971 HD1 TYR 644 1HD TYR 644 -12.000 3.919 -1.679 972 HD2 TYR 644 2HD TYR 644 -11.911 0.342 -4.039 973 HE1 TYR 644 1HE TYR 644 -10.751 2.808 0.124 974 HE2 TYR 644 2HE TYR 644 -10.551 -0.803 -2.254 975 HH TYR 644 HH TYR 644 -9.929 0.806 0.845 976 HB2 TYR 644 1HB TYR 644 -12.524 2.550 -5.026 977 HB3 TYR 644 2HB TYR 644 -12.421 4.010 -4.060 978 H ASN 645 H ASN 645 -14.436 5.306 -2.791 979 HA ASN 645 HA ASN 645 -14.448 4.724 -0.005 980 HB2 ASN 645 1HB ASN 645 -15.615 7.019 -1.614 981 HB3 ASN 645 2HB ASN 645 -15.668 6.976 0.154 982 HD21 ASN 645 1HD2 ASN 645 -14.277 8.833 -1.748 983 HD22 ASN 645 2HD2 ASN 645 -12.597 8.635 -1.375 984 H GLY 646 H GLY 646 -17.007 5.307 -2.274 985 HA2 GLY 646 1HA GLY 646 -19.406 4.928 -0.912 986 HA3 GLY 646 2HA GLY 646 -19.105 4.222 -2.506 987 H TYR 647 H TYR 647 -17.199 2.240 -1.935 988 HA TYR 647 HA TYR 647 -18.830 0.195 -0.682 989 HD1 TYR 647 1HD TYR 647 -19.483 -0.027 -2.803 990 HD2 TYR 647 2HD TYR 647 -15.286 -0.414 -3.789 991 HE1 TYR 647 1HE TYR 647 -20.029 0.174 -5.177 992 HE2 TYR 647 2HE TYR 647 -15.832 -0.249 -6.195 993 HH TYR 647 HH TYR 647 -19.182 0.580 -7.232 994 HB2 TYR 647 1HB TYR 647 -15.934 0.036 -1.543 995 HB3 TYR 647 2HB TYR 647 -17.043 -1.308 -1.308 996 H LEU 648 H LEU 648 -15.942 2.091 0.385 997 HA LEU 648 HA LEU 648 -15.546 0.652 2.805 998 HG LEU 648 HG LEU 648 -12.646 2.672 1.853 999 HB2 LEU 648 1HB LEU 648 -14.780 3.277 1.607 1000 HB3 LEU 648 2HB LEU 648 -14.716 3.191 3.335 1001 HD11 LEU 648 1HD1 LEU 648 -13.387 0.783 4.131 1002 HD12 LEU 648 2HD1 LEU 648 -11.749 0.936 3.458 1003 HD13 LEU 648 3HD1 LEU 648 -12.514 2.323 4.257 1004 HD21 LEU 648 3HD2 LEU 648 -13.867 -0.096 1.689 1005 HD22 LEU 648 1HD2 LEU 648 -13.619 1.047 0.340 1006 HD23 LEU 648 2HD2 LEU 648 -12.239 0.362 1.216 1007 H THR 649 H THR 649 -17.968 3.152 2.038 1008 HA THR 649 HA THR 649 -18.834 3.205 4.842 1009 HB THR 649 HB THR 649 -20.072 4.858 4.358 1010 HG1 THR 649 1HG THR 649 -21.863 3.746 3.946 1011 HG21 THR 649 3HG2 THR 649 -19.428 4.635 1.414 1012 HG22 THR 649 1HG2 THR 649 -20.106 6.038 2.267 1013 HG23 THR 649 2HG2 THR 649 -18.468 5.480 2.645 1014 H SER 650 H SER 650 -19.779 1.574 1.854 1015 HA SER 650 HA SER 650 -21.445 0.107 1.405 1016 HG SER 650 HG SER 650 -20.206 -0.708 4.513 1017 HB2 SER 650 1HB SER 650 -21.505 -2.005 2.845 1018 HB3 SER 650 2HB SER 650 -20.054 -1.655 1.907 1019 H SER 651 H SER 651 -22.800 1.929 1.867 1020 HA SER 651 HA SER 651 -24.517 3.069 2.692 1021 HG SER 651 HG SER 651 -26.723 1.795 1.458 1022 HB2 SER 651 1HB SER 651 -25.495 0.300 3.410 1023 HB3 SER 651 2HB SER 651 -26.484 1.769 3.531 Start of MODEL 2 1 H1 GLY -4 H GLY -4 -8.045 14.298 16.118 2 HA2 GLY -4 1HA GLY -4 -5.996 14.882 14.058 3 HA3 GLY -4 2HA GLY -4 -5.793 13.735 15.389 4 H SER -3 H SER -3 -5.243 12.391 13.469 5 HA SER -3 HA SER -3 -5.669 10.734 12.011 6 HG SER -3 HG SER -3 -5.128 9.259 15.050 7 HB2 SER -3 1HB SER -3 -7.294 10.099 14.495 8 HB3 SER -3 2HB SER -3 -6.628 8.914 13.357 9 H HIS -2 H HIS -2 -6.820 12.237 10.505 10 HA HIS -2 HA HIS -2 -9.342 10.871 9.730 11 HD1 HIS -2 1HD HIS -2 -10.599 15.140 9.800 12 HD2 HIS -2 2HD HIS -2 -11.419 11.152 8.616 13 HE1 HIS -2 1HE HIS -2 -13.183 14.848 9.809 14 HE2 HIS -2 2HE HIS -2 -13.636 12.379 9.139 15 HB2 HIS -2 1HB HIS -2 -8.472 13.685 9.372 16 HB3 HIS -2 2HB HIS -2 -8.886 12.902 7.861 17 H MET -1 H MET -1 -9.021 9.321 8.173 18 HA MET -1 HA MET -1 -7.199 9.745 6.007 19 HB2 MET -1 1HB MET -1 -5.831 7.822 6.192 20 HB3 MET -1 2HB MET -1 -5.578 8.787 7.632 21 HG2 MET -1 1HG MET -1 -7.268 6.284 7.357 22 HG3 MET -1 2HG MET -1 -5.658 6.366 8.053 23 HE1 MET -1 3HE MET -1 -6.203 8.279 11.390 24 HE2 MET -1 1HE MET -1 -5.065 7.899 10.086 25 HE3 MET -1 2HE MET -1 -6.167 9.261 9.913 26 H GLY 527 H GLY 527 -7.421 7.821 4.423 27 HA2 GLY 527 1HA GLY 527 -9.367 5.913 4.269 28 HA3 GLY 527 2HA GLY 527 -10.237 7.450 4.040 29 H THR 528 H THR 528 -10.480 6.368 1.758 30 HA THR 528 HA THR 528 -8.243 6.167 0.131 31 HB THR 528 HB THR 528 -10.927 6.793 -1.023 32 HG1 THR 528 1HG THR 528 -11.859 5.242 -0.086 33 HG21 THR 528 3HG2 THR 528 -10.356 5.117 -2.616 34 HG22 THR 528 1HG2 THR 528 -8.816 5.953 -2.336 35 HG23 THR 528 2HG2 THR 528 -9.139 4.390 -1.579 36 H VAL 529 H VAL 529 -7.322 7.530 -1.428 37 HA VAL 529 HA VAL 529 -8.369 10.235 -1.956 38 HB VAL 529 HB VAL 529 -6.149 11.195 -1.742 39 HG11 VAL 529 1HG1 VAL 529 -6.770 9.682 0.831 40 HG12 VAL 529 2HG1 VAL 529 -5.879 11.196 0.652 41 HG13 VAL 529 3HG1 VAL 529 -7.611 11.152 0.280 42 HG21 VAL 529 3HG2 VAL 529 -4.331 9.827 -0.559 43 HG22 VAL 529 1HG2 VAL 529 -5.241 8.398 -0.972 44 HG23 VAL 529 2HG2 VAL 529 -4.622 9.440 -2.261 45 H SER 530 H SER 530 -6.786 11.095 -3.951 46 HA SER 530 HA SER 530 -5.994 8.829 -5.664 47 HG SER 530 HG SER 530 -6.336 10.532 -8.099 48 HB2 SER 530 1HB SER 530 -8.257 9.315 -6.417 49 HB3 SER 530 2HB SER 530 -7.880 11.042 -6.564 50 H TRP 531 H TRP 531 -4.024 9.633 -4.601 51 HA TRP 531 HA TRP 531 -2.911 12.209 -5.562 52 HD1 TRP 531 HD TRP 531 -4.059 13.054 -3.765 53 HE1 TRP 531 1HE TRP 531 -4.610 13.753 -1.398 54 HE3 TRP 531 3HE TRP 531 -0.924 9.870 -1.272 55 HZ2 TRP 531 2HZ TRP 531 -3.919 12.888 1.297 56 HZ3 TRP 531 3HZ TRP 531 -0.942 9.797 1.207 57 HH2 TRP 531 HH TRP 531 -2.475 11.280 2.493 58 HB2 TRP 531 1HB TRP 531 -1.752 10.019 -3.830 59 HB3 TRP 531 2HB TRP 531 -1.019 11.564 -4.184 60 H ASN 532 H ASN 532 -0.487 11.880 -6.236 61 HA ASN 532 HA ASN 532 -0.356 9.883 -8.434 62 HB2 ASN 532 1HB ASN 532 1.496 11.315 -9.318 63 HB3 ASN 532 2HB ASN 532 -0.095 12.047 -9.397 64 HD21 ASN 532 1HD2 ASN 532 3.087 12.865 -8.635 65 HD22 ASN 532 2HD2 ASN 532 2.638 14.164 -7.543 66 H LEU 533 H LEU 533 1.773 8.873 -8.563 67 HA LEU 533 HA LEU 533 2.563 7.612 -6.261 68 HG LEU 533 HG LEU 533 3.721 5.511 -7.217 69 HB2 LEU 533 1HB LEU 533 3.089 7.208 -8.801 70 HB3 LEU 533 2HB LEU 533 4.543 8.152 -8.505 71 HD11 LEU 533 1HD1 LEU 533 6.026 6.272 -9.054 72 HD12 LEU 533 2HD1 LEU 533 5.697 4.656 -8.402 73 HD13 LEU 533 3HD1 LEU 533 4.558 5.399 -9.541 74 HD21 LEU 533 3HD2 LEU 533 6.130 7.263 -6.609 75 HD22 LEU 533 1HD2 LEU 533 4.939 6.574 -5.464 76 HD23 LEU 533 2HD2 LEU 533 6.089 5.523 -6.260 77 H ARG 534 H ARG 534 4.046 10.541 -7.670 78 HA ARG 534 HA ARG 534 6.208 10.591 -5.790 79 HE ARG 534 HE ARG 534 6.623 13.772 -10.089 80 HB2 ARG 534 1HB ARG 534 5.179 13.008 -7.320 81 HB3 ARG 534 2HB ARG 534 6.781 12.740 -6.618 82 HG2 ARG 534 1HG ARG 534 6.646 10.551 -8.150 83 HG3 ARG 534 2HG ARG 534 5.566 11.546 -9.105 84 HD2 ARG 534 1HD ARG 534 8.466 12.119 -8.385 85 HD3 ARG 534 2HD ARG 534 7.860 11.635 -9.957 86 HH11 ARG 534 2HH2 ARG 534 9.209 13.691 -7.648 87 HH12 ARG 534 1HH2 ARG 534 9.700 15.318 -7.906 88 HH21 ARG 534 2HH1 ARG 534 7.182 15.981 -10.342 89 HH22 ARG 534 1HH1 ARG 534 8.476 16.670 -9.409 90 H GLU 535 H GLU 535 2.978 12.131 -5.751 91 HA GLU 535 HA GLU 535 3.277 13.519 -3.304 92 HB2 GLU 535 1HB GLU 535 1.054 12.767 -5.038 93 HB3 GLU 535 2HB GLU 535 0.642 12.721 -3.344 94 HG2 GLU 535 1HG GLU 535 2.190 15.088 -4.444 95 HG3 GLU 535 2HG GLU 535 0.462 14.943 -4.668 96 H MET 536 H MET 536 1.942 10.222 -3.938 97 HA MET 536 HA MET 536 1.581 9.457 -1.283 98 HB2 MET 536 1HB MET 536 2.310 7.868 -3.759 99 HB3 MET 536 2HB MET 536 2.213 7.073 -2.192 100 HG2 MET 536 1HG MET 536 -0.093 7.910 -1.888 101 HG3 MET 536 2HG MET 536 0.007 8.737 -3.443 102 HE1 MET 536 3HE MET 536 -0.458 4.226 -2.707 103 HE2 MET 536 1HE MET 536 0.886 5.149 -1.997 104 HE3 MET 536 2HE MET 536 -0.795 5.523 -1.533 105 H LEU 537 H LEU 537 4.640 9.130 -3.114 106 HA LEU 537 HA LEU 537 6.083 7.899 -0.929 107 HG LEU 537 HG LEU 537 6.395 6.742 -3.419 108 HB2 LEU 537 1HB LEU 537 6.800 9.228 -3.524 109 HB3 LEU 537 2HB LEU 537 8.088 9.026 -2.326 110 HD11 LEU 537 1HD1 LEU 537 8.348 6.160 -4.757 111 HD12 LEU 537 2HD1 LEU 537 7.858 7.821 -5.133 112 HD13 LEU 537 3HD1 LEU 537 9.266 7.542 -4.084 113 HD21 LEU 537 3HD2 LEU 537 7.329 6.175 -1.209 114 HD22 LEU 537 1HD2 LEU 537 8.219 5.313 -2.468 115 HD23 LEU 537 2HD2 LEU 537 8.930 6.755 -1.708 116 H ALA 538 H ALA 538 5.817 11.316 -2.039 117 HA ALA 538 HA ALA 538 7.594 12.433 -0.081 118 HB1 ALA 538 1HB ALA 538 5.185 13.639 -1.552 119 HB2 ALA 538 2HB ALA 538 6.468 14.551 -0.767 120 HB3 ALA 538 3HB ALA 538 6.838 13.578 -2.190 121 H HIS 539 H HIS 539 4.140 11.620 -0.045 122 HA HIS 539 HA HIS 539 3.520 12.722 2.499 123 HD1 HIS 539 1HD HIS 539 0.731 13.753 1.854 124 HD2 HIS 539 2HD HIS 539 0.824 9.957 3.768 125 HE1 HIS 539 1HE HIS 539 -0.922 13.867 3.785 126 HE2 HIS 539 2HE HIS 539 -0.907 11.559 4.953 127 HB2 HIS 539 1HB HIS 539 2.023 11.623 0.586 128 HB3 HIS 539 2HB HIS 539 2.211 10.168 1.516 129 H ALA 540 H ALA 540 4.400 9.352 1.569 130 HA ALA 540 HA ALA 540 4.535 8.310 4.197 131 HB1 ALA 540 1HB ALA 540 6.246 7.470 1.816 132 HB2 ALA 540 2HB ALA 540 5.896 6.509 3.270 133 HB3 ALA 540 3HB ALA 540 4.587 6.922 2.143 134 H GLU 541 H GLU 541 7.130 9.950 2.324 135 HA GLU 541 HA GLU 541 9.237 9.860 4.169 136 HB2 GLU 541 1HB GLU 541 8.289 11.724 1.966 137 HB3 GLU 541 2HB GLU 541 9.672 12.161 2.927 138 HG2 GLU 541 1HG GLU 541 10.714 9.936 2.310 139 HG3 GLU 541 2HG GLU 541 9.365 9.688 1.194 140 H GLU 542 H GLU 542 6.899 12.557 3.665 141 HA GLU 542 HA GLU 542 7.859 14.087 5.784 142 HB2 GLU 542 1HB GLU 542 6.364 14.638 3.764 143 HB3 GLU 542 2HB GLU 542 4.991 14.183 4.745 144 HG2 GLU 542 1HG GLU 542 5.064 16.145 5.903 145 HG3 GLU 542 2HG GLU 542 6.806 16.055 6.160 146 H THR 543 H THR 543 5.072 11.922 5.654 147 HA THR 543 HA THR 543 4.240 12.487 8.381 148 HB THR 543 HB THR 543 2.498 10.851 7.954 149 HG1 THR 543 1HG THR 543 3.787 10.442 5.465 150 HG21 THR 543 3HG2 THR 543 1.289 12.053 6.396 151 HG22 THR 543 1HG2 THR 543 2.536 13.244 6.833 152 HG23 THR 543 2HG2 THR 543 2.663 12.353 5.325 153 H ARG 544 H ARG 544 6.514 10.302 6.976 154 HA ARG 544 HA ARG 544 7.640 8.495 7.612 155 HE ARG 544 HE ARG 544 11.837 10.712 8.963 156 HB2 ARG 544 1HB ARG 544 7.178 9.540 10.432 157 HB3 ARG 544 2HB ARG 544 8.327 8.283 10.002 158 HG2 ARG 544 1HG ARG 544 8.421 11.127 8.914 159 HG3 ARG 544 2HG ARG 544 9.284 10.586 10.341 160 HD2 ARG 544 1HD ARG 544 9.868 8.749 8.153 161 HD3 ARG 544 2HD ARG 544 10.108 10.398 7.606 162 HH11 ARG 544 2HH2 ARG 544 10.396 7.605 9.915 163 HH12 ARG 544 1HH2 ARG 544 11.299 7.468 11.392 164 HH21 ARG 544 2HH1 ARG 544 13.401 10.245 10.540 165 HH22 ARG 544 1HH1 ARG 544 13.308 8.844 11.538 166 H LYS 545 H LYS 545 5.441 7.608 6.710 167 HA LYS 545 HA LYS 545 4.287 5.766 8.740 168 HB2 LYS 545 1HB LYS 545 3.122 7.103 6.256 169 HB3 LYS 545 2HB LYS 545 2.314 5.805 7.154 170 HG2 LYS 545 1HG LYS 545 2.414 7.155 9.225 171 HG3 LYS 545 2HG LYS 545 3.186 8.487 8.358 172 HD2 LYS 545 1HD LYS 545 1.220 8.750 6.919 173 HD3 LYS 545 2HD LYS 545 0.538 7.288 7.638 174 HE2 LYS 545 1HE LYS 545 0.586 8.422 9.897 175 HE3 LYS 545 2HE LYS 545 1.255 9.863 9.140 176 HZ1 LYS 545 3HZ LYS 545 -1.446 8.760 8.713 177 HZ2 LYS 545 1HZ LYS 545 -1.035 10.143 9.489 178 HZ3 LYS 545 2HZ LYS 545 -0.839 10.028 7.858 179 H LEU 546 H LEU 546 3.508 3.745 7.866 180 HA LEU 546 HA LEU 546 5.707 2.489 6.446 181 HG LEU 546 HG LEU 546 4.202 -0.345 6.295 182 HB2 LEU 546 1HB LEU 546 4.726 1.637 8.553 183 HB3 LEU 546 2HB LEU 546 3.179 1.412 7.767 184 HD11 LEU 546 1HD1 LEU 546 6.559 0.440 6.276 185 HD12 LEU 546 2HD1 LEU 546 6.673 0.109 8.023 186 HD13 LEU 546 3HD1 LEU 546 6.468 -1.210 6.861 187 HD21 LEU 546 3HD2 LEU 546 4.619 -2.002 8.172 188 HD22 LEU 546 1HD2 LEU 546 4.613 -0.657 9.307 189 HD23 LEU 546 2HD2 LEU 546 3.141 -1.031 8.401 190 H MET 547 H MET 547 5.714 1.867 4.351 191 HA MET 547 HA MET 547 3.159 2.035 2.792 192 HB2 MET 547 1HB MET 547 4.731 3.825 2.324 193 HB3 MET 547 2HB MET 547 6.003 2.655 1.941 194 HG2 MET 547 1HG MET 547 4.612 1.762 0.097 195 HG3 MET 547 2HG MET 547 3.337 2.902 0.477 196 HE1 MET 547 3HE MET 547 3.028 5.007 -0.878 197 HE2 MET 547 1HE MET 547 3.879 5.589 0.564 198 HE3 MET 547 2HE MET 547 4.356 6.179 -1.045 199 HA PRO 548 HA PRO 548 4.413 -2.289 2.135 200 HB2 PRO 548 1HB PRO 548 1.889 -3.337 1.577 201 HB3 PRO 548 2HB PRO 548 2.593 -3.184 3.204 202 HG2 PRO 548 1HG PRO 548 0.746 -1.270 1.782 203 HG3 PRO 548 2HG PRO 548 0.611 -1.884 3.464 204 HD2 PRO 548 1HD PRO 548 1.649 0.558 2.911 205 HD3 PRO 548 2HD PRO 548 2.393 -0.468 4.167 206 H ILE 549 H ILE 549 4.756 -3.481 0.166 207 HA ILE 549 HA ILE 549 3.541 -2.480 -2.352 208 HB ILE 549 HB ILE 549 6.565 -2.841 -1.929 209 HG12 ILE 549 1HG1 ILE 549 6.289 -0.276 -2.825 210 HG13 ILE 549 2HG1 ILE 549 4.746 -0.439 -2.020 211 HG21 ILE 549 1HG2 ILE 549 6.803 -2.064 -4.243 212 HG22 ILE 549 2HG2 ILE 549 5.933 -3.574 -4.188 213 HG23 ILE 549 3HG2 ILE 549 5.043 -2.052 -4.448 214 HD11 ILE 549 3HD1 ILE 549 6.134 0.345 -0.417 215 HD12 ILE 549 1HD1 ILE 549 6.316 -1.378 -0.044 216 HD13 ILE 549 2HD1 ILE 549 7.571 -0.561 -0.984 217 H CYS 550 H CYS 550 3.233 -4.067 -3.874 218 HA CYS 550 HA CYS 550 3.582 -6.853 -3.062 219 HG CYS 550 HG CYS 550 2.619 -8.543 -3.981 220 HB2 CYS 550 1HB CYS 550 1.584 -5.836 -4.320 221 HB3 CYS 550 2HB CYS 550 2.618 -5.790 -5.752 222 H MET 551 H MET 551 5.751 -7.417 -3.085 223 HA MET 551 HA MET 551 7.669 -6.459 -4.961 224 HB2 MET 551 1HB MET 551 9.256 -7.925 -3.931 225 HB3 MET 551 2HB MET 551 8.232 -7.100 -2.747 226 HG2 MET 551 1HG MET 551 7.591 -9.077 -1.883 227 HG3 MET 551 2HG MET 551 6.872 -9.401 -3.457 228 HE1 MET 551 3HE MET 551 9.960 -9.563 -1.270 229 HE2 MET 551 1HE MET 551 10.811 -11.043 -1.765 230 HE3 MET 551 2HE MET 551 11.000 -9.563 -2.719 231 H ASP 552 H ASP 552 5.346 -8.748 -5.344 232 HA ASP 552 HA ASP 552 6.463 -10.536 -7.280 233 HB2 ASP 552 1HB ASP 552 3.843 -9.793 -6.134 234 HB3 ASP 552 2HB ASP 552 3.719 -10.179 -7.824 235 H VAL 553 H VAL 553 5.101 -7.228 -7.414 236 HA VAL 553 HA VAL 553 4.881 -7.315 -10.337 237 HB VAL 553 HB VAL 553 3.987 -5.205 -8.327 238 HG11 VAL 553 1HG1 VAL 553 2.556 -4.415 -10.185 239 HG12 VAL 553 2HG1 VAL 553 4.264 -4.270 -10.607 240 HG13 VAL 553 3HG1 VAL 553 3.297 -5.603 -11.282 241 HG21 VAL 553 3HG2 VAL 553 2.492 -7.481 -9.705 242 HG22 VAL 553 1HG2 VAL 553 2.741 -7.284 -7.960 243 HG23 VAL 553 2HG2 VAL 553 1.709 -6.150 -8.839 244 H ARG 554 H ARG 554 7.006 -7.480 -10.755 245 HA ARG 554 HA ARG 554 9.088 -5.975 -9.715 246 HE ARG 554 HE ARG 554 10.680 -9.301 -7.944 247 HB2 ARG 554 1HB ARG 554 8.867 -7.278 -12.450 248 HB3 ARG 554 2HB ARG 554 10.379 -6.653 -11.801 249 HG2 ARG 554 1HG ARG 554 8.733 -8.690 -10.237 250 HG3 ARG 554 2HG ARG 554 9.842 -9.178 -11.504 251 HD2 ARG 554 1HD ARG 554 11.744 -8.189 -10.348 252 HD3 ARG 554 2HD ARG 554 10.681 -7.423 -9.163 253 HH11 ARG 554 2HH2 ARG 554 11.676 -10.270 -11.219 254 HH12 ARG 554 1HH2 ARG 554 12.050 -11.894 -10.766 255 HH21 ARG 554 2HH1 ARG 554 11.066 -11.461 -7.363 256 HH22 ARG 554 1HH1 ARG 554 11.856 -12.518 -8.497 257 H ALA 555 H ALA 555 6.856 -4.905 -12.181 258 HA ALA 555 HA ALA 555 8.351 -2.787 -13.323 259 HB1 ALA 555 1HB ALA 555 6.166 -1.858 -13.907 260 HB2 ALA 555 2HB ALA 555 6.188 -3.608 -14.183 261 HB3 ALA 555 3HB ALA 555 5.352 -2.940 -12.761 262 H ILE 556 H ILE 556 6.216 -2.762 -10.424 263 HA ILE 556 HA ILE 556 6.650 0.013 -9.739 264 HB ILE 556 HB ILE 556 5.747 -2.412 -8.099 265 HG12 ILE 556 1HG1 ILE 556 4.089 -0.140 -9.303 266 HG13 ILE 556 2HG1 ILE 556 4.275 -1.723 -10.048 267 HG21 ILE 556 1HG2 ILE 556 6.627 -0.699 -6.583 268 HG22 ILE 556 2HG2 ILE 556 5.675 0.557 -7.399 269 HG23 ILE 556 3HG2 ILE 556 4.876 -0.720 -6.462 270 HD11 ILE 556 3HD1 ILE 556 2.898 -1.151 -7.407 271 HD12 ILE 556 1HD1 ILE 556 2.184 -1.720 -8.920 272 HD13 ILE 556 2HD1 ILE 556 3.272 -2.785 -8.009 273 H MET 557 H MET 557 8.052 -3.071 -8.661 274 HA MET 557 HA MET 557 9.865 -2.149 -6.754 275 HB2 MET 557 1HB MET 557 10.176 -4.459 -8.715 276 HB3 MET 557 2HB MET 557 11.146 -4.218 -7.286 277 HG2 MET 557 1HG MET 557 8.126 -4.650 -7.326 278 HG3 MET 557 2HG MET 557 9.335 -5.842 -6.875 279 HE1 MET 557 3HE MET 557 11.018 -5.524 -5.117 280 HE2 MET 557 1HE MET 557 11.365 -3.783 -4.966 281 HE3 MET 557 2HE MET 557 10.743 -4.703 -3.576 282 H ALA 558 H ALA 558 10.402 -2.390 -10.314 283 HA ALA 558 HA ALA 558 13.121 -1.685 -10.316 284 HB1 ALA 558 1HB ALA 558 12.693 -1.039 -12.675 285 HB2 ALA 558 2HB ALA 558 11.957 -2.602 -12.265 286 HB3 ALA 558 3HB ALA 558 10.951 -1.137 -12.384 287 H THR 559 H THR 559 10.330 0.402 -9.769 288 HA THR 559 HA THR 559 11.860 2.854 -10.261 289 HB THR 559 HB THR 559 9.117 2.090 -10.286 290 HG1 THR 559 1HG THR 559 9.372 3.463 -11.732 291 HG21 THR 559 3HG2 THR 559 8.068 4.005 -9.107 292 HG22 THR 559 1HG2 THR 559 8.736 2.783 -8.020 293 HG23 THR 559 2HG2 THR 559 9.596 4.326 -8.287 294 H ILE 560 H ILE 560 10.625 0.982 -7.442 295 HA ILE 560 HA ILE 560 11.565 2.850 -5.451 296 HB ILE 560 HB ILE 560 11.199 -0.180 -5.221 297 HG12 ILE 560 1HG1 ILE 560 9.239 2.036 -4.471 298 HG13 ILE 560 2HG1 ILE 560 9.145 1.138 -5.985 299 HG21 ILE 560 1HG2 ILE 560 12.555 0.821 -3.355 300 HG22 ILE 560 2HG2 ILE 560 11.249 1.980 -3.036 301 HG23 ILE 560 3HG2 ILE 560 10.995 0.249 -2.787 302 HD11 ILE 560 3HD1 ILE 560 8.952 -0.991 -4.704 303 HD12 ILE 560 1HD1 ILE 560 8.787 -0.019 -3.217 304 HD13 ILE 560 2HD1 ILE 560 7.608 0.153 -4.533 305 H GLN 561 H GLN 561 12.988 -0.174 -6.819 306 HA GLN 561 HA GLN 561 15.470 -0.028 -5.470 307 HB2 GLN 561 1HB GLN 561 14.596 -1.378 -8.070 308 HB3 GLN 561 2HB GLN 561 16.170 -1.627 -7.298 309 HG2 GLN 561 1HG GLN 561 15.123 -2.380 -5.255 310 HG3 GLN 561 2HG GLN 561 13.508 -2.120 -5.895 311 HE21 GLN 561 1HE2 GLN 561 16.471 -3.839 -7.185 312 HE22 GLN 561 2HE2 GLN 561 15.576 -5.317 -7.528 313 H ARG 562 H ARG 562 14.362 1.741 -8.287 314 HA ARG 562 HA ARG 562 16.951 2.625 -9.191 315 HE ARG 562 HE ARG 562 14.293 7.269 -11.758 316 HB2 ARG 562 1HB ARG 562 15.401 2.904 -10.830 317 HB3 ARG 562 2HB ARG 562 14.059 3.091 -9.718 318 HG2 ARG 562 1HG ARG 562 14.649 5.386 -9.267 319 HG3 ARG 562 2HG ARG 562 16.034 5.240 -10.378 320 HD2 ARG 562 1HD ARG 562 13.890 4.362 -11.912 321 HD3 ARG 562 2HD ARG 562 13.089 5.518 -10.862 322 HH11 ARG 562 2HH2 ARG 562 15.130 4.230 -13.332 323 HH12 ARG 562 1HH2 ARG 562 16.280 4.875 -14.434 324 HH21 ARG 562 2HH1 ARG 562 15.857 8.240 -13.264 325 HH22 ARG 562 1HH1 ARG 562 16.809 7.256 -14.275 326 H LYS 563 H LYS 563 14.358 4.237 -7.218 327 HA LYS 563 HA LYS 563 16.146 6.423 -6.667 328 HB2 LYS 563 1HB LYS 563 13.555 6.377 -6.786 329 HB3 LYS 563 2HB LYS 563 13.571 5.747 -5.152 330 HG2 LYS 563 1HG LYS 563 14.809 8.395 -6.015 331 HG3 LYS 563 2HG LYS 563 13.161 8.214 -5.414 332 HD2 LYS 563 1HD LYS 563 14.509 7.084 -3.347 333 HD3 LYS 563 2HD LYS 563 15.741 8.217 -3.893 334 HE2 LYS 563 1HE LYS 563 12.856 8.994 -3.261 335 HE3 LYS 563 2HE LYS 563 14.154 9.033 -2.079 336 HZ1 LYS 563 3HZ LYS 563 15.282 10.693 -3.346 337 HZ2 LYS 563 1HZ LYS 563 14.208 10.647 -4.568 338 HZ3 LYS 563 2HZ LYS 563 13.716 11.158 -3.081 339 H TYR 564 H TYR 564 15.283 3.550 -4.948 340 HA TYR 564 HA TYR 564 17.144 4.130 -2.707 341 HD1 TYR 564 1HD TYR 564 15.566 5.114 -0.338 342 HD2 TYR 564 2HD TYR 564 12.877 3.812 -3.443 343 HE1 TYR 564 1HE TYR 564 14.046 7.020 0.168 344 HE2 TYR 564 2HE TYR 564 11.341 5.678 -2.924 345 HH TYR 564 HH TYR 564 12.224 8.253 -0.551 346 HB2 TYR 564 1HB TYR 564 14.625 2.402 -2.706 347 HB3 TYR 564 2HB TYR 564 15.621 2.787 -1.331 348 H LYS 565 H LYS 565 18.757 3.106 -4.506 349 HA LYS 565 HA LYS 565 18.393 0.253 -4.744 350 HB2 LYS 565 1HB LYS 565 19.440 1.902 -6.461 351 HB3 LYS 565 2HB LYS 565 20.881 1.930 -5.439 352 HG2 LYS 565 1HG LYS 565 21.325 -0.371 -5.810 353 HG3 LYS 565 2HG LYS 565 19.651 -0.671 -6.279 354 HD2 LYS 565 1HD LYS 565 21.473 1.003 -8.033 355 HD3 LYS 565 2HD LYS 565 21.428 -0.770 -8.118 356 HE2 LYS 565 1HE LYS 565 18.903 -0.611 -8.321 357 HE3 LYS 565 2HE LYS 565 19.076 1.127 -8.537 358 HZ1 LYS 565 3HZ LYS 565 18.930 -0.273 -10.580 359 HZ2 LYS 565 1HZ LYS 565 20.255 0.753 -10.544 360 HZ3 LYS 565 2HZ LYS 565 20.422 -0.858 -10.280 361 H GLY 566 H GLY 566 20.093 2.272 -2.405 362 HA2 GLY 566 1HA GLY 566 22.025 0.374 -1.564 363 HA3 GLY 566 2HA GLY 566 21.394 1.716 -0.614 364 H ILE 567 H ILE 567 18.732 -0.129 -1.460 365 HA ILE 567 HA ILE 567 18.790 -1.684 1.064 366 HB ILE 567 HB ILE 567 17.165 -0.061 1.143 367 HG12 ILE 567 1HG1 ILE 567 16.479 -2.485 1.717 368 HG13 ILE 567 2HG1 ILE 567 15.369 -1.125 1.735 369 HG21 ILE 567 1HG2 ILE 567 16.235 -0.803 -1.659 370 HG22 ILE 567 2HG2 ILE 567 15.267 0.161 -0.541 371 HG23 ILE 567 3HG2 ILE 567 16.847 0.753 -1.065 372 HD11 ILE 567 3HD1 ILE 567 15.598 -2.816 -0.749 373 HD12 ILE 567 1HD1 ILE 567 14.502 -3.278 0.600 374 HD13 ILE 567 2HD1 ILE 567 14.281 -1.753 -0.265 375 H LYS 568 H LYS 568 17.690 -3.780 0.905 376 HA LYS 568 HA LYS 568 18.094 -5.190 -1.672 377 HB2 LYS 568 1HB LYS 568 18.608 -7.150 -0.313 378 HB3 LYS 568 2HB LYS 568 19.867 -5.932 -0.213 379 HG2 LYS 568 1HG LYS 568 17.757 -6.389 1.939 380 HG3 LYS 568 2HG LYS 568 19.289 -7.213 1.910 381 HD2 LYS 568 1HD LYS 568 20.488 -5.441 2.688 382 HD3 LYS 568 2HD LYS 568 19.543 -4.240 1.852 383 HE2 LYS 568 1HE LYS 568 19.180 -3.969 4.203 384 HE3 LYS 568 2HE LYS 568 17.685 -4.541 3.470 385 HZ1 LYS 568 3HZ LYS 568 19.631 -6.091 5.057 386 HZ2 LYS 568 1HZ LYS 568 18.110 -5.826 5.486 387 HZ3 LYS 568 2HZ LYS 568 18.397 -6.846 4.251 388 H ILE 569 H ILE 569 16.231 -6.300 -2.344 389 HA ILE 569 HA ILE 569 13.851 -5.787 -0.767 390 HB ILE 569 HB ILE 569 14.218 -7.482 -3.262 391 HG12 ILE 569 1HG1 ILE 569 14.916 -5.287 -3.891 392 HG13 ILE 569 2HG1 ILE 569 13.257 -5.446 -4.415 393 HG21 ILE 569 1HG2 ILE 569 11.703 -6.248 -2.024 394 HG22 ILE 569 2HG2 ILE 569 11.791 -7.163 -3.550 395 HG23 ILE 569 3HG2 ILE 569 12.143 -7.954 -2.015 396 HD11 ILE 569 3HD1 ILE 569 14.225 -3.907 -1.995 397 HD12 ILE 569 1HD1 ILE 569 13.545 -3.239 -3.493 398 HD13 ILE 569 2HD1 ILE 569 12.528 -4.165 -2.377 399 H GLN 570 H GLN 570 12.787 -7.126 0.548 400 HA GLN 570 HA GLN 570 13.321 -9.928 0.747 401 HB2 GLN 570 1HB GLN 570 13.841 -9.834 3.167 402 HB3 GLN 570 2HB GLN 570 15.032 -8.849 2.323 403 HG2 GLN 570 1HG GLN 570 12.997 -6.992 2.931 404 HG3 GLN 570 2HG GLN 570 12.978 -8.063 4.310 405 HE21 GLN 570 1HE2 GLN 570 15.032 -5.889 2.300 406 HE22 GLN 570 2HE2 GLN 570 15.972 -5.356 3.644 407 H GLU 571 H GLU 571 11.423 -10.973 1.769 408 HA GLU 571 HA GLU 571 9.098 -9.264 1.803 409 HB2 GLU 571 1HB GLU 571 9.768 -12.178 1.909 410 HB3 GLU 571 2HB GLU 571 8.451 -11.691 2.950 411 HG2 GLU 571 1HG GLU 571 7.307 -10.617 1.004 412 HG3 GLU 571 2HG GLU 571 8.634 -11.130 -0.042 413 H GLY 572 H GLY 572 8.946 -7.894 3.534 414 HA2 GLY 572 1HA GLY 572 8.691 -8.389 6.159 415 HA3 GLY 572 2HA GLY 572 10.452 -8.419 5.992 416 H ILE 573 H ILE 573 9.919 -6.623 7.601 417 HA ILE 573 HA ILE 573 9.076 -4.036 6.531 418 HB ILE 573 HB ILE 573 10.285 -4.926 9.182 419 HG12 ILE 573 1HG1 ILE 573 7.901 -5.648 8.562 420 HG13 ILE 573 2HG1 ILE 573 8.143 -4.889 10.118 421 HG21 ILE 573 1HG2 ILE 573 10.951 -2.621 8.934 422 HG22 ILE 573 2HG2 ILE 573 9.329 -2.139 8.402 423 HG23 ILE 573 3HG2 ILE 573 9.609 -2.687 10.069 424 HD11 ILE 573 3HD1 ILE 573 7.119 -3.373 7.683 425 HD12 ILE 573 1HD1 ILE 573 6.079 -4.151 8.897 426 HD13 ILE 573 2HD1 ILE 573 7.140 -2.816 9.368 427 H VAL 574 H VAL 574 10.335 -2.501 5.739 428 HA VAL 574 HA VAL 574 13.279 -2.820 5.704 429 HB VAL 574 HB VAL 574 11.293 -2.244 3.475 430 HG11 VAL 574 1HG1 VAL 574 13.243 -1.626 2.057 431 HG12 VAL 574 2HG1 VAL 574 12.991 -0.460 3.330 432 HG13 VAL 574 3HG1 VAL 574 14.281 -1.661 3.512 433 HG21 VAL 574 3HG2 VAL 574 12.794 -4.025 2.385 434 HG22 VAL 574 1HG2 VAL 574 13.559 -4.214 3.966 435 HG23 VAL 574 2HG2 VAL 574 11.837 -4.581 3.763 436 H ASP 575 H ASP 575 14.286 -1.076 6.368 437 HA ASP 575 HA ASP 575 12.826 1.505 6.666 438 HB2 ASP 575 1HB ASP 575 13.123 0.118 8.770 439 HB3 ASP 575 2HB ASP 575 14.854 0.418 8.642 440 H TYR 576 H TYR 576 13.680 2.367 4.770 441 HA TYR 576 HA TYR 576 16.399 3.396 5.053 442 HD1 TYR 576 2HD TYR 576 18.825 3.284 3.952 443 HD2 TYR 576 1HD TYR 576 16.232 2.036 0.750 444 HE1 TYR 576 2HE TYR 576 20.400 4.224 2.298 445 HE2 TYR 576 1HE TYR 576 17.865 2.849 -0.896 446 HH TYR 576 HH TYR 576 21.017 4.162 -0.142 447 HB2 TYR 576 1HB TYR 576 17.029 1.274 4.095 448 HB3 TYR 576 2HB TYR 576 15.749 1.329 2.929 449 H GLY 577 H GLY 577 15.653 5.509 4.824 450 HA2 GLY 577 1HA GLY 577 15.131 7.383 3.659 451 HA3 GLY 577 2HA GLY 577 14.872 6.423 2.190 452 H VAL 578 H VAL 578 12.852 4.728 2.845 453 HA VAL 578 HA VAL 578 10.679 6.207 4.177 454 HB VAL 578 HB VAL 578 10.764 5.061 1.377 455 HG11 VAL 578 1HG1 VAL 578 8.802 3.945 2.320 456 HG12 VAL 578 2HG1 VAL 578 8.181 5.513 2.915 457 HG13 VAL 578 3HG1 VAL 578 8.346 5.198 1.167 458 HG21 VAL 578 3HG2 VAL 578 11.126 7.476 1.647 459 HG22 VAL 578 1HG2 VAL 578 9.613 7.162 0.803 460 HG23 VAL 578 2HG2 VAL 578 9.588 7.618 2.519 461 H ARG 579 H ARG 579 9.042 4.520 4.962 462 HA ARG 579 HA ARG 579 10.510 2.099 5.798 463 HE ARG 579 HE ARG 579 7.884 1.031 10.749 464 HB2 ARG 579 1HB ARG 579 9.265 3.837 7.357 465 HB3 ARG 579 2HB ARG 579 7.821 2.960 6.897 466 HG2 ARG 579 1HG ARG 579 8.764 0.871 7.748 467 HG3 ARG 579 2HG ARG 579 10.348 1.629 7.956 468 HD2 ARG 579 1HD ARG 579 9.588 3.045 9.737 469 HD3 ARG 579 2HD ARG 579 7.892 2.707 9.350 470 HH11 ARG 579 2HH2 ARG 579 11.362 1.430 9.878 471 HH12 ARG 579 1HH2 ARG 579 11.807 -0.002 10.776 472 HH21 ARG 579 2HH1 ARG 579 8.575 -0.653 12.031 473 HH22 ARG 579 1HH1 ARG 579 10.264 -1.033 12.220 474 H PHE 580 H PHE 580 10.256 0.530 4.321 475 HA PHE 580 HA PHE 580 7.650 0.412 2.851 476 HD1 PHE 580 1HD PHE 580 7.630 1.349 0.420 477 HD2 PHE 580 2HD PHE 580 11.684 1.175 1.716 478 HE1 PHE 580 1HE PHE 580 8.122 3.317 -0.976 479 HE2 PHE 580 2HE PHE 580 12.237 3.142 0.183 480 HZ PHE 580 HZ PHE 580 10.439 4.174 -1.137 481 HB2 PHE 580 1HB PHE 580 10.332 -0.727 2.053 482 HB3 PHE 580 2HB PHE 580 8.841 -0.909 1.154 483 H PHE 581 H PHE 581 6.746 -1.745 2.414 484 HA PHE 581 HA PHE 581 7.805 -3.986 4.019 485 HD1 PHE 581 2HD PHE 581 7.102 -5.221 6.327 486 HD2 PHE 581 1HD PHE 581 3.675 -5.090 3.726 487 HE1 PHE 581 2HE PHE 581 6.490 -7.510 7.037 488 HE2 PHE 581 1HE PHE 581 3.066 -7.385 4.434 489 HZ PHE 581 HZ PHE 581 4.491 -8.624 6.040 490 HB2 PHE 581 1HB PHE 581 6.125 -3.032 5.483 491 HB3 PHE 581 2HB PHE 581 4.920 -3.059 4.205 492 H PHE 582 H PHE 582 8.364 -5.227 2.353 493 HA PHE 582 HA PHE 582 6.812 -5.320 -0.120 494 HD1 PHE 582 2HD PHE 582 8.284 -4.580 -2.098 495 HD2 PHE 582 1HD PHE 582 10.876 -5.009 1.313 496 HE1 PHE 582 2HE PHE 582 9.493 -2.509 -2.756 497 HE2 PHE 582 1HE PHE 582 12.087 -2.926 0.628 498 HZ PHE 582 HZ PHE 582 11.402 -1.677 -1.371 499 HB2 PHE 582 1HB PHE 582 9.290 -6.671 0.872 500 HB3 PHE 582 2HB PHE 582 8.700 -6.888 -0.745 501 H TYR 583 H TYR 583 5.324 -6.871 -0.599 502 HA TYR 583 HA TYR 583 5.216 -9.412 0.940 503 HD1 TYR 583 1HD TYR 583 1.621 -9.136 -0.974 504 HD2 TYR 583 2HD TYR 583 3.090 -5.546 0.863 505 HE1 TYR 583 1HE TYR 583 0.232 -7.838 -2.525 506 HE2 TYR 583 2HE TYR 583 1.587 -4.201 -0.554 507 HH TYR 583 HH TYR 583 0.049 -4.230 -2.368 508 HB2 TYR 583 1HB TYR 583 2.866 -9.208 1.163 509 HB3 TYR 583 2HB TYR 583 3.587 -7.756 1.842 510 H THR 584 H THR 584 3.475 -10.938 -0.240 511 HA THR 584 HA THR 584 4.171 -10.885 -3.126 512 HB THR 584 HB THR 584 3.893 -13.446 -2.771 513 HG1 THR 584 1HG THR 584 4.845 -12.992 -0.175 514 HG21 THR 584 3HG2 THR 584 6.281 -11.912 -1.668 515 HG22 THR 584 1HG2 THR 584 6.269 -13.647 -2.076 516 HG23 THR 584 2HG2 THR 584 6.032 -12.424 -3.339 517 H SER 585 H SER 585 2.584 -11.778 -4.599 518 HA SER 585 HA SER 585 0.008 -10.687 -3.868 519 HG SER 585 HG SER 585 -0.076 -13.033 -6.636 520 HB2 SER 585 1HB SER 585 -0.566 -11.024 -6.130 521 HB3 SER 585 2HB SER 585 1.129 -10.540 -6.143 522 H LYS 586 H LYS 586 1.393 -13.928 -3.936 523 HA LYS 586 HA LYS 586 -1.022 -15.428 -4.309 524 HB2 LYS 586 1HB LYS 586 1.513 -16.369 -2.990 525 HB3 LYS 586 2HB LYS 586 0.200 -17.352 -3.638 526 HG2 LYS 586 1HG LYS 586 0.662 -16.371 -5.929 527 HG3 LYS 586 2HG LYS 586 2.052 -15.509 -5.221 528 HD2 LYS 586 1HD LYS 586 2.815 -17.786 -4.343 529 HD3 LYS 586 2HD LYS 586 1.617 -18.506 -5.430 530 HE2 LYS 586 1HE LYS 586 3.699 -16.504 -6.396 531 HE3 LYS 586 2HE LYS 586 4.136 -18.198 -6.169 532 HZ1 LYS 586 3HZ LYS 586 3.533 -17.760 -8.414 533 HZ2 LYS 586 1HZ LYS 586 2.494 -18.837 -7.764 534 HZ3 LYS 586 2HZ LYS 586 2.037 -17.242 -8.027 535 H GLU 587 H GLU 587 0.736 -14.298 -1.452 536 HA GLU 587 HA GLU 587 -0.359 -15.612 0.616 537 HB2 GLU 587 1HB GLU 587 1.418 -13.652 0.316 538 HB3 GLU 587 2HB GLU 587 0.102 -12.611 0.809 539 HG2 GLU 587 1HG GLU 587 0.309 -13.228 2.988 540 HG3 GLU 587 2HG GLU 587 0.423 -14.939 2.604 541 HA PRO 588 HA PRO 588 -4.702 -14.712 0.454 542 HB2 PRO 588 1HB PRO 588 -5.327 -14.866 3.228 543 HB3 PRO 588 2HB PRO 588 -5.439 -16.159 2.016 544 HG2 PRO 588 1HG PRO 588 -3.486 -15.852 4.156 545 HG3 PRO 588 2HG PRO 588 -3.720 -17.229 3.063 546 HD2 PRO 588 1HD PRO 588 -1.657 -15.235 3.007 547 HD3 PRO 588 2HD PRO 588 -1.872 -16.612 1.895 548 H VAL 589 H VAL 589 -5.699 -12.728 0.225 549 HA VAL 589 HA VAL 589 -4.668 -10.344 1.208 550 HB VAL 589 HB VAL 589 -7.621 -10.867 0.674 551 HG11 VAL 589 1HG1 VAL 589 -7.770 -8.459 0.235 552 HG12 VAL 589 2HG1 VAL 589 -7.227 -8.732 1.875 553 HG13 VAL 589 3HG1 VAL 589 -6.048 -8.242 0.647 554 HG21 VAL 589 3HG2 VAL 589 -6.236 -11.450 -1.298 555 HG22 VAL 589 1HG2 VAL 589 -7.170 -9.986 -1.579 556 HG23 VAL 589 2HG2 VAL 589 -5.450 -9.848 -1.177 557 H ALA 590 H ALA 590 -7.001 -12.532 2.792 558 HA ALA 590 HA ALA 590 -7.609 -11.086 5.077 559 HB1 ALA 590 1HB ALA 590 -8.673 -13.195 4.543 560 HB2 ALA 590 2HB ALA 590 -7.134 -14.070 4.720 561 HB3 ALA 590 3HB ALA 590 -7.911 -13.335 6.133 562 H SER 591 H SER 591 -4.771 -13.362 4.797 563 HA SER 591 HA SER 591 -3.815 -12.672 7.408 564 HG SER 591 HG SER 591 -1.951 -14.633 7.836 565 HB2 SER 591 1HB SER 591 -3.306 -14.839 6.203 566 HB3 SER 591 2HB SER 591 -2.224 -13.930 5.142 567 H ILE 592 H ILE 592 -2.844 -11.561 4.048 568 HA ILE 592 HA ILE 592 -0.660 -10.109 4.944 569 HB ILE 592 HB ILE 592 -1.818 -10.960 2.571 570 HG12 ILE 592 1HG1 ILE 592 0.571 -10.711 3.146 571 HG13 ILE 592 2HG1 ILE 592 0.161 -10.225 1.497 572 HG21 ILE 592 1HG2 ILE 592 -3.295 -9.089 2.252 573 HG22 ILE 592 2HG2 ILE 592 -1.967 -7.956 2.484 574 HG23 ILE 592 3HG2 ILE 592 -1.953 -9.031 1.068 575 HD11 ILE 592 3HD1 ILE 592 0.178 -8.196 3.721 576 HD12 ILE 592 1HD1 ILE 592 1.680 -8.663 2.922 577 HD13 ILE 592 2HD1 ILE 592 0.356 -7.934 1.974 578 H ILE 593 H ILE 593 -4.125 -9.275 4.759 579 HA ILE 593 HA ILE 593 -3.719 -6.586 5.762 580 HB ILE 593 HB ILE 593 -6.127 -8.382 5.403 581 HG12 ILE 593 1HG1 ILE 593 -5.195 -5.685 4.282 582 HG13 ILE 593 2HG1 ILE 593 -5.147 -7.237 3.450 583 HG21 ILE 593 1HG2 ILE 593 -6.646 -7.279 7.468 584 HG22 ILE 593 2HG2 ILE 593 -6.165 -5.689 6.806 585 HG23 ILE 593 3HG2 ILE 593 -7.599 -6.549 6.198 586 HD11 ILE 593 3HD1 ILE 593 -6.994 -6.080 2.545 587 HD12 ILE 593 1HD1 ILE 593 -7.709 -7.273 3.654 588 HD13 ILE 593 2HD1 ILE 593 -7.568 -5.562 4.135 589 H THR 594 H THR 594 -4.532 -9.704 7.449 590 HA THR 594 HA THR 594 -4.586 -8.855 10.042 591 HB THR 594 HB THR 594 -3.182 -11.349 8.999 592 HG1 THR 594 1HG THR 594 -5.857 -10.592 9.547 593 HG21 THR 594 3HG2 THR 594 -3.675 -12.369 11.119 594 HG22 THR 594 1HG2 THR 594 -2.709 -10.930 11.405 595 HG23 THR 594 2HG2 THR 594 -4.456 -10.870 11.700 596 H LYS 595 H LYS 595 -1.446 -9.318 8.176 597 HA LYS 595 HA LYS 595 0.096 -8.721 10.531 598 HB2 LYS 595 1HB LYS 595 0.575 -8.713 7.562 599 HB3 LYS 595 2HB LYS 595 1.825 -8.196 8.692 600 HG2 LYS 595 1HG LYS 595 2.172 -10.281 9.572 601 HG3 LYS 595 2HG LYS 595 0.457 -10.698 9.478 602 HD2 LYS 595 1HD LYS 595 0.687 -11.006 7.011 603 HD3 LYS 595 2HD LYS 595 2.440 -10.775 7.217 604 HE2 LYS 595 1HE LYS 595 1.943 -13.158 7.174 605 HE3 LYS 595 2HE LYS 595 2.663 -12.618 8.684 606 HZ1 LYS 595 3HZ LYS 595 0.964 -14.145 9.097 607 HZ2 LYS 595 1HZ LYS 595 0.508 -12.704 9.719 608 HZ3 LYS 595 2HZ LYS 595 -0.198 -13.258 8.314 609 H LEU 596 H LEU 596 -1.227 -6.607 7.947 610 HA LEU 596 HA LEU 596 -0.247 -4.175 9.078 611 HG LEU 596 HG LEU 596 -1.019 -5.430 6.205 612 HB2 LEU 596 1HB LEU 596 -2.877 -4.569 7.638 613 HB3 LEU 596 2HB LEU 596 -2.012 -3.053 7.833 614 HD11 LEU 596 1HD1 LEU 596 -3.073 -4.460 5.235 615 HD12 LEU 596 2HD1 LEU 596 -2.343 -2.842 5.287 616 HD13 LEU 596 3HD1 LEU 596 -1.663 -4.094 4.233 617 HD21 LEU 596 3HD2 LEU 596 -0.067 -2.559 6.208 618 HD22 LEU 596 1HD2 LEU 596 0.740 -3.867 7.086 619 HD23 LEU 596 2HD2 LEU 596 0.659 -3.925 5.326 620 H ASN 597 H ASN 597 -2.974 -6.251 10.066 621 HA ASN 597 HA ASN 597 -4.227 -4.323 11.864 622 HB2 ASN 597 1HB ASN 597 -4.258 -7.390 12.135 623 HB3 ASN 597 2HB ASN 597 -5.153 -6.246 13.040 624 HD21 ASN 597 1HD2 ASN 597 -4.917 -6.316 9.398 625 HD22 ASN 597 2HD2 ASN 597 -6.635 -6.577 9.274 626 H SER 598 H SER 598 -1.873 -6.993 12.142 627 HA SER 598 HA SER 598 -1.739 -6.958 14.920 628 HG SER 598 HG SER 598 1.597 -8.423 13.671 629 HB2 SER 598 1HB SER 598 -0.093 -8.566 14.775 630 HB3 SER 598 2HB SER 598 -0.954 -8.759 13.242 631 H LEU 599 H LEU 599 0.351 -5.503 12.545 632 HA LEU 599 HA LEU 599 2.159 -4.131 14.250 633 HG LEU 599 HG LEU 599 2.328 -5.752 11.730 634 HB2 LEU 599 1HB LEU 599 1.219 -3.457 11.436 635 HB3 LEU 599 2HB LEU 599 2.629 -2.743 12.225 636 HD11 LEU 599 1HD1 LEU 599 2.359 -4.527 9.592 637 HD12 LEU 599 2HD1 LEU 599 3.822 -3.645 10.101 638 HD13 LEU 599 3HD1 LEU 599 3.876 -5.404 9.832 639 HD21 LEU 599 3HD2 LEU 599 4.741 -4.080 12.520 640 HD22 LEU 599 1HD2 LEU 599 3.897 -5.301 13.509 641 HD23 LEU 599 2HD2 LEU 599 4.761 -5.803 12.060 642 H ASN 600 H ASN 600 -0.993 -3.117 12.858 643 HA ASN 600 HA ASN 600 -2.389 -1.433 13.262 644 HB2 ASN 600 1HB ASN 600 -2.487 -2.542 15.470 645 HB3 ASN 600 2HB ASN 600 -1.258 -1.412 16.059 646 HD21 ASN 600 1HD2 ASN 600 -2.793 -0.665 17.658 647 HD22 ASN 600 2HD2 ASN 600 -4.168 0.318 17.204 648 H GLU 601 H GLU 601 -0.026 -0.787 11.983 649 HA GLU 601 HA GLU 601 0.914 1.743 13.133 650 HB2 GLU 601 1HB GLU 601 1.987 -0.127 11.020 651 HB3 GLU 601 2HB GLU 601 2.580 1.530 11.118 652 HG2 GLU 601 1HG GLU 601 2.580 -0.312 13.539 653 HG3 GLU 601 2HG GLU 601 3.883 -0.267 12.368 654 HA PRO 602 HA PRO 602 -1.407 3.973 10.033 655 HB2 PRO 602 1HB PRO 602 0.052 6.283 9.757 656 HB3 PRO 602 2HB PRO 602 -0.914 5.927 11.215 657 HG2 PRO 602 1HG PRO 602 2.052 5.578 10.813 658 HG3 PRO 602 2HG PRO 602 1.160 6.210 12.245 659 HD2 PRO 602 1HD PRO 602 2.134 3.641 12.000 660 HD3 PRO 602 2HD PRO 602 0.733 4.068 13.015 661 H LEU 603 H LEU 603 -1.502 3.951 7.829 662 HA LEU 603 HA LEU 603 1.021 3.390 6.353 663 HG LEU 603 HG LEU 603 0.088 1.333 7.966 664 HB2 LEU 603 1HB LEU 603 -1.621 2.010 5.805 665 HB3 LEU 603 2HB LEU 603 -0.099 1.691 5.051 666 HD11 LEU 603 1HD1 LEU 603 -2.285 0.705 7.743 667 HD12 LEU 603 2HD1 LEU 603 -1.838 -0.497 6.499 668 HD13 LEU 603 3HD1 LEU 603 -1.256 -0.659 8.173 669 HD21 LEU 603 3HD2 LEU 603 1.083 -0.796 7.293 670 HD22 LEU 603 1HD2 LEU 603 0.531 -0.530 5.615 671 HD23 LEU 603 2HD2 LEU 603 1.744 0.535 6.327 672 H VAL 604 H VAL 604 0.828 3.623 3.989 673 HA VAL 604 HA VAL 604 -1.423 5.135 2.891 674 HB VAL 604 HB VAL 604 -0.162 6.990 3.607 675 HG11 VAL 604 1HG1 VAL 604 2.217 7.422 3.190 676 HG12 VAL 604 2HG1 VAL 604 1.994 6.008 4.222 677 HG13 VAL 604 3HG1 VAL 604 2.409 5.797 2.512 678 HG21 VAL 604 3HG2 VAL 604 -0.903 7.164 1.253 679 HG22 VAL 604 1HG2 VAL 604 0.544 8.130 1.596 680 HG23 VAL 604 2HG2 VAL 604 0.692 6.603 0.711 681 H THR 605 H THR 605 -1.888 3.766 1.132 682 HA THR 605 HA THR 605 0.241 2.954 -0.645 683 HB THR 605 HB THR 605 0.438 1.347 1.297 684 HG1 THR 605 1HG THR 605 1.218 0.009 -0.163 685 HG21 THR 605 3HG2 THR 605 -2.355 0.936 0.982 686 HG22 THR 605 1HG2 THR 605 -1.556 -0.539 0.449 687 HG23 THR 605 2HG2 THR 605 -1.210 0.084 2.049 688 H MET 606 H MET 606 -0.905 1.131 -2.225 689 HA MET 606 HA MET 606 -3.451 2.205 -3.212 690 HB2 MET 606 1HB MET 606 -1.419 0.216 -4.352 691 HB3 MET 606 2HB MET 606 -2.931 0.631 -5.127 692 HG2 MET 606 1HG MET 606 -2.098 3.088 -5.026 693 HG3 MET 606 2HG MET 606 -0.512 2.359 -4.755 694 HE1 MET 606 3HE MET 606 0.334 0.302 -6.385 695 HE2 MET 606 1HE MET 606 -1.221 -0.457 -6.814 696 HE3 MET 606 2HE MET 606 -0.155 0.162 -8.084 697 HA PRO 607 HA PRO 607 -5.416 -1.099 -1.209 698 HB2 PRO 607 1HB PRO 607 -7.112 -2.303 -3.058 699 HB3 PRO 607 2HB PRO 607 -7.435 -0.805 -2.144 700 HG2 PRO 607 1HG PRO 607 -6.479 -1.114 -4.967 701 HG3 PRO 607 2HG PRO 607 -7.568 0.118 -4.299 702 HD2 PRO 607 1HD PRO 607 -4.919 0.514 -4.867 703 HD3 PRO 607 2HD PRO 607 -5.656 1.442 -3.554 704 H ILE 608 H ILE 608 -5.153 -3.273 -0.662 705 HA ILE 608 HA ILE 608 -2.702 -4.354 -1.869 706 HB ILE 608 HB ILE 608 -4.251 -4.978 0.691 707 HG12 ILE 608 1HG1 ILE 608 -3.142 -2.722 0.666 708 HG13 ILE 608 2HG1 ILE 608 -2.618 -3.810 1.937 709 HG21 ILE 608 1HG2 ILE 608 -3.123 -6.988 0.180 710 HG22 ILE 608 2HG2 ILE 608 -1.661 -6.138 -0.365 711 HG23 ILE 608 3HG2 ILE 608 -2.087 -6.141 1.351 712 HD11 ILE 608 3HD1 ILE 608 -0.755 -2.560 0.928 713 HD12 ILE 608 1HD1 ILE 608 -0.538 -4.295 0.756 714 HD13 ILE 608 2HD1 ILE 608 -1.065 -3.317 -0.636 715 H GLY 609 H GLY 609 -5.944 -5.490 -0.864 716 HA2 GLY 609 1HA GLY 609 -5.768 -7.889 -2.571 717 HA3 GLY 609 2HA GLY 609 -7.100 -7.403 -1.514 718 H TYR 610 H TYR 610 -5.462 -6.432 -4.503 719 HA TYR 610 HA TYR 610 -8.025 -5.881 -5.791 720 HD1 TYR 610 2HD TYR 610 -9.207 -4.922 -7.223 721 HD2 TYR 610 1HD TYR 610 -6.090 -1.883 -7.295 722 HE1 TYR 610 2HE TYR 610 -10.106 -4.044 -9.239 723 HE2 TYR 610 1HE TYR 610 -7.107 -0.934 -9.328 724 HH TYR 610 HH TYR 610 -8.699 -1.231 -11.004 725 HB2 TYR 610 1HB TYR 610 -7.223 -3.669 -4.974 726 HB3 TYR 610 2HB TYR 610 -5.767 -3.859 -5.926 727 H VAL 611 H VAL 611 -6.654 -5.113 -8.194 728 HA VAL 611 HA VAL 611 -6.041 -6.970 -9.800 729 HB VAL 611 HB VAL 611 -4.091 -5.647 -10.756 730 HG11 VAL 611 1HG1 VAL 611 -5.560 -3.817 -11.480 731 HG12 VAL 611 2HG1 VAL 611 -6.502 -5.313 -11.367 732 HG13 VAL 611 3HG1 VAL 611 -6.632 -4.092 -10.097 733 HG21 VAL 611 3HG2 VAL 611 -3.134 -4.533 -8.819 734 HG22 VAL 611 1HG2 VAL 611 -3.755 -3.343 -9.944 735 HG23 VAL 611 2HG2 VAL 611 -4.669 -3.707 -8.475 736 H THR 612 H THR 612 -3.321 -6.101 -7.574 737 HA THR 612 HA THR 612 -1.511 -8.029 -8.494 738 HB THR 612 HB THR 612 -0.460 -7.749 -6.256 739 HG1 THR 612 1HG THR 612 -1.569 -6.150 -4.876 740 HG21 THR 612 3HG2 THR 612 -0.337 -5.949 -8.108 741 HG22 THR 612 1HG2 THR 612 -1.508 -5.028 -7.158 742 HG23 THR 612 2HG2 THR 612 0.071 -5.427 -6.460 743 H HIS 613 H HIS 613 -3.913 -8.274 -5.940 744 HA HIS 613 HA HIS 613 -3.551 -11.135 -5.488 745 HD1 HIS 613 1HD HIS 613 -2.854 -8.027 -3.152 746 HD2 HIS 613 2HD HIS 613 -3.977 -12.041 -2.472 747 HE1 HIS 613 1HE HIS 613 -1.239 -8.986 -1.335 748 HE2 HIS 613 2HE HIS 613 -1.956 -11.481 -0.994 749 HB2 HIS 613 1HB HIS 613 -5.250 -8.951 -4.295 750 HB3 HIS 613 2HB HIS 613 -5.590 -10.635 -3.936 751 H GLY 614 H GLY 614 -4.945 -9.630 -8.054 752 HA2 GLY 614 1HA GLY 614 -6.556 -10.212 -9.563 753 HA3 GLY 614 2HA GLY 614 -6.651 -11.787 -8.763 754 H PHE 615 H PHE 615 -7.349 -8.788 -6.963 755 HA PHE 615 HA PHE 615 -10.130 -9.762 -6.382 756 HD1 PHE 615 2HD PHE 615 -8.834 -11.061 -4.886 757 HD2 PHE 615 1HD PHE 615 -10.022 -7.543 -2.743 758 HE1 PHE 615 2HE PHE 615 -9.285 -12.447 -2.873 759 HE2 PHE 615 1HE PHE 615 -10.435 -8.883 -0.713 760 HZ PHE 615 HZ PHE 615 -10.120 -11.374 -0.782 761 HB2 PHE 615 1HB PHE 615 -8.187 -7.934 -5.093 762 HB3 PHE 615 2HB PHE 615 -9.867 -7.470 -5.041 763 H ASN 616 H ASN 616 -11.821 -8.421 -6.702 764 HA ASN 616 HA ASN 616 -11.542 -6.485 -8.928 765 HB2 ASN 616 1HB ASN 616 -14.001 -6.361 -8.912 766 HB3 ASN 616 2HB ASN 616 -13.517 -8.022 -8.966 767 HD21 ASN 616 1HD2 ASN 616 -15.552 -5.924 -7.390 768 HD22 ASN 616 2HD2 ASN 616 -15.956 -6.960 -6.040 769 H LEU 617 H LEU 617 -12.780 -4.414 -8.656 770 HA LEU 617 HA LEU 617 -11.202 -3.024 -6.702 771 HG LEU 617 HG LEU 617 -12.836 -0.353 -6.646 772 HB2 LEU 617 1HB LEU 617 -11.786 -2.075 -8.939 773 HB3 LEU 617 2HB LEU 617 -13.473 -1.960 -8.436 774 HD11 LEU 617 1HD1 LEU 617 -10.032 -0.547 -7.846 775 HD12 LEU 617 2HD1 LEU 617 -10.559 0.675 -6.671 776 HD13 LEU 617 3HD1 LEU 617 -10.492 -1.024 -6.197 777 HD21 LEU 617 3HD2 LEU 617 -11.770 0.501 -9.355 778 HD22 LEU 617 1HD2 LEU 617 -13.478 0.480 -8.887 779 HD23 LEU 617 2HD2 LEU 617 -12.355 1.550 -8.036 780 H GLU 618 H GLU 618 -14.589 -3.975 -6.819 781 HA GLU 618 HA GLU 618 -15.375 -2.608 -4.408 782 HB2 GLU 618 1HB GLU 618 -17.069 -3.117 -5.901 783 HB3 GLU 618 2HB GLU 618 -16.564 -4.754 -6.154 784 HG2 GLU 618 1HG GLU 618 -17.221 -4.239 -3.283 785 HG3 GLU 618 2HG GLU 618 -18.502 -3.724 -4.333 786 H GLU 619 H GLU 619 -14.542 -6.207 -4.897 787 HA GLU 619 HA GLU 619 -14.535 -6.738 -2.198 788 HB2 GLU 619 1HB GLU 619 -13.089 -7.862 -4.589 789 HB3 GLU 619 2HB GLU 619 -12.648 -8.485 -3.025 790 HG2 GLU 619 1HG GLU 619 -15.562 -8.311 -3.909 791 HG3 GLU 619 2HG GLU 619 -14.548 -9.701 -4.219 792 H ALA 620 H ALA 620 -11.838 -5.332 -4.081 793 HA ALA 620 HA ALA 620 -9.980 -5.183 -2.014 794 HB1 ALA 620 1HB ALA 620 -8.934 -3.447 -3.301 795 HB2 ALA 620 2HB ALA 620 -9.663 -4.536 -4.467 796 HB3 ALA 620 3HB ALA 620 -10.460 -2.988 -4.098 797 H ALA 621 H ALA 621 -12.682 -2.950 -2.606 798 HA ALA 621 HA ALA 621 -12.037 -1.084 -0.509 799 HB1 ALA 621 1HB ALA 621 -14.290 -0.264 -0.872 800 HB2 ALA 621 2HB ALA 621 -13.605 -0.661 -2.463 801 HB3 ALA 621 3HB ALA 621 -14.771 -1.745 -1.697 802 H ARG 622 H ARG 622 -14.187 -3.913 -0.734 803 HA ARG 622 HA ARG 622 -15.181 -3.743 1.942 804 HE ARG 622 HE ARG 622 -18.306 -7.111 1.116 805 HB2 ARG 622 1HB ARG 622 -14.967 -6.229 0.188 806 HB3 ARG 622 2HB ARG 622 -15.993 -5.993 1.612 807 HG2 ARG 622 1HG ARG 622 -17.048 -4.000 0.360 808 HG3 ARG 622 2HG ARG 622 -16.202 -4.555 -1.066 809 HD2 ARG 622 1HD ARG 622 -18.419 -5.399 -1.206 810 HD3 ARG 622 2HD ARG 622 -17.343 -6.763 -0.905 811 HH11 ARG 622 2HH2 ARG 622 -19.500 -3.985 -0.099 812 HH12 ARG 622 1HH2 ARG 622 -20.437 -3.591 1.296 813 HH21 ARG 622 2HH1 ARG 622 -19.506 -6.595 2.985 814 HH22 ARG 622 1HH1 ARG 622 -20.581 -5.224 3.007 815 H CYS 623 H CYS 623 -12.364 -5.527 0.590 816 HA CYS 623 HA CYS 623 -11.607 -6.640 3.118 817 HG CYS 623 HG CYS 623 -11.380 -8.868 1.484 818 HB2 CYS 623 1HB CYS 623 -10.608 -6.724 0.384 819 HB3 CYS 623 2HB CYS 623 -9.290 -6.318 1.466 820 H MET 624 H MET 624 -10.793 -3.463 1.533 821 HA MET 624 HA MET 624 -8.918 -2.806 3.630 822 HB2 MET 624 1HB MET 624 -10.394 -1.178 1.563 823 HB3 MET 624 2HB MET 624 -9.568 -0.366 2.898 824 HG2 MET 624 1HG MET 624 -8.247 -2.322 0.999 825 HG3 MET 624 2HG MET 624 -8.116 -0.567 0.916 826 HE1 MET 624 3HE MET 624 -5.656 -0.039 1.081 827 HE2 MET 624 1HE MET 624 -4.524 -0.996 2.057 828 HE3 MET 624 2HE MET 624 -5.442 -1.785 0.765 829 H ARG 625 H ARG 625 -12.547 -2.483 3.506 830 HA ARG 625 HA ARG 625 -12.617 -1.144 6.029 831 HE ARG 625 HE ARG 625 -16.224 0.984 5.713 832 HB2 ARG 625 1HB ARG 625 -14.603 -3.022 4.676 833 HB3 ARG 625 2HB ARG 625 -14.876 -2.245 6.228 834 HG2 ARG 625 1HG ARG 625 -14.431 -0.011 5.121 835 HG3 ARG 625 2HG ARG 625 -14.431 -0.867 3.570 836 HD2 ARG 625 1HD ARG 625 -16.657 -0.671 3.483 837 HD3 ARG 625 2HD ARG 625 -16.793 -1.718 4.894 838 HH11 ARG 625 2HH2 ARG 625 -18.893 -0.670 4.071 839 HH12 ARG 625 1HH2 ARG 625 -20.119 -0.062 5.133 840 HH21 ARG 625 2HH1 ARG 625 -17.947 2.099 6.863 841 HH22 ARG 625 1HH1 ARG 625 -19.577 1.760 6.396 842 H SER 626 H SER 626 -11.777 -4.489 5.237 843 HA SER 626 HA SER 626 -12.254 -5.524 7.890 844 HG SER 626 HG SER 626 -12.299 -8.118 7.092 845 HB2 SER 626 1HB SER 626 -11.927 -6.745 5.542 846 HB3 SER 626 2HB SER 626 -10.212 -6.663 5.972 847 H LEU 627 H LEU 627 -9.715 -3.509 6.476 848 HA LEU 627 HA LEU 627 -7.620 -4.352 8.260 849 HG LEU 627 HG LEU 627 -6.314 -1.388 8.386 850 HB2 LEU 627 1HB LEU 627 -7.195 -3.207 6.102 851 HB3 LEU 627 2HB LEU 627 -8.024 -1.765 6.706 852 HD11 LEU 627 1HD1 LEU 627 -4.896 -3.815 7.233 853 HD12 LEU 627 2HD1 LEU 627 -4.240 -2.691 8.447 854 HD13 LEU 627 3HD1 LEU 627 -5.583 -3.738 8.865 855 HD21 LEU 627 3HD2 LEU 627 -5.104 -1.911 5.641 856 HD22 LEU 627 1HD2 LEU 627 -6.033 -0.474 6.122 857 HD23 LEU 627 2HD2 LEU 627 -4.474 -0.816 6.904 858 H LYS 628 H LYS 628 -6.856 -3.256 10.130 859 HA LYS 628 HA LYS 628 -8.889 -1.689 11.640 860 HB2 LYS 628 1HB LYS 628 -6.994 -3.847 12.659 861 HB3 LYS 628 2HB LYS 628 -8.220 -2.999 13.591 862 HG2 LYS 628 1HG LYS 628 -8.728 -5.001 11.347 863 HG3 LYS 628 2HG LYS 628 -8.966 -5.236 13.067 864 HD2 LYS 628 1HD LYS 628 -10.602 -3.187 12.895 865 HD3 LYS 628 2HD LYS 628 -10.540 -3.501 11.159 866 HE2 LYS 628 1HE LYS 628 -12.441 -4.598 11.889 867 HE3 LYS 628 2HE LYS 628 -11.240 -5.879 11.618 868 HZ1 LYS 628 3HZ LYS 628 -12.528 -6.133 13.637 869 HZ2 LYS 628 1HZ LYS 628 -10.932 -5.991 14.000 870 HZ3 LYS 628 2HZ LYS 628 -11.930 -4.719 14.253 871 H ALA 629 H ALA 629 -6.379 -0.795 10.073 872 HA ALA 629 HA ALA 629 -4.913 0.535 12.236 873 HB1 ALA 629 1HB ALA 629 -2.794 0.027 11.186 874 HB2 ALA 629 2HB ALA 629 -3.638 -1.508 11.466 875 HB3 ALA 629 3HB ALA 629 -3.587 -0.807 9.836 876 HA PRO 630 HA PRO 630 -6.137 3.727 9.645 877 HB2 PRO 630 1HB PRO 630 -4.503 5.827 10.280 878 HB3 PRO 630 2HB PRO 630 -5.767 5.156 11.325 879 HG2 PRO 630 1HG PRO 630 -2.804 4.773 11.480 880 HG3 PRO 630 2HG PRO 630 -3.984 4.812 12.809 881 HD2 PRO 630 1HD PRO 630 -2.862 2.511 11.686 882 HD3 PRO 630 2HD PRO 630 -4.361 2.567 12.654 883 H ALA 631 H ALA 631 -5.805 2.987 7.628 884 HA ALA 631 HA ALA 631 -3.334 3.466 6.122 885 HB1 ALA 631 1HB ALA 631 -5.899 1.871 5.680 886 HB2 ALA 631 2HB ALA 631 -4.661 2.057 4.434 887 HB3 ALA 631 3HB ALA 631 -4.247 1.270 5.975 888 H VAL 632 H VAL 632 -3.228 5.168 4.878 889 HA VAL 632 HA VAL 632 -5.573 6.370 3.527 890 HB VAL 632 HB VAL 632 -2.618 6.941 3.274 891 HG11 VAL 632 1HG1 VAL 632 -3.285 8.618 1.533 892 HG12 VAL 632 2HG1 VAL 632 -3.513 6.961 0.981 893 HG13 VAL 632 3HG1 VAL 632 -4.911 7.925 1.509 894 HG21 VAL 632 3HG2 VAL 632 -3.885 8.080 5.110 895 HG22 VAL 632 1HG2 VAL 632 -3.308 9.214 3.885 896 HG23 VAL 632 2HG2 VAL 632 -5.014 8.730 3.905 897 H VAL 633 H VAL 633 -6.353 5.466 1.716 898 HA VAL 633 HA VAL 633 -4.757 3.368 0.345 899 HB VAL 633 HB VAL 633 -7.696 3.885 -0.101 900 HG11 VAL 633 1HG1 VAL 633 -6.494 2.694 -1.872 901 HG12 VAL 633 2HG1 VAL 633 -5.827 1.544 -0.697 902 HG13 VAL 633 3HG1 VAL 633 -7.563 1.561 -1.042 903 HG21 VAL 633 3HG2 VAL 633 -8.238 1.882 1.200 904 HG22 VAL 633 1HG2 VAL 633 -6.577 1.867 1.863 905 HG23 VAL 633 2HG2 VAL 633 -7.690 3.223 2.193 906 H SER 634 H SER 634 -4.334 4.057 -1.959 907 HA SER 634 HA SER 634 -5.816 6.477 -2.805 908 HG SER 634 HG SER 634 -4.133 7.207 -5.094 909 HB2 SER 634 1HB SER 634 -3.395 7.042 -2.342 910 HB3 SER 634 2HB SER 634 -2.964 5.903 -3.634 911 H VAL 635 H VAL 635 -6.900 6.173 -4.727 912 HA VAL 635 HA VAL 635 -6.142 3.822 -6.413 913 HB VAL 635 HB VAL 635 -7.899 4.726 -7.914 914 HG11 VAL 635 1HG1 VAL 635 -8.984 4.443 -5.084 915 HG12 VAL 635 2HG1 VAL 635 -9.868 4.198 -6.603 916 HG13 VAL 635 3HG1 VAL 635 -8.566 3.091 -6.157 917 HG21 VAL 635 3HG2 VAL 635 -8.278 6.826 -5.736 918 HG22 VAL 635 1HG2 VAL 635 -7.654 7.119 -7.343 919 HG23 VAL 635 2HG2 VAL 635 -9.307 6.547 -7.132 920 H SER 636 H SER 636 -5.935 4.551 -8.812 921 HA SER 636 HA SER 636 -3.885 6.616 -8.872 922 HG SER 636 HG SER 636 -2.178 4.830 -10.442 923 HB2 SER 636 1HB SER 636 -4.045 4.187 -10.107 924 HB3 SER 636 2HB SER 636 -4.655 5.235 -11.399 925 H SER 637 H SER 637 -7.368 6.728 -9.135 926 HA SER 637 HA SER 637 -7.206 9.040 -10.885 927 HG SER 637 HG SER 637 -7.747 5.722 -12.430 928 HB2 SER 637 1HB SER 637 -9.314 7.899 -12.023 929 HB3 SER 637 2HB SER 637 -7.676 7.808 -12.676 930 HA PRO 638 HA PRO 638 -9.997 10.129 -7.903 931 HB2 PRO 638 1HB PRO 638 -11.063 12.511 -8.811 932 HB3 PRO 638 2HB PRO 638 -9.355 12.304 -8.305 933 HG2 PRO 638 1HG PRO 638 -10.491 12.262 -11.106 934 HG3 PRO 638 2HG PRO 638 -8.994 13.055 -10.521 935 HD2 PRO 638 1HD PRO 638 -9.061 10.601 -11.784 936 HD3 PRO 638 2HD PRO 638 -7.794 11.044 -10.617 937 H ASP 639 H ASP 639 -11.388 9.436 -11.057 938 HA ASP 639 HA ASP 639 -14.125 9.378 -9.988 939 HB2 ASP 639 1HB ASP 639 -13.485 9.729 -12.374 940 HB3 ASP 639 2HB ASP 639 -13.007 8.046 -12.475 941 H ALA 640 H ALA 640 -11.395 7.170 -10.218 942 HA ALA 640 HA ALA 640 -12.937 4.731 -9.784 943 HB1 ALA 640 1HB ALA 640 -10.758 4.534 -10.896 944 HB2 ALA 640 2HB ALA 640 -9.938 5.267 -9.494 945 HB3 ALA 640 3HB ALA 640 -10.720 3.679 -9.359 946 H VAL 641 H VAL 641 -11.265 7.143 -7.809 947 HA VAL 641 HA VAL 641 -11.394 5.786 -5.344 948 HB VAL 641 HB VAL 641 -10.468 8.230 -6.238 949 HG11 VAL 641 1HG1 VAL 641 -12.420 9.156 -4.199 950 HG12 VAL 641 2HG1 VAL 641 -10.954 9.962 -4.858 951 HG13 VAL 641 3HG1 VAL 641 -12.306 9.597 -5.923 952 HG21 VAL 641 3HG2 VAL 641 -9.832 8.415 -3.694 953 HG22 VAL 641 1HG2 VAL 641 -11.193 7.334 -3.366 954 HG23 VAL 641 2HG2 VAL 641 -9.770 6.721 -4.213 955 H THR 642 H THR 642 -13.554 8.188 -6.710 956 HA THR 642 HA THR 642 -15.286 8.045 -4.540 957 HB THR 642 HB THR 642 -14.793 9.368 -7.118 958 HG1 THR 642 1HG THR 642 -15.320 10.096 -4.473 959 HG21 THR 642 3HG2 THR 642 -16.936 10.691 -7.131 960 HG22 THR 642 1HG2 THR 642 -17.230 8.971 -7.494 961 HG23 THR 642 2HG2 THR 642 -17.595 9.609 -5.871 962 H THR 643 H THR 643 -15.191 6.258 -7.545 963 HA THR 643 HA THR 643 -17.621 4.755 -7.291 964 HB THR 643 HB THR 643 -14.898 4.098 -8.504 965 HG1 THR 643 1HG THR 643 -15.555 5.748 -9.623 966 HG21 THR 643 3HG2 THR 643 -17.597 2.804 -8.944 967 HG22 THR 643 1HG2 THR 643 -16.164 2.554 -9.974 968 HG23 THR 643 2HG2 THR 643 -16.137 2.051 -8.284 969 H TYR 644 H TYR 644 -14.242 4.007 -6.225 970 HA TYR 644 HA TYR 644 -14.660 1.566 -4.962 971 HD1 TYR 644 1HD TYR 644 -12.207 3.761 -2.260 972 HD2 TYR 644 2HD TYR 644 -11.917 0.202 -4.646 973 HE1 TYR 644 1HE TYR 644 -10.800 2.686 -0.483 974 HE2 TYR 644 2HE TYR 644 -10.461 -0.856 -2.891 975 HH TYR 644 HH TYR 644 -9.983 0.744 0.257 976 HB2 TYR 644 1HB TYR 644 -12.527 2.324 -5.646 977 HB3 TYR 644 2HB TYR 644 -12.609 3.774 -4.676 978 H ASN 645 H ASN 645 -14.723 4.869 -3.545 979 HA ASN 645 HA ASN 645 -15.200 4.091 -0.823 980 HB2 ASN 645 1HB ASN 645 -15.884 6.647 -2.355 981 HB3 ASN 645 2HB ASN 645 -15.996 6.491 -0.603 982 HD21 ASN 645 1HD2 ASN 645 -14.180 7.969 -2.675 983 HD22 ASN 645 2HD2 ASN 645 -12.595 7.644 -2.060 984 H GLY 646 H GLY 646 -17.197 4.844 -3.564 985 HA2 GLY 646 1HA GLY 646 -19.862 4.565 -2.551 986 HA3 GLY 646 2HA GLY 646 -19.325 4.023 -4.146 987 H TYR 647 H TYR 647 -17.758 1.931 -3.907 988 HA TYR 647 HA TYR 647 -19.359 -0.207 -3.002 989 HD1 TYR 647 1HD TYR 647 -19.552 -0.407 -5.263 990 HD2 TYR 647 2HD TYR 647 -15.228 -0.494 -5.289 991 HE1 TYR 647 1HE TYR 647 -19.564 -0.359 -7.726 992 HE2 TYR 647 2HE TYR 647 -15.236 -0.403 -7.735 993 HH TYR 647 HH TYR 647 -18.192 -0.940 -9.581 994 HB2 TYR 647 1HB TYR 647 -16.341 -0.311 -3.247 995 HB3 TYR 647 2HB TYR 647 -17.471 -1.641 -3.356 996 H LEU 648 H LEU 648 -16.769 1.530 -1.233 997 HA LEU 648 HA LEU 648 -16.612 -0.068 1.064 998 HG LEU 648 HG LEU 648 -14.618 0.556 1.368 999 HB2 LEU 648 1HB LEU 648 -16.114 2.759 0.353 1000 HB3 LEU 648 2HB LEU 648 -16.570 2.568 2.007 1001 HD11 LEU 648 1HD1 LEU 648 -13.564 3.302 0.716 1002 HD12 LEU 648 2HD1 LEU 648 -12.693 1.752 0.807 1003 HD13 LEU 648 3HD1 LEU 648 -13.885 2.007 -0.471 1004 HD21 LEU 648 3HD2 LEU 648 -14.331 3.103 3.003 1005 HD22 LEU 648 1HD2 LEU 648 -15.150 1.650 3.577 1006 HD23 LEU 648 2HD2 LEU 648 -13.409 1.587 3.206 1007 H THR 649 H THR 649 -18.814 2.796 0.623 1008 HA THR 649 HA THR 649 -20.656 1.454 2.516 1009 HB THR 649 HB THR 649 -18.733 2.512 3.683 1010 HG1 THR 649 1HG THR 649 -21.305 3.476 4.328 1011 HG21 THR 649 3HG2 THR 649 -18.718 4.935 4.061 1012 HG22 THR 649 1HG2 THR 649 -18.332 4.502 2.388 1013 HG23 THR 649 2HG2 THR 649 -19.935 5.143 2.791 1014 H SER 650 H SER 650 -20.562 3.396 -0.252 1015 HA SER 650 HA SER 650 -21.798 5.086 -1.113 1016 HG SER 650 HG SER 650 -22.911 3.285 -2.820 1017 HB2 SER 650 1HB SER 650 -23.997 3.201 -0.227 1018 HB3 SER 650 2HB SER 650 -24.142 4.446 -1.472 1019 H SER 651 H SER 651 -21.215 6.731 0.319 1020 HA SER 651 HA SER 651 -21.542 8.525 1.646 1021 HG SER 651 HG SER 651 -23.799 9.729 2.627 1022 HB2 SER 651 1HB SER 651 -23.539 8.691 0.020 1023 HB3 SER 651 2HB SER 651 -24.521 8.063 1.348 Start of MODEL 3 1 H1 GLY -4 H GLY -4 -1.326 19.824 10.399 2 HA2 GLY -4 1HA GLY -4 -1.795 17.698 11.491 3 HA3 GLY -4 2HA GLY -4 -3.221 18.282 10.605 4 H SER -3 H SER -3 -4.170 16.276 10.075 5 HA SER -3 HA SER -3 -2.629 14.347 8.462 6 HG SER -3 HG SER -3 -4.028 13.622 12.175 7 HB2 SER -3 1HB SER -3 -3.731 12.667 10.051 8 HB3 SER -3 2HB SER -3 -2.391 13.637 10.674 9 H HIS -2 H HIS -2 -4.157 12.574 7.628 10 HA HIS -2 HA HIS -2 -6.834 12.650 8.204 11 HD1 HIS -2 1HD HIS -2 -9.390 13.529 4.674 12 HD2 HIS -2 2HD HIS -2 -8.114 14.529 8.603 13 HE1 HIS -2 1HE HIS -2 -11.451 14.416 5.942 14 HE2 HIS -2 2HE HIS -2 -10.686 14.964 8.318 15 HB2 HIS -2 1HB HIS -2 -6.316 14.319 5.921 16 HB3 HIS -2 2HB HIS -2 -6.912 12.815 5.268 17 H MET -1 H MET -1 -7.967 10.824 7.109 18 HA MET -1 HA MET -1 -6.320 8.917 5.621 19 HB2 MET -1 1HB MET -1 -7.813 8.315 8.218 20 HB3 MET -1 2HB MET -1 -7.490 7.085 7.001 21 HG2 MET -1 1HG MET -1 -5.637 6.775 8.216 22 HG3 MET -1 2HG MET -1 -5.014 7.990 7.120 23 HE1 MET -1 3HE MET -1 -3.037 8.776 10.295 24 HE2 MET -1 1HE MET -1 -3.303 7.452 9.143 25 HE3 MET -1 2HE MET -1 -3.014 9.100 8.541 26 H GLY 527 H GLY 527 -7.702 7.319 4.581 27 HA2 GLY 527 1HA GLY 527 -9.959 6.759 3.762 28 HA3 GLY 527 2HA GLY 527 -10.277 8.505 3.644 29 H THR 528 H THR 528 -10.590 7.250 1.317 30 HA THR 528 HA THR 528 -8.119 6.631 -0.039 31 HB THR 528 HB THR 528 -10.990 6.731 -1.043 32 HG1 THR 528 1HG THR 528 -10.628 4.388 -0.681 33 HG21 THR 528 3HG2 THR 528 -9.387 6.520 -2.948 34 HG22 THR 528 1HG2 THR 528 -8.611 5.161 -2.136 35 HG23 THR 528 2HG2 THR 528 -10.303 5.018 -2.671 36 H VAL 529 H VAL 529 -7.353 7.639 -1.990 37 HA VAL 529 HA VAL 529 -8.186 10.382 -2.674 38 HB VAL 529 HB VAL 529 -5.899 11.218 -2.451 39 HG11 VAL 529 1HG1 VAL 529 -6.665 9.978 0.207 40 HG12 VAL 529 2HG1 VAL 529 -5.755 11.475 -0.072 41 HG13 VAL 529 3HG1 VAL 529 -7.485 11.399 -0.491 42 HG21 VAL 529 3HG2 VAL 529 -5.280 8.472 -1.306 43 HG22 VAL 529 1HG2 VAL 529 -4.544 9.217 -2.732 44 HG23 VAL 529 2HG2 VAL 529 -4.222 9.861 -1.112 45 H SER 530 H SER 530 -6.354 11.001 -4.601 46 HA SER 530 HA SER 530 -6.287 8.650 -6.414 47 HG SER 530 HG SER 530 -7.564 12.155 -6.270 48 HB2 SER 530 1HB SER 530 -6.467 10.462 -8.187 49 HB3 SER 530 2HB SER 530 -7.888 10.277 -7.146 50 H TRP 531 H TRP 531 -4.184 9.833 -4.485 51 HA TRP 531 HA TRP 531 -2.331 11.445 -5.822 52 HD1 TRP 531 HD TRP 531 -3.668 12.695 -4.147 53 HE1 TRP 531 1HE TRP 531 -4.284 13.704 -1.898 54 HE3 TRP 531 3HE TRP 531 -0.753 9.750 -1.189 55 HZ2 TRP 531 2HZ TRP 531 -3.635 13.196 0.955 56 HZ3 TRP 531 3HZ TRP 531 -0.782 9.985 1.246 57 HH2 TRP 531 HH TRP 531 -2.235 11.720 2.348 58 HB2 TRP 531 1HB TRP 531 -1.855 9.439 -3.588 59 HB3 TRP 531 2HB TRP 531 -0.732 10.676 -4.041 60 H ASN 532 H ASN 532 -0.261 11.109 -6.629 61 HA ASN 532 HA ASN 532 0.066 8.791 -8.378 62 HB2 ASN 532 1HB ASN 532 2.251 10.799 -7.671 63 HB3 ASN 532 2HB ASN 532 2.060 9.867 -9.154 64 HD21 ASN 532 1HD2 ASN 532 1.616 12.967 -7.737 65 HD22 ASN 532 2HD2 ASN 532 0.375 13.509 -8.816 66 H LEU 533 H LEU 533 2.102 7.449 -8.218 67 HA LEU 533 HA LEU 533 2.813 6.497 -5.645 68 HG LEU 533 HG LEU 533 3.997 3.982 -8.083 69 HB2 LEU 533 1HB LEU 533 3.884 6.335 -8.452 70 HB3 LEU 533 2HB LEU 533 5.032 6.021 -7.185 71 HD11 LEU 533 1HD1 LEU 533 3.308 4.402 -5.143 72 HD12 LEU 533 2HD1 LEU 533 3.572 2.860 -5.967 73 HD13 LEU 533 3HD1 LEU 533 4.908 4.001 -5.782 74 HD21 LEU 533 3HD2 LEU 533 1.407 4.924 -6.784 75 HD22 LEU 533 1HD2 LEU 533 1.730 4.892 -8.526 76 HD23 LEU 533 2HD2 LEU 533 1.686 3.379 -7.601 77 H ARG 534 H ARG 534 3.889 9.509 -7.383 78 HA ARG 534 HA ARG 534 6.289 9.734 -5.834 79 HE ARG 534 HE ARG 534 6.630 15.276 -7.568 80 HB2 ARG 534 1HB ARG 534 6.618 10.632 -7.853 81 HB3 ARG 534 2HB ARG 534 4.895 10.979 -8.149 82 HG2 ARG 534 1HG ARG 534 4.897 12.744 -6.778 83 HG3 ARG 534 2HG ARG 534 6.594 12.560 -6.212 84 HD2 ARG 534 1HD ARG 534 7.020 12.682 -8.896 85 HD3 ARG 534 2HD ARG 534 5.551 13.655 -8.814 86 HH11 ARG 534 2HH2 ARG 534 8.902 12.541 -8.077 87 HH12 ARG 534 1HH2 ARG 534 10.270 13.432 -7.526 88 HH21 ARG 534 2HH1 ARG 534 8.490 16.441 -6.962 89 HH22 ARG 534 1HH1 ARG 534 10.075 15.726 -7.085 90 H GLU 535 H GLU 535 2.890 11.067 -5.763 91 HA GLU 535 HA GLU 535 3.407 12.881 -3.647 92 HB2 GLU 535 1HB GLU 535 1.009 11.679 -5.021 93 HB3 GLU 535 2HB GLU 535 0.789 12.599 -3.540 94 HG2 GLU 535 1HG GLU 535 2.291 13.713 -5.943 95 HG3 GLU 535 2HG GLU 535 0.550 13.799 -5.791 96 H MET 536 H MET 536 2.253 9.491 -3.849 97 HA MET 536 HA MET 536 1.813 9.021 -1.081 98 HB2 MET 536 1HB MET 536 2.909 7.207 -3.284 99 HB3 MET 536 2HB MET 536 2.554 6.675 -1.645 100 HG2 MET 536 1HG MET 536 0.159 7.418 -1.985 101 HG3 MET 536 2HG MET 536 0.570 7.705 -3.685 102 HE1 MET 536 3HE MET 536 -1.431 4.410 -3.816 103 HE2 MET 536 1HE MET 536 -1.598 5.552 -2.478 104 HE3 MET 536 2HE MET 536 -1.353 6.158 -4.141 105 H LEU 537 H LEU 537 4.805 8.487 -3.046 106 HA LEU 537 HA LEU 537 6.362 7.541 -0.953 107 HG LEU 537 HG LEU 537 6.496 6.269 -3.301 108 HB2 LEU 537 1HB LEU 537 6.918 8.769 -3.625 109 HB3 LEU 537 2HB LEU 537 8.269 8.607 -2.522 110 HD11 LEU 537 1HD1 LEU 537 7.673 7.194 -5.274 111 HD12 LEU 537 2HD1 LEU 537 9.221 7.063 -4.403 112 HD13 LEU 537 3HD1 LEU 537 8.295 5.596 -4.827 113 HD21 LEU 537 3HD2 LEU 537 8.465 4.922 -2.498 114 HD22 LEU 537 1HD2 LEU 537 9.196 6.426 -1.906 115 HD23 LEU 537 2HD2 LEU 537 7.680 5.831 -1.206 116 H ALA 538 H ALA 538 6.134 10.936 -2.127 117 HA ALA 538 HA ALA 538 7.879 12.050 -0.125 118 HB1 ALA 538 1HB ALA 538 7.228 13.280 -2.163 119 HB2 ALA 538 2HB ALA 538 5.520 13.233 -1.686 120 HB3 ALA 538 3HB ALA 538 6.682 14.169 -0.731 121 H HIS 539 H HIS 539 4.341 11.378 -0.121 122 HA HIS 539 HA HIS 539 3.849 12.745 2.323 123 HD1 HIS 539 1HD HIS 539 1.327 13.873 2.480 124 HD2 HIS 539 2HD HIS 539 0.787 9.763 3.318 125 HE1 HIS 539 1HE HIS 539 -0.423 13.748 4.365 126 HE2 HIS 539 2HE HIS 539 -0.774 11.238 4.888 127 HB2 HIS 539 1HB HIS 539 2.084 11.906 0.643 128 HB3 HIS 539 2HB HIS 539 2.306 10.308 1.301 129 H ALA 540 H ALA 540 4.544 9.219 1.739 130 HA ALA 540 HA ALA 540 4.356 8.639 4.573 131 HB1 ALA 540 1HB ALA 540 4.759 7.076 2.150 132 HB2 ALA 540 2HB ALA 540 5.883 6.586 3.434 133 HB3 ALA 540 3HB ALA 540 4.170 6.577 3.749 134 H GLU 541 H GLU 541 7.068 9.611 2.397 135 HA GLU 541 HA GLU 541 9.221 9.210 4.164 136 HB2 GLU 541 1HB GLU 541 8.525 11.073 1.893 137 HB3 GLU 541 2HB GLU 541 9.803 11.590 2.955 138 HG2 GLU 541 1HG GLU 541 10.967 9.429 2.599 139 HG3 GLU 541 2HG GLU 541 9.705 8.970 1.436 140 H GLU 542 H GLU 542 7.144 12.180 3.772 141 HA GLU 542 HA GLU 542 8.273 13.395 5.991 142 HB2 GLU 542 1HB GLU 542 6.989 14.351 3.970 143 HB3 GLU 542 2HB GLU 542 5.506 13.918 4.805 144 HG2 GLU 542 1HG GLU 542 6.251 16.274 5.061 145 HG3 GLU 542 2HG GLU 542 5.940 15.448 6.593 146 H THR 543 H THR 543 5.372 11.342 5.792 147 HA THR 543 HA THR 543 4.761 11.968 8.637 148 HB THR 543 HB THR 543 2.579 10.978 8.242 149 HG1 THR 543 1HG THR 543 3.438 10.923 5.524 150 HG21 THR 543 3HG2 THR 543 2.967 13.413 8.040 151 HG22 THR 543 1HG2 THR 543 3.320 13.229 6.312 152 HG23 THR 543 2HG2 THR 543 1.702 12.857 6.939 153 H ARG 544 H ARG 544 6.718 9.784 7.250 154 HA ARG 544 HA ARG 544 7.639 7.877 7.835 155 HE ARG 544 HE ARG 544 10.598 10.799 10.373 156 HB2 ARG 544 1HB ARG 544 6.798 8.776 10.593 157 HB3 ARG 544 2HB ARG 544 7.721 7.311 10.323 158 HG2 ARG 544 1HG ARG 544 9.234 9.045 10.900 159 HG3 ARG 544 2HG ARG 544 9.528 8.537 9.244 160 HD2 ARG 544 1HD ARG 544 8.638 10.533 8.342 161 HD3 ARG 544 2HD ARG 544 7.825 10.958 9.835 162 HH11 ARG 544 2HH2 ARG 544 8.499 13.012 8.522 163 HH12 ARG 544 1HH2 ARG 544 9.671 14.264 8.427 164 HH21 ARG 544 2HH1 ARG 544 12.161 12.366 10.140 165 HH22 ARG 544 1HH1 ARG 544 11.829 13.871 9.350 166 H LYS 545 H LYS 545 5.059 7.627 6.698 167 HA LYS 545 HA LYS 545 3.571 5.660 8.336 168 HB2 LYS 545 1HB LYS 545 2.903 7.110 5.733 169 HB3 LYS 545 2HB LYS 545 1.870 5.883 6.490 170 HG2 LYS 545 1HG LYS 545 2.042 7.249 8.639 171 HG3 LYS 545 2HG LYS 545 2.764 8.534 7.696 172 HD2 LYS 545 1HD LYS 545 0.752 8.868 6.417 173 HD3 LYS 545 2HD LYS 545 0.091 7.338 7.009 174 HE2 LYS 545 1HE LYS 545 -0.908 8.457 8.690 175 HE3 LYS 545 2HE LYS 545 0.691 8.705 9.378 176 HZ1 LYS 545 3HZ LYS 545 -0.670 10.569 7.549 177 HZ2 LYS 545 1HZ LYS 545 -0.516 10.742 9.183 178 HZ3 LYS 545 2HZ LYS 545 0.812 10.816 8.277 179 H LEU 546 H LEU 546 2.845 3.664 7.452 180 HA LEU 546 HA LEU 546 5.101 2.207 6.378 181 HG LEU 546 HG LEU 546 3.458 -0.406 5.741 182 HB2 LEU 546 1HB LEU 546 3.572 1.401 8.197 183 HB3 LEU 546 2HB LEU 546 2.247 1.356 7.034 184 HD11 LEU 546 1HD1 LEU 546 5.389 -1.574 6.958 185 HD12 LEU 546 2HD1 LEU 546 5.783 -0.036 6.221 186 HD13 LEU 546 3HD1 LEU 546 5.514 -0.131 7.968 187 HD21 LEU 546 3HD2 LEU 546 3.093 -1.000 8.706 188 HD22 LEU 546 1HD2 LEU 546 1.808 -0.994 7.482 189 HD23 LEU 546 2HD2 LEU 546 3.107 -2.207 7.393 190 H MET 547 H MET 547 5.423 1.649 4.262 191 HA MET 547 HA MET 547 3.125 1.915 2.348 192 HB2 MET 547 1HB MET 547 4.760 3.650 2.036 193 HB3 MET 547 2HB MET 547 6.058 2.473 1.848 194 HG2 MET 547 1HG MET 547 4.954 1.521 -0.137 195 HG3 MET 547 2HG MET 547 3.563 2.580 0.091 196 HE1 MET 547 3HE MET 547 4.922 5.469 0.696 197 HE2 MET 547 1HE MET 547 4.763 6.040 -0.974 198 HE3 MET 547 2HE MET 547 3.483 5.032 -0.255 199 HA PRO 548 HA PRO 548 4.342 -2.464 2.025 200 HB2 PRO 548 1HB PRO 548 1.804 -3.371 1.233 201 HB3 PRO 548 2HB PRO 548 2.424 -3.334 2.908 202 HG2 PRO 548 1HG PRO 548 0.677 -1.365 1.449 203 HG3 PRO 548 2HG PRO 548 0.548 -1.954 3.144 204 HD2 PRO 548 1HD PRO 548 1.586 0.476 2.455 205 HD3 PRO 548 2HD PRO 548 2.232 -0.460 3.827 206 H ILE 549 H ILE 549 4.852 -3.694 0.141 207 HA ILE 549 HA ILE 549 4.166 -2.449 -2.461 208 HB ILE 549 HB ILE 549 6.991 -3.368 -1.846 209 HG12 ILE 549 1HG1 ILE 549 7.324 -0.737 -2.011 210 HG13 ILE 549 2HG1 ILE 549 5.700 -0.691 -1.338 211 HG21 ILE 549 1HG2 ILE 549 7.520 -2.156 -3.877 212 HG22 ILE 549 2HG2 ILE 549 6.297 -3.366 -4.230 213 HG23 ILE 549 3HG2 ILE 549 5.822 -1.662 -4.074 214 HD11 ILE 549 3HD1 ILE 549 7.482 -0.682 0.345 215 HD12 ILE 549 1HD1 ILE 549 6.510 -2.152 0.527 216 HD13 ILE 549 2HD1 ILE 549 8.107 -2.230 -0.228 217 H CYS 550 H CYS 550 3.614 -3.945 -4.029 218 HA CYS 550 HA CYS 550 3.790 -6.815 -3.346 219 HG CYS 550 HG CYS 550 2.241 -8.302 -4.108 220 HB2 CYS 550 1HB CYS 550 1.807 -5.732 -4.612 221 HB3 CYS 550 2HB CYS 550 2.882 -5.659 -6.012 222 H MET 551 H MET 551 5.690 -7.887 -3.734 223 HA MET 551 HA MET 551 7.869 -6.869 -5.229 224 HB2 MET 551 1HB MET 551 7.105 -9.748 -4.528 225 HB3 MET 551 2HB MET 551 8.638 -9.273 -5.280 226 HG2 MET 551 1HG MET 551 8.852 -7.616 -3.348 227 HG3 MET 551 2HG MET 551 7.628 -8.584 -2.521 228 HE1 MET 551 3HE MET 551 9.264 -9.128 -0.510 229 HE2 MET 551 1HE MET 551 10.966 -9.616 -0.730 230 HE3 MET 551 2HE MET 551 10.415 -8.029 -1.284 231 H ASP 552 H ASP 552 5.197 -8.900 -6.204 232 HA ASP 552 HA ASP 552 6.082 -9.774 -8.713 233 HB2 ASP 552 1HB ASP 552 4.103 -10.687 -7.707 234 HB3 ASP 552 2HB ASP 552 3.268 -9.141 -7.858 235 H VAL 553 H VAL 553 5.037 -6.486 -7.890 236 HA VAL 553 HA VAL 553 4.566 -5.839 -10.728 237 HB VAL 553 HB VAL 553 4.203 -4.101 -8.256 238 HG11 VAL 553 1HG1 VAL 553 4.491 -2.784 -10.337 239 HG12 VAL 553 2HG1 VAL 553 3.291 -3.786 -11.166 240 HG13 VAL 553 3HG1 VAL 553 2.801 -2.742 -9.824 241 HG21 VAL 553 3HG2 VAL 553 2.653 -6.046 -8.232 242 HG22 VAL 553 1HG2 VAL 553 1.783 -4.563 -8.630 243 HG23 VAL 553 2HG2 VAL 553 2.204 -5.723 -9.911 244 H ARG 554 H ARG 554 6.552 -6.184 -11.513 245 HA ARG 554 HA ARG 554 8.964 -5.059 -10.599 246 HE ARG 554 HE ARG 554 8.854 -9.981 -13.457 247 HB2 ARG 554 1HB ARG 554 8.166 -5.692 -13.462 248 HB3 ARG 554 2HB ARG 554 9.818 -5.339 -12.909 249 HG2 ARG 554 1HG ARG 554 9.663 -7.249 -11.306 250 HG3 ARG 554 2HG ARG 554 8.073 -7.647 -11.956 251 HD2 ARG 554 1HD ARG 554 9.162 -7.901 -14.226 252 HD3 ARG 554 2HD ARG 554 10.737 -7.769 -13.429 253 HH11 ARG 554 2HH2 ARG 554 11.634 -8.624 -11.643 254 HH12 ARG 554 1HH2 ARG 554 11.766 -9.983 -10.588 255 HH21 ARG 554 2HH1 ARG 554 9.260 -11.890 -12.164 256 HH22 ARG 554 1HH1 ARG 554 10.486 -11.857 -10.926 257 H ALA 555 H ALA 555 6.422 -3.588 -12.590 258 HA ALA 555 HA ALA 555 7.765 -1.237 -13.359 259 HB1 ALA 555 1HB ALA 555 5.625 -1.964 -14.300 260 HB2 ALA 555 2HB ALA 555 4.812 -1.676 -12.742 261 HB3 ALA 555 3HB ALA 555 5.488 -0.314 -13.664 262 H ILE 556 H ILE 556 6.573 -2.078 -10.147 263 HA ILE 556 HA ILE 556 6.859 0.752 -9.227 264 HB ILE 556 HB ILE 556 5.646 -1.722 -7.935 265 HG12 ILE 556 1HG1 ILE 556 4.462 0.980 -8.761 266 HG13 ILE 556 2HG1 ILE 556 4.315 -0.501 -9.700 267 HG21 ILE 556 1HG2 ILE 556 5.077 -0.268 -6.017 268 HG22 ILE 556 2HG2 ILE 556 6.815 -0.415 -6.195 269 HG23 ILE 556 3HG2 ILE 556 5.998 1.072 -6.737 270 HD11 ILE 556 3HD1 ILE 556 2.275 -0.270 -8.554 271 HD12 ILE 556 1HD1 ILE 556 3.148 -1.558 -7.700 272 HD13 ILE 556 2HD1 ILE 556 3.063 0.083 -7.010 273 H MET 557 H MET 557 8.077 -2.582 -8.723 274 HA MET 557 HA MET 557 10.059 -2.141 -6.816 275 HB2 MET 557 1HB MET 557 10.052 -3.919 -9.273 276 HB3 MET 557 2HB MET 557 11.265 -4.025 -8.027 277 HG2 MET 557 1HG MET 557 8.516 -4.102 -6.920 278 HG3 MET 557 2HG MET 557 8.839 -5.378 -8.073 279 HE1 MET 557 3HE MET 557 11.225 -3.549 -5.387 280 HE2 MET 557 1HE MET 557 9.627 -3.822 -4.651 281 HE3 MET 557 2HE MET 557 11.046 -4.728 -4.071 282 H ALA 558 H ALA 558 10.388 -1.681 -10.393 283 HA ALA 558 HA ALA 558 13.090 -0.869 -10.340 284 HB1 ALA 558 1HB ALA 558 10.916 -0.037 -12.307 285 HB2 ALA 558 2HB ALA 558 12.672 -0.064 -12.594 286 HB3 ALA 558 3HB ALA 558 11.794 -1.578 -12.352 287 H THR 559 H THR 559 10.102 1.113 -10.090 288 HA THR 559 HA THR 559 11.337 3.703 -10.035 289 HB THR 559 HB THR 559 8.705 2.411 -9.290 290 HG1 THR 559 1HG THR 559 9.286 3.282 -11.373 291 HG21 THR 559 3HG2 THR 559 7.723 4.529 -8.503 292 HG22 THR 559 1HG2 THR 559 8.879 3.857 -7.360 293 HG23 THR 559 2HG2 THR 559 9.352 5.229 -8.386 294 H ILE 560 H ILE 560 10.532 1.437 -7.376 295 HA ILE 560 HA ILE 560 11.581 3.211 -5.376 296 HB ILE 560 HB ILE 560 11.041 0.201 -5.394 297 HG12 ILE 560 1HG1 ILE 560 9.416 2.555 -4.286 298 HG13 ILE 560 2HG1 ILE 560 9.066 1.718 -5.790 299 HG21 ILE 560 1HG2 ILE 560 12.697 0.893 -3.577 300 HG22 ILE 560 2HG2 ILE 560 11.422 1.925 -2.896 301 HG23 ILE 560 3HG2 ILE 560 11.215 0.170 -3.025 302 HD11 ILE 560 3HD1 ILE 560 8.814 0.653 -3.003 303 HD12 ILE 560 1HD1 ILE 560 7.592 0.747 -4.274 304 HD13 ILE 560 2HD1 ILE 560 8.906 -0.438 -4.415 305 H GLN 561 H GLN 561 13.022 0.241 -6.919 306 HA GLN 561 HA GLN 561 15.416 0.464 -5.414 307 HB2 GLN 561 1HB GLN 561 14.699 -1.021 -7.971 308 HB3 GLN 561 2HB GLN 561 16.292 -1.153 -7.196 309 HG2 GLN 561 1HG GLN 561 15.293 -1.842 -5.100 310 HG3 GLN 561 2HG GLN 561 13.659 -1.711 -5.754 311 HE21 GLN 561 1HE2 GLN 561 12.792 -3.503 -6.718 312 HE22 GLN 561 2HE2 GLN 561 13.690 -4.894 -7.285 313 H ARG 562 H ARG 562 14.488 2.208 -8.214 314 HA ARG 562 HA ARG 562 17.156 3.153 -8.911 315 HE ARG 562 HE ARG 562 15.650 4.192 -13.646 316 HB2 ARG 562 1HB ARG 562 14.367 4.291 -9.267 317 HB3 ARG 562 2HB ARG 562 15.796 5.263 -9.639 318 HG2 ARG 562 1HG ARG 562 16.565 3.745 -11.301 319 HG3 ARG 562 2HG ARG 562 15.401 2.490 -10.837 320 HD2 ARG 562 1HD ARG 562 13.528 3.837 -11.577 321 HD3 ARG 562 2HD ARG 562 14.574 5.238 -11.828 322 HH11 ARG 562 2HH2 ARG 562 12.504 2.640 -12.789 323 HH12 ARG 562 1HH2 ARG 562 12.452 1.826 -14.330 324 HH21 ARG 562 2HH1 ARG 562 15.515 2.821 -15.530 325 HH22 ARG 562 1HH1 ARG 562 14.048 1.956 -15.812 326 H LYS 563 H LYS 563 14.599 4.519 -6.775 327 HA LYS 563 HA LYS 563 16.490 6.533 -5.774 328 HB2 LYS 563 1HB LYS 563 13.900 6.688 -6.291 329 HB3 LYS 563 2HB LYS 563 13.684 5.960 -4.728 330 HG2 LYS 563 1HG LYS 563 15.523 8.322 -4.694 331 HG3 LYS 563 2HG LYS 563 13.901 8.679 -5.309 332 HD2 LYS 563 1HD LYS 563 12.959 7.537 -3.260 333 HD3 LYS 563 2HD LYS 563 14.585 7.525 -2.568 334 HE2 LYS 563 1HE LYS 563 13.008 9.984 -3.488 335 HE3 LYS 563 2HE LYS 563 13.071 9.386 -1.830 336 HZ1 LYS 563 3HZ LYS 563 14.554 11.162 -2.100 337 HZ2 LYS 563 1HZ LYS 563 15.413 9.794 -1.792 338 HZ3 LYS 563 2HZ LYS 563 15.402 10.437 -3.306 339 H TYR 564 H TYR 564 15.643 3.372 -4.732 340 HA TYR 564 HA TYR 564 17.029 3.819 -2.143 341 HD1 TYR 564 2HD TYR 564 13.111 3.888 -3.418 342 HD2 TYR 564 1HD TYR 564 14.972 4.108 0.475 343 HE1 TYR 564 2HE TYR 564 11.500 5.637 -2.752 344 HE2 TYR 564 1HE TYR 564 13.327 5.804 1.148 345 HH TYR 564 HH TYR 564 11.153 7.409 -1.143 346 HB2 TYR 564 1HB TYR 564 14.560 2.088 -2.597 347 HB3 TYR 564 2HB TYR 564 15.445 2.235 -1.101 348 H LYS 565 H LYS 565 18.894 3.049 -3.637 349 HA LYS 565 HA LYS 565 18.715 0.185 -4.259 350 HB2 LYS 565 1HB LYS 565 19.289 2.001 -5.929 351 HB3 LYS 565 2HB LYS 565 20.706 2.408 -4.971 352 HG2 LYS 565 1HG LYS 565 21.818 0.532 -5.461 353 HG3 LYS 565 2HG LYS 565 20.379 -0.437 -5.882 354 HD2 LYS 565 1HD LYS 565 20.115 0.968 -7.942 355 HD3 LYS 565 2HD LYS 565 21.667 1.752 -7.588 356 HE2 LYS 565 1HE LYS 565 21.240 -1.257 -7.918 357 HE3 LYS 565 2HE LYS 565 21.809 -0.194 -9.201 358 HZ1 LYS 565 3HZ LYS 565 23.304 -0.359 -6.686 359 HZ2 LYS 565 1HZ LYS 565 23.503 -1.467 -7.912 360 HZ3 LYS 565 2HZ LYS 565 23.790 0.141 -8.175 361 H GLY 566 H GLY 566 19.908 1.903 -1.542 362 HA2 GLY 566 1HA GLY 566 22.321 0.344 -1.162 363 HA3 GLY 566 2HA GLY 566 21.419 1.157 0.110 364 H ILE 567 H ILE 567 18.891 -0.023 -0.438 365 HA ILE 567 HA ILE 567 19.046 -2.269 1.285 366 HB ILE 567 HB ILE 567 17.439 -0.661 1.540 367 HG12 ILE 567 1HG1 ILE 567 16.670 -3.161 1.728 368 HG13 ILE 567 2HG1 ILE 567 15.682 -1.773 2.074 369 HG21 ILE 567 1HG2 ILE 567 17.162 0.423 -0.603 370 HG22 ILE 567 2HG2 ILE 567 16.382 -1.001 -1.285 371 HG23 ILE 567 3HG2 ILE 567 15.580 -0.093 0.012 372 HD11 ILE 567 3HD1 ILE 567 14.552 -3.591 0.678 373 HD12 ILE 567 1HD1 ILE 567 14.456 -1.961 0.007 374 HD13 ILE 567 2HD1 ILE 567 15.657 -3.096 -0.649 375 H LYS 568 H LYS 568 17.902 -4.292 0.948 376 HA LYS 568 HA LYS 568 18.262 -5.506 -1.747 377 HB2 LYS 568 1HB LYS 568 18.737 -6.645 1.066 378 HB3 LYS 568 2HB LYS 568 18.449 -7.644 -0.335 379 HG2 LYS 568 1HG LYS 568 20.646 -7.702 -0.588 380 HG3 LYS 568 2HG LYS 568 20.497 -6.113 -1.326 381 HD2 LYS 568 1HD LYS 568 21.213 -6.703 1.591 382 HD3 LYS 568 2HD LYS 568 22.339 -6.313 0.297 383 HE2 LYS 568 1HE LYS 568 20.989 -4.137 -0.011 384 HE3 LYS 568 2HE LYS 568 20.263 -4.506 1.571 385 HZ1 LYS 568 3HZ LYS 568 22.464 -4.426 2.520 386 HZ2 LYS 568 1HZ LYS 568 23.141 -4.144 1.026 387 HZ3 LYS 568 2HZ LYS 568 22.160 -3.028 1.710 388 H ILE 569 H ILE 569 16.334 -6.765 -2.408 389 HA ILE 569 HA ILE 569 13.939 -5.870 -1.011 390 HB ILE 569 HB ILE 569 14.404 -7.665 -3.430 391 HG12 ILE 569 1HG1 ILE 569 15.223 -5.511 -4.001 392 HG13 ILE 569 2HG1 ILE 569 13.607 -5.605 -4.657 393 HG21 ILE 569 1HG2 ILE 569 11.824 -6.449 -2.367 394 HG22 ILE 569 2HG2 ILE 569 12.025 -7.163 -3.988 395 HG23 ILE 569 3HG2 ILE 569 12.246 -8.175 -2.567 396 HD11 ILE 569 3HD1 ILE 569 14.458 -4.089 -2.154 397 HD12 ILE 569 1HD1 ILE 569 13.900 -3.405 -3.692 398 HD13 ILE 569 2HD1 ILE 569 12.774 -4.295 -2.661 399 H GLN 570 H GLN 570 12.891 -6.858 0.557 400 HA GLN 570 HA GLN 570 13.623 -9.599 1.410 401 HB2 GLN 570 1HB GLN 570 13.652 -6.987 2.921 402 HB3 GLN 570 2HB GLN 570 13.532 -8.519 3.772 403 HG2 GLN 570 1HG GLN 570 15.663 -9.132 3.355 404 HG3 GLN 570 2HG GLN 570 15.745 -8.345 1.799 405 HE21 GLN 570 1HE2 GLN 570 15.392 -5.686 2.347 406 HE22 GLN 570 2HE2 GLN 570 16.581 -5.056 3.423 407 H GLU 571 H GLU 571 11.843 -10.819 1.939 408 HA GLU 571 HA GLU 571 9.238 -9.712 1.465 409 HB2 GLU 571 1HB GLU 571 10.604 -12.372 1.987 410 HB3 GLU 571 2HB GLU 571 8.894 -12.217 2.313 411 HG2 GLU 571 1HG GLU 571 8.425 -11.521 0.025 412 HG3 GLU 571 2HG GLU 571 10.150 -11.741 -0.362 413 H GLY 572 H GLY 572 9.417 -8.113 3.264 414 HA2 GLY 572 1HA GLY 572 8.055 -8.724 5.632 415 HA3 GLY 572 2HA GLY 572 9.772 -9.048 5.954 416 H ILE 573 H ILE 573 9.328 -7.243 7.560 417 HA ILE 573 HA ILE 573 8.917 -4.564 6.634 418 HB ILE 573 HB ILE 573 9.983 -5.828 9.180 419 HG12 ILE 573 1HG1 ILE 573 7.539 -5.997 8.686 420 HG13 ILE 573 2HG1 ILE 573 7.915 -5.180 10.185 421 HG21 ILE 573 1HG2 ILE 573 9.837 -3.596 10.290 422 HG22 ILE 573 2HG2 ILE 573 11.174 -3.752 9.141 423 HG23 ILE 573 3HG2 ILE 573 9.710 -2.855 8.676 424 HD11 ILE 573 3HD1 ILE 573 7.368 -3.011 9.266 425 HD12 ILE 573 1HD1 ILE 573 7.232 -3.671 7.620 426 HD13 ILE 573 2HD1 ILE 573 6.060 -4.130 8.855 427 H VAL 574 H VAL 574 10.220 -3.116 5.827 428 HA VAL 574 HA VAL 574 13.152 -3.459 6.104 429 HB VAL 574 HB VAL 574 11.635 -2.689 3.606 430 HG11 VAL 574 1HG1 VAL 574 13.436 -1.019 3.940 431 HG12 VAL 574 2HG1 VAL 574 14.613 -2.351 3.988 432 HG13 VAL 574 3HG1 VAL 574 13.637 -2.023 2.526 433 HG21 VAL 574 3HG2 VAL 574 13.784 -4.775 4.216 434 HG22 VAL 574 1HG2 VAL 574 12.087 -5.118 3.896 435 HG23 VAL 574 2HG2 VAL 574 13.121 -4.474 2.610 436 H ASP 575 H ASP 575 13.944 -1.808 7.113 437 HA ASP 575 HA ASP 575 12.600 0.859 7.263 438 HB2 ASP 575 1HB ASP 575 12.788 0.077 9.474 439 HB3 ASP 575 2HB ASP 575 14.324 -0.740 9.170 440 H TYR 576 H TYR 576 13.393 1.595 5.274 441 HA TYR 576 HA TYR 576 16.224 2.273 5.293 442 HD1 TYR 576 1HD TYR 576 18.653 1.025 4.229 443 HD2 TYR 576 2HD TYR 576 15.779 2.016 1.185 444 HE1 TYR 576 1HE TYR 576 20.451 2.013 2.860 445 HE2 TYR 576 2HE TYR 576 17.589 3.077 -0.173 446 HH TYR 576 HH TYR 576 20.952 3.341 0.979 447 HB2 TYR 576 1HB TYR 576 16.351 0.069 4.212 448 HB3 TYR 576 2HB TYR 576 15.167 0.570 3.006 449 H GLY 577 H GLY 577 15.362 4.321 5.529 450 HA2 GLY 577 1HA GLY 577 15.064 6.434 4.494 451 HA3 GLY 577 2HA GLY 577 14.610 5.649 2.989 452 H VAL 578 H VAL 578 12.629 4.101 3.327 453 HA VAL 578 HA VAL 578 10.479 5.523 4.808 454 HB VAL 578 HB VAL 578 10.567 4.271 2.058 455 HG11 VAL 578 1HG1 VAL 578 8.029 5.073 3.549 456 HG12 VAL 578 2HG1 VAL 578 8.154 4.559 1.844 457 HG13 VAL 578 3HG1 VAL 578 8.499 3.413 3.123 458 HG21 VAL 578 3HG2 VAL 578 11.168 6.691 2.335 459 HG22 VAL 578 1HG2 VAL 578 9.746 6.429 1.341 460 HG23 VAL 578 2HG2 VAL 578 9.567 6.979 3.036 461 H ARG 579 H ARG 579 9.039 4.217 5.784 462 HA ARG 579 HA ARG 579 10.002 1.639 6.728 463 HE ARG 579 HE ARG 579 6.818 3.603 10.552 464 HB2 ARG 579 1HB ARG 579 7.556 3.380 7.300 465 HB3 ARG 579 2HB ARG 579 7.840 1.826 8.115 466 HG2 ARG 579 1HG ARG 579 9.819 2.601 9.183 467 HG3 ARG 579 2HG ARG 579 10.014 3.962 8.091 468 HD2 ARG 579 1HD ARG 579 9.305 4.991 10.023 469 HD3 ARG 579 2HD ARG 579 7.881 4.949 8.996 470 HH11 ARG 579 2HH2 ARG 579 10.332 3.414 11.161 471 HH12 ARG 579 1HH2 ARG 579 10.136 2.742 12.743 472 HH21 ARG 579 2HH1 ARG 579 6.568 2.730 12.596 473 HH22 ARG 579 1HH1 ARG 579 7.937 2.213 13.537 474 H PHE 580 H PHE 580 9.854 0.058 5.213 475 HA PHE 580 HA PHE 580 7.518 0.082 3.363 476 HD1 PHE 580 2HD PHE 580 7.709 1.062 1.404 477 HD2 PHE 580 1HD PHE 580 11.928 0.461 2.104 478 HE1 PHE 580 2HE PHE 580 8.201 2.729 -0.267 479 HE2 PHE 580 1HE PHE 580 12.427 2.216 0.421 480 HZ PHE 580 HZ PHE 580 10.587 3.368 -0.773 481 HB2 PHE 580 1HB PHE 580 10.370 -0.953 3.213 482 HB3 PHE 580 2HB PHE 580 9.152 -1.410 2.041 483 H PHE 581 H PHE 581 6.623 -1.983 2.729 484 HA PHE 581 HA PHE 581 7.383 -4.328 4.300 485 HD1 PHE 581 1HD PHE 581 6.938 -5.506 6.188 486 HD2 PHE 581 2HD PHE 581 3.051 -5.447 4.340 487 HE1 PHE 581 1HE PHE 581 6.522 -7.801 7.024 488 HE2 PHE 581 2HE PHE 581 2.633 -7.745 5.258 489 HZ PHE 581 HZ PHE 581 4.388 -8.941 6.499 490 HB2 PHE 581 1HB PHE 581 5.516 -3.311 5.573 491 HB3 PHE 581 2HB PHE 581 4.466 -3.510 4.190 492 H PHE 582 H PHE 582 8.311 -5.071 2.293 493 HA PHE 582 HA PHE 582 6.756 -5.317 -0.108 494 HD1 PHE 582 2HD PHE 582 8.579 -4.814 -2.201 495 HD2 PHE 582 1HD PHE 582 10.814 -5.400 1.427 496 HE1 PHE 582 2HE PHE 582 9.998 -2.816 -2.728 497 HE2 PHE 582 1HE PHE 582 12.260 -3.453 0.843 498 HZ PHE 582 HZ PHE 582 11.821 -2.166 -1.226 499 HB2 PHE 582 1HB PHE 582 9.115 -6.981 0.781 500 HB3 PHE 582 2HB PHE 582 8.438 -6.931 -0.832 501 H TYR 583 H TYR 583 5.570 -7.114 -0.870 502 HA TYR 583 HA TYR 583 5.347 -9.541 0.785 503 HD1 TYR 583 2HD TYR 583 1.792 -9.266 -1.355 504 HD2 TYR 583 1HD TYR 583 3.191 -5.713 0.616 505 HE1 TYR 583 2HE TYR 583 0.446 -7.927 -2.923 506 HE2 TYR 583 1HE TYR 583 1.750 -4.346 -0.842 507 HH TYR 583 HH TYR 583 0.534 -4.326 -2.794 508 HB2 TYR 583 1HB TYR 583 2.911 -9.345 0.863 509 HB3 TYR 583 2HB TYR 583 3.625 -7.894 1.558 510 H THR 584 H THR 584 3.679 -11.066 -0.485 511 HA THR 584 HA THR 584 4.442 -10.875 -3.370 512 HB THR 584 HB THR 584 4.385 -13.350 -3.397 513 HG1 THR 584 1HG THR 584 4.686 -13.340 -0.588 514 HG21 THR 584 3HG2 THR 584 6.591 -13.698 -2.364 515 HG22 THR 584 1HG2 THR 584 6.538 -12.195 -3.297 516 HG23 THR 584 2HG2 THR 584 6.461 -12.133 -1.531 517 H SER 585 H SER 585 2.900 -11.661 -4.947 518 HA SER 585 HA SER 585 0.279 -10.724 -4.363 519 HG SER 585 HG SER 585 1.480 -12.751 -7.688 520 HB2 SER 585 1HB SER 585 -0.203 -11.763 -6.642 521 HB3 SER 585 2HB SER 585 1.142 -10.618 -6.605 522 H LYS 586 H LYS 586 1.750 -13.930 -4.131 523 HA LYS 586 HA LYS 586 -0.711 -15.459 -3.975 524 HB2 LYS 586 1HB LYS 586 2.096 -16.073 -3.067 525 HB3 LYS 586 2HB LYS 586 0.771 -17.210 -3.005 526 HG2 LYS 586 1HG LYS 586 1.866 -15.972 -5.561 527 HG3 LYS 586 2HG LYS 586 2.220 -17.563 -4.916 528 HD2 LYS 586 1HD LYS 586 0.597 -18.189 -6.401 529 HD3 LYS 586 2HD LYS 586 -0.390 -17.910 -4.974 530 HE2 LYS 586 1HE LYS 586 -1.575 -16.790 -6.663 531 HE3 LYS 586 2HE LYS 586 -0.696 -15.492 -5.858 532 HZ1 LYS 586 3HZ LYS 586 -0.361 -15.103 -8.043 533 HZ2 LYS 586 1HZ LYS 586 1.051 -15.890 -7.667 534 HZ3 LYS 586 2HZ LYS 586 -0.154 -16.690 -8.459 535 H GLU 587 H GLU 587 1.087 -13.564 -1.585 536 HA GLU 587 HA GLU 587 0.283 -15.061 0.668 537 HB2 GLU 587 1HB GLU 587 2.115 -13.242 0.461 538 HB3 GLU 587 2HB GLU 587 0.806 -12.061 0.610 539 HG2 GLU 587 1HG GLU 587 1.176 -12.265 2.838 540 HG3 GLU 587 2HG GLU 587 0.221 -13.667 2.742 541 HA PRO 588 HA PRO 588 -4.042 -14.125 0.358 542 HB2 PRO 588 1HB PRO 588 -4.411 -14.362 3.306 543 HB3 PRO 588 2HB PRO 588 -5.107 -15.358 2.014 544 HG2 PRO 588 1HG PRO 588 -3.130 -16.306 3.664 545 HG3 PRO 588 2HG PRO 588 -3.232 -16.744 1.934 546 HD2 PRO 588 1HD PRO 588 -1.583 -14.592 3.228 547 HD3 PRO 588 2HD PRO 588 -0.987 -15.817 2.088 548 H VAL 589 H VAL 589 -5.014 -12.113 0.202 549 HA VAL 589 HA VAL 589 -4.124 -9.769 1.364 550 HB VAL 589 HB VAL 589 -7.007 -10.483 0.684 551 HG11 VAL 589 1HG1 VAL 589 -5.686 -7.725 0.937 552 HG12 VAL 589 2HG1 VAL 589 -7.353 -8.052 0.395 553 HG13 VAL 589 3HG1 VAL 589 -6.872 -8.409 2.052 554 HG21 VAL 589 3HG2 VAL 589 -5.333 -10.701 -1.197 555 HG22 VAL 589 1HG2 VAL 589 -6.551 -9.480 -1.476 556 HG23 VAL 589 2HG2 VAL 589 -4.907 -9.004 -0.967 557 H ALA 590 H ALA 590 -6.385 -12.119 2.784 558 HA ALA 590 HA ALA 590 -7.084 -10.870 5.153 559 HB1 ALA 590 1HB ALA 590 -7.413 -13.138 6.044 560 HB2 ALA 590 2HB ALA 590 -8.014 -13.026 4.384 561 HB3 ALA 590 3HB ALA 590 -6.461 -13.830 4.715 562 H SER 591 H SER 591 -4.128 -13.021 4.727 563 HA SER 591 HA SER 591 -3.179 -12.476 7.376 564 HG SER 591 HG SER 591 -0.092 -13.869 6.425 565 HB2 SER 591 1HB SER 591 -2.514 -14.424 5.879 566 HB3 SER 591 2HB SER 591 -1.519 -13.279 4.962 567 H ILE 592 H ILE 592 -2.326 -11.054 4.137 568 HA ILE 592 HA ILE 592 -0.289 -9.477 5.118 569 HB ILE 592 HB ILE 592 -1.367 -10.392 2.730 570 HG12 ILE 592 1HG1 ILE 592 0.984 -10.216 3.430 571 HG13 ILE 592 2HG1 ILE 592 0.701 -9.766 1.749 572 HG21 ILE 592 1HG2 ILE 592 -1.322 -7.422 2.361 573 HG22 ILE 592 2HG2 ILE 592 -1.445 -8.668 1.113 574 HG23 ILE 592 3HG2 ILE 592 -2.756 -8.451 2.319 575 HD11 ILE 592 3HD1 ILE 592 0.792 -7.744 4.001 576 HD12 ILE 592 1HD1 ILE 592 2.248 -8.293 3.153 577 HD13 ILE 592 2HD1 ILE 592 0.968 -7.441 2.255 578 H ILE 593 H ILE 593 -3.697 -8.859 5.025 579 HA ILE 593 HA ILE 593 -3.394 -6.068 5.968 580 HB ILE 593 HB ILE 593 -5.749 -8.005 5.577 581 HG12 ILE 593 1HG1 ILE 593 -4.919 -5.316 4.367 582 HG13 ILE 593 2HG1 ILE 593 -4.842 -6.885 3.582 583 HG21 ILE 593 1HG2 ILE 593 -5.942 -5.199 6.748 584 HG22 ILE 593 2HG2 ILE 593 -7.316 -6.245 6.341 585 HG23 ILE 593 3HG2 ILE 593 -6.223 -6.690 7.647 586 HD11 ILE 593 3HD1 ILE 593 -6.753 -5.771 2.692 587 HD12 ILE 593 1HD1 ILE 593 -7.386 -7.009 3.804 588 HD13 ILE 593 2HD1 ILE 593 -7.333 -5.309 4.295 589 H THR 594 H THR 594 -4.430 -9.201 7.671 590 HA THR 594 HA THR 594 -4.404 -8.276 10.209 591 HB THR 594 HB THR 594 -3.359 -10.910 9.136 592 HG1 THR 594 1HG THR 594 -5.580 -11.357 10.139 593 HG21 THR 594 3HG2 THR 594 -4.232 -10.289 11.990 594 HG22 THR 594 1HG2 THR 594 -3.762 -11.873 11.336 595 HG23 THR 594 2HG2 THR 594 -2.565 -10.614 11.481 596 H LYS 595 H LYS 595 -1.347 -8.858 8.358 597 HA LYS 595 HA LYS 595 0.440 -8.407 10.551 598 HB2 LYS 595 1HB LYS 595 0.609 -8.169 7.535 599 HB3 LYS 595 2HB LYS 595 1.769 -7.302 8.503 600 HG2 LYS 595 1HG LYS 595 2.935 -9.217 8.220 601 HG3 LYS 595 2HG LYS 595 2.161 -9.551 9.761 602 HD2 LYS 595 1HD LYS 595 0.354 -10.785 8.438 603 HD3 LYS 595 2HD LYS 595 1.374 -10.598 7.005 604 HE2 LYS 595 1HE LYS 595 2.042 -12.045 9.597 605 HE3 LYS 595 2HE LYS 595 1.665 -12.796 8.051 606 HZ1 LYS 595 3HZ LYS 595 3.734 -11.829 7.167 607 HZ2 LYS 595 1HZ LYS 595 4.093 -11.219 8.679 608 HZ3 LYS 595 2HZ LYS 595 3.999 -12.824 8.429 609 H LEU 596 H LEU 596 -0.858 -5.965 8.203 610 HA LEU 596 HA LEU 596 0.228 -3.687 9.405 611 HG LEU 596 HG LEU 596 -0.169 -2.498 7.070 612 HB2 LEU 596 1HB LEU 596 -2.339 -4.260 7.858 613 HB3 LEU 596 2HB LEU 596 -1.878 -2.650 8.381 614 HD11 LEU 596 1HD1 LEU 596 0.159 -5.407 6.494 615 HD12 LEU 596 2HD1 LEU 596 1.042 -4.100 5.672 616 HD13 LEU 596 3HD1 LEU 596 1.228 -4.335 7.415 617 HD21 LEU 596 3HD2 LEU 596 -2.094 -4.167 5.438 618 HD22 LEU 596 1HD2 LEU 596 -2.224 -2.424 5.797 619 HD23 LEU 596 2HD2 LEU 596 -0.932 -3.015 4.751 620 H ASN 597 H ASN 597 -2.689 -5.434 10.083 621 HA ASN 597 HA ASN 597 -3.819 -3.629 11.987 622 HB2 ASN 597 1HB ASN 597 -4.179 -6.652 11.912 623 HB3 ASN 597 2HB ASN 597 -5.227 -5.507 12.728 624 HD21 ASN 597 1HD2 ASN 597 -6.557 -7.107 11.069 625 HD22 ASN 597 2HD2 ASN 597 -6.635 -6.487 9.449 626 H SER 598 H SER 598 -1.357 -6.193 12.437 627 HA SER 598 HA SER 598 -1.406 -6.067 15.319 628 HG SER 598 HG SER 598 2.063 -6.965 14.261 629 HB2 SER 598 1HB SER 598 0.327 -7.568 15.337 630 HB3 SER 598 2HB SER 598 -0.467 -7.941 13.805 631 H LEU 599 H LEU 599 0.778 -4.842 12.843 632 HA LEU 599 HA LEU 599 2.457 -3.207 14.364 633 HG LEU 599 HG LEU 599 2.647 -4.966 11.916 634 HB2 LEU 599 1HB LEU 599 1.413 -2.787 11.528 635 HB3 LEU 599 2HB LEU 599 2.785 -1.921 12.213 636 HD11 LEU 599 1HD1 LEU 599 4.053 -2.813 10.241 637 HD12 LEU 599 2HD1 LEU 599 4.229 -4.568 10.067 638 HD13 LEU 599 3HD1 LEU 599 2.665 -3.797 9.735 639 HD21 LEU 599 3HD2 LEU 599 5.163 -4.748 12.219 640 HD22 LEU 599 1HD2 LEU 599 4.918 -3.057 12.661 641 HD23 LEU 599 2HD2 LEU 599 4.215 -4.349 13.668 642 H ASN 600 H ASN 600 -0.643 -2.353 12.864 643 HA ASN 600 HA ASN 600 -2.263 -0.910 13.469 644 HB2 ASN 600 1HB ASN 600 -1.646 -1.797 15.801 645 HB3 ASN 600 2HB ASN 600 -0.738 -0.302 16.015 646 HD21 ASN 600 1HD2 ASN 600 -1.913 1.010 17.338 647 HD22 ASN 600 2HD2 ASN 600 -3.654 1.136 17.375 648 H GLU 601 H GLU 601 0.571 -0.118 12.426 649 HA GLU 601 HA GLU 601 0.711 2.676 12.748 650 HB2 GLU 601 1HB GLU 601 1.900 0.694 10.780 651 HB3 GLU 601 2HB GLU 601 2.259 2.413 10.672 652 HG2 GLU 601 1HG GLU 601 2.612 1.083 13.357 653 HG3 GLU 601 2HG GLU 601 3.732 0.677 12.081 654 HA PRO 602 HA PRO 602 -1.994 3.504 9.106 655 HB2 PRO 602 1HB PRO 602 -1.455 6.175 8.704 656 HB3 PRO 602 2HB PRO 602 -2.296 5.658 10.207 657 HG2 PRO 602 1HG PRO 602 0.648 6.216 9.872 658 HG3 PRO 602 2HG PRO 602 -0.464 6.844 11.124 659 HD2 PRO 602 1HD PRO 602 1.160 4.639 11.474 660 HD3 PRO 602 2HD PRO 602 -0.443 4.785 12.261 661 H LEU 603 H LEU 603 -1.948 4.007 7.021 662 HA LEU 603 HA LEU 603 0.655 3.459 5.730 663 HG LEU 603 HG LEU 603 -2.264 0.785 5.736 664 HB2 LEU 603 1HB LEU 603 -2.104 2.684 4.747 665 HB3 LEU 603 2HB LEU 603 -0.612 2.186 4.103 666 HD11 LEU 603 1HD1 LEU 603 -0.589 -0.105 4.147 667 HD12 LEU 603 2HD1 LEU 603 0.733 0.450 5.215 668 HD13 LEU 603 3HD1 LEU 603 -0.317 -0.873 5.716 669 HD21 LEU 603 3HD2 LEU 603 -1.204 0.020 7.689 670 HD22 LEU 603 1HD2 LEU 603 -0.066 1.369 7.628 671 HD23 LEU 603 2HD2 LEU 603 -1.841 1.637 7.774 672 H VAL 604 H VAL 604 0.638 3.903 3.367 673 HA VAL 604 HA VAL 604 -1.513 5.433 2.217 674 HB VAL 604 HB VAL 604 -0.263 7.330 2.887 675 HG11 VAL 604 1HG1 VAL 604 2.140 7.708 2.529 676 HG12 VAL 604 2HG1 VAL 604 1.839 6.365 3.636 677 HG13 VAL 604 3HG1 VAL 604 2.322 6.036 1.963 678 HG21 VAL 604 3HG2 VAL 604 -0.885 7.481 0.547 679 HG22 VAL 604 1HG2 VAL 604 0.646 8.327 0.847 680 HG23 VAL 604 2HG2 VAL 604 0.660 6.733 0.071 681 H THR 605 H THR 605 -1.898 4.089 0.414 682 HA THR 605 HA THR 605 0.189 3.112 -1.244 683 HB THR 605 HB THR 605 0.552 1.529 0.685 684 HG1 THR 605 1HG THR 605 1.036 0.912 -1.373 685 HG21 THR 605 3HG2 THR 605 -1.430 1.151 1.771 686 HG22 THR 605 1HG2 THR 605 -2.361 0.848 0.289 687 HG23 THR 605 2HG2 THR 605 -1.205 -0.347 0.874 688 H MET 606 H MET 606 -0.911 1.424 -2.945 689 HA MET 606 HA MET 606 -3.599 2.393 -3.627 690 HB2 MET 606 1HB MET 606 -2.375 0.177 -5.174 691 HB3 MET 606 2HB MET 606 -3.285 1.578 -5.699 692 HG2 MET 606 1HG MET 606 -1.333 2.102 -6.628 693 HG3 MET 606 2HG MET 606 -1.096 2.913 -5.112 694 HE1 MET 606 3HE MET 606 0.007 0.075 -7.521 695 HE2 MET 606 1HE MET 606 0.889 -1.057 -6.462 696 HE3 MET 606 2HE MET 606 -0.856 -0.866 -6.296 697 HA PRO 607 HA PRO 607 -5.642 -0.881 -1.770 698 HB2 PRO 607 1HB PRO 607 -7.296 -2.205 -3.556 699 HB3 PRO 607 2HB PRO 607 -7.610 -0.578 -2.876 700 HG2 PRO 607 1HG PRO 607 -6.710 -1.341 -5.565 701 HG3 PRO 607 2HG PRO 607 -7.520 0.141 -5.072 702 HD2 PRO 607 1HD PRO 607 -4.731 -0.250 -5.575 703 HD3 PRO 607 2HD PRO 607 -5.440 1.225 -4.888 704 H ILE 608 H ILE 608 -4.879 -2.642 -0.857 705 HA ILE 608 HA ILE 608 -2.797 -4.156 -2.049 706 HB ILE 608 HB ILE 608 -4.452 -4.451 0.489 707 HG12 ILE 608 1HG1 ILE 608 -2.896 -2.508 0.323 708 HG13 ILE 608 2HG1 ILE 608 -2.547 -3.602 1.657 709 HG21 ILE 608 1HG2 ILE 608 -3.743 -6.723 0.066 710 HG22 ILE 608 2HG2 ILE 608 -2.077 -6.199 -0.236 711 HG23 ILE 608 3HG2 ILE 608 -2.801 -6.025 1.378 712 HD11 ILE 608 3HD1 ILE 608 -1.024 -3.724 -0.974 713 HD12 ILE 608 1HD1 ILE 608 -0.537 -2.753 0.403 714 HD13 ILE 608 2HD1 ILE 608 -0.618 -4.511 0.567 715 H GLY 609 H GLY 609 -6.177 -5.165 -1.295 716 HA2 GLY 609 1HA GLY 609 -5.705 -7.672 -2.802 717 HA3 GLY 609 2HA GLY 609 -7.122 -7.280 -1.778 718 H TYR 610 H TYR 610 -5.425 -6.358 -4.720 719 HA TYR 610 HA TYR 610 -8.007 -5.863 -6.143 720 HD1 TYR 610 1HD TYR 610 -9.167 -4.723 -7.419 721 HD2 TYR 610 2HD TYR 610 -5.727 -2.078 -7.646 722 HE1 TYR 610 1HE TYR 610 -10.221 -3.531 -9.185 723 HE2 TYR 610 2HE TYR 610 -6.846 -0.819 -9.446 724 HH TYR 610 HH TYR 610 -9.948 -1.779 -10.857 725 HB2 TYR 610 1HB TYR 610 -7.038 -3.716 -5.297 726 HB3 TYR 610 2HB TYR 610 -5.595 -4.022 -6.259 727 H VAL 611 H VAL 611 -6.488 -5.180 -8.506 728 HA VAL 611 HA VAL 611 -5.839 -7.145 -10.043 729 HB VAL 611 HB VAL 611 -3.939 -5.812 -10.960 730 HG11 VAL 611 1HG1 VAL 611 -6.307 -5.209 -11.502 731 HG12 VAL 611 2HG1 VAL 611 -6.321 -4.076 -10.137 732 HG13 VAL 611 3HG1 VAL 611 -5.252 -3.797 -11.496 733 HG21 VAL 611 3HG2 VAL 611 -3.535 -3.504 -10.016 734 HG22 VAL 611 1HG2 VAL 611 -4.259 -4.070 -8.499 735 HG23 VAL 611 2HG2 VAL 611 -2.776 -4.826 -9.180 736 H THR 612 H THR 612 -3.357 -6.096 -7.710 737 HA THR 612 HA THR 612 -1.461 -8.097 -8.199 738 HB THR 612 HB THR 612 -0.597 -7.391 -5.903 739 HG1 THR 612 1HG THR 612 -1.716 -5.612 -4.971 740 HG21 THR 612 3HG2 THR 612 -0.051 -6.120 -8.072 741 HG22 THR 612 1HG2 THR 612 -1.287 -4.958 -7.599 742 HG23 THR 612 2HG2 THR 612 0.122 -5.208 -6.565 743 H HIS 613 H HIS 613 -4.443 -8.469 -6.526 744 HA HIS 613 HA HIS 613 -3.576 -11.116 -5.602 745 HD1 HIS 613 1HD HIS 613 -3.056 -7.887 -3.309 746 HD2 HIS 613 2HD HIS 613 -3.465 -12.073 -2.676 747 HE1 HIS 613 1HE HIS 613 -1.234 -8.599 -1.618 748 HE2 HIS 613 2HE HIS 613 -1.513 -11.196 -1.323 749 HB2 HIS 613 1HB HIS 613 -5.384 -9.118 -4.279 750 HB3 HIS 613 2HB HIS 613 -5.480 -10.824 -3.891 751 H GLY 614 H GLY 614 -5.012 -9.900 -8.182 752 HA2 GLY 614 1HA GLY 614 -6.697 -10.492 -9.589 753 HA3 GLY 614 2HA GLY 614 -6.704 -12.074 -8.788 754 H PHE 615 H PHE 615 -7.515 -8.822 -7.408 755 HA PHE 615 HA PHE 615 -10.222 -9.866 -6.602 756 HD1 PHE 615 2HD PHE 615 -8.542 -11.213 -5.155 757 HD2 PHE 615 1HD PHE 615 -9.794 -7.827 -2.818 758 HE1 PHE 615 2HE PHE 615 -8.435 -12.580 -3.091 759 HE2 PHE 615 1HE PHE 615 -9.651 -9.133 -0.772 760 HZ PHE 615 HZ PHE 615 -8.972 -11.559 -0.878 761 HB2 PHE 615 1HB PHE 615 -8.191 -8.046 -5.399 762 HB3 PHE 615 2HB PHE 615 -9.883 -7.698 -5.118 763 H ASN 616 H ASN 616 -11.775 -8.139 -6.512 764 HA ASN 616 HA ASN 616 -11.679 -6.274 -8.849 765 HB2 ASN 616 1HB ASN 616 -14.024 -6.866 -6.938 766 HB3 ASN 616 2HB ASN 616 -14.112 -6.061 -8.515 767 HD21 ASN 616 1HD2 ASN 616 -15.290 -8.791 -7.287 768 HD22 ASN 616 2HD2 ASN 616 -14.787 -9.951 -8.469 769 H LEU 617 H LEU 617 -12.663 -4.067 -8.345 770 HA LEU 617 HA LEU 617 -11.248 -2.912 -6.123 771 HG LEU 617 HG LEU 617 -12.675 -0.272 -5.793 772 HB2 LEU 617 1HB LEU 617 -11.894 -1.793 -8.323 773 HB3 LEU 617 2HB LEU 617 -13.533 -1.684 -7.694 774 HD11 LEU 617 1HD1 LEU 617 -10.372 0.716 -6.038 775 HD12 LEU 617 2HD1 LEU 617 -10.334 -0.998 -5.644 776 HD13 LEU 617 3HD1 LEU 617 -10.024 -0.469 -7.313 777 HD21 LEU 617 3HD2 LEU 617 -12.260 1.737 -7.179 778 HD22 LEU 617 1HD2 LEU 617 -11.937 0.703 -8.592 779 HD23 LEU 617 2HD2 LEU 617 -13.558 0.752 -7.870 780 H GLU 618 H GLU 618 -14.532 -4.167 -6.539 781 HA GLU 618 HA GLU 618 -15.656 -3.251 -4.080 782 HB2 GLU 618 1HB GLU 618 -16.915 -4.112 -6.024 783 HB3 GLU 618 2HB GLU 618 -16.305 -5.739 -5.734 784 HG2 GLU 618 1HG GLU 618 -17.767 -4.187 -3.550 785 HG3 GLU 618 2HG GLU 618 -18.686 -4.919 -4.845 786 H GLU 619 H GLU 619 -14.192 -6.461 -4.927 787 HA GLU 619 HA GLU 619 -14.154 -7.436 -2.290 788 HB2 GLU 619 1HB GLU 619 -12.375 -8.061 -4.678 789 HB3 GLU 619 2HB GLU 619 -12.144 -8.801 -3.095 790 HG2 GLU 619 1HG GLU 619 -14.828 -9.240 -3.443 791 HG3 GLU 619 2HG GLU 619 -14.244 -9.347 -5.105 792 H ALA 620 H ALA 620 -11.664 -5.501 -4.006 793 HA ALA 620 HA ALA 620 -9.826 -5.408 -1.923 794 HB1 ALA 620 1HB ALA 620 -9.661 -4.368 -4.331 795 HB2 ALA 620 2HB ALA 620 -10.322 -2.901 -3.565 796 HB3 ALA 620 3HB ALA 620 -8.793 -3.660 -2.991 797 H ALA 621 H ALA 621 -12.525 -3.050 -2.448 798 HA ALA 621 HA ALA 621 -12.087 -1.514 -0.100 799 HB1 ALA 621 1HB ALA 621 -13.530 -0.740 -1.869 800 HB2 ALA 621 2HB ALA 621 -14.572 -2.180 -1.733 801 HB3 ALA 621 3HB ALA 621 -14.533 -0.988 -0.421 802 H ARG 622 H ARG 622 -14.232 -4.376 -0.625 803 HA ARG 622 HA ARG 622 -15.292 -4.317 1.963 804 HE ARG 622 HE ARG 622 -14.503 -9.961 0.260 805 HB2 ARG 622 1HB ARG 622 -16.417 -6.180 1.435 806 HB3 ARG 622 2HB ARG 622 -15.931 -5.714 -0.201 807 HG2 ARG 622 1HG ARG 622 -14.082 -7.431 -0.022 808 HG3 ARG 622 2HG ARG 622 -14.733 -7.887 1.551 809 HD2 ARG 622 1HD ARG 622 -16.936 -8.323 0.371 810 HD3 ARG 622 2HD ARG 622 -16.056 -8.197 -1.166 811 HH11 ARG 622 2HH2 ARG 622 -17.965 -9.987 -0.597 812 HH12 ARG 622 1HH2 ARG 622 -18.188 -11.627 -0.080 813 HH21 ARG 622 2HH1 ARG 622 -14.791 -12.035 0.916 814 HH22 ARG 622 1HH1 ARG 622 -16.324 -12.870 0.777 815 H CYS 623 H CYS 623 -12.438 -5.905 0.729 816 HA CYS 623 HA CYS 623 -11.790 -7.244 3.223 817 HG CYS 623 HG CYS 623 -9.127 -7.867 3.428 818 HB2 CYS 623 1HB CYS 623 -11.044 -7.788 0.744 819 HB3 CYS 623 2HB CYS 623 -9.729 -6.660 1.075 820 H MET 624 H MET 624 -10.764 -4.161 1.689 821 HA MET 624 HA MET 624 -8.563 -3.686 3.482 822 HB2 MET 624 1HB MET 624 -10.054 -1.950 1.492 823 HB3 MET 624 2HB MET 624 -8.737 -1.335 2.498 824 HG2 MET 624 1HG MET 624 -7.295 -3.245 1.526 825 HG3 MET 624 2HG MET 624 -8.576 -3.415 0.321 826 HE1 MET 624 3HE MET 624 -5.470 -0.058 0.509 827 HE2 MET 624 1HE MET 624 -6.475 -0.393 1.924 828 HE3 MET 624 2HE MET 624 -5.376 -1.645 1.305 829 H ARG 625 H ARG 625 -12.005 -2.626 3.446 830 HA ARG 625 HA ARG 625 -11.809 -0.919 5.686 831 HE ARG 625 HE ARG 625 -15.335 -5.109 4.410 832 HB2 ARG 625 1HB ARG 625 -14.162 -1.176 5.907 833 HB3 ARG 625 2HB ARG 625 -13.662 -0.939 4.200 834 HG2 ARG 625 1HG ARG 625 -14.793 -2.749 3.627 835 HG3 ARG 625 2HG ARG 625 -13.614 -3.621 4.618 836 HD2 ARG 625 1HD ARG 625 -15.207 -3.309 6.580 837 HD3 ARG 625 2HD ARG 625 -16.399 -2.707 5.394 838 HH11 ARG 625 2HH2 ARG 625 -17.500 -4.197 7.146 839 HH12 ARG 625 1HH2 ARG 625 -18.088 -5.831 7.267 840 HH21 ARG 625 2HH1 ARG 625 -16.406 -7.143 4.532 841 HH22 ARG 625 1HH1 ARG 625 -17.433 -7.438 5.906 842 H SER 626 H SER 626 -11.700 -4.316 5.549 843 HA SER 626 HA SER 626 -12.053 -4.726 8.446 844 HG SER 626 HG SER 626 -13.483 -6.328 8.079 845 HB2 SER 626 1HB SER 626 -12.234 -6.349 6.091 846 HB3 SER 626 2HB SER 626 -10.881 -6.991 7.025 847 H LEU 627 H LEU 627 -9.514 -3.362 6.794 848 HA LEU 627 HA LEU 627 -7.328 -4.364 8.494 849 HG LEU 627 HG LEU 627 -5.917 -1.749 8.761 850 HB2 LEU 627 1HB LEU 627 -7.053 -3.083 6.300 851 HB3 LEU 627 2HB LEU 627 -7.931 -1.740 7.017 852 HD11 LEU 627 1HD1 LEU 627 -4.698 -2.888 6.199 853 HD12 LEU 627 2HD1 LEU 627 -3.807 -2.138 7.536 854 HD13 LEU 627 3HD1 LEU 627 -4.672 -3.650 7.794 855 HD21 LEU 627 3HD2 LEU 627 -6.627 0.103 7.179 856 HD22 LEU 627 1HD2 LEU 627 -4.894 0.016 7.483 857 HD23 LEU 627 2HD2 LEU 627 -5.546 -0.608 5.958 858 H LYS 628 H LYS 628 -6.820 -3.478 10.428 859 HA LYS 628 HA LYS 628 -8.912 -1.897 11.840 860 HB2 LYS 628 1HB LYS 628 -7.075 -4.149 12.737 861 HB3 LYS 628 2HB LYS 628 -8.007 -3.175 13.855 862 HG2 LYS 628 1HG LYS 628 -9.227 -4.868 11.609 863 HG3 LYS 628 2HG LYS 628 -9.104 -5.307 13.309 864 HD2 LYS 628 1HD LYS 628 -10.311 -3.025 13.733 865 HD3 LYS 628 2HD LYS 628 -10.832 -3.133 12.054 866 HE2 LYS 628 1HE LYS 628 -11.241 -5.388 14.061 867 HE3 LYS 628 2HE LYS 628 -12.341 -3.999 13.990 868 HZ1 LYS 628 3HZ LYS 628 -13.022 -4.565 11.882 869 HZ2 LYS 628 1HZ LYS 628 -11.855 -5.759 11.688 870 HZ3 LYS 628 2HZ LYS 628 -13.047 -5.955 12.776 871 H ALA 629 H ALA 629 -6.481 -0.980 10.284 872 HA ALA 629 HA ALA 629 -5.321 0.756 12.352 873 HB1 ALA 629 1HB ALA 629 -3.657 -0.995 11.589 874 HB2 ALA 629 2HB ALA 629 -3.844 -0.377 9.928 875 HB3 ALA 629 3HB ALA 629 -3.187 0.661 11.204 876 HA PRO 630 HA PRO 630 -6.758 3.840 9.398 877 HB2 PRO 630 1HB PRO 630 -4.354 5.491 9.594 878 HB3 PRO 630 2HB PRO 630 -5.959 5.809 10.305 879 HG2 PRO 630 1HG PRO 630 -3.698 5.181 11.813 880 HG3 PRO 630 2HG PRO 630 -5.359 4.804 12.323 881 HD2 PRO 630 1HD PRO 630 -3.363 2.972 11.029 882 HD3 PRO 630 2HD PRO 630 -4.484 2.686 12.382 883 H ALA 631 H ALA 631 -6.134 4.876 7.151 884 HA ALA 631 HA ALA 631 -3.586 4.232 6.013 885 HB1 ALA 631 1HB ALA 631 -4.807 2.806 4.186 886 HB2 ALA 631 2HB ALA 631 -4.347 2.044 5.714 887 HB3 ALA 631 3HB ALA 631 -6.032 2.557 5.415 888 H VAL 632 H VAL 632 -3.524 4.888 3.727 889 HA VAL 632 HA VAL 632 -5.653 6.704 2.837 890 HB VAL 632 HB VAL 632 -2.728 7.359 2.402 891 HG11 VAL 632 1HG1 VAL 632 -5.245 9.003 1.951 892 HG12 VAL 632 2HG1 VAL 632 -3.598 9.359 1.387 893 HG13 VAL 632 3HG1 VAL 632 -4.497 8.002 0.699 894 HG21 VAL 632 3HG2 VAL 632 -3.162 7.846 4.757 895 HG22 VAL 632 1HG2 VAL 632 -3.105 9.356 3.813 896 HG23 VAL 632 2HG2 VAL 632 -4.670 8.688 4.314 897 H VAL 633 H VAL 633 -6.480 4.972 1.660 898 HA VAL 633 HA VAL 633 -4.877 3.446 -0.130 899 HB VAL 633 HB VAL 633 -7.876 3.840 -0.374 900 HG11 VAL 633 1HG1 VAL 633 -6.798 2.481 -2.121 901 HG12 VAL 633 2HG1 VAL 633 -6.002 1.486 -0.905 902 HG13 VAL 633 3HG1 VAL 633 -7.769 1.434 -1.072 903 HG21 VAL 633 3HG2 VAL 633 -6.455 2.051 1.639 904 HG22 VAL 633 1HG2 VAL 633 -7.573 3.392 2.001 905 HG23 VAL 633 2HG2 VAL 633 -8.183 1.949 1.207 906 H SER 634 H SER 634 -4.819 3.693 -2.596 907 HA SER 634 HA SER 634 -6.058 6.190 -3.574 908 HG SER 634 HG SER 634 -3.276 7.255 -5.465 909 HB2 SER 634 1HB SER 634 -3.558 6.379 -3.362 910 HB3 SER 634 2HB SER 634 -3.440 5.120 -4.613 911 H VAL 635 H VAL 635 -5.905 6.016 -6.119 912 HA VAL 635 HA VAL 635 -6.713 3.422 -7.224 913 HB VAL 635 HB VAL 635 -8.795 4.570 -8.180 914 HG11 VAL 635 1HG1 VAL 635 -8.940 2.798 -6.430 915 HG12 VAL 635 2HG1 VAL 635 -8.983 4.090 -5.203 916 HG13 VAL 635 3HG1 VAL 635 -10.270 3.964 -6.407 917 HG21 VAL 635 3HG2 VAL 635 -9.773 6.399 -7.034 918 HG22 VAL 635 1HG2 VAL 635 -8.589 6.353 -5.730 919 HG23 VAL 635 2HG2 VAL 635 -8.113 6.901 -7.356 920 H SER 636 H SER 636 -7.489 4.023 -9.621 921 HA SER 636 HA SER 636 -5.175 5.080 -10.905 922 HG SER 636 HG SER 636 -6.975 2.601 -10.790 923 HB2 SER 636 1HB SER 636 -7.854 4.275 -12.093 924 HB3 SER 636 2HB SER 636 -6.301 4.375 -12.944 925 H SER 637 H SER 637 -8.321 6.607 -10.141 926 HA SER 637 HA SER 637 -7.340 9.150 -11.136 927 HG SER 637 HG SER 637 -8.505 7.751 -14.031 928 HB2 SER 637 1HB SER 637 -10.104 8.640 -12.069 929 HB3 SER 637 2HB SER 637 -8.787 9.469 -12.890 930 HA PRO 638 HA PRO 638 -10.075 10.645 -7.818 931 HB2 PRO 638 1HB PRO 638 -11.199 12.561 -9.813 932 HB3 PRO 638 2HB PRO 638 -10.607 12.879 -8.162 933 HG2 PRO 638 1HG PRO 638 -9.107 13.528 -10.332 934 HG3 PRO 638 2HG PRO 638 -8.343 12.818 -8.870 935 HD2 PRO 638 1HD PRO 638 -9.085 11.446 -11.459 936 HD3 PRO 638 2HD PRO 638 -7.613 11.261 -10.462 937 H ASP 639 H ASP 639 -11.435 10.218 -11.104 938 HA ASP 639 HA ASP 639 -14.106 9.804 -10.354 939 HB2 ASP 639 1HB ASP 639 -12.525 9.789 -12.769 940 HB3 ASP 639 2HB ASP 639 -13.545 8.358 -12.766 941 H ALA 640 H ALA 640 -11.530 7.676 -9.676 942 HA ALA 640 HA ALA 640 -13.413 5.363 -9.410 943 HB1 ALA 640 1HB ALA 640 -10.382 5.536 -9.416 944 HB2 ALA 640 2HB ALA 640 -11.303 4.071 -8.984 945 HB3 ALA 640 3HB ALA 640 -11.430 4.745 -10.613 946 H VAL 641 H VAL 641 -11.951 7.954 -7.615 947 HA VAL 641 HA VAL 641 -11.574 6.588 -5.119 948 HB VAL 641 HB VAL 641 -12.250 9.537 -5.609 949 HG11 VAL 641 1HG1 VAL 641 -11.030 8.095 -3.221 950 HG12 VAL 641 2HG1 VAL 641 -11.093 9.861 -3.405 951 HG13 VAL 641 3HG1 VAL 641 -12.596 8.953 -3.276 952 HG21 VAL 641 3HG2 VAL 641 -10.124 8.774 -6.751 953 HG22 VAL 641 1HG2 VAL 641 -9.865 9.966 -5.469 954 HG23 VAL 641 2HG2 VAL 641 -9.540 8.259 -5.164 955 H THR 642 H THR 642 -14.238 8.605 -6.412 956 HA THR 642 HA THR 642 -16.030 8.139 -4.361 957 HB THR 642 HB THR 642 -16.141 9.123 -7.172 958 HG1 THR 642 1HG THR 642 -16.661 10.910 -6.091 959 HG21 THR 642 3HG2 THR 642 -18.597 9.498 -7.092 960 HG22 THR 642 1HG2 THR 642 -18.159 7.804 -7.309 961 HG23 THR 642 2HG2 THR 642 -18.709 8.369 -5.719 962 H THR 643 H THR 643 -15.494 6.039 -7.259 963 HA THR 643 HA THR 643 -17.585 4.247 -6.676 964 HB THR 643 HB THR 643 -14.877 3.734 -7.979 965 HG1 THR 643 1HG THR 643 -17.281 4.406 -9.305 966 HG21 THR 643 3HG2 THR 643 -16.148 2.045 -9.313 967 HG22 THR 643 1HG2 THR 643 -16.029 1.653 -7.591 968 HG23 THR 643 2HG2 THR 643 -17.550 2.297 -8.245 969 H TYR 644 H TYR 644 -14.091 4.094 -5.579 970 HA TYR 644 HA TYR 644 -14.392 1.700 -4.087 971 HD1 TYR 644 1HD TYR 644 -12.415 3.820 -1.334 972 HD2 TYR 644 2HD TYR 644 -11.527 0.527 -3.916 973 HE1 TYR 644 1HE TYR 644 -11.251 2.652 0.560 974 HE2 TYR 644 2HE TYR 644 -10.224 -0.621 -2.076 975 HH TYR 644 HH TYR 644 -10.111 0.809 1.226 976 HB2 TYR 644 1HB TYR 644 -12.267 2.650 -4.815 977 HB3 TYR 644 2HB TYR 644 -12.502 4.047 -3.776 978 H ASN 645 H ASN 645 -14.968 5.120 -3.194 979 HA ASN 645 HA ASN 645 -15.523 4.699 -0.380 980 HB2 ASN 645 1HB ASN 645 -16.449 6.824 -2.358 981 HB3 ASN 645 2HB ASN 645 -17.014 6.756 -0.709 982 HD21 ASN 645 1HD2 ASN 645 -13.995 6.819 -2.581 983 HD22 ASN 645 2HD2 ASN 645 -13.180 7.910 -1.512 984 H GLY 646 H GLY 646 -17.434 4.759 -3.314 985 HA2 GLY 646 1HA GLY 646 -20.030 4.273 -2.429 986 HA3 GLY 646 2HA GLY 646 -19.352 3.656 -3.942 987 H TYR 647 H TYR 647 -17.346 1.941 -2.366 988 HA TYR 647 HA TYR 647 -19.188 -0.274 -1.681 989 HD1 TYR 647 2HD TYR 647 -19.276 -0.961 -3.812 990 HD2 TYR 647 1HD TYR 647 -14.979 -0.534 -3.774 991 HE1 TYR 647 2HE TYR 647 -19.261 -0.970 -6.269 992 HE2 TYR 647 1HE TYR 647 -14.969 -0.553 -6.243 993 HH TYR 647 HH TYR 647 -17.928 -0.367 -8.107 994 HB2 TYR 647 1HB TYR 647 -16.188 -0.230 -1.773 995 HB3 TYR 647 2HB TYR 647 -17.219 -1.670 -1.709 996 H LEU 648 H LEU 648 -16.844 1.943 -0.027 997 HA LEU 648 HA LEU 648 -16.917 0.643 2.530 998 HG LEU 648 HG LEU 648 -14.046 3.000 2.065 999 HB2 LEU 648 1HB LEU 648 -16.182 3.356 1.391 1000 HB3 LEU 648 2HB LEU 648 -16.370 3.202 3.108 1001 HD11 LEU 648 1HD1 LEU 648 -15.034 0.907 4.050 1002 HD12 LEU 648 2HD1 LEU 648 -13.323 1.346 3.802 1003 HD13 LEU 648 3HD1 LEU 648 -14.458 2.545 4.431 1004 HD21 LEU 648 3HD2 LEU 648 -13.213 0.808 1.450 1005 HD22 LEU 648 1HD2 LEU 648 -14.830 0.107 1.611 1006 HD23 LEU 648 2HD2 LEU 648 -14.488 1.306 0.344 1007 H THR 649 H THR 649 -18.928 3.075 0.867 1008 HA THR 649 HA THR 649 -20.953 2.838 3.046 1009 HB THR 649 HB THR 649 -21.836 5.014 2.104 1010 HG1 THR 649 1HG THR 649 -20.512 4.913 0.169 1011 HG21 THR 649 3HG2 THR 649 -20.195 6.297 3.414 1012 HG22 THR 649 1HG2 THR 649 -20.611 4.744 4.190 1013 HG23 THR 649 2HG2 THR 649 -19.063 4.907 3.329 1014 H SER 650 H SER 650 -21.044 0.766 1.886 1015 HA SER 650 HA SER 650 -23.245 1.017 -0.055 1016 HG SER 650 HG SER 650 -23.543 -0.945 -1.330 1017 HB2 SER 650 1HB SER 650 -21.207 -0.178 -0.914 1018 HB3 SER 650 2HB SER 650 -21.350 -1.355 0.405 1019 H SER 651 H SER 651 -23.540 1.472 2.736 1020 HA SER 651 HA SER 651 -24.902 -0.949 3.793 1021 HG SER 651 HG SER 651 -24.137 -1.267 6.189 1022 HB2 SER 651 1HB SER 651 -22.831 0.047 5.012 1023 HB3 SER 651 2HB SER 651 -23.855 1.433 5.355 Start of MODEL 4 1 H1 GLY -4 H GLY -4 -1.662 18.913 4.114 2 HA2 GLY -4 1HA GLY -4 -3.728 17.725 4.832 3 HA3 GLY -4 2HA GLY -4 -2.845 16.912 3.530 4 H SER -3 H SER -3 -4.321 16.374 6.509 5 HA SER -3 HA SER -3 -2.501 14.094 7.175 6 HG SER -3 HG SER -3 -3.653 16.864 9.868 7 HB2 SER -3 1HB SER -3 -2.812 14.715 9.520 8 HB3 SER -3 2HB SER -3 -2.082 16.020 8.573 9 H HIS -2 H HIS -2 -5.366 14.257 5.801 10 HA HIS -2 HA HIS -2 -6.934 12.714 7.722 11 HD1 HIS -2 1HD HIS -2 -9.789 11.775 4.380 12 HD2 HIS -2 2HD HIS -2 -9.342 13.375 8.277 13 HE1 HIS -2 1HE HIS -2 -11.938 11.191 5.666 14 HE2 HIS -2 2HE HIS -2 -11.687 12.166 8.020 15 HB2 HIS -2 1HB HIS -2 -7.783 14.298 5.829 16 HB3 HIS -2 2HB HIS -2 -7.526 12.942 4.762 17 H MET -1 H MET -1 -7.982 10.565 6.549 18 HA MET -1 HA MET -1 -6.040 8.885 5.249 19 HB2 MET -1 1HB MET -1 -7.055 8.499 8.069 20 HB3 MET -1 2HB MET -1 -6.973 7.078 7.050 21 HG2 MET -1 1HG MET -1 -4.763 6.997 7.002 22 HG3 MET -1 2HG MET -1 -4.542 8.710 6.802 23 HE1 MET -1 3HE MET -1 -4.478 10.099 10.452 24 HE2 MET -1 1HE MET -1 -4.489 10.484 8.723 25 HE3 MET -1 2HE MET -1 -5.973 9.915 9.518 26 H GLY 527 H GLY 527 -7.306 6.736 4.729 27 HA2 GLY 527 1HA GLY 527 -9.209 5.803 3.763 28 HA3 GLY 527 2HA GLY 527 -10.094 7.333 3.902 29 H THR 528 H THR 528 -10.438 6.384 1.524 30 HA THR 528 HA THR 528 -8.393 6.158 -0.225 31 HB THR 528 HB THR 528 -11.231 6.847 -1.029 32 HG1 THR 528 1HG THR 528 -11.943 5.225 -0.093 33 HG21 THR 528 3HG2 THR 528 -9.559 6.289 -2.854 34 HG22 THR 528 1HG2 THR 528 -9.295 4.718 -2.075 35 HG23 THR 528 2HG2 THR 528 -10.888 5.128 -2.736 36 H VAL 529 H VAL 529 -7.355 7.415 -1.733 37 HA VAL 529 HA VAL 529 -8.307 10.144 -2.352 38 HB VAL 529 HB VAL 529 -6.043 11.013 -2.180 39 HG11 VAL 529 1HG1 VAL 529 -6.703 9.597 0.429 40 HG12 VAL 529 2HG1 VAL 529 -5.758 11.082 0.214 41 HG13 VAL 529 3HG1 VAL 529 -7.485 11.085 -0.136 42 HG21 VAL 529 3HG2 VAL 529 -4.239 9.660 -1.066 43 HG22 VAL 529 1HG2 VAL 529 -5.248 8.230 -1.232 44 HG23 VAL 529 2HG2 VAL 529 -4.663 9.074 -2.673 45 H SER 530 H SER 530 -6.591 10.944 -4.244 46 HA SER 530 HA SER 530 -6.385 8.793 -6.260 47 HG SER 530 HG SER 530 -7.528 12.146 -5.871 48 HB2 SER 530 1HB SER 530 -7.214 10.773 -7.830 49 HB3 SER 530 2HB SER 530 -8.300 9.679 -7.040 50 H TRP 531 H TRP 531 -4.312 9.499 -4.629 51 HA TRP 531 HA TRP 531 -2.543 11.488 -5.920 52 HD1 TRP 531 HD TRP 531 -3.905 12.564 -4.119 53 HE1 TRP 531 1HE TRP 531 -4.529 13.409 -1.794 54 HE3 TRP 531 3HE TRP 531 -0.628 9.783 -1.345 55 HZ2 TRP 531 2HZ TRP 531 -3.733 12.948 0.929 56 HZ3 TRP 531 3HZ TRP 531 -0.557 10.025 1.119 57 HH2 TRP 531 HH TRP 531 -2.125 11.599 2.265 58 HB2 TRP 531 1HB TRP 531 -1.933 9.388 -3.810 59 HB3 TRP 531 2HB TRP 531 -0.914 10.715 -4.291 60 H ASN 532 H ASN 532 -0.312 10.599 -6.433 61 HA ASN 532 HA ASN 532 -0.439 8.066 -8.009 62 HB2 ASN 532 1HB ASN 532 1.458 9.293 -9.376 63 HB3 ASN 532 2HB ASN 532 -0.227 9.548 -9.731 64 HD21 ASN 532 1HD2 ASN 532 2.643 11.154 -8.171 65 HD22 ASN 532 2HD2 ASN 532 1.855 12.714 -8.190 66 H LEU 533 H LEU 533 1.766 7.136 -8.280 67 HA LEU 533 HA LEU 533 2.741 6.410 -5.823 68 HG LEU 533 HG LEU 533 4.222 3.802 -7.890 69 HB2 LEU 533 1HB LEU 533 3.496 5.976 -8.615 70 HB3 LEU 533 2HB LEU 533 4.930 6.121 -7.650 71 HD11 LEU 533 1HD1 LEU 533 5.454 4.482 -5.853 72 HD12 LEU 533 2HD1 LEU 533 3.920 4.732 -5.000 73 HD13 LEU 533 3HD1 LEU 533 4.373 3.109 -5.561 74 HD21 LEU 533 3HD2 LEU 533 1.780 4.218 -8.034 75 HD22 LEU 533 1HD2 LEU 533 2.189 2.937 -6.860 76 HD23 LEU 533 2HD2 LEU 533 1.728 4.546 -6.300 77 H ARG 534 H ARG 534 4.074 8.961 -7.842 78 HA ARG 534 HA ARG 534 6.342 9.513 -6.193 79 HE ARG 534 HE ARG 534 8.768 11.011 -8.910 80 HB2 ARG 534 1HB ARG 534 4.808 11.532 -7.885 81 HB3 ARG 534 2HB ARG 534 6.433 11.734 -7.242 82 HG2 ARG 534 1HG ARG 534 7.072 9.655 -8.644 83 HG3 ARG 534 2HG ARG 534 5.500 9.866 -9.437 84 HD2 ARG 534 1HD ARG 534 6.827 11.100 -10.857 85 HD3 ARG 534 2HD ARG 534 6.352 12.384 -9.733 86 HH11 ARG 534 2HH2 ARG 534 7.654 13.655 -11.002 87 HH12 ARG 534 1HH2 ARG 534 9.243 14.212 -11.369 88 HH21 ARG 534 2HH1 ARG 534 10.890 11.834 -9.305 89 HH22 ARG 534 1HH1 ARG 534 11.063 13.249 -10.269 90 H GLU 535 H GLU 535 2.954 10.769 -5.962 91 HA GLU 535 HA GLU 535 3.492 12.725 -3.923 92 HB2 GLU 535 1HB GLU 535 1.104 11.519 -5.296 93 HB3 GLU 535 2HB GLU 535 0.852 12.170 -3.678 94 HG2 GLU 535 1HG GLU 535 2.405 13.982 -5.459 95 HG3 GLU 535 2HG GLU 535 0.798 13.600 -6.025 96 H MET 536 H MET 536 2.145 9.396 -3.952 97 HA MET 536 HA MET 536 1.886 9.004 -1.183 98 HB2 MET 536 1HB MET 536 2.896 7.003 -3.248 99 HB3 MET 536 2HB MET 536 2.391 6.619 -1.595 100 HG2 MET 536 1HG MET 536 0.125 7.364 -2.069 101 HG3 MET 536 2HG MET 536 0.583 7.771 -3.730 102 HE1 MET 536 3HE MET 536 -1.649 6.237 -3.796 103 HE2 MET 536 1HE MET 536 -1.651 4.456 -3.673 104 HE3 MET 536 2HE MET 536 -1.549 5.454 -2.200 105 H LEU 537 H LEU 537 4.856 8.364 -3.132 106 HA LEU 537 HA LEU 537 6.460 7.418 -1.025 107 HG LEU 537 HG LEU 537 9.209 8.023 -1.782 108 HB2 LEU 537 1HB LEU 537 6.846 7.523 -3.649 109 HB3 LEU 537 2HB LEU 537 7.611 9.069 -3.320 110 HD11 LEU 537 1HD1 LEU 537 8.017 5.943 -1.174 111 HD12 LEU 537 2HD1 LEU 537 8.010 5.427 -2.878 112 HD13 LEU 537 3HD1 LEU 537 9.527 5.550 -1.967 113 HD21 LEU 537 3HD2 LEU 537 10.545 7.133 -3.664 114 HD22 LEU 537 1HD2 LEU 537 9.065 6.951 -4.651 115 HD23 LEU 537 2HD2 LEU 537 9.647 8.559 -4.176 116 H ALA 538 H ALA 538 6.278 10.627 -2.456 117 HA ALA 538 HA ALA 538 7.972 12.047 -0.704 118 HB1 ALA 538 1HB ALA 538 6.683 14.061 -1.499 119 HB2 ALA 538 2HB ALA 538 7.212 12.994 -2.809 120 HB3 ALA 538 3HB ALA 538 5.515 12.976 -2.262 121 H HIS 539 H HIS 539 4.494 11.264 -0.366 122 HA HIS 539 HA HIS 539 4.030 12.872 1.934 123 HD1 HIS 539 1HD HIS 539 1.686 14.005 2.107 124 HD2 HIS 539 2HD HIS 539 0.914 10.010 3.307 125 HE1 HIS 539 1HE HIS 539 -0.107 14.151 3.867 126 HE2 HIS 539 2HE HIS 539 -0.658 11.763 4.630 127 HB2 HIS 539 1HB HIS 539 2.285 11.704 0.401 128 HB3 HIS 539 2HB HIS 539 2.582 10.253 1.329 129 H ALA 540 H ALA 540 4.784 9.352 1.679 130 HA ALA 540 HA ALA 540 5.038 8.900 4.543 131 HB1 ALA 540 1HB ALA 540 4.621 7.115 2.816 132 HB2 ALA 540 2HB ALA 540 6.232 7.422 2.132 133 HB3 ALA 540 3HB ALA 540 6.066 6.788 3.777 134 H GLU 541 H GLU 541 7.522 10.226 2.176 135 HA GLU 541 HA GLU 541 9.613 10.003 3.957 136 HB2 GLU 541 1HB GLU 541 9.210 10.473 1.288 137 HB3 GLU 541 2HB GLU 541 9.306 12.159 1.825 138 HG2 GLU 541 1HG GLU 541 11.340 11.263 3.157 139 HG3 GLU 541 2HG GLU 541 11.263 9.911 2.059 140 H GLU 542 H GLU 542 7.266 12.618 3.199 141 HA GLU 542 HA GLU 542 8.301 14.627 4.993 142 HB2 GLU 542 1HB GLU 542 6.968 15.042 2.973 143 HB3 GLU 542 2HB GLU 542 5.572 14.144 3.638 144 HG2 GLU 542 1HG GLU 542 5.230 15.787 5.347 145 HG3 GLU 542 2HG GLU 542 6.797 16.540 5.037 146 H THR 543 H THR 543 6.490 11.806 5.344 147 HA THR 543 HA THR 543 5.937 12.360 8.215 148 HB THR 543 HB THR 543 3.990 10.811 8.091 149 HG1 THR 543 1HG THR 543 4.409 11.032 5.303 150 HG21 THR 543 3HG2 THR 543 3.593 13.237 7.947 151 HG22 THR 543 1HG2 THR 543 3.764 13.181 6.177 152 HG23 THR 543 2HG2 THR 543 2.433 12.316 6.956 153 H ARG 544 H ARG 544 5.382 9.448 8.477 154 HA ARG 544 HA ARG 544 7.809 8.100 7.775 155 HE ARG 544 HE ARG 544 10.245 10.539 11.736 156 HB2 ARG 544 1HB ARG 544 7.030 8.673 10.660 157 HB3 ARG 544 2HB ARG 544 8.016 7.298 10.181 158 HG2 ARG 544 1HG ARG 544 9.552 8.755 10.782 159 HG3 ARG 544 2HG ARG 544 9.604 8.961 9.047 160 HD2 ARG 544 1HD ARG 544 9.357 11.181 9.329 161 HD3 ARG 544 2HD ARG 544 7.793 10.922 10.120 162 HH11 ARG 544 2HH2 ARG 544 8.077 13.120 10.775 163 HH12 ARG 544 1HH2 ARG 544 7.996 13.851 12.336 164 HH21 ARG 544 2HH1 ARG 544 10.280 11.478 13.701 165 HH22 ARG 544 1HH1 ARG 544 9.136 12.711 14.191 166 H LYS 545 H LYS 545 5.382 7.859 6.625 167 HA LYS 545 HA LYS 545 3.689 5.954 8.125 168 HB2 LYS 545 1HB LYS 545 3.369 7.316 5.428 169 HB3 LYS 545 2HB LYS 545 2.294 6.070 6.045 170 HG2 LYS 545 1HG LYS 545 1.947 7.422 8.139 171 HG3 LYS 545 2HG LYS 545 2.877 8.752 7.421 172 HD2 LYS 545 1HD LYS 545 1.235 9.037 5.653 173 HD3 LYS 545 2HD LYS 545 0.440 7.506 6.105 174 HE2 LYS 545 1HE LYS 545 0.132 8.574 8.444 175 HE3 LYS 545 2HE LYS 545 0.515 10.098 7.680 176 HZ1 LYS 545 3HZ LYS 545 -1.413 9.747 6.208 177 HZ2 LYS 545 1HZ LYS 545 -1.735 8.317 6.995 178 HZ3 LYS 545 2HZ LYS 545 -1.816 9.780 7.781 179 H LEU 546 H LEU 546 3.527 3.836 7.651 180 HA LEU 546 HA LEU 546 5.576 2.523 6.161 181 HG LEU 546 HG LEU 546 4.018 -0.176 5.742 182 HB2 LEU 546 1HB LEU 546 4.419 1.612 8.178 183 HB3 LEU 546 2HB LEU 546 2.923 1.486 7.253 184 HD11 LEU 546 1HD1 LEU 546 6.397 0.221 7.607 185 HD12 LEU 546 2HD1 LEU 546 6.246 -1.142 6.518 186 HD13 LEU 546 3HD1 LEU 546 6.351 0.472 5.842 187 HD21 LEU 546 3HD2 LEU 546 2.786 -0.913 7.782 188 HD22 LEU 546 1HD2 LEU 546 4.105 -2.019 7.353 189 HD23 LEU 546 2HD2 LEU 546 4.311 -0.875 8.690 190 H MET 547 H MET 547 5.663 2.001 4.055 191 HA MET 547 HA MET 547 3.224 2.261 2.351 192 HB2 MET 547 1HB MET 547 4.851 3.999 1.958 193 HB3 MET 547 2HB MET 547 6.156 2.820 1.769 194 HG2 MET 547 1HG MET 547 5.111 1.902 -0.242 195 HG3 MET 547 2HG MET 547 3.674 2.892 0.028 196 HE1 MET 547 3HE MET 547 4.012 3.577 -2.719 197 HE2 MET 547 1HE MET 547 3.189 4.582 -1.512 198 HE3 MET 547 2HE MET 547 4.342 5.316 -2.660 199 HA PRO 548 HA PRO 548 4.303 -2.173 1.987 200 HB2 PRO 548 1HB PRO 548 1.617 -2.357 0.726 201 HB3 PRO 548 2HB PRO 548 2.312 -3.326 2.047 202 HG2 PRO 548 1HG PRO 548 0.408 -1.252 2.345 203 HG3 PRO 548 2HG PRO 548 1.440 -1.910 3.626 204 HD2 PRO 548 1HD PRO 548 1.636 0.700 2.360 205 HD3 PRO 548 2HD PRO 548 2.465 0.075 3.793 206 H ILE 549 H ILE 549 4.797 -3.458 0.117 207 HA ILE 549 HA ILE 549 4.321 -2.256 -2.544 208 HB ILE 549 HB ILE 549 7.011 -3.380 -1.707 209 HG12 ILE 549 1HG1 ILE 549 7.657 -0.876 -2.249 210 HG13 ILE 549 2HG1 ILE 549 6.037 -0.536 -1.693 211 HG21 ILE 549 1HG2 ILE 549 7.758 -2.525 -3.887 212 HG22 ILE 549 2HG2 ILE 549 6.447 -3.670 -4.107 213 HG23 ILE 549 3HG2 ILE 549 6.115 -1.932 -4.228 214 HD11 ILE 549 3HD1 ILE 549 6.637 -1.767 0.422 215 HD12 ILE 549 1HD1 ILE 549 8.266 -2.003 -0.221 216 HD13 ILE 549 2HD1 ILE 549 7.653 -0.364 0.054 217 H CYS 550 H CYS 550 3.546 -3.823 -3.882 218 HA CYS 550 HA CYS 550 3.577 -6.641 -3.047 219 HG CYS 550 HG CYS 550 1.643 -7.697 -3.257 220 HB2 CYS 550 1HB CYS 550 1.603 -5.266 -4.200 221 HB3 CYS 550 2HB CYS 550 2.486 -5.639 -5.686 222 H MET 551 H MET 551 5.578 -7.576 -3.400 223 HA MET 551 HA MET 551 7.530 -6.832 -5.295 224 HB2 MET 551 1HB MET 551 6.886 -9.606 -4.224 225 HB3 MET 551 2HB MET 551 8.365 -9.148 -5.069 226 HG2 MET 551 1HG MET 551 8.512 -7.386 -3.138 227 HG3 MET 551 2HG MET 551 7.438 -8.493 -2.285 228 HE1 MET 551 3HE MET 551 10.943 -9.468 -0.651 229 HE2 MET 551 1HE MET 551 10.359 -7.860 -1.076 230 HE3 MET 551 2HE MET 551 9.250 -9.019 -0.338 231 H ASP 552 H ASP 552 4.638 -8.682 -5.694 232 HA ASP 552 HA ASP 552 5.015 -10.000 -8.125 233 HB2 ASP 552 1HB ASP 552 3.070 -10.030 -6.479 234 HB3 ASP 552 2HB ASP 552 2.432 -8.609 -7.312 235 H VAL 553 H VAL 553 4.632 -6.520 -7.580 236 HA VAL 553 HA VAL 553 4.258 -6.066 -10.491 237 HB VAL 553 HB VAL 553 3.899 -4.071 -8.242 238 HG11 VAL 553 1HG1 VAL 553 4.503 -3.073 -10.441 239 HG12 VAL 553 2HG1 VAL 553 3.223 -4.008 -11.235 240 HG13 VAL 553 3HG1 VAL 553 2.811 -2.742 -10.059 241 HG21 VAL 553 3HG2 VAL 553 1.464 -4.301 -8.806 242 HG22 VAL 553 1HG2 VAL 553 1.882 -5.678 -9.866 243 HG23 VAL 553 2HG2 VAL 553 2.141 -5.787 -8.120 244 H ARG 554 H ARG 554 6.250 -6.830 -10.924 245 HA ARG 554 HA ARG 554 8.697 -5.940 -9.944 246 HE ARG 554 HE ARG 554 5.754 -8.034 -14.787 247 HB2 ARG 554 1HB ARG 554 9.742 -6.589 -12.021 248 HB3 ARG 554 2HB ARG 554 8.588 -7.794 -11.427 249 HG2 ARG 554 1HG ARG 554 7.080 -6.144 -13.183 250 HG3 ARG 554 2HG ARG 554 8.656 -6.301 -13.954 251 HD2 ARG 554 1HD ARG 554 8.461 -8.761 -13.871 252 HD3 ARG 554 2HD ARG 554 6.981 -8.611 -12.917 253 HH11 ARG 554 2HH2 ARG 554 9.153 -8.324 -15.763 254 HH12 ARG 554 1HH2 ARG 554 8.867 -7.832 -17.382 255 HH21 ARG 554 2HH1 ARG 554 5.403 -7.388 -17.032 256 HH22 ARG 554 1HH1 ARG 554 6.769 -7.258 -18.088 257 H ALA 555 H ALA 555 6.533 -4.317 -12.136 258 HA ALA 555 HA ALA 555 8.224 -2.328 -13.168 259 HB1 ALA 555 1HB ALA 555 5.993 -2.777 -14.074 260 HB2 ALA 555 2HB ALA 555 5.228 -2.301 -12.543 261 HB3 ALA 555 3HB ALA 555 6.039 -1.088 -13.529 262 H ILE 556 H ILE 556 6.537 -2.515 -10.024 263 HA ILE 556 HA ILE 556 7.251 0.241 -9.273 264 HB ILE 556 HB ILE 556 5.844 -2.032 -7.799 265 HG12 ILE 556 1HG1 ILE 556 4.768 0.660 -8.815 266 HG13 ILE 556 2HG1 ILE 556 4.600 -0.857 -9.695 267 HG21 ILE 556 1HG2 ILE 556 7.062 -0.655 -6.171 268 HG22 ILE 556 2HG2 ILE 556 6.385 0.832 -6.864 269 HG23 ILE 556 3HG2 ILE 556 5.347 -0.340 -6.026 270 HD11 ILE 556 3HD1 ILE 556 3.326 -0.163 -7.032 271 HD12 ILE 556 1HD1 ILE 556 2.547 -0.548 -8.572 272 HD13 ILE 556 2HD1 ILE 556 3.384 -1.819 -7.684 273 H MET 557 H MET 557 8.277 -3.159 -8.635 274 HA MET 557 HA MET 557 10.179 -2.654 -6.657 275 HB2 MET 557 1HB MET 557 10.251 -4.697 -8.900 276 HB3 MET 557 2HB MET 557 11.390 -4.674 -7.580 277 HG2 MET 557 1HG MET 557 8.624 -4.532 -6.590 278 HG3 MET 557 2HG MET 557 8.872 -5.923 -7.619 279 HE1 MET 557 3HE MET 557 11.660 -4.267 -5.180 280 HE2 MET 557 1HE MET 557 10.030 -3.964 -4.525 281 HE3 MET 557 2HE MET 557 11.135 -5.076 -3.688 282 H ALA 558 H ALA 558 10.717 -2.485 -10.228 283 HA ALA 558 HA ALA 558 13.429 -1.611 -10.124 284 HB1 ALA 558 1HB ALA 558 12.379 -2.272 -12.233 285 HB2 ALA 558 2HB ALA 558 11.258 -0.886 -12.127 286 HB3 ALA 558 3HB ALA 558 12.984 -0.589 -12.337 287 H THR 559 H THR 559 10.439 0.339 -9.993 288 HA THR 559 HA THR 559 11.742 2.883 -10.004 289 HB THR 559 HB THR 559 9.014 1.748 -9.236 290 HG1 THR 559 1HG THR 559 10.189 2.363 -11.480 291 HG21 THR 559 3HG2 THR 559 9.182 3.655 -7.796 292 HG22 THR 559 1HG2 THR 559 9.827 4.658 -9.118 293 HG23 THR 559 2HG2 THR 559 8.139 4.069 -9.157 294 H ILE 560 H ILE 560 11.118 0.590 -7.328 295 HA ILE 560 HA ILE 560 11.879 2.659 -5.376 296 HB ILE 560 HB ILE 560 11.062 -0.252 -5.099 297 HG12 ILE 560 1HG1 ILE 560 9.687 2.442 -4.582 298 HG13 ILE 560 2HG1 ILE 560 9.335 1.380 -5.926 299 HG21 ILE 560 1HG2 ILE 560 10.921 0.163 -2.680 300 HG22 ILE 560 2HG2 ILE 560 12.578 0.458 -3.203 301 HG23 ILE 560 3HG2 ILE 560 11.483 1.822 -2.877 302 HD11 ILE 560 3HD1 ILE 560 8.710 0.908 -3.037 303 HD12 ILE 560 1HD1 ILE 560 7.622 0.998 -4.441 304 HD13 ILE 560 2HD1 ILE 560 8.697 -0.400 -4.268 305 H GLN 561 H GLN 561 13.271 -0.432 -6.673 306 HA GLN 561 HA GLN 561 15.721 -0.182 -5.247 307 HB2 GLN 561 1HB GLN 561 14.960 -1.702 -7.772 308 HB3 GLN 561 2HB GLN 561 16.559 -1.787 -7.010 309 HG2 GLN 561 1HG GLN 561 15.331 -2.393 -4.843 310 HG3 GLN 561 2HG GLN 561 13.917 -2.713 -5.776 311 HE21 GLN 561 1HE2 GLN 561 14.340 -4.433 -7.753 312 HE22 GLN 561 2HE2 GLN 561 15.400 -5.730 -7.252 313 H ARG 562 H ARG 562 14.604 1.578 -8.051 314 HA ARG 562 HA ARG 562 17.202 2.464 -8.924 315 HE ARG 562 HE ARG 562 12.205 6.548 -10.326 316 HB2 ARG 562 1HB ARG 562 16.228 3.921 -10.289 317 HB3 ARG 562 2HB ARG 562 14.830 2.899 -10.012 318 HG2 ARG 562 1HG ARG 562 13.932 4.575 -8.444 319 HG3 ARG 562 2HG ARG 562 15.358 5.561 -8.695 320 HD2 ARG 562 1HD ARG 562 14.830 5.905 -11.016 321 HD3 ARG 562 2HD ARG 562 13.459 4.782 -10.897 322 HH11 ARG 562 2HH2 ARG 562 15.457 7.487 -8.950 323 HH12 ARG 562 1HH2 ARG 562 14.806 8.959 -8.334 324 HH21 ARG 562 2HH1 ARG 562 11.504 8.510 -9.390 325 HH22 ARG 562 1HH1 ARG 562 12.587 9.538 -8.568 326 H LYS 563 H LYS 563 14.862 3.967 -6.728 327 HA LYS 563 HA LYS 563 16.687 6.095 -6.069 328 HB2 LYS 563 1HB LYS 563 14.101 6.024 -6.331 329 HB3 LYS 563 2HB LYS 563 14.033 5.443 -4.691 330 HG2 LYS 563 1HG LYS 563 15.519 8.007 -5.380 331 HG3 LYS 563 2HG LYS 563 13.767 7.984 -5.380 332 HD2 LYS 563 1HD LYS 563 14.607 6.800 -2.899 333 HD3 LYS 563 2HD LYS 563 15.560 8.257 -3.129 334 HE2 LYS 563 1HE LYS 563 12.489 8.188 -3.372 335 HE3 LYS 563 2HE LYS 563 13.361 8.541 -1.892 336 HZ1 LYS 563 3HZ LYS 563 13.555 10.221 -4.333 337 HZ2 LYS 563 1HZ LYS 563 12.716 10.529 -2.989 338 HZ3 LYS 563 2HZ LYS 563 14.318 10.478 -2.891 339 H TYR 564 H TYR 564 15.254 3.377 -4.238 340 HA TYR 564 HA TYR 564 17.196 3.683 -2.048 341 HD1 TYR 564 1HD TYR 564 13.161 3.438 -3.292 342 HD2 TYR 564 2HD TYR 564 15.221 4.513 0.351 343 HE1 TYR 564 1HE TYR 564 11.559 5.322 -2.943 344 HE2 TYR 564 2HE TYR 564 13.605 6.351 0.713 345 HH TYR 564 HH TYR 564 12.017 7.666 -0.334 346 HB2 TYR 564 1HB TYR 564 14.728 1.902 -2.206 347 HB3 TYR 564 2HB TYR 564 15.641 2.379 -0.772 348 H LYS 565 H LYS 565 19.004 2.827 -3.561 349 HA LYS 565 HA LYS 565 18.631 0.060 -4.464 350 HB2 LYS 565 1HB LYS 565 19.658 1.800 -5.930 351 HB3 LYS 565 2HB LYS 565 20.918 2.053 -4.710 352 HG2 LYS 565 1HG LYS 565 21.638 -0.243 -4.928 353 HG3 LYS 565 2HG LYS 565 20.370 -0.577 -6.123 354 HD2 LYS 565 1HD LYS 565 21.596 1.426 -7.377 355 HD3 LYS 565 2HD LYS 565 22.953 0.967 -6.330 356 HE2 LYS 565 1HE LYS 565 22.769 -1.389 -7.171 357 HE3 LYS 565 2HE LYS 565 21.430 -0.893 -8.220 358 HZ1 LYS 565 3HZ LYS 565 23.264 -0.770 -9.607 359 HZ2 LYS 565 1HZ LYS 565 23.127 0.788 -9.122 360 HZ3 LYS 565 2HZ LYS 565 24.266 -0.222 -8.445 361 H GLY 566 H GLY 566 20.287 1.907 -1.918 362 HA2 GLY 566 1HA GLY 566 22.272 -0.029 -1.352 363 HA3 GLY 566 2HA GLY 566 21.705 1.222 -0.228 364 H ILE 567 H ILE 567 18.893 0.216 -0.367 365 HA ILE 567 HA ILE 567 19.015 -1.798 1.705 366 HB ILE 567 HB ILE 567 17.298 -0.317 1.870 367 HG12 ILE 567 1HG1 ILE 567 16.703 -2.819 2.087 368 HG13 ILE 567 2HG1 ILE 567 15.544 -1.516 2.245 369 HG21 ILE 567 1HG2 ILE 567 17.063 0.727 -0.307 370 HG22 ILE 567 2HG2 ILE 567 16.399 -0.759 -0.999 371 HG23 ILE 567 3HG2 ILE 567 15.474 0.112 0.232 372 HD11 ILE 567 3HD1 ILE 567 15.895 -2.905 -0.442 373 HD12 ILE 567 1HD1 ILE 567 14.793 -3.530 0.809 374 HD13 ILE 567 2HD1 ILE 567 14.550 -1.914 0.132 375 H LYS 568 H LYS 568 18.556 -3.960 1.535 376 HA LYS 568 HA LYS 568 18.585 -5.195 -1.172 377 HB2 LYS 568 1HB LYS 568 19.018 -6.459 1.561 378 HB3 LYS 568 2HB LYS 568 19.224 -7.223 -0.011 379 HG2 LYS 568 1HG LYS 568 20.976 -5.022 1.186 380 HG3 LYS 568 2HG LYS 568 21.358 -6.727 1.015 381 HD2 LYS 568 1HD LYS 568 22.502 -5.864 -0.731 382 HD3 LYS 568 2HD LYS 568 21.016 -6.355 -1.546 383 HE2 LYS 568 1HE LYS 568 20.831 -3.609 -0.578 384 HE3 LYS 568 2HE LYS 568 22.325 -3.801 -1.472 385 HZ1 LYS 568 3HZ LYS 568 21.020 -4.584 -3.376 386 HZ2 LYS 568 1HZ LYS 568 19.628 -4.425 -2.555 387 HZ3 LYS 568 2HZ LYS 568 20.488 -3.093 -2.871 388 H ILE 569 H ILE 569 16.511 -5.987 -1.823 389 HA ILE 569 HA ILE 569 14.199 -5.350 -0.261 390 HB ILE 569 HB ILE 569 14.605 -7.330 -2.529 391 HG12 ILE 569 1HG1 ILE 569 15.230 -5.111 -3.297 392 HG13 ILE 569 2HG1 ILE 569 13.659 -5.513 -3.981 393 HG21 ILE 569 1HG2 ILE 569 12.586 -7.911 -1.473 394 HG22 ILE 569 2HG2 ILE 569 12.019 -6.228 -1.409 395 HG23 ILE 569 3HG2 ILE 569 12.176 -7.081 -2.964 396 HD11 ILE 569 3HD1 ILE 569 13.635 -3.205 -3.257 397 HD12 ILE 569 1HD1 ILE 569 12.565 -4.162 -2.209 398 HD13 ILE 569 2HD1 ILE 569 14.155 -3.667 -1.633 399 H GLN 570 H GLN 570 13.095 -6.429 1.219 400 HA GLN 570 HA GLN 570 13.531 -9.263 1.653 401 HB2 GLN 570 1HB GLN 570 13.332 -7.365 3.996 402 HB3 GLN 570 2HB GLN 570 13.404 -9.108 4.059 403 HG2 GLN 570 1HG GLN 570 15.576 -8.964 4.380 404 HG3 GLN 570 2HG GLN 570 15.749 -8.493 2.706 405 HE21 GLN 570 1HE2 GLN 570 14.561 -5.736 3.173 406 HE22 GLN 570 2HE2 GLN 570 15.835 -4.906 4.047 407 H GLU 571 H GLU 571 11.703 -10.327 2.132 408 HA GLU 571 HA GLU 571 9.144 -9.089 1.860 409 HB2 GLU 571 1HB GLU 571 10.440 -11.758 2.531 410 HB3 GLU 571 2HB GLU 571 8.813 -11.500 3.111 411 HG2 GLU 571 1HG GLU 571 7.987 -11.098 0.822 412 HG3 GLU 571 2HG GLU 571 9.644 -11.207 0.206 413 H GLY 572 H GLY 572 8.052 -8.027 3.544 414 HA2 GLY 572 1HA GLY 572 7.347 -7.902 5.833 415 HA3 GLY 572 2HA GLY 572 8.930 -8.439 6.365 416 H ILE 573 H ILE 573 8.859 -6.525 7.773 417 HA ILE 573 HA ILE 573 8.693 -3.852 6.743 418 HB ILE 573 HB ILE 573 9.835 -5.036 9.290 419 HG12 ILE 573 1HG1 ILE 573 7.351 -4.981 9.036 420 HG13 ILE 573 2HG1 ILE 573 7.957 -4.107 10.427 421 HG21 ILE 573 1HG2 ILE 573 11.234 -3.070 9.021 422 HG22 ILE 573 2HG2 ILE 573 9.855 -2.054 8.597 423 HG23 ILE 573 3HG2 ILE 573 10.027 -2.698 10.238 424 HD11 ILE 573 3HD1 ILE 573 7.146 -2.756 7.822 425 HD12 ILE 573 1HD1 ILE 573 6.110 -2.917 9.245 426 HD13 ILE 573 2HD1 ILE 573 7.590 -1.954 9.342 427 H VAL 574 H VAL 574 10.069 -2.635 5.811 428 HA VAL 574 HA VAL 574 12.973 -3.132 6.046 429 HB VAL 574 HB VAL 574 11.453 -2.630 3.456 430 HG11 VAL 574 1HG1 VAL 574 13.588 -1.326 3.579 431 HG12 VAL 574 2HG1 VAL 574 14.460 -2.845 3.924 432 HG13 VAL 574 3HG1 VAL 574 13.612 -2.598 2.388 433 HG21 VAL 574 3HG2 VAL 574 12.700 -4.784 2.780 434 HG22 VAL 574 1HG2 VAL 574 13.024 -5.017 4.511 435 HG23 VAL 574 2HG2 VAL 574 11.368 -4.983 3.923 436 H ASP 575 H ASP 575 12.823 -1.599 7.692 437 HA ASP 575 HA ASP 575 11.860 1.108 7.288 438 HB2 ASP 575 1HB ASP 575 13.740 -0.257 9.216 439 HB3 ASP 575 2HB ASP 575 13.328 1.447 9.331 440 H TYR 576 H TYR 576 12.990 1.662 5.169 441 HA TYR 576 HA TYR 576 15.726 2.596 5.762 442 HD1 TYR 576 2HD TYR 576 18.345 1.784 5.088 443 HD2 TYR 576 1HD TYR 576 15.885 1.992 1.572 444 HE1 TYR 576 2HE TYR 576 20.264 2.737 3.836 445 HE2 TYR 576 1HE TYR 576 17.784 2.996 0.299 446 HH TYR 576 HH TYR 576 21.080 3.381 1.624 447 HB2 TYR 576 1HB TYR 576 16.202 0.423 4.822 448 HB3 TYR 576 2HB TYR 576 15.146 0.739 3.449 449 H GLY 577 H GLY 577 15.185 4.685 5.621 450 HA2 GLY 577 1HA GLY 577 15.288 6.641 4.336 451 HA3 GLY 577 2HA GLY 577 14.869 5.735 2.881 452 H VAL 578 H VAL 578 12.645 4.596 3.133 453 HA VAL 578 HA VAL 578 10.560 6.203 4.491 454 HB VAL 578 HB VAL 578 10.613 5.007 1.694 455 HG11 VAL 578 1HG1 VAL 578 8.491 4.235 2.669 456 HG12 VAL 578 2HG1 VAL 578 8.139 5.910 3.188 457 HG13 VAL 578 3HG1 VAL 578 8.224 5.503 1.469 458 HG21 VAL 578 3HG2 VAL 578 9.783 7.261 1.058 459 HG22 VAL 578 1HG2 VAL 578 9.813 7.753 2.766 460 HG23 VAL 578 2HG2 VAL 578 11.326 7.367 1.921 461 H ARG 579 H ARG 579 8.929 4.735 5.336 462 HA ARG 579 HA ARG 579 10.044 2.160 6.302 463 HE ARG 579 HE ARG 579 6.602 3.345 10.438 464 HB2 ARG 579 1HB ARG 579 7.573 3.836 6.720 465 HB3 ARG 579 2HB ARG 579 7.579 2.149 7.274 466 HG2 ARG 579 1HG ARG 579 9.177 2.513 8.912 467 HG3 ARG 579 2HG ARG 579 9.844 3.918 8.128 468 HD2 ARG 579 1HD ARG 579 8.595 5.240 9.451 469 HD3 ARG 579 2HD ARG 579 7.163 4.636 8.613 470 HH11 ARG 579 2HH2 ARG 579 9.970 4.504 10.905 471 HH12 ARG 579 1HH2 ARG 579 10.064 3.857 12.495 472 HH21 ARG 579 2HH1 ARG 579 6.664 2.739 12.507 473 HH22 ARG 579 1HH1 ARG 579 8.149 2.714 13.432 474 H PHE 580 H PHE 580 9.868 0.383 4.972 475 HA PHE 580 HA PHE 580 7.632 0.352 3.025 476 HD1 PHE 580 2HD PHE 580 7.808 1.364 1.133 477 HD2 PHE 580 1HD PHE 580 12.027 0.912 1.945 478 HE1 PHE 580 2HE PHE 580 8.278 3.068 -0.504 479 HE2 PHE 580 1HE PHE 580 12.502 2.730 0.346 480 HZ PHE 580 HZ PHE 580 10.639 3.810 -0.913 481 HB2 PHE 580 1HB PHE 580 10.493 -0.662 2.880 482 HB3 PHE 580 2HB PHE 580 9.269 -1.099 1.721 483 H PHE 581 H PHE 581 6.743 -1.734 2.526 484 HA PHE 581 HA PHE 581 7.371 -3.982 4.332 485 HD1 PHE 581 2HD PHE 581 6.348 -4.602 6.738 486 HD2 PHE 581 1HD PHE 581 3.214 -5.040 3.814 487 HE1 PHE 581 2HE PHE 581 5.392 -6.474 8.052 488 HE2 PHE 581 1HE PHE 581 2.243 -6.922 5.182 489 HZ PHE 581 HZ PHE 581 3.297 -7.563 7.302 490 HB2 PHE 581 1HB PHE 581 5.462 -2.683 5.321 491 HB3 PHE 581 2HB PHE 581 4.514 -3.012 3.904 492 H PHE 582 H PHE 582 8.359 -4.985 2.494 493 HA PHE 582 HA PHE 582 6.876 -5.097 -0.047 494 HD1 PHE 582 1HD PHE 582 8.728 -4.630 -2.214 495 HD2 PHE 582 2HD PHE 582 10.691 -4.748 1.596 496 HE1 PHE 582 1HE PHE 582 10.009 -2.534 -2.801 497 HE2 PHE 582 2HE PHE 582 11.960 -2.694 1.013 498 HZ PHE 582 HZ PHE 582 11.665 -1.614 -1.181 499 HB2 PHE 582 1HB PHE 582 9.311 -6.646 0.778 500 HB3 PHE 582 2HB PHE 582 8.582 -6.604 -0.813 501 H TYR 583 H TYR 583 5.536 -6.796 -0.608 502 HA TYR 583 HA TYR 583 5.419 -9.167 1.177 503 HD1 TYR 583 1HD TYR 583 3.416 -5.401 0.712 504 HD2 TYR 583 2HD TYR 583 1.544 -9.135 -0.348 505 HE1 TYR 583 1HE TYR 583 1.813 -4.183 -0.728 506 HE2 TYR 583 2HE TYR 583 -0.020 -7.926 -1.833 507 HH TYR 583 HH TYR 583 0.015 -4.369 -2.206 508 HB2 TYR 583 1HB TYR 583 3.096 -8.998 1.517 509 HB3 TYR 583 2HB TYR 583 3.804 -7.487 2.047 510 H THR 584 H THR 584 3.874 -10.804 0.376 511 HA THR 584 HA THR 584 4.497 -11.464 -2.351 512 HB THR 584 HB THR 584 3.823 -13.741 -0.951 513 HG1 THR 584 1HG THR 584 3.798 -13.272 1.209 514 HG21 THR 584 3HG2 THR 584 5.939 -13.345 -2.109 515 HG22 THR 584 1HG2 THR 584 6.415 -12.106 -0.939 516 HG23 THR 584 2HG2 THR 584 6.312 -13.795 -0.420 517 H SER 585 H SER 585 2.809 -11.508 -3.885 518 HA SER 585 HA SER 585 0.152 -10.800 -3.057 519 HG SER 585 HG SER 585 1.366 -11.560 -6.828 520 HB2 SER 585 1HB SER 585 -0.339 -11.051 -5.464 521 HB3 SER 585 2HB SER 585 1.090 -10.087 -5.169 522 H LYS 586 H LYS 586 1.818 -13.768 -3.392 523 HA LYS 586 HA LYS 586 -0.435 -15.581 -3.695 524 HB2 LYS 586 1HB LYS 586 2.441 -15.886 -2.792 525 HB3 LYS 586 2HB LYS 586 1.272 -17.215 -2.705 526 HG2 LYS 586 1HG LYS 586 0.719 -16.936 -5.099 527 HG3 LYS 586 2HG LYS 586 1.902 -15.630 -5.252 528 HD2 LYS 586 1HD LYS 586 2.661 -18.395 -4.270 529 HD3 LYS 586 2HD LYS 586 2.526 -18.009 -5.991 530 HE2 LYS 586 1HE LYS 586 4.156 -16.170 -5.764 531 HE3 LYS 586 2HE LYS 586 4.363 -16.544 -4.041 532 HZ1 LYS 586 3HZ LYS 586 5.315 -18.630 -4.626 533 HZ2 LYS 586 1HZ LYS 586 4.893 -18.477 -6.193 534 HZ3 LYS 586 2HZ LYS 586 6.063 -17.492 -5.595 535 H GLU 587 H GLU 587 0.825 -13.689 -1.020 536 HA GLU 587 HA GLU 587 -0.256 -15.343 1.069 537 HB2 GLU 587 1HB GLU 587 1.679 -13.535 1.013 538 HB3 GLU 587 2HB GLU 587 0.369 -12.372 1.318 539 HG2 GLU 587 1HG GLU 587 -0.114 -13.324 3.431 540 HG3 GLU 587 2HG GLU 587 0.646 -14.857 3.035 541 HA PRO 588 HA PRO 588 -4.487 -14.120 0.159 542 HB2 PRO 588 1HB PRO 588 -4.926 -14.248 3.129 543 HB3 PRO 588 2HB PRO 588 -5.858 -15.031 1.828 544 HG2 PRO 588 1HG PRO 588 -4.079 -16.399 3.411 545 HG3 PRO 588 2HG PRO 588 -4.336 -16.799 1.700 546 HD2 PRO 588 1HD PRO 588 -2.055 -15.325 2.962 547 HD3 PRO 588 2HD PRO 588 -2.064 -16.398 1.541 548 H VAL 589 H VAL 589 -5.478 -12.135 -0.059 549 HA VAL 589 HA VAL 589 -4.331 -9.750 0.925 550 HB VAL 589 HB VAL 589 -7.317 -10.239 0.365 551 HG11 VAL 589 1HG1 VAL 589 -6.740 -8.042 1.453 552 HG12 VAL 589 2HG1 VAL 589 -5.634 -7.680 0.128 553 HG13 VAL 589 3HG1 VAL 589 -7.384 -7.845 -0.167 554 HG21 VAL 589 3HG2 VAL 589 -5.940 -10.933 -1.610 555 HG22 VAL 589 1HG2 VAL 589 -6.884 -9.512 -1.942 556 HG23 VAL 589 2HG2 VAL 589 -5.170 -9.333 -1.584 557 H ALA 590 H ALA 590 -6.844 -11.839 2.350 558 HA ALA 590 HA ALA 590 -7.446 -10.269 4.645 559 HB1 ALA 590 1HB ALA 590 -7.500 -13.272 4.169 560 HB2 ALA 590 2HB ALA 590 -8.072 -12.510 5.658 561 HB3 ALA 590 3HB ALA 590 -8.850 -12.107 4.125 562 H SER 591 H SER 591 -4.969 -12.890 4.284 563 HA SER 591 HA SER 591 -4.095 -12.757 6.989 564 HG SER 591 HG SER 591 -2.591 -14.767 7.194 565 HB2 SER 591 1HB SER 591 -3.850 -14.687 5.393 566 HB3 SER 591 2HB SER 591 -2.608 -13.759 4.531 567 H ILE 592 H ILE 592 -2.694 -11.357 3.905 568 HA ILE 592 HA ILE 592 -0.551 -10.154 5.109 569 HB ILE 592 HB ILE 592 -1.605 -10.540 2.559 570 HG12 ILE 592 1HG1 ILE 592 0.672 -10.832 3.260 571 HG13 ILE 592 2HG1 ILE 592 0.577 -9.896 1.781 572 HG21 ILE 592 1HG2 ILE 592 -1.297 -7.549 2.838 573 HG22 ILE 592 2HG2 ILE 592 -1.388 -8.488 1.327 574 HG23 ILE 592 3HG2 ILE 592 -2.776 -8.454 2.438 575 HD11 ILE 592 3HD1 ILE 592 2.239 -9.096 3.547 576 HD12 ILE 592 1HD1 ILE 592 1.106 -7.865 2.934 577 HD13 ILE 592 2HD1 ILE 592 0.856 -8.627 4.523 578 H ILE 593 H ILE 593 -3.856 -8.879 4.705 579 HA ILE 593 HA ILE 593 -3.352 -6.309 5.881 580 HB ILE 593 HB ILE 593 -5.770 -8.041 5.307 581 HG12 ILE 593 1HG1 ILE 593 -4.838 -5.265 4.398 582 HG13 ILE 593 2HG1 ILE 593 -4.632 -6.759 3.488 583 HG21 ILE 593 1HG2 ILE 593 -6.355 -6.998 7.413 584 HG22 ILE 593 2HG2 ILE 593 -5.871 -5.418 6.761 585 HG23 ILE 593 3HG2 ILE 593 -7.271 -6.287 6.096 586 HD11 ILE 593 3HD1 ILE 593 -7.223 -5.292 4.062 587 HD12 ILE 593 1HD1 ILE 593 -6.476 -5.644 2.503 588 HD13 ILE 593 2HD1 ILE 593 -7.185 -6.964 3.462 589 H THR 594 H THR 594 -4.743 -9.277 7.361 590 HA THR 594 HA THR 594 -4.745 -8.694 10.012 591 HB THR 594 HB THR 594 -3.830 -11.311 8.770 592 HG1 THR 594 1HG THR 594 -5.766 -10.653 7.913 593 HG21 THR 594 3HG2 THR 594 -4.892 -12.392 10.702 594 HG22 THR 594 1HG2 THR 594 -3.511 -11.399 11.174 595 HG23 THR 594 2HG2 THR 594 -5.164 -10.803 11.453 596 H LYS 595 H LYS 595 -1.662 -9.336 8.192 597 HA LYS 595 HA LYS 595 -0.076 -9.277 10.598 598 HB2 LYS 595 1HB LYS 595 0.492 -8.932 7.635 599 HB3 LYS 595 2HB LYS 595 1.713 -8.672 8.854 600 HG2 LYS 595 1HG LYS 595 2.037 -10.888 9.207 601 HG3 LYS 595 2HG LYS 595 0.307 -11.182 9.402 602 HD2 LYS 595 1HD LYS 595 0.083 -11.066 6.902 603 HD3 LYS 595 2HD LYS 595 1.841 -11.080 6.769 604 HE2 LYS 595 1HE LYS 595 0.709 -13.194 8.558 605 HE3 LYS 595 2HE LYS 595 0.172 -13.300 6.869 606 HZ1 LYS 595 3HZ LYS 595 2.446 -13.274 6.181 607 HZ2 LYS 595 1HZ LYS 595 2.995 -13.247 7.709 608 HZ3 LYS 595 2HZ LYS 595 2.149 -14.572 7.170 609 H LEU 596 H LEU 596 -0.723 -6.759 8.086 610 HA LEU 596 HA LEU 596 0.639 -4.605 9.316 611 HG LEU 596 HG LEU 596 -0.069 -5.472 6.371 612 HB2 LEU 596 1HB LEU 596 -1.965 -4.567 7.735 613 HB3 LEU 596 2HB LEU 596 -0.998 -3.134 8.128 614 HD11 LEU 596 1HD1 LEU 596 -0.269 -3.843 4.538 615 HD12 LEU 596 2HD1 LEU 596 -1.831 -4.111 5.340 616 HD13 LEU 596 3HD1 LEU 596 -0.904 -2.625 5.686 617 HD21 LEU 596 3HD2 LEU 596 1.779 -3.730 5.826 618 HD22 LEU 596 1HD2 LEU 596 1.298 -2.934 7.338 619 HD23 LEU 596 2HD2 LEU 596 1.893 -4.595 7.360 620 H ASN 597 H ASN 597 -2.573 -5.845 9.920 621 HA ASN 597 HA ASN 597 -3.621 -3.889 11.615 622 HB2 ASN 597 1HB ASN 597 -3.950 -6.913 11.558 623 HB3 ASN 597 2HB ASN 597 -4.957 -5.837 12.509 624 HD21 ASN 597 1HD2 ASN 597 -6.220 -7.339 10.810 625 HD22 ASN 597 2HD2 ASN 597 -6.735 -6.546 9.363 626 H SER 598 H SER 598 -1.015 -6.090 12.400 627 HA SER 598 HA SER 598 -1.561 -6.121 15.288 628 HG SER 598 HG SER 598 0.979 -7.447 16.099 629 HB2 SER 598 1HB SER 598 -0.570 -8.072 14.722 630 HB3 SER 598 2HB SER 598 0.255 -7.320 13.440 631 H LEU 599 H LEU 599 0.495 -4.911 12.842 632 HA LEU 599 HA LEU 599 2.281 -3.542 14.302 633 HG LEU 599 HG LEU 599 3.489 -4.740 13.133 634 HB2 LEU 599 1HB LEU 599 1.658 -3.142 11.372 635 HB3 LEU 599 2HB LEU 599 2.953 -2.308 12.225 636 HD11 LEU 599 1HD1 LEU 599 2.028 -5.463 10.730 637 HD12 LEU 599 2HD1 LEU 599 3.286 -6.476 11.506 638 HD13 LEU 599 3HD1 LEU 599 1.886 -5.978 12.473 639 HD21 LEU 599 3HD2 LEU 599 5.085 -3.367 11.728 640 HD22 LEU 599 1HD2 LEU 599 5.106 -5.045 11.176 641 HD23 LEU 599 2HD2 LEU 599 4.168 -3.851 10.285 642 H ASN 600 H ASN 600 -0.678 -2.369 12.821 643 HA ASN 600 HA ASN 600 -2.027 -0.599 13.115 644 HB2 ASN 600 1HB ASN 600 -1.987 -1.362 15.487 645 HB3 ASN 600 2HB ASN 600 -0.722 -0.173 15.811 646 HD21 ASN 600 1HD2 ASN 600 -1.434 1.942 16.277 647 HD22 ASN 600 2HD2 ASN 600 -2.933 2.625 15.754 648 H GLU 601 H GLU 601 0.163 -0.184 11.474 649 HA GLU 601 HA GLU 601 1.145 2.491 12.223 650 HB2 GLU 601 1HB GLU 601 1.990 0.578 10.076 651 HB3 GLU 601 2HB GLU 601 2.547 2.230 10.112 652 HG2 GLU 601 1HG GLU 601 2.849 0.572 12.640 653 HG3 GLU 601 2HG GLU 601 3.909 0.266 11.271 654 HA PRO 602 HA PRO 602 -1.979 4.093 9.411 655 HB2 PRO 602 1HB PRO 602 -1.219 6.711 9.214 656 HB3 PRO 602 2HB PRO 602 -1.953 5.958 10.657 657 HG2 PRO 602 1HG PRO 602 0.984 6.494 10.101 658 HG3 PRO 602 2HG PRO 602 0.069 6.778 11.625 659 HD2 PRO 602 1HD PRO 602 1.643 4.517 11.138 660 HD3 PRO 602 2HD PRO 602 0.228 4.562 12.258 661 H LEU 603 H LEU 603 -1.670 3.081 7.579 662 HA LEU 603 HA LEU 603 0.774 3.267 6.060 663 HG LEU 603 HG LEU 603 -0.143 1.163 7.344 664 HB2 LEU 603 1HB LEU 603 -1.854 2.001 5.185 665 HB3 LEU 603 2HB LEU 603 -0.298 1.702 4.471 666 HD11 LEU 603 1HD1 LEU 603 -1.594 -0.885 7.301 667 HD12 LEU 603 2HD1 LEU 603 -2.502 0.618 7.255 668 HD13 LEU 603 3HD1 LEU 603 -2.283 -0.312 5.764 669 HD21 LEU 603 3HD2 LEU 603 0.722 -0.958 6.577 670 HD22 LEU 603 1HD2 LEU 603 0.164 -0.600 4.926 671 HD23 LEU 603 2HD2 LEU 603 1.446 0.386 5.680 672 H VAL 604 H VAL 604 0.811 3.514 3.615 673 HA VAL 604 HA VAL 604 -1.327 5.025 2.378 674 HB VAL 604 HB VAL 604 -0.137 6.911 3.214 675 HG11 VAL 604 1HG1 VAL 604 2.484 5.956 2.026 676 HG12 VAL 604 2HG1 VAL 604 2.191 7.432 2.956 677 HG13 VAL 604 3HG1 VAL 604 2.074 5.847 3.739 678 HG21 VAL 604 3HG2 VAL 604 0.594 8.108 1.228 679 HG22 VAL 604 1HG2 VAL 604 0.750 6.589 0.329 680 HG23 VAL 604 2HG2 VAL 604 -0.849 7.140 0.855 681 H THR 605 H THR 605 -1.686 3.467 0.736 682 HA THR 605 HA THR 605 0.336 3.251 -1.248 683 HB THR 605 HB THR 605 0.561 1.394 0.869 684 HG1 THR 605 1HG THR 605 2.160 0.554 -0.481 685 HG21 THR 605 3HG2 THR 605 0.257 -0.768 0.017 686 HG22 THR 605 1HG2 THR 605 -1.295 0.074 0.041 687 HG23 THR 605 2HG2 THR 605 -0.426 -0.198 -1.502 688 H MET 606 H MET 606 -0.525 1.507 -3.028 689 HA MET 606 HA MET 606 -3.139 2.176 -3.918 690 HB2 MET 606 1HB MET 606 -1.276 -0.169 -4.416 691 HB3 MET 606 2HB MET 606 -2.678 0.171 -5.407 692 HG2 MET 606 1HG MET 606 -1.775 2.131 -6.318 693 HG3 MET 606 2HG MET 606 -0.494 2.230 -5.117 694 HE1 MET 606 3HE MET 606 -1.932 -0.196 -7.885 695 HE2 MET 606 1HE MET 606 -0.521 -1.218 -8.226 696 HE3 MET 606 2HE MET 606 -1.331 -1.317 -6.645 697 HA PRO 607 HA PRO 607 -5.572 -0.858 -1.700 698 HB2 PRO 607 1HB PRO 607 -6.919 -2.035 -4.015 699 HB3 PRO 607 2HB PRO 607 -7.574 -0.956 -2.772 700 HG2 PRO 607 1HG PRO 607 -7.141 -0.177 -5.391 701 HG3 PRO 607 2HG PRO 607 -7.081 0.960 -4.007 702 HD2 PRO 607 1HD PRO 607 -4.819 -0.509 -5.392 703 HD3 PRO 607 2HD PRO 607 -4.908 1.233 -4.997 704 H ILE 608 H ILE 608 -5.228 -2.879 -0.973 705 HA ILE 608 HA ILE 608 -2.829 -4.164 -1.985 706 HB ILE 608 HB ILE 608 -4.636 -4.757 0.408 707 HG12 ILE 608 1HG1 ILE 608 -3.573 -2.582 0.618 708 HG13 ILE 608 2HG1 ILE 608 -2.959 -3.713 1.791 709 HG21 ILE 608 1HG2 ILE 608 -1.915 -5.966 -0.229 710 HG22 ILE 608 2HG2 ILE 608 -2.713 -6.041 1.355 711 HG23 ILE 608 3HG2 ILE 608 -3.461 -6.818 -0.047 712 HD11 ILE 608 3HD1 ILE 608 -0.897 -4.008 0.364 713 HD12 ILE 608 1HD1 ILE 608 -1.541 -2.764 -0.735 714 HD13 ILE 608 2HD1 ILE 608 -1.154 -2.363 0.951 715 H GLY 609 H GLY 609 -6.232 -5.231 -1.568 716 HA2 GLY 609 1HA GLY 609 -5.641 -7.622 -3.226 717 HA3 GLY 609 2HA GLY 609 -7.108 -7.315 -2.267 718 H TYR 610 H TYR 610 -5.248 -6.143 -5.020 719 HA TYR 610 HA TYR 610 -7.793 -5.541 -6.465 720 HD1 TYR 610 2HD TYR 610 -8.893 -4.394 -7.795 721 HD2 TYR 610 1HD TYR 610 -5.284 -1.954 -8.004 722 HE1 TYR 610 2HE TYR 610 -9.814 -3.220 -9.664 723 HE2 TYR 610 1HE TYR 610 -6.207 -0.824 -9.985 724 HH TYR 610 HH TYR 610 -7.752 -1.228 -11.735 725 HB2 TYR 610 1HB TYR 610 -6.768 -3.433 -5.642 726 HB3 TYR 610 2HB TYR 610 -5.309 -3.813 -6.544 727 H VAL 611 H VAL 611 -6.244 -4.927 -8.891 728 HA VAL 611 HA VAL 611 -5.577 -7.229 -10.161 729 HB VAL 611 HB VAL 611 -4.119 -4.554 -10.321 730 HG11 VAL 611 1HG1 VAL 611 -4.311 -6.773 -12.408 731 HG12 VAL 611 2HG1 VAL 611 -3.650 -5.149 -12.686 732 HG13 VAL 611 3HG1 VAL 611 -2.838 -6.246 -11.564 733 HG21 VAL 611 3HG2 VAL 611 -5.670 -3.991 -12.129 734 HG22 VAL 611 1HG2 VAL 611 -6.497 -5.542 -11.952 735 HG23 VAL 611 2HG2 VAL 611 -6.586 -4.329 -10.667 736 H THR 612 H THR 612 -3.521 -5.652 -7.654 737 HA THR 612 HA THR 612 -1.146 -7.157 -7.821 738 HB THR 612 HB THR 612 -1.311 -6.636 -5.247 739 HG1 THR 612 1HG THR 612 -2.942 -5.232 -4.703 740 HG21 THR 612 3HG2 THR 612 -1.407 -4.320 -7.246 741 HG22 THR 612 1HG2 THR 612 -0.747 -4.260 -5.598 742 HG23 THR 612 2HG2 THR 612 0.037 -5.267 -6.825 743 H HIS 613 H HIS 613 -4.298 -8.205 -6.952 744 HA HIS 613 HA HIS 613 -3.324 -10.829 -6.037 745 HD1 HIS 613 1HD HIS 613 -3.107 -8.088 -3.435 746 HD2 HIS 613 2HD HIS 613 -4.174 -12.174 -3.062 747 HE1 HIS 613 1HE HIS 613 -1.819 -9.044 -1.412 748 HE2 HIS 613 2HE HIS 613 -2.411 -11.573 -1.282 749 HB2 HIS 613 1HB HIS 613 -5.413 -9.072 -4.818 750 HB3 HIS 613 2HB HIS 613 -5.570 -10.813 -4.731 751 H GLY 614 H GLY 614 -4.905 -9.212 -8.569 752 HA2 GLY 614 1HA GLY 614 -6.278 -9.992 -10.267 753 HA3 GLY 614 2HA GLY 614 -6.431 -11.544 -9.455 754 H PHE 615 H PHE 615 -7.145 -8.568 -7.710 755 HA PHE 615 HA PHE 615 -9.941 -9.484 -7.174 756 HD1 PHE 615 1HD PHE 615 -8.256 -10.914 -5.691 757 HD2 PHE 615 2HD PHE 615 -9.787 -7.615 -3.380 758 HE1 PHE 615 1HE PHE 615 -8.453 -12.382 -3.691 759 HE2 PHE 615 2HE PHE 615 -9.956 -9.034 -1.402 760 HZ PHE 615 HZ PHE 615 -9.309 -11.477 -1.541 761 HB2 PHE 615 1HB PHE 615 -7.878 -7.857 -5.812 762 HB3 PHE 615 2HB PHE 615 -9.554 -7.359 -5.628 763 H ASN 616 H ASN 616 -11.533 -7.915 -7.165 764 HA ASN 616 HA ASN 616 -11.398 -5.895 -9.302 765 HB2 ASN 616 1HB ASN 616 -13.714 -6.540 -7.368 766 HB3 ASN 616 2HB ASN 616 -13.844 -5.593 -8.853 767 HD21 ASN 616 1HD2 ASN 616 -15.346 -8.115 -8.005 768 HD22 ASN 616 2HD2 ASN 616 -15.007 -9.218 -9.311 769 H LEU 617 H LEU 617 -12.346 -3.794 -8.959 770 HA LEU 617 HA LEU 617 -11.140 -2.308 -6.889 771 HG LEU 617 HG LEU 617 -12.844 0.267 -6.918 772 HB2 LEU 617 1HB LEU 617 -12.041 -1.589 -9.189 773 HB3 LEU 617 2HB LEU 617 -13.632 -1.506 -8.444 774 HD11 LEU 617 1HD1 LEU 617 -10.577 -0.210 -6.481 775 HD12 LEU 617 2HD1 LEU 617 -10.150 -0.276 -8.213 776 HD13 LEU 617 3HD1 LEU 617 -10.511 1.269 -7.411 777 HD21 LEU 617 3HD2 LEU 617 -13.601 1.021 -9.156 778 HD22 LEU 617 1HD2 LEU 617 -12.245 2.023 -8.606 779 HD23 LEU 617 2HD2 LEU 617 -11.965 0.722 -9.799 780 H GLU 618 H GLU 618 -14.462 -3.576 -7.181 781 HA GLU 618 HA GLU 618 -15.470 -2.646 -4.719 782 HB2 GLU 618 1HB GLU 618 -16.732 -3.359 -6.714 783 HB3 GLU 618 2HB GLU 618 -16.291 -5.015 -6.432 784 HG2 GLU 618 1HG GLU 618 -17.731 -3.414 -4.298 785 HG3 GLU 618 2HG GLU 618 -18.640 -4.018 -5.686 786 H GLU 619 H GLU 619 -13.676 -5.583 -5.527 787 HA GLU 619 HA GLU 619 -14.188 -6.821 -2.967 788 HB2 GLU 619 1HB GLU 619 -12.324 -7.570 -5.238 789 HB3 GLU 619 2HB GLU 619 -12.382 -8.444 -3.710 790 HG2 GLU 619 1HG GLU 619 -15.095 -8.227 -4.371 791 HG3 GLU 619 2HG GLU 619 -14.305 -8.464 -5.929 792 H ALA 620 H ALA 620 -11.329 -5.178 -4.446 793 HA ALA 620 HA ALA 620 -9.677 -5.193 -2.214 794 HB1 ALA 620 1HB ALA 620 -10.045 -2.637 -3.756 795 HB2 ALA 620 2HB ALA 620 -8.545 -3.410 -3.149 796 HB3 ALA 620 3HB ALA 620 -9.380 -4.061 -4.566 797 H ALA 621 H ALA 621 -12.420 -2.975 -2.825 798 HA ALA 621 HA ALA 621 -12.123 -1.316 -0.544 799 HB1 ALA 621 1HB ALA 621 -13.502 -0.740 -2.506 800 HB2 ALA 621 2HB ALA 621 -14.634 -2.046 -2.111 801 HB3 ALA 621 3HB ALA 621 -14.442 -0.674 -1.011 802 H ARG 622 H ARG 622 -14.191 -4.327 -1.048 803 HA ARG 622 HA ARG 622 -15.179 -4.168 1.607 804 HE ARG 622 HE ARG 622 -16.519 -7.163 -2.264 805 HB2 ARG 622 1HB ARG 622 -16.068 -6.301 1.366 806 HB3 ARG 622 2HB ARG 622 -16.177 -5.553 -0.232 807 HG2 ARG 622 1HG ARG 622 -14.288 -6.883 -0.977 808 HG3 ARG 622 2HG ARG 622 -14.173 -7.644 0.599 809 HD2 ARG 622 1HD ARG 622 -15.176 -9.147 -0.825 810 HD3 ARG 622 2HD ARG 622 -16.436 -8.575 0.283 811 HH11 ARG 622 2HH2 ARG 622 -17.266 -10.295 -0.728 812 HH12 ARG 622 1HH2 ARG 622 -18.596 -10.624 -1.822 813 HH21 ARG 622 2HH1 ARG 622 -18.161 -7.664 -3.697 814 HH22 ARG 622 1HH1 ARG 622 -19.114 -9.086 -3.593 815 H CYS 623 H CYS 623 -12.443 -5.875 0.245 816 HA CYS 623 HA CYS 623 -11.741 -7.246 2.623 817 HG CYS 623 HG CYS 623 -9.122 -7.862 2.933 818 HB2 CYS 623 1HB CYS 623 -10.882 -7.543 0.151 819 HB3 CYS 623 2HB CYS 623 -9.579 -6.450 0.666 820 H MET 624 H MET 624 -10.914 -3.933 1.586 821 HA MET 624 HA MET 624 -8.873 -3.511 3.560 822 HB2 MET 624 1HB MET 624 -10.667 -1.574 2.059 823 HB3 MET 624 2HB MET 624 -9.608 -1.041 3.361 824 HG2 MET 624 1HG MET 624 -8.734 -2.261 0.741 825 HG3 MET 624 2HG MET 624 -8.489 -0.620 1.340 826 HE1 MET 624 3HE MET 624 -6.139 -0.003 1.527 827 HE2 MET 624 1HE MET 624 -4.815 -1.132 1.814 828 HE3 MET 624 2HE MET 624 -5.826 -1.302 0.364 829 H ARG 625 H ARG 625 -12.466 -3.379 3.886 830 HA ARG 625 HA ARG 625 -12.466 -2.219 6.444 831 HE ARG 625 HE ARG 625 -15.897 -1.569 7.323 832 HB2 ARG 625 1HB ARG 625 -14.249 -4.391 5.272 833 HB3 ARG 625 2HB ARG 625 -14.512 -3.597 6.815 834 HG2 ARG 625 1HG ARG 625 -14.387 -1.362 5.497 835 HG3 ARG 625 2HG ARG 625 -14.617 -2.376 4.051 836 HD2 ARG 625 1HD ARG 625 -16.764 -1.465 4.848 837 HD3 ARG 625 2HD ARG 625 -16.728 -3.229 5.019 838 HH11 ARG 625 2HH2 ARG 625 -18.606 -3.449 5.986 839 HH12 ARG 625 1HH2 ARG 625 -19.168 -3.939 7.553 840 HH21 ARG 625 2HH1 ARG 625 -16.352 -2.582 9.255 841 HH22 ARG 625 1HH1 ARG 625 -17.589 -3.794 9.361 842 H SER 626 H SER 626 -11.222 -5.412 5.655 843 HA SER 626 HA SER 626 -11.271 -6.317 8.463 844 HG SER 626 HG SER 626 -9.254 -8.020 8.217 845 HB2 SER 626 1HB SER 626 -11.509 -7.911 6.558 846 HB3 SER 626 2HB SER 626 -9.908 -7.454 5.998 847 H LEU 627 H LEU 627 -9.503 -3.887 6.941 848 HA LEU 627 HA LEU 627 -6.980 -4.510 8.331 849 HG LEU 627 HG LEU 627 -5.831 -1.847 8.439 850 HB2 LEU 627 1HB LEU 627 -7.068 -3.255 6.055 851 HB3 LEU 627 2HB LEU 627 -7.931 -2.000 6.872 852 HD11 LEU 627 1HD1 LEU 627 -4.583 -3.038 5.915 853 HD12 LEU 627 2HD1 LEU 627 -3.721 -2.296 7.278 854 HD13 LEU 627 3HD1 LEU 627 -4.578 -3.798 7.515 855 HD21 LEU 627 3HD2 LEU 627 -5.755 -0.875 5.545 856 HD22 LEU 627 1HD2 LEU 627 -6.640 -0.093 6.889 857 HD23 LEU 627 2HD2 LEU 627 -4.877 -0.183 6.955 858 H LYS 628 H LYS 628 -6.433 -3.514 10.144 859 HA LYS 628 HA LYS 628 -8.472 -2.105 11.771 860 HB2 LYS 628 1HB LYS 628 -6.733 -4.440 12.639 861 HB3 LYS 628 2HB LYS 628 -7.970 -3.633 13.596 862 HG2 LYS 628 1HG LYS 628 -9.746 -4.512 12.110 863 HG3 LYS 628 2HG LYS 628 -8.549 -5.141 11.012 864 HD2 LYS 628 1HD LYS 628 -9.116 -7.032 11.983 865 HD3 LYS 628 2HD LYS 628 -7.708 -6.611 12.947 866 HE2 LYS 628 1HE LYS 628 -10.608 -6.244 13.728 867 HE3 LYS 628 2HE LYS 628 -9.553 -7.503 14.308 868 HZ1 LYS 628 3HZ LYS 628 -8.157 -5.742 15.277 869 HZ2 LYS 628 1HZ LYS 628 -9.314 -4.628 14.855 870 HZ3 LYS 628 2HZ LYS 628 -9.682 -5.815 15.929 871 H ALA 629 H ALA 629 -6.258 -1.092 10.252 872 HA ALA 629 HA ALA 629 -4.767 0.337 12.294 873 HB1 ALA 629 1HB ALA 629 -3.186 -1.426 11.397 874 HB2 ALA 629 2HB ALA 629 -3.519 -0.860 9.746 875 HB3 ALA 629 3HB ALA 629 -2.712 0.207 10.892 876 HA PRO 630 HA PRO 630 -6.367 3.458 9.442 877 HB2 PRO 630 1HB PRO 630 -3.968 5.160 9.640 878 HB3 PRO 630 2HB PRO 630 -5.599 5.452 10.294 879 HG2 PRO 630 1HG PRO 630 -3.399 4.867 11.892 880 HG3 PRO 630 2HG PRO 630 -5.068 4.448 12.342 881 HD2 PRO 630 1HD PRO 630 -2.960 2.681 11.123 882 HD3 PRO 630 2HD PRO 630 -4.114 2.342 12.446 883 H ALA 631 H ALA 631 -6.008 4.281 7.148 884 HA ALA 631 HA ALA 631 -3.378 3.825 5.982 885 HB1 ALA 631 1HB ALA 631 -5.840 2.334 4.948 886 HB2 ALA 631 2HB ALA 631 -4.280 2.450 4.100 887 HB3 ALA 631 3HB ALA 631 -4.367 1.610 5.648 888 H VAL 632 H VAL 632 -3.182 4.765 3.911 889 HA VAL 632 HA VAL 632 -5.450 6.380 2.889 890 HB VAL 632 HB VAL 632 -2.482 6.786 2.441 891 HG11 VAL 632 1HG1 VAL 632 -3.195 8.742 1.076 892 HG12 VAL 632 2HG1 VAL 632 -3.719 7.211 0.371 893 HG13 VAL 632 3HG1 VAL 632 -4.885 8.223 1.254 894 HG21 VAL 632 3HG2 VAL 632 -3.265 7.690 4.612 895 HG22 VAL 632 1HG2 VAL 632 -2.785 8.955 3.465 896 HG23 VAL 632 2HG2 VAL 632 -4.507 8.629 3.735 897 H VAL 633 H VAL 633 -6.464 5.090 1.491 898 HA VAL 633 HA VAL 633 -4.995 3.109 -0.143 899 HB VAL 633 HB VAL 633 -7.941 3.720 -0.420 900 HG11 VAL 633 1HG1 VAL 633 -7.983 1.329 -1.051 901 HG12 VAL 633 2HG1 VAL 633 -6.816 2.212 -2.023 902 HG13 VAL 633 3HG1 VAL 633 -6.252 1.187 -0.691 903 HG21 VAL 633 3HG2 VAL 633 -6.750 2.037 1.817 904 HG22 VAL 633 1HG2 VAL 633 -7.892 3.390 1.953 905 HG23 VAL 633 2HG2 VAL 633 -8.428 1.873 1.240 906 H SER 634 H SER 634 -4.922 3.590 -2.554 907 HA SER 634 HA SER 634 -6.311 6.083 -3.300 908 HG SER 634 HG SER 634 -4.233 6.905 -5.688 909 HB2 SER 634 1HB SER 634 -3.822 6.490 -2.986 910 HB3 SER 634 2HB SER 634 -3.582 5.394 -4.372 911 H VAL 635 H VAL 635 -6.748 6.205 -5.613 912 HA VAL 635 HA VAL 635 -6.678 3.646 -7.109 913 HB VAL 635 HB VAL 635 -9.017 4.100 -7.839 914 HG11 VAL 635 1HG1 VAL 635 -8.791 3.580 -4.827 915 HG12 VAL 635 2HG1 VAL 635 -10.114 3.076 -5.890 916 HG13 VAL 635 3HG1 VAL 635 -8.499 2.368 -6.079 917 HG21 VAL 635 3HG2 VAL 635 -9.215 6.470 -7.111 918 HG22 VAL 635 1HG2 VAL 635 -10.513 5.433 -6.490 919 HG23 VAL 635 2HG2 VAL 635 -9.199 5.922 -5.416 920 H SER 636 H SER 636 -7.764 4.276 -9.447 921 HA SER 636 HA SER 636 -5.824 5.736 -10.684 922 HG SER 636 HG SER 636 -6.577 4.261 -13.142 923 HB2 SER 636 1HB SER 636 -8.595 4.844 -11.487 924 HB3 SER 636 2HB SER 636 -7.649 5.847 -12.580 925 H SER 637 H SER 637 -9.080 6.956 -9.787 926 HA SER 637 HA SER 637 -8.380 9.722 -10.580 927 HG SER 637 HG SER 637 -9.890 7.299 -13.112 928 HB2 SER 637 1HB SER 637 -10.874 8.408 -11.539 929 HB3 SER 637 2HB SER 637 -10.036 9.784 -12.260 930 HA PRO 638 HA PRO 638 -10.865 10.526 -7.297 931 HB2 PRO 638 1HB PRO 638 -12.151 12.956 -7.830 932 HB3 PRO 638 2HB PRO 638 -10.426 12.773 -7.406 933 HG2 PRO 638 1HG PRO 638 -11.655 12.988 -10.171 934 HG3 PRO 638 2HG PRO 638 -10.176 13.791 -9.538 935 HD2 PRO 638 1HD PRO 638 -9.999 11.596 -11.062 936 HD3 PRO 638 2HD PRO 638 -8.894 11.864 -9.673 937 H ASP 639 H ASP 639 -12.731 10.607 -10.336 938 HA ASP 639 HA ASP 639 -15.298 10.183 -9.217 939 HB2 ASP 639 1HB ASP 639 -14.087 10.095 -11.850 940 HB3 ASP 639 2HB ASP 639 -15.078 8.649 -11.635 941 H ALA 640 H ALA 640 -12.584 7.985 -9.637 942 HA ALA 640 HA ALA 640 -14.145 5.580 -9.049 943 HB1 ALA 640 1HB ALA 640 -11.123 5.936 -9.283 944 HB2 ALA 640 2HB ALA 640 -12.020 4.417 -9.220 945 HB3 ALA 640 3HB ALA 640 -12.222 5.483 -10.614 946 H VAL 641 H VAL 641 -12.337 8.038 -7.234 947 HA VAL 641 HA VAL 641 -11.850 6.498 -4.837 948 HB VAL 641 HB VAL 641 -12.322 9.487 -5.242 949 HG11 VAL 641 1HG1 VAL 641 -11.131 9.757 -3.053 950 HG12 VAL 641 2HG1 VAL 641 -12.691 8.942 -2.885 951 HG13 VAL 641 3HG1 VAL 641 -11.189 8.003 -2.856 952 HG21 VAL 641 3HG2 VAL 641 -10.268 8.534 -6.384 953 HG22 VAL 641 1HG2 VAL 641 -9.875 9.683 -5.106 954 HG23 VAL 641 2HG2 VAL 641 -9.746 7.946 -4.813 955 H THR 642 H THR 642 -14.383 8.865 -5.765 956 HA THR 642 HA THR 642 -16.135 8.567 -3.689 957 HB THR 642 HB THR 642 -16.602 8.967 -6.659 958 HG1 THR 642 1HG THR 642 -16.059 10.960 -6.360 959 HG21 THR 642 3HG2 THR 642 -18.240 9.998 -4.298 960 HG22 THR 642 1HG2 THR 642 -18.613 10.233 -6.019 961 HG23 THR 642 2HG2 THR 642 -18.735 8.625 -5.285 962 H THR 643 H THR 643 -16.018 6.656 -6.734 963 HA THR 643 HA THR 643 -18.111 4.870 -6.168 964 HB THR 643 HB THR 643 -15.615 4.344 -7.871 965 HG1 THR 643 1HG THR 643 -16.456 6.200 -8.663 966 HG21 THR 643 3HG2 THR 643 -17.118 2.952 -9.201 967 HG22 THR 643 1HG2 THR 643 -17.060 2.367 -7.530 968 HG23 THR 643 2HG2 THR 643 -18.468 3.284 -8.086 969 H TYR 644 H TYR 644 -14.589 4.559 -5.402 970 HA TYR 644 HA TYR 644 -14.686 1.943 -4.458 971 HD1 TYR 644 1HD TYR 644 -12.384 3.182 -1.457 972 HD2 TYR 644 2HD TYR 644 -11.776 1.032 -5.115 973 HE1 TYR 644 1HE TYR 644 -11.007 1.517 -0.234 974 HE2 TYR 644 2HE TYR 644 -10.255 -0.576 -3.947 975 HH TYR 644 HH TYR 644 -9.808 -0.423 -0.394 976 HB2 TYR 644 1HB TYR 644 -12.689 3.114 -5.203 977 HB3 TYR 644 2HB TYR 644 -12.746 4.203 -3.869 978 H ASN 645 H ASN 645 -14.925 5.053 -2.674 979 HA ASN 645 HA ASN 645 -15.203 3.899 -0.045 980 HB2 ASN 645 1HB ASN 645 -16.469 6.438 -1.180 981 HB3 ASN 645 2HB ASN 645 -16.260 6.071 0.522 982 HD21 ASN 645 1HD2 ASN 645 -15.251 8.284 -1.267 983 HD22 ASN 645 2HD2 ASN 645 -13.545 8.332 -0.890 984 H GLY 646 H GLY 646 -17.416 4.710 -2.648 985 HA2 GLY 646 1HA GLY 646 -19.924 4.115 -1.528 986 HA3 GLY 646 2HA GLY 646 -19.490 3.849 -3.227 987 H TYR 647 H TYR 647 -17.863 1.794 -3.400 988 HA TYR 647 HA TYR 647 -19.221 -0.591 -2.759 989 HD1 TYR 647 2HD TYR 647 -19.256 -1.092 -5.084 990 HD2 TYR 647 1HD TYR 647 -15.075 -0.047 -4.944 991 HE1 TYR 647 2HE TYR 647 -19.190 -0.975 -7.547 992 HE2 TYR 647 1HE TYR 647 -15.038 0.167 -7.372 993 HH TYR 647 HH TYR 647 -16.443 0.385 -9.280 994 HB2 TYR 647 1HB TYR 647 -16.211 -0.210 -2.960 995 HB3 TYR 647 2HB TYR 647 -17.057 -1.729 -3.093 996 H LEU 648 H LEU 648 -17.042 1.323 -0.775 997 HA LEU 648 HA LEU 648 -16.403 -0.675 1.157 998 HG LEU 648 HG LEU 648 -14.355 -0.001 1.255 999 HB2 LEU 648 1HB LEU 648 -15.706 1.997 0.530 1000 HB3 LEU 648 2HB LEU 648 -16.366 2.087 2.169 1001 HD11 LEU 648 1HD1 LEU 648 -12.458 1.187 1.791 1002 HD12 LEU 648 2HD1 LEU 648 -13.373 2.130 0.607 1003 HD13 LEU 648 3HD1 LEU 648 -13.379 2.629 2.311 1004 HD21 LEU 648 3HD2 LEU 648 -13.668 -0.053 3.617 1005 HD22 LEU 648 1HD2 LEU 648 -14.699 1.352 3.979 1006 HD23 LEU 648 2HD2 LEU 648 -15.435 -0.187 3.518 1007 H THR 649 H THR 649 -19.231 1.460 0.787 1008 HA THR 649 HA THR 649 -20.264 0.542 3.417 1009 HB THR 649 HB THR 649 -21.942 2.507 2.852 1010 HG1 THR 649 1HG THR 649 -21.344 3.327 0.910 1011 HG21 THR 649 3HG2 THR 649 -20.327 4.009 3.935 1012 HG22 THR 649 1HG2 THR 649 -20.319 2.369 4.635 1013 HG23 THR 649 2HG2 THR 649 -19.018 2.849 3.515 1014 H SER 650 H SER 650 -21.487 1.377 0.232 1015 HA SER 650 HA SER 650 -22.482 -1.068 -0.318 1016 HG SER 650 HG SER 650 -25.067 1.461 0.491 1017 HB2 SER 650 1HB SER 650 -25.035 -0.718 -0.094 1018 HB3 SER 650 2HB SER 650 -24.150 -1.081 1.368 1019 H SER 651 H SER 651 -21.418 0.016 -2.222 1020 HA SER 651 HA SER 651 -21.237 1.239 -4.112 1021 HG SER 651 HG SER 651 -23.381 -1.206 -5.607 1022 HB2 SER 651 1HB SER 651 -24.156 0.592 -4.509 1023 HB3 SER 651 2HB SER 651 -22.989 1.022 -5.750 Start of MODEL 5 1 H1 GLY -4 H GLY -4 -3.155 11.088 14.229 2 HA2 GLY -4 1HA GLY -4 -3.377 10.858 11.741 3 HA3 GLY -4 2HA GLY -4 -4.891 11.206 12.590 4 H SER -3 H SER -3 -4.151 11.853 9.777 5 HA SER -3 HA SER -3 -5.368 14.389 9.665 6 HG SER -3 HG SER -3 -4.238 16.562 8.981 7 HB2 SER -3 1HB SER -3 -3.019 15.189 10.204 8 HB3 SER -3 2HB SER -3 -2.465 14.371 8.727 9 H HIS -2 H HIS -2 -6.398 14.437 7.750 10 HA HIS -2 HA HIS -2 -7.313 13.550 5.839 11 HD1 HIS -2 1HD HIS -2 -5.267 17.538 5.664 12 HD2 HIS -2 2HD HIS -2 -8.607 15.233 4.397 13 HE1 HIS -2 1HE HIS -2 -7.293 19.118 5.551 14 HE2 HIS -2 2HE HIS -2 -9.315 17.669 4.774 15 HB2 HIS -2 1HB HIS -2 -4.741 14.979 5.121 16 HB3 HIS -2 2HB HIS -2 -5.856 14.397 3.884 17 H MET -1 H MET -1 -7.182 11.319 6.544 18 HA MET -1 HA MET -1 -5.607 9.661 4.725 19 HB2 MET -1 1HB MET -1 -4.291 9.769 6.724 20 HB3 MET -1 2HB MET -1 -5.716 9.602 7.767 21 HG2 MET -1 1HG MET -1 -5.959 7.312 7.286 22 HG3 MET -1 2HG MET -1 -4.965 7.431 5.843 23 HE1 MET -1 3HE MET -1 -4.811 8.015 9.737 24 HE2 MET -1 1HE MET -1 -3.058 7.908 10.041 25 HE3 MET -1 2HE MET -1 -3.714 9.254 9.088 26 H GLY 527 H GLY 527 -6.690 7.855 4.081 27 HA2 GLY 527 1HA GLY 527 -8.878 6.455 4.430 28 HA3 GLY 527 2HA GLY 527 -9.562 8.089 4.220 29 H THR 528 H THR 528 -10.312 6.745 2.064 30 HA THR 528 HA THR 528 -8.354 6.208 0.153 31 HB THR 528 HB THR 528 -11.150 7.060 -0.569 32 HG1 THR 528 1HG THR 528 -11.975 5.568 0.538 33 HG21 THR 528 3HG2 THR 528 -9.571 6.275 -2.375 34 HG22 THR 528 1HG2 THR 528 -9.438 4.721 -1.522 35 HG23 THR 528 2HG2 THR 528 -10.994 5.245 -2.181 36 H VAL 529 H VAL 529 -7.539 7.363 -1.587 37 HA VAL 529 HA VAL 529 -8.369 10.082 -2.249 38 HB VAL 529 HB VAL 529 -6.095 10.945 -2.173 39 HG11 VAL 529 1HG1 VAL 529 -7.460 11.038 -0.061 40 HG12 VAL 529 2HG1 VAL 529 -6.527 9.629 0.523 41 HG13 VAL 529 3HG1 VAL 529 -5.708 11.161 0.168 42 HG21 VAL 529 3HG2 VAL 529 -4.279 9.566 -0.981 43 HG22 VAL 529 1HG2 VAL 529 -5.293 8.149 -1.330 44 HG23 VAL 529 2HG2 VAL 529 -4.659 9.130 -2.647 45 H SER 530 H SER 530 -6.782 10.617 -4.312 46 HA SER 530 HA SER 530 -5.921 8.128 -5.660 47 HG SER 530 HG SER 530 -5.864 9.037 -8.257 48 HB2 SER 530 1HB SER 530 -8.134 8.628 -6.619 49 HB3 SER 530 2HB SER 530 -7.589 10.249 -7.070 50 H TRP 531 H TRP 531 -4.054 9.143 -4.484 51 HA TRP 531 HA TRP 531 -2.777 11.461 -5.808 52 HD1 TRP 531 HD TRP 531 -3.995 12.534 -4.038 53 HE1 TRP 531 1HE TRP 531 -4.545 13.486 -1.761 54 HE3 TRP 531 3HE TRP 531 -0.632 9.872 -1.252 55 HZ2 TRP 531 2HZ TRP 531 -3.885 12.897 0.984 56 HZ3 TRP 531 3HZ TRP 531 -0.584 10.124 1.216 57 HH2 TRP 531 HH TRP 531 -2.249 11.586 2.352 58 HB2 TRP 531 1HB TRP 531 -1.771 9.504 -3.715 59 HB3 TRP 531 2HB TRP 531 -0.935 10.912 -4.271 60 H ASN 532 H ASN 532 -0.665 11.140 -6.804 61 HA ASN 532 HA ASN 532 -0.530 8.670 -8.434 62 HB2 ASN 532 1HB ASN 532 1.360 10.029 -9.570 63 HB3 ASN 532 2HB ASN 532 -0.296 10.446 -9.903 64 HD21 ASN 532 1HD2 ASN 532 2.535 12.038 -9.700 65 HD22 ASN 532 2HD2 ASN 532 1.875 13.496 -8.951 66 H LEU 533 H LEU 533 1.692 7.732 -8.605 67 HA LEU 533 HA LEU 533 2.507 6.865 -6.074 68 HG LEU 533 HG LEU 533 3.482 4.573 -6.596 69 HB2 LEU 533 1HB LEU 533 2.968 5.951 -8.514 70 HB3 LEU 533 2HB LEU 533 4.476 6.855 -8.362 71 HD11 LEU 533 1HD1 LEU 533 5.910 4.764 -8.395 72 HD12 LEU 533 2HD1 LEU 533 5.256 3.317 -7.591 73 HD13 LEU 533 3HD1 LEU 533 4.360 4.090 -8.916 74 HD21 LEU 533 3HD2 LEU 533 6.018 6.220 -6.272 75 HD22 LEU 533 1HD2 LEU 533 4.752 5.904 -5.062 76 HD23 LEU 533 2HD2 LEU 533 5.798 4.592 -5.582 77 H ARG 534 H ARG 534 3.958 9.432 -8.116 78 HA ARG 534 HA ARG 534 6.118 10.123 -6.397 79 HE ARG 534 HE ARG 534 8.457 10.624 -10.189 80 HB2 ARG 534 1HB ARG 534 4.390 11.759 -8.303 81 HB3 ARG 534 2HB ARG 534 5.677 12.523 -7.376 82 HG2 ARG 534 1HG ARG 534 6.167 10.089 -9.125 83 HG3 ARG 534 2HG ARG 534 6.274 11.746 -9.731 84 HD2 ARG 534 1HD ARG 534 7.896 12.244 -7.831 85 HD3 ARG 534 2HD ARG 534 7.986 10.497 -7.544 86 HH11 ARG 534 2HH2 ARG 534 9.951 12.529 -7.493 87 HH12 ARG 534 1HH2 ARG 534 11.238 13.065 -8.530 88 HH21 ARG 534 2HH1 ARG 534 10.359 11.262 -11.389 89 HH22 ARG 534 1HH1 ARG 534 11.637 12.066 -10.498 90 H GLU 535 H GLU 535 2.718 11.431 -6.307 91 HA GLU 535 HA GLU 535 3.123 13.159 -4.146 92 HB2 GLU 535 1HB GLU 535 0.827 11.845 -5.472 93 HB3 GLU 535 2HB GLU 535 0.577 12.333 -3.807 94 HG2 GLU 535 1HG GLU 535 1.824 14.324 -5.681 95 HG3 GLU 535 2HG GLU 535 0.131 13.914 -5.925 96 H MET 536 H MET 536 2.118 9.724 -4.223 97 HA MET 536 HA MET 536 1.799 9.432 -1.407 98 HB2 MET 536 1HB MET 536 2.502 7.367 -3.535 99 HB3 MET 536 2HB MET 536 1.982 6.983 -1.891 100 HG2 MET 536 1HG MET 536 -0.191 7.956 -2.253 101 HG3 MET 536 2HG MET 536 0.320 8.679 -3.780 102 HE1 MET 536 3HE MET 536 -0.610 4.256 -3.068 103 HE2 MET 536 1HE MET 536 0.765 5.034 -2.255 104 HE3 MET 536 2HE MET 536 -0.897 5.572 -1.904 105 H LEU 537 H LEU 537 4.650 8.932 -3.476 106 HA LEU 537 HA LEU 537 6.262 7.683 -1.470 107 HG LEU 537 HG LEU 537 9.108 8.101 -2.546 108 HB2 LEU 537 1HB LEU 537 6.501 7.875 -4.107 109 HB3 LEU 537 2HB LEU 537 7.422 9.306 -3.764 110 HD11 LEU 537 1HD1 LEU 537 7.896 6.307 -1.423 111 HD12 LEU 537 2HD1 LEU 537 7.400 5.607 -2.976 112 HD13 LEU 537 3HD1 LEU 537 9.106 5.579 -2.473 113 HD21 LEU 537 3HD2 LEU 537 9.096 8.216 -5.067 114 HD22 LEU 537 1HD2 LEU 537 9.993 6.823 -4.443 115 HD23 LEU 537 2HD2 LEU 537 8.353 6.608 -5.101 116 H ALA 538 H ALA 538 6.132 10.968 -2.778 117 HA ALA 538 HA ALA 538 7.944 12.194 -0.916 118 HB1 ALA 538 1HB ALA 538 7.204 13.332 -2.969 119 HB2 ALA 538 2HB ALA 538 5.534 13.387 -2.358 120 HB3 ALA 538 3HB ALA 538 6.815 14.315 -1.542 121 H HIS 539 H HIS 539 4.395 11.621 -0.725 122 HA HIS 539 HA HIS 539 3.995 12.860 1.765 123 HD1 HIS 539 1HD HIS 539 0.927 13.769 1.006 124 HD2 HIS 539 2HD HIS 539 1.567 10.441 3.462 125 HE1 HIS 539 1HE HIS 539 -0.501 14.201 3.120 126 HE2 HIS 539 2HE HIS 539 -0.208 12.147 4.622 127 HB2 HIS 539 1HB HIS 539 2.257 11.733 0.089 128 HB3 HIS 539 2HB HIS 539 2.499 10.314 1.065 129 H ALA 540 H ALA 540 4.948 9.462 1.072 130 HA ALA 540 HA ALA 540 5.132 8.658 3.812 131 HB1 ALA 540 1HB ALA 540 6.319 6.742 3.000 132 HB2 ALA 540 2HB ALA 540 4.973 7.067 1.896 133 HB3 ALA 540 3HB ALA 540 6.627 7.511 1.429 134 H GLU 541 H GLU 541 7.603 10.064 1.528 135 HA GLU 541 HA GLU 541 9.849 9.873 3.188 136 HB2 GLU 541 1HB GLU 541 8.899 11.720 0.960 137 HB3 GLU 541 2HB GLU 541 10.385 12.055 1.803 138 HG2 GLU 541 1HG GLU 541 11.185 9.798 1.310 139 HG3 GLU 541 2HG GLU 541 9.744 9.489 0.328 140 H GLU 542 H GLU 542 7.372 12.366 2.925 141 HA GLU 542 HA GLU 542 8.322 14.086 4.955 142 HB2 GLU 542 1HB GLU 542 6.536 14.476 3.112 143 HB3 GLU 542 2HB GLU 542 5.395 13.679 4.183 144 HG2 GLU 542 1HG GLU 542 5.070 15.786 4.968 145 HG3 GLU 542 2HG GLU 542 6.500 15.421 5.938 146 H THR 543 H THR 543 5.567 11.792 5.138 147 HA THR 543 HA THR 543 5.465 12.270 8.027 148 HB THR 543 HB THR 543 3.267 11.115 7.865 149 HG1 THR 543 1HG THR 543 3.894 11.025 5.083 150 HG21 THR 543 3HG2 THR 543 3.656 13.370 5.860 151 HG22 THR 543 1HG2 THR 543 2.136 12.882 6.634 152 HG23 THR 543 2HG2 THR 543 3.456 13.533 7.618 153 H ARG 544 H ARG 544 7.125 9.984 6.326 154 HA ARG 544 HA ARG 544 7.990 7.972 6.659 155 HE ARG 544 HE ARG 544 11.744 10.120 7.457 156 HB2 ARG 544 1HB ARG 544 7.824 8.973 9.505 157 HB3 ARG 544 2HB ARG 544 8.421 7.358 9.165 158 HG2 ARG 544 1HG ARG 544 10.279 8.876 9.319 159 HG3 ARG 544 2HG ARG 544 10.162 8.204 7.689 160 HD2 ARG 544 1HD ARG 544 9.203 10.286 6.842 161 HD3 ARG 544 2HD ARG 544 9.100 10.941 8.491 162 HH11 ARG 544 2HH2 ARG 544 9.439 12.836 7.624 163 HH12 ARG 544 1HH2 ARG 544 10.676 14.041 7.449 164 HH21 ARG 544 2HH1 ARG 544 13.340 11.768 7.256 165 HH22 ARG 544 1HH1 ARG 544 12.840 13.444 7.168 166 H LYS 545 H LYS 545 5.132 8.119 6.228 167 HA LYS 545 HA LYS 545 3.854 6.030 7.816 168 HB2 LYS 545 1HB LYS 545 3.061 7.566 5.315 169 HB3 LYS 545 2HB LYS 545 2.067 6.281 6.022 170 HG2 LYS 545 1HG LYS 545 2.092 7.474 8.215 171 HG3 LYS 545 2HG LYS 545 3.010 8.791 7.478 172 HD2 LYS 545 1HD LYS 545 1.065 8.941 5.763 173 HD3 LYS 545 2HD LYS 545 0.207 7.875 6.888 174 HE2 LYS 545 1HE LYS 545 1.281 10.671 7.426 175 HE3 LYS 545 2HE LYS 545 -0.421 10.192 7.315 176 HZ1 LYS 545 3HZ LYS 545 -0.081 8.840 9.300 177 HZ2 LYS 545 1HZ LYS 545 1.485 9.362 9.417 178 HZ3 LYS 545 2HZ LYS 545 0.252 10.414 9.595 179 H LEU 546 H LEU 546 3.901 3.990 7.458 180 HA LEU 546 HA LEU 546 5.821 2.735 5.880 181 HG LEU 546 HG LEU 546 4.221 -0.050 5.689 182 HB2 LEU 546 1HB LEU 546 4.853 1.879 7.968 183 HB3 LEU 546 2HB LEU 546 3.281 1.716 7.193 184 HD11 LEU 546 1HD1 LEU 546 6.436 -1.083 6.456 185 HD12 LEU 546 2HD1 LEU 546 6.554 0.447 5.608 186 HD13 LEU 546 3HD1 LEU 546 6.711 0.379 7.389 187 HD21 LEU 546 3HD2 LEU 546 4.744 -0.550 8.636 188 HD22 LEU 546 1HD2 LEU 546 3.123 -0.563 7.929 189 HD23 LEU 546 2HD2 LEU 546 4.324 -1.780 7.431 190 H MET 547 H MET 547 5.899 2.472 3.732 191 HA MET 547 HA MET 547 3.405 2.311 2.123 192 HB2 MET 547 1HB MET 547 5.068 3.949 1.428 193 HB3 MET 547 2HB MET 547 6.290 2.692 1.254 194 HG2 MET 547 1HG MET 547 4.952 1.567 -0.467 195 HG3 MET 547 2HG MET 547 3.630 2.708 -0.242 196 HE1 MET 547 3HE MET 547 3.525 5.069 -1.056 197 HE2 MET 547 1HE MET 547 5.002 5.614 -0.232 198 HE3 MET 547 2HE MET 547 4.789 5.927 -1.967 199 HA PRO 548 HA PRO 548 4.548 -2.154 2.129 200 HB2 PRO 548 1HB PRO 548 2.063 -3.072 1.305 201 HB3 PRO 548 2HB PRO 548 2.559 -2.877 2.999 202 HG2 PRO 548 1HG PRO 548 1.033 -0.968 1.269 203 HG3 PRO 548 2HG PRO 548 0.673 -1.475 2.951 204 HD2 PRO 548 1HD PRO 548 1.891 0.897 2.363 205 HD3 PRO 548 2HD PRO 548 2.399 -0.038 3.783 206 H ILE 549 H ILE 549 4.856 -3.470 0.218 207 HA ILE 549 HA ILE 549 4.199 -2.277 -2.426 208 HB ILE 549 HB ILE 549 6.871 -3.108 -1.269 209 HG12 ILE 549 1HG1 ILE 549 6.843 -0.832 -3.079 210 HG13 ILE 549 2HG1 ILE 549 5.562 -0.602 -1.908 211 HG21 ILE 549 1HG2 ILE 549 7.828 -3.036 -3.500 212 HG22 ILE 549 2HG2 ILE 549 6.748 -4.399 -3.329 213 HG23 ILE 549 3HG2 ILE 549 6.183 -2.974 -4.224 214 HD11 ILE 549 3HD1 ILE 549 7.503 0.331 -1.194 215 HD12 ILE 549 1HD1 ILE 549 7.095 -1.053 -0.097 216 HD13 ILE 549 2HD1 ILE 549 8.428 -1.172 -1.273 217 H CYS 550 H CYS 550 3.456 -3.830 -3.861 218 HA CYS 550 HA CYS 550 3.489 -6.671 -3.044 219 HG CYS 550 HG CYS 550 1.814 -8.038 -3.624 220 HB2 CYS 550 1HB CYS 550 1.507 -5.503 -4.285 221 HB3 CYS 550 2HB CYS 550 2.531 -5.584 -5.727 222 H MET 551 H MET 551 5.371 -7.729 -3.421 223 HA MET 551 HA MET 551 7.553 -6.831 -4.960 224 HB2 MET 551 1HB MET 551 6.712 -9.622 -4.110 225 HB3 MET 551 2HB MET 551 8.267 -9.269 -4.830 226 HG2 MET 551 1HG MET 551 7.309 -7.940 -2.280 227 HG3 MET 551 2HG MET 551 8.041 -9.543 -2.344 228 HE1 MET 551 3HE MET 551 10.824 -9.457 -1.547 229 HE2 MET 551 1HE MET 551 10.985 -7.831 -0.859 230 HE3 MET 551 2HE MET 551 9.479 -8.723 -0.634 231 H ASP 552 H ASP 552 4.701 -8.532 -5.895 232 HA ASP 552 HA ASP 552 5.496 -9.921 -8.210 233 HB2 ASP 552 1HB ASP 552 3.346 -9.998 -6.858 234 HB3 ASP 552 2HB ASP 552 2.804 -8.587 -7.755 235 H VAL 553 H VAL 553 5.126 -6.444 -7.888 236 HA VAL 553 HA VAL 553 4.636 -6.170 -10.804 237 HB VAL 553 HB VAL 553 4.113 -4.149 -8.616 238 HG11 VAL 553 1HG1 VAL 553 4.347 -3.251 -10.977 239 HG12 VAL 553 2HG1 VAL 553 3.026 -4.341 -11.469 240 HG13 VAL 553 3HG1 VAL 553 2.719 -3.051 -10.308 241 HG21 VAL 553 3HG2 VAL 553 2.637 -6.052 -8.205 242 HG22 VAL 553 1HG2 VAL 553 1.678 -4.807 -9.004 243 HG23 VAL 553 2HG2 VAL 553 2.269 -6.198 -9.931 244 H ARG 554 H ARG 554 6.701 -6.607 -11.301 245 HA ARG 554 HA ARG 554 9.009 -5.706 -10.113 246 HE ARG 554 HE ARG 554 9.806 -8.502 -14.568 247 HB2 ARG 554 1HB ARG 554 10.254 -6.449 -11.953 248 HB3 ARG 554 2HB ARG 554 8.943 -7.568 -11.631 249 HG2 ARG 554 1HG ARG 554 8.045 -7.313 -13.690 250 HG3 ARG 554 2HG ARG 554 8.088 -5.571 -13.609 251 HD2 ARG 554 1HD ARG 554 9.615 -5.658 -15.218 252 HD3 ARG 554 2HD ARG 554 10.762 -6.045 -13.949 253 HH11 ARG 554 2HH2 ARG 554 11.165 -5.890 -16.608 254 HH12 ARG 554 1HH2 ARG 554 11.332 -6.846 -18.015 255 HH21 ARG 554 2HH1 ARG 554 10.058 -9.818 -16.484 256 HH22 ARG 554 1HH1 ARG 554 11.011 -9.206 -17.808 257 H ALA 555 H ALA 555 7.201 -3.771 -12.477 258 HA ALA 555 HA ALA 555 9.391 -2.037 -13.132 259 HB1 ALA 555 1HB ALA 555 6.383 -1.487 -13.159 260 HB2 ALA 555 2HB ALA 555 7.631 -0.487 -13.930 261 HB3 ALA 555 3HB ALA 555 7.353 -2.140 -14.504 262 H ILE 556 H ILE 556 6.906 -1.951 -10.584 263 HA ILE 556 HA ILE 556 7.588 0.587 -9.445 264 HB ILE 556 HB ILE 556 6.323 -1.882 -8.170 265 HG12 ILE 556 1HG1 ILE 556 4.969 0.491 -9.542 266 HG13 ILE 556 2HG1 ILE 556 5.042 -1.150 -10.172 267 HG21 ILE 556 1HG2 ILE 556 5.729 0.938 -7.266 268 HG22 ILE 556 2HG2 ILE 556 5.516 -0.598 -6.414 269 HG23 ILE 556 3HG2 ILE 556 7.129 0.069 -6.616 270 HD11 ILE 556 3HD1 ILE 556 3.553 -0.275 -7.663 271 HD12 ILE 556 1HD1 ILE 556 2.865 -0.806 -9.203 272 HD13 ILE 556 2HD1 ILE 556 3.758 -1.950 -8.186 273 H MET 557 H MET 557 8.667 -2.745 -8.941 274 HA MET 557 HA MET 557 10.363 -2.303 -6.738 275 HB2 MET 557 1HB MET 557 10.500 -4.434 -8.910 276 HB3 MET 557 2HB MET 557 11.433 -4.489 -7.440 277 HG2 MET 557 1HG MET 557 8.481 -4.103 -7.092 278 HG3 MET 557 2HG MET 557 8.970 -5.620 -7.779 279 HE1 MET 557 3HE MET 557 10.081 -3.257 -4.661 280 HE2 MET 557 1HE MET 557 10.849 -4.525 -3.688 281 HE3 MET 557 2HE MET 557 11.587 -4.034 -5.222 282 H ALA 558 H ALA 558 11.190 -2.182 -10.262 283 HA ALA 558 HA ALA 558 13.987 -1.621 -9.803 284 HB1 ALA 558 1HB ALA 558 13.923 -0.639 -12.093 285 HB2 ALA 558 2HB ALA 558 13.215 -2.278 -12.033 286 HB3 ALA 558 3HB ALA 558 12.163 -0.841 -12.104 287 H THR 559 H THR 559 11.102 0.501 -10.240 288 HA THR 559 HA THR 559 12.445 2.959 -10.200 289 HB THR 559 HB THR 559 9.656 1.985 -9.559 290 HG1 THR 559 1HG THR 559 9.292 2.943 -11.528 291 HG21 THR 559 3HG2 THR 559 10.518 4.900 -9.432 292 HG22 THR 559 1HG2 THR 559 8.848 4.285 -9.444 293 HG23 THR 559 2HG2 THR 559 9.876 3.915 -8.075 294 H ILE 560 H ILE 560 11.254 1.060 -7.376 295 HA ILE 560 HA ILE 560 12.185 3.045 -5.503 296 HB ILE 560 HB ILE 560 11.189 0.178 -5.288 297 HG12 ILE 560 1HG1 ILE 560 10.121 2.944 -4.511 298 HG13 ILE 560 2HG1 ILE 560 9.674 2.054 -5.943 299 HG21 ILE 560 1HG2 ILE 560 11.122 0.390 -2.852 300 HG22 ILE 560 2HG2 ILE 560 12.789 0.537 -3.388 301 HG23 ILE 560 3HG2 ILE 560 11.873 1.991 -2.919 302 HD11 ILE 560 3HD1 ILE 560 8.693 0.269 -4.545 303 HD12 ILE 560 1HD1 ILE 560 8.976 1.291 -3.111 304 HD13 ILE 560 2HD1 ILE 560 7.911 1.859 -4.433 305 H GLN 561 H GLN 561 13.571 -0.130 -6.608 306 HA GLN 561 HA GLN 561 15.895 0.016 -5.001 307 HB2 GLN 561 1HB GLN 561 15.231 -1.377 -7.626 308 HB3 GLN 561 2HB GLN 561 16.790 -1.582 -6.813 309 HG2 GLN 561 1HG GLN 561 15.761 -2.312 -4.801 310 HG3 GLN 561 2HG GLN 561 14.130 -2.108 -5.437 311 HE21 GLN 561 1HE2 GLN 561 13.676 -3.241 -7.500 312 HE22 GLN 561 2HE2 GLN 561 14.359 -4.836 -7.800 313 H ARG 562 H ARG 562 15.204 1.760 -7.955 314 HA ARG 562 HA ARG 562 17.952 2.389 -8.601 315 HE ARG 562 HE ARG 562 17.162 7.020 -10.637 316 HB2 ARG 562 1HB ARG 562 16.621 2.734 -10.419 317 HB3 ARG 562 2HB ARG 562 15.200 3.192 -9.475 318 HG2 ARG 562 1HG ARG 562 15.934 5.312 -9.068 319 HG3 ARG 562 2HG ARG 562 17.586 5.007 -9.690 320 HD2 ARG 562 1HD ARG 562 16.501 4.606 -11.970 321 HD3 ARG 562 2HD ARG 562 15.011 5.289 -11.293 322 HH11 ARG 562 2HH2 ARG 562 15.272 6.327 -13.638 323 HH12 ARG 562 1HH2 ARG 562 16.056 7.599 -14.488 324 HH21 ARG 562 2HH1 ARG 562 18.038 8.788 -11.846 325 HH22 ARG 562 1HH1 ARG 562 17.691 8.898 -13.521 326 H LYS 563 H LYS 563 15.350 4.072 -6.775 327 HA LYS 563 HA LYS 563 17.063 6.269 -5.971 328 HB2 LYS 563 1HB LYS 563 14.632 6.417 -6.451 329 HB3 LYS 563 2HB LYS 563 14.288 5.426 -5.042 330 HG2 LYS 563 1HG LYS 563 15.286 7.173 -3.571 331 HG3 LYS 563 2HG LYS 563 15.695 8.139 -5.017 332 HD2 LYS 563 1HD LYS 563 13.305 8.302 -5.604 333 HD3 LYS 563 2HD LYS 563 12.903 7.194 -4.330 334 HE2 LYS 563 1HE LYS 563 12.248 9.323 -3.559 335 HE3 LYS 563 2HE LYS 563 13.678 8.901 -2.629 336 HZ1 LYS 563 3HZ LYS 563 13.795 10.607 -5.047 337 HZ2 LYS 563 1HZ LYS 563 13.551 11.213 -3.534 338 HZ3 LYS 563 2HZ LYS 563 14.947 10.452 -3.872 339 H TYR 564 H TYR 564 15.325 3.775 -4.104 340 HA TYR 564 HA TYR 564 17.087 4.090 -1.772 341 HD1 TYR 564 1HD TYR 564 15.035 5.006 0.412 342 HD2 TYR 564 2HD TYR 564 13.106 3.904 -3.280 343 HE1 TYR 564 1HE TYR 564 13.475 6.950 0.630 344 HE2 TYR 564 2HE TYR 564 11.538 5.823 -3.042 345 HH TYR 564 HH TYR 564 10.882 7.670 -1.685 346 HB2 TYR 564 1HB TYR 564 14.590 2.371 -2.141 347 HB3 TYR 564 2HB TYR 564 15.394 2.765 -0.632 348 H LYS 565 H LYS 565 18.999 3.152 -2.992 349 HA LYS 565 HA LYS 565 18.592 0.445 -4.040 350 HB2 LYS 565 1HB LYS 565 19.631 2.323 -5.400 351 HB3 LYS 565 2HB LYS 565 20.901 2.464 -4.188 352 HG2 LYS 565 1HG LYS 565 21.552 0.134 -4.608 353 HG3 LYS 565 2HG LYS 565 20.321 -0.019 -5.857 354 HD2 LYS 565 1HD LYS 565 22.281 0.434 -7.092 355 HD3 LYS 565 2HD LYS 565 21.547 2.035 -6.968 356 HE2 LYS 565 1HE LYS 565 23.466 2.757 -5.954 357 HE3 LYS 565 2HE LYS 565 23.025 1.752 -4.579 358 HZ1 LYS 565 3HZ LYS 565 24.198 -0.092 -5.758 359 HZ2 LYS 565 1HZ LYS 565 24.827 1.050 -6.796 360 HZ3 LYS 565 2HZ LYS 565 25.157 1.118 -5.199 361 H GLY 566 H GLY 566 20.376 2.143 -1.440 362 HA2 GLY 566 1HA GLY 566 22.274 0.072 -1.081 363 HA3 GLY 566 2HA GLY 566 21.849 1.279 0.146 364 H ILE 567 H ILE 567 18.932 0.157 -0.229 365 HA ILE 567 HA ILE 567 18.970 -1.907 1.811 366 HB ILE 567 HB ILE 567 17.332 -0.285 1.913 367 HG12 ILE 567 1HG1 ILE 567 16.688 -2.827 2.155 368 HG13 ILE 567 2HG1 ILE 567 15.623 -1.463 2.424 369 HG21 ILE 567 1HG2 ILE 567 15.510 0.138 0.246 370 HG22 ILE 567 2HG2 ILE 567 17.114 0.722 -0.261 371 HG23 ILE 567 3HG2 ILE 567 16.438 -0.765 -0.949 372 HD11 ILE 567 3HD1 ILE 567 14.481 -1.749 0.342 373 HD12 ILE 567 1HD1 ILE 567 15.737 -2.842 -0.274 374 HD13 ILE 567 2HD1 ILE 567 14.615 -3.369 1.032 375 H LYS 568 H LYS 568 18.177 -4.071 1.441 376 HA LYS 568 HA LYS 568 18.345 -5.064 -1.368 377 HB2 LYS 568 1HB LYS 568 18.926 -6.542 1.230 378 HB3 LYS 568 2HB LYS 568 18.493 -7.334 -0.275 379 HG2 LYS 568 1HG LYS 568 20.577 -7.402 -0.902 380 HG3 LYS 568 2HG LYS 568 20.618 -5.650 -1.037 381 HD2 LYS 568 1HD LYS 568 21.151 -7.198 1.542 382 HD3 LYS 568 2HD LYS 568 22.426 -6.755 0.407 383 HE2 LYS 568 1HE LYS 568 20.566 -4.727 1.711 384 HE3 LYS 568 2HE LYS 568 22.130 -5.192 2.387 385 HZ1 LYS 568 3HZ LYS 568 22.267 -3.200 1.032 386 HZ2 LYS 568 1HZ LYS 568 23.208 -4.405 0.434 387 HZ3 LYS 568 2HZ LYS 568 21.783 -4.004 -0.311 388 H ILE 569 H ILE 569 16.465 -6.089 -2.015 389 HA ILE 569 HA ILE 569 13.999 -5.457 -0.560 390 HB ILE 569 HB ILE 569 14.707 -6.961 -3.144 391 HG12 ILE 569 1HG1 ILE 569 15.274 -4.653 -3.410 392 HG13 ILE 569 2HG1 ILE 569 13.767 -4.940 -4.272 393 HG21 ILE 569 1HG2 ILE 569 12.312 -6.718 -3.793 394 HG22 ILE 569 2HG2 ILE 569 12.596 -7.820 -2.471 395 HG23 ILE 569 3HG2 ILE 569 11.950 -6.191 -2.132 396 HD11 ILE 569 3HD1 ILE 569 13.652 -2.802 -3.116 397 HD12 ILE 569 1HD1 ILE 569 12.525 -3.938 -2.355 398 HD13 ILE 569 2HD1 ILE 569 14.058 -3.564 -1.569 399 H GLN 570 H GLN 570 12.831 -6.822 0.662 400 HA GLN 570 HA GLN 570 13.597 -9.596 1.076 401 HB2 GLN 570 1HB GLN 570 14.279 -9.251 3.367 402 HB3 GLN 570 2HB GLN 570 15.140 -8.038 2.454 403 HG2 GLN 570 1HG GLN 570 12.973 -6.556 3.089 404 HG3 GLN 570 2HG GLN 570 12.931 -7.679 4.442 405 HE21 GLN 570 1HE2 GLN 570 15.128 -5.414 2.632 406 HE22 GLN 570 2HE2 GLN 570 15.809 -4.733 4.072 407 H GLU 571 H GLU 571 11.704 -10.753 1.941 408 HA GLU 571 HA GLU 571 9.236 -9.308 1.471 409 HB2 GLU 571 1HB GLU 571 10.283 -12.120 1.737 410 HB3 GLU 571 2HB GLU 571 8.630 -11.861 2.207 411 HG2 GLU 571 1HG GLU 571 7.986 -11.069 0.030 412 HG3 GLU 571 2HG GLU 571 9.681 -10.897 -0.443 413 H GLY 572 H GLY 572 9.406 -7.793 3.265 414 HA2 GLY 572 1HA GLY 572 8.649 -8.551 5.901 415 HA3 GLY 572 2HA GLY 572 10.416 -8.538 5.762 416 H ILE 573 H ILE 573 9.763 -6.809 7.490 417 HA ILE 573 HA ILE 573 8.848 -4.210 6.462 418 HB ILE 573 HB ILE 573 9.649 -5.276 9.194 419 HG12 ILE 573 1HG1 ILE 573 7.401 -5.954 8.148 420 HG13 ILE 573 2HG1 ILE 573 7.399 -5.334 9.778 421 HG21 ILE 573 1HG2 ILE 573 10.303 -2.983 9.314 422 HG22 ILE 573 2HG2 ILE 573 8.838 -2.436 8.463 423 HG23 ILE 573 3HG2 ILE 573 8.731 -3.101 10.104 424 HD11 ILE 573 3HD1 ILE 573 6.493 -3.210 9.101 425 HD12 ILE 573 1HD1 ILE 573 6.772 -3.583 7.390 426 HD13 ILE 573 2HD1 ILE 573 5.539 -4.473 8.318 427 H VAL 574 H VAL 574 10.147 -2.547 6.023 428 HA VAL 574 HA VAL 574 13.112 -2.832 6.294 429 HB VAL 574 HB VAL 574 11.450 -2.019 3.899 430 HG11 VAL 574 1HG1 VAL 574 13.733 -0.924 4.096 431 HG12 VAL 574 2HG1 VAL 574 14.431 -2.555 4.003 432 HG13 VAL 574 3HG1 VAL 574 13.465 -1.890 2.657 433 HG21 VAL 574 3HG2 VAL 574 12.658 -4.189 2.963 434 HG22 VAL 574 1HG2 VAL 574 12.732 -4.610 4.684 435 HG23 VAL 574 2HG2 VAL 574 11.172 -4.308 3.919 436 H ASP 575 H ASP 575 13.241 -1.224 8.004 437 HA ASP 575 HA ASP 575 12.100 1.467 7.480 438 HB2 ASP 575 1HB ASP 575 12.078 0.749 9.796 439 HB3 ASP 575 2HB ASP 575 13.824 0.557 9.792 440 H TYR 576 H TYR 576 13.158 1.529 5.401 441 HA TYR 576 HA TYR 576 15.796 2.856 5.674 442 HD1 TYR 576 2HD TYR 576 18.396 1.557 5.144 443 HD2 TYR 576 1HD TYR 576 15.934 2.142 1.663 444 HE1 TYR 576 2HE TYR 576 20.376 2.347 3.916 445 HE2 TYR 576 1HE TYR 576 17.904 3.004 0.413 446 HH TYR 576 HH TYR 576 21.131 3.307 1.955 447 HB2 TYR 576 1HB TYR 576 16.185 0.518 4.931 448 HB3 TYR 576 2HB TYR 576 15.155 0.800 3.530 449 H GLY 577 H GLY 577 14.919 4.891 5.403 450 HA2 GLY 577 1HA GLY 577 14.576 6.686 3.945 451 HA3 GLY 577 2HA GLY 577 14.093 5.575 2.651 452 H VAL 578 H VAL 578 11.974 4.474 2.891 453 HA VAL 578 HA VAL 578 10.118 6.529 4.007 454 HB VAL 578 HB VAL 578 10.638 5.166 1.434 455 HG11 VAL 578 1HG1 VAL 578 8.450 4.957 0.529 456 HG12 VAL 578 2HG1 VAL 578 8.649 3.880 1.938 457 HG13 VAL 578 3HG1 VAL 578 7.709 5.366 2.084 458 HG21 VAL 578 3HG2 VAL 578 9.591 7.175 0.543 459 HG22 VAL 578 1HG2 VAL 578 9.109 7.640 2.185 460 HG23 VAL 578 2HG2 VAL 578 10.837 7.521 1.774 461 H ARG 579 H ARG 579 10.995 3.863 4.967 462 HA ARG 579 HA ARG 579 10.375 2.005 6.007 463 HE ARG 579 HE ARG 579 11.796 4.845 9.253 464 HB2 ARG 579 1HB ARG 579 8.056 3.763 6.734 465 HB3 ARG 579 2HB ARG 579 8.101 2.063 7.245 466 HG2 ARG 579 1HG ARG 579 8.997 3.090 9.084 467 HG3 ARG 579 2HG ARG 579 10.450 2.652 8.225 468 HD2 ARG 579 1HD ARG 579 10.582 4.978 7.316 469 HD3 ARG 579 2HD ARG 579 9.100 5.395 8.179 470 HH11 ARG 579 2HH2 ARG 579 8.376 5.068 10.190 471 HH12 ARG 579 1HH2 ARG 579 8.756 5.281 11.854 472 HH21 ARG 579 2HH1 ARG 579 12.236 5.495 11.406 473 HH22 ARG 579 1HH1 ARG 579 10.934 5.563 12.558 474 H PHE 580 H PHE 580 10.095 0.286 4.653 475 HA PHE 580 HA PHE 580 7.702 0.321 2.879 476 HD1 PHE 580 1HD PHE 580 7.963 1.179 0.542 477 HD2 PHE 580 2HD PHE 580 12.016 0.665 1.922 478 HE1 PHE 580 1HE PHE 580 8.694 3.034 -0.921 479 HE2 PHE 580 2HE PHE 580 12.730 2.587 0.536 480 HZ PHE 580 HZ PHE 580 11.071 3.763 -0.910 481 HB2 PHE 580 1HB PHE 580 10.386 -1.000 2.403 482 HB3 PHE 580 2HB PHE 580 8.989 -1.138 1.370 483 H PHE 581 H PHE 581 6.643 -1.732 2.569 484 HA PHE 581 HA PHE 581 7.571 -3.953 4.240 485 HD1 PHE 581 1HD PHE 581 7.043 -5.722 5.364 486 HD2 PHE 581 2HD PHE 581 3.074 -4.172 5.562 487 HE1 PHE 581 1HE PHE 581 6.287 -7.859 6.332 488 HE2 PHE 581 2HE PHE 581 2.278 -6.318 6.580 489 HZ PHE 581 HZ PHE 581 3.900 -8.170 6.956 490 HB2 PHE 581 1HB PHE 581 5.789 -2.831 5.570 491 HB3 PHE 581 2HB PHE 581 4.675 -3.026 4.249 492 H PHE 582 H PHE 582 8.318 -5.018 2.482 493 HA PHE 582 HA PHE 582 6.755 -5.179 0.039 494 HD1 PHE 582 1HD PHE 582 8.651 -4.600 -1.987 495 HD2 PHE 582 2HD PHE 582 10.716 -5.034 1.735 496 HE1 PHE 582 1HE PHE 582 9.979 -2.503 -2.474 497 HE2 PHE 582 2HE PHE 582 12.022 -2.964 1.259 498 HZ PHE 582 HZ PHE 582 11.657 -1.693 -0.822 499 HB2 PHE 582 1HB PHE 582 9.158 -6.779 0.899 500 HB3 PHE 582 2HB PHE 582 8.480 -6.645 -0.719 501 H TYR 583 H TYR 583 5.383 -6.768 -0.551 502 HA TYR 583 HA TYR 583 5.098 -9.180 1.142 503 HD1 TYR 583 1HD TYR 583 1.482 -9.052 -0.911 504 HD2 TYR 583 2HD TYR 583 3.003 -5.357 0.675 505 HE1 TYR 583 1HE TYR 583 0.031 -7.780 -2.467 506 HE2 TYR 583 2HE TYR 583 1.443 -4.083 -0.677 507 HH TYR 583 HH TYR 583 -0.234 -4.200 -2.411 508 HB2 TYR 583 1HB TYR 583 2.725 -8.964 1.270 509 HB3 TYR 583 2HB TYR 583 3.427 -7.483 1.853 510 H THR 584 H THR 584 3.395 -10.718 0.030 511 HA THR 584 HA THR 584 4.358 -11.065 -2.737 512 HB THR 584 HB THR 584 3.576 -13.546 -1.802 513 HG1 THR 584 1HG THR 584 3.571 -13.507 0.348 514 HG21 THR 584 3HG2 THR 584 6.014 -13.931 -1.443 515 HG22 THR 584 1HG2 THR 584 5.704 -13.028 -2.924 516 HG23 THR 584 2HG2 THR 584 6.291 -12.169 -1.479 517 H SER 585 H SER 585 2.874 -11.235 -4.365 518 HA SER 585 HA SER 585 0.143 -10.545 -3.965 519 HG SER 585 HG SER 585 2.014 -11.921 -7.334 520 HB2 SER 585 1HB SER 585 -0.053 -11.262 -6.345 521 HB3 SER 585 2HB SER 585 1.277 -10.168 -6.066 522 H LYS 586 H LYS 586 1.844 -13.669 -3.964 523 HA LYS 586 HA LYS 586 -0.230 -15.453 -4.335 524 HB2 LYS 586 1HB LYS 586 0.943 -17.144 -3.600 525 HB3 LYS 586 2HB LYS 586 1.947 -16.001 -4.493 526 HG2 LYS 586 1HG LYS 586 3.252 -15.636 -2.914 527 HG3 LYS 586 2HG LYS 586 2.045 -15.294 -1.716 528 HD2 LYS 586 1HD LYS 586 1.665 -17.898 -1.674 529 HD3 LYS 586 2HD LYS 586 3.340 -17.945 -2.291 530 HE2 LYS 586 1HE LYS 586 3.910 -16.360 -0.336 531 HE3 LYS 586 2HE LYS 586 2.295 -16.665 0.282 532 HZ1 LYS 586 3HZ LYS 586 3.951 -18.037 1.319 533 HZ2 LYS 586 1HZ LYS 586 2.880 -19.000 0.530 534 HZ3 LYS 586 2HZ LYS 586 4.384 -18.711 -0.104 535 H GLU 587 H GLU 587 0.618 -13.731 -1.536 536 HA GLU 587 HA GLU 587 -0.404 -15.396 0.440 537 HB2 GLU 587 1HB GLU 587 0.804 -12.828 0.398 538 HB3 GLU 587 2HB GLU 587 -0.743 -12.537 1.181 539 HG2 GLU 587 1HG GLU 587 0.954 -13.084 2.844 540 HG3 GLU 587 2HG GLU 587 -0.225 -14.349 2.819 541 HA PRO 588 HA PRO 588 -4.883 -14.685 0.266 542 HB2 PRO 588 1HB PRO 588 -4.962 -14.756 3.228 543 HB3 PRO 588 2HB PRO 588 -5.768 -15.846 2.073 544 HG2 PRO 588 1HG PRO 588 -3.660 -16.669 3.626 545 HG3 PRO 588 2HG PRO 588 -3.881 -17.264 1.947 546 HD2 PRO 588 1HD PRO 588 -2.201 -14.949 2.908 547 HD3 PRO 588 2HD PRO 588 -1.623 -16.283 1.900 548 H VAL 589 H VAL 589 -5.633 -12.549 0.040 549 HA VAL 589 HA VAL 589 -4.449 -10.269 1.196 550 HB VAL 589 HB VAL 589 -7.390 -10.694 0.502 551 HG11 VAL 589 1HG1 VAL 589 -5.813 -8.081 0.819 552 HG12 VAL 589 2HG1 VAL 589 -7.511 -8.251 0.297 553 HG13 VAL 589 3HG1 VAL 589 -7.055 -8.690 1.929 554 HG21 VAL 589 3HG2 VAL 589 -5.050 -9.570 -1.078 555 HG22 VAL 589 1HG2 VAL 589 -5.894 -11.110 -1.419 556 HG23 VAL 589 2HG2 VAL 589 -6.726 -9.585 -1.633 557 H ALA 590 H ALA 590 -6.915 -12.494 2.556 558 HA ALA 590 HA ALA 590 -7.433 -11.258 4.942 559 HB1 ALA 590 1HB ALA 590 -7.789 -13.538 5.874 560 HB2 ALA 590 2HB ALA 590 -8.506 -13.344 4.260 561 HB3 ALA 590 3HB ALA 590 -6.977 -14.227 4.458 562 H SER 591 H SER 591 -4.487 -13.226 4.307 563 HA SER 591 HA SER 591 -3.530 -13.134 7.021 564 HG SER 591 HG SER 591 -1.730 -15.247 6.618 565 HB2 SER 591 1HB SER 591 -2.947 -14.775 5.081 566 HB3 SER 591 2HB SER 591 -1.846 -13.515 4.509 567 H ILE 592 H ILE 592 -2.695 -11.275 3.978 568 HA ILE 592 HA ILE 592 -0.738 -9.752 5.240 569 HB ILE 592 HB ILE 592 -1.555 -10.444 2.711 570 HG12 ILE 592 1HG1 ILE 592 0.702 -10.012 3.471 571 HG13 ILE 592 2HG1 ILE 592 0.359 -9.256 1.920 572 HG21 ILE 592 1HG2 ILE 592 -2.138 -7.499 2.863 573 HG22 ILE 592 2HG2 ILE 592 -1.834 -8.451 1.388 574 HG23 ILE 592 3HG2 ILE 592 -3.255 -8.789 2.410 575 HD11 ILE 592 3HD1 ILE 592 1.627 -7.786 3.516 576 HD12 ILE 592 1HD1 ILE 592 0.100 -7.069 2.970 577 HD13 ILE 592 2HD1 ILE 592 0.211 -7.816 4.587 578 H ILE 593 H ILE 593 -4.238 -9.282 4.804 579 HA ILE 593 HA ILE 593 -4.453 -6.787 6.108 580 HB ILE 593 HB ILE 593 -6.323 -9.120 5.636 581 HG12 ILE 593 1HG1 ILE 593 -6.110 -6.203 4.784 582 HG13 ILE 593 2HG1 ILE 593 -5.876 -7.645 3.800 583 HG21 ILE 593 1HG2 ILE 593 -8.180 -7.939 6.694 584 HG22 ILE 593 2HG2 ILE 593 -6.970 -8.381 7.866 585 HG23 ILE 593 3HG2 ILE 593 -7.038 -6.705 7.288 586 HD11 ILE 593 3HD1 ILE 593 -8.310 -8.206 4.078 587 HD12 ILE 593 1HD1 ILE 593 -8.503 -6.626 4.881 588 HD13 ILE 593 2HD1 ILE 593 -7.989 -6.701 3.191 589 H THR 594 H THR 594 -4.505 -10.116 7.660 590 HA THR 594 HA THR 594 -4.718 -9.254 10.309 591 HB THR 594 HB THR 594 -2.916 -11.503 9.261 592 HG1 THR 594 1HG THR 594 -4.606 -12.777 9.276 593 HG21 THR 594 3HG2 THR 594 -3.464 -12.570 11.435 594 HG22 THR 594 1HG2 THR 594 -2.616 -11.041 11.656 595 HG23 THR 594 2HG2 THR 594 -4.373 -11.104 11.893 596 H LYS 595 H LYS 595 -1.687 -9.524 8.321 597 HA LYS 595 HA LYS 595 0.073 -8.650 10.356 598 HB2 LYS 595 1HB LYS 595 0.144 -8.618 7.305 599 HB3 LYS 595 2HB LYS 595 1.493 -8.071 8.297 600 HG2 LYS 595 1HG LYS 595 1.981 -10.140 9.102 601 HG3 LYS 595 2HG LYS 595 0.321 -10.719 9.056 602 HD2 LYS 595 1HD LYS 595 0.452 -10.966 6.593 603 HD3 LYS 595 2HD LYS 595 2.176 -10.498 6.659 604 HE2 LYS 595 1HE LYS 595 2.631 -12.346 8.192 605 HE3 LYS 595 2HE LYS 595 0.923 -12.763 8.288 606 HZ1 LYS 595 3HZ LYS 595 2.334 -14.155 6.852 607 HZ2 LYS 595 1HZ LYS 595 1.001 -13.602 6.092 608 HZ3 LYS 595 2HZ LYS 595 2.504 -12.927 5.800 609 H LEU 596 H LEU 596 -1.465 -6.737 7.715 610 HA LEU 596 HA LEU 596 -0.392 -4.260 8.615 611 HG LEU 596 HG LEU 596 -0.869 -5.655 5.832 612 HB2 LEU 596 1HB LEU 596 -2.914 -4.843 6.998 613 HB3 LEU 596 2HB LEU 596 -2.189 -3.247 7.168 614 HD11 LEU 596 1HD1 LEU 596 -1.249 -4.530 3.772 615 HD12 LEU 596 2HD1 LEU 596 -2.802 -4.557 4.634 616 HD13 LEU 596 3HD1 LEU 596 -1.817 -3.065 4.600 617 HD21 LEU 596 3HD2 LEU 596 0.124 -2.845 6.285 618 HD22 LEU 596 1HD2 LEU 596 0.881 -4.359 6.796 619 HD23 LEU 596 2HD2 LEU 596 0.801 -3.984 5.066 620 H ASN 597 H ASN 597 -3.341 -5.922 9.576 621 HA ASN 597 HA ASN 597 -4.561 -3.811 11.061 622 HB2 ASN 597 1HB ASN 597 -4.622 -6.857 11.196 623 HB3 ASN 597 2HB ASN 597 -5.207 -5.959 12.576 624 HD21 ASN 597 1HD2 ASN 597 -6.257 -7.290 9.731 625 HD22 ASN 597 2HD2 ASN 597 -7.752 -6.395 9.755 626 H SER 598 H SER 598 -2.591 -6.460 11.923 627 HA SER 598 HA SER 598 -2.463 -6.191 14.690 628 HG SER 598 HG SER 598 -0.153 -7.037 12.053 629 HB2 SER 598 1HB SER 598 -0.605 -7.716 14.781 630 HB3 SER 598 2HB SER 598 -1.671 -8.201 13.468 631 H LEU 599 H LEU 599 -0.191 -4.903 12.390 632 HA LEU 599 HA LEU 599 1.615 -3.594 14.173 633 HG LEU 599 HG LEU 599 1.760 -5.465 11.817 634 HB2 LEU 599 1HB LEU 599 0.880 -3.113 11.246 635 HB3 LEU 599 2HB LEU 599 2.316 -2.467 12.028 636 HD11 LEU 599 1HD1 LEU 599 1.905 -4.477 9.555 637 HD12 LEU 599 2HD1 LEU 599 3.484 -3.773 9.956 638 HD13 LEU 599 3HD1 LEU 599 3.272 -5.532 9.916 639 HD21 LEU 599 3HD2 LEU 599 3.343 -4.906 13.566 640 HD22 LEU 599 1HD2 LEU 599 4.159 -5.681 12.210 641 HD23 LEU 599 2HD2 LEU 599 4.296 -3.909 12.438 642 H ASN 600 H ASN 600 -1.349 -2.616 12.517 643 HA ASN 600 HA ASN 600 -2.736 -0.902 12.576 644 HB2 ASN 600 1HB ASN 600 -2.954 -1.667 14.919 645 HB3 ASN 600 2HB ASN 600 -1.837 -0.401 15.408 646 HD21 ASN 600 1HD2 ASN 600 -2.666 1.784 15.483 647 HD22 ASN 600 2HD2 ASN 600 -4.391 2.107 15.393 648 H GLU 601 H GLU 601 0.096 -0.453 11.662 649 HA GLU 601 HA GLU 601 0.588 2.248 12.578 650 HB2 GLU 601 1HB GLU 601 2.242 0.474 10.749 651 HB3 GLU 601 2HB GLU 601 2.722 2.079 11.327 652 HG2 GLU 601 1HG GLU 601 1.887 0.658 13.650 653 HG3 GLU 601 2HG GLU 601 2.829 -0.494 12.720 654 HA PRO 602 HA PRO 602 -1.527 4.102 9.285 655 HB2 PRO 602 1HB PRO 602 -0.259 6.561 8.994 656 HB3 PRO 602 2HB PRO 602 -1.359 6.136 10.331 657 HG2 PRO 602 1HG PRO 602 1.643 6.150 10.333 658 HG3 PRO 602 2HG PRO 602 0.476 6.610 11.632 659 HD2 PRO 602 1HD PRO 602 1.799 4.210 11.589 660 HD3 PRO 602 2HD PRO 602 0.176 4.439 12.309 661 H LEU 603 H LEU 603 -1.450 3.242 7.325 662 HA LEU 603 HA LEU 603 1.074 3.172 5.821 663 HG LEU 603 HG LEU 603 -1.332 0.976 6.946 664 HB2 LEU 603 1HB LEU 603 -1.628 2.180 4.861 665 HB3 LEU 603 2HB LEU 603 -0.034 1.699 4.291 666 HD11 LEU 603 1HD1 LEU 603 -1.392 -1.221 6.057 667 HD12 LEU 603 2HD1 LEU 603 -2.005 -0.164 4.770 668 HD13 LEU 603 3HD1 LEU 603 -0.349 -0.788 4.686 669 HD21 LEU 603 3HD2 LEU 603 1.004 1.220 7.464 670 HD22 LEU 603 1HD2 LEU 603 0.725 -0.506 7.199 671 HD23 LEU 603 2HD2 LEU 603 1.491 0.493 5.923 672 H VAL 604 H VAL 604 1.058 3.639 3.423 673 HA VAL 604 HA VAL 604 -1.085 5.356 2.388 674 HB VAL 604 HB VAL 604 0.378 6.997 3.371 675 HG11 VAL 604 1HG1 VAL 604 2.511 5.718 3.549 676 HG12 VAL 604 2HG1 VAL 604 2.767 5.948 1.817 677 HG13 VAL 604 3HG1 VAL 604 2.717 7.345 2.894 678 HG21 VAL 604 3HG2 VAL 604 0.995 7.048 0.403 679 HG22 VAL 604 1HG2 VAL 604 -0.534 7.573 1.137 680 HG23 VAL 604 2HG2 VAL 604 0.978 8.416 1.545 681 H THR 605 H THR 605 -1.672 3.864 0.788 682 HA THR 605 HA THR 605 0.363 2.896 -1.090 683 HB THR 605 HB THR 605 0.631 1.457 0.839 684 HG1 THR 605 1HG THR 605 0.870 0.499 -1.148 685 HG21 THR 605 3HG2 THR 605 -1.610 1.681 1.895 686 HG22 THR 605 1HG2 THR 605 -2.314 0.712 0.588 687 HG23 THR 605 2HG2 THR 605 -1.138 0.002 1.707 688 H MET 606 H MET 606 -0.861 1.171 -2.535 689 HA MET 606 HA MET 606 -3.483 2.269 -3.402 690 HB2 MET 606 1HB MET 606 -1.804 0.047 -4.649 691 HB3 MET 606 2HB MET 606 -3.238 0.817 -5.342 692 HG2 MET 606 1HG MET 606 -1.989 2.997 -5.361 693 HG3 MET 606 2HG MET 606 -0.563 2.114 -4.866 694 HE1 MET 606 3HE MET 606 -0.859 -0.645 -6.754 695 HE2 MET 606 1HE MET 606 -2.496 -0.219 -7.315 696 HE3 MET 606 2HE MET 606 -1.149 -0.288 -8.469 697 HA PRO 607 HA PRO 607 -5.503 -0.893 -1.156 698 HB2 PRO 607 1HB PRO 607 -7.108 -2.138 -3.222 699 HB3 PRO 607 2HB PRO 607 -7.590 -1.019 -1.949 700 HG2 PRO 607 1HG PRO 607 -7.438 -0.402 -4.716 701 HG3 PRO 607 2HG PRO 607 -7.598 0.768 -3.379 702 HD2 PRO 607 1HD PRO 607 -5.198 -0.009 -4.947 703 HD3 PRO 607 2HD PRO 607 -5.507 1.526 -4.079 704 H ILE 608 H ILE 608 -5.057 -2.940 -0.467 705 HA ILE 608 HA ILE 608 -2.676 -3.990 -1.737 706 HB ILE 608 HB ILE 608 -4.113 -4.535 0.874 707 HG12 ILE 608 1HG1 ILE 608 -3.102 -2.244 0.609 708 HG13 ILE 608 2HG1 ILE 608 -2.522 -3.170 1.978 709 HG21 ILE 608 1HG2 ILE 608 -1.944 -5.594 1.632 710 HG22 ILE 608 2HG2 ILE 608 -2.884 -6.535 0.466 711 HG23 ILE 608 3HG2 ILE 608 -1.443 -5.641 -0.062 712 HD11 ILE 608 3HD1 ILE 608 -0.987 -3.088 -0.649 713 HD12 ILE 608 1HD1 ILE 608 -0.789 -1.902 0.631 714 HD13 ILE 608 2HD1 ILE 608 -0.413 -3.601 0.956 715 H GLY 609 H GLY 609 -5.863 -5.355 -0.837 716 HA2 GLY 609 1HA GLY 609 -5.369 -7.639 -2.655 717 HA3 GLY 609 2HA GLY 609 -6.750 -7.403 -1.568 718 H TYR 610 H TYR 610 -5.240 -6.162 -4.502 719 HA TYR 610 HA TYR 610 -7.839 -5.390 -5.722 720 HD1 TYR 610 2HD TYR 610 -9.155 -3.894 -6.605 721 HD2 TYR 610 1HD TYR 610 -5.278 -2.235 -7.717 722 HE1 TYR 610 2HE TYR 610 -10.211 -2.484 -8.147 723 HE2 TYR 610 1HE TYR 610 -6.356 -1.177 -9.648 724 HH TYR 610 HH TYR 610 -8.324 -0.925 -10.836 725 HB2 TYR 610 1HB TYR 610 -6.760 -3.334 -4.872 726 HB3 TYR 610 2HB TYR 610 -5.347 -3.678 -5.856 727 H VAL 611 H VAL 611 -6.368 -4.712 -8.169 728 HA VAL 611 HA VAL 611 -5.894 -6.972 -9.546 729 HB VAL 611 HB VAL 611 -4.419 -4.317 -9.739 730 HG11 VAL 611 1HG1 VAL 611 -3.143 -5.894 -11.079 731 HG12 VAL 611 2HG1 VAL 611 -4.627 -6.505 -11.844 732 HG13 VAL 611 3HG1 VAL 611 -4.086 -4.844 -12.136 733 HG21 VAL 611 3HG2 VAL 611 -6.132 -3.797 -11.462 734 HG22 VAL 611 1HG2 VAL 611 -6.866 -5.397 -11.233 735 HG23 VAL 611 2HG2 VAL 611 -6.937 -4.201 -9.947 736 H THR 612 H THR 612 -3.543 -5.587 -7.191 737 HA THR 612 HA THR 612 -1.242 -7.041 -7.775 738 HB THR 612 HB THR 612 -1.057 -6.994 -5.196 739 HG1 THR 612 1HG THR 612 -2.620 -5.698 -4.193 740 HG21 THR 612 3HG2 THR 612 -1.538 -4.358 -6.691 741 HG22 THR 612 1HG2 THR 612 -0.607 -4.545 -5.193 742 HG23 THR 612 2HG2 THR 612 -0.014 -5.282 -6.696 743 H HIS 613 H HIS 613 -4.217 -8.032 -6.263 744 HA HIS 613 HA HIS 613 -3.309 -10.800 -5.723 745 HD1 HIS 613 1HD HIS 613 -2.879 -7.963 -2.987 746 HD2 HIS 613 2HD HIS 613 -3.858 -12.067 -2.680 747 HE1 HIS 613 1HE HIS 613 -1.374 -8.978 -1.155 748 HE2 HIS 613 2HE HIS 613 -1.960 -11.539 -1.085 749 HB2 HIS 613 1HB HIS 613 -5.210 -8.927 -4.321 750 HB3 HIS 613 2HB HIS 613 -5.419 -10.653 -4.163 751 H GLY 614 H GLY 614 -4.820 -9.233 -8.183 752 HA2 GLY 614 1HA GLY 614 -6.252 -10.063 -9.815 753 HA3 GLY 614 2HA GLY 614 -6.520 -11.503 -8.840 754 H PHE 615 H PHE 615 -7.090 -8.451 -7.226 755 HA PHE 615 HA PHE 615 -9.966 -9.215 -7.010 756 HD1 PHE 615 2HD PHE 615 -8.359 -10.776 -5.688 757 HD2 PHE 615 1HD PHE 615 -9.723 -7.750 -2.964 758 HE1 PHE 615 2HE PHE 615 -8.259 -12.417 -3.845 759 HE2 PHE 615 1HE PHE 615 -9.512 -9.350 -1.089 760 HZ PHE 615 HZ PHE 615 -8.857 -11.729 -1.526 761 HB2 PHE 615 1HB PHE 615 -8.111 -7.513 -5.357 762 HB3 PHE 615 2HB PHE 615 -9.837 -7.370 -5.217 763 H ASN 616 H ASN 616 -11.399 -7.547 -6.892 764 HA ASN 616 HA ASN 616 -10.944 -5.404 -8.945 765 HB2 ASN 616 1HB ASN 616 -12.820 -7.293 -9.186 766 HB3 ASN 616 2HB ASN 616 -13.646 -6.467 -7.885 767 HD21 ASN 616 1HD2 ASN 616 -15.149 -6.813 -9.948 768 HD22 ASN 616 2HD2 ASN 616 -15.351 -5.354 -10.829 769 H LEU 617 H LEU 617 -12.808 -3.655 -8.515 770 HA LEU 617 HA LEU 617 -11.474 -2.281 -6.346 771 HG LEU 617 HG LEU 617 -12.923 1.022 -7.197 772 HB2 LEU 617 1HB LEU 617 -12.367 -1.202 -8.551 773 HB3 LEU 617 2HB LEU 617 -13.942 -1.200 -7.771 774 HD11 LEU 617 1HD1 LEU 617 -13.413 1.167 -5.287 775 HD12 LEU 617 2HD1 LEU 617 -14.058 -0.427 -5.585 776 HD13 LEU 617 3HD1 LEU 617 -12.484 -0.342 -4.785 777 HD21 LEU 617 3HD2 LEU 617 -10.573 0.157 -7.851 778 HD22 LEU 617 1HD2 LEU 617 -10.740 1.364 -6.598 779 HD23 LEU 617 2HD2 LEU 617 -10.456 -0.333 -6.144 780 H GLU 618 H GLU 618 -14.897 -3.206 -6.880 781 HA GLU 618 HA GLU 618 -15.928 -2.662 -4.351 782 HB2 GLU 618 1HB GLU 618 -17.218 -3.343 -6.275 783 HB3 GLU 618 2HB GLU 618 -16.472 -4.946 -6.281 784 HG2 GLU 618 1HG GLU 618 -17.571 -5.494 -4.143 785 HG3 GLU 618 2HG GLU 618 -18.297 -3.878 -4.080 786 H GLU 619 H GLU 619 -14.424 -5.651 -5.459 787 HA GLU 619 HA GLU 619 -14.551 -7.172 -3.123 788 HB2 GLU 619 1HB GLU 619 -12.520 -7.073 -5.410 789 HB3 GLU 619 2HB GLU 619 -12.560 -8.391 -4.262 790 HG2 GLU 619 1HG GLU 619 -15.046 -7.622 -5.862 791 HG3 GLU 619 2HG GLU 619 -13.811 -8.572 -6.608 792 H ALA 620 H ALA 620 -11.851 -5.115 -4.289 793 HA ALA 620 HA ALA 620 -10.152 -5.451 -2.087 794 HB1 ALA 620 1HB ALA 620 -9.478 -4.546 -4.325 795 HB2 ALA 620 2HB ALA 620 -10.392 -3.055 -4.000 796 HB3 ALA 620 3HB ALA 620 -8.971 -3.480 -3.018 797 H ALA 621 H ALA 621 -12.456 -2.723 -2.694 798 HA ALA 621 HA ALA 621 -12.054 -1.286 -0.303 799 HB1 ALA 621 1HB ALA 621 -13.298 -0.402 -2.179 800 HB2 ALA 621 2HB ALA 621 -14.472 -1.737 -2.088 801 HB3 ALA 621 3HB ALA 621 -14.382 -0.535 -0.784 802 H ARG 622 H ARG 622 -14.384 -3.971 -1.062 803 HA ARG 622 HA ARG 622 -15.529 -4.023 1.502 804 HE ARG 622 HE ARG 622 -19.814 -6.263 0.061 805 HB2 ARG 622 1HB ARG 622 -15.253 -6.227 -0.574 806 HB3 ARG 622 2HB ARG 622 -16.096 -6.446 0.961 807 HG2 ARG 622 1HG ARG 622 -17.645 -4.582 0.400 808 HG3 ARG 622 2HG ARG 622 -16.846 -4.380 -1.144 809 HD2 ARG 622 1HD ARG 622 -18.561 -5.719 -1.814 810 HD3 ARG 622 2HD ARG 622 -17.382 -6.963 -1.469 811 HH11 ARG 622 2HH2 ARG 622 -17.115 -8.534 -0.230 812 HH12 ARG 622 1HH2 ARG 622 -17.447 -9.367 1.244 813 HH21 ARG 622 2HH1 ARG 622 -20.189 -7.228 2.092 814 HH22 ARG 622 1HH1 ARG 622 -19.371 -8.727 2.496 815 H CYS 623 H CYS 623 -12.753 -6.007 0.225 816 HA CYS 623 HA CYS 623 -12.190 -7.386 2.583 817 HG CYS 623 HG CYS 623 -11.553 -8.776 -0.724 818 HB2 CYS 623 1HB CYS 623 -10.846 -6.593 -0.001 819 HB3 CYS 623 2HB CYS 623 -9.820 -7.161 1.266 820 H MET 624 H MET 624 -11.245 -4.091 1.584 821 HA MET 624 HA MET 624 -9.227 -3.714 3.582 822 HB2 MET 624 1HB MET 624 -10.653 -2.079 1.568 823 HB3 MET 624 2HB MET 624 -10.270 -1.180 3.008 824 HG2 MET 624 1HG MET 624 -8.123 -2.860 1.706 825 HG3 MET 624 2HG MET 624 -8.575 -1.312 1.021 826 HE1 MET 624 3HE MET 624 -5.597 -1.536 1.627 827 HE2 MET 624 1HE MET 624 -6.368 0.005 1.150 828 HE3 MET 624 2HE MET 624 -5.306 -0.047 2.559 829 H ARG 625 H ARG 625 -12.704 -3.893 3.911 830 HA ARG 625 HA ARG 625 -12.886 -2.379 6.376 831 HE ARG 625 HE ARG 625 -17.198 -1.891 5.866 832 HB2 ARG 625 1HB ARG 625 -14.571 -4.661 5.282 833 HB3 ARG 625 2HB ARG 625 -15.036 -3.578 6.587 834 HG2 ARG 625 1HG ARG 625 -15.084 -1.662 5.036 835 HG3 ARG 625 2HG ARG 625 -14.501 -2.677 3.713 836 HD2 ARG 625 1HD ARG 625 -16.820 -2.525 3.361 837 HD3 ARG 625 2HD ARG 625 -16.556 -4.142 4.047 838 HH11 ARG 625 2HH2 ARG 625 -18.612 -4.682 4.152 839 HH12 ARG 625 1HH2 ARG 625 -20.116 -4.522 4.975 840 HH21 ARG 625 2HH1 ARG 625 -19.091 -1.728 6.864 841 HH22 ARG 625 1HH1 ARG 625 -20.315 -2.983 6.761 842 H SER 626 H SER 626 -11.784 -5.649 5.579 843 HA SER 626 HA SER 626 -11.949 -6.595 8.356 844 HG SER 626 HG SER 626 -11.249 -9.729 7.424 845 HB2 SER 626 1HB SER 626 -12.142 -8.097 6.321 846 HB3 SER 626 2HB SER 626 -10.407 -7.863 6.065 847 H LEU 627 H LEU 627 -9.661 -4.847 6.311 848 HA LEU 627 HA LEU 627 -7.554 -4.856 8.366 849 HG LEU 627 HG LEU 627 -5.712 -2.439 6.356 850 HB2 LEU 627 1HB LEU 627 -6.841 -4.399 6.115 851 HB3 LEU 627 2HB LEU 627 -8.035 -3.130 5.910 852 HD11 LEU 627 1HD1 LEU 627 -6.177 -0.529 7.815 853 HD12 LEU 627 2HD1 LEU 627 -7.024 -0.721 6.288 854 HD13 LEU 627 3HD1 LEU 627 -7.856 -1.054 7.776 855 HD21 LEU 627 3HD2 LEU 627 -5.815 -3.194 9.208 856 HD22 LEU 627 1HD2 LEU 627 -5.073 -4.124 7.922 857 HD23 LEU 627 2HD2 LEU 627 -4.513 -2.497 8.260 858 H LYS 628 H LYS 628 -7.380 -3.299 9.965 859 HA LYS 628 HA LYS 628 -9.276 -1.154 9.792 860 HB2 LYS 628 1HB LYS 628 -8.630 -2.462 12.495 861 HB3 LYS 628 2HB LYS 628 -10.119 -1.603 12.056 862 HG2 LYS 628 1HG LYS 628 -10.533 -3.780 10.537 863 HG3 LYS 628 2HG LYS 628 -9.293 -4.487 11.473 864 HD2 LYS 628 1HD LYS 628 -11.535 -3.226 12.990 865 HD3 LYS 628 2HD LYS 628 -11.850 -4.697 12.089 866 HE2 LYS 628 1HE LYS 628 -11.289 -5.273 14.354 867 HE3 LYS 628 2HE LYS 628 -10.046 -5.881 13.262 868 HZ1 LYS 628 3HZ LYS 628 -8.535 -4.272 14.028 869 HZ2 LYS 628 1HZ LYS 628 -9.725 -3.344 14.748 870 HZ3 LYS 628 2HZ LYS 628 -9.265 -4.828 15.330 871 H ALA 629 H ALA 629 -6.066 -1.524 9.884 872 HA ALA 629 HA ALA 629 -5.253 0.361 11.850 873 HB1 ALA 629 1HB ALA 629 -3.821 -1.382 10.733 874 HB2 ALA 629 2HB ALA 629 -3.961 -0.472 9.218 875 HB3 ALA 629 3HB ALA 629 -3.132 0.241 10.594 876 HA PRO 630 HA PRO 630 -5.954 4.134 9.458 877 HB2 PRO 630 1HB PRO 630 -3.289 5.194 9.809 878 HB3 PRO 630 2HB PRO 630 -4.810 5.746 10.536 879 HG2 PRO 630 1HG PRO 630 -2.747 4.502 11.967 880 HG3 PRO 630 2HG PRO 630 -4.466 4.552 12.467 881 HD2 PRO 630 1HD PRO 630 -2.959 2.353 11.088 882 HD3 PRO 630 2HD PRO 630 -4.215 2.246 12.366 883 H ALA 631 H ALA 631 -5.810 4.360 7.151 884 HA ALA 631 HA ALA 631 -3.184 3.989 5.894 885 HB1 ALA 631 1HB ALA 631 -5.591 2.273 5.132 886 HB2 ALA 631 2HB ALA 631 -4.174 2.523 4.083 887 HB3 ALA 631 3HB ALA 631 -3.973 1.748 5.651 888 H VAL 632 H VAL 632 -2.931 5.315 4.204 889 HA VAL 632 HA VAL 632 -5.276 6.513 2.891 890 HB VAL 632 HB VAL 632 -2.340 7.086 2.728 891 HG11 VAL 632 1HG1 VAL 632 -2.842 6.637 0.375 892 HG12 VAL 632 2HG1 VAL 632 -4.361 7.551 0.517 893 HG13 VAL 632 3HG1 VAL 632 -2.801 8.391 0.618 894 HG21 VAL 632 3HG2 VAL 632 -4.902 8.748 2.728 895 HG22 VAL 632 1HG2 VAL 632 -3.828 8.478 4.125 896 HG23 VAL 632 2HG2 VAL 632 -3.275 9.406 2.717 897 H VAL 633 H VAL 633 -6.153 5.597 1.212 898 HA VAL 633 HA VAL 633 -4.876 3.238 -0.061 899 HB VAL 633 HB VAL 633 -7.847 3.885 -0.093 900 HG11 VAL 633 1HG1 VAL 633 -6.972 2.458 -1.877 901 HG12 VAL 633 2HG1 VAL 633 -6.205 1.387 -0.685 902 HG13 VAL 633 3HG1 VAL 633 -7.974 1.514 -0.779 903 HG21 VAL 633 3HG2 VAL 633 -7.499 3.518 2.221 904 HG22 VAL 633 1HG2 VAL 633 -8.152 2.028 1.543 905 HG23 VAL 633 2HG2 VAL 633 -6.408 2.153 1.929 906 H SER 634 H SER 634 -4.222 3.904 -2.148 907 HA SER 634 HA SER 634 -5.472 6.352 -3.293 908 HG SER 634 HG SER 634 -2.752 7.276 -4.923 909 HB2 SER 634 1HB SER 634 -2.985 6.247 -2.521 910 HB3 SER 634 2HB SER 634 -2.745 5.352 -4.036 911 H VAL 635 H VAL 635 -6.953 5.706 -4.742 912 HA VAL 635 HA VAL 635 -6.575 3.244 -6.330 913 HB VAL 635 HB VAL 635 -8.718 3.980 -7.404 914 HG11 VAL 635 1HG1 VAL 635 -10.099 3.279 -5.451 915 HG12 VAL 635 2HG1 VAL 635 -8.650 2.267 -5.633 916 HG13 VAL 635 3HG1 VAL 635 -8.714 3.520 -4.374 917 HG21 VAL 635 3HG2 VAL 635 -8.640 6.408 -6.748 918 HG22 VAL 635 1HG2 VAL 635 -10.148 5.603 -6.287 919 HG23 VAL 635 2HG2 VAL 635 -8.933 5.924 -5.056 920 H SER 636 H SER 636 -7.084 3.470 -8.743 921 HA SER 636 HA SER 636 -4.832 4.795 -9.684 922 HG SER 636 HG SER 636 -5.825 3.804 -12.872 923 HB2 SER 636 1HB SER 636 -5.680 2.604 -10.485 924 HB3 SER 636 2HB SER 636 -7.036 3.433 -11.272 925 H SER 637 H SER 637 -8.182 5.946 -9.622 926 HA SER 637 HA SER 637 -7.295 8.426 -10.849 927 HG SER 637 HG SER 637 -8.694 6.650 -13.805 928 HB2 SER 637 1HB SER 637 -9.888 7.377 -11.851 929 HB3 SER 637 2HB SER 637 -8.776 8.502 -12.616 930 HA PRO 638 HA PRO 638 -9.859 9.827 -7.796 931 HB2 PRO 638 1HB PRO 638 -10.906 12.271 -8.777 932 HB3 PRO 638 2HB PRO 638 -9.308 12.008 -8.020 933 HG2 PRO 638 1HG PRO 638 -10.009 12.030 -10.965 934 HG3 PRO 638 2HG PRO 638 -8.575 12.744 -10.152 935 HD2 PRO 638 1HD PRO 638 -8.420 10.391 -11.449 936 HD3 PRO 638 2HD PRO 638 -7.550 10.646 -9.911 937 H ASP 639 H ASP 639 -11.640 9.472 -10.884 938 HA ASP 639 HA ASP 639 -14.207 9.786 -9.683 939 HB2 ASP 639 1HB ASP 639 -13.623 9.676 -12.159 940 HB3 ASP 639 2HB ASP 639 -13.643 7.916 -12.001 941 H ALA 640 H ALA 640 -11.980 7.159 -9.413 942 HA ALA 640 HA ALA 640 -13.867 4.955 -8.681 943 HB1 ALA 640 1HB ALA 640 -11.798 3.782 -8.180 944 HB2 ALA 640 2HB ALA 640 -11.764 4.449 -9.821 945 HB3 ALA 640 3HB ALA 640 -10.841 5.236 -8.524 946 H VAL 641 H VAL 641 -12.290 7.681 -7.082 947 HA VAL 641 HA VAL 641 -11.994 6.472 -4.529 948 HB VAL 641 HB VAL 641 -12.458 9.365 -5.317 949 HG11 VAL 641 1HG1 VAL 641 -12.725 9.151 -2.892 950 HG12 VAL 641 2HG1 VAL 641 -11.322 8.053 -2.794 951 HG13 VAL 641 3HG1 VAL 641 -11.090 9.764 -3.147 952 HG21 VAL 641 3HG2 VAL 641 -10.429 8.286 -6.396 953 HG22 VAL 641 1HG2 VAL 641 -10.053 9.651 -5.332 954 HG23 VAL 641 2HG2 VAL 641 -9.805 7.988 -4.772 955 H THR 642 H THR 642 -14.645 8.535 -5.851 956 HA THR 642 HA THR 642 -16.341 8.471 -3.595 957 HB THR 642 HB THR 642 -16.767 8.743 -6.586 958 HG1 THR 642 1HG THR 642 -15.796 10.488 -5.891 959 HG21 THR 642 3HG2 THR 642 -18.957 8.021 -5.648 960 HG22 THR 642 1HG2 THR 642 -18.812 9.239 -4.358 961 HG23 THR 642 2HG2 THR 642 -18.989 9.737 -6.056 962 H THR 643 H THR 643 -16.220 6.201 -6.466 963 HA THR 643 HA THR 643 -18.224 4.482 -5.638 964 HB THR 643 HB THR 643 -15.843 3.310 -7.026 965 HG1 THR 643 1HG THR 643 -16.486 4.618 -8.942 966 HG21 THR 643 3HG2 THR 643 -17.550 2.657 -8.674 967 HG22 THR 643 1HG2 THR 643 -18.096 2.256 -7.039 968 HG23 THR 643 2HG2 THR 643 -18.750 3.685 -7.853 969 H TYR 644 H TYR 644 -14.729 4.492 -4.897 970 HA TYR 644 HA TYR 644 -14.536 2.046 -3.664 971 HD1 TYR 644 1HD TYR 644 -12.448 3.281 -0.736 972 HD2 TYR 644 2HD TYR 644 -11.539 1.610 -4.602 973 HE1 TYR 644 1HE TYR 644 -11.000 1.557 0.360 974 HE2 TYR 644 2HE TYR 644 -10.222 -0.237 -3.467 975 HH TYR 644 HH TYR 644 -9.830 -0.286 0.073 976 HB2 TYR 644 1HB TYR 644 -12.688 3.594 -4.438 977 HB3 TYR 644 2HB TYR 644 -12.896 4.494 -2.948 978 H ASN 645 H ASN 645 -14.905 5.292 -2.142 979 HA ASN 645 HA ASN 645 -15.232 4.467 0.556 980 HB2 ASN 645 1HB ASN 645 -16.462 6.918 -0.770 981 HB3 ASN 645 2HB ASN 645 -16.175 6.652 0.948 982 HD21 ASN 645 1HD2 ASN 645 -15.048 8.637 -1.190 983 HD22 ASN 645 2HD2 ASN 645 -13.322 8.429 -0.991 984 H GLY 646 H GLY 646 -17.465 4.845 -2.071 985 HA2 GLY 646 1HA GLY 646 -19.973 4.338 -0.825 986 HA3 GLY 646 2HA GLY 646 -19.557 3.880 -2.489 987 H TYR 647 H TYR 647 -17.703 1.964 -2.333 988 HA TYR 647 HA TYR 647 -19.062 -0.354 -1.483 989 HD1 TYR 647 2HD TYR 647 -19.222 -1.465 -3.540 990 HD2 TYR 647 1HD TYR 647 -15.400 0.424 -4.251 991 HE1 TYR 647 2HE TYR 647 -19.622 -1.508 -5.971 992 HE2 TYR 647 1HE TYR 647 -15.790 0.532 -6.516 993 HH TYR 647 HH TYR 647 -17.199 -0.403 -8.350 994 HB2 TYR 647 1HB TYR 647 -16.120 0.053 -2.017 995 HB3 TYR 647 2HB TYR 647 -16.909 -1.519 -1.887 996 H LEU 648 H LEU 648 -16.446 1.532 0.242 997 HA LEU 648 HA LEU 648 -16.174 -0.086 2.499 998 HG LEU 648 HG LEU 648 -13.790 2.718 2.454 999 HB2 LEU 648 1HB LEU 648 -15.919 2.807 1.803 1000 HB3 LEU 648 2HB LEU 648 -16.092 2.468 3.499 1001 HD11 LEU 648 1HD1 LEU 648 -12.827 1.080 4.079 1002 HD12 LEU 648 2HD1 LEU 648 -14.151 2.021 4.770 1003 HD13 LEU 648 3HD1 LEU 648 -14.431 0.345 4.255 1004 HD21 LEU 648 3HD2 LEU 648 -13.906 1.214 0.585 1005 HD22 LEU 648 1HD2 LEU 648 -12.648 0.687 1.710 1006 HD23 LEU 648 2HD2 LEU 648 -14.180 -0.180 1.664 1007 H THR 649 H THR 649 -18.679 2.499 1.961 1008 HA THR 649 HA THR 649 -20.558 1.023 3.548 1009 HB THR 649 HB THR 649 -19.260 1.685 5.403 1010 HG1 THR 649 1HG THR 649 -21.171 3.637 5.689 1011 HG21 THR 649 3HG2 THR 649 -19.317 4.545 4.426 1012 HG22 THR 649 1HG2 THR 649 -18.796 4.022 6.043 1013 HG23 THR 649 2HG2 THR 649 -17.912 3.475 4.620 1014 H SER 650 H SER 650 -19.733 4.231 2.167 1015 HA SER 650 HA SER 650 -21.004 5.869 1.321 1016 HG SER 650 HG SER 650 -22.799 4.853 -1.364 1017 HB2 SER 650 1HB SER 650 -22.267 3.521 0.278 1018 HB3 SER 650 2HB SER 650 -23.543 4.650 0.751 1019 H SER 651 H SER 651 -21.004 6.889 3.299 1020 HA SER 651 HA SER 651 -21.844 7.946 5.089 1021 HG SER 651 HG SER 651 -24.085 7.977 6.468 1022 HB2 SER 651 1HB SER 651 -23.976 8.229 3.652 1023 HB3 SER 651 2HB SER 651 -24.608 6.827 4.547 Start of MODEL 6 1 H1 GLY -4 H GLY -4 -4.696 19.733 1.205 2 HA2 GLY -4 1HA GLY -4 -5.869 20.253 3.881 3 HA3 GLY -4 2HA GLY -4 -6.575 19.119 2.717 4 H SER -3 H SER -3 -6.213 17.743 4.789 5 HA SER -3 HA SER -3 -4.454 15.796 3.843 6 HG SER -3 HG SER -3 -2.847 14.577 5.321 7 HB2 SER -3 1HB SER -3 -2.964 17.418 5.494 8 HB3 SER -3 2HB SER -3 -3.632 16.301 6.685 9 H HIS -2 H HIS -2 -5.708 13.990 4.191 10 HA HIS -2 HA HIS -2 -7.314 13.774 6.675 11 HD1 HIS -2 1HD HIS -2 -11.288 12.756 4.646 12 HD2 HIS -2 2HD HIS -2 -9.056 15.100 7.389 13 HE1 HIS -2 1HE HIS -2 -12.927 13.584 6.418 14 HE2 HIS -2 2HE HIS -2 -11.521 14.885 8.187 15 HB2 HIS -2 1HB HIS -2 -8.468 14.572 4.264 16 HB3 HIS -2 2HB HIS -2 -8.668 12.838 4.179 17 H MET -1 H MET -1 -8.330 11.297 6.609 18 HA MET -1 HA MET -1 -6.286 9.499 5.487 19 HB2 MET -1 1HB MET -1 -6.981 9.630 8.170 20 HB3 MET -1 2HB MET -1 -8.198 8.535 7.547 21 HG2 MET -1 1HG MET -1 -6.635 6.994 7.957 22 HG3 MET -1 2HG MET -1 -6.068 7.404 6.364 23 HE1 MET -1 3HE MET -1 -4.135 9.777 6.350 24 HE2 MET -1 1HE MET -1 -4.921 10.525 7.767 25 HE3 MET -1 2HE MET -1 -3.204 10.111 7.831 26 H GLY 527 H GLY 527 -7.252 7.704 4.389 27 HA2 GLY 527 1HA GLY 527 -9.403 6.552 3.798 28 HA3 GLY 527 2HA GLY 527 -10.052 8.160 3.451 29 H THR 528 H THR 528 -10.470 7.109 1.369 30 HA THR 528 HA THR 528 -8.418 6.287 -0.348 31 HB THR 528 HB THR 528 -11.182 7.275 -1.147 32 HG1 THR 528 1HG THR 528 -12.073 5.748 -0.188 33 HG21 THR 528 3HG2 THR 528 -9.653 6.435 -2.967 34 HG22 THR 528 1HG2 THR 528 -9.532 4.885 -2.110 35 HG23 THR 528 2HG2 THR 528 -11.095 5.426 -2.752 36 H VAL 529 H VAL 529 -7.353 7.334 -2.067 37 HA VAL 529 HA VAL 529 -7.893 10.132 -2.740 38 HB VAL 529 HB VAL 529 -5.551 10.772 -2.496 39 HG11 VAL 529 1HG1 VAL 529 -7.078 11.172 -0.579 40 HG12 VAL 529 2HG1 VAL 529 -6.514 9.664 0.169 41 HG13 VAL 529 3HG1 VAL 529 -5.382 11.002 -0.101 42 HG21 VAL 529 3HG2 VAL 529 -3.966 9.318 -1.178 43 HG22 VAL 529 1HG2 VAL 529 -5.113 7.981 -1.348 44 HG23 VAL 529 2HG2 VAL 529 -4.352 8.704 -2.783 45 H SER 530 H SER 530 -6.223 10.641 -4.676 46 HA SER 530 HA SER 530 -5.901 8.219 -6.389 47 HG SER 530 HG SER 530 -6.697 11.716 -7.614 48 HB2 SER 530 1HB SER 530 -6.687 9.670 -8.282 49 HB3 SER 530 2HB SER 530 -7.917 9.252 -7.080 50 H TRP 531 H TRP 531 -3.733 8.814 -5.006 51 HA TRP 531 HA TRP 531 -2.230 11.075 -6.149 52 HD1 TRP 531 HD TRP 531 -3.403 12.221 -4.529 53 HE1 TRP 531 1HE TRP 531 -3.890 13.350 -2.304 54 HE3 TRP 531 3HE TRP 531 -0.491 9.296 -1.496 55 HZ2 TRP 531 2HZ TRP 531 -3.322 12.874 0.517 56 HZ3 TRP 531 3HZ TRP 531 -0.430 9.743 0.954 57 HH2 TRP 531 HH TRP 531 -1.887 11.481 1.959 58 HB2 TRP 531 1HB TRP 531 -1.595 8.969 -4.039 59 HB3 TRP 531 2HB TRP 531 -0.514 10.238 -4.507 60 H ASN 532 H ASN 532 -0.093 10.754 -6.996 61 HA ASN 532 HA ASN 532 0.307 8.441 -8.789 62 HB2 ASN 532 1HB ASN 532 2.095 10.748 -7.909 63 HB3 ASN 532 2HB ASN 532 2.594 9.483 -9.028 64 HD21 ASN 532 1HD2 ASN 532 0.689 12.410 -8.734 65 HD22 ASN 532 2HD2 ASN 532 0.549 12.570 -10.471 66 H LEU 533 H LEU 533 2.206 6.992 -8.473 67 HA LEU 533 HA LEU 533 2.811 6.256 -5.738 68 HG LEU 533 HG LEU 533 3.919 3.283 -7.612 69 HB2 LEU 533 1HB LEU 533 3.837 5.530 -8.434 70 HB3 LEU 533 2HB LEU 533 4.992 5.391 -7.129 71 HD11 LEU 533 1HD1 LEU 533 4.706 3.758 -5.308 72 HD12 LEU 533 2HD1 LEU 533 3.065 4.263 -4.860 73 HD13 LEU 533 3HD1 LEU 533 3.368 2.593 -5.359 74 HD21 LEU 533 3HD2 LEU 533 1.574 2.829 -7.128 75 HD22 LEU 533 1HD2 LEU 533 1.295 4.535 -6.722 76 HD23 LEU 533 2HD2 LEU 533 1.728 4.082 -8.383 77 H ARG 534 H ARG 534 3.828 8.876 -7.849 78 HA ARG 534 HA ARG 534 6.411 9.337 -6.565 79 HE ARG 534 HE ARG 534 7.278 12.248 -10.001 80 HB2 ARG 534 1HB ARG 534 4.590 11.151 -8.215 81 HB3 ARG 534 2HB ARG 534 6.213 11.591 -7.687 82 HG2 ARG 534 1HG ARG 534 7.269 9.990 -9.088 83 HG3 ARG 534 2HG ARG 534 5.797 9.041 -9.274 84 HD2 ARG 534 1HD ARG 534 5.994 10.067 -11.326 85 HD3 ARG 534 2HD ARG 534 4.776 11.035 -10.475 86 HH11 ARG 534 2HH2 ARG 534 4.989 11.769 -12.650 87 HH12 ARG 534 1HH2 ARG 534 5.734 12.933 -13.700 88 HH21 ARG 534 2HH1 ARG 534 8.288 13.756 -11.356 89 HH22 ARG 534 1HH1 ARG 534 7.747 14.013 -12.981 90 H GLU 535 H GLU 535 3.102 10.759 -6.249 91 HA GLU 535 HA GLU 535 3.638 12.532 -4.118 92 HB2 GLU 535 1HB GLU 535 1.251 11.163 -5.332 93 HB3 GLU 535 2HB GLU 535 1.076 12.120 -3.852 94 HG2 GLU 535 1HG GLU 535 1.832 14.118 -4.928 95 HG3 GLU 535 2HG GLU 535 2.309 13.226 -6.407 96 H MET 536 H MET 536 2.372 9.165 -4.261 97 HA MET 536 HA MET 536 1.930 8.743 -1.520 98 HB2 MET 536 1HB MET 536 2.845 6.899 -3.745 99 HB3 MET 536 2HB MET 536 2.492 6.312 -2.147 100 HG2 MET 536 1HG MET 536 0.178 7.149 -2.294 101 HG3 MET 536 2HG MET 536 0.515 7.853 -3.866 102 HE1 MET 536 3HE MET 536 0.941 4.483 -1.926 103 HE2 MET 536 1HE MET 536 -0.776 4.943 -1.946 104 HE3 MET 536 2HE MET 536 -0.230 3.487 -2.826 105 H LEU 537 H LEU 537 4.936 8.004 -3.393 106 HA LEU 537 HA LEU 537 6.422 7.242 -1.090 107 HG LEU 537 HG LEU 537 6.474 5.661 -3.302 108 HB2 LEU 537 1HB LEU 537 7.105 8.078 -3.904 109 HB3 LEU 537 2HB LEU 537 8.413 7.945 -2.729 110 HD11 LEU 537 1HD1 LEU 537 7.731 6.203 -5.338 111 HD12 LEU 537 2HD1 LEU 537 9.262 6.156 -4.437 112 HD13 LEU 537 3HD1 LEU 537 8.292 4.675 -4.641 113 HD21 LEU 537 3HD2 LEU 537 8.298 4.291 -2.267 114 HD22 LEU 537 1HD2 LEU 537 9.188 5.784 -1.884 115 HD23 LEU 537 2HD2 LEU 537 7.622 5.459 -1.134 116 H ALA 538 H ALA 538 5.878 10.468 -2.535 117 HA ALA 538 HA ALA 538 7.908 11.775 -0.923 118 HB1 ALA 538 1HB ALA 538 7.061 12.717 -3.077 119 HB2 ALA 538 2HB ALA 538 5.442 12.893 -2.367 120 HB3 ALA 538 3HB ALA 538 6.791 13.843 -1.742 121 H HIS 539 H HIS 539 4.352 11.463 -0.638 122 HA HIS 539 HA HIS 539 4.078 12.864 1.817 123 HD1 HIS 539 1HD HIS 539 1.043 13.913 1.925 124 HD2 HIS 539 2HD HIS 539 1.336 9.868 3.033 125 HE1 HIS 539 1HE HIS 539 -0.500 13.642 3.923 126 HE2 HIS 539 2HE HIS 539 -0.395 11.136 4.605 127 HB2 HIS 539 1HB HIS 539 2.197 12.098 0.238 128 HB3 HIS 539 2HB HIS 539 2.439 10.476 0.817 129 H ALA 540 H ALA 540 4.701 9.384 1.099 130 HA ALA 540 HA ALA 540 4.762 8.526 3.812 131 HB1 ALA 540 1HB ALA 540 6.161 7.280 1.413 132 HB2 ALA 540 2HB ALA 540 5.727 6.494 2.949 133 HB3 ALA 540 3HB ALA 540 4.453 7.024 1.842 134 H GLU 541 H GLU 541 7.386 9.747 1.589 135 HA GLU 541 HA GLU 541 9.541 9.417 3.350 136 HB2 GLU 541 1HB GLU 541 8.887 11.118 0.949 137 HB3 GLU 541 2HB GLU 541 10.122 11.759 1.998 138 HG2 GLU 541 1HG GLU 541 11.216 9.461 1.934 139 HG3 GLU 541 2HG GLU 541 10.066 9.066 0.644 140 H GLU 542 H GLU 542 7.347 12.206 2.975 141 HA GLU 542 HA GLU 542 8.665 13.680 5.017 142 HB2 GLU 542 1HB GLU 542 7.290 14.582 3.141 143 HB3 GLU 542 2HB GLU 542 5.820 14.040 3.970 144 HG2 GLU 542 1HG GLU 542 6.163 15.560 5.782 145 HG3 GLU 542 2HG GLU 542 7.868 15.797 5.366 146 H THR 543 H THR 543 5.809 11.558 5.183 147 HA THR 543 HA THR 543 5.411 12.245 8.041 148 HB THR 543 HB THR 543 3.421 10.813 7.855 149 HG1 THR 543 1HG THR 543 4.097 10.670 5.098 150 HG21 THR 543 3HG2 THR 543 3.565 12.921 5.670 151 HG22 THR 543 1HG2 THR 543 2.087 12.262 6.415 152 HG23 THR 543 2HG2 THR 543 3.236 13.202 7.392 153 H ARG 544 H ARG 544 7.297 10.043 6.377 154 HA ARG 544 HA ARG 544 8.255 8.088 6.727 155 HE ARG 544 HE ARG 544 10.007 11.037 9.977 156 HB2 ARG 544 1HB ARG 544 8.360 9.321 9.462 157 HB3 ARG 544 2HB ARG 544 8.996 7.694 9.200 158 HG2 ARG 544 1HG ARG 544 10.877 8.944 8.782 159 HG3 ARG 544 2HG ARG 544 10.252 8.708 7.170 160 HD2 ARG 544 1HD ARG 544 10.789 10.892 7.123 161 HD3 ARG 544 2HD ARG 544 9.093 11.066 7.560 162 HH11 ARG 544 2HH2 ARG 544 11.626 12.762 7.288 163 HH12 ARG 544 1HH2 ARG 544 12.727 13.582 8.328 164 HH21 ARG 544 2HH1 ARG 544 11.295 12.303 11.344 165 HH22 ARG 544 1HH1 ARG 544 12.495 13.361 10.703 166 H LYS 545 H LYS 545 5.448 7.968 6.453 167 HA LYS 545 HA LYS 545 4.360 6.114 8.414 168 HB2 LYS 545 1HB LYS 545 3.364 7.328 5.810 169 HB3 LYS 545 2HB LYS 545 2.460 6.027 6.610 170 HG2 LYS 545 1HG LYS 545 2.375 7.260 8.700 171 HG3 LYS 545 2HG LYS 545 3.322 8.591 7.994 172 HD2 LYS 545 1HD LYS 545 1.432 8.890 6.301 173 HD3 LYS 545 2HD LYS 545 0.533 7.716 7.255 174 HE2 LYS 545 1HE LYS 545 1.530 10.459 8.105 175 HE3 LYS 545 2HE LYS 545 -0.148 9.963 7.947 176 HZ1 LYS 545 3HZ LYS 545 0.631 10.035 10.234 177 HZ2 LYS 545 1HZ LYS 545 0.213 8.519 9.858 178 HZ3 LYS 545 2HZ LYS 545 1.822 8.943 9.960 179 H LEU 546 H LEU 546 3.371 4.074 7.783 180 HA LEU 546 HA LEU 546 5.466 2.417 6.649 181 HG LEU 546 HG LEU 546 5.604 0.372 7.985 182 HB2 LEU 546 1HB LEU 546 3.991 2.050 8.758 183 HB3 LEU 546 2HB LEU 546 2.760 1.472 7.652 184 HD11 LEU 546 1HD1 LEU 546 4.140 -0.020 9.936 185 HD12 LEU 546 2HD1 LEU 546 2.928 -0.785 8.888 186 HD13 LEU 546 3HD1 LEU 546 4.537 -1.519 9.104 187 HD21 LEU 546 3HD2 LEU 546 4.654 -1.642 6.761 188 HD22 LEU 546 1HD2 LEU 546 3.340 -0.610 6.211 189 HD23 LEU 546 2HD2 LEU 546 5.032 -0.247 5.765 190 H MET 547 H MET 547 5.586 1.840 4.600 191 HA MET 547 HA MET 547 3.204 1.978 2.816 192 HB2 MET 547 1HB MET 547 4.966 3.712 2.468 193 HB3 MET 547 2HB MET 547 6.130 2.443 2.128 194 HG2 MET 547 1HG MET 547 4.844 1.681 0.201 195 HG3 MET 547 2HG MET 547 3.504 2.745 0.630 196 HE1 MET 547 3HE MET 547 4.382 2.802 -2.326 197 HE2 MET 547 1HE MET 547 3.178 3.879 -1.611 198 HE3 MET 547 2HE MET 547 4.485 4.553 -2.610 199 HA PRO 548 HA PRO 548 4.618 -2.378 2.673 200 HB2 PRO 548 1HB PRO 548 2.199 -3.557 2.090 201 HB3 PRO 548 2HB PRO 548 2.707 -3.106 3.735 202 HG2 PRO 548 1HG PRO 548 0.968 -1.542 1.813 203 HG3 PRO 548 2HG PRO 548 0.660 -1.926 3.554 204 HD2 PRO 548 1HD PRO 548 1.716 0.465 2.737 205 HD3 PRO 548 2HD PRO 548 2.235 -0.309 4.247 206 H ILE 549 H ILE 549 4.974 -3.794 0.796 207 HA ILE 549 HA ILE 549 4.364 -2.587 -1.857 208 HB ILE 549 HB ILE 549 7.119 -3.540 -0.957 209 HG12 ILE 549 1HG1 ILE 549 7.427 -0.908 -1.642 210 HG13 ILE 549 2HG1 ILE 549 5.809 -0.841 -0.975 211 HG21 ILE 549 1HG2 ILE 549 6.755 -3.965 -3.336 212 HG22 ILE 549 2HG2 ILE 549 6.193 -2.288 -3.558 213 HG23 ILE 549 3HG2 ILE 549 7.883 -2.649 -3.103 214 HD11 ILE 549 3HD1 ILE 549 6.761 -2.054 1.055 215 HD12 ILE 549 1HD1 ILE 549 8.369 -1.886 0.297 216 HD13 ILE 549 2HD1 ILE 549 7.419 -0.445 0.694 217 H CYS 550 H CYS 550 3.553 -4.132 -3.245 218 HA CYS 550 HA CYS 550 4.052 -7.002 -2.845 219 HG CYS 550 HG CYS 550 2.489 -8.021 -3.018 220 HB2 CYS 550 1HB CYS 550 2.268 -5.424 -4.536 221 HB3 CYS 550 2HB CYS 550 3.296 -6.395 -5.578 222 H MET 551 H MET 551 6.091 -7.768 -3.160 223 HA MET 551 HA MET 551 8.044 -6.358 -4.765 224 HB2 MET 551 1HB MET 551 8.254 -9.290 -4.073 225 HB3 MET 551 2HB MET 551 9.526 -8.113 -4.332 226 HG2 MET 551 1HG MET 551 8.229 -7.023 -2.182 227 HG3 MET 551 2HG MET 551 7.928 -8.727 -1.906 228 HE1 MET 551 3HE MET 551 11.581 -10.134 -1.543 229 HE2 MET 551 1HE MET 551 9.837 -10.523 -1.558 230 HE3 MET 551 2HE MET 551 10.669 -10.075 -3.075 231 H ASP 552 H ASP 552 5.373 -8.205 -5.751 232 HA ASP 552 HA ASP 552 6.549 -9.763 -7.848 233 HB2 ASP 552 1HB ASP 552 4.553 -10.414 -6.716 234 HB3 ASP 552 2HB ASP 552 3.773 -8.876 -7.035 235 H VAL 553 H VAL 553 5.354 -6.283 -7.761 236 HA VAL 553 HA VAL 553 4.616 -6.469 -10.543 237 HB VAL 553 HB VAL 553 4.422 -3.948 -9.754 238 HG11 VAL 553 1HG1 VAL 553 2.264 -5.846 -9.031 239 HG12 VAL 553 2HG1 VAL 553 2.074 -4.132 -9.465 240 HG13 VAL 553 3HG1 VAL 553 2.592 -5.303 -10.706 241 HG21 VAL 553 3HG2 VAL 553 5.360 -4.174 -7.719 242 HG22 VAL 553 1HG2 VAL 553 3.729 -3.476 -7.653 243 HG23 VAL 553 2HG2 VAL 553 3.985 -5.179 -7.145 244 H ARG 554 H ARG 554 6.224 -6.320 -11.712 245 HA ARG 554 HA ARG 554 8.883 -5.474 -11.225 246 HE ARG 554 HE ARG 554 7.168 -9.522 -13.570 247 HB2 ARG 554 1HB ARG 554 7.743 -5.151 -14.028 248 HB3 ARG 554 2HB ARG 554 9.407 -5.442 -13.544 249 HG2 ARG 554 1HG ARG 554 8.963 -7.603 -14.061 250 HG3 ARG 554 2HG ARG 554 8.228 -7.668 -12.462 251 HD2 ARG 554 1HD ARG 554 6.027 -6.974 -13.566 252 HD3 ARG 554 2HD ARG 554 6.843 -7.133 -15.130 253 HH11 ARG 554 2HH2 ARG 554 4.876 -7.803 -15.708 254 HH12 ARG 554 1HH2 ARG 554 3.968 -9.212 -16.099 255 HH21 ARG 554 2HH1 ARG 554 5.709 -11.321 -13.822 256 HH22 ARG 554 1HH1 ARG 554 4.343 -11.191 -14.853 257 H ALA 555 H ALA 555 6.121 -3.591 -12.251 258 HA ALA 555 HA ALA 555 7.204 -1.119 -12.813 259 HB1 ALA 555 1HB ALA 555 5.000 -0.223 -12.113 260 HB2 ALA 555 2HB ALA 555 4.853 -1.636 -13.161 261 HB3 ALA 555 3HB ALA 555 4.598 -1.807 -11.408 262 H ILE 556 H ILE 556 6.004 -2.136 -9.619 263 HA ILE 556 HA ILE 556 6.869 0.414 -8.521 264 HB ILE 556 HB ILE 556 5.297 -1.960 -7.641 265 HG12 ILE 556 1HG1 ILE 556 4.776 1.035 -7.522 266 HG13 ILE 556 2HG1 ILE 556 4.369 0.012 -8.894 267 HG21 ILE 556 1HG2 ILE 556 6.716 -1.653 -5.714 268 HG22 ILE 556 2HG2 ILE 556 6.310 0.085 -5.669 269 HG23 ILE 556 3HG2 ILE 556 5.068 -1.170 -5.366 270 HD11 ILE 556 3HD1 ILE 556 2.388 0.376 -7.604 271 HD12 ILE 556 1HD1 ILE 556 2.851 -1.330 -7.470 272 HD13 ILE 556 2HD1 ILE 556 3.165 -0.204 -6.122 273 H MET 557 H MET 557 8.027 -2.943 -8.462 274 HA MET 557 HA MET 557 10.174 -2.666 -6.654 275 HB2 MET 557 1HB MET 557 9.757 -4.231 -9.213 276 HB3 MET 557 2HB MET 557 11.279 -4.360 -8.308 277 HG2 MET 557 1HG MET 557 8.718 -4.745 -6.774 278 HG3 MET 557 2HG MET 557 9.175 -5.965 -7.936 279 HE1 MET 557 3HE MET 557 11.436 -4.974 -4.030 280 HE2 MET 557 1HE MET 557 11.539 -3.783 -5.332 281 HE3 MET 557 2HE MET 557 9.954 -4.200 -4.615 282 H ALA 558 H ALA 558 10.053 -1.833 -10.182 283 HA ALA 558 HA ALA 558 12.747 -0.919 -10.324 284 HB1 ALA 558 1HB ALA 558 12.049 0.206 -12.377 285 HB2 ALA 558 2HB ALA 558 11.340 -1.428 -12.318 286 HB3 ALA 558 3HB ALA 558 10.343 -0.003 -11.968 287 H THR 559 H THR 559 9.648 0.851 -9.736 288 HA THR 559 HA THR 559 10.724 3.417 -9.522 289 HB THR 559 HB THR 559 8.373 1.977 -8.219 290 HG1 THR 559 1HG THR 559 8.108 3.937 -10.192 291 HG21 THR 559 3HG2 THR 559 8.678 3.704 -6.709 292 HG22 THR 559 1HG2 THR 559 8.987 4.906 -7.985 293 HG23 THR 559 2HG2 THR 559 7.345 4.209 -7.762 294 H ILE 560 H ILE 560 10.469 0.931 -6.929 295 HA ILE 560 HA ILE 560 11.517 2.706 -4.943 296 HB ILE 560 HB ILE 560 11.128 -0.298 -5.118 297 HG12 ILE 560 1HG1 ILE 560 9.578 1.780 -3.527 298 HG13 ILE 560 2HG1 ILE 560 9.135 1.431 -5.183 299 HG21 ILE 560 1HG2 ILE 560 12.885 0.140 -3.424 300 HG22 ILE 560 2HG2 ILE 560 11.846 1.371 -2.665 301 HG23 ILE 560 3HG2 ILE 560 11.377 -0.344 -2.637 302 HD11 ILE 560 3HD1 ILE 560 7.753 0.136 -3.807 303 HD12 ILE 560 1HD1 ILE 560 8.848 -0.944 -4.669 304 HD13 ILE 560 2HD1 ILE 560 9.147 -0.590 -2.948 305 H GLN 561 H GLN 561 13.020 -0.089 -6.774 306 HA GLN 561 HA GLN 561 15.549 0.395 -5.518 307 HB2 GLN 561 1HB GLN 561 14.792 -1.210 -7.995 308 HB3 GLN 561 2HB GLN 561 16.432 -1.108 -7.332 309 HG2 GLN 561 1HG GLN 561 15.470 -1.825 -5.096 310 HG3 GLN 561 2HG GLN 561 13.993 -2.279 -5.919 311 HE21 GLN 561 1HE2 GLN 561 14.621 -3.786 -8.148 312 HE22 GLN 561 2HE2 GLN 561 15.827 -4.982 -7.768 313 H ARG 562 H ARG 562 14.063 1.972 -8.296 314 HA ARG 562 HA ARG 562 16.498 3.038 -9.338 315 HE ARG 562 HE ARG 562 12.126 7.654 -9.551 316 HB2 ARG 562 1HB ARG 562 15.259 4.482 -10.595 317 HB3 ARG 562 2HB ARG 562 14.180 3.103 -10.420 318 HG2 ARG 562 1HG ARG 562 12.578 4.235 -9.467 319 HG3 ARG 562 2HG ARG 562 13.592 5.199 -8.438 320 HD2 ARG 562 1HD ARG 562 14.056 6.131 -11.087 321 HD3 ARG 562 2HD ARG 562 12.325 5.823 -10.945 322 HH11 ARG 562 2HH2 ARG 562 15.565 6.662 -9.327 323 HH12 ARG 562 1HH2 ARG 562 16.042 8.054 -8.479 324 HH21 ARG 562 2HH1 ARG 562 12.730 9.430 -8.461 325 HH22 ARG 562 1HH1 ARG 562 14.308 9.685 -7.798 326 H LYS 563 H LYS 563 14.420 4.098 -6.738 327 HA LYS 563 HA LYS 563 16.141 6.485 -6.228 328 HB2 LYS 563 1HB LYS 563 13.495 6.258 -6.263 329 HB3 LYS 563 2HB LYS 563 13.668 5.651 -4.647 330 HG2 LYS 563 1HG LYS 563 14.632 8.335 -5.645 331 HG3 LYS 563 2HG LYS 563 13.100 8.056 -4.826 332 HD2 LYS 563 1HD LYS 563 14.731 7.145 -2.886 333 HD3 LYS 563 2HD LYS 563 15.882 8.226 -3.707 334 HE2 LYS 563 1HE LYS 563 14.048 10.028 -3.576 335 HE3 LYS 563 2HE LYS 563 13.163 8.921 -2.531 336 HZ1 LYS 563 3HZ LYS 563 15.413 8.988 -1.196 337 HZ2 LYS 563 1HZ LYS 563 15.586 10.424 -1.959 338 HZ3 LYS 563 2HZ LYS 563 14.243 10.138 -1.030 339 H TYR 564 H TYR 564 15.304 3.481 -4.729 340 HA TYR 564 HA TYR 564 17.092 3.929 -2.382 341 HD1 TYR 564 1HD TYR 564 15.370 4.802 0.019 342 HD2 TYR 564 2HD TYR 564 12.836 3.704 -3.294 343 HE1 TYR 564 1HE TYR 564 13.839 6.659 0.568 344 HE2 TYR 564 2HE TYR 564 11.333 5.616 -2.775 345 HH TYR 564 HH TYR 564 12.194 8.139 -0.426 346 HB2 TYR 564 1HB TYR 564 14.560 2.236 -2.580 347 HB3 TYR 564 2HB TYR 564 15.499 2.547 -1.149 348 H LYS 565 H LYS 565 18.759 3.027 -4.310 349 HA LYS 565 HA LYS 565 18.299 0.212 -4.823 350 HB2 LYS 565 1HB LYS 565 19.314 1.719 -6.542 351 HB3 LYS 565 2HB LYS 565 20.641 2.088 -5.452 352 HG2 LYS 565 1HG LYS 565 21.295 -0.229 -5.412 353 HG3 LYS 565 2HG LYS 565 19.957 -0.696 -6.472 354 HD2 LYS 565 1HD LYS 565 21.932 -0.679 -7.786 355 HD3 LYS 565 2HD LYS 565 21.034 0.770 -8.270 356 HE2 LYS 565 1HE LYS 565 22.492 2.201 -6.983 357 HE3 LYS 565 2HE LYS 565 23.165 0.822 -6.095 358 HZ1 LYS 565 3HZ LYS 565 24.728 1.531 -7.683 359 HZ2 LYS 565 1HZ LYS 565 24.201 0.071 -8.140 360 HZ3 LYS 565 2HZ LYS 565 23.683 1.388 -8.959 361 H GLY 566 H GLY 566 20.489 2.074 -2.622 362 HA2 GLY 566 1HA GLY 566 22.234 0.108 -1.927 363 HA3 GLY 566 2HA GLY 566 21.636 1.300 -0.768 364 H ILE 567 H ILE 567 18.895 0.376 -0.770 365 HA ILE 567 HA ILE 567 19.039 -1.632 1.238 366 HB ILE 567 HB ILE 567 17.459 -0.015 1.473 367 HG12 ILE 567 1HG1 ILE 567 16.675 -2.456 1.874 368 HG13 ILE 567 2HG1 ILE 567 15.651 -1.034 2.038 369 HG21 ILE 567 1HG2 ILE 567 16.278 -0.515 -1.268 370 HG22 ILE 567 2HG2 ILE 567 15.529 0.458 0.004 371 HG23 ILE 567 3HG2 ILE 567 17.102 0.951 -0.692 372 HD11 ILE 567 3HD1 ILE 567 14.594 -3.031 0.797 373 HD12 ILE 567 1HD1 ILE 567 14.450 -1.454 0.029 374 HD13 ILE 567 2HD1 ILE 567 15.671 -2.590 -0.563 375 H LYS 568 H LYS 568 18.309 -3.729 1.264 376 HA LYS 568 HA LYS 568 18.402 -5.185 -1.345 377 HB2 LYS 568 1HB LYS 568 19.061 -5.924 1.518 378 HB3 LYS 568 2HB LYS 568 18.438 -7.162 0.439 379 HG2 LYS 568 1HG LYS 568 20.870 -7.187 0.446 380 HG3 LYS 568 2HG LYS 568 20.206 -6.857 -1.146 381 HD2 LYS 568 1HD LYS 568 22.207 -5.551 -0.700 382 HD3 LYS 568 2HD LYS 568 20.828 -4.511 -1.018 383 HE2 LYS 568 1HE LYS 568 20.886 -3.550 1.031 384 HE3 LYS 568 2HE LYS 568 21.161 -5.087 1.862 385 HZ1 LYS 568 3HZ LYS 568 23.029 -3.531 2.049 386 HZ2 LYS 568 1HZ LYS 568 23.462 -4.950 1.331 387 HZ3 LYS 568 2HZ LYS 568 23.245 -3.601 0.409 388 H ILE 569 H ILE 569 16.690 -6.547 -1.886 389 HA ILE 569 HA ILE 569 14.084 -5.874 -0.651 390 HB ILE 569 HB ILE 569 15.031 -7.262 -3.213 391 HG12 ILE 569 1HG1 ILE 569 15.637 -4.939 -3.353 392 HG13 ILE 569 2HG1 ILE 569 14.218 -5.184 -4.325 393 HG21 ILE 569 1HG2 ILE 569 12.717 -6.993 -4.032 394 HG22 ILE 569 2HG2 ILE 569 12.861 -8.096 -2.667 395 HG23 ILE 569 3HG2 ILE 569 12.241 -6.449 -2.399 396 HD11 ILE 569 3HD1 ILE 569 14.050 -3.087 -3.053 397 HD12 ILE 569 1HD1 ILE 569 12.809 -4.233 -2.494 398 HD13 ILE 569 2HD1 ILE 569 14.266 -3.973 -1.530 399 H GLN 570 H GLN 570 13.136 -7.177 0.676 400 HA GLN 570 HA GLN 570 13.596 -10.027 0.864 401 HB2 GLN 570 1HB GLN 570 14.356 -9.873 3.211 402 HB3 GLN 570 2HB GLN 570 15.501 -9.071 2.144 403 HG2 GLN 570 1HG GLN 570 13.846 -6.957 2.888 404 HG3 GLN 570 2HG GLN 570 13.833 -7.955 4.328 405 HE21 GLN 570 1HE2 GLN 570 15.520 -5.531 2.633 406 HE22 GLN 570 2HE2 GLN 570 16.951 -5.525 3.607 407 H GLU 571 H GLU 571 11.774 -10.966 1.966 408 HA GLU 571 HA GLU 571 9.433 -9.272 2.042 409 HB2 GLU 571 1HB GLU 571 10.102 -12.146 2.121 410 HB3 GLU 571 2HB GLU 571 8.891 -11.713 3.313 411 HG2 GLU 571 1HG GLU 571 7.551 -10.588 1.527 412 HG3 GLU 571 2HG GLU 571 8.734 -11.138 0.331 413 H GLY 572 H GLY 572 9.132 -7.885 3.805 414 HA2 GLY 572 1HA GLY 572 8.750 -8.392 6.387 415 HA3 GLY 572 2HA GLY 572 10.518 -8.444 6.336 416 H ILE 573 H ILE 573 9.984 -6.651 7.908 417 HA ILE 573 HA ILE 573 9.331 -4.040 6.813 418 HB ILE 573 HB ILE 573 10.453 -5.032 9.441 419 HG12 ILE 573 1HG1 ILE 573 8.005 -5.340 8.969 420 HG13 ILE 573 2HG1 ILE 573 8.350 -4.406 10.395 421 HG21 ILE 573 1HG2 ILE 573 10.062 -2.113 8.697 422 HG22 ILE 573 2HG2 ILE 573 10.219 -2.720 10.361 423 HG23 ILE 573 3HG2 ILE 573 11.553 -2.920 9.231 424 HD11 ILE 573 3HD1 ILE 573 7.587 -3.157 7.718 425 HD12 ILE 573 1HD1 ILE 573 6.466 -3.487 9.048 426 HD13 ILE 573 2HD1 ILE 573 7.775 -2.313 9.259 427 H VAL 574 H VAL 574 10.661 -2.554 6.070 428 HA VAL 574 HA VAL 574 13.609 -2.887 6.264 429 HB VAL 574 HB VAL 574 11.859 -2.516 3.833 430 HG11 VAL 574 1HG1 VAL 574 13.698 -1.725 2.525 431 HG12 VAL 574 2HG1 VAL 574 13.502 -0.593 3.831 432 HG13 VAL 574 3HG1 VAL 574 14.807 -1.801 3.922 433 HG21 VAL 574 3HG2 VAL 574 12.575 -4.783 4.277 434 HG22 VAL 574 1HG2 VAL 574 13.503 -4.191 2.897 435 HG23 VAL 574 2HG2 VAL 574 14.254 -4.262 4.499 436 H ASP 575 H ASP 575 14.100 -1.342 7.604 437 HA ASP 575 HA ASP 575 12.873 1.350 7.477 438 HB2 ASP 575 1HB ASP 575 12.953 0.340 9.672 439 HB3 ASP 575 2HB ASP 575 14.726 0.282 9.601 440 H TYR 576 H TYR 576 13.713 1.966 5.625 441 HA TYR 576 HA TYR 576 16.355 3.126 5.484 442 HD1 TYR 576 1HD TYR 576 18.986 2.047 4.265 443 HD2 TYR 576 2HD TYR 576 15.758 2.441 1.408 444 HE1 TYR 576 1HE TYR 576 20.570 2.924 2.604 445 HE2 TYR 576 2HE TYR 576 17.348 3.408 -0.215 446 HH TYR 576 HH TYR 576 20.778 3.963 0.413 447 HB2 TYR 576 1HB TYR 576 16.822 0.859 4.580 448 HB3 TYR 576 2HB TYR 576 15.517 1.036 3.433 449 H GLY 577 H GLY 577 15.250 5.116 5.390 450 HA2 GLY 577 1HA GLY 577 14.668 6.889 4.082 451 HA3 GLY 577 2HA GLY 577 14.389 5.806 2.728 452 H VAL 578 H VAL 578 12.277 4.290 3.240 453 HA VAL 578 HA VAL 578 10.029 5.978 4.309 454 HB VAL 578 HB VAL 578 10.392 4.636 1.584 455 HG11 VAL 578 1HG1 VAL 578 8.040 5.210 1.077 456 HG12 VAL 578 2HG1 VAL 578 8.158 3.953 2.314 457 HG13 VAL 578 3HG1 VAL 578 7.790 5.627 2.797 458 HG21 VAL 578 3HG2 VAL 578 9.552 7.428 2.369 459 HG22 VAL 578 1HG2 VAL 578 11.140 6.960 1.717 460 HG23 VAL 578 2HG2 VAL 578 9.694 6.813 0.709 461 H ARG 579 H ARG 579 9.124 4.670 5.915 462 HA ARG 579 HA ARG 579 10.113 2.178 6.553 463 HE ARG 579 HE ARG 579 9.499 3.292 11.515 464 HB2 ARG 579 1HB ARG 579 7.820 3.823 7.436 465 HB3 ARG 579 2HB ARG 579 7.455 2.094 7.539 466 HG2 ARG 579 1HG ARG 579 9.593 1.720 8.756 467 HG3 ARG 579 2HG ARG 579 9.816 3.476 8.837 468 HD2 ARG 579 1HD ARG 579 7.704 3.705 10.083 469 HD3 ARG 579 2HD ARG 579 7.376 1.972 9.919 470 HH11 ARG 579 2HH2 ARG 579 7.701 0.270 10.943 471 HH12 ARG 579 1HH2 ARG 579 8.748 -0.697 11.895 472 HH21 ARG 579 2HH1 ARG 579 10.869 2.025 12.811 473 HH22 ARG 579 1HH1 ARG 579 10.557 0.335 13.041 474 H PHE 580 H PHE 580 10.185 0.359 5.223 475 HA PHE 580 HA PHE 580 7.900 0.109 3.324 476 HD1 PHE 580 2HD PHE 580 8.095 1.215 1.536 477 HD2 PHE 580 1HD PHE 580 12.331 0.518 1.971 478 HE1 PHE 580 2HE PHE 580 8.525 2.823 -0.197 479 HE2 PHE 580 1HE PHE 580 12.769 2.208 0.245 480 HZ PHE 580 HZ PHE 580 10.880 3.364 -0.890 481 HB2 PHE 580 1HB PHE 580 10.811 -0.729 3.323 482 HB3 PHE 580 2HB PHE 580 9.675 -1.418 2.181 483 H PHE 581 H PHE 581 6.796 -1.909 3.146 484 HA PHE 581 HA PHE 581 7.730 -4.147 4.845 485 HD1 PHE 581 2HD PHE 581 7.133 -5.310 6.900 486 HD2 PHE 581 1HD PHE 581 3.404 -5.219 4.752 487 HE1 PHE 581 2HE PHE 581 6.551 -7.501 7.868 488 HE2 PHE 581 1HE PHE 581 2.842 -7.487 5.689 489 HZ PHE 581 HZ PHE 581 4.410 -8.610 7.226 490 HB2 PHE 581 1HB PHE 581 5.983 -3.134 6.115 491 HB3 PHE 581 2HB PHE 581 4.842 -3.247 4.779 492 H PHE 582 H PHE 582 8.536 -5.282 3.114 493 HA PHE 582 HA PHE 582 7.134 -5.421 0.558 494 HD1 PHE 582 1HD PHE 582 8.958 -5.201 -1.554 495 HD2 PHE 582 2HD PHE 582 11.166 -5.121 2.117 496 HE1 PHE 582 1HE PHE 582 10.215 -3.200 -2.356 497 HE2 PHE 582 2HE PHE 582 12.357 -3.094 1.355 498 HZ PHE 582 HZ PHE 582 11.915 -2.112 -0.857 499 HB2 PHE 582 1HB PHE 582 9.505 -6.799 1.804 500 HB3 PHE 582 2HB PHE 582 8.934 -7.142 0.195 501 H TYR 583 H TYR 583 5.904 -7.160 -0.246 502 HA TYR 583 HA TYR 583 5.569 -9.644 1.281 503 HD1 TYR 583 1HD TYR 583 1.809 -9.169 -0.455 504 HD2 TYR 583 2HD TYR 583 3.645 -5.754 1.401 505 HE1 TYR 583 1HE TYR 583 0.406 -7.691 -1.838 506 HE2 TYR 583 2HE TYR 583 2.172 -4.260 0.062 507 HH TYR 583 HH TYR 583 0.795 -4.116 -1.681 508 HB2 TYR 583 1HB TYR 583 3.219 -9.409 1.548 509 HB3 TYR 583 2HB TYR 583 3.985 -8.030 2.306 510 H THR 584 H THR 584 3.783 -11.032 0.092 511 HA THR 584 HA THR 584 4.359 -10.951 -2.800 512 HB THR 584 HB THR 584 3.922 -13.458 -2.545 513 HG1 THR 584 1HG THR 584 4.318 -14.027 -0.187 514 HG21 THR 584 3HG2 THR 584 6.245 -12.087 -1.110 515 HG22 THR 584 1HG2 THR 584 6.129 -13.837 -1.296 516 HG23 THR 584 2HG2 THR 584 6.189 -12.817 -2.726 517 H SER 585 H SER 585 2.664 -11.159 -4.332 518 HA SER 585 HA SER 585 0.085 -10.360 -3.417 519 HG SER 585 HG SER 585 1.661 -9.743 -6.726 520 HB2 SER 585 1HB SER 585 -0.154 -11.295 -6.063 521 HB3 SER 585 2HB SER 585 0.066 -9.636 -5.483 522 H LYS 586 H LYS 586 1.550 -13.496 -3.832 523 HA LYS 586 HA LYS 586 -0.944 -14.965 -4.098 524 HB2 LYS 586 1HB LYS 586 1.838 -15.871 -3.238 525 HB3 LYS 586 2HB LYS 586 0.462 -16.938 -3.597 526 HG2 LYS 586 1HG LYS 586 0.264 -15.808 -5.838 527 HG3 LYS 586 2HG LYS 586 1.814 -15.012 -5.554 528 HD2 LYS 586 1HD LYS 586 1.408 -18.032 -5.492 529 HD3 LYS 586 2HD LYS 586 1.994 -17.129 -6.893 530 HE2 LYS 586 1HE LYS 586 3.875 -16.216 -5.555 531 HE3 LYS 586 2HE LYS 586 3.309 -17.115 -4.132 532 HZ1 LYS 586 3HZ LYS 586 4.236 -18.355 -6.643 533 HZ2 LYS 586 1HZ LYS 586 5.105 -18.197 -5.250 534 HZ3 LYS 586 2HZ LYS 586 3.748 -19.139 -5.275 535 H GLU 587 H GLU 587 0.777 -13.653 -1.406 536 HA GLU 587 HA GLU 587 -0.296 -15.314 0.655 537 HB2 GLU 587 1HB GLU 587 1.295 -12.967 0.623 538 HB3 GLU 587 2HB GLU 587 -0.192 -12.469 1.427 539 HG2 GLU 587 1HG GLU 587 1.179 -13.182 3.168 540 HG3 GLU 587 2HG GLU 587 0.087 -14.520 2.938 541 HA PRO 588 HA PRO 588 -4.621 -14.231 0.264 542 HB2 PRO 588 1HB PRO 588 -4.954 -14.261 3.220 543 HB3 PRO 588 2HB PRO 588 -5.724 -15.305 1.992 544 HG2 PRO 588 1HG PRO 588 -3.784 -16.239 3.710 545 HG3 PRO 588 2HG PRO 588 -3.939 -16.818 2.023 546 HD2 PRO 588 1HD PRO 588 -2.077 -14.709 3.109 547 HD3 PRO 588 2HD PRO 588 -1.672 -16.058 2.034 548 H VAL 589 H VAL 589 -5.428 -12.161 -0.034 549 HA VAL 589 HA VAL 589 -4.419 -9.793 0.974 550 HB VAL 589 HB VAL 589 -7.349 -10.489 0.419 551 HG11 VAL 589 1HG1 VAL 589 -5.966 -7.762 0.437 552 HG12 VAL 589 2HG1 VAL 589 -7.643 -8.082 -0.076 553 HG13 VAL 589 3HG1 VAL 589 -7.179 -8.335 1.599 554 HG21 VAL 589 3HG2 VAL 589 -6.932 -9.561 -1.839 555 HG22 VAL 589 1HG2 VAL 589 -5.236 -9.314 -1.412 556 HG23 VAL 589 2HG2 VAL 589 -5.918 -10.962 -1.547 557 H ALA 590 H ALA 590 -6.871 -11.897 2.486 558 HA ALA 590 HA ALA 590 -7.471 -10.462 4.785 559 HB1 ALA 590 1HB ALA 590 -8.118 -12.651 5.700 560 HB2 ALA 590 2HB ALA 590 -8.602 -12.526 4.020 561 HB3 ALA 590 3HB ALA 590 -7.168 -13.486 4.459 562 H SER 591 H SER 591 -4.771 -12.887 4.473 563 HA SER 591 HA SER 591 -3.880 -12.490 7.165 564 HG SER 591 HG SER 591 -0.865 -13.975 6.403 565 HB2 SER 591 1HB SER 591 -3.376 -14.512 5.719 566 HB3 SER 591 2HB SER 591 -2.202 -13.501 4.844 567 H ILE 592 H ILE 592 -2.699 -11.194 3.956 568 HA ILE 592 HA ILE 592 -0.600 -9.853 5.089 569 HB ILE 592 HB ILE 592 -1.610 -10.423 2.544 570 HG12 ILE 592 1HG1 ILE 592 0.652 -10.712 3.400 571 HG13 ILE 592 2HG1 ILE 592 0.660 -9.897 1.843 572 HG21 ILE 592 1HG2 ILE 592 -2.722 -8.313 2.268 573 HG22 ILE 592 2HG2 ILE 592 -1.245 -7.423 2.690 574 HG23 ILE 592 3HG2 ILE 592 -1.300 -8.397 1.217 575 HD11 ILE 592 3HD1 ILE 592 0.782 -8.327 4.430 576 HD12 ILE 592 1HD1 ILE 592 2.222 -8.989 3.657 577 HD13 ILE 592 2HD1 ILE 592 1.204 -7.808 2.794 578 H ILE 593 H ILE 593 -3.951 -8.748 4.661 579 HA ILE 593 HA ILE 593 -3.492 -6.048 5.550 580 HB ILE 593 HB ILE 593 -5.878 -7.891 5.253 581 HG12 ILE 593 1HG1 ILE 593 -5.064 -5.180 4.074 582 HG13 ILE 593 2HG1 ILE 593 -4.887 -6.744 3.283 583 HG21 ILE 593 1HG2 ILE 593 -5.956 -5.171 6.564 584 HG22 ILE 593 2HG2 ILE 593 -7.380 -6.074 5.988 585 HG23 ILE 593 3HG2 ILE 593 -6.414 -6.727 7.297 586 HD11 ILE 593 3HD1 ILE 593 -7.433 -6.977 3.427 587 HD12 ILE 593 1HD1 ILE 593 -7.460 -5.262 3.892 588 HD13 ILE 593 2HD1 ILE 593 -6.804 -5.734 2.322 589 H THR 594 H THR 594 -4.632 -8.957 7.368 590 HA THR 594 HA THR 594 -4.428 -8.078 9.914 591 HB THR 594 HB THR 594 -3.367 -10.812 9.134 592 HG1 THR 594 1HG THR 594 -5.287 -10.483 8.000 593 HG21 THR 594 3HG2 THR 594 -3.349 -10.323 11.547 594 HG22 THR 594 1HG2 THR 594 -5.028 -9.791 11.480 595 HG23 THR 594 2HG2 THR 594 -4.609 -11.496 11.164 596 H LYS 595 H LYS 595 -1.406 -8.649 7.902 597 HA LYS 595 HA LYS 595 0.385 -8.463 10.080 598 HB2 LYS 595 1HB LYS 595 0.809 -7.333 7.290 599 HB3 LYS 595 2HB LYS 595 2.002 -7.953 8.388 600 HG2 LYS 595 1HG LYS 595 -0.080 -9.642 7.080 601 HG3 LYS 595 2HG LYS 595 1.462 -9.327 6.327 602 HD2 LYS 595 1HD LYS 595 0.711 -11.502 7.765 603 HD3 LYS 595 2HD LYS 595 2.368 -11.034 7.346 604 HE2 LYS 595 1HE LYS 595 2.384 -9.711 9.504 605 HE3 LYS 595 2HE LYS 595 0.879 -10.519 9.947 606 HZ1 LYS 595 3HZ LYS 595 1.970 -12.625 9.838 607 HZ2 LYS 595 1HZ LYS 595 3.391 -11.960 9.346 608 HZ3 LYS 595 2HZ LYS 595 2.783 -11.653 10.871 609 H LEU 596 H LEU 596 -1.343 -6.040 8.156 610 HA LEU 596 HA LEU 596 0.155 -3.770 9.223 611 HG LEU 596 HG LEU 596 -1.031 -5.002 6.312 612 HB2 LEU 596 1HB LEU 596 -2.518 -3.720 7.784 613 HB3 LEU 596 2HB LEU 596 -1.333 -2.430 7.917 614 HD11 LEU 596 1HD1 LEU 596 -1.492 -2.138 5.434 615 HD12 LEU 596 2HD1 LEU 596 -1.138 -3.501 4.354 616 HD13 LEU 596 3HD1 LEU 596 -2.623 -3.498 5.309 617 HD21 LEU 596 3HD2 LEU 596 1.176 -4.348 7.114 618 HD22 LEU 596 1HD2 LEU 596 1.037 -3.978 5.393 619 HD23 LEU 596 2HD2 LEU 596 0.914 -2.679 6.591 620 H ASN 597 H ASN 597 -2.875 -5.470 9.839 621 HA ASN 597 HA ASN 597 -4.044 -3.610 11.682 622 HB2 ASN 597 1HB ASN 597 -4.390 -6.631 11.620 623 HB3 ASN 597 2HB ASN 597 -5.446 -5.474 12.418 624 HD21 ASN 597 1HD2 ASN 597 -6.581 -7.123 10.711 625 HD22 ASN 597 2HD2 ASN 597 -6.975 -6.380 9.183 626 H SER 598 H SER 598 -1.715 -6.346 12.170 627 HA SER 598 HA SER 598 -1.987 -6.343 15.003 628 HG SER 598 HG SER 598 1.493 -7.678 13.837 629 HB2 SER 598 1HB SER 598 -0.082 -7.752 15.062 630 HB3 SER 598 2HB SER 598 -1.011 -8.195 13.631 631 H LEU 599 H LEU 599 0.229 -4.756 12.818 632 HA LEU 599 HA LEU 599 1.818 -3.333 14.710 633 HG LEU 599 HG LEU 599 2.187 -5.057 12.226 634 HB2 LEU 599 1HB LEU 599 1.240 -2.730 11.782 635 HB3 LEU 599 2HB LEU 599 2.577 -2.070 12.720 636 HD11 LEU 599 1HD1 LEU 599 3.998 -3.113 10.740 637 HD12 LEU 599 2HD1 LEU 599 3.912 -4.867 10.483 638 HD13 LEU 599 3HD1 LEU 599 2.523 -3.846 10.083 639 HD21 LEU 599 3HD2 LEU 599 4.658 -3.555 13.125 640 HD22 LEU 599 1HD2 LEU 599 3.610 -4.538 14.175 641 HD23 LEU 599 2HD2 LEU 599 4.496 -5.307 12.855 642 H ASN 600 H ASN 600 -1.026 -2.400 12.752 643 HA ASN 600 HA ASN 600 -2.661 -0.925 12.978 644 HB2 ASN 600 1HB ASN 600 -2.886 -1.982 15.209 645 HB3 ASN 600 2HB ASN 600 -1.913 -0.671 15.888 646 HD21 ASN 600 1HD2 ASN 600 -3.826 -0.290 17.235 647 HD22 ASN 600 2HD2 ASN 600 -5.220 0.536 16.580 648 H GLU 601 H GLU 601 0.144 -0.116 12.334 649 HA GLU 601 HA GLU 601 0.388 2.608 13.264 650 HB2 GLU 601 1HB GLU 601 1.911 0.964 11.217 651 HB3 GLU 601 2HB GLU 601 2.351 2.601 11.641 652 HG2 GLU 601 1HG GLU 601 1.987 0.832 14.015 653 HG3 GLU 601 2HG GLU 601 3.174 0.247 12.887 654 HA PRO 602 HA PRO 602 -1.884 4.267 9.798 655 HB2 PRO 602 1HB PRO 602 -0.671 6.730 9.395 656 HB3 PRO 602 2HB PRO 602 -1.827 6.373 10.699 657 HG2 PRO 602 1HG PRO 602 1.170 6.554 10.854 658 HG3 PRO 602 2HG PRO 602 -0.082 6.955 12.093 659 HD2 PRO 602 1HD PRO 602 1.448 4.643 12.068 660 HD3 PRO 602 2HD PRO 602 -0.104 4.848 12.918 661 H LEU 603 H LEU 603 -1.838 4.048 7.666 662 HA LEU 603 HA LEU 603 0.820 3.596 6.368 663 HG LEU 603 HG LEU 603 -0.082 1.605 7.922 664 HB2 LEU 603 1HB LEU 603 -1.778 2.200 5.660 665 HB3 LEU 603 2HB LEU 603 -0.197 1.856 5.041 666 HD11 LEU 603 1HD1 LEU 603 -2.322 -0.022 6.637 667 HD12 LEU 603 2HD1 LEU 603 -1.706 -0.173 8.297 668 HD13 LEU 603 3HD1 LEU 603 -2.536 1.305 7.813 669 HD21 LEU 603 3HD2 LEU 603 0.661 -0.623 7.431 670 HD22 LEU 603 1HD2 LEU 603 0.003 -0.536 5.766 671 HD23 LEU 603 2HD2 LEU 603 1.357 0.492 6.245 672 H VAL 604 H VAL 604 0.763 3.778 3.999 673 HA VAL 604 HA VAL 604 -1.513 5.110 2.751 674 HB VAL 604 HB VAL 604 -0.390 7.088 3.316 675 HG11 VAL 604 1HG1 VAL 604 2.273 5.774 2.753 676 HG12 VAL 604 2HG1 VAL 604 2.062 7.524 2.923 677 HG13 VAL 604 3HG1 VAL 604 1.652 6.448 4.262 678 HG21 VAL 604 3HG2 VAL 604 0.656 7.896 1.130 679 HG22 VAL 604 1HG2 VAL 604 0.333 6.299 0.482 680 HG23 VAL 604 2HG2 VAL 604 -1.009 7.275 1.066 681 H THR 605 H THR 605 -1.926 3.679 1.162 682 HA THR 605 HA THR 605 0.175 2.625 -0.515 683 HB THR 605 HB THR 605 0.295 1.097 1.372 684 HG1 THR 605 1HG THR 605 0.665 0.311 -0.619 685 HG21 THR 605 3HG2 THR 605 -1.510 -0.397 2.016 686 HG22 THR 605 1HG2 THR 605 -1.967 1.285 2.319 687 HG23 THR 605 2HG2 THR 605 -2.629 0.425 0.918 688 H MET 606 H MET 606 -1.370 0.820 -1.931 689 HA MET 606 HA MET 606 -3.776 2.364 -2.805 690 HB2 MET 606 1HB MET 606 -3.539 1.182 -4.965 691 HB3 MET 606 2HB MET 606 -2.139 2.151 -4.599 692 HG2 MET 606 1HG MET 606 -0.800 0.436 -4.271 693 HG3 MET 606 2HG MET 606 -2.028 -0.671 -3.640 694 HE1 MET 606 3HE MET 606 -0.292 -0.700 -7.747 695 HE2 MET 606 1HE MET 606 -0.366 0.817 -6.811 696 HE3 MET 606 2HE MET 606 0.445 -0.613 -6.129 697 HA PRO 607 HA PRO 607 -6.187 -0.955 -1.276 698 HB2 PRO 607 1HB PRO 607 -7.530 -1.987 -3.594 699 HB3 PRO 607 2HB PRO 607 -8.169 -0.910 -2.330 700 HG2 PRO 607 1HG PRO 607 -7.564 -0.250 -4.999 701 HG3 PRO 607 2HG PRO 607 -7.918 0.926 -3.684 702 HD2 PRO 607 1HD PRO 607 -5.340 0.084 -4.904 703 HD3 PRO 607 2HD PRO 607 -5.702 1.618 -4.072 704 H ILE 608 H ILE 608 -5.004 -2.464 -0.628 705 HA ILE 608 HA ILE 608 -2.966 -3.817 -1.897 706 HB ILE 608 HB ILE 608 -4.542 -4.564 0.592 707 HG12 ILE 608 1HG1 ILE 608 -3.346 -2.405 0.701 708 HG13 ILE 608 2HG1 ILE 608 -2.769 -3.581 1.863 709 HG21 ILE 608 1HG2 ILE 608 -2.556 -5.922 1.290 710 HG22 ILE 608 2HG2 ILE 608 -3.507 -6.639 -0.019 711 HG23 ILE 608 3HG2 ILE 608 -1.959 -5.836 -0.381 712 HD11 ILE 608 3HD1 ILE 608 -1.351 -2.870 -0.742 713 HD12 ILE 608 1HD1 ILE 608 -0.929 -2.314 0.879 714 HD13 ILE 608 2HD1 ILE 608 -0.769 -4.022 0.493 715 H GLY 609 H GLY 609 -6.225 -5.167 -1.253 716 HA2 GLY 609 1HA GLY 609 -5.659 -7.509 -2.968 717 HA3 GLY 609 2HA GLY 609 -7.117 -7.203 -2.011 718 H TYR 610 H TYR 610 -5.343 -5.955 -4.822 719 HA TYR 610 HA TYR 610 -7.916 -5.401 -6.215 720 HD1 TYR 610 2HD TYR 610 -9.229 -4.067 -7.167 721 HD2 TYR 610 1HD TYR 610 -5.664 -1.653 -7.708 722 HE1 TYR 610 2HE TYR 610 -10.325 -2.841 -8.924 723 HE2 TYR 610 1HE TYR 610 -6.800 -0.422 -9.518 724 HH TYR 610 HH TYR 610 -8.793 -0.694 -11.102 725 HB2 TYR 610 1HB TYR 610 -7.042 -3.296 -5.235 726 HB3 TYR 610 2HB TYR 610 -5.578 -3.472 -6.196 727 H VAL 611 H VAL 611 -6.311 -4.449 -8.494 728 HA VAL 611 HA VAL 611 -5.812 -6.436 -10.165 729 HB VAL 611 HB VAL 611 -4.231 -3.888 -9.670 730 HG11 VAL 611 1HG1 VAL 611 -2.758 -5.202 -11.041 731 HG12 VAL 611 2HG1 VAL 611 -4.087 -5.682 -12.120 732 HG13 VAL 611 3HG1 VAL 611 -3.540 -3.990 -12.048 733 HG21 VAL 611 3HG2 VAL 611 -6.482 -4.589 -11.613 734 HG22 VAL 611 1HG2 VAL 611 -6.654 -3.611 -10.158 735 HG23 VAL 611 2HG2 VAL 611 -5.667 -3.016 -11.479 736 H THR 612 H THR 612 -3.296 -5.535 -7.641 737 HA THR 612 HA THR 612 -1.369 -7.374 -8.628 738 HB THR 612 HB THR 612 -0.424 -7.048 -6.278 739 HG1 THR 612 1HG THR 612 -1.536 -5.272 -5.170 740 HG21 THR 612 3HG2 THR 612 0.077 -5.547 -8.259 741 HG22 THR 612 1HG2 THR 612 -1.204 -4.456 -7.701 742 HG23 THR 612 2HG2 THR 612 0.219 -4.755 -6.684 743 H HIS 613 H HIS 613 -4.196 -7.836 -6.659 744 HA HIS 613 HA HIS 613 -3.504 -10.637 -6.020 745 HD1 HIS 613 1HD HIS 613 -3.192 -7.555 -3.734 746 HD2 HIS 613 2HD HIS 613 -3.986 -11.670 -2.933 747 HE1 HIS 613 1HE HIS 613 -1.690 -8.273 -1.786 748 HE2 HIS 613 2HE HIS 613 -2.111 -10.750 -1.367 749 HB2 HIS 613 1HB HIS 613 -5.540 -8.745 -4.872 750 HB3 HIS 613 2HB HIS 613 -5.619 -10.482 -4.622 751 H GLY 614 H GLY 614 -4.666 -9.156 -8.703 752 HA2 GLY 614 1HA GLY 614 -6.154 -9.669 -10.335 753 HA3 GLY 614 2HA GLY 614 -6.275 -11.292 -9.646 754 H PHE 615 H PHE 615 -7.153 -8.247 -7.944 755 HA PHE 615 HA PHE 615 -9.932 -9.302 -7.545 756 HD1 PHE 615 1HD PHE 615 -8.383 -10.777 -6.169 757 HD2 PHE 615 2HD PHE 615 -9.813 -7.710 -3.522 758 HE1 PHE 615 1HE PHE 615 -8.410 -12.398 -4.301 759 HE2 PHE 615 2HE PHE 615 -9.815 -9.280 -1.656 760 HZ PHE 615 HZ PHE 615 -9.132 -11.685 -2.032 761 HB2 PHE 615 1HB PHE 615 -8.074 -7.583 -5.962 762 HB3 PHE 615 2HB PHE 615 -9.793 -7.317 -5.819 763 H ASN 616 H ASN 616 -11.514 -7.658 -7.413 764 HA ASN 616 HA ASN 616 -11.233 -5.433 -9.374 765 HB2 ASN 616 1HB ASN 616 -13.690 -5.477 -9.544 766 HB3 ASN 616 2HB ASN 616 -13.001 -7.014 -10.033 767 HD21 ASN 616 1HD2 ASN 616 -13.724 -8.915 -9.038 768 HD22 ASN 616 2HD2 ASN 616 -14.681 -8.895 -7.585 769 H LEU 617 H LEU 617 -12.862 -3.586 -8.678 770 HA LEU 617 HA LEU 617 -11.456 -2.612 -6.366 771 HG LEU 617 HG LEU 617 -13.025 -0.058 -5.825 772 HB2 LEU 617 1HB LEU 617 -12.108 -1.298 -8.458 773 HB3 LEU 617 2HB LEU 617 -13.770 -1.315 -7.859 774 HD11 LEU 617 1HD1 LEU 617 -10.328 0.013 -7.274 775 HD12 LEU 617 2HD1 LEU 617 -10.761 1.027 -5.883 776 HD13 LEU 617 3HD1 LEU 617 -10.649 -0.722 -5.686 777 HD21 LEU 617 3HD2 LEU 617 -12.248 1.219 -8.480 778 HD22 LEU 617 1HD2 LEU 617 -13.886 1.133 -7.809 779 HD23 LEU 617 2HD2 LEU 617 -12.649 2.086 -6.983 780 H GLU 618 H GLU 618 -14.717 -3.808 -6.942 781 HA GLU 618 HA GLU 618 -15.946 -3.002 -4.479 782 HB2 GLU 618 1HB GLU 618 -17.100 -3.582 -6.565 783 HB3 GLU 618 2HB GLU 618 -16.467 -5.218 -6.506 784 HG2 GLU 618 1HG GLU 618 -17.764 -5.575 -4.369 785 HG3 GLU 618 2HG GLU 618 -18.461 -3.961 -4.577 786 H GLU 619 H GLU 619 -14.341 -6.072 -5.556 787 HA GLU 619 HA GLU 619 -14.361 -7.355 -3.031 788 HB2 GLU 619 1HB GLU 619 -12.801 -7.532 -5.650 789 HB3 GLU 619 2HB GLU 619 -12.166 -8.396 -4.253 790 HG2 GLU 619 1HG GLU 619 -15.088 -8.730 -4.988 791 HG3 GLU 619 2HG GLU 619 -13.822 -9.578 -5.871 792 H ALA 620 H ALA 620 -11.762 -5.343 -4.572 793 HA ALA 620 HA ALA 620 -10.022 -5.414 -2.418 794 HB1 ALA 620 1HB ALA 620 -9.688 -4.268 -4.709 795 HB2 ALA 620 2HB ALA 620 -10.503 -2.851 -4.007 796 HB3 ALA 620 3HB ALA 620 -8.989 -3.495 -3.295 797 H ALA 621 H ALA 621 -12.770 -3.223 -2.824 798 HA ALA 621 HA ALA 621 -12.423 -1.696 -0.464 799 HB1 ALA 621 1HB ALA 621 -14.945 -1.334 -0.889 800 HB2 ALA 621 2HB ALA 621 -13.838 -0.866 -2.195 801 HB3 ALA 621 3HB ALA 621 -14.763 -2.377 -2.289 802 H ARG 622 H ARG 622 -14.568 -4.595 -1.112 803 HA ARG 622 HA ARG 622 -15.561 -4.611 1.519 804 HE ARG 622 HE ARG 622 -17.240 -8.915 0.479 805 HB2 ARG 622 1HB ARG 622 -16.687 -6.518 0.976 806 HB3 ARG 622 2HB ARG 622 -16.459 -5.674 -0.562 807 HG2 ARG 622 1HG ARG 622 -16.113 -7.739 -1.205 808 HG3 ARG 622 2HG ARG 622 -14.484 -7.219 -0.938 809 HD2 ARG 622 1HD ARG 622 -14.602 -9.404 -0.086 810 HD3 ARG 622 2HD ARG 622 -14.528 -8.352 1.318 811 HH11 ARG 622 2HH2 ARG 622 -14.654 -10.213 2.573 812 HH12 ARG 622 1HH2 ARG 622 -15.529 -11.692 2.871 813 HH21 ARG 622 2HH1 ARG 622 -18.421 -10.780 1.149 814 HH22 ARG 622 1HH1 ARG 622 -17.700 -11.837 2.329 815 H CYS 623 H CYS 623 -12.879 -6.329 0.059 816 HA CYS 623 HA CYS 623 -12.081 -7.816 2.347 817 HG CYS 623 HG CYS 623 -11.238 -9.906 0.695 818 HB2 CYS 623 1HB CYS 623 -11.313 -7.786 -0.270 819 HB3 CYS 623 2HB CYS 623 -9.937 -6.937 0.431 820 H MET 624 H MET 624 -11.388 -4.440 1.444 821 HA MET 624 HA MET 624 -9.321 -4.022 3.425 822 HB2 MET 624 1HB MET 624 -10.862 -2.355 1.472 823 HB3 MET 624 2HB MET 624 -10.230 -1.526 2.868 824 HG2 MET 624 1HG MET 624 -8.354 -3.337 1.362 825 HG3 MET 624 2HG MET 624 -8.807 -1.797 0.656 826 HE1 MET 624 3HE MET 624 -7.045 -0.097 0.672 827 HE2 MET 624 1HE MET 624 -5.740 0.046 1.845 828 HE3 MET 624 2HE MET 624 -5.851 -1.417 0.845 829 H ARG 625 H ARG 625 -12.849 -4.276 3.732 830 HA ARG 625 HA ARG 625 -13.024 -2.678 6.137 831 HE ARG 625 HE ARG 625 -17.518 -1.996 3.443 832 HB2 ARG 625 1HB ARG 625 -14.613 -5.105 5.206 833 HB3 ARG 625 2HB ARG 625 -14.993 -4.105 6.592 834 HG2 ARG 625 1HG ARG 625 -15.179 -2.102 5.022 835 HG3 ARG 625 2HG ARG 625 -15.031 -3.260 3.675 836 HD2 ARG 625 1HD ARG 625 -16.953 -4.531 4.943 837 HD3 ARG 625 2HD ARG 625 -17.227 -2.978 5.742 838 HH11 ARG 625 2HH2 ARG 625 -18.780 -5.163 4.434 839 HH12 ARG 625 1HH2 ARG 625 -19.657 -5.404 2.975 840 HH21 ARG 625 2HH1 ARG 625 -18.648 -2.438 1.390 841 HH22 ARG 625 1HH1 ARG 625 -19.400 -3.997 1.187 842 H SER 626 H SER 626 -11.536 -5.761 5.493 843 HA SER 626 HA SER 626 -11.486 -6.633 8.291 844 HG SER 626 HG SER 626 -11.085 -8.831 5.278 845 HB2 SER 626 1HB SER 626 -9.645 -7.483 6.041 846 HB3 SER 626 2HB SER 626 -10.158 -8.434 7.433 847 H LEU 627 H LEU 627 -9.869 -4.096 6.630 848 HA LEU 627 HA LEU 627 -7.369 -4.372 8.153 849 HG LEU 627 HG LEU 627 -6.621 -1.491 8.100 850 HB2 LEU 627 1HB LEU 627 -7.416 -3.321 5.798 851 HB3 LEU 627 2HB LEU 627 -8.514 -2.109 6.439 852 HD11 LEU 627 1HD1 LEU 627 -4.963 -2.829 5.910 853 HD12 LEU 627 2HD1 LEU 627 -4.345 -1.801 7.229 854 HD13 LEU 627 3HD1 LEU 627 -5.061 -3.362 7.594 855 HD21 LEU 627 3HD2 LEU 627 -6.283 -0.873 5.143 856 HD22 LEU 627 1HD2 LEU 627 -7.453 -0.090 6.224 857 HD23 LEU 627 2HD2 LEU 627 -5.732 0.098 6.533 858 H LYS 628 H LYS 628 -6.998 -3.225 9.948 859 HA LYS 628 HA LYS 628 -9.256 -1.697 11.159 860 HB2 LYS 628 1HB LYS 628 -7.322 -3.561 12.555 861 HB3 LYS 628 2HB LYS 628 -8.651 -2.705 13.316 862 HG2 LYS 628 1HG LYS 628 -9.310 -4.607 11.032 863 HG3 LYS 628 2HG LYS 628 -8.787 -5.286 12.533 864 HD2 LYS 628 1HD LYS 628 -11.224 -5.225 12.234 865 HD3 LYS 628 2HD LYS 628 -10.654 -4.455 13.732 866 HE2 LYS 628 1HE LYS 628 -10.961 -2.239 12.764 867 HE3 LYS 628 2HE LYS 628 -11.413 -2.934 11.200 868 HZ1 LYS 628 3HZ LYS 628 -13.437 -3.719 12.127 869 HZ2 LYS 628 1HZ LYS 628 -12.960 -3.416 13.683 870 HZ3 LYS 628 2HZ LYS 628 -13.258 -2.184 12.612 871 H ALA 629 H ALA 629 -5.894 -1.658 10.266 872 HA ALA 629 HA ALA 629 -5.159 0.613 11.915 873 HB1 ALA 629 1HB ALA 629 -3.879 -0.574 9.407 874 HB2 ALA 629 2HB ALA 629 -3.107 0.492 10.601 875 HB3 ALA 629 3HB ALA 629 -3.561 -1.165 11.048 876 HA PRO 630 HA PRO 630 -6.719 3.508 8.857 877 HB2 PRO 630 1HB PRO 630 -5.349 5.796 9.457 878 HB3 PRO 630 2HB PRO 630 -6.617 5.087 10.490 879 HG2 PRO 630 1HG PRO 630 -3.645 4.997 10.842 880 HG3 PRO 630 2HG PRO 630 -4.926 5.075 12.083 881 HD2 PRO 630 1HD PRO 630 -3.541 2.764 11.239 882 HD3 PRO 630 2HD PRO 630 -5.056 2.794 12.182 883 H ALA 631 H ALA 631 -6.091 2.771 6.800 884 HA ALA 631 HA ALA 631 -3.420 3.566 5.785 885 HB1 ALA 631 1HB ALA 631 -4.004 1.195 5.420 886 HB2 ALA 631 2HB ALA 631 -5.506 1.686 4.598 887 HB3 ALA 631 3HB ALA 631 -3.932 2.088 3.886 888 H VAL 632 H VAL 632 -3.361 5.238 4.480 889 HA VAL 632 HA VAL 632 -5.693 6.348 3.058 890 HB VAL 632 HB VAL 632 -2.720 6.902 2.916 891 HG11 VAL 632 1HG1 VAL 632 -3.515 7.096 0.602 892 HG12 VAL 632 2HG1 VAL 632 -4.884 8.094 1.133 893 HG13 VAL 632 3HG1 VAL 632 -3.224 8.694 1.274 894 HG21 VAL 632 3HG2 VAL 632 -5.092 8.691 3.586 895 HG22 VAL 632 1HG2 VAL 632 -4.014 7.934 4.780 896 HG23 VAL 632 2HG2 VAL 632 -3.379 9.143 3.649 897 H VAL 633 H VAL 633 -6.212 5.842 0.911 898 HA VAL 633 HA VAL 633 -5.019 3.315 -0.161 899 HB VAL 633 HB VAL 633 -7.974 4.027 -0.154 900 HG11 VAL 633 1HG1 VAL 633 -7.205 2.584 -1.999 901 HG12 VAL 633 2HG1 VAL 633 -6.384 1.515 -0.834 902 HG13 VAL 633 3HG1 VAL 633 -8.151 1.648 -0.849 903 HG21 VAL 633 3HG2 VAL 633 -6.406 2.247 1.746 904 HG22 VAL 633 1HG2 VAL 633 -7.447 3.634 2.149 905 HG23 VAL 633 2HG2 VAL 633 -8.169 2.156 1.505 906 H SER 634 H SER 634 -3.937 4.174 -1.947 907 HA SER 634 HA SER 634 -5.043 6.359 -3.519 908 HG SER 634 HG SER 634 -2.636 6.482 -5.555 909 HB2 SER 634 1HB SER 634 -2.595 5.919 -2.863 910 HB3 SER 634 2HB SER 634 -2.554 4.758 -4.208 911 H VAL 635 H VAL 635 -6.809 5.740 -4.755 912 HA VAL 635 HA VAL 635 -6.689 3.352 -6.500 913 HB VAL 635 HB VAL 635 -8.707 4.408 -7.548 914 HG11 VAL 635 1HG1 VAL 635 -10.240 3.678 -5.751 915 HG12 VAL 635 2HG1 VAL 635 -8.868 2.565 -5.904 916 HG13 VAL 635 3HG1 VAL 635 -8.914 3.739 -4.573 917 HG21 VAL 635 3HG2 VAL 635 -9.954 6.108 -6.429 918 HG22 VAL 635 1HG2 VAL 635 -8.837 6.172 -5.077 919 HG23 VAL 635 2HG2 VAL 635 -8.331 6.760 -6.678 920 H SER 636 H SER 636 -7.189 3.976 -8.967 921 HA SER 636 HA SER 636 -4.862 5.368 -9.830 922 HG SER 636 HG SER 636 -5.708 4.217 -13.081 923 HB2 SER 636 1HB SER 636 -6.010 3.421 -10.993 924 HB3 SER 636 2HB SER 636 -7.264 4.547 -11.508 925 H SER 637 H SER 637 -8.334 6.270 -9.723 926 HA SER 637 HA SER 637 -7.677 8.847 -11.061 927 HG SER 637 HG SER 637 -8.922 6.437 -13.212 928 HB2 SER 637 1HB SER 637 -10.354 7.630 -11.318 929 HB3 SER 637 2HB SER 637 -9.343 8.388 -12.553 930 HA PRO 638 HA PRO 638 -9.821 10.691 -7.747 931 HB2 PRO 638 1HB PRO 638 -10.819 13.040 -8.836 932 HB3 PRO 638 2HB PRO 638 -9.092 12.769 -8.484 933 HG2 PRO 638 1HG PRO 638 -10.525 12.449 -11.135 934 HG3 PRO 638 2HG PRO 638 -8.936 13.222 -10.812 935 HD2 PRO 638 1HD PRO 638 -9.150 10.674 -11.736 936 HD3 PRO 638 2HD PRO 638 -7.843 11.175 -10.618 937 H ASP 639 H ASP 639 -11.683 10.195 -10.716 938 HA ASP 639 HA ASP 639 -14.293 10.374 -9.501 939 HB2 ASP 639 1HB ASP 639 -13.826 10.584 -11.896 940 HB3 ASP 639 2HB ASP 639 -13.242 8.920 -11.966 941 H ALA 640 H ALA 640 -11.831 7.858 -9.647 942 HA ALA 640 HA ALA 640 -13.576 5.608 -9.077 943 HB1 ALA 640 1HB ALA 640 -11.536 4.339 -8.941 944 HB2 ALA 640 2HB ALA 640 -11.291 5.513 -10.258 945 HB3 ALA 640 3HB ALA 640 -10.555 5.785 -8.677 946 H VAL 641 H VAL 641 -11.943 8.029 -7.191 947 HA VAL 641 HA VAL 641 -11.524 6.738 -4.722 948 HB VAL 641 HB VAL 641 -12.337 9.608 -5.369 949 HG11 VAL 641 1HG1 VAL 641 -12.634 9.201 -2.957 950 HG12 VAL 641 2HG1 VAL 641 -10.977 8.548 -2.873 951 HG13 VAL 641 3HG1 VAL 641 -11.250 10.260 -3.230 952 HG21 VAL 641 3HG2 VAL 641 -9.549 8.467 -4.849 953 HG22 VAL 641 1HG2 VAL 641 -10.188 8.899 -6.434 954 HG23 VAL 641 2HG2 VAL 641 -9.937 10.158 -5.232 955 H THR 642 H THR 642 -14.330 8.692 -5.829 956 HA THR 642 HA THR 642 -16.028 8.296 -3.701 957 HB THR 642 HB THR 642 -16.588 8.688 -6.655 958 HG1 THR 642 1HG THR 642 -16.199 10.888 -4.994 959 HG21 THR 642 3HG2 THR 642 -18.097 9.667 -4.183 960 HG22 THR 642 1HG2 THR 642 -18.474 10.118 -5.867 961 HG23 THR 642 2HG2 THR 642 -18.658 8.445 -5.337 962 H THR 643 H THR 643 -15.641 6.294 -6.714 963 HA THR 643 HA THR 643 -17.833 4.591 -6.295 964 HB THR 643 HB THR 643 -15.201 3.707 -7.532 965 HG1 THR 643 1HG THR 643 -16.969 5.677 -8.531 966 HG21 THR 643 3HG2 THR 643 -17.077 2.113 -7.564 967 HG22 THR 643 1HG2 THR 643 -18.102 3.314 -8.365 968 HG23 THR 643 2HG2 THR 643 -16.672 2.660 -9.201 969 H TYR 644 H TYR 644 -14.385 4.235 -5.299 970 HA TYR 644 HA TYR 644 -14.675 1.695 -4.069 971 HD1 TYR 644 2HD TYR 644 -12.376 3.825 -1.365 972 HD2 TYR 644 1HD TYR 644 -11.915 0.360 -3.832 973 HE1 TYR 644 2HE TYR 644 -11.078 2.746 0.455 974 HE2 TYR 644 1HE TYR 644 -10.597 -0.768 -2.028 975 HH TYR 644 HH TYR 644 -10.156 0.763 1.199 976 HB2 TYR 644 1HB TYR 644 -12.538 2.556 -4.788 977 HB3 TYR 644 2HB TYR 644 -12.682 3.964 -3.764 978 H ASN 645 H ASN 645 -14.941 5.077 -2.786 979 HA ASN 645 HA ASN 645 -15.204 4.421 -0.040 980 HB2 ASN 645 1HB ASN 645 -16.471 6.719 -1.594 981 HB3 ASN 645 2HB ASN 645 -16.410 6.563 0.159 982 HD21 ASN 645 1HD2 ASN 645 -15.181 8.685 -1.641 983 HD22 ASN 645 2HD2 ASN 645 -13.485 8.528 -1.291 984 H GLY 646 H GLY 646 -17.583 4.945 -2.562 985 HA2 GLY 646 1HA GLY 646 -20.068 4.314 -1.491 986 HA3 GLY 646 2HA GLY 646 -19.539 3.746 -3.071 987 H TYR 647 H TYR 647 -17.750 1.835 -2.720 988 HA TYR 647 HA TYR 647 -19.218 -0.393 -1.754 989 HD1 TYR 647 2HD TYR 647 -19.540 -1.043 -3.816 990 HD2 TYR 647 1HD TYR 647 -15.331 -0.288 -4.391 991 HE1 TYR 647 2HE TYR 647 -19.890 -1.028 -6.220 992 HE2 TYR 647 1HE TYR 647 -15.662 -0.163 -6.801 993 HH TYR 647 HH TYR 647 -17.262 -0.529 -8.619 994 HB2 TYR 647 1HB TYR 647 -16.246 -0.132 -2.245 995 HB3 TYR 647 2HB TYR 647 -17.131 -1.654 -2.102 996 H LEU 648 H LEU 648 -16.333 1.338 -0.110 997 HA LEU 648 HA LEU 648 -16.230 -0.308 2.088 998 HG LEU 648 HG LEU 648 -13.491 2.049 2.095 999 HB2 LEU 648 1HB LEU 648 -15.587 2.525 1.364 1000 HB3 LEU 648 2HB LEU 648 -15.759 2.217 3.067 1001 HD11 LEU 648 1HD1 LEU 648 -14.439 -0.572 3.387 1002 HD12 LEU 648 2HD1 LEU 648 -12.828 0.125 3.503 1003 HD13 LEU 648 3HD1 LEU 648 -14.204 0.920 4.300 1004 HD21 LEU 648 3HD2 LEU 648 -12.691 0.036 1.050 1005 HD22 LEU 648 1HD2 LEU 648 -14.321 -0.620 1.011 1006 HD23 LEU 648 2HD2 LEU 648 -13.913 0.823 0.034 1007 H THR 649 H THR 649 -18.335 2.592 1.619 1008 HA THR 649 HA THR 649 -19.544 2.396 4.187 1009 HB THR 649 HB THR 649 -21.396 3.759 3.032 1010 HG1 THR 649 1HG THR 649 -20.435 3.049 0.772 1011 HG21 THR 649 3HG2 THR 649 -19.536 4.739 4.316 1012 HG22 THR 649 1HG2 THR 649 -18.486 4.673 2.870 1013 HG23 THR 649 2HG2 THR 649 -19.918 5.723 2.890 1014 H SER 650 H SER 650 -20.779 1.258 1.006 1015 HA SER 650 HA SER 650 -22.750 0.321 0.562 1016 HG SER 650 HG SER 650 -20.329 -1.216 0.466 1017 HB2 SER 650 1HB SER 650 -21.496 -1.785 2.359 1018 HB3 SER 650 2HB SER 650 -22.898 -2.064 1.326 1019 H SER 651 H SER 651 -23.838 1.996 1.606 1020 HA SER 651 HA SER 651 -25.820 2.633 2.550 1021 HG SER 651 HG SER 651 -27.828 0.844 4.536 1022 HB2 SER 651 1HB SER 651 -26.010 0.193 3.660 1023 HB3 SER 651 2HB SER 651 -25.499 1.085 5.101 Start of MODEL 7 1 H1 GLY -4 H GLY -4 -3.812 17.563 8.255 2 HA2 GLY -4 1HA GLY -4 -2.014 15.975 8.927 3 HA3 GLY -4 2HA GLY -4 -2.903 16.686 10.287 4 H SER -3 H SER -3 -1.722 13.807 9.162 5 HA SER -3 HA SER -3 -1.924 11.700 9.933 6 HG SER -3 HG SER -3 -0.913 12.821 12.536 7 HB2 SER -3 1HB SER -3 -3.647 12.766 12.182 8 HB3 SER -3 2HB SER -3 -2.483 11.429 12.222 9 H HIS -2 H HIS -2 -4.221 10.492 11.382 10 HA HIS -2 HA HIS -2 -5.777 9.037 10.772 11 HD1 HIS -2 1HD HIS -2 -9.675 10.448 9.091 12 HD2 HIS -2 2HD HIS -2 -7.705 8.523 12.308 13 HE1 HIS -2 1HE HIS -2 -11.314 8.706 10.024 14 HE2 HIS -2 2HE HIS -2 -10.168 7.577 11.979 15 HB2 HIS -2 1HB HIS -2 -6.976 11.257 11.237 16 HB3 HIS -2 2HB HIS -2 -7.257 11.312 9.507 17 H MET -1 H MET -1 -7.559 9.404 8.225 18 HA MET -1 HA MET -1 -5.728 8.808 6.117 19 HB2 MET -1 1HB MET -1 -6.719 6.486 5.778 20 HB3 MET -1 2HB MET -1 -5.548 6.659 7.067 21 HG2 MET -1 1HG MET -1 -7.410 5.242 7.754 22 HG3 MET -1 2HG MET -1 -7.283 6.693 8.740 23 HE1 MET -1 3HE MET -1 -10.641 5.660 5.740 24 HE2 MET -1 1HE MET -1 -8.942 5.817 5.247 25 HE3 MET -1 2HE MET -1 -9.426 4.521 6.363 26 H GLY 527 H GLY 527 -7.208 7.824 4.209 27 HA2 GLY 527 1HA GLY 527 -9.772 7.697 3.959 28 HA3 GLY 527 2HA GLY 527 -9.580 9.464 3.789 29 H THR 528 H THR 528 -10.318 7.337 1.732 30 HA THR 528 HA THR 528 -8.150 6.659 0.181 31 HB THR 528 HB THR 528 -11.042 7.067 -0.735 32 HG1 THR 528 1HG THR 528 -11.595 5.514 0.424 33 HG21 THR 528 3HG2 THR 528 -9.404 6.378 -2.546 34 HG22 THR 528 1HG2 THR 528 -9.026 4.937 -1.584 35 HG23 THR 528 2HG2 THR 528 -10.663 5.187 -2.208 36 H VAL 529 H VAL 529 -7.279 7.538 -1.816 37 HA VAL 529 HA VAL 529 -8.021 10.284 -2.651 38 HB VAL 529 HB VAL 529 -5.618 10.947 -2.550 39 HG11 VAL 529 1HG1 VAL 529 -7.170 11.658 -0.779 40 HG12 VAL 529 2HG1 VAL 529 -6.700 10.239 0.187 41 HG13 VAL 529 3HG1 VAL 529 -5.500 11.477 -0.212 42 HG21 VAL 529 3HG2 VAL 529 -4.084 9.687 -1.012 43 HG22 VAL 529 1HG2 VAL 529 -5.244 8.355 -0.984 44 HG23 VAL 529 2HG2 VAL 529 -4.461 8.825 -2.506 45 H SER 530 H SER 530 -6.475 10.888 -4.608 46 HA SER 530 HA SER 530 -6.074 8.523 -6.354 47 HG SER 530 HG SER 530 -6.381 12.098 -7.590 48 HB2 SER 530 1HB SER 530 -6.625 10.067 -8.208 49 HB3 SER 530 2HB SER 530 -7.944 9.847 -7.054 50 H TRP 531 H TRP 531 -4.067 9.512 -4.476 51 HA TRP 531 HA TRP 531 -2.406 11.510 -5.662 52 HD1 TRP 531 HD TRP 531 -3.605 12.640 -4.032 53 HE1 TRP 531 1HE TRP 531 -4.189 13.633 -1.750 54 HE3 TRP 531 3HE TRP 531 -0.553 9.763 -1.134 55 HZ2 TRP 531 2HZ TRP 531 -3.542 13.096 1.041 56 HZ3 TRP 531 3HZ TRP 531 -0.540 10.032 1.319 57 HH2 TRP 531 HH TRP 531 -2.109 11.651 2.418 58 HB2 TRP 531 1HB TRP 531 -1.750 9.389 -3.607 59 HB3 TRP 531 2HB TRP 531 -0.688 10.654 -4.059 60 H ASN 532 H ASN 532 -0.486 11.307 -6.826 61 HA ASN 532 HA ASN 532 -0.363 8.883 -8.509 62 HB2 ASN 532 1HB ASN 532 1.184 10.020 -9.888 63 HB3 ASN 532 2HB ASN 532 -0.054 11.221 -9.507 64 HD21 ASN 532 1HD2 ASN 532 3.006 11.552 -10.244 65 HD22 ASN 532 2HD2 ASN 532 3.459 12.612 -8.940 66 H LEU 533 H LEU 533 1.894 7.962 -8.724 67 HA LEU 533 HA LEU 533 2.653 6.916 -6.269 68 HG LEU 533 HG LEU 533 4.823 4.683 -8.251 69 HB2 LEU 533 1HB LEU 533 3.039 6.054 -8.621 70 HB3 LEU 533 2HB LEU 533 4.418 7.132 -8.751 71 HD11 LEU 533 1HD1 LEU 533 6.713 5.013 -6.841 72 HD12 LEU 533 2HD1 LEU 533 6.556 6.477 -7.850 73 HD13 LEU 533 3HD1 LEU 533 6.037 6.491 -6.168 74 HD21 LEU 533 3HD2 LEU 533 4.568 3.796 -6.063 75 HD22 LEU 533 1HD2 LEU 533 3.994 5.339 -5.405 76 HD23 LEU 533 2HD2 LEU 533 2.995 4.434 -6.578 77 H ARG 534 H ARG 534 3.857 9.878 -7.820 78 HA ARG 534 HA ARG 534 6.128 10.155 -6.058 79 HE ARG 534 HE ARG 534 8.394 11.552 -7.814 80 HB2 ARG 534 1HB ARG 534 4.830 12.429 -7.621 81 HB3 ARG 534 2HB ARG 534 6.457 12.301 -6.984 82 HG2 ARG 534 1HG ARG 534 6.489 10.083 -8.467 83 HG3 ARG 534 2HG ARG 534 5.258 10.901 -9.383 84 HD2 ARG 534 1HD ARG 534 7.420 11.305 -10.409 85 HD3 ARG 534 2HD ARG 534 6.767 12.830 -9.772 86 HH11 ARG 534 2HH2 ARG 534 8.873 13.065 -10.984 87 HH12 ARG 534 1HH2 ARG 534 10.370 13.828 -10.567 88 HH21 ARG 534 2HH1 ARG 534 10.293 12.661 -7.200 89 HH22 ARG 534 1HH1 ARG 534 11.275 13.497 -8.365 90 H GLU 535 H GLU 535 2.774 11.492 -6.014 91 HA GLU 535 HA GLU 535 3.091 13.227 -3.837 92 HB2 GLU 535 1HB GLU 535 0.817 11.752 -5.130 93 HB3 GLU 535 2HB GLU 535 0.590 12.453 -3.544 94 HG2 GLU 535 1HG GLU 535 1.205 14.659 -4.345 95 HG3 GLU 535 2HG GLU 535 1.430 14.051 -5.976 96 H MET 536 H MET 536 2.168 9.807 -4.116 97 HA MET 536 HA MET 536 1.767 9.202 -1.392 98 HB2 MET 536 1HB MET 536 2.619 7.519 -3.786 99 HB3 MET 536 2HB MET 536 2.327 6.833 -2.196 100 HG2 MET 536 1HG MET 536 0.011 7.814 -2.232 101 HG3 MET 536 2HG MET 536 0.371 8.551 -3.795 102 HE1 MET 536 3HE MET 536 0.767 4.984 -2.162 103 HE2 MET 536 1HE MET 536 -0.926 5.488 -1.922 104 HE3 MET 536 2HE MET 536 -0.543 4.149 -3.025 105 H LEU 537 H LEU 537 4.749 8.657 -3.362 106 HA LEU 537 HA LEU 537 6.242 7.681 -1.136 107 HG LEU 537 HG LEU 537 6.239 6.429 -3.840 108 HB2 LEU 537 1HB LEU 537 6.916 8.765 -3.861 109 HB3 LEU 537 2HB LEU 537 8.237 8.442 -2.720 110 HD11 LEU 537 1HD1 LEU 537 8.226 5.485 -4.931 111 HD12 LEU 537 2HD1 LEU 537 8.047 7.199 -5.368 112 HD13 LEU 537 3HD1 LEU 537 9.257 6.726 -4.176 113 HD21 LEU 537 3HD2 LEU 537 7.661 4.685 -2.721 114 HD22 LEU 537 1HD2 LEU 537 8.446 5.975 -1.788 115 HD23 LEU 537 2HD2 LEU 537 6.726 5.667 -1.600 116 H ALA 538 H ALA 538 5.997 11.033 -2.489 117 HA ALA 538 HA ALA 538 7.933 12.188 -0.744 118 HB1 ALA 538 1HB ALA 538 5.405 13.418 -1.949 119 HB2 ALA 538 2HB ALA 538 6.755 14.311 -1.220 120 HB3 ALA 538 3HB ALA 538 7.013 13.367 -2.706 121 H HIS 539 H HIS 539 4.445 11.729 -0.396 122 HA HIS 539 HA HIS 539 4.090 12.928 2.158 123 HD1 HIS 539 1HD HIS 539 1.340 14.104 2.149 124 HD2 HIS 539 2HD HIS 539 1.120 10.029 3.361 125 HE1 HIS 539 1HE HIS 539 -0.453 13.967 3.926 126 HE2 HIS 539 2HE HIS 539 -0.568 11.518 4.743 127 HB2 HIS 539 1HB HIS 539 2.323 12.021 0.460 128 HB3 HIS 539 2HB HIS 539 2.532 10.481 1.219 129 H ALA 540 H ALA 540 4.633 9.585 1.247 130 HA ALA 540 HA ALA 540 4.770 8.481 3.875 131 HB1 ALA 540 1HB ALA 540 5.813 6.522 2.839 132 HB2 ALA 540 2HB ALA 540 4.549 7.119 1.753 133 HB3 ALA 540 3HB ALA 540 6.254 7.458 1.399 134 H GLU 541 H GLU 541 7.534 9.933 1.927 135 HA GLU 541 HA GLU 541 9.435 9.445 3.900 136 HB2 GLU 541 1HB GLU 541 9.252 10.759 1.337 137 HB3 GLU 541 2HB GLU 541 9.684 12.031 2.456 138 HG2 GLU 541 1HG GLU 541 11.286 10.259 3.487 139 HG3 GLU 541 2HG GLU 541 11.181 9.442 1.956 140 H GLU 542 H GLU 542 7.427 12.311 3.200 141 HA GLU 542 HA GLU 542 8.463 13.923 5.138 142 HB2 GLU 542 1HB GLU 542 7.011 14.431 3.149 143 HB3 GLU 542 2HB GLU 542 5.595 13.949 4.076 144 HG2 GLU 542 1HG GLU 542 5.530 15.932 5.177 145 HG3 GLU 542 2HG GLU 542 7.251 15.901 5.547 146 H THR 543 H THR 543 5.479 12.021 5.373 147 HA THR 543 HA THR 543 5.091 12.662 8.205 148 HB THR 543 HB THR 543 3.180 11.094 7.998 149 HG1 THR 543 1HG THR 543 4.030 10.866 5.294 150 HG21 THR 543 3HG2 THR 543 3.265 13.155 5.750 151 HG22 THR 543 1HG2 THR 543 1.816 12.445 6.489 152 HG23 THR 543 2HG2 THR 543 2.882 13.494 7.449 153 H ARG 544 H ARG 544 7.023 10.373 6.544 154 HA ARG 544 HA ARG 544 7.989 8.435 6.980 155 HE ARG 544 HE ARG 544 10.950 11.286 10.168 156 HB2 ARG 544 1HB ARG 544 8.007 9.433 9.838 157 HB3 ARG 544 2HB ARG 544 8.704 7.905 9.329 158 HG2 ARG 544 1HG ARG 544 10.541 9.316 9.335 159 HG3 ARG 544 2HG ARG 544 10.112 9.147 7.648 160 HD2 ARG 544 1HD ARG 544 10.324 11.353 7.555 161 HD3 ARG 544 2HD ARG 544 8.727 11.442 8.296 162 HH11 ARG 544 2HH2 ARG 544 8.997 13.488 8.180 163 HH12 ARG 544 1HH2 ARG 544 9.831 14.918 8.678 164 HH21 ARG 544 2HH1 ARG 544 11.909 13.270 11.008 165 HH22 ARG 544 1HH1 ARG 544 11.415 14.796 10.350 166 H LYS 545 H LYS 545 5.823 7.825 6.160 167 HA LYS 545 HA LYS 545 4.361 6.170 8.167 168 HB2 LYS 545 1HB LYS 545 3.253 7.786 5.853 169 HB3 LYS 545 2HB LYS 545 2.393 6.356 6.470 170 HG2 LYS 545 1HG LYS 545 2.449 7.187 8.730 171 HG3 LYS 545 2HG LYS 545 3.399 8.603 8.241 172 HD2 LYS 545 1HD LYS 545 1.482 9.535 7.078 173 HD3 LYS 545 2HD LYS 545 0.576 8.039 7.290 174 HE2 LYS 545 1HE LYS 545 0.096 10.015 8.925 175 HE3 LYS 545 2HE LYS 545 0.228 8.380 9.561 176 HZ1 LYS 545 3HZ LYS 545 1.408 9.841 10.948 177 HZ2 LYS 545 1HZ LYS 545 2.514 8.867 10.240 178 HZ3 LYS 545 2HZ LYS 545 2.353 10.429 9.764 179 H LEU 546 H LEU 546 3.556 4.198 7.580 180 HA LEU 546 HA LEU 546 5.652 2.847 6.176 181 HG LEU 546 HG LEU 546 6.117 0.686 7.083 182 HB2 LEU 546 1HB LEU 546 4.580 2.240 8.381 183 HB3 LEU 546 2HB LEU 546 3.224 1.606 7.504 184 HD11 LEU 546 1HD1 LEU 546 5.528 0.451 9.426 185 HD12 LEU 546 2HD1 LEU 546 4.024 -0.410 9.001 186 HD13 LEU 546 3HD1 LEU 546 5.603 -1.139 8.656 187 HD21 LEU 546 3HD2 LEU 546 5.009 -0.306 5.333 188 HD22 LEU 546 1HD2 LEU 546 4.603 -1.482 6.591 189 HD23 LEU 546 2HD2 LEU 546 3.428 -0.239 6.163 190 H MET 547 H MET 547 5.544 1.838 4.218 191 HA MET 547 HA MET 547 2.991 2.057 2.667 192 HB2 MET 547 1HB MET 547 4.507 3.891 2.312 193 HB3 MET 547 2HB MET 547 5.816 2.821 1.875 194 HG2 MET 547 1HG MET 547 4.804 2.213 -0.173 195 HG3 MET 547 2HG MET 547 3.200 2.746 0.347 196 HE1 MET 547 3HE MET 547 3.112 3.898 -2.155 197 HE2 MET 547 1HE MET 547 4.301 5.110 -2.694 198 HE3 MET 547 2HE MET 547 4.808 3.424 -2.432 199 HA PRO 548 HA PRO 548 4.406 -2.243 2.202 200 HB2 PRO 548 1HB PRO 548 1.921 -3.393 1.636 201 HB3 PRO 548 2HB PRO 548 2.569 -3.115 3.279 202 HG2 PRO 548 1HG PRO 548 0.727 -1.388 1.629 203 HG3 PRO 548 2HG PRO 548 0.524 -1.870 3.345 204 HD2 PRO 548 1HD PRO 548 1.522 0.555 2.721 205 HD3 PRO 548 2HD PRO 548 2.253 -0.386 4.042 206 H ILE 549 H ILE 549 4.868 -3.519 0.334 207 HA ILE 549 HA ILE 549 3.908 -2.474 -2.277 208 HB ILE 549 HB ILE 549 6.791 -3.207 -1.752 209 HG12 ILE 549 1HG1 ILE 549 7.024 -0.586 -2.206 210 HG13 ILE 549 2HG1 ILE 549 5.453 -0.527 -1.405 211 HG21 ILE 549 1HG2 ILE 549 7.206 -2.175 -3.897 212 HG22 ILE 549 2HG2 ILE 549 6.025 -3.450 -4.093 213 HG23 ILE 549 3HG2 ILE 549 5.487 -1.749 -4.067 214 HD11 ILE 549 3HD1 ILE 549 6.427 -1.820 0.496 215 HD12 ILE 549 1HD1 ILE 549 7.981 -1.857 -0.338 216 HD13 ILE 549 2HD1 ILE 549 7.288 -0.313 0.150 217 H CYS 550 H CYS 550 3.429 -4.126 -3.767 218 HA CYS 550 HA CYS 550 3.747 -6.916 -2.902 219 HG CYS 550 HG CYS 550 2.137 -8.431 -3.489 220 HB2 CYS 550 1HB CYS 550 1.712 -5.907 -4.199 221 HB3 CYS 550 2HB CYS 550 2.757 -5.972 -5.627 222 H MET 551 H MET 551 5.568 -8.078 -3.384 223 HA MET 551 HA MET 551 7.698 -7.191 -5.079 224 HB2 MET 551 1HB MET 551 6.958 -9.980 -4.072 225 HB3 MET 551 2HB MET 551 8.461 -9.566 -4.915 226 HG2 MET 551 1HG MET 551 8.579 -7.703 -3.049 227 HG3 MET 551 2HG MET 551 7.593 -8.856 -2.144 228 HE1 MET 551 3HE MET 551 10.323 -7.977 -1.006 229 HE2 MET 551 1HE MET 551 9.338 -9.250 -0.272 230 HE3 MET 551 2HE MET 551 11.078 -9.523 -0.549 231 H ASP 552 H ASP 552 4.754 -8.740 -5.781 232 HA ASP 552 HA ASP 552 5.382 -10.277 -8.052 233 HB2 ASP 552 1HB ASP 552 3.170 -10.187 -6.856 234 HB3 ASP 552 2HB ASP 552 2.795 -8.703 -7.729 235 H VAL 553 H VAL 553 4.938 -6.755 -7.788 236 HA VAL 553 HA VAL 553 4.881 -6.508 -10.738 237 HB VAL 553 HB VAL 553 4.367 -4.373 -8.658 238 HG11 VAL 553 1HG1 VAL 553 5.007 -3.527 -10.912 239 HG12 VAL 553 2HG1 VAL 553 3.786 -4.575 -11.662 240 HG13 VAL 553 3HG1 VAL 553 3.297 -3.236 -10.602 241 HG21 VAL 553 3HG2 VAL 553 2.671 -6.110 -8.404 242 HG22 VAL 553 1HG2 VAL 553 1.951 -4.759 -9.285 243 HG23 VAL 553 2HG2 VAL 553 2.469 -6.220 -10.162 244 H ARG 554 H ARG 554 6.911 -6.995 -11.267 245 HA ARG 554 HA ARG 554 9.255 -5.956 -10.098 246 HE ARG 554 HE ARG 554 8.030 -6.004 -15.671 247 HB2 ARG 554 1HB ARG 554 10.517 -6.454 -12.008 248 HB3 ARG 554 2HB ARG 554 9.390 -7.756 -11.609 249 HG2 ARG 554 1HG ARG 554 8.974 -7.703 -13.755 250 HG3 ARG 554 2HG ARG 554 7.863 -6.400 -13.378 251 HD2 ARG 554 1HD ARG 554 10.033 -4.895 -13.813 252 HD3 ARG 554 2HD ARG 554 10.515 -6.290 -14.781 253 HH11 ARG 554 2HH2 ARG 554 10.557 -3.543 -15.472 254 HH12 ARG 554 1HH2 ARG 554 9.524 -2.229 -15.995 255 HH21 ARG 554 2HH1 ARG 554 6.828 -4.397 -16.782 256 HH22 ARG 554 1HH1 ARG 554 7.519 -2.795 -16.974 257 H ALA 555 H ALA 555 7.028 -4.366 -12.323 258 HA ALA 555 HA ALA 555 8.772 -2.260 -13.099 259 HB1 ALA 555 1HB ALA 555 6.605 -2.742 -14.247 260 HB2 ALA 555 2HB ALA 555 5.720 -2.189 -12.811 261 HB3 ALA 555 3HB ALA 555 6.716 -1.050 -13.734 262 H ILE 556 H ILE 556 6.584 -2.619 -10.291 263 HA ILE 556 HA ILE 556 7.043 0.062 -9.260 264 HB ILE 556 HB ILE 556 5.802 -2.456 -8.070 265 HG12 ILE 556 1HG1 ILE 556 4.554 0.213 -8.878 266 HG13 ILE 556 2HG1 ILE 556 4.570 -1.199 -9.927 267 HG21 ILE 556 1HG2 ILE 556 6.066 0.332 -6.845 268 HG22 ILE 556 2HG2 ILE 556 5.036 -0.963 -6.207 269 HG23 ILE 556 3HG2 ILE 556 6.775 -1.180 -6.236 270 HD11 ILE 556 3HD1 ILE 556 3.109 -0.969 -7.267 271 HD12 ILE 556 1HD1 ILE 556 2.414 -1.060 -8.887 272 HD13 ILE 556 2HD1 ILE 556 3.248 -2.464 -8.199 273 H MET 557 H MET 557 8.304 -3.259 -8.612 274 HA MET 557 HA MET 557 10.133 -2.597 -6.613 275 HB2 MET 557 1HB MET 557 10.452 -4.624 -8.867 276 HB3 MET 557 2HB MET 557 11.458 -4.579 -7.441 277 HG2 MET 557 1HG MET 557 8.506 -4.758 -6.938 278 HG3 MET 557 2HG MET 557 9.268 -6.144 -7.701 279 HE1 MET 557 3HE MET 557 9.363 -3.750 -4.594 280 HE2 MET 557 1HE MET 557 10.534 -4.580 -3.546 281 HE3 MET 557 2HE MET 557 11.105 -3.773 -5.011 282 H ALA 558 H ALA 558 10.595 -2.364 -10.154 283 HA ALA 558 HA ALA 558 13.270 -1.464 -10.095 284 HB1 ALA 558 1HB ALA 558 11.956 -2.309 -12.077 285 HB2 ALA 558 2HB ALA 558 11.116 -0.752 -12.141 286 HB3 ALA 558 3HB ALA 558 12.877 -0.811 -12.373 287 H THR 559 H THR 559 10.199 0.409 -10.257 288 HA THR 559 HA THR 559 11.215 3.032 -10.294 289 HB THR 559 HB THR 559 8.713 1.644 -9.298 290 HG1 THR 559 1HG THR 559 7.844 2.799 -11.021 291 HG21 THR 559 3HG2 THR 559 8.832 3.515 -7.771 292 HG22 THR 559 1HG2 THR 559 9.097 4.644 -9.141 293 HG23 THR 559 2HG2 THR 559 7.564 3.753 -8.956 294 H ILE 560 H ILE 560 10.667 0.880 -7.458 295 HA ILE 560 HA ILE 560 11.624 2.839 -5.592 296 HB ILE 560 HB ILE 560 11.192 -0.178 -5.493 297 HG12 ILE 560 1HG1 ILE 560 9.503 2.018 -4.234 298 HG13 ILE 560 2HG1 ILE 560 9.207 1.515 -5.876 299 HG21 ILE 560 1HG2 ILE 560 11.357 -0.131 -3.127 300 HG22 ILE 560 2HG2 ILE 560 12.827 0.604 -3.705 301 HG23 ILE 560 3HG2 ILE 560 11.537 1.635 -3.044 302 HD11 ILE 560 3HD1 ILE 560 8.852 -0.801 -5.194 303 HD12 ILE 560 1HD1 ILE 560 9.024 -0.324 -3.494 304 HD13 ILE 560 2HD1 ILE 560 7.699 0.342 -4.477 305 H GLN 561 H GLN 561 13.200 -0.218 -6.894 306 HA GLN 561 HA GLN 561 15.630 0.363 -5.545 307 HB2 GLN 561 1HB GLN 561 14.973 -1.513 -7.848 308 HB3 GLN 561 2HB GLN 561 16.567 -1.428 -7.074 309 HG2 GLN 561 1HG GLN 561 15.467 -1.793 -4.851 310 HG3 GLN 561 2HG GLN 561 13.946 -2.116 -5.671 311 HE21 GLN 561 1HE2 GLN 561 13.894 -4.071 -7.214 312 HE22 GLN 561 2HE2 GLN 561 14.985 -5.385 -6.754 313 H ARG 562 H ARG 562 14.454 1.941 -8.258 314 HA ARG 562 HA ARG 562 17.043 3.064 -9.124 315 HE ARG 562 HE ARG 562 16.091 4.622 -13.075 316 HB2 ARG 562 1HB ARG 562 14.146 3.988 -9.330 317 HB3 ARG 562 2HB ARG 562 15.504 4.989 -9.837 318 HG2 ARG 562 1HG ARG 562 16.206 3.227 -11.451 319 HG3 ARG 562 2HG ARG 562 14.812 2.263 -10.983 320 HD2 ARG 562 1HD ARG 562 13.652 3.362 -12.560 321 HD3 ARG 562 2HD ARG 562 13.681 4.763 -11.497 322 HH11 ARG 562 2HH2 ARG 562 12.684 5.578 -13.197 323 HH12 ARG 562 1HH2 ARG 562 12.782 6.330 -14.752 324 HH21 ARG 562 2HH1 ARG 562 16.324 5.858 -14.974 325 HH22 ARG 562 1HH1 ARG 562 14.965 6.726 -15.644 326 H LYS 563 H LYS 563 14.370 4.407 -7.149 327 HA LYS 563 HA LYS 563 16.098 6.571 -6.284 328 HB2 LYS 563 1HB LYS 563 13.512 6.477 -6.842 329 HB3 LYS 563 2HB LYS 563 13.327 6.002 -5.185 330 HG2 LYS 563 1HG LYS 563 15.008 8.433 -5.830 331 HG3 LYS 563 2HG LYS 563 13.275 8.562 -5.961 332 HD2 LYS 563 1HD LYS 563 13.687 7.388 -3.411 333 HD3 LYS 563 2HD LYS 563 14.994 8.545 -3.588 334 HE2 LYS 563 1HE LYS 563 13.154 9.628 -2.511 335 HE3 LYS 563 2HE LYS 563 13.326 10.339 -4.121 336 HZ1 LYS 563 3HZ LYS 563 11.039 9.875 -3.479 337 HZ2 LYS 563 1HZ LYS 563 11.427 8.975 -4.817 338 HZ3 LYS 563 2HZ LYS 563 11.346 8.308 -3.293 339 H TYR 564 H TYR 564 15.190 3.556 -4.854 340 HA TYR 564 HA TYR 564 16.624 4.245 -2.349 341 HD1 TYR 564 2HD TYR 564 12.916 3.750 -3.944 342 HD2 TYR 564 1HD TYR 564 14.046 4.881 0.059 343 HE1 TYR 564 2HE TYR 564 11.129 5.448 -3.943 344 HE2 TYR 564 1HE TYR 564 12.194 6.540 0.093 345 HH TYR 564 HH TYR 564 10.420 7.571 -1.188 346 HB2 TYR 564 1HB TYR 564 14.274 2.308 -2.456 347 HB3 TYR 564 2HB TYR 564 15.073 2.962 -1.052 348 H LYS 565 H LYS 565 18.480 3.343 -3.771 349 HA LYS 565 HA LYS 565 18.201 0.494 -4.302 350 HB2 LYS 565 1HB LYS 565 19.050 2.326 -5.942 351 HB3 LYS 565 2HB LYS 565 20.553 2.338 -4.992 352 HG2 LYS 565 1HG LYS 565 20.896 -0.034 -5.422 353 HG3 LYS 565 2HG LYS 565 19.256 -0.150 -6.098 354 HD2 LYS 565 1HD LYS 565 19.990 1.281 -8.004 355 HD3 LYS 565 2HD LYS 565 21.626 1.321 -7.305 356 HE2 LYS 565 1HE LYS 565 21.605 -1.220 -7.324 357 HE3 LYS 565 2HE LYS 565 20.071 -1.147 -8.210 358 HZ1 LYS 565 3HZ LYS 565 21.354 0.217 -9.881 359 HZ2 LYS 565 1HZ LYS 565 22.711 -0.195 -9.096 360 HZ3 LYS 565 2HZ LYS 565 21.808 -1.385 -9.770 361 H GLY 566 H GLY 566 20.018 2.456 -1.907 362 HA2 GLY 566 1HA GLY 566 22.004 0.595 -1.299 363 HA3 GLY 566 2HA GLY 566 21.213 1.664 -0.124 364 H ILE 567 H ILE 567 18.597 0.689 -0.291 365 HA ILE 567 HA ILE 567 18.671 -1.498 1.480 366 HB ILE 567 HB ILE 567 17.059 0.132 1.575 367 HG12 ILE 567 1HG1 ILE 567 16.458 -2.323 2.127 368 HG13 ILE 567 2HG1 ILE 567 15.329 -1.003 2.251 369 HG21 ILE 567 1HG2 ILE 567 15.161 0.447 -0.042 370 HG22 ILE 567 2HG2 ILE 567 16.737 0.952 -0.679 371 HG23 ILE 567 3HG2 ILE 567 16.016 -0.574 -1.194 372 HD11 ILE 567 3HD1 ILE 567 14.463 -3.126 1.070 373 HD12 ILE 567 1HD1 ILE 567 14.176 -1.544 0.304 374 HD13 ILE 567 2HD1 ILE 567 15.449 -2.583 -0.325 375 H LYS 568 H LYS 568 17.545 -3.497 1.268 376 HA LYS 568 HA LYS 568 18.101 -4.885 -1.274 377 HB2 LYS 568 1HB LYS 568 19.050 -6.737 0.188 378 HB3 LYS 568 2HB LYS 568 20.026 -5.315 -0.129 379 HG2 LYS 568 1HG LYS 568 18.433 -5.319 2.414 380 HG3 LYS 568 2HG LYS 568 19.842 -6.371 2.308 381 HD2 LYS 568 1HD LYS 568 21.337 -4.540 1.879 382 HD3 LYS 568 2HD LYS 568 20.027 -3.406 1.630 383 HE2 LYS 568 1HE LYS 568 19.890 -2.926 3.791 384 HE3 LYS 568 2HE LYS 568 19.579 -4.624 4.163 385 HZ1 LYS 568 3HZ LYS 568 22.229 -3.322 4.029 386 HZ2 LYS 568 1HZ LYS 568 21.464 -3.947 5.343 387 HZ3 LYS 568 2HZ LYS 568 22.007 -4.961 4.164 388 H ILE 569 H ILE 569 15.898 -4.880 -1.652 389 HA ILE 569 HA ILE 569 13.613 -5.101 -0.254 390 HB ILE 569 HB ILE 569 14.320 -6.753 -2.728 391 HG12 ILE 569 1HG1 ILE 569 15.013 -4.550 -3.250 392 HG13 ILE 569 2HG1 ILE 569 13.516 -4.895 -4.079 393 HG21 ILE 569 1HG2 ILE 569 11.973 -6.505 -3.384 394 HG22 ILE 569 2HG2 ILE 569 12.185 -7.421 -1.914 395 HG23 ILE 569 3HG2 ILE 569 11.616 -5.735 -1.820 396 HD11 ILE 569 3HD1 ILE 569 13.590 -3.272 -1.531 397 HD12 ILE 569 1HD1 ILE 569 13.840 -2.554 -3.126 398 HD13 ILE 569 2HD1 ILE 569 12.314 -3.364 -2.779 399 H GLN 570 H GLN 570 12.636 -6.475 1.121 400 HA GLN 570 HA GLN 570 13.595 -9.245 1.469 401 HB2 GLN 570 1HB GLN 570 13.921 -8.954 3.837 402 HB3 GLN 570 2HB GLN 570 14.965 -7.856 2.972 403 HG2 GLN 570 1HG GLN 570 12.442 -6.558 3.818 404 HG3 GLN 570 2HG GLN 570 13.360 -7.245 5.136 405 HE21 GLN 570 1HE2 GLN 570 14.949 -5.868 2.224 406 HE22 GLN 570 2HE2 GLN 570 15.525 -4.447 3.042 407 H GLU 571 H GLU 571 11.867 -10.704 2.265 408 HA GLU 571 HA GLU 571 9.239 -9.644 1.794 409 HB2 GLU 571 1HB GLU 571 10.643 -12.285 2.298 410 HB3 GLU 571 2HB GLU 571 8.958 -12.139 2.755 411 HG2 GLU 571 1HG GLU 571 8.380 -11.400 0.439 412 HG3 GLU 571 2HG GLU 571 10.075 -11.660 -0.018 413 H GLY 572 H GLY 572 8.869 -8.090 3.444 414 HA2 GLY 572 1HA GLY 572 7.819 -8.413 5.856 415 HA3 GLY 572 2HA GLY 572 9.513 -8.767 6.227 416 H ILE 573 H ILE 573 9.260 -6.846 7.606 417 HA ILE 573 HA ILE 573 8.947 -4.191 6.546 418 HB ILE 573 HB ILE 573 9.997 -5.501 9.074 419 HG12 ILE 573 1HG1 ILE 573 7.549 -5.457 8.743 420 HG13 ILE 573 2HG1 ILE 573 8.077 -4.642 10.197 421 HG21 ILE 573 1HG2 ILE 573 9.998 -2.514 8.811 422 HG22 ILE 573 2HG2 ILE 573 10.200 -3.454 10.308 423 HG23 ILE 573 3HG2 ILE 573 11.396 -3.582 9.022 424 HD11 ILE 573 3HD1 ILE 573 6.248 -3.457 9.005 425 HD12 ILE 573 1HD1 ILE 573 7.687 -2.452 9.220 426 HD13 ILE 573 2HD1 ILE 573 7.328 -3.172 7.634 427 H VAL 574 H VAL 574 10.292 -2.623 6.161 428 HA VAL 574 HA VAL 574 13.196 -3.060 6.058 429 HB VAL 574 HB VAL 574 13.088 -3.319 3.907 430 HG11 VAL 574 1HG1 VAL 574 11.272 -4.085 3.233 431 HG12 VAL 574 2HG1 VAL 574 10.276 -2.742 3.858 432 HG13 VAL 574 3HG1 VAL 574 11.201 -2.533 2.385 433 HG21 VAL 574 3HG2 VAL 574 13.191 -1.419 2.453 434 HG22 VAL 574 1HG2 VAL 574 12.463 -0.394 3.691 435 HG23 VAL 574 2HG2 VAL 574 14.051 -1.146 3.975 436 H ASP 575 H ASP 575 14.167 -1.262 6.891 437 HA ASP 575 HA ASP 575 12.674 1.338 6.967 438 HB2 ASP 575 1HB ASP 575 12.912 0.985 9.234 439 HB3 ASP 575 2HB ASP 575 14.388 0.036 9.046 440 H TYR 576 H TYR 576 13.397 2.245 5.110 441 HA TYR 576 HA TYR 576 16.130 3.098 5.142 442 HD1 TYR 576 2HD TYR 576 18.706 2.063 4.066 443 HD2 TYR 576 1HD TYR 576 15.733 2.518 1.017 444 HE1 TYR 576 2HE TYR 576 20.393 3.212 2.636 445 HE2 TYR 576 1HE TYR 576 17.408 3.746 -0.423 446 HH TYR 576 HH TYR 576 20.473 4.809 0.728 447 HB2 TYR 576 1HB TYR 576 16.527 0.894 4.115 448 HB3 TYR 576 2HB TYR 576 15.284 1.222 2.913 449 H GLY 577 H GLY 577 15.351 5.177 5.088 450 HA2 GLY 577 1HA GLY 577 14.829 7.145 4.017 451 HA3 GLY 577 2HA GLY 577 14.479 6.262 2.528 452 H VAL 578 H VAL 578 12.536 4.509 3.282 453 HA VAL 578 HA VAL 578 10.369 5.920 4.720 454 HB VAL 578 HB VAL 578 10.262 4.552 1.999 455 HG11 VAL 578 1HG1 VAL 578 7.821 4.911 1.979 456 HG12 VAL 578 2HG1 VAL 578 8.306 3.730 3.188 457 HG13 VAL 578 3HG1 VAL 578 7.875 5.383 3.698 458 HG21 VAL 578 3HG2 VAL 578 10.806 6.947 1.926 459 HG22 VAL 578 1HG2 VAL 578 9.184 6.629 1.273 460 HG23 VAL 578 2HG2 VAL 578 9.374 7.310 2.909 461 H ARG 579 H ARG 579 9.055 4.457 5.799 462 HA ARG 579 HA ARG 579 10.263 1.855 6.473 463 HE ARG 579 HE ARG 579 9.391 0.477 9.374 464 HB2 ARG 579 1HB ARG 579 7.904 3.493 7.464 465 HB3 ARG 579 2HB ARG 579 8.024 1.766 7.836 466 HG2 ARG 579 1HG ARG 579 10.556 2.523 8.539 467 HG3 ARG 579 2HG ARG 579 9.715 4.051 8.769 468 HD2 ARG 579 1HD ARG 579 9.611 2.994 10.863 469 HD3 ARG 579 2HD ARG 579 8.006 2.669 10.176 470 HH11 ARG 579 2HH2 ARG 579 8.711 1.927 12.554 471 HH12 ARG 579 1HH2 ARG 579 9.131 0.494 13.428 472 HH21 ARG 579 2HH1 ARG 579 10.225 -1.360 10.672 473 HH22 ARG 579 1HH1 ARG 579 9.892 -1.338 12.377 474 H PHE 580 H PHE 580 10.034 0.295 4.880 475 HA PHE 580 HA PHE 580 7.474 0.360 3.335 476 HD1 PHE 580 1HD PHE 580 7.388 1.395 1.331 477 HD2 PHE 580 2HD PHE 580 11.670 1.057 1.735 478 HE1 PHE 580 1HE PHE 580 7.659 3.160 -0.318 479 HE2 PHE 580 2HE PHE 580 11.936 2.831 -0.005 480 HZ PHE 580 HZ PHE 580 9.954 3.882 -1.026 481 HB2 PHE 580 1HB PHE 580 10.314 -0.525 2.803 482 HB3 PHE 580 2HB PHE 580 9.000 -1.022 1.775 483 H PHE 581 H PHE 581 6.774 -1.938 2.692 484 HA PHE 581 HA PHE 581 7.581 -4.100 4.490 485 HD1 PHE 581 2HD PHE 581 6.991 -5.278 6.458 486 HD2 PHE 581 1HD PHE 581 3.088 -4.800 4.810 487 HE1 PHE 581 2HE PHE 581 6.281 -7.387 7.583 488 HE2 PHE 581 1HE PHE 581 2.353 -6.959 5.939 489 HZ PHE 581 HZ PHE 581 3.976 -8.212 7.296 490 HB2 PHE 581 1HB PHE 581 5.848 -2.972 5.751 491 HB3 PHE 581 2HB PHE 581 4.710 -3.116 4.423 492 H PHE 582 H PHE 582 8.224 -5.438 2.757 493 HA PHE 582 HA PHE 582 6.605 -5.422 0.298 494 HD1 PHE 582 1HD PHE 582 8.253 -4.727 -1.797 495 HD2 PHE 582 2HD PHE 582 10.743 -5.515 1.628 496 HE1 PHE 582 1HE PHE 582 9.595 -2.664 -2.253 497 HE2 PHE 582 2HE PHE 582 12.243 -3.709 0.951 498 HZ PHE 582 HZ PHE 582 11.594 -2.150 -0.803 499 HB2 PHE 582 1HB PHE 582 8.999 -7.104 0.990 500 HB3 PHE 582 2HB PHE 582 8.245 -6.985 -0.579 501 H TYR 583 H TYR 583 5.551 -7.313 -0.543 502 HA TYR 583 HA TYR 583 5.304 -9.722 1.117 503 HD1 TYR 583 1HD TYR 583 3.397 -5.886 0.942 504 HD2 TYR 583 2HD TYR 583 1.565 -9.350 -0.784 505 HE1 TYR 583 1HE TYR 583 1.975 -4.443 -0.448 506 HE2 TYR 583 2HE TYR 583 0.283 -7.988 -2.355 507 HH TYR 583 HH TYR 583 0.601 -4.319 -2.240 508 HB2 TYR 583 1HB TYR 583 2.882 -9.572 1.188 509 HB3 TYR 583 2HB TYR 583 3.572 -8.175 2.001 510 H THR 584 H THR 584 3.736 -11.331 -0.124 511 HA THR 584 HA THR 584 4.473 -11.198 -2.995 512 HB THR 584 HB THR 584 4.185 -13.576 -3.041 513 HG1 THR 584 1HG THR 584 3.433 -13.413 -0.314 514 HG21 THR 584 3HG2 THR 584 6.389 -12.746 -2.226 515 HG22 THR 584 1HG2 THR 584 5.818 -12.901 -0.550 516 HG23 THR 584 2HG2 THR 584 5.951 -14.334 -1.573 517 H SER 585 H SER 585 2.851 -11.708 -4.571 518 HA SER 585 HA SER 585 0.216 -10.701 -3.988 519 HG SER 585 HG SER 585 1.952 -12.173 -7.383 520 HB2 SER 585 1HB SER 585 -0.167 -11.738 -6.343 521 HB3 SER 585 2HB SER 585 1.066 -10.494 -6.219 522 H LYS 586 H LYS 586 1.770 -13.845 -3.636 523 HA LYS 586 HA LYS 586 -0.470 -15.512 -4.238 524 HB2 LYS 586 1HB LYS 586 2.141 -16.065 -2.789 525 HB3 LYS 586 2HB LYS 586 0.932 -17.291 -3.195 526 HG2 LYS 586 1HG LYS 586 1.111 -16.636 -5.616 527 HG3 LYS 586 2HG LYS 586 2.461 -15.556 -5.182 528 HD2 LYS 586 1HD LYS 586 3.609 -17.529 -4.149 529 HD3 LYS 586 2HD LYS 586 2.315 -18.568 -4.758 530 HE2 LYS 586 1HE LYS 586 4.091 -16.823 -6.514 531 HE3 LYS 586 2HE LYS 586 4.441 -18.516 -6.132 532 HZ1 LYS 586 3HZ LYS 586 2.497 -19.202 -7.283 533 HZ2 LYS 586 1HZ LYS 586 1.986 -17.642 -7.523 534 HZ3 LYS 586 2HZ LYS 586 3.332 -18.194 -8.257 535 H GLU 587 H GLU 587 0.624 -14.001 -1.208 536 HA GLU 587 HA GLU 587 -0.717 -15.818 0.518 537 HB2 GLU 587 1HB GLU 587 0.809 -13.397 0.819 538 HB3 GLU 587 2HB GLU 587 -0.721 -13.124 1.635 539 HG2 GLU 587 1HG GLU 587 0.345 -14.068 3.373 540 HG3 GLU 587 2HG GLU 587 -0.209 -15.572 2.665 541 HA PRO 588 HA PRO 588 -5.071 -14.509 0.237 542 HB2 PRO 588 1HB PRO 588 -5.196 -14.523 3.211 543 HB3 PRO 588 2HB PRO 588 -6.192 -15.416 2.031 544 HG2 PRO 588 1HG PRO 588 -4.250 -16.624 3.549 545 HG3 PRO 588 2HG PRO 588 -4.648 -17.121 1.883 546 HD2 PRO 588 1HD PRO 588 -2.360 -15.434 2.847 547 HD3 PRO 588 2HD PRO 588 -2.356 -16.736 1.611 548 H VAL 589 H VAL 589 -5.722 -12.398 -0.021 549 HA VAL 589 HA VAL 589 -4.521 -10.115 1.055 550 HB VAL 589 HB VAL 589 -7.493 -10.528 0.465 551 HG11 VAL 589 1HG1 VAL 589 -7.589 -8.102 0.121 552 HG12 VAL 589 2HG1 VAL 589 -7.043 -8.437 1.752 553 HG13 VAL 589 3HG1 VAL 589 -5.865 -7.935 0.533 554 HG21 VAL 589 3HG2 VAL 589 -5.225 -9.493 -1.260 555 HG22 VAL 589 1HG2 VAL 589 -6.038 -11.069 -1.476 556 HG23 VAL 589 2HG2 VAL 589 -6.927 -9.586 -1.747 557 H ALA 590 H ALA 590 -7.175 -12.072 2.502 558 HA ALA 590 HA ALA 590 -7.631 -10.498 4.776 559 HB1 ALA 590 1HB ALA 590 -8.537 -12.558 5.789 560 HB2 ALA 590 2HB ALA 590 -9.040 -12.410 4.097 561 HB3 ALA 590 3HB ALA 590 -7.741 -13.541 4.540 562 H SER 591 H SER 591 -5.212 -13.136 4.378 563 HA SER 591 HA SER 591 -4.239 -12.985 7.067 564 HG SER 591 HG SER 591 -1.963 -15.472 6.117 565 HB2 SER 591 1HB SER 591 -4.052 -14.934 5.467 566 HB3 SER 591 2HB SER 591 -2.807 -14.027 4.587 567 H ILE 592 H ILE 592 -2.921 -11.656 3.908 568 HA ILE 592 HA ILE 592 -0.701 -10.524 5.079 569 HB ILE 592 HB ILE 592 -1.758 -11.052 2.554 570 HG12 ILE 592 1HG1 ILE 592 0.517 -11.346 3.302 571 HG13 ILE 592 2HG1 ILE 592 0.406 -10.579 1.716 572 HG21 ILE 592 1HG2 ILE 592 -1.478 -9.028 1.214 573 HG22 ILE 592 2HG2 ILE 592 -2.915 -9.001 2.258 574 HG23 ILE 592 3HG2 ILE 592 -1.482 -8.060 2.697 575 HD11 ILE 592 3HD1 ILE 592 0.726 -8.966 4.264 576 HD12 ILE 592 1HD1 ILE 592 2.105 -9.602 3.356 577 HD13 ILE 592 2HD1 ILE 592 0.985 -8.458 2.571 578 H ILE 593 H ILE 593 -3.960 -9.155 4.596 579 HA ILE 593 HA ILE 593 -3.382 -6.524 5.590 580 HB ILE 593 HB ILE 593 -5.858 -8.226 5.196 581 HG12 ILE 593 1HG1 ILE 593 -4.779 -5.593 4.066 582 HG13 ILE 593 2HG1 ILE 593 -4.850 -7.147 3.242 583 HG21 ILE 593 1HG2 ILE 593 -7.284 -6.400 5.941 584 HG22 ILE 593 2HG2 ILE 593 -6.353 -7.075 7.260 585 HG23 ILE 593 3HG2 ILE 593 -5.852 -5.533 6.535 586 HD11 ILE 593 3HD1 ILE 593 -6.610 -5.857 2.338 587 HD12 ILE 593 1HD1 ILE 593 -7.412 -6.982 3.458 588 HD13 ILE 593 2HD1 ILE 593 -7.143 -5.288 3.925 589 H THR 594 H THR 594 -4.746 -9.413 7.317 590 HA THR 594 HA THR 594 -4.467 -8.541 9.866 591 HB THR 594 HB THR 594 -4.073 -11.302 8.750 592 HG1 THR 594 1HG THR 594 -6.064 -10.791 8.262 593 HG21 THR 594 3HG2 THR 594 -4.739 -10.462 11.594 594 HG22 THR 594 1HG2 THR 594 -4.968 -12.103 10.942 595 HG23 THR 594 2HG2 THR 594 -3.344 -11.415 11.047 596 H LYS 595 H LYS 595 -1.503 -9.245 7.860 597 HA LYS 595 HA LYS 595 0.209 -9.129 10.202 598 HB2 LYS 595 1HB LYS 595 0.653 -8.712 7.223 599 HB3 LYS 595 2HB LYS 595 1.764 -8.084 8.388 600 HG2 LYS 595 1HG LYS 595 2.794 -10.082 8.100 601 HG3 LYS 595 2HG LYS 595 1.694 -10.554 9.403 602 HD2 LYS 595 1HD LYS 595 0.050 -11.104 7.445 603 HD3 LYS 595 2HD LYS 595 1.470 -11.061 6.412 604 HE2 LYS 595 1HE LYS 595 1.141 -12.817 8.909 605 HE3 LYS 595 2HE LYS 595 0.858 -13.359 7.258 606 HZ1 LYS 595 3HZ LYS 595 3.145 -12.919 6.734 607 HZ2 LYS 595 1HZ LYS 595 3.479 -12.468 8.296 608 HZ3 LYS 595 2HZ LYS 595 2.984 -14.011 7.952 609 H LEU 596 H LEU 596 -0.757 -6.698 7.777 610 HA LEU 596 HA LEU 596 0.405 -4.397 8.950 611 HG LEU 596 HG LEU 596 0.269 -5.378 6.160 612 HB2 LEU 596 1HB LEU 596 -2.031 -4.792 7.165 613 HB3 LEU 596 2HB LEU 596 -1.372 -3.226 7.550 614 HD11 LEU 596 1HD1 LEU 596 -0.204 -4.121 4.076 615 HD12 LEU 596 2HD1 LEU 596 -1.666 -4.825 4.776 616 HD13 LEU 596 3HD1 LEU 596 -1.349 -3.087 4.963 617 HD21 LEU 596 3HD2 LEU 596 1.703 -3.712 7.173 618 HD22 LEU 596 1HD2 LEU 596 1.599 -3.305 5.453 619 HD23 LEU 596 2HD2 LEU 596 0.658 -2.387 6.634 620 H ASN 597 H ASN 597 -2.471 -6.110 9.861 621 HA ASN 597 HA ASN 597 -3.734 -4.015 11.439 622 HB2 ASN 597 1HB ASN 597 -4.008 -7.051 11.349 623 HB3 ASN 597 2HB ASN 597 -4.998 -6.006 12.336 624 HD21 ASN 597 1HD2 ASN 597 -6.224 -7.561 10.590 625 HD22 ASN 597 2HD2 ASN 597 -6.850 -6.694 9.217 626 H SER 598 H SER 598 -1.057 -6.142 12.105 627 HA SER 598 HA SER 598 -1.630 -6.515 14.979 628 HG SER 598 HG SER 598 1.913 -7.894 13.884 629 HB2 SER 598 1HB SER 598 -0.295 -8.219 14.680 630 HB3 SER 598 2HB SER 598 -0.027 -7.771 13.011 631 H LEU 599 H LEU 599 0.498 -4.996 12.767 632 HA LEU 599 HA LEU 599 2.093 -3.596 14.318 633 HG LEU 599 HG LEU 599 3.325 -4.499 12.928 634 HB2 LEU 599 1HB LEU 599 1.239 -2.826 11.514 635 HB3 LEU 599 2HB LEU 599 2.503 -1.985 12.446 636 HD11 LEU 599 1HD1 LEU 599 1.685 -4.868 10.546 637 HD12 LEU 599 2HD1 LEU 599 3.125 -5.882 10.920 638 HD13 LEU 599 3HD1 LEU 599 1.836 -5.730 12.124 639 HD21 LEU 599 3HD2 LEU 599 4.652 -2.675 11.615 640 HD22 LEU 599 1HD2 LEU 599 4.905 -4.316 10.995 641 HD23 LEU 599 2HD2 LEU 599 3.783 -3.237 10.155 642 H ASN 600 H ASN 600 -0.894 -2.390 12.849 643 HA ASN 600 HA ASN 600 -2.507 -1.001 13.497 644 HB2 ASN 600 1HB ASN 600 -2.119 -2.291 15.691 645 HB3 ASN 600 2HB ASN 600 -1.370 -0.810 16.288 646 HD21 ASN 600 1HD2 ASN 600 -2.921 0.350 17.541 647 HD22 ASN 600 2HD2 ASN 600 -4.592 0.504 17.035 648 H GLU 601 H GLU 601 -0.006 -0.100 12.371 649 HA GLU 601 HA GLU 601 0.394 2.658 13.334 650 HB2 GLU 601 1HB GLU 601 1.863 0.817 11.409 651 HB3 GLU 601 2HB GLU 601 2.212 2.540 11.499 652 HG2 GLU 601 1HG GLU 601 2.317 0.639 13.878 653 HG3 GLU 601 2HG GLU 601 3.676 1.062 12.875 654 HA PRO 602 HA PRO 602 -1.883 4.076 9.704 655 HB2 PRO 602 1HB PRO 602 -0.676 6.503 9.128 656 HB3 PRO 602 2HB PRO 602 -1.812 6.262 10.476 657 HG2 PRO 602 1HG PRO 602 1.175 6.429 10.581 658 HG3 PRO 602 2HG PRO 602 -0.055 6.924 11.786 659 HD2 PRO 602 1HD PRO 602 1.445 4.583 11.964 660 HD3 PRO 602 2HD PRO 602 -0.115 4.899 12.764 661 H LEU 603 H LEU 603 -1.801 4.145 7.485 662 HA LEU 603 HA LEU 603 0.828 3.609 6.191 663 HG LEU 603 HG LEU 603 -1.379 1.183 7.303 664 HB2 LEU 603 1HB LEU 603 -1.822 2.447 5.296 665 HB3 LEU 603 2HB LEU 603 -0.239 2.090 4.643 666 HD11 LEU 603 1HD1 LEU 603 -1.231 -1.038 6.190 667 HD12 LEU 603 2HD1 LEU 603 -2.255 0.061 5.268 668 HD13 LEU 603 3HD1 LEU 603 -0.600 -0.269 4.723 669 HD21 LEU 603 3HD2 LEU 603 1.364 0.696 6.072 670 HD22 LEU 603 1HD2 LEU 603 1.006 1.537 7.602 671 HD23 LEU 603 2HD2 LEU 603 0.691 -0.193 7.465 672 H VAL 604 H VAL 604 0.764 3.926 3.836 673 HA VAL 604 HA VAL 604 -1.422 5.372 2.600 674 HB VAL 604 HB VAL 604 -0.112 7.260 3.256 675 HG11 VAL 604 1HG1 VAL 604 2.432 5.982 2.191 676 HG12 VAL 604 2HG1 VAL 604 2.271 7.620 2.837 677 HG13 VAL 604 3HG1 VAL 604 2.040 6.233 3.899 678 HG21 VAL 604 3HG2 VAL 604 0.691 6.651 0.390 679 HG22 VAL 604 1HG2 VAL 604 -0.847 7.375 0.926 680 HG23 VAL 604 2HG2 VAL 604 0.689 8.238 1.174 681 H THR 605 H THR 605 -1.763 4.023 0.751 682 HA THR 605 HA THR 605 0.360 3.102 -0.859 683 HB THR 605 HB THR 605 0.671 1.505 1.092 684 HG1 THR 605 1HG THR 605 1.306 0.003 -0.275 685 HG21 THR 605 3HG2 THR 605 -2.102 1.104 0.936 686 HG22 THR 605 1HG2 THR 605 -1.406 -0.338 0.205 687 HG23 THR 605 2HG2 THR 605 -0.938 0.146 1.852 688 H MET 606 H MET 606 -0.755 1.035 -2.201 689 HA MET 606 HA MET 606 -2.983 2.065 -3.716 690 HB2 MET 606 1HB MET 606 -1.554 -0.636 -3.709 691 HB3 MET 606 2HB MET 606 -2.411 0.085 -5.069 692 HG2 MET 606 1HG MET 606 -0.755 1.428 -5.703 693 HG3 MET 606 2HG MET 606 -0.041 1.588 -4.111 694 HE1 MET 606 3HE MET 606 0.518 -2.201 -6.698 695 HE2 MET 606 1HE MET 606 -1.028 -1.761 -5.940 696 HE3 MET 606 2HE MET 606 -0.359 -0.755 -7.253 697 HA PRO 607 HA PRO 607 -5.789 -0.874 -1.540 698 HB2 PRO 607 1HB PRO 607 -6.988 -2.289 -3.576 699 HB3 PRO 607 2HB PRO 607 -7.535 -0.708 -2.967 700 HG2 PRO 607 1HG PRO 607 -6.292 -1.315 -5.537 701 HG3 PRO 607 2HG PRO 607 -7.123 0.156 -5.028 702 HD2 PRO 607 1HD PRO 607 -4.295 -0.521 -5.123 703 HD3 PRO 607 2HD PRO 607 -4.927 1.103 -4.828 704 H ILE 608 H ILE 608 -5.591 -3.108 -0.835 705 HA ILE 608 HA ILE 608 -2.992 -4.249 -1.619 706 HB ILE 608 HB ILE 608 -4.925 -4.683 0.702 707 HG12 ILE 608 1HG1 ILE 608 -3.748 -2.509 0.748 708 HG13 ILE 608 2HG1 ILE 608 -3.353 -3.553 2.089 709 HG21 ILE 608 1HG2 ILE 608 -3.874 -6.793 0.470 710 HG22 ILE 608 2HG2 ILE 608 -2.304 -6.062 0.110 711 HG23 ILE 608 3HG2 ILE 608 -2.980 -5.966 1.751 712 HD11 ILE 608 3HD1 ILE 608 -1.593 -3.002 -0.347 713 HD12 ILE 608 1HD1 ILE 608 -1.371 -2.399 1.306 714 HD13 ILE 608 2HD1 ILE 608 -1.171 -4.115 0.977 715 H GLY 609 H GLY 609 -6.390 -5.333 -1.192 716 HA2 GLY 609 1HA GLY 609 -5.788 -7.769 -2.773 717 HA3 GLY 609 2HA GLY 609 -7.292 -7.398 -1.886 718 H TYR 610 H TYR 610 -5.309 -6.378 -4.628 719 HA TYR 610 HA TYR 610 -7.812 -5.620 -6.076 720 HD1 TYR 610 1HD TYR 610 -8.975 -4.151 -6.981 721 HD2 TYR 610 2HD TYR 610 -5.160 -2.194 -7.692 722 HE1 TYR 610 1HE TYR 610 -10.032 -2.697 -8.557 723 HE2 TYR 610 2HE TYR 610 -6.215 -0.796 -9.408 724 HH TYR 610 HH TYR 610 -8.139 -1.034 -10.912 725 HB2 TYR 610 1HB TYR 610 -6.513 -3.640 -5.187 726 HB3 TYR 610 2HB TYR 610 -5.203 -4.086 -6.262 727 H VAL 611 H VAL 611 -6.373 -5.086 -8.484 728 HA VAL 611 HA VAL 611 -5.957 -7.181 -10.015 729 HB VAL 611 HB VAL 611 -4.059 -5.909 -11.048 730 HG11 VAL 611 1HG1 VAL 611 -6.364 -4.046 -10.282 731 HG12 VAL 611 2HG1 VAL 611 -5.443 -4.090 -11.814 732 HG13 VAL 611 3HG1 VAL 611 -6.568 -5.394 -11.402 733 HG21 VAL 611 3HG2 VAL 611 -2.827 -4.829 -9.436 734 HG22 VAL 611 1HG2 VAL 611 -3.709 -3.522 -10.207 735 HG23 VAL 611 2HG2 VAL 611 -4.239 -4.117 -8.627 736 H THR 612 H THR 612 -3.401 -6.133 -7.806 737 HA THR 612 HA THR 612 -1.419 -8.059 -8.282 738 HB THR 612 HB THR 612 -0.828 -7.361 -5.829 739 HG1 THR 612 1HG THR 612 -2.043 -5.380 -5.265 740 HG21 THR 612 3HG2 THR 612 -0.098 -5.101 -6.601 741 HG22 THR 612 1HG2 THR 612 0.223 -6.351 -7.819 742 HG23 THR 612 2HG2 THR 612 -1.149 -5.250 -8.029 743 H HIS 613 H HIS 613 -4.401 -8.435 -6.473 744 HA HIS 613 HA HIS 613 -3.531 -11.125 -5.614 745 HD1 HIS 613 1HD HIS 613 -3.075 -8.029 -2.991 746 HD2 HIS 613 2HD HIS 613 -3.799 -12.197 -2.662 747 HE1 HIS 613 1HE HIS 613 -1.514 -8.937 -1.151 748 HE2 HIS 613 2HE HIS 613 -1.992 -11.547 -1.041 749 HB2 HIS 613 1HB HIS 613 -5.285 -9.057 -4.317 750 HB3 HIS 613 2HB HIS 613 -5.560 -10.750 -3.978 751 H GLY 614 H GLY 614 -4.956 -9.886 -8.212 752 HA2 GLY 614 1HA GLY 614 -6.620 -10.533 -9.612 753 HA3 GLY 614 2HA GLY 614 -6.641 -12.079 -8.749 754 H PHE 615 H PHE 615 -7.404 -8.759 -7.586 755 HA PHE 615 HA PHE 615 -10.194 -9.560 -6.847 756 HD1 PHE 615 2HD PHE 615 -8.393 -10.847 -5.314 757 HD2 PHE 615 1HD PHE 615 -10.071 -7.582 -3.126 758 HE1 PHE 615 2HE PHE 615 -8.361 -12.229 -3.233 759 HE2 PHE 615 1HE PHE 615 -10.173 -8.945 -1.086 760 HZ PHE 615 HZ PHE 615 -9.328 -11.314 -1.127 761 HB2 PHE 615 1HB PHE 615 -8.135 -7.832 -5.580 762 HB3 PHE 615 2HB PHE 615 -9.822 -7.407 -5.397 763 H ASN 616 H ASN 616 -11.597 -7.658 -6.974 764 HA ASN 616 HA ASN 616 -10.941 -5.655 -9.143 765 HB2 ASN 616 1HB ASN 616 -13.747 -6.211 -8.052 766 HB3 ASN 616 2HB ASN 616 -13.303 -5.540 -9.602 767 HD21 ASN 616 1HD2 ASN 616 -14.251 -8.393 -7.922 768 HD22 ASN 616 2HD2 ASN 616 -14.180 -9.423 -9.305 769 H LEU 617 H LEU 617 -12.352 -3.634 -8.820 770 HA LEU 617 HA LEU 617 -11.139 -2.405 -6.590 771 HG LEU 617 HG LEU 617 -12.452 0.954 -7.609 772 HB2 LEU 617 1HB LEU 617 -11.937 -1.329 -8.826 773 HB3 LEU 617 2HB LEU 617 -13.533 -1.253 -8.097 774 HD11 LEU 617 1HD1 LEU 617 -12.118 -0.305 -5.143 775 HD12 LEU 617 2HD1 LEU 617 -12.989 1.219 -5.742 776 HD13 LEU 617 3HD1 LEU 617 -13.668 -0.390 -5.971 777 HD21 LEU 617 3HD2 LEU 617 -10.266 1.238 -6.875 778 HD22 LEU 617 1HD2 LEU 617 -10.067 -0.475 -6.443 779 HD23 LEU 617 2HD2 LEU 617 -10.126 0.040 -8.140 780 H GLU 618 H GLU 618 -14.590 -3.212 -7.123 781 HA GLU 618 HA GLU 618 -15.755 -2.831 -4.751 782 HB2 GLU 618 1HB GLU 618 -16.770 -3.857 -6.732 783 HB3 GLU 618 2HB GLU 618 -15.938 -5.392 -6.410 784 HG2 GLU 618 1HG GLU 618 -17.109 -5.477 -4.172 785 HG3 GLU 618 2HG GLU 618 -17.952 -3.984 -4.583 786 H GLU 619 H GLU 619 -14.109 -5.983 -5.322 787 HA GLU 619 HA GLU 619 -14.341 -6.836 -2.651 788 HB2 GLU 619 1HB GLU 619 -12.742 -7.723 -5.002 789 HB3 GLU 619 2HB GLU 619 -12.353 -8.375 -3.405 790 HG2 GLU 619 1HG GLU 619 -15.279 -8.259 -4.125 791 HG3 GLU 619 2HG GLU 619 -14.273 -9.392 -4.984 792 H ALA 620 H ALA 620 -11.596 -5.161 -4.296 793 HA ALA 620 HA ALA 620 -9.808 -5.143 -2.188 794 HB1 ALA 620 1HB ALA 620 -8.655 -3.502 -3.316 795 HB2 ALA 620 2HB ALA 620 -9.539 -4.267 -4.621 796 HB3 ALA 620 3HB ALA 620 -10.115 -2.708 -3.987 797 H ALA 621 H ALA 621 -12.219 -2.563 -2.850 798 HA ALA 621 HA ALA 621 -11.800 -1.018 -0.514 799 HB1 ALA 621 1HB ALA 621 -13.078 -0.211 -2.432 800 HB2 ALA 621 2HB ALA 621 -14.249 -1.529 -2.220 801 HB3 ALA 621 3HB ALA 621 -14.122 -0.243 -0.993 802 H ARG 622 H ARG 622 -14.130 -3.735 -1.116 803 HA ARG 622 HA ARG 622 -15.176 -3.591 1.501 804 HE ARG 622 HE ARG 622 -18.597 -6.188 1.454 805 HB2 ARG 622 1HB ARG 622 -15.022 -6.005 -0.340 806 HB3 ARG 622 2HB ARG 622 -15.924 -5.946 1.184 807 HG2 ARG 622 1HG ARG 622 -17.090 -3.846 0.118 808 HG3 ARG 622 2HG ARG 622 -16.457 -4.461 -1.400 809 HD2 ARG 622 1HD ARG 622 -18.430 -5.579 -1.430 810 HD3 ARG 622 2HD ARG 622 -17.498 -6.771 -0.537 811 HH11 ARG 622 2HH2 ARG 622 -19.933 -4.254 -1.233 812 HH12 ARG 622 1HH2 ARG 622 -20.870 -3.237 -0.191 813 HH21 ARG 622 2HH1 ARG 622 -19.610 -4.735 2.755 814 HH22 ARG 622 1HH1 ARG 622 -20.550 -3.399 2.169 815 H CYS 623 H CYS 623 -12.329 -5.358 0.289 816 HA CYS 623 HA CYS 623 -11.879 -6.769 2.730 817 HG CYS 623 HG CYS 623 -11.087 -9.017 1.854 818 HB2 CYS 623 1HB CYS 623 -11.003 -7.116 0.222 819 HB3 CYS 623 2HB CYS 623 -9.612 -6.225 0.801 820 H MET 624 H MET 624 -11.099 -3.526 1.733 821 HA MET 624 HA MET 624 -9.014 -3.084 3.731 822 HB2 MET 624 1HB MET 624 -10.833 -1.162 2.255 823 HB3 MET 624 2HB MET 624 -9.762 -0.629 3.545 824 HG2 MET 624 1HG MET 624 -8.760 -2.191 1.142 825 HG3 MET 624 2HG MET 624 -8.844 -0.425 1.210 826 HE1 MET 624 3HE MET 624 -5.024 -0.647 1.514 827 HE2 MET 624 1HE MET 624 -6.009 -1.732 0.505 828 HE3 MET 624 2HE MET 624 -6.403 -0.007 0.626 829 H ARG 625 H ARG 625 -12.583 -3.421 4.009 830 HA ARG 625 HA ARG 625 -12.725 -2.400 6.683 831 HE ARG 625 HE ARG 625 -17.480 -3.797 6.726 832 HB2 ARG 625 1HB ARG 625 -14.270 -4.687 5.408 833 HB3 ARG 625 2HB ARG 625 -14.668 -3.854 6.894 834 HG2 ARG 625 1HG ARG 625 -14.885 -1.705 5.610 835 HG3 ARG 625 2HG ARG 625 -14.611 -2.622 4.117 836 HD2 ARG 625 1HD ARG 625 -16.976 -2.352 4.298 837 HD3 ARG 625 2HD ARG 625 -16.587 -4.028 4.645 838 HH11 ARG 625 2HH2 ARG 625 -17.061 -0.532 5.410 839 HH12 ARG 625 1HH2 ARG 625 -17.505 0.254 6.906 840 HH21 ARG 625 2HH1 ARG 625 -18.275 -2.694 8.636 841 HH22 ARG 625 1HH1 ARG 625 -18.183 -0.966 8.702 842 H SER 626 H SER 626 -11.325 -5.412 5.384 843 HA SER 626 HA SER 626 -11.288 -6.730 7.963 844 HG SER 626 HG SER 626 -12.257 -7.916 6.084 845 HB2 SER 626 1HB SER 626 -9.559 -7.312 5.509 846 HB3 SER 626 2HB SER 626 -9.956 -8.410 6.825 847 H LEU 627 H LEU 627 -9.494 -4.139 6.612 848 HA LEU 627 HA LEU 627 -7.090 -4.673 8.213 849 HG LEU 627 HG LEU 627 -5.952 -2.054 8.336 850 HB2 LEU 627 1HB LEU 627 -7.009 -3.526 5.895 851 HB3 LEU 627 2HB LEU 627 -7.944 -2.228 6.610 852 HD11 LEU 627 1HD1 LEU 627 -4.622 -3.995 7.533 853 HD12 LEU 627 2HD1 LEU 627 -4.565 -3.285 5.904 854 HD13 LEU 627 3HD1 LEU 627 -3.770 -2.487 7.274 855 HD21 LEU 627 3HD2 LEU 627 -6.669 -0.320 6.734 856 HD22 LEU 627 1HD2 LEU 627 -4.915 -0.408 6.918 857 HD23 LEU 627 2HD2 LEU 627 -5.690 -1.090 5.460 858 H LYS 628 H LYS 628 -6.684 -3.553 10.079 859 HA LYS 628 HA LYS 628 -8.992 -2.167 11.378 860 HB2 LYS 628 1HB LYS 628 -6.961 -4.044 12.603 861 HB3 LYS 628 2HB LYS 628 -8.310 -3.280 13.433 862 HG2 LYS 628 1HG LYS 628 -8.459 -5.357 11.217 863 HG3 LYS 628 2HG LYS 628 -8.819 -5.583 12.905 864 HD2 LYS 628 1HD LYS 628 -10.493 -3.718 11.165 865 HD3 LYS 628 2HD LYS 628 -10.757 -5.439 11.275 866 HE2 LYS 628 1HE LYS 628 -12.265 -4.494 12.779 867 HE3 LYS 628 2HE LYS 628 -11.001 -5.244 13.762 868 HZ1 LYS 628 3HZ LYS 628 -11.619 -3.119 14.610 869 HZ2 LYS 628 1HZ LYS 628 -10.084 -3.000 14.112 870 HZ3 LYS 628 2HZ LYS 628 -11.296 -2.348 13.189 871 H ALA 629 H ALA 629 -6.551 -0.992 9.894 872 HA ALA 629 HA ALA 629 -5.664 0.763 12.081 873 HB1 ALA 629 1HB ALA 629 -3.985 -1.008 11.934 874 HB2 ALA 629 2HB ALA 629 -3.877 -0.790 10.183 875 HB3 ALA 629 3HB ALA 629 -3.294 0.487 11.279 876 HA PRO 630 HA PRO 630 -6.635 3.697 9.154 877 HB2 PRO 630 1HB PRO 630 -5.164 5.912 9.786 878 HB3 PRO 630 2HB PRO 630 -6.403 5.177 10.847 879 HG2 PRO 630 1HG PRO 630 -3.410 4.863 10.990 880 HG3 PRO 630 2HG PRO 630 -4.565 5.055 12.330 881 HD2 PRO 630 1HD PRO 630 -3.512 2.669 11.529 882 HD3 PRO 630 2HD PRO 630 -5.108 2.833 12.330 883 H ALA 631 H ALA 631 -6.281 3.161 6.996 884 HA ALA 631 HA ALA 631 -3.588 3.522 5.816 885 HB1 ALA 631 1HB ALA 631 -4.258 1.265 5.659 886 HB2 ALA 631 2HB ALA 631 -5.955 1.685 5.290 887 HB3 ALA 631 3HB ALA 631 -4.702 1.927 4.081 888 H VAL 632 H VAL 632 -3.363 5.166 4.471 889 HA VAL 632 HA VAL 632 -5.634 6.465 3.084 890 HB VAL 632 HB VAL 632 -2.662 7.037 3.083 891 HG11 VAL 632 1HG1 VAL 632 -3.439 7.431 0.775 892 HG12 VAL 632 2HG1 VAL 632 -4.836 8.342 1.385 893 HG13 VAL 632 3HG1 VAL 632 -3.193 8.967 1.601 894 HG21 VAL 632 3HG2 VAL 632 -5.089 8.716 3.846 895 HG22 VAL 632 1HG2 VAL 632 -4.024 7.864 4.998 896 HG23 VAL 632 2HG2 VAL 632 -3.384 9.189 3.997 897 H VAL 633 H VAL 633 -6.544 5.348 1.483 898 HA VAL 633 HA VAL 633 -4.960 3.359 -0.033 899 HB VAL 633 HB VAL 633 -7.955 3.856 0.189 900 HG11 VAL 633 1HG1 VAL 633 -7.915 1.396 -0.651 901 HG12 VAL 633 2HG1 VAL 633 -7.666 2.690 -1.803 902 HG13 VAL 633 3HG1 VAL 633 -6.273 1.740 -1.205 903 HG21 VAL 633 3HG2 VAL 633 -7.158 3.119 2.362 904 HG22 VAL 633 1HG2 VAL 633 -7.954 1.772 1.572 905 HG23 VAL 633 2HG2 VAL 633 -6.166 1.865 1.635 906 H SER 634 H SER 634 -4.313 3.849 -2.181 907 HA SER 634 HA SER 634 -5.406 6.393 -3.285 908 HG SER 634 HG SER 634 -2.407 7.251 -4.682 909 HB2 SER 634 1HB SER 634 -2.991 6.255 -2.472 910 HB3 SER 634 2HB SER 634 -2.706 5.236 -3.908 911 H VAL 635 H VAL 635 -6.699 6.097 -5.021 912 HA VAL 635 HA VAL 635 -6.377 3.680 -6.748 913 HB VAL 635 HB VAL 635 -8.412 4.664 -7.899 914 HG11 VAL 635 1HG1 VAL 635 -8.508 2.698 -6.354 915 HG12 VAL 635 2HG1 VAL 635 -8.918 3.808 -5.029 916 HG13 VAL 635 3HG1 VAL 635 -10.008 3.656 -6.413 917 HG21 VAL 635 3HG2 VAL 635 -8.252 6.953 -6.780 918 HG22 VAL 635 1HG2 VAL 635 -9.842 6.187 -6.700 919 HG23 VAL 635 2HG2 VAL 635 -8.805 6.180 -5.278 920 H SER 636 H SER 636 -6.571 4.177 -9.159 921 HA SER 636 HA SER 636 -4.402 5.863 -9.755 922 HG SER 636 HG SER 636 -3.728 3.671 -10.962 923 HB2 SER 636 1HB SER 636 -6.351 4.494 -11.647 924 HB3 SER 636 2HB SER 636 -4.783 5.172 -12.117 925 H SER 637 H SER 637 -7.793 6.705 -9.675 926 HA SER 637 HA SER 637 -7.239 9.352 -10.781 927 HG SER 637 HG SER 637 -8.520 6.631 -12.933 928 HB2 SER 637 1HB SER 637 -9.692 7.923 -11.739 929 HB3 SER 637 2HB SER 637 -8.892 9.312 -12.461 930 HA PRO 638 HA PRO 638 -9.957 10.186 -7.586 931 HB2 PRO 638 1HB PRO 638 -11.225 12.572 -8.251 932 HB3 PRO 638 2HB PRO 638 -9.546 12.402 -7.677 933 HG2 PRO 638 1HG PRO 638 -10.508 12.640 -10.535 934 HG3 PRO 638 2HG PRO 638 -9.079 13.397 -9.756 935 HD2 PRO 638 1HD PRO 638 -8.918 11.184 -11.326 936 HD3 PRO 638 2HD PRO 638 -7.827 11.457 -9.931 937 H ASP 639 H ASP 639 -11.714 10.113 -10.681 938 HA ASP 639 HA ASP 639 -14.309 9.957 -9.643 939 HB2 ASP 639 1HB ASP 639 -13.666 10.296 -11.975 940 HB3 ASP 639 2HB ASP 639 -13.083 8.644 -12.095 941 H ALA 640 H ALA 640 -11.850 7.632 -9.477 942 HA ALA 640 HA ALA 640 -13.552 5.210 -8.829 943 HB1 ALA 640 1HB ALA 640 -11.495 4.832 -10.095 944 HB2 ALA 640 2HB ALA 640 -10.539 5.632 -8.834 945 HB3 ALA 640 3HB ALA 640 -11.405 4.121 -8.475 946 H VAL 641 H VAL 641 -12.054 7.972 -7.124 947 HA VAL 641 HA VAL 641 -11.690 6.580 -4.627 948 HB VAL 641 HB VAL 641 -12.172 9.528 -5.222 949 HG11 VAL 641 1HG1 VAL 641 -11.058 9.941 -3.033 950 HG12 VAL 641 2HG1 VAL 641 -12.538 8.998 -2.822 951 HG13 VAL 641 3HG1 VAL 641 -10.956 8.184 -2.769 952 HG21 VAL 641 3HG2 VAL 641 -9.511 8.203 -4.657 953 HG22 VAL 641 1HG2 VAL 641 -10.085 8.561 -6.289 954 HG23 VAL 641 2HG2 VAL 641 -9.805 9.879 -5.146 955 H THR 642 H THR 642 -14.244 8.693 -5.943 956 HA THR 642 HA THR 642 -16.111 8.488 -3.865 957 HB THR 642 HB THR 642 -16.355 9.022 -6.839 958 HG1 THR 642 1HG THR 642 -15.325 10.614 -5.501 959 HG21 THR 642 3HG2 THR 642 -18.611 9.989 -6.302 960 HG22 THR 642 1HG2 THR 642 -18.567 8.220 -6.199 961 HG23 THR 642 2HG2 THR 642 -18.542 9.199 -4.718 962 H THR 643 H THR 643 -15.778 6.283 -6.779 963 HA THR 643 HA THR 643 -17.892 4.626 -5.803 964 HB THR 643 HB THR 643 -15.689 3.384 -7.423 965 HG1 THR 643 1HG THR 643 -17.462 5.390 -8.367 966 HG21 THR 643 3HG2 THR 643 -18.737 3.492 -7.759 967 HG22 THR 643 1HG2 THR 643 -17.619 2.375 -8.560 968 HG23 THR 643 2HG2 THR 643 -17.893 2.255 -6.816 969 H TYR 644 H TYR 644 -14.366 4.621 -5.191 970 HA TYR 644 HA TYR 644 -14.139 2.049 -4.217 971 HD1 TYR 644 2HD TYR 644 -12.048 3.244 -1.100 972 HD2 TYR 644 1HD TYR 644 -11.141 1.657 -5.003 973 HE1 TYR 644 2HE TYR 644 -10.606 1.515 -0.035 974 HE2 TYR 644 1HE TYR 644 -9.888 -0.249 -3.909 975 HH TYR 644 HH TYR 644 -9.693 -0.639 -0.424 976 HB2 TYR 644 1HB TYR 644 -12.265 3.637 -4.791 977 HB3 TYR 644 2HB TYR 644 -12.540 4.489 -3.285 978 H ASN 645 H ASN 645 -14.624 5.137 -2.435 979 HA ASN 645 HA ASN 645 -15.003 4.022 0.158 980 HB2 ASN 645 1HB ASN 645 -16.170 6.595 -0.971 981 HB3 ASN 645 2HB ASN 645 -16.014 6.173 0.732 982 HD21 ASN 645 1HD2 ASN 645 -14.718 8.215 -1.329 983 HD22 ASN 645 2HD2 ASN 645 -13.012 8.063 -1.069 984 H GLY 646 H GLY 646 -17.163 4.681 -2.588 985 HA2 GLY 646 1HA GLY 646 -19.712 4.074 -1.704 986 HA3 GLY 646 2HA GLY 646 -19.068 3.661 -3.285 987 H TYR 647 H TYR 647 -17.421 1.685 -3.100 988 HA TYR 647 HA TYR 647 -18.898 -0.652 -2.415 989 HD1 TYR 647 1HD TYR 647 -18.883 -1.766 -4.648 990 HD2 TYR 647 2HD TYR 647 -15.173 0.479 -4.861 991 HE1 TYR 647 1HE TYR 647 -19.037 -1.657 -7.107 992 HE2 TYR 647 2HE TYR 647 -15.336 0.659 -7.152 993 HH TYR 647 HH TYR 647 -18.030 -0.957 -9.050 994 HB2 TYR 647 1HB TYR 647 -15.935 -0.271 -2.765 995 HB3 TYR 647 2HB TYR 647 -16.763 -1.826 -2.797 996 H LEU 648 H LEU 648 -16.594 1.280 -0.578 997 HA LEU 648 HA LEU 648 -16.154 -0.551 1.529 998 HG LEU 648 HG LEU 648 -13.964 0.189 1.494 999 HB2 LEU 648 1HB LEU 648 -15.364 2.095 0.851 1000 HB3 LEU 648 2HB LEU 648 -16.000 2.201 2.489 1001 HD11 LEU 648 1HD1 LEU 648 -13.415 2.721 3.052 1002 HD12 LEU 648 2HD1 LEU 648 -12.245 1.428 2.672 1003 HD13 LEU 648 3HD1 LEU 648 -12.972 2.380 1.359 1004 HD21 LEU 648 3HD2 LEU 648 -14.685 0.998 4.361 1005 HD22 LEU 648 1HD2 LEU 648 -15.257 -0.474 3.553 1006 HD23 LEU 648 2HD2 LEU 648 -13.528 -0.268 3.877 1007 H THR 649 H THR 649 -18.544 2.144 1.311 1008 HA THR 649 HA THR 649 -20.629 0.855 2.668 1009 HB THR 649 HB THR 649 -19.424 0.707 4.667 1010 HG1 THR 649 1HG THR 649 -21.292 2.696 4.586 1011 HG21 THR 649 3HG2 THR 649 -18.327 2.614 5.803 1012 HG22 THR 649 1HG2 THR 649 -17.538 2.193 4.297 1013 HG23 THR 649 2HG2 THR 649 -18.598 3.605 4.340 1014 H SER 650 H SER 650 -20.404 2.596 0.368 1015 HA SER 650 HA SER 650 -22.563 4.411 1.179 1016 HG SER 650 HG SER 650 -22.141 6.756 1.119 1017 HB2 SER 650 1HB SER 650 -20.031 5.327 -0.095 1018 HB3 SER 650 2HB SER 650 -21.547 5.925 -0.789 1019 H SER 651 H SER 651 -23.938 2.912 0.493 1020 HA SER 651 HA SER 651 -24.649 3.368 -2.353 1021 HG SER 651 HG SER 651 -26.328 3.400 0.626 1022 HB2 SER 651 1HB SER 651 -26.929 2.785 -1.503 1023 HB3 SER 651 2HB SER 651 -25.797 1.429 -1.311 Start of MODEL 8 1 H1 GLY -4 H GLY -4 -1.085 16.348 5.590 2 HA2 GLY -4 1HA GLY -4 -2.932 15.043 4.711 3 HA3 GLY -4 2HA GLY -4 -1.818 13.992 5.602 4 H SER -3 H SER -3 -4.872 15.858 5.891 5 HA SER -3 HA SER -3 -5.656 14.788 8.429 6 HG SER -3 HG SER -3 -6.106 17.530 7.694 7 HB2 SER -3 1HB SER -3 -7.047 16.233 6.162 8 HB3 SER -3 2HB SER -3 -8.007 15.448 7.430 9 H HIS -2 H HIS -2 -6.651 13.060 8.970 10 HA HIS -2 HA HIS -2 -7.254 10.940 9.053 11 HD1 HIS -2 1HD HIS -2 -11.848 10.854 8.394 12 HD2 HIS -2 2HD HIS -2 -8.359 10.643 10.807 13 HE1 HIS -2 1HE HIS -2 -12.547 9.901 10.657 14 HE2 HIS -2 2HE HIS -2 -10.396 9.699 12.074 15 HB2 HIS -2 1HB HIS -2 -9.295 12.579 7.948 16 HB3 HIS -2 2HB HIS -2 -9.416 11.062 7.094 17 H MET -1 H MET -1 -8.294 8.907 7.616 18 HA MET -1 HA MET -1 -6.214 8.338 5.588 19 HB2 MET -1 1HB MET -1 -6.661 7.159 8.309 20 HB3 MET -1 2HB MET -1 -6.476 5.999 7.006 21 HG2 MET -1 1HG MET -1 -4.315 6.272 6.949 22 HG3 MET -1 2HG MET -1 -4.452 7.980 6.586 23 HE1 MET -1 3HE MET -1 -4.156 9.916 8.238 24 HE2 MET -1 1HE MET -1 -5.539 9.367 9.230 25 HE3 MET -1 2HE MET -1 -3.992 9.738 9.995 26 H GLY 527 H GLY 527 -7.524 8.425 3.890 27 HA2 GLY 527 1HA GLY 527 -9.568 6.355 3.600 28 HA3 GLY 527 2HA GLY 527 -10.030 8.039 3.303 29 H THR 528 H THR 528 -10.361 6.838 1.141 30 HA THR 528 HA THR 528 -7.992 6.253 -0.413 31 HB THR 528 HB THR 528 -10.889 6.592 -1.253 32 HG1 THR 528 1HG THR 528 -10.657 5.056 0.350 33 HG21 THR 528 3HG2 THR 528 -10.306 5.015 -3.078 34 HG22 THR 528 1HG2 THR 528 -9.384 6.516 -3.228 35 HG23 THR 528 2HG2 THR 528 -8.594 5.079 -2.586 36 H VAL 529 H VAL 529 -7.096 7.438 -2.094 37 HA VAL 529 HA VAL 529 -8.048 10.144 -2.734 38 HB VAL 529 HB VAL 529 -5.729 10.999 -2.482 39 HG11 VAL 529 1HG1 VAL 529 -5.738 11.321 -0.109 40 HG12 VAL 529 2HG1 VAL 529 -7.415 11.321 -0.700 41 HG13 VAL 529 3HG1 VAL 529 -6.757 9.892 0.146 42 HG21 VAL 529 3HG2 VAL 529 -4.408 8.951 -2.638 43 HG22 VAL 529 1HG2 VAL 529 -4.119 9.685 -1.053 44 HG23 VAL 529 2HG2 VAL 529 -5.172 8.303 -1.180 45 H SER 530 H SER 530 -6.149 10.902 -4.531 46 HA SER 530 HA SER 530 -5.895 8.644 -6.444 47 HG SER 530 HG SER 530 -7.938 11.437 -6.058 48 HB2 SER 530 1HB SER 530 -6.305 10.553 -8.199 49 HB3 SER 530 2HB SER 530 -7.634 9.729 -7.408 50 H TRP 531 H TRP 531 -3.920 9.761 -4.444 51 HA TRP 531 HA TRP 531 -2.098 11.528 -5.709 52 HD1 TRP 531 HD TRP 531 -3.534 12.610 -3.944 53 HE1 TRP 531 1HE TRP 531 -4.224 13.433 -1.613 54 HE3 TRP 531 3HE TRP 531 -0.469 9.660 -1.146 55 HZ2 TRP 531 2HZ TRP 531 -3.763 12.632 1.130 56 HZ3 TRP 531 3HZ TRP 531 -0.632 9.662 1.316 57 HH2 TRP 531 HH TRP 531 -2.336 11.100 2.464 58 HB2 TRP 531 1HB TRP 531 -1.584 9.408 -3.609 59 HB3 TRP 531 2HB TRP 531 -0.545 10.742 -3.981 60 H ASN 532 H ASN 532 0.090 11.056 -6.359 61 HA ASN 532 HA ASN 532 0.240 8.541 -7.959 62 HB2 ASN 532 1HB ASN 532 1.733 9.726 -9.450 63 HB3 ASN 532 2HB ASN 532 0.212 10.581 -9.307 64 HD21 ASN 532 1HD2 ASN 532 1.439 12.375 -10.152 65 HD22 ASN 532 2HD2 ASN 532 2.374 13.430 -9.113 66 H LEU 533 H LEU 533 2.858 8.338 -8.392 67 HA LEU 533 HA LEU 533 3.874 7.268 -5.964 68 HG LEU 533 HG LEU 533 5.469 5.464 -8.812 69 HB2 LEU 533 1HB LEU 533 5.093 7.871 -8.690 70 HB3 LEU 533 2HB LEU 533 6.073 7.259 -7.376 71 HD11 LEU 533 1HD1 LEU 533 4.683 3.874 -7.193 72 HD12 LEU 533 2HD1 LEU 533 5.628 5.103 -6.323 73 HD13 LEU 533 3HD1 LEU 533 3.855 5.127 -6.256 74 HD21 LEU 533 3HD2 LEU 533 3.237 4.647 -9.200 75 HD22 LEU 533 1HD2 LEU 533 2.522 5.909 -8.188 76 HD23 LEU 533 2HD2 LEU 533 3.317 6.330 -9.727 77 H ARG 534 H ARG 534 4.250 10.507 -7.373 78 HA ARG 534 HA ARG 534 6.595 11.219 -5.808 79 HE ARG 534 HE ARG 534 8.423 12.643 -10.250 80 HB2 ARG 534 1HB ARG 534 4.445 13.046 -7.004 81 HB3 ARG 534 2HB ARG 534 5.983 13.552 -6.380 82 HG2 ARG 534 1HG ARG 534 5.700 11.720 -8.790 83 HG3 ARG 534 2HG ARG 534 5.731 13.477 -8.855 84 HD2 ARG 534 1HD ARG 534 7.990 13.113 -7.404 85 HD3 ARG 534 2HD ARG 534 7.960 11.562 -8.249 86 HH11 ARG 534 2HH2 ARG 534 7.722 15.127 -7.781 87 HH12 ARG 534 1HH2 ARG 534 7.951 16.449 -8.846 88 HH21 ARG 534 2HH1 ARG 534 8.794 14.374 -11.639 89 HH22 ARG 534 1HH1 ARG 534 8.636 16.017 -11.090 90 H GLU 535 H GLU 535 3.004 11.817 -5.516 91 HA GLU 535 HA GLU 535 3.279 13.184 -3.073 92 HB2 GLU 535 1HB GLU 535 1.035 12.123 -4.699 93 HB3 GLU 535 2HB GLU 535 0.762 12.299 -2.967 94 HG2 GLU 535 1HG GLU 535 2.000 14.713 -3.562 95 HG3 GLU 535 2HG GLU 535 1.152 14.358 -5.054 96 H MET 536 H MET 536 2.397 9.779 -3.816 97 HA MET 536 HA MET 536 2.037 8.878 -1.197 98 HB2 MET 536 1HB MET 536 3.131 7.519 -3.685 99 HB3 MET 536 2HB MET 536 3.096 6.697 -2.139 100 HG2 MET 536 1HG MET 536 0.551 7.422 -2.074 101 HG3 MET 536 2HG MET 536 0.772 7.571 -3.817 102 HE1 MET 536 3HE MET 536 -1.228 5.532 -2.371 103 HE2 MET 536 1HE MET 536 -1.037 5.791 -4.128 104 HE3 MET 536 2HE MET 536 -1.024 4.140 -3.462 105 H LEU 537 H LEU 537 5.174 8.832 -3.015 106 HA LEU 537 HA LEU 537 6.666 7.823 -0.806 107 HG LEU 537 HG LEU 537 6.781 6.916 -3.507 108 HB2 LEU 537 1HB LEU 537 7.437 9.384 -3.285 109 HB3 LEU 537 2HB LEU 537 8.641 8.885 -2.098 110 HD11 LEU 537 1HD1 LEU 537 8.698 6.354 -4.932 111 HD12 LEU 537 2HD1 LEU 537 8.229 8.050 -5.141 112 HD13 LEU 537 3HD1 LEU 537 9.664 7.648 -4.169 113 HD21 LEU 537 3HD2 LEU 537 9.289 6.555 -1.812 114 HD22 LEU 537 1HD2 LEU 537 7.657 5.982 -1.434 115 HD23 LEU 537 2HD2 LEU 537 8.551 5.265 -2.777 116 H ALA 538 H ALA 538 6.280 11.257 -1.924 117 HA ALA 538 HA ALA 538 7.934 12.267 0.218 118 HB1 ALA 538 1HB ALA 538 7.490 13.510 -1.894 119 HB2 ALA 538 2HB ALA 538 5.775 13.682 -1.422 120 HB3 ALA 538 3HB ALA 538 7.049 14.466 -0.470 121 H HIS 539 H HIS 539 4.493 11.396 0.118 122 HA HIS 539 HA HIS 539 3.780 12.726 2.577 123 HD1 HIS 539 1HD HIS 539 0.848 13.599 1.783 124 HD2 HIS 539 2HD HIS 539 0.939 9.865 3.768 125 HE1 HIS 539 1HE HIS 539 -1.030 13.665 3.442 126 HE2 HIS 539 2HE HIS 539 -1.082 11.415 4.662 127 HB2 HIS 539 1HB HIS 539 2.264 11.624 0.718 128 HB3 HIS 539 2HB HIS 539 2.481 10.141 1.603 129 H ALA 540 H ALA 540 4.633 9.354 1.749 130 HA ALA 540 HA ALA 540 4.749 8.378 4.442 131 HB1 ALA 540 1HB ALA 540 6.004 6.485 3.493 132 HB2 ALA 540 2HB ALA 540 4.636 6.902 2.447 133 HB3 ALA 540 3HB ALA 540 6.287 7.392 1.992 134 H GLU 541 H GLU 541 7.361 9.930 2.476 135 HA GLU 541 HA GLU 541 9.379 9.691 4.452 136 HB2 GLU 541 1HB GLU 541 8.741 11.558 2.128 137 HB3 GLU 541 2HB GLU 541 10.090 11.885 3.166 138 HG2 GLU 541 1HG GLU 541 10.529 9.231 2.735 139 HG3 GLU 541 2HG GLU 541 9.693 9.634 1.233 140 H GLU 542 H GLU 542 7.209 12.478 3.794 141 HA GLU 542 HA GLU 542 8.015 13.971 6.031 142 HB2 GLU 542 1HB GLU 542 6.920 14.575 3.866 143 HB3 GLU 542 2HB GLU 542 5.367 14.086 4.511 144 HG2 GLU 542 1HG GLU 542 5.332 15.873 6.061 145 HG3 GLU 542 2HG GLU 542 7.090 16.164 5.917 146 H THR 543 H THR 543 6.147 11.264 6.082 147 HA THR 543 HA THR 543 5.077 12.024 8.758 148 HB THR 543 HB THR 543 3.118 10.562 8.421 149 HG1 THR 543 1HG THR 543 4.034 10.549 5.733 150 HG21 THR 543 3HG2 THR 543 3.291 12.681 6.239 151 HG22 THR 543 1HG2 THR 543 1.829 12.021 7.010 152 HG23 THR 543 2HG2 THR 543 2.968 13.017 7.945 153 H ARG 544 H ARG 544 7.211 9.993 7.108 154 HA ARG 544 HA ARG 544 8.365 8.174 7.502 155 HE ARG 544 HE ARG 544 11.645 10.800 9.675 156 HB2 ARG 544 1HB ARG 544 7.664 8.569 10.441 157 HB3 ARG 544 2HB ARG 544 8.911 7.500 9.823 158 HG2 ARG 544 1HG ARG 544 8.909 10.542 9.514 159 HG3 ARG 544 2HG ARG 544 9.845 9.577 10.655 160 HD2 ARG 544 1HD ARG 544 10.660 8.325 8.462 161 HD3 ARG 544 2HD ARG 544 10.198 9.842 7.670 162 HH11 ARG 544 2HH2 ARG 544 12.446 8.184 7.372 163 HH12 ARG 544 1HH2 ARG 544 14.145 8.305 7.625 164 HH21 ARG 544 2HH1 ARG 544 13.876 10.844 10.093 165 HH22 ARG 544 1HH1 ARG 544 14.931 9.640 9.443 166 H LYS 545 H LYS 545 5.445 7.971 6.989 167 HA LYS 545 HA LYS 545 4.507 5.739 8.602 168 HB2 LYS 545 1HB LYS 545 3.327 7.177 6.182 169 HB3 LYS 545 2HB LYS 545 2.558 5.788 6.930 170 HG2 LYS 545 1HG LYS 545 2.573 6.890 9.137 171 HG3 LYS 545 2HG LYS 545 3.334 8.317 8.443 172 HD2 LYS 545 1HD LYS 545 1.384 8.667 6.965 173 HD3 LYS 545 2HD LYS 545 0.645 7.193 7.631 174 HE2 LYS 545 1HE LYS 545 0.663 8.183 9.886 175 HE3 LYS 545 2HE LYS 545 1.407 9.655 9.271 176 HZ1 LYS 545 3HZ LYS 545 -1.157 8.676 8.200 177 HZ2 LYS 545 1HZ LYS 545 -1.078 9.678 9.540 178 HZ3 LYS 545 2HZ LYS 545 -0.528 10.186 8.090 179 H LEU 546 H LEU 546 3.675 3.773 7.755 180 HA LEU 546 HA LEU 546 5.766 2.455 6.259 181 HG LEU 546 HG LEU 546 3.636 -0.037 5.793 182 HB2 LEU 546 1HB LEU 546 4.904 1.333 8.207 183 HB3 LEU 546 2HB LEU 546 3.235 1.520 7.659 184 HD11 LEU 546 1HD1 LEU 546 5.618 -1.050 5.283 185 HD12 LEU 546 2HD1 LEU 546 6.274 0.465 5.816 186 HD13 LEU 546 3HD1 LEU 546 6.298 -0.892 6.929 187 HD21 LEU 546 3HD2 LEU 546 2.829 -0.890 7.963 188 HD22 LEU 546 1HD2 LEU 546 3.808 -2.094 7.095 189 HD23 LEU 546 2HD2 LEU 546 4.504 -1.196 8.461 190 H MET 547 H MET 547 5.740 1.935 4.178 191 HA MET 547 HA MET 547 3.213 2.031 2.593 192 HB2 MET 547 1HB MET 547 4.756 3.813 2.065 193 HB3 MET 547 2HB MET 547 6.086 2.674 1.833 194 HG2 MET 547 1HG MET 547 4.908 1.628 -0.058 195 HG3 MET 547 2HG MET 547 3.528 2.700 0.177 196 HE1 MET 547 3HE MET 547 4.907 6.176 -0.884 197 HE2 MET 547 1HE MET 547 3.494 5.239 -0.319 198 HE3 MET 547 2HE MET 547 4.873 5.537 0.758 199 HA PRO 548 HA PRO 548 4.689 -2.285 2.220 200 HB2 PRO 548 1HB PRO 548 2.300 -3.478 1.560 201 HB3 PRO 548 2HB PRO 548 2.795 -3.092 3.234 202 HG2 PRO 548 1HG PRO 548 1.050 -1.469 1.376 203 HG3 PRO 548 2HG PRO 548 0.711 -1.935 3.079 204 HD2 PRO 548 1HD PRO 548 1.742 0.504 2.478 205 HD3 PRO 548 2HD PRO 548 2.311 -0.393 3.905 206 H ILE 549 H ILE 549 5.040 -3.664 0.325 207 HA ILE 549 HA ILE 549 4.137 -2.630 -2.319 208 HB ILE 549 HB ILE 549 6.990 -3.508 -1.660 209 HG12 ILE 549 1HG1 ILE 549 7.450 -1.152 -2.668 210 HG13 ILE 549 2HG1 ILE 549 5.794 -0.797 -2.183 211 HG21 ILE 549 1HG2 ILE 549 5.677 -2.840 -4.312 212 HG22 ILE 549 2HG2 ILE 549 7.441 -2.891 -4.068 213 HG23 ILE 549 3HG2 ILE 549 6.486 -4.341 -3.842 214 HD11 ILE 549 3HD1 ILE 549 8.192 -0.803 -0.674 215 HD12 ILE 549 1HD1 ILE 549 6.524 -0.529 -0.099 216 HD13 ILE 549 2HD1 ILE 549 7.252 -2.138 -0.009 217 H CYS 550 H CYS 550 3.211 -4.228 -3.455 218 HA CYS 550 HA CYS 550 3.573 -7.038 -2.708 219 HG CYS 550 HG CYS 550 2.028 -8.506 -3.125 220 HB2 CYS 550 1HB CYS 550 1.436 -5.943 -3.737 221 HB3 CYS 550 2HB CYS 550 2.303 -6.008 -5.275 222 H MET 551 H MET 551 5.453 -8.067 -3.284 223 HA MET 551 HA MET 551 7.400 -7.016 -5.036 224 HB2 MET 551 1HB MET 551 6.897 -9.832 -4.000 225 HB3 MET 551 2HB MET 551 8.271 -9.434 -5.027 226 HG2 MET 551 1HG MET 551 8.318 -7.494 -3.034 227 HG3 MET 551 2HG MET 551 7.857 -8.965 -2.178 228 HE1 MET 551 3HE MET 551 10.751 -7.765 -1.257 229 HE2 MET 551 1HE MET 551 9.813 -9.178 -0.723 230 HE3 MET 551 2HE MET 551 11.520 -9.358 -1.194 231 H ASP 552 H ASP 552 4.605 -8.865 -5.772 232 HA ASP 552 HA ASP 552 5.257 -10.010 -8.296 233 HB2 ASP 552 1HB ASP 552 3.203 -10.425 -6.974 234 HB3 ASP 552 2HB ASP 552 2.604 -8.823 -7.374 235 H VAL 553 H VAL 553 4.606 -6.625 -7.423 236 HA VAL 553 HA VAL 553 4.064 -5.949 -10.239 237 HB VAL 553 HB VAL 553 4.021 -4.121 -7.820 238 HG11 VAL 553 1HG1 VAL 553 2.561 -2.760 -9.351 239 HG12 VAL 553 2HG1 VAL 553 4.199 -2.947 -9.999 240 HG13 VAL 553 3HG1 VAL 553 2.867 -3.915 -10.652 241 HG21 VAL 553 3HG2 VAL 553 1.573 -4.423 -7.902 242 HG22 VAL 553 1HG2 VAL 553 1.756 -5.657 -9.176 243 HG23 VAL 553 2HG2 VAL 553 2.363 -5.951 -7.535 244 H ARG 554 H ARG 554 5.962 -6.545 -11.035 245 HA ARG 554 HA ARG 554 8.531 -5.851 -10.517 246 HE ARG 554 HE ARG 554 9.412 -10.092 -13.588 247 HB2 ARG 554 1HB ARG 554 7.142 -5.855 -13.229 248 HB3 ARG 554 2HB ARG 554 8.886 -5.774 -13.063 249 HG2 ARG 554 1HG ARG 554 7.524 -8.054 -11.641 250 HG3 ARG 554 2HG ARG 554 7.492 -8.069 -13.400 251 HD2 ARG 554 1HD ARG 554 9.976 -7.850 -13.460 252 HD3 ARG 554 2HD ARG 554 10.021 -7.891 -11.717 253 HH11 ARG 554 2HH2 ARG 554 9.752 -9.137 -10.131 254 HH12 ARG 554 1HH2 ARG 554 9.537 -10.768 -9.581 255 HH21 ARG 554 2HH1 ARG 554 9.154 -12.240 -12.734 256 HH22 ARG 554 1HH1 ARG 554 9.313 -12.495 -11.024 257 H ALA 555 H ALA 555 6.166 -3.700 -12.067 258 HA ALA 555 HA ALA 555 7.790 -1.483 -12.642 259 HB1 ALA 555 1HB ALA 555 4.833 -1.607 -11.879 260 HB2 ALA 555 2HB ALA 555 5.643 -0.244 -12.660 261 HB3 ALA 555 3HB ALA 555 5.510 -1.786 -13.510 262 H ILE 556 H ILE 556 5.883 -2.132 -9.612 263 HA ILE 556 HA ILE 556 6.688 0.358 -8.374 264 HB ILE 556 HB ILE 556 5.523 -2.195 -7.171 265 HG12 ILE 556 1HG1 ILE 556 4.218 0.506 -7.745 266 HG13 ILE 556 2HG1 ILE 556 4.075 -0.882 -8.817 267 HG21 ILE 556 1HG2 ILE 556 6.722 -0.934 -5.440 268 HG22 ILE 556 2HG2 ILE 556 5.930 0.578 -5.936 269 HG23 ILE 556 3HG2 ILE 556 5.000 -0.735 -5.190 270 HD11 ILE 556 3HD1 ILE 556 3.041 -2.166 -6.865 271 HD12 ILE 556 1HD1 ILE 556 2.926 -0.599 -6.026 272 HD13 ILE 556 2HD1 ILE 556 2.090 -0.845 -7.565 273 H MET 557 H MET 557 7.838 -3.059 -8.220 274 HA MET 557 HA MET 557 9.901 -2.584 -6.339 275 HB2 MET 557 1HB MET 557 9.650 -4.533 -8.698 276 HB3 MET 557 2HB MET 557 10.947 -4.665 -7.517 277 HG2 MET 557 1HG MET 557 8.124 -4.573 -6.464 278 HG3 MET 557 2HG MET 557 8.605 -5.998 -7.363 279 HE1 MET 557 3HE MET 557 9.697 -3.642 -4.411 280 HE2 MET 557 1HE MET 557 10.887 -4.658 -3.570 281 HE3 MET 557 2HE MET 557 11.283 -3.988 -5.161 282 H ALA 558 H ALA 558 9.920 -2.007 -9.884 283 HA ALA 558 HA ALA 558 12.696 -1.260 -10.034 284 HB1 ALA 558 1HB ALA 558 11.086 -1.757 -11.995 285 HB2 ALA 558 2HB ALA 558 10.445 -0.133 -11.757 286 HB3 ALA 558 3HB ALA 558 12.154 -0.345 -12.169 287 H THR 559 H THR 559 9.675 0.529 -9.453 288 HA THR 559 HA THR 559 10.637 3.154 -9.446 289 HB THR 559 HB THR 559 8.306 1.938 -7.896 290 HG1 THR 559 1HG THR 559 8.263 1.519 -10.157 291 HG21 THR 559 3HG2 THR 559 8.725 4.192 -7.103 292 HG22 THR 559 1HG2 THR 559 8.750 4.797 -8.781 293 HG23 THR 559 2HG2 THR 559 7.262 4.123 -8.080 294 H ILE 560 H ILE 560 10.288 0.911 -6.586 295 HA ILE 560 HA ILE 560 11.489 2.648 -4.698 296 HB ILE 560 HB ILE 560 11.339 -0.355 -4.879 297 HG12 ILE 560 1HG1 ILE 560 10.048 0.229 -2.797 298 HG13 ILE 560 2HG1 ILE 560 10.041 1.915 -3.264 299 HG21 ILE 560 1HG2 ILE 560 12.226 -0.406 -2.590 300 HG22 ILE 560 2HG2 ILE 560 13.457 0.277 -3.609 301 HG23 ILE 560 3HG2 ILE 560 12.469 1.344 -2.584 302 HD11 ILE 560 3HD1 ILE 560 8.672 1.259 -5.238 303 HD12 ILE 560 1HD1 ILE 560 8.801 -0.450 -4.687 304 HD13 ILE 560 2HD1 ILE 560 7.945 0.765 -3.716 305 H GLN 561 H GLN 561 13.022 -0.021 -6.642 306 HA GLN 561 HA GLN 561 15.542 0.452 -5.504 307 HB2 GLN 561 1HB GLN 561 14.692 -0.999 -8.036 308 HB3 GLN 561 2HB GLN 561 16.359 -1.001 -7.432 309 HG2 GLN 561 1HG GLN 561 15.651 -1.928 -5.293 310 HG3 GLN 561 2HG GLN 561 13.960 -1.897 -5.766 311 HE21 GLN 561 1HE2 GLN 561 13.354 -3.173 -7.755 312 HE22 GLN 561 2HE2 GLN 561 14.170 -4.722 -8.004 313 H ARG 562 H ARG 562 14.092 2.008 -8.257 314 HA ARG 562 HA ARG 562 16.539 3.218 -9.283 315 HE ARG 562 HE ARG 562 14.777 2.587 -13.850 316 HB2 ARG 562 1HB ARG 562 13.602 3.981 -9.516 317 HB3 ARG 562 2HB ARG 562 14.897 4.993 -10.181 318 HG2 ARG 562 1HG ARG 562 15.751 3.001 -11.465 319 HG3 ARG 562 2HG ARG 562 14.308 2.111 -10.942 320 HD2 ARG 562 1HD ARG 562 12.918 3.978 -11.953 321 HD3 ARG 562 2HD ARG 562 14.413 4.643 -12.605 322 HH11 ARG 562 2HH2 ARG 562 11.471 3.033 -12.630 323 HH12 ARG 562 1HH2 ARG 562 10.765 1.877 -13.706 324 HH21 ARG 562 2HH1 ARG 562 13.797 1.083 -15.366 325 HH22 ARG 562 1HH1 ARG 562 12.069 0.856 -15.291 326 H LYS 563 H LYS 563 14.215 4.328 -6.706 327 HA LYS 563 HA LYS 563 15.915 6.717 -6.370 328 HB2 LYS 563 1HB LYS 563 13.151 6.317 -6.175 329 HB3 LYS 563 2HB LYS 563 13.646 6.088 -4.534 330 HG2 LYS 563 1HG LYS 563 15.011 8.360 -4.972 331 HG3 LYS 563 2HG LYS 563 13.710 8.604 -6.154 332 HD2 LYS 563 1HD LYS 563 12.111 7.953 -4.227 333 HD3 LYS 563 2HD LYS 563 13.492 8.164 -3.149 334 HE2 LYS 563 1HE LYS 563 12.480 10.396 -4.947 335 HE3 LYS 563 2HE LYS 563 11.740 9.996 -3.388 336 HZ1 LYS 563 3HZ LYS 563 13.842 10.396 -2.307 337 HZ2 LYS 563 1HZ LYS 563 14.567 10.868 -3.687 338 HZ3 LYS 563 2HZ LYS 563 13.319 11.731 -3.042 339 H TYR 564 H TYR 564 15.167 3.703 -4.738 340 HA TYR 564 HA TYR 564 17.062 4.334 -2.548 341 HD1 TYR 564 2HD TYR 564 12.884 4.029 -3.315 342 HD2 TYR 564 1HD TYR 564 15.275 5.200 0.074 343 HE1 TYR 564 2HE TYR 564 11.361 5.961 -2.903 344 HE2 TYR 564 1HE TYR 564 13.749 7.103 0.483 345 HH TYR 564 HH TYR 564 11.921 8.446 -0.416 346 HB2 TYR 564 1HB TYR 564 14.580 2.554 -2.406 347 HB3 TYR 564 2HB TYR 564 15.623 3.017 -1.088 348 H LYS 565 H LYS 565 18.654 3.404 -4.333 349 HA LYS 565 HA LYS 565 18.231 0.581 -4.894 350 HB2 LYS 565 1HB LYS 565 19.233 2.250 -6.558 351 HB3 LYS 565 2HB LYS 565 20.522 2.564 -5.432 352 HG2 LYS 565 1HG LYS 565 21.256 1.096 -7.194 353 HG3 LYS 565 2HG LYS 565 21.361 0.358 -5.614 354 HD2 LYS 565 1HD LYS 565 19.445 -1.096 -6.082 355 HD3 LYS 565 2HD LYS 565 19.047 -0.179 -7.538 356 HE2 LYS 565 1HE LYS 565 21.192 -0.894 -8.573 357 HE3 LYS 565 2HE LYS 565 21.585 -1.815 -7.117 358 HZ1 LYS 565 3HZ LYS 565 20.676 -3.199 -8.868 359 HZ2 LYS 565 1HZ LYS 565 19.657 -3.223 -7.578 360 HZ3 LYS 565 2HZ LYS 565 19.294 -2.372 -8.937 361 H GLY 566 H GLY 566 20.399 2.416 -2.678 362 HA2 GLY 566 1HA GLY 566 22.210 0.453 -2.166 363 HA3 GLY 566 2HA GLY 566 21.668 1.593 -0.922 364 H ILE 567 H ILE 567 18.907 0.601 -0.898 365 HA ILE 567 HA ILE 567 19.145 -1.533 0.986 366 HB ILE 567 HB ILE 567 17.476 0.077 1.227 367 HG12 ILE 567 1HG1 ILE 567 16.895 -2.414 1.699 368 HG13 ILE 567 2HG1 ILE 567 15.755 -1.095 1.893 369 HG21 ILE 567 1HG2 ILE 567 16.989 1.000 -0.916 370 HG22 ILE 567 2HG2 ILE 567 16.418 -0.554 -1.553 371 HG23 ILE 567 3HG2 ILE 567 15.454 0.290 -0.357 372 HD11 ILE 567 3HD1 ILE 567 14.881 -3.195 0.652 373 HD12 ILE 567 1HD1 ILE 567 14.555 -1.609 -0.067 374 HD13 ILE 567 2HD1 ILE 567 15.859 -2.588 -0.733 375 H LYS 568 H LYS 568 18.170 -3.622 0.842 376 HA LYS 568 HA LYS 568 18.469 -4.922 -1.826 377 HB2 LYS 568 1HB LYS 568 19.273 -5.729 0.990 378 HB3 LYS 568 2HB LYS 568 19.036 -6.940 -0.270 379 HG2 LYS 568 1HG LYS 568 20.796 -6.163 -1.593 380 HG3 LYS 568 2HG LYS 568 20.816 -4.558 -0.880 381 HD2 LYS 568 1HD LYS 568 21.402 -6.802 1.006 382 HD3 LYS 568 2HD LYS 568 22.588 -6.535 -0.254 383 HE2 LYS 568 1HE LYS 568 21.566 -4.101 1.194 384 HE3 LYS 568 2HE LYS 568 22.639 -5.187 2.092 385 HZ1 LYS 568 3HZ LYS 568 23.406 -4.178 -0.574 386 HZ2 LYS 568 1HZ LYS 568 23.683 -3.330 0.805 387 HZ3 LYS 568 2HZ LYS 568 24.364 -4.809 0.588 388 H ILE 569 H ILE 569 16.613 -5.954 -2.509 389 HA ILE 569 HA ILE 569 14.208 -5.523 -0.927 390 HB ILE 569 HB ILE 569 14.726 -6.858 -3.622 391 HG12 ILE 569 1HG1 ILE 569 15.303 -4.545 -3.794 392 HG13 ILE 569 2HG1 ILE 569 13.727 -4.760 -4.531 393 HG21 ILE 569 1HG2 ILE 569 12.680 -7.737 -2.737 394 HG22 ILE 569 2HG2 ILE 569 12.085 -6.118 -2.305 395 HG23 ILE 569 3HG2 ILE 569 12.293 -6.601 -4.011 396 HD11 ILE 569 3HD1 ILE 569 13.803 -2.686 -3.239 397 HD12 ILE 569 1HD1 ILE 569 12.633 -3.818 -2.531 398 HD13 ILE 569 2HD1 ILE 569 14.205 -3.589 -1.770 399 H GLN 570 H GLN 570 13.659 -6.684 0.611 400 HA GLN 570 HA GLN 570 14.255 -9.563 0.866 401 HB2 GLN 570 1HB GLN 570 14.758 -9.176 3.209 402 HB3 GLN 570 2HB GLN 570 15.768 -8.101 2.243 403 HG2 GLN 570 1HG GLN 570 13.639 -6.433 2.719 404 HG3 GLN 570 2HG GLN 570 13.550 -7.450 4.149 405 HE21 GLN 570 1HE2 GLN 570 15.609 -5.188 2.290 406 HE22 GLN 570 2HE2 GLN 570 16.541 -4.662 3.664 407 H GLU 571 H GLU 571 12.484 -10.754 1.901 408 HA GLU 571 HA GLU 571 9.899 -9.544 1.391 409 HB2 GLU 571 1HB GLU 571 11.183 -12.236 1.945 410 HB3 GLU 571 2HB GLU 571 9.498 -12.022 2.367 411 HG2 GLU 571 1HG GLU 571 8.827 -11.555 0.124 412 HG3 GLU 571 2HG GLU 571 10.510 -11.370 -0.392 413 H GLY 572 H GLY 572 10.009 -7.837 3.095 414 HA2 GLY 572 1HA GLY 572 9.140 -8.543 5.689 415 HA3 GLY 572 2HA GLY 572 10.909 -8.500 5.698 416 H ILE 573 H ILE 573 10.411 -6.872 7.295 417 HA ILE 573 HA ILE 573 9.355 -4.258 6.579 418 HB ILE 573 HB ILE 573 10.616 -5.543 9.027 419 HG12 ILE 573 1HG1 ILE 573 8.255 -6.135 8.362 420 HG13 ILE 573 2HG1 ILE 573 8.447 -5.535 9.992 421 HG21 ILE 573 1HG2 ILE 573 10.092 -3.568 10.379 422 HG22 ILE 573 2HG2 ILE 573 11.323 -3.223 9.161 423 HG23 ILE 573 3HG2 ILE 573 9.658 -2.665 8.926 424 HD11 ILE 573 3HD1 ILE 573 7.464 -3.389 9.398 425 HD12 ILE 573 1HD1 ILE 573 7.461 -3.813 7.674 426 HD13 ILE 573 2HD1 ILE 573 6.420 -4.685 8.807 427 H VAL 574 H VAL 574 10.525 -2.562 5.943 428 HA VAL 574 HA VAL 574 13.490 -2.662 5.928 429 HB VAL 574 HB VAL 574 11.628 -2.045 3.594 430 HG11 VAL 574 1HG1 VAL 574 14.671 -1.892 3.699 431 HG12 VAL 574 2HG1 VAL 574 13.629 -1.579 2.285 432 HG13 VAL 574 3HG1 VAL 574 13.590 -0.476 3.649 433 HG21 VAL 574 3HG2 VAL 574 11.866 -4.398 3.720 434 HG22 VAL 574 1HG2 VAL 574 13.152 -3.948 2.585 435 HG23 VAL 574 2HG2 VAL 574 13.537 -4.288 4.277 436 H ASP 575 H ASP 575 14.295 -0.756 6.657 437 HA ASP 575 HA ASP 575 12.593 1.699 6.707 438 HB2 ASP 575 1HB ASP 575 12.501 0.728 8.906 439 HB3 ASP 575 2HB ASP 575 14.252 0.491 8.930 440 H TYR 576 H TYR 576 13.633 2.425 4.861 441 HA TYR 576 HA TYR 576 16.408 3.337 5.198 442 HD1 TYR 576 2HD TYR 576 18.971 2.436 4.280 443 HD2 TYR 576 1HD TYR 576 16.250 2.310 0.957 444 HE1 TYR 576 2HE TYR 576 20.716 3.416 2.833 445 HE2 TYR 576 1HE TYR 576 17.951 3.370 -0.490 446 HH TYR 576 HH TYR 576 19.938 4.705 -0.356 447 HB2 TYR 576 1HB TYR 576 16.817 1.117 4.333 448 HB3 TYR 576 2HB TYR 576 15.632 1.314 3.065 449 H GLY 577 H GLY 577 15.504 5.374 5.189 450 HA2 GLY 577 1HA GLY 577 15.060 7.372 4.144 451 HA3 GLY 577 2HA GLY 577 14.867 6.533 2.596 452 H VAL 578 H VAL 578 12.900 4.934 2.664 453 HA VAL 578 HA VAL 578 10.548 6.134 4.057 454 HB VAL 578 HB VAL 578 10.799 4.841 1.325 455 HG11 VAL 578 1HG1 VAL 578 8.199 5.286 2.869 456 HG12 VAL 578 2HG1 VAL 578 8.324 4.884 1.140 457 HG13 VAL 578 3HG1 VAL 578 8.860 3.716 2.348 458 HG21 VAL 578 3HG2 VAL 578 9.404 7.364 2.235 459 HG22 VAL 578 1HG2 VAL 578 11.045 7.298 1.535 460 HG23 VAL 578 2HG2 VAL 578 9.641 6.826 0.559 461 H ARG 579 H ARG 579 9.239 4.700 5.057 462 HA ARG 579 HA ARG 579 10.498 2.245 6.026 463 HE ARG 579 HE ARG 579 6.660 1.223 10.233 464 HB2 ARG 579 1HB ARG 579 9.498 3.979 7.525 465 HB3 ARG 579 2HB ARG 579 7.940 3.779 6.730 466 HG2 ARG 579 1HG ARG 579 7.864 1.440 7.468 467 HG3 ARG 579 2HG ARG 579 9.523 1.566 8.070 468 HD2 ARG 579 1HD ARG 579 8.832 3.086 9.850 469 HD3 ARG 579 2HD ARG 579 7.197 3.183 9.184 470 HH11 ARG 579 2HH2 ARG 579 10.217 1.331 10.314 471 HH12 ARG 579 1HH2 ARG 579 10.398 -0.296 10.800 472 HH21 ARG 579 2HH1 ARG 579 6.853 -0.771 11.073 473 HH22 ARG 579 1HH1 ARG 579 8.428 -1.454 11.453 474 H PHE 580 H PHE 580 10.229 0.538 4.628 475 HA PHE 580 HA PHE 580 7.708 0.392 3.043 476 HD1 PHE 580 2HD PHE 580 7.675 1.134 0.450 477 HD2 PHE 580 1HD PHE 580 11.711 1.315 1.852 478 HE1 PHE 580 2HE PHE 580 8.131 2.898 -1.192 479 HE2 PHE 580 1HE PHE 580 12.226 3.087 0.095 480 HZ PHE 580 HZ PHE 580 10.432 3.836 -1.416 481 HB2 PHE 580 1HB PHE 580 10.490 -0.574 2.359 482 HB3 PHE 580 2HB PHE 580 9.077 -0.974 1.432 483 H PHE 581 H PHE 581 6.912 -1.849 2.561 484 HA PHE 581 HA PHE 581 8.016 -4.029 4.235 485 HD1 PHE 581 1HD PHE 581 7.434 -5.676 5.824 486 HD2 PHE 581 2HD PHE 581 3.394 -4.499 4.886 487 HE1 PHE 581 1HE PHE 581 6.602 -7.813 6.735 488 HE2 PHE 581 2HE PHE 581 2.563 -6.670 5.749 489 HZ PHE 581 HZ PHE 581 4.166 -8.329 6.653 490 HB2 PHE 581 1HB PHE 581 6.329 -3.082 5.660 491 HB3 PHE 581 2HB PHE 581 5.145 -3.051 4.353 492 H PHE 582 H PHE 582 8.663 -5.288 2.542 493 HA PHE 582 HA PHE 582 7.034 -5.398 0.098 494 HD1 PHE 582 1HD PHE 582 8.702 -4.668 -2.030 495 HD2 PHE 582 2HD PHE 582 11.071 -5.044 1.525 496 HE1 PHE 582 1HE PHE 582 9.812 -2.465 -2.532 497 HE2 PHE 582 2HE PHE 582 12.207 -2.878 0.983 498 HZ PHE 582 HZ PHE 582 11.581 -1.600 -1.012 499 HB2 PHE 582 1HB PHE 582 9.586 -6.849 0.813 500 HB3 PHE 582 2HB PHE 582 8.817 -6.790 -0.771 501 H TYR 583 H TYR 583 5.718 -7.113 -0.450 502 HA TYR 583 HA TYR 583 5.694 -9.537 1.279 503 HD1 TYR 583 1HD TYR 583 1.887 -9.473 -0.335 504 HD2 TYR 583 2HD TYR 583 3.576 -5.751 0.984 505 HE1 TYR 583 1HE TYR 583 0.271 -8.263 -1.760 506 HE2 TYR 583 2HE TYR 583 1.811 -4.517 -0.301 507 HH TYR 583 HH TYR 583 -0.530 -6.078 -2.441 508 HB2 TYR 583 1HB TYR 583 3.347 -9.399 1.623 509 HB3 TYR 583 2HB TYR 583 4.059 -7.899 2.177 510 H THR 584 H THR 584 4.263 -11.301 0.335 511 HA THR 584 HA THR 584 4.827 -11.441 -2.563 512 HB THR 584 HB THR 584 4.546 -13.838 -2.253 513 HG1 THR 584 1HG THR 584 4.037 -13.247 0.497 514 HG21 THR 584 3HG2 THR 584 6.346 -12.772 -0.037 515 HG22 THR 584 1HG2 THR 584 6.502 -14.294 -0.929 516 HG23 THR 584 2HG2 THR 584 6.760 -12.752 -1.760 517 H SER 585 H SER 585 3.126 -11.901 -4.131 518 HA SER 585 HA SER 585 0.516 -10.957 -3.346 519 HG SER 585 HG SER 585 1.332 -12.596 -6.910 520 HB2 SER 585 1HB SER 585 -0.082 -11.736 -5.664 521 HB3 SER 585 2HB SER 585 1.241 -10.583 -5.582 522 H LYS 586 H LYS 586 2.066 -14.106 -3.462 523 HA LYS 586 HA LYS 586 -0.377 -15.623 -3.611 524 HB2 LYS 586 1HB LYS 586 2.501 -16.344 -2.937 525 HB3 LYS 586 2HB LYS 586 1.221 -17.549 -2.831 526 HG2 LYS 586 1HG LYS 586 1.762 -15.938 -5.359 527 HG3 LYS 586 2HG LYS 586 2.504 -17.503 -5.015 528 HD2 LYS 586 1HD LYS 586 0.347 -18.629 -4.979 529 HD3 LYS 586 2HD LYS 586 -0.512 -17.096 -5.056 530 HE2 LYS 586 1HE LYS 586 -0.677 -17.860 -7.226 531 HE3 LYS 586 2HE LYS 586 0.606 -16.648 -7.279 532 HZ1 LYS 586 3HZ LYS 586 1.280 -18.494 -8.506 533 HZ2 LYS 586 1HZ LYS 586 2.205 -18.545 -7.154 534 HZ3 LYS 586 2HZ LYS 586 0.924 -19.585 -7.341 535 H GLU 587 H GLU 587 1.254 -14.164 -0.863 536 HA GLU 587 HA GLU 587 0.033 -15.846 1.103 537 HB2 GLU 587 1HB GLU 587 1.897 -14.105 1.433 538 HB3 GLU 587 2HB GLU 587 0.625 -12.846 1.426 539 HG2 GLU 587 1HG GLU 587 -0.282 -13.595 3.437 540 HG3 GLU 587 2HG GLU 587 0.196 -15.271 3.172 541 HA PRO 588 HA PRO 588 -4.261 -14.557 0.311 542 HB2 PRO 588 1HB PRO 588 -4.555 -14.672 3.304 543 HB3 PRO 588 2HB PRO 588 -5.622 -15.347 2.039 544 HG2 PRO 588 1HG PRO 588 -3.941 -16.962 3.424 545 HG3 PRO 588 2HG PRO 588 -4.129 -17.140 1.657 546 HD2 PRO 588 1HD PRO 588 -1.931 -15.727 3.160 547 HD3 PRO 588 2HD PRO 588 -1.775 -16.876 1.804 548 H VAL 589 H VAL 589 -4.980 -12.553 0.027 549 HA VAL 589 HA VAL 589 -4.121 -10.083 0.981 550 HB VAL 589 HB VAL 589 -6.071 -10.123 -0.571 551 HG11 VAL 589 1HG1 VAL 589 -7.058 -12.392 0.781 552 HG12 VAL 589 2HG1 VAL 589 -8.171 -11.121 0.248 553 HG13 VAL 589 3HG1 VAL 589 -6.956 -11.838 -0.910 554 HG21 VAL 589 3HG2 VAL 589 -7.311 -9.395 2.048 555 HG22 VAL 589 1HG2 VAL 589 -6.256 -8.312 1.116 556 HG23 VAL 589 2HG2 VAL 589 -7.811 -8.891 0.461 557 H ALA 590 H ALA 590 -6.521 -11.950 2.233 558 HA ALA 590 HA ALA 590 -7.127 -10.884 4.720 559 HB1 ALA 590 1HB ALA 590 -8.290 -12.860 3.825 560 HB2 ALA 590 2HB ALA 590 -6.916 -13.886 4.279 561 HB3 ALA 590 3HB ALA 590 -7.877 -13.068 5.531 562 H SER 591 H SER 591 -4.436 -13.293 4.396 563 HA SER 591 HA SER 591 -3.597 -13.031 7.160 564 HG SER 591 HG SER 591 -1.071 -15.100 6.830 565 HB2 SER 591 1HB SER 591 -3.011 -15.058 5.983 566 HB3 SER 591 2HB SER 591 -2.235 -14.150 4.681 567 H ILE 592 H ILE 592 -2.480 -11.575 3.995 568 HA ILE 592 HA ILE 592 -0.401 -10.239 5.240 569 HB ILE 592 HB ILE 592 -1.348 -10.775 2.637 570 HG12 ILE 592 1HG1 ILE 592 0.886 -11.054 3.586 571 HG13 ILE 592 2HG1 ILE 592 0.925 -10.258 2.019 572 HG21 ILE 592 1HG2 ILE 592 -2.423 -8.708 2.300 573 HG22 ILE 592 2HG2 ILE 592 -0.960 -7.805 2.780 574 HG23 ILE 592 3HG2 ILE 592 -0.931 -8.856 1.339 575 HD11 ILE 592 3HD1 ILE 592 2.436 -9.272 3.843 576 HD12 ILE 592 1HD1 ILE 592 1.358 -8.134 3.009 577 HD13 ILE 592 2HD1 ILE 592 0.957 -8.688 4.636 578 H ILE 593 H ILE 593 -3.751 -9.234 4.757 579 HA ILE 593 HA ILE 593 -3.438 -6.608 5.811 580 HB ILE 593 HB ILE 593 -5.744 -8.509 5.314 581 HG12 ILE 593 1HG1 ILE 593 -5.021 -5.681 4.402 582 HG13 ILE 593 2HG1 ILE 593 -4.777 -7.170 3.491 583 HG21 ILE 593 1HG2 ILE 593 -6.406 -7.554 7.454 584 HG22 ILE 593 2HG2 ILE 593 -6.112 -5.913 6.840 585 HG23 ILE 593 3HG2 ILE 593 -7.412 -6.926 6.169 586 HD11 ILE 593 3HD1 ILE 593 -6.694 -6.094 2.568 587 HD12 ILE 593 1HD1 ILE 593 -7.297 -7.490 3.486 588 HD13 ILE 593 2HD1 ILE 593 -7.436 -5.848 4.155 589 H THR 594 H THR 594 -4.124 -9.795 7.435 590 HA THR 594 HA THR 594 -4.187 -8.860 10.048 591 HB THR 594 HB THR 594 -3.158 -11.469 8.930 592 HG1 THR 594 1HG THR 594 -5.109 -12.001 9.086 593 HG21 THR 594 3HG2 THR 594 -3.467 -10.688 11.826 594 HG22 THR 594 1HG2 THR 594 -3.278 -12.353 11.222 595 HG23 THR 594 2HG2 THR 594 -1.976 -11.192 11.018 596 H LYS 595 H LYS 595 -1.130 -9.005 7.977 597 HA LYS 595 HA LYS 595 0.521 -8.571 10.280 598 HB2 LYS 595 1HB LYS 595 0.889 -8.070 7.282 599 HB3 LYS 595 2HB LYS 595 1.993 -7.483 8.480 600 HG2 LYS 595 1HG LYS 595 3.038 -9.458 8.115 601 HG3 LYS 595 2HG LYS 595 1.926 -9.980 9.374 602 HD2 LYS 595 1HD LYS 595 0.344 -10.717 7.577 603 HD3 LYS 595 2HD LYS 595 1.601 -10.323 6.372 604 HE2 LYS 595 1HE LYS 595 3.155 -11.844 7.568 605 HE3 LYS 595 2HE LYS 595 1.863 -12.285 8.697 606 HZ1 LYS 595 3HZ LYS 595 2.122 -13.878 6.913 607 HZ2 LYS 595 1HZ LYS 595 0.636 -13.188 6.773 608 HZ3 LYS 595 2HZ LYS 595 1.915 -12.790 5.778 609 H LEU 596 H LEU 596 -0.910 -6.227 7.840 610 HA LEU 596 HA LEU 596 0.157 -4.008 9.222 611 HG LEU 596 HG LEU 596 -0.996 -3.045 5.928 612 HB2 LEU 596 1HB LEU 596 -2.351 -4.266 7.524 613 HB3 LEU 596 2HB LEU 596 -1.607 -2.755 8.046 614 HD11 LEU 596 1HD1 LEU 596 1.513 -4.183 7.213 615 HD12 LEU 596 2HD1 LEU 596 1.417 -3.075 5.832 616 HD13 LEU 596 3HD1 LEU 596 0.990 -2.517 7.460 617 HD21 LEU 596 3HD2 LEU 596 -0.121 -4.792 4.701 618 HD22 LEU 596 1HD2 LEU 596 0.085 -5.813 6.129 619 HD23 LEU 596 2HD2 LEU 596 -1.551 -5.384 5.552 620 H ASN 597 H ASN 597 -2.944 -5.652 9.605 621 HA ASN 597 HA ASN 597 -4.123 -4.055 11.643 622 HB2 ASN 597 1HB ASN 597 -4.059 -7.105 11.589 623 HB3 ASN 597 2HB ASN 597 -5.070 -6.089 12.589 624 HD21 ASN 597 1HD2 ASN 597 -5.814 -8.151 10.562 625 HD22 ASN 597 2HD2 ASN 597 -6.884 -7.235 9.514 626 H SER 598 H SER 598 -1.897 -6.814 12.003 627 HA SER 598 HA SER 598 -1.636 -6.712 14.781 628 HG SER 598 HG SER 598 1.740 -7.833 14.013 629 HB2 SER 598 1HB SER 598 -0.155 -8.359 14.587 630 HB3 SER 598 2HB SER 598 -0.677 -8.409 12.915 631 H LEU 599 H LEU 599 0.530 -5.304 12.399 632 HA LEU 599 HA LEU 599 2.178 -3.750 14.080 633 HG LEU 599 HG LEU 599 2.385 -5.246 11.283 634 HB2 LEU 599 1HB LEU 599 1.180 -3.063 11.279 635 HB3 LEU 599 2HB LEU 599 2.550 -2.311 12.086 636 HD11 LEU 599 1HD1 LEU 599 2.667 -3.606 9.403 637 HD12 LEU 599 2HD1 LEU 599 4.124 -2.983 10.211 638 HD13 LEU 599 3HD1 LEU 599 4.072 -4.660 9.632 639 HD21 LEU 599 3HD2 LEU 599 4.831 -5.223 11.881 640 HD22 LEU 599 1HD2 LEU 599 4.536 -3.672 12.705 641 HD23 LEU 599 2HD2 LEU 599 3.720 -5.147 13.255 642 H ASN 600 H ASN 600 -0.985 -2.945 12.710 643 HA ASN 600 HA ASN 600 -2.545 -1.451 13.121 644 HB2 ASN 600 1HB ASN 600 -2.539 -2.467 15.384 645 HB3 ASN 600 2HB ASN 600 -1.386 -1.232 15.913 646 HD21 ASN 600 1HD2 ASN 600 -2.838 -0.241 17.425 647 HD22 ASN 600 2HD2 ASN 600 -4.296 0.592 16.903 648 H GLU 601 H GLU 601 -0.546 -0.507 11.612 649 HA GLU 601 HA GLU 601 0.210 2.138 12.739 650 HB2 GLU 601 1HB GLU 601 1.687 0.205 10.935 651 HB3 GLU 601 2HB GLU 601 2.192 1.883 11.147 652 HG2 GLU 601 1HG GLU 601 1.672 0.605 13.757 653 HG3 GLU 601 2HG GLU 601 2.837 -0.315 12.805 654 HA PRO 602 HA PRO 602 -2.127 3.843 9.483 655 HB2 PRO 602 1HB PRO 602 -1.159 6.400 9.293 656 HB3 PRO 602 2HB PRO 602 -2.056 5.791 10.709 657 HG2 PRO 602 1HG PRO 602 0.945 6.043 10.375 658 HG3 PRO 602 2HG PRO 602 -0.056 6.524 11.777 659 HD2 PRO 602 1HD PRO 602 1.324 4.147 11.628 660 HD3 PRO 602 2HD PRO 602 -0.211 4.321 12.517 661 H LEU 603 H LEU 603 -1.938 3.101 7.483 662 HA LEU 603 HA LEU 603 0.671 3.104 6.131 663 HG LEU 603 HG LEU 603 -1.605 1.047 7.322 664 HB2 LEU 603 1HB LEU 603 -1.941 2.043 5.012 665 HB3 LEU 603 2HB LEU 603 -0.308 1.525 4.605 666 HD11 LEU 603 1HD1 LEU 603 -2.841 -0.028 5.489 667 HD12 LEU 603 2HD1 LEU 603 -1.353 -0.864 4.992 668 HD13 LEU 603 3HD1 LEU 603 -2.088 -1.156 6.604 669 HD21 LEU 603 3HD2 LEU 603 0.157 -0.508 7.717 670 HD22 LEU 603 1HD2 LEU 603 0.794 -0.353 6.056 671 HD23 LEU 603 2HD2 LEU 603 0.928 0.994 7.220 672 H VAL 604 H VAL 604 0.737 3.427 3.719 673 HA VAL 604 HA VAL 604 -1.304 5.067 2.473 674 HB VAL 604 HB VAL 604 -0.039 6.844 3.398 675 HG11 VAL 604 1HG1 VAL 604 2.558 5.590 2.457 676 HG12 VAL 604 2HG1 VAL 604 2.380 7.183 3.215 677 HG13 VAL 604 3HG1 VAL 604 2.013 5.727 4.137 678 HG21 VAL 604 3HG2 VAL 604 1.058 6.576 0.585 679 HG22 VAL 604 1HG2 VAL 604 -0.562 7.175 1.006 680 HG23 VAL 604 2HG2 VAL 604 0.886 8.059 1.555 681 H THR 605 H THR 605 -1.743 3.727 0.750 682 HA THR 605 HA THR 605 0.332 2.735 -0.990 683 HB THR 605 HB THR 605 0.656 1.275 0.940 684 HG1 THR 605 1HG THR 605 0.879 0.354 -1.121 685 HG21 THR 605 3HG2 THR 605 -1.046 -0.301 1.718 686 HG22 THR 605 1HG2 THR 605 -1.579 1.363 1.985 687 HG23 THR 605 2HG2 THR 605 -2.249 0.425 0.631 688 H MET 606 H MET 606 -1.129 0.594 -2.034 689 HA MET 606 HA MET 606 -3.564 1.829 -3.230 690 HB2 MET 606 1HB MET 606 -1.702 -0.265 -4.432 691 HB3 MET 606 2HB MET 606 -3.103 0.466 -5.224 692 HG2 MET 606 1HG MET 606 -1.987 2.710 -4.978 693 HG3 MET 606 2HG MET 606 -0.536 1.848 -4.471 694 HE1 MET 606 3HE MET 606 -0.218 -0.392 -7.950 695 HE2 MET 606 1HE MET 606 0.119 -0.484 -6.205 696 HE3 MET 606 2HE MET 606 -1.529 -0.744 -6.820 697 HA PRO 607 HA PRO 607 -5.750 -1.211 -1.299 698 HB2 PRO 607 1HB PRO 607 -7.462 -2.468 -3.192 699 HB3 PRO 607 2HB PRO 607 -7.750 -0.984 -2.283 700 HG2 PRO 607 1HG PRO 607 -7.086 -1.218 -5.110 701 HG3 PRO 607 2HG PRO 607 -7.645 0.202 -4.194 702 HD2 PRO 607 1HD PRO 607 -4.988 -0.438 -5.092 703 HD3 PRO 607 2HD PRO 607 -5.500 1.028 -4.209 704 H ILE 608 H ILE 608 -5.041 -2.895 -0.324 705 HA ILE 608 HA ILE 608 -3.032 -4.539 -1.404 706 HB ILE 608 HB ILE 608 -4.704 -4.777 1.141 707 HG12 ILE 608 1HG1 ILE 608 -3.425 -2.689 1.027 708 HG13 ILE 608 2HG1 ILE 608 -2.863 -3.759 2.299 709 HG21 ILE 608 1HG2 ILE 608 -2.815 -6.147 2.072 710 HG22 ILE 608 2HG2 ILE 608 -3.742 -6.968 0.805 711 HG23 ILE 608 3HG2 ILE 608 -2.147 -6.269 0.428 712 HD11 ILE 608 3HD1 ILE 608 -1.009 -2.626 1.174 713 HD12 ILE 608 1HD1 ILE 608 -0.881 -4.378 0.980 714 HD13 ILE 608 2HD1 ILE 608 -1.452 -3.367 -0.371 715 H GLY 609 H GLY 609 -6.424 -5.451 -0.559 716 HA2 GLY 609 1HA GLY 609 -6.056 -8.015 -1.980 717 HA3 GLY 609 2HA GLY 609 -7.470 -7.565 -1.047 718 H TYR 610 H TYR 610 -5.717 -6.767 -3.999 719 HA TYR 610 HA TYR 610 -8.221 -6.085 -5.477 720 HD1 TYR 610 2HD TYR 610 -9.203 -4.943 -6.994 721 HD2 TYR 610 1HD TYR 610 -5.567 -2.513 -6.846 722 HE1 TYR 610 2HE TYR 610 -9.906 -3.761 -8.864 723 HE2 TYR 610 1HE TYR 610 -6.331 -1.317 -8.853 724 HH TYR 610 HH TYR 610 -7.884 -1.371 -10.624 725 HB2 TYR 610 1HB TYR 610 -7.108 -4.027 -4.643 726 HB3 TYR 610 2HB TYR 610 -5.660 -4.486 -5.533 727 H VAL 611 H VAL 611 -6.713 -5.620 -7.846 728 HA VAL 611 HA VAL 611 -6.363 -7.700 -9.314 729 HB VAL 611 HB VAL 611 -4.314 -6.635 -10.370 730 HG11 VAL 611 1HG1 VAL 611 -6.678 -6.116 -11.032 731 HG12 VAL 611 2HG1 VAL 611 -6.714 -4.811 -9.833 732 HG13 VAL 611 3HG1 VAL 611 -5.617 -4.712 -11.218 733 HG21 VAL 611 3HG2 VAL 611 -3.292 -5.474 -8.469 734 HG22 VAL 611 1HG2 VAL 611 -3.713 -4.367 -9.759 735 HG23 VAL 611 2HG2 VAL 611 -4.721 -4.438 -8.312 736 H THR 612 H THR 612 -3.608 -6.915 -7.150 737 HA THR 612 HA THR 612 -1.858 -9.001 -7.850 738 HB THR 612 HB THR 612 -0.983 -8.560 -5.472 739 HG1 THR 612 1HG THR 612 -2.241 -6.314 -4.914 740 HG21 THR 612 3HG2 THR 612 -0.212 -6.294 -5.988 741 HG22 THR 612 1HG2 THR 612 -0.166 -7.304 -7.445 742 HG23 THR 612 2HG2 THR 612 -1.475 -6.119 -7.221 743 H HIS 613 H HIS 613 -4.455 -8.883 -5.504 744 HA HIS 613 HA HIS 613 -4.331 -11.714 -4.655 745 HD1 HIS 613 1HD HIS 613 -3.257 -8.229 -2.511 746 HD2 HIS 613 2HD HIS 613 -3.927 -12.363 -1.987 747 HE1 HIS 613 1HE HIS 613 -1.410 -9.104 -0.878 748 HE2 HIS 613 2HE HIS 613 -1.764 -11.706 -0.748 749 HB2 HIS 613 1HB HIS 613 -5.557 -9.271 -3.536 750 HB3 HIS 613 2HB HIS 613 -5.820 -10.934 -2.950 751 H GLY 614 H GLY 614 -5.403 -10.416 -7.343 752 HA2 GLY 614 1HA GLY 614 -6.914 -11.152 -8.850 753 HA3 GLY 614 2HA GLY 614 -7.391 -12.380 -7.685 754 H PHE 615 H PHE 615 -7.881 -9.114 -6.490 755 HA PHE 615 HA PHE 615 -10.799 -9.718 -6.714 756 HD1 PHE 615 2HD PHE 615 -10.041 -11.185 -5.270 757 HD2 PHE 615 1HD PHE 615 -10.166 -7.946 -2.526 758 HE1 PHE 615 2HE PHE 615 -9.664 -12.748 -3.434 759 HE2 PHE 615 1HE PHE 615 -9.598 -9.446 -0.717 760 HZ PHE 615 HZ PHE 615 -9.276 -11.857 -1.201 761 HB2 PHE 615 1HB PHE 615 -9.216 -7.923 -4.891 762 HB3 PHE 615 2HB PHE 615 -10.924 -7.706 -5.056 763 H ASN 616 H ASN 616 -12.196 -8.079 -6.934 764 HA ASN 616 HA ASN 616 -11.572 -6.064 -9.002 765 HB2 ASN 616 1HB ASN 616 -14.225 -6.465 -7.494 766 HB3 ASN 616 2HB ASN 616 -14.003 -5.717 -9.069 767 HD21 ASN 616 1HD2 ASN 616 -15.270 -8.469 -7.680 768 HD22 ASN 616 2HD2 ASN 616 -14.898 -9.595 -8.960 769 H LEU 617 H LEU 617 -12.549 -3.823 -8.574 770 HA LEU 617 HA LEU 617 -11.122 -2.796 -6.290 771 HG LEU 617 HG LEU 617 -12.504 0.007 -6.283 772 HB2 LEU 617 1HB LEU 617 -11.423 -1.698 -8.555 773 HB3 LEU 617 2HB LEU 617 -13.124 -1.463 -8.154 774 HD11 LEU 617 1HD1 LEU 617 -10.267 -0.891 -5.674 775 HD12 LEU 617 2HD1 LEU 617 -9.628 -0.421 -7.268 776 HD13 LEU 617 3HD1 LEU 617 -10.130 0.816 -6.097 777 HD21 LEU 617 3HD2 LEU 617 -11.219 0.721 -8.944 778 HD22 LEU 617 1HD2 LEU 617 -12.934 0.913 -8.500 779 HD23 LEU 617 2HD2 LEU 617 -11.694 1.884 -7.677 780 H GLU 618 H GLU 618 -14.412 -3.658 -7.032 781 HA GLU 618 HA GLU 618 -15.833 -2.684 -4.771 782 HB2 GLU 618 1HB GLU 618 -16.768 -3.436 -6.907 783 HB3 GLU 618 2HB GLU 618 -16.190 -5.076 -6.610 784 HG2 GLU 618 1HG GLU 618 -17.716 -5.170 -4.595 785 HG3 GLU 618 2HG GLU 618 -18.364 -3.592 -5.088 786 H GLU 619 H GLU 619 -14.577 -6.019 -5.420 787 HA GLU 619 HA GLU 619 -15.031 -7.009 -2.812 788 HB2 GLU 619 1HB GLU 619 -13.284 -7.798 -5.125 789 HB3 GLU 619 2HB GLU 619 -12.864 -8.447 -3.547 790 HG2 GLU 619 1HG GLU 619 -15.721 -8.759 -3.916 791 HG3 GLU 619 2HG GLU 619 -14.875 -9.342 -5.332 792 H ALA 620 H ALA 620 -12.185 -5.320 -4.177 793 HA ALA 620 HA ALA 620 -10.561 -5.496 -1.891 794 HB1 ALA 620 1HB ALA 620 -9.243 -3.774 -2.854 795 HB2 ALA 620 2HB ALA 620 -9.829 -4.743 -4.192 796 HB3 ALA 620 3HB ALA 620 -10.590 -3.163 -3.863 797 H ALA 621 H ALA 621 -13.026 -3.000 -2.723 798 HA ALA 621 HA ALA 621 -12.587 -1.297 -0.491 799 HB1 ALA 621 1HB ALA 621 -15.056 -0.732 -0.941 800 HB2 ALA 621 2HB ALA 621 -13.934 -0.509 -2.301 801 HB3 ALA 621 3HB ALA 621 -15.009 -1.913 -2.231 802 H ARG 622 H ARG 622 -14.786 -4.115 -0.907 803 HA ARG 622 HA ARG 622 -15.768 -3.922 1.781 804 HE ARG 622 HE ARG 622 -19.307 -6.992 1.302 805 HB2 ARG 622 1HB ARG 622 -15.636 -6.433 0.064 806 HB3 ARG 622 2HB ARG 622 -16.648 -6.176 1.491 807 HG2 ARG 622 1HG ARG 622 -17.617 -4.144 0.115 808 HG3 ARG 622 2HG ARG 622 -16.893 -4.954 -1.264 809 HD2 ARG 622 1HD ARG 622 -19.149 -5.673 -1.225 810 HD3 ARG 622 2HD ARG 622 -18.186 -7.033 -0.667 811 HH11 ARG 622 2HH2 ARG 622 -19.965 -3.886 -0.316 812 HH12 ARG 622 1HH2 ARG 622 -20.892 -3.253 1.011 813 HH21 ARG 622 2HH1 ARG 622 -20.905 -6.252 2.849 814 HH22 ARG 622 1HH1 ARG 622 -21.439 -4.616 2.826 815 H CYS 623 H CYS 623 -12.978 -5.666 0.391 816 HA CYS 623 HA CYS 623 -12.365 -7.118 2.757 817 HG CYS 623 HG CYS 623 -9.806 -7.830 3.040 818 HB2 CYS 623 1HB CYS 623 -11.545 -7.451 0.253 819 HB3 CYS 623 2HB CYS 623 -10.241 -6.337 0.739 820 H MET 624 H MET 624 -11.218 -3.873 1.577 821 HA MET 624 HA MET 624 -9.243 -3.698 3.677 822 HB2 MET 624 1HB MET 624 -10.448 -1.545 1.917 823 HB3 MET 624 2HB MET 624 -9.092 -1.323 3.029 824 HG2 MET 624 1HG MET 624 -7.911 -3.239 1.771 825 HG3 MET 624 2HG MET 624 -9.163 -3.020 0.543 826 HE1 MET 624 3HE MET 624 -5.761 -1.614 1.941 827 HE2 MET 624 1HE MET 624 -5.777 0.059 1.312 828 HE3 MET 624 2HE MET 624 -6.872 -0.403 2.638 829 H ARG 625 H ARG 625 -12.717 -3.119 3.705 830 HA ARG 625 HA ARG 625 -12.716 -1.631 6.202 831 HE ARG 625 HE ARG 625 -17.482 0.394 3.917 832 HB2 ARG 625 1HB ARG 625 -14.735 -3.421 4.807 833 HB3 ARG 625 2HB ARG 625 -15.051 -2.592 6.319 834 HG2 ARG 625 1HG ARG 625 -14.677 -0.406 5.252 835 HG3 ARG 625 2HG ARG 625 -14.174 -1.174 3.751 836 HD2 ARG 625 1HD ARG 625 -16.251 -1.267 3.017 837 HD3 ARG 625 2HD ARG 625 -16.725 -2.298 4.364 838 HH11 ARG 625 2HH2 ARG 625 -16.606 -1.656 6.690 839 HH12 ARG 625 1HH2 ARG 625 -17.765 -0.886 7.722 840 HH21 ARG 625 2HH1 ARG 625 -18.601 1.600 5.382 841 HH22 ARG 625 1HH1 ARG 625 -18.815 1.093 7.003 842 H SER 626 H SER 626 -11.905 -4.899 5.455 843 HA SER 626 HA SER 626 -12.185 -5.770 8.249 844 HG SER 626 HG SER 626 -13.272 -8.170 5.878 845 HB2 SER 626 1HB SER 626 -11.114 -7.283 5.841 846 HB3 SER 626 2HB SER 626 -11.548 -7.944 7.412 847 H LEU 627 H LEU 627 -9.966 -3.887 6.587 848 HA LEU 627 HA LEU 627 -7.598 -4.657 8.169 849 HG LEU 627 HG LEU 627 -6.356 -1.952 8.302 850 HB2 LEU 627 1HB LEU 627 -7.380 -3.525 5.890 851 HB3 LEU 627 2HB LEU 627 -8.218 -2.137 6.587 852 HD11 LEU 627 1HD1 LEU 627 -4.983 -3.837 6.344 853 HD12 LEU 627 2HD1 LEU 627 -4.157 -2.842 7.584 854 HD13 LEU 627 3HD1 LEU 627 -5.267 -4.113 8.062 855 HD21 LEU 627 3HD2 LEU 627 -5.746 -1.506 5.349 856 HD22 LEU 627 1HD2 LEU 627 -6.614 -0.404 6.443 857 HD23 LEU 627 2HD2 LEU 627 -4.915 -0.729 6.733 858 H LYS 628 H LYS 628 -7.227 -3.755 10.140 859 HA LYS 628 HA LYS 628 -9.286 -2.000 11.370 860 HB2 LYS 628 1HB LYS 628 -7.097 -3.688 12.665 861 HB3 LYS 628 2HB LYS 628 -8.418 -2.871 13.486 862 HG2 LYS 628 1HG LYS 628 -8.660 -5.249 11.571 863 HG3 LYS 628 2HG LYS 628 -8.851 -5.278 13.313 864 HD2 LYS 628 1HD LYS 628 -10.786 -3.578 12.959 865 HD3 LYS 628 2HD LYS 628 -10.650 -3.960 11.248 866 HE2 LYS 628 1HE LYS 628 -12.311 -5.419 11.873 867 HE3 LYS 628 2HE LYS 628 -10.893 -6.465 12.007 868 HZ1 LYS 628 3HZ LYS 628 -12.326 -6.666 13.928 869 HZ2 LYS 628 1HZ LYS 628 -10.921 -5.942 14.428 870 HZ3 LYS 628 2HZ LYS 628 -12.261 -5.049 14.209 871 H ALA 629 H ALA 629 -5.845 -2.127 10.518 872 HA ALA 629 HA ALA 629 -5.058 0.201 11.956 873 HB1 ALA 629 1HB ALA 629 -3.474 -1.497 11.049 874 HB2 ALA 629 2HB ALA 629 -3.943 -1.039 9.393 875 HB3 ALA 629 3HB ALA 629 -3.118 0.127 10.440 876 HA PRO 630 HA PRO 630 -6.735 3.301 9.047 877 HB2 PRO 630 1HB PRO 630 -4.218 4.830 9.394 878 HB3 PRO 630 2HB PRO 630 -5.884 5.319 9.808 879 HG2 PRO 630 1HG PRO 630 -3.968 4.705 11.699 880 HG3 PRO 630 2HG PRO 630 -5.712 4.411 11.950 881 HD2 PRO 630 1HD PRO 630 -3.587 2.406 11.167 882 HD3 PRO 630 2HD PRO 630 -4.984 2.250 12.264 883 H ALA 631 H ALA 631 -6.374 3.766 6.771 884 HA ALA 631 HA ALA 631 -3.650 3.418 5.702 885 HB1 ALA 631 1HB ALA 631 -4.738 1.222 5.322 886 HB2 ALA 631 2HB ALA 631 -6.097 2.029 4.507 887 HB3 ALA 631 3HB ALA 631 -4.472 2.079 3.794 888 H VAL 632 H VAL 632 -3.220 4.957 4.158 889 HA VAL 632 HA VAL 632 -5.489 6.278 2.807 890 HB VAL 632 HB VAL 632 -2.504 6.720 2.492 891 HG11 VAL 632 1HG1 VAL 632 -4.871 8.056 1.133 892 HG12 VAL 632 2HG1 VAL 632 -3.183 8.555 0.985 893 HG13 VAL 632 3HG1 VAL 632 -3.681 6.998 0.344 894 HG21 VAL 632 3HG2 VAL 632 -2.992 8.960 3.384 895 HG22 VAL 632 1HG2 VAL 632 -4.686 8.500 3.645 896 HG23 VAL 632 2HG2 VAL 632 -3.378 7.711 4.563 897 H VAL 633 H VAL 633 -6.184 5.407 0.931 898 HA VAL 633 HA VAL 633 -4.746 3.099 -0.265 899 HB VAL 633 HB VAL 633 -7.627 3.654 -0.889 900 HG11 VAL 633 1HG1 VAL 633 -5.897 1.149 -0.686 901 HG12 VAL 633 2HG1 VAL 633 -7.601 1.187 -1.188 902 HG13 VAL 633 3HG1 VAL 633 -6.387 1.992 -2.174 903 HG21 VAL 633 3HG2 VAL 633 -8.370 2.061 0.872 904 HG22 VAL 633 1HG2 VAL 633 -6.770 2.215 1.641 905 HG23 VAL 633 2HG2 VAL 633 -7.847 3.633 1.468 906 H SER 634 H SER 634 -4.706 3.452 -2.821 907 HA SER 634 HA SER 634 -5.864 6.007 -3.658 908 HG SER 634 HG SER 634 -3.043 7.420 -5.231 909 HB2 SER 634 1HB SER 634 -3.371 6.327 -3.069 910 HB3 SER 634 2HB SER 634 -3.063 5.325 -4.513 911 H VAL 635 H VAL 635 -6.252 6.205 -5.846 912 HA VAL 635 HA VAL 635 -6.164 3.759 -7.513 913 HB VAL 635 HB VAL 635 -8.516 4.370 -8.204 914 HG11 VAL 635 1HG1 VAL 635 -8.111 3.293 -5.374 915 HG12 VAL 635 2HG1 VAL 635 -9.583 3.103 -6.342 916 HG13 VAL 635 3HG1 VAL 635 -8.078 2.352 -6.880 917 HG21 VAL 635 3HG2 VAL 635 -8.572 5.834 -5.502 918 HG22 VAL 635 1HG2 VAL 635 -8.736 6.581 -7.108 919 HG23 VAL 635 2HG2 VAL 635 -9.957 5.445 -6.500 920 H SER 636 H SER 636 -6.962 4.305 -9.796 921 HA SER 636 HA SER 636 -4.945 5.865 -10.647 922 HG SER 636 HG SER 636 -5.472 3.118 -12.240 923 HB2 SER 636 1HB SER 636 -7.229 5.116 -12.482 924 HB3 SER 636 2HB SER 636 -5.494 5.134 -12.823 925 H SER 637 H SER 637 -8.153 7.114 -9.984 926 HA SER 637 HA SER 637 -7.425 9.724 -11.061 927 HG SER 637 HG SER 637 -9.938 7.783 -13.476 928 HB2 SER 637 1HB SER 637 -9.847 9.578 -12.206 929 HB3 SER 637 2HB SER 637 -8.337 9.226 -13.058 930 HA PRO 638 HA PRO 638 -9.928 10.980 -7.721 931 HB2 PRO 638 1HB PRO 638 -11.280 13.203 -8.716 932 HB3 PRO 638 2HB PRO 638 -9.611 13.184 -8.097 933 HG2 PRO 638 1HG PRO 638 -10.574 13.128 -10.949 934 HG3 PRO 638 2HG PRO 638 -9.100 13.900 -10.290 935 HD2 PRO 638 1HD PRO 638 -9.083 11.546 -11.649 936 HD3 PRO 638 2HD PRO 638 -7.881 11.940 -10.397 937 H ASP 639 H ASP 639 -11.591 10.616 -10.854 938 HA ASP 639 HA ASP 639 -14.240 10.252 -9.957 939 HB2 ASP 639 1HB ASP 639 -12.639 9.179 -12.292 940 HB3 ASP 639 2HB ASP 639 -14.364 8.868 -12.094 941 H ALA 640 H ALA 640 -11.484 8.047 -10.103 942 HA ALA 640 HA ALA 640 -13.018 5.647 -9.610 943 HB1 ALA 640 1HB ALA 640 -10.018 6.115 -9.310 944 HB2 ALA 640 2HB ALA 640 -10.855 4.572 -9.579 945 HB3 ALA 640 3HB ALA 640 -10.815 5.815 -10.857 946 H VAL 641 H VAL 641 -11.405 8.090 -7.673 947 HA VAL 641 HA VAL 641 -11.302 6.718 -5.160 948 HB VAL 641 HB VAL 641 -11.730 9.688 -5.731 949 HG11 VAL 641 1HG1 VAL 641 -12.294 9.274 -3.415 950 HG12 VAL 641 2HG1 VAL 641 -10.877 8.201 -3.224 951 HG13 VAL 641 3HG1 VAL 641 -10.669 9.946 -3.423 952 HG21 VAL 641 3HG2 VAL 641 -9.628 8.904 -6.699 953 HG22 VAL 641 1HG2 VAL 641 -9.314 9.909 -5.287 954 HG23 VAL 641 2HG2 VAL 641 -9.212 8.131 -5.177 955 H THR 642 H THR 642 -13.764 9.030 -6.465 956 HA THR 642 HA THR 642 -15.651 8.560 -4.460 957 HB THR 642 HB THR 642 -15.928 9.473 -7.349 958 HG1 THR 642 1HG THR 642 -15.705 10.839 -4.855 959 HG21 THR 642 3HG2 THR 642 -17.833 9.570 -4.999 960 HG22 THR 642 1HG2 THR 642 -17.955 10.697 -6.365 961 HG23 THR 642 2HG2 THR 642 -18.165 8.953 -6.618 962 H THR 643 H THR 643 -15.134 6.686 -7.514 963 HA THR 643 HA THR 643 -17.388 5.008 -7.177 964 HB THR 643 HB THR 643 -14.677 4.429 -8.425 965 HG1 THR 643 1HG THR 643 -16.555 6.167 -9.138 966 HG21 THR 643 3HG2 THR 643 -17.381 3.087 -8.762 967 HG22 THR 643 1HG2 THR 643 -16.038 2.867 -9.892 968 HG23 THR 643 2HG2 THR 643 -15.863 2.354 -8.203 969 H TYR 644 H TYR 644 -13.965 4.450 -5.938 970 HA TYR 644 HA TYR 644 -14.547 1.983 -4.673 971 HD1 TYR 644 1HD TYR 644 -12.433 3.853 -1.746 972 HD2 TYR 644 2HD TYR 644 -11.847 0.485 -4.315 973 HE1 TYR 644 1HE TYR 644 -11.431 2.581 0.156 974 HE2 TYR 644 2HE TYR 644 -10.628 -0.756 -2.448 975 HH TYR 644 HH TYR 644 -10.539 0.595 0.863 976 HB2 TYR 644 1HB TYR 644 -12.317 2.712 -5.237 977 HB3 TYR 644 2HB TYR 644 -12.449 4.101 -4.172 978 H ASN 645 H ASN 645 -14.688 5.381 -3.400 979 HA ASN 645 HA ASN 645 -15.411 4.547 -0.740 980 HB2 ASN 645 1HB ASN 645 -15.839 7.221 -2.113 981 HB3 ASN 645 2HB ASN 645 -16.076 6.873 -0.409 982 HD21 ASN 645 1HD2 ASN 645 -13.796 7.507 -2.832 983 HD22 ASN 645 2HD2 ASN 645 -12.372 7.453 -1.862 984 H GLY 646 H GLY 646 -17.113 5.103 -3.668 985 HA2 GLY 646 1HA GLY 646 -19.872 4.996 -2.938 986 HA3 GLY 646 2HA GLY 646 -19.158 4.240 -4.370 987 H TYR 647 H TYR 647 -17.782 2.199 -3.813 988 HA TYR 647 HA TYR 647 -19.464 0.187 -2.845 989 HD1 TYR 647 1HD TYR 647 -19.433 -0.190 -5.104 990 HD2 TYR 647 2HD TYR 647 -15.134 -0.251 -4.763 991 HE1 TYR 647 1HE TYR 647 -19.235 -0.026 -7.569 992 HE2 TYR 647 2HE TYR 647 -14.936 -0.175 -7.226 993 HH TYR 647 HH TYR 647 -16.097 -0.208 -9.286 994 HB2 TYR 647 1HB TYR 647 -16.443 0.089 -2.833 995 HB3 TYR 647 2HB TYR 647 -17.537 -1.283 -2.939 996 H LEU 648 H LEU 648 -16.979 2.004 -0.978 997 HA LEU 648 HA LEU 648 -16.971 0.542 1.408 998 HG LEU 648 HG LEU 648 -14.399 3.241 1.273 999 HB2 LEU 648 1HB LEU 648 -16.505 3.365 0.562 1000 HB3 LEU 648 2HB LEU 648 -16.827 3.168 2.234 1001 HD11 LEU 648 1HD1 LEU 648 -15.242 1.369 3.498 1002 HD12 LEU 648 2HD1 LEU 648 -13.572 1.905 3.222 1003 HD13 LEU 648 3HD1 LEU 648 -14.830 3.086 3.618 1004 HD21 LEU 648 3HD2 LEU 648 -14.522 1.339 -0.244 1005 HD22 LEU 648 1HD2 LEU 648 -13.301 1.084 1.004 1006 HD23 LEU 648 2HD2 LEU 648 -14.839 0.240 1.133 1007 H THR 649 H THR 649 -19.612 2.627 0.201 1008 HA THR 649 HA THR 649 -20.917 2.395 2.863 1009 HB THR 649 HB THR 649 -22.209 4.326 2.343 1010 HG1 THR 649 1HG THR 649 -22.676 4.388 0.251 1011 HG21 THR 649 3HG2 THR 649 -19.394 4.796 1.329 1012 HG22 THR 649 1HG2 THR 649 -20.464 6.004 2.069 1013 HG23 THR 649 2HG2 THR 649 -19.820 4.654 3.045 1014 H SER 650 H SER 650 -21.504 2.350 -0.555 1015 HA SER 650 HA SER 650 -22.345 0.083 -1.287 1016 HG SER 650 HG SER 650 -23.780 -0.062 1.161 1017 HB2 SER 650 1HB SER 650 -24.825 1.489 -0.160 1018 HB3 SER 650 2HB SER 650 -24.944 0.246 -1.401 1019 H SER 651 H SER 651 -22.165 0.465 -3.468 1020 HA SER 651 HA SER 651 -22.586 3.134 -4.611 1021 HG SER 651 HG SER 651 -21.772 3.069 -6.872 1022 HB2 SER 651 1HB SER 651 -20.770 1.541 -5.343 1023 HB3 SER 651 2HB SER 651 -22.021 0.403 -5.878 Start of MODEL 9 1 H1 GLY -4 H GLY -4 -1.550 18.843 7.704 2 HA2 GLY -4 1HA GLY -4 -2.798 17.390 9.241 3 HA3 GLY -4 2HA GLY -4 -3.754 18.815 9.688 4 H SER -3 H SER -3 -3.910 16.048 7.892 5 HA SER -3 HA SER -3 -5.956 17.159 6.075 6 HG SER -3 HG SER -3 -4.619 15.569 3.187 7 HB2 SER -3 1HB SER -3 -3.817 16.852 4.827 8 HB3 SER -3 2HB SER -3 -3.811 15.144 5.299 9 H HIS -2 H HIS -2 -7.167 15.143 5.131 10 HA HIS -2 HA HIS -2 -8.271 13.541 7.295 11 HD1 HIS -2 1HD HIS -2 -10.368 14.971 3.265 12 HD2 HIS -2 2HD HIS -2 -10.575 14.482 7.480 13 HE1 HIS -2 1HE HIS -2 -12.117 16.644 4.137 14 HE2 HIS -2 2HE HIS -2 -12.223 16.361 6.683 15 HB2 HIS -2 1HB HIS -2 -8.582 13.316 4.269 16 HB3 HIS -2 2HB HIS -2 -9.527 12.403 5.434 17 H MET -1 H MET -1 -8.495 10.993 6.713 18 HA MET -1 HA MET -1 -6.163 9.930 5.393 19 HB2 MET -1 1HB MET -1 -5.741 9.957 7.907 20 HB3 MET -1 2HB MET -1 -7.157 8.905 8.098 21 HG2 MET -1 1HG MET -1 -6.133 7.130 7.018 22 HG3 MET -1 2HG MET -1 -5.006 8.162 6.135 23 HE1 MET -1 3HE MET -1 -3.558 6.075 6.729 24 HE2 MET -1 1HE MET -1 -2.417 7.430 6.729 25 HE3 MET -1 2HE MET -1 -2.360 6.209 8.015 26 H GLY 527 H GLY 527 -6.922 8.157 4.105 27 HA2 GLY 527 1HA GLY 527 -8.975 6.478 4.101 28 HA3 GLY 527 2HA GLY 527 -9.831 8.013 3.873 29 H THR 528 H THR 528 -10.412 6.956 1.755 30 HA THR 528 HA THR 528 -8.470 6.240 -0.130 31 HB THR 528 HB THR 528 -11.310 7.131 -0.724 32 HG1 THR 528 1HG THR 528 -12.076 5.569 0.300 33 HG21 THR 528 3HG2 THR 528 -9.868 6.399 -2.642 34 HG22 THR 528 1HG2 THR 528 -9.647 4.832 -1.839 35 HG23 THR 528 2HG2 THR 528 -11.260 5.358 -2.373 36 H VAL 529 H VAL 529 -7.545 7.305 -1.879 37 HA VAL 529 HA VAL 529 -8.219 10.063 -2.561 38 HB VAL 529 HB VAL 529 -5.896 10.807 -2.349 39 HG11 VAL 529 1HG1 VAL 529 -7.439 11.087 -0.382 40 HG12 VAL 529 2HG1 VAL 529 -6.736 9.633 0.313 41 HG13 VAL 529 3HG1 VAL 529 -5.702 11.041 0.045 42 HG21 VAL 529 3HG2 VAL 529 -5.329 8.052 -1.206 43 HG22 VAL 529 1HG2 VAL 529 -4.638 8.769 -2.667 44 HG23 VAL 529 2HG2 VAL 529 -4.234 9.446 -1.080 45 H SER 530 H SER 530 -6.575 10.679 -4.430 46 HA SER 530 HA SER 530 -6.509 8.400 -6.363 47 HG SER 530 HG SER 530 -7.490 11.702 -5.666 48 HB2 SER 530 1HB SER 530 -6.948 10.224 -8.063 49 HB3 SER 530 2HB SER 530 -8.242 9.840 -6.937 50 H TRP 531 H TRP 531 -4.221 9.103 -4.571 51 HA TRP 531 HA TRP 531 -2.367 10.722 -6.130 52 HD1 TRP 531 HD TRP 531 -3.635 12.199 -4.466 53 HE1 TRP 531 1HE TRP 531 -4.218 13.332 -2.248 54 HE3 TRP 531 3HE TRP 531 -0.654 9.432 -1.362 55 HZ2 TRP 531 2HZ TRP 531 -3.547 12.988 0.574 56 HZ3 TRP 531 3HZ TRP 531 -0.589 9.907 1.048 57 HH2 TRP 531 HH TRP 531 -2.075 11.662 2.034 58 HB2 TRP 531 1HB TRP 531 -1.742 8.957 -3.771 59 HB3 TRP 531 2HB TRP 531 -0.785 10.245 -4.408 60 H ASN 532 H ASN 532 -0.074 9.708 -6.294 61 HA ASN 532 HA ASN 532 -0.104 7.067 -7.620 62 HB2 ASN 532 1HB ASN 532 1.405 8.002 -9.362 63 HB3 ASN 532 2HB ASN 532 -0.179 8.741 -9.421 64 HD21 ASN 532 1HD2 ASN 532 -0.424 11.013 -8.822 65 HD22 ASN 532 2HD2 ASN 532 0.987 12.018 -8.575 66 H LEU 533 H LEU 533 2.390 6.597 -8.042 67 HA LEU 533 HA LEU 533 3.372 6.032 -5.511 68 HG LEU 533 HG LEU 533 5.941 3.975 -7.323 69 HB2 LEU 533 1HB LEU 533 3.842 4.908 -7.765 70 HB3 LEU 533 2HB LEU 533 5.068 6.134 -8.039 71 HD11 LEU 533 1HD1 LEU 533 7.207 6.083 -6.765 72 HD12 LEU 533 2HD1 LEU 533 6.591 5.921 -5.105 73 HD13 LEU 533 3HD1 LEU 533 7.598 4.654 -5.789 74 HD21 LEU 533 3HD2 LEU 533 4.118 3.246 -5.846 75 HD22 LEU 533 1HD2 LEU 533 5.703 3.099 -5.076 76 HD23 LEU 533 2HD2 LEU 533 4.628 4.431 -4.624 77 H ARG 534 H ARG 534 4.210 8.839 -7.623 78 HA ARG 534 HA ARG 534 6.502 9.676 -6.035 79 HE ARG 534 HE ARG 534 8.210 9.748 -10.511 80 HB2 ARG 534 1HB ARG 534 4.488 11.490 -7.500 81 HB3 ARG 534 2HB ARG 534 6.073 11.964 -6.935 82 HG2 ARG 534 1HG ARG 534 5.578 9.909 -9.129 83 HG3 ARG 534 2HG ARG 534 5.835 11.639 -9.362 84 HD2 ARG 534 1HD ARG 534 8.044 11.384 -8.099 85 HD3 ARG 534 2HD ARG 534 7.808 9.637 -8.256 86 HH11 ARG 534 2HH2 ARG 534 8.160 13.111 -9.212 87 HH12 ARG 534 1HH2 ARG 534 8.554 13.796 -10.758 88 HH21 ARG 534 2HH1 ARG 534 8.626 10.747 -12.508 89 HH22 ARG 534 1HH1 ARG 534 8.958 12.463 -12.583 90 H GLU 535 H GLU 535 3.052 10.646 -5.950 91 HA GLU 535 HA GLU 535 3.287 12.597 -3.921 92 HB2 GLU 535 1HB GLU 535 1.130 10.954 -5.232 93 HB3 GLU 535 2HB GLU 535 0.728 11.798 -3.743 94 HG2 GLU 535 1HG GLU 535 2.148 13.597 -5.576 95 HG3 GLU 535 2HG GLU 535 0.765 12.840 -6.380 96 H MET 536 H MET 536 2.376 9.167 -3.844 97 HA MET 536 HA MET 536 1.982 8.949 -1.030 98 HB2 MET 536 1HB MET 536 2.803 6.932 -3.158 99 HB3 MET 536 2HB MET 536 2.349 6.495 -1.503 100 HG2 MET 536 1HG MET 536 0.136 7.263 -1.765 101 HG3 MET 536 2HG MET 536 0.494 8.154 -3.233 102 HE1 MET 536 3HE MET 536 -0.904 5.049 -1.715 103 HE2 MET 536 1HE MET 536 -0.282 3.728 -2.733 104 HE3 MET 536 2HE MET 536 0.829 4.634 -1.681 105 H LEU 537 H LEU 537 4.948 8.557 -3.048 106 HA LEU 537 HA LEU 537 6.540 7.487 -0.948 107 HG LEU 537 HG LEU 537 9.248 8.575 -1.566 108 HB2 LEU 537 1HB LEU 537 7.068 7.580 -3.492 109 HB3 LEU 537 2HB LEU 537 7.583 9.217 -3.252 110 HD11 LEU 537 1HD1 LEU 537 8.431 6.551 -0.624 111 HD12 LEU 537 2HD1 LEU 537 8.240 5.763 -2.192 112 HD13 LEU 537 3HD1 LEU 537 9.865 6.096 -1.489 113 HD21 LEU 537 3HD2 LEU 537 9.315 7.313 -4.342 114 HD22 LEU 537 1HD2 LEU 537 9.758 8.958 -3.876 115 HD23 LEU 537 2HD2 LEU 537 10.754 7.617 -3.297 116 H ALA 538 H ALA 538 6.376 10.693 -2.364 117 HA ALA 538 HA ALA 538 7.900 12.194 -0.555 118 HB1 ALA 538 1HB ALA 538 6.487 14.129 -1.261 119 HB2 ALA 538 2HB ALA 538 6.960 13.130 -2.647 120 HB3 ALA 538 3HB ALA 538 5.314 13.018 -1.980 121 H HIS 539 H HIS 539 4.416 11.371 -0.321 122 HA HIS 539 HA HIS 539 3.955 12.601 2.132 123 HD1 HIS 539 1HD HIS 539 1.535 13.520 2.293 124 HD2 HIS 539 2HD HIS 539 1.045 9.394 3.151 125 HE1 HIS 539 1HE HIS 539 -0.392 13.362 4.004 126 HE2 HIS 539 2HE HIS 539 -0.777 10.936 4.504 127 HB2 HIS 539 1HB HIS 539 2.303 11.502 0.518 128 HB3 HIS 539 2HB HIS 539 2.683 9.965 1.283 129 H ALA 540 H ALA 540 5.049 9.165 1.725 130 HA ALA 540 HA ALA 540 5.308 8.783 4.619 131 HB1 ALA 540 1HB ALA 540 6.489 6.679 3.931 132 HB2 ALA 540 2HB ALA 540 4.865 6.853 3.274 133 HB3 ALA 540 3HB ALA 540 6.293 7.158 2.237 134 H GLU 541 H GLU 541 7.569 10.014 2.135 135 HA GLU 541 HA GLU 541 9.947 9.841 3.765 136 HB2 GLU 541 1HB GLU 541 9.026 11.308 1.269 137 HB3 GLU 541 2HB GLU 541 10.323 12.032 2.182 138 HG2 GLU 541 1HG GLU 541 11.488 9.731 2.083 139 HG3 GLU 541 2HG GLU 541 10.285 9.327 0.838 140 H GLU 542 H GLU 542 7.546 12.367 3.093 141 HA GLU 542 HA GLU 542 8.564 14.328 4.864 142 HB2 GLU 542 1HB GLU 542 7.243 14.544 2.771 143 HB3 GLU 542 2HB GLU 542 5.791 14.036 3.609 144 HG2 GLU 542 1HG GLU 542 5.770 15.999 4.966 145 HG3 GLU 542 2HG GLU 542 7.443 16.397 4.537 146 H THR 543 H THR 543 6.790 11.584 5.509 147 HA THR 543 HA THR 543 6.057 12.603 8.195 148 HB THR 543 HB THR 543 4.176 11.047 8.354 149 HG1 THR 543 1HG THR 543 4.535 10.685 5.578 150 HG21 THR 543 3HG2 THR 543 3.880 12.908 5.959 151 HG22 THR 543 1HG2 THR 543 2.556 12.196 6.922 152 HG23 THR 543 2HG2 THR 543 3.690 13.333 7.671 153 H ARG 544 H ARG 544 5.417 9.514 8.517 154 HA ARG 544 HA ARG 544 8.058 8.372 8.367 155 HE ARG 544 HE ARG 544 10.107 10.211 12.413 156 HB2 ARG 544 1HB ARG 544 6.482 8.159 10.961 157 HB3 ARG 544 2HB ARG 544 8.094 7.533 10.641 158 HG2 ARG 544 1HG ARG 544 7.295 10.455 10.940 159 HG3 ARG 544 2HG ARG 544 8.147 9.464 12.118 160 HD2 ARG 544 1HD ARG 544 9.654 9.379 9.668 161 HD3 ARG 544 2HD ARG 544 9.203 11.065 9.970 162 HH11 ARG 544 2HH2 ARG 544 11.543 10.423 9.156 163 HH12 ARG 544 1HH2 ARG 544 13.158 10.617 9.771 164 HH21 ARG 544 2HH1 ARG 544 12.173 10.454 13.167 165 HH22 ARG 544 1HH1 ARG 544 13.539 10.513 12.060 166 H LYS 545 H LYS 545 5.139 8.253 7.253 167 HA LYS 545 HA LYS 545 3.914 6.023 8.560 168 HB2 LYS 545 1HB LYS 545 3.146 7.579 6.048 169 HB3 LYS 545 2HB LYS 545 2.160 6.287 6.733 170 HG2 LYS 545 1HG LYS 545 2.093 7.388 8.911 171 HG3 LYS 545 2HG LYS 545 3.134 8.691 8.347 172 HD2 LYS 545 1HD LYS 545 1.338 9.506 6.865 173 HD3 LYS 545 2HD LYS 545 0.279 8.179 7.447 174 HE2 LYS 545 1HE LYS 545 0.718 8.919 9.807 175 HE3 LYS 545 2HE LYS 545 1.709 10.244 9.210 176 HZ1 LYS 545 3HZ LYS 545 -0.446 10.897 9.880 177 HZ2 LYS 545 1HZ LYS 545 -0.260 11.269 8.291 178 HZ3 LYS 545 2HZ LYS 545 -1.216 9.991 8.791 179 H LEU 546 H LEU 546 3.172 4.080 7.598 180 HA LEU 546 HA LEU 546 5.539 2.753 6.495 181 HG LEU 546 HG LEU 546 3.874 -0.011 6.213 182 HB2 LEU 546 1HB LEU 546 4.485 1.897 8.524 183 HB3 LEU 546 2HB LEU 546 2.937 1.753 7.702 184 HD11 LEU 546 1HD1 LEU 546 6.403 0.412 7.877 185 HD12 LEU 546 2HD1 LEU 546 6.113 -1.004 6.866 186 HD13 LEU 546 3HD1 LEU 546 6.229 0.574 6.118 187 HD21 LEU 546 3HD2 LEU 546 4.299 -0.532 9.190 188 HD22 LEU 546 1HD2 LEU 546 2.755 -0.620 8.337 189 HD23 LEU 546 2HD2 LEU 546 4.047 -1.764 7.936 190 H MET 547 H MET 547 5.702 2.023 4.469 191 HA MET 547 HA MET 547 3.346 2.264 2.652 192 HB2 MET 547 1HB MET 547 5.233 3.942 2.535 193 HB3 MET 547 2HB MET 547 6.322 2.631 2.075 194 HG2 MET 547 1HG MET 547 4.802 2.169 0.130 195 HG3 MET 547 2HG MET 547 3.854 3.594 0.590 196 HE1 MET 547 3HE MET 547 5.447 5.318 -2.439 197 HE2 MET 547 1HE MET 547 4.181 4.140 -1.997 198 HE3 MET 547 2HE MET 547 4.296 5.688 -1.153 199 HA PRO 548 HA PRO 548 4.626 -2.134 2.342 200 HB2 PRO 548 1HB PRO 548 2.170 -3.277 1.766 201 HB3 PRO 548 2HB PRO 548 2.761 -2.960 3.411 202 HG2 PRO 548 1HG PRO 548 0.959 -1.261 1.704 203 HG3 PRO 548 2HG PRO 548 0.748 -1.709 3.433 204 HD2 PRO 548 1HD PRO 548 1.765 0.720 2.686 205 HD3 PRO 548 2HD PRO 548 2.403 -0.147 4.110 206 H ILE 549 H ILE 549 4.901 -3.547 0.488 207 HA ILE 549 HA ILE 549 4.065 -2.500 -2.170 208 HB ILE 549 HB ILE 549 6.945 -3.013 -1.204 209 HG12 ILE 549 1HG1 ILE 549 6.938 -0.601 -2.498 210 HG13 ILE 549 2HG1 ILE 549 5.295 -0.621 -1.884 211 HG21 ILE 549 1HG2 ILE 549 6.668 -4.047 -3.449 212 HG22 ILE 549 2HG2 ILE 549 6.045 -2.496 -4.065 213 HG23 ILE 549 3HG2 ILE 549 7.708 -2.663 -3.408 214 HD11 ILE 549 3HD1 ILE 549 6.555 -1.343 0.359 215 HD12 ILE 549 1HD1 ILE 549 7.941 -0.645 -0.490 216 HD13 ILE 549 2HD1 ILE 549 6.461 0.341 -0.218 217 H CYS 550 H CYS 550 3.606 -4.061 -3.639 218 HA CYS 550 HA CYS 550 3.875 -6.852 -2.789 219 HG CYS 550 HG CYS 550 2.127 -8.098 -3.016 220 HB2 CYS 550 1HB CYS 550 1.834 -5.661 -4.031 221 HB3 CYS 550 2HB CYS 550 2.776 -5.996 -5.482 222 H MET 551 H MET 551 5.699 -7.910 -3.232 223 HA MET 551 HA MET 551 7.708 -7.228 -5.105 224 HB2 MET 551 1HB MET 551 7.011 -9.851 -3.706 225 HB3 MET 551 2HB MET 551 8.464 -9.608 -4.694 226 HG2 MET 551 1HG MET 551 8.611 -7.445 -3.116 227 HG3 MET 551 2HG MET 551 7.808 -8.553 -1.998 228 HE1 MET 551 3HE MET 551 9.614 -8.749 -0.262 229 HE2 MET 551 1HE MET 551 11.338 -9.070 -0.578 230 HE3 MET 551 2HE MET 551 10.604 -7.532 -1.080 231 H ASP 552 H ASP 552 4.741 -8.319 -5.849 232 HA ASP 552 HA ASP 552 5.408 -9.968 -8.236 233 HB2 ASP 552 1HB ASP 552 3.344 -10.462 -7.221 234 HB3 ASP 552 2HB ASP 552 2.867 -8.758 -7.165 235 H VAL 553 H VAL 553 4.846 -6.511 -7.468 236 HA VAL 553 HA VAL 553 4.366 -5.982 -10.324 237 HB VAL 553 HB VAL 553 4.037 -4.106 -7.962 238 HG11 VAL 553 1HG1 VAL 553 2.864 -4.059 -10.782 239 HG12 VAL 553 2HG1 VAL 553 2.658 -2.822 -9.530 240 HG13 VAL 553 3HG1 VAL 553 4.249 -3.076 -10.276 241 HG21 VAL 553 3HG2 VAL 553 2.486 -6.049 -7.730 242 HG22 VAL 553 1HG2 VAL 553 1.604 -4.609 -8.220 243 HG23 VAL 553 2HG2 VAL 553 1.981 -5.864 -9.416 244 H ARG 554 H ARG 554 6.382 -6.612 -10.832 245 HA ARG 554 HA ARG 554 8.822 -5.699 -10.084 246 HE ARG 554 HE ARG 554 6.543 -6.809 -15.410 247 HB2 ARG 554 1HB ARG 554 9.700 -6.339 -12.238 248 HB3 ARG 554 2HB ARG 554 8.545 -7.492 -11.581 249 HG2 ARG 554 1HG ARG 554 6.852 -5.972 -13.128 250 HG3 ARG 554 2HG ARG 554 8.364 -5.771 -14.026 251 HD2 ARG 554 1HD ARG 554 8.610 -8.246 -14.068 252 HD3 ARG 554 2HD ARG 554 7.101 -8.388 -13.143 253 HH11 ARG 554 2HH2 ARG 554 7.020 -10.217 -14.562 254 HH12 ARG 554 1HH2 ARG 554 6.450 -10.839 -16.036 255 HH21 ARG 554 2HH1 ARG 554 5.444 -7.642 -17.283 256 HH22 ARG 554 1HH1 ARG 554 5.588 -9.308 -17.663 257 H ALA 555 H ALA 555 6.550 -3.838 -12.111 258 HA ALA 555 HA ALA 555 8.494 -1.932 -13.031 259 HB1 ALA 555 1HB ALA 555 6.553 -0.612 -13.682 260 HB2 ALA 555 2HB ALA 555 6.308 -2.321 -14.113 261 HB3 ALA 555 3HB ALA 555 5.476 -1.625 -12.699 262 H ILE 556 H ILE 556 6.483 -2.146 -10.088 263 HA ILE 556 HA ILE 556 7.144 0.578 -9.200 264 HB ILE 556 HB ILE 556 5.906 -1.723 -7.643 265 HG12 ILE 556 1HG1 ILE 556 4.589 0.658 -9.045 266 HG13 ILE 556 2HG1 ILE 556 4.487 -1.004 -9.584 267 HG21 ILE 556 1HG2 ILE 556 5.387 -0.160 -5.955 268 HG22 ILE 556 2HG2 ILE 556 7.012 0.351 -6.409 269 HG23 ILE 556 3HG2 ILE 556 5.638 1.246 -7.019 270 HD11 ILE 556 3HD1 ILE 556 3.320 -1.607 -7.438 271 HD12 ILE 556 1HD1 ILE 556 3.286 0.124 -7.025 272 HD13 ILE 556 2HD1 ILE 556 2.436 -0.454 -8.463 273 H MET 557 H MET 557 8.225 -2.815 -8.620 274 HA MET 557 HA MET 557 10.104 -2.259 -6.597 275 HB2 MET 557 1HB MET 557 10.151 -4.368 -8.788 276 HB3 MET 557 2HB MET 557 11.224 -4.357 -7.396 277 HG2 MET 557 1HG MET 557 8.440 -3.987 -6.534 278 HG3 MET 557 2HG MET 557 8.571 -5.400 -7.543 279 HE1 MET 557 3HE MET 557 11.303 -3.850 -5.011 280 HE2 MET 557 1HE MET 557 9.668 -3.531 -4.380 281 HE3 MET 557 2HE MET 557 10.742 -4.666 -3.536 282 H ALA 558 H ALA 558 10.707 -2.214 -10.145 283 HA ALA 558 HA ALA 558 13.371 -1.282 -9.975 284 HB1 ALA 558 1HB ALA 558 12.899 -0.374 -12.300 285 HB2 ALA 558 2HB ALA 558 12.552 -2.087 -12.051 286 HB3 ALA 558 3HB ALA 558 11.217 -0.916 -12.085 287 H THR 559 H THR 559 10.303 0.656 -9.874 288 HA THR 559 HA THR 559 11.587 3.235 -9.940 289 HB THR 559 HB THR 559 8.921 2.087 -9.039 290 HG1 THR 559 1HG THR 559 9.084 4.124 -10.901 291 HG21 THR 559 3HG2 THR 559 9.096 3.823 -7.451 292 HG22 THR 559 1HG2 THR 559 9.670 4.987 -8.677 293 HG23 THR 559 2HG2 THR 559 8.004 4.363 -8.729 294 H ILE 560 H ILE 560 10.809 1.029 -7.226 295 HA ILE 560 HA ILE 560 11.636 3.056 -5.293 296 HB ILE 560 HB ILE 560 11.151 0.066 -4.997 297 HG12 ILE 560 1HG1 ILE 560 9.453 2.579 -4.868 298 HG13 ILE 560 2HG1 ILE 560 9.152 1.086 -5.665 299 HG21 ILE 560 1HG2 ILE 560 12.648 0.994 -3.182 300 HG22 ILE 560 2HG2 ILE 560 11.400 2.202 -2.808 301 HG23 ILE 560 3HG2 ILE 560 11.086 0.473 -2.574 302 HD11 ILE 560 3HD1 ILE 560 8.860 1.669 -2.734 303 HD12 ILE 560 1HD1 ILE 560 7.629 1.208 -3.932 304 HD13 ILE 560 2HD1 ILE 560 8.867 0.017 -3.412 305 H GLN 561 H GLN 561 13.167 0.069 -6.690 306 HA GLN 561 HA GLN 561 15.589 0.464 -5.296 307 HB2 GLN 561 1HB GLN 561 14.926 -1.059 -7.840 308 HB3 GLN 561 2HB GLN 561 16.567 -0.946 -7.197 309 HG2 GLN 561 1HG GLN 561 15.519 -1.674 -4.913 310 HG3 GLN 561 2HG GLN 561 14.156 -2.236 -5.862 311 HE21 GLN 561 1HE2 GLN 561 14.477 -4.321 -7.005 312 HE22 GLN 561 2HE2 GLN 561 15.981 -5.192 -6.740 313 H ARG 562 H ARG 562 14.552 1.994 -8.375 314 HA ARG 562 HA ARG 562 17.106 2.985 -9.026 315 HE ARG 562 HE ARG 562 13.861 7.573 -11.439 316 HB2 ARG 562 1HB ARG 562 16.116 4.203 -10.637 317 HB3 ARG 562 2HB ARG 562 14.730 3.180 -10.232 318 HG2 ARG 562 1HG ARG 562 13.953 5.032 -8.673 319 HG3 ARG 562 2HG ARG 562 15.255 6.005 -9.352 320 HD2 ARG 562 1HD ARG 562 14.243 5.373 -11.624 321 HD3 ARG 562 2HD ARG 562 12.761 5.049 -10.703 322 HH11 ARG 562 2HH2 ARG 562 12.198 6.134 -8.629 323 HH12 ARG 562 1HH2 ARG 562 11.776 7.678 -7.967 324 HH21 ARG 562 2HH1 ARG 562 13.356 9.581 -10.485 325 HH22 ARG 562 1HH1 ARG 562 12.202 9.605 -9.185 326 H LYS 563 H LYS 563 14.812 4.201 -6.680 327 HA LYS 563 HA LYS 563 16.620 6.463 -6.011 328 HB2 LYS 563 1HB LYS 563 13.955 6.466 -6.360 329 HB3 LYS 563 2HB LYS 563 13.952 5.928 -4.693 330 HG2 LYS 563 1HG LYS 563 15.736 8.174 -4.877 331 HG3 LYS 563 2HG LYS 563 14.318 8.576 -5.842 332 HD2 LYS 563 1HD LYS 563 13.013 7.685 -3.706 333 HD3 LYS 563 2HD LYS 563 14.506 8.092 -2.865 334 HE2 LYS 563 1HE LYS 563 12.845 10.006 -4.596 335 HE3 LYS 563 2HE LYS 563 12.640 9.819 -2.858 336 HZ1 LYS 563 3HZ LYS 563 14.856 10.665 -2.515 337 HZ2 LYS 563 1HZ LYS 563 15.133 10.792 -4.124 338 HZ3 LYS 563 2HZ LYS 563 13.986 11.711 -3.391 339 H TYR 564 H TYR 564 15.731 3.347 -4.753 340 HA TYR 564 HA TYR 564 17.447 3.802 -2.378 341 HD1 TYR 564 1HD TYR 564 15.850 4.913 -0.007 342 HD2 TYR 564 2HD TYR 564 13.161 3.775 -3.174 343 HE1 TYR 564 1HE TYR 564 14.389 6.901 0.496 344 HE2 TYR 564 2HE TYR 564 11.701 5.725 -2.621 345 HH TYR 564 HH TYR 564 12.525 8.252 -0.357 346 HB2 TYR 564 1HB TYR 564 14.827 2.242 -2.380 347 HB3 TYR 564 2HB TYR 564 15.852 2.591 -1.009 348 H LYS 565 H LYS 565 18.990 2.765 -4.214 349 HA LYS 565 HA LYS 565 18.416 0.013 -4.800 350 HB2 LYS 565 1HB LYS 565 19.556 1.769 -6.349 351 HB3 LYS 565 2HB LYS 565 20.900 1.780 -5.225 352 HG2 LYS 565 1HG LYS 565 21.563 0.330 -6.966 353 HG3 LYS 565 2HG LYS 565 21.131 -0.665 -5.602 354 HD2 LYS 565 1HD LYS 565 18.766 -0.848 -6.778 355 HD3 LYS 565 2HD LYS 565 19.600 -0.171 -8.174 356 HE2 LYS 565 1HE LYS 565 19.669 -2.473 -8.551 357 HE3 LYS 565 2HE LYS 565 21.284 -2.123 -7.922 358 HZ1 LYS 565 3HZ LYS 565 18.996 -3.169 -6.336 359 HZ2 LYS 565 1HZ LYS 565 20.191 -4.100 -6.913 360 HZ3 LYS 565 2HZ LYS 565 20.519 -2.963 -5.759 361 H GLY 566 H GLY 566 20.369 1.752 -2.445 362 HA2 GLY 566 1HA GLY 566 22.343 -0.184 -1.938 363 HA3 GLY 566 2HA GLY 566 21.780 1.048 -0.788 364 H ILE 567 H ILE 567 19.031 -0.019 -0.786 365 HA ILE 567 HA ILE 567 19.232 -2.018 1.297 366 HB ILE 567 HB ILE 567 17.645 -0.372 1.507 367 HG12 ILE 567 1HG1 ILE 567 16.949 -2.872 1.851 368 HG13 ILE 567 2HG1 ILE 567 15.911 -1.484 2.106 369 HG21 ILE 567 1HG2 ILE 567 17.296 0.613 -0.646 370 HG22 ILE 567 2HG2 ILE 567 16.589 -0.881 -1.295 371 HG23 ILE 567 3HG2 ILE 567 15.723 0.039 -0.075 372 HD11 ILE 567 3HD1 ILE 567 15.904 -2.946 -0.561 373 HD12 ILE 567 1HD1 ILE 567 14.844 -3.435 0.795 374 HD13 ILE 567 2HD1 ILE 567 14.689 -1.835 0.074 375 H LYS 568 H LYS 568 18.586 -4.152 1.131 376 HA LYS 568 HA LYS 568 18.577 -5.403 -1.582 377 HB2 LYS 568 1HB LYS 568 18.760 -7.550 -0.322 378 HB3 LYS 568 2HB LYS 568 20.197 -6.549 -0.271 379 HG2 LYS 568 1HG LYS 568 18.274 -6.277 2.012 380 HG3 LYS 568 2HG LYS 568 19.145 -7.789 1.895 381 HD2 LYS 568 1HD LYS 568 21.196 -6.846 2.344 382 HD3 LYS 568 2HD LYS 568 20.754 -5.233 1.744 383 HE2 LYS 568 1HE LYS 568 19.551 -4.651 3.643 384 HE3 LYS 568 2HE LYS 568 19.248 -6.347 4.100 385 HZ1 LYS 568 3HZ LYS 568 20.806 -5.362 5.598 386 HZ2 LYS 568 1HZ LYS 568 21.585 -6.537 4.732 387 HZ3 LYS 568 2HZ LYS 568 21.831 -4.963 4.390 388 H ILE 569 H ILE 569 16.510 -6.215 -2.287 389 HA ILE 569 HA ILE 569 14.212 -5.354 -0.707 390 HB ILE 569 HB ILE 569 14.596 -6.952 -3.276 391 HG12 ILE 569 1HG1 ILE 569 15.262 -4.648 -3.564 392 HG13 ILE 569 2HG1 ILE 569 13.708 -4.881 -4.342 393 HG21 ILE 569 1HG2 ILE 569 12.178 -6.590 -3.696 394 HG22 ILE 569 2HG2 ILE 569 12.527 -7.690 -2.375 395 HG23 ILE 569 3HG2 ILE 569 11.997 -6.023 -2.013 396 HD11 ILE 569 3HD1 ILE 569 14.084 -3.531 -1.652 397 HD12 ILE 569 1HD1 ILE 569 13.784 -2.729 -3.196 398 HD13 ILE 569 2HD1 ILE 569 12.553 -3.786 -2.484 399 H GLN 570 H GLN 570 13.106 -6.421 0.757 400 HA GLN 570 HA GLN 570 13.752 -9.206 1.515 401 HB2 GLN 570 1HB GLN 570 13.774 -6.685 3.173 402 HB3 GLN 570 2HB GLN 570 13.660 -8.268 3.897 403 HG2 GLN 570 1HG GLN 570 15.827 -8.771 3.594 404 HG3 GLN 570 2HG GLN 570 15.944 -7.943 2.051 405 HE21 GLN 570 1HE2 GLN 570 15.531 -5.380 2.504 406 HE22 GLN 570 2HE2 GLN 570 16.390 -4.613 3.793 407 H GLU 571 H GLU 571 11.949 -10.271 2.154 408 HA GLU 571 HA GLU 571 9.377 -8.980 1.903 409 HB2 GLU 571 1HB GLU 571 10.563 -11.729 2.223 410 HB3 GLU 571 2HB GLU 571 8.964 -11.470 2.827 411 HG2 GLU 571 1HG GLU 571 8.144 -10.801 0.625 412 HG3 GLU 571 2HG GLU 571 9.781 -11.007 -0.027 413 H GLY 572 H GLY 572 9.609 -7.402 3.654 414 HA2 GLY 572 1HA GLY 572 8.535 -8.031 6.143 415 HA3 GLY 572 2HA GLY 572 10.296 -8.126 6.331 416 H ILE 573 H ILE 573 9.650 -6.309 7.856 417 HA ILE 573 HA ILE 573 9.109 -3.667 6.758 418 HB ILE 573 HB ILE 573 10.149 -4.606 9.454 419 HG12 ILE 573 1HG1 ILE 573 7.760 -5.068 8.887 420 HG13 ILE 573 2HG1 ILE 573 8.016 -4.104 10.327 421 HG21 ILE 573 1HG2 ILE 573 11.097 -2.393 9.165 422 HG22 ILE 573 2HG2 ILE 573 9.554 -1.740 8.595 423 HG23 ILE 573 3HG2 ILE 573 9.738 -2.276 10.280 424 HD11 ILE 573 3HD1 ILE 573 7.243 -2.877 7.660 425 HD12 ILE 573 1HD1 ILE 573 6.088 -3.343 8.923 426 HD13 ILE 573 2HD1 ILE 573 7.286 -2.079 9.240 427 H VAL 574 H VAL 574 10.481 -2.399 5.832 428 HA VAL 574 HA VAL 574 13.429 -2.829 6.121 429 HB VAL 574 HB VAL 574 11.853 -2.300 3.596 430 HG11 VAL 574 1HG1 VAL 574 14.868 -2.647 3.815 431 HG12 VAL 574 2HG1 VAL 574 13.883 -2.130 2.430 432 HG13 VAL 574 3HG1 VAL 574 14.101 -1.042 3.774 433 HG21 VAL 574 3HG2 VAL 574 13.555 -4.669 4.534 434 HG22 VAL 574 1HG2 VAL 574 11.829 -4.676 4.153 435 HG23 VAL 574 2HG2 VAL 574 13.005 -4.445 2.864 436 H ASP 575 H ASP 575 13.984 -1.230 7.406 437 HA ASP 575 HA ASP 575 12.925 1.524 7.078 438 HB2 ASP 575 1HB ASP 575 12.994 0.598 9.350 439 HB3 ASP 575 2HB ASP 575 14.727 0.292 9.212 440 H TYR 576 H TYR 576 13.919 2.026 5.068 441 HA TYR 576 HA TYR 576 16.627 3.048 5.409 442 HD1 TYR 576 2HD TYR 576 19.360 2.222 4.519 443 HD2 TYR 576 1HD TYR 576 16.587 1.916 1.238 444 HE1 TYR 576 2HE TYR 576 21.106 3.061 2.985 445 HE2 TYR 576 1HE TYR 576 18.311 2.809 -0.306 446 HH TYR 576 HH TYR 576 21.661 3.530 0.730 447 HB2 TYR 576 1HB TYR 576 17.282 0.838 4.655 448 HB3 TYR 576 2HB TYR 576 16.122 0.851 3.372 449 H GLY 577 H GLY 577 16.329 5.087 4.764 450 HA2 GLY 577 1HA GLY 577 15.790 6.896 3.501 451 HA3 GLY 577 2HA GLY 577 15.165 5.836 2.227 452 H VAL 578 H VAL 578 13.200 4.482 3.266 453 HA VAL 578 HA VAL 578 11.180 6.193 4.615 454 HB VAL 578 HB VAL 578 11.204 4.946 1.859 455 HG11 VAL 578 1HG1 VAL 578 8.595 5.501 3.308 456 HG12 VAL 578 2HG1 VAL 578 8.817 5.156 1.573 457 HG13 VAL 578 3HG1 VAL 578 9.190 3.906 2.753 458 HG21 VAL 578 3HG2 VAL 578 10.088 7.555 2.935 459 HG22 VAL 578 1HG2 VAL 578 11.639 7.341 2.097 460 HG23 VAL 578 2HG2 VAL 578 10.134 7.055 1.231 461 H ARG 579 H ARG 579 9.357 4.664 5.272 462 HA ARG 579 HA ARG 579 10.472 2.108 6.337 463 HE ARG 579 HE ARG 579 9.469 2.713 11.578 464 HB2 ARG 579 1HB ARG 579 8.270 4.033 7.133 465 HB3 ARG 579 2HB ARG 579 8.105 2.316 7.567 466 HG2 ARG 579 1HG ARG 579 10.272 2.312 8.642 467 HG3 ARG 579 2HG ARG 579 10.562 3.990 8.173 468 HD2 ARG 579 1HD ARG 579 8.997 4.831 9.768 469 HD3 ARG 579 2HD ARG 579 8.169 3.273 9.882 470 HH11 ARG 579 2HH2 ARG 579 11.484 5.018 9.838 471 HH12 ARG 579 1HH2 ARG 579 12.969 4.149 10.161 472 HH21 ARG 579 2HH1 ARG 579 11.449 1.686 12.159 473 HH22 ARG 579 1HH1 ARG 579 12.954 2.430 11.664 474 H PHE 580 H PHE 580 10.301 0.587 4.792 475 HA PHE 580 HA PHE 580 7.736 0.480 3.266 476 HD1 PHE 580 1HD PHE 580 7.970 1.295 0.719 477 HD2 PHE 580 2HD PHE 580 11.895 0.950 2.363 478 HE1 PHE 580 1HE PHE 580 8.692 3.195 -0.678 479 HE2 PHE 580 2HE PHE 580 12.670 2.846 0.909 480 HZ PHE 580 HZ PHE 580 11.065 3.959 -0.604 481 HB2 PHE 580 1HB PHE 580 10.391 -0.835 2.666 482 HB3 PHE 580 2HB PHE 580 8.951 -0.955 1.680 483 H PHE 581 H PHE 581 6.824 -1.669 2.862 484 HA PHE 581 HA PHE 581 7.731 -3.901 4.578 485 HD1 PHE 581 2HD PHE 581 6.911 -4.986 6.837 486 HD2 PHE 581 1HD PHE 581 3.517 -5.117 4.200 487 HE1 PHE 581 2HE PHE 581 6.276 -7.189 7.783 488 HE2 PHE 581 1HE PHE 581 2.911 -7.378 5.158 489 HZ PHE 581 HZ PHE 581 4.307 -8.392 6.893 490 HB2 PHE 581 1HB PHE 581 5.853 -2.885 5.812 491 HB3 PHE 581 2HB PHE 581 4.811 -3.059 4.424 492 H PHE 582 H PHE 582 8.589 -4.963 2.731 493 HA PHE 582 HA PHE 582 6.928 -5.085 0.299 494 HD1 PHE 582 2HD PHE 582 8.614 -4.350 -1.894 495 HD2 PHE 582 1HD PHE 582 11.001 -4.802 1.636 496 HE1 PHE 582 2HE PHE 582 9.908 -2.262 -2.484 497 HE2 PHE 582 1HE PHE 582 12.263 -2.754 1.065 498 HZ PHE 582 HZ PHE 582 11.715 -1.471 -0.973 499 HB2 PHE 582 1HB PHE 582 9.459 -6.589 0.869 500 HB3 PHE 582 2HB PHE 582 8.635 -6.449 -0.660 501 H TYR 583 H TYR 583 5.659 -6.788 -0.237 502 HA TYR 583 HA TYR 583 5.605 -9.246 1.416 503 HD1 TYR 583 1HD TYR 583 3.531 -5.513 1.153 504 HD2 TYR 583 2HD TYR 583 1.794 -9.138 -0.371 505 HE1 TYR 583 1HE TYR 583 2.057 -4.181 -0.354 506 HE2 TYR 583 2HE TYR 583 0.359 -7.848 -1.904 507 HH TYR 583 HH TYR 583 -0.200 -5.643 -2.709 508 HB2 TYR 583 1HB TYR 583 3.224 -9.162 1.606 509 HB3 TYR 583 2HB TYR 583 3.879 -7.679 2.283 510 H THR 584 H THR 584 3.992 -10.874 0.219 511 HA THR 584 HA THR 584 4.815 -10.867 -2.623 512 HB THR 584 HB THR 584 4.341 -13.492 -1.943 513 HG1 THR 584 1HG THR 584 4.285 -13.510 0.211 514 HG21 THR 584 3HG2 THR 584 6.817 -13.664 -1.775 515 HG22 THR 584 1HG2 THR 584 6.325 -12.608 -3.114 516 HG23 THR 584 2HG2 THR 584 6.923 -11.900 -1.595 517 H SER 585 H SER 585 3.283 -11.352 -4.178 518 HA SER 585 HA SER 585 0.646 -10.449 -3.633 519 HG SER 585 HG SER 585 2.873 -12.176 -5.945 520 HB2 SER 585 1HB SER 585 0.152 -11.297 -5.918 521 HB3 SER 585 2HB SER 585 1.616 -10.311 -5.842 522 H LYS 586 H LYS 586 2.055 -13.665 -3.728 523 HA LYS 586 HA LYS 586 -0.400 -15.111 -3.865 524 HB2 LYS 586 1HB LYS 586 2.326 -15.993 -2.847 525 HB3 LYS 586 2HB LYS 586 0.954 -17.041 -3.236 526 HG2 LYS 586 1HG LYS 586 1.039 -16.125 -5.616 527 HG3 LYS 586 2HG LYS 586 2.577 -15.334 -5.178 528 HD2 LYS 586 1HD LYS 586 3.471 -17.547 -4.449 529 HD3 LYS 586 2HD LYS 586 1.925 -18.293 -4.913 530 HE2 LYS 586 1HE LYS 586 2.414 -17.376 -7.292 531 HE3 LYS 586 2HE LYS 586 4.062 -17.108 -6.706 532 HZ1 LYS 586 3HZ LYS 586 3.943 -19.521 -5.978 533 HZ2 LYS 586 1HZ LYS 586 2.586 -19.646 -6.874 534 HZ3 LYS 586 2HZ LYS 586 4.028 -19.262 -7.617 535 H GLU 587 H GLU 587 1.130 -13.535 -1.071 536 HA GLU 587 HA GLU 587 -0.049 -15.211 0.856 537 HB2 GLU 587 1HB GLU 587 0.973 -12.408 0.904 538 HB3 GLU 587 2HB GLU 587 -0.361 -12.718 2.009 539 HG2 GLU 587 1HG GLU 587 1.328 -13.295 3.369 540 HG3 GLU 587 2HG GLU 587 0.967 -14.852 2.714 541 HA PRO 588 HA PRO 588 -4.384 -14.479 -0.008 542 HB2 PRO 588 1HB PRO 588 -5.023 -14.805 2.856 543 HB3 PRO 588 2HB PRO 588 -5.463 -15.860 1.487 544 HG2 PRO 588 1HG PRO 588 -3.635 -16.597 3.418 545 HG3 PRO 588 2HG PRO 588 -3.544 -17.149 1.717 546 HD2 PRO 588 1HD PRO 588 -2.040 -14.890 3.027 547 HD3 PRO 588 2HD PRO 588 -1.413 -16.160 1.964 548 H VAL 589 H VAL 589 -5.424 -12.498 -0.120 549 HA VAL 589 HA VAL 589 -4.578 -10.164 1.074 550 HB VAL 589 HB VAL 589 -7.527 -10.809 0.560 551 HG11 VAL 589 1HG1 VAL 589 -5.909 -8.205 0.423 552 HG12 VAL 589 2HG1 VAL 589 -7.621 -8.375 -0.018 553 HG13 VAL 589 3HG1 VAL 589 -7.112 -8.633 1.654 554 HG21 VAL 589 3HG2 VAL 589 -7.181 -9.957 -1.732 555 HG22 VAL 589 1HG2 VAL 589 -5.447 -9.820 -1.413 556 HG23 VAL 589 2HG2 VAL 589 -6.249 -11.418 -1.475 557 H ALA 590 H ALA 590 -6.771 -12.596 2.497 558 HA ALA 590 HA ALA 590 -7.498 -11.244 4.856 559 HB1 ALA 590 1HB ALA 590 -6.979 -14.218 4.374 560 HB2 ALA 590 2HB ALA 590 -7.795 -13.559 5.792 561 HB3 ALA 590 3HB ALA 590 -8.529 -13.365 4.185 562 H SER 591 H SER 591 -4.596 -13.401 4.393 563 HA SER 591 HA SER 591 -3.738 -12.953 7.121 564 HG SER 591 HG SER 591 -2.437 -15.036 7.437 565 HB2 SER 591 1HB SER 591 -3.169 -14.928 5.444 566 HB3 SER 591 2HB SER 591 -1.840 -13.851 4.955 567 H ILE 592 H ILE 592 -2.580 -11.631 3.886 568 HA ILE 592 HA ILE 592 -0.640 -10.084 5.010 569 HB ILE 592 HB ILE 592 -1.664 -10.690 2.480 570 HG12 ILE 592 1HG1 ILE 592 0.654 -10.773 3.351 571 HG13 ILE 592 2HG1 ILE 592 0.549 -10.024 1.762 572 HG21 ILE 592 1HG2 ILE 592 -1.399 -8.666 1.168 573 HG22 ILE 592 2HG2 ILE 592 -2.883 -8.657 2.159 574 HG23 ILE 592 3HG2 ILE 592 -1.470 -7.681 2.639 575 HD11 ILE 592 3HD1 ILE 592 0.477 -8.296 4.250 576 HD12 ILE 592 1HD1 ILE 592 2.010 -8.896 3.594 577 HD13 ILE 592 2HD1 ILE 592 0.943 -7.871 2.602 578 H ILE 593 H ILE 593 -4.094 -9.270 4.721 579 HA ILE 593 HA ILE 593 -3.972 -6.596 5.621 580 HB ILE 593 HB ILE 593 -6.058 -8.806 5.623 581 HG12 ILE 593 1HG1 ILE 593 -6.007 -5.980 4.492 582 HG13 ILE 593 2HG1 ILE 593 -5.614 -7.449 3.594 583 HG21 ILE 593 1HG2 ILE 593 -6.444 -6.182 7.076 584 HG22 ILE 593 2HG2 ILE 593 -7.754 -7.294 6.623 585 HG23 ILE 593 3HG2 ILE 593 -6.540 -7.837 7.743 586 HD11 ILE 593 3HD1 ILE 593 -7.836 -6.832 2.977 587 HD12 ILE 593 1HD1 ILE 593 -7.978 -8.261 4.022 588 HD13 ILE 593 2HD1 ILE 593 -8.338 -6.630 4.647 589 H THR 594 H THR 594 -4.798 -9.436 7.636 590 HA THR 594 HA THR 594 -4.415 -8.713 10.091 591 HB THR 594 HB THR 594 -2.915 -11.205 9.205 592 HG1 THR 594 1HG THR 594 -4.888 -11.195 8.100 593 HG21 THR 594 3HG2 THR 594 -3.994 -12.080 11.305 594 HG22 THR 594 1HG2 THR 594 -2.831 -10.769 11.566 595 HG23 THR 594 2HG2 THR 594 -4.571 -10.433 11.632 596 H LYS 595 H LYS 595 -1.396 -9.113 8.019 597 HA LYS 595 HA LYS 595 0.509 -8.721 10.028 598 HB2 LYS 595 1HB LYS 595 0.783 -7.438 7.296 599 HB3 LYS 595 2HB LYS 595 1.987 -8.223 8.287 600 HG2 LYS 595 1HG LYS 595 -0.229 -9.716 6.926 601 HG3 LYS 595 2HG LYS 595 1.275 -9.333 6.106 602 HD2 LYS 595 1HD LYS 595 2.492 -10.791 7.291 603 HD3 LYS 595 2HD LYS 595 1.385 -10.805 8.697 604 HE2 LYS 595 1HE LYS 595 -0.291 -12.009 7.224 605 HE3 LYS 595 2HE LYS 595 0.928 -12.028 5.931 606 HZ1 LYS 595 3HZ LYS 595 2.337 -13.333 7.448 607 HZ2 LYS 595 1HZ LYS 595 1.084 -13.453 8.521 608 HZ3 LYS 595 2HZ LYS 595 0.958 -14.096 7.020 609 H LEU 596 H LEU 596 -1.284 -6.411 8.009 610 HA LEU 596 HA LEU 596 0.054 -4.062 9.067 611 HG LEU 596 HG LEU 596 -0.587 -5.289 6.289 612 HB2 LEU 596 1HB LEU 596 -2.584 -4.356 7.593 613 HB3 LEU 596 2HB LEU 596 -1.685 -2.861 7.792 614 HD11 LEU 596 1HD1 LEU 596 -1.243 -4.185 4.210 615 HD12 LEU 596 2HD1 LEU 596 -2.646 -4.599 5.209 616 HD13 LEU 596 3HD1 LEU 596 -2.079 -2.916 5.126 617 HD21 LEU 596 3HD2 LEU 596 0.975 -3.734 5.285 618 HD22 LEU 596 1HD2 LEU 596 0.239 -2.363 6.144 619 HD23 LEU 596 2HD2 LEU 596 1.096 -3.621 7.046 620 H ASN 597 H ASN 597 -2.763 -5.950 9.960 621 HA ASN 597 HA ASN 597 -3.988 -3.949 11.673 622 HB2 ASN 597 1HB ASN 597 -4.410 -6.973 11.599 623 HB3 ASN 597 2HB ASN 597 -5.438 -5.814 12.436 624 HD21 ASN 597 1HD2 ASN 597 -6.644 -7.452 10.616 625 HD22 ASN 597 2HD2 ASN 597 -7.010 -6.576 9.181 626 H SER 598 H SER 598 -1.590 -6.535 12.204 627 HA SER 598 HA SER 598 -1.839 -6.536 15.053 628 HG SER 598 HG SER 598 1.645 -6.682 14.204 629 HB2 SER 598 1HB SER 598 0.062 -7.855 15.098 630 HB3 SER 598 2HB SER 598 -0.601 -8.208 13.499 631 H LEU 599 H LEU 599 0.295 -4.824 12.817 632 HA LEU 599 HA LEU 599 1.648 -3.176 14.692 633 HG LEU 599 HG LEU 599 2.134 -4.749 11.897 634 HB2 LEU 599 1HB LEU 599 1.001 -2.557 11.783 635 HB3 LEU 599 2HB LEU 599 2.282 -1.819 12.738 636 HD11 LEU 599 1HD1 LEU 599 3.976 -4.157 10.365 637 HD12 LEU 599 2HD1 LEU 599 2.532 -3.191 10.013 638 HD13 LEU 599 3HD1 LEU 599 3.898 -2.464 10.893 639 HD21 LEU 599 3HD2 LEU 599 4.483 -4.852 12.644 640 HD22 LEU 599 1HD2 LEU 599 4.356 -3.209 13.300 641 HD23 LEU 599 2HD2 LEU 599 3.383 -4.535 13.988 642 H ASN 600 H ASN 600 -1.175 -2.564 12.636 643 HA ASN 600 HA ASN 600 -2.867 -1.128 12.667 644 HB2 ASN 600 1HB ASN 600 -3.000 -2.037 15.100 645 HB3 ASN 600 2HB ASN 600 -2.414 -0.443 15.563 646 HD21 ASN 600 1HD2 ASN 600 -4.008 1.195 15.718 647 HD22 ASN 600 2HD2 ASN 600 -5.642 0.995 15.113 648 H GLU 601 H GLU 601 0.042 -0.267 12.277 649 HA GLU 601 HA GLU 601 0.111 2.471 13.137 650 HB2 GLU 601 1HB GLU 601 1.945 0.727 11.495 651 HB3 GLU 601 2HB GLU 601 2.282 2.434 11.705 652 HG2 GLU 601 1HG GLU 601 1.947 0.443 13.995 653 HG3 GLU 601 2HG GLU 601 3.459 0.943 13.279 654 HA PRO 602 HA PRO 602 -1.867 4.238 9.688 655 HB2 PRO 602 1HB PRO 602 -0.610 6.693 9.357 656 HB3 PRO 602 2HB PRO 602 -1.736 6.287 10.686 657 HG2 PRO 602 1HG PRO 602 1.291 6.218 10.709 658 HG3 PRO 602 2HG PRO 602 0.175 6.903 11.942 659 HD2 PRO 602 1HD PRO 602 1.288 4.453 12.218 660 HD3 PRO 602 2HD PRO 602 -0.402 4.765 12.723 661 H LEU 603 H LEU 603 -1.785 3.479 7.694 662 HA LEU 603 HA LEU 603 0.777 3.337 6.227 663 HG LEU 603 HG LEU 603 -1.567 1.171 7.464 664 HB2 LEU 603 1HB LEU 603 -1.911 2.296 5.280 665 HB3 LEU 603 2HB LEU 603 -0.328 1.783 4.756 666 HD11 LEU 603 1HD1 LEU 603 -2.638 0.063 5.505 667 HD12 LEU 603 2HD1 LEU 603 -1.057 -0.600 5.042 668 HD13 LEU 603 3HD1 LEU 603 -1.819 -1.056 6.589 669 HD21 LEU 603 3HD2 LEU 603 0.388 -0.458 7.568 670 HD22 LEU 603 1HD2 LEU 603 1.104 0.407 6.190 671 HD23 LEU 603 2HD2 LEU 603 0.806 1.245 7.736 672 H VAL 604 H VAL 604 0.690 3.608 3.846 673 HA VAL 604 HA VAL 604 -1.486 5.142 2.639 674 HB VAL 604 HB VAL 604 0.982 6.059 1.572 675 HG11 VAL 604 1HG1 VAL 604 -1.048 7.177 1.132 676 HG12 VAL 604 2HG1 VAL 604 -0.836 7.997 2.730 677 HG13 VAL 604 3HG1 VAL 604 0.393 8.109 1.434 678 HG21 VAL 604 3HG2 VAL 604 0.808 6.872 4.447 679 HG22 VAL 604 1HG2 VAL 604 2.020 5.765 3.727 680 HG23 VAL 604 2HG2 VAL 604 1.998 7.443 3.231 681 H THR 605 H THR 605 -1.904 3.778 0.992 682 HA THR 605 HA THR 605 0.074 2.708 -0.781 683 HB THR 605 HB THR 605 0.465 1.155 1.067 684 HG1 THR 605 1HG THR 605 0.288 -0.695 -0.250 685 HG21 THR 605 3HG2 THR 605 -1.780 1.015 2.042 686 HG22 THR 605 1HG2 THR 605 -2.359 0.131 0.610 687 HG23 THR 605 2HG2 THR 605 -1.148 -0.575 1.687 688 H MET 606 H MET 606 -1.057 1.573 -2.714 689 HA MET 606 HA MET 606 -3.835 2.306 -3.064 690 HB2 MET 606 1HB MET 606 -3.460 1.490 -5.287 691 HB3 MET 606 2HB MET 606 -2.067 2.458 -4.814 692 HG2 MET 606 1HG MET 606 -1.088 0.236 -4.011 693 HG3 MET 606 2HG MET 606 -2.393 -0.508 -4.931 694 HE1 MET 606 3HE MET 606 -2.157 2.124 -7.274 695 HE2 MET 606 1HE MET 606 -1.484 1.048 -8.527 696 HE3 MET 606 2HE MET 606 -2.800 0.479 -7.478 697 HA PRO 607 HA PRO 607 -5.662 -1.075 -1.356 698 HB2 PRO 607 1HB PRO 607 -7.435 -2.194 -3.232 699 HB3 PRO 607 2HB PRO 607 -7.715 -0.813 -2.156 700 HG2 PRO 607 1HG PRO 607 -7.067 -0.809 -5.055 701 HG3 PRO 607 2HG PRO 607 -7.914 0.425 -4.084 702 HD2 PRO 607 1HD PRO 607 -5.270 0.531 -4.986 703 HD3 PRO 607 2HD PRO 607 -5.897 1.561 -3.672 704 H ILE 608 H ILE 608 -4.816 -2.915 -0.695 705 HA ILE 608 HA ILE 608 -2.745 -4.146 -2.194 706 HB ILE 608 HB ILE 608 -4.059 -4.766 0.430 707 HG12 ILE 608 1HG1 ILE 608 -3.036 -2.548 0.416 708 HG13 ILE 608 2HG1 ILE 608 -2.259 -3.637 1.541 709 HG21 ILE 608 1HG2 ILE 608 -3.014 -6.806 -0.083 710 HG22 ILE 608 2HG2 ILE 608 -1.588 -6.002 -0.759 711 HG23 ILE 608 3HG2 ILE 608 -1.874 -5.976 0.988 712 HD11 ILE 608 3HD1 ILE 608 -0.629 -2.253 0.325 713 HD12 ILE 608 1HD1 ILE 608 -0.383 -3.963 0.031 714 HD13 ILE 608 2HD1 ILE 608 -1.155 -2.939 -1.216 715 H GLY 609 H GLY 609 -6.025 -5.279 -1.254 716 HA2 GLY 609 1HA GLY 609 -5.756 -7.644 -3.011 717 HA3 GLY 609 2HA GLY 609 -7.097 -7.253 -1.930 718 H TYR 610 H TYR 610 -5.513 -6.112 -4.922 719 HA TYR 610 HA TYR 610 -8.099 -5.319 -6.168 720 HD1 TYR 610 2HD TYR 610 -9.413 -3.926 -7.158 721 HD2 TYR 610 1HD TYR 610 -5.617 -1.841 -7.792 722 HE1 TYR 610 2HE TYR 610 -10.475 -2.372 -8.522 723 HE2 TYR 610 1HE TYR 610 -6.673 -0.589 -9.630 724 HH TYR 610 HH TYR 610 -8.734 -0.317 -10.905 725 HB2 TYR 610 1HB TYR 610 -7.051 -3.300 -5.215 726 HB3 TYR 610 2HB TYR 610 -5.634 -3.581 -6.214 727 H VAL 611 H VAL 611 -6.568 -4.579 -8.558 728 HA VAL 611 HA VAL 611 -6.204 -6.582 -10.195 729 HB VAL 611 HB VAL 611 -4.175 -5.344 -11.143 730 HG11 VAL 611 1HG1 VAL 611 -5.574 -3.353 -11.786 731 HG12 VAL 611 2HG1 VAL 611 -6.544 -4.833 -11.812 732 HG13 VAL 611 3HG1 VAL 611 -6.687 -3.698 -10.459 733 HG21 VAL 611 3HG2 VAL 611 -3.073 -4.306 -9.385 734 HG22 VAL 611 1HG2 VAL 611 -3.800 -3.022 -10.324 735 HG23 VAL 611 2HG2 VAL 611 -4.531 -3.503 -8.789 736 H THR 612 H THR 612 -3.691 -5.785 -7.891 737 HA THR 612 HA THR 612 -1.664 -7.591 -8.467 738 HB THR 612 HB THR 612 -1.286 -7.191 -5.884 739 HG1 THR 612 1HG THR 612 -2.605 -5.319 -5.255 740 HG21 THR 612 3HG2 THR 612 -0.499 -4.948 -6.359 741 HG22 THR 612 1HG2 THR 612 -0.287 -5.909 -7.824 742 HG23 THR 612 2HG2 THR 612 -1.648 -4.766 -7.716 743 H HIS 613 H HIS 613 -4.574 -8.059 -6.570 744 HA HIS 613 HA HIS 613 -4.060 -10.935 -6.115 745 HD1 HIS 613 1HD HIS 613 -3.494 -8.101 -3.540 746 HD2 HIS 613 2HD HIS 613 -4.501 -12.228 -3.255 747 HE1 HIS 613 1HE HIS 613 -1.926 -9.162 -1.809 748 HE2 HIS 613 2HE HIS 613 -2.493 -11.661 -1.701 749 HB2 HIS 613 1HB HIS 613 -5.890 -8.973 -4.782 750 HB3 HIS 613 2HB HIS 613 -6.147 -10.700 -4.663 751 H GLY 614 H GLY 614 -5.138 -9.272 -8.673 752 HA2 GLY 614 1HA GLY 614 -6.567 -9.746 -10.395 753 HA3 GLY 614 2HA GLY 614 -6.994 -11.261 -9.591 754 H PHE 615 H PHE 615 -7.417 -8.317 -7.691 755 HA PHE 615 HA PHE 615 -10.287 -9.026 -7.591 756 HD1 PHE 615 1HD PHE 615 -9.314 -10.670 -6.396 757 HD2 PHE 615 2HD PHE 615 -9.876 -7.685 -3.355 758 HE1 PHE 615 1HE PHE 615 -9.317 -12.430 -4.651 759 HE2 PHE 615 2HE PHE 615 -9.907 -9.407 -1.623 760 HZ PHE 615 HZ PHE 615 -9.619 -11.824 -2.251 761 HB2 PHE 615 1HB PHE 615 -8.435 -7.474 -5.822 762 HB3 PHE 615 2HB PHE 615 -10.154 -7.168 -5.740 763 H ASN 616 H ASN 616 -11.761 -7.731 -7.938 764 HA ASN 616 HA ASN 616 -11.421 -5.201 -9.460 765 HB2 ASN 616 1HB ASN 616 -13.346 -6.969 -9.840 766 HB3 ASN 616 2HB ASN 616 -13.950 -6.490 -8.253 767 HD21 ASN 616 1HD2 ASN 616 -15.916 -5.869 -9.008 768 HD22 ASN 616 2HD2 ASN 616 -16.190 -4.362 -9.833 769 H LEU 617 H LEU 617 -12.858 -3.444 -8.856 770 HA LEU 617 HA LEU 617 -11.599 -2.380 -6.502 771 HG LEU 617 HG LEU 617 -12.866 1.075 -7.192 772 HB2 LEU 617 1HB LEU 617 -12.317 -1.066 -8.650 773 HB3 LEU 617 2HB LEU 617 -13.934 -1.053 -7.985 774 HD11 LEU 617 1HD1 LEU 617 -12.651 -0.461 -4.856 775 HD12 LEU 617 2HD1 LEU 617 -13.519 1.093 -5.331 776 HD13 LEU 617 3HD1 LEU 617 -14.171 -0.458 -5.776 777 HD21 LEU 617 3HD2 LEU 617 -10.742 1.292 -6.349 778 HD22 LEU 617 1HD2 LEU 617 -10.533 -0.461 -6.094 779 HD23 LEU 617 2HD2 LEU 617 -10.531 0.241 -7.735 780 H GLU 618 H GLU 618 -15.004 -3.177 -7.297 781 HA GLU 618 HA GLU 618 -16.257 -2.716 -4.890 782 HB2 GLU 618 1HB GLU 618 -17.205 -3.425 -7.119 783 HB3 GLU 618 2HB GLU 618 -16.654 -5.070 -6.801 784 HG2 GLU 618 1HG GLU 618 -18.113 -5.086 -4.753 785 HG3 GLU 618 2HG GLU 618 -18.748 -3.517 -5.225 786 H GLU 619 H GLU 619 -14.504 -5.666 -5.872 787 HA GLU 619 HA GLU 619 -14.881 -7.154 -3.503 788 HB2 GLU 619 1HB GLU 619 -12.554 -7.165 -5.513 789 HB3 GLU 619 2HB GLU 619 -12.847 -8.446 -4.368 790 HG2 GLU 619 1HG GLU 619 -15.144 -7.784 -6.208 791 HG3 GLU 619 2HG GLU 619 -13.676 -8.332 -6.985 792 H ALA 620 H ALA 620 -12.143 -5.111 -4.605 793 HA ALA 620 HA ALA 620 -10.377 -5.495 -2.500 794 HB1 ALA 620 1HB ALA 620 -9.840 -4.483 -4.737 795 HB2 ALA 620 2HB ALA 620 -10.657 -2.983 -4.228 796 HB3 ALA 620 3HB ALA 620 -9.195 -3.577 -3.383 797 H ALA 621 H ALA 621 -12.818 -2.925 -2.906 798 HA ALA 621 HA ALA 621 -12.321 -1.418 -0.572 799 HB1 ALA 621 1HB ALA 621 -14.799 -0.853 -0.908 800 HB2 ALA 621 2HB ALA 621 -13.752 -0.573 -2.319 801 HB3 ALA 621 3HB ALA 621 -14.811 -2.000 -2.246 802 H ARG 622 H ARG 622 -14.638 -4.140 -1.180 803 HA ARG 622 HA ARG 622 -15.614 -4.347 1.440 804 HE ARG 622 HE ARG 622 -16.483 -7.688 -2.083 805 HB2 ARG 622 1HB ARG 622 -15.272 -6.523 -0.676 806 HB3 ARG 622 2HB ARG 622 -16.144 -6.765 0.831 807 HG2 ARG 622 1HG ARG 622 -17.727 -4.999 0.255 808 HG3 ARG 622 2HG ARG 622 -16.888 -4.653 -1.231 809 HD2 ARG 622 1HD ARG 622 -18.448 -7.151 -0.524 810 HD3 ARG 622 2HD ARG 622 -18.797 -5.898 -1.731 811 HH11 ARG 622 2HH2 ARG 622 -19.859 -6.918 -3.022 812 HH12 ARG 622 1HH2 ARG 622 -19.550 -7.115 -4.717 813 HH21 ARG 622 2HH1 ARG 622 -16.439 -8.762 -4.258 814 HH22 ARG 622 1HH1 ARG 622 -17.744 -8.433 -5.333 815 H CYS 623 H CYS 623 -12.755 -5.845 -0.024 816 HA CYS 623 HA CYS 623 -12.167 -7.522 2.231 817 HG CYS 623 HG CYS 623 -11.322 -9.647 0.996 818 HB2 CYS 623 1HB CYS 623 -11.368 -7.571 -0.360 819 HB3 CYS 623 2HB CYS 623 -9.994 -6.690 0.290 820 H MET 624 H MET 624 -10.835 -4.364 1.119 821 HA MET 624 HA MET 624 -8.868 -4.022 3.118 822 HB2 MET 624 1HB MET 624 -10.382 -2.258 1.224 823 HB3 MET 624 2HB MET 624 -9.640 -1.473 2.612 824 HG2 MET 624 1HG MET 624 -7.973 -3.216 0.813 825 HG3 MET 624 2HG MET 624 -8.311 -1.515 0.478 826 HE1 MET 624 3HE MET 624 -4.893 -0.554 1.980 827 HE2 MET 624 1HE MET 624 -5.321 -1.641 0.652 828 HE3 MET 624 2HE MET 624 -6.158 -0.069 0.845 829 H ARG 625 H ARG 625 -12.423 -3.540 3.372 830 HA ARG 625 HA ARG 625 -12.336 -1.967 5.760 831 HE ARG 625 HE ARG 625 -16.262 -1.207 6.340 832 HB2 ARG 625 1HB ARG 625 -14.365 -3.916 4.612 833 HB3 ARG 625 2HB ARG 625 -14.615 -3.107 6.158 834 HG2 ARG 625 1HG ARG 625 -14.340 -0.900 5.037 835 HG3 ARG 625 2HG ARG 625 -14.177 -1.729 3.480 836 HD2 ARG 625 1HD ARG 625 -16.455 -0.983 3.671 837 HD3 ARG 625 2HD ARG 625 -16.460 -2.744 3.842 838 HH11 ARG 625 2HH2 ARG 625 -18.686 -2.437 4.005 839 HH12 ARG 625 1HH2 ARG 625 -19.939 -2.478 5.186 840 HH21 ARG 625 2HH1 ARG 625 -17.829 -1.430 7.855 841 HH22 ARG 625 1HH1 ARG 625 -19.386 -2.146 7.482 842 H SER 626 H SER 626 -11.457 -5.359 5.343 843 HA SER 626 HA SER 626 -11.727 -5.966 8.188 844 HG SER 626 HG SER 626 -11.791 -8.241 5.220 845 HB2 SER 626 1HB SER 626 -10.096 -7.420 6.073 846 HB3 SER 626 2HB SER 626 -10.810 -8.092 7.546 847 H LEU 627 H LEU 627 -9.658 -3.834 6.650 848 HA LEU 627 HA LEU 627 -7.300 -4.486 8.267 849 HG LEU 627 HG LEU 627 -6.261 -1.669 8.354 850 HB2 LEU 627 1HB LEU 627 -7.094 -3.374 5.972 851 HB3 LEU 627 2HB LEU 627 -8.087 -2.049 6.578 852 HD11 LEU 627 1HD1 LEU 627 -5.081 -3.943 7.415 853 HD12 LEU 627 2HD1 LEU 627 -4.237 -2.724 6.444 854 HD13 LEU 627 3HD1 LEU 627 -4.220 -2.618 8.202 855 HD21 LEU 627 3HD2 LEU 627 -6.699 -0.096 6.594 856 HD22 LEU 627 1HD2 LEU 627 -4.961 -0.272 6.832 857 HD23 LEU 627 2HD2 LEU 627 -5.750 -1.044 5.431 858 H LYS 628 H LYS 628 -6.885 -3.450 10.190 859 HA LYS 628 HA LYS 628 -9.001 -1.654 11.309 860 HB2 LYS 628 1HB LYS 628 -6.953 -3.401 12.708 861 HB3 LYS 628 2HB LYS 628 -8.135 -2.350 13.484 862 HG2 LYS 628 1HG LYS 628 -8.758 -4.814 11.791 863 HG3 LYS 628 2HG LYS 628 -8.925 -4.623 13.533 864 HD2 LYS 628 1HD LYS 628 -10.538 -2.657 12.951 865 HD3 LYS 628 2HD LYS 628 -10.605 -3.404 11.324 866 HE2 LYS 628 1HE LYS 628 -11.547 -5.410 12.189 867 HE3 LYS 628 2HE LYS 628 -11.188 -4.957 13.863 868 HZ1 LYS 628 3HZ LYS 628 -12.824 -3.278 13.799 869 HZ2 LYS 628 1HZ LYS 628 -13.036 -3.403 12.175 870 HZ3 LYS 628 2HZ LYS 628 -13.537 -4.618 13.105 871 H ALA 629 H ALA 629 -5.657 -1.649 10.302 872 HA ALA 629 HA ALA 629 -4.757 0.543 11.844 873 HB1 ALA 629 1HB ALA 629 -3.939 -0.302 9.025 874 HB2 ALA 629 2HB ALA 629 -2.997 0.672 10.155 875 HB3 ALA 629 3HB ALA 629 -3.306 -1.040 10.513 876 HA PRO 630 HA PRO 630 -6.454 3.994 9.315 877 HB2 PRO 630 1HB PRO 630 -3.870 5.333 9.850 878 HB3 PRO 630 2HB PRO 630 -5.529 5.893 10.232 879 HG2 PRO 630 1HG PRO 630 -3.740 5.055 12.147 880 HG3 PRO 630 2HG PRO 630 -5.510 4.813 12.304 881 HD2 PRO 630 1HD PRO 630 -3.424 2.805 11.409 882 HD3 PRO 630 2HD PRO 630 -4.834 2.596 12.493 883 H ALA 631 H ALA 631 -6.087 4.334 7.006 884 HA ALA 631 HA ALA 631 -3.399 3.930 5.952 885 HB1 ALA 631 1HB ALA 631 -4.302 1.644 5.944 886 HB2 ALA 631 2HB ALA 631 -5.744 2.188 5.048 887 HB3 ALA 631 3HB ALA 631 -4.133 2.255 4.300 888 H VAL 632 H VAL 632 -3.115 5.252 3.983 889 HA VAL 632 HA VAL 632 -5.612 6.533 3.038 890 HB VAL 632 HB VAL 632 -2.703 6.963 2.535 891 HG11 VAL 632 1HG1 VAL 632 -3.290 8.931 1.193 892 HG12 VAL 632 2HG1 VAL 632 -3.949 7.457 0.493 893 HG13 VAL 632 3HG1 VAL 632 -5.011 8.562 1.394 894 HG21 VAL 632 3HG2 VAL 632 -3.337 7.882 4.683 895 HG22 VAL 632 1HG2 VAL 632 -3.046 9.210 3.553 896 HG23 VAL 632 2HG2 VAL 632 -4.712 8.746 3.937 897 H VAL 633 H VAL 633 -6.525 5.726 1.125 898 HA VAL 633 HA VAL 633 -5.169 3.361 -0.072 899 HB VAL 633 HB VAL 633 -8.126 4.031 -0.202 900 HG11 VAL 633 1HG1 VAL 633 -7.340 2.604 -2.025 901 HG12 VAL 633 2HG1 VAL 633 -6.504 1.532 -0.876 902 HG13 VAL 633 3HG1 VAL 633 -8.274 1.635 -0.896 903 HG21 VAL 633 3HG2 VAL 633 -7.587 3.584 2.144 904 HG22 VAL 633 1HG2 VAL 633 -8.524 2.264 1.428 905 HG23 VAL 633 2HG2 VAL 633 -6.782 2.062 1.683 906 H SER 634 H SER 634 -4.171 3.858 -1.961 907 HA SER 634 HA SER 634 -5.043 6.231 -3.474 908 HG SER 634 HG SER 634 -2.795 6.667 -5.224 909 HB2 SER 634 1HB SER 634 -2.617 5.154 -2.898 910 HB3 SER 634 2HB SER 634 -2.799 4.547 -4.531 911 H VAL 635 H VAL 635 -6.948 5.774 -4.604 912 HA VAL 635 HA VAL 635 -7.052 3.229 -6.119 913 HB VAL 635 HB VAL 635 -9.264 3.950 -6.843 914 HG11 VAL 635 1HG1 VAL 635 -8.812 3.790 -3.828 915 HG12 VAL 635 2HG1 VAL 635 -10.343 3.508 -4.669 916 HG13 VAL 635 3HG1 VAL 635 -8.970 2.422 -4.943 917 HG21 VAL 635 3HG2 VAL 635 -8.988 6.425 -6.494 918 HG22 VAL 635 1HG2 VAL 635 -10.422 5.722 -5.723 919 HG23 VAL 635 2HG2 VAL 635 -9.023 6.136 -4.740 920 H SER 636 H SER 636 -8.046 3.529 -8.360 921 HA SER 636 HA SER 636 -5.798 4.128 -9.819 922 HG SER 636 HG SER 636 -8.157 1.903 -9.377 923 HB2 SER 636 1HB SER 636 -7.939 3.632 -11.618 924 HB3 SER 636 2HB SER 636 -6.769 2.476 -10.958 925 H SER 637 H SER 637 -8.826 5.928 -9.497 926 HA SER 637 HA SER 637 -7.786 8.277 -10.949 927 HG SER 637 HG SER 637 -8.230 6.421 -12.917 928 HB2 SER 637 1HB SER 637 -10.561 7.295 -11.529 929 HB3 SER 637 2HB SER 637 -9.535 8.345 -12.500 930 HA PRO 638 HA PRO 638 -10.253 10.120 -7.749 931 HB2 PRO 638 1HB PRO 638 -11.280 12.364 -8.976 932 HB3 PRO 638 2HB PRO 638 -9.578 12.214 -8.431 933 HG2 PRO 638 1HG PRO 638 -10.663 11.756 -11.210 934 HG3 PRO 638 2HG PRO 638 -9.172 12.634 -10.723 935 HD2 PRO 638 1HD PRO 638 -8.998 10.152 -11.596 936 HD3 PRO 638 2HD PRO 638 -7.974 10.740 -10.264 937 H ASP 639 H ASP 639 -11.739 9.510 -10.959 938 HA ASP 639 HA ASP 639 -14.411 9.538 -10.085 939 HB2 ASP 639 1HB ASP 639 -13.020 8.794 -12.456 940 HB3 ASP 639 2HB ASP 639 -13.933 7.359 -11.994 941 H ALA 640 H ALA 640 -11.921 7.149 -9.579 942 HA ALA 640 HA ALA 640 -13.694 4.941 -8.689 943 HB1 ALA 640 1HB ALA 640 -10.666 5.198 -8.588 944 HB2 ALA 640 2HB ALA 640 -11.648 3.749 -8.325 945 HB3 ALA 640 3HB ALA 640 -11.582 4.482 -9.938 946 H VAL 641 H VAL 641 -12.206 7.829 -7.258 947 HA VAL 641 HA VAL 641 -11.951 6.743 -4.577 948 HB VAL 641 HB VAL 641 -12.431 9.558 -5.602 949 HG11 VAL 641 1HG1 VAL 641 -11.567 8.578 -2.839 950 HG12 VAL 641 2HG1 VAL 641 -11.502 10.274 -3.361 951 HG13 VAL 641 3HG1 VAL 641 -13.061 9.475 -3.246 952 HG21 VAL 641 3HG2 VAL 641 -10.047 9.958 -5.270 953 HG22 VAL 641 1HG2 VAL 641 -9.825 8.337 -4.578 954 HG23 VAL 641 2HG2 VAL 641 -10.213 8.520 -6.292 955 H THR 642 H THR 642 -14.420 8.748 -6.230 956 HA THR 642 HA THR 642 -16.425 8.730 -4.330 957 HB THR 642 HB THR 642 -16.512 8.613 -7.355 958 HG1 THR 642 1HG THR 642 -16.403 10.771 -7.314 959 HG21 THR 642 3HG2 THR 642 -18.592 10.004 -7.121 960 HG22 THR 642 1HG2 THR 642 -18.793 8.415 -6.366 961 HG23 THR 642 2HG2 THR 642 -18.469 9.836 -5.354 962 H THR 643 H THR 643 -15.923 6.331 -7.046 963 HA THR 643 HA THR 643 -18.074 4.677 -6.395 964 HB THR 643 HB THR 643 -15.471 3.577 -7.511 965 HG1 THR 643 1HG THR 643 -16.145 4.508 -9.535 966 HG21 THR 643 3HG2 THR 643 -17.647 2.239 -7.304 967 HG22 THR 643 1HG2 THR 643 -18.328 3.308 -8.515 968 HG23 THR 643 2HG2 THR 643 -16.922 2.301 -8.929 969 H TYR 644 H TYR 644 -14.668 4.575 -5.275 970 HA TYR 644 HA TYR 644 -14.734 2.095 -4.011 971 HD1 TYR 644 1HD TYR 644 -12.783 3.677 -0.988 972 HD2 TYR 644 2HD TYR 644 -11.702 1.405 -4.446 973 HE1 TYR 644 1HE TYR 644 -11.450 2.174 0.473 974 HE2 TYR 644 2HE TYR 644 -10.577 -0.354 -2.898 975 HH TYR 644 HH TYR 644 -10.589 0.047 0.595 976 HB2 TYR 644 1HB TYR 644 -12.721 3.356 -4.690 977 HB3 TYR 644 2HB TYR 644 -13.007 4.521 -3.400 978 H ASN 645 H ASN 645 -15.076 5.436 -2.624 979 HA ASN 645 HA ASN 645 -15.589 4.516 0.031 980 HB2 ASN 645 1HB ASN 645 -16.507 7.118 -1.206 981 HB3 ASN 645 2HB ASN 645 -16.360 6.738 0.494 982 HD21 ASN 645 1HD2 ASN 645 -14.957 8.636 -1.565 983 HD22 ASN 645 2HD2 ASN 645 -13.261 8.314 -1.363 984 H GLY 646 H GLY 646 -17.584 5.068 -2.768 985 HA2 GLY 646 1HA GLY 646 -20.232 4.631 -1.808 986 HA3 GLY 646 2HA GLY 646 -19.609 4.015 -3.354 987 H TYR 647 H TYR 647 -17.930 2.053 -2.905 988 HA TYR 647 HA TYR 647 -19.474 -0.123 -1.922 989 HD1 TYR 647 2HD TYR 647 -19.620 -1.212 -4.122 990 HD2 TYR 647 1HD TYR 647 -15.625 0.409 -4.530 991 HE1 TYR 647 2HE TYR 647 -19.822 -1.272 -6.585 992 HE2 TYR 647 1HE TYR 647 -15.844 0.501 -6.869 993 HH TYR 647 HH TYR 647 -17.199 -0.200 -8.806 994 HB2 TYR 647 1HB TYR 647 -16.480 0.005 -2.374 995 HB3 TYR 647 2HB TYR 647 -17.451 -1.462 -2.310 996 H LEU 648 H LEU 648 -17.507 2.080 -0.078 997 HA LEU 648 HA LEU 648 -16.819 0.206 2.027 998 HG LEU 648 HG LEU 648 -14.441 2.998 1.659 999 HB2 LEU 648 1HB LEU 648 -16.626 3.144 1.504 1000 HB3 LEU 648 2HB LEU 648 -16.652 2.678 3.149 1001 HD11 LEU 648 1HD1 LEU 648 -14.384 2.696 4.049 1002 HD12 LEU 648 2HD1 LEU 648 -14.762 0.970 3.887 1003 HD13 LEU 648 3HD1 LEU 648 -13.200 1.607 3.308 1004 HD21 LEU 648 3HD2 LEU 648 -14.973 1.107 0.134 1005 HD22 LEU 648 1HD2 LEU 648 -13.419 0.981 0.913 1006 HD23 LEU 648 2HD2 LEU 648 -14.750 -0.026 1.490 1007 H THR 649 H THR 649 -19.578 2.108 1.276 1008 HA THR 649 HA THR 649 -20.830 1.404 3.896 1009 HB THR 649 HB THR 649 -20.519 3.749 3.678 1010 HG1 THR 649 1HG THR 649 -23.263 3.199 3.164 1011 HG21 THR 649 3HG2 THR 649 -20.364 4.077 1.280 1012 HG22 THR 649 1HG2 THR 649 -22.085 3.689 1.082 1013 HG23 THR 649 2HG2 THR 649 -21.573 5.147 1.974 1014 H SER 650 H SER 650 -21.137 1.221 0.368 1015 HA SER 650 HA SER 650 -22.638 0.313 -0.999 1016 HG SER 650 HG SER 650 -21.240 -2.428 -1.025 1017 HB2 SER 650 1HB SER 650 -22.606 -1.823 1.156 1018 HB3 SER 650 2HB SER 650 -23.206 -2.022 -0.500 1019 H SER 651 H SER 651 -24.022 2.118 -0.557 1020 HA SER 651 HA SER 651 -25.958 3.173 -0.132 1021 HG SER 651 HG SER 651 -28.284 2.593 -0.893 1022 HB2 SER 651 1HB SER 651 -26.999 0.828 -0.760 1023 HB3 SER 651 2HB SER 651 -27.280 0.681 0.965 Start of MODEL 10 1 H1 GLY -4 H GLY -4 1.027 18.029 3.216 2 HA2 GLY -4 1HA GLY -4 -0.682 19.692 4.985 3 HA3 GLY -4 2HA GLY -4 -0.999 19.459 3.262 4 H SER -3 H SER -3 -1.381 18.040 6.454 5 HA SER -3 HA SER -3 -1.301 15.329 5.672 6 HG SER -3 HG SER -3 -1.492 14.577 8.961 7 HB2 SER -3 1HB SER -3 -1.082 16.496 7.994 8 HB3 SER -3 2HB SER -3 -2.834 16.245 8.093 9 H HIS -2 H HIS -2 -2.873 13.751 5.382 10 HA HIS -2 HA HIS -2 -5.656 14.100 5.878 11 HD1 HIS -2 1HD HIS -2 -5.308 16.562 2.411 12 HD2 HIS -2 2HD HIS -2 -8.055 14.583 4.944 13 HE1 HIS -2 1HE HIS -2 -7.251 18.206 2.840 14 HE2 HIS -2 2HE HIS -2 -8.938 16.972 4.366 15 HB2 HIS -2 1HB HIS -2 -4.644 14.117 3.022 16 HB3 HIS -2 2HB HIS -2 -6.063 13.141 3.363 17 H MET -1 H MET -1 -6.795 11.922 5.358 18 HA MET -1 HA MET -1 -5.060 9.618 5.213 19 HB2 MET -1 1HB MET -1 -5.473 10.583 7.639 20 HB3 MET -1 2HB MET -1 -7.064 9.847 7.478 21 HG2 MET -1 1HG MET -1 -6.173 7.703 7.487 22 HG3 MET -1 2HG MET -1 -4.641 8.203 6.778 23 HE1 MET -1 3HE MET -1 -3.373 10.446 8.489 24 HE2 MET -1 1HE MET -1 -2.520 9.510 9.734 25 HE3 MET -1 2HE MET -1 -2.526 8.948 8.047 26 H GLY 527 H GLY 527 -6.615 7.594 5.064 27 HA2 GLY 527 1HA GLY 527 -8.720 6.649 4.537 28 HA3 GLY 527 2HA GLY 527 -9.307 8.247 4.039 29 H THR 528 H THR 528 -9.947 6.591 2.120 30 HA THR 528 HA THR 528 -7.988 5.851 0.210 31 HB THR 528 HB THR 528 -10.855 6.875 -0.284 32 HG1 THR 528 1HG THR 528 -11.540 5.326 0.807 33 HG21 THR 528 3HG2 THR 528 -9.376 6.359 -2.302 34 HG22 THR 528 1HG2 THR 528 -9.279 4.688 -1.715 35 HG23 THR 528 2HG2 THR 528 -10.851 5.401 -2.188 36 H VAL 529 H VAL 529 -7.023 7.021 -1.450 37 HA VAL 529 HA VAL 529 -7.651 9.921 -1.744 38 HB VAL 529 HB VAL 529 -5.314 10.585 -1.788 39 HG11 VAL 529 1HG1 VAL 529 -6.588 10.652 0.373 40 HG12 VAL 529 2HG1 VAL 529 -5.758 9.157 0.834 41 HG13 VAL 529 3HG1 VAL 529 -4.817 10.628 0.524 42 HG21 VAL 529 3HG2 VAL 529 -3.505 9.103 -0.994 43 HG22 VAL 529 1HG2 VAL 529 -4.634 7.728 -0.987 44 HG23 VAL 529 2HG2 VAL 529 -4.208 8.552 -2.511 45 H SER 530 H SER 530 -6.219 10.785 -3.688 46 HA SER 530 HA SER 530 -6.012 8.735 -5.842 47 HG SER 530 HG SER 530 -6.798 12.305 -6.349 48 HB2 SER 530 1HB SER 530 -6.961 10.424 -7.394 49 HB3 SER 530 2HB SER 530 -8.116 9.834 -6.194 50 H TRP 531 H TRP 531 -3.766 8.744 -5.155 51 HA TRP 531 HA TRP 531 -2.223 11.199 -5.898 52 HD1 TRP 531 HD TRP 531 -3.342 12.194 -4.114 53 HE1 TRP 531 1HE TRP 531 -3.685 13.205 -1.799 54 HE3 TRP 531 3HE TRP 531 -0.013 9.332 -1.579 55 HZ2 TRP 531 2HZ TRP 531 -2.801 12.631 0.902 56 HZ3 TRP 531 3HZ TRP 531 0.205 9.557 0.874 57 HH2 TRP 531 HH TRP 531 -1.254 11.163 2.126 58 HB2 TRP 531 1HB TRP 531 -1.555 8.967 -3.956 59 HB3 TRP 531 2HB TRP 531 -0.453 10.203 -4.483 60 H ASN 532 H ASN 532 -0.237 10.715 -7.051 61 HA ASN 532 HA ASN 532 -0.527 8.332 -8.794 62 HB2 ASN 532 1HB ASN 532 1.144 9.321 -10.204 63 HB3 ASN 532 2HB ASN 532 -0.166 10.464 -9.966 64 HD21 ASN 532 1HD2 ASN 532 2.971 10.632 -10.544 65 HD22 ASN 532 2HD2 ASN 532 3.378 11.964 -9.493 66 H LEU 533 H LEU 533 1.446 7.103 -9.059 67 HA LEU 533 HA LEU 533 2.523 5.958 -6.814 68 HG LEU 533 HG LEU 533 4.921 4.296 -9.340 69 HB2 LEU 533 1HB LEU 533 2.733 4.983 -8.969 70 HB3 LEU 533 2HB LEU 533 3.601 6.346 -9.624 71 HD11 LEU 533 1HD1 LEU 533 6.268 6.362 -7.614 72 HD12 LEU 533 2HD1 LEU 533 6.901 5.382 -8.941 73 HD13 LEU 533 3HD1 LEU 533 5.850 6.724 -9.310 74 HD21 LEU 533 3HD2 LEU 533 5.754 3.563 -7.163 75 HD22 LEU 533 1HD2 LEU 533 4.773 4.774 -6.337 76 HD23 LEU 533 2HD2 LEU 533 3.991 3.456 -7.227 77 H ARG 534 H ARG 534 3.901 8.758 -8.538 78 HA ARG 534 HA ARG 534 6.309 8.881 -6.979 79 HE ARG 534 HE ARG 534 8.507 9.986 -11.493 80 HB2 ARG 534 1HB ARG 534 4.869 11.128 -8.459 81 HB3 ARG 534 2HB ARG 534 6.510 11.175 -7.951 82 HG2 ARG 534 1HG ARG 534 5.521 9.034 -9.898 83 HG3 ARG 534 2HG ARG 534 5.981 10.628 -10.440 84 HD2 ARG 534 1HD ARG 534 8.032 9.406 -8.675 85 HD3 ARG 534 2HD ARG 534 7.671 8.433 -10.106 86 HH11 ARG 534 2HH2 ARG 534 8.507 11.472 -8.235 87 HH12 ARG 534 1HH2 ARG 534 8.428 13.080 -8.880 88 HH21 ARG 534 2HH1 ARG 534 8.889 12.116 -12.247 89 HH22 ARG 534 1HH1 ARG 534 9.016 13.443 -11.151 90 H GLU 535 H GLU 535 3.053 10.494 -6.574 91 HA GLU 535 HA GLU 535 3.849 12.190 -4.496 92 HB2 GLU 535 1HB GLU 535 1.258 11.214 -5.575 93 HB3 GLU 535 2HB GLU 535 1.271 11.522 -3.850 94 HG2 GLU 535 1HG GLU 535 2.452 13.782 -4.523 95 HG3 GLU 535 2HG GLU 535 1.677 13.481 -6.068 96 H MET 536 H MET 536 2.518 8.851 -4.497 97 HA MET 536 HA MET 536 2.352 8.567 -1.678 98 HB2 MET 536 1HB MET 536 2.958 6.441 -3.773 99 HB3 MET 536 2HB MET 536 2.543 6.117 -2.085 100 HG2 MET 536 1HG MET 536 0.359 7.184 -2.376 101 HG3 MET 536 2HG MET 536 0.759 7.599 -4.025 102 HE1 MET 536 3HE MET 536 0.814 4.337 -1.630 103 HE2 MET 536 1HE MET 536 -0.637 5.379 -1.608 104 HE3 MET 536 2HE MET 536 -0.734 3.775 -2.319 105 H LEU 537 H LEU 537 5.038 7.817 -3.883 106 HA LEU 537 HA LEU 537 6.799 6.682 -1.966 107 HG LEU 537 HG LEU 537 8.952 6.106 -2.984 108 HB2 LEU 537 1HB LEU 537 6.785 7.239 -4.761 109 HB3 LEU 537 2HB LEU 537 8.139 8.154 -4.115 110 HD11 LEU 537 1HD1 LEU 537 6.551 4.926 -3.192 111 HD12 LEU 537 2HD1 LEU 537 7.223 4.332 -4.709 112 HD13 LEU 537 3HD1 LEU 537 8.024 4.007 -3.128 113 HD21 LEU 537 3HD2 LEU 537 9.834 6.810 -5.174 114 HD22 LEU 537 1HD2 LEU 537 9.746 5.037 -5.135 115 HD23 LEU 537 2HD2 LEU 537 8.509 5.994 -6.003 116 H ALA 538 H ALA 538 6.679 10.041 -3.180 117 HA ALA 538 HA ALA 538 8.628 11.076 -1.365 118 HB1 ALA 538 1HB ALA 538 7.881 12.354 -3.318 119 HB2 ALA 538 2HB ALA 538 6.201 12.354 -2.734 120 HB3 ALA 538 3HB ALA 538 7.437 13.261 -1.856 121 H HIS 539 H HIS 539 5.134 10.557 -1.078 122 HA HIS 539 HA HIS 539 4.727 11.983 1.328 123 HD1 HIS 539 1HD HIS 539 2.184 13.136 0.687 124 HD2 HIS 539 2HD HIS 539 1.819 9.654 3.068 125 HE1 HIS 539 1HE HIS 539 0.619 13.750 2.586 126 HE2 HIS 539 2HE HIS 539 0.317 11.636 4.055 127 HB2 HIS 539 1HB HIS 539 2.973 10.842 -0.307 128 HB3 HIS 539 2HB HIS 539 3.115 9.450 0.743 129 H ALA 540 H ALA 540 5.220 8.508 0.809 130 HA ALA 540 HA ALA 540 5.187 7.711 3.531 131 HB1 ALA 540 1HB ALA 540 4.936 6.205 1.534 132 HB2 ALA 540 2HB ALA 540 6.672 6.440 1.209 133 HB3 ALA 540 3HB ALA 540 6.134 5.646 2.712 134 H GLU 541 H GLU 541 8.020 8.823 1.396 135 HA GLU 541 HA GLU 541 9.868 8.482 3.389 136 HB2 GLU 541 1HB GLU 541 9.803 9.144 0.693 137 HB3 GLU 541 2HB GLU 541 10.147 10.724 1.399 138 HG2 GLU 541 1HG GLU 541 11.762 9.340 2.926 139 HG3 GLU 541 2HG GLU 541 11.697 8.161 1.647 140 H GLU 542 H GLU 542 7.866 11.354 2.580 141 HA GLU 542 HA GLU 542 9.208 13.112 4.390 142 HB2 GLU 542 1HB GLU 542 7.819 13.792 2.392 143 HB3 GLU 542 2HB GLU 542 6.361 13.370 3.305 144 HG2 GLU 542 1HG GLU 542 7.133 15.006 5.095 145 HG3 GLU 542 2HG GLU 542 8.475 15.431 4.036 146 H THR 543 H THR 543 6.007 11.534 4.604 147 HA THR 543 HA THR 543 5.671 12.228 7.412 148 HB THR 543 HB THR 543 3.532 11.070 7.207 149 HG1 THR 543 1HG THR 543 4.437 10.354 4.607 150 HG21 THR 543 3HG2 THR 543 3.993 12.725 4.683 151 HG22 THR 543 1HG2 THR 543 2.458 12.423 5.527 152 HG23 THR 543 2HG2 THR 543 3.710 13.392 6.300 153 H ARG 544 H ARG 544 7.475 9.816 5.958 154 HA ARG 544 HA ARG 544 8.412 7.879 6.588 155 HE ARG 544 HE ARG 544 11.907 9.857 9.104 156 HB2 ARG 544 1HB ARG 544 7.940 9.186 9.215 157 HB3 ARG 544 2HB ARG 544 8.103 7.449 9.276 158 HG2 ARG 544 1HG ARG 544 10.230 8.554 9.603 159 HG3 ARG 544 2HG ARG 544 10.266 7.526 8.165 160 HD2 ARG 544 1HD ARG 544 10.302 9.304 6.687 161 HD3 ARG 544 2HD ARG 544 9.671 10.466 7.859 162 HH11 ARG 544 2HH2 ARG 544 11.590 10.403 5.632 163 HH12 ARG 544 1HH2 ARG 544 13.280 10.743 5.357 164 HH21 ARG 544 2HH1 ARG 544 14.121 10.231 8.808 165 HH22 ARG 544 1HH1 ARG 544 14.773 10.525 7.226 166 H LYS 545 H LYS 545 5.177 8.135 6.314 167 HA LYS 545 HA LYS 545 4.323 6.015 7.979 168 HB2 LYS 545 1HB LYS 545 2.952 7.340 5.604 169 HB3 LYS 545 2HB LYS 545 2.197 6.041 6.543 170 HG2 LYS 545 1HG LYS 545 2.494 7.277 8.626 171 HG3 LYS 545 2HG LYS 545 3.270 8.612 7.756 172 HD2 LYS 545 1HD LYS 545 1.217 9.219 6.661 173 HD3 LYS 545 2HD LYS 545 0.423 7.726 7.196 174 HE2 LYS 545 1HE LYS 545 -0.293 9.619 8.603 175 HE3 LYS 545 2HE LYS 545 0.585 8.401 9.538 176 HZ1 LYS 545 3HZ LYS 545 1.628 11.021 8.663 177 HZ2 LYS 545 1HZ LYS 545 1.320 10.501 10.194 178 HZ3 LYS 545 2HZ LYS 545 2.550 9.827 9.404 179 H LEU 546 H LEU 546 3.578 4.052 7.640 180 HA LEU 546 HA LEU 546 5.301 2.330 6.255 181 HG LEU 546 HG LEU 546 3.283 -0.180 6.504 182 HB2 LEU 546 1HB LEU 546 4.317 1.911 8.438 183 HB3 LEU 546 2HB LEU 546 2.702 1.860 7.735 184 HD11 LEU 546 1HD1 LEU 546 5.418 -1.436 7.131 185 HD12 LEU 546 2HD1 LEU 546 5.717 0.006 6.164 186 HD13 LEU 546 3HD1 LEU 546 5.982 0.020 7.921 187 HD21 LEU 546 3HD2 LEU 546 2.329 -0.317 8.796 188 HD22 LEU 546 1HD2 LEU 546 3.409 -1.681 8.484 189 HD23 LEU 546 2HD2 LEU 546 3.960 -0.324 9.479 190 H MET 547 H MET 547 5.302 1.601 4.284 191 HA MET 547 HA MET 547 2.822 1.529 2.634 192 HB2 MET 547 1HB MET 547 4.285 3.428 2.178 193 HB3 MET 547 2HB MET 547 5.673 2.384 1.963 194 HG2 MET 547 1HG MET 547 4.995 1.635 -0.120 195 HG3 MET 547 2HG MET 547 3.275 1.842 0.242 196 HE1 MET 547 3HE MET 547 4.184 4.254 -2.872 197 HE2 MET 547 1HE MET 547 4.854 2.659 -2.459 198 HE3 MET 547 2HE MET 547 3.093 2.938 -2.369 199 HA PRO 548 HA PRO 548 4.672 -2.624 2.276 200 HB2 PRO 548 1HB PRO 548 2.332 -3.960 1.477 201 HB3 PRO 548 2HB PRO 548 2.919 -3.809 3.153 202 HG2 PRO 548 1HG PRO 548 0.868 -2.168 1.685 203 HG3 PRO 548 2HG PRO 548 0.830 -2.774 3.370 204 HD2 PRO 548 1HD PRO 548 1.482 -0.181 2.776 205 HD3 PRO 548 2HD PRO 548 2.272 -1.048 4.107 206 H ILE 549 H ILE 549 5.076 -4.022 0.422 207 HA ILE 549 HA ILE 549 4.220 -2.897 -2.191 208 HB ILE 549 HB ILE 549 7.073 -3.785 -1.776 209 HG12 ILE 549 1HG1 ILE 549 7.585 -1.252 -1.920 210 HG13 ILE 549 2HG1 ILE 549 5.973 -1.021 -1.270 211 HG21 ILE 549 1HG2 ILE 549 6.161 -3.762 -4.088 212 HG22 ILE 549 2HG2 ILE 549 5.836 -2.020 -3.897 213 HG23 ILE 549 3HG2 ILE 549 7.504 -2.666 -3.835 214 HD11 ILE 549 3HD1 ILE 549 6.674 -1.736 0.767 215 HD12 ILE 549 1HD1 ILE 549 7.529 -3.129 0.159 216 HD13 ILE 549 2HD1 ILE 549 8.319 -1.556 0.115 217 H CYS 550 H CYS 550 3.431 -4.536 -3.483 218 HA CYS 550 HA CYS 550 3.923 -7.341 -2.912 219 HG CYS 550 HG CYS 550 2.891 -9.088 -4.443 220 HB2 CYS 550 1HB CYS 550 2.087 -5.879 -4.510 221 HB3 CYS 550 2HB CYS 550 3.113 -6.667 -5.693 222 H MET 551 H MET 551 6.025 -8.096 -3.176 223 HA MET 551 HA MET 551 8.013 -7.053 -4.872 224 HB2 MET 551 1HB MET 551 7.553 -9.935 -3.956 225 HB3 MET 551 2HB MET 551 9.003 -9.359 -4.790 226 HG2 MET 551 1HG MET 551 9.014 -7.565 -2.876 227 HG3 MET 551 2HG MET 551 8.060 -8.772 -2.005 228 HE1 MET 551 3HE MET 551 9.467 -9.449 -0.175 229 HE2 MET 551 1HE MET 551 11.163 -9.993 -0.226 230 HE3 MET 551 2HE MET 551 10.761 -8.277 -0.436 231 H ASP 552 H ASP 552 5.386 -9.164 -5.599 232 HA ASP 552 HA ASP 552 6.048 -10.344 -8.049 233 HB2 ASP 552 1HB ASP 552 3.978 -10.703 -6.799 234 HB3 ASP 552 2HB ASP 552 3.374 -9.105 -7.269 235 H VAL 553 H VAL 553 4.912 -6.983 -7.490 236 HA VAL 553 HA VAL 553 4.784 -6.531 -10.374 237 HB VAL 553 HB VAL 553 4.253 -4.596 -8.081 238 HG11 VAL 553 1HG1 VAL 553 3.634 -4.484 -11.078 239 HG12 VAL 553 2HG1 VAL 553 2.981 -3.366 -9.873 240 HG13 VAL 553 3HG1 VAL 553 4.714 -3.422 -10.186 241 HG21 VAL 553 3HG2 VAL 553 2.383 -6.364 -9.729 242 HG22 VAL 553 1HG2 VAL 553 2.671 -6.457 -7.987 243 HG23 VAL 553 2HG2 VAL 553 1.856 -5.040 -8.664 244 H ARG 554 H ARG 554 6.830 -7.009 -10.872 245 HA ARG 554 HA ARG 554 9.162 -5.811 -9.907 246 HE ARG 554 HE ARG 554 8.112 -9.393 -12.865 247 HB2 ARG 554 1HB ARG 554 8.490 -6.917 -12.651 248 HB3 ARG 554 2HB ARG 554 10.123 -6.397 -12.186 249 HG2 ARG 554 1HG ARG 554 10.108 -7.907 -10.256 250 HG3 ARG 554 2HG ARG 554 8.491 -8.483 -10.659 251 HD2 ARG 554 1HD ARG 554 10.926 -8.795 -12.445 252 HD3 ARG 554 2HD ARG 554 10.309 -10.014 -11.312 253 HH11 ARG 554 2HH2 ARG 554 11.310 -10.929 -13.265 254 HH12 ARG 554 1HH2 ARG 554 10.819 -11.761 -14.729 255 HH21 ARG 554 2HH1 ARG 554 7.515 -10.609 -14.811 256 HH22 ARG 554 1HH1 ARG 554 8.722 -11.655 -15.497 257 H ALA 555 H ALA 555 6.779 -4.558 -12.141 258 HA ALA 555 HA ALA 555 8.104 -2.229 -13.064 259 HB1 ALA 555 1HB ALA 555 5.169 -2.842 -12.501 260 HB2 ALA 555 2HB ALA 555 5.750 -1.462 -13.447 261 HB3 ALA 555 3HB ALA 555 6.034 -3.122 -14.022 262 H ILE 556 H ILE 556 6.647 -2.886 -9.873 263 HA ILE 556 HA ILE 556 6.813 -0.013 -9.122 264 HB ILE 556 HB ILE 556 5.583 -2.442 -7.772 265 HG12 ILE 556 1HG1 ILE 556 4.433 0.266 -8.618 266 HG13 ILE 556 2HG1 ILE 556 4.324 -1.196 -9.584 267 HG21 ILE 556 1HG2 ILE 556 6.714 -1.139 -6.016 268 HG22 ILE 556 2HG2 ILE 556 5.953 0.358 -6.604 269 HG23 ILE 556 3HG2 ILE 556 4.977 -0.935 -5.887 270 HD11 ILE 556 3HD1 ILE 556 2.985 -0.681 -6.909 271 HD12 ILE 556 1HD1 ILE 556 2.232 -0.952 -8.484 272 HD13 ILE 556 2HD1 ILE 556 3.064 -2.290 -7.665 273 H MET 557 H MET 557 8.078 -3.259 -8.237 274 HA MET 557 HA MET 557 9.989 -2.626 -6.331 275 HB2 MET 557 1HB MET 557 10.143 -4.529 -8.681 276 HB3 MET 557 2HB MET 557 11.392 -4.472 -7.466 277 HG2 MET 557 1HG MET 557 8.631 -4.821 -6.390 278 HG3 MET 557 2HG MET 557 9.230 -6.121 -7.413 279 HE1 MET 557 3HE MET 557 9.710 -4.060 -4.205 280 HE2 MET 557 1HE MET 557 11.159 -4.763 -3.454 281 HE3 MET 557 2HE MET 557 11.318 -3.746 -4.901 282 H ALA 558 H ALA 558 10.513 -2.503 -9.909 283 HA ALA 558 HA ALA 558 13.153 -1.545 -9.835 284 HB1 ALA 558 1HB ALA 558 12.667 -0.667 -12.111 285 HB2 ALA 558 2HB ALA 558 12.129 -2.347 -11.905 286 HB3 ALA 558 3HB ALA 558 10.942 -1.015 -11.877 287 H THR 559 H THR 559 10.098 0.314 -10.017 288 HA THR 559 HA THR 559 11.222 2.881 -10.124 289 HB THR 559 HB THR 559 8.652 1.592 -9.974 290 HG1 THR 559 1HG THR 559 9.394 2.871 -11.596 291 HG21 THR 559 3HG2 THR 559 8.302 2.457 -7.729 292 HG22 THR 559 1HG2 THR 559 8.715 4.096 -8.276 293 HG23 THR 559 2HG2 THR 559 7.280 3.232 -8.916 294 H ILE 560 H ILE 560 10.248 0.969 -7.240 295 HA ILE 560 HA ILE 560 11.017 3.032 -5.350 296 HB ILE 560 HB ILE 560 10.584 -0.013 -5.113 297 HG12 ILE 560 1HG1 ILE 560 8.848 2.422 -4.474 298 HG13 ILE 560 2HG1 ILE 560 8.594 1.308 -5.806 299 HG21 ILE 560 1HG2 ILE 560 12.055 0.811 -3.266 300 HG22 ILE 560 2HG2 ILE 560 10.826 2.032 -2.865 301 HG23 ILE 560 3HG2 ILE 560 10.479 0.300 -2.683 302 HD11 ILE 560 3HD1 ILE 560 8.224 -0.533 -4.181 303 HD12 ILE 560 1HD1 ILE 560 8.252 0.684 -2.880 304 HD13 ILE 560 2HD1 ILE 560 7.008 0.769 -4.130 305 H GLN 561 H GLN 561 12.698 0.163 -6.731 306 HA GLN 561 HA GLN 561 15.117 0.634 -5.239 307 HB2 GLN 561 1HB GLN 561 14.396 -1.138 -7.604 308 HB3 GLN 561 2HB GLN 561 16.025 -1.017 -6.945 309 HG2 GLN 561 1HG GLN 561 15.180 -1.583 -4.701 310 HG3 GLN 561 2HG GLN 561 13.590 -1.934 -5.383 311 HE21 GLN 561 1HE2 GLN 561 13.323 -4.157 -5.877 312 HE22 GLN 561 2HE2 GLN 561 14.646 -5.171 -6.438 313 H ARG 562 H ARG 562 13.853 2.371 -7.762 314 HA ARG 562 HA ARG 562 16.548 3.326 -8.668 315 HE ARG 562 HE ARG 562 15.738 4.391 -13.161 316 HB2 ARG 562 1HB ARG 562 13.754 4.384 -9.180 317 HB3 ARG 562 2HB ARG 562 15.227 5.211 -9.710 318 HG2 ARG 562 1HG ARG 562 15.902 3.207 -11.003 319 HG3 ARG 562 2HG ARG 562 14.431 2.394 -10.510 320 HD2 ARG 562 1HD ARG 562 13.745 3.162 -12.532 321 HD3 ARG 562 2HD ARG 562 13.214 4.499 -11.528 322 HH11 ARG 562 2HH2 ARG 562 13.104 6.404 -11.841 323 HH12 ARG 562 1HH2 ARG 562 13.791 7.865 -12.474 324 HH21 ARG 562 2HH1 ARG 562 16.392 6.177 -14.203 325 HH22 ARG 562 1HH1 ARG 562 15.509 7.677 -14.127 326 H LYS 563 H LYS 563 13.830 4.710 -6.726 327 HA LYS 563 HA LYS 563 15.528 6.814 -5.761 328 HB2 LYS 563 1HB LYS 563 12.950 6.812 -5.974 329 HB3 LYS 563 2HB LYS 563 12.913 5.882 -4.503 330 HG2 LYS 563 1HG LYS 563 13.667 7.627 -3.148 331 HG3 LYS 563 2HG LYS 563 14.526 8.441 -4.460 332 HD2 LYS 563 1HD LYS 563 12.584 9.391 -5.370 333 HD3 LYS 563 2HD LYS 563 11.516 8.263 -4.544 334 HE2 LYS 563 1HE LYS 563 11.376 10.568 -3.648 335 HE3 LYS 563 2HE LYS 563 11.746 9.340 -2.452 336 HZ1 LYS 563 3HZ LYS 563 12.987 11.282 -2.116 337 HZ2 LYS 563 1HZ LYS 563 14.032 10.068 -2.437 338 HZ3 LYS 563 2HZ LYS 563 13.705 11.256 -3.566 339 H TYR 564 H TYR 564 14.830 3.633 -4.464 340 HA TYR 564 HA TYR 564 16.626 4.193 -2.153 341 HD1 TYR 564 2HD TYR 564 14.973 5.232 0.260 342 HD2 TYR 564 1HD TYR 564 12.412 3.675 -2.887 343 HE1 TYR 564 2HE TYR 564 13.548 7.173 0.439 344 HE2 TYR 564 1HE TYR 564 10.888 5.566 -2.551 345 HH TYR 564 HH TYR 564 11.863 8.408 -0.636 346 HB2 TYR 564 1HB TYR 564 14.177 2.386 -2.203 347 HB3 TYR 564 2HB TYR 564 15.152 2.756 -0.818 348 H LYS 565 H LYS 565 18.261 3.431 -3.860 349 HA LYS 565 HA LYS 565 18.112 0.470 -4.083 350 HB2 LYS 565 1HB LYS 565 18.693 2.225 -6.065 351 HB3 LYS 565 2HB LYS 565 20.331 1.899 -5.459 352 HG2 LYS 565 1HG LYS 565 19.946 -0.517 -5.629 353 HG3 LYS 565 2HG LYS 565 18.254 -0.233 -6.033 354 HD2 LYS 565 1HD LYS 565 18.948 0.660 -8.240 355 HD3 LYS 565 2HD LYS 565 20.640 0.458 -7.774 356 HE2 LYS 565 1HE LYS 565 19.886 -1.443 -9.154 357 HE3 LYS 565 2HE LYS 565 20.381 -1.934 -7.524 358 HZ1 LYS 565 3HZ LYS 565 18.057 -2.092 -6.911 359 HZ2 LYS 565 1HZ LYS 565 17.601 -1.648 -8.443 360 HZ3 LYS 565 2HZ LYS 565 18.384 -3.071 -8.142 361 H GLY 566 H GLY 566 19.742 2.685 -2.021 362 HA2 GLY 566 1HA GLY 566 22.046 1.066 -1.492 363 HA3 GLY 566 2HA GLY 566 21.252 2.138 -0.335 364 H ILE 567 H ILE 567 18.670 0.959 -0.335 365 HA ILE 567 HA ILE 567 18.914 -1.159 1.504 366 HB ILE 567 HB ILE 567 17.206 0.418 1.585 367 HG12 ILE 567 1HG1 ILE 567 16.752 -2.069 2.215 368 HG13 ILE 567 2HG1 ILE 567 15.565 -0.784 2.322 369 HG21 ILE 567 1HG2 ILE 567 15.266 0.517 0.006 370 HG22 ILE 567 2HG2 ILE 567 16.802 1.105 -0.674 371 HG23 ILE 567 3HG2 ILE 567 16.171 -0.488 -1.125 372 HD11 ILE 567 3HD1 ILE 567 15.723 -2.564 -0.127 373 HD12 ILE 567 1HD1 ILE 567 14.726 -2.976 1.291 374 HD13 ILE 567 2HD1 ILE 567 14.397 -1.500 0.370 375 H LYS 568 H LYS 568 18.295 -3.331 1.390 376 HA LYS 568 HA LYS 568 18.352 -4.604 -1.317 377 HB2 LYS 568 1HB LYS 568 19.423 -5.522 1.386 378 HB3 LYS 568 2HB LYS 568 18.982 -6.665 0.130 379 HG2 LYS 568 1HG LYS 568 21.323 -6.309 0.006 380 HG3 LYS 568 2HG LYS 568 20.567 -5.672 -1.442 381 HD2 LYS 568 1HD LYS 568 22.385 -4.254 -0.759 382 HD3 LYS 568 2HD LYS 568 20.886 -3.371 -0.574 383 HE2 LYS 568 1HE LYS 568 20.947 -3.808 1.882 384 HE3 LYS 568 2HE LYS 568 22.413 -4.782 1.675 385 HZ1 LYS 568 3HZ LYS 568 22.161 -1.913 1.010 386 HZ2 LYS 568 1HZ LYS 568 22.904 -2.457 2.345 387 HZ3 LYS 568 2HZ LYS 568 23.533 -2.774 0.850 388 H ILE 569 H ILE 569 16.642 -6.119 -1.696 389 HA ILE 569 HA ILE 569 14.271 -5.473 -0.115 390 HB ILE 569 HB ILE 569 14.630 -7.238 -2.565 391 HG12 ILE 569 1HG1 ILE 569 15.339 -5.046 -3.209 392 HG13 ILE 569 2HG1 ILE 569 13.719 -5.316 -3.830 393 HG21 ILE 569 1HG2 ILE 569 12.583 -7.772 -1.447 394 HG22 ILE 569 2HG2 ILE 569 12.120 -6.061 -1.322 395 HG23 ILE 569 3HG2 ILE 569 12.201 -6.874 -2.903 396 HD11 ILE 569 3HD1 ILE 569 12.743 -3.892 -2.133 397 HD12 ILE 569 1HD1 ILE 569 14.299 -3.709 -1.306 398 HD13 ILE 569 2HD1 ILE 569 14.056 -3.016 -2.921 399 H GLN 570 H GLN 570 13.211 -6.769 1.260 400 HA GLN 570 HA GLN 570 13.884 -9.561 1.692 401 HB2 GLN 570 1HB GLN 570 14.458 -9.189 4.057 402 HB3 GLN 570 2HB GLN 570 15.563 -8.268 3.042 403 HG2 GLN 570 1HG GLN 570 13.568 -6.401 3.516 404 HG3 GLN 570 2HG GLN 570 13.519 -7.327 5.001 405 HE21 GLN 570 1HE2 GLN 570 15.577 -5.258 2.878 406 HE22 GLN 570 2HE2 GLN 570 16.700 -4.833 4.083 407 H GLU 571 H GLU 571 12.042 -10.656 2.689 408 HA GLU 571 HA GLU 571 9.593 -9.129 2.521 409 HB2 GLU 571 1HB GLU 571 10.431 -11.982 2.618 410 HB3 GLU 571 2HB GLU 571 9.071 -11.637 3.644 411 HG2 GLU 571 1HG GLU 571 8.188 -10.339 1.443 412 HG3 GLU 571 2HG GLU 571 9.277 -11.497 0.668 413 H GLY 572 H GLY 572 9.414 -7.652 4.186 414 HA2 GLY 572 1HA GLY 572 8.710 -8.125 6.760 415 HA3 GLY 572 2HA GLY 572 10.488 -8.212 6.839 416 H ILE 573 H ILE 573 9.947 -6.290 8.335 417 HA ILE 573 HA ILE 573 9.216 -3.784 7.106 418 HB ILE 573 HB ILE 573 10.427 -4.642 9.751 419 HG12 ILE 573 1HG1 ILE 573 7.978 -4.869 9.359 420 HG13 ILE 573 2HG1 ILE 573 8.413 -3.888 10.740 421 HG21 ILE 573 1HG2 ILE 573 10.345 -2.288 10.608 422 HG22 ILE 573 2HG2 ILE 573 11.629 -2.575 9.448 423 HG23 ILE 573 3HG2 ILE 573 10.180 -1.714 8.954 424 HD11 ILE 573 3HD1 ILE 573 7.843 -1.827 9.585 425 HD12 ILE 573 1HD1 ILE 573 7.577 -2.694 8.057 426 HD13 ILE 573 2HD1 ILE 573 6.497 -2.957 9.433 427 H VAL 574 H VAL 574 10.354 -2.411 6.094 428 HA VAL 574 HA VAL 574 13.325 -2.428 6.196 429 HB VAL 574 HB VAL 574 11.464 -2.105 3.809 430 HG11 VAL 574 1HG1 VAL 574 13.395 -1.590 2.514 431 HG12 VAL 574 2HG1 VAL 574 13.428 -0.488 3.852 432 HG13 VAL 574 3HG1 VAL 574 14.492 -1.905 3.890 433 HG21 VAL 574 3HG2 VAL 574 11.827 -4.441 4.249 434 HG22 VAL 574 1HG2 VAL 574 12.963 -4.020 2.962 435 HG23 VAL 574 2HG2 VAL 574 13.528 -4.164 4.633 436 H ASP 575 H ASP 575 13.166 -0.865 7.903 437 HA ASP 575 HA ASP 575 11.698 1.661 7.506 438 HB2 ASP 575 1HB ASP 575 13.776 0.631 9.519 439 HB3 ASP 575 2HB ASP 575 13.075 2.231 9.559 440 H TYR 576 H TYR 576 12.545 2.463 5.499 441 HA TYR 576 HA TYR 576 15.355 3.366 5.587 442 HD1 TYR 576 2HD TYR 576 17.715 1.971 4.732 443 HD2 TYR 576 1HD TYR 576 14.995 2.708 1.466 444 HE1 TYR 576 2HE TYR 576 19.611 2.722 3.351 445 HE2 TYR 576 1HE TYR 576 16.924 3.529 0.079 446 HH TYR 576 HH TYR 576 20.290 3.378 1.222 447 HB2 TYR 576 1HB TYR 576 15.394 1.054 4.678 448 HB3 TYR 576 2HB TYR 576 14.258 1.544 3.423 449 H GLY 577 H GLY 577 14.528 5.497 5.633 450 HA2 GLY 577 1HA GLY 577 14.194 7.473 4.290 451 HA3 GLY 577 2HA GLY 577 13.651 6.481 2.980 452 H VAL 578 H VAL 578 11.802 5.250 3.227 453 HA VAL 578 HA VAL 578 9.342 6.195 4.414 454 HB VAL 578 HB VAL 578 8.986 5.957 1.969 455 HG11 VAL 578 1HG1 VAL 578 10.967 6.247 1.333 456 HG12 VAL 578 2HG1 VAL 578 11.383 4.567 1.636 457 HG13 VAL 578 3HG1 VAL 578 10.072 5.119 0.416 458 HG21 VAL 578 3HG2 VAL 578 9.087 3.090 2.702 459 HG22 VAL 578 1HG2 VAL 578 7.713 4.137 3.034 460 HG23 VAL 578 2HG2 VAL 578 8.237 3.876 1.359 461 H ARG 579 H ARG 579 8.185 4.610 5.556 462 HA ARG 579 HA ARG 579 9.646 2.232 6.550 463 HE ARG 579 HE ARG 579 6.723 3.560 11.447 464 HB2 ARG 579 1HB ARG 579 6.982 3.564 7.064 465 HB3 ARG 579 2HB ARG 579 7.172 1.845 7.381 466 HG2 ARG 579 1HG ARG 579 9.341 2.719 8.748 467 HG3 ARG 579 2HG ARG 579 8.344 4.161 8.839 468 HD2 ARG 579 1HD ARG 579 6.440 2.475 9.509 469 HD3 ARG 579 2HD ARG 579 7.779 1.412 9.927 470 HH11 ARG 579 2HH2 ARG 579 9.894 2.144 10.684 471 HH12 ARG 579 1HH2 ARG 579 10.680 2.820 12.062 472 HH21 ARG 579 2HH1 ARG 579 7.701 4.170 13.458 473 HH22 ARG 579 1HH1 ARG 579 9.364 3.814 13.743 474 H PHE 580 H PHE 580 9.826 0.639 5.030 475 HA PHE 580 HA PHE 580 7.539 0.187 3.189 476 HD1 PHE 580 2HD PHE 580 7.383 0.336 0.878 477 HD2 PHE 580 1HD PHE 580 11.368 1.630 1.863 478 HE1 PHE 580 2HE PHE 580 7.311 1.890 -1.011 479 HE2 PHE 580 1HE PHE 580 11.088 3.402 0.100 480 HZ PHE 580 HZ PHE 580 9.248 3.410 -1.420 481 HB2 PHE 580 1HB PHE 580 10.510 -0.278 2.960 482 HB3 PHE 580 2HB PHE 580 9.405 -1.286 2.043 483 H PHE 581 H PHE 581 6.903 -2.021 2.823 484 HA PHE 581 HA PHE 581 7.923 -4.083 4.658 485 HD1 PHE 581 1HD PHE 581 7.187 -4.872 7.116 486 HD2 PHE 581 2HD PHE 581 3.749 -5.466 4.581 487 HE1 PHE 581 1HE PHE 581 6.690 -6.982 8.284 488 HE2 PHE 581 2HE PHE 581 3.143 -7.480 5.913 489 HZ PHE 581 HZ PHE 581 4.697 -8.286 7.693 490 HB2 PHE 581 1HB PHE 581 6.032 -2.995 5.775 491 HB3 PHE 581 2HB PHE 581 5.011 -3.432 4.411 492 H PHE 582 H PHE 582 8.751 -5.226 2.852 493 HA PHE 582 HA PHE 582 7.144 -5.494 0.391 494 HD1 PHE 582 1HD PHE 582 8.867 -4.932 -1.844 495 HD2 PHE 582 2HD PHE 582 10.944 -4.937 1.928 496 HE1 PHE 582 1HE PHE 582 9.895 -2.714 -2.393 497 HE2 PHE 582 2HE PHE 582 12.038 -2.784 1.311 498 HZ PHE 582 HZ PHE 582 11.528 -1.689 -0.842 499 HB2 PHE 582 1HB PHE 582 9.682 -6.914 1.181 500 HB3 PHE 582 2HB PHE 582 8.915 -6.954 -0.400 501 H TYR 583 H TYR 583 5.900 -7.193 -0.205 502 HA TYR 583 HA TYR 583 5.823 -9.647 1.379 503 HD1 TYR 583 2HD TYR 583 3.631 -5.952 0.981 504 HD2 TYR 583 1HD TYR 583 1.987 -9.770 -0.127 505 HE1 TYR 583 2HE TYR 583 2.118 -4.834 -0.647 506 HE2 TYR 583 1HE TYR 583 0.580 -8.713 -1.807 507 HH TYR 583 HH TYR 583 0.398 -6.729 -3.082 508 HB2 TYR 583 1HB TYR 583 3.496 -9.588 1.752 509 HB3 TYR 583 2HB TYR 583 4.094 -8.037 2.319 510 H THR 584 H THR 584 3.969 -11.059 0.052 511 HA THR 584 HA THR 584 4.956 -11.005 -2.755 512 HB THR 584 HB THR 584 4.765 -13.585 -2.303 513 HG1 THR 584 1HG THR 584 5.441 -12.756 0.344 514 HG21 THR 584 3HG2 THR 584 7.008 -11.899 -1.125 515 HG22 THR 584 1HG2 THR 584 7.092 -13.640 -1.483 516 HG23 THR 584 2HG2 THR 584 6.889 -12.463 -2.793 517 H SER 585 H SER 585 3.512 -11.897 -4.422 518 HA SER 585 HA SER 585 0.822 -10.963 -3.891 519 HG SER 585 HG SER 585 2.417 -12.238 -7.416 520 HB2 SER 585 1HB SER 585 0.442 -11.484 -6.247 521 HB3 SER 585 2HB SER 585 1.903 -10.557 -6.014 522 H LYS 586 H LYS 586 2.353 -14.097 -3.826 523 HA LYS 586 HA LYS 586 -0.086 -15.636 -4.006 524 HB2 LYS 586 1HB LYS 586 2.723 -16.318 -3.076 525 HB3 LYS 586 2HB LYS 586 1.378 -17.448 -2.916 526 HG2 LYS 586 1HG LYS 586 0.916 -16.967 -5.417 527 HG3 LYS 586 2HG LYS 586 2.525 -16.267 -5.477 528 HD2 LYS 586 1HD LYS 586 2.084 -19.097 -4.409 529 HD3 LYS 586 2HD LYS 586 2.018 -18.767 -6.128 530 HE2 LYS 586 1HE LYS 586 4.163 -19.501 -5.807 531 HE3 LYS 586 2HE LYS 586 4.320 -17.755 -6.018 532 HZ1 LYS 586 3HZ LYS 586 5.634 -18.917 -4.210 533 HZ2 LYS 586 1HZ LYS 586 4.907 -17.528 -3.798 534 HZ3 LYS 586 2HZ LYS 586 4.261 -18.983 -3.321 535 H GLU 587 H GLU 587 1.301 -13.779 -1.406 536 HA GLU 587 HA GLU 587 0.168 -15.266 0.704 537 HB2 GLU 587 1HB GLU 587 1.877 -13.075 0.488 538 HB3 GLU 587 2HB GLU 587 0.421 -12.326 1.133 539 HG2 GLU 587 1HG GLU 587 1.638 -12.913 3.022 540 HG3 GLU 587 2HG GLU 587 0.482 -14.219 2.916 541 HA PRO 588 HA PRO 588 -4.147 -14.267 0.135 542 HB2 PRO 588 1HB PRO 588 -4.717 -14.275 3.020 543 HB3 PRO 588 2HB PRO 588 -5.202 -15.466 1.784 544 HG2 PRO 588 1HG PRO 588 -3.337 -15.998 3.775 545 HG3 PRO 588 2HG PRO 588 -3.372 -16.794 2.181 546 HD2 PRO 588 1HD PRO 588 -1.678 -14.483 3.097 547 HD3 PRO 588 2HD PRO 588 -1.184 -15.897 2.134 548 H VAL 589 H VAL 589 -5.030 -12.234 -0.212 549 HA VAL 589 HA VAL 589 -4.148 -9.795 0.766 550 HB VAL 589 HB VAL 589 -7.110 -10.486 0.341 551 HG11 VAL 589 1HG1 VAL 589 -5.598 -7.852 -0.041 552 HG12 VAL 589 2HG1 VAL 589 -7.337 -8.133 -0.300 553 HG13 VAL 589 3HG1 VAL 589 -6.663 -8.231 1.321 554 HG21 VAL 589 3HG2 VAL 589 -6.828 -9.783 -1.992 555 HG22 VAL 589 1HG2 VAL 589 -5.093 -9.572 -1.712 556 HG23 VAL 589 2HG2 VAL 589 -5.838 -11.195 -1.661 557 H ALA 590 H ALA 590 -6.516 -11.994 2.315 558 HA ALA 590 HA ALA 590 -7.225 -10.211 4.424 559 HB1 ALA 590 1HB ALA 590 -8.113 -12.216 5.527 560 HB2 ALA 590 2HB ALA 590 -8.552 -12.170 3.806 561 HB3 ALA 590 3HB ALA 590 -7.258 -13.253 4.369 562 H SER 591 H SER 591 -4.640 -12.763 4.288 563 HA SER 591 HA SER 591 -4.058 -12.313 7.099 564 HG SER 591 HG SER 591 -2.056 -14.958 7.314 565 HB2 SER 591 1HB SER 591 -3.635 -14.481 5.592 566 HB3 SER 591 2HB SER 591 -2.037 -13.724 5.429 567 H ILE 592 H ILE 592 -2.571 -11.245 3.917 568 HA ILE 592 HA ILE 592 -0.542 -9.907 5.110 569 HB ILE 592 HB ILE 592 -1.446 -10.391 2.532 570 HG12 ILE 592 1HG1 ILE 592 0.798 -10.617 3.446 571 HG13 ILE 592 2HG1 ILE 592 0.790 -9.767 1.911 572 HG21 ILE 592 1HG2 ILE 592 -1.148 -7.393 2.761 573 HG22 ILE 592 2HG2 ILE 592 -1.091 -8.353 1.272 574 HG23 ILE 592 3HG2 ILE 592 -2.592 -8.297 2.231 575 HD11 ILE 592 3HD1 ILE 592 1.174 -7.639 2.988 576 HD12 ILE 592 1HD1 ILE 592 0.816 -8.312 4.583 577 HD13 ILE 592 2HD1 ILE 592 2.292 -8.801 3.747 578 H ILE 593 H ILE 593 -3.867 -8.775 4.590 579 HA ILE 593 HA ILE 593 -3.601 -6.169 5.637 580 HB ILE 593 HB ILE 593 -5.872 -8.138 5.363 581 HG12 ILE 593 1HG1 ILE 593 -5.258 -5.389 4.214 582 HG13 ILE 593 2HG1 ILE 593 -4.936 -6.908 3.394 583 HG21 ILE 593 1HG2 ILE 593 -7.427 -6.328 6.111 584 HG22 ILE 593 2HG2 ILE 593 -6.462 -7.003 7.410 585 HG23 ILE 593 3HG2 ILE 593 -6.022 -5.425 6.716 586 HD11 ILE 593 3HD1 ILE 593 -6.931 -6.071 2.435 587 HD12 ILE 593 1HD1 ILE 593 -7.443 -7.388 3.516 588 HD13 ILE 593 2HD1 ILE 593 -7.634 -5.682 4.006 589 H THR 594 H THR 594 -4.243 -9.266 7.330 590 HA THR 594 HA THR 594 -4.229 -8.276 9.950 591 HB THR 594 HB THR 594 -3.212 -11.015 9.182 592 HG1 THR 594 1HG THR 594 -5.101 -10.649 7.994 593 HG21 THR 594 3HG2 THR 594 -4.434 -11.696 11.204 594 HG22 THR 594 1HG2 THR 594 -3.268 -10.436 11.614 595 HG23 THR 594 2HG2 THR 594 -4.984 -10.027 11.442 596 H LYS 595 H LYS 595 -1.272 -8.729 7.830 597 HA LYS 595 HA LYS 595 0.467 -8.440 10.035 598 HB2 LYS 595 1HB LYS 595 0.871 -7.403 7.187 599 HB3 LYS 595 2HB LYS 595 2.095 -7.888 8.317 600 HG2 LYS 595 1HG LYS 595 0.123 -9.787 7.030 601 HG3 LYS 595 2HG LYS 595 1.732 -9.481 6.422 602 HD2 LYS 595 1HD LYS 595 1.093 -10.695 9.151 603 HD3 LYS 595 2HD LYS 595 1.495 -11.556 7.644 604 HE2 LYS 595 1HE LYS 595 3.576 -11.455 8.285 605 HE3 LYS 595 2HE LYS 595 3.514 -9.830 7.623 606 HZ1 LYS 595 3HZ LYS 595 4.503 -9.778 9.808 607 HZ2 LYS 595 1HZ LYS 595 3.053 -9.068 9.983 608 HZ3 LYS 595 2HZ LYS 595 3.273 -10.615 10.464 609 H LEU 596 H LEU 596 -1.454 -5.930 8.191 610 HA LEU 596 HA LEU 596 0.026 -3.830 9.529 611 HG LEU 596 HG LEU 596 -1.410 -2.681 6.367 612 HB2 LEU 596 1HB LEU 596 -2.659 -3.902 8.054 613 HB3 LEU 596 2HB LEU 596 -1.790 -2.468 8.573 614 HD11 LEU 596 1HD1 LEU 596 1.168 -3.963 7.257 615 HD12 LEU 596 2HD1 LEU 596 0.887 -2.645 6.103 616 HD13 LEU 596 3HD1 LEU 596 0.711 -2.349 7.846 617 HD21 LEU 596 3HD2 LEU 596 -0.343 -5.465 6.374 618 HD22 LEU 596 1HD2 LEU 596 -2.001 -4.995 5.930 619 HD23 LEU 596 2HD2 LEU 596 -0.624 -4.399 4.999 620 H ASN 597 H ASN 597 -3.066 -5.514 9.950 621 HA ASN 597 HA ASN 597 -4.342 -3.803 11.723 622 HB2 ASN 597 1HB ASN 597 -4.353 -6.858 11.843 623 HB3 ASN 597 2HB ASN 597 -5.515 -5.805 12.652 624 HD21 ASN 597 1HD2 ASN 597 -6.050 -7.865 10.518 625 HD22 ASN 597 2HD2 ASN 597 -6.809 -6.842 9.309 626 H SER 598 H SER 598 -2.183 -6.407 12.433 627 HA SER 598 HA SER 598 -2.194 -6.422 15.259 628 HG SER 598 HG SER 598 0.847 -7.728 12.885 629 HB2 SER 598 1HB SER 598 0.118 -7.447 14.983 630 HB3 SER 598 2HB SER 598 -1.117 -8.136 13.922 631 H LEU 599 H LEU 599 -0.206 -4.539 13.115 632 HA LEU 599 HA LEU 599 1.349 -3.176 15.118 633 HG LEU 599 HG LEU 599 1.376 -4.597 12.084 634 HB2 LEU 599 1HB LEU 599 0.873 -2.165 12.303 635 HB3 LEU 599 2HB LEU 599 2.304 -1.955 13.299 636 HD11 LEU 599 1HD1 LEU 599 3.208 -4.220 10.487 637 HD12 LEU 599 2HD1 LEU 599 2.026 -2.909 10.382 638 HD13 LEU 599 3HD1 LEU 599 3.573 -2.649 11.222 639 HD21 LEU 599 3HD2 LEU 599 2.743 -5.135 13.965 640 HD22 LEU 599 1HD2 LEU 599 3.765 -5.298 12.518 641 HD23 LEU 599 2HD2 LEU 599 3.924 -3.875 13.559 642 H ASN 600 H ASN 600 -1.620 -2.501 13.443 643 HA ASN 600 HA ASN 600 -3.137 -0.917 13.372 644 HB2 ASN 600 1HB ASN 600 -3.905 0.185 15.312 645 HB3 ASN 600 2HB ASN 600 -3.421 -1.457 15.707 646 HD21 ASN 600 1HD2 ASN 600 -2.178 1.992 15.878 647 HD22 ASN 600 2HD2 ASN 600 -1.291 1.670 17.361 648 H GLU 601 H GLU 601 -0.321 -0.319 12.514 649 HA GLU 601 HA GLU 601 0.079 2.434 13.088 650 HB2 GLU 601 1HB GLU 601 1.418 0.401 11.288 651 HB3 GLU 601 2HB GLU 601 1.849 2.103 11.126 652 HG2 GLU 601 1HG GLU 601 1.965 0.567 13.747 653 HG3 GLU 601 2HG GLU 601 3.333 0.801 12.681 654 HA PRO 602 HA PRO 602 -2.138 4.189 9.622 655 HB2 PRO 602 1HB PRO 602 -0.871 6.582 9.239 656 HB3 PRO 602 2HB PRO 602 -1.872 6.241 10.681 657 HG2 PRO 602 1HG PRO 602 1.135 6.207 10.431 658 HG3 PRO 602 2HG PRO 602 0.114 6.797 11.783 659 HD2 PRO 602 1HD PRO 602 1.365 4.302 11.680 660 HD3 PRO 602 2HD PRO 602 -0.052 4.681 12.689 661 H LEU 603 H LEU 603 -2.017 3.927 7.429 662 HA LEU 603 HA LEU 603 0.625 3.135 6.326 663 HG LEU 603 HG LEU 603 -1.809 1.713 7.973 664 HB2 LEU 603 1HB LEU 603 -2.014 2.031 5.354 665 HB3 LEU 603 2HB LEU 603 -0.444 1.305 5.270 666 HD11 LEU 603 1HD1 LEU 603 -3.463 0.647 6.661 667 HD12 LEU 603 2HD1 LEU 603 -2.337 -0.638 6.196 668 HD13 LEU 603 3HD1 LEU 603 -2.801 -0.421 7.897 669 HD21 LEU 603 3HD2 LEU 603 -0.440 -0.241 8.591 670 HD22 LEU 603 1HD2 LEU 603 0.253 -0.270 6.945 671 HD23 LEU 603 2HD2 LEU 603 0.539 1.113 8.024 672 H VAL 604 H VAL 604 0.858 3.266 3.956 673 HA VAL 604 HA VAL 604 -1.118 4.852 2.461 674 HB VAL 604 HB VAL 604 0.354 6.565 3.208 675 HG11 VAL 604 1HG1 VAL 604 2.763 5.045 2.197 676 HG12 VAL 604 2HG1 VAL 604 2.758 6.645 2.951 677 HG13 VAL 604 3HG1 VAL 604 2.324 5.225 3.906 678 HG21 VAL 604 3HG2 VAL 604 1.326 5.990 0.373 679 HG22 VAL 604 1HG2 VAL 604 -0.238 6.702 0.762 680 HG23 VAL 604 2HG2 VAL 604 1.252 7.549 1.225 681 H THR 605 H THR 605 -1.791 3.325 0.965 682 HA THR 605 HA THR 605 0.208 2.242 -0.768 683 HB THR 605 HB THR 605 0.484 0.758 1.246 684 HG1 THR 605 1HG THR 605 0.989 0.057 -0.850 685 HG21 THR 605 3HG2 THR 605 -1.783 0.584 2.080 686 HG22 THR 605 1HG2 THR 605 -2.316 -0.178 0.559 687 HG23 THR 605 2HG2 THR 605 -1.181 -1.024 1.599 688 H MET 606 H MET 606 -0.849 1.236 -2.624 689 HA MET 606 HA MET 606 -3.520 2.263 -3.147 690 HB2 MET 606 1HB MET 606 -3.040 1.402 -5.425 691 HB3 MET 606 2HB MET 606 -1.741 2.367 -4.808 692 HG2 MET 606 1HG MET 606 -0.308 0.749 -4.818 693 HG3 MET 606 2HG MET 606 -1.357 -0.438 -4.052 694 HE1 MET 606 3HE MET 606 -0.890 0.203 -8.590 695 HE2 MET 606 1HE MET 606 -1.562 1.471 -7.536 696 HE3 MET 606 2HE MET 606 0.121 0.929 -7.318 697 HA PRO 607 HA PRO 607 -5.827 -1.256 -2.111 698 HB2 PRO 607 1HB PRO 607 -7.277 -2.097 -4.330 699 HB3 PRO 607 2HB PRO 607 -7.694 -0.775 -3.221 700 HG2 PRO 607 1HG PRO 607 -6.744 -0.588 -5.996 701 HG3 PRO 607 2HG PRO 607 -7.447 0.681 -4.949 702 HD2 PRO 607 1HD PRO 607 -4.674 0.140 -5.600 703 HD3 PRO 607 2HD PRO 607 -5.292 1.526 -4.672 704 H ILE 608 H ILE 608 -4.628 -2.808 -1.464 705 HA ILE 608 HA ILE 608 -2.610 -4.188 -2.879 706 HB ILE 608 HB ILE 608 -4.056 -4.393 -0.245 707 HG12 ILE 608 1HG1 ILE 608 -2.516 -2.504 -0.551 708 HG13 ILE 608 2HG1 ILE 608 -2.156 -3.523 0.822 709 HG21 ILE 608 1HG2 ILE 608 -2.272 -5.985 0.605 710 HG22 ILE 608 2HG2 ILE 608 -3.452 -6.699 -0.495 711 HG23 ILE 608 3HG2 ILE 608 -1.828 -6.281 -1.085 712 HD11 ILE 608 3HD1 ILE 608 -0.672 -3.634 -1.825 713 HD12 ILE 608 1HD1 ILE 608 -0.118 -2.817 -0.359 714 HD13 ILE 608 2HD1 ILE 608 -0.300 -4.561 -0.343 715 H GLY 609 H GLY 609 -5.899 -5.181 -1.905 716 HA2 GLY 609 1HA GLY 609 -5.691 -7.706 -3.441 717 HA3 GLY 609 2HA GLY 609 -6.988 -7.229 -2.329 718 H TYR 610 H TYR 610 -5.482 -6.292 -5.369 719 HA TYR 610 HA TYR 610 -8.040 -5.746 -6.712 720 HD1 TYR 610 2HD TYR 610 -9.506 -4.285 -7.556 721 HD2 TYR 610 1HD TYR 610 -5.763 -2.365 -8.647 722 HE1 TYR 610 2HE TYR 610 -10.545 -3.384 -9.537 723 HE2 TYR 610 1HE TYR 610 -6.816 -1.580 -10.752 724 HH TYR 610 HH TYR 610 -9.741 -2.800 -11.849 725 HB2 TYR 610 1HB TYR 610 -7.287 -3.559 -5.836 726 HB3 TYR 610 2HB TYR 610 -5.790 -3.721 -6.752 727 H VAL 611 H VAL 611 -6.300 -4.874 -8.989 728 HA VAL 611 HA VAL 611 -5.514 -6.868 -10.450 729 HB VAL 611 HB VAL 611 -4.018 -4.306 -9.821 730 HG11 VAL 611 1HG1 VAL 611 -2.695 -4.517 -11.892 731 HG12 VAL 611 2HG1 VAL 611 -2.227 -5.732 -10.706 732 HG13 VAL 611 3HG1 VAL 611 -3.260 -6.195 -12.075 733 HG21 VAL 611 3HG2 VAL 611 -6.247 -4.253 -10.979 734 HG22 VAL 611 1HG2 VAL 611 -4.941 -3.584 -11.964 735 HG23 VAL 611 2HG2 VAL 611 -5.570 -5.234 -12.270 736 H THR 612 H THR 612 -3.270 -5.861 -7.727 737 HA THR 612 HA THR 612 -1.393 -7.912 -8.152 738 HB THR 612 HB THR 612 -1.021 -7.267 -5.561 739 HG1 THR 612 1HG THR 612 -2.726 -5.963 -5.088 740 HG21 THR 612 3HG2 THR 612 0.302 -5.355 -6.329 741 HG22 THR 612 1HG2 THR 612 0.440 -6.721 -7.447 742 HG23 THR 612 2HG2 THR 612 -0.584 -5.331 -7.874 743 H HIS 613 H HIS 613 -4.545 -8.438 -7.187 744 HA HIS 613 HA HIS 613 -3.846 -11.106 -6.368 745 HD1 HIS 613 1HD HIS 613 -3.239 -8.321 -3.749 746 HD2 HIS 613 2HD HIS 613 -4.021 -12.468 -3.324 747 HE1 HIS 613 1HE HIS 613 -1.523 -9.272 -2.065 748 HE2 HIS 613 2HE HIS 613 -2.006 -11.820 -1.879 749 HB2 HIS 613 1HB HIS 613 -5.700 -9.353 -4.778 750 HB3 HIS 613 2HB HIS 613 -5.782 -11.097 -4.728 751 H GLY 614 H GLY 614 -4.981 -9.510 -8.811 752 HA2 GLY 614 1HA GLY 614 -6.540 -9.734 -10.438 753 HA3 GLY 614 2HA GLY 614 -6.799 -11.380 -9.849 754 H PHE 615 H PHE 615 -7.462 -8.467 -7.879 755 HA PHE 615 HA PHE 615 -10.253 -9.442 -7.402 756 HD1 PHE 615 2HD PHE 615 -8.921 -10.904 -6.076 757 HD2 PHE 615 1HD PHE 615 -9.877 -7.636 -3.456 758 HE1 PHE 615 2HE PHE 615 -8.934 -12.439 -4.130 759 HE2 PHE 615 1HE PHE 615 -9.826 -9.130 -1.515 760 HZ PHE 615 HZ PHE 615 -9.361 -11.588 -1.853 761 HB2 PHE 615 1HB PHE 615 -8.249 -7.786 -5.985 762 HB3 PHE 615 2HB PHE 615 -9.933 -7.332 -5.782 763 H ASN 616 H ASN 616 -11.881 -8.045 -7.446 764 HA ASN 616 HA ASN 616 -11.746 -5.823 -9.411 765 HB2 ASN 616 1HB ASN 616 -14.297 -5.831 -9.153 766 HB3 ASN 616 2HB ASN 616 -13.621 -7.324 -9.783 767 HD21 ASN 616 1HD2 ASN 616 -15.976 -6.340 -7.608 768 HD22 ASN 616 2HD2 ASN 616 -15.958 -7.826 -6.704 769 H LEU 617 H LEU 617 -12.900 -3.871 -8.865 770 HA LEU 617 HA LEU 617 -11.483 -2.731 -6.738 771 HG LEU 617 HG LEU 617 -13.093 -0.085 -6.497 772 HB2 LEU 617 1HB LEU 617 -12.168 -1.684 -8.918 773 HB3 LEU 617 2HB LEU 617 -13.831 -1.611 -8.323 774 HD11 LEU 617 1HD1 LEU 617 -10.791 0.956 -6.693 775 HD12 LEU 617 2HD1 LEU 617 -10.738 -0.734 -6.189 776 HD13 LEU 617 3HD1 LEU 617 -10.359 -0.298 -7.866 777 HD21 LEU 617 3HD2 LEU 617 -13.826 0.660 -8.832 778 HD22 LEU 617 1HD2 LEU 617 -12.887 1.807 -7.895 779 HD23 LEU 617 2HD2 LEU 617 -12.109 0.866 -9.208 780 H GLU 618 H GLU 618 -14.949 -3.559 -6.971 781 HA GLU 618 HA GLU 618 -15.769 -2.737 -4.386 782 HB2 GLU 618 1HB GLU 618 -17.353 -3.484 -6.038 783 HB3 GLU 618 2HB GLU 618 -16.620 -5.092 -6.097 784 HG2 GLU 618 1HG GLU 618 -17.269 -5.396 -3.659 785 HG3 GLU 618 2HG GLU 618 -18.135 -3.854 -3.756 786 H GLU 619 H GLU 619 -14.496 -6.067 -5.362 787 HA GLU 619 HA GLU 619 -14.368 -7.004 -2.774 788 HB2 GLU 619 1HB GLU 619 -13.029 -7.621 -5.415 789 HB3 GLU 619 2HB GLU 619 -12.366 -8.398 -3.967 790 HG2 GLU 619 1HG GLU 619 -15.342 -8.426 -4.582 791 HG3 GLU 619 2HG GLU 619 -14.232 -9.613 -5.222 792 H ALA 620 H ALA 620 -11.768 -5.273 -4.531 793 HA ALA 620 HA ALA 620 -9.861 -5.300 -2.504 794 HB1 ALA 620 1HB ALA 620 -8.823 -3.499 -3.599 795 HB2 ALA 620 2HB ALA 620 -9.674 -4.332 -4.885 796 HB3 ALA 620 3HB ALA 620 -10.373 -2.838 -4.230 797 H ALA 621 H ALA 621 -12.559 -2.992 -2.847 798 HA ALA 621 HA ALA 621 -11.925 -1.424 -0.532 799 HB1 ALA 621 1HB ALA 621 -14.176 -0.521 -0.829 800 HB2 ALA 621 2HB ALA 621 -13.408 -0.694 -2.419 801 HB3 ALA 621 3HB ALA 621 -14.616 -1.872 -1.893 802 H ARG 622 H ARG 622 -14.177 -4.168 -1.088 803 HA ARG 622 HA ARG 622 -15.258 -4.215 1.562 804 HE ARG 622 HE ARG 622 -18.876 -5.693 1.119 805 HB2 ARG 622 1HB ARG 622 -15.050 -6.443 -0.516 806 HB3 ARG 622 2HB ARG 622 -15.943 -6.549 1.000 807 HG2 ARG 622 1HG ARG 622 -17.214 -4.410 0.196 808 HG3 ARG 622 2HG ARG 622 -16.538 -4.766 -1.388 809 HD2 ARG 622 1HD ARG 622 -18.638 -5.816 -1.422 810 HD3 ARG 622 2HD ARG 622 -17.505 -7.135 -1.119 811 HH11 ARG 622 2HH2 ARG 622 -18.496 -8.836 -0.570 812 HH12 ARG 622 1HH2 ARG 622 -19.083 -9.739 0.776 813 HH21 ARG 622 2HH1 ARG 622 -19.501 -6.874 2.861 814 HH22 ARG 622 1HH1 ARG 622 -19.640 -8.615 2.781 815 H CYS 623 H CYS 623 -12.492 -6.029 0.118 816 HA CYS 623 HA CYS 623 -11.875 -7.432 2.509 817 HG CYS 623 HG CYS 623 -9.311 -7.935 2.837 818 HB2 CYS 623 1HB CYS 623 -11.043 -7.770 0.048 819 HB3 CYS 623 2HB CYS 623 -9.785 -6.600 0.470 820 H MET 624 H MET 624 -11.120 -4.142 1.450 821 HA MET 624 HA MET 624 -9.082 -3.690 3.474 822 HB2 MET 624 1HB MET 624 -10.617 -1.858 1.625 823 HB3 MET 624 2HB MET 624 -9.832 -1.196 3.041 824 HG2 MET 624 1HG MET 624 -7.833 -2.812 1.907 825 HG3 MET 624 2HG MET 624 -8.636 -2.093 0.526 826 HE1 MET 624 3HE MET 624 -5.660 -1.458 0.758 827 HE2 MET 624 1HE MET 624 -6.644 -0.478 -0.333 828 HE3 MET 624 2HE MET 624 -5.543 0.353 0.774 829 H ARG 625 H ARG 625 -12.603 -3.983 3.813 830 HA ARG 625 HA ARG 625 -12.629 -2.604 6.370 831 HE ARG 625 HE ARG 625 -17.215 -2.927 7.249 832 HB2 ARG 625 1HB ARG 625 -14.362 -4.811 5.201 833 HB3 ARG 625 2HB ARG 625 -14.636 -4.057 6.768 834 HG2 ARG 625 1HG ARG 625 -14.633 -1.800 5.559 835 HG3 ARG 625 2HG ARG 625 -14.722 -2.745 4.052 836 HD2 ARG 625 1HD ARG 625 -16.935 -2.378 4.425 837 HD3 ARG 625 2HD ARG 625 -16.767 -3.908 5.263 838 HH11 ARG 625 2HH2 ARG 625 -16.870 -0.318 4.880 839 HH12 ARG 625 1HH2 ARG 625 -17.280 0.951 5.968 840 HH21 ARG 625 2HH1 ARG 625 -18.181 -1.387 8.524 841 HH22 ARG 625 1HH1 ARG 625 -18.511 0.176 7.876 842 H SER 626 H SER 626 -11.323 -5.768 5.389 843 HA SER 626 HA SER 626 -11.270 -6.805 8.084 844 HG SER 626 HG SER 626 -10.911 -9.147 5.354 845 HB2 SER 626 1HB SER 626 -9.409 -7.403 5.738 846 HB3 SER 626 2HB SER 626 -9.697 -8.405 7.164 847 H LEU 627 H LEU 627 -9.708 -4.117 6.613 848 HA LEU 627 HA LEU 627 -7.253 -4.165 8.120 849 HG LEU 627 HG LEU 627 -6.692 -1.190 8.157 850 HB2 LEU 627 1HB LEU 627 -7.712 -2.949 5.899 851 HB3 LEU 627 2HB LEU 627 -8.640 -1.791 6.856 852 HD11 LEU 627 1HD1 LEU 627 -4.405 -1.904 7.248 853 HD12 LEU 627 2HD1 LEU 627 -5.278 -3.069 8.228 854 HD13 LEU 627 3HD1 LEU 627 -5.256 -3.246 6.470 855 HD21 LEU 627 3HD2 LEU 627 -5.971 -0.897 5.193 856 HD22 LEU 627 1HD2 LEU 627 -7.329 -0.050 5.951 857 HD23 LEU 627 2HD2 LEU 627 -5.695 0.199 6.548 858 H LYS 628 H LYS 628 -6.941 -3.320 10.076 859 HA LYS 628 HA LYS 628 -9.158 -1.950 11.517 860 HB2 LYS 628 1HB LYS 628 -6.955 -3.699 12.635 861 HB3 LYS 628 2HB LYS 628 -8.314 -3.029 13.520 862 HG2 LYS 628 1HG LYS 628 -8.388 -5.151 11.347 863 HG3 LYS 628 2HG LYS 628 -8.737 -5.350 13.040 864 HD2 LYS 628 1HD LYS 628 -10.488 -3.640 11.277 865 HD3 LYS 628 2HD LYS 628 -10.674 -5.365 11.410 866 HE2 LYS 628 1HE LYS 628 -12.250 -4.275 12.804 867 HE3 LYS 628 2HE LYS 628 -11.132 -5.212 13.799 868 HZ1 LYS 628 3HZ LYS 628 -11.714 -2.954 14.636 869 HZ2 LYS 628 1HZ LYS 628 -10.105 -3.197 14.492 870 HZ3 LYS 628 2HZ LYS 628 -10.908 -2.270 13.392 871 H ALA 629 H ALA 629 -7.011 -0.576 9.856 872 HA ALA 629 HA ALA 629 -6.150 1.292 11.884 873 HB1 ALA 629 1HB ALA 629 -4.260 -0.404 11.606 874 HB2 ALA 629 2HB ALA 629 -4.141 0.105 9.908 875 HB3 ALA 629 3HB ALA 629 -3.831 1.265 11.215 876 HA PRO 630 HA PRO 630 -7.089 3.971 8.398 877 HB2 PRO 630 1HB PRO 630 -4.703 5.656 8.912 878 HB3 PRO 630 2HB PRO 630 -6.435 6.088 8.994 879 HG2 PRO 630 1HG PRO 630 -4.828 5.833 11.200 880 HG3 PRO 630 2HG PRO 630 -6.580 5.438 11.236 881 HD2 PRO 630 1HD PRO 630 -4.230 3.552 10.970 882 HD3 PRO 630 2HD PRO 630 -5.730 3.383 11.941 883 H ALA 631 H ALA 631 -6.528 3.984 6.216 884 HA ALA 631 HA ALA 631 -3.712 3.483 5.452 885 HB1 ALA 631 1HB ALA 631 -4.545 2.400 3.383 886 HB2 ALA 631 2HB ALA 631 -4.986 1.494 4.824 887 HB3 ALA 631 3HB ALA 631 -6.206 2.498 4.001 888 H VAL 632 H VAL 632 -3.388 4.328 3.244 889 HA VAL 632 HA VAL 632 -4.968 6.678 2.520 890 HB VAL 632 HB VAL 632 -2.014 6.599 2.962 891 HG11 VAL 632 1HG1 VAL 632 -3.475 8.730 1.383 892 HG12 VAL 632 2HG1 VAL 632 -1.769 8.656 1.855 893 HG13 VAL 632 3HG1 VAL 632 -2.394 7.520 0.656 894 HG21 VAL 632 3HG2 VAL 632 -2.478 8.697 4.153 895 HG22 VAL 632 1HG2 VAL 632 -4.184 8.580 3.661 896 HG23 VAL 632 2HG2 VAL 632 -3.492 7.397 4.795 897 H VAL 633 H VAL 633 -6.030 5.750 0.886 898 HA VAL 633 HA VAL 633 -4.653 3.623 -0.591 899 HB VAL 633 HB VAL 633 -5.950 2.722 0.603 900 HG11 VAL 633 1HG1 VAL 633 -7.312 4.295 1.617 901 HG12 VAL 633 2HG1 VAL 633 -8.539 3.863 0.349 902 HG13 VAL 633 3HG1 VAL 633 -7.900 2.648 1.439 903 HG21 VAL 633 3HG2 VAL 633 -7.590 1.491 -0.781 904 HG22 VAL 633 1HG2 VAL 633 -7.587 2.810 -1.940 905 HG23 VAL 633 2HG2 VAL 633 -6.113 1.852 -1.682 906 H SER 634 H SER 634 -3.833 4.255 -2.423 907 HA SER 634 HA SER 634 -4.910 6.564 -3.821 908 HG SER 634 HG SER 634 -2.720 6.199 -2.321 909 HB2 SER 634 1HB SER 634 -2.455 4.841 -4.243 910 HB3 SER 634 2HB SER 634 -2.834 6.319 -5.162 911 H VAL 635 H VAL 635 -6.832 5.991 -4.749 912 HA VAL 635 HA VAL 635 -6.880 3.845 -6.781 913 HB VAL 635 HB VAL 635 -9.187 4.480 -7.099 914 HG11 VAL 635 1HG1 VAL 635 -10.075 3.696 -4.914 915 HG12 VAL 635 2HG1 VAL 635 -8.602 2.805 -5.320 916 HG13 VAL 635 3HG1 VAL 635 -8.547 4.104 -4.121 917 HG21 VAL 635 3HG2 VAL 635 -10.377 6.025 -5.747 918 HG22 VAL 635 1HG2 VAL 635 -8.949 6.441 -4.793 919 HG23 VAL 635 2HG2 VAL 635 -9.052 6.918 -6.501 920 H SER 636 H SER 636 -8.191 4.666 -8.905 921 HA SER 636 HA SER 636 -6.140 5.786 -10.255 922 HG SER 636 HG SER 636 -8.427 3.608 -11.908 923 HB2 SER 636 1HB SER 636 -9.033 5.609 -11.167 924 HB3 SER 636 2HB SER 636 -7.623 5.760 -12.231 925 H SER 637 H SER 637 -9.088 7.572 -9.199 926 HA SER 637 HA SER 637 -7.901 10.163 -9.976 927 HG SER 637 HG SER 637 -10.841 8.604 -12.171 928 HB2 SER 637 1HB SER 637 -10.572 10.199 -10.914 929 HB3 SER 637 2HB SER 637 -9.108 10.421 -11.848 930 HA PRO 638 HA PRO 638 -9.959 11.461 -6.418 931 HB2 PRO 638 1HB PRO 638 -11.022 13.945 -7.031 932 HB3 PRO 638 2HB PRO 638 -9.317 13.599 -6.669 933 HG2 PRO 638 1HG PRO 638 -10.598 13.928 -9.382 934 HG3 PRO 638 2HG PRO 638 -8.973 14.458 -8.832 935 HD2 PRO 638 1HD PRO 638 -9.349 12.258 -10.339 936 HD3 PRO 638 2HD PRO 638 -8.044 12.384 -9.121 937 H ASP 639 H ASP 639 -12.193 11.885 -9.265 938 HA ASP 639 HA ASP 639 -14.526 11.507 -7.643 939 HB2 ASP 639 1HB ASP 639 -13.914 11.613 -10.531 940 HB3 ASP 639 2HB ASP 639 -15.192 10.469 -10.158 941 H ALA 640 H ALA 640 -12.137 9.240 -8.716 942 HA ALA 640 HA ALA 640 -13.771 6.836 -8.602 943 HB1 ALA 640 1HB ALA 640 -10.785 6.753 -8.284 944 HB2 ALA 640 2HB ALA 640 -11.850 5.751 -9.271 945 HB3 ALA 640 3HB ALA 640 -11.426 7.372 -9.818 946 H VAL 641 H VAL 641 -11.986 8.827 -6.292 947 HA VAL 641 HA VAL 641 -11.480 6.996 -4.182 948 HB VAL 641 HB VAL 641 -12.290 9.929 -4.117 949 HG11 VAL 641 1HG1 VAL 641 -11.023 10.051 -1.981 950 HG12 VAL 641 2HG1 VAL 641 -12.421 8.997 -1.869 951 HG13 VAL 641 3HG1 VAL 641 -10.793 8.295 -2.028 952 HG21 VAL 641 3HG2 VAL 641 -9.495 8.674 -4.104 953 HG22 VAL 641 1HG2 VAL 641 -10.228 9.482 -5.491 954 HG23 VAL 641 2HG2 VAL 641 -9.862 10.414 -4.043 955 H THR 642 H THR 642 -14.266 9.130 -4.788 956 HA THR 642 HA THR 642 -15.976 8.293 -2.806 957 HB THR 642 HB THR 642 -16.505 9.218 -5.646 958 HG1 THR 642 1HG THR 642 -16.350 11.172 -4.918 959 HG21 THR 642 3HG2 THR 642 -18.552 10.257 -4.391 960 HG22 THR 642 1HG2 THR 642 -18.615 8.526 -4.789 961 HG23 THR 642 2HG2 THR 642 -18.208 9.038 -3.146 962 H THR 643 H THR 643 -15.691 6.910 -6.175 963 HA THR 643 HA THR 643 -17.828 5.099 -5.929 964 HB THR 643 HB THR 643 -15.262 4.384 -7.358 965 HG1 THR 643 1HG THR 643 -17.129 6.337 -8.238 966 HG21 THR 643 3HG2 THR 643 -16.773 3.475 -9.068 967 HG22 THR 643 1HG2 THR 643 -17.121 2.785 -7.476 968 HG23 THR 643 2HG2 THR 643 -18.182 4.040 -8.143 969 H TYR 644 H TYR 644 -14.390 4.717 -5.002 970 HA TYR 644 HA TYR 644 -14.542 1.942 -4.341 971 HD1 TYR 644 1HD TYR 644 -11.899 0.646 -4.582 972 HD2 TYR 644 2HD TYR 644 -11.923 3.588 -1.443 973 HE1 TYR 644 1HE TYR 644 -10.453 -0.834 -3.155 974 HE2 TYR 644 2HE TYR 644 -10.466 2.161 -0.058 975 HH TYR 644 HH TYR 644 -9.344 0.126 0.072 976 HB2 TYR 644 1HB TYR 644 -12.490 3.002 -5.028 977 HB3 TYR 644 2HB TYR 644 -12.564 4.177 -3.727 978 H ASN 645 H ASN 645 -14.451 4.947 -2.256 979 HA ASN 645 HA ASN 645 -14.719 3.608 0.235 980 HB2 ASN 645 1HB ASN 645 -15.772 6.339 -0.603 981 HB3 ASN 645 2HB ASN 645 -15.776 5.692 1.027 982 HD21 ASN 645 1HD2 ASN 645 -13.890 7.208 -1.369 983 HD22 ASN 645 2HD2 ASN 645 -12.634 7.623 -0.236 984 H GLY 646 H GLY 646 -16.988 4.741 -2.211 985 HA2 GLY 646 1HA GLY 646 -19.553 4.291 -1.232 986 HA3 GLY 646 2HA GLY 646 -19.030 3.984 -2.888 987 H TYR 647 H TYR 647 -17.587 1.808 -2.978 988 HA TYR 647 HA TYR 647 -19.294 -0.365 -2.286 989 HD1 TYR 647 2HD TYR 647 -19.574 -0.546 -4.672 990 HD2 TYR 647 1HD TYR 647 -15.272 -0.272 -4.776 991 HE1 TYR 647 2HE TYR 647 -19.680 -0.072 -7.081 992 HE2 TYR 647 1HE TYR 647 -15.365 0.197 -7.184 993 HH TYR 647 HH TYR 647 -18.312 0.884 -8.962 994 HB2 TYR 647 1HB TYR 647 -16.303 -0.501 -2.724 995 HB3 TYR 647 2HB TYR 647 -17.458 -1.803 -2.920 996 H LEU 648 H LEU 648 -16.405 0.988 -0.694 997 HA LEU 648 HA LEU 648 -16.039 -0.789 1.350 998 HG LEU 648 HG LEU 648 -13.880 -0.269 1.605 999 HB2 LEU 648 1HB LEU 648 -14.957 1.586 0.563 1000 HB3 LEU 648 2HB LEU 648 -15.684 2.092 2.101 1001 HD11 LEU 648 1HD1 LEU 648 -12.611 1.750 1.185 1002 HD12 LEU 648 2HD1 LEU 648 -13.018 2.355 2.814 1003 HD13 LEU 648 3HD1 LEU 648 -12.034 0.873 2.620 1004 HD21 LEU 648 3HD2 LEU 648 -14.689 1.085 4.233 1005 HD22 LEU 648 1HD2 LEU 648 -15.227 -0.510 3.658 1006 HD23 LEU 648 2HD2 LEU 648 -13.533 -0.263 4.093 1007 H THR 649 H THR 649 -18.235 2.094 1.531 1008 HA THR 649 HA THR 649 -18.967 1.424 4.243 1009 HB THR 649 HB THR 649 -18.757 3.727 3.408 1010 HG1 THR 649 1HG THR 649 -21.196 2.868 4.501 1011 HG21 THR 649 3HG2 THR 649 -20.609 4.765 2.175 1012 HG22 THR 649 1HG2 THR 649 -19.747 3.570 1.197 1013 HG23 THR 649 2HG2 THR 649 -21.336 3.177 1.884 1014 H SER 650 H SER 650 -20.188 0.263 1.241 1015 HA SER 650 HA SER 650 -22.015 -0.800 0.567 1016 HG SER 650 HG SER 650 -20.985 -3.437 1.518 1017 HB2 SER 650 1HB SER 650 -22.052 -1.839 3.409 1018 HB3 SER 650 2HB SER 650 -22.825 -2.593 2.004 1019 H SER 651 H SER 651 -23.245 1.060 0.157 1020 HA SER 651 HA SER 651 -25.260 1.973 -0.128 1021 HG SER 651 HG SER 651 -25.976 -1.534 0.190 1022 HB2 SER 651 1HB SER 651 -26.298 -0.160 1.742 1023 HB3 SER 651 2HB SER 651 -27.217 0.748 0.533 Start of MODEL 11 1 H1 GLY -4 H GLY -4 -2.872 18.778 11.324 2 HA2 GLY -4 1HA GLY -4 -5.361 18.662 11.174 3 HA3 GLY -4 2HA GLY -4 -5.218 19.842 9.857 4 H SER -3 H SER -3 -5.541 16.530 10.441 5 HA SER -3 HA SER -3 -4.540 15.888 7.749 6 HG SER -3 HG SER -3 -1.941 16.037 9.060 7 HB2 SER -3 1HB SER -3 -3.762 14.080 10.036 8 HB3 SER -3 2HB SER -3 -3.049 14.198 8.423 9 H HIS -2 H HIS -2 -5.740 14.180 6.833 10 HA HIS -2 HA HIS -2 -7.554 12.574 8.544 11 HD1 HIS -2 1HD HIS -2 -10.497 15.019 5.644 12 HD2 HIS -2 2HD HIS -2 -8.939 14.339 9.511 13 HE1 HIS -2 1HE HIS -2 -11.759 16.594 7.241 14 HE2 HIS -2 2HE HIS -2 -10.838 16.190 9.574 15 HB2 HIS -2 1HB HIS -2 -8.138 13.694 5.766 16 HB3 HIS -2 2HB HIS -2 -9.124 12.488 6.579 17 H MET -1 H MET -1 -8.231 10.590 7.183 18 HA MET -1 HA MET -1 -6.107 9.491 5.442 19 HB2 MET -1 1HB MET -1 -7.291 8.416 8.014 20 HB3 MET -1 2HB MET -1 -6.951 7.284 6.728 21 HG2 MET -1 1HG MET -1 -5.106 7.261 8.172 22 HG3 MET -1 2HG MET -1 -4.596 8.015 6.666 23 HE1 MET -1 3HE MET -1 -2.386 8.669 7.924 24 HE2 MET -1 1HE MET -1 -2.325 9.642 9.418 25 HE3 MET -1 2HE MET -1 -2.993 7.996 9.457 26 H GLY 527 H GLY 527 -7.286 7.304 4.506 27 HA2 GLY 527 1HA GLY 527 -9.552 6.481 3.891 28 HA3 GLY 527 2HA GLY 527 -9.965 8.161 3.499 29 H THR 528 H THR 528 -10.464 6.912 1.368 30 HA THR 528 HA THR 528 -8.184 6.227 -0.232 31 HB THR 528 HB THR 528 -10.978 6.805 -1.239 32 HG1 THR 528 1HG THR 528 -10.130 4.650 0.362 33 HG21 THR 528 3HG2 THR 528 -8.848 4.775 -2.079 34 HG22 THR 528 1HG2 THR 528 -10.448 4.970 -2.804 35 HG23 THR 528 2HG2 THR 528 -9.264 6.269 -2.938 36 H VAL 529 H VAL 529 -7.128 7.492 -1.769 37 HA VAL 529 HA VAL 529 -8.089 10.218 -2.407 38 HB VAL 529 HB VAL 529 -5.774 11.048 -2.225 39 HG11 VAL 529 1HG1 VAL 529 -5.621 11.244 0.148 40 HG12 VAL 529 2HG1 VAL 529 -7.337 11.256 -0.296 41 HG13 VAL 529 3HG1 VAL 529 -6.619 9.793 0.418 42 HG21 VAL 529 3HG2 VAL 529 -4.043 9.750 -1.017 43 HG22 VAL 529 1HG2 VAL 529 -5.081 8.337 -1.030 44 HG23 VAL 529 2HG2 VAL 529 -4.469 9.005 -2.560 45 H SER 530 H SER 530 -6.418 11.039 -4.237 46 HA SER 530 HA SER 530 -5.981 8.864 -6.225 47 HG SER 530 HG SER 530 -7.835 11.628 -5.540 48 HB2 SER 530 1HB SER 530 -6.702 10.647 -7.951 49 HB3 SER 530 2HB SER 530 -7.933 9.754 -7.053 50 H TRP 531 H TRP 531 -3.832 8.940 -5.228 51 HA TRP 531 HA TRP 531 -2.187 11.290 -6.074 52 HD1 TRP 531 HD TRP 531 -3.433 12.356 -4.410 53 HE1 TRP 531 1HE TRP 531 -4.015 13.357 -2.192 54 HE3 TRP 531 3HE TRP 531 -0.309 9.586 -1.452 55 HZ2 TRP 531 2HZ TRP 531 -3.291 12.987 0.603 56 HZ3 TRP 531 3HZ TRP 531 -0.292 9.928 1.013 57 HH2 TRP 531 HH TRP 531 -1.821 11.594 2.053 58 HB2 TRP 531 1HB TRP 531 -1.622 9.106 -4.030 59 HB3 TRP 531 2HB TRP 531 -0.544 10.399 -4.468 60 H ASN 532 H ASN 532 0.014 10.649 -6.861 61 HA ASN 532 HA ASN 532 -0.132 8.160 -8.518 62 HB2 ASN 532 1HB ASN 532 2.288 9.847 -8.631 63 HB3 ASN 532 2HB ASN 532 1.543 8.856 -9.861 64 HD21 ASN 532 1HD2 ASN 532 2.654 11.173 -10.645 65 HD22 ASN 532 2HD2 ASN 532 1.498 12.423 -10.872 66 H LEU 533 H LEU 533 2.148 7.020 -8.587 67 HA LEU 533 HA LEU 533 2.911 6.061 -6.031 68 HG LEU 533 HG LEU 533 5.394 3.912 -7.916 69 HB2 LEU 533 1HB LEU 533 3.313 5.009 -8.317 70 HB3 LEU 533 2HB LEU 533 4.645 6.123 -8.535 71 HD11 LEU 533 1HD1 LEU 533 5.965 5.609 -5.499 72 HD12 LEU 533 2HD1 LEU 533 6.985 4.399 -6.257 73 HD13 LEU 533 3HD1 LEU 533 6.690 5.939 -7.090 74 HD21 LEU 533 3HD2 LEU 533 4.978 2.902 -5.736 75 HD22 LEU 533 1HD2 LEU 533 3.943 4.246 -5.267 76 HD23 LEU 533 2HD2 LEU 533 3.458 3.168 -6.598 77 H ARG 534 H ARG 534 4.417 8.548 -8.155 78 HA ARG 534 HA ARG 534 6.542 9.274 -6.569 79 HE ARG 534 HE ARG 534 4.075 13.362 -7.239 80 HB2 ARG 534 1HB ARG 534 6.255 11.654 -7.368 81 HB3 ARG 534 2HB ARG 534 6.599 10.385 -8.589 82 HG2 ARG 534 1HG ARG 534 4.479 10.481 -9.436 83 HG3 ARG 534 2HG ARG 534 3.861 11.037 -7.877 84 HD2 ARG 534 1HD ARG 534 5.751 12.893 -9.236 85 HD3 ARG 534 2HD ARG 534 4.240 12.628 -10.111 86 HH11 ARG 534 2HH2 ARG 534 4.221 14.743 -10.480 87 HH12 ARG 534 1HH2 ARG 534 3.105 16.021 -10.101 88 HH21 ARG 534 2HH1 ARG 534 2.354 14.871 -6.845 89 HH22 ARG 534 1HH1 ARG 534 1.874 15.945 -8.103 90 H GLU 535 H GLU 535 3.289 10.525 -6.143 91 HA GLU 535 HA GLU 535 3.808 12.240 -3.972 92 HB2 GLU 535 1HB GLU 535 1.415 10.872 -5.167 93 HB3 GLU 535 2HB GLU 535 1.285 11.672 -3.610 94 HG2 GLU 535 1HG GLU 535 2.355 13.709 -4.924 95 HG3 GLU 535 2HG GLU 535 1.724 12.858 -6.337 96 H MET 536 H MET 536 2.346 8.948 -4.052 97 HA MET 536 HA MET 536 2.151 8.643 -1.266 98 HB2 MET 536 1HB MET 536 2.642 6.494 -3.387 99 HB3 MET 536 2HB MET 536 2.195 6.176 -1.699 100 HG2 MET 536 1HG MET 536 0.189 7.646 -2.008 101 HG3 MET 536 2HG MET 536 0.559 7.750 -3.716 102 HE1 MET 536 3HE MET 536 -1.674 6.568 -1.389 103 HE2 MET 536 1HE MET 536 -2.011 4.852 -1.635 104 HE3 MET 536 2HE MET 536 -0.545 5.351 -0.750 105 H LEU 537 H LEU 537 4.927 7.904 -3.348 106 HA LEU 537 HA LEU 537 6.579 6.688 -1.405 107 HG LEU 537 HG LEU 537 9.244 6.913 -2.434 108 HB2 LEU 537 1HB LEU 537 6.710 7.057 -4.081 109 HB3 LEU 537 2HB LEU 537 7.694 8.410 -3.633 110 HD11 LEU 537 1HD1 LEU 537 9.109 4.448 -2.835 111 HD12 LEU 537 2HD1 LEU 537 7.774 5.010 -1.860 112 HD13 LEU 537 3HD1 LEU 537 7.512 4.663 -3.577 113 HD21 LEU 537 3HD2 LEU 537 8.617 6.261 -5.356 114 HD22 LEU 537 1HD2 LEU 537 9.662 7.548 -4.764 115 HD23 LEU 537 2HD2 LEU 537 10.146 5.855 -4.573 116 H ALA 538 H ALA 538 6.512 10.060 -2.569 117 HA ALA 538 HA ALA 538 8.493 11.052 -0.718 118 HB1 ALA 538 1HB ALA 538 6.237 12.521 -2.188 119 HB2 ALA 538 2HB ALA 538 7.627 13.290 -1.398 120 HB3 ALA 538 3HB ALA 538 7.881 12.253 -2.814 121 H HIS 539 H HIS 539 4.931 10.925 -0.571 122 HA HIS 539 HA HIS 539 4.561 12.246 1.905 123 HD1 HIS 539 1HD HIS 539 1.510 13.417 1.293 124 HD2 HIS 539 2HD HIS 539 1.794 9.814 3.555 125 HE1 HIS 539 1HE HIS 539 -0.095 13.637 3.162 126 HE2 HIS 539 2HE HIS 539 -0.020 11.458 4.556 127 HB2 HIS 539 1HB HIS 539 2.876 11.190 0.146 128 HB3 HIS 539 2HB HIS 539 2.958 9.778 1.127 129 H ALA 540 H ALA 540 5.138 8.791 1.172 130 HA ALA 540 HA ALA 540 4.944 7.966 3.930 131 HB1 ALA 540 1HB ALA 540 4.568 6.443 1.959 132 HB2 ALA 540 2HB ALA 540 6.305 6.533 1.597 133 HB3 ALA 540 3HB ALA 540 5.738 5.813 3.128 134 H GLU 541 H GLU 541 7.743 8.807 1.851 135 HA GLU 541 HA GLU 541 9.744 8.411 3.818 136 HB2 GLU 541 1HB GLU 541 9.487 9.852 1.236 137 HB3 GLU 541 2HB GLU 541 10.464 10.743 2.359 138 HG2 GLU 541 1HG GLU 541 11.548 8.304 2.763 139 HG3 GLU 541 2HG GLU 541 10.936 8.166 1.114 140 H GLU 542 H GLU 542 8.142 11.447 2.951 141 HA GLU 542 HA GLU 542 9.249 13.023 4.910 142 HB2 GLU 542 1HB GLU 542 7.997 13.756 2.843 143 HB3 GLU 542 2HB GLU 542 6.486 13.331 3.646 144 HG2 GLU 542 1HG GLU 542 6.433 15.390 4.529 145 HG3 GLU 542 2HG GLU 542 7.870 15.005 5.478 146 H THR 543 H THR 543 6.024 11.518 5.047 147 HA THR 543 HA THR 543 5.582 12.404 7.797 148 HB THR 543 HB THR 543 3.488 11.218 7.656 149 HG1 THR 543 1HG THR 543 4.376 10.361 5.104 150 HG21 THR 543 3HG2 THR 543 3.948 12.693 5.035 151 HG22 THR 543 1HG2 THR 543 2.415 12.471 5.899 152 HG23 THR 543 2HG2 THR 543 3.699 13.470 6.609 153 H ARG 544 H ARG 544 7.363 9.849 6.449 154 HA ARG 544 HA ARG 544 8.198 7.959 7.110 155 HE ARG 544 HE ARG 544 10.801 11.956 9.989 156 HB2 ARG 544 1HB ARG 544 8.204 9.322 9.801 157 HB3 ARG 544 2HB ARG 544 8.854 7.711 9.552 158 HG2 ARG 544 1HG ARG 544 10.746 8.858 9.279 159 HG3 ARG 544 2HG ARG 544 10.239 8.751 7.605 160 HD2 ARG 544 1HD ARG 544 10.253 11.018 7.426 161 HD3 ARG 544 2HD ARG 544 9.087 11.133 8.735 162 HH11 ARG 544 2HH2 ARG 544 12.307 10.022 7.411 163 HH12 ARG 544 1HH2 ARG 544 13.910 10.142 8.068 164 HH21 ARG 544 2HH1 ARG 544 12.990 12.243 10.757 165 HH22 ARG 544 1HH1 ARG 544 14.288 11.479 9.889 166 H LYS 545 H LYS 545 5.709 7.493 6.427 167 HA LYS 545 HA LYS 545 4.462 5.903 8.622 168 HB2 LYS 545 1HB LYS 545 3.283 7.225 6.138 169 HB3 LYS 545 2HB LYS 545 2.422 6.044 7.102 170 HG2 LYS 545 1HG LYS 545 2.661 7.372 9.131 171 HG3 LYS 545 2HG LYS 545 3.610 8.596 8.278 172 HD2 LYS 545 1HD LYS 545 1.725 9.268 6.940 173 HD3 LYS 545 2HD LYS 545 0.829 7.837 7.427 174 HE2 LYS 545 1HE LYS 545 0.013 9.859 8.621 175 HE3 LYS 545 2HE LYS 545 0.676 8.655 9.740 176 HZ1 LYS 545 3HZ LYS 545 2.132 11.071 8.845 177 HZ2 LYS 545 1HZ LYS 545 1.344 10.890 10.250 178 HZ3 LYS 545 2HZ LYS 545 2.635 9.939 9.975 179 H LEU 546 H LEU 546 3.422 3.940 8.000 180 HA LEU 546 HA LEU 546 5.366 2.256 6.739 181 HG LEU 546 HG LEU 546 3.424 -0.245 6.503 182 HB2 LEU 546 1HB LEU 546 4.095 1.678 8.776 183 HB3 LEU 546 2HB LEU 546 2.596 1.685 7.862 184 HD11 LEU 546 1HD1 LEU 546 5.870 -0.014 8.308 185 HD12 LEU 546 2HD1 LEU 546 5.442 -1.502 7.456 186 HD13 LEU 546 3HD1 LEU 546 5.827 -0.050 6.526 187 HD21 LEU 546 3HD2 LEU 546 2.130 -0.574 8.626 188 HD22 LEU 546 1HD2 LEU 546 3.225 -1.916 8.254 189 HD23 LEU 546 2HD2 LEU 546 3.660 -0.719 9.502 190 H MET 547 H MET 547 5.536 1.932 4.623 191 HA MET 547 HA MET 547 3.127 2.057 2.864 192 HB2 MET 547 1HB MET 547 4.826 3.799 2.516 193 HB3 MET 547 2HB MET 547 6.059 2.568 2.231 194 HG2 MET 547 1HG MET 547 4.850 1.801 0.231 195 HG3 MET 547 2HG MET 547 3.521 2.901 0.579 196 HE1 MET 547 3HE MET 547 5.010 2.787 -2.285 197 HE2 MET 547 1HE MET 547 3.607 3.799 -1.863 198 HE3 MET 547 2HE MET 547 5.037 4.531 -2.629 199 HA PRO 548 HA PRO 548 4.494 -2.302 2.524 200 HB2 PRO 548 1HB PRO 548 1.948 -3.309 1.907 201 HB3 PRO 548 2HB PRO 548 2.700 -3.303 3.508 202 HG2 PRO 548 1HG PRO 548 0.629 -1.455 2.420 203 HG3 PRO 548 2HG PRO 548 0.873 -1.979 4.084 204 HD2 PRO 548 1HD PRO 548 1.615 0.498 3.026 205 HD3 PRO 548 2HD PRO 548 2.335 -0.238 4.494 206 H ILE 549 H ILE 549 4.844 -3.404 0.525 207 HA ILE 549 HA ILE 549 3.821 -2.113 -1.934 208 HB ILE 549 HB ILE 549 6.765 -2.667 -1.373 209 HG12 ILE 549 1HG1 ILE 549 6.678 -0.016 -2.100 210 HG13 ILE 549 2HG1 ILE 549 5.109 -0.166 -1.322 211 HG21 ILE 549 1HG2 ILE 549 6.175 -3.195 -3.724 212 HG22 ILE 549 2HG2 ILE 549 5.495 -1.567 -3.901 213 HG23 ILE 549 3HG2 ILE 549 7.225 -1.798 -3.587 214 HD11 ILE 549 3HD1 ILE 549 6.531 -1.271 0.592 215 HD12 ILE 549 1HD1 ILE 549 7.920 -0.601 -0.287 216 HD13 ILE 549 2HD1 ILE 549 6.634 0.497 0.267 217 H CYS 550 H CYS 550 3.137 -3.718 -3.390 218 HA CYS 550 HA CYS 550 3.716 -6.498 -2.675 219 HG CYS 550 HG CYS 550 2.179 -7.947 -2.839 220 HB2 CYS 550 1HB CYS 550 1.503 -5.523 -3.781 221 HB3 CYS 550 2HB CYS 550 2.395 -5.758 -5.293 222 H MET 551 H MET 551 5.472 -7.521 -3.334 223 HA MET 551 HA MET 551 7.484 -6.569 -5.098 224 HB2 MET 551 1HB MET 551 6.739 -9.349 -4.094 225 HB3 MET 551 2HB MET 551 8.189 -9.019 -5.051 226 HG2 MET 551 1HG MET 551 8.233 -7.132 -2.961 227 HG3 MET 551 2HG MET 551 7.680 -8.620 -2.214 228 HE1 MET 551 3HE MET 551 10.510 -7.364 -1.192 229 HE2 MET 551 1HE MET 551 9.565 -8.754 -0.639 230 HE3 MET 551 2HE MET 551 11.293 -8.936 -1.016 231 H ASP 552 H ASP 552 4.500 -8.277 -5.753 232 HA ASP 552 HA ASP 552 4.922 -9.478 -8.244 233 HB2 ASP 552 1HB ASP 552 2.883 -9.703 -6.961 234 HB3 ASP 552 2HB ASP 552 2.542 -7.975 -7.074 235 H VAL 553 H VAL 553 4.580 -6.029 -7.481 236 HA VAL 553 HA VAL 553 4.026 -5.407 -10.295 237 HB VAL 553 HB VAL 553 3.947 -3.637 -7.830 238 HG11 VAL 553 1HG1 VAL 553 2.522 -2.173 -9.270 239 HG12 VAL 553 2HG1 VAL 553 4.191 -2.289 -9.863 240 HG13 VAL 553 3HG1 VAL 553 2.901 -3.201 -10.655 241 HG21 VAL 553 3HG2 VAL 553 1.441 -3.919 -8.126 242 HG22 VAL 553 1HG2 VAL 553 1.787 -5.187 -9.337 243 HG23 VAL 553 2HG2 VAL 553 2.264 -5.402 -7.649 244 H ARG 554 H ARG 554 6.017 -6.072 -11.013 245 HA ARG 554 HA ARG 554 8.487 -5.071 -10.243 246 HE ARG 554 HE ARG 554 7.815 -9.300 -13.809 247 HB2 ARG 554 1HB ARG 554 7.548 -5.881 -13.012 248 HB3 ARG 554 2HB ARG 554 9.231 -5.507 -12.621 249 HG2 ARG 554 1HG ARG 554 9.148 -7.277 -10.814 250 HG3 ARG 554 2HG ARG 554 7.572 -7.774 -11.439 251 HD2 ARG 554 1HD ARG 554 10.178 -7.723 -13.044 252 HD3 ARG 554 2HD ARG 554 9.489 -9.149 -12.272 253 HH11 ARG 554 2HH2 ARG 554 10.020 -6.688 -14.763 254 HH12 ARG 554 1HH2 ARG 554 9.067 -6.143 -16.086 255 HH21 ARG 554 2HH1 ARG 554 6.591 -8.668 -15.730 256 HH22 ARG 554 1HH1 ARG 554 7.261 -7.480 -16.786 257 H ALA 555 H ALA 555 6.048 -3.342 -12.135 258 HA ALA 555 HA ALA 555 7.745 -1.233 -13.082 259 HB1 ALA 555 1HB ALA 555 4.778 -1.234 -12.360 260 HB2 ALA 555 2HB ALA 555 5.615 0.086 -13.201 261 HB3 ALA 555 3HB ALA 555 5.479 -1.498 -13.966 262 H ILE 556 H ILE 556 6.059 -1.719 -9.947 263 HA ILE 556 HA ILE 556 6.755 0.966 -8.977 264 HB ILE 556 HB ILE 556 5.406 -1.461 -7.732 265 HG12 ILE 556 1HG1 ILE 556 4.476 1.409 -8.274 266 HG13 ILE 556 2HG1 ILE 556 4.134 0.032 -9.312 267 HG21 ILE 556 1HG2 ILE 556 6.276 1.111 -6.358 268 HG22 ILE 556 2HG2 ILE 556 5.079 -0.014 -5.681 269 HG23 ILE 556 3HG2 ILE 556 6.731 -0.551 -5.938 270 HD11 ILE 556 3HD1 ILE 556 3.067 0.548 -6.527 271 HD12 ILE 556 1HD1 ILE 556 2.182 0.308 -8.044 272 HD13 ILE 556 2HD1 ILE 556 2.999 -1.063 -7.275 273 H MET 557 H MET 557 7.747 -2.442 -8.398 274 HA MET 557 HA MET 557 9.766 -1.946 -6.548 275 HB2 MET 557 1HB MET 557 9.620 -4.086 -8.709 276 HB3 MET 557 2HB MET 557 10.785 -4.097 -7.396 277 HG2 MET 557 1HG MET 557 7.758 -4.285 -7.138 278 HG3 MET 557 2HG MET 557 8.930 -5.558 -6.853 279 HE1 MET 557 3HE MET 557 10.926 -5.182 -5.133 280 HE2 MET 557 1HE MET 557 11.141 -3.407 -5.040 281 HE3 MET 557 2HE MET 557 10.720 -4.340 -3.587 282 H ALA 558 H ALA 558 10.060 -1.836 -10.137 283 HA ALA 558 HA ALA 558 12.822 -1.274 -10.274 284 HB1 ALA 558 1HB ALA 558 11.459 -1.814 -12.243 285 HB2 ALA 558 2HB ALA 558 10.533 -0.310 -12.055 286 HB3 ALA 558 3HB ALA 558 12.258 -0.242 -12.466 287 H THR 559 H THR 559 10.048 1.022 -10.068 288 HA THR 559 HA THR 559 11.651 3.370 -10.062 289 HB THR 559 HB THR 559 8.819 2.592 -9.610 290 HG1 THR 559 1HG THR 559 8.892 3.589 -11.426 291 HG21 THR 559 3HG2 THR 559 8.127 4.820 -8.811 292 HG22 THR 559 1HG2 THR 559 8.977 3.893 -7.570 293 HG23 THR 559 2HG2 THR 559 9.816 5.214 -8.428 294 H ILE 560 H ILE 560 10.422 1.401 -7.320 295 HA ILE 560 HA ILE 560 11.535 3.140 -5.345 296 HB ILE 560 HB ILE 560 10.724 0.191 -5.246 297 HG12 ILE 560 1HG1 ILE 560 9.418 2.803 -4.306 298 HG13 ILE 560 2HG1 ILE 560 8.951 1.911 -5.744 299 HG21 ILE 560 1HG2 ILE 560 12.397 0.686 -3.423 300 HG22 ILE 560 2HG2 ILE 560 11.355 2.017 -2.872 301 HG23 ILE 560 3HG2 ILE 560 10.788 0.347 -2.796 302 HD11 ILE 560 3HD1 ILE 560 8.369 -0.037 -4.315 303 HD12 ILE 560 1HD1 ILE 560 8.613 1.001 -2.885 304 HD13 ILE 560 2HD1 ILE 560 7.367 1.415 -4.072 305 H GLN 561 H GLN 561 12.883 0.090 -6.858 306 HA GLN 561 HA GLN 561 15.326 0.281 -5.400 307 HB2 GLN 561 1HB GLN 561 14.490 -1.177 -7.931 308 HB3 GLN 561 2HB GLN 561 16.188 -0.993 -7.540 309 HG2 GLN 561 1HG GLN 561 15.582 -1.889 -5.186 310 HG3 GLN 561 2HG GLN 561 14.097 -2.481 -5.935 311 HE21 GLN 561 1HE2 GLN 561 14.363 -4.682 -6.719 312 HE22 GLN 561 2HE2 GLN 561 15.917 -5.323 -7.174 313 H ARG 562 H ARG 562 14.307 2.010 -8.313 314 HA ARG 562 HA ARG 562 16.953 3.031 -8.924 315 HE ARG 562 HE ARG 562 15.355 5.404 -12.235 316 HB2 ARG 562 1HB ARG 562 14.168 4.134 -9.450 317 HB3 ARG 562 2HB ARG 562 15.635 4.993 -9.945 318 HG2 ARG 562 1HG ARG 562 16.303 3.225 -11.414 319 HG3 ARG 562 2HG ARG 562 15.102 2.118 -10.747 320 HD2 ARG 562 1HD ARG 562 14.248 2.819 -12.831 321 HD3 ARG 562 2HD ARG 562 13.281 3.628 -11.593 322 HH11 ARG 562 2HH2 ARG 562 12.673 3.907 -13.989 323 HH12 ARG 562 1HH2 ARG 562 12.666 5.066 -15.278 324 HH21 ARG 562 2HH1 ARG 562 15.332 6.959 -13.760 325 HH22 ARG 562 1HH1 ARG 562 14.391 6.819 -15.221 326 H LYS 563 H LYS 563 14.233 4.546 -7.088 327 HA LYS 563 HA LYS 563 15.897 6.751 -6.311 328 HB2 LYS 563 1HB LYS 563 13.379 6.850 -6.412 329 HB3 LYS 563 2HB LYS 563 13.305 5.803 -4.990 330 HG2 LYS 563 1HG LYS 563 14.402 7.413 -3.593 331 HG3 LYS 563 2HG LYS 563 14.940 8.369 -4.993 332 HD2 LYS 563 1HD LYS 563 12.706 9.178 -5.384 333 HD3 LYS 563 2HD LYS 563 12.041 8.090 -4.164 334 HE2 LYS 563 1HE LYS 563 12.269 10.400 -3.314 335 HE3 LYS 563 2HE LYS 563 13.202 9.241 -2.380 336 HZ1 LYS 563 3HZ LYS 563 14.385 11.276 -2.785 337 HZ2 LYS 563 1HZ LYS 563 15.218 10.017 -3.397 338 HZ3 LYS 563 2HZ LYS 563 14.403 11.057 -4.397 339 H TYR 564 H TYR 564 15.168 3.675 -4.767 340 HA TYR 564 HA TYR 564 16.930 4.309 -2.477 341 HD1 TYR 564 1HD TYR 564 15.228 5.097 -0.004 342 HD2 TYR 564 2HD TYR 564 12.691 3.881 -3.261 343 HE1 TYR 564 1HE TYR 564 13.695 7.002 0.464 344 HE2 TYR 564 2HE TYR 564 11.088 5.699 -2.623 345 HH TYR 564 HH TYR 564 12.065 8.429 -0.588 346 HB2 TYR 564 1HB TYR 564 14.466 2.509 -2.639 347 HB3 TYR 564 2HB TYR 564 15.396 2.790 -1.219 348 H LYS 565 H LYS 565 18.647 3.450 -4.306 349 HA LYS 565 HA LYS 565 18.417 0.574 -4.685 350 HB2 LYS 565 1HB LYS 565 19.266 2.097 -6.489 351 HB3 LYS 565 2HB LYS 565 20.560 2.637 -5.437 352 HG2 LYS 565 1HG LYS 565 21.672 0.680 -5.496 353 HG3 LYS 565 2HG LYS 565 20.286 -0.332 -5.946 354 HD2 LYS 565 1HD LYS 565 21.482 1.677 -7.853 355 HD3 LYS 565 2HD LYS 565 22.080 0.011 -7.731 356 HE2 LYS 565 1HE LYS 565 19.924 -0.922 -8.311 357 HE3 LYS 565 2HE LYS 565 19.149 0.675 -8.256 358 HZ1 LYS 565 3HZ LYS 565 20.375 1.339 -10.135 359 HZ2 LYS 565 1HZ LYS 565 21.291 -0.054 -10.153 360 HZ3 LYS 565 2HZ LYS 565 19.704 -0.107 -10.529 361 H GLY 566 H GLY 566 19.961 2.687 -2.296 362 HA2 GLY 566 1HA GLY 566 22.142 1.002 -1.698 363 HA3 GLY 566 2HA GLY 566 21.421 2.164 -0.595 364 H ILE 567 H ILE 567 18.776 0.580 -1.013 365 HA ILE 567 HA ILE 567 19.192 -1.398 1.092 366 HB ILE 567 HB ILE 567 17.472 0.070 1.404 367 HG12 ILE 567 1HG1 ILE 567 16.946 -2.443 1.784 368 HG13 ILE 567 2HG1 ILE 567 15.783 -1.154 2.026 369 HG21 ILE 567 1HG2 ILE 567 15.489 0.423 -0.051 370 HG22 ILE 567 2HG2 ILE 567 16.994 1.046 -0.732 371 HG23 ILE 567 3HG2 ILE 567 16.319 -0.464 -1.352 372 HD11 ILE 567 3HD1 ILE 567 14.908 -3.204 0.725 373 HD12 ILE 567 1HD1 ILE 567 14.599 -1.606 0.022 374 HD13 ILE 567 2HD1 ILE 567 15.905 -2.604 -0.638 375 H LYS 568 H LYS 568 18.039 -3.540 0.817 376 HA LYS 568 HA LYS 568 18.548 -4.785 -1.831 377 HB2 LYS 568 1HB LYS 568 19.018 -6.050 0.923 378 HB3 LYS 568 2HB LYS 568 19.354 -6.732 -0.663 379 HG2 LYS 568 1HG LYS 568 21.468 -6.120 -0.031 380 HG3 LYS 568 2HG LYS 568 21.000 -4.678 -0.917 381 HD2 LYS 568 1HD LYS 568 20.329 -3.695 1.413 382 HD3 LYS 568 2HD LYS 568 21.167 -5.066 2.093 383 HE2 LYS 568 1HE LYS 568 22.438 -3.117 0.126 384 HE3 LYS 568 2HE LYS 568 22.454 -2.871 1.875 385 HZ1 LYS 568 3HZ LYS 568 23.633 -5.244 0.555 386 HZ2 LYS 568 1HZ LYS 568 24.455 -3.918 1.076 387 HZ3 LYS 568 2HZ LYS 568 23.695 -4.855 2.163 388 H ILE 569 H ILE 569 16.514 -5.697 -2.524 389 HA ILE 569 HA ILE 569 14.216 -5.131 -0.852 390 HB ILE 569 HB ILE 569 14.601 -6.730 -3.420 391 HG12 ILE 569 1HG1 ILE 569 15.141 -4.443 -3.860 392 HG13 ILE 569 2HG1 ILE 569 13.511 -4.701 -4.458 393 HG21 ILE 569 1HG2 ILE 569 12.013 -5.873 -2.090 394 HG22 ILE 569 2HG2 ILE 569 12.170 -6.516 -3.750 395 HG23 ILE 569 3HG2 ILE 569 12.616 -7.525 -2.386 396 HD11 ILE 569 3HD1 ILE 569 14.237 -3.282 -1.876 397 HD12 ILE 569 1HD1 ILE 569 13.614 -2.550 -3.365 398 HD13 ILE 569 2HD1 ILE 569 12.592 -3.638 -2.410 399 H GLN 570 H GLN 570 13.314 -6.242 0.684 400 HA GLN 570 HA GLN 570 13.948 -9.088 1.167 401 HB2 GLN 570 1HB GLN 570 13.769 -6.802 3.136 402 HB3 GLN 570 2HB GLN 570 13.818 -8.477 3.627 403 HG2 GLN 570 1HG GLN 570 16.044 -8.639 3.406 404 HG3 GLN 570 2HG GLN 570 16.086 -7.744 1.904 405 HE21 GLN 570 1HE2 GLN 570 15.674 -5.267 2.258 406 HE22 GLN 570 2HE2 GLN 570 16.230 -4.486 3.716 407 H GLU 571 H GLU 571 12.207 -10.257 1.963 408 HA GLU 571 HA GLU 571 9.566 -9.086 1.503 409 HB2 GLU 571 1HB GLU 571 10.910 -11.804 1.799 410 HB3 GLU 571 2HB GLU 571 9.249 -11.641 2.306 411 HG2 GLU 571 1HG GLU 571 8.552 -10.891 0.088 412 HG3 GLU 571 2HG GLU 571 10.245 -10.937 -0.450 413 H GLY 572 H GLY 572 9.647 -7.555 3.334 414 HA2 GLY 572 1HA GLY 572 8.833 -8.360 5.881 415 HA3 GLY 572 2HA GLY 572 10.607 -8.381 5.902 416 H ILE 573 H ILE 573 9.979 -6.692 7.612 417 HA ILE 573 HA ILE 573 9.248 -4.020 6.720 418 HB ILE 573 HB ILE 573 10.291 -5.276 9.275 419 HG12 ILE 573 1HG1 ILE 573 7.885 -5.520 8.628 420 HG13 ILE 573 2HG1 ILE 573 8.180 -4.810 10.196 421 HG21 ILE 573 1HG2 ILE 573 9.863 -2.286 8.957 422 HG22 ILE 573 2HG2 ILE 573 10.048 -3.149 10.492 423 HG23 ILE 573 3HG2 ILE 573 11.367 -3.116 9.330 424 HD11 ILE 573 3HD1 ILE 573 6.300 -3.731 8.939 425 HD12 ILE 573 1HD1 ILE 573 7.576 -2.584 9.366 426 HD13 ILE 573 2HD1 ILE 573 7.451 -3.205 7.705 427 H VAL 574 H VAL 574 10.541 -2.635 5.767 428 HA VAL 574 HA VAL 574 13.500 -2.891 5.953 429 HB VAL 574 HB VAL 574 11.676 -2.407 3.582 430 HG11 VAL 574 1HG1 VAL 574 14.706 -2.185 3.755 431 HG12 VAL 574 2HG1 VAL 574 13.709 -2.039 2.284 432 HG13 VAL 574 3HG1 VAL 574 13.594 -0.816 3.520 433 HG21 VAL 574 3HG2 VAL 574 13.716 -4.574 4.182 434 HG22 VAL 574 1HG2 VAL 574 11.977 -4.774 4.001 435 HG23 VAL 574 2HG2 VAL 574 12.962 -4.329 2.610 436 H ASP 575 H ASP 575 14.004 -1.280 7.280 437 HA ASP 575 HA ASP 575 12.610 1.321 7.298 438 HB2 ASP 575 1HB ASP 575 13.224 0.143 9.392 439 HB3 ASP 575 2HB ASP 575 14.921 0.279 8.996 440 H TYR 576 H TYR 576 13.223 1.939 5.097 441 HA TYR 576 HA TYR 576 15.973 3.042 5.004 442 HD1 TYR 576 2HD TYR 576 18.285 1.942 4.079 443 HD2 TYR 576 1HD TYR 576 15.445 2.593 0.934 444 HE1 TYR 576 2HE TYR 576 20.073 2.941 2.704 445 HE2 TYR 576 1HE TYR 576 17.265 3.666 -0.452 446 HH TYR 576 HH TYR 576 20.571 4.133 0.675 447 HB2 TYR 576 1HB TYR 576 16.018 0.782 3.963 448 HB3 TYR 576 2HB TYR 576 14.826 1.302 2.797 449 H GLY 577 H GLY 577 15.394 5.149 4.985 450 HA2 GLY 577 1HA GLY 577 14.677 7.137 4.144 451 HA3 GLY 577 2HA GLY 577 14.091 6.329 2.690 452 H VAL 578 H VAL 578 12.167 4.706 3.221 453 HA VAL 578 HA VAL 578 10.049 5.925 4.793 454 HB VAL 578 HB VAL 578 9.507 6.312 2.535 455 HG11 VAL 578 1HG1 VAL 578 11.371 4.504 1.519 456 HG12 VAL 578 2HG1 VAL 578 10.127 5.525 0.612 457 HG13 VAL 578 3HG1 VAL 578 11.366 6.246 1.589 458 HG21 VAL 578 3HG2 VAL 578 8.686 3.548 2.543 459 HG22 VAL 578 1HG2 VAL 578 7.812 4.897 3.282 460 HG23 VAL 578 2HG2 VAL 578 8.132 4.918 1.523 461 H ARG 579 H ARG 579 8.761 4.374 5.826 462 HA ARG 579 HA ARG 579 10.056 1.832 6.572 463 HE ARG 579 HE ARG 579 9.539 2.606 11.524 464 HB2 ARG 579 1HB ARG 579 7.588 3.369 7.387 465 HB3 ARG 579 2HB ARG 579 7.573 1.621 7.625 466 HG2 ARG 579 1HG ARG 579 9.623 1.694 8.976 467 HG3 ARG 579 2HG ARG 579 9.771 3.435 8.703 468 HD2 ARG 579 1HD ARG 579 7.391 3.614 9.702 469 HD3 ARG 579 2HD ARG 579 7.602 1.940 10.217 470 HH11 ARG 579 2HH2 ARG 579 7.172 5.237 10.716 471 HH12 ARG 579 1HH2 ARG 579 7.855 6.282 11.924 472 HH21 ARG 579 2HH1 ARG 579 10.195 4.072 13.229 473 HH22 ARG 579 1HH1 ARG 579 9.224 5.497 13.523 474 H PHE 580 H PHE 580 10.250 0.577 4.773 475 HA PHE 580 HA PHE 580 7.893 0.262 2.993 476 HD1 PHE 580 1HD PHE 580 8.082 1.443 1.212 477 HD2 PHE 580 2HD PHE 580 12.302 0.954 1.872 478 HE1 PHE 580 1HE PHE 580 8.639 3.571 0.080 479 HE2 PHE 580 2HE PHE 580 12.750 2.667 0.191 480 HZ PHE 580 HZ PHE 580 10.865 3.956 -0.746 481 HB2 PHE 580 1HB PHE 580 10.777 -0.654 2.828 482 HB3 PHE 580 2HB PHE 580 9.544 -1.157 1.685 483 H PHE 581 H PHE 581 6.792 -1.726 2.845 484 HA PHE 581 HA PHE 581 7.742 -3.960 4.559 485 HD1 PHE 581 1HD PHE 581 7.330 -5.388 6.126 486 HD2 PHE 581 2HD PHE 581 3.218 -4.201 5.702 487 HE1 PHE 581 1HE PHE 581 6.625 -7.377 7.418 488 HE2 PHE 581 2HE PHE 581 2.507 -6.263 6.911 489 HZ PHE 581 HZ PHE 581 4.230 -7.786 7.870 490 HB2 PHE 581 1HB PHE 581 6.093 -2.666 5.808 491 HB3 PHE 581 2HB PHE 581 4.889 -2.940 4.574 492 H PHE 582 H PHE 582 8.531 -4.833 2.550 493 HA PHE 582 HA PHE 582 6.809 -4.911 0.232 494 HD1 PHE 582 2HD PHE 582 8.408 -4.110 -1.976 495 HD2 PHE 582 1HD PHE 582 10.961 -4.745 1.439 496 HE1 PHE 582 2HE PHE 582 9.694 -2.055 -2.546 497 HE2 PHE 582 1HE PHE 582 12.221 -2.696 0.866 498 HZ PHE 582 HZ PHE 582 11.576 -1.312 -1.074 499 HB2 PHE 582 1HB PHE 582 9.343 -6.429 0.789 500 HB3 PHE 582 2HB PHE 582 8.544 -6.345 -0.760 501 H TYR 583 H TYR 583 5.494 -6.610 -0.481 502 HA TYR 583 HA TYR 583 5.496 -9.126 1.090 503 HD1 TYR 583 2HD TYR 583 1.645 -9.022 -0.524 504 HD2 TYR 583 1HD TYR 583 3.339 -5.375 1.003 505 HE1 TYR 583 2HE TYR 583 0.050 -7.722 -1.898 506 HE2 TYR 583 1HE TYR 583 1.689 -4.052 -0.297 507 HH TYR 583 HH TYR 583 -0.677 -5.515 -2.556 508 HB2 TYR 583 1HB TYR 583 3.141 -9.027 1.420 509 HB3 TYR 583 2HB TYR 583 3.849 -7.562 2.053 510 H THR 584 H THR 584 3.857 -10.702 0.183 511 HA THR 584 HA THR 584 4.529 -11.201 -2.603 512 HB THR 584 HB THR 584 3.754 -13.561 -1.450 513 HG1 THR 584 1HG THR 584 3.817 -13.500 0.738 514 HG21 THR 584 3HG2 THR 584 6.410 -12.093 -1.011 515 HG22 THR 584 1HG2 THR 584 6.143 -13.836 -0.796 516 HG23 THR 584 2HG2 THR 584 5.973 -13.121 -2.395 517 H SER 585 H SER 585 2.864 -11.259 -4.145 518 HA SER 585 HA SER 585 0.223 -10.497 -3.359 519 HG SER 585 HG SER 585 1.306 -11.557 -7.109 520 HB2 SER 585 1HB SER 585 -0.312 -10.944 -5.731 521 HB3 SER 585 2HB SER 585 1.077 -9.928 -5.531 522 H LYS 586 H LYS 586 1.793 -13.584 -3.618 523 HA LYS 586 HA LYS 586 -0.559 -15.210 -4.013 524 HB2 LYS 586 1HB LYS 586 2.103 -16.073 -2.806 525 HB3 LYS 586 2HB LYS 586 0.839 -17.103 -3.487 526 HG2 LYS 586 1HG LYS 586 1.150 -15.770 -5.689 527 HG3 LYS 586 2HG LYS 586 2.615 -15.115 -4.935 528 HD2 LYS 586 1HD LYS 586 3.306 -17.596 -4.580 529 HD3 LYS 586 2HD LYS 586 1.984 -17.973 -5.722 530 HE2 LYS 586 1HE LYS 586 3.031 -16.376 -7.365 531 HE3 LYS 586 2HE LYS 586 4.324 -16.074 -6.211 532 HZ1 LYS 586 3HZ LYS 586 5.143 -17.600 -7.701 533 HZ2 LYS 586 1HZ LYS 586 4.826 -18.536 -6.402 534 HZ3 LYS 586 2HZ LYS 586 3.850 -18.579 -7.708 535 H GLU 587 H GLU 587 0.712 -13.662 -1.096 536 HA GLU 587 HA GLU 587 -0.361 -15.557 0.743 537 HB2 GLU 587 1HB GLU 587 0.960 -12.970 0.892 538 HB3 GLU 587 2HB GLU 587 -0.510 -12.883 1.862 539 HG2 GLU 587 1HG GLU 587 1.241 -13.661 3.291 540 HG3 GLU 587 2HG GLU 587 0.178 -15.012 3.012 541 HA PRO 588 HA PRO 588 -4.764 -14.656 0.534 542 HB2 PRO 588 1HB PRO 588 -4.860 -14.620 3.511 543 HB3 PRO 588 2HB PRO 588 -5.749 -15.672 2.374 544 HG2 PRO 588 1HG PRO 588 -3.680 -16.612 3.909 545 HG3 PRO 588 2HG PRO 588 -3.960 -17.184 2.237 546 HD2 PRO 588 1HD PRO 588 -2.012 -15.085 3.203 547 HD3 PRO 588 2HD PRO 588 -1.700 -16.420 2.081 548 H VAL 589 H VAL 589 -5.797 -12.652 0.357 549 HA VAL 589 HA VAL 589 -4.584 -10.211 1.157 550 HB VAL 589 HB VAL 589 -7.568 -10.746 0.720 551 HG11 VAL 589 1HG1 VAL 589 -7.695 -8.352 0.216 552 HG12 VAL 589 2HG1 VAL 589 -7.124 -8.611 1.852 553 HG13 VAL 589 3HG1 VAL 589 -5.959 -8.152 0.595 554 HG21 VAL 589 3HG2 VAL 589 -7.175 -9.899 -1.564 555 HG22 VAL 589 1HG2 VAL 589 -5.454 -9.761 -1.203 556 HG23 VAL 589 2HG2 VAL 589 -6.244 -11.370 -1.287 557 H ALA 590 H ALA 590 -6.988 -12.281 2.754 558 HA ALA 590 HA ALA 590 -7.519 -10.850 5.063 559 HB1 ALA 590 1HB ALA 590 -7.907 -13.064 6.128 560 HB2 ALA 590 2HB ALA 590 -8.647 -12.945 4.518 561 HB3 ALA 590 3HB ALA 590 -7.136 -13.854 4.735 562 H SER 591 H SER 591 -4.848 -13.259 4.705 563 HA SER 591 HA SER 591 -3.786 -12.919 7.289 564 HG SER 591 HG SER 591 -1.128 -15.003 6.204 565 HB2 SER 591 1HB SER 591 -3.352 -14.867 5.782 566 HB3 SER 591 2HB SER 591 -2.404 -13.799 4.733 567 H ILE 592 H ILE 592 -2.779 -11.488 4.130 568 HA ILE 592 HA ILE 592 -0.564 -10.071 5.149 569 HB ILE 592 HB ILE 592 -1.880 -10.650 2.670 570 HG12 ILE 592 1HG1 ILE 592 0.449 -11.029 3.284 571 HG13 ILE 592 2HG1 ILE 592 0.268 -10.215 1.727 572 HG21 ILE 592 1HG2 ILE 592 -1.545 -8.598 1.385 573 HG22 ILE 592 2HG2 ILE 592 -2.922 -8.511 2.514 574 HG23 ILE 592 3HG2 ILE 592 -1.391 -7.683 2.889 575 HD11 ILE 592 3HD1 ILE 592 0.768 -8.657 4.299 576 HD12 ILE 592 1HD1 ILE 592 2.060 -9.337 3.299 577 HD13 ILE 592 2HD1 ILE 592 0.949 -8.116 2.621 578 H ILE 593 H ILE 593 -4.005 -9.094 4.743 579 HA ILE 593 HA ILE 593 -3.495 -6.483 5.796 580 HB ILE 593 HB ILE 593 -6.023 -8.128 5.383 581 HG12 ILE 593 1HG1 ILE 593 -4.846 -5.653 4.018 582 HG13 ILE 593 2HG1 ILE 593 -4.895 -7.276 3.353 583 HG21 ILE 593 1HG2 ILE 593 -5.869 -5.209 6.267 584 HG22 ILE 593 2HG2 ILE 593 -7.354 -6.126 5.956 585 HG23 ILE 593 3HG2 ILE 593 -6.341 -6.526 7.340 586 HD11 ILE 593 3HD1 ILE 593 -7.460 -7.136 3.519 587 HD12 ILE 593 1HD1 ILE 593 -7.234 -5.396 3.795 588 HD13 ILE 593 2HD1 ILE 593 -6.661 -6.127 2.292 589 H THR 594 H THR 594 -4.433 -9.632 7.476 590 HA THR 594 HA THR 594 -4.572 -8.710 10.033 591 HB THR 594 HB THR 594 -3.012 -11.213 9.354 592 HG1 THR 594 1HG THR 594 -4.966 -12.266 9.259 593 HG21 THR 594 3HG2 THR 594 -4.994 -10.556 11.559 594 HG22 THR 594 1HG2 THR 594 -4.068 -12.068 11.368 595 HG23 THR 594 2HG2 THR 594 -3.229 -10.561 11.738 596 H LYS 595 H LYS 595 -1.393 -9.081 8.166 597 HA LYS 595 HA LYS 595 0.162 -8.535 10.498 598 HB2 LYS 595 1HB LYS 595 0.686 -8.239 7.502 599 HB3 LYS 595 2HB LYS 595 1.802 -7.747 8.739 600 HG2 LYS 595 1HG LYS 595 2.628 -9.821 8.834 601 HG3 LYS 595 2HG LYS 595 1.116 -10.312 9.585 602 HD2 LYS 595 1HD LYS 595 0.309 -10.455 7.031 603 HD3 LYS 595 2HD LYS 595 2.040 -10.595 6.734 604 HE2 LYS 595 1HE LYS 595 1.210 -12.816 6.928 605 HE3 LYS 595 2HE LYS 595 2.078 -12.490 8.430 606 HZ1 LYS 595 3HZ LYS 595 -0.055 -12.118 9.511 607 HZ2 LYS 595 1HZ LYS 595 -0.858 -12.331 8.076 608 HZ3 LYS 595 2HZ LYS 595 -0.075 -13.579 8.776 609 H LEU 596 H LEU 596 -1.238 -6.420 7.938 610 HA LEU 596 HA LEU 596 -0.194 -4.004 9.012 611 HG LEU 596 HG LEU 596 -1.113 -5.385 6.162 612 HB2 LEU 596 1HB LEU 596 -2.836 -4.326 7.541 613 HB3 LEU 596 2HB LEU 596 -1.862 -2.866 7.702 614 HD11 LEU 596 1HD1 LEU 596 -1.270 -4.024 4.174 615 HD12 LEU 596 2HD1 LEU 596 -2.803 -3.944 5.058 616 HD13 LEU 596 3HD1 LEU 596 -1.654 -2.587 5.135 617 HD21 LEU 596 3HD2 LEU 596 0.490 -2.832 6.570 618 HD22 LEU 596 1HD2 LEU 596 0.925 -4.451 7.128 619 HD23 LEU 596 2HD2 LEU 596 0.877 -4.118 5.395 620 H ASN 597 H ASN 597 -3.231 -5.701 9.752 621 HA ASN 597 HA ASN 597 -4.313 -3.848 11.611 622 HB2 ASN 597 1HB ASN 597 -4.536 -6.896 11.734 623 HB3 ASN 597 2HB ASN 597 -5.591 -5.731 12.523 624 HD21 ASN 597 1HD2 ASN 597 -6.272 -7.834 10.440 625 HD22 ASN 597 2HD2 ASN 597 -6.994 -6.828 9.185 626 H SER 598 H SER 598 -2.206 -6.573 12.055 627 HA SER 598 HA SER 598 -2.078 -6.651 14.859 628 HG SER 598 HG SER 598 0.350 -6.890 12.164 629 HB2 SER 598 1HB SER 598 -0.132 -7.983 14.731 630 HB3 SER 598 2HB SER 598 -1.091 -8.374 13.299 631 H LEU 599 H LEU 599 -0.162 -4.809 12.614 632 HA LEU 599 HA LEU 599 1.553 -3.487 14.520 633 HG LEU 599 HG LEU 599 1.823 -5.013 11.791 634 HB2 LEU 599 1HB LEU 599 0.825 -2.694 11.668 635 HB3 LEU 599 2HB LEU 599 2.194 -2.099 12.606 636 HD11 LEU 599 1HD1 LEU 599 3.706 -2.928 10.627 637 HD12 LEU 599 2HD1 LEU 599 3.503 -4.614 10.097 638 HD13 LEU 599 3HD1 LEU 599 2.192 -3.460 9.861 639 HD21 LEU 599 3HD2 LEU 599 4.137 -3.600 13.116 640 HD22 LEU 599 1HD2 LEU 599 3.118 -4.882 13.801 641 HD23 LEU 599 2HD2 LEU 599 4.162 -5.248 12.424 642 H ASN 600 H ASN 600 -1.430 -2.630 12.761 643 HA ASN 600 HA ASN 600 -2.963 -0.983 13.038 644 HB2 ASN 600 1HB ASN 600 -3.086 -2.066 15.325 645 HB3 ASN 600 2HB ASN 600 -2.120 -0.718 15.931 646 HD21 ASN 600 1HD2 ASN 600 -4.736 -1.232 16.929 647 HD22 ASN 600 2HD2 ASN 600 -5.829 -0.017 16.293 648 H GLU 601 H GLU 601 -0.771 -0.205 11.733 649 HA GLU 601 HA GLU 601 0.227 2.319 12.918 650 HB2 GLU 601 1HB GLU 601 1.366 0.417 10.878 651 HB3 GLU 601 2HB GLU 601 2.027 2.034 11.118 652 HG2 GLU 601 1HG GLU 601 1.684 0.162 13.490 653 HG3 GLU 601 2HG GLU 601 3.024 -0.004 12.370 654 HA PRO 602 HA PRO 602 -2.140 4.260 9.611 655 HB2 PRO 602 1HB PRO 602 -0.849 6.678 9.308 656 HB3 PRO 602 2HB PRO 602 -1.911 6.273 10.689 657 HG2 PRO 602 1HG PRO 602 1.112 6.129 10.558 658 HG3 PRO 602 2HG PRO 602 0.091 6.834 11.851 659 HD2 PRO 602 1HD PRO 602 1.128 4.312 12.040 660 HD3 PRO 602 2HD PRO 602 -0.507 4.702 12.660 661 H LEU 603 H LEU 603 -1.978 3.326 7.696 662 HA LEU 603 HA LEU 603 0.621 3.156 6.342 663 HG LEU 603 HG LEU 603 -1.281 1.196 7.646 664 HB2 LEU 603 1HB LEU 603 -2.034 2.172 5.216 665 HB3 LEU 603 2HB LEU 603 -0.443 1.623 4.786 666 HD11 LEU 603 1HD1 LEU 603 -3.271 0.557 6.499 667 HD12 LEU 603 2HD1 LEU 603 -2.343 -0.446 5.353 668 HD13 LEU 603 3HD1 LEU 603 -2.424 -0.858 7.090 669 HD21 LEU 603 3HD2 LEU 603 0.169 -0.598 5.693 670 HD22 LEU 603 1HD2 LEU 603 0.977 0.588 6.732 671 HD23 LEU 603 2HD2 LEU 603 0.073 -0.746 7.468 672 H VAL 604 H VAL 604 0.779 3.517 3.990 673 HA VAL 604 HA VAL 604 -1.308 5.091 2.692 674 HB VAL 604 HB VAL 604 -0.075 6.936 3.495 675 HG11 VAL 604 1HG1 VAL 604 2.368 7.275 3.302 676 HG12 VAL 604 2HG1 VAL 604 1.942 5.936 4.373 677 HG13 VAL 604 3HG1 VAL 604 2.533 5.603 2.741 678 HG21 VAL 604 3HG2 VAL 604 1.071 6.490 0.721 679 HG22 VAL 604 1HG2 VAL 604 -0.559 7.122 1.081 680 HG23 VAL 604 2HG2 VAL 604 0.888 8.030 1.564 681 H THR 605 H THR 605 -1.697 3.365 1.294 682 HA THR 605 HA THR 605 0.237 3.081 -0.773 683 HB THR 605 HB THR 605 0.763 1.282 1.172 684 HG1 THR 605 1HG THR 605 1.940 0.301 -0.431 685 HG21 THR 605 3HG2 THR 605 -0.971 -0.350 -0.737 686 HG22 THR 605 1HG2 THR 605 0.141 -0.942 0.452 687 HG23 THR 605 2HG2 THR 605 -1.312 -0.041 0.978 688 H MET 606 H MET 606 -0.778 1.194 -2.373 689 HA MET 606 HA MET 606 -3.332 2.220 -3.216 690 HB2 MET 606 1HB MET 606 -2.188 -0.366 -4.230 691 HB3 MET 606 2HB MET 606 -2.992 0.925 -5.117 692 HG2 MET 606 1HG MET 606 -1.095 1.757 -5.779 693 HG3 MET 606 2HG MET 606 -0.537 2.035 -4.182 694 HE1 MET 606 3HE MET 606 0.337 -1.827 -6.651 695 HE2 MET 606 1HE MET 606 -1.315 -1.383 -6.181 696 HE3 MET 606 2HE MET 606 -0.412 -0.377 -7.339 697 HA PRO 607 HA PRO 607 -5.803 -1.151 -1.390 698 HB2 PRO 607 1HB PRO 607 -6.854 -2.407 -3.755 699 HB3 PRO 607 2HB PRO 607 -7.663 -1.349 -2.623 700 HG2 PRO 607 1HG PRO 607 -7.022 -0.687 -5.275 701 HG3 PRO 607 2HG PRO 607 -7.427 0.485 -3.975 702 HD2 PRO 607 1HD PRO 607 -4.745 -0.370 -5.003 703 HD3 PRO 607 2HD PRO 607 -5.259 1.241 -4.415 704 H ILE 608 H ILE 608 -5.272 -3.180 -0.702 705 HA ILE 608 HA ILE 608 -2.726 -4.268 -1.706 706 HB ILE 608 HB ILE 608 -4.478 -4.780 0.737 707 HG12 ILE 608 1HG1 ILE 608 -3.295 -2.597 0.741 708 HG13 ILE 608 2HG1 ILE 608 -2.969 -3.666 2.088 709 HG21 ILE 608 1HG2 ILE 608 -2.573 -6.057 1.687 710 HG22 ILE 608 2HG2 ILE 608 -3.436 -6.875 0.379 711 HG23 ILE 608 3HG2 ILE 608 -1.856 -6.118 0.062 712 HD11 ILE 608 3HD1 ILE 608 -0.949 -2.606 1.434 713 HD12 ILE 608 1HD1 ILE 608 -0.782 -4.307 1.047 714 HD13 ILE 608 2HD1 ILE 608 -1.114 -3.129 -0.257 715 H GLY 609 H GLY 609 -6.047 -5.388 -1.006 716 HA2 GLY 609 1HA GLY 609 -5.616 -7.869 -2.568 717 HA3 GLY 609 2HA GLY 609 -7.056 -7.415 -1.634 718 H TYR 610 H TYR 610 -5.202 -6.535 -4.485 719 HA TYR 610 HA TYR 610 -7.674 -5.799 -5.945 720 HD1 TYR 610 1HD TYR 610 -8.915 -4.422 -6.898 721 HD2 TYR 610 2HD TYR 610 -5.161 -2.380 -7.806 722 HE1 TYR 610 1HE TYR 610 -10.014 -3.005 -8.478 723 HE2 TYR 610 2HE TYR 610 -6.292 -1.247 -9.689 724 HH TYR 610 HH TYR 610 -9.469 -2.300 -10.682 725 HB2 TYR 610 1HB TYR 610 -6.349 -3.759 -5.169 726 HB3 TYR 610 2HB TYR 610 -5.099 -4.238 -6.282 727 H VAL 611 H VAL 611 -6.381 -5.394 -8.385 728 HA VAL 611 HA VAL 611 -6.006 -7.457 -9.884 729 HB VAL 611 HB VAL 611 -4.168 -6.203 -11.061 730 HG11 VAL 611 1HG1 VAL 611 -5.656 -4.272 -11.613 731 HG12 VAL 611 2HG1 VAL 611 -6.633 -5.735 -11.403 732 HG13 VAL 611 3HG1 VAL 611 -6.569 -4.516 -10.126 733 HG21 VAL 611 3HG2 VAL 611 -3.727 -3.847 -10.342 734 HG22 VAL 611 1HG2 VAL 611 -4.227 -4.316 -8.712 735 HG23 VAL 611 2HG2 VAL 611 -2.849 -5.107 -9.518 736 H THR 612 H THR 612 -3.316 -6.428 -7.866 737 HA THR 612 HA THR 612 -1.324 -8.288 -8.475 738 HB THR 612 HB THR 612 -0.564 -7.730 -6.115 739 HG1 THR 612 1HG THR 612 -2.016 -5.915 -5.236 740 HG21 THR 612 3HG2 THR 612 -0.163 -5.385 -6.592 741 HG22 THR 612 1HG2 THR 612 -0.135 -6.269 -8.131 742 HG23 THR 612 2HG2 THR 612 -1.554 -5.301 -7.692 743 H HIS 613 H HIS 613 -3.930 -8.510 -6.119 744 HA HIS 613 HA HIS 613 -3.476 -11.317 -5.450 745 HD1 HIS 613 1HD HIS 613 -3.027 -8.118 -3.105 746 HD2 HIS 613 2HD HIS 613 -4.181 -12.128 -2.434 747 HE1 HIS 613 1HE HIS 613 -1.643 -8.980 -1.089 748 HE2 HIS 613 2HE HIS 613 -2.328 -11.499 -0.778 749 HB2 HIS 613 1HB HIS 613 -5.280 -9.113 -4.435 750 HB3 HIS 613 2HB HIS 613 -5.638 -10.785 -4.063 751 H GLY 614 H GLY 614 -4.966 -9.804 -8.044 752 HA2 GLY 614 1HA GLY 614 -6.396 -10.663 -9.651 753 HA3 GLY 614 2HA GLY 614 -6.714 -12.067 -8.627 754 H PHE 615 H PHE 615 -7.113 -9.008 -7.033 755 HA PHE 615 HA PHE 615 -10.007 -9.623 -6.712 756 HD1 PHE 615 1HD PHE 615 -8.402 -10.995 -5.112 757 HD2 PHE 615 2HD PHE 615 -9.970 -7.641 -2.966 758 HE1 PHE 615 1HE PHE 615 -8.845 -12.470 -3.158 759 HE2 PHE 615 2HE PHE 615 -10.349 -9.066 -0.965 760 HZ PHE 615 HZ PHE 615 -9.848 -11.511 -1.077 761 HB2 PHE 615 1HB PHE 615 -7.985 -7.945 -5.309 762 HB3 PHE 615 2HB PHE 615 -9.663 -7.454 -5.226 763 H ASN 616 H ASN 616 -11.439 -7.949 -6.889 764 HA ASN 616 HA ASN 616 -10.944 -5.933 -9.020 765 HB2 ASN 616 1HB ASN 616 -12.888 -7.632 -9.204 766 HB3 ASN 616 2HB ASN 616 -13.574 -6.906 -7.752 767 HD21 ASN 616 1HD2 ASN 616 -15.425 -6.137 -8.661 768 HD22 ASN 616 2HD2 ASN 616 -15.417 -4.738 -9.696 769 H LEU 617 H LEU 617 -12.467 -3.993 -8.732 770 HA LEU 617 HA LEU 617 -11.073 -2.586 -6.628 771 HG LEU 617 HG LEU 617 -12.344 0.749 -7.829 772 HB2 LEU 617 1HB LEU 617 -11.775 -1.591 -8.924 773 HB3 LEU 617 2HB LEU 617 -13.400 -1.472 -8.264 774 HD11 LEU 617 1HD1 LEU 617 -13.055 1.126 -6.042 775 HD12 LEU 617 2HD1 LEU 617 -13.689 -0.499 -6.285 776 HD13 LEU 617 3HD1 LEU 617 -12.252 -0.378 -5.286 777 HD21 LEU 617 3HD2 LEU 617 -10.045 -0.618 -6.432 778 HD22 LEU 617 1HD2 LEU 617 -9.969 -0.213 -8.152 779 HD23 LEU 617 2HD2 LEU 617 -10.196 1.066 -6.992 780 H GLU 618 H GLU 618 -14.522 -3.198 -7.226 781 HA GLU 618 HA GLU 618 -15.612 -2.587 -4.784 782 HB2 GLU 618 1HB GLU 618 -16.781 -3.308 -6.834 783 HB3 GLU 618 2HB GLU 618 -16.207 -4.960 -6.598 784 HG2 GLU 618 1HG GLU 618 -17.582 -5.259 -4.654 785 HG3 GLU 618 2HG GLU 618 -17.928 -3.532 -4.531 786 H GLU 619 H GLU 619 -13.928 -5.612 -5.633 787 HA GLU 619 HA GLU 619 -14.430 -6.859 -3.109 788 HB2 GLU 619 1HB GLU 619 -12.417 -7.296 -5.378 789 HB3 GLU 619 2HB GLU 619 -12.414 -8.349 -3.980 790 HG2 GLU 619 1HG GLU 619 -15.080 -7.925 -5.308 791 HG3 GLU 619 2HG GLU 619 -13.891 -8.789 -6.259 792 H ALA 620 H ALA 620 -11.502 -5.157 -4.346 793 HA ALA 620 HA ALA 620 -9.928 -5.310 -2.055 794 HB1 ALA 620 1HB ALA 620 -8.608 -3.637 -3.020 795 HB2 ALA 620 2HB ALA 620 -9.335 -4.403 -4.415 796 HB3 ALA 620 3HB ALA 620 -9.986 -2.851 -3.852 797 H ALA 621 H ALA 621 -12.236 -2.691 -2.936 798 HA ALA 621 HA ALA 621 -12.019 -1.099 -0.633 799 HB1 ALA 621 1HB ALA 621 -14.357 -1.660 -2.500 800 HB2 ALA 621 2HB ALA 621 -14.279 -0.323 -1.333 801 HB3 ALA 621 3HB ALA 621 -13.139 -0.384 -2.694 802 H ARG 622 H ARG 622 -14.366 -3.785 -1.334 803 HA ARG 622 HA ARG 622 -15.513 -3.508 1.230 804 HE ARG 622 HE ARG 622 -19.564 -4.690 0.088 805 HB2 ARG 622 1HB ARG 622 -15.565 -5.881 -0.679 806 HB3 ARG 622 2HB ARG 622 -16.542 -5.784 0.805 807 HG2 ARG 622 1HG ARG 622 -17.580 -3.681 0.004 808 HG3 ARG 622 2HG ARG 622 -16.607 -3.752 -1.450 809 HD2 ARG 622 1HD ARG 622 -18.422 -4.627 -2.371 810 HD3 ARG 622 2HD ARG 622 -17.755 -6.133 -1.740 811 HH11 ARG 622 2HH2 ARG 622 -19.554 -6.879 -2.670 812 HH12 ARG 622 1HH2 ARG 622 -21.133 -7.501 -2.387 813 HH21 ARG 622 2HH1 ARG 622 -21.552 -5.437 0.502 814 HH22 ARG 622 1HH1 ARG 622 -22.268 -6.806 -0.285 815 H CYS 623 H CYS 623 -12.811 -5.523 0.147 816 HA CYS 623 HA CYS 623 -12.469 -6.953 2.594 817 HG CYS 623 HG CYS 623 -11.010 -8.854 2.497 818 HB2 CYS 623 1HB CYS 623 -11.467 -7.417 0.291 819 HB3 CYS 623 2HB CYS 623 -10.264 -6.175 0.641 820 H MET 624 H MET 624 -11.320 -3.746 1.589 821 HA MET 624 HA MET 624 -9.401 -3.329 3.677 822 HB2 MET 624 1HB MET 624 -11.043 -1.448 1.983 823 HB3 MET 624 2HB MET 624 -10.151 -0.810 3.346 824 HG2 MET 624 1HG MET 624 -8.678 -2.569 1.395 825 HG3 MET 624 2HG MET 624 -9.111 -0.923 0.949 826 HE1 MET 624 3HE MET 624 -6.886 -0.233 0.363 827 HE2 MET 624 1HE MET 624 -5.490 -0.084 1.441 828 HE3 MET 624 2HE MET 624 -5.971 -1.681 0.857 829 H ARG 625 H ARG 625 -12.917 -3.322 3.879 830 HA ARG 625 HA ARG 625 -13.200 -2.085 6.416 831 HE ARG 625 HE ARG 625 -17.953 -1.896 5.543 832 HB2 ARG 625 1HB ARG 625 -14.665 -4.465 5.228 833 HB3 ARG 625 2HB ARG 625 -15.236 -3.499 6.592 834 HG2 ARG 625 1HG ARG 625 -15.356 -1.514 5.150 835 HG3 ARG 625 2HG ARG 625 -14.693 -2.442 3.786 836 HD2 ARG 625 1HD ARG 625 -17.014 -2.241 3.418 837 HD3 ARG 625 2HD ARG 625 -16.646 -3.924 3.786 838 HH11 ARG 625 2HH2 ARG 625 -17.125 -5.354 5.027 839 HH12 ARG 625 1HH2 ARG 625 -18.562 -5.887 5.849 840 HH21 ARG 625 2HH1 ARG 625 -19.475 -2.691 7.027 841 HH22 ARG 625 1HH1 ARG 625 -19.693 -4.411 7.258 842 H SER 626 H SER 626 -11.831 -5.267 5.623 843 HA SER 626 HA SER 626 -11.658 -6.093 8.449 844 HG SER 626 HG SER 626 -12.438 -8.904 6.543 845 HB2 SER 626 1HB SER 626 -10.693 -7.413 5.866 846 HB3 SER 626 2HB SER 626 -10.621 -8.114 7.489 847 H LEU 627 H LEU 627 -10.056 -3.759 6.812 848 HA LEU 627 HA LEU 627 -7.449 -4.259 8.067 849 HG LEU 627 HG LEU 627 -6.576 -1.490 8.380 850 HB2 LEU 627 1HB LEU 627 -7.591 -2.935 5.890 851 HB3 LEU 627 2HB LEU 627 -8.542 -1.739 6.786 852 HD11 LEU 627 1HD1 LEU 627 -5.077 -2.885 6.125 853 HD12 LEU 627 2HD1 LEU 627 -4.359 -2.063 7.524 854 HD13 LEU 627 3HD1 LEU 627 -5.300 -3.526 7.772 855 HD21 LEU 627 3HD2 LEU 627 -5.477 0.088 6.978 856 HD22 LEU 627 1HD2 LEU 627 -6.115 -0.679 5.495 857 HD23 LEU 627 2HD2 LEU 627 -7.198 0.151 6.644 858 H LYS 628 H LYS 628 -7.021 -3.293 10.029 859 HA LYS 628 HA LYS 628 -9.111 -1.687 11.431 860 HB2 LYS 628 1HB LYS 628 -7.325 -3.885 12.549 861 HB3 LYS 628 2HB LYS 628 -8.508 -2.988 13.471 862 HG2 LYS 628 1HG LYS 628 -9.371 -4.733 11.103 863 HG3 LYS 628 2HG LYS 628 -9.025 -5.404 12.673 864 HD2 LYS 628 1HD LYS 628 -11.368 -5.106 12.533 865 HD3 LYS 628 2HD LYS 628 -10.706 -3.987 13.732 866 HE2 LYS 628 1HE LYS 628 -10.755 -2.407 11.453 867 HE3 LYS 628 2HE LYS 628 -12.103 -3.473 11.137 868 HZ1 LYS 628 3HZ LYS 628 -13.048 -2.825 13.261 869 HZ2 LYS 628 1HZ LYS 628 -11.774 -1.815 13.574 870 HZ3 LYS 628 2HZ LYS 628 -12.771 -1.508 12.313 871 H ALA 629 H ALA 629 -5.931 -1.708 10.313 872 HA ALA 629 HA ALA 629 -4.911 0.280 12.178 873 HB1 ALA 629 1HB ALA 629 -3.047 0.327 10.613 874 HB2 ALA 629 2HB ALA 629 -3.443 -1.373 10.884 875 HB3 ALA 629 3HB ALA 629 -3.967 -0.557 9.391 876 HA PRO 630 HA PRO 630 -6.642 3.561 9.450 877 HB2 PRO 630 1HB PRO 630 -4.231 5.204 9.583 878 HB3 PRO 630 2HB PRO 630 -5.792 5.483 10.387 879 HG2 PRO 630 1HG PRO 630 -3.428 4.814 11.742 880 HG3 PRO 630 2HG PRO 630 -5.079 4.533 12.361 881 HD2 PRO 630 1HD PRO 630 -3.245 2.584 10.962 882 HD3 PRO 630 2HD PRO 630 -4.270 2.335 12.388 883 H ALA 631 H ALA 631 -6.393 4.073 7.196 884 HA ALA 631 HA ALA 631 -3.717 3.697 5.966 885 HB1 ALA 631 1HB ALA 631 -4.782 2.622 3.980 886 HB2 ALA 631 2HB ALA 631 -4.895 1.625 5.426 887 HB3 ALA 631 3HB ALA 631 -6.318 2.530 4.867 888 H VAL 632 H VAL 632 -3.229 5.206 4.492 889 HA VAL 632 HA VAL 632 -5.383 6.638 3.098 890 HB VAL 632 HB VAL 632 -2.391 6.837 2.705 891 HG11 VAL 632 1HG1 VAL 632 -2.970 8.709 1.189 892 HG12 VAL 632 2HG1 VAL 632 -3.597 7.175 0.594 893 HG13 VAL 632 3HG1 VAL 632 -4.694 8.326 1.385 894 HG21 VAL 632 3HG2 VAL 632 -4.375 8.804 3.915 895 HG22 VAL 632 1HG2 VAL 632 -3.060 7.962 4.773 896 HG23 VAL 632 2HG2 VAL 632 -2.676 9.153 3.527 897 H VAL 633 H VAL 633 -6.171 5.755 1.255 898 HA VAL 633 HA VAL 633 -4.839 3.366 0.093 899 HB VAL 633 HB VAL 633 -7.788 4.011 -0.127 900 HG11 VAL 633 1HG1 VAL 633 -6.913 2.688 -2.001 901 HG12 VAL 633 2HG1 VAL 633 -6.092 1.580 -0.878 902 HG13 VAL 633 3HG1 VAL 633 -7.865 1.644 -0.954 903 HG21 VAL 633 3HG2 VAL 633 -7.433 3.437 2.186 904 HG22 VAL 633 1HG2 VAL 633 -8.134 2.040 1.355 905 HG23 VAL 633 2HG2 VAL 633 -6.390 2.065 1.744 906 H SER 634 H SER 634 -4.516 3.670 -2.313 907 HA SER 634 HA SER 634 -5.704 6.177 -3.372 908 HG SER 634 HG SER 634 -4.078 6.558 -5.660 909 HB2 SER 634 1HB SER 634 -3.328 6.638 -2.902 910 HB3 SER 634 2HB SER 634 -2.892 5.325 -4.029 911 H VAL 635 H VAL 635 -6.897 5.825 -4.996 912 HA VAL 635 HA VAL 635 -6.711 3.405 -6.664 913 HB VAL 635 HB VAL 635 -8.682 4.499 -7.783 914 HG11 VAL 635 1HG1 VAL 635 -10.265 3.827 -6.081 915 HG12 VAL 635 2HG1 VAL 635 -8.892 2.699 -6.080 916 HG13 VAL 635 3HG1 VAL 635 -9.028 3.923 -4.805 917 HG21 VAL 635 3HG2 VAL 635 -8.164 6.853 -6.872 918 HG22 VAL 635 1HG2 VAL 635 -9.830 6.301 -6.738 919 HG23 VAL 635 2HG2 VAL 635 -8.805 6.284 -5.309 920 H SER 636 H SER 636 -7.255 4.172 -9.128 921 HA SER 636 HA SER 636 -4.821 5.222 -10.105 922 HG SER 636 HG SER 636 -8.212 5.007 -11.591 923 HB2 SER 636 1HB SER 636 -6.066 4.800 -12.310 924 HB3 SER 636 2HB SER 636 -5.870 3.404 -11.229 925 H SER 637 H SER 637 -7.940 6.701 -9.464 926 HA SER 637 HA SER 637 -7.396 9.156 -10.995 927 HG SER 637 HG SER 637 -10.093 6.419 -12.332 928 HB2 SER 637 1HB SER 637 -9.756 8.459 -12.053 929 HB3 SER 637 2HB SER 637 -8.236 8.008 -12.832 930 HA PRO 638 HA PRO 638 -9.907 10.692 -7.890 931 HB2 PRO 638 1HB PRO 638 -11.238 12.806 -8.993 932 HB3 PRO 638 2HB PRO 638 -9.465 12.795 -8.738 933 HG2 PRO 638 1HG PRO 638 -11.021 12.217 -11.276 934 HG3 PRO 638 2HG PRO 638 -9.528 13.194 -11.070 935 HD2 PRO 638 1HD PRO 638 -9.490 10.616 -11.934 936 HD3 PRO 638 2HD PRO 638 -8.176 11.340 -10.976 937 H ASP 639 H ASP 639 -11.632 9.869 -10.854 938 HA ASP 639 HA ASP 639 -14.277 9.916 -9.729 939 HB2 ASP 639 1HB ASP 639 -13.134 8.624 -12.232 940 HB3 ASP 639 2HB ASP 639 -14.851 8.786 -11.882 941 H ALA 640 H ALA 640 -11.676 7.633 -9.628 942 HA ALA 640 HA ALA 640 -13.314 5.227 -8.981 943 HB1 ALA 640 1HB ALA 640 -11.257 4.859 -10.203 944 HB2 ALA 640 2HB ALA 640 -10.318 5.727 -8.967 945 HB3 ALA 640 3HB ALA 640 -11.141 4.196 -8.565 946 H VAL 641 H VAL 641 -11.867 8.043 -7.321 947 HA VAL 641 HA VAL 641 -11.508 6.764 -4.803 948 HB VAL 641 HB VAL 641 -12.164 9.664 -5.439 949 HG11 VAL 641 1HG1 VAL 641 -11.026 8.348 -2.929 950 HG12 VAL 641 2HG1 VAL 641 -10.991 10.090 -3.198 951 HG13 VAL 641 3HG1 VAL 641 -12.545 9.269 -3.046 952 HG21 VAL 641 3HG2 VAL 641 -9.448 8.432 -4.894 953 HG22 VAL 641 1HG2 VAL 641 -10.049 8.891 -6.499 954 HG23 VAL 641 2HG2 VAL 641 -9.794 10.133 -5.268 955 H THR 642 H THR 642 -14.193 8.981 -5.810 956 HA THR 642 HA THR 642 -15.883 8.390 -3.708 957 HB THR 642 HB THR 642 -16.510 9.235 -6.556 958 HG1 THR 642 1HG THR 642 -16.346 11.330 -5.439 959 HG21 THR 642 3HG2 THR 642 -18.471 10.398 -5.543 960 HG22 THR 642 1HG2 THR 642 -18.603 8.644 -5.397 961 HG23 THR 642 2HG2 THR 642 -18.124 9.606 -3.988 962 H THR 643 H THR 643 -15.582 6.567 -6.820 963 HA THR 643 HA THR 643 -17.715 4.773 -6.252 964 HB THR 643 HB THR 643 -15.234 3.783 -7.694 965 HG1 THR 643 1HG THR 643 -15.525 5.834 -8.726 966 HG21 THR 643 3HG2 THR 643 -16.928 2.730 -9.116 967 HG22 THR 643 1HG2 THR 643 -17.334 2.411 -7.419 968 HG23 THR 643 2HG2 THR 643 -18.235 3.636 -8.304 969 H TYR 644 H TYR 644 -14.230 4.653 -5.371 970 HA TYR 644 HA TYR 644 -14.180 2.025 -4.440 971 HD1 TYR 644 1HD TYR 644 -12.100 3.202 -1.335 972 HD2 TYR 644 2HD TYR 644 -11.175 1.477 -5.164 973 HE1 TYR 644 1HE TYR 644 -10.752 1.483 -0.179 974 HE2 TYR 644 2HE TYR 644 -9.901 -0.389 -3.986 975 HH TYR 644 HH TYR 644 -9.947 -0.731 -0.515 976 HB2 TYR 644 1HB TYR 644 -12.256 3.489 -5.022 977 HB3 TYR 644 2HB TYR 644 -12.486 4.405 -3.533 978 H ASN 645 H ASN 645 -14.603 5.144 -2.714 979 HA ASN 645 HA ASN 645 -15.111 4.111 -0.083 980 HB2 ASN 645 1HB ASN 645 -16.031 6.719 -1.390 981 HB3 ASN 645 2HB ASN 645 -16.157 6.332 0.309 982 HD21 ASN 645 1HD2 ASN 645 -13.996 7.336 -2.193 983 HD22 ASN 645 2HD2 ASN 645 -12.718 7.797 -1.112 984 H GLY 646 H GLY 646 -17.053 4.758 -2.888 985 HA2 GLY 646 1HA GLY 646 -19.720 4.338 -2.133 986 HA3 GLY 646 2HA GLY 646 -19.011 3.860 -3.675 987 H TYR 647 H TYR 647 -17.622 1.806 -3.562 988 HA TYR 647 HA TYR 647 -19.093 -0.392 -2.850 989 HD1 TYR 647 1HD TYR 647 -19.113 -1.339 -4.951 990 HD2 TYR 647 2HD TYR 647 -15.122 0.410 -5.111 991 HE1 TYR 647 1HE TYR 647 -19.167 -1.300 -7.403 992 HE2 TYR 647 2HE TYR 647 -15.242 0.590 -7.405 993 HH TYR 647 HH TYR 647 -17.841 -1.012 -9.345 994 HB2 TYR 647 1HB TYR 647 -16.095 -0.176 -2.965 995 HB3 TYR 647 2HB TYR 647 -16.983 -1.680 -3.057 996 H LEU 648 H LEU 648 -16.915 1.385 -0.782 997 HA LEU 648 HA LEU 648 -16.737 -0.491 1.359 998 HG LEU 648 HG LEU 648 -14.592 0.074 0.880 999 HB2 LEU 648 1HB LEU 648 -15.945 2.302 0.789 1000 HB3 LEU 648 2HB LEU 648 -16.295 2.003 2.484 1001 HD11 LEU 648 1HD1 LEU 648 -13.491 2.600 2.109 1002 HD12 LEU 648 2HD1 LEU 648 -12.537 1.175 1.611 1003 HD13 LEU 648 3HD1 LEU 648 -13.451 2.109 0.399 1004 HD21 LEU 648 3HD2 LEU 648 -13.655 -0.494 3.028 1005 HD22 LEU 648 1HD2 LEU 648 -14.340 0.951 3.780 1006 HD23 LEU 648 2HD2 LEU 648 -15.421 -0.339 3.245 1007 H THR 649 H THR 649 -19.260 1.847 0.603 1008 HA THR 649 HA THR 649 -20.996 0.570 2.441 1009 HB THR 649 HB THR 649 -19.894 1.760 4.219 1010 HG1 THR 649 1HG THR 649 -21.943 1.756 4.776 1011 HG21 THR 649 3HG2 THR 649 -19.789 4.188 4.383 1012 HG22 THR 649 1HG2 THR 649 -18.912 3.624 2.954 1013 HG23 THR 649 2HG2 THR 649 -20.514 4.366 2.776 1014 H SER 650 H SER 650 -20.475 3.285 0.193 1015 HA SER 650 HA SER 650 -23.347 4.003 0.207 1016 HG SER 650 HG SER 650 -20.811 5.313 1.066 1017 HB2 SER 650 1HB SER 650 -21.155 5.451 -1.299 1018 HB3 SER 650 2HB SER 650 -22.777 6.009 -0.864 1019 H SER 651 H SER 651 -22.343 1.506 -0.951 1020 HA SER 651 HA SER 651 -23.377 0.117 -2.358 1021 HG SER 651 HG SER 651 -25.087 2.722 -2.901 1022 HB2 SER 651 1HB SER 651 -23.514 2.371 -4.310 1023 HB3 SER 651 2HB SER 651 -24.087 0.724 -4.601 Start of MODEL 12 1 H1 GLY -4 H GLY -4 -14.673 15.355 4.998 2 HA2 GLY -4 1HA GLY -4 -13.162 14.494 6.726 3 HA3 GLY -4 2HA GLY -4 -14.851 14.088 7.095 4 H SER -3 H SER -3 -11.706 12.831 6.453 5 HA SER -3 HA SER -3 -12.660 10.106 6.762 6 HG SER -3 HG SER -3 -10.615 11.763 4.295 7 HB2 SER -3 1HB SER -3 -11.172 9.420 4.769 8 HB3 SER -3 2HB SER -3 -12.814 9.972 4.466 9 H HIS -2 H HIS -2 -11.539 9.871 8.594 10 HA HIS -2 HA HIS -2 -8.954 11.007 9.139 11 HD1 HIS -2 1HD HIS -2 -10.544 11.016 13.103 12 HD2 HIS -2 2HD HIS -2 -7.030 9.910 11.017 13 HE1 HIS -2 1HE HIS -2 -8.552 11.762 14.551 14 HE2 HIS -2 2HE HIS -2 -6.448 10.992 13.356 15 HB2 HIS -2 1HB HIS -2 -10.955 10.258 10.706 16 HB3 HIS -2 2HB HIS -2 -10.083 8.738 10.748 17 H MET -1 H MET -1 -7.752 10.299 7.364 18 HA MET -1 HA MET -1 -6.438 9.061 6.014 19 HB2 MET -1 1HB MET -1 -6.280 7.220 8.389 20 HB3 MET -1 2HB MET -1 -5.606 6.787 6.824 21 HG2 MET -1 1HG MET -1 -3.857 7.618 8.091 22 HG3 MET -1 2HG MET -1 -4.202 8.810 6.842 23 HE1 MET -1 3HE MET -1 -3.943 11.308 7.461 24 HE2 MET -1 1HE MET -1 -5.708 11.099 7.413 25 HE3 MET -1 2HE MET -1 -4.961 12.020 8.732 26 H GLY 527 H GLY 527 -7.953 8.870 4.453 27 HA2 GLY 527 1HA GLY 527 -9.526 6.347 4.341 28 HA3 GLY 527 2HA GLY 527 -10.182 7.904 3.815 29 H THR 528 H THR 528 -10.381 6.307 1.870 30 HA THR 528 HA THR 528 -8.271 5.826 0.035 31 HB THR 528 HB THR 528 -11.203 6.671 -0.508 32 HG1 THR 528 1HG THR 528 -11.901 4.983 0.316 33 HG21 THR 528 3HG2 THR 528 -11.145 5.174 -2.332 34 HG22 THR 528 1HG2 THR 528 -9.723 6.178 -2.496 35 HG23 THR 528 2HG2 THR 528 -9.537 4.547 -1.884 36 H VAL 529 H VAL 529 -7.446 7.101 -1.622 37 HA VAL 529 HA VAL 529 -8.168 9.974 -1.826 38 HB VAL 529 HB VAL 529 -5.842 10.676 -1.704 39 HG11 VAL 529 1HG1 VAL 529 -7.285 10.710 0.325 40 HG12 VAL 529 2HG1 VAL 529 -6.522 9.188 0.827 41 HG13 VAL 529 3HG1 VAL 529 -5.524 10.640 0.648 42 HG21 VAL 529 3HG2 VAL 529 -4.613 8.632 -2.342 43 HG22 VAL 529 1HG2 VAL 529 -4.085 9.205 -0.750 44 HG23 VAL 529 2HG2 VAL 529 -5.182 7.823 -0.856 45 H SER 530 H SER 530 -6.480 10.927 -3.637 46 HA SER 530 HA SER 530 -6.221 9.028 -5.896 47 HG SER 530 HG SER 530 -7.387 12.302 -5.129 48 HB2 SER 530 1HB SER 530 -7.053 11.116 -7.260 49 HB3 SER 530 2HB SER 530 -8.199 9.977 -6.546 50 H TRP 531 H TRP 531 -4.011 8.991 -5.345 51 HA TRP 531 HA TRP 531 -2.470 11.515 -5.633 52 HD1 TRP 531 HD TRP 531 -3.922 12.286 -3.752 53 HE1 TRP 531 1HE TRP 531 -4.406 13.078 -1.400 54 HE3 TRP 531 3HE TRP 531 -0.469 9.464 -1.292 55 HZ2 TRP 531 2HZ TRP 531 -3.501 12.446 1.295 56 HZ3 TRP 531 3HZ TRP 531 -0.202 9.701 1.168 57 HH2 TRP 531 HH TRP 531 -1.753 11.161 2.456 58 HB2 TRP 531 1HB TRP 531 -1.962 9.154 -3.767 59 HB3 TRP 531 2HB TRP 531 -0.847 10.438 -4.058 60 H ASN 532 H ASN 532 -0.569 11.255 -6.796 61 HA ASN 532 HA ASN 532 -0.404 8.857 -8.511 62 HB2 ASN 532 1HB ASN 532 1.546 10.204 -9.552 63 HB3 ASN 532 2HB ASN 532 -0.088 10.695 -9.892 64 HD21 ASN 532 1HD2 ASN 532 2.685 12.167 -9.688 65 HD22 ASN 532 2HD2 ASN 532 2.255 13.607 -8.797 66 H LEU 533 H LEU 533 1.682 7.881 -8.756 67 HA LEU 533 HA LEU 533 2.849 6.742 -6.604 68 HG LEU 533 HG LEU 533 5.225 5.329 -9.214 69 HB2 LEU 533 1HB LEU 533 3.086 6.062 -8.914 70 HB3 LEU 533 2HB LEU 533 3.981 7.509 -9.339 71 HD11 LEU 533 1HD1 LEU 533 6.410 7.429 -9.363 72 HD12 LEU 533 2HD1 LEU 533 6.357 7.645 -7.610 73 HD13 LEU 533 3HD1 LEU 533 7.282 6.316 -8.312 74 HD21 LEU 533 3HD2 LEU 533 4.233 4.469 -7.134 75 HD22 LEU 533 1HD2 LEU 533 6.000 4.482 -7.078 76 HD23 LEU 533 2HD2 LEU 533 5.083 5.726 -6.211 77 H ARG 534 H ARG 534 3.913 9.817 -8.067 78 HA ARG 534 HA ARG 534 6.185 10.252 -6.389 79 HE ARG 534 HE ARG 534 7.747 11.220 -10.928 80 HB2 ARG 534 1HB ARG 534 4.359 12.236 -7.790 81 HB3 ARG 534 2HB ARG 534 5.897 12.642 -7.076 82 HG2 ARG 534 1HG ARG 534 5.629 10.630 -9.363 83 HG3 ARG 534 2HG ARG 534 5.789 12.374 -9.580 84 HD2 ARG 534 1HD ARG 534 7.902 12.195 -8.113 85 HD3 ARG 534 2HD ARG 534 7.850 10.462 -8.464 86 HH11 ARG 534 2HH2 ARG 534 9.694 12.812 -8.391 87 HH12 ARG 534 1HH2 ARG 534 10.776 13.569 -9.498 88 HH21 ARG 534 2HH1 ARG 534 9.056 12.548 -12.427 89 HH22 ARG 534 1HH1 ARG 534 10.348 13.491 -11.779 90 H GLU 535 H GLU 535 2.705 11.169 -5.944 91 HA GLU 535 HA GLU 535 3.081 12.982 -3.773 92 HB2 GLU 535 1HB GLU 535 0.848 11.787 -5.187 93 HB3 GLU 535 2HB GLU 535 0.579 11.854 -3.442 94 HG2 GLU 535 1HG GLU 535 1.642 14.311 -4.780 95 HG3 GLU 535 2HG GLU 535 0.003 13.828 -5.069 96 H MET 536 H MET 536 2.067 9.593 -4.046 97 HA MET 536 HA MET 536 1.728 8.919 -1.357 98 HB2 MET 536 1HB MET 536 2.696 7.306 -3.761 99 HB3 MET 536 2HB MET 536 2.305 6.571 -2.219 100 HG2 MET 536 1HG MET 536 -0.026 7.466 -2.409 101 HG3 MET 536 2HG MET 536 0.411 8.279 -3.904 102 HE1 MET 536 3HE MET 536 0.319 5.172 -1.958 103 HE2 MET 536 1HE MET 536 -1.251 4.798 -2.711 104 HE3 MET 536 2HE MET 536 0.177 3.819 -3.106 105 H LEU 537 H LEU 537 4.651 8.640 -3.342 106 HA LEU 537 HA LEU 537 6.295 7.509 -1.270 107 HG LEU 537 HG LEU 537 6.015 6.404 -3.866 108 HB2 LEU 537 1HB LEU 537 6.727 8.808 -3.948 109 HB3 LEU 537 2HB LEU 537 8.114 8.394 -2.931 110 HD11 LEU 537 1HD1 LEU 537 8.841 6.899 -4.893 111 HD12 LEU 537 2HD1 LEU 537 7.655 5.706 -5.526 112 HD13 LEU 537 3HD1 LEU 537 7.367 7.436 -5.687 113 HD21 LEU 537 3HD2 LEU 537 8.722 5.991 -2.498 114 HD22 LEU 537 1HD2 LEU 537 7.129 5.598 -1.831 115 HD23 LEU 537 2HD2 LEU 537 7.724 4.694 -3.214 116 H ALA 538 H ALA 538 6.051 10.938 -2.533 117 HA ALA 538 HA ALA 538 8.075 11.895 -0.687 118 HB1 ALA 538 1HB ALA 538 7.168 14.123 -1.300 119 HB2 ALA 538 2HB ALA 538 7.407 13.131 -2.746 120 HB3 ALA 538 3HB ALA 538 5.771 13.362 -2.088 121 H HIS 539 H HIS 539 4.521 11.511 -0.472 122 HA HIS 539 HA HIS 539 4.208 12.754 2.068 123 HD1 HIS 539 1HD HIS 539 1.336 13.783 2.141 124 HD2 HIS 539 2HD HIS 539 1.513 9.738 3.254 125 HE1 HIS 539 1HE HIS 539 -0.157 13.566 4.224 126 HE2 HIS 539 2HE HIS 539 -0.109 11.057 4.913 127 HB2 HIS 539 1HB HIS 539 2.352 11.975 0.457 128 HB3 HIS 539 2HB HIS 539 2.637 10.353 1.035 129 H ALA 540 H ALA 540 4.954 9.324 1.170 130 HA ALA 540 HA ALA 540 5.043 8.368 3.861 131 HB1 ALA 540 1HB ALA 540 6.111 6.402 2.887 132 HB2 ALA 540 2HB ALA 540 4.736 6.910 1.889 133 HB3 ALA 540 3HB ALA 540 6.403 7.266 1.361 134 H GLU 541 H GLU 541 7.616 9.690 1.663 135 HA GLU 541 HA GLU 541 9.775 9.210 3.431 136 HB2 GLU 541 1HB GLU 541 9.202 10.904 0.981 137 HB3 GLU 541 2HB GLU 541 10.564 11.389 1.962 138 HG2 GLU 541 1HG GLU 541 11.192 8.861 1.941 139 HG3 GLU 541 2HG GLU 541 10.096 8.770 0.562 140 H GLU 542 H GLU 542 7.636 11.985 3.077 141 HA GLU 542 HA GLU 542 8.959 13.600 5.022 142 HB2 GLU 542 1HB GLU 542 7.509 14.395 3.215 143 HB3 GLU 542 2HB GLU 542 6.084 13.685 4.010 144 HG2 GLU 542 1HG GLU 542 6.168 15.250 5.785 145 HG3 GLU 542 2HG GLU 542 7.879 15.612 5.491 146 H THR 543 H THR 543 6.021 11.534 5.284 147 HA THR 543 HA THR 543 5.831 12.117 8.162 148 HB THR 543 HB THR 543 3.929 10.548 8.077 149 HG1 THR 543 1HG THR 543 4.459 10.439 5.284 150 HG21 THR 543 3HG2 THR 543 3.827 12.657 5.884 151 HG22 THR 543 1HG2 THR 543 2.435 11.891 6.678 152 HG23 THR 543 2HG2 THR 543 3.534 12.913 7.617 153 H ARG 544 H ARG 544 7.626 9.895 6.306 154 HA ARG 544 HA ARG 544 8.624 7.928 6.595 155 HE ARG 544 HE ARG 544 13.024 8.819 8.538 156 HB2 ARG 544 1HB ARG 544 8.892 9.084 9.356 157 HB3 ARG 544 2HB ARG 544 9.716 7.600 8.901 158 HG2 ARG 544 1HG ARG 544 10.031 10.161 7.298 159 HG3 ARG 544 2HG ARG 544 10.956 9.895 8.748 160 HD2 ARG 544 1HD ARG 544 10.993 7.773 6.592 161 HD3 ARG 544 2HD ARG 544 11.909 9.257 6.367 162 HH11 ARG 544 2HH2 ARG 544 11.702 6.011 6.824 163 HH12 ARG 544 1HH2 ARG 544 12.949 4.919 7.377 164 HH21 ARG 544 2HH1 ARG 544 14.676 7.263 9.327 165 HH22 ARG 544 1HH1 ARG 544 14.466 5.603 8.838 166 H LYS 545 H LYS 545 5.692 7.941 6.812 167 HA LYS 545 HA LYS 545 5.001 5.866 8.763 168 HB2 LYS 545 1HB LYS 545 3.379 7.107 6.481 169 HB3 LYS 545 2HB LYS 545 2.755 5.878 7.564 170 HG2 LYS 545 1HG LYS 545 2.903 7.193 9.497 171 HG3 LYS 545 2HG LYS 545 3.927 8.406 8.733 172 HD2 LYS 545 1HD LYS 545 2.088 9.231 7.384 173 HD3 LYS 545 2HD LYS 545 1.068 7.893 7.856 174 HE2 LYS 545 1HE LYS 545 0.629 10.165 8.984 175 HE3 LYS 545 2HE LYS 545 0.669 8.739 10.005 176 HZ1 LYS 545 3HZ LYS 545 1.909 10.490 11.021 177 HZ2 LYS 545 1HZ LYS 545 2.937 9.301 10.653 178 HZ3 LYS 545 2HZ LYS 545 2.893 10.682 9.750 179 H LEU 546 H LEU 546 3.524 4.025 7.636 180 HA LEU 546 HA LEU 546 5.617 2.363 6.450 181 HG LEU 546 HG LEU 546 3.519 -0.125 6.363 182 HB2 LEU 546 1HB LEU 546 4.544 1.735 8.562 183 HB3 LEU 546 2HB LEU 546 2.952 1.806 7.807 184 HD11 LEU 546 1HD1 LEU 546 6.154 -0.138 7.912 185 HD12 LEU 546 2HD1 LEU 546 5.557 -1.482 6.936 186 HD13 LEU 546 3HD1 LEU 546 5.952 0.034 6.151 187 HD21 LEU 546 3HD2 LEU 546 3.567 -1.793 8.174 188 HD22 LEU 546 1HD2 LEU 546 4.073 -0.548 9.332 189 HD23 LEU 546 2HD2 LEU 546 2.472 -0.449 8.581 190 H MET 547 H MET 547 5.493 1.535 4.413 191 HA MET 547 HA MET 547 2.906 1.639 2.915 192 HB2 MET 547 1HB MET 547 4.378 3.421 2.169 193 HB3 MET 547 2HB MET 547 5.715 2.289 1.953 194 HG2 MET 547 1HG MET 547 4.435 1.069 0.232 195 HG3 MET 547 2HG MET 547 3.073 2.156 0.439 196 HE1 MET 547 3HE MET 547 4.437 5.496 -1.147 197 HE2 MET 547 1HE MET 547 3.045 4.687 -0.393 198 HE3 MET 547 2HE MET 547 4.485 5.083 0.576 199 HA PRO 548 HA PRO 548 4.389 -2.647 2.381 200 HB2 PRO 548 1HB PRO 548 1.972 -3.754 1.589 201 HB3 PRO 548 2HB PRO 548 2.520 -3.631 3.288 202 HG2 PRO 548 1HG PRO 548 0.686 -1.863 1.720 203 HG3 PRO 548 2HG PRO 548 0.493 -2.389 3.422 204 HD2 PRO 548 1HD PRO 548 1.418 0.096 2.710 205 HD3 PRO 548 2HD PRO 548 2.006 -0.749 4.175 206 H ILE 549 H ILE 549 4.670 -3.957 0.406 207 HA ILE 549 HA ILE 549 3.623 -2.824 -2.113 208 HB ILE 549 HB ILE 549 6.610 -3.362 -1.732 209 HG12 ILE 549 1HG1 ILE 549 6.712 -0.810 -2.358 210 HG13 ILE 549 2HG1 ILE 549 5.108 -0.770 -1.666 211 HG21 ILE 549 1HG2 ILE 549 4.960 -2.338 -4.080 212 HG22 ILE 549 2HG2 ILE 549 6.731 -2.330 -4.012 213 HG23 ILE 549 3HG2 ILE 549 5.875 -3.859 -3.998 214 HD11 ILE 549 3HD1 ILE 549 6.477 -2.082 0.318 215 HD12 ILE 549 1HD1 ILE 549 7.779 -1.139 -0.433 216 HD13 ILE 549 2HD1 ILE 549 6.298 -0.331 0.138 217 H CYS 550 H CYS 550 3.051 -4.453 -3.547 218 HA CYS 550 HA CYS 550 3.563 -7.225 -2.788 219 HG CYS 550 HG CYS 550 2.008 -8.695 -3.198 220 HB2 CYS 550 1HB CYS 550 1.482 -6.157 -4.054 221 HB3 CYS 550 2HB CYS 550 2.490 -6.344 -5.488 222 H MET 551 H MET 551 5.412 -8.255 -3.315 223 HA MET 551 HA MET 551 7.576 -7.207 -4.765 224 HB2 MET 551 1HB MET 551 6.741 -10.057 -4.198 225 HB3 MET 551 2HB MET 551 8.298 -9.656 -4.902 226 HG2 MET 551 1HG MET 551 7.347 -8.618 -2.214 227 HG3 MET 551 2HG MET 551 8.147 -10.168 -2.458 228 HE1 MET 551 3HE MET 551 11.069 -8.443 -0.832 229 HE2 MET 551 1HE MET 551 9.471 -9.125 -0.514 230 HE3 MET 551 2HE MET 551 10.666 -10.063 -1.441 231 H ASP 552 H ASP 552 4.793 -8.922 -5.913 232 HA ASP 552 HA ASP 552 5.520 -9.921 -8.422 233 HB2 ASP 552 1HB ASP 552 3.400 -10.459 -7.527 234 HB3 ASP 552 2HB ASP 552 2.926 -8.767 -7.347 235 H VAL 553 H VAL 553 4.689 -6.504 -7.616 236 HA VAL 553 HA VAL 553 4.395 -5.962 -10.470 237 HB VAL 553 HB VAL 553 4.109 -4.056 -8.134 238 HG11 VAL 553 1HG1 VAL 553 2.761 -2.733 -9.750 239 HG12 VAL 553 2HG1 VAL 553 4.416 -2.929 -10.364 240 HG13 VAL 553 3HG1 VAL 553 3.080 -3.909 -11.018 241 HG21 VAL 553 3HG2 VAL 553 2.460 -5.880 -7.938 242 HG22 VAL 553 1HG2 VAL 553 1.642 -4.426 -8.514 243 HG23 VAL 553 2HG2 VAL 553 2.035 -5.722 -9.655 244 H ARG 554 H ARG 554 6.436 -6.648 -10.951 245 HA ARG 554 HA ARG 554 8.853 -5.798 -10.179 246 HE ARG 554 HE ARG 554 8.803 -8.010 -15.218 247 HB2 ARG 554 1HB ARG 554 9.782 -6.330 -12.345 248 HB3 ARG 554 2HB ARG 554 8.631 -7.540 -11.774 249 HG2 ARG 554 1HG ARG 554 7.422 -7.335 -13.638 250 HG3 ARG 554 2HG ARG 554 7.147 -5.634 -13.345 251 HD2 ARG 554 1HD ARG 554 8.183 -5.424 -15.347 252 HD3 ARG 554 2HD ARG 554 9.600 -5.329 -14.295 253 HH11 ARG 554 2HH2 ARG 554 10.748 -5.158 -16.161 254 HH12 ARG 554 1HH2 ARG 554 11.681 -6.038 -17.308 255 HH21 ARG 554 2HH1 ARG 554 9.980 -9.110 -16.799 256 HH22 ARG 554 1HH1 ARG 554 11.210 -8.285 -17.713 257 H ALA 555 H ALA 555 6.695 -3.815 -12.067 258 HA ALA 555 HA ALA 555 8.597 -1.861 -12.931 259 HB1 ALA 555 1HB ALA 555 5.581 -1.630 -12.434 260 HB2 ALA 555 2HB ALA 555 6.572 -0.445 -13.300 261 HB3 ALA 555 3HB ALA 555 6.361 -2.076 -13.966 262 H ILE 556 H ILE 556 6.345 -2.014 -10.112 263 HA ILE 556 HA ILE 556 7.168 0.436 -8.877 264 HB ILE 556 HB ILE 556 5.857 -2.060 -7.729 265 HG12 ILE 556 1HG1 ILE 556 4.678 0.689 -8.360 266 HG13 ILE 556 2HG1 ILE 556 4.564 -0.690 -9.447 267 HG21 ILE 556 1HG2 ILE 556 5.325 -0.667 -5.739 268 HG22 ILE 556 2HG2 ILE 556 7.050 -0.877 -5.934 269 HG23 ILE 556 3HG2 ILE 556 6.290 0.661 -6.404 270 HD11 ILE 556 3HD1 ILE 556 3.357 -0.529 -6.661 271 HD12 ILE 556 1HD1 ILE 556 2.500 -0.516 -8.214 272 HD13 ILE 556 2HD1 ILE 556 3.347 -1.973 -7.661 273 H MET 557 H MET 557 8.195 -2.976 -8.541 274 HA MET 557 HA MET 557 10.102 -2.511 -6.529 275 HB2 MET 557 1HB MET 557 10.159 -4.601 -8.750 276 HB3 MET 557 2HB MET 557 11.125 -4.675 -7.291 277 HG2 MET 557 1HG MET 557 8.095 -4.871 -7.501 278 HG3 MET 557 2HG MET 557 9.217 -6.150 -7.128 279 HE1 MET 557 3HE MET 557 10.458 -4.864 -3.524 280 HE2 MET 557 1HE MET 557 11.052 -5.580 -5.032 281 HE3 MET 557 2HE MET 557 10.959 -3.793 -4.852 282 H ALA 558 H ALA 558 10.451 -1.960 -10.005 283 HA ALA 558 HA ALA 558 13.331 -1.431 -9.807 284 HB1 ALA 558 1HB ALA 558 12.410 -2.125 -11.922 285 HB2 ALA 558 2HB ALA 558 11.289 -0.741 -11.966 286 HB3 ALA 558 3HB ALA 558 13.042 -0.478 -12.066 287 H THR 559 H THR 559 10.300 0.526 -9.914 288 HA THR 559 HA THR 559 11.380 3.087 -9.853 289 HB THR 559 HB THR 559 8.853 1.792 -8.837 290 HG1 THR 559 1HG THR 559 8.291 3.480 -10.623 291 HG21 THR 559 3HG2 THR 559 9.444 4.748 -8.600 292 HG22 THR 559 1HG2 THR 559 7.824 4.007 -8.560 293 HG23 THR 559 2HG2 THR 559 8.993 3.606 -7.306 294 H ILE 560 H ILE 560 10.614 0.981 -7.014 295 HA ILE 560 HA ILE 560 11.796 2.805 -5.160 296 HB ILE 560 HB ILE 560 11.003 -0.160 -5.026 297 HG12 ILE 560 1HG1 ILE 560 10.004 2.467 -3.785 298 HG13 ILE 560 2HG1 ILE 560 9.312 1.737 -5.234 299 HG21 ILE 560 1HG2 ILE 560 12.041 1.572 -2.708 300 HG22 ILE 560 2HG2 ILE 560 11.371 -0.068 -2.581 301 HG23 ILE 560 3HG2 ILE 560 12.896 0.181 -3.416 302 HD11 ILE 560 3HD1 ILE 560 9.195 0.209 -2.662 303 HD12 ILE 560 1HD1 ILE 560 8.092 1.566 -2.995 304 HD13 ILE 560 2HD1 ILE 560 8.133 0.206 -4.108 305 H GLN 561 H GLN 561 13.233 -0.258 -6.526 306 HA GLN 561 HA GLN 561 15.633 0.111 -5.119 307 HB2 GLN 561 1HB GLN 561 15.027 -1.357 -7.700 308 HB3 GLN 561 2HB GLN 561 16.637 -1.374 -6.956 309 HG2 GLN 561 1HG GLN 561 15.783 -2.241 -4.879 310 HG3 GLN 561 2HG GLN 561 14.111 -2.147 -5.434 311 HE21 GLN 561 1HE2 GLN 561 13.501 -3.456 -7.313 312 HE22 GLN 561 2HE2 GLN 561 14.285 -5.044 -7.534 313 H ARG 562 H ARG 562 14.699 1.645 -8.103 314 HA ARG 562 HA ARG 562 17.233 2.786 -8.813 315 HE ARG 562 HE ARG 562 15.468 4.333 -12.775 316 HB2 ARG 562 1HB ARG 562 14.373 3.719 -9.260 317 HB3 ARG 562 2HB ARG 562 15.762 4.608 -9.898 318 HG2 ARG 562 1HG ARG 562 16.431 2.800 -11.317 319 HG3 ARG 562 2HG ARG 562 15.447 1.641 -10.456 320 HD2 ARG 562 1HD ARG 562 14.129 1.855 -12.250 321 HD3 ARG 562 2HD ARG 562 13.411 3.145 -11.295 322 HH11 ARG 562 2HH2 ARG 562 12.389 2.695 -13.602 323 HH12 ARG 562 1HH2 ARG 562 12.442 3.246 -15.247 324 HH21 ARG 562 2HH1 ARG 562 15.470 4.957 -15.018 325 HH22 ARG 562 1HH1 ARG 562 14.458 4.092 -16.123 326 H LYS 563 H LYS 563 14.618 4.442 -6.831 327 HA LYS 563 HA LYS 563 16.506 6.518 -6.080 328 HB2 LYS 563 1HB LYS 563 13.743 6.299 -6.103 329 HB3 LYS 563 2HB LYS 563 14.071 6.054 -4.423 330 HG2 LYS 563 1HG LYS 563 15.637 8.156 -4.591 331 HG3 LYS 563 2HG LYS 563 14.708 8.506 -6.046 332 HD2 LYS 563 1HD LYS 563 13.542 9.688 -4.384 333 HD3 LYS 563 2HD LYS 563 12.613 8.212 -4.559 334 HE2 LYS 563 1HE LYS 563 12.709 8.215 -2.297 335 HE3 LYS 563 2HE LYS 563 14.246 7.393 -2.539 336 HZ1 LYS 563 3HZ LYS 563 14.039 10.326 -2.290 337 HZ2 LYS 563 1HZ LYS 563 14.089 9.393 -0.970 338 HZ3 LYS 563 2HZ LYS 563 15.376 9.393 -2.017 339 H TYR 564 H TYR 564 15.444 3.513 -4.689 340 HA TYR 564 HA TYR 564 16.850 4.068 -2.125 341 HD1 TYR 564 1HD TYR 564 13.100 4.081 -3.703 342 HD2 TYR 564 2HD TYR 564 14.535 4.336 0.355 343 HE1 TYR 564 1HE TYR 564 11.397 5.831 -3.205 344 HE2 TYR 564 2HE TYR 564 12.711 5.943 0.883 345 HH TYR 564 HH TYR 564 10.690 7.447 -1.611 346 HB2 TYR 564 1HB TYR 564 14.448 2.252 -2.608 347 HB3 TYR 564 2HB TYR 564 15.237 2.550 -1.087 348 H LYS 565 H LYS 565 18.791 3.233 -3.560 349 HA LYS 565 HA LYS 565 18.660 0.350 -3.917 350 HB2 LYS 565 1HB LYS 565 19.549 2.144 -5.569 351 HB3 LYS 565 2HB LYS 565 20.960 2.299 -4.510 352 HG2 LYS 565 1HG LYS 565 21.571 0.002 -4.871 353 HG3 LYS 565 2HG LYS 565 19.968 -0.346 -5.562 354 HD2 LYS 565 1HD LYS 565 20.434 0.769 -7.577 355 HD3 LYS 565 2HD LYS 565 21.861 1.605 -6.909 356 HE2 LYS 565 1HE LYS 565 23.143 -0.392 -6.799 357 HE3 LYS 565 2HE LYS 565 21.717 -1.424 -7.001 358 HZ1 LYS 565 3HZ LYS 565 21.590 -0.955 -9.222 359 HZ2 LYS 565 1HZ LYS 565 22.549 0.385 -9.169 360 HZ3 LYS 565 2HZ LYS 565 23.200 -1.112 -8.989 361 H GLY 566 H GLY 566 19.920 2.421 -1.378 362 HA2 GLY 566 1HA GLY 566 21.847 0.495 -0.402 363 HA3 GLY 566 2HA GLY 566 21.165 1.836 0.489 364 H ILE 567 H ILE 567 18.821 -0.290 -1.027 365 HA ILE 567 HA ILE 567 18.521 -1.865 1.387 366 HB ILE 567 HB ILE 567 16.992 -0.149 1.467 367 HG12 ILE 567 1HG1 ILE 567 16.369 -2.636 1.951 368 HG13 ILE 567 2HG1 ILE 567 15.274 -1.297 2.137 369 HG21 ILE 567 1HG2 ILE 567 16.712 0.675 -0.723 370 HG22 ILE 567 2HG2 ILE 567 16.026 -0.829 -1.334 371 HG23 ILE 567 3HG2 ILE 567 15.100 0.169 -0.200 372 HD11 ILE 567 3HD1 ILE 567 14.424 -3.421 0.904 373 HD12 ILE 567 1HD1 ILE 567 14.037 -1.832 0.184 374 HD13 ILE 567 2HD1 ILE 567 15.352 -2.783 -0.488 375 H LYS 568 H LYS 568 17.189 -3.835 0.896 376 HA LYS 568 HA LYS 568 17.709 -5.031 -1.788 377 HB2 LYS 568 1HB LYS 568 19.222 -5.796 0.724 378 HB3 LYS 568 2HB LYS 568 18.963 -6.963 -0.565 379 HG2 LYS 568 1HG LYS 568 20.175 -5.793 -2.171 380 HG3 LYS 568 2HG LYS 568 20.198 -4.291 -1.248 381 HD2 LYS 568 1HD LYS 568 21.577 -6.819 -0.280 382 HD3 LYS 568 2HD LYS 568 22.351 -5.551 -1.253 383 HE2 LYS 568 1HE LYS 568 21.401 -3.900 0.550 384 HE3 LYS 568 2HE LYS 568 21.176 -5.340 1.549 385 HZ1 LYS 568 3HZ LYS 568 23.705 -4.355 0.407 386 HZ2 LYS 568 1HZ LYS 568 23.229 -4.259 1.976 387 HZ3 LYS 568 2HZ LYS 568 23.564 -5.744 1.312 388 H ILE 569 H ILE 569 15.345 -4.588 -1.014 389 HA ILE 569 HA ILE 569 13.260 -5.565 -0.498 390 HB ILE 569 HB ILE 569 14.680 -7.043 -2.767 391 HG12 ILE 569 1HG1 ILE 569 15.141 -4.803 -3.244 392 HG13 ILE 569 2HG1 ILE 569 13.675 -5.198 -4.152 393 HG21 ILE 569 1HG2 ILE 569 12.529 -8.041 -2.449 394 HG22 ILE 569 2HG2 ILE 569 11.727 -6.458 -2.334 395 HG23 ILE 569 3HG2 ILE 569 12.416 -7.038 -3.867 396 HD11 ILE 569 3HD1 ILE 569 13.583 -2.941 -3.206 397 HD12 ILE 569 1HD1 ILE 569 12.276 -3.995 -2.659 398 HD13 ILE 569 2HD1 ILE 569 13.632 -3.635 -1.578 399 H GLN 570 H GLN 570 12.703 -6.603 1.099 400 HA GLN 570 HA GLN 570 13.398 -9.478 1.545 401 HB2 GLN 570 1HB GLN 570 13.384 -8.997 4.007 402 HB3 GLN 570 2HB GLN 570 14.819 -8.461 3.173 403 HG2 GLN 570 1HG GLN 570 12.618 -6.431 3.541 404 HG3 GLN 570 2HG GLN 570 13.391 -6.985 4.988 405 HE21 GLN 570 1HE2 GLN 570 15.302 -6.717 1.998 406 HE22 GLN 570 2HE2 GLN 570 16.200 -5.320 2.518 407 H GLU 571 H GLU 571 11.658 -10.736 2.201 408 HA GLU 571 HA GLU 571 9.023 -9.591 1.912 409 HB2 GLU 571 1HB GLU 571 10.394 -12.254 2.203 410 HB3 GLU 571 2HB GLU 571 8.767 -12.166 2.791 411 HG2 GLU 571 1HG GLU 571 7.884 -11.603 0.618 412 HG3 GLU 571 2HG GLU 571 9.509 -11.301 0.000 413 H GLY 572 H GLY 572 9.090 -8.030 3.690 414 HA2 GLY 572 1HA GLY 572 8.258 -8.551 6.261 415 HA3 GLY 572 2HA GLY 572 10.019 -8.819 6.282 416 H ILE 573 H ILE 573 9.741 -6.881 7.810 417 HA ILE 573 HA ILE 573 9.275 -4.284 6.542 418 HB ILE 573 HB ILE 573 10.416 -5.155 9.231 419 HG12 ILE 573 1HG1 ILE 573 7.934 -5.402 8.871 420 HG13 ILE 573 2HG1 ILE 573 8.425 -4.412 10.231 421 HG21 ILE 573 1HG2 ILE 573 10.295 -2.791 10.019 422 HG22 ILE 573 2HG2 ILE 573 11.555 -3.067 8.813 423 HG23 ILE 573 3HG2 ILE 573 10.049 -2.270 8.336 424 HD11 ILE 573 3HD1 ILE 573 6.461 -3.513 8.943 425 HD12 ILE 573 1HD1 ILE 573 7.798 -2.362 9.091 426 HD13 ILE 573 2HD1 ILE 573 7.542 -3.232 7.562 427 H VAL 574 H VAL 574 10.478 -2.904 5.835 428 HA VAL 574 HA VAL 574 13.395 -3.151 5.826 429 HB VAL 574 HB VAL 574 13.238 -3.389 3.648 430 HG11 VAL 574 1HG1 VAL 574 11.334 -4.270 3.188 431 HG12 VAL 574 2HG1 VAL 574 10.385 -2.851 3.718 432 HG13 VAL 574 3HG1 VAL 574 11.289 -2.793 2.230 433 HG21 VAL 574 3HG2 VAL 574 12.348 -0.516 3.606 434 HG22 VAL 574 1HG2 VAL 574 14.009 -1.118 3.804 435 HG23 VAL 574 2HG2 VAL 574 13.140 -1.426 2.296 436 H ASP 575 H ASP 575 14.190 -1.105 6.664 437 HA ASP 575 HA ASP 575 12.405 1.240 6.594 438 HB2 ASP 575 1HB ASP 575 12.310 0.612 8.972 439 HB3 ASP 575 2HB ASP 575 14.077 0.658 9.054 440 H TYR 576 H TYR 576 13.393 2.102 4.929 441 HA TYR 576 HA TYR 576 16.107 3.107 5.316 442 HD1 TYR 576 1HD TYR 576 18.630 2.716 4.335 443 HD2 TYR 576 2HD TYR 576 15.893 1.988 1.125 444 HE1 TYR 576 1HE TYR 576 20.285 3.664 2.735 445 HE2 TYR 576 2HE TYR 576 17.557 2.816 -0.491 446 HH TYR 576 HH TYR 576 20.679 4.276 0.352 447 HB2 TYR 576 1HB TYR 576 16.715 0.951 4.422 448 HB3 TYR 576 2HB TYR 576 15.470 1.047 3.181 449 H GLY 577 H GLY 577 15.446 5.155 5.066 450 HA2 GLY 577 1HA GLY 577 14.737 7.078 4.054 451 HA3 GLY 577 2HA GLY 577 14.460 6.187 2.551 452 H VAL 578 H VAL 578 12.581 4.235 3.463 453 HA VAL 578 HA VAL 578 10.370 5.596 4.844 454 HB VAL 578 HB VAL 578 10.306 4.300 2.088 455 HG11 VAL 578 1HG1 VAL 578 7.913 4.929 3.852 456 HG12 VAL 578 2HG1 VAL 578 7.843 4.587 2.103 457 HG13 VAL 578 3HG1 VAL 578 8.405 3.340 3.205 458 HG21 VAL 578 3HG2 VAL 578 9.125 6.394 1.437 459 HG22 VAL 578 1HG2 VAL 578 9.356 7.002 3.093 460 HG23 VAL 578 2HG2 VAL 578 10.751 6.681 2.038 461 H ARG 579 H ARG 579 9.163 4.082 6.002 462 HA ARG 579 HA ARG 579 10.220 1.404 6.499 463 HE ARG 579 HE ARG 579 9.980 1.331 11.171 464 HB2 ARG 579 1HB ARG 579 7.942 3.105 7.523 465 HB3 ARG 579 2HB ARG 579 7.798 1.351 7.631 466 HG2 ARG 579 1HG ARG 579 9.831 1.145 8.903 467 HG3 ARG 579 2HG ARG 579 10.150 2.886 8.795 468 HD2 ARG 579 1HD ARG 579 8.303 3.434 10.178 469 HD3 ARG 579 2HD ARG 579 7.528 1.869 9.915 470 HH11 ARG 579 2HH2 ARG 579 6.998 3.093 12.046 471 HH12 ARG 579 1HH2 ARG 579 7.235 2.842 13.749 472 HH21 ARG 579 2HH1 ARG 579 10.008 0.672 13.353 473 HH22 ARG 579 1HH1 ARG 579 8.812 1.234 14.462 474 H PHE 580 H PHE 580 10.069 0.061 4.776 475 HA PHE 580 HA PHE 580 7.541 0.091 3.192 476 HD1 PHE 580 2HD PHE 580 7.503 1.034 0.958 477 HD2 PHE 580 1HD PHE 580 11.724 0.799 1.813 478 HE1 PHE 580 2HE PHE 580 7.899 2.940 -0.512 479 HE2 PHE 580 1HE PHE 580 12.123 2.703 0.329 480 HZ PHE 580 HZ PHE 580 10.224 3.796 -0.862 481 HB2 PHE 580 1HB PHE 580 10.322 -0.873 2.618 482 HB3 PHE 580 2HB PHE 580 8.974 -1.336 1.609 483 H PHE 581 H PHE 581 6.663 -2.173 2.707 484 HA PHE 581 HA PHE 581 7.630 -4.350 4.458 485 HD1 PHE 581 1HD PHE 581 7.086 -5.350 6.690 486 HD2 PHE 581 2HD PHE 581 3.270 -5.431 4.714 487 HE1 PHE 581 1HE PHE 581 6.557 -7.508 7.812 488 HE2 PHE 581 2HE PHE 581 2.725 -7.574 5.902 489 HZ PHE 581 HZ PHE 581 4.397 -8.627 7.378 490 HB2 PHE 581 1HB PHE 581 5.856 -3.237 5.751 491 HB3 PHE 581 2HB PHE 581 4.701 -3.502 4.464 492 H PHE 582 H PHE 582 8.372 -5.468 2.603 493 HA PHE 582 HA PHE 582 6.636 -5.666 0.259 494 HD1 PHE 582 2HD PHE 582 8.098 -4.770 -1.745 495 HD2 PHE 582 1HD PHE 582 10.976 -5.614 1.360 496 HE1 PHE 582 2HE PHE 582 9.252 -2.578 -2.144 497 HE2 PHE 582 1HE PHE 582 12.308 -3.726 0.614 498 HZ PHE 582 HZ PHE 582 11.375 -2.057 -0.892 499 HB2 PHE 582 1HB PHE 582 9.149 -7.229 0.813 500 HB3 PHE 582 2HB PHE 582 8.307 -7.085 -0.697 501 H TYR 583 H TYR 583 5.529 -7.543 -0.421 502 HA TYR 583 HA TYR 583 5.692 -9.995 1.175 503 HD1 TYR 583 1HD TYR 583 3.453 -6.360 1.138 504 HD2 TYR 583 2HD TYR 583 1.756 -10.122 -0.057 505 HE1 TYR 583 1HE TYR 583 1.881 -5.176 -0.363 506 HE2 TYR 583 2HE TYR 583 0.353 -9.006 -1.737 507 HH TYR 583 HH TYR 583 -0.436 -6.880 -2.517 508 HB2 TYR 583 1HB TYR 583 3.363 -10.055 1.710 509 HB3 TYR 583 2HB TYR 583 4.003 -8.537 2.327 510 H THR 584 H THR 584 4.068 -11.674 0.101 511 HA THR 584 HA THR 584 4.850 -11.705 -2.704 512 HB THR 584 HB THR 584 4.186 -14.136 -2.373 513 HG1 THR 584 1HG THR 584 3.632 -14.781 -0.291 514 HG21 THR 584 3HG2 THR 584 6.528 -13.312 -1.936 515 HG22 THR 584 1HG2 THR 584 6.098 -13.060 -0.232 516 HG23 THR 584 2HG2 THR 584 6.081 -14.680 -0.921 517 H SER 585 H SER 585 3.322 -12.220 -4.465 518 HA SER 585 HA SER 585 0.701 -11.106 -4.073 519 HG SER 585 HG SER 585 2.486 -12.627 -7.400 520 HB2 SER 585 1HB SER 585 0.410 -12.231 -6.429 521 HB3 SER 585 2HB SER 585 1.540 -10.891 -6.239 522 H LYS 586 H LYS 586 2.018 -14.286 -3.474 523 HA LYS 586 HA LYS 586 -0.512 -15.694 -3.786 524 HB2 LYS 586 1HB LYS 586 2.139 -16.530 -2.576 525 HB3 LYS 586 2HB LYS 586 0.741 -17.592 -2.807 526 HG2 LYS 586 1HG LYS 586 0.762 -17.028 -5.267 527 HG3 LYS 586 2HG LYS 586 2.296 -16.173 -5.024 528 HD2 LYS 586 1HD LYS 586 1.781 -19.074 -4.304 529 HD3 LYS 586 2HD LYS 586 2.510 -18.559 -5.833 530 HE2 LYS 586 1HE LYS 586 4.431 -17.616 -4.720 531 HE3 LYS 586 2HE LYS 586 3.684 -17.789 -3.125 532 HZ1 LYS 586 3HZ LYS 586 5.260 -19.509 -3.438 533 HZ2 LYS 586 1HZ LYS 586 3.773 -20.180 -3.415 534 HZ3 LYS 586 2HZ LYS 586 4.581 -19.994 -4.861 535 H GLU 587 H GLU 587 1.003 -14.038 -1.000 536 HA GLU 587 HA GLU 587 -0.166 -15.663 1.013 537 HB2 GLU 587 1HB GLU 587 1.528 -13.454 1.003 538 HB3 GLU 587 2HB GLU 587 0.042 -12.742 1.584 539 HG2 GLU 587 1HG GLU 587 0.976 -13.387 3.577 540 HG3 GLU 587 2HG GLU 587 0.045 -14.815 3.262 541 HA PRO 588 HA PRO 588 -4.495 -14.440 0.607 542 HB2 PRO 588 1HB PRO 588 -4.818 -14.323 3.557 543 HB3 PRO 588 2HB PRO 588 -5.678 -15.344 2.378 544 HG2 PRO 588 1HG PRO 588 -3.798 -16.375 4.090 545 HG3 PRO 588 2HG PRO 588 -4.019 -16.963 2.420 546 HD2 PRO 588 1HD PRO 588 -1.996 -15.002 3.459 547 HD3 PRO 588 2HD PRO 588 -1.697 -16.396 2.385 548 H VAL 589 H VAL 589 -5.113 -12.348 0.155 549 HA VAL 589 HA VAL 589 -3.957 -10.035 1.118 550 HB VAL 589 HB VAL 589 -6.952 -10.357 0.581 551 HG11 VAL 589 1HG1 VAL 589 -6.314 -8.151 1.535 552 HG12 VAL 589 2HG1 VAL 589 -5.119 -7.934 0.239 553 HG13 VAL 589 3HG1 VAL 589 -6.855 -8.011 -0.130 554 HG21 VAL 589 3HG2 VAL 589 -6.439 -9.714 -1.771 555 HG22 VAL 589 1HG2 VAL 589 -4.711 -9.839 -1.394 556 HG23 VAL 589 2HG2 VAL 589 -5.772 -11.278 -1.334 557 H ALA 590 H ALA 590 -6.633 -11.845 2.656 558 HA ALA 590 HA ALA 590 -7.124 -10.066 4.791 559 HB1 ALA 590 1HB ALA 590 -7.416 -13.105 4.717 560 HB2 ALA 590 2HB ALA 590 -8.154 -12.011 5.905 561 HB3 ALA 590 3HB ALA 590 -8.637 -11.914 4.210 562 H SER 591 H SER 591 -4.806 -12.869 4.659 563 HA SER 591 HA SER 591 -4.054 -12.560 7.407 564 HG SER 591 HG SER 591 -3.076 -15.223 7.573 565 HB2 SER 591 1HB SER 591 -3.826 -14.607 5.778 566 HB3 SER 591 2HB SER 591 -2.269 -13.862 5.353 567 H ILE 592 H ILE 592 -2.505 -11.454 4.267 568 HA ILE 592 HA ILE 592 -0.299 -10.343 5.513 569 HB ILE 592 HB ILE 592 -1.297 -10.791 2.904 570 HG12 ILE 592 1HG1 ILE 592 0.940 -11.199 3.815 571 HG13 ILE 592 2HG1 ILE 592 0.979 -10.410 2.242 572 HG21 ILE 592 1HG2 ILE 592 -2.254 -8.677 2.511 573 HG22 ILE 592 2HG2 ILE 592 -0.868 -7.818 3.188 574 HG23 ILE 592 3HG2 ILE 592 -0.665 -8.709 1.682 575 HD11 ILE 592 3HD1 ILE 592 1.193 -8.906 4.871 576 HD12 ILE 592 1HD1 ILE 592 2.602 -9.537 4.009 577 HD13 ILE 592 2HD1 ILE 592 1.567 -8.293 3.255 578 H ILE 593 H ILE 593 -3.528 -8.930 4.894 579 HA ILE 593 HA ILE 593 -2.905 -6.302 5.809 580 HB ILE 593 HB ILE 593 -5.423 -7.892 5.333 581 HG12 ILE 593 1HG1 ILE 593 -4.224 -5.278 4.264 582 HG13 ILE 593 2HG1 ILE 593 -4.129 -6.848 3.473 583 HG21 ILE 593 1HG2 ILE 593 -5.996 -6.662 7.353 584 HG22 ILE 593 2HG2 ILE 593 -5.335 -5.169 6.661 585 HG23 ILE 593 3HG2 ILE 593 -6.779 -5.929 5.956 586 HD11 ILE 593 3HD1 ILE 593 -6.679 -6.827 3.361 587 HD12 ILE 593 1HD1 ILE 593 -6.584 -5.114 3.844 588 HD13 ILE 593 2HD1 ILE 593 -5.822 -5.645 2.340 589 H THR 594 H THR 594 -4.328 -9.121 7.567 590 HA THR 594 HA THR 594 -4.344 -8.223 10.106 591 HB THR 594 HB THR 594 -3.126 -10.926 9.509 592 HG1 THR 594 1HG THR 594 -4.941 -10.635 8.205 593 HG21 THR 594 3HG2 THR 594 -5.004 -9.933 11.698 594 HG22 THR 594 1HG2 THR 594 -4.420 -11.601 11.482 595 HG23 THR 594 2HG2 THR 594 -3.280 -10.316 11.898 596 H LYS 595 H LYS 595 -1.202 -8.917 8.394 597 HA LYS 595 HA LYS 595 0.447 -8.635 10.654 598 HB2 LYS 595 1HB LYS 595 1.187 -7.580 7.923 599 HB3 LYS 595 2HB LYS 595 2.189 -8.367 9.112 600 HG2 LYS 595 1HG LYS 595 0.070 -9.774 7.505 601 HG3 LYS 595 2HG LYS 595 1.702 -9.561 6.936 602 HD2 LYS 595 1HD LYS 595 0.831 -11.745 7.900 603 HD3 LYS 595 2HD LYS 595 2.484 -11.274 8.134 604 HE2 LYS 595 1HE LYS 595 0.328 -10.726 10.235 605 HE3 LYS 595 2HE LYS 595 1.068 -12.306 10.089 606 HZ1 LYS 595 3HZ LYS 595 3.249 -11.290 10.511 607 HZ2 LYS 595 1HZ LYS 595 2.545 -9.838 10.791 608 HZ3 LYS 595 2HZ LYS 595 2.199 -11.109 11.737 609 H LEU 596 H LEU 596 -0.732 -6.113 8.230 610 HA LEU 596 HA LEU 596 0.435 -3.930 9.633 611 HG LEU 596 HG LEU 596 -0.545 -3.015 6.182 612 HB2 LEU 596 1HB LEU 596 -1.983 -4.100 7.781 613 HB3 LEU 596 2HB LEU 596 -1.218 -2.629 8.328 614 HD11 LEU 596 1HD1 LEU 596 1.259 -2.292 7.826 615 HD12 LEU 596 2HD1 LEU 596 1.900 -3.938 7.737 616 HD13 LEU 596 3HD1 LEU 596 1.855 -2.922 6.281 617 HD21 LEU 596 3HD2 LEU 596 0.616 -5.735 6.701 618 HD22 LEU 596 1HD2 LEU 596 -0.934 -5.378 5.890 619 HD23 LEU 596 2HD2 LEU 596 0.587 -4.816 5.192 620 H ASN 597 H ASN 597 -2.837 -5.376 9.804 621 HA ASN 597 HA ASN 597 -4.111 -3.690 11.588 622 HB2 ASN 597 1HB ASN 597 -4.264 -6.705 11.903 623 HB3 ASN 597 2HB ASN 597 -5.430 -5.487 12.406 624 HD21 ASN 597 1HD2 ASN 597 -6.812 -7.180 11.044 625 HD22 ASN 597 2HD2 ASN 597 -6.916 -6.772 9.343 626 H SER 598 H SER 598 -1.573 -6.063 12.380 627 HA SER 598 HA SER 598 -1.881 -5.907 15.234 628 HG SER 598 HG SER 598 0.734 -6.494 12.715 629 HB2 SER 598 1HB SER 598 0.013 -7.253 15.343 630 HB3 SER 598 2HB SER 598 -0.769 -7.737 13.840 631 H LEU 599 H LEU 599 0.120 -4.288 12.917 632 HA LEU 599 HA LEU 599 1.779 -2.760 14.687 633 HG LEU 599 HG LEU 599 1.715 -4.345 11.745 634 HB2 LEU 599 1HB LEU 599 1.111 -1.979 11.832 635 HB3 LEU 599 2HB LEU 599 2.563 -1.600 12.746 636 HD11 LEU 599 1HD1 LEU 599 2.461 -2.803 9.982 637 HD12 LEU 599 2HD1 LEU 599 3.997 -2.553 10.841 638 HD13 LEU 599 3HD1 LEU 599 3.587 -4.152 10.183 639 HD21 LEU 599 3HD2 LEU 599 4.270 -3.569 13.185 640 HD22 LEU 599 1HD2 LEU 599 3.003 -4.676 13.781 641 HD23 LEU 599 2HD2 LEU 599 3.957 -5.115 12.353 642 H ASN 600 H ASN 600 -1.238 -2.092 12.972 643 HA ASN 600 HA ASN 600 -2.881 -0.606 13.266 644 HB2 ASN 600 1HB ASN 600 -2.622 -1.436 15.643 645 HB3 ASN 600 2HB ASN 600 -1.741 0.057 15.986 646 HD21 ASN 600 1HD2 ASN 600 -3.520 0.447 17.554 647 HD22 ASN 600 2HD2 ASN 600 -5.107 0.911 17.005 648 H GLU 601 H GLU 601 -0.544 0.184 11.875 649 HA GLU 601 HA GLU 601 0.033 2.954 12.604 650 HB2 GLU 601 1HB GLU 601 1.290 0.873 10.793 651 HB3 GLU 601 2HB GLU 601 1.712 2.571 10.600 652 HG2 GLU 601 1HG GLU 601 1.951 1.060 13.238 653 HG3 GLU 601 2HG GLU 601 3.251 1.297 12.084 654 HA PRO 602 HA PRO 602 -2.480 4.485 9.226 655 HB2 PRO 602 1HB PRO 602 -1.417 6.997 8.839 656 HB3 PRO 602 2HB PRO 602 -2.405 6.485 10.218 657 HG2 PRO 602 1HG PRO 602 0.614 6.682 10.018 658 HG3 PRO 602 2HG PRO 602 -0.429 7.251 11.362 659 HD2 PRO 602 1HD PRO 602 0.962 4.872 11.352 660 HD3 PRO 602 2HD PRO 602 -0.570 5.101 12.241 661 H LEU 603 H LEU 603 -2.114 3.244 7.520 662 HA LEU 603 HA LEU 603 0.470 3.219 6.122 663 HG LEU 603 HG LEU 603 -1.838 1.049 7.262 664 HB2 LEU 603 1HB LEU 603 -2.110 2.066 4.973 665 HB3 LEU 603 2HB LEU 603 -0.459 1.595 4.604 666 HD11 LEU 603 1HD1 LEU 603 -1.288 -0.822 4.911 667 HD12 LEU 603 2HD1 LEU 603 -2.068 -1.237 6.457 668 HD13 LEU 603 3HD1 LEU 603 -2.871 -0.142 5.333 669 HD21 LEU 603 3HD2 LEU 603 0.617 1.166 7.459 670 HD22 LEU 603 1HD2 LEU 603 0.054 -0.498 7.595 671 HD23 LEU 603 2HD2 LEU 603 0.803 0.046 6.081 672 H VAL 604 H VAL 604 0.660 3.496 3.756 673 HA VAL 604 HA VAL 604 -1.372 5.103 2.399 674 HB VAL 604 HB VAL 604 -0.005 6.874 3.174 675 HG11 VAL 604 1HG1 VAL 604 2.505 5.379 2.354 676 HG12 VAL 604 2HG1 VAL 604 2.426 7.052 2.960 677 HG13 VAL 604 3HG1 VAL 604 1.960 5.706 4.007 678 HG21 VAL 604 3HG2 VAL 604 1.013 6.264 0.370 679 HG22 VAL 604 1HG2 VAL 604 -0.527 7.053 0.779 680 HG23 VAL 604 2HG2 VAL 604 1.021 7.837 1.191 681 H THR 605 H THR 605 -1.936 3.487 0.976 682 HA THR 605 HA THR 605 0.025 2.745 -0.954 683 HB THR 605 HB THR 605 0.573 1.080 0.899 684 HG1 THR 605 1HG THR 605 1.070 0.670 -1.193 685 HG21 THR 605 3HG2 THR 605 -2.245 0.083 0.311 686 HG22 THR 605 1HG2 THR 605 -1.020 -0.867 1.095 687 HG23 THR 605 2HG2 THR 605 -1.569 0.621 1.865 688 H MET 606 H MET 606 -1.011 1.426 -2.706 689 HA MET 606 HA MET 606 -3.649 2.311 -3.300 690 HB2 MET 606 1HB MET 606 -2.283 0.225 -4.924 691 HB3 MET 606 2HB MET 606 -3.218 1.670 -5.367 692 HG2 MET 606 1HG MET 606 -1.221 3.035 -4.640 693 HG3 MET 606 2HG MET 606 -0.331 1.537 -4.656 694 HE1 MET 606 3HE MET 606 -2.055 0.088 -7.283 695 HE2 MET 606 1HE MET 606 -0.770 0.441 -8.451 696 HE3 MET 606 2HE MET 606 -0.346 -0.082 -6.812 697 HA PRO 607 HA PRO 607 -5.891 -1.253 -2.057 698 HB2 PRO 607 1HB PRO 607 -7.202 -2.339 -4.212 699 HB3 PRO 607 2HB PRO 607 -7.650 -0.816 -3.393 700 HG2 PRO 607 1HG PRO 607 -6.158 -1.234 -5.967 701 HG3 PRO 607 2HG PRO 607 -7.330 0.031 -5.557 702 HD2 PRO 607 1HD PRO 607 -4.602 0.233 -5.571 703 HD3 PRO 607 2HD PRO 607 -5.582 1.361 -4.570 704 H ILE 608 H ILE 608 -4.553 -2.691 -1.235 705 HA ILE 608 HA ILE 608 -2.606 -4.200 -2.563 706 HB ILE 608 HB ILE 608 -3.932 -4.114 0.176 707 HG12 ILE 608 1HG1 ILE 608 -2.407 -2.292 -0.469 708 HG13 ILE 608 2HG1 ILE 608 -1.885 -3.159 0.954 709 HG21 ILE 608 1HG2 ILE 608 -2.262 -5.601 1.187 710 HG22 ILE 608 2HG2 ILE 608 -3.408 -6.419 0.125 711 HG23 ILE 608 3HG2 ILE 608 -1.746 -6.089 -0.435 712 HD11 ILE 608 3HD1 ILE 608 -0.007 -2.564 -0.520 713 HD12 ILE 608 1HD1 ILE 608 -0.152 -4.300 -0.250 714 HD13 ILE 608 2HD1 ILE 608 -0.677 -3.588 -1.799 715 H GLY 609 H GLY 609 -5.909 -5.143 -1.842 716 HA2 GLY 609 1HA GLY 609 -5.375 -7.739 -3.188 717 HA3 GLY 609 2HA GLY 609 -6.760 -7.409 -2.146 718 H TYR 610 H TYR 610 -5.252 -6.498 -5.167 719 HA TYR 610 HA TYR 610 -7.883 -5.875 -6.470 720 HD1 TYR 610 1HD TYR 610 -9.140 -4.672 -7.644 721 HD2 TYR 610 2HD TYR 610 -5.602 -2.174 -8.124 722 HE1 TYR 610 1HE TYR 610 -10.208 -3.486 -9.408 723 HE2 TYR 610 2HE TYR 610 -6.706 -1.030 -10.017 724 HH TYR 610 HH TYR 610 -9.513 -2.285 -11.516 725 HB2 TYR 610 1HB TYR 610 -6.831 -3.765 -5.689 726 HB3 TYR 610 2HB TYR 610 -5.448 -4.098 -6.721 727 H VAL 611 H VAL 611 -6.506 -5.246 -8.933 728 HA VAL 611 HA VAL 611 -6.075 -7.241 -10.509 729 HB VAL 611 HB VAL 611 -4.044 -6.008 -11.504 730 HG11 VAL 611 1HG1 VAL 611 -6.446 -5.597 -12.147 731 HG12 VAL 611 2HG1 VAL 611 -6.553 -4.347 -10.897 732 HG13 VAL 611 3HG1 VAL 611 -5.455 -4.143 -12.274 733 HG21 VAL 611 3HG2 VAL 611 -4.565 -4.034 -9.256 734 HG22 VAL 611 1HG2 VAL 611 -3.050 -4.896 -9.623 735 HG23 VAL 611 2HG2 VAL 611 -3.662 -3.693 -10.735 736 H THR 612 H THR 612 -3.374 -6.402 -8.298 737 HA THR 612 HA THR 612 -1.518 -8.345 -8.989 738 HB THR 612 HB THR 612 -0.843 -7.972 -6.510 739 HG1 THR 612 1HG THR 612 -2.059 -5.911 -5.811 740 HG21 THR 612 3HG2 THR 612 -0.087 -5.684 -6.975 741 HG22 THR 612 1HG2 THR 612 0.063 -6.689 -8.427 742 HG23 THR 612 2HG2 THR 612 -1.264 -5.521 -8.296 743 H HIS 613 H HIS 613 -4.221 -8.537 -6.745 744 HA HIS 613 HA HIS 613 -3.786 -11.373 -6.147 745 HD1 HIS 613 1HD HIS 613 -2.529 -9.040 -3.876 746 HD2 HIS 613 2HD HIS 613 -4.686 -12.611 -3.089 747 HE1 HIS 613 1HE HIS 613 -1.128 -10.484 -2.219 748 HE2 HIS 613 2HE HIS 613 -2.452 -12.590 -1.767 749 HB2 HIS 613 1HB HIS 613 -5.216 -9.194 -4.758 750 HB3 HIS 613 2HB HIS 613 -5.892 -10.807 -4.610 751 H GLY 614 H GLY 614 -5.184 -9.865 -8.713 752 HA2 GLY 614 1HA GLY 614 -6.825 -10.474 -10.188 753 HA3 GLY 614 2HA GLY 614 -7.049 -11.986 -9.298 754 H PHE 615 H PHE 615 -7.398 -8.862 -7.677 755 HA PHE 615 HA PHE 615 -10.165 -9.699 -6.935 756 HD1 PHE 615 2HD PHE 615 -8.509 -11.126 -5.521 757 HD2 PHE 615 1HD PHE 615 -9.658 -7.755 -3.110 758 HE1 PHE 615 2HE PHE 615 -8.452 -12.547 -3.497 759 HE2 PHE 615 1HE PHE 615 -9.572 -9.130 -1.097 760 HZ PHE 615 HZ PHE 615 -8.966 -11.579 -1.265 761 HB2 PHE 615 1HB PHE 615 -8.015 -8.046 -5.715 762 HB3 PHE 615 2HB PHE 615 -9.661 -7.536 -5.416 763 H ASN 616 H ASN 616 -11.705 -8.054 -6.800 764 HA ASN 616 HA ASN 616 -11.675 -6.181 -9.107 765 HB2 ASN 616 1HB ASN 616 -13.912 -6.793 -7.083 766 HB3 ASN 616 2HB ASN 616 -14.090 -5.898 -8.590 767 HD21 ASN 616 1HD2 ASN 616 -15.431 -8.470 -7.604 768 HD22 ASN 616 2HD2 ASN 616 -15.088 -9.543 -8.939 769 H LEU 617 H LEU 617 -12.866 -4.053 -8.633 770 HA LEU 617 HA LEU 617 -11.320 -2.613 -6.658 771 HG LEU 617 HG LEU 617 -13.022 -0.040 -6.571 772 HB2 LEU 617 1HB LEU 617 -12.152 -1.766 -8.927 773 HB3 LEU 617 2HB LEU 617 -13.773 -1.715 -8.235 774 HD11 LEU 617 1HD1 LEU 617 -10.635 -0.612 -6.284 775 HD12 LEU 617 2HD1 LEU 617 -10.320 -0.294 -8.008 776 HD13 LEU 617 3HD1 LEU 617 -10.743 1.033 -6.906 777 HD21 LEU 617 3HD2 LEU 617 -13.857 0.645 -8.822 778 HD22 LEU 617 1HD2 LEU 617 -12.695 1.802 -8.165 779 HD23 LEU 617 2HD2 LEU 617 -12.173 0.628 -9.418 780 H GLU 618 H GLU 618 -14.723 -3.716 -6.999 781 HA GLU 618 HA GLU 618 -15.662 -2.881 -4.468 782 HB2 GLU 618 1HB GLU 618 -17.080 -3.542 -6.291 783 HB3 GLU 618 2HB GLU 618 -16.440 -5.176 -6.324 784 HG2 GLU 618 1HG GLU 618 -17.813 -4.073 -3.827 785 HG3 GLU 618 2HG GLU 618 -18.773 -4.611 -5.200 786 H GLU 619 H GLU 619 -13.864 -5.788 -5.384 787 HA GLU 619 HA GLU 619 -14.140 -7.086 -2.823 788 HB2 GLU 619 1HB GLU 619 -12.287 -7.494 -5.142 789 HB3 GLU 619 2HB GLU 619 -12.012 -8.299 -3.604 790 HG2 GLU 619 1HG GLU 619 -14.834 -8.528 -4.355 791 HG3 GLU 619 2HG GLU 619 -13.792 -9.064 -5.638 792 H ALA 620 H ALA 620 -11.383 -5.287 -4.340 793 HA ALA 620 HA ALA 620 -9.804 -5.166 -2.225 794 HB1 ALA 620 1HB ALA 620 -9.912 -2.812 -4.096 795 HB2 ALA 620 2HB ALA 620 -8.522 -3.641 -3.305 796 HB3 ALA 620 3HB ALA 620 -9.358 -4.412 -4.633 797 H ALA 621 H ALA 621 -12.588 -3.033 -2.744 798 HA ALA 621 HA ALA 621 -12.049 -1.154 -0.658 799 HB1 ALA 621 1HB ALA 621 -14.529 -0.815 -0.788 800 HB2 ALA 621 2HB ALA 621 -13.781 -0.873 -2.403 801 HB3 ALA 621 3HB ALA 621 -14.659 -2.281 -1.796 802 H ARG 622 H ARG 622 -13.826 -4.333 -0.634 803 HA ARG 622 HA ARG 622 -14.241 -4.219 2.209 804 HE ARG 622 HE ARG 622 -15.820 -9.982 0.509 805 HB2 ARG 622 1HB ARG 622 -15.439 -6.126 1.933 806 HB3 ARG 622 2HB ARG 622 -15.291 -5.626 0.243 807 HG2 ARG 622 1HG ARG 622 -13.228 -7.258 0.186 808 HG3 ARG 622 2HG ARG 622 -13.949 -7.925 1.607 809 HD2 ARG 622 1HD ARG 622 -15.591 -7.521 -0.931 810 HD3 ARG 622 2HD ARG 622 -14.451 -8.839 -0.787 811 HH11 ARG 622 2HH2 ARG 622 -17.231 -6.749 0.249 812 HH12 ARG 622 1HH2 ARG 622 -18.526 -7.025 1.311 813 HH21 ARG 622 2HH1 ARG 622 -17.564 -10.454 1.839 814 HH22 ARG 622 1HH1 ARG 622 -18.846 -9.277 2.005 815 H CYS 623 H CYS 623 -11.738 -5.386 0.122 816 HA CYS 623 HA CYS 623 -10.516 -7.204 1.889 817 HG CYS 623 HG CYS 623 -8.139 -5.592 -1.621 818 HB2 CYS 623 1HB CYS 623 -8.932 -7.471 0.193 819 HB3 CYS 623 2HB CYS 623 -10.083 -6.603 -0.669 820 H MET 624 H MET 624 -10.038 -3.758 1.251 821 HA MET 624 HA MET 624 -8.194 -3.161 3.328 822 HB2 MET 624 1HB MET 624 -10.086 -1.549 1.576 823 HB3 MET 624 2HB MET 624 -9.182 -0.785 2.879 824 HG2 MET 624 1HG MET 624 -7.173 -2.214 1.696 825 HG3 MET 624 2HG MET 624 -8.219 -1.900 0.303 826 HE1 MET 624 3HE MET 624 -5.084 -0.345 1.992 827 HE2 MET 624 1HE MET 624 -5.307 -0.908 0.307 828 HE3 MET 624 2HE MET 624 -5.111 0.839 0.651 829 H ARG 625 H ARG 625 -11.812 -3.311 3.395 830 HA ARG 625 HA ARG 625 -12.051 -2.216 6.034 831 HE ARG 625 HE ARG 625 -15.706 -2.225 6.600 832 HB2 ARG 625 1HB ARG 625 -13.700 -4.345 4.593 833 HB3 ARG 625 2HB ARG 625 -14.076 -3.655 6.155 834 HG2 ARG 625 1HG ARG 625 -14.131 -1.386 5.080 835 HG3 ARG 625 2HG ARG 625 -13.985 -2.187 3.503 836 HD2 ARG 625 1HD ARG 625 -16.311 -1.831 3.822 837 HD3 ARG 625 2HD ARG 625 -16.075 -3.551 4.173 838 HH11 ARG 625 2HH2 ARG 625 -18.441 -2.373 4.292 839 HH12 ARG 625 1HH2 ARG 625 -19.537 -1.671 5.432 840 HH21 ARG 625 2HH1 ARG 625 -17.095 -1.426 8.001 841 HH22 ARG 625 1HH1 ARG 625 -18.785 -1.163 7.648 842 H SER 626 H SER 626 -10.652 -5.265 4.933 843 HA SER 626 HA SER 626 -10.917 -6.541 7.511 844 HG SER 626 HG SER 626 -8.999 -8.301 7.492 845 HB2 SER 626 1HB SER 626 -10.465 -7.619 5.173 846 HB3 SER 626 2HB SER 626 -8.771 -7.174 5.462 847 H LEU 627 H LEU 627 -9.063 -3.834 6.538 848 HA LEU 627 HA LEU 627 -6.932 -4.318 8.499 849 HG LEU 627 HG LEU 627 -6.187 -1.293 8.831 850 HB2 LEU 627 1HB LEU 627 -6.503 -3.027 6.348 851 HB3 LEU 627 2HB LEU 627 -7.689 -1.845 6.924 852 HD11 LEU 627 1HD1 LEU 627 -4.314 -3.219 7.456 853 HD12 LEU 627 2HD1 LEU 627 -3.665 -1.796 8.286 854 HD13 LEU 627 3HD1 LEU 627 -4.619 -2.941 9.190 855 HD21 LEU 627 3HD2 LEU 627 -4.626 0.062 7.463 856 HD22 LEU 627 1HD2 LEU 627 -5.145 -0.822 6.019 857 HD23 LEU 627 2HD2 LEU 627 -6.293 0.175 6.975 858 H LYS 628 H LYS 628 -6.830 -3.125 10.401 859 HA LYS 628 HA LYS 628 -9.394 -1.904 11.280 860 HB2 LYS 628 1HB LYS 628 -7.198 -3.039 13.023 861 HB3 LYS 628 2HB LYS 628 -8.738 -2.389 13.555 862 HG2 LYS 628 1HG LYS 628 -8.229 -4.954 11.974 863 HG3 LYS 628 2HG LYS 628 -8.807 -4.772 13.624 864 HD2 LYS 628 1HD LYS 628 -10.813 -3.495 12.526 865 HD3 LYS 628 2HD LYS 628 -10.325 -4.333 11.037 866 HE2 LYS 628 1HE LYS 628 -10.645 -6.486 12.016 867 HE3 LYS 628 2HE LYS 628 -10.720 -5.817 13.652 868 HZ1 LYS 628 3HZ LYS 628 -12.807 -4.841 13.179 869 HZ2 LYS 628 1HZ LYS 628 -12.755 -5.318 11.585 870 HZ3 LYS 628 2HZ LYS 628 -12.875 -6.449 12.759 871 H ALA 629 H ALA 629 -5.888 -1.514 11.416 872 HA ALA 629 HA ALA 629 -5.527 0.981 12.244 873 HB1 ALA 629 1HB ALA 629 -3.887 -0.867 11.307 874 HB2 ALA 629 2HB ALA 629 -4.065 0.011 9.774 875 HB3 ALA 629 3HB ALA 629 -3.411 0.831 11.192 876 HA PRO 630 HA PRO 630 -6.859 3.885 9.027 877 HB2 PRO 630 1HB PRO 630 -4.587 5.628 9.227 878 HB3 PRO 630 2HB PRO 630 -6.192 5.808 10.000 879 HG2 PRO 630 1HG PRO 630 -3.759 5.271 11.347 880 HG3 PRO 630 2HG PRO 630 -5.405 5.180 12.019 881 HD2 PRO 630 1HD PRO 630 -3.638 3.011 11.055 882 HD3 PRO 630 2HD PRO 630 -4.916 2.992 12.307 883 H ALA 631 H ALA 631 -6.246 4.617 6.781 884 HA ALA 631 HA ALA 631 -3.770 3.641 5.626 885 HB1 ALA 631 1HB ALA 631 -4.850 1.556 5.540 886 HB2 ALA 631 2HB ALA 631 -6.451 2.284 5.207 887 HB3 ALA 631 3HB ALA 631 -5.201 2.247 3.954 888 H VAL 632 H VAL 632 -3.694 4.241 3.309 889 HA VAL 632 HA VAL 632 -5.521 6.451 2.595 890 HB VAL 632 HB VAL 632 -2.543 6.685 3.024 891 HG11 VAL 632 1HG1 VAL 632 -4.416 8.690 1.722 892 HG12 VAL 632 2HG1 VAL 632 -2.760 8.976 2.264 893 HG13 VAL 632 3HG1 VAL 632 -3.042 7.849 0.948 894 HG21 VAL 632 3HG2 VAL 632 -3.243 8.621 4.448 895 HG22 VAL 632 1HG2 VAL 632 -4.938 8.183 4.186 896 HG23 VAL 632 2HG2 VAL 632 -3.842 7.080 5.058 897 H VAL 633 H VAL 633 -6.333 5.861 0.662 898 HA VAL 633 HA VAL 633 -4.687 4.012 -0.924 899 HB VAL 633 HB VAL 633 -5.941 2.900 0.356 900 HG11 VAL 633 1HG1 VAL 633 -8.606 3.797 -0.177 901 HG12 VAL 633 2HG1 VAL 633 -7.981 2.608 0.946 902 HG13 VAL 633 3HG1 VAL 633 -7.528 4.255 1.201 903 HG21 VAL 633 3HG2 VAL 633 -5.757 2.027 -1.957 904 HG22 VAL 633 1HG2 VAL 633 -7.210 1.407 -1.204 905 HG23 VAL 633 2HG2 VAL 633 -7.324 2.724 -2.349 906 H SER 634 H SER 634 -4.063 4.713 -2.844 907 HA SER 634 HA SER 634 -5.371 6.844 -4.180 908 HG SER 634 HG SER 634 -3.486 4.209 -5.251 909 HB2 SER 634 1HB SER 634 -3.367 6.519 -5.647 910 HB3 SER 634 2HB SER 634 -2.950 6.636 -3.925 911 H VAL 635 H VAL 635 -6.660 6.770 -6.010 912 HA VAL 635 HA VAL 635 -6.561 4.390 -7.798 913 HB VAL 635 HB VAL 635 -8.917 5.476 -8.472 914 HG11 VAL 635 1HG1 VAL 635 -9.984 3.645 -7.082 915 HG12 VAL 635 2HG1 VAL 635 -8.650 3.173 -8.127 916 HG13 VAL 635 3HG1 VAL 635 -8.364 3.354 -6.395 917 HG21 VAL 635 3HG2 VAL 635 -8.876 6.011 -5.451 918 HG22 VAL 635 1HG2 VAL 635 -8.983 7.199 -6.748 919 HG23 VAL 635 2HG2 VAL 635 -10.291 6.035 -6.517 920 H SER 636 H SER 636 -7.256 4.965 -10.046 921 HA SER 636 HA SER 636 -5.405 6.652 -11.146 922 HG SER 636 HG SER 636 -6.841 5.969 -14.265 923 HB2 SER 636 1HB SER 636 -6.741 4.645 -12.106 924 HB3 SER 636 2HB SER 636 -7.974 5.829 -12.537 925 H SER 637 H SER 637 -8.789 7.474 -10.245 926 HA SER 637 HA SER 637 -8.232 10.286 -10.890 927 HG SER 637 HG SER 637 -10.695 8.566 -13.269 928 HB2 SER 637 1HB SER 637 -10.923 10.048 -11.398 929 HB3 SER 637 2HB SER 637 -9.628 10.240 -12.588 930 HA PRO 638 HA PRO 638 -10.100 10.987 -6.851 931 HB2 PRO 638 1HB PRO 638 -11.379 13.409 -8.024 932 HB3 PRO 638 2HB PRO 638 -10.316 13.245 -6.596 933 HG2 PRO 638 1HG PRO 638 -9.378 14.328 -8.917 934 HG3 PRO 638 2HG PRO 638 -8.365 13.243 -7.910 935 HD2 PRO 638 1HD PRO 638 -10.019 12.529 -10.336 936 HD3 PRO 638 2HD PRO 638 -8.304 12.135 -9.977 937 H ASP 639 H ASP 639 -11.958 10.980 -9.812 938 HA ASP 639 HA ASP 639 -14.580 10.966 -8.715 939 HB2 ASP 639 1HB ASP 639 -13.319 10.071 -11.316 940 HB3 ASP 639 2HB ASP 639 -15.029 9.791 -10.974 941 H ALA 640 H ALA 640 -12.186 8.432 -9.297 942 HA ALA 640 HA ALA 640 -14.006 6.196 -9.072 943 HB1 ALA 640 1HB ALA 640 -11.905 4.891 -9.103 944 HB2 ALA 640 2HB ALA 640 -11.859 6.178 -10.337 945 HB3 ALA 640 3HB ALA 640 -10.968 6.382 -8.829 946 H VAL 641 H VAL 641 -12.237 8.186 -6.836 947 HA VAL 641 HA VAL 641 -11.955 6.530 -4.577 948 HB VAL 641 HB VAL 641 -12.606 9.495 -4.766 949 HG11 VAL 641 1HG1 VAL 641 -11.094 7.922 -2.649 950 HG12 VAL 641 2HG1 VAL 641 -11.233 9.690 -2.666 951 HG13 VAL 641 3HG1 VAL 641 -12.683 8.714 -2.444 952 HG21 VAL 641 3HG2 VAL 641 -10.171 9.924 -4.759 953 HG22 VAL 641 1HG2 VAL 641 -9.857 8.183 -4.731 954 HG23 VAL 641 2HG2 VAL 641 -10.591 8.934 -6.155 955 H THR 642 H THR 642 -14.651 8.593 -5.675 956 HA THR 642 HA THR 642 -16.481 8.169 -3.559 957 HB THR 642 HB THR 642 -16.734 8.795 -6.510 958 HG1 THR 642 1HG THR 642 -15.844 10.159 -4.471 959 HG21 THR 642 3HG2 THR 642 -18.852 9.207 -4.388 960 HG22 THR 642 1HG2 THR 642 -18.931 9.793 -6.061 961 HG23 THR 642 2HG2 THR 642 -18.957 8.046 -5.737 962 H THR 643 H THR 643 -16.110 6.301 -6.674 963 HA THR 643 HA THR 643 -18.175 4.415 -6.129 964 HB THR 643 HB THR 643 -15.680 4.410 -7.870 965 HG1 THR 643 1HG THR 643 -17.744 5.585 -8.392 966 HG21 THR 643 3HG2 THR 643 -17.679 2.151 -7.611 967 HG22 THR 643 1HG2 THR 643 -16.568 2.368 -8.985 968 HG23 THR 643 2HG2 THR 643 -15.918 2.089 -7.372 969 H TYR 644 H TYR 644 -14.658 4.306 -5.283 970 HA TYR 644 HA TYR 644 -14.736 1.678 -4.239 971 HD1 TYR 644 2HD TYR 644 -11.912 0.812 -4.832 972 HD2 TYR 644 1HD TYR 644 -12.295 3.173 -1.254 973 HE1 TYR 644 2HE TYR 644 -10.335 -0.721 -3.642 974 HE2 TYR 644 1HE TYR 644 -10.652 1.682 -0.091 975 HH TYR 644 HH TYR 644 -9.180 -0.115 -0.357 976 HB2 TYR 644 1HB TYR 644 -12.739 3.049 -4.931 977 HB3 TYR 644 2HB TYR 644 -12.940 4.041 -3.514 978 H ASN 645 H ASN 645 -14.986 4.849 -2.546 979 HA ASN 645 HA ASN 645 -15.340 3.783 0.081 980 HB2 ASN 645 1HB ASN 645 -16.403 6.384 -1.077 981 HB3 ASN 645 2HB ASN 645 -16.296 5.961 0.627 982 HD21 ASN 645 1HD2 ASN 645 -15.028 8.089 -1.016 983 HD22 ASN 645 2HD2 ASN 645 -13.296 7.849 -0.887 984 H GLY 646 H GLY 646 -17.440 4.510 -2.585 985 HA2 GLY 646 1HA GLY 646 -20.072 4.072 -1.818 986 HA3 GLY 646 2HA GLY 646 -19.361 3.505 -3.328 987 H TYR 647 H TYR 647 -18.059 1.413 -3.141 988 HA TYR 647 HA TYR 647 -19.601 -0.761 -2.303 989 HD1 TYR 647 2HD TYR 647 -19.635 -1.739 -4.392 990 HD2 TYR 647 1HD TYR 647 -15.566 -0.311 -4.542 991 HE1 TYR 647 2HE TYR 647 -19.830 -1.477 -6.831 992 HE2 TYR 647 1HE TYR 647 -15.719 -0.121 -6.989 993 HH TYR 647 HH TYR 647 -18.836 -0.277 -8.609 994 HB2 TYR 647 1HB TYR 647 -16.569 -0.663 -2.472 995 HB3 TYR 647 2HB TYR 647 -17.531 -2.112 -2.503 996 H LEU 648 H LEU 648 -17.105 0.921 -0.568 997 HA LEU 648 HA LEU 648 -16.756 -0.663 1.716 998 HG LEU 648 HG LEU 648 -14.667 -0.102 1.500 999 HB2 LEU 648 1HB LEU 648 -16.101 1.965 0.691 1000 HB3 LEU 648 2HB LEU 648 -16.510 2.116 2.385 1001 HD11 LEU 648 1HD1 LEU 648 -12.676 1.231 1.538 1002 HD12 LEU 648 2HD1 LEU 648 -13.757 1.738 0.237 1003 HD13 LEU 648 3HD1 LEU 648 -13.637 2.736 1.708 1004 HD21 LEU 648 3HD2 LEU 648 -14.544 1.819 3.862 1005 HD22 LEU 648 1HD2 LEU 648 -15.401 0.281 3.902 1006 HD23 LEU 648 2HD2 LEU 648 -13.637 0.310 3.659 1007 H THR 649 H THR 649 -19.585 1.201 0.940 1008 HA THR 649 HA THR 649 -20.780 0.219 3.457 1009 HB THR 649 HB THR 649 -20.034 2.503 3.887 1010 HG1 THR 649 1HG THR 649 -21.991 1.882 4.905 1011 HG21 THR 649 3HG2 THR 649 -20.230 3.357 1.526 1012 HG22 THR 649 1HG2 THR 649 -21.986 3.426 1.755 1013 HG23 THR 649 2HG2 THR 649 -20.906 4.429 2.749 1014 H SER 650 H SER 650 -20.835 -0.779 0.733 1015 HA SER 650 HA SER 650 -22.207 -1.667 -0.784 1016 HG SER 650 HG SER 650 -23.243 -2.650 1.845 1017 HB2 SER 650 1HB SER 650 -24.447 -0.918 1.121 1018 HB3 SER 650 2HB SER 650 -24.688 -1.732 -0.411 1019 H SER 651 H SER 651 -21.660 -0.486 -2.466 1020 HA SER 651 HA SER 651 -22.710 2.131 -3.150 1021 HG SER 651 HG SER 651 -21.665 2.792 -5.257 1022 HB2 SER 651 1HB SER 651 -20.617 0.417 -4.084 1023 HB3 SER 651 2HB SER 651 -21.777 0.496 -5.409 Start of MODEL 13 1 H1 GLY -4 H GLY -4 -0.970 19.833 8.345 2 HA2 GLY -4 1HA GLY -4 -3.806 19.859 9.172 3 HA3 GLY -4 2HA GLY -4 -3.214 19.550 7.532 4 H SER -3 H SER -3 -4.852 17.703 8.172 5 HA SER -3 HA SER -3 -3.288 15.276 8.511 6 HG SER -3 HG SER -3 -3.045 16.313 10.712 7 HB2 SER -3 1HB SER -3 -5.584 16.000 10.386 8 HB3 SER -3 2HB SER -3 -4.952 14.367 10.197 9 H HIS -2 H HIS -2 -4.222 13.707 7.211 10 HA HIS -2 HA HIS -2 -6.937 13.614 6.722 11 HD1 HIS -2 1HD HIS -2 -6.250 15.359 2.150 12 HD2 HIS -2 2HD HIS -2 -3.476 14.861 5.296 13 HE1 HIS -2 1HE HIS -2 -4.067 16.493 1.408 14 HE2 HIS -2 2HE HIS -2 -2.342 16.049 3.260 15 HB2 HIS -2 1HB HIS -2 -6.876 13.619 4.188 16 HB3 HIS -2 2HB HIS -2 -7.052 15.119 5.062 17 H MET -1 H MET -1 -7.572 11.503 6.011 18 HA MET -1 HA MET -1 -5.564 9.627 5.122 19 HB2 MET -1 1HB MET -1 -5.748 9.767 7.744 20 HB3 MET -1 2HB MET -1 -7.334 9.027 7.512 21 HG2 MET -1 1HG MET -1 -5.940 7.276 6.075 22 HG3 MET -1 2HG MET -1 -4.564 7.956 6.927 23 HE1 MET -1 3HE MET -1 -7.998 5.409 8.675 24 HE2 MET -1 1HE MET -1 -8.302 6.928 7.806 25 HE3 MET -1 2HE MET -1 -7.565 5.562 6.954 26 H GLY 527 H GLY 527 -6.869 7.453 4.583 27 HA2 GLY 527 1HA GLY 527 -8.931 6.415 3.957 28 HA3 GLY 527 2HA GLY 527 -9.674 8.002 3.765 29 H THR 528 H THR 528 -10.263 7.126 1.543 30 HA THR 528 HA THR 528 -8.213 6.433 -0.300 31 HB THR 528 HB THR 528 -10.990 7.374 -1.052 32 HG1 THR 528 1HG THR 528 -11.820 5.874 -0.046 33 HG21 THR 528 3HG2 THR 528 -10.851 5.662 -2.777 34 HG22 THR 528 1HG2 THR 528 -9.455 6.733 -2.920 35 HG23 THR 528 2HG2 THR 528 -9.266 5.129 -2.188 36 H VAL 529 H VAL 529 -7.270 7.622 -1.979 37 HA VAL 529 HA VAL 529 -7.966 10.395 -2.544 38 HB VAL 529 HB VAL 529 -5.623 11.135 -2.374 39 HG11 VAL 529 1HG1 VAL 529 -5.410 11.408 0.001 40 HG12 VAL 529 2HG1 VAL 529 -7.112 11.522 -0.449 41 HG13 VAL 529 3HG1 VAL 529 -6.488 10.039 0.324 42 HG21 VAL 529 3HG2 VAL 529 -5.089 8.432 -1.099 43 HG22 VAL 529 1HG2 VAL 529 -4.418 9.024 -2.642 44 HG23 VAL 529 2HG2 VAL 529 -3.966 9.757 -1.097 45 H SER 530 H SER 530 -6.120 10.981 -4.429 46 HA SER 530 HA SER 530 -5.647 8.615 -6.169 47 HG SER 530 HG SER 530 -8.006 11.227 -5.970 48 HB2 SER 530 1HB SER 530 -6.433 10.133 -8.092 49 HB3 SER 530 2HB SER 530 -7.648 9.336 -7.083 50 H TRP 531 H TRP 531 -3.550 8.924 -5.137 51 HA TRP 531 HA TRP 531 -1.963 11.217 -6.252 52 HD1 TRP 531 HD TRP 531 -3.307 12.498 -4.453 53 HE1 TRP 531 1HE TRP 531 -4.041 13.326 -2.123 54 HE3 TRP 531 3HE TRP 531 -0.410 9.448 -1.596 55 HZ2 TRP 531 2HZ TRP 531 -3.389 12.753 0.628 56 HZ3 TRP 531 3HZ TRP 531 -0.469 9.610 0.879 57 HH2 TRP 531 HH TRP 531 -1.970 11.256 1.997 58 HB2 TRP 531 1HB TRP 531 -1.285 9.306 -4.000 59 HB3 TRP 531 2HB TRP 531 -0.363 10.686 -4.507 60 H ASN 532 H ASN 532 0.171 10.559 -7.360 61 HA ASN 532 HA ASN 532 0.025 7.998 -8.642 62 HB2 ASN 532 1HB ASN 532 0.363 10.308 -9.687 63 HB3 ASN 532 2HB ASN 532 1.812 10.462 -8.702 64 HD21 ASN 532 1HD2 ASN 532 3.676 9.744 -9.527 65 HD22 ASN 532 2HD2 ASN 532 3.702 8.500 -10.743 66 H LEU 533 H LEU 533 2.202 6.938 -8.691 67 HA LEU 533 HA LEU 533 3.162 6.015 -6.285 68 HG LEU 533 HG LEU 533 4.970 3.698 -8.448 69 HB2 LEU 533 1HB LEU 533 3.896 5.749 -9.065 70 HB3 LEU 533 2HB LEU 533 5.376 6.092 -8.214 71 HD11 LEU 533 1HD1 LEU 533 6.285 4.464 -6.543 72 HD12 LEU 533 2HD1 LEU 533 4.828 4.593 -5.540 73 HD13 LEU 533 3HD1 LEU 533 5.370 3.010 -6.132 74 HD21 LEU 533 3HD2 LEU 533 3.140 2.554 -7.348 75 HD22 LEU 533 1HD2 LEU 533 2.531 4.075 -6.662 76 HD23 LEU 533 2HD2 LEU 533 2.498 3.805 -8.409 77 H ARG 534 H ARG 534 4.552 8.695 -8.111 78 HA ARG 534 HA ARG 534 6.670 9.177 -6.285 79 HE ARG 534 HE ARG 534 4.087 12.362 -10.907 80 HB2 ARG 534 1HB ARG 534 6.716 11.517 -7.175 81 HB3 ARG 534 2HB ARG 534 7.132 10.132 -8.242 82 HG2 ARG 534 1HG ARG 534 5.263 10.341 -9.480 83 HG3 ARG 534 2HG ARG 534 4.381 11.032 -8.106 84 HD2 ARG 534 1HD ARG 534 5.722 13.173 -8.540 85 HD3 ARG 534 2HD ARG 534 6.302 12.423 -10.031 86 HH11 ARG 534 2HH2 ARG 534 4.667 14.817 -8.428 87 HH12 ARG 534 1HH2 ARG 534 3.093 15.493 -8.555 88 HH21 ARG 534 2HH1 ARG 534 1.757 13.157 -10.818 89 HH22 ARG 534 1HH1 ARG 534 1.524 14.593 -9.889 90 H GLU 535 H GLU 535 3.503 10.644 -6.416 91 HA GLU 535 HA GLU 535 3.711 12.496 -4.336 92 HB2 GLU 535 1HB GLU 535 1.371 11.065 -5.577 93 HB3 GLU 535 2HB GLU 535 1.291 12.502 -4.558 94 HG2 GLU 535 1HG GLU 535 2.659 13.699 -6.303 95 HG3 GLU 535 2HG GLU 535 2.515 12.252 -7.326 96 H MET 536 H MET 536 2.541 9.100 -4.445 97 HA MET 536 HA MET 536 1.715 8.841 -1.742 98 HB2 MET 536 1HB MET 536 2.689 6.897 -3.882 99 HB3 MET 536 2HB MET 536 2.241 6.362 -2.267 100 HG2 MET 536 1HG MET 536 -0.001 7.403 -2.542 101 HG3 MET 536 2HG MET 536 0.484 7.996 -4.130 102 HE1 MET 536 3HE MET 536 -0.672 3.696 -3.050 103 HE2 MET 536 1HE MET 536 0.655 4.522 -2.209 104 HE3 MET 536 2HE MET 536 -1.008 5.140 -2.067 105 H LEU 537 H LEU 537 4.779 7.952 -3.320 106 HA LEU 537 HA LEU 537 6.228 7.142 -1.004 107 HG LEU 537 HG LEU 537 6.091 5.818 -3.601 108 HB2 LEU 537 1HB LEU 537 6.929 8.200 -3.746 109 HB3 LEU 537 2HB LEU 537 8.194 7.779 -2.595 110 HD11 LEU 537 1HD1 LEU 537 7.533 6.585 -5.437 111 HD12 LEU 537 2HD1 LEU 537 8.985 6.277 -4.442 112 HD13 LEU 537 3HD1 LEU 537 7.964 4.923 -4.988 113 HD21 LEU 537 3HD2 LEU 537 8.735 5.295 -2.177 114 HD22 LEU 537 1HD2 LEU 537 7.155 5.207 -1.404 115 HD23 LEU 537 2HD2 LEU 537 7.548 4.077 -2.707 116 H ALA 538 H ALA 538 5.907 10.381 -2.533 117 HA ALA 538 HA ALA 538 7.621 11.792 -0.758 118 HB1 ALA 538 1HB ALA 538 6.820 12.739 -2.874 119 HB2 ALA 538 2HB ALA 538 5.143 12.719 -2.281 120 HB3 ALA 538 3HB ALA 538 6.331 13.777 -1.522 121 H HIS 539 H HIS 539 4.069 11.123 -0.538 122 HA HIS 539 HA HIS 539 3.748 12.538 1.904 123 HD1 HIS 539 1HD HIS 539 1.490 13.595 2.716 124 HD2 HIS 539 2HD HIS 539 0.676 9.439 3.064 125 HE1 HIS 539 1HE HIS 539 -0.044 13.355 4.699 126 HE2 HIS 539 2HE HIS 539 -0.626 10.888 4.957 127 HB2 HIS 539 1HB HIS 539 1.863 11.714 0.473 128 HB3 HIS 539 2HB HIS 539 2.163 10.077 1.051 129 H ALA 540 H ALA 540 4.551 9.083 1.362 130 HA ALA 540 HA ALA 540 4.726 8.342 4.122 131 HB1 ALA 540 1HB ALA 540 6.283 7.199 1.758 132 HB2 ALA 540 2HB ALA 540 6.009 6.423 3.333 133 HB3 ALA 540 3HB ALA 540 4.645 6.708 2.247 134 H GLU 541 H GLU 541 7.229 9.701 1.904 135 HA GLU 541 HA GLU 541 9.417 9.692 3.663 136 HB2 GLU 541 1HB GLU 541 8.544 11.214 1.227 137 HB3 GLU 541 2HB GLU 541 9.597 12.125 2.280 138 HG2 GLU 541 1HG GLU 541 11.212 10.177 2.221 139 HG3 GLU 541 2HG GLU 541 10.166 9.455 0.984 140 H GLU 542 H GLU 542 6.981 12.327 3.136 141 HA GLU 542 HA GLU 542 7.997 14.049 5.107 142 HB2 GLU 542 1HB GLU 542 6.462 14.627 3.211 143 HB3 GLU 542 2HB GLU 542 5.130 13.849 4.077 144 HG2 GLU 542 1HG GLU 542 5.453 15.444 5.968 145 HG3 GLU 542 2HG GLU 542 6.777 16.209 5.094 146 H THR 543 H THR 543 5.257 11.766 5.315 147 HA THR 543 HA THR 543 4.708 12.473 8.071 148 HB THR 543 HB THR 543 2.964 10.747 7.951 149 HG1 THR 543 1HG THR 543 3.801 10.498 5.241 150 HG21 THR 543 3HG2 THR 543 1.524 11.941 6.464 151 HG22 THR 543 1HG2 THR 543 2.564 13.095 7.297 152 HG23 THR 543 2HG2 THR 543 2.906 12.682 5.611 153 H ARG 544 H ARG 544 6.953 10.342 6.712 154 HA ARG 544 HA ARG 544 8.227 8.651 7.405 155 HE ARG 544 HE ARG 544 9.818 12.511 10.781 156 HB2 ARG 544 1HB ARG 544 7.472 9.557 10.205 157 HB3 ARG 544 2HB ARG 544 8.476 8.160 9.888 158 HG2 ARG 544 1HG ARG 544 9.899 9.900 10.407 159 HG3 ARG 544 2HG ARG 544 10.146 9.525 8.720 160 HD2 ARG 544 1HD ARG 544 9.352 11.607 8.017 161 HD3 ARG 544 2HD ARG 544 8.217 11.738 9.371 162 HH11 ARG 544 2HH2 ARG 544 11.464 11.652 7.695 163 HH12 ARG 544 1HH2 ARG 544 12.999 12.166 8.270 164 HH21 ARG 544 2HH1 ARG 544 11.965 12.932 11.491 165 HH22 ARG 544 1HH1 ARG 544 13.269 12.975 10.338 166 H LYS 545 H LYS 545 5.096 8.456 7.109 167 HA LYS 545 HA LYS 545 4.412 6.153 8.697 168 HB2 LYS 545 1HB LYS 545 3.074 7.409 6.263 169 HB3 LYS 545 2HB LYS 545 2.432 5.972 7.075 170 HG2 LYS 545 1HG LYS 545 2.271 7.163 9.197 171 HG3 LYS 545 2HG LYS 545 3.028 8.589 8.510 172 HD2 LYS 545 1HD LYS 545 1.134 8.930 6.986 173 HD3 LYS 545 2HD LYS 545 0.334 7.472 7.619 174 HE2 LYS 545 1HE LYS 545 0.537 8.514 9.949 175 HE3 LYS 545 2HE LYS 545 1.162 9.970 9.179 176 HZ1 LYS 545 3HZ LYS 545 -1.576 8.864 8.979 177 HZ2 LYS 545 1HZ LYS 545 -1.118 10.290 9.576 178 HZ3 LYS 545 2HZ LYS 545 -1.031 10.053 7.960 179 H LEU 546 H LEU 546 3.929 4.049 7.954 180 HA LEU 546 HA LEU 546 5.993 2.877 6.313 181 HG LEU 546 HG LEU 546 3.997 0.152 6.104 182 HB2 LEU 546 1HB LEU 546 5.215 1.823 8.337 183 HB3 LEU 546 2HB LEU 546 3.545 1.879 7.802 184 HD11 LEU 546 1HD1 LEU 546 6.483 -0.951 6.830 185 HD12 LEU 546 2HD1 LEU 546 6.120 -0.053 5.348 186 HD13 LEU 546 3HD1 LEU 546 6.800 0.756 6.769 187 HD21 LEU 546 3HD2 LEU 546 3.332 -0.492 8.420 188 HD22 LEU 546 1HD2 LEU 546 4.334 -1.720 7.627 189 HD23 LEU 546 2HD2 LEU 546 5.048 -0.637 8.842 190 H MET 547 H MET 547 5.660 1.704 4.392 191 HA MET 547 HA MET 547 3.044 1.956 2.995 192 HB2 MET 547 1HB MET 547 4.554 3.642 2.102 193 HB3 MET 547 2HB MET 547 5.802 2.451 1.837 194 HG2 MET 547 1HG MET 547 4.326 1.247 0.223 195 HG3 MET 547 2HG MET 547 3.084 2.455 0.460 196 HE1 MET 547 3HE MET 547 4.418 5.596 -1.287 197 HE2 MET 547 1HE MET 547 3.083 4.808 -0.413 198 HE3 MET 547 2HE MET 547 4.581 5.249 0.446 199 HA PRO 548 HA PRO 548 4.269 -2.415 2.449 200 HB2 PRO 548 1HB PRO 548 1.849 -3.455 1.683 201 HB3 PRO 548 2HB PRO 548 2.255 -3.054 3.373 202 HG2 PRO 548 1HG PRO 548 0.722 -1.362 1.425 203 HG3 PRO 548 2HG PRO 548 0.319 -1.790 3.134 204 HD2 PRO 548 1HD PRO 548 1.534 0.579 2.440 205 HD3 PRO 548 2HD PRO 548 1.882 -0.261 3.974 206 H ILE 549 H ILE 549 4.837 -3.615 0.548 207 HA ILE 549 HA ILE 549 4.077 -2.494 -2.102 208 HB ILE 549 HB ILE 549 6.975 -2.911 -1.200 209 HG12 ILE 549 1HG1 ILE 549 6.957 -0.372 -2.044 210 HG13 ILE 549 2HG1 ILE 549 5.253 -0.469 -1.627 211 HG21 ILE 549 1HG2 ILE 549 6.702 -3.620 -3.536 212 HG22 ILE 549 2HG2 ILE 549 5.820 -2.125 -3.911 213 HG23 ILE 549 3HG2 ILE 549 7.543 -2.078 -3.470 214 HD11 ILE 549 3HD1 ILE 549 6.287 0.267 0.291 215 HD12 ILE 549 1HD1 ILE 549 6.275 -1.465 0.661 216 HD13 ILE 549 2HD1 ILE 549 7.741 -0.738 0.053 217 H CYS 550 H CYS 550 3.430 -4.062 -3.446 218 HA CYS 550 HA CYS 550 3.804 -6.841 -2.751 219 HG CYS 550 HG CYS 550 2.071 -8.304 -3.592 220 HB2 CYS 550 1HB CYS 550 1.881 -5.803 -4.173 221 HB3 CYS 550 2HB CYS 550 3.052 -5.767 -5.499 222 H MET 551 H MET 551 5.621 -8.024 -3.134 223 HA MET 551 HA MET 551 7.909 -7.202 -4.606 224 HB2 MET 551 1HB MET 551 6.804 -9.913 -3.801 225 HB3 MET 551 2HB MET 551 8.333 -9.761 -4.643 226 HG2 MET 551 1HG MET 551 7.990 -8.086 -2.198 227 HG3 MET 551 2HG MET 551 8.004 -9.835 -1.966 228 HE1 MET 551 3HE MET 551 11.482 -9.572 -0.848 229 HE2 MET 551 1HE MET 551 10.371 -8.224 -0.524 230 HE3 MET 551 2HE MET 551 9.758 -9.874 -0.537 231 H ASP 552 H ASP 552 4.908 -8.813 -5.644 232 HA ASP 552 HA ASP 552 5.895 -9.897 -8.106 233 HB2 ASP 552 1HB ASP 552 3.817 -10.661 -7.004 234 HB3 ASP 552 2HB ASP 552 3.060 -9.103 -7.334 235 H VAL 553 H VAL 553 4.710 -6.658 -7.220 236 HA VAL 553 HA VAL 553 4.230 -5.979 -10.018 237 HB VAL 553 HB VAL 553 3.903 -4.279 -7.524 238 HG11 VAL 553 1HG1 VAL 553 4.209 -2.910 -9.611 239 HG12 VAL 553 2HG1 VAL 553 2.906 -3.826 -10.388 240 HG13 VAL 553 3HG1 VAL 553 2.555 -2.816 -8.995 241 HG21 VAL 553 3HG2 VAL 553 2.324 -6.225 -7.614 242 HG22 VAL 553 1HG2 VAL 553 1.474 -4.704 -7.912 243 HG23 VAL 553 2HG2 VAL 553 1.870 -5.779 -9.264 244 H ARG 554 H ARG 554 6.297 -6.523 -10.629 245 HA ARG 554 HA ARG 554 8.650 -5.426 -9.766 246 HE ARG 554 HE ARG 554 8.327 -7.130 -15.823 247 HB2 ARG 554 1HB ARG 554 9.674 -6.029 -11.848 248 HB3 ARG 554 2HB ARG 554 8.619 -7.272 -11.192 249 HG2 ARG 554 1HG ARG 554 7.534 -7.401 -13.121 250 HG3 ARG 554 2HG ARG 554 6.938 -5.775 -12.934 251 HD2 ARG 554 1HD ARG 554 8.058 -5.176 -14.741 252 HD3 ARG 554 2HD ARG 554 9.562 -5.352 -13.859 253 HH11 ARG 554 2HH2 ARG 554 10.494 -7.903 -13.301 254 HH12 ARG 554 1HH2 ARG 554 11.824 -8.344 -14.285 255 HH21 ARG 554 2HH1 ARG 554 10.057 -7.745 -17.250 256 HH22 ARG 554 1HH1 ARG 554 11.674 -7.992 -16.653 257 H ALA 555 H ALA 555 6.331 -3.853 -11.918 258 HA ALA 555 HA ALA 555 8.066 -1.771 -12.822 259 HB1 ALA 555 1HB ALA 555 5.035 -1.824 -12.485 260 HB2 ALA 555 2HB ALA 555 5.935 -0.647 -13.464 261 HB3 ALA 555 3HB ALA 555 5.919 -2.369 -13.920 262 H ILE 556 H ILE 556 6.500 -2.254 -9.734 263 HA ILE 556 HA ILE 556 6.914 0.564 -8.904 264 HB ILE 556 HB ILE 556 5.661 -1.879 -7.585 265 HG12 ILE 556 1HG1 ILE 556 4.614 0.879 -8.407 266 HG13 ILE 556 2HG1 ILE 556 4.356 -0.615 -9.299 267 HG21 ILE 556 1HG2 ILE 556 5.213 -0.537 -5.607 268 HG22 ILE 556 2HG2 ILE 556 6.941 -0.662 -5.838 269 HG23 ILE 556 3HG2 ILE 556 6.118 0.844 -6.293 270 HD11 ILE 556 3HD1 ILE 556 3.234 0.139 -6.615 271 HD12 ILE 556 1HD1 ILE 556 2.381 -0.253 -8.106 272 HD13 ILE 556 2HD1 ILE 556 3.212 -1.538 -7.199 273 H MET 557 H MET 557 8.000 -2.784 -8.197 274 HA MET 557 HA MET 557 9.974 -2.282 -6.325 275 HB2 MET 557 1HB MET 557 9.950 -4.281 -8.626 276 HB3 MET 557 2HB MET 557 11.157 -4.311 -7.372 277 HG2 MET 557 1HG MET 557 8.365 -4.261 -6.337 278 HG3 MET 557 2HG MET 557 8.773 -5.677 -7.294 279 HE1 MET 557 3HE MET 557 11.117 -4.412 -3.500 280 HE2 MET 557 1HE MET 557 11.358 -3.575 -5.042 281 HE3 MET 557 2HE MET 557 9.789 -3.469 -4.217 282 H ALA 558 H ALA 558 10.475 -2.254 -9.908 283 HA ALA 558 HA ALA 558 13.186 -1.454 -9.818 284 HB1 ALA 558 1HB ALA 558 12.819 -0.701 -12.138 285 HB2 ALA 558 2HB ALA 558 12.148 -2.324 -11.853 286 HB3 ALA 558 3HB ALA 558 11.068 -0.911 -11.939 287 H THR 559 H THR 559 10.206 0.564 -10.033 288 HA THR 559 HA THR 559 11.469 3.082 -10.257 289 HB THR 559 HB THR 559 8.781 1.948 -9.589 290 HG1 THR 559 1HG THR 559 9.487 2.522 -11.669 291 HG21 THR 559 3HG2 THR 559 7.754 4.137 -9.107 292 HG22 THR 559 1HG2 THR 559 8.773 3.554 -7.787 293 HG23 THR 559 2HG2 THR 559 9.367 4.838 -8.870 294 H ILE 560 H ILE 560 10.669 1.190 -7.353 295 HA ILE 560 HA ILE 560 11.647 3.294 -5.569 296 HB ILE 560 HB ILE 560 10.936 0.345 -5.121 297 HG12 ILE 560 1HG1 ILE 560 9.430 2.952 -4.525 298 HG13 ILE 560 2HG1 ILE 560 9.003 1.784 -5.769 299 HG21 ILE 560 1HG2 ILE 560 12.609 1.345 -3.433 300 HG22 ILE 560 2HG2 ILE 560 11.366 2.557 -3.014 301 HG23 ILE 560 3HG2 ILE 560 11.079 0.838 -2.796 302 HD11 ILE 560 3HD1 ILE 560 8.772 0.052 -3.882 303 HD12 ILE 560 1HD1 ILE 560 8.824 1.437 -2.772 304 HD13 ILE 560 2HD1 ILE 560 7.539 1.340 -3.989 305 H GLN 561 H GLN 561 13.015 0.093 -6.736 306 HA GLN 561 HA GLN 561 15.489 0.295 -5.385 307 HB2 GLN 561 1HB GLN 561 14.610 -1.121 -7.930 308 HB3 GLN 561 2HB GLN 561 16.296 -1.139 -7.410 309 HG2 GLN 561 1HG GLN 561 15.641 -2.043 -5.221 310 HG3 GLN 561 2HG GLN 561 13.955 -2.105 -5.757 311 HE21 GLN 561 1HE2 GLN 561 13.384 -4.157 -6.292 312 HE22 GLN 561 2HE2 GLN 561 14.384 -5.312 -7.160 313 H ARG 562 H ARG 562 14.441 1.939 -8.284 314 HA ARG 562 HA ARG 562 16.928 2.920 -9.219 315 HE ARG 562 HE ARG 562 15.877 5.060 -12.418 316 HB2 ARG 562 1HB ARG 562 15.298 3.239 -10.736 317 HB3 ARG 562 2HB ARG 562 14.023 3.410 -9.542 318 HG2 ARG 562 1HG ARG 562 14.434 5.625 -9.135 319 HG3 ARG 562 2HG ARG 562 15.975 5.662 -10.040 320 HD2 ARG 562 1HD ARG 562 13.462 4.738 -11.422 321 HD3 ARG 562 2HD ARG 562 13.642 6.475 -11.084 322 HH11 ARG 562 2HH2 ARG 562 13.197 7.459 -12.728 323 HH12 ARG 562 1HH2 ARG 562 13.878 8.121 -14.177 324 HH21 ARG 562 2HH1 ARG 562 16.594 5.924 -14.376 325 HH22 ARG 562 1HH1 ARG 562 15.809 7.291 -15.096 326 H LYS 563 H LYS 563 14.535 4.441 -7.007 327 HA LYS 563 HA LYS 563 16.397 6.590 -6.350 328 HB2 LYS 563 1HB LYS 563 13.889 6.832 -6.482 329 HB3 LYS 563 2HB LYS 563 13.732 5.790 -5.081 330 HG2 LYS 563 1HG LYS 563 15.050 7.319 -3.709 331 HG3 LYS 563 2HG LYS 563 15.344 8.378 -5.107 332 HD2 LYS 563 1HD LYS 563 13.083 9.148 -5.129 333 HD3 LYS 563 2HD LYS 563 12.533 7.737 -4.227 334 HE2 LYS 563 1HE LYS 563 12.490 9.201 -2.494 335 HE3 LYS 563 2HE LYS 563 14.157 8.666 -2.329 336 HZ1 LYS 563 3HZ LYS 563 13.276 11.119 -3.726 337 HZ2 LYS 563 1HZ LYS 563 13.822 11.054 -2.204 338 HZ3 LYS 563 2HZ LYS 563 14.860 10.660 -3.410 339 H TYR 564 H TYR 564 14.935 3.922 -4.487 340 HA TYR 564 HA TYR 564 16.774 4.351 -2.239 341 HD1 TYR 564 1HD TYR 564 12.940 4.251 -3.513 342 HD2 TYR 564 2HD TYR 564 14.727 4.629 0.387 343 HE1 TYR 564 1HE TYR 564 11.360 6.071 -2.996 344 HE2 TYR 564 2HE TYR 564 13.148 6.455 0.932 345 HH TYR 564 HH TYR 564 10.957 7.937 -1.472 346 HB2 TYR 564 1HB TYR 564 14.382 2.475 -2.528 347 HB3 TYR 564 2HB TYR 564 15.299 2.779 -1.068 348 H LYS 565 H LYS 565 18.612 3.672 -3.653 349 HA LYS 565 HA LYS 565 18.549 0.854 -4.512 350 HB2 LYS 565 1HB LYS 565 19.241 2.607 -6.112 351 HB3 LYS 565 2HB LYS 565 20.411 3.231 -4.959 352 HG2 LYS 565 1HG LYS 565 21.541 2.012 -6.646 353 HG3 LYS 565 2HG LYS 565 21.764 1.227 -5.128 354 HD2 LYS 565 1HD LYS 565 19.931 -0.450 -5.854 355 HD3 LYS 565 2HD LYS 565 19.951 0.367 -7.429 356 HE2 LYS 565 1HE LYS 565 22.582 -0.027 -7.241 357 HE3 LYS 565 2HE LYS 565 22.127 -1.245 -6.044 358 HZ1 LYS 565 3HZ LYS 565 20.749 -2.263 -7.817 359 HZ2 LYS 565 1HZ LYS 565 21.368 -1.150 -8.889 360 HZ3 LYS 565 2HZ LYS 565 22.347 -2.255 -8.125 361 H GLY 566 H GLY 566 20.021 2.800 -1.899 362 HA2 GLY 566 1HA GLY 566 22.235 1.061 -1.604 363 HA3 GLY 566 2HA GLY 566 21.628 2.171 -0.365 364 H ILE 567 H ILE 567 18.895 0.754 -0.780 365 HA ILE 567 HA ILE 567 19.126 -1.233 1.331 366 HB ILE 567 HB ILE 567 17.342 0.327 1.362 367 HG12 ILE 567 1HG1 ILE 567 16.812 -2.174 1.891 368 HG13 ILE 567 2HG1 ILE 567 15.657 -0.877 1.968 369 HG21 ILE 567 1HG2 ILE 567 15.481 0.355 -0.465 370 HG22 ILE 567 2HG2 ILE 567 17.026 1.129 -0.864 371 HG23 ILE 567 3HG2 ILE 567 16.625 -0.480 -1.484 372 HD11 ILE 567 3HD1 ILE 567 14.896 -3.041 0.740 373 HD12 ILE 567 1HD1 ILE 567 14.537 -1.480 0.000 374 HD13 ILE 567 2HD1 ILE 567 15.891 -2.411 -0.621 375 H LYS 568 H LYS 568 17.845 -3.295 1.010 376 HA LYS 568 HA LYS 568 18.071 -4.455 -1.665 377 HB2 LYS 568 1HB LYS 568 19.154 -6.001 0.714 378 HB3 LYS 568 2HB LYS 568 19.268 -6.351 -1.010 379 HG2 LYS 568 1HG LYS 568 21.385 -5.581 -0.775 380 HG3 LYS 568 2HG LYS 568 20.653 -4.023 -1.005 381 HD2 LYS 568 1HD LYS 568 20.469 -3.851 1.573 382 HD3 LYS 568 2HD LYS 568 21.403 -5.363 1.632 383 HE2 LYS 568 1HE LYS 568 23.117 -4.182 0.146 384 HE3 LYS 568 2HE LYS 568 22.229 -2.687 0.452 385 HZ1 LYS 568 3HZ LYS 568 24.172 -3.090 1.931 386 HZ2 LYS 568 1HZ LYS 568 22.796 -2.796 2.718 387 HZ3 LYS 568 2HZ LYS 568 23.383 -4.353 2.615 388 H ILE 569 H ILE 569 16.360 -5.945 -1.941 389 HA ILE 569 HA ILE 569 14.041 -5.364 -0.293 390 HB ILE 569 HB ILE 569 14.382 -7.386 -2.552 391 HG12 ILE 569 1HG1 ILE 569 15.273 -5.521 -3.643 392 HG13 ILE 569 2HG1 ILE 569 13.585 -5.547 -4.097 393 HG21 ILE 569 1HG2 ILE 569 12.030 -6.969 -3.046 394 HG22 ILE 569 2HG2 ILE 569 12.208 -7.369 -1.348 395 HG23 ILE 569 3HG2 ILE 569 11.951 -5.690 -1.825 396 HD11 ILE 569 3HD1 ILE 569 13.109 -3.764 -2.431 397 HD12 ILE 569 1HD1 ILE 569 14.822 -3.692 -2.021 398 HD13 ILE 569 2HD1 ILE 569 14.294 -3.267 -3.643 399 H GLN 570 H GLN 570 12.855 -6.919 0.862 400 HA GLN 570 HA GLN 570 13.865 -9.551 1.565 401 HB2 GLN 570 1HB GLN 570 14.105 -8.996 3.944 402 HB3 GLN 570 2HB GLN 570 15.186 -7.991 2.988 403 HG2 GLN 570 1HG GLN 570 12.962 -6.355 3.190 404 HG3 GLN 570 2HG GLN 570 12.925 -7.207 4.720 405 HE21 GLN 570 1HE2 GLN 570 15.124 -5.228 2.573 406 HE22 GLN 570 2HE2 GLN 570 16.015 -4.567 3.888 407 H GLU 571 H GLU 571 11.988 -10.806 2.467 408 HA GLU 571 HA GLU 571 9.477 -9.688 1.643 409 HB2 GLU 571 1HB GLU 571 10.660 -12.324 2.262 410 HB3 GLU 571 2HB GLU 571 9.031 -12.158 2.858 411 HG2 GLU 571 1HG GLU 571 8.294 -11.434 0.553 412 HG3 GLU 571 2HG GLU 571 9.934 -11.868 0.003 413 H GLY 572 H GLY 572 9.816 -7.874 3.317 414 HA2 GLY 572 1HA GLY 572 8.260 -8.139 5.685 415 HA3 GLY 572 2HA GLY 572 9.960 -8.483 6.059 416 H ILE 573 H ILE 573 9.895 -6.594 7.409 417 HA ILE 573 HA ILE 573 9.388 -3.960 6.292 418 HB ILE 573 HB ILE 573 10.572 -4.950 8.911 419 HG12 ILE 573 1HG1 ILE 573 8.120 -5.250 8.632 420 HG13 ILE 573 2HG1 ILE 573 8.580 -4.220 9.969 421 HG21 ILE 573 1HG2 ILE 573 10.357 -2.590 9.810 422 HG22 ILE 573 2HG2 ILE 573 11.670 -2.840 8.665 423 HG23 ILE 573 3HG2 ILE 573 10.178 -2.033 8.137 424 HD11 ILE 573 3HD1 ILE 573 7.662 -3.081 7.306 425 HD12 ILE 573 1HD1 ILE 573 6.583 -3.399 8.670 426 HD13 ILE 573 2HD1 ILE 573 7.887 -2.212 8.834 427 H VAL 574 H VAL 574 10.720 -2.397 5.899 428 HA VAL 574 HA VAL 574 13.616 -2.827 5.802 429 HB VAL 574 HB VAL 574 13.530 -3.071 3.670 430 HG11 VAL 574 1HG1 VAL 574 11.595 -2.435 2.148 431 HG12 VAL 574 2HG1 VAL 574 11.806 -3.968 3.018 432 HG13 VAL 574 3HG1 VAL 574 10.700 -2.696 3.636 433 HG21 VAL 574 3HG2 VAL 574 14.361 -0.833 3.687 434 HG22 VAL 574 1HG2 VAL 574 13.525 -1.226 2.167 435 HG23 VAL 574 2HG2 VAL 574 12.728 -0.203 3.376 436 H ASP 575 H ASP 575 14.193 -1.445 7.177 437 HA ASP 575 HA ASP 575 13.058 1.353 7.292 438 HB2 ASP 575 1HB ASP 575 13.342 0.483 9.499 439 HB3 ASP 575 2HB ASP 575 14.980 -0.084 9.148 440 H TYR 576 H TYR 576 13.787 2.072 5.245 441 HA TYR 576 HA TYR 576 16.469 3.165 5.443 442 HD1 TYR 576 2HD TYR 576 19.109 2.824 4.239 443 HD2 TYR 576 1HD TYR 576 16.140 2.449 1.128 444 HE1 TYR 576 2HE TYR 576 20.671 3.859 2.615 445 HE2 TYR 576 1HE TYR 576 17.713 3.428 -0.491 446 HH TYR 576 HH TYR 576 20.665 4.991 0.304 447 HB2 TYR 576 1HB TYR 576 17.150 1.131 4.329 448 HB3 TYR 576 2HB TYR 576 15.851 1.270 3.165 449 H GLY 577 H GLY 577 15.658 5.206 5.379 450 HA2 GLY 577 1HA GLY 577 15.304 7.157 4.201 451 HA3 GLY 577 2HA GLY 577 14.947 6.230 2.742 452 H VAL 578 H VAL 578 12.829 4.666 3.404 453 HA VAL 578 HA VAL 578 10.767 6.157 4.873 454 HB VAL 578 HB VAL 578 10.554 5.144 2.019 455 HG11 VAL 578 1HG1 VAL 578 8.218 5.641 3.907 456 HG12 VAL 578 2HG1 VAL 578 8.120 5.384 2.150 457 HG13 VAL 578 3HG1 VAL 578 8.675 4.078 3.185 458 HG21 VAL 578 3HG2 VAL 578 9.197 7.425 2.058 459 HG22 VAL 578 1HG2 VAL 578 10.095 7.709 3.538 460 HG23 VAL 578 2HG2 VAL 578 10.976 7.437 2.023 461 H ARG 579 H ARG 579 9.532 4.613 5.965 462 HA ARG 579 HA ARG 579 10.627 1.943 6.442 463 HE ARG 579 HE ARG 579 9.120 2.757 11.915 464 HB2 ARG 579 1HB ARG 579 8.252 3.575 7.414 465 HB3 ARG 579 2HB ARG 579 8.361 1.839 7.781 466 HG2 ARG 579 1HG ARG 579 10.385 2.051 8.951 467 HG3 ARG 579 2HG ARG 579 10.621 3.728 8.425 468 HD2 ARG 579 1HD ARG 579 9.066 4.598 9.915 469 HD3 ARG 579 2HD ARG 579 8.133 3.100 9.974 470 HH11 ARG 579 2HH2 ARG 579 11.748 4.121 9.897 471 HH12 ARG 579 1HH2 ARG 579 13.006 3.646 10.965 472 HH21 ARG 579 2HH1 ARG 579 10.764 2.217 13.342 473 HH22 ARG 579 1HH1 ARG 579 12.438 2.518 13.004 474 H PHE 580 H PHE 580 10.314 0.316 4.921 475 HA PHE 580 HA PHE 580 7.720 0.396 3.423 476 HD1 PHE 580 2HD PHE 580 7.571 1.396 1.359 477 HD2 PHE 580 1HD PHE 580 11.787 1.221 1.898 478 HE1 PHE 580 2HE PHE 580 7.810 3.383 -0.093 479 HE2 PHE 580 1HE PHE 580 12.081 3.151 0.320 480 HZ PHE 580 HZ PHE 580 10.080 4.256 -0.630 481 HB2 PHE 580 1HB PHE 580 10.540 -0.463 2.779 482 HB3 PHE 580 2HB PHE 580 9.213 -0.954 1.783 483 H PHE 581 H PHE 581 6.857 -1.764 2.901 484 HA PHE 581 HA PHE 581 7.740 -4.028 4.591 485 HD1 PHE 581 2HD PHE 581 7.242 -5.203 6.440 486 HD2 PHE 581 1HD PHE 581 3.163 -4.507 5.235 487 HE1 PHE 581 2HE PHE 581 6.514 -7.132 7.805 488 HE2 PHE 581 1HE PHE 581 2.448 -6.490 6.625 489 HZ PHE 581 HZ PHE 581 4.133 -7.746 7.915 490 HB2 PHE 581 1HB PHE 581 5.917 -2.739 5.763 491 HB3 PHE 581 2HB PHE 581 4.845 -3.058 4.432 492 H PHE 582 H PHE 582 8.535 -5.128 2.720 493 HA PHE 582 HA PHE 582 6.890 -5.221 0.321 494 HD1 PHE 582 2HD PHE 582 8.368 -4.487 -1.620 495 HD2 PHE 582 1HD PHE 582 11.230 -5.474 1.460 496 HE1 PHE 582 2HE PHE 582 9.739 -2.474 -2.193 497 HE2 PHE 582 1HE PHE 582 12.683 -3.692 0.673 498 HZ PHE 582 HZ PHE 582 11.914 -2.078 -1.030 499 HB2 PHE 582 1HB PHE 582 9.254 -6.892 1.107 500 HB3 PHE 582 2HB PHE 582 8.530 -6.853 -0.484 501 H TYR 583 H TYR 583 5.765 -7.197 -0.464 502 HA TYR 583 HA TYR 583 5.494 -9.457 1.394 503 HD1 TYR 583 1HD TYR 583 1.866 -9.357 -0.481 504 HD2 TYR 583 2HD TYR 583 3.318 -5.610 0.998 505 HE1 TYR 583 1HE TYR 583 0.424 -8.198 -2.134 506 HE2 TYR 583 2HE TYR 583 1.813 -4.411 -0.569 507 HH TYR 583 HH TYR 583 -0.384 -6.171 -2.823 508 HB2 TYR 583 1HB TYR 583 3.115 -9.248 1.604 509 HB3 TYR 583 2HB TYR 583 3.828 -7.743 2.163 510 H THR 584 H THR 584 3.713 -11.086 0.354 511 HA THR 584 HA THR 584 4.528 -11.361 -2.484 512 HB THR 584 HB THR 584 4.246 -13.659 -2.273 513 HG1 THR 584 1HG THR 584 3.117 -13.432 0.334 514 HG21 THR 584 3HG2 THR 584 6.266 -12.780 -1.078 515 HG22 THR 584 1HG2 THR 584 5.381 -12.901 0.455 516 HG23 THR 584 2HG2 THR 584 5.706 -14.358 -0.495 517 H SER 585 H SER 585 2.965 -11.343 -4.166 518 HA SER 585 HA SER 585 0.269 -10.542 -3.529 519 HG SER 585 HG SER 585 0.070 -9.681 -6.782 520 HB2 SER 585 1HB SER 585 1.796 -10.787 -5.913 521 HB3 SER 585 2HB SER 585 0.384 -11.832 -6.125 522 H LYS 586 H LYS 586 1.839 -13.662 -3.678 523 HA LYS 586 HA LYS 586 -0.491 -15.314 -3.972 524 HB2 LYS 586 1HB LYS 586 2.294 -15.777 -2.801 525 HB3 LYS 586 2HB LYS 586 1.050 -17.015 -2.803 526 HG2 LYS 586 1HG LYS 586 0.858 -16.569 -5.368 527 HG3 LYS 586 2HG LYS 586 2.441 -15.792 -5.187 528 HD2 LYS 586 1HD LYS 586 1.729 -18.644 -4.323 529 HD3 LYS 586 2HD LYS 586 2.531 -18.241 -5.845 530 HE2 LYS 586 1HE LYS 586 4.516 -17.513 -4.775 531 HE3 LYS 586 2HE LYS 586 3.727 -17.327 -3.212 532 HZ1 LYS 586 3HZ LYS 586 4.296 -19.945 -4.474 533 HZ2 LYS 586 1HZ LYS 586 5.103 -19.221 -3.250 534 HZ3 LYS 586 2HZ LYS 586 3.570 -19.704 -3.001 535 H GLU 587 H GLU 587 0.728 -13.497 -1.170 536 HA GLU 587 HA GLU 587 -0.421 -15.177 0.793 537 HB2 GLU 587 1HB GLU 587 0.703 -12.494 0.764 538 HB3 GLU 587 2HB GLU 587 -0.848 -12.427 1.561 539 HG2 GLU 587 1HG GLU 587 0.403 -12.974 3.372 540 HG3 GLU 587 2HG GLU 587 -0.023 -14.568 2.870 541 HA PRO 588 HA PRO 588 -4.851 -14.214 0.144 542 HB2 PRO 588 1HB PRO 588 -5.352 -14.438 3.023 543 HB3 PRO 588 2HB PRO 588 -5.899 -15.533 1.728 544 HG2 PRO 588 1HG PRO 588 -3.998 -16.245 3.647 545 HG3 PRO 588 2HG PRO 588 -4.148 -16.962 2.023 546 HD2 PRO 588 1HD PRO 588 -2.252 -14.810 2.938 547 HD3 PRO 588 2HD PRO 588 -1.895 -16.182 1.898 548 H VAL 589 H VAL 589 -5.457 -12.124 -0.002 549 HA VAL 589 HA VAL 589 -4.120 -9.948 1.073 550 HB VAL 589 HB VAL 589 -7.042 -10.256 0.283 551 HG11 VAL 589 1HG1 VAL 589 -5.477 -7.642 0.329 552 HG12 VAL 589 2HG1 VAL 589 -7.190 -7.906 -0.102 553 HG13 VAL 589 3HG1 VAL 589 -6.649 -8.116 1.563 554 HG21 VAL 589 3HG2 VAL 589 -4.794 -9.085 -1.400 555 HG22 VAL 589 1HG2 VAL 589 -5.172 -10.790 -1.436 556 HG23 VAL 589 2HG2 VAL 589 -6.419 -9.639 -1.909 557 H ALA 590 H ALA 590 -6.856 -11.783 2.475 558 HA ALA 590 HA ALA 590 -7.283 -10.227 4.788 559 HB1 ALA 590 1HB ALA 590 -7.581 -13.220 4.306 560 HB2 ALA 590 2HB ALA 590 -8.265 -12.330 5.669 561 HB3 ALA 590 3HB ALA 590 -8.818 -11.963 4.037 562 H SER 591 H SER 591 -4.759 -12.831 4.259 563 HA SER 591 HA SER 591 -4.021 -12.804 7.081 564 HG SER 591 HG SER 591 -1.657 -15.198 6.524 565 HB2 SER 591 1HB SER 591 -3.659 -14.790 5.616 566 HB3 SER 591 2HB SER 591 -2.457 -13.842 4.700 567 H ILE 592 H ILE 592 -2.654 -11.326 3.986 568 HA ILE 592 HA ILE 592 -0.515 -10.141 5.241 569 HB ILE 592 HB ILE 592 -1.573 -10.497 2.677 570 HG12 ILE 592 1HG1 ILE 592 0.752 -10.679 3.425 571 HG13 ILE 592 2HG1 ILE 592 0.573 -9.822 1.897 572 HG21 ILE 592 1HG2 ILE 592 -1.370 -8.342 1.529 573 HG22 ILE 592 2HG2 ILE 592 -2.791 -8.428 2.559 574 HG23 ILE 592 3HG2 ILE 592 -1.381 -7.515 3.076 575 HD11 ILE 592 3HD1 ILE 592 0.793 -8.416 4.579 576 HD12 ILE 592 1HD1 ILE 592 2.188 -8.801 3.556 577 HD13 ILE 592 2HD1 ILE 592 0.947 -7.695 2.955 578 H ILE 593 H ILE 593 -3.822 -8.911 4.758 579 HA ILE 593 HA ILE 593 -3.550 -6.390 5.974 580 HB ILE 593 HB ILE 593 -5.786 -8.360 5.494 581 HG12 ILE 593 1HG1 ILE 593 -5.263 -5.448 4.726 582 HG13 ILE 593 2HG1 ILE 593 -4.932 -6.861 3.719 583 HG21 ILE 593 1HG2 ILE 593 -7.427 -6.752 6.450 584 HG22 ILE 593 2HG2 ILE 593 -6.482 -7.637 7.622 585 HG23 ILE 593 3HG2 ILE 593 -6.049 -5.943 7.242 586 HD11 ILE 593 3HD1 ILE 593 -6.925 -5.906 2.881 587 HD12 ILE 593 1HD1 ILE 593 -7.424 -7.363 3.774 588 HD13 ILE 593 2HD1 ILE 593 -7.636 -5.744 4.488 589 H THR 594 H THR 594 -4.584 -9.417 7.615 590 HA THR 594 HA THR 594 -4.443 -8.682 10.195 591 HB THR 594 HB THR 594 -3.184 -11.291 9.292 592 HG1 THR 594 1HG THR 594 -5.306 -10.840 8.358 593 HG21 THR 594 3HG2 THR 594 -2.951 -10.835 11.705 594 HG22 THR 594 1HG2 THR 594 -4.678 -10.469 11.811 595 HG23 THR 594 2HG2 THR 594 -4.123 -12.115 11.444 596 H LYS 595 H LYS 595 -1.314 -9.096 8.273 597 HA LYS 595 HA LYS 595 0.312 -8.869 10.646 598 HB2 LYS 595 1HB LYS 595 0.814 -8.500 7.657 599 HB3 LYS 595 2HB LYS 595 1.944 -7.941 8.844 600 HG2 LYS 595 1HG LYS 595 2.854 -10.004 8.617 601 HG3 LYS 595 2HG LYS 595 1.675 -10.403 9.859 602 HD2 LYS 595 1HD LYS 595 0.150 -10.786 7.654 603 HD3 LYS 595 2HD LYS 595 1.722 -11.090 6.933 604 HE2 LYS 595 1HE LYS 595 2.257 -12.750 8.684 605 HE3 LYS 595 2HE LYS 595 0.664 -12.511 9.406 606 HZ1 LYS 595 3HZ LYS 595 0.642 -14.434 7.958 607 HZ2 LYS 595 1HZ LYS 595 -0.294 -13.306 7.264 608 HZ3 LYS 595 2HZ LYS 595 1.227 -13.624 6.705 609 H LEU 596 H LEU 596 -0.927 -6.505 8.267 610 HA LEU 596 HA LEU 596 0.232 -4.177 9.467 611 HG LEU 596 HG LEU 596 -0.520 -5.300 6.592 612 HB2 LEU 596 1HB LEU 596 -2.409 -4.423 8.008 613 HB3 LEU 596 2HB LEU 596 -1.505 -2.945 8.275 614 HD11 LEU 596 1HD1 LEU 596 -2.426 -4.436 5.533 615 HD12 LEU 596 2HD1 LEU 596 -1.986 -2.762 5.844 616 HD13 LEU 596 3HD1 LEU 596 -1.049 -3.708 4.686 617 HD21 LEU 596 3HD2 LEU 596 1.376 -4.047 7.392 618 HD22 LEU 596 1HD2 LEU 596 1.100 -3.605 5.702 619 HD23 LEU 596 2HD2 LEU 596 0.609 -2.503 7.005 620 H ASN 597 H ASN 597 -2.680 -6.012 10.193 621 HA ASN 597 HA ASN 597 -3.894 -4.052 11.913 622 HB2 ASN 597 1HB ASN 597 -4.342 -7.060 11.774 623 HB3 ASN 597 2HB ASN 597 -5.398 -5.903 12.569 624 HD21 ASN 597 1HD2 ASN 597 -6.612 -7.437 10.737 625 HD22 ASN 597 2HD2 ASN 597 -6.825 -6.630 9.242 626 H SER 598 H SER 598 -1.552 -6.624 12.502 627 HA SER 598 HA SER 598 -1.887 -6.620 15.387 628 HG SER 598 HG SER 598 1.076 -8.663 13.468 629 HB2 SER 598 1HB SER 598 -0.276 -8.280 15.372 630 HB3 SER 598 2HB SER 598 -1.054 -8.496 13.801 631 H LEU 599 H LEU 599 0.374 -5.349 13.023 632 HA LEU 599 HA LEU 599 2.088 -3.868 14.699 633 HG LEU 599 HG LEU 599 2.267 -5.572 12.226 634 HB2 LEU 599 1HB LEU 599 1.201 -3.295 11.837 635 HB3 LEU 599 2HB LEU 599 2.602 -2.561 12.613 636 HD11 LEU 599 1HD1 LEU 599 3.789 -3.554 10.518 637 HD12 LEU 599 2HD1 LEU 599 3.814 -5.308 10.301 638 HD13 LEU 599 3HD1 LEU 599 2.322 -4.417 10.044 639 HD21 LEU 599 3HD2 LEU 599 3.782 -5.047 14.047 640 HD22 LEU 599 1HD2 LEU 599 4.664 -5.664 12.658 641 HD23 LEU 599 2HD2 LEU 599 4.676 -3.918 13.004 642 H ASN 600 H ASN 600 -0.921 -2.949 13.112 643 HA ASN 600 HA ASN 600 -2.563 -1.541 13.640 644 HB2 ASN 600 1HB ASN 600 -1.926 -2.316 16.014 645 HB3 ASN 600 2HB ASN 600 -1.107 -0.755 16.166 646 HD21 ASN 600 1HD2 ASN 600 -2.539 -0.190 17.861 647 HD22 ASN 600 2HD2 ASN 600 -4.138 0.476 17.454 648 H GLU 601 H GLU 601 0.240 -0.668 12.545 649 HA GLU 601 HA GLU 601 0.374 2.102 13.235 650 HB2 GLU 601 1HB GLU 601 1.958 0.301 11.353 651 HB3 GLU 601 2HB GLU 601 2.375 1.991 11.622 652 HG2 GLU 601 1HG GLU 601 1.979 0.595 14.170 653 HG3 GLU 601 2HG GLU 601 3.138 -0.258 13.160 654 HA PRO 602 HA PRO 602 -1.774 3.733 9.723 655 HB2 PRO 602 1HB PRO 602 -0.597 6.204 9.380 656 HB3 PRO 602 2HB PRO 602 -1.699 5.829 10.726 657 HG2 PRO 602 1HG PRO 602 1.316 5.824 10.733 658 HG3 PRO 602 2HG PRO 602 0.196 6.488 11.958 659 HD2 PRO 602 1HD PRO 602 1.403 4.063 12.244 660 HD3 PRO 602 2HD PRO 602 -0.255 4.366 12.842 661 H LEU 603 H LEU 603 -1.648 3.752 7.520 662 HA LEU 603 HA LEU 603 1.025 3.401 6.250 663 HG LEU 603 HG LEU 603 -0.988 1.207 7.677 664 HB2 LEU 603 1HB LEU 603 -1.573 2.094 5.415 665 HB3 LEU 603 2HB LEU 603 0.052 1.697 4.852 666 HD11 LEU 603 1HD1 LEU 603 -1.175 -1.066 7.055 667 HD12 LEU 603 2HD1 LEU 603 -2.140 -0.116 5.924 668 HD13 LEU 603 3HD1 LEU 603 -0.554 -0.752 5.408 669 HD21 LEU 603 3HD2 LEU 603 1.028 -0.267 7.829 670 HD22 LEU 603 1HD2 LEU 603 1.581 0.359 6.256 671 HD23 LEU 603 2HD2 LEU 603 1.431 1.434 7.666 672 H VAL 604 H VAL 604 0.905 3.584 3.812 673 HA VAL 604 HA VAL 604 -1.421 4.906 2.675 674 HB VAL 604 HB VAL 604 -0.077 6.840 3.012 675 HG11 VAL 604 1HG1 VAL 604 2.275 7.122 2.331 676 HG12 VAL 604 2HG1 VAL 604 2.100 5.915 3.607 677 HG13 VAL 604 3HG1 VAL 604 2.366 5.395 1.934 678 HG21 VAL 604 3HG2 VAL 604 -0.982 6.697 0.702 679 HG22 VAL 604 1HG2 VAL 604 0.512 7.654 0.816 680 HG23 VAL 604 2HG2 VAL 604 0.552 6.011 0.155 681 H THR 605 H THR 605 -2.026 3.615 0.886 682 HA THR 605 HA THR 605 -0.071 2.620 -0.868 683 HB THR 605 HB THR 605 0.190 0.905 0.937 684 HG1 THR 605 1HG THR 605 0.592 0.469 -1.185 685 HG21 THR 605 3HG2 THR 605 -2.019 0.839 1.900 686 HG22 THR 605 1HG2 THR 605 -2.717 0.258 0.392 687 HG23 THR 605 2HG2 THR 605 -1.608 -0.774 1.293 688 H MET 606 H MET 606 -1.614 0.969 -2.623 689 HA MET 606 HA MET 606 -4.168 2.312 -2.965 690 HB2 MET 606 1HB MET 606 -3.886 1.757 -5.189 691 HB3 MET 606 2HB MET 606 -2.460 2.527 -4.761 692 HG2 MET 606 1HG MET 606 -1.173 0.652 -4.883 693 HG3 MET 606 2HG MET 606 -2.511 -0.471 -4.551 694 HE1 MET 606 3HE MET 606 -3.776 -1.808 -7.602 695 HE2 MET 606 1HE MET 606 -2.546 -2.308 -6.418 696 HE3 MET 606 2HE MET 606 -3.996 -1.476 -5.873 697 HA PRO 607 HA PRO 607 -6.207 -1.314 -1.813 698 HB2 PRO 607 1HB PRO 607 -7.672 -2.430 -3.867 699 HB3 PRO 607 2HB PRO 607 -8.097 -0.930 -3.019 700 HG2 PRO 607 1HG PRO 607 -6.870 -1.283 -5.705 701 HG3 PRO 607 2HG PRO 607 -7.937 0.027 -5.126 702 HD2 PRO 607 1HD PRO 607 -5.188 0.204 -5.408 703 HD3 PRO 607 2HD PRO 607 -6.142 1.263 -4.368 704 H ILE 608 H ILE 608 -4.878 -2.838 -1.105 705 HA ILE 608 HA ILE 608 -2.873 -4.187 -2.508 706 HB ILE 608 HB ILE 608 -4.353 -4.765 0.097 707 HG12 ILE 608 1HG1 ILE 608 -3.017 -2.579 -0.133 708 HG13 ILE 608 2HG1 ILE 608 -2.718 -3.577 1.262 709 HG21 ILE 608 1HG2 ILE 608 -1.849 -6.149 -0.925 710 HG22 ILE 608 2HG2 ILE 608 -2.342 -6.152 0.766 711 HG23 ILE 608 3HG2 ILE 608 -3.383 -6.881 -0.455 712 HD11 ILE 608 3HD1 ILE 608 -0.657 -2.622 0.224 713 HD12 ILE 608 1HD1 ILE 608 -0.623 -4.378 0.381 714 HD13 ILE 608 2HD1 ILE 608 -0.949 -3.631 -1.196 715 H GLY 609 H GLY 609 -6.190 -5.283 -1.754 716 HA2 GLY 609 1HA GLY 609 -5.676 -7.776 -3.282 717 HA3 GLY 609 2HA GLY 609 -7.062 -7.447 -2.225 718 H TYR 610 H TYR 610 -5.519 -6.378 -5.199 719 HA TYR 610 HA TYR 610 -8.207 -5.894 -6.401 720 HD1 TYR 610 1HD TYR 610 -9.597 -4.766 -7.447 721 HD2 TYR 610 2HD TYR 610 -6.281 -2.042 -8.120 722 HE1 TYR 610 1HE TYR 610 -10.809 -3.710 -9.234 723 HE2 TYR 610 2HE TYR 610 -7.586 -0.959 -9.931 724 HH TYR 610 HH TYR 610 -9.591 -0.890 -11.056 725 HB2 TYR 610 1HB TYR 610 -7.300 -3.725 -5.592 726 HB3 TYR 610 2HB TYR 610 -5.935 -3.910 -6.682 727 H VAL 611 H VAL 611 -6.807 -5.011 -8.844 728 HA VAL 611 HA VAL 611 -6.319 -6.857 -10.532 729 HB VAL 611 HB VAL 611 -4.125 -5.665 -11.288 730 HG11 VAL 611 1HG1 VAL 611 -6.696 -4.042 -10.912 731 HG12 VAL 611 2HG1 VAL 611 -5.414 -3.718 -12.099 732 HG13 VAL 611 3HG1 VAL 611 -6.363 -5.198 -12.221 733 HG21 VAL 611 3HG2 VAL 611 -3.714 -3.441 -10.393 734 HG22 VAL 611 1HG2 VAL 611 -4.909 -3.680 -9.108 735 HG23 VAL 611 2HG2 VAL 611 -3.415 -4.645 -9.158 736 H THR 612 H THR 612 -3.786 -6.262 -8.082 737 HA THR 612 HA THR 612 -1.938 -8.238 -8.550 738 HB THR 612 HB THR 612 -1.686 -7.904 -5.955 739 HG1 THR 612 1HG THR 612 -3.092 -6.493 -5.066 740 HG21 THR 612 3HG2 THR 612 -0.759 -5.619 -6.322 741 HG22 THR 612 1HG2 THR 612 -0.311 -6.727 -7.627 742 HG23 THR 612 2HG2 THR 612 -1.592 -5.527 -7.894 743 H HIS 613 H HIS 613 -4.809 -8.462 -6.344 744 HA HIS 613 HA HIS 613 -4.227 -11.309 -6.134 745 HD1 HIS 613 1HD HIS 613 -3.144 -12.174 -4.351 746 HD2 HIS 613 2HD HIS 613 -7.092 -12.363 -2.826 747 HE1 HIS 613 1HE HIS 613 -3.282 -14.223 -2.890 748 HE2 HIS 613 2HE HIS 613 -5.718 -14.383 -2.033 749 HB2 HIS 613 1HB HIS 613 -5.139 -9.721 -4.162 750 HB3 HIS 613 2HB HIS 613 -6.653 -10.410 -4.705 751 H GLY 614 H GLY 614 -5.508 -9.762 -8.552 752 HA2 GLY 614 1HA GLY 614 -7.053 -10.195 -10.185 753 HA3 GLY 614 2HA GLY 614 -7.215 -11.837 -9.539 754 H PHE 615 H PHE 615 -7.862 -8.681 -7.875 755 HA PHE 615 HA PHE 615 -10.626 -9.649 -7.248 756 HD1 PHE 615 1HD PHE 615 -9.497 -11.152 -5.995 757 HD2 PHE 615 2HD PHE 615 -9.710 -7.881 -3.225 758 HE1 PHE 615 1HE PHE 615 -9.354 -12.721 -4.109 759 HE2 PHE 615 2HE PHE 615 -9.489 -9.415 -1.332 760 HZ PHE 615 HZ PHE 615 -9.285 -11.847 -1.732 761 HB2 PHE 615 1HB PHE 615 -8.600 -7.922 -5.870 762 HB3 PHE 615 2HB PHE 615 -10.304 -7.617 -5.586 763 H ASN 616 H ASN 616 -12.178 -8.211 -7.290 764 HA ASN 616 HA ASN 616 -12.040 -5.999 -9.262 765 HB2 ASN 616 1HB ASN 616 -14.586 -5.892 -8.836 766 HB3 ASN 616 2HB ASN 616 -13.991 -7.362 -9.584 767 HD21 ASN 616 1HD2 ASN 616 -16.255 -6.483 -7.299 768 HD22 ASN 616 2HD2 ASN 616 -16.189 -8.021 -6.473 769 H LEU 617 H LEU 617 -13.036 -3.953 -8.679 770 HA LEU 617 HA LEU 617 -11.536 -2.869 -6.589 771 HG LEU 617 HG LEU 617 -13.084 -0.180 -6.164 772 HB2 LEU 617 1HB LEU 617 -12.375 -1.738 -8.687 773 HB3 LEU 617 2HB LEU 617 -13.976 -1.657 -7.962 774 HD11 LEU 617 1HD1 LEU 617 -10.781 0.812 -6.475 775 HD12 LEU 617 2HD1 LEU 617 -10.742 -0.896 -6.023 776 HD13 LEU 617 3HD1 LEU 617 -10.457 -0.421 -7.712 777 HD21 LEU 617 3HD2 LEU 617 -13.979 0.758 -8.302 778 HD22 LEU 617 1HD2 LEU 617 -12.742 1.795 -7.566 779 HD23 LEU 617 2HD2 LEU 617 -12.337 0.767 -8.966 780 H GLU 618 H GLU 618 -14.899 -3.850 -6.642 781 HA GLU 618 HA GLU 618 -15.700 -2.825 -4.105 782 HB2 GLU 618 1HB GLU 618 -17.114 -3.486 -6.065 783 HB3 GLU 618 2HB GLU 618 -16.729 -5.176 -5.706 784 HG2 GLU 618 1HG GLU 618 -17.801 -4.897 -3.460 785 HG3 GLU 618 2HG GLU 618 -18.272 -3.254 -3.919 786 H GLU 619 H GLU 619 -14.658 -6.276 -5.087 787 HA GLU 619 HA GLU 619 -14.514 -7.353 -2.534 788 HB2 GLU 619 1HB GLU 619 -13.287 -7.754 -5.238 789 HB3 GLU 619 2HB GLU 619 -12.349 -8.417 -3.912 790 HG2 GLU 619 1HG GLU 619 -15.330 -8.941 -4.095 791 HG3 GLU 619 2HG GLU 619 -14.192 -9.813 -5.084 792 H ALA 620 H ALA 620 -12.021 -5.492 -4.322 793 HA ALA 620 HA ALA 620 -10.057 -5.607 -2.378 794 HB1 ALA 620 1HB ALA 620 -8.984 -3.928 -3.557 795 HB2 ALA 620 2HB ALA 620 -9.998 -4.606 -4.783 796 HB3 ALA 620 3HB ALA 620 -10.496 -3.071 -4.014 797 H ALA 621 H ALA 621 -12.674 -3.202 -2.620 798 HA ALA 621 HA ALA 621 -12.063 -1.684 -0.252 799 HB1 ALA 621 1HB ALA 621 -13.437 -0.706 -1.939 800 HB2 ALA 621 2HB ALA 621 -14.534 -2.088 -1.978 801 HB3 ALA 621 3HB ALA 621 -14.514 -1.033 -0.573 802 H ARG 622 H ARG 622 -14.197 -4.553 -0.812 803 HA ARG 622 HA ARG 622 -15.261 -4.545 1.850 804 HE ARG 622 HE ARG 622 -19.496 -6.827 1.083 805 HB2 ARG 622 1HB ARG 622 -15.009 -6.825 -0.172 806 HB3 ARG 622 2HB ARG 622 -15.804 -6.976 1.394 807 HG2 ARG 622 1HG ARG 622 -17.342 -5.052 0.686 808 HG3 ARG 622 2HG ARG 622 -16.678 -5.239 -0.930 809 HD2 ARG 622 1HD ARG 622 -18.643 -6.465 -1.014 810 HD3 ARG 622 2HD ARG 622 -17.400 -7.695 -0.803 811 HH11 ARG 622 2HH2 ARG 622 -17.282 -9.419 0.276 812 HH12 ARG 622 1HH2 ARG 622 -17.517 -10.199 1.797 813 HH21 ARG 622 2HH1 ARG 622 -19.515 -7.716 3.215 814 HH22 ARG 622 1HH1 ARG 622 -18.709 -9.234 3.453 815 H CYS 623 H CYS 623 -12.526 -6.337 0.387 816 HA CYS 623 HA CYS 623 -11.749 -7.688 2.747 817 HG CYS 623 HG CYS 623 -9.003 -7.919 2.906 818 HB2 CYS 623 1HB CYS 623 -11.004 -8.090 0.283 819 HB3 CYS 623 2HB CYS 623 -9.811 -6.807 0.576 820 H MET 624 H MET 624 -10.865 -4.433 1.473 821 HA MET 624 HA MET 624 -8.758 -3.926 3.341 822 HB2 MET 624 1HB MET 624 -10.396 -2.284 1.450 823 HB3 MET 624 2HB MET 624 -9.651 -1.422 2.789 824 HG2 MET 624 1HG MET 624 -7.969 -3.263 1.125 825 HG3 MET 624 2HG MET 624 -8.375 -1.637 0.561 826 HE1 MET 624 3HE MET 624 -6.075 -0.165 0.601 827 HE2 MET 624 1HE MET 624 -4.748 -0.853 1.537 828 HE3 MET 624 2HE MET 624 -5.618 -1.879 0.380 829 H ARG 625 H ARG 625 -12.310 -3.817 3.805 830 HA ARG 625 HA ARG 625 -12.181 -2.159 6.170 831 HE ARG 625 HE ARG 625 -17.158 -0.866 4.232 832 HB2 ARG 625 1HB ARG 625 -14.083 -4.346 5.305 833 HB3 ARG 625 2HB ARG 625 -14.314 -3.340 6.733 834 HG2 ARG 625 1HG ARG 625 -14.281 -1.312 5.111 835 HG3 ARG 625 2HG ARG 625 -14.483 -2.534 3.824 836 HD2 ARG 625 1HD ARG 625 -16.374 -3.464 5.380 837 HD3 ARG 625 2HD ARG 625 -16.311 -1.897 6.165 838 HH11 ARG 625 2HH2 ARG 625 -17.058 -4.447 3.919 839 HH12 ARG 625 1HH2 ARG 625 -18.163 -4.451 2.593 840 HH21 ARG 625 2HH1 ARG 625 -18.554 -0.945 2.396 841 HH22 ARG 625 1HH1 ARG 625 -18.835 -2.439 1.600 842 H SER 626 H SER 626 -11.289 -5.505 5.579 843 HA SER 626 HA SER 626 -11.350 -6.338 8.384 844 HG SER 626 HG SER 626 -11.566 -8.952 7.705 845 HB2 SER 626 1HB SER 626 -11.343 -7.703 6.052 846 HB3 SER 626 2HB SER 626 -9.593 -7.603 6.283 847 H LEU 627 H LEU 627 -9.400 -4.073 6.653 848 HA LEU 627 HA LEU 627 -7.031 -4.504 8.295 849 HG LEU 627 HG LEU 627 -5.981 -1.863 8.439 850 HB2 LEU 627 1HB LEU 627 -6.966 -3.345 5.969 851 HB3 LEU 627 2HB LEU 627 -7.916 -2.050 6.699 852 HD11 LEU 627 1HD1 LEU 627 -4.525 -3.182 6.111 853 HD12 LEU 627 2HD1 LEU 627 -3.783 -2.447 7.552 854 HD13 LEU 627 3HD1 LEU 627 -4.758 -3.913 7.690 855 HD21 LEU 627 3HD2 LEU 627 -4.804 -0.287 6.991 856 HD22 LEU 627 1HD2 LEU 627 -5.599 -0.975 5.546 857 HD23 LEU 627 2HD2 LEU 627 -6.548 -0.133 6.787 858 H LYS 628 H LYS 628 -6.929 -3.897 10.271 859 HA LYS 628 HA LYS 628 -9.123 -2.326 11.536 860 HB2 LYS 628 1HB LYS 628 -7.082 -4.282 12.674 861 HB3 LYS 628 2HB LYS 628 -8.378 -3.530 13.597 862 HG2 LYS 628 1HG LYS 628 -10.037 -4.854 12.652 863 HG3 LYS 628 2HG LYS 628 -9.256 -5.015 11.130 864 HD2 LYS 628 1HD LYS 628 -8.857 -7.088 11.693 865 HD3 LYS 628 2HD LYS 628 -7.550 -6.502 12.708 866 HE2 LYS 628 1HE LYS 628 -10.424 -6.984 13.590 867 HE3 LYS 628 2HE LYS 628 -9.060 -8.078 13.873 868 HZ1 LYS 628 3HZ LYS 628 -7.983 -6.245 15.121 869 HZ2 LYS 628 1HZ LYS 628 -9.388 -5.377 15.025 870 HZ3 LYS 628 2HZ LYS 628 -9.341 -6.788 15.836 871 H ALA 629 H ALA 629 -6.226 -1.707 10.225 872 HA ALA 629 HA ALA 629 -5.171 0.103 12.301 873 HB1 ALA 629 1HB ALA 629 -3.031 -0.155 11.055 874 HB2 ALA 629 2HB ALA 629 -3.662 -1.734 11.523 875 HB3 ALA 629 3HB ALA 629 -3.839 -1.162 9.847 876 HA PRO 630 HA PRO 630 -6.212 3.475 9.536 877 HB2 PRO 630 1HB PRO 630 -3.771 4.986 9.819 878 HB3 PRO 630 2HB PRO 630 -5.281 5.185 10.734 879 HG2 PRO 630 1HG PRO 630 -2.832 4.242 11.833 880 HG3 PRO 630 2HG PRO 630 -4.437 4.121 12.564 881 HD2 PRO 630 1HD PRO 630 -2.927 2.073 11.053 882 HD3 PRO 630 2HD PRO 630 -4.045 1.878 12.424 883 H ALA 631 H ALA 631 -6.010 3.888 7.238 884 HA ALA 631 HA ALA 631 -3.319 3.867 6.147 885 HB1 ALA 631 1HB ALA 631 -3.766 2.303 4.329 886 HB2 ALA 631 2HB ALA 631 -3.914 1.489 5.884 887 HB3 ALA 631 3HB ALA 631 -5.386 1.944 4.991 888 H VAL 632 H VAL 632 -3.100 5.186 4.406 889 HA VAL 632 HA VAL 632 -5.452 6.480 3.180 890 HB VAL 632 HB VAL 632 -2.488 6.659 2.495 891 HG11 VAL 632 1HG1 VAL 632 -3.961 7.192 0.581 892 HG12 VAL 632 2HG1 VAL 632 -4.780 8.424 1.564 893 HG13 VAL 632 3HG1 VAL 632 -3.066 8.595 1.152 894 HG21 VAL 632 3HG2 VAL 632 -2.694 8.967 3.513 895 HG22 VAL 632 1HG2 VAL 632 -4.273 8.450 4.135 896 HG23 VAL 632 2HG2 VAL 632 -2.802 7.634 4.681 897 H VAL 633 H VAL 633 -6.295 5.762 1.205 898 HA VAL 633 HA VAL 633 -5.130 3.315 -0.062 899 HB VAL 633 HB VAL 633 -7.966 4.251 -0.492 900 HG11 VAL 633 1HG1 VAL 633 -8.263 1.867 -1.103 901 HG12 VAL 633 2HG1 VAL 633 -7.014 2.628 -2.079 902 HG13 VAL 633 3HG1 VAL 633 -6.560 1.554 -0.742 903 HG21 VAL 633 3HG2 VAL 633 -7.213 2.270 1.680 904 HG22 VAL 633 1HG2 VAL 633 -7.902 3.892 1.947 905 HG23 VAL 633 2HG2 VAL 633 -8.822 2.644 1.100 906 H SER 634 H SER 634 -4.883 3.668 -2.419 907 HA SER 634 HA SER 634 -5.443 6.383 -3.499 908 HG SER 634 HG SER 634 -2.502 6.707 -5.096 909 HB2 SER 634 1HB SER 634 -2.962 5.134 -3.239 910 HB3 SER 634 2HB SER 634 -3.411 4.751 -4.910 911 H VAL 635 H VAL 635 -6.014 6.323 -5.860 912 HA VAL 635 HA VAL 635 -6.622 3.729 -7.034 913 HB VAL 635 HB VAL 635 -8.839 4.661 -7.868 914 HG11 VAL 635 1HG1 VAL 635 -8.816 3.937 -4.911 915 HG12 VAL 635 2HG1 VAL 635 -10.162 3.769 -6.056 916 HG13 VAL 635 3HG1 VAL 635 -8.708 2.774 -6.249 917 HG21 VAL 635 3HG2 VAL 635 -8.567 7.001 -7.004 918 HG22 VAL 635 1HG2 VAL 635 -10.071 6.224 -6.486 919 HG23 VAL 635 2HG2 VAL 635 -8.737 6.380 -5.347 920 H SER 636 H SER 636 -7.396 4.153 -9.385 921 HA SER 636 HA SER 636 -5.232 5.327 -10.600 922 HG SER 636 HG SER 636 -5.349 4.121 -12.969 923 HB2 SER 636 1HB SER 636 -7.693 3.951 -11.458 924 HB3 SER 636 2HB SER 636 -7.155 5.139 -12.647 925 H SER 637 H SER 637 -8.469 6.893 -10.174 926 HA SER 637 HA SER 637 -7.281 9.450 -11.004 927 HG SER 637 HG SER 637 -9.144 8.103 -14.071 928 HB2 SER 637 1HB SER 637 -9.906 9.239 -12.181 929 HB3 SER 637 2HB SER 637 -8.389 9.742 -12.891 930 HA PRO 638 HA PRO 638 -9.726 10.843 -7.767 931 HB2 PRO 638 1HB PRO 638 -10.650 13.317 -8.507 932 HB3 PRO 638 2HB PRO 638 -8.960 12.943 -8.114 933 HG2 PRO 638 1HG PRO 638 -10.216 13.123 -10.851 934 HG3 PRO 638 2HG PRO 638 -8.623 13.767 -10.308 935 HD2 PRO 638 1HD PRO 638 -8.832 11.485 -11.676 936 HD3 PRO 638 2HD PRO 638 -7.594 11.723 -10.405 937 H ASP 639 H ASP 639 -11.481 10.679 -10.879 938 HA ASP 639 HA ASP 639 -14.115 10.748 -9.858 939 HB2 ASP 639 1HB ASP 639 -12.817 10.299 -12.332 940 HB3 ASP 639 2HB ASP 639 -13.663 8.799 -12.025 941 H ALA 640 H ALA 640 -11.656 8.190 -9.834 942 HA ALA 640 HA ALA 640 -13.511 5.982 -9.398 943 HB1 ALA 640 1HB ALA 640 -11.499 4.636 -9.193 944 HB2 ALA 640 2HB ALA 640 -11.278 5.749 -10.561 945 HB3 ALA 640 3HB ALA 640 -10.484 6.078 -9.012 946 H VAL 641 H VAL 641 -12.056 8.370 -7.417 947 HA VAL 641 HA VAL 641 -11.777 6.964 -4.938 948 HB VAL 641 HB VAL 641 -12.293 9.907 -5.537 949 HG11 VAL 641 1HG1 VAL 641 -11.071 10.325 -3.375 950 HG12 VAL 641 2HG1 VAL 641 -12.638 9.558 -3.180 951 HG13 VAL 641 3HG1 VAL 641 -11.147 8.576 -3.062 952 HG21 VAL 641 3HG2 VAL 641 -9.615 8.543 -5.013 953 HG22 VAL 641 1HG2 VAL 641 -10.191 8.993 -6.625 954 HG23 VAL 641 2HG2 VAL 641 -9.890 10.247 -5.417 955 H THR 642 H THR 642 -14.398 9.047 -6.253 956 HA THR 642 HA THR 642 -16.403 8.541 -4.377 957 HB THR 642 HB THR 642 -16.378 9.221 -7.317 958 HG1 THR 642 1HG THR 642 -15.954 10.978 -6.298 959 HG21 THR 642 3HG2 THR 642 -18.778 9.822 -7.161 960 HG22 THR 642 1HG2 THR 642 -18.517 8.081 -7.066 961 HG23 THR 642 2HG2 THR 642 -18.870 8.999 -5.580 962 H THR 643 H THR 643 -15.494 6.444 -7.209 963 HA THR 643 HA THR 643 -17.684 4.655 -6.744 964 HB THR 643 HB THR 643 -15.032 3.738 -7.871 965 HG1 THR 643 1HG THR 643 -16.932 5.362 -9.192 966 HG21 THR 643 3HG2 THR 643 -16.949 2.129 -7.651 967 HG22 THR 643 1HG2 THR 643 -17.907 3.163 -8.718 968 HG23 THR 643 2HG2 THR 643 -16.451 2.371 -9.331 969 H TYR 644 H TYR 644 -14.196 4.461 -5.668 970 HA TYR 644 HA TYR 644 -14.513 1.976 -4.387 971 HD1 TYR 644 2HD TYR 644 -12.291 3.921 -1.600 972 HD2 TYR 644 1HD TYR 644 -11.738 0.636 -4.294 973 HE1 TYR 644 2HE TYR 644 -11.208 2.635 0.214 974 HE2 TYR 644 1HE TYR 644 -10.568 -0.664 -2.515 975 HH TYR 644 HH TYR 644 -10.256 0.650 0.835 976 HB2 TYR 644 1HB TYR 644 -12.375 2.859 -5.128 977 HB3 TYR 644 2HB TYR 644 -12.500 4.228 -4.031 978 H ASN 645 H ASN 645 -14.613 5.364 -3.009 979 HA ASN 645 HA ASN 645 -15.110 4.508 -0.319 980 HB2 ASN 645 1HB ASN 645 -15.939 7.096 -1.679 981 HB3 ASN 645 2HB ASN 645 -15.976 6.755 0.040 982 HD21 ASN 645 1HD2 ASN 645 -14.133 7.891 -2.465 983 HD22 ASN 645 2HD2 ASN 645 -12.800 8.376 -1.483 984 H GLY 646 H GLY 646 -17.103 5.210 -3.123 985 HA2 GLY 646 1HA GLY 646 -19.761 4.991 -2.228 986 HA3 GLY 646 2HA GLY 646 -19.149 4.317 -3.754 987 H TYR 647 H TYR 647 -17.593 2.230 -3.183 988 HA TYR 647 HA TYR 647 -19.379 0.254 -2.181 989 HD1 TYR 647 2HD TYR 647 -19.584 -0.901 -4.166 990 HD2 TYR 647 1HD TYR 647 -15.380 -0.000 -4.464 991 HE1 TYR 647 2HE TYR 647 -19.739 -1.058 -6.616 992 HE2 TYR 647 1HE TYR 647 -15.516 -0.134 -6.912 993 HH TYR 647 HH TYR 647 -18.487 -1.263 -8.550 994 HB2 TYR 647 1HB TYR 647 -16.361 -0.009 -2.372 995 HB3 TYR 647 2HB TYR 647 -17.535 -1.312 -2.269 996 H LEU 648 H LEU 648 -16.816 2.138 -0.382 997 HA LEU 648 HA LEU 648 -16.787 0.483 1.900 998 HG LEU 648 HG LEU 648 -14.068 2.999 1.863 999 HB2 LEU 648 1HB LEU 648 -16.160 3.348 1.252 1000 HB3 LEU 648 2HB LEU 648 -16.430 2.967 2.910 1001 HD11 LEU 648 1HD1 LEU 648 -14.906 0.719 3.712 1002 HD12 LEU 648 2HD1 LEU 648 -13.279 1.426 3.569 1003 HD13 LEU 648 3HD1 LEU 648 -14.592 2.401 4.215 1004 HD21 LEU 648 3HD2 LEU 648 -14.484 1.338 0.064 1005 HD22 LEU 648 1HD2 LEU 648 -13.128 0.928 1.113 1006 HD23 LEU 648 2HD2 LEU 648 -14.672 0.086 1.319 1007 H THR 649 H THR 649 -18.873 3.378 1.087 1008 HA THR 649 HA THR 649 -20.383 3.024 3.512 1009 HB THR 649 HB THR 649 -21.877 4.784 2.260 1010 HG1 THR 649 1HG THR 649 -21.115 4.734 0.170 1011 HG21 THR 649 3HG2 THR 649 -20.235 6.488 2.916 1012 HG22 THR 649 1HG2 THR 649 -20.297 5.144 4.081 1013 HG23 THR 649 2HG2 THR 649 -18.955 5.230 2.901 1014 H SER 650 H SER 650 -20.966 2.002 0.115 1015 HA SER 650 HA SER 650 -22.972 0.262 1.203 1016 HG SER 650 HG SER 650 -23.885 2.459 1.603 1017 HB2 SER 650 1HB SER 650 -23.784 2.034 -1.136 1018 HB3 SER 650 2HB SER 650 -24.788 0.915 -0.200 1019 H SER 651 H SER 651 -21.765 -1.431 0.623 1020 HA SER 651 HA SER 651 -20.989 -1.999 -2.199 1021 HG SER 651 HG SER 651 -19.431 -1.873 -0.260 1022 HB2 SER 651 1HB SER 651 -21.080 -3.876 0.205 1023 HB3 SER 651 2HB SER 651 -20.348 -4.193 -1.376 Start of MODEL 14 1 H1 GLY -4 H GLY -4 -4.849 12.354 17.520 2 HA2 GLY -4 1HA GLY -4 -5.678 10.507 16.164 3 HA3 GLY -4 2HA GLY -4 -6.740 11.913 15.986 4 H SER -3 H SER -3 -4.487 9.751 14.333 5 HA SER -3 HA SER -3 -4.056 11.334 11.976 6 HG SER -3 HG SER -3 -1.824 9.855 12.146 7 HB2 SER -3 1HB SER -3 -4.178 8.309 12.423 8 HB3 SER -3 2HB SER -3 -3.517 9.114 10.989 9 H HIS -2 H HIS -2 -5.160 11.107 9.930 10 HA HIS -2 HA HIS -2 -7.835 9.822 9.984 11 HD1 HIS -2 1HD HIS -2 -8.997 14.479 9.839 12 HD2 HIS -2 2HD HIS -2 -8.943 10.780 11.899 13 HE1 HIS -2 1HE HIS -2 -10.294 14.822 12.037 14 HE2 HIS -2 2HE HIS -2 -10.204 12.574 13.296 15 HB2 HIS -2 1HB HIS -2 -7.200 12.641 9.001 16 HB3 HIS -2 2HB HIS -2 -8.607 11.743 8.469 17 H MET -1 H MET -1 -8.076 8.540 8.219 18 HA MET -1 HA MET -1 -6.324 8.881 5.869 19 HB2 MET -1 1HB MET -1 -7.149 6.317 7.292 20 HB3 MET -1 2HB MET -1 -6.202 6.463 5.816 21 HG2 MET -1 1HG MET -1 -5.374 7.395 8.576 22 HG3 MET -1 2HG MET -1 -4.738 6.030 7.702 23 HE1 MET -1 3HE MET -1 -2.959 8.543 9.032 24 HE2 MET -1 1HE MET -1 -2.507 6.903 8.490 25 HE3 MET -1 2HE MET -1 -1.657 8.321 7.833 26 H GLY 527 H GLY 527 -7.265 7.471 4.072 27 HA2 GLY 527 1HA GLY 527 -9.903 6.818 3.647 28 HA3 GLY 527 2HA GLY 527 -9.798 8.579 3.384 29 H THR 528 H THR 528 -10.490 7.464 1.178 30 HA THR 528 HA THR 528 -8.162 6.497 -0.303 31 HB THR 528 HB THR 528 -11.037 6.871 -1.210 32 HG1 THR 528 1HG THR 528 -11.334 5.227 -0.074 33 HG21 THR 528 3HG2 THR 528 -8.751 5.229 -2.410 34 HG22 THR 528 1HG2 THR 528 -10.430 5.292 -2.996 35 HG23 THR 528 2HG2 THR 528 -9.396 6.721 -3.112 36 H VAL 529 H VAL 529 -7.045 7.613 -1.862 37 HA VAL 529 HA VAL 529 -7.838 10.388 -2.559 38 HB VAL 529 HB VAL 529 -5.565 11.146 -2.342 39 HG11 VAL 529 1HG1 VAL 529 -6.971 11.267 -0.305 40 HG12 VAL 529 2HG1 VAL 529 -6.308 9.728 0.261 41 HG13 VAL 529 3HG1 VAL 529 -5.241 11.128 0.066 42 HG21 VAL 529 3HG2 VAL 529 -4.867 8.307 -1.520 43 HG22 VAL 529 1HG2 VAL 529 -4.260 9.228 -2.901 44 HG23 VAL 529 2HG2 VAL 529 -3.803 9.691 -1.250 45 H SER 530 H SER 530 -6.021 11.025 -4.424 46 HA SER 530 HA SER 530 -5.697 8.761 -6.291 47 HG SER 530 HG SER 530 -7.883 11.561 -5.913 48 HB2 SER 530 1HB SER 530 -6.664 10.186 -8.122 49 HB3 SER 530 2HB SER 530 -7.826 9.541 -6.958 50 H TRP 531 H TRP 531 -3.704 9.546 -4.892 51 HA TRP 531 HA TRP 531 -2.138 11.653 -6.311 52 HD1 TRP 531 HD TRP 531 -3.339 12.883 -4.338 53 HE1 TRP 531 1HE TRP 531 -3.972 13.594 -1.972 54 HE3 TRP 531 3HE TRP 531 -0.129 9.874 -1.785 55 HZ2 TRP 531 2HZ TRP 531 -3.059 12.942 0.764 56 HZ3 TRP 531 3HZ TRP 531 -0.010 9.948 0.694 57 HH2 TRP 531 HH TRP 531 -1.518 11.498 1.956 58 HB2 TRP 531 1HB TRP 531 -0.744 10.050 -4.273 59 HB3 TRP 531 2HB TRP 531 -0.543 11.675 -4.859 60 H ASN 532 H ASN 532 0.223 10.628 -6.809 61 HA ASN 532 HA ASN 532 -0.212 8.046 -8.247 62 HB2 ASN 532 1HB ASN 532 1.550 8.719 -9.797 63 HB3 ASN 532 2HB ASN 532 0.206 9.826 -9.884 64 HD21 ASN 532 1HD2 ASN 532 0.452 11.959 -8.810 65 HD22 ASN 532 2HD2 ASN 532 2.055 12.634 -8.762 66 H LEU 533 H LEU 533 1.902 6.898 -8.459 67 HA LEU 533 HA LEU 533 2.712 6.107 -5.947 68 HG LEU 533 HG LEU 533 4.331 3.305 -7.781 69 HB2 LEU 533 1HB LEU 533 2.939 5.058 -8.403 70 HB3 LEU 533 2HB LEU 533 4.546 5.718 -8.335 71 HD11 LEU 533 1HD1 LEU 533 6.245 4.634 -6.918 72 HD12 LEU 533 2HD1 LEU 533 5.363 4.811 -5.385 73 HD13 LEU 533 3HD1 LEU 533 5.855 3.211 -5.933 74 HD21 LEU 533 3HD2 LEU 533 3.061 4.120 -5.135 75 HD22 LEU 533 1HD2 LEU 533 2.165 3.382 -6.509 76 HD23 LEU 533 2HD2 LEU 533 3.453 2.503 -5.689 77 H ARG 534 H ARG 534 4.240 8.619 -7.986 78 HA ARG 534 HA ARG 534 6.657 8.708 -6.417 79 HE ARG 534 HE ARG 534 5.923 9.518 -11.833 80 HB2 ARG 534 1HB ARG 534 5.585 11.000 -8.095 81 HB3 ARG 534 2HB ARG 534 7.249 10.630 -7.655 82 HG2 ARG 534 1HG ARG 534 7.112 8.553 -9.096 83 HG3 ARG 534 2HG ARG 534 5.490 9.071 -9.603 84 HD2 ARG 534 1HD ARG 534 7.143 11.354 -9.863 85 HD3 ARG 534 2HD ARG 534 8.111 10.015 -10.461 86 HH11 ARG 534 2HH2 ARG 534 7.187 12.764 -11.092 87 HH12 ARG 534 1HH2 ARG 534 7.093 13.340 -12.721 88 HH21 ARG 534 2HH1 ARG 534 5.552 10.370 -13.944 89 HH22 ARG 534 1HH1 ARG 534 5.984 11.993 -14.361 90 H GLU 535 H GLU 535 3.592 10.571 -6.411 91 HA GLU 535 HA GLU 535 4.236 12.431 -4.366 92 HB2 GLU 535 1HB GLU 535 1.860 11.568 -5.815 93 HB3 GLU 535 2HB GLU 535 1.521 11.794 -4.101 94 HG2 GLU 535 1HG GLU 535 3.146 13.889 -5.562 95 HG3 GLU 535 2HG GLU 535 1.425 13.782 -5.815 96 H MET 536 H MET 536 2.401 9.373 -4.185 97 HA MET 536 HA MET 536 2.299 8.943 -1.465 98 HB2 MET 536 1HB MET 536 2.735 7.018 -3.773 99 HB3 MET 536 2HB MET 536 2.690 6.445 -2.110 100 HG2 MET 536 1HG MET 536 0.483 7.583 -1.817 101 HG3 MET 536 2HG MET 536 0.519 8.034 -3.521 102 HE1 MET 536 3HE MET 536 -1.761 6.685 -1.951 103 HE2 MET 536 1HE MET 536 -2.006 4.969 -2.303 104 HE3 MET 536 2HE MET 536 -0.881 5.457 -1.026 105 H LEU 537 H LEU 537 5.117 7.921 -3.441 106 HA LEU 537 HA LEU 537 6.713 6.958 -1.313 107 HG LEU 537 HG LEU 537 6.446 5.774 -3.800 108 HB2 LEU 537 1HB LEU 537 7.270 8.151 -4.027 109 HB3 LEU 537 2HB LEU 537 8.631 7.674 -2.980 110 HD11 LEU 537 1HD1 LEU 537 8.123 4.924 -5.471 111 HD12 LEU 537 2HD1 LEU 537 7.543 6.559 -5.841 112 HD13 LEU 537 3HD1 LEU 537 9.148 6.331 -5.112 113 HD21 LEU 537 3HD2 LEU 537 8.084 5.306 -1.810 114 HD22 LEU 537 1HD2 LEU 537 7.727 4.079 -3.038 115 HD23 LEU 537 2HD2 LEU 537 9.269 4.970 -3.069 116 H ALA 538 H ALA 538 6.502 10.303 -2.646 117 HA ALA 538 HA ALA 538 8.593 11.356 -0.916 118 HB1 ALA 538 1HB ALA 538 7.717 13.550 -1.620 119 HB2 ALA 538 2HB ALA 538 7.894 12.493 -3.036 120 HB3 ALA 538 3HB ALA 538 6.292 12.784 -2.344 121 H HIS 539 H HIS 539 5.020 11.184 -0.654 122 HA HIS 539 HA HIS 539 4.844 12.530 1.813 123 HD1 HIS 539 1HD HIS 539 2.586 13.895 2.101 124 HD2 HIS 539 2HD HIS 539 1.492 9.913 3.037 125 HE1 HIS 539 1HE HIS 539 0.766 14.061 3.898 126 HE2 HIS 539 2HE HIS 539 0.029 11.632 4.448 127 HB2 HIS 539 1HB HIS 539 2.965 11.732 0.219 128 HB3 HIS 539 2HB HIS 539 3.067 10.171 1.006 129 H ALA 540 H ALA 540 5.193 9.016 1.146 130 HA ALA 540 HA ALA 540 5.352 8.241 3.915 131 HB1 ALA 540 1HB ALA 540 6.536 6.916 1.513 132 HB2 ALA 540 2HB ALA 540 6.184 6.120 3.093 133 HB3 ALA 540 3HB ALA 540 4.867 6.708 2.020 134 H GLU 541 H GLU 541 7.899 9.557 1.745 135 HA GLU 541 HA GLU 541 9.975 9.110 3.682 136 HB2 GLU 541 1HB GLU 541 9.709 10.430 1.084 137 HB3 GLU 541 2HB GLU 541 10.539 11.513 2.175 138 HG2 GLU 541 1HG GLU 541 11.692 8.895 2.613 139 HG3 GLU 541 2HG GLU 541 11.488 9.137 0.885 140 H GLU 542 H GLU 542 8.099 12.047 2.885 141 HA GLU 542 HA GLU 542 9.115 13.740 4.806 142 HB2 GLU 542 1HB GLU 542 7.547 14.281 2.897 143 HB3 GLU 542 2HB GLU 542 6.222 13.589 3.836 144 HG2 GLU 542 1HG GLU 542 7.092 15.340 5.694 145 HG3 GLU 542 2HG GLU 542 7.773 16.101 4.250 146 H THR 543 H THR 543 6.198 11.772 5.088 147 HA THR 543 HA THR 543 5.847 12.295 7.973 148 HB THR 543 HB THR 543 3.878 10.890 7.726 149 HG1 THR 543 1HG THR 543 4.701 10.475 5.068 150 HG21 THR 543 3HG2 THR 543 4.038 12.617 5.218 151 HG22 THR 543 1HG2 THR 543 2.605 12.282 6.222 152 HG23 THR 543 2HG2 THR 543 3.893 13.281 6.857 153 H ARG 544 H ARG 544 7.873 10.172 6.250 154 HA ARG 544 HA ARG 544 8.977 8.322 6.643 155 HE ARG 544 HE ARG 544 12.767 11.476 8.600 156 HB2 ARG 544 1HB ARG 544 8.848 9.645 9.309 157 HB3 ARG 544 2HB ARG 544 9.359 7.991 9.318 158 HG2 ARG 544 1HG ARG 544 11.391 8.908 8.945 159 HG3 ARG 544 2HG ARG 544 10.931 8.766 7.276 160 HD2 ARG 544 1HD ARG 544 11.243 10.980 7.037 161 HD3 ARG 544 2HD ARG 544 9.909 11.310 8.124 162 HH11 ARG 544 2HH2 ARG 544 9.677 11.110 10.324 163 HH12 ARG 544 1HH2 ARG 544 10.292 11.755 11.814 164 HH21 ARG 544 2HH1 ARG 544 13.574 12.196 10.510 165 HH22 ARG 544 1HH1 ARG 544 12.568 12.472 11.904 166 H LYS 545 H LYS 545 5.961 8.156 6.653 167 HA LYS 545 HA LYS 545 5.204 6.045 8.457 168 HB2 LYS 545 1HB LYS 545 3.856 7.491 6.151 169 HB3 LYS 545 2HB LYS 545 3.084 6.093 6.909 170 HG2 LYS 545 1HG LYS 545 3.109 7.097 9.081 171 HG3 LYS 545 2HG LYS 545 4.104 8.451 8.541 172 HD2 LYS 545 1HD LYS 545 2.271 9.291 7.133 173 HD3 LYS 545 2HD LYS 545 1.249 7.937 7.616 174 HE2 LYS 545 1HE LYS 545 1.478 8.600 10.007 175 HE3 LYS 545 2HE LYS 545 2.624 9.864 9.576 176 HZ1 LYS 545 3HZ LYS 545 0.363 10.654 10.005 177 HZ2 LYS 545 1HZ LYS 545 0.899 11.108 8.536 178 HZ3 LYS 545 2HZ LYS 545 -0.185 9.877 8.667 179 H LEU 546 H LEU 546 4.221 4.028 7.819 180 HA LEU 546 HA LEU 546 6.061 2.514 6.214 181 HG LEU 546 HG LEU 546 4.379 0.010 5.874 182 HB2 LEU 546 1HB LEU 546 4.994 1.693 8.337 183 HB3 LEU 546 2HB LEU 546 3.435 1.688 7.525 184 HD11 LEU 546 1HD1 LEU 546 6.480 -1.204 6.650 185 HD12 LEU 546 2HD1 LEU 546 6.751 0.419 6.064 186 HD13 LEU 546 3HD1 LEU 546 6.735 0.090 7.815 187 HD21 LEU 546 3HD2 LEU 546 3.420 -0.462 8.501 188 HD22 LEU 546 1HD2 LEU 546 3.476 -1.584 7.132 189 HD23 LEU 546 2HD2 LEU 546 4.803 -1.554 8.283 190 H MET 547 H MET 547 5.844 1.827 4.126 191 HA MET 547 HA MET 547 3.158 1.999 2.839 192 HB2 MET 547 1HB MET 547 4.620 3.830 2.153 193 HB3 MET 547 2HB MET 547 5.817 2.680 1.561 194 HG2 MET 547 1HG MET 547 4.621 2.112 -0.276 195 HG3 MET 547 2HG MET 547 3.047 2.286 0.504 196 HE1 MET 547 3HE MET 547 5.183 3.530 -2.174 197 HE2 MET 547 1HE MET 547 3.458 3.235 -2.523 198 HE3 MET 547 2HE MET 547 4.159 4.858 -2.757 199 HA PRO 548 HA PRO 548 4.499 -2.265 2.125 200 HB2 PRO 548 1HB PRO 548 2.081 -3.358 1.410 201 HB3 PRO 548 2HB PRO 548 2.507 -2.971 3.101 202 HG2 PRO 548 1HG PRO 548 0.987 -1.247 1.124 203 HG3 PRO 548 2HG PRO 548 0.476 -1.709 2.789 204 HD2 PRO 548 1HD PRO 548 1.681 0.660 2.254 205 HD3 PRO 548 2HD PRO 548 2.112 -0.242 3.733 206 H ILE 549 H ILE 549 4.816 -3.611 0.257 207 HA ILE 549 HA ILE 549 3.965 -2.582 -2.408 208 HB ILE 549 HB ILE 549 6.855 -3.031 -1.471 209 HG12 ILE 549 1HG1 ILE 549 6.896 -0.727 -2.836 210 HG13 ILE 549 2HG1 ILE 549 5.214 -0.650 -2.288 211 HG21 ILE 549 1HG2 ILE 549 5.922 -2.695 -4.355 212 HG22 ILE 549 2HG2 ILE 549 7.594 -2.839 -3.744 213 HG23 ILE 549 3HG2 ILE 549 6.553 -4.200 -3.653 214 HD11 ILE 549 3HD1 ILE 549 7.813 -0.693 -0.803 215 HD12 ILE 549 1HD1 ILE 549 6.358 0.379 -0.624 216 HD13 ILE 549 2HD1 ILE 549 6.362 -1.259 0.022 217 H CYS 550 H CYS 550 3.507 -4.311 -3.818 218 HA CYS 550 HA CYS 550 3.961 -7.018 -2.781 219 HG CYS 550 HG CYS 550 2.413 -8.336 -2.873 220 HB2 CYS 550 1HB CYS 550 1.888 -6.025 -4.210 221 HB3 CYS 550 2HB CYS 550 2.917 -6.519 -5.554 222 H MET 551 H MET 551 5.839 -8.031 -3.240 223 HA MET 551 HA MET 551 7.918 -7.113 -4.926 224 HB2 MET 551 1HB MET 551 7.199 -9.923 -3.969 225 HB3 MET 551 2HB MET 551 8.686 -9.526 -4.832 226 HG2 MET 551 1HG MET 551 8.923 -7.701 -2.927 227 HG3 MET 551 2HG MET 551 7.872 -8.813 -2.043 228 HE1 MET 551 3HE MET 551 11.366 -9.523 -0.519 229 HE2 MET 551 1HE MET 551 10.636 -7.975 -1.010 230 HE3 MET 551 2HE MET 551 9.640 -9.183 -0.212 231 H ASP 552 H ASP 552 4.970 -8.579 -5.777 232 HA ASP 552 HA ASP 552 5.669 -9.878 -8.250 233 HB2 ASP 552 1HB ASP 552 3.600 -10.336 -6.943 234 HB3 ASP 552 2HB ASP 552 3.091 -8.664 -7.129 235 H VAL 553 H VAL 553 4.823 -6.518 -7.339 236 HA VAL 553 HA VAL 553 4.433 -5.844 -10.176 237 HB VAL 553 HB VAL 553 4.108 -4.029 -7.760 238 HG11 VAL 553 1HG1 VAL 553 4.406 -2.827 -9.914 239 HG12 VAL 553 2HG1 VAL 553 3.181 -3.851 -10.672 240 HG13 VAL 553 3HG1 VAL 553 2.711 -2.724 -9.399 241 HG21 VAL 553 3HG2 VAL 553 1.671 -4.433 -8.112 242 HG22 VAL 553 1HG2 VAL 553 2.066 -5.686 -9.317 243 HG23 VAL 553 2HG2 VAL 553 2.502 -5.909 -7.618 244 H ARG 554 H ARG 554 6.486 -6.537 -10.607 245 HA ARG 554 HA ARG 554 8.873 -5.409 -9.846 246 HE ARG 554 HE ARG 554 9.318 -7.029 -15.282 247 HB2 ARG 554 1HB ARG 554 9.806 -6.027 -11.999 248 HB3 ARG 554 2HB ARG 554 8.887 -7.276 -11.150 249 HG2 ARG 554 1HG ARG 554 6.925 -6.700 -12.746 250 HG3 ARG 554 2HG ARG 554 8.119 -5.765 -13.668 251 HD2 ARG 554 1HD ARG 554 9.423 -8.188 -13.104 252 HD3 ARG 554 2HD ARG 554 7.762 -8.700 -13.341 253 HH11 ARG 554 2HH2 ARG 554 6.842 -9.557 -14.906 254 HH12 ARG 554 1HH2 ARG 554 7.007 -10.135 -16.528 255 HH21 ARG 554 2HH1 ARG 554 9.697 -7.962 -17.342 256 HH22 ARG 554 1HH1 ARG 554 8.623 -9.149 -17.982 257 H ALA 555 H ALA 555 6.489 -3.923 -12.034 258 HA ALA 555 HA ALA 555 8.120 -1.801 -12.944 259 HB1 ALA 555 1HB ALA 555 5.968 -0.645 -13.408 260 HB2 ALA 555 2HB ALA 555 5.908 -2.354 -13.880 261 HB3 ALA 555 3HB ALA 555 5.115 -1.823 -12.385 262 H ILE 556 H ILE 556 6.458 -2.219 -9.838 263 HA ILE 556 HA ILE 556 6.881 0.606 -9.013 264 HB ILE 556 HB ILE 556 5.382 -1.766 -7.839 265 HG12 ILE 556 1HG1 ILE 556 4.546 1.030 -8.765 266 HG13 ILE 556 2HG1 ILE 556 4.302 -0.458 -9.672 267 HG21 ILE 556 1HG2 ILE 556 4.673 -0.185 -5.997 268 HG22 ILE 556 2HG2 ILE 556 6.306 -0.756 -5.917 269 HG23 ILE 556 3HG2 ILE 556 5.985 0.895 -6.500 270 HD11 ILE 556 3HD1 ILE 556 2.882 -1.260 -7.654 271 HD12 ILE 556 1HD1 ILE 556 2.886 0.446 -7.159 272 HD13 ILE 556 2HD1 ILE 556 2.208 -0.008 -8.722 273 H MET 557 H MET 557 8.082 -2.725 -8.306 274 HA MET 557 HA MET 557 9.975 -2.127 -6.315 275 HB2 MET 557 1HB MET 557 10.158 -4.076 -8.660 276 HB3 MET 557 2HB MET 557 11.260 -4.060 -7.298 277 HG2 MET 557 1HG MET 557 8.382 -4.171 -6.533 278 HG3 MET 557 2HG MET 557 8.958 -5.543 -7.463 279 HE1 MET 557 3HE MET 557 9.664 -3.359 -4.289 280 HE2 MET 557 1HE MET 557 10.837 -4.368 -3.414 281 HE3 MET 557 2HE MET 557 11.329 -3.526 -4.899 282 H ALA 558 H ALA 558 10.645 -2.023 -9.873 283 HA ALA 558 HA ALA 558 13.254 -1.012 -9.436 284 HB1 ALA 558 1HB ALA 558 13.098 -0.268 -11.846 285 HB2 ALA 558 2HB ALA 558 12.735 -1.975 -11.551 286 HB3 ALA 558 3HB ALA 558 11.406 -0.831 -11.816 287 H THR 559 H THR 559 10.137 0.763 -9.604 288 HA THR 559 HA THR 559 11.359 3.353 -9.865 289 HB THR 559 HB THR 559 8.666 2.230 -9.129 290 HG1 THR 559 1HG THR 559 9.691 3.150 -11.306 291 HG21 THR 559 3HG2 THR 559 9.442 5.106 -8.588 292 HG22 THR 559 1HG2 THR 559 7.752 4.523 -8.759 293 HG23 THR 559 2HG2 THR 559 8.780 3.906 -7.453 294 H ILE 560 H ILE 560 10.996 1.144 -7.110 295 HA ILE 560 HA ILE 560 11.659 3.327 -5.190 296 HB ILE 560 HB ILE 560 11.000 0.366 -4.842 297 HG12 ILE 560 1HG1 ILE 560 9.565 3.039 -4.476 298 HG13 ILE 560 2HG1 ILE 560 9.079 1.700 -5.512 299 HG21 ILE 560 1HG2 ILE 560 11.064 0.758 -2.477 300 HG22 ILE 560 2HG2 ILE 560 12.626 1.260 -3.090 301 HG23 ILE 560 3HG2 ILE 560 11.362 2.463 -2.593 302 HD11 ILE 560 3HD1 ILE 560 7.610 1.405 -3.811 303 HD12 ILE 560 1HD1 ILE 560 8.944 0.387 -3.202 304 HD13 ILE 560 2HD1 ILE 560 8.738 2.009 -2.578 305 H GLN 561 H GLN 561 13.127 0.289 -6.587 306 HA GLN 561 HA GLN 561 15.535 0.611 -5.101 307 HB2 GLN 561 1HB GLN 561 14.901 -0.900 -7.662 308 HB3 GLN 561 2HB GLN 561 16.520 -0.827 -6.952 309 HG2 GLN 561 1HG GLN 561 15.593 -1.682 -4.786 310 HG3 GLN 561 2HG GLN 561 14.041 -1.942 -5.583 311 HE21 GLN 561 1HE2 GLN 561 13.802 -4.115 -6.359 312 HE22 GLN 561 2HE2 GLN 561 15.172 -5.155 -6.641 313 H ARG 562 H ARG 562 14.568 1.926 -8.309 314 HA ARG 562 HA ARG 562 17.021 2.985 -9.097 315 HE ARG 562 HE ARG 562 11.970 6.069 -9.168 316 HB2 ARG 562 1HB ARG 562 15.862 4.494 -10.481 317 HB3 ARG 562 2HB ARG 562 14.894 3.004 -10.408 318 HG2 ARG 562 1HG ARG 562 13.422 3.981 -8.810 319 HG3 ARG 562 2HG ARG 562 14.273 5.516 -8.827 320 HD2 ARG 562 1HD ARG 562 13.832 5.686 -11.272 321 HD3 ARG 562 2HD ARG 562 12.815 4.237 -11.132 322 HH11 ARG 562 2HH2 ARG 562 11.915 5.861 -12.724 323 HH12 ARG 562 1HH2 ARG 562 10.697 7.084 -12.906 324 HH21 ARG 562 2HH1 ARG 562 10.396 7.788 -9.447 325 HH22 ARG 562 1HH1 ARG 562 9.979 8.264 -11.028 326 H LYS 563 H LYS 563 14.651 4.397 -6.820 327 HA LYS 563 HA LYS 563 16.393 6.661 -6.189 328 HB2 LYS 563 1HB LYS 563 13.560 5.858 -5.864 329 HB3 LYS 563 2HB LYS 563 14.192 6.457 -4.361 330 HG2 LYS 563 1HG LYS 563 15.050 8.500 -5.693 331 HG3 LYS 563 2HG LYS 563 14.210 7.835 -7.093 332 HD2 LYS 563 1HD LYS 563 12.750 9.472 -6.164 333 HD3 LYS 563 2HD LYS 563 12.064 7.891 -5.795 334 HE2 LYS 563 1HE LYS 563 11.857 9.247 -3.830 335 HE3 LYS 563 2HE LYS 563 13.071 8.019 -3.498 336 HZ1 LYS 563 3HZ LYS 563 13.768 10.750 -4.344 337 HZ2 LYS 563 1HZ LYS 563 13.569 10.353 -2.782 338 HZ3 LYS 563 2HZ LYS 563 14.767 9.631 -3.659 339 H TYR 564 H TYR 564 14.985 4.026 -4.210 340 HA TYR 564 HA TYR 564 16.966 4.620 -2.111 341 HD1 TYR 564 2HD TYR 564 12.850 4.257 -3.086 342 HD2 TYR 564 1HD TYR 564 15.087 5.796 0.255 343 HE1 TYR 564 2HE TYR 564 11.273 6.145 -2.917 344 HE2 TYR 564 1HE TYR 564 13.634 7.778 0.307 345 HH TYR 564 HH TYR 564 11.603 8.697 -0.499 346 HB2 TYR 564 1HB TYR 564 14.414 2.887 -1.820 347 HB3 TYR 564 2HB TYR 564 15.436 3.519 -0.608 348 H LYS 565 H LYS 565 18.728 3.621 -3.406 349 HA LYS 565 HA LYS 565 18.419 0.776 -3.953 350 HB2 LYS 565 1HB LYS 565 19.251 2.761 -5.536 351 HB3 LYS 565 2HB LYS 565 20.814 2.410 -4.815 352 HG2 LYS 565 1HG LYS 565 20.840 0.166 -5.627 353 HG3 LYS 565 2HG LYS 565 19.085 0.202 -5.926 354 HD2 LYS 565 1HD LYS 565 19.307 1.745 -7.713 355 HD3 LYS 565 2HD LYS 565 21.044 1.983 -7.421 356 HE2 LYS 565 1HE LYS 565 21.620 -0.101 -8.305 357 HE3 LYS 565 2HE LYS 565 20.006 -0.788 -8.061 358 HZ1 LYS 565 3HZ LYS 565 19.234 0.127 -9.925 359 HZ2 LYS 565 1HZ LYS 565 20.172 1.468 -9.873 360 HZ3 LYS 565 2HZ LYS 565 20.817 0.034 -10.402 361 H GLY 566 H GLY 566 20.027 2.662 -1.509 362 HA2 GLY 566 1HA GLY 566 22.219 0.850 -1.010 363 HA3 GLY 566 2HA GLY 566 21.467 1.956 0.164 364 H ILE 567 H ILE 567 18.829 1.085 0.075 365 HA ILE 567 HA ILE 567 18.743 -1.248 1.666 366 HB ILE 567 HB ILE 567 17.101 0.474 1.726 367 HG12 ILE 567 1HG1 ILE 567 16.544 -2.025 2.206 368 HG13 ILE 567 2HG1 ILE 567 15.424 -0.679 2.342 369 HG21 ILE 567 1HG2 ILE 567 15.272 0.760 0.013 370 HG22 ILE 567 2HG2 ILE 567 16.876 1.264 -0.534 371 HG23 ILE 567 3HG2 ILE 567 16.186 -0.276 -1.080 372 HD11 ILE 567 3HD1 ILE 567 15.497 -2.296 -0.223 373 HD12 ILE 567 1HD1 ILE 567 14.501 -2.720 1.197 374 HD13 ILE 567 2HD1 ILE 567 14.267 -1.171 0.379 375 H LYS 568 H LYS 568 17.527 -3.281 1.168 376 HA LYS 568 HA LYS 568 18.080 -4.377 -1.455 377 HB2 LYS 568 1HB LYS 568 18.674 -6.332 0.181 378 HB3 LYS 568 2HB LYS 568 19.869 -5.285 -0.606 379 HG2 LYS 568 1HG LYS 568 19.591 -4.005 1.833 380 HG3 LYS 568 2HG LYS 568 19.137 -5.644 2.272 381 HD2 LYS 568 1HD LYS 568 21.340 -5.942 2.530 382 HD3 LYS 568 2HD LYS 568 21.388 -6.126 0.774 383 HE2 LYS 568 1HE LYS 568 21.566 -3.322 1.897 384 HE3 LYS 568 2HE LYS 568 22.946 -4.384 2.188 385 HZ1 LYS 568 3HZ LYS 568 21.896 -3.718 -0.487 386 HZ2 LYS 568 1HZ LYS 568 23.223 -3.098 0.222 387 HZ3 LYS 568 2HZ LYS 568 23.187 -4.701 -0.158 388 H ILE 569 H ILE 569 16.370 -5.894 -1.867 389 HA ILE 569 HA ILE 569 13.895 -5.240 -0.371 390 HB ILE 569 HB ILE 569 14.539 -7.000 -2.829 391 HG12 ILE 569 1HG1 ILE 569 15.246 -4.847 -3.491 392 HG13 ILE 569 2HG1 ILE 569 13.652 -5.074 -4.179 393 HG21 ILE 569 1HG2 ILE 569 11.873 -5.936 -1.877 394 HG22 ILE 569 2HG2 ILE 569 12.169 -6.668 -3.469 395 HG23 ILE 569 3HG2 ILE 569 12.437 -7.631 -2.027 396 HD11 ILE 569 3HD1 ILE 569 12.664 -3.636 -2.489 397 HD12 ILE 569 1HD1 ILE 569 14.229 -3.448 -1.667 398 HD13 ILE 569 2HD1 ILE 569 13.987 -2.791 -3.289 399 H GLN 570 H GLN 570 12.709 -6.727 0.781 400 HA GLN 570 HA GLN 570 13.803 -9.309 1.478 401 HB2 GLN 570 1HB GLN 570 14.534 -8.669 3.685 402 HB3 GLN 570 2HB GLN 570 15.161 -7.445 2.646 403 HG2 GLN 570 1HG GLN 570 12.848 -6.205 3.308 404 HG3 GLN 570 2HG GLN 570 13.016 -7.226 4.724 405 HE21 GLN 570 1HE2 GLN 570 15.235 -5.150 2.640 406 HE22 GLN 570 2HE2 GLN 570 15.978 -4.381 3.999 407 H GLU 571 H GLU 571 12.024 -10.646 2.354 408 HA GLU 571 HA GLU 571 9.425 -9.458 1.848 409 HB2 GLU 571 1HB GLU 571 10.687 -12.184 2.109 410 HB3 GLU 571 2HB GLU 571 9.064 -12.019 2.708 411 HG2 GLU 571 1HG GLU 571 8.334 -11.146 0.466 412 HG3 GLU 571 2HG GLU 571 9.972 -11.516 -0.114 413 H GLY 572 H GLY 572 9.544 -7.913 3.577 414 HA2 GLY 572 1HA GLY 572 8.721 -8.534 6.200 415 HA3 GLY 572 2HA GLY 572 10.498 -8.525 6.116 416 H ILE 573 H ILE 573 9.958 -6.647 7.640 417 HA ILE 573 HA ILE 573 9.136 -4.131 6.309 418 HB ILE 573 HB ILE 573 10.064 -4.803 9.135 419 HG12 ILE 573 1HG1 ILE 573 7.752 -5.624 8.395 420 HG13 ILE 573 2HG1 ILE 573 7.832 -4.699 9.855 421 HG21 ILE 573 1HG2 ILE 573 9.183 -2.099 8.058 422 HG22 ILE 573 2HG2 ILE 573 9.286 -2.516 9.784 423 HG23 ILE 573 3HG2 ILE 573 10.740 -2.538 8.782 424 HD11 ILE 573 3HD1 ILE 573 7.076 -3.454 7.205 425 HD12 ILE 573 1HD1 ILE 573 5.905 -4.104 8.373 426 HD13 ILE 573 2HD1 ILE 573 6.928 -2.723 8.812 427 H VAL 574 H VAL 574 10.404 -2.500 5.849 428 HA VAL 574 HA VAL 574 13.294 -2.924 5.914 429 HB VAL 574 HB VAL 574 13.309 -3.131 3.767 430 HG11 VAL 574 1HG1 VAL 574 11.600 -4.116 3.032 431 HG12 VAL 574 2HG1 VAL 574 10.404 -2.935 3.642 432 HG13 VAL 574 3HG1 VAL 574 11.350 -2.574 2.229 433 HG21 VAL 574 3HG2 VAL 574 13.163 -1.191 2.328 434 HG22 VAL 574 1HG2 VAL 574 12.391 -0.296 3.651 435 HG23 VAL 574 2HG2 VAL 574 14.025 -0.901 3.850 436 H ASP 575 H ASP 575 14.321 -1.008 6.510 437 HA ASP 575 HA ASP 575 12.661 1.440 7.104 438 HB2 ASP 575 1HB ASP 575 12.848 0.035 9.150 439 HB3 ASP 575 2HB ASP 575 14.618 0.029 8.982 440 H TYR 576 H TYR 576 13.550 2.300 5.144 441 HA TYR 576 HA TYR 576 16.283 3.383 5.577 442 HD1 TYR 576 1HD TYR 576 18.927 2.757 4.378 443 HD2 TYR 576 2HD TYR 576 15.912 2.764 1.289 444 HE1 TYR 576 1HE TYR 576 20.594 3.680 2.824 445 HE2 TYR 576 2HE TYR 576 17.627 3.686 -0.254 446 HH TYR 576 HH TYR 576 20.757 4.803 0.605 447 HB2 TYR 576 1HB TYR 576 16.808 1.325 4.523 448 HB3 TYR 576 2HB TYR 576 15.565 1.531 3.295 449 H GLY 577 H GLY 577 15.673 5.454 5.546 450 HA2 GLY 577 1HA GLY 577 15.169 7.504 4.581 451 HA3 GLY 577 2HA GLY 577 14.809 6.726 3.051 452 H VAL 578 H VAL 578 12.874 5.240 3.133 453 HA VAL 578 HA VAL 578 10.670 6.135 4.768 454 HB VAL 578 HB VAL 578 10.111 6.759 2.842 455 HG11 VAL 578 1HG1 VAL 578 11.460 7.099 1.485 456 HG12 VAL 578 2HG1 VAL 578 11.937 5.521 1.176 457 HG13 VAL 578 3HG1 VAL 578 10.414 6.092 0.505 458 HG21 VAL 578 3HG2 VAL 578 9.108 3.969 2.427 459 HG22 VAL 578 1HG2 VAL 578 8.360 5.312 3.304 460 HG23 VAL 578 2HG2 VAL 578 8.605 5.480 1.558 461 H ARG 579 H ARG 579 9.237 4.594 5.461 462 HA ARG 579 HA ARG 579 10.459 2.032 6.250 463 HE ARG 579 HE ARG 579 8.064 2.339 11.417 464 HB2 ARG 579 1HB ARG 579 8.134 3.744 7.145 465 HB3 ARG 579 2HB ARG 579 7.978 1.989 7.302 466 HG2 ARG 579 1HG ARG 579 9.811 1.765 8.735 467 HG3 ARG 579 2HG ARG 579 10.405 3.387 8.386 468 HD2 ARG 579 1HD ARG 579 8.866 4.425 9.811 469 HD3 ARG 579 2HD ARG 579 7.620 3.250 9.452 470 HH11 ARG 579 2HH2 ARG 579 11.318 3.363 10.238 471 HH12 ARG 579 1HH2 ARG 579 12.169 2.443 11.388 472 HH21 ARG 579 2HH1 ARG 579 9.139 1.347 13.016 473 HH22 ARG 579 1HH1 ARG 579 10.850 1.075 12.988 474 H PHE 580 H PHE 580 10.169 0.352 4.883 475 HA PHE 580 HA PHE 580 7.732 0.424 3.134 476 HD1 PHE 580 1HD PHE 580 7.970 1.015 0.450 477 HD2 PHE 580 2HD PHE 580 11.618 1.587 2.619 478 HE1 PHE 580 1HE PHE 580 8.475 3.063 -0.784 479 HE2 PHE 580 2HE PHE 580 11.938 3.702 1.541 480 HZ PHE 580 HZ PHE 580 10.591 4.288 -0.449 481 HB2 PHE 580 1HB PHE 580 10.474 -0.624 2.641 482 HB3 PHE 580 2HB PHE 580 9.147 -1.012 1.568 483 H PHE 581 H PHE 581 6.855 -1.767 2.548 484 HA PHE 581 HA PHE 581 7.646 -4.003 4.297 485 HD1 PHE 581 1HD PHE 581 7.104 -5.488 5.786 486 HD2 PHE 581 2HD PHE 581 3.029 -4.419 4.904 487 HE1 PHE 581 1HE PHE 581 6.341 -7.560 6.850 488 HE2 PHE 581 2HE PHE 581 2.254 -6.540 5.937 489 HZ PHE 581 HZ PHE 581 3.912 -8.129 6.906 490 HB2 PHE 581 1HB PHE 581 5.778 -2.822 5.478 491 HB3 PHE 581 2HB PHE 581 4.757 -3.046 4.092 492 H PHE 582 H PHE 582 8.488 -5.104 2.525 493 HA PHE 582 HA PHE 582 6.928 -5.332 0.070 494 HD1 PHE 582 1HD PHE 582 8.372 -4.396 -1.732 495 HD2 PHE 582 2HD PHE 582 11.284 -5.397 1.259 496 HE1 PHE 582 1HE PHE 582 9.521 -2.185 -2.091 497 HE2 PHE 582 2HE PHE 582 12.611 -3.460 0.614 498 HZ PHE 582 HZ PHE 582 11.657 -1.713 -0.827 499 HB2 PHE 582 1HB PHE 582 9.381 -6.841 0.910 500 HB3 PHE 582 2HB PHE 582 8.682 -6.852 -0.675 501 H TYR 583 H TYR 583 5.509 -6.956 -0.368 502 HA TYR 583 HA TYR 583 5.457 -9.412 1.269 503 HD1 TYR 583 1HD TYR 583 3.460 -5.636 0.910 504 HD2 TYR 583 2HD TYR 583 1.550 -9.309 -0.283 505 HE1 TYR 583 1HE TYR 583 1.978 -4.374 -0.619 506 HE2 TYR 583 2HE TYR 583 0.152 -8.072 -1.902 507 HH TYR 583 HH TYR 583 0.065 -5.966 -3.092 508 HB2 TYR 583 1HB TYR 583 3.093 -9.270 1.606 509 HB3 TYR 583 2HB TYR 583 3.779 -7.772 2.206 510 H THR 584 H THR 584 3.702 -10.910 0.148 511 HA THR 584 HA THR 584 4.324 -10.989 -2.729 512 HB THR 584 HB THR 584 4.005 -13.551 -2.011 513 HG1 THR 584 1HG THR 584 3.779 -13.726 0.102 514 HG21 THR 584 3HG2 THR 584 6.461 -13.594 -1.518 515 HG22 THR 584 1HG2 THR 584 6.088 -12.573 -2.912 516 HG23 THR 584 2HG2 THR 584 6.456 -11.829 -1.341 517 H SER 585 H SER 585 2.651 -11.392 -4.207 518 HA SER 585 HA SER 585 0.002 -10.770 -3.349 519 HG SER 585 HG SER 585 0.600 -12.989 -6.204 520 HB2 SER 585 1HB SER 585 -0.560 -11.283 -5.692 521 HB3 SER 585 2HB SER 585 0.890 -10.270 -5.599 522 H LYS 586 H LYS 586 1.789 -13.733 -3.612 523 HA LYS 586 HA LYS 586 -0.266 -15.594 -4.011 524 HB2 LYS 586 1HB LYS 586 2.432 -15.848 -2.678 525 HB3 LYS 586 2HB LYS 586 1.441 -17.226 -3.113 526 HG2 LYS 586 1HG LYS 586 2.090 -15.214 -5.301 527 HG3 LYS 586 2HG LYS 586 3.357 -16.235 -4.679 528 HD2 LYS 586 1HD LYS 586 2.538 -17.270 -6.601 529 HD3 LYS 586 2HD LYS 586 2.050 -18.267 -5.251 530 HE2 LYS 586 1HE LYS 586 0.149 -16.224 -6.496 531 HE3 LYS 586 2HE LYS 586 0.443 -17.786 -7.244 532 HZ1 LYS 586 3HZ LYS 586 -1.276 -18.317 -6.038 533 HZ2 LYS 586 1HZ LYS 586 -0.172 -18.673 -4.879 534 HZ3 LYS 586 2HZ LYS 586 -1.052 -17.278 -4.808 535 H GLU 587 H GLU 587 0.719 -13.868 -1.083 536 HA GLU 587 HA GLU 587 -0.471 -15.727 0.719 537 HB2 GLU 587 1HB GLU 587 0.673 -12.970 0.850 538 HB3 GLU 587 2HB GLU 587 -0.595 -13.294 2.039 539 HG2 GLU 587 1HG GLU 587 1.639 -13.913 2.895 540 HG3 GLU 587 2HG GLU 587 0.496 -15.225 2.874 541 HA PRO 588 HA PRO 588 -4.795 -14.792 0.272 542 HB2 PRO 588 1HB PRO 588 -5.196 -14.731 3.203 543 HB3 PRO 588 2HB PRO 588 -5.802 -15.926 2.029 544 HG2 PRO 588 1HG PRO 588 -3.829 -16.500 3.893 545 HG3 PRO 588 2HG PRO 588 -3.927 -17.272 2.282 546 HD2 PRO 588 1HD PRO 588 -2.212 -14.930 3.129 547 HD3 PRO 588 2HD PRO 588 -1.721 -16.357 2.207 548 H VAL 589 H VAL 589 -5.689 -12.701 -0.020 549 HA VAL 589 HA VAL 589 -4.674 -10.352 1.154 550 HB VAL 589 HB VAL 589 -7.622 -10.846 0.550 551 HG11 VAL 589 1HG1 VAL 589 -7.194 -8.765 1.823 552 HG12 VAL 589 2HG1 VAL 589 -5.942 -8.277 0.667 553 HG13 VAL 589 3HG1 VAL 589 -7.649 -8.385 0.163 554 HG21 VAL 589 3HG2 VAL 589 -6.226 -11.308 -1.471 555 HG22 VAL 589 1HG2 VAL 589 -7.200 -9.857 -1.653 556 HG23 VAL 589 2HG2 VAL 589 -5.480 -9.703 -1.263 557 H ALA 590 H ALA 590 -7.083 -12.665 2.524 558 HA ALA 590 HA ALA 590 -7.853 -11.268 4.773 559 HB1 ALA 590 1HB ALA 590 -7.332 -14.261 4.483 560 HB2 ALA 590 2HB ALA 590 -8.282 -13.507 5.776 561 HB3 ALA 590 3HB ALA 590 -8.842 -13.409 4.104 562 H SER 591 H SER 591 -4.851 -13.220 4.450 563 HA SER 591 HA SER 591 -4.211 -12.820 7.290 564 HG SER 591 HG SER 591 -2.419 -15.531 7.287 565 HB2 SER 591 1HB SER 591 -3.882 -14.983 5.966 566 HB3 SER 591 2HB SER 591 -2.546 -14.175 5.132 567 H ILE 592 H ILE 592 -2.855 -11.798 4.043 568 HA ILE 592 HA ILE 592 -0.880 -10.225 5.161 569 HB ILE 592 HB ILE 592 -1.818 -10.962 2.624 570 HG12 ILE 592 1HG1 ILE 592 0.476 -11.016 3.430 571 HG13 ILE 592 2HG1 ILE 592 0.360 -10.201 1.872 572 HG21 ILE 592 1HG2 ILE 592 -1.712 -7.951 2.694 573 HG22 ILE 592 2HG2 ILE 592 -1.718 -8.972 1.249 574 HG23 ILE 592 3HG2 ILE 592 -3.128 -8.954 2.335 575 HD11 ILE 592 3HD1 ILE 592 1.864 -9.067 3.568 576 HD12 ILE 592 1HD1 ILE 592 0.574 -8.033 2.900 577 HD13 ILE 592 2HD1 ILE 592 0.425 -8.701 4.529 578 H ILE 593 H ILE 593 -4.327 -9.521 4.760 579 HA ILE 593 HA ILE 593 -4.176 -6.830 5.590 580 HB ILE 593 HB ILE 593 -6.333 -8.931 5.460 581 HG12 ILE 593 1HG1 ILE 593 -5.910 -6.065 4.498 582 HG13 ILE 593 2HG1 ILE 593 -5.800 -7.545 3.547 583 HG21 ILE 593 1HG2 ILE 593 -6.768 -6.413 7.049 584 HG22 ILE 593 2HG2 ILE 593 -8.034 -7.540 6.518 585 HG23 ILE 593 3HG2 ILE 593 -6.845 -8.063 7.684 586 HD11 ILE 593 3HD1 ILE 593 -8.273 -7.904 3.946 587 HD12 ILE 593 1HD1 ILE 593 -8.309 -6.258 4.638 588 HD13 ILE 593 2HD1 ILE 593 -7.841 -6.497 2.950 589 H THR 594 H THR 594 -5.049 -9.634 7.780 590 HA THR 594 HA THR 594 -4.813 -8.641 10.150 591 HB THR 594 HB THR 594 -3.260 -11.129 9.349 592 HG1 THR 594 1HG THR 594 -5.083 -12.178 9.324 593 HG21 THR 594 3HG2 THR 594 -2.971 -10.590 11.701 594 HG22 THR 594 1HG2 THR 594 -4.708 -10.283 11.890 595 HG23 THR 594 2HG2 THR 594 -4.114 -11.929 11.553 596 H LYS 595 H LYS 595 -1.753 -9.245 8.258 597 HA LYS 595 HA LYS 595 0.008 -8.452 10.366 598 HB2 LYS 595 1HB LYS 595 0.168 -8.551 7.329 599 HB3 LYS 595 2HB LYS 595 1.523 -8.022 8.317 600 HG2 LYS 595 1HG LYS 595 1.972 -10.085 9.157 601 HG3 LYS 595 2HG LYS 595 0.281 -10.602 9.191 602 HD2 LYS 595 1HD LYS 595 0.247 -10.912 6.795 603 HD3 LYS 595 2HD LYS 595 1.929 -10.369 6.644 604 HE2 LYS 595 1HE LYS 595 0.894 -12.827 8.125 605 HE3 LYS 595 2HE LYS 595 1.721 -12.827 6.562 606 HZ1 LYS 595 3HZ LYS 595 3.724 -12.021 7.680 607 HZ2 LYS 595 1HZ LYS 595 2.934 -11.997 9.130 608 HZ3 LYS 595 2HZ LYS 595 3.207 -13.400 8.363 609 H LEU 596 H LEU 596 -1.527 -6.533 7.724 610 HA LEU 596 HA LEU 596 -0.277 -4.042 8.575 611 HG LEU 596 HG LEU 596 -0.836 -5.374 5.745 612 HB2 LEU 596 1HB LEU 596 -2.815 -4.553 6.980 613 HB3 LEU 596 2HB LEU 596 -2.051 -2.981 7.198 614 HD11 LEU 596 1HD1 LEU 596 -2.752 -4.152 4.651 615 HD12 LEU 596 2HD1 LEU 596 -1.752 -2.683 4.681 616 HD13 LEU 596 3HD1 LEU 596 -1.214 -4.097 3.750 617 HD21 LEU 596 3HD2 LEU 596 1.005 -4.142 6.704 618 HD22 LEU 596 1HD2 LEU 596 0.881 -3.637 5.013 619 HD23 LEU 596 2HD2 LEU 596 0.260 -2.585 6.302 620 H ASN 597 H ASN 597 -3.213 -5.852 9.544 621 HA ASN 597 HA ASN 597 -4.421 -3.723 10.940 622 HB2 ASN 597 1HB ASN 597 -4.555 -6.653 11.841 623 HB3 ASN 597 2HB ASN 597 -5.635 -5.351 12.262 624 HD21 ASN 597 1HD2 ASN 597 -7.210 -7.168 11.493 625 HD22 ASN 597 2HD2 ASN 597 -7.478 -7.270 9.758 626 H SER 598 H SER 598 -2.152 -6.327 11.932 627 HA SER 598 HA SER 598 -2.341 -5.999 14.692 628 HG SER 598 HG SER 598 1.034 -7.269 13.501 629 HB2 SER 598 1HB SER 598 -0.566 -7.599 14.793 630 HB3 SER 598 2HB SER 598 -1.598 -8.015 13.411 631 H LEU 599 H LEU 599 0.088 -4.936 12.432 632 HA LEU 599 HA LEU 599 1.915 -3.583 14.139 633 HG LEU 599 HG LEU 599 1.900 -5.371 11.699 634 HB2 LEU 599 1HB LEU 599 1.061 -2.981 11.273 635 HB3 LEU 599 2HB LEU 599 2.541 -2.387 12.028 636 HD11 LEU 599 1HD1 LEU 599 3.334 -5.340 9.721 637 HD12 LEU 599 2HD1 LEU 599 2.035 -4.175 9.481 638 HD13 LEU 599 3HD1 LEU 599 3.660 -3.601 9.916 639 HD21 LEU 599 3HD2 LEU 599 3.523 -5.006 13.409 640 HD22 LEU 599 1HD2 LEU 599 4.338 -5.617 11.965 641 HD23 LEU 599 2HD2 LEU 599 4.453 -3.897 12.359 642 H ASN 600 H ASN 600 -1.081 -2.569 12.532 643 HA ASN 600 HA ASN 600 -2.588 -0.957 12.923 644 HB2 ASN 600 1HB ASN 600 -2.418 -2.105 15.179 645 HB3 ASN 600 2HB ASN 600 -1.428 -0.740 15.704 646 HD21 ASN 600 1HD2 ASN 600 -3.291 -0.722 17.308 647 HD22 ASN 600 2HD2 ASN 600 -4.740 0.138 16.866 648 H GLU 601 H GLU 601 0.024 -0.308 11.810 649 HA GLU 601 HA GLU 601 0.763 2.308 12.795 650 HB2 GLU 601 1HB GLU 601 1.849 0.556 10.592 651 HB3 GLU 601 2HB GLU 601 2.487 2.151 10.971 652 HG2 GLU 601 1HG GLU 601 2.244 0.068 13.172 653 HG3 GLU 601 2HG GLU 601 3.540 0.013 12.020 654 HA PRO 602 HA PRO 602 -1.697 4.289 9.573 655 HB2 PRO 602 1HB PRO 602 -0.428 6.752 9.412 656 HB3 PRO 602 2HB PRO 602 -1.531 6.251 10.730 657 HG2 PRO 602 1HG PRO 602 1.480 6.268 10.689 658 HG3 PRO 602 2HG PRO 602 0.343 6.725 12.011 659 HD2 PRO 602 1HD PRO 602 1.621 4.294 11.917 660 HD3 PRO 602 2HD PRO 602 0.004 4.547 12.638 661 H LEU 603 H LEU 603 -1.532 3.446 7.600 662 HA LEU 603 HA LEU 603 1.047 3.557 6.145 663 HG LEU 603 HG LEU 603 0.032 1.404 7.637 664 HB2 LEU 603 1HB LEU 603 -1.449 2.046 5.324 665 HB3 LEU 603 2HB LEU 603 0.173 1.823 4.715 666 HD11 LEU 603 1HD1 LEU 603 -2.171 0.560 7.155 667 HD12 LEU 603 2HD1 LEU 603 -1.520 -0.400 5.772 668 HD13 LEU 603 3HD1 LEU 603 -1.080 -0.800 7.451 669 HD21 LEU 603 3HD2 LEU 603 1.371 -0.488 7.152 670 HD22 LEU 603 1HD2 LEU 603 0.903 -0.497 5.441 671 HD23 LEU 603 2HD2 LEU 603 1.934 0.805 6.070 672 H VAL 604 H VAL 604 0.839 3.687 3.695 673 HA VAL 604 HA VAL 604 -1.417 5.192 2.587 674 HB VAL 604 HB VAL 604 0.009 6.994 3.191 675 HG11 VAL 604 1HG1 VAL 604 2.124 5.860 3.746 676 HG12 VAL 604 2HG1 VAL 604 2.428 5.575 2.023 677 HG13 VAL 604 3HG1 VAL 604 2.405 7.223 2.665 678 HG21 VAL 604 3HG2 VAL 604 -0.784 7.179 0.867 679 HG22 VAL 604 1HG2 VAL 604 0.794 7.964 1.097 680 HG23 VAL 604 2HG2 VAL 604 0.716 6.395 0.301 681 H THR 605 H THR 605 -2.060 3.747 0.912 682 HA THR 605 HA THR 605 -0.105 2.969 -1.010 683 HB THR 605 HB THR 605 0.404 1.286 0.755 684 HG1 THR 605 1HG THR 605 0.120 -0.548 -0.723 685 HG21 THR 605 3HG2 THR 605 -2.507 0.511 0.492 686 HG22 THR 605 1HG2 THR 605 -1.263 -0.574 1.130 687 HG23 THR 605 2HG2 THR 605 -1.594 0.973 1.933 688 H MET 606 H MET 606 -1.294 1.105 -2.406 689 HA MET 606 HA MET 606 -3.947 2.149 -3.232 690 HB2 MET 606 1HB MET 606 -2.006 0.264 -4.654 691 HB3 MET 606 2HB MET 606 -3.540 0.865 -5.303 692 HG2 MET 606 1HG MET 606 -2.631 3.218 -4.923 693 HG3 MET 606 2HG MET 606 -1.057 2.476 -4.696 694 HE1 MET 606 3HE MET 606 0.365 1.353 -6.596 695 HE2 MET 606 1HE MET 606 -0.921 0.180 -6.989 696 HE3 MET 606 2HE MET 606 -0.193 1.142 -8.271 697 HA PRO 607 HA PRO 607 -5.822 -1.096 -1.162 698 HB2 PRO 607 1HB PRO 607 -7.595 -2.350 -2.886 699 HB3 PRO 607 2HB PRO 607 -7.871 -0.809 -2.041 700 HG2 PRO 607 1HG PRO 607 -7.308 -1.262 -4.905 701 HG3 PRO 607 2HG PRO 607 -7.973 0.173 -4.118 702 HD2 PRO 607 1HD PRO 607 -5.287 -0.303 -5.016 703 HD3 PRO 607 2HD PRO 607 -5.886 1.154 -4.169 704 H ILE 608 H ILE 608 -4.761 -2.829 -0.422 705 HA ILE 608 HA ILE 608 -2.847 -4.212 -1.906 706 HB ILE 608 HB ILE 608 -4.227 -4.786 0.735 707 HG12 ILE 608 1HG1 ILE 608 -2.862 -2.701 0.549 708 HG13 ILE 608 2HG1 ILE 608 -2.447 -3.814 1.842 709 HG21 ILE 608 1HG2 ILE 608 -2.107 -6.250 1.161 710 HG22 ILE 608 2HG2 ILE 608 -3.379 -6.951 0.158 711 HG23 ILE 608 3HG2 ILE 608 -1.908 -6.267 -0.590 712 HD11 ILE 608 3HD1 ILE 608 -0.969 -3.739 -0.787 713 HD12 ILE 608 1HD1 ILE 608 -0.504 -2.798 0.636 714 HD13 ILE 608 2HD1 ILE 608 -0.471 -4.562 0.717 715 H GLY 609 H GLY 609 -6.176 -5.205 -1.026 716 HA2 GLY 609 1HA GLY 609 -5.933 -7.726 -2.546 717 HA3 GLY 609 2HA GLY 609 -7.309 -7.164 -1.590 718 H TYR 610 H TYR 610 -5.516 -6.167 -4.532 719 HA TYR 610 HA TYR 610 -8.058 -5.594 -5.948 720 HD1 TYR 610 1HD TYR 610 -9.269 -4.251 -6.961 721 HD2 TYR 610 2HD TYR 610 -5.768 -1.723 -7.230 722 HE1 TYR 610 1HE TYR 610 -10.294 -3.032 -8.791 723 HE2 TYR 610 2HE TYR 610 -6.828 -0.463 -9.050 724 HH TYR 610 HH TYR 610 -8.682 -0.235 -10.409 725 HB2 TYR 610 1HB TYR 610 -7.139 -3.508 -4.915 726 HB3 TYR 610 2HB TYR 610 -5.682 -3.713 -5.889 727 H VAL 611 H VAL 611 -6.575 -4.670 -8.252 728 HA VAL 611 HA VAL 611 -5.992 -6.524 -9.986 729 HB VAL 611 HB VAL 611 -4.071 -5.087 -10.790 730 HG11 VAL 611 1HG1 VAL 611 -6.495 -4.648 -11.367 731 HG12 VAL 611 2HG1 VAL 611 -6.585 -3.534 -9.988 732 HG13 VAL 611 3HG1 VAL 611 -5.509 -3.170 -11.347 733 HG21 VAL 611 3HG2 VAL 611 -4.525 -3.472 -8.276 734 HG22 VAL 611 1HG2 VAL 611 -3.018 -4.115 -8.974 735 HG23 VAL 611 2HG2 VAL 611 -3.838 -2.801 -9.768 736 H THR 612 H THR 612 -3.613 -5.636 -7.558 737 HA THR 612 HA THR 612 -1.448 -7.243 -8.112 738 HB THR 612 HB THR 612 -1.154 -6.913 -5.527 739 HG1 THR 612 1HG THR 612 -2.696 -5.454 -4.647 740 HG21 THR 612 3HG2 THR 612 -0.701 -4.529 -5.792 741 HG22 THR 612 1HG2 THR 612 -0.233 -5.379 -7.270 742 HG23 THR 612 2HG2 THR 612 -1.735 -4.449 -7.245 743 H HIS 613 H HIS 613 -4.291 -7.963 -6.146 744 HA HIS 613 HA HIS 613 -3.480 -10.767 -5.701 745 HD1 HIS 613 1HD HIS 613 -3.211 -8.085 -2.826 746 HD2 HIS 613 2HD HIS 613 -4.165 -12.209 -2.881 747 HE1 HIS 613 1HE HIS 613 -1.786 -9.232 -0.977 748 HE2 HIS 613 2HE HIS 613 -2.381 -11.794 -1.110 749 HB2 HIS 613 1HB HIS 613 -5.358 -8.853 -4.337 750 HB3 HIS 613 2HB HIS 613 -5.721 -10.559 -4.242 751 H GLY 614 H GLY 614 -4.690 -9.371 -8.321 752 HA2 GLY 614 1HA GLY 614 -6.172 -9.960 -9.939 753 HA3 GLY 614 2HA GLY 614 -6.221 -11.570 -9.205 754 H PHE 615 H PHE 615 -7.170 -8.505 -7.632 755 HA PHE 615 HA PHE 615 -9.955 -9.533 -7.231 756 HD1 PHE 615 2HD PHE 615 -8.537 -11.093 -5.807 757 HD2 PHE 615 1HD PHE 615 -9.933 -7.972 -3.197 758 HE1 PHE 615 2HE PHE 615 -8.892 -12.745 -4.008 759 HE2 PHE 615 1HE PHE 615 -10.238 -9.566 -1.394 760 HZ PHE 615 HZ PHE 615 -9.775 -12.018 -1.784 761 HB2 PHE 615 1HB PHE 615 -8.084 -7.904 -5.551 762 HB3 PHE 615 2HB PHE 615 -9.787 -7.563 -5.482 763 H ASN 616 H ASN 616 -11.492 -7.860 -7.141 764 HA ASN 616 HA ASN 616 -11.064 -5.715 -9.161 765 HB2 ASN 616 1HB ASN 616 -13.430 -5.806 -9.581 766 HB3 ASN 616 2HB ASN 616 -12.751 -7.415 -9.761 767 HD21 ASN 616 1HD2 ASN 616 -13.812 -9.136 -8.702 768 HD22 ASN 616 2HD2 ASN 616 -14.936 -8.788 -7.404 769 H LEU 617 H LEU 617 -12.824 -3.904 -8.626 770 HA LEU 617 HA LEU 617 -11.488 -2.682 -6.371 771 HG LEU 617 HG LEU 617 -13.181 -0.177 -6.076 772 HB2 LEU 617 1HB LEU 617 -12.144 -1.565 -8.579 773 HB3 LEU 617 2HB LEU 617 -13.814 -1.608 -8.017 774 HD11 LEU 617 1HD1 LEU 617 -10.749 -0.700 -5.886 775 HD12 LEU 617 2HD1 LEU 617 -10.470 -0.030 -7.505 776 HD13 LEU 617 3HD1 LEU 617 -10.972 1.027 -6.179 777 HD21 LEU 617 3HD2 LEU 617 -12.953 1.888 -7.351 778 HD22 LEU 617 1HD2 LEU 617 -12.413 0.972 -8.773 779 HD23 LEU 617 2HD2 LEU 617 -14.074 0.779 -8.157 780 H GLU 618 H GLU 618 -14.642 -4.054 -6.922 781 HA GLU 618 HA GLU 618 -15.981 -3.176 -4.518 782 HB2 GLU 618 1HB GLU 618 -17.242 -3.785 -6.451 783 HB3 GLU 618 2HB GLU 618 -16.421 -5.316 -6.618 784 HG2 GLU 618 1HG GLU 618 -17.477 -5.790 -4.214 785 HG3 GLU 618 2HG GLU 618 -18.595 -4.528 -4.719 786 H GLU 619 H GLU 619 -14.476 -6.417 -5.458 787 HA GLU 619 HA GLU 619 -14.614 -7.523 -2.941 788 HB2 GLU 619 1HB GLU 619 -12.872 -7.883 -5.379 789 HB3 GLU 619 2HB GLU 619 -12.377 -8.701 -3.893 790 HG2 GLU 619 1HG GLU 619 -15.223 -8.877 -4.915 791 HG3 GLU 619 2HG GLU 619 -13.947 -9.943 -5.475 792 H ALA 620 H ALA 620 -11.838 -5.619 -4.232 793 HA ALA 620 HA ALA 620 -10.232 -5.594 -2.011 794 HB1 ALA 620 1HB ALA 620 -9.872 -4.547 -4.352 795 HB2 ALA 620 2HB ALA 620 -10.698 -3.110 -3.720 796 HB3 ALA 620 3HB ALA 620 -9.196 -3.730 -2.960 797 H ALA 621 H ALA 621 -13.015 -3.412 -2.639 798 HA ALA 621 HA ALA 621 -12.736 -1.835 -0.268 799 HB1 ALA 621 1HB ALA 621 -15.197 -2.499 -1.951 800 HB2 ALA 621 2HB ALA 621 -15.073 -1.205 -0.752 801 HB3 ALA 621 3HB ALA 621 -14.077 -1.164 -2.230 802 H ARG 622 H ARG 622 -14.722 -4.740 -1.018 803 HA ARG 622 HA ARG 622 -15.866 -5.027 1.578 804 HE ARG 622 HE ARG 622 -19.263 -7.164 0.283 805 HB2 ARG 622 1HB ARG 622 -15.168 -7.251 -0.395 806 HB3 ARG 622 2HB ARG 622 -16.239 -7.399 1.000 807 HG2 ARG 622 1HG ARG 622 -17.768 -5.711 -0.017 808 HG3 ARG 622 2HG ARG 622 -16.741 -5.651 -1.436 809 HD2 ARG 622 1HD ARG 622 -18.061 -7.244 -2.282 810 HD3 ARG 622 2HD ARG 622 -17.179 -8.368 -1.239 811 HH11 ARG 622 2HH2 ARG 622 -18.959 -9.527 -2.390 812 HH12 ARG 622 1HH2 ARG 622 -20.480 -10.233 -2.088 813 HH21 ARG 622 2HH1 ARG 622 -21.275 -7.984 0.589 814 HH22 ARG 622 1HH1 ARG 622 -21.937 -9.251 -0.349 815 H CYS 623 H CYS 623 -12.749 -5.983 0.286 816 HA CYS 623 HA CYS 623 -12.020 -7.616 2.523 817 HG CYS 623 HG CYS 623 -9.970 -8.708 2.667 818 HB2 CYS 623 1HB CYS 623 -11.029 -7.189 -0.079 819 HB3 CYS 623 2HB CYS 623 -9.787 -6.474 0.891 820 H MET 624 H MET 624 -11.311 -4.201 1.646 821 HA MET 624 HA MET 624 -9.448 -3.813 3.787 822 HB2 MET 624 1HB MET 624 -10.982 -1.933 1.967 823 HB3 MET 624 2HB MET 624 -10.132 -1.314 3.379 824 HG2 MET 624 1HG MET 624 -8.143 -2.837 2.384 825 HG3 MET 624 2HG MET 624 -8.987 -2.437 0.876 826 HE1 MET 624 3HE MET 624 -5.871 -1.236 2.681 827 HE2 MET 624 1HE MET 624 -6.139 -1.804 1.026 828 HE3 MET 624 2HE MET 624 -5.699 -0.083 1.334 829 H ARG 625 H ARG 625 -12.906 -4.087 3.936 830 HA ARG 625 HA ARG 625 -13.318 -2.662 6.397 831 HE ARG 625 HE ARG 625 -17.030 -3.383 2.680 832 HB2 ARG 625 1HB ARG 625 -14.585 -5.200 5.295 833 HB3 ARG 625 2HB ARG 625 -15.192 -4.261 6.676 834 HG2 ARG 625 1HG ARG 625 -15.466 -2.314 5.145 835 HG3 ARG 625 2HG ARG 625 -15.065 -3.397 3.776 836 HD2 ARG 625 1HD ARG 625 -17.022 -4.784 5.218 837 HD3 ARG 625 2HD ARG 625 -17.513 -3.085 5.368 838 HH11 ARG 625 2HH2 ARG 625 -19.155 -4.891 5.089 839 HH12 ARG 625 1HH2 ARG 625 -20.408 -5.275 3.953 840 HH21 ARG 625 2HH1 ARG 625 -18.632 -3.975 1.171 841 HH22 ARG 625 1HH1 ARG 625 -20.145 -4.679 1.694 842 H SER 626 H SER 626 -11.936 -5.911 5.673 843 HA SER 626 HA SER 626 -12.003 -6.758 8.415 844 HG SER 626 HG SER 626 -10.958 -9.829 7.381 845 HB2 SER 626 1HB SER 626 -11.977 -8.253 6.365 846 HB3 SER 626 2HB SER 626 -10.277 -7.847 6.146 847 H LEU 627 H LEU 627 -9.876 -4.708 6.534 848 HA LEU 627 HA LEU 627 -7.683 -4.884 8.479 849 HG LEU 627 HG LEU 627 -5.939 -2.365 6.327 850 HB2 LEU 627 1HB LEU 627 -6.963 -4.373 6.232 851 HB3 LEU 627 2HB LEU 627 -8.212 -3.171 6.024 852 HD11 LEU 627 1HD1 LEU 627 -7.667 -0.906 8.178 853 HD12 LEU 627 2HD1 LEU 627 -6.297 -0.351 7.209 854 HD13 LEU 627 3HD1 LEU 627 -7.764 -0.897 6.412 855 HD21 LEU 627 3HD2 LEU 627 -5.813 -3.136 9.146 856 HD22 LEU 627 1HD2 LEU 627 -4.908 -3.741 7.779 857 HD23 LEU 627 2HD2 LEU 627 -4.706 -2.067 8.257 858 H LYS 628 H LYS 628 -7.365 -3.431 10.111 859 HA LYS 628 HA LYS 628 -9.204 -1.167 10.078 860 HB2 LYS 628 1HB LYS 628 -8.452 -2.518 12.675 861 HB3 LYS 628 2HB LYS 628 -9.786 -1.419 12.429 862 HG2 LYS 628 1HG LYS 628 -9.683 -4.234 11.227 863 HG3 LYS 628 2HG LYS 628 -10.305 -3.859 12.779 864 HD2 LYS 628 1HD LYS 628 -11.458 -2.522 10.315 865 HD3 LYS 628 2HD LYS 628 -11.933 -4.123 10.823 866 HE2 LYS 628 1HE LYS 628 -13.523 -3.127 11.973 867 HE3 LYS 628 2HE LYS 628 -12.278 -2.834 13.192 868 HZ1 LYS 628 3HZ LYS 628 -13.630 -0.870 12.493 869 HZ2 LYS 628 1HZ LYS 628 -12.010 -0.626 12.356 870 HZ3 LYS 628 2HZ LYS 628 -12.910 -0.929 11.015 871 H ALA 629 H ALA 629 -5.940 -1.524 9.886 872 HA ALA 629 HA ALA 629 -5.187 0.421 11.906 873 HB1 ALA 629 1HB ALA 629 -3.020 0.341 10.810 874 HB2 ALA 629 2HB ALA 629 -3.631 -1.313 10.939 875 HB3 ALA 629 3HB ALA 629 -3.700 -0.439 9.382 876 HA PRO 630 HA PRO 630 -6.176 3.982 9.297 877 HB2 PRO 630 1HB PRO 630 -3.610 5.300 9.730 878 HB3 PRO 630 2HB PRO 630 -5.206 5.746 10.382 879 HG2 PRO 630 1HG PRO 630 -3.095 4.746 11.932 880 HG3 PRO 630 2HG PRO 630 -4.829 4.669 12.367 881 HD2 PRO 630 1HD PRO 630 -3.099 2.526 11.167 882 HD3 PRO 630 2HD PRO 630 -4.402 2.397 12.386 883 H ALA 631 H ALA 631 -5.948 3.993 6.982 884 HA ALA 631 HA ALA 631 -3.237 3.827 5.883 885 HB1 ALA 631 1HB ALA 631 -5.408 1.846 5.094 886 HB2 ALA 631 2HB ALA 631 -3.854 2.080 4.254 887 HB3 ALA 631 3HB ALA 631 -3.872 1.492 5.933 888 H VAL 632 H VAL 632 -3.186 5.526 4.436 889 HA VAL 632 HA VAL 632 -5.569 6.445 3.025 890 HB VAL 632 HB VAL 632 -2.620 6.996 2.777 891 HG11 VAL 632 1HG1 VAL 632 -3.037 8.394 0.767 892 HG12 VAL 632 2HG1 VAL 632 -3.242 6.690 0.410 893 HG13 VAL 632 3HG1 VAL 632 -4.681 7.731 0.659 894 HG21 VAL 632 3HG2 VAL 632 -5.065 8.817 2.868 895 HG22 VAL 632 1HG2 VAL 632 -4.068 8.367 4.262 896 HG23 VAL 632 2HG2 VAL 632 -3.371 9.321 2.950 897 H VAL 633 H VAL 633 -6.355 5.667 1.146 898 HA VAL 633 HA VAL 633 -5.164 3.184 -0.004 899 HB VAL 633 HB VAL 633 -8.049 3.850 -0.406 900 HG11 VAL 633 1HG1 VAL 633 -8.128 1.388 -0.618 901 HG12 VAL 633 2HG1 VAL 633 -6.903 2.062 -1.688 902 HG13 VAL 633 3HG1 VAL 633 -6.411 1.282 -0.187 903 HG21 VAL 633 3HG2 VAL 633 -7.947 3.934 2.038 904 HG22 VAL 633 1HG2 VAL 633 -8.665 2.409 1.526 905 HG23 VAL 633 2HG2 VAL 633 -6.970 2.448 2.079 906 H SER 634 H SER 634 -5.296 3.349 -2.578 907 HA SER 634 HA SER 634 -6.272 5.965 -3.529 908 HG SER 634 HG SER 634 -3.370 7.285 -4.622 909 HB2 SER 634 1HB SER 634 -3.945 6.333 -2.890 910 HB3 SER 634 2HB SER 634 -3.423 4.995 -3.939 911 H VAL 635 H VAL 635 -6.613 6.165 -5.685 912 HA VAL 635 HA VAL 635 -7.148 3.594 -7.149 913 HB VAL 635 HB VAL 635 -9.200 4.889 -7.990 914 HG11 VAL 635 1HG1 VAL 635 -9.204 4.063 -5.071 915 HG12 VAL 635 2HG1 VAL 635 -10.611 4.135 -6.145 916 HG13 VAL 635 3HG1 VAL 635 -9.333 2.935 -6.434 917 HG21 VAL 635 3HG2 VAL 635 -10.125 6.611 -6.685 918 HG22 VAL 635 1HG2 VAL 635 -8.957 6.448 -5.382 919 HG23 VAL 635 2HG2 VAL 635 -8.462 7.115 -6.954 920 H SER 636 H SER 636 -7.776 4.059 -9.515 921 HA SER 636 HA SER 636 -5.609 5.344 -10.773 922 HG SER 636 HG SER 636 -5.847 3.306 -12.643 923 HB2 SER 636 1HB SER 636 -7.590 3.556 -11.570 924 HB3 SER 636 2HB SER 636 -8.011 5.024 -12.465 925 H SER 637 H SER 637 -8.796 6.685 -9.797 926 HA SER 637 HA SER 637 -8.132 9.192 -11.252 927 HG SER 637 HG SER 637 -9.439 7.673 -13.458 928 HB2 SER 637 1HB SER 637 -10.922 8.103 -11.152 929 HB3 SER 637 2HB SER 637 -10.213 9.241 -12.292 930 HA PRO 638 HA PRO 638 -9.866 10.953 -7.528 931 HB2 PRO 638 1HB PRO 638 -10.870 13.395 -8.612 932 HB3 PRO 638 2HB PRO 638 -9.262 13.125 -7.909 933 HG2 PRO 638 1HG PRO 638 -10.038 13.329 -10.763 934 HG3 PRO 638 2HG PRO 638 -8.441 13.535 -10.030 935 HD2 PRO 638 1HD PRO 638 -9.368 11.309 -11.484 936 HD3 PRO 638 2HD PRO 638 -7.887 11.368 -10.483 937 H ASP 639 H ASP 639 -11.970 10.679 -10.402 938 HA ASP 639 HA ASP 639 -14.367 11.039 -8.830 939 HB2 ASP 639 1HB ASP 639 -14.252 11.255 -11.334 940 HB3 ASP 639 2HB ASP 639 -14.164 9.496 -11.432 941 H ALA 640 H ALA 640 -12.345 8.337 -9.649 942 HA ALA 640 HA ALA 640 -14.029 6.170 -8.946 943 HB1 ALA 640 1HB ALA 640 -10.986 6.277 -9.036 944 HB2 ALA 640 2HB ALA 640 -12.000 4.828 -9.114 945 HB3 ALA 640 3HB ALA 640 -12.044 6.010 -10.435 946 H VAL 641 H VAL 641 -12.213 8.351 -7.017 947 HA VAL 641 HA VAL 641 -11.566 6.841 -4.710 948 HB VAL 641 HB VAL 641 -12.366 9.747 -5.186 949 HG11 VAL 641 1HG1 VAL 641 -12.668 9.219 -2.767 950 HG12 VAL 641 2HG1 VAL 641 -11.038 8.486 -2.758 951 HG13 VAL 641 3HG1 VAL 641 -11.239 10.235 -2.990 952 HG21 VAL 641 3HG2 VAL 641 -10.257 9.061 -6.288 953 HG22 VAL 641 1HG2 VAL 641 -9.995 10.265 -5.031 954 HG23 VAL 641 2HG2 VAL 641 -9.606 8.567 -4.720 955 H THR 642 H THR 642 -14.483 8.802 -5.469 956 HA THR 642 HA THR 642 -16.004 7.932 -3.235 957 HB THR 642 HB THR 642 -16.728 9.243 -5.884 958 HG1 THR 642 1HG THR 642 -15.819 10.848 -5.044 959 HG21 THR 642 3HG2 THR 642 -18.278 9.210 -3.257 960 HG22 THR 642 1HG2 THR 642 -18.657 10.200 -4.687 961 HG23 THR 642 2HG2 THR 642 -18.772 8.436 -4.785 962 H THR 643 H THR 643 -15.635 6.581 -6.544 963 HA THR 643 HA THR 643 -17.831 4.788 -6.384 964 HB THR 643 HB THR 643 -15.150 4.341 -7.767 965 HG1 THR 643 1HG THR 643 -17.353 5.960 -8.474 966 HG21 THR 643 3HG2 THR 643 -17.967 3.358 -8.309 967 HG22 THR 643 1HG2 THR 643 -16.664 3.264 -9.507 968 HG23 THR 643 2HG2 THR 643 -16.503 2.409 -7.962 969 H TYR 644 H TYR 644 -14.336 4.304 -5.557 970 HA TYR 644 HA TYR 644 -14.654 1.667 -4.578 971 HD1 TYR 644 1HD TYR 644 -12.269 0.156 -4.176 972 HD2 TYR 644 2HD TYR 644 -11.901 3.757 -1.867 973 HE1 TYR 644 1HE TYR 644 -11.003 -1.107 -2.424 974 HE2 TYR 644 2HE TYR 644 -10.707 2.496 -0.081 975 HH TYR 644 HH TYR 644 -10.079 0.335 0.656 976 HB2 TYR 644 1HB TYR 644 -12.485 2.565 -5.195 977 HB3 TYR 644 2HB TYR 644 -12.638 3.905 -4.084 978 H ASN 645 H ASN 645 -14.503 4.846 -2.720 979 HA ASN 645 HA ASN 645 -14.847 3.677 -0.181 980 HB2 ASN 645 1HB ASN 645 -15.869 6.375 -1.185 981 HB3 ASN 645 2HB ASN 645 -15.773 5.879 0.500 982 HD21 ASN 645 1HD2 ASN 645 -14.419 8.072 -1.174 983 HD22 ASN 645 2HD2 ASN 645 -12.744 7.853 -0.827 984 H GLY 646 H GLY 646 -17.176 4.900 -2.530 985 HA2 GLY 646 1HA GLY 646 -19.657 4.594 -1.290 986 HA3 GLY 646 2HA GLY 646 -19.379 4.287 -3.012 987 H TYR 647 H TYR 647 -17.687 1.953 -2.786 988 HA TYR 647 HA TYR 647 -19.621 -0.106 -2.116 989 HD1 TYR 647 1HD TYR 647 -19.887 -0.014 -4.382 990 HD2 TYR 647 2HD TYR 647 -15.675 -0.903 -4.642 991 HE1 TYR 647 1HE TYR 647 -19.958 0.418 -6.807 992 HE2 TYR 647 2HE TYR 647 -15.725 -0.462 -7.067 993 HH TYR 647 HH TYR 647 -18.708 0.623 -8.749 994 HB2 TYR 647 1HB TYR 647 -16.638 -0.423 -2.543 995 HB3 TYR 647 2HB TYR 647 -17.845 -1.683 -2.643 996 H LEU 648 H LEU 648 -16.816 1.369 -0.423 997 HA LEU 648 HA LEU 648 -16.507 -0.674 1.536 998 HG LEU 648 HG LEU 648 -14.120 -0.147 1.375 999 HB2 LEU 648 1HB LEU 648 -15.422 1.975 1.136 1000 HB3 LEU 648 2HB LEU 648 -15.931 1.832 2.804 1001 HD11 LEU 648 1HD1 LEU 648 -13.493 1.981 3.445 1002 HD12 LEU 648 2HD1 LEU 648 -12.345 0.772 2.818 1003 HD13 LEU 648 3HD1 LEU 648 -13.012 2.010 1.726 1004 HD21 LEU 648 3HD2 LEU 648 -15.359 -1.208 3.189 1005 HD22 LEU 648 1HD2 LEU 648 -13.648 -1.070 3.591 1006 HD23 LEU 648 2HD2 LEU 648 -14.825 0.054 4.311 1007 H THR 649 H THR 649 -18.536 2.266 1.433 1008 HA THR 649 HA THR 649 -19.770 1.782 4.004 1009 HB THR 649 HB THR 649 -21.288 3.624 3.218 1010 HG1 THR 649 1HG THR 649 -21.383 3.569 1.062 1011 HG21 THR 649 3HG2 THR 649 -19.520 5.355 3.158 1012 HG22 THR 649 1HG2 THR 649 -19.153 4.117 4.368 1013 HG23 THR 649 2HG2 THR 649 -18.296 4.135 2.806 1014 H SER 650 H SER 650 -20.903 1.514 0.611 1015 HA SER 650 HA SER 650 -22.833 0.830 -0.228 1016 HG SER 650 HG SER 650 -20.519 -1.185 -0.101 1017 HB2 SER 650 1HB SER 650 -22.164 -1.671 1.320 1018 HB3 SER 650 2HB SER 650 -23.331 -1.571 -0.008 1019 H SER 651 H SER 651 -23.969 2.467 1.066 1020 HA SER 651 HA SER 651 -25.883 3.086 2.107 1021 HG SER 651 HG SER 651 -27.848 2.148 1.031 1022 HB2 SER 651 1HB SER 651 -26.449 0.405 1.395 1023 HB3 SER 651 2HB SER 651 -26.809 0.450 3.103 Start of MODEL 15 1 H1 GLY -4 H GLY -4 -4.676 19.174 10.200 2 HA2 GLY -4 1HA GLY -4 -4.618 18.337 7.357 3 HA3 GLY -4 2HA GLY -4 -3.419 17.832 8.541 4 H SER -3 H SER -3 -3.723 15.789 8.947 5 HA SER -3 HA SER -3 -4.718 13.723 9.184 6 HG SER -3 HG SER -3 -3.149 15.275 11.889 7 HB2 SER -3 1HB SER -3 -5.228 15.435 11.603 8 HB3 SER -3 2HB SER -3 -5.153 13.652 11.615 9 H HIS -2 H HIS -2 -6.308 13.298 7.736 10 HA HIS -2 HA HIS -2 -8.890 12.905 9.100 11 HD1 HIS -2 1HD HIS -2 -12.010 13.254 7.846 12 HD2 HIS -2 2HD HIS -2 -9.247 16.472 8.020 13 HE1 HIS -2 1HE HIS -2 -13.309 15.328 8.684 14 HE2 HIS -2 2HE HIS -2 -11.613 17.237 8.852 15 HB2 HIS -2 1HB HIS -2 -8.589 14.321 6.506 16 HB3 HIS -2 2HB HIS -2 -9.721 12.987 6.460 17 H MET -1 H MET -1 -6.481 11.661 6.815 18 HA MET -1 HA MET -1 -6.148 9.754 5.860 19 HB2 MET -1 1HB MET -1 -7.378 8.860 8.428 20 HB3 MET -1 2HB MET -1 -7.478 7.693 7.121 21 HG2 MET -1 1HG MET -1 -5.452 7.333 8.327 22 HG3 MET -1 2HG MET -1 -5.085 7.875 6.707 23 HE1 MET -1 3HE MET -1 -4.744 8.638 10.559 24 HE2 MET -1 1HE MET -1 -3.561 7.670 9.657 25 HE3 MET -1 2HE MET -1 -3.083 9.233 10.340 26 H GLY 527 H GLY 527 -7.323 7.816 4.914 27 HA2 GLY 527 1HA GLY 527 -9.453 6.957 4.087 28 HA3 GLY 527 2HA GLY 527 -9.978 8.611 3.757 29 H THR 528 H THR 528 -10.432 7.429 1.690 30 HA THR 528 HA THR 528 -8.346 6.495 -0.034 31 HB THR 528 HB THR 528 -11.026 7.559 -0.978 32 HG1 THR 528 1HG THR 528 -11.710 6.517 0.732 33 HG21 THR 528 3HG2 THR 528 -9.519 5.005 -1.669 34 HG22 THR 528 1HG2 THR 528 -10.994 5.607 -2.435 35 HG23 THR 528 2HG2 THR 528 -9.475 6.500 -2.629 36 H VAL 529 H VAL 529 -7.269 7.658 -1.713 37 HA VAL 529 HA VAL 529 -8.063 10.436 -2.324 38 HB VAL 529 HB VAL 529 -5.718 11.175 -2.238 39 HG11 VAL 529 1HG1 VAL 529 -5.500 11.469 0.141 40 HG12 VAL 529 2HG1 VAL 529 -7.214 11.560 -0.292 41 HG13 VAL 529 3HG1 VAL 529 -6.575 10.091 0.469 42 HG21 VAL 529 3HG2 VAL 529 -5.132 8.468 -0.976 43 HG22 VAL 529 1HG2 VAL 529 -4.473 9.101 -2.492 44 HG23 VAL 529 2HG2 VAL 529 -4.037 9.840 -0.946 45 H SER 530 H SER 530 -6.350 11.082 -4.299 46 HA SER 530 HA SER 530 -6.077 8.737 -6.115 47 HG SER 530 HG SER 530 -8.183 11.571 -5.844 48 HB2 SER 530 1HB SER 530 -6.747 10.367 -7.991 49 HB3 SER 530 2HB SER 530 -8.006 9.656 -7.006 50 H TRP 531 H TRP 531 -4.154 10.026 -4.382 51 HA TRP 531 HA TRP 531 -2.431 11.975 -5.630 52 HD1 TRP 531 HD TRP 531 -3.741 12.976 -3.810 53 HE1 TRP 531 1HE TRP 531 -4.241 13.815 -1.465 54 HE3 TRP 531 3HE TRP 531 -0.581 9.921 -1.200 55 HZ2 TRP 531 2HZ TRP 531 -3.438 13.171 1.250 56 HZ3 TRP 531 3HZ TRP 531 -0.455 10.064 1.267 57 HH2 TRP 531 HH TRP 531 -1.940 11.635 2.506 58 HB2 TRP 531 1HB TRP 531 -1.874 9.742 -3.649 59 HB3 TRP 531 2HB TRP 531 -0.770 11.038 -4.027 60 H ASN 532 H ASN 532 -0.336 11.642 -6.653 61 HA ASN 532 HA ASN 532 -0.204 9.366 -8.500 62 HB2 ASN 532 1HB ASN 532 2.059 11.194 -7.540 63 HB3 ASN 532 2HB ASN 532 2.198 9.973 -8.781 64 HD21 ASN 532 1HD2 ASN 532 0.361 13.047 -8.173 65 HD22 ASN 532 2HD2 ASN 532 0.505 13.457 -9.868 66 H LEU 533 H LEU 533 1.489 7.785 -8.373 67 HA LEU 533 HA LEU 533 2.236 6.662 -5.827 68 HG LEU 533 HG LEU 533 4.049 4.076 -7.814 69 HB2 LEU 533 1HB LEU 533 2.244 5.485 -8.030 70 HB3 LEU 533 2HB LEU 533 3.630 6.441 -8.534 71 HD11 LEU 533 1HD1 LEU 533 6.150 4.454 -6.754 72 HD12 LEU 533 2HD1 LEU 533 5.868 5.768 -7.914 73 HD13 LEU 533 3HD1 LEU 533 5.666 6.047 -6.172 74 HD21 LEU 533 3HD2 LEU 533 3.656 5.072 -4.969 75 HD22 LEU 533 1HD2 LEU 533 2.519 4.031 -5.858 76 HD23 LEU 533 2HD2 LEU 533 4.153 3.450 -5.487 77 H ARG 534 H ARG 534 3.588 9.292 -7.911 78 HA ARG 534 HA ARG 534 6.098 9.517 -6.550 79 HE ARG 534 HE ARG 534 5.850 10.677 -11.662 80 HB2 ARG 534 1HB ARG 534 4.461 11.863 -7.649 81 HB3 ARG 534 2HB ARG 534 6.195 11.807 -7.370 82 HG2 ARG 534 1HG ARG 534 6.436 10.157 -9.204 83 HG3 ARG 534 2HG ARG 534 4.678 10.253 -9.494 84 HD2 ARG 534 1HD ARG 534 4.911 12.707 -9.899 85 HD3 ARG 534 2HD ARG 534 6.670 12.541 -9.714 86 HH11 ARG 534 2HH2 ARG 534 6.108 14.222 -11.311 87 HH12 ARG 534 1HH2 ARG 534 6.331 14.454 -13.010 88 HH21 ARG 534 2HH1 ARG 534 5.808 11.156 -13.996 89 HH22 ARG 534 1HH1 ARG 534 6.221 12.778 -14.466 90 H GLU 535 H GLU 535 2.894 10.953 -5.898 91 HA GLU 535 HA GLU 535 3.704 12.709 -3.835 92 HB2 GLU 535 1HB GLU 535 1.128 11.571 -4.881 93 HB3 GLU 535 2HB GLU 535 1.144 12.488 -3.380 94 HG2 GLU 535 1HG GLU 535 2.052 14.448 -4.531 95 HG3 GLU 535 2HG GLU 535 2.201 13.521 -6.035 96 H MET 536 H MET 536 2.143 9.483 -3.893 97 HA MET 536 HA MET 536 1.964 9.076 -1.101 98 HB2 MET 536 1HB MET 536 2.274 7.105 -3.398 99 HB3 MET 536 2HB MET 536 1.843 6.642 -1.750 100 HG2 MET 536 1HG MET 536 -0.227 7.835 -1.837 101 HG3 MET 536 2HG MET 536 0.242 8.701 -3.297 102 HE1 MET 536 3HE MET 536 -1.418 5.666 -1.766 103 HE2 MET 536 1HE MET 536 -1.257 4.392 -3.009 104 HE3 MET 536 2HE MET 536 0.170 4.942 -2.103 105 H LEU 537 H LEU 537 4.583 8.144 -3.360 106 HA LEU 537 HA LEU 537 6.212 6.718 -1.576 107 HG LEU 537 HG LEU 537 8.968 7.035 -2.723 108 HB2 LEU 537 1HB LEU 537 6.341 7.162 -4.203 109 HB3 LEU 537 2HB LEU 537 7.337 8.517 -3.762 110 HD11 LEU 537 1HD1 LEU 537 7.153 4.756 -3.653 111 HD12 LEU 537 2HD1 LEU 537 8.833 4.559 -3.086 112 HD13 LEU 537 3HD1 LEU 537 7.607 5.134 -1.973 113 HD21 LEU 537 3HD2 LEU 537 9.711 5.940 -4.875 114 HD22 LEU 537 1HD2 LEU 537 8.120 6.291 -5.558 115 HD23 LEU 537 2HD2 LEU 537 9.196 7.621 -5.080 116 H ALA 538 H ALA 538 6.392 10.108 -2.570 117 HA ALA 538 HA ALA 538 8.344 11.004 -0.706 118 HB1 ALA 538 1HB ALA 538 7.629 12.306 -2.680 119 HB2 ALA 538 2HB ALA 538 6.008 12.504 -1.980 120 HB3 ALA 538 3HB ALA 538 7.420 13.246 -1.187 121 H HIS 539 H HIS 539 4.794 10.695 -0.433 122 HA HIS 539 HA HIS 539 4.447 12.205 1.889 123 HD1 HIS 539 1HD HIS 539 1.786 13.457 1.289 124 HD2 HIS 539 2HD HIS 539 1.464 9.904 3.544 125 HE1 HIS 539 1HE HIS 539 0.204 13.993 3.233 126 HE2 HIS 539 2HE HIS 539 -0.069 11.872 4.610 127 HB2 HIS 539 1HB HIS 539 2.646 11.112 0.286 128 HB3 HIS 539 2HB HIS 539 2.770 9.724 1.333 129 H ALA 540 H ALA 540 5.030 8.677 1.615 130 HA ALA 540 HA ALA 540 5.032 8.157 4.499 131 HB1 ALA 540 1HB ALA 540 6.188 6.039 3.650 132 HB2 ALA 540 2HB ALA 540 4.659 6.346 2.823 133 HB3 ALA 540 3HB ALA 540 6.198 6.716 2.023 134 H GLU 541 H GLU 541 7.771 8.927 2.102 135 HA GLU 541 HA GLU 541 9.769 8.550 3.894 136 HB2 GLU 541 1HB GLU 541 9.404 8.976 1.201 137 HB3 GLU 541 2HB GLU 541 9.817 10.633 1.684 138 HG2 GLU 541 1HG GLU 541 11.710 9.489 2.987 139 HG3 GLU 541 2HG GLU 541 11.414 8.088 2.069 140 H GLU 542 H GLU 542 7.921 11.548 3.052 141 HA GLU 542 HA GLU 542 9.355 13.279 4.801 142 HB2 GLU 542 1HB GLU 542 7.928 13.671 2.639 143 HB3 GLU 542 2HB GLU 542 6.527 13.579 3.696 144 HG2 GLU 542 1HG GLU 542 7.141 15.849 3.350 145 HG3 GLU 542 2HG GLU 542 7.483 15.468 5.040 146 H THR 543 H THR 543 7.179 10.843 5.440 147 HA THR 543 HA THR 543 6.641 11.992 8.085 148 HB THR 543 HB THR 543 4.455 10.889 8.256 149 HG1 THR 543 1HG THR 543 4.731 10.441 5.479 150 HG21 THR 543 3HG2 THR 543 3.132 12.384 6.877 151 HG22 THR 543 1HG2 THR 543 4.541 13.268 7.502 152 HG23 THR 543 2HG2 THR 543 4.516 12.721 5.822 153 H ARG 544 H ARG 544 5.398 9.083 8.359 154 HA ARG 544 HA ARG 544 7.857 7.641 8.669 155 HE ARG 544 HE ARG 544 9.738 11.620 11.440 156 HB2 ARG 544 1HB ARG 544 6.197 8.418 11.085 157 HB3 ARG 544 2HB ARG 544 7.310 7.062 11.083 158 HG2 ARG 544 1HG ARG 544 8.385 8.785 12.111 159 HG3 ARG 544 2HG ARG 544 9.214 8.578 10.573 160 HD2 ARG 544 1HD ARG 544 8.629 10.649 9.816 161 HD3 ARG 544 2HD ARG 544 7.092 10.641 10.678 162 HH11 ARG 544 2HH2 ARG 544 6.608 10.694 12.891 163 HH12 ARG 544 1HH2 ARG 544 6.955 11.487 14.377 164 HH21 ARG 544 2HH1 ARG 544 10.158 12.580 13.384 165 HH22 ARG 544 1HH1 ARG 544 9.279 12.238 14.822 166 H LYS 545 H LYS 545 5.509 7.443 7.000 167 HA LYS 545 HA LYS 545 3.625 5.595 8.369 168 HB2 LYS 545 1HB LYS 545 3.349 7.217 5.805 169 HB3 LYS 545 2HB LYS 545 2.129 6.118 6.447 170 HG2 LYS 545 1HG LYS 545 2.014 7.362 8.547 171 HG3 LYS 545 2HG LYS 545 3.288 8.468 8.043 172 HD2 LYS 545 1HD LYS 545 1.872 9.399 6.278 173 HD3 LYS 545 2HD LYS 545 0.628 8.189 6.653 174 HE2 LYS 545 1HE LYS 545 0.780 9.081 9.092 175 HE3 LYS 545 2HE LYS 545 1.650 10.464 8.423 176 HZ1 LYS 545 3HZ LYS 545 -0.773 10.751 8.726 177 HZ2 LYS 545 1HZ LYS 545 -0.291 11.071 7.203 178 HZ3 LYS 545 2HZ LYS 545 -1.054 9.637 7.533 179 H LEU 546 H LEU 546 3.578 3.551 7.919 180 HA LEU 546 HA LEU 546 5.545 2.218 6.395 181 HG LEU 546 HG LEU 546 4.196 -0.427 5.999 182 HB2 LEU 546 1HB LEU 546 4.326 1.393 8.447 183 HB3 LEU 546 2HB LEU 546 2.882 1.220 7.462 184 HD11 LEU 546 1HD1 LEU 546 6.496 0.166 6.569 185 HD12 LEU 546 2HD1 LEU 546 6.195 -0.123 8.297 186 HD13 LEU 546 3HD1 LEU 546 6.209 -1.470 7.149 187 HD21 LEU 546 3HD2 LEU 546 2.589 -1.130 7.770 188 HD22 LEU 546 1HD2 LEU 546 3.934 -2.266 7.595 189 HD23 LEU 546 2HD2 LEU 546 3.907 -1.112 8.958 190 H MET 547 H MET 547 5.555 1.745 4.282 191 HA MET 547 HA MET 547 3.075 2.004 2.636 192 HB2 MET 547 1HB MET 547 4.626 3.869 2.376 193 HB3 MET 547 2HB MET 547 5.939 2.767 1.986 194 HG2 MET 547 1HG MET 547 4.804 2.070 -0.056 195 HG3 MET 547 2HG MET 547 3.369 3.007 0.380 196 HE1 MET 547 3HE MET 547 3.232 4.346 -1.874 197 HE2 MET 547 1HE MET 547 4.653 5.052 -2.674 198 HE3 MET 547 2HE MET 547 4.546 3.290 -2.452 199 HA PRO 548 HA PRO 548 4.729 -2.280 2.342 200 HB2 PRO 548 1HB PRO 548 2.251 -3.501 1.779 201 HB3 PRO 548 2HB PRO 548 2.964 -3.288 3.410 202 HG2 PRO 548 1HG PRO 548 0.951 -1.630 1.931 203 HG3 PRO 548 2HG PRO 548 0.937 -2.137 3.653 204 HD2 PRO 548 1HD PRO 548 1.701 0.365 2.919 205 HD3 PRO 548 2HD PRO 548 2.558 -0.497 4.218 206 H ILE 549 H ILE 549 5.177 -3.594 0.423 207 HA ILE 549 HA ILE 549 4.170 -2.508 -2.153 208 HB ILE 549 HB ILE 549 7.009 -3.006 -1.394 209 HG12 ILE 549 1HG1 ILE 549 6.412 -0.451 -2.727 210 HG13 ILE 549 2HG1 ILE 549 5.317 -0.643 -1.388 211 HG21 ILE 549 1HG2 ILE 549 7.586 -2.290 -3.724 212 HG22 ILE 549 2HG2 ILE 549 6.845 -3.886 -3.634 213 HG23 ILE 549 3HG2 ILE 549 5.872 -2.494 -4.173 214 HD11 ILE 549 3HD1 ILE 549 7.094 -1.146 0.085 215 HD12 ILE 549 1HD1 ILE 549 8.287 -1.004 -1.249 216 HD13 ILE 549 2HD1 ILE 549 7.296 0.407 -0.821 217 H CYS 550 H CYS 550 3.528 -4.147 -3.549 218 HA CYS 550 HA CYS 550 4.011 -6.975 -3.062 219 HG CYS 550 HG CYS 550 2.818 -8.589 -4.567 220 HB2 CYS 550 1HB CYS 550 2.422 -5.327 -4.821 221 HB3 CYS 550 2HB CYS 550 3.414 -6.367 -5.835 222 H MET 551 H MET 551 6.039 -7.817 -3.305 223 HA MET 551 HA MET 551 8.192 -6.831 -4.868 224 HB2 MET 551 1HB MET 551 7.439 -9.703 -4.138 225 HB3 MET 551 2HB MET 551 8.976 -9.203 -4.854 226 HG2 MET 551 1HG MET 551 9.081 -7.570 -2.857 227 HG3 MET 551 2HG MET 551 7.902 -8.642 -2.099 228 HE1 MET 551 3HE MET 551 10.775 -8.039 -0.842 229 HE2 MET 551 1HE MET 551 9.583 -9.130 -0.118 230 HE3 MET 551 2HE MET 551 11.272 -9.665 -0.351 231 H ASP 552 H ASP 552 5.389 -8.668 -5.748 232 HA ASP 552 HA ASP 552 6.195 -9.959 -8.098 233 HB2 ASP 552 1HB ASP 552 4.058 -10.465 -7.156 234 HB3 ASP 552 2HB ASP 552 3.508 -8.790 -7.266 235 H VAL 553 H VAL 553 4.980 -6.604 -7.743 236 HA VAL 553 HA VAL 553 4.725 -6.306 -10.621 237 HB VAL 553 HB VAL 553 4.298 -4.287 -8.371 238 HG11 VAL 553 1HG1 VAL 553 3.322 -4.371 -11.255 239 HG12 VAL 553 2HG1 VAL 553 2.908 -3.128 -10.066 240 HG13 VAL 553 3HG1 VAL 553 4.572 -3.263 -10.654 241 HG21 VAL 553 3HG2 VAL 553 1.882 -4.856 -8.775 242 HG22 VAL 553 1HG2 VAL 553 2.413 -6.188 -9.831 243 HG23 VAL 553 2HG2 VAL 553 2.796 -6.217 -8.104 244 H ARG 554 H ARG 554 6.731 -6.501 -11.467 245 HA ARG 554 HA ARG 554 9.006 -5.228 -10.263 246 HE ARG 554 HE ARG 554 10.999 -8.361 -13.335 247 HB2 ARG 554 1HB ARG 554 8.750 -6.425 -13.029 248 HB3 ARG 554 2HB ARG 554 10.255 -5.776 -12.361 249 HG2 ARG 554 1HG ARG 554 9.152 -7.506 -10.349 250 HG3 ARG 554 2HG ARG 554 8.992 -8.360 -11.876 251 HD2 ARG 554 1HD ARG 554 11.624 -7.146 -10.917 252 HD3 ARG 554 2HD ARG 554 11.090 -8.769 -10.470 253 HH11 ARG 554 2HH2 ARG 554 13.319 -9.331 -10.704 254 HH12 ARG 554 1HH2 ARG 554 14.412 -9.968 -11.885 255 HH21 ARG 554 2HH1 ARG 554 12.328 -9.400 -14.664 256 HH22 ARG 554 1HH1 ARG 554 13.828 -10.096 -14.166 257 H ALA 555 H ALA 555 6.633 -3.922 -12.551 258 HA ALA 555 HA ALA 555 8.156 -1.579 -13.205 259 HB1 ALA 555 1HB ALA 555 5.132 -1.889 -13.010 260 HB2 ALA 555 2HB ALA 555 6.025 -0.644 -13.902 261 HB3 ALA 555 3HB ALA 555 6.111 -2.335 -14.427 262 H ILE 556 H ILE 556 6.714 -2.509 -10.156 263 HA ILE 556 HA ILE 556 6.786 0.314 -9.181 264 HB ILE 556 HB ILE 556 5.728 -2.249 -7.929 265 HG12 ILE 556 1HG1 ILE 556 4.411 0.415 -8.671 266 HG13 ILE 556 2HG1 ILE 556 4.291 -1.063 -9.610 267 HG21 ILE 556 1HG2 ILE 556 5.972 0.512 -6.640 268 HG22 ILE 556 2HG2 ILE 556 5.167 -0.911 -5.937 269 HG23 ILE 556 3HG2 ILE 556 6.894 -0.938 -6.180 270 HD11 ILE 556 3HD1 ILE 556 2.275 -0.844 -8.374 271 HD12 ILE 556 1HD1 ILE 556 3.181 -2.176 -7.628 272 HD13 ILE 556 2HD1 ILE 556 3.123 -0.573 -6.853 273 H MET 557 H MET 557 8.196 -2.968 -8.680 274 HA MET 557 HA MET 557 10.112 -2.297 -6.772 275 HB2 MET 557 1HB MET 557 10.447 -4.228 -9.102 276 HB3 MET 557 2HB MET 557 11.530 -4.120 -7.729 277 HG2 MET 557 1HG MET 557 8.675 -4.538 -6.984 278 HG3 MET 557 2HG MET 557 9.411 -5.835 -7.916 279 HE1 MET 557 3HE MET 557 10.924 -4.420 -3.787 280 HE2 MET 557 1HE MET 557 11.240 -3.438 -5.231 281 HE3 MET 557 2HE MET 557 9.563 -3.703 -4.676 282 H ALA 558 H ALA 558 10.506 -2.140 -10.351 283 HA ALA 558 HA ALA 558 13.096 -1.166 -10.454 284 HB1 ALA 558 1HB ALA 558 11.837 -1.966 -12.400 285 HB2 ALA 558 2HB ALA 558 10.700 -0.608 -12.275 286 HB3 ALA 558 3HB ALA 558 12.396 -0.323 -12.705 287 H THR 559 H THR 559 10.064 0.759 -10.341 288 HA THR 559 HA THR 559 11.220 3.338 -10.342 289 HB THR 559 HB THR 559 8.596 2.070 -9.602 290 HG1 THR 559 1HG THR 559 9.123 2.804 -11.704 291 HG21 THR 559 3HG2 THR 559 7.577 4.215 -8.972 292 HG22 THR 559 1HG2 THR 559 8.707 3.643 -7.748 293 HG23 THR 559 2HG2 THR 559 9.189 4.952 -8.848 294 H ILE 560 H ILE 560 10.397 1.232 -7.542 295 HA ILE 560 HA ILE 560 11.311 3.202 -5.638 296 HB ILE 560 HB ILE 560 10.661 0.230 -5.428 297 HG12 ILE 560 1HG1 ILE 560 9.196 2.796 -4.615 298 HG13 ILE 560 2HG1 ILE 560 8.772 1.734 -5.955 299 HG21 ILE 560 1HG2 ILE 560 11.194 2.152 -3.102 300 HG22 ILE 560 2HG2 ILE 560 10.738 0.444 -2.981 301 HG23 ILE 560 3HG2 ILE 560 12.311 0.869 -3.621 302 HD11 ILE 560 3HD1 ILE 560 8.547 1.098 -3.004 303 HD12 ILE 560 1HD1 ILE 560 7.249 1.282 -4.193 304 HD13 ILE 560 2HD1 ILE 560 8.353 -0.108 -4.298 305 H GLN 561 H GLN 561 12.807 0.118 -6.827 306 HA GLN 561 HA GLN 561 15.141 0.373 -5.278 307 HB2 GLN 561 1HB GLN 561 14.582 -1.112 -7.885 308 HB3 GLN 561 2HB GLN 561 16.072 -1.297 -6.943 309 HG2 GLN 561 1HG GLN 561 14.774 -1.892 -4.964 310 HG3 GLN 561 2HG GLN 561 13.273 -1.878 -5.858 311 HE21 GLN 561 1HE2 GLN 561 16.305 -3.507 -5.405 312 HE22 GLN 561 2HE2 GLN 561 16.002 -4.928 -6.394 313 H ARG 562 H ARG 562 14.344 2.080 -8.249 314 HA ARG 562 HA ARG 562 17.060 2.889 -8.836 315 HE ARG 562 HE ARG 562 13.665 7.043 -11.925 316 HB2 ARG 562 1HB ARG 562 15.623 2.964 -10.659 317 HB3 ARG 562 2HB ARG 562 14.226 3.459 -9.704 318 HG2 ARG 562 1HG ARG 562 14.906 5.619 -9.486 319 HG3 ARG 562 2HG ARG 562 16.504 5.339 -10.256 320 HD2 ARG 562 1HD ARG 562 15.438 4.878 -12.399 321 HD3 ARG 562 2HD ARG 562 13.843 4.847 -11.628 322 HH11 ARG 562 2HH2 ARG 562 17.042 6.457 -12.645 323 HH12 ARG 562 1HH2 ARG 562 17.559 8.091 -12.408 324 HH21 ARG 562 2HH1 ARG 562 14.226 9.165 -11.668 325 HH22 ARG 562 1HH1 ARG 562 15.817 9.759 -11.957 326 H LYS 563 H LYS 563 14.279 4.301 -6.955 327 HA LYS 563 HA LYS 563 15.872 6.640 -6.257 328 HB2 LYS 563 1HB LYS 563 13.426 6.804 -6.560 329 HB3 LYS 563 2HB LYS 563 13.160 5.664 -5.247 330 HG2 LYS 563 1HG LYS 563 13.975 7.149 -3.591 331 HG3 LYS 563 2HG LYS 563 14.808 8.155 -4.783 332 HD2 LYS 563 1HD LYS 563 12.837 9.219 -5.481 333 HD3 LYS 563 2HD LYS 563 11.795 7.992 -4.734 334 HE2 LYS 563 1HE LYS 563 12.018 8.847 -2.602 335 HE3 LYS 563 2HE LYS 563 13.680 9.390 -2.883 336 HZ1 LYS 563 3HZ LYS 563 11.265 10.807 -3.826 337 HZ2 LYS 563 1HZ LYS 563 12.229 11.218 -2.559 338 HZ3 LYS 563 2HZ LYS 563 12.824 11.288 -4.074 339 H TYR 564 H TYR 564 15.149 3.542 -4.836 340 HA TYR 564 HA TYR 564 16.813 4.187 -2.461 341 HD1 TYR 564 2HD TYR 564 12.887 3.873 -3.665 342 HD2 TYR 564 1HD TYR 564 14.593 4.762 0.214 343 HE1 TYR 564 2HE TYR 564 11.133 5.553 -3.281 344 HE2 TYR 564 1HE TYR 564 12.715 6.278 0.633 345 HH TYR 564 HH TYR 564 11.260 7.839 -0.690 346 HB2 TYR 564 1HB TYR 564 14.418 2.318 -2.570 347 HB3 TYR 564 2HB TYR 564 15.330 2.762 -1.163 348 H LYS 565 H LYS 565 18.565 3.411 -4.051 349 HA LYS 565 HA LYS 565 18.453 0.585 -4.739 350 HB2 LYS 565 1HB LYS 565 19.278 2.350 -6.317 351 HB3 LYS 565 2HB LYS 565 20.500 2.809 -5.143 352 HG2 LYS 565 1HG LYS 565 21.605 1.496 -6.748 353 HG3 LYS 565 2HG LYS 565 21.486 0.559 -5.293 354 HD2 LYS 565 1HD LYS 565 19.249 -0.348 -6.576 355 HD3 LYS 565 2HD LYS 565 20.149 0.181 -7.983 356 HE2 LYS 565 1HE LYS 565 20.952 -1.901 -5.905 357 HE3 LYS 565 2HE LYS 565 20.511 -2.190 -7.587 358 HZ1 LYS 565 3HZ LYS 565 22.975 -0.921 -6.595 359 HZ2 LYS 565 1HZ LYS 565 22.803 -2.337 -7.417 360 HZ3 LYS 565 2HZ LYS 565 22.544 -0.951 -8.213 361 H GLY 566 H GLY 566 20.043 2.549 -2.226 362 HA2 GLY 566 1HA GLY 566 22.163 0.817 -1.680 363 HA3 GLY 566 2HA GLY 566 21.415 1.891 -0.489 364 H ILE 567 H ILE 567 18.804 0.693 -0.651 365 HA ILE 567 HA ILE 567 19.021 -1.520 1.180 366 HB ILE 567 HB ILE 567 17.395 0.077 1.535 367 HG12 ILE 567 1HG1 ILE 567 16.655 -2.436 1.692 368 HG13 ILE 567 2HG1 ILE 567 15.629 -1.064 2.036 369 HG21 ILE 567 1HG2 ILE 567 16.265 -0.241 -1.265 370 HG22 ILE 567 2HG2 ILE 567 15.500 0.654 0.051 371 HG23 ILE 567 3HG2 ILE 567 17.070 1.184 -0.600 372 HD11 ILE 567 3HD1 ILE 567 14.558 -2.899 0.595 373 HD12 ILE 567 1HD1 ILE 567 14.409 -1.235 0.006 374 HD13 ILE 567 2HD1 ILE 567 15.609 -2.317 -0.727 375 H LYS 568 H LYS 568 18.004 -3.610 0.876 376 HA LYS 568 HA LYS 568 17.965 -4.585 -1.947 377 HB2 LYS 568 1HB LYS 568 19.144 -5.922 0.524 378 HB3 LYS 568 2HB LYS 568 18.684 -6.814 -0.922 379 HG2 LYS 568 1HG LYS 568 20.583 -6.323 -1.943 380 HG3 LYS 568 2HG LYS 568 20.264 -4.609 -1.836 381 HD2 LYS 568 1HD LYS 568 21.537 -6.222 0.415 382 HD3 LYS 568 2HD LYS 568 22.469 -5.413 -0.858 383 HE2 LYS 568 1HE LYS 568 21.707 -3.246 -0.235 384 HE3 LYS 568 2HE LYS 568 20.469 -3.900 0.844 385 HZ1 LYS 568 3HZ LYS 568 22.423 -3.063 2.006 386 HZ2 LYS 568 1HZ LYS 568 22.072 -4.637 2.339 387 HZ3 LYS 568 2HZ LYS 568 23.351 -4.253 1.349 388 H ILE 569 H ILE 569 16.366 -6.284 -2.303 389 HA ILE 569 HA ILE 569 14.003 -5.630 -0.730 390 HB ILE 569 HB ILE 569 14.399 -7.253 -3.276 391 HG12 ILE 569 1HG1 ILE 569 15.094 -5.025 -3.718 392 HG13 ILE 569 2HG1 ILE 569 13.469 -5.190 -4.362 393 HG21 ILE 569 1HG2 ILE 569 11.852 -6.237 -1.964 394 HG22 ILE 569 2HG2 ILE 569 11.972 -6.859 -3.629 395 HG23 ILE 569 3HG2 ILE 569 12.359 -7.920 -2.292 396 HD11 ILE 569 3HD1 ILE 569 12.603 -4.058 -2.283 397 HD12 ILE 569 1HD1 ILE 569 14.280 -3.740 -1.824 398 HD13 ILE 569 2HD1 ILE 569 13.624 -3.032 -3.306 399 H GLN 570 H GLN 570 13.241 -6.781 0.868 400 HA GLN 570 HA GLN 570 13.896 -9.594 1.202 401 HB2 GLN 570 1HB GLN 570 14.609 -9.287 3.505 402 HB3 GLN 570 2HB GLN 570 15.663 -8.437 2.389 403 HG2 GLN 570 1HG GLN 570 13.824 -6.467 3.036 404 HG3 GLN 570 2HG GLN 570 13.902 -7.376 4.535 405 HE21 GLN 570 1HE2 GLN 570 15.594 -5.106 2.470 406 HE22 GLN 570 2HE2 GLN 570 17.057 -4.988 3.361 407 H GLU 571 H GLU 571 12.163 -10.705 2.238 408 HA GLU 571 HA GLU 571 9.588 -9.448 1.956 409 HB2 GLU 571 1HB GLU 571 10.844 -12.157 2.512 410 HB3 GLU 571 2HB GLU 571 9.215 -11.897 3.050 411 HG2 GLU 571 1HG GLU 571 8.321 -11.691 0.896 412 HG3 GLU 571 2HG GLU 571 9.921 -11.425 0.183 413 H GLY 572 H GLY 572 9.577 -7.813 3.598 414 HA2 GLY 572 1HA GLY 572 8.614 -8.375 6.127 415 HA3 GLY 572 2HA GLY 572 10.380 -8.384 6.280 416 H ILE 573 H ILE 573 9.823 -6.634 7.688 417 HA ILE 573 HA ILE 573 9.009 -3.979 6.892 418 HB ILE 573 HB ILE 573 10.682 -5.159 9.148 419 HG12 ILE 573 1HG1 ILE 573 8.089 -5.588 8.958 420 HG13 ILE 573 2HG1 ILE 573 8.862 -5.261 10.486 421 HG21 ILE 573 1HG2 ILE 573 11.426 -2.875 8.881 422 HG22 ILE 573 2HG2 ILE 573 9.754 -2.293 8.918 423 HG23 ILE 573 3HG2 ILE 573 10.489 -3.043 10.359 424 HD11 ILE 573 3HD1 ILE 573 6.746 -4.081 10.302 425 HD12 ILE 573 1HD1 ILE 573 8.062 -2.927 10.438 426 HD13 ILE 573 2HD1 ILE 573 7.311 -3.226 8.844 427 H VAL 574 H VAL 574 10.313 -2.413 6.011 428 HA VAL 574 HA VAL 574 13.254 -2.740 6.085 429 HB VAL 574 HB VAL 574 11.583 -2.182 3.638 430 HG11 VAL 574 1HG1 VAL 574 13.584 -1.567 2.432 431 HG12 VAL 574 2HG1 VAL 574 13.416 -0.451 3.771 432 HG13 VAL 574 3HG1 VAL 574 14.589 -1.798 3.881 433 HG21 VAL 574 3HG2 VAL 574 12.045 -4.526 3.942 434 HG22 VAL 574 1HG2 VAL 574 13.182 -3.962 2.714 435 HG23 VAL 574 2HG2 VAL 574 13.730 -4.195 4.375 436 H ASP 575 H ASP 575 13.883 -1.106 7.302 437 HA ASP 575 HA ASP 575 12.583 1.591 7.263 438 HB2 ASP 575 1HB ASP 575 13.034 1.174 9.495 439 HB3 ASP 575 2HB ASP 575 14.376 0.086 9.121 440 H TYR 576 H TYR 576 13.123 2.410 5.259 441 HA TYR 576 HA TYR 576 15.875 3.228 5.027 442 HD1 TYR 576 1HD TYR 576 18.290 1.808 4.023 443 HD2 TYR 576 2HD TYR 576 15.411 2.903 1.043 444 HE1 TYR 576 1HE TYR 576 20.134 2.667 2.574 445 HE2 TYR 576 2HE TYR 576 17.238 3.956 -0.343 446 HH TYR 576 HH TYR 576 19.705 4.656 -0.183 447 HB2 TYR 576 1HB TYR 576 15.991 0.935 4.013 448 HB3 TYR 576 2HB TYR 576 14.804 1.432 2.822 449 H GLY 577 H GLY 577 14.974 5.277 5.178 450 HA2 GLY 577 1HA GLY 577 14.432 7.280 4.122 451 HA3 GLY 577 2HA GLY 577 13.911 6.408 2.688 452 H VAL 578 H VAL 578 11.850 4.961 2.939 453 HA VAL 578 HA VAL 578 9.851 5.997 4.729 454 HB VAL 578 HB VAL 578 8.952 6.219 2.539 455 HG11 VAL 578 1HG1 VAL 578 9.527 5.395 0.581 456 HG12 VAL 578 2HG1 VAL 578 10.700 6.364 1.385 457 HG13 VAL 578 3HG1 VAL 578 10.970 4.619 1.392 458 HG21 VAL 578 3HG2 VAL 578 7.723 4.369 3.608 459 HG22 VAL 578 1HG2 VAL 578 7.676 4.475 1.842 460 HG23 VAL 578 2HG2 VAL 578 8.777 3.306 2.654 461 H ARG 579 H ARG 579 8.883 4.477 5.917 462 HA ARG 579 HA ARG 579 10.112 1.902 6.466 463 HE ARG 579 HE ARG 579 7.328 1.797 10.630 464 HB2 ARG 579 1HB ARG 579 7.453 3.205 7.160 465 HB3 ARG 579 2HB ARG 579 8.004 1.632 7.818 466 HG2 ARG 579 1HG ARG 579 10.014 2.789 8.759 467 HG3 ARG 579 2HG ARG 579 9.392 4.326 8.182 468 HD2 ARG 579 1HD ARG 579 8.683 4.308 10.415 469 HD3 ARG 579 2HD ARG 579 7.238 3.801 9.529 470 HH11 ARG 579 2HH2 ARG 579 10.651 3.195 10.773 471 HH12 ARG 579 1HH2 ARG 579 11.147 2.155 12.039 472 HH21 ARG 579 2HH1 ARG 579 8.042 0.412 12.249 473 HH22 ARG 579 1HH1 ARG 579 9.594 0.614 12.967 474 H PHE 580 H PHE 580 10.154 0.603 4.655 475 HA PHE 580 HA PHE 580 7.663 0.357 3.014 476 HD1 PHE 580 1HD PHE 580 7.630 1.337 0.989 477 HD2 PHE 580 2HD PHE 580 11.898 1.187 1.710 478 HE1 PHE 580 1HE PHE 580 8.097 3.592 -0.045 479 HE2 PHE 580 2HE PHE 580 12.229 2.880 -0.002 480 HZ PHE 580 HZ PHE 580 10.267 4.082 -0.909 481 HB2 PHE 580 1HB PHE 580 10.501 -0.609 2.569 482 HB3 PHE 580 2HB PHE 580 9.153 -1.072 1.555 483 H PHE 581 H PHE 581 6.997 -1.924 2.546 484 HA PHE 581 HA PHE 581 8.013 -3.976 4.339 485 HD1 PHE 581 2HD PHE 581 7.073 -5.166 6.818 486 HD2 PHE 581 1HD PHE 581 4.022 -5.363 3.782 487 HE1 PHE 581 2HE PHE 581 6.580 -7.476 7.497 488 HE2 PHE 581 1HE PHE 581 3.499 -7.691 4.490 489 HZ PHE 581 HZ PHE 581 4.776 -8.754 6.331 490 HB2 PHE 581 1HB PHE 581 6.220 -3.133 5.726 491 HB3 PHE 581 2HB PHE 581 5.068 -3.211 4.399 492 H PHE 582 H PHE 582 8.668 -5.340 2.735 493 HA PHE 582 HA PHE 582 7.153 -5.357 0.202 494 HD1 PHE 582 2HD PHE 582 8.796 -4.610 -1.933 495 HD2 PHE 582 1HD PHE 582 11.016 -4.869 1.750 496 HE1 PHE 582 2HE PHE 582 9.977 -2.488 -2.492 497 HE2 PHE 582 1HE PHE 582 12.214 -2.767 1.147 498 HZ PHE 582 HZ PHE 582 11.778 -1.619 -0.983 499 HB2 PHE 582 1HB PHE 582 9.696 -6.745 1.011 500 HB3 PHE 582 2HB PHE 582 8.979 -6.806 -0.577 501 H TYR 583 H TYR 583 5.791 -6.969 -0.416 502 HA TYR 583 HA TYR 583 5.663 -9.489 1.153 503 HD1 TYR 583 1HD TYR 583 1.922 -9.170 -0.749 504 HD2 TYR 583 2HD TYR 583 3.655 -5.654 1.060 505 HE1 TYR 583 1HE TYR 583 0.481 -7.764 -2.131 506 HE2 TYR 583 2HE TYR 583 2.098 -4.242 -0.276 507 HH TYR 583 HH TYR 583 0.252 -5.236 -2.923 508 HB2 TYR 583 1HB TYR 583 3.277 -9.304 1.354 509 HB3 TYR 583 2HB TYR 583 3.983 -7.875 2.066 510 H THR 584 H THR 584 3.811 -10.858 0.093 511 HA THR 584 HA THR 584 4.710 -11.412 -2.638 512 HB THR 584 HB THR 584 3.937 -13.736 -1.596 513 HG1 THR 584 1HG THR 584 4.123 -13.792 0.642 514 HG21 THR 584 3HG2 THR 584 6.240 -13.188 -2.339 515 HG22 THR 584 1HG2 THR 584 6.523 -12.254 -0.859 516 HG23 THR 584 2HG2 THR 584 6.300 -14.015 -0.774 517 H SER 585 H SER 585 3.153 -11.360 -4.256 518 HA SER 585 HA SER 585 0.546 -10.481 -3.647 519 HG SER 585 HG SER 585 1.454 -11.553 -7.415 520 HB2 SER 585 1HB SER 585 0.201 -10.507 -6.010 521 HB3 SER 585 2HB SER 585 1.874 -10.038 -5.728 522 H LYS 586 H LYS 586 1.781 -13.634 -3.648 523 HA LYS 586 HA LYS 586 -0.696 -15.076 -4.241 524 HB2 LYS 586 1HB LYS 586 1.986 -16.050 -3.185 525 HB3 LYS 586 2HB LYS 586 0.670 -17.041 -3.794 526 HG2 LYS 586 1HG LYS 586 1.890 -17.030 -5.689 527 HG3 LYS 586 2HG LYS 586 1.003 -15.527 -5.969 528 HD2 LYS 586 1HD LYS 586 3.251 -15.050 -6.545 529 HD3 LYS 586 2HD LYS 586 3.042 -14.315 -4.963 530 HE2 LYS 586 1HE LYS 586 5.129 -15.365 -4.820 531 HE3 LYS 586 2HE LYS 586 4.052 -16.477 -3.965 532 HZ1 LYS 586 3HZ LYS 586 5.642 -17.478 -5.531 533 HZ2 LYS 586 1HZ LYS 586 4.079 -17.901 -5.881 534 HZ3 LYS 586 2HZ LYS 586 4.886 -16.793 -6.807 535 H GLU 587 H GLU 587 0.715 -13.565 -1.458 536 HA GLU 587 HA GLU 587 -0.181 -15.538 0.433 537 HB2 GLU 587 1HB GLU 587 1.386 -13.103 0.538 538 HB3 GLU 587 2HB GLU 587 0.045 -12.931 1.668 539 HG2 GLU 587 1HG GLU 587 1.804 -13.926 2.873 540 HG3 GLU 587 2HG GLU 587 0.631 -15.191 2.610 541 HA PRO 588 HA PRO 588 -4.471 -14.618 0.362 542 HB2 PRO 588 1HB PRO 588 -4.666 -14.841 3.322 543 HB3 PRO 588 2HB PRO 588 -5.445 -15.836 2.069 544 HG2 PRO 588 1HG PRO 588 -3.368 -16.762 3.615 545 HG3 PRO 588 2HG PRO 588 -3.628 -17.263 1.927 546 HD2 PRO 588 1HD PRO 588 -1.713 -15.195 3.002 547 HD3 PRO 588 2HD PRO 588 -1.394 -16.436 1.780 548 H VAL 589 H VAL 589 -5.478 -12.647 0.248 549 HA VAL 589 HA VAL 589 -4.435 -10.272 1.315 550 HB VAL 589 HB VAL 589 -7.391 -10.902 0.726 551 HG11 VAL 589 1HG1 VAL 589 -5.930 -8.218 0.885 552 HG12 VAL 589 2HG1 VAL 589 -7.601 -8.451 0.327 553 HG13 VAL 589 3HG1 VAL 589 -7.176 -8.813 1.998 554 HG21 VAL 589 3HG2 VAL 589 -6.953 -9.869 -1.474 555 HG22 VAL 589 1HG2 VAL 589 -5.255 -9.660 -1.033 556 HG23 VAL 589 2HG2 VAL 589 -5.953 -11.298 -1.251 557 H ALA 590 H ALA 590 -6.781 -12.534 2.786 558 HA ALA 590 HA ALA 590 -7.323 -11.157 5.163 559 HB1 ALA 590 1HB ALA 590 -7.749 -13.396 6.139 560 HB2 ALA 590 2HB ALA 590 -8.435 -13.257 4.498 561 HB3 ALA 590 3HB ALA 590 -6.935 -14.160 4.760 562 H SER 591 H SER 591 -4.641 -13.520 4.626 563 HA SER 591 HA SER 591 -3.578 -13.338 7.250 564 HG SER 591 HG SER 591 -1.370 -15.778 6.107 565 HB2 SER 591 1HB SER 591 -3.301 -15.069 5.262 566 HB3 SER 591 2HB SER 591 -1.937 -14.036 4.798 567 H ILE 592 H ILE 592 -2.547 -11.757 4.135 568 HA ILE 592 HA ILE 592 -0.453 -10.340 5.217 569 HB ILE 592 HB ILE 592 -1.543 -10.977 2.734 570 HG12 ILE 592 1HG1 ILE 592 0.804 -10.899 3.309 571 HG13 ILE 592 2HG1 ILE 592 0.488 -10.037 1.817 572 HG21 ILE 592 1HG2 ILE 592 -2.995 -9.109 2.498 573 HG22 ILE 592 2HG2 ILE 592 -1.685 -7.974 2.855 574 HG23 ILE 592 3HG2 ILE 592 -1.601 -8.976 1.398 575 HD11 ILE 592 3HD1 ILE 592 2.001 -8.693 3.113 576 HD12 ILE 592 1HD1 ILE 592 0.462 -7.865 3.225 577 HD13 ILE 592 2HD1 ILE 592 1.007 -8.857 4.579 578 H ILE 593 H ILE 593 -3.884 -9.274 4.771 579 HA ILE 593 HA ILE 593 -3.454 -6.640 5.760 580 HB ILE 593 HB ILE 593 -5.903 -8.413 5.481 581 HG12 ILE 593 1HG1 ILE 593 -4.834 -5.885 4.136 582 HG13 ILE 593 2HG1 ILE 593 -4.943 -7.479 3.426 583 HG21 ILE 593 1HG2 ILE 593 -6.336 -7.068 7.457 584 HG22 ILE 593 2HG2 ILE 593 -5.855 -5.589 6.602 585 HG23 ILE 593 3HG2 ILE 593 -7.321 -6.488 6.133 586 HD11 ILE 593 3HD1 ILE 593 -7.492 -7.285 3.663 587 HD12 ILE 593 1HD1 ILE 593 -7.221 -5.569 4.040 588 HD13 ILE 593 2HD1 ILE 593 -6.709 -6.212 2.478 589 H THR 594 H THR 594 -4.561 -9.587 7.526 590 HA THR 594 HA THR 594 -4.459 -8.705 10.073 591 HB THR 594 HB THR 594 -3.267 -11.379 9.267 592 HG1 THR 594 1HG THR 594 -5.241 -11.089 8.205 593 HG21 THR 594 3HG2 THR 594 -3.180 -10.866 11.701 594 HG22 THR 594 1HG2 THR 594 -4.923 -10.563 11.691 595 HG23 THR 594 2HG2 THR 594 -4.290 -12.185 11.331 596 H LYS 595 H LYS 595 -1.368 -9.012 8.131 597 HA LYS 595 HA LYS 595 0.345 -8.710 10.464 598 HB2 LYS 595 1HB LYS 595 0.733 -8.276 7.465 599 HB3 LYS 595 2HB LYS 595 1.828 -7.674 8.644 600 HG2 LYS 595 1HG LYS 595 2.906 -9.593 8.297 601 HG3 LYS 595 2HG LYS 595 1.841 -10.152 9.578 602 HD2 LYS 595 1HD LYS 595 0.402 -10.532 7.149 603 HD3 LYS 595 2HD LYS 595 2.067 -10.953 6.766 604 HE2 LYS 595 1HE LYS 595 1.028 -12.965 7.485 605 HE3 LYS 595 2HE LYS 595 2.067 -12.464 8.813 606 HZ1 LYS 595 3HZ LYS 595 -0.125 -13.162 9.518 607 HZ2 LYS 595 1HZ LYS 595 0.106 -11.589 9.935 608 HZ3 LYS 595 2HZ LYS 595 -0.840 -11.987 8.623 609 H LEU 596 H LEU 596 -0.978 -6.498 8.018 610 HA LEU 596 HA LEU 596 0.013 -4.062 9.078 611 HG LEU 596 HG LEU 596 -0.829 -5.542 6.282 612 HB2 LEU 596 1HB LEU 596 -2.628 -4.439 7.619 613 HB3 LEU 596 2HB LEU 596 -1.659 -2.980 7.713 614 HD11 LEU 596 1HD1 LEU 596 -1.251 -4.312 4.205 615 HD12 LEU 596 2HD1 LEU 596 -2.727 -4.448 5.168 616 HD13 LEU 596 3HD1 LEU 596 -1.835 -2.912 5.132 617 HD21 LEU 596 3HD2 LEU 596 0.447 -2.799 6.109 618 HD22 LEU 596 1HD2 LEU 596 1.058 -4.069 7.149 619 HD23 LEU 596 2HD2 LEU 596 1.032 -4.313 5.387 620 H ASN 597 H ASN 597 -2.976 -5.809 9.762 621 HA ASN 597 HA ASN 597 -4.238 -3.893 11.384 622 HB2 ASN 597 1HB ASN 597 -4.434 -6.932 11.649 623 HB3 ASN 597 2HB ASN 597 -5.584 -5.761 12.292 624 HD21 ASN 597 1HD2 ASN 597 -6.896 -7.418 10.865 625 HD22 ASN 597 2HD2 ASN 597 -7.052 -7.029 9.161 626 H SER 598 H SER 598 -1.875 -6.428 12.276 627 HA SER 598 HA SER 598 -2.265 -6.186 15.092 628 HG SER 598 HG SER 598 0.262 -6.974 12.566 629 HB2 SER 598 1HB SER 598 -0.318 -7.544 15.322 630 HB3 SER 598 2HB SER 598 -1.249 -8.137 13.953 631 H LEU 599 H LEU 599 0.149 -4.856 12.895 632 HA LEU 599 HA LEU 599 1.634 -3.263 14.670 633 HG LEU 599 HG LEU 599 1.934 -5.125 12.275 634 HB2 LEU 599 1HB LEU 599 1.001 -2.759 11.730 635 HB3 LEU 599 2HB LEU 599 2.384 -2.111 12.603 636 HD11 LEU 599 1HD1 LEU 599 1.996 -4.009 10.056 637 HD12 LEU 599 2HD1 LEU 599 3.583 -3.330 10.488 638 HD13 LEU 599 3HD1 LEU 599 3.340 -5.108 10.381 639 HD21 LEU 599 3HD2 LEU 599 3.542 -4.440 14.017 640 HD22 LEU 599 1HD2 LEU 599 4.334 -5.267 12.665 641 HD23 LEU 599 2HD2 LEU 599 4.461 -3.501 12.814 642 H ASN 600 H ASN 600 -1.195 -2.530 12.682 643 HA ASN 600 HA ASN 600 -2.934 -1.125 12.933 644 HB2 ASN 600 1HB ASN 600 -2.773 -1.681 15.399 645 HB3 ASN 600 2HB ASN 600 -1.886 -0.166 15.594 646 HD21 ASN 600 1HD2 ASN 600 -3.268 1.463 16.302 647 HD22 ASN 600 2HD2 ASN 600 -4.937 1.644 15.804 648 H GLU 601 H GLU 601 0.099 -0.272 12.380 649 HA GLU 601 HA GLU 601 0.110 2.466 12.826 650 HB2 GLU 601 1HB GLU 601 1.748 0.494 11.214 651 HB3 GLU 601 2HB GLU 601 2.099 2.199 11.028 652 HG2 GLU 601 1HG GLU 601 1.968 0.858 13.736 653 HG3 GLU 601 2HG GLU 601 3.464 1.014 12.791 654 HA PRO 602 HA PRO 602 -2.325 4.072 9.617 655 HB2 PRO 602 1HB PRO 602 -1.512 6.675 9.435 656 HB3 PRO 602 2HB PRO 602 -2.345 5.962 10.851 657 HG2 PRO 602 1HG PRO 602 0.643 6.399 10.445 658 HG3 PRO 602 2HG PRO 602 -0.355 6.815 11.877 659 HD2 PRO 602 1HD PRO 602 1.106 4.488 11.718 660 HD3 PRO 602 2HD PRO 602 -0.454 4.605 12.594 661 H LEU 603 H LEU 603 -1.966 3.122 7.754 662 HA LEU 603 HA LEU 603 0.577 3.252 6.329 663 HG LEU 603 HG LEU 603 -0.799 1.123 7.527 664 HB2 LEU 603 1HB LEU 603 -2.091 2.153 5.373 665 HB3 LEU 603 2HB LEU 603 -0.554 1.805 4.636 666 HD11 LEU 603 1HD1 LEU 603 -2.326 -0.449 5.422 667 HD12 LEU 603 2HD1 LEU 603 -2.064 -0.908 7.123 668 HD13 LEU 603 3HD1 LEU 603 -3.032 0.512 6.747 669 HD21 LEU 603 3HD2 LEU 603 0.166 -0.534 5.188 670 HD22 LEU 603 1HD2 LEU 603 1.188 0.613 6.072 671 HD23 LEU 603 2HD2 LEU 603 0.490 -0.765 6.925 672 H VAL 604 H VAL 604 0.690 3.665 3.925 673 HA VAL 604 HA VAL 604 -1.432 5.215 2.695 674 HB VAL 604 HB VAL 604 -0.086 7.031 3.491 675 HG11 VAL 604 1HG1 VAL 604 2.422 5.856 2.241 676 HG12 VAL 604 2HG1 VAL 604 2.276 7.391 3.109 677 HG13 VAL 604 3HG1 VAL 604 2.073 5.864 3.972 678 HG21 VAL 604 3HG2 VAL 604 0.659 6.610 0.579 679 HG22 VAL 604 1HG2 VAL 604 -0.871 7.278 1.174 680 HG23 VAL 604 2HG2 VAL 604 0.651 8.143 1.467 681 H THR 605 H THR 605 -1.853 3.768 0.982 682 HA THR 605 HA THR 605 0.270 2.847 -0.702 683 HB THR 605 HB THR 605 0.641 1.300 1.286 684 HG1 THR 605 1HG THR 605 1.182 0.666 -0.771 685 HG21 THR 605 3HG2 THR 605 -1.671 1.077 2.086 686 HG22 THR 605 1HG2 THR 605 -2.087 0.126 0.638 687 HG23 THR 605 2HG2 THR 605 -0.894 -0.461 1.803 688 H MET 606 H MET 606 -0.660 1.609 -2.624 689 HA MET 606 HA MET 606 -3.440 2.264 -3.078 690 HB2 MET 606 1HB MET 606 -2.540 0.350 -5.008 691 HB3 MET 606 2HB MET 606 -3.027 2.013 -5.188 692 HG2 MET 606 1HG MET 606 -1.040 2.006 -6.157 693 HG3 MET 606 2HG MET 606 -0.653 2.685 -4.604 694 HE1 MET 606 3HE MET 606 -1.144 -1.344 -5.167 695 HE2 MET 606 1HE MET 606 -0.635 -0.703 -6.740 696 HE3 MET 606 2HE MET 606 0.463 -1.723 -5.795 697 HA PRO 607 HA PRO 607 -5.573 -0.859 -1.389 698 HB2 PRO 607 1HB PRO 607 -7.134 -2.062 -3.424 699 HB3 PRO 607 2HB PRO 607 -7.520 -0.619 -2.455 700 HG2 PRO 607 1HG PRO 607 -6.477 -0.807 -5.231 701 HG3 PRO 607 2HG PRO 607 -7.429 0.514 -4.479 702 HD2 PRO 607 1HD PRO 607 -4.747 0.567 -5.046 703 HD3 PRO 607 2HD PRO 607 -5.456 1.575 -3.765 704 H ILE 608 H ILE 608 -4.775 -2.560 -0.474 705 HA ILE 608 HA ILE 608 -2.881 -4.282 -1.426 706 HB ILE 608 HB ILE 608 -4.904 -4.550 0.840 707 HG12 ILE 608 1HG1 ILE 608 -3.507 -2.563 1.065 708 HG13 ILE 608 2HG1 ILE 608 -3.166 -3.739 2.311 709 HG21 ILE 608 1HG2 ILE 608 -2.478 -6.255 0.272 710 HG22 ILE 608 2HG2 ILE 608 -3.185 -6.102 1.900 711 HG23 ILE 608 3HG2 ILE 608 -4.144 -6.768 0.574 712 HD11 ILE 608 3HD1 ILE 608 -1.415 -3.270 -0.135 713 HD12 ILE 608 1HD1 ILE 608 -1.126 -2.676 1.507 714 HD13 ILE 608 2HD1 ILE 608 -1.090 -4.401 1.199 715 H GLY 609 H GLY 609 -6.366 -5.249 -0.988 716 HA2 GLY 609 1HA GLY 609 -5.851 -7.657 -2.611 717 HA3 GLY 609 2HA GLY 609 -7.346 -7.211 -1.756 718 H TYR 610 H TYR 610 -5.272 -6.239 -4.483 719 HA TYR 610 HA TYR 610 -7.727 -5.563 -6.065 720 HD1 TYR 610 1HD TYR 610 -8.949 -4.182 -7.042 721 HD2 TYR 610 2HD TYR 610 -5.255 -1.958 -7.589 722 HE1 TYR 610 1HE TYR 610 -10.060 -2.685 -8.525 723 HE2 TYR 610 2HE TYR 610 -6.355 -0.636 -9.369 724 HH TYR 610 HH TYR 610 -9.636 -1.366 -10.491 725 HB2 TYR 610 1HB TYR 610 -6.704 -3.488 -5.141 726 HB3 TYR 610 2HB TYR 610 -5.252 -3.812 -6.076 727 H VAL 611 H VAL 611 -6.216 -4.910 -8.392 728 HA VAL 611 HA VAL 611 -5.938 -6.896 -10.007 729 HB VAL 611 HB VAL 611 -3.946 -5.726 -11.049 730 HG11 VAL 611 1HG1 VAL 611 -6.306 -3.974 -10.204 731 HG12 VAL 611 2HG1 VAL 611 -5.217 -3.674 -11.577 732 HG13 VAL 611 3HG1 VAL 611 -6.259 -5.098 -11.583 733 HG21 VAL 611 3HG2 VAL 611 -4.140 -3.879 -8.625 734 HG22 VAL 611 1HG2 VAL 611 -2.719 -4.775 -9.212 735 HG23 VAL 611 2HG2 VAL 611 -3.374 -3.458 -10.154 736 H THR 612 H THR 612 -3.095 -6.250 -7.899 737 HA THR 612 HA THR 612 -1.550 -8.451 -8.738 738 HB THR 612 HB THR 612 -0.343 -8.133 -6.581 739 HG1 THR 612 1HG THR 612 -2.053 -5.922 -6.034 740 HG21 THR 612 3HG2 THR 612 0.525 -5.950 -7.081 741 HG22 THR 612 1HG2 THR 612 0.115 -6.743 -8.609 742 HG23 THR 612 2HG2 THR 612 -0.943 -5.476 -7.957 743 H HIS 613 H HIS 613 -3.913 -8.248 -6.064 744 HA HIS 613 HA HIS 613 -3.589 -11.050 -5.354 745 HD1 HIS 613 1HD HIS 613 -3.019 -7.816 -2.877 746 HD2 HIS 613 2HD HIS 613 -3.915 -11.947 -2.540 747 HE1 HIS 613 1HE HIS 613 -1.483 -8.788 -1.035 748 HE2 HIS 613 2HE HIS 613 -2.054 -11.371 -0.924 749 HB2 HIS 613 1HB HIS 613 -5.153 -8.716 -4.312 750 HB3 HIS 613 2HB HIS 613 -5.651 -10.344 -3.871 751 H GLY 614 H GLY 614 -4.868 -9.759 -8.075 752 HA2 GLY 614 1HA GLY 614 -6.496 -10.328 -9.530 753 HA3 GLY 614 2HA GLY 614 -6.563 -11.912 -8.725 754 H PHE 615 H PHE 615 -7.321 -8.580 -7.593 755 HA PHE 615 HA PHE 615 -10.123 -9.387 -6.906 756 HD1 PHE 615 1HD PHE 615 -8.653 -10.958 -5.371 757 HD2 PHE 615 2HD PHE 615 -9.796 -7.580 -2.980 758 HE1 PHE 615 1HE PHE 615 -8.910 -12.428 -3.397 759 HE2 PHE 615 2HE PHE 615 -9.959 -9.003 -0.992 760 HZ PHE 615 HZ PHE 615 -9.523 -11.470 -1.192 761 HB2 PHE 615 1HB PHE 615 -8.016 -7.841 -5.450 762 HB3 PHE 615 2HB PHE 615 -9.688 -7.348 -5.288 763 H ASN 616 H ASN 616 -11.479 -7.579 -6.848 764 HA ASN 616 HA ASN 616 -11.096 -5.601 -9.087 765 HB2 ASN 616 1HB ASN 616 -13.622 -6.420 -7.504 766 HB3 ASN 616 2HB ASN 616 -13.621 -5.403 -8.920 767 HD21 ASN 616 1HD2 ASN 616 -14.715 -8.238 -8.053 768 HD22 ASN 616 2HD2 ASN 616 -14.182 -9.325 -9.283 769 H LEU 617 H LEU 617 -12.425 -3.571 -8.700 770 HA LEU 617 HA LEU 617 -11.145 -2.191 -6.573 771 HG LEU 617 HG LEU 617 -12.781 1.055 -7.510 772 HB2 LEU 617 1HB LEU 617 -12.104 -1.228 -8.805 773 HB3 LEU 617 2HB LEU 617 -13.673 -1.259 -8.014 774 HD11 LEU 617 1HD1 LEU 617 -13.803 -0.401 -5.878 775 HD12 LEU 617 2HD1 LEU 617 -12.170 -0.322 -5.178 776 HD13 LEU 617 3HD1 LEU 617 -13.164 1.194 -5.590 777 HD21 LEU 617 3HD2 LEU 617 -10.404 0.283 -8.241 778 HD22 LEU 617 1HD2 LEU 617 -10.640 1.589 -7.079 779 HD23 LEU 617 2HD2 LEU 617 -10.223 -0.036 -6.520 780 H GLU 618 H GLU 618 -14.483 -3.128 -7.075 781 HA GLU 618 HA GLU 618 -15.775 -2.699 -4.730 782 HB2 GLU 618 1HB GLU 618 -16.559 -3.508 -6.948 783 HB3 GLU 618 2HB GLU 618 -15.851 -5.094 -6.621 784 HG2 GLU 618 1HG GLU 618 -17.474 -5.399 -4.755 785 HG3 GLU 618 2HG GLU 618 -18.172 -3.814 -5.105 786 H GLU 619 H GLU 619 -13.824 -5.585 -5.511 787 HA GLU 619 HA GLU 619 -14.221 -6.978 -3.069 788 HB2 GLU 619 1HB GLU 619 -12.447 -7.192 -5.423 789 HB3 GLU 619 2HB GLU 619 -11.904 -7.993 -3.952 790 HG2 GLU 619 1HG GLU 619 -14.766 -8.329 -4.870 791 HG3 GLU 619 2HG GLU 619 -13.461 -9.219 -5.600 792 H ALA 620 H ALA 620 -11.410 -5.018 -4.250 793 HA ALA 620 HA ALA 620 -9.878 -5.186 -1.938 794 HB1 ALA 620 1HB ALA 620 -8.565 -3.558 -2.777 795 HB2 ALA 620 2HB ALA 620 -9.433 -3.979 -4.261 796 HB3 ALA 620 3HB ALA 620 -9.919 -2.535 -3.323 797 H ALA 621 H ALA 621 -12.278 -2.581 -2.712 798 HA ALA 621 HA ALA 621 -12.165 -1.148 -0.322 799 HB1 ALA 621 1HB ALA 621 -14.386 -1.761 -2.303 800 HB2 ALA 621 2HB ALA 621 -14.521 -0.579 -0.987 801 HB3 ALA 621 3HB ALA 621 -13.318 -0.342 -2.275 802 H ARG 622 H ARG 622 -14.349 -4.003 -1.175 803 HA ARG 622 HA ARG 622 -15.593 -3.836 1.310 804 HE ARG 622 HE ARG 622 -15.465 -9.002 -1.870 805 HB2 ARG 622 1HB ARG 622 -16.860 -5.589 0.688 806 HB3 ARG 622 2HB ARG 622 -16.304 -4.972 -0.869 807 HG2 ARG 622 1HG ARG 622 -14.707 -6.884 -0.983 808 HG3 ARG 622 2HG ARG 622 -15.429 -7.520 0.513 809 HD2 ARG 622 1HD ARG 622 -17.608 -7.634 -0.519 810 HD3 ARG 622 2HD ARG 622 -17.073 -6.730 -1.939 811 HH11 ARG 622 2HH2 ARG 622 -18.908 -8.180 -2.346 812 HH12 ARG 622 1HH2 ARG 622 -19.111 -9.267 -3.680 813 HH21 ARG 622 2HH1 ARG 622 -15.825 -10.652 -3.511 814 HH22 ARG 622 1HH1 ARG 622 -17.355 -10.809 -4.257 815 H CYS 623 H CYS 623 -12.923 -5.776 0.262 816 HA CYS 623 HA CYS 623 -12.415 -7.168 2.710 817 HG CYS 623 HG CYS 623 -11.141 -9.162 2.274 818 HB2 CYS 623 1HB CYS 623 -11.495 -7.598 0.322 819 HB3 CYS 623 2HB CYS 623 -10.258 -6.394 0.717 820 H MET 624 H MET 624 -11.347 -3.932 1.584 821 HA MET 624 HA MET 624 -9.318 -3.484 3.517 822 HB2 MET 624 1HB MET 624 -10.924 -1.756 1.681 823 HB3 MET 624 2HB MET 624 -10.353 -0.949 3.125 824 HG2 MET 624 1HG MET 624 -8.547 -2.454 1.207 825 HG3 MET 624 2HG MET 624 -8.835 -0.711 1.216 826 HE1 MET 624 3HE MET 624 -6.463 0.372 1.593 827 HE2 MET 624 1HE MET 624 -5.236 -0.516 2.499 828 HE3 MET 624 2HE MET 624 -5.994 -1.275 1.086 829 H ARG 625 H ARG 625 -12.854 -3.279 3.882 830 HA ARG 625 HA ARG 625 -12.804 -1.823 6.353 831 HE ARG 625 HE ARG 625 -16.742 -0.251 6.000 832 HB2 ARG 625 1HB ARG 625 -14.702 -3.944 5.283 833 HB3 ARG 625 2HB ARG 625 -15.012 -2.948 6.711 834 HG2 ARG 625 1HG ARG 625 -14.753 -0.893 5.207 835 HG3 ARG 625 2HG ARG 625 -14.661 -2.006 3.825 836 HD2 ARG 625 1HD ARG 625 -16.904 -1.542 3.785 837 HD3 ARG 625 2HD ARG 625 -16.889 -2.969 4.826 838 HH11 ARG 625 2HH2 ARG 625 -18.772 -3.147 5.528 839 HH12 ARG 625 1HH2 ARG 625 -20.126 -2.475 6.360 840 HH21 ARG 625 2HH1 ARG 625 -18.517 0.632 7.002 841 HH22 ARG 625 1HH1 ARG 625 -19.953 -0.274 7.312 842 H SER 626 H SER 626 -11.808 -5.077 5.646 843 HA SER 626 HA SER 626 -11.914 -5.953 8.444 844 HG SER 626 HG SER 626 -11.717 -9.089 7.451 845 HB2 SER 626 1HB SER 626 -11.793 -7.254 5.894 846 HB3 SER 626 2HB SER 626 -10.291 -7.644 6.747 847 H LEU 627 H LEU 627 -9.793 -3.897 6.709 848 HA LEU 627 HA LEU 627 -7.445 -4.588 8.327 849 HG LEU 627 HG LEU 627 -6.796 -1.335 8.315 850 HB2 LEU 627 1HB LEU 627 -7.012 -3.473 6.145 851 HB3 LEU 627 2HB LEU 627 -8.217 -2.258 6.507 852 HD11 LEU 627 1HD1 LEU 627 -4.848 -3.388 7.261 853 HD12 LEU 627 2HD1 LEU 627 -4.241 -1.814 7.809 854 HD13 LEU 627 3HD1 LEU 627 -5.134 -2.825 8.925 855 HD21 LEU 627 3HD2 LEU 627 -5.460 -0.026 6.844 856 HD22 LEU 627 1HD2 LEU 627 -5.573 -1.234 5.546 857 HD23 LEU 627 2HD2 LEU 627 -7.014 -0.334 6.072 858 H LYS 628 H LYS 628 -6.994 -3.585 10.218 859 HA LYS 628 HA LYS 628 -9.245 -2.081 11.491 860 HB2 LYS 628 1HB LYS 628 -7.145 -3.845 12.800 861 HB3 LYS 628 2HB LYS 628 -8.531 -3.096 13.581 862 HG2 LYS 628 1HG LYS 628 -8.532 -5.400 11.600 863 HG3 LYS 628 2HG LYS 628 -9.078 -5.361 13.267 864 HD2 LYS 628 1HD LYS 628 -10.781 -3.504 12.243 865 HD3 LYS 628 2HD LYS 628 -10.439 -4.392 10.767 866 HE2 LYS 628 1HE LYS 628 -12.369 -5.400 11.631 867 HE3 LYS 628 2HE LYS 628 -11.057 -6.525 12.048 868 HZ1 LYS 628 3HZ LYS 628 -12.276 -4.512 13.842 869 HZ2 LYS 628 1HZ LYS 628 -12.545 -6.145 13.894 870 HZ3 LYS 628 2HZ LYS 628 -11.059 -5.535 14.273 871 H ALA 629 H ALA 629 -6.669 -1.125 10.011 872 HA ALA 629 HA ALA 629 -5.590 0.685 12.082 873 HB1 ALA 629 1HB ALA 629 -3.986 -1.062 11.096 874 HB2 ALA 629 2HB ALA 629 -4.248 -0.295 9.522 875 HB3 ALA 629 3HB ALA 629 -3.509 0.630 10.815 876 HA PRO 630 HA PRO 630 -6.950 3.943 9.187 877 HB2 PRO 630 1HB PRO 630 -4.322 5.295 9.616 878 HB3 PRO 630 2HB PRO 630 -5.966 5.916 9.921 879 HG2 PRO 630 1HG PRO 630 -4.254 5.202 11.924 880 HG3 PRO 630 2HG PRO 630 -6.017 4.920 12.051 881 HD2 PRO 630 1HD PRO 630 -3.872 2.928 11.316 882 HD3 PRO 630 2HD PRO 630 -5.278 2.750 12.409 883 H ALA 631 H ALA 631 -6.636 4.258 6.924 884 HA ALA 631 HA ALA 631 -3.996 3.621 5.753 885 HB1 ALA 631 1HB ALA 631 -5.408 1.708 5.276 886 HB2 ALA 631 2HB ALA 631 -6.756 2.761 4.761 887 HB3 ALA 631 3HB ALA 631 -5.270 2.670 3.802 888 H VAL 632 H VAL 632 -3.644 4.649 3.808 889 HA VAL 632 HA VAL 632 -5.560 6.647 2.870 890 HB VAL 632 HB VAL 632 -2.574 7.079 2.903 891 HG11 VAL 632 1HG1 VAL 632 -3.454 7.705 0.697 892 HG12 VAL 632 2HG1 VAL 632 -4.787 8.598 1.457 893 HG13 VAL 632 3HG1 VAL 632 -3.114 9.164 1.637 894 HG21 VAL 632 3HG2 VAL 632 -3.200 9.190 4.049 895 HG22 VAL 632 1HG2 VAL 632 -4.911 8.689 4.018 896 HG23 VAL 632 2HG2 VAL 632 -3.721 7.767 4.964 897 H VAL 633 H VAL 633 -6.513 5.094 1.676 898 HA VAL 633 HA VAL 633 -5.033 3.331 -0.088 899 HB VAL 633 HB VAL 633 -7.889 3.802 -0.656 900 HG11 VAL 633 1HG1 VAL 633 -7.783 1.343 -0.885 901 HG12 VAL 633 2HG1 VAL 633 -6.455 2.097 -1.770 902 HG13 VAL 633 3HG1 VAL 633 -6.135 1.316 -0.235 903 HG21 VAL 633 3HG2 VAL 633 -8.175 3.883 1.725 904 HG22 VAL 633 1HG2 VAL 633 -8.607 2.266 1.182 905 HG23 VAL 633 2HG2 VAL 633 -7.048 2.530 1.979 906 H SER 634 H SER 634 -4.761 3.801 -2.468 907 HA SER 634 HA SER 634 -5.904 6.368 -3.336 908 HG SER 634 HG SER 634 -3.037 7.557 -4.976 909 HB2 SER 634 1HB SER 634 -3.422 6.636 -2.728 910 HB3 SER 634 2HB SER 634 -3.105 5.571 -4.113 911 H VAL 635 H VAL 635 -6.571 6.345 -5.424 912 HA VAL 635 HA VAL 635 -6.687 3.650 -6.729 913 HB VAL 635 HB VAL 635 -8.679 4.718 -7.901 914 HG11 VAL 635 1HG1 VAL 635 -8.860 3.038 -6.030 915 HG12 VAL 635 2HG1 VAL 635 -9.038 4.429 -4.914 916 HG13 VAL 635 3HG1 VAL 635 -10.242 4.139 -6.167 917 HG21 VAL 635 3HG2 VAL 635 -8.117 7.111 -7.100 918 HG22 VAL 635 1HG2 VAL 635 -9.791 6.579 -6.894 919 HG23 VAL 635 2HG2 VAL 635 -8.728 6.612 -5.504 920 H SER 636 H SER 636 -7.059 3.755 -9.167 921 HA SER 636 HA SER 636 -4.836 5.069 -10.354 922 HG SER 636 HG SER 636 -4.996 2.242 -11.689 923 HB2 SER 636 1HB SER 636 -7.197 3.773 -11.756 924 HB3 SER 636 2HB SER 636 -5.604 4.078 -12.449 925 H SER 637 H SER 637 -8.105 6.232 -9.854 926 HA SER 637 HA SER 637 -7.584 8.623 -11.518 927 HG SER 637 HG SER 637 -9.063 5.566 -12.320 928 HB2 SER 637 1HB SER 637 -10.278 7.332 -11.722 929 HB3 SER 637 2HB SER 637 -9.431 8.329 -12.908 930 HA PRO 638 HA PRO 638 -9.849 10.458 -8.202 931 HB2 PRO 638 1HB PRO 638 -11.111 12.611 -9.434 932 HB3 PRO 638 2HB PRO 638 -9.380 12.551 -8.985 933 HG2 PRO 638 1HG PRO 638 -10.630 11.985 -11.683 934 HG3 PRO 638 2HG PRO 638 -9.138 12.916 -11.320 935 HD2 PRO 638 1HD PRO 638 -9.037 10.372 -12.176 936 HD3 PRO 638 2HD PRO 638 -7.874 11.009 -10.978 937 H ASP 639 H ASP 639 -11.629 9.687 -11.153 938 HA ASP 639 HA ASP 639 -14.288 9.709 -10.270 939 HB2 ASP 639 1HB ASP 639 -13.285 9.479 -12.579 940 HB3 ASP 639 2HB ASP 639 -12.893 7.801 -12.203 941 H ALA 640 H ALA 640 -11.729 7.382 -9.660 942 HA ALA 640 HA ALA 640 -13.490 5.122 -8.812 943 HB1 ALA 640 1HB ALA 640 -10.499 5.480 -9.005 944 HB2 ALA 640 2HB ALA 640 -11.316 4.065 -8.289 945 HB3 ALA 640 3HB ALA 640 -11.592 4.469 -9.980 946 H VAL 641 H VAL 641 -12.049 8.020 -7.407 947 HA VAL 641 HA VAL 641 -11.636 6.940 -4.788 948 HB VAL 641 HB VAL 641 -12.347 9.760 -5.670 949 HG11 VAL 641 1HG1 VAL 641 -12.623 9.371 -3.179 950 HG12 VAL 641 2HG1 VAL 641 -10.972 8.703 -3.136 951 HG13 VAL 641 3HG1 VAL 641 -11.239 10.420 -3.501 952 HG21 VAL 641 3HG2 VAL 641 -9.588 8.665 -5.079 953 HG22 VAL 641 1HG2 VAL 641 -10.231 8.933 -6.706 954 HG23 VAL 641 2HG2 VAL 641 -10.010 10.303 -5.609 955 H THR 642 H THR 642 -14.390 8.927 -6.078 956 HA THR 642 HA THR 642 -16.197 8.445 -4.027 957 HB THR 642 HB THR 642 -16.572 8.891 -7.003 958 HG1 THR 642 1HG THR 642 -16.420 10.933 -6.550 959 HG21 THR 642 3HG2 THR 642 -18.753 9.971 -6.381 960 HG22 THR 642 1HG2 THR 642 -18.736 8.223 -6.132 961 HG23 THR 642 2HG2 THR 642 -18.567 9.309 -4.739 962 H THR 643 H THR 643 -15.690 6.498 -7.016 963 HA THR 643 HA THR 643 -17.728 4.622 -6.595 964 HB THR 643 HB THR 643 -14.984 3.821 -7.632 965 HG1 THR 643 1HG THR 643 -15.701 5.899 -8.712 966 HG21 THR 643 3HG2 THR 643 -16.988 2.221 -7.491 967 HG22 THR 643 1HG2 THR 643 -17.734 3.188 -8.757 968 HG23 THR 643 2HG2 THR 643 -16.176 2.372 -9.064 969 H TYR 644 H TYR 644 -14.388 4.643 -5.346 970 HA TYR 644 HA TYR 644 -14.363 2.142 -4.095 971 HD1 TYR 644 2HD TYR 644 -12.405 3.394 -1.196 972 HD2 TYR 644 1HD TYR 644 -11.316 1.626 -4.952 973 HE1 TYR 644 2HE TYR 644 -11.074 1.663 0.043 974 HE2 TYR 644 1HE TYR 644 -10.037 -0.181 -3.717 975 HH TYR 644 HH TYR 644 -9.855 -0.242 -0.154 976 HB2 TYR 644 1HB TYR 644 -12.448 3.551 -4.876 977 HB3 TYR 644 2HB TYR 644 -12.653 4.567 -3.458 978 H ASN 645 H ASN 645 -14.736 5.455 -2.768 979 HA ASN 645 HA ASN 645 -15.285 5.002 -0.053 980 HB2 ASN 645 1HB ASN 645 -16.826 6.977 -1.818 981 HB3 ASN 645 2HB ASN 645 -16.572 7.050 -0.091 982 HD21 ASN 645 1HD2 ASN 645 -13.527 6.291 -0.870 983 HD22 ASN 645 2HD2 ASN 645 -12.951 7.867 -1.351 984 H GLY 646 H GLY 646 -17.465 4.972 -2.850 985 HA2 GLY 646 1HA GLY 646 -19.920 4.444 -1.617 986 HA3 GLY 646 2HA GLY 646 -19.468 3.883 -3.239 987 H TYR 647 H TYR 647 -17.568 2.015 -2.872 988 HA TYR 647 HA TYR 647 -18.988 -0.265 -1.920 989 HD1 TYR 647 2HD TYR 647 -19.041 -1.566 -3.951 990 HD2 TYR 647 1HD TYR 647 -15.253 0.450 -4.568 991 HE1 TYR 647 2HE TYR 647 -19.372 -1.623 -6.408 992 HE2 TYR 647 1HE TYR 647 -15.596 0.498 -6.875 993 HH TYR 647 HH TYR 647 -18.542 -0.005 -8.329 994 HB2 TYR 647 1HB TYR 647 -16.035 0.107 -2.387 995 HB3 TYR 647 2HB TYR 647 -16.832 -1.467 -2.195 996 H LEU 648 H LEU 648 -16.518 1.828 -0.203 997 HA LEU 648 HA LEU 648 -16.255 0.163 2.049 998 HG LEU 648 HG LEU 648 -13.775 2.860 1.992 999 HB2 LEU 648 1HB LEU 648 -15.832 3.026 1.295 1000 HB3 LEU 648 2HB LEU 648 -16.134 2.696 2.982 1001 HD11 LEU 648 1HD1 LEU 648 -14.724 1.633 4.327 1002 HD12 LEU 648 2HD1 LEU 648 -13.654 0.396 3.642 1003 HD13 LEU 648 3HD1 LEU 648 -13.054 2.029 3.994 1004 HD21 LEU 648 3HD2 LEU 648 -12.686 0.749 1.317 1005 HD22 LEU 648 1HD2 LEU 648 -14.260 -0.032 1.278 1006 HD23 LEU 648 2HD2 LEU 648 -13.912 1.322 0.177 1007 H THR 649 H THR 649 -19.028 2.102 1.126 1008 HA THR 649 HA THR 649 -20.969 2.526 2.127 1009 HB THR 649 HB THR 649 -21.009 0.177 1.566 1010 HG1 THR 649 1HG THR 649 -22.881 0.904 2.513 1011 HG21 THR 649 3HG2 THR 649 -19.917 -0.216 4.346 1012 HG22 THR 649 1HG2 THR 649 -20.710 -1.540 3.444 1013 HG23 THR 649 2HG2 THR 649 -19.223 -0.784 2.830 1014 H SER 650 H SER 650 -18.616 3.447 3.873 1015 HA SER 650 HA SER 650 -19.648 3.058 6.614 1016 HG SER 650 HG SER 650 -17.473 1.735 5.277 1017 HB2 SER 650 1HB SER 650 -16.955 3.929 5.500 1018 HB3 SER 650 2HB SER 650 -17.379 3.814 7.213 1019 H SER 651 H SER 651 -20.738 4.820 4.749 1020 HA SER 651 HA SER 651 -22.089 6.641 4.996 1021 HG SER 651 HG SER 651 -21.735 9.444 7.033 1022 HB2 SER 651 1HB SER 651 -21.175 7.125 7.348 1023 HB3 SER 651 2HB SER 651 -20.017 8.192 6.541 Start of MODEL 16 1 H1 GLY -4 H GLY -4 -6.691 17.752 8.149 2 HA2 GLY -4 1HA GLY -4 -4.000 17.581 9.392 3 HA3 GLY -4 2HA GLY -4 -5.129 16.214 9.270 4 H SER -3 H SER -3 -3.049 15.304 8.154 5 HA SER -3 HA SER -3 -2.980 15.780 5.266 6 HG SER -3 HG SER -3 -0.846 15.050 7.289 7 HB2 SER -3 1HB SER -3 -2.313 13.329 6.969 8 HB3 SER -3 2HB SER -3 -2.031 13.480 5.228 9 H HIS -2 H HIS -2 -4.275 14.559 3.763 10 HA HIS -2 HA HIS -2 -6.910 13.742 4.752 11 HD1 HIS -2 1HD HIS -2 -8.835 14.297 1.035 12 HD2 HIS -2 2HD HIS -2 -6.132 16.405 3.558 13 HE1 HIS -2 1HE HIS -2 -9.532 16.713 1.005 14 HE2 HIS -2 2HE HIS -2 -7.951 18.017 2.507 15 HB2 HIS -2 1HB HIS -2 -5.573 13.559 2.030 16 HB3 HIS -2 2HB HIS -2 -7.111 12.779 2.371 17 H MET -1 H MET -1 -7.765 11.522 4.552 18 HA MET -1 HA MET -1 -5.833 9.346 4.787 19 HB2 MET -1 1HB MET -1 -6.572 10.644 7.053 20 HB3 MET -1 2HB MET -1 -7.960 9.564 6.904 21 HG2 MET -1 1HG MET -1 -6.563 7.629 7.079 22 HG3 MET -1 2HG MET -1 -5.110 8.552 6.698 23 HE1 MET -1 3HE MET -1 -3.674 9.411 10.037 24 HE2 MET -1 1HE MET -1 -3.435 8.263 8.705 25 HE3 MET -1 2HE MET -1 -3.727 9.977 8.353 26 H GLY 527 H GLY 527 -7.164 7.233 4.835 27 HA2 GLY 527 1HA GLY 527 -8.818 5.882 3.942 28 HA3 GLY 527 2HA GLY 527 -9.877 7.298 3.736 29 H THR 528 H THR 528 -10.246 6.127 1.550 30 HA THR 528 HA THR 528 -8.241 5.898 -0.384 31 HB THR 528 HB THR 528 -11.167 6.708 -0.951 32 HG1 THR 528 1HG THR 528 -11.884 5.097 0.002 33 HG21 THR 528 3HG2 THR 528 -9.634 6.160 -2.891 34 HG22 THR 528 1HG2 THR 528 -9.395 4.546 -2.193 35 HG23 THR 528 2HG2 THR 528 -11.003 5.035 -2.724 36 H VAL 529 H VAL 529 -7.234 7.379 -1.636 37 HA VAL 529 HA VAL 529 -8.184 10.193 -1.864 38 HB VAL 529 HB VAL 529 -5.888 11.033 -1.862 39 HG11 VAL 529 1HG1 VAL 529 -5.343 10.870 0.522 40 HG12 VAL 529 2HG1 VAL 529 -7.030 11.230 0.203 41 HG13 VAL 529 3HG1 VAL 529 -6.561 9.584 0.713 42 HG21 VAL 529 3HG2 VAL 529 -4.622 9.047 -2.554 43 HG22 VAL 529 1HG2 VAL 529 -3.984 9.731 -1.062 44 HG23 VAL 529 2HG2 VAL 529 -4.985 8.255 -0.993 45 H SER 530 H SER 530 -6.502 11.145 -3.808 46 HA SER 530 HA SER 530 -6.306 9.135 -5.966 47 HG SER 530 HG SER 530 -7.739 12.302 -5.248 48 HB2 SER 530 1HB SER 530 -7.341 11.122 -7.398 49 HB3 SER 530 2HB SER 530 -8.336 9.890 -6.629 50 H TRP 531 H TRP 531 -4.085 9.315 -5.321 51 HA TRP 531 HA TRP 531 -2.691 11.864 -6.074 52 HD1 TRP 531 HD TRP 531 -4.117 12.766 -4.171 53 HE1 TRP 531 1HE TRP 531 -4.629 13.628 -1.844 54 HE3 TRP 531 3HE TRP 531 -0.378 10.382 -1.679 55 HZ2 TRP 531 2HZ TRP 531 -3.602 13.163 0.885 56 HZ3 TRP 531 3HZ TRP 531 -0.131 10.629 0.767 57 HH2 TRP 531 HH TRP 531 -1.788 11.980 2.058 58 HB2 TRP 531 1HB TRP 531 -1.759 9.840 -4.033 59 HB3 TRP 531 2HB TRP 531 -0.947 11.302 -4.509 60 H ASN 532 H ASN 532 -0.289 11.334 -6.613 61 HA ASN 532 HA ASN 532 -0.303 8.991 -8.449 62 HB2 ASN 532 1HB ASN 532 1.205 10.157 -9.870 63 HB3 ASN 532 2HB ASN 532 -0.205 11.152 -9.613 64 HD21 ASN 532 1HD2 ASN 532 1.956 12.345 -10.691 65 HD22 ASN 532 2HD2 ASN 532 2.844 13.253 -9.502 66 H LEU 533 H LEU 533 1.926 8.101 -8.774 67 HA LEU 533 HA LEU 533 2.714 7.059 -6.314 68 HG LEU 533 HG LEU 533 4.034 4.552 -8.615 69 HB2 LEU 533 1HB LEU 533 3.823 6.949 -9.099 70 HB3 LEU 533 2HB LEU 533 4.955 6.592 -7.827 71 HD11 LEU 533 1HD1 LEU 533 2.633 4.908 -5.953 72 HD12 LEU 533 2HD1 LEU 533 3.465 3.479 -6.614 73 HD13 LEU 533 3HD1 LEU 533 4.399 4.874 -6.082 74 HD21 LEU 533 3HD2 LEU 533 1.922 5.361 -9.531 75 HD22 LEU 533 1HD2 LEU 533 1.638 3.986 -8.446 76 HD23 LEU 533 2HD2 LEU 533 1.283 5.638 -7.897 77 H ARG 534 H ARG 534 4.081 9.959 -7.941 78 HA ARG 534 HA ARG 534 6.242 10.127 -6.093 79 HE ARG 534 HE ARG 534 4.801 14.879 -9.462 80 HB2 ARG 534 1HB ARG 534 6.333 12.520 -6.488 81 HB3 ARG 534 2HB ARG 534 6.675 11.358 -7.803 82 HG2 ARG 534 1HG ARG 534 5.542 12.679 -9.017 83 HG3 ARG 534 2HG ARG 534 4.183 11.835 -8.285 84 HD2 ARG 534 1HD ARG 534 3.637 13.763 -6.924 85 HD3 ARG 534 2HD ARG 534 5.264 14.418 -7.085 86 HH11 ARG 534 2HH2 ARG 534 2.167 15.074 -7.113 87 HH12 ARG 534 1HH2 ARG 534 1.130 16.021 -8.113 88 HH21 ARG 534 2HH1 ARG 534 3.489 16.065 -10.812 89 HH22 ARG 534 1HH1 ARG 534 1.996 16.761 -10.247 90 H GLU 535 H GLU 535 3.020 11.770 -6.029 91 HA GLU 535 HA GLU 535 3.397 13.025 -3.604 92 HB2 GLU 535 1HB GLU 535 1.017 12.220 -5.199 93 HB3 GLU 535 2HB GLU 535 0.792 12.530 -3.517 94 HG2 GLU 535 1HG GLU 535 2.217 14.757 -4.038 95 HG3 GLU 535 2HG GLU 535 1.647 14.429 -5.668 96 H MET 536 H MET 536 2.038 9.762 -4.211 97 HA MET 536 HA MET 536 1.680 9.078 -1.486 98 HB2 MET 536 1HB MET 536 2.456 7.233 -3.787 99 HB3 MET 536 2HB MET 536 1.858 6.710 -2.205 100 HG2 MET 536 1HG MET 536 -0.189 8.209 -2.643 101 HG3 MET 536 2HG MET 536 0.373 8.332 -4.297 102 HE1 MET 536 3HE MET 536 -0.840 5.956 -1.468 103 HE2 MET 536 1HE MET 536 -2.171 6.840 -2.244 104 HE3 MET 536 2HE MET 536 -2.075 5.072 -2.393 105 H LEU 537 H LEU 537 4.712 8.812 -3.394 106 HA LEU 537 HA LEU 537 6.203 7.483 -1.325 107 HG LEU 537 HG LEU 537 8.984 8.094 -2.031 108 HB2 LEU 537 1HB LEU 537 6.624 7.652 -3.900 109 HB3 LEU 537 2HB LEU 537 7.351 9.192 -3.556 110 HD11 LEU 537 1HD1 LEU 537 9.281 5.602 -2.224 111 HD12 LEU 537 2HD1 LEU 537 7.790 6.022 -1.419 112 HD13 LEU 537 3HD1 LEU 537 7.753 5.509 -3.121 113 HD21 LEU 537 3HD2 LEU 537 8.906 6.975 -4.872 114 HD22 LEU 537 1HD2 LEU 537 9.358 8.635 -4.467 115 HD23 LEU 537 2HD2 LEU 537 10.354 7.297 -3.886 116 H ALA 538 H ALA 538 6.346 10.758 -2.588 117 HA ALA 538 HA ALA 538 8.137 11.899 -0.692 118 HB1 ALA 538 1HB ALA 538 7.159 14.077 -1.500 119 HB2 ALA 538 2HB ALA 538 7.522 12.974 -2.845 120 HB3 ALA 538 3HB ALA 538 5.846 13.194 -2.287 121 H HIS 539 H HIS 539 4.545 11.578 -0.544 122 HA HIS 539 HA HIS 539 4.215 12.897 1.965 123 HD1 HIS 539 1HD HIS 539 1.595 13.948 2.290 124 HD2 HIS 539 2HD HIS 539 1.497 9.847 3.433 125 HE1 HIS 539 1HE HIS 539 0.340 13.804 4.518 126 HE2 HIS 539 2HE HIS 539 0.138 11.345 5.140 127 HB2 HIS 539 1HB HIS 539 2.390 11.989 0.416 128 HB3 HIS 539 2HB HIS 539 2.670 10.404 1.058 129 H ALA 540 H ALA 540 4.659 9.496 1.167 130 HA ALA 540 HA ALA 540 4.925 8.568 3.883 131 HB1 ALA 540 1HB ALA 540 5.839 6.505 2.986 132 HB2 ALA 540 2HB ALA 540 4.637 7.052 1.802 133 HB3 ALA 540 3HB ALA 540 6.358 7.297 1.492 134 H GLU 541 H GLU 541 7.487 9.906 1.781 135 HA GLU 541 HA GLU 541 9.602 9.471 3.650 136 HB2 GLU 541 1HB GLU 541 9.042 11.171 1.208 137 HB3 GLU 541 2HB GLU 541 10.339 11.714 2.243 138 HG2 GLU 541 1HG GLU 541 11.230 9.300 2.215 139 HG3 GLU 541 2HG GLU 541 10.012 8.993 0.965 140 H GLU 542 H GLU 542 7.715 12.439 3.004 141 HA GLU 542 HA GLU 542 8.659 14.059 5.032 142 HB2 GLU 542 1HB GLU 542 7.372 14.762 3.140 143 HB3 GLU 542 2HB GLU 542 5.985 13.782 3.610 144 HG2 GLU 542 1HG GLU 542 5.425 15.214 5.425 145 HG3 GLU 542 2HG GLU 542 6.969 16.092 5.283 146 H THR 543 H THR 543 5.868 11.863 5.143 147 HA THR 543 HA THR 543 5.514 12.406 8.019 148 HB THR 543 HB THR 543 3.372 11.228 7.803 149 HG1 THR 543 1HG THR 543 4.087 11.222 5.057 150 HG21 THR 543 3HG2 THR 543 3.724 13.564 5.880 151 HG22 THR 543 1HG2 THR 543 2.225 13.055 6.691 152 HG23 THR 543 2HG2 THR 543 3.570 13.688 7.647 153 H ARG 544 H ARG 544 7.470 10.324 6.386 154 HA ARG 544 HA ARG 544 8.353 8.466 6.561 155 HE ARG 544 HE ARG 544 8.318 10.189 12.118 156 HB2 ARG 544 1HB ARG 544 9.741 7.919 8.291 157 HB3 ARG 544 2HB ARG 544 9.834 9.536 7.667 158 HG2 ARG 544 1HG ARG 544 10.031 9.064 10.215 159 HG3 ARG 544 2HG ARG 544 9.226 10.540 9.648 160 HD2 ARG 544 1HD ARG 544 7.148 9.649 9.983 161 HD3 ARG 544 2HD ARG 544 7.689 8.008 10.148 162 HH11 ARG 544 2HH2 ARG 544 7.052 6.876 11.642 163 HH12 ARG 544 1HH2 ARG 544 7.202 6.457 13.302 164 HH21 ARG 544 2HH1 ARG 544 8.349 9.645 14.313 165 HH22 ARG 544 1HH1 ARG 544 8.037 8.033 14.847 166 H LYS 545 H LYS 545 5.784 8.014 6.358 167 HA LYS 545 HA LYS 545 4.966 5.973 8.291 168 HB2 LYS 545 1HB LYS 545 3.469 6.795 5.778 169 HB3 LYS 545 2HB LYS 545 2.845 6.013 7.242 170 HG2 LYS 545 1HG LYS 545 3.449 8.065 8.549 171 HG3 LYS 545 2HG LYS 545 3.843 8.812 6.985 172 HD2 LYS 545 1HD LYS 545 1.158 8.211 8.141 173 HD3 LYS 545 2HD LYS 545 1.764 9.671 7.418 174 HE2 LYS 545 1HE LYS 545 0.270 8.923 5.840 175 HE3 LYS 545 2HE LYS 545 1.825 8.344 5.192 176 HZ1 LYS 545 3HZ LYS 545 1.203 6.174 6.289 177 HZ2 LYS 545 1HZ LYS 545 -0.268 6.838 6.635 178 HZ3 LYS 545 2HZ LYS 545 0.140 6.618 5.096 179 H LEU 546 H LEU 546 3.633 4.045 7.143 180 HA LEU 546 HA LEU 546 5.739 2.462 5.932 181 HG LEU 546 HG LEU 546 3.877 -0.057 5.573 182 HB2 LEU 546 1HB LEU 546 4.600 1.696 7.971 183 HB3 LEU 546 2HB LEU 546 3.053 1.774 7.163 184 HD11 LEU 546 1HD1 LEU 546 5.898 -1.326 6.321 185 HD12 LEU 546 2HD1 LEU 546 6.300 0.301 5.866 186 HD13 LEU 546 3HD1 LEU 546 6.176 -0.141 7.586 187 HD21 LEU 546 3HD2 LEU 546 3.987 -0.805 8.518 188 HD22 LEU 546 1HD2 LEU 546 2.502 -0.609 7.571 189 HD23 LEU 546 2HD2 LEU 546 3.643 -1.890 7.157 190 H MET 547 H MET 547 5.591 1.466 3.945 191 HA MET 547 HA MET 547 3.178 1.903 2.244 192 HB2 MET 547 1HB MET 547 5.065 3.457 1.760 193 HB3 MET 547 2HB MET 547 6.108 2.065 1.433 194 HG2 MET 547 1HG MET 547 4.497 1.335 -0.344 195 HG3 MET 547 2HG MET 547 3.529 2.774 0.001 196 HE1 MET 547 3HE MET 547 3.750 4.960 -0.917 197 HE2 MET 547 1HE MET 547 5.198 5.331 0.048 198 HE3 MET 547 2HE MET 547 5.183 5.646 -1.701 199 HA PRO 548 HA PRO 548 4.037 -2.586 1.984 200 HB2 PRO 548 1HB PRO 548 1.414 -3.258 1.103 201 HB3 PRO 548 2HB PRO 548 2.062 -3.390 2.734 202 HG2 PRO 548 1HG PRO 548 0.171 -1.421 1.673 203 HG3 PRO 548 2HG PRO 548 0.591 -1.752 3.359 204 HD2 PRO 548 1HD PRO 548 1.465 0.457 1.743 205 HD3 PRO 548 2HD PRO 548 1.937 0.079 3.418 206 H ILE 549 H ILE 549 4.607 -3.884 0.179 207 HA ILE 549 HA ILE 549 3.785 -2.989 -2.534 208 HB ILE 549 HB ILE 549 6.682 -3.363 -1.611 209 HG12 ILE 549 1HG1 ILE 549 6.562 -0.949 -2.874 210 HG13 ILE 549 2HG1 ILE 549 4.965 -0.988 -2.184 211 HG21 ILE 549 1HG2 ILE 549 6.515 -4.383 -3.803 212 HG22 ILE 549 2HG2 ILE 549 5.589 -3.002 -4.424 213 HG23 ILE 549 3HG2 ILE 549 7.300 -2.818 -3.957 214 HD11 ILE 549 3HD1 ILE 549 7.669 -1.121 -0.867 215 HD12 ILE 549 1HD1 ILE 549 6.278 -0.027 -0.556 216 HD13 ILE 549 2HD1 ILE 549 6.261 -1.715 0.008 217 H CYS 550 H CYS 550 3.393 -4.705 -3.888 218 HA CYS 550 HA CYS 550 3.848 -7.406 -2.825 219 HG CYS 550 HG CYS 550 2.307 -8.991 -3.128 220 HB2 CYS 550 1HB CYS 550 1.739 -6.620 -4.184 221 HB3 CYS 550 2HB CYS 550 2.798 -6.811 -5.609 222 H MET 551 H MET 551 5.690 -8.457 -3.259 223 HA MET 551 HA MET 551 7.857 -7.539 -4.826 224 HB2 MET 551 1HB MET 551 7.080 -10.284 -3.740 225 HB3 MET 551 2HB MET 551 8.610 -9.956 -4.560 226 HG2 MET 551 1HG MET 551 8.456 -7.960 -2.645 227 HG3 MET 551 2HG MET 551 7.766 -9.359 -1.827 228 HE1 MET 551 3HE MET 551 10.536 -8.154 -0.596 229 HE2 MET 551 1HE MET 551 9.424 -9.428 -0.079 230 HE3 MET 551 2HE MET 551 11.167 -9.773 -0.238 231 H ASP 552 H ASP 552 4.987 -9.074 -5.782 232 HA ASP 552 HA ASP 552 5.683 -10.330 -8.262 233 HB2 ASP 552 1HB ASP 552 3.557 -10.786 -7.507 234 HB3 ASP 552 2HB ASP 552 3.241 -9.118 -7.024 235 H VAL 553 H VAL 553 4.635 -6.931 -7.542 236 HA VAL 553 HA VAL 553 4.633 -6.410 -10.403 237 HB VAL 553 HB VAL 553 3.995 -4.533 -8.099 238 HG11 VAL 553 1HG1 VAL 553 2.774 -3.256 -9.868 239 HG12 VAL 553 2HG1 VAL 553 4.502 -3.327 -10.216 240 HG13 VAL 553 3HG1 VAL 553 3.378 -4.379 -11.103 241 HG21 VAL 553 3HG2 VAL 553 2.231 -6.299 -9.855 242 HG22 VAL 553 1HG2 VAL 553 2.453 -6.439 -8.102 243 HG23 VAL 553 2HG2 VAL 553 1.638 -5.018 -8.772 244 H ARG 554 H ARG 554 6.757 -6.780 -10.834 245 HA ARG 554 HA ARG 554 8.909 -5.489 -9.655 246 HE ARG 554 HE ARG 554 11.143 -9.924 -10.433 247 HB2 ARG 554 1HB ARG 554 8.629 -6.684 -12.399 248 HB3 ARG 554 2HB ARG 554 10.081 -5.769 -11.974 249 HG2 ARG 554 1HG ARG 554 10.143 -7.257 -9.819 250 HG3 ARG 554 2HG ARG 554 9.053 -8.332 -10.713 251 HD2 ARG 554 1HD ARG 554 10.732 -8.581 -12.487 252 HD3 ARG 554 2HD ARG 554 11.725 -7.312 -11.755 253 HH11 ARG 554 2HH2 ARG 554 13.629 -7.527 -11.352 254 HH12 ARG 554 1HH2 ARG 554 14.803 -8.177 -10.245 255 HH21 ARG 554 2HH1 ARG 554 12.624 -10.717 -9.067 256 HH22 ARG 554 1HH1 ARG 554 14.272 -10.160 -8.983 257 H ALA 555 H ALA 555 6.711 -3.994 -11.968 258 HA ALA 555 HA ALA 555 8.177 -1.685 -12.593 259 HB1 ALA 555 1HB ALA 555 5.206 -1.946 -11.923 260 HB2 ALA 555 2HB ALA 555 5.965 -0.557 -12.705 261 HB3 ALA 555 3HB ALA 555 5.962 -2.129 -13.521 262 H ILE 556 H ILE 556 6.249 -2.323 -9.621 263 HA ILE 556 HA ILE 556 6.832 0.259 -8.418 264 HB ILE 556 HB ILE 556 5.723 -2.320 -7.208 265 HG12 ILE 556 1HG1 ILE 556 4.208 0.202 -8.021 266 HG13 ILE 556 2HG1 ILE 556 4.303 -1.231 -9.041 267 HG21 ILE 556 1HG2 ILE 556 5.743 0.531 -6.096 268 HG22 ILE 556 2HG2 ILE 556 4.951 -0.863 -5.338 269 HG23 ILE 556 3HG2 ILE 556 6.701 -0.830 -5.479 270 HD11 ILE 556 3HD1 ILE 556 3.242 -2.561 -7.176 271 HD12 ILE 556 1HD1 ILE 556 2.952 -1.024 -6.329 272 HD13 ILE 556 2HD1 ILE 556 2.215 -1.317 -7.910 273 H MET 557 H MET 557 8.023 -3.120 -7.985 274 HA MET 557 HA MET 557 9.870 -2.626 -5.916 275 HB2 MET 557 1HB MET 557 10.036 -4.561 -8.257 276 HB3 MET 557 2HB MET 557 11.158 -4.577 -6.926 277 HG2 MET 557 1HG MET 557 8.333 -4.674 -6.035 278 HG3 MET 557 2HG MET 557 8.813 -6.028 -7.049 279 HE1 MET 557 3HE MET 557 9.732 -3.905 -3.952 280 HE2 MET 557 1HE MET 557 10.924 -4.906 -3.094 281 HE3 MET 557 2HE MET 557 11.378 -4.092 -4.607 282 H ALA 558 H ALA 558 10.372 -2.410 -9.466 283 HA ALA 558 HA ALA 558 13.089 -1.743 -9.342 284 HB1 ALA 558 1HB ALA 558 12.837 -1.117 -11.668 285 HB2 ALA 558 2HB ALA 558 11.919 -2.596 -11.361 286 HB3 ALA 558 3HB ALA 558 11.066 -1.045 -11.519 287 H THR 559 H THR 559 10.154 0.364 -9.547 288 HA THR 559 HA THR 559 11.427 2.876 -9.593 289 HB THR 559 HB THR 559 8.770 1.786 -8.695 290 HG1 THR 559 1HG THR 559 8.111 3.162 -10.317 291 HG21 THR 559 3HG2 THR 559 9.039 3.498 -6.992 292 HG22 THR 559 1HG2 THR 559 9.567 4.680 -8.209 293 HG23 THR 559 2HG2 THR 559 7.903 4.042 -8.219 294 H ILE 560 H ILE 560 10.509 0.848 -6.747 295 HA ILE 560 HA ILE 560 11.556 2.769 -4.904 296 HB ILE 560 HB ILE 560 10.770 -0.153 -4.650 297 HG12 ILE 560 1HG1 ILE 560 9.510 2.490 -3.710 298 HG13 ILE 560 2HG1 ILE 560 9.037 1.644 -5.180 299 HG21 ILE 560 1HG2 ILE 560 11.542 1.786 -2.410 300 HG22 ILE 560 2HG2 ILE 560 10.877 0.158 -2.195 301 HG23 ILE 560 3HG2 ILE 560 12.472 0.356 -2.893 302 HD11 ILE 560 3HD1 ILE 560 7.445 1.090 -3.534 303 HD12 ILE 560 1HD1 ILE 560 8.448 -0.349 -3.826 304 HD13 ILE 560 2HD1 ILE 560 8.683 0.626 -2.358 305 H GLN 561 H GLN 561 13.051 -0.336 -6.161 306 HA GLN 561 HA GLN 561 15.473 0.123 -4.724 307 HB2 GLN 561 1HB GLN 561 14.855 -1.530 -7.200 308 HB3 GLN 561 2HB GLN 561 16.503 -1.357 -6.563 309 HG2 GLN 561 1HG GLN 561 15.592 -2.078 -4.296 310 HG3 GLN 561 2HG GLN 561 14.120 -2.575 -5.118 311 HE21 GLN 561 1HE2 GLN 561 14.569 -4.134 -7.175 312 HE22 GLN 561 2HE2 GLN 561 15.808 -5.313 -6.892 313 H ARG 562 H ARG 562 14.381 1.527 -7.788 314 HA ARG 562 HA ARG 562 16.899 2.619 -8.614 315 HE ARG 562 HE ARG 562 14.891 3.950 -13.343 316 HB2 ARG 562 1HB ARG 562 14.066 3.626 -8.979 317 HB3 ARG 562 2HB ARG 562 15.457 4.537 -9.562 318 HG2 ARG 562 1HG ARG 562 16.081 2.829 -11.114 319 HG3 ARG 562 2HG ARG 562 14.976 1.672 -10.406 320 HD2 ARG 562 1HD ARG 562 13.740 2.300 -12.229 321 HD3 ARG 562 2HD ARG 562 13.098 3.441 -11.051 322 HH11 ARG 562 2HH2 ARG 562 13.158 5.582 -10.652 323 HH12 ARG 562 1HH2 ARG 562 14.014 7.057 -10.919 324 HH21 ARG 562 2HH1 ARG 562 15.622 5.935 -13.873 325 HH22 ARG 562 1HH1 ARG 562 15.424 7.277 -12.808 326 H LYS 563 H LYS 563 14.497 3.807 -6.224 327 HA LYS 563 HA LYS 563 16.173 6.202 -5.767 328 HB2 LYS 563 1HB LYS 563 13.607 6.079 -6.336 329 HB3 LYS 563 2HB LYS 563 13.370 5.719 -4.639 330 HG2 LYS 563 1HG LYS 563 15.003 8.083 -5.526 331 HG3 LYS 563 2HG LYS 563 13.251 8.151 -5.634 332 HD2 LYS 563 1HD LYS 563 13.818 7.384 -2.952 333 HD3 LYS 563 2HD LYS 563 15.015 8.623 -3.375 334 HE2 LYS 563 1HE LYS 563 12.874 9.879 -4.367 335 HE3 LYS 563 2HE LYS 563 11.991 8.827 -3.250 336 HZ1 LYS 563 3HZ LYS 563 12.472 10.852 -2.184 337 HZ2 LYS 563 1HZ LYS 563 13.378 9.782 -1.459 338 HZ3 LYS 563 2HZ LYS 563 14.043 10.839 -2.595 339 H TYR 564 H TYR 564 15.421 3.263 -4.271 340 HA TYR 564 HA TYR 564 16.867 3.999 -1.776 341 HD1 TYR 564 2HD TYR 564 13.036 3.824 -3.085 342 HD2 TYR 564 1HD TYR 564 14.680 4.625 0.849 343 HE1 TYR 564 2HE TYR 564 11.438 5.697 -2.798 344 HE2 TYR 564 1HE TYR 564 13.069 6.474 1.118 345 HH TYR 564 HH TYR 564 11.764 8.037 -0.268 346 HB2 TYR 564 1HB TYR 564 14.422 2.149 -1.877 347 HB3 TYR 564 2HB TYR 564 15.333 2.613 -0.475 348 H LYS 565 H LYS 565 18.659 3.094 -3.193 349 HA LYS 565 HA LYS 565 18.473 0.175 -3.588 350 HB2 LYS 565 1HB LYS 565 19.311 2.166 -5.233 351 HB3 LYS 565 2HB LYS 565 20.866 1.782 -4.510 352 HG2 LYS 565 1HG LYS 565 20.832 -0.446 -5.351 353 HG3 LYS 565 2HG LYS 565 19.065 -0.418 -5.558 354 HD2 LYS 565 1HD LYS 565 19.260 1.219 -7.382 355 HD3 LYS 565 2HD LYS 565 21.020 1.193 -7.262 356 HE2 LYS 565 1HE LYS 565 19.421 -1.371 -7.666 357 HE3 LYS 565 2HE LYS 565 19.742 -0.296 -9.037 358 HZ1 LYS 565 3HZ LYS 565 21.423 -2.070 -8.742 359 HZ2 LYS 565 1HZ LYS 565 22.056 -0.564 -8.747 360 HZ3 LYS 565 2HZ LYS 565 21.917 -1.355 -7.345 361 H GLY 566 H GLY 566 19.806 2.187 -1.149 362 HA2 GLY 566 1HA GLY 566 22.060 0.570 -0.465 363 HA3 GLY 566 2HA GLY 566 21.157 1.641 0.634 364 H ILE 567 H ILE 567 18.597 0.504 0.421 365 HA ILE 567 HA ILE 567 18.763 -1.728 2.163 366 HB ILE 567 HB ILE 567 17.026 -0.185 2.310 367 HG12 ILE 567 1HG1 ILE 567 16.605 -2.744 2.667 368 HG13 ILE 567 2HG1 ILE 567 15.410 -1.498 2.915 369 HG21 ILE 567 1HG2 ILE 567 15.156 0.081 0.678 370 HG22 ILE 567 2HG2 ILE 567 16.715 0.678 0.040 371 HG23 ILE 567 3HG2 ILE 567 16.047 -0.857 -0.505 372 HD11 ILE 567 3HD1 ILE 567 14.304 -1.933 0.837 373 HD12 ILE 567 1HD1 ILE 567 15.627 -2.955 0.260 374 HD13 ILE 567 2HD1 ILE 567 14.582 -3.529 1.594 375 H LYS 568 H LYS 568 18.092 -3.874 1.833 376 HA LYS 568 HA LYS 568 18.294 -4.875 -0.973 377 HB2 LYS 568 1HB LYS 568 19.162 -6.279 1.589 378 HB3 LYS 568 2HB LYS 568 19.192 -6.962 -0.032 379 HG2 LYS 568 1HG LYS 568 20.951 -4.710 1.049 380 HG3 LYS 568 2HG LYS 568 21.410 -6.370 0.738 381 HD2 LYS 568 1HD LYS 568 22.265 -5.441 -1.159 382 HD3 LYS 568 2HD LYS 568 20.658 -5.820 -1.755 383 HE2 LYS 568 1HE LYS 568 20.345 -3.630 -2.250 384 HE3 LYS 568 2HE LYS 568 20.424 -3.290 -0.515 385 HZ1 LYS 568 3HZ LYS 568 22.821 -3.074 -0.734 386 HZ2 LYS 568 1HZ LYS 568 22.680 -3.214 -2.370 387 HZ3 LYS 568 2HZ LYS 568 21.951 -1.950 -1.606 388 H ILE 569 H ILE 569 16.420 -5.962 -1.580 389 HA ILE 569 HA ILE 569 14.123 -5.551 0.032 390 HB ILE 569 HB ILE 569 14.623 -7.209 -2.479 391 HG12 ILE 569 1HG1 ILE 569 15.099 -4.906 -2.968 392 HG13 ILE 569 2HG1 ILE 569 13.527 -5.276 -3.655 393 HG21 ILE 569 1HG2 ILE 569 11.966 -6.393 -1.244 394 HG22 ILE 569 2HG2 ILE 569 12.170 -7.028 -2.891 395 HG23 ILE 569 3HG2 ILE 569 12.605 -8.035 -1.524 396 HD11 ILE 569 3HD1 ILE 569 14.072 -3.691 -1.122 397 HD12 ILE 569 1HD1 ILE 569 13.449 -3.077 -2.653 398 HD13 ILE 569 2HD1 ILE 569 12.462 -4.174 -1.666 399 H GLN 570 H GLN 570 12.813 -6.969 1.091 400 HA GLN 570 HA GLN 570 13.633 -9.652 1.868 401 HB2 GLN 570 1HB GLN 570 13.907 -9.097 4.228 402 HB3 GLN 570 2HB GLN 570 15.027 -8.109 3.299 403 HG2 GLN 570 1HG GLN 570 12.893 -6.413 3.383 404 HG3 GLN 570 2HG GLN 570 12.595 -7.298 4.866 405 HE21 GLN 570 1HE2 GLN 570 15.234 -5.485 3.103 406 HE22 GLN 570 2HE2 GLN 570 15.893 -4.791 4.547 407 H GLU 571 H GLU 571 11.757 -10.793 2.894 408 HA GLU 571 HA GLU 571 9.252 -9.483 2.223 409 HB2 GLU 571 1HB GLU 571 10.329 -12.261 2.740 410 HB3 GLU 571 2HB GLU 571 8.717 -11.936 3.343 411 HG2 GLU 571 1HG GLU 571 8.003 -11.181 1.079 412 HG3 GLU 571 2HG GLU 571 9.638 -11.478 0.492 413 H GLY 572 H GLY 572 8.728 -7.993 3.884 414 HA2 GLY 572 1HA GLY 572 7.805 -8.508 6.351 415 HA3 GLY 572 2HA GLY 572 9.559 -8.491 6.649 416 H ILE 573 H ILE 573 8.752 -6.639 8.023 417 HA ILE 573 HA ILE 573 8.284 -4.076 6.707 418 HB ILE 573 HB ILE 573 8.964 -4.898 9.557 419 HG12 ILE 573 1HG1 ILE 573 6.665 -5.441 8.745 420 HG13 ILE 573 2HG1 ILE 573 6.704 -4.368 10.128 421 HG21 ILE 573 1HG2 ILE 573 8.496 -2.072 8.541 422 HG22 ILE 573 2HG2 ILE 573 8.409 -2.556 10.252 423 HG23 ILE 573 3HG2 ILE 573 9.929 -2.715 9.371 424 HD11 ILE 573 3HD1 ILE 573 6.092 -2.454 8.813 425 HD12 ILE 573 1HD1 ILE 573 6.407 -3.313 7.291 426 HD13 ILE 573 2HD1 ILE 573 5.031 -3.776 8.284 427 H VAL 574 H VAL 574 9.754 -2.562 6.323 428 HA VAL 574 HA VAL 574 12.665 -3.155 6.584 429 HB VAL 574 HB VAL 574 11.171 -2.050 4.189 430 HG11 VAL 574 1HG1 VAL 574 13.525 -1.208 4.487 431 HG12 VAL 574 2HG1 VAL 574 14.087 -2.888 4.390 432 HG13 VAL 574 3HG1 VAL 574 13.242 -2.119 3.017 433 HG21 VAL 574 3HG2 VAL 574 12.001 -4.818 4.898 434 HG22 VAL 574 1HG2 VAL 574 10.585 -4.247 4.021 435 HG23 VAL 574 2HG2 VAL 574 12.169 -4.302 3.211 436 H ASP 575 H ASP 575 13.296 -1.546 7.987 437 HA ASP 575 HA ASP 575 12.219 1.218 7.667 438 HB2 ASP 575 1HB ASP 575 12.533 0.977 9.942 439 HB3 ASP 575 2HB ASP 575 13.789 -0.238 9.757 440 H TYR 576 H TYR 576 13.020 1.986 5.731 441 HA TYR 576 HA TYR 576 15.779 2.721 5.886 442 HD1 TYR 576 2HD TYR 576 18.265 1.994 5.013 443 HD2 TYR 576 1HD TYR 576 15.634 2.167 1.650 444 HE1 TYR 576 2HE TYR 576 20.064 3.080 3.710 445 HE2 TYR 576 1HE TYR 576 17.429 3.340 0.309 446 HH TYR 576 HH TYR 576 20.592 4.163 1.692 447 HB2 TYR 576 1HB TYR 576 16.165 0.575 4.777 448 HB3 TYR 576 2HB TYR 576 14.983 0.974 3.533 449 H GLY 577 H GLY 577 14.853 4.803 6.022 450 HA2 GLY 577 1HA GLY 577 14.626 6.842 4.938 451 HA3 GLY 577 2HA GLY 577 14.375 6.031 3.396 452 H VAL 578 H VAL 578 12.364 4.668 3.308 453 HA VAL 578 HA VAL 578 10.034 5.870 4.713 454 HB VAL 578 HB VAL 578 10.387 4.731 1.931 455 HG11 VAL 578 1HG1 VAL 578 7.732 4.977 3.389 456 HG12 VAL 578 2HG1 VAL 578 7.920 4.817 1.621 457 HG13 VAL 578 3HG1 VAL 578 8.459 3.513 2.671 458 HG21 VAL 578 3HG2 VAL 578 9.055 7.228 2.984 459 HG22 VAL 578 1HG2 VAL 578 10.657 7.110 2.233 460 HG23 VAL 578 2HG2 VAL 578 9.212 6.772 1.268 461 H ARG 579 H ARG 579 8.649 4.283 5.590 462 HA ARG 579 HA ARG 579 10.022 1.768 6.324 463 HE ARG 579 HE ARG 579 9.773 2.887 11.082 464 HB2 ARG 579 1HB ARG 579 7.503 3.214 7.159 465 HB3 ARG 579 2HB ARG 579 7.668 1.474 7.453 466 HG2 ARG 579 1HG ARG 579 9.734 1.833 8.705 467 HG3 ARG 579 2HG ARG 579 9.610 3.589 8.453 468 HD2 ARG 579 1HD ARG 579 7.708 3.777 9.847 469 HD3 ARG 579 2HD ARG 579 7.291 2.072 9.650 470 HH11 ARG 579 2HH2 ARG 579 6.543 1.402 11.364 471 HH12 ARG 579 1HH2 ARG 579 7.027 0.350 12.678 472 HH21 ARG 579 2HH1 ARG 579 10.275 1.625 12.943 473 HH22 ARG 579 1HH1 ARG 579 9.109 0.511 13.585 474 H PHE 580 H PHE 580 9.753 0.002 5.040 475 HA PHE 580 HA PHE 580 7.415 0.043 3.130 476 HD1 PHE 580 1HD PHE 580 7.967 0.697 0.325 477 HD2 PHE 580 2HD PHE 580 11.458 0.902 2.836 478 HE1 PHE 580 1HE PHE 580 8.743 2.705 -0.932 479 HE2 PHE 580 2HE PHE 580 12.244 2.860 1.569 480 HZ PHE 580 HZ PHE 580 10.914 3.743 -0.338 481 HB2 PHE 580 1HB PHE 580 10.100 -1.232 2.599 482 HB3 PHE 580 2HB PHE 580 8.708 -1.292 1.563 483 H PHE 581 H PHE 581 6.506 -2.046 2.577 484 HA PHE 581 HA PHE 581 7.055 -4.289 4.453 485 HD1 PHE 581 2HD PHE 581 6.276 -5.472 6.239 486 HD2 PHE 581 1HD PHE 581 2.437 -4.775 4.412 487 HE1 PHE 581 2HE PHE 581 5.326 -7.413 7.469 488 HE2 PHE 581 1HE PHE 581 1.507 -6.719 5.650 489 HZ PHE 581 HZ PHE 581 2.954 -8.037 7.156 490 HB2 PHE 581 1HB PHE 581 5.130 -3.015 5.398 491 HB3 PHE 581 2HB PHE 581 4.231 -3.274 3.945 492 H PHE 582 H PHE 582 8.080 -5.353 2.721 493 HA PHE 582 HA PHE 582 6.681 -5.641 0.160 494 HD1 PHE 582 2HD PHE 582 8.392 -4.718 -1.765 495 HD2 PHE 582 1HD PHE 582 10.635 -5.221 1.862 496 HE1 PHE 582 2HE PHE 582 9.554 -2.539 -2.177 497 HE2 PHE 582 1HE PHE 582 11.850 -3.077 1.399 498 HZ PHE 582 HZ PHE 582 11.321 -1.759 -0.596 499 HB2 PHE 582 1HB PHE 582 9.185 -6.934 1.156 500 HB3 PHE 582 2HB PHE 582 8.600 -7.026 -0.478 501 H TYR 583 H TYR 583 5.646 -7.568 -0.536 502 HA TYR 583 HA TYR 583 5.704 -9.983 1.140 503 HD1 TYR 583 1HD TYR 583 3.454 -6.326 0.743 504 HD2 TYR 583 2HD TYR 583 1.859 -10.201 -0.167 505 HE1 TYR 583 1HE TYR 583 1.836 -5.285 -0.792 506 HE2 TYR 583 2HE TYR 583 0.446 -9.256 -1.936 507 HH TYR 583 HH TYR 583 0.122 -5.698 -2.464 508 HB2 TYR 583 1HB TYR 583 3.382 -9.968 1.614 509 HB3 TYR 583 2HB TYR 583 3.988 -8.400 2.134 510 H THR 584 H THR 584 3.968 -11.654 0.015 511 HA THR 584 HA THR 584 4.925 -11.750 -2.761 512 HB THR 584 HB THR 584 4.425 -14.137 -2.519 513 HG1 THR 584 1HG THR 584 3.731 -14.509 -0.053 514 HG21 THR 584 3HG2 THR 584 6.032 -14.684 -0.834 515 HG22 THR 584 1HG2 THR 584 6.544 -13.134 -1.535 516 HG23 THR 584 2HG2 THR 584 5.760 -13.164 0.039 517 H SER 585 H SER 585 3.428 -12.570 -4.551 518 HA SER 585 HA SER 585 0.737 -11.462 -4.180 519 HG SER 585 HG SER 585 2.521 -12.779 -7.595 520 HB2 SER 585 1HB SER 585 0.460 -12.088 -6.562 521 HB3 SER 585 2HB SER 585 1.891 -11.122 -6.266 522 H LYS 586 H LYS 586 2.380 -14.436 -3.748 523 HA LYS 586 HA LYS 586 0.263 -16.317 -4.144 524 HB2 LYS 586 1HB LYS 586 2.714 -16.462 -2.382 525 HB3 LYS 586 2HB LYS 586 1.639 -17.821 -2.691 526 HG2 LYS 586 1HG LYS 586 3.029 -16.336 -4.963 527 HG3 LYS 586 2HG LYS 586 3.780 -17.598 -4.031 528 HD2 LYS 586 1HD LYS 586 3.072 -18.596 -5.997 529 HD3 LYS 586 2HD LYS 586 2.018 -19.221 -4.726 530 HE2 LYS 586 1HE LYS 586 0.146 -17.977 -5.543 531 HE3 LYS 586 2HE LYS 586 1.182 -16.859 -6.433 532 HZ1 LYS 586 3HZ LYS 586 0.604 -19.663 -7.184 533 HZ2 LYS 586 1HZ LYS 586 0.199 -18.302 -7.985 534 HZ3 LYS 586 2HZ LYS 586 1.770 -18.757 -7.892 535 H GLU 587 H GLU 587 1.062 -14.162 -1.387 536 HA GLU 587 HA GLU 587 -0.230 -15.704 0.566 537 HB2 GLU 587 1HB GLU 587 1.036 -13.071 0.374 538 HB3 GLU 587 2HB GLU 587 -0.398 -12.990 1.385 539 HG2 GLU 587 1HG GLU 587 1.543 -13.496 2.744 540 HG3 GLU 587 2HG GLU 587 0.401 -14.813 2.806 541 HA PRO 588 HA PRO 588 -4.583 -14.449 0.209 542 HB2 PRO 588 1HB PRO 588 -5.042 -14.463 3.056 543 HB3 PRO 588 2HB PRO 588 -5.466 -15.726 1.870 544 HG2 PRO 588 1HG PRO 588 -3.540 -16.034 3.900 545 HG3 PRO 588 2HG PRO 588 -3.699 -17.009 2.428 546 HD2 PRO 588 1HD PRO 588 -1.839 -14.714 2.917 547 HD3 PRO 588 2HD PRO 588 -1.538 -16.257 2.073 548 H VAL 589 H VAL 589 -5.133 -12.323 -0.113 549 HA VAL 589 HA VAL 589 -3.841 -10.085 0.879 550 HB VAL 589 HB VAL 589 -6.844 -10.164 0.341 551 HG11 VAL 589 1HG1 VAL 589 -4.778 -8.035 -0.370 552 HG12 VAL 589 2HG1 VAL 589 -6.549 -7.901 -0.446 553 HG13 VAL 589 3HG1 VAL 589 -5.729 -7.988 1.119 554 HG21 VAL 589 3HG2 VAL 589 -5.885 -11.325 -1.545 555 HG22 VAL 589 1HG2 VAL 589 -6.262 -9.695 -2.068 556 HG23 VAL 589 2HG2 VAL 589 -4.583 -10.101 -1.687 557 H ALA 590 H ALA 590 -6.592 -11.857 2.397 558 HA ALA 590 HA ALA 590 -7.026 -9.950 4.495 559 HB1 ALA 590 1HB ALA 590 -8.683 -11.664 3.897 560 HB2 ALA 590 2HB ALA 590 -7.583 -12.945 4.465 561 HB3 ALA 590 3HB ALA 590 -8.254 -11.772 5.614 562 H SER 591 H SER 591 -4.873 -12.834 4.314 563 HA SER 591 HA SER 591 -4.080 -12.726 7.080 564 HG SER 591 HG SER 591 -1.896 -15.378 6.289 565 HB2 SER 591 1HB SER 591 -3.909 -14.741 5.684 566 HB3 SER 591 2HB SER 591 -2.721 -13.929 4.645 567 H ILE 592 H ILE 592 -2.590 -11.461 3.968 568 HA ILE 592 HA ILE 592 -0.374 -10.415 5.234 569 HB ILE 592 HB ILE 592 -1.327 -10.817 2.641 570 HG12 ILE 592 1HG1 ILE 592 0.896 -11.203 3.485 571 HG13 ILE 592 2HG1 ILE 592 0.912 -10.313 1.972 572 HG21 ILE 592 1HG2 ILE 592 -0.885 -8.726 1.409 573 HG22 ILE 592 2HG2 ILE 592 -2.378 -8.688 2.349 574 HG23 ILE 592 3HG2 ILE 592 -0.957 -7.826 2.950 575 HD11 ILE 592 3HD1 ILE 592 2.540 -9.478 3.717 576 HD12 ILE 592 1HD1 ILE 592 1.407 -8.233 3.135 577 HD13 ILE 592 2HD1 ILE 592 1.167 -9.018 4.717 578 H ILE 593 H ILE 593 -3.583 -8.967 4.642 579 HA ILE 593 HA ILE 593 -2.919 -6.430 5.745 580 HB ILE 593 HB ILE 593 -5.516 -7.885 5.215 581 HG12 ILE 593 1HG1 ILE 593 -4.160 -5.353 4.131 582 HG13 ILE 593 2HG1 ILE 593 -4.162 -6.923 3.342 583 HG21 ILE 593 1HG2 ILE 593 -6.766 -5.848 5.852 584 HG22 ILE 593 2HG2 ILE 593 -5.918 -6.509 7.246 585 HG23 ILE 593 3HG2 ILE 593 -5.255 -5.097 6.419 586 HD11 ILE 593 3HD1 ILE 593 -6.520 -5.058 3.732 587 HD12 ILE 593 1HD1 ILE 593 -5.777 -5.599 2.221 588 HD13 ILE 593 2HD1 ILE 593 -6.691 -6.753 3.218 589 H THR 594 H THR 594 -4.484 -9.253 7.407 590 HA THR 594 HA THR 594 -4.516 -8.417 9.986 591 HB THR 594 HB THR 594 -3.427 -11.104 9.081 592 HG1 THR 594 1HG THR 594 -5.430 -10.665 8.086 593 HG21 THR 594 3HG2 THR 594 -4.954 -10.296 11.606 594 HG22 THR 594 1HG2 THR 594 -4.504 -11.958 11.151 595 HG23 THR 594 2HG2 THR 594 -3.250 -10.778 11.541 596 H LYS 595 H LYS 595 -1.424 -9.700 8.499 597 HA LYS 595 HA LYS 595 0.123 -9.480 10.875 598 HB2 LYS 595 1HB LYS 595 0.770 -9.415 7.904 599 HB3 LYS 595 2HB LYS 595 2.007 -9.497 9.146 600 HG2 LYS 595 1HG LYS 595 1.558 -11.673 9.746 601 HG3 LYS 595 2HG LYS 595 -0.159 -11.566 9.306 602 HD2 LYS 595 1HD LYS 595 0.369 -11.497 6.955 603 HD3 LYS 595 2HD LYS 595 2.122 -11.540 7.308 604 HE2 LYS 595 1HE LYS 595 1.337 -13.734 8.700 605 HE3 LYS 595 2HE LYS 595 0.073 -13.741 7.460 606 HZ1 LYS 595 3HZ LYS 595 1.926 -15.036 6.728 607 HZ2 LYS 595 1HZ LYS 595 2.003 -13.641 5.818 608 HZ3 LYS 595 2HZ LYS 595 3.001 -13.861 7.070 609 H LEU 596 H LEU 596 -0.953 -7.045 8.627 610 HA LEU 596 HA LEU 596 1.042 -5.064 9.367 611 HG LEU 596 HG LEU 596 -1.774 -3.495 8.078 612 HB2 LEU 596 1HB LEU 596 0.711 -4.973 7.116 613 HB3 LEU 596 2HB LEU 596 -0.845 -5.737 7.174 614 HD11 LEU 596 1HD1 LEU 596 -0.417 -1.595 7.638 615 HD12 LEU 596 2HD1 LEU 596 0.622 -2.704 8.534 616 HD13 LEU 596 3HD1 LEU 596 0.827 -2.578 6.777 617 HD21 LEU 596 3HD2 LEU 596 -2.204 -2.763 5.877 618 HD22 LEU 596 1HD2 LEU 596 -0.702 -3.488 5.249 619 HD23 LEU 596 2HD2 LEU 596 -2.090 -4.487 5.781 620 H ASN 597 H ASN 597 -2.458 -5.810 9.664 621 HA ASN 597 HA ASN 597 -3.424 -3.572 10.998 622 HB2 ASN 597 1HB ASN 597 -4.129 -6.471 11.677 623 HB3 ASN 597 2HB ASN 597 -5.072 -5.045 12.085 624 HD21 ASN 597 1HD2 ASN 597 -6.535 -6.798 10.957 625 HD22 ASN 597 2HD2 ASN 597 -6.742 -6.605 9.208 626 H SER 598 H SER 598 -1.643 -6.365 12.317 627 HA SER 598 HA SER 598 -1.975 -5.831 15.044 628 HG SER 598 HG SER 598 0.998 -8.186 13.623 629 HB2 SER 598 1HB SER 598 -0.414 -7.542 15.358 630 HB3 SER 598 2HB SER 598 -1.146 -7.909 13.789 631 H LEU 599 H LEU 599 0.555 -4.838 12.834 632 HA LEU 599 HA LEU 599 2.215 -3.309 14.562 633 HG LEU 599 HG LEU 599 1.961 -5.074 11.693 634 HB2 LEU 599 1HB LEU 599 1.760 -2.582 11.661 635 HB3 LEU 599 2HB LEU 599 3.241 -2.447 12.599 636 HD11 LEU 599 1HD1 LEU 599 3.751 -5.106 9.995 637 HD12 LEU 599 2HD1 LEU 599 2.750 -3.656 9.800 638 HD13 LEU 599 3HD1 LEU 599 4.339 -3.525 10.575 639 HD21 LEU 599 3HD2 LEU 599 4.736 -4.507 12.831 640 HD22 LEU 599 1HD2 LEU 599 3.409 -5.339 13.687 641 HD23 LEU 599 2HD2 LEU 599 4.104 -6.078 12.236 642 H ASN 600 H ASN 600 -0.746 -2.592 12.890 643 HA ASN 600 HA ASN 600 -2.202 -0.921 12.824 644 HB2 ASN 600 1HB ASN 600 -2.045 -1.244 15.285 645 HB3 ASN 600 2HB ASN 600 -0.933 0.127 15.361 646 HD21 ASN 600 1HD2 ASN 600 -1.845 2.185 15.490 647 HD22 ASN 600 2HD2 ASN 600 -3.570 2.469 15.296 648 H GLU 601 H GLU 601 0.416 -0.584 11.465 649 HA GLU 601 HA GLU 601 1.273 2.080 11.849 650 HB2 GLU 601 1HB GLU 601 1.781 -0.010 9.751 651 HB3 GLU 601 2HB GLU 601 2.483 1.606 9.596 652 HG2 GLU 601 1HG GLU 601 2.813 0.023 12.173 653 HG3 GLU 601 2HG GLU 601 3.854 -0.291 10.789 654 HA PRO 602 HA PRO 602 -1.536 4.164 8.980 655 HB2 PRO 602 1HB PRO 602 -0.087 6.488 8.570 656 HB3 PRO 602 2HB PRO 602 -1.030 6.184 10.027 657 HG2 PRO 602 1HG PRO 602 1.937 5.843 9.627 658 HG3 PRO 602 2HG PRO 602 1.052 6.511 11.038 659 HD2 PRO 602 1HD PRO 602 1.997 3.903 10.948 660 HD3 PRO 602 2HD PRO 602 0.529 4.398 11.848 661 H LEU 603 H LEU 603 -1.706 3.883 6.772 662 HA LEU 603 HA LEU 603 0.806 3.333 5.249 663 HG LEU 603 HG LEU 603 -1.533 1.492 6.746 664 HB2 LEU 603 1HB LEU 603 -1.913 2.340 4.433 665 HB3 LEU 603 2HB LEU 603 -0.319 1.745 3.965 666 HD11 LEU 603 1HD1 LEU 603 -2.656 0.196 4.888 667 HD12 LEU 603 2HD1 LEU 603 -1.136 -0.710 4.700 668 HD13 LEU 603 3HD1 LEU 603 -2.021 -0.712 6.256 669 HD21 LEU 603 3HD2 LEU 603 0.378 0.301 7.371 670 HD22 LEU 603 1HD2 LEU 603 0.897 -0.018 5.685 671 HD23 LEU 603 2HD2 LEU 603 1.066 1.575 6.431 672 H VAL 604 H VAL 604 0.703 3.581 2.866 673 HA VAL 604 HA VAL 604 -1.234 5.393 1.752 674 HB VAL 604 HB VAL 604 0.099 7.051 2.822 675 HG11 VAL 604 1HG1 VAL 604 2.609 5.841 1.649 676 HG12 VAL 604 2HG1 VAL 604 2.496 7.330 2.602 677 HG13 VAL 604 3HG1 VAL 604 2.124 5.768 3.349 678 HG21 VAL 604 3HG2 VAL 604 0.929 8.419 1.045 679 HG22 VAL 604 1HG2 VAL 604 1.100 7.017 -0.033 680 HG23 VAL 604 2HG2 VAL 604 -0.516 7.562 0.467 681 H THR 605 H THR 605 -1.746 3.605 0.368 682 HA THR 605 HA THR 605 0.086 3.237 -1.850 683 HB THR 605 HB THR 605 0.076 1.603 0.597 684 HG1 THR 605 1HG THR 605 1.766 2.567 -0.606 685 HG21 THR 605 3HG2 THR 605 -1.449 0.193 -0.471 686 HG22 THR 605 1HG2 THR 605 -0.398 0.038 -1.919 687 HG23 THR 605 2HG2 THR 605 0.166 -0.568 -0.355 688 H MET 606 H MET 606 -0.937 1.893 -3.531 689 HA MET 606 HA MET 606 -3.779 2.450 -3.756 690 HB2 MET 606 1HB MET 606 -1.911 0.804 -5.539 691 HB3 MET 606 2HB MET 606 -3.530 1.344 -5.956 692 HG2 MET 606 1HG MET 606 -2.618 3.733 -5.405 693 HG3 MET 606 2HG MET 606 -1.048 2.999 -5.640 694 HE1 MET 606 3HE MET 606 -0.703 1.405 -8.059 695 HE2 MET 606 1HE MET 606 -2.369 0.792 -8.001 696 HE3 MET 606 2HE MET 606 -1.787 1.618 -9.449 697 HA PRO 607 HA PRO 607 -5.697 -1.051 -2.175 698 HB2 PRO 607 1HB PRO 607 -6.800 -1.978 -4.794 699 HB3 PRO 607 2HB PRO 607 -7.618 -1.680 -3.251 700 HG2 PRO 607 1HG PRO 607 -7.739 0.138 -5.243 701 HG3 PRO 607 2HG PRO 607 -7.642 0.649 -3.532 702 HD2 PRO 607 1HD PRO 607 -5.499 0.575 -5.643 703 HD3 PRO 607 2HD PRO 607 -5.759 1.776 -4.349 704 H ILE 608 H ILE 608 -4.900 -2.767 -1.495 705 HA ILE 608 HA ILE 608 -2.741 -4.158 -2.828 706 HB ILE 608 HB ILE 608 -3.942 -3.994 -0.051 707 HG12 ILE 608 1HG1 ILE 608 -2.346 -2.265 -0.908 708 HG13 ILE 608 2HG1 ILE 608 -1.877 -3.020 0.600 709 HG21 ILE 608 1HG2 ILE 608 -3.451 -6.319 -0.048 710 HG22 ILE 608 2HG2 ILE 608 -1.825 -6.046 -0.709 711 HG23 ILE 608 3HG2 ILE 608 -2.256 -5.490 0.915 712 HD11 ILE 608 3HD1 ILE 608 -0.724 -3.847 -2.101 713 HD12 ILE 608 1HD1 ILE 608 0.036 -2.704 -0.989 714 HD13 ILE 608 2HD1 ILE 608 -0.203 -4.375 -0.488 715 H GLY 609 H GLY 609 -6.070 -4.901 -2.490 716 HA2 GLY 609 1HA GLY 609 -5.510 -7.638 -3.510 717 HA3 GLY 609 2HA GLY 609 -6.923 -7.248 -2.516 718 H TYR 610 H TYR 610 -5.307 -6.383 -5.555 719 HA TYR 610 HA TYR 610 -7.974 -5.865 -6.845 720 HD1 TYR 610 2HD TYR 610 -9.366 -4.622 -7.814 721 HD2 TYR 610 1HD TYR 610 -5.847 -2.227 -8.745 722 HE1 TYR 610 2HE TYR 610 -10.597 -3.458 -9.510 723 HE2 TYR 610 1HE TYR 610 -7.095 -1.181 -10.594 724 HH TYR 610 HH TYR 610 -9.166 -2.103 -12.084 725 HB2 TYR 610 1HB TYR 610 -7.003 -3.701 -6.089 726 HB3 TYR 610 2HB TYR 610 -5.627 -3.977 -7.135 727 H VAL 611 H VAL 611 -6.573 -5.196 -9.309 728 HA VAL 611 HA VAL 611 -6.003 -7.198 -10.835 729 HB VAL 611 HB VAL 611 -3.972 -5.947 -11.759 730 HG11 VAL 611 1HG1 VAL 611 -5.340 -4.060 -12.584 731 HG12 VAL 611 2HG1 VAL 611 -6.291 -5.538 -12.547 732 HG13 VAL 611 3HG1 VAL 611 -6.528 -4.316 -11.286 733 HG21 VAL 611 3HG2 VAL 611 -3.022 -4.806 -9.903 734 HG22 VAL 611 1HG2 VAL 611 -3.665 -3.589 -10.988 735 HG23 VAL 611 2HG2 VAL 611 -4.545 -3.983 -9.507 736 H THR 612 H THR 612 -3.450 -6.259 -8.507 737 HA THR 612 HA THR 612 -1.570 -8.260 -9.064 738 HB THR 612 HB THR 612 -0.792 -7.744 -6.726 739 HG1 THR 612 1HG THR 612 -1.996 -6.012 -5.680 740 HG21 THR 612 3HG2 THR 612 -0.130 -5.516 -7.198 741 HG22 THR 612 1HG2 THR 612 -0.267 -6.344 -8.755 742 HG23 THR 612 2HG2 THR 612 -1.541 -5.211 -8.233 743 H HIS 613 H HIS 613 -4.541 -8.512 -7.275 744 HA HIS 613 HA HIS 613 -3.985 -11.298 -6.557 745 HD1 HIS 613 1HD HIS 613 -2.351 -9.606 -4.630 746 HD2 HIS 613 2HD HIS 613 -5.115 -12.597 -3.382 747 HE1 HIS 613 1HE HIS 613 -1.140 -11.129 -3.029 748 HE2 HIS 613 2HE HIS 613 -2.748 -12.936 -2.296 749 HB2 HIS 613 1HB HIS 613 -5.334 -9.211 -5.021 750 HB3 HIS 613 2HB HIS 613 -6.105 -10.791 -5.002 751 H GLY 614 H GLY 614 -5.309 -9.723 -9.044 752 HA2 GLY 614 1HA GLY 614 -6.925 -10.102 -10.585 753 HA3 GLY 614 2HA GLY 614 -7.158 -11.718 -9.906 754 H PHE 615 H PHE 615 -7.562 -8.758 -7.949 755 HA PHE 615 HA PHE 615 -10.327 -9.674 -7.247 756 HD1 PHE 615 2HD PHE 615 -8.971 -11.139 -5.964 757 HD2 PHE 615 1HD PHE 615 -9.447 -7.800 -3.333 758 HE1 PHE 615 2HE PHE 615 -8.605 -12.634 -4.004 759 HE2 PHE 615 1HE PHE 615 -9.130 -9.203 -1.388 760 HZ PHE 615 HZ PHE 615 -8.653 -11.675 -1.679 761 HB2 PHE 615 1HB PHE 615 -8.193 -8.013 -6.021 762 HB3 PHE 615 2HB PHE 615 -9.843 -7.573 -5.660 763 H ASN 616 H ASN 616 -11.874 -8.204 -7.157 764 HA ASN 616 HA ASN 616 -11.925 -6.107 -9.247 765 HB2 ASN 616 1HB ASN 616 -13.863 -7.757 -8.669 766 HB3 ASN 616 2HB ASN 616 -14.103 -6.795 -7.216 767 HD21 ASN 616 1HD2 ASN 616 -16.322 -6.731 -8.230 768 HD22 ASN 616 2HD2 ASN 616 -16.624 -5.409 -9.294 769 H LEU 617 H LEU 617 -13.212 -4.117 -8.564 770 HA LEU 617 HA LEU 617 -11.543 -2.597 -6.764 771 HG LEU 617 HG LEU 617 -13.283 -0.014 -6.509 772 HB2 LEU 617 1HB LEU 617 -12.729 -1.822 -8.891 773 HB3 LEU 617 2HB LEU 617 -14.219 -1.767 -7.957 774 HD11 LEU 617 1HD1 LEU 617 -10.737 -0.423 -8.160 775 HD12 LEU 617 2HD1 LEU 617 -11.044 1.034 -7.186 776 HD13 LEU 617 3HD1 LEU 617 -10.936 -0.525 -6.392 777 HD21 LEU 617 3HD2 LEU 617 -13.008 1.776 -8.180 778 HD22 LEU 617 1HD2 LEU 617 -12.693 0.535 -9.444 779 HD23 LEU 617 2HD2 LEU 617 -14.291 0.666 -8.677 780 H GLU 618 H GLU 618 -14.961 -3.666 -6.628 781 HA GLU 618 HA GLU 618 -15.593 -2.989 -3.972 782 HB2 GLU 618 1HB GLU 618 -17.147 -3.796 -5.742 783 HB3 GLU 618 2HB GLU 618 -16.407 -5.401 -5.645 784 HG2 GLU 618 1HG GLU 618 -17.191 -5.440 -3.187 785 HG3 GLU 618 2HG GLU 618 -18.112 -3.984 -3.558 786 H GLU 619 H GLU 619 -13.943 -5.890 -5.237 787 HA GLU 619 HA GLU 619 -13.916 -7.328 -2.769 788 HB2 GLU 619 1HB GLU 619 -12.139 -7.530 -5.224 789 HB3 GLU 619 2HB GLU 619 -12.219 -8.739 -3.957 790 HG2 GLU 619 1HG GLU 619 -14.803 -7.960 -5.358 791 HG3 GLU 619 2HG GLU 619 -13.639 -8.903 -6.255 792 H ALA 620 H ALA 620 -11.410 -5.348 -4.425 793 HA ALA 620 HA ALA 620 -9.495 -5.397 -2.401 794 HB1 ALA 620 1HB ALA 620 -8.448 -3.716 -3.521 795 HB2 ALA 620 2HB ALA 620 -9.508 -4.292 -4.806 796 HB3 ALA 620 3HB ALA 620 -9.978 -2.854 -3.896 797 H ALA 621 H ALA 621 -12.267 -3.135 -2.723 798 HA ALA 621 HA ALA 621 -11.744 -1.515 -0.443 799 HB1 ALA 621 1HB ALA 621 -14.340 -2.281 -1.852 800 HB2 ALA 621 2HB ALA 621 -14.194 -1.044 -0.607 801 HB3 ALA 621 3HB ALA 621 -13.333 -0.847 -2.145 802 H ARG 622 H ARG 622 -13.779 -4.543 -0.781 803 HA ARG 622 HA ARG 622 -14.578 -4.549 1.897 804 HE ARG 622 HE ARG 622 -14.241 -10.263 -1.343 805 HB2 ARG 622 1HB ARG 622 -15.609 -6.528 1.509 806 HB3 ARG 622 2HB ARG 622 -15.316 -6.044 -0.151 807 HG2 ARG 622 1HG ARG 622 -13.267 -7.575 -0.112 808 HG3 ARG 622 2HG ARG 622 -13.788 -8.106 1.483 809 HD2 ARG 622 1HD ARG 622 -15.927 -8.838 0.469 810 HD3 ARG 622 2HD ARG 622 -15.350 -8.318 -1.112 811 HH11 ARG 622 2HH2 ARG 622 -15.038 -9.997 2.106 812 HH12 ARG 622 1HH2 ARG 622 -14.315 -11.494 2.546 813 HH21 ARG 622 2HH1 ARG 622 -13.347 -12.310 -0.773 814 HH22 ARG 622 1HH1 ARG 622 -13.387 -12.831 0.883 815 H CYS 623 H CYS 623 -11.760 -5.968 0.370 816 HA CYS 623 HA CYS 623 -10.752 -7.195 2.761 817 HG CYS 623 HG CYS 623 -8.268 -7.590 2.892 818 HB2 CYS 623 1HB CYS 623 -10.182 -7.628 0.243 819 HB3 CYS 623 2HB CYS 623 -8.956 -6.372 0.467 820 H MET 624 H MET 624 -10.293 -3.943 1.326 821 HA MET 624 HA MET 624 -8.186 -3.149 3.123 822 HB2 MET 624 1HB MET 624 -9.931 -1.768 1.078 823 HB3 MET 624 2HB MET 624 -9.271 -0.781 2.354 824 HG2 MET 624 1HG MET 624 -7.000 -2.092 1.721 825 HG3 MET 624 2HG MET 624 -7.833 -2.164 0.158 826 HE1 MET 624 3HE MET 624 -5.069 0.897 0.206 827 HE2 MET 624 1HE MET 624 -5.002 -0.279 1.548 828 HE3 MET 624 2HE MET 624 -5.219 -0.851 -0.123 829 H ARG 625 H ARG 625 -11.771 -2.619 3.194 830 HA ARG 625 HA ARG 625 -11.860 -0.952 5.448 831 HE ARG 625 HE ARG 625 -15.901 -2.530 6.272 832 HB2 ARG 625 1HB ARG 625 -14.065 -1.390 5.633 833 HB3 ARG 625 2HB ARG 625 -13.635 -1.257 3.891 834 HG2 ARG 625 1HG ARG 625 -13.613 -3.608 3.686 835 HG3 ARG 625 2HG ARG 625 -13.830 -3.757 5.444 836 HD2 ARG 625 1HD ARG 625 -15.820 -2.423 3.567 837 HD3 ARG 625 2HD ARG 625 -15.864 -4.177 3.850 838 HH11 ARG 625 2HH2 ARG 625 -18.016 -3.872 3.723 839 HH12 ARG 625 1HH2 ARG 625 -19.429 -3.826 4.739 840 HH21 ARG 625 2HH1 ARG 625 -17.669 -2.658 7.574 841 HH22 ARG 625 1HH1 ARG 625 -19.180 -3.352 7.037 842 H SER 626 H SER 626 -11.325 -4.296 5.353 843 HA SER 626 HA SER 626 -11.658 -4.825 8.164 844 HG SER 626 HG SER 626 -12.250 -6.367 5.221 845 HB2 SER 626 1HB SER 626 -10.225 -6.460 6.028 846 HB3 SER 626 2HB SER 626 -10.863 -7.044 7.579 847 H LEU 627 H LEU 627 -9.113 -3.151 6.611 848 HA LEU 627 HA LEU 627 -6.913 -4.026 8.336 849 HG LEU 627 HG LEU 627 -5.946 -0.809 8.262 850 HB2 LEU 627 1HB LEU 627 -6.341 -2.994 6.160 851 HB3 LEU 627 2HB LEU 627 -7.423 -1.645 6.505 852 HD11 LEU 627 1HD1 LEU 627 -4.630 -2.577 9.043 853 HD12 LEU 627 2HD1 LEU 627 -4.124 -3.057 7.407 854 HD13 LEU 627 3HD1 LEU 627 -3.508 -1.567 8.156 855 HD21 LEU 627 3HD2 LEU 627 -5.877 0.175 6.116 856 HD22 LEU 627 1HD2 LEU 627 -4.258 0.109 6.762 857 HD23 LEU 627 2HD2 LEU 627 -4.738 -1.074 5.508 858 H LYS 628 H LYS 628 -6.603 -3.340 10.354 859 HA LYS 628 HA LYS 628 -8.605 -1.598 11.513 860 HB2 LYS 628 1HB LYS 628 -6.341 -3.152 12.801 861 HB3 LYS 628 2HB LYS 628 -7.611 -2.309 13.687 862 HG2 LYS 628 1HG LYS 628 -8.003 -4.674 11.804 863 HG3 LYS 628 2HG LYS 628 -8.058 -4.675 13.553 864 HD2 LYS 628 1HD LYS 628 -9.971 -2.701 12.736 865 HD3 LYS 628 2HD LYS 628 -10.173 -4.070 11.650 866 HE2 LYS 628 1HE LYS 628 -11.645 -4.372 13.508 867 HE3 LYS 628 2HE LYS 628 -10.338 -5.555 13.691 868 HZ1 LYS 628 3HZ LYS 628 -10.847 -4.445 15.755 869 HZ2 LYS 628 1HZ LYS 628 -9.318 -4.071 15.320 870 HZ3 LYS 628 2HZ LYS 628 -10.516 -2.963 15.093 871 H ALA 629 H ALA 629 -6.199 -0.469 9.869 872 HA ALA 629 HA ALA 629 -5.285 1.586 11.802 873 HB1 ALA 629 1HB ALA 629 -3.573 0.272 9.647 874 HB2 ALA 629 2HB ALA 629 -3.032 1.387 10.903 875 HB3 ALA 629 3HB ALA 629 -3.568 -0.236 11.348 876 HA PRO 630 HA PRO 630 -6.490 4.323 8.516 877 HB2 PRO 630 1HB PRO 630 -4.652 6.358 8.624 878 HB3 PRO 630 2HB PRO 630 -5.983 6.125 9.796 879 HG2 PRO 630 1HG PRO 630 -3.075 5.414 10.062 880 HG3 PRO 630 2HG PRO 630 -4.181 6.088 11.294 881 HD2 PRO 630 1HD PRO 630 -3.495 3.453 11.142 882 HD3 PRO 630 2HD PRO 630 -5.087 3.986 11.760 883 H ALA 631 H ALA 631 -6.304 4.066 6.294 884 HA ALA 631 HA ALA 631 -3.614 3.755 5.097 885 HB1 ALA 631 1HB ALA 631 -5.192 1.887 4.690 886 HB2 ALA 631 2HB ALA 631 -6.358 3.042 4.001 887 HB3 ALA 631 3HB ALA 631 -4.816 2.759 3.198 888 H VAL 632 H VAL 632 -3.682 4.621 2.864 889 HA VAL 632 HA VAL 632 -5.196 7.068 2.330 890 HB VAL 632 HB VAL 632 -2.183 7.033 2.500 891 HG11 VAL 632 1HG1 VAL 632 -2.183 9.249 1.533 892 HG12 VAL 632 2HG1 VAL 632 -2.827 8.104 0.365 893 HG13 VAL 632 3HG1 VAL 632 -3.929 9.177 1.261 894 HG21 VAL 632 3HG2 VAL 632 -3.392 7.715 4.593 895 HG22 VAL 632 1HG2 VAL 632 -2.391 8.989 3.895 896 HG23 VAL 632 2HG2 VAL 632 -4.134 9.032 3.653 897 H VAL 633 H VAL 633 -6.219 6.127 0.541 898 HA VAL 633 HA VAL 633 -4.592 4.198 -1.026 899 HB VAL 633 HB VAL 633 -5.841 3.054 0.134 900 HG11 VAL 633 1HG1 VAL 633 -8.546 3.872 -0.043 901 HG12 VAL 633 2HG1 VAL 633 -7.662 2.804 1.050 902 HG13 VAL 633 3HG1 VAL 633 -7.356 4.518 1.165 903 HG21 VAL 633 3HG2 VAL 633 -5.884 2.240 -2.118 904 HG22 VAL 633 1HG2 VAL 633 -7.402 1.777 -1.339 905 HG23 VAL 633 2HG2 VAL 633 -7.384 3.136 -2.453 906 H SER 634 H SER 634 -4.014 4.881 -3.002 907 HA SER 634 HA SER 634 -5.709 6.905 -4.286 908 HG SER 634 HG SER 634 -3.367 7.829 -6.534 909 HB2 SER 634 1HB SER 634 -3.218 7.111 -4.328 910 HB3 SER 634 2HB SER 634 -3.192 5.751 -5.484 911 H VAL 635 H VAL 635 -7.048 6.569 -5.920 912 HA VAL 635 HA VAL 635 -6.920 4.071 -7.486 913 HB VAL 635 HB VAL 635 -9.365 4.166 -7.783 914 HG11 VAL 635 1HG1 VAL 635 -8.290 2.511 -6.266 915 HG12 VAL 635 2HG1 VAL 635 -8.454 3.650 -4.913 916 HG13 VAL 635 3HG1 VAL 635 -9.899 2.980 -5.692 917 HG21 VAL 635 3HG2 VAL 635 -9.796 6.480 -6.965 918 HG22 VAL 635 1HG2 VAL 635 -10.774 5.262 -6.122 919 HG23 VAL 635 2HG2 VAL 635 -9.363 5.972 -5.318 920 H SER 636 H SER 636 -8.354 4.474 -9.563 921 HA SER 636 HA SER 636 -6.587 5.816 -11.017 922 HG SER 636 HG SER 636 -7.734 3.570 -12.795 923 HB2 SER 636 1HB SER 636 -9.047 4.413 -11.519 924 HB3 SER 636 2HB SER 636 -9.029 5.837 -12.568 925 H SER 637 H SER 637 -9.609 7.332 -9.823 926 HA SER 637 HA SER 637 -8.642 9.968 -10.671 927 HG SER 637 HG SER 637 -11.103 8.635 -13.297 928 HB2 SER 637 1HB SER 637 -11.510 9.281 -11.214 929 HB3 SER 637 2HB SER 637 -10.482 10.473 -12.030 930 HA PRO 638 HA PRO 638 -10.651 10.902 -6.853 931 HB2 PRO 638 1HB PRO 638 -11.831 13.414 -7.471 932 HB3 PRO 638 2HB PRO 638 -10.205 13.124 -6.811 933 HG2 PRO 638 1HG PRO 638 -10.999 13.558 -9.670 934 HG3 PRO 638 2HG PRO 638 -9.496 14.049 -8.811 935 HD2 PRO 638 1HD PRO 638 -9.633 11.996 -10.557 936 HD3 PRO 638 2HD PRO 638 -8.539 11.982 -9.146 937 H ASP 639 H ASP 639 -12.633 11.016 -9.778 938 HA ASP 639 HA ASP 639 -15.166 10.827 -8.606 939 HB2 ASP 639 1HB ASP 639 -14.099 9.550 -11.167 940 HB3 ASP 639 2HB ASP 639 -15.796 9.732 -10.727 941 H ALA 640 H ALA 640 -12.730 8.310 -9.266 942 HA ALA 640 HA ALA 640 -14.531 6.069 -8.784 943 HB1 ALA 640 1HB ALA 640 -11.500 6.149 -9.126 944 HB2 ALA 640 2HB ALA 640 -12.532 4.706 -9.187 945 HB3 ALA 640 3HB ALA 640 -12.692 5.953 -10.437 946 H VAL 641 H VAL 641 -12.436 8.069 -6.881 947 HA VAL 641 HA VAL 641 -11.875 6.480 -4.590 948 HB VAL 641 HB VAL 641 -12.706 9.382 -4.879 949 HG11 VAL 641 1HG1 VAL 641 -12.826 8.830 -2.548 950 HG12 VAL 641 2HG1 VAL 641 -11.226 8.032 -2.609 951 HG13 VAL 641 3HG1 VAL 641 -11.376 9.791 -2.802 952 HG21 VAL 641 3HG2 VAL 641 -10.621 8.803 -6.180 953 HG22 VAL 641 1HG2 VAL 641 -10.244 9.878 -4.832 954 HG23 VAL 641 2HG2 VAL 641 -9.915 8.139 -4.718 955 H THR 642 H THR 642 -14.700 8.532 -5.416 956 HA THR 642 HA THR 642 -16.193 8.033 -3.137 957 HB THR 642 HB THR 642 -17.079 8.734 -5.948 958 HG1 THR 642 1HG THR 642 -16.645 10.862 -5.399 959 HG21 THR 642 3HG2 THR 642 -18.086 9.635 -3.188 960 HG22 THR 642 1HG2 THR 642 -18.740 10.168 -4.745 961 HG23 THR 642 2HG2 THR 642 -18.906 8.472 -4.249 962 H THR 643 H THR 643 -16.150 6.263 -6.301 963 HA THR 643 HA THR 643 -18.191 4.393 -5.745 964 HB THR 643 HB THR 643 -15.669 4.372 -7.434 965 HG1 THR 643 1HG THR 643 -18.412 4.394 -8.101 966 HG21 THR 643 3HG2 THR 643 -15.980 2.037 -7.045 967 HG22 THR 643 1HG2 THR 643 -17.731 2.166 -7.325 968 HG23 THR 643 2HG2 THR 643 -16.584 2.406 -8.663 969 H TYR 644 H TYR 644 -14.671 4.224 -5.044 970 HA TYR 644 HA TYR 644 -14.702 1.620 -3.926 971 HD1 TYR 644 1HD TYR 644 -12.111 2.881 -1.187 972 HD2 TYR 644 2HD TYR 644 -11.875 0.797 -4.907 973 HE1 TYR 644 1HE TYR 644 -10.416 1.254 -0.188 974 HE2 TYR 644 2HE TYR 644 -10.150 -0.759 -3.960 975 HH TYR 644 HH TYR 644 -8.975 -0.412 -0.630 976 HB2 TYR 644 1HB TYR 644 -12.785 2.922 -4.860 977 HB3 TYR 644 2HB TYR 644 -12.779 3.929 -3.454 978 H ASN 645 H ASN 645 -14.761 4.839 -2.302 979 HA ASN 645 HA ASN 645 -15.074 3.983 0.376 980 HB2 ASN 645 1HB ASN 645 -16.345 6.378 -0.978 981 HB3 ASN 645 2HB ASN 645 -16.157 6.158 0.758 982 HD21 ASN 645 1HD2 ASN 645 -15.164 8.260 -1.019 983 HD22 ASN 645 2HD2 ASN 645 -13.421 8.228 -0.927 984 H GLY 646 H GLY 646 -17.441 4.546 -2.166 985 HA2 GLY 646 1HA GLY 646 -19.891 3.990 -0.989 986 HA3 GLY 646 2HA GLY 646 -19.420 3.336 -2.572 987 H TYR 647 H TYR 647 -17.645 1.470 -2.245 988 HA TYR 647 HA TYR 647 -19.044 -0.720 -1.112 989 HD1 TYR 647 2HD TYR 647 -19.613 -1.126 -3.278 990 HD2 TYR 647 1HD TYR 647 -15.409 -0.544 -4.103 991 HE1 TYR 647 2HE TYR 647 -20.128 -0.829 -5.656 992 HE2 TYR 647 1HE TYR 647 -15.914 -0.281 -6.502 993 HH TYR 647 HH TYR 647 -17.589 -0.250 -8.129 994 HB2 TYR 647 1HB TYR 647 -16.132 -0.616 -1.881 995 HB3 TYR 647 2HB TYR 647 -17.142 -2.049 -1.802 996 H LEU 648 H LEU 648 -16.481 1.321 0.321 997 HA LEU 648 HA LEU 648 -15.583 -0.372 2.375 998 HG LEU 648 HG LEU 648 -13.604 2.761 2.002 999 HB2 LEU 648 1HB LEU 648 -15.798 2.571 1.905 1000 HB3 LEU 648 2HB LEU 648 -15.664 2.123 3.546 1001 HD11 LEU 648 1HD1 LEU 648 -13.700 0.854 4.329 1002 HD12 LEU 648 2HD1 LEU 648 -12.152 1.349 3.601 1003 HD13 LEU 648 3HD1 LEU 648 -13.267 2.556 4.286 1004 HD21 LEU 648 3HD2 LEU 648 -13.522 -0.256 1.702 1005 HD22 LEU 648 1HD2 LEU 648 -13.816 0.939 0.411 1006 HD23 LEU 648 2HD2 LEU 648 -12.270 0.911 1.256 1007 H THR 649 H THR 649 -18.702 1.194 2.063 1008 HA THR 649 HA THR 649 -19.402 0.300 4.802 1009 HB THR 649 HB THR 649 -19.200 2.698 4.602 1010 HG1 THR 649 1HG THR 649 -21.931 2.028 4.748 1011 HG21 THR 649 3HG2 THR 649 -20.826 4.031 3.296 1012 HG22 THR 649 1HG2 THR 649 -19.706 3.128 2.277 1013 HG23 THR 649 2HG2 THR 649 -21.379 2.546 2.484 1014 H SER 650 H SER 650 -19.666 -1.142 2.005 1015 HA SER 650 HA SER 650 -22.322 -2.187 2.667 1016 HG SER 650 HG SER 650 -20.969 -1.760 -0.572 1017 HB2 SER 650 1HB SER 650 -23.042 -2.127 0.294 1018 HB3 SER 650 2HB SER 650 -22.920 -0.523 1.035 1019 H SER 651 H SER 651 -21.267 -3.991 3.410 1020 HA SER 651 HA SER 651 -19.995 -5.780 1.419 1021 HG SER 651 HG SER 651 -20.077 -8.084 2.316 1022 HB2 SER 651 1HB SER 651 -19.818 -5.894 4.144 1023 HB3 SER 651 2HB SER 651 -21.310 -6.819 3.917 Start of MODEL 17 1 H1 GLY -4 H GLY -4 0.722 15.393 8.658 2 HA2 GLY -4 1HA GLY -4 -0.703 13.704 7.662 3 HA3 GLY -4 2HA GLY -4 -0.094 13.124 9.236 4 H SER -3 H SER -3 -2.891 14.116 7.394 5 HA SER -3 HA SER -3 -4.655 13.035 9.458 6 HG SER -3 HG SER -3 -6.328 15.770 10.435 7 HB2 SER -3 1HB SER -3 -4.351 15.620 9.713 8 HB3 SER -3 2HB SER -3 -5.319 15.738 8.238 9 H HIS -2 H HIS -2 -7.074 13.478 8.207 10 HA HIS -2 HA HIS -2 -8.388 12.271 6.837 11 HD1 HIS -2 1HD HIS -2 -8.126 11.811 2.865 12 HD2 HIS -2 2HD HIS -2 -10.474 14.357 5.286 13 HE1 HIS -2 1HE HIS -2 -10.438 11.975 1.767 14 HE2 HIS -2 2HE HIS -2 -11.814 13.600 3.169 15 HB2 HIS -2 1HB HIS -2 -7.869 14.471 5.679 16 HB3 HIS -2 2HB HIS -2 -6.804 13.587 4.618 17 H MET -1 H MET -1 -7.660 10.063 7.407 18 HA MET -1 HA MET -1 -6.095 8.789 5.210 19 HB2 MET -1 1HB MET -1 -6.368 7.975 8.120 20 HB3 MET -1 2HB MET -1 -5.852 6.890 6.823 21 HG2 MET -1 1HG MET -1 -3.816 7.584 7.595 22 HG3 MET -1 2HG MET -1 -4.098 8.669 6.253 23 HE1 MET -1 3HE MET -1 -4.554 8.247 10.114 24 HE2 MET -1 1HE MET -1 -2.825 8.362 9.719 25 HE3 MET -1 2HE MET -1 -3.594 9.630 10.680 26 H GLY 527 H GLY 527 -7.098 7.472 3.975 27 HA2 GLY 527 1HA GLY 527 -9.009 5.622 4.121 28 HA3 GLY 527 2HA GLY 527 -9.931 7.123 3.891 29 H THR 528 H THR 528 -10.135 5.648 1.645 30 HA THR 528 HA THR 528 -8.124 5.521 -0.212 31 HB THR 528 HB THR 528 -10.933 6.423 -0.978 32 HG1 THR 528 1HG THR 528 -11.769 4.960 0.143 33 HG21 THR 528 3HG2 THR 528 -9.307 5.774 -2.770 34 HG22 THR 528 1HG2 THR 528 -9.202 4.153 -2.039 35 HG23 THR 528 2HG2 THR 528 -10.734 4.724 -2.709 36 H VAL 529 H VAL 529 -7.160 6.846 -1.638 37 HA VAL 529 HA VAL 529 -8.141 9.626 -2.142 38 HB VAL 529 HB VAL 529 -5.899 10.550 -2.125 39 HG11 VAL 529 1HG1 VAL 529 -5.472 10.634 0.213 40 HG12 VAL 529 2HG1 VAL 529 -7.220 10.668 -0.066 41 HG13 VAL 529 3HG1 VAL 529 -6.438 9.169 0.512 42 HG21 VAL 529 3HG2 VAL 529 -3.974 9.334 -1.163 43 HG22 VAL 529 1HG2 VAL 529 -4.933 7.832 -1.140 44 HG23 VAL 529 2HG2 VAL 529 -4.509 8.625 -2.681 45 H SER 530 H SER 530 -6.682 10.594 -4.080 46 HA SER 530 HA SER 530 -6.018 8.528 -6.092 47 HG SER 530 HG SER 530 -7.545 11.878 -6.531 48 HB2 SER 530 1HB SER 530 -7.112 10.094 -7.795 49 HB3 SER 530 2HB SER 530 -8.178 9.128 -6.778 50 H TRP 531 H TRP 531 -3.849 8.928 -5.408 51 HA TRP 531 HA TRP 531 -2.656 11.566 -6.133 52 HD1 TRP 531 HD TRP 531 -4.130 12.322 -4.291 53 HE1 TRP 531 1HE TRP 531 -4.767 13.032 -1.932 54 HE3 TRP 531 3HE TRP 531 -0.350 10.027 -1.737 55 HZ2 TRP 531 2HZ TRP 531 -3.734 12.707 0.745 56 HZ3 TRP 531 3HZ TRP 531 -0.162 10.293 0.727 57 HH2 TRP 531 HH TRP 531 -1.865 11.625 1.971 58 HB2 TRP 531 1HB TRP 531 -1.634 9.510 -4.180 59 HB3 TRP 531 2HB TRP 531 -0.869 11.023 -4.611 60 H ASN 532 H ASN 532 -0.035 10.598 -6.324 61 HA ASN 532 HA ASN 532 -0.096 8.354 -8.212 62 HB2 ASN 532 1HB ASN 532 1.179 9.348 -9.873 63 HB3 ASN 532 2HB ASN 532 0.043 10.631 -9.488 64 HD21 ASN 532 1HD2 ASN 532 0.838 12.429 -8.066 65 HD22 ASN 532 2HD2 ASN 532 2.521 12.840 -8.200 66 H LEU 533 H LEU 533 2.355 7.763 -8.568 67 HA LEU 533 HA LEU 533 3.291 6.786 -6.137 68 HG LEU 533 HG LEU 533 5.246 4.684 -8.368 69 HB2 LEU 533 1HB LEU 533 4.150 6.738 -8.920 70 HB3 LEU 533 2HB LEU 533 5.550 7.070 -7.931 71 HD11 LEU 533 1HD1 LEU 533 5.528 3.832 -6.081 72 HD12 LEU 533 2HD1 LEU 533 6.402 5.348 -6.303 73 HD13 LEU 533 3HD1 LEU 533 4.878 5.358 -5.413 74 HD21 LEU 533 3HD2 LEU 533 3.402 3.396 -7.553 75 HD22 LEU 533 1HD2 LEU 533 2.738 4.779 -6.662 76 HD23 LEU 533 2HD2 LEU 533 2.719 4.790 -8.428 77 H ARG 534 H ARG 534 4.385 9.702 -7.843 78 HA ARG 534 HA ARG 534 6.597 10.209 -6.051 79 HE ARG 534 HE ARG 534 6.119 10.597 -10.885 80 HB2 ARG 534 1HB ARG 534 5.034 12.028 -7.946 81 HB3 ARG 534 2HB ARG 534 6.383 12.608 -6.973 82 HG2 ARG 534 1HG ARG 534 7.971 11.244 -8.032 83 HG3 ARG 534 2HG ARG 534 6.750 10.213 -8.786 84 HD2 ARG 534 1HD ARG 534 6.754 13.153 -9.479 85 HD3 ARG 534 2HD ARG 534 8.028 12.122 -10.146 86 HH11 ARG 534 2HH2 ARG 534 5.656 14.163 -10.918 87 HH12 ARG 534 1HH2 ARG 534 4.865 14.127 -12.450 88 HH21 ARG 534 2HH1 ARG 534 4.847 10.570 -12.612 89 HH22 ARG 534 1HH1 ARG 534 4.061 11.978 -13.261 90 H GLU 535 H GLU 535 3.201 11.424 -6.036 91 HA GLU 535 HA GLU 535 3.495 13.126 -3.780 92 HB2 GLU 535 1HB GLU 535 1.245 11.856 -5.313 93 HB3 GLU 535 2HB GLU 535 0.905 12.482 -3.716 94 HG2 GLU 535 1HG GLU 535 2.467 14.436 -5.248 95 HG3 GLU 535 2HG GLU 535 1.056 13.923 -6.158 96 H MET 536 H MET 536 2.130 9.807 -4.057 97 HA MET 536 HA MET 536 1.804 9.272 -1.330 98 HB2 MET 536 1HB MET 536 2.779 7.368 -3.493 99 HB3 MET 536 2HB MET 536 2.171 6.874 -1.908 100 HG2 MET 536 1HG MET 536 -0.028 7.826 -2.401 101 HG3 MET 536 2HG MET 536 0.550 8.444 -3.940 102 HE1 MET 536 3HE MET 536 0.675 4.983 -1.920 103 HE2 MET 536 1HE MET 536 -0.932 5.740 -1.953 104 HE3 MET 536 2HE MET 536 -0.655 4.221 -2.835 105 H LEU 537 H LEU 537 4.835 8.858 -3.197 106 HA LEU 537 HA LEU 537 6.324 7.654 -1.090 107 HG LEU 537 HG LEU 537 9.147 8.247 -1.840 108 HB2 LEU 537 1HB LEU 537 6.753 7.867 -3.684 109 HB3 LEU 537 2HB LEU 537 7.503 9.384 -3.313 110 HD11 LEU 537 1HD1 LEU 537 9.349 5.742 -2.028 111 HD12 LEU 537 2HD1 LEU 537 7.924 6.228 -1.147 112 HD13 LEU 537 3HD1 LEU 537 7.762 5.697 -2.840 113 HD21 LEU 537 3HD2 LEU 537 10.329 7.192 -3.767 114 HD22 LEU 537 1HD2 LEU 537 8.811 7.200 -4.694 115 HD23 LEU 537 2HD2 LEU 537 9.591 8.727 -4.209 116 H ALA 538 H ALA 538 6.232 10.932 -2.353 117 HA ALA 538 HA ALA 538 7.929 12.244 -0.496 118 HB1 ALA 538 1HB ALA 538 6.665 14.311 -1.107 119 HB2 ALA 538 2HB ALA 538 7.103 13.346 -2.533 120 HB3 ALA 538 3HB ALA 538 5.443 13.318 -1.905 121 H HIS 539 H HIS 539 4.494 11.399 -0.258 122 HA HIS 539 HA HIS 539 4.020 12.665 2.262 123 HD1 HIS 539 1HD HIS 539 1.704 13.921 2.049 124 HD2 HIS 539 2HD HIS 539 0.944 9.968 3.445 125 HE1 HIS 539 1HE HIS 539 -0.081 14.101 3.921 126 HE2 HIS 539 2HE HIS 539 -0.563 11.741 4.755 127 HB2 HIS 539 1HB HIS 539 2.383 11.619 0.453 128 HB3 HIS 539 2HB HIS 539 2.532 10.167 1.392 129 H ALA 540 H ALA 540 4.655 9.252 1.480 130 HA ALA 540 HA ALA 540 4.946 8.283 4.130 131 HB1 ALA 540 1HB ALA 540 4.918 6.825 2.079 132 HB2 ALA 540 2HB ALA 540 6.580 7.355 1.724 133 HB3 ALA 540 3HB ALA 540 6.238 6.442 3.198 134 H GLU 541 H GLU 541 7.453 9.887 2.127 135 HA GLU 541 HA GLU 541 9.570 9.850 3.969 136 HB2 GLU 541 1HB GLU 541 8.749 11.407 1.564 137 HB3 GLU 541 2HB GLU 541 9.623 12.393 2.725 138 HG2 GLU 541 1HG GLU 541 11.379 10.515 2.743 139 HG3 GLU 541 2HG GLU 541 10.565 9.935 1.269 140 H GLU 542 H GLU 542 7.159 12.486 3.417 141 HA GLU 542 HA GLU 542 7.894 14.266 5.389 142 HB2 GLU 542 1HB GLU 542 6.278 14.632 3.531 143 HB3 GLU 542 2HB GLU 542 5.147 13.510 4.270 144 HG2 GLU 542 1HG GLU 542 4.205 15.425 4.990 145 HG3 GLU 542 2HG GLU 542 5.282 15.150 6.331 146 H THR 543 H THR 543 5.688 11.517 5.585 147 HA THR 543 HA THR 543 4.991 12.243 8.350 148 HB THR 543 HB THR 543 3.128 10.703 8.039 149 HG1 THR 543 1HG THR 543 4.093 10.551 5.349 150 HG21 THR 543 3HG2 THR 543 1.856 12.058 6.436 151 HG22 THR 543 1HG2 THR 543 2.891 13.109 7.449 152 HG23 THR 543 2HG2 THR 543 3.349 12.745 5.782 153 H ARG 544 H ARG 544 7.147 9.998 6.948 154 HA ARG 544 HA ARG 544 8.407 8.342 7.751 155 HE ARG 544 HE ARG 544 10.433 12.308 10.547 156 HB2 ARG 544 1HB ARG 544 7.569 9.377 10.468 157 HB3 ARG 544 2HB ARG 544 8.674 8.049 10.235 158 HG2 ARG 544 1HG ARG 544 9.991 9.952 10.627 159 HG3 ARG 544 2HG ARG 544 10.210 9.509 8.928 160 HD2 ARG 544 1HD ARG 544 8.886 11.321 8.167 161 HD3 ARG 544 2HD ARG 544 8.153 11.554 9.743 162 HH11 ARG 544 2HH2 ARG 544 9.814 12.554 7.018 163 HH12 ARG 544 1HH2 ARG 544 10.953 13.853 6.848 164 HH21 ARG 544 2HH1 ARG 544 11.910 13.927 10.231 165 HH22 ARG 544 1HH1 ARG 544 11.998 14.785 8.724 166 H LYS 545 H LYS 545 5.833 7.731 6.797 167 HA LYS 545 HA LYS 545 4.769 5.664 8.655 168 HB2 LYS 545 1HB LYS 545 3.642 7.369 6.427 169 HB3 LYS 545 2HB LYS 545 2.804 5.880 6.903 170 HG2 LYS 545 1HG LYS 545 2.723 6.561 9.208 171 HG3 LYS 545 2HG LYS 545 3.842 7.866 8.926 172 HD2 LYS 545 1HD LYS 545 2.082 9.047 7.661 173 HD3 LYS 545 2HD LYS 545 0.972 7.794 7.948 174 HE2 LYS 545 1HE LYS 545 1.225 10.030 9.527 175 HE3 LYS 545 2HE LYS 545 0.625 8.513 10.164 176 HZ1 LYS 545 3HZ LYS 545 3.462 9.382 10.377 177 HZ2 LYS 545 1HZ LYS 545 2.360 9.446 11.594 178 HZ3 LYS 545 2HZ LYS 545 2.830 7.998 10.979 179 H LEU 546 H LEU 546 3.956 3.725 7.901 180 HA LEU 546 HA LEU 546 5.965 2.335 6.395 181 HG LEU 546 HG LEU 546 4.465 -0.312 6.031 182 HB2 LEU 546 1HB LEU 546 4.824 1.487 8.479 183 HB3 LEU 546 2HB LEU 546 3.326 1.360 7.575 184 HD11 LEU 546 1HD1 LEU 546 6.783 0.214 6.223 185 HD12 LEU 546 2HD1 LEU 546 6.755 0.143 7.992 186 HD13 LEU 546 3HD1 LEU 546 6.631 -1.331 7.031 187 HD21 LEU 546 3HD2 LEU 546 4.525 -2.163 7.724 188 HD22 LEU 546 1HD2 LEU 546 4.380 -0.939 9.016 189 HD23 LEU 546 2HD2 LEU 546 3.093 -1.150 7.834 190 H MET 547 H MET 547 5.809 1.517 4.378 191 HA MET 547 HA MET 547 3.378 2.081 2.747 192 HB2 MET 547 1HB MET 547 5.354 3.646 2.530 193 HB3 MET 547 2HB MET 547 6.309 2.299 1.922 194 HG2 MET 547 1HG MET 547 4.668 2.020 0.064 195 HG3 MET 547 2HG MET 547 3.710 3.331 0.745 196 HE1 MET 547 3HE MET 547 4.731 5.993 -1.547 197 HE2 MET 547 1HE MET 547 3.515 4.743 -1.186 198 HE3 MET 547 2HE MET 547 4.036 5.865 0.083 199 HA PRO 548 HA PRO 548 4.343 -2.349 2.247 200 HB2 PRO 548 1HB PRO 548 1.744 -3.232 1.671 201 HB3 PRO 548 2HB PRO 548 2.512 -3.179 3.273 202 HG2 PRO 548 1HG PRO 548 0.567 -1.246 2.074 203 HG3 PRO 548 2HG PRO 548 0.744 -1.741 3.760 204 HD2 PRO 548 1HD PRO 548 1.695 0.654 2.730 205 HD3 PRO 548 2HD PRO 548 2.429 -0.163 4.132 206 H ILE 549 H ILE 549 4.916 -3.421 0.335 207 HA ILE 549 HA ILE 549 3.751 -2.479 -2.261 208 HB ILE 549 HB ILE 549 6.735 -2.681 -1.655 209 HG12 ILE 549 1HG1 ILE 549 6.311 -0.152 -2.644 210 HG13 ILE 549 2HG1 ILE 549 4.817 -0.393 -1.749 211 HG21 ILE 549 1HG2 ILE 549 7.088 -1.919 -3.951 212 HG22 ILE 549 2HG2 ILE 549 6.337 -3.495 -3.907 213 HG23 ILE 549 3HG2 ILE 549 5.337 -2.066 -4.279 214 HD11 ILE 549 3HD1 ILE 549 6.286 0.474 -0.220 215 HD12 ILE 549 1HD1 ILE 549 6.445 -1.268 0.138 216 HD13 ILE 549 2HD1 ILE 549 7.672 -0.471 -0.846 217 H CYS 550 H CYS 550 3.428 -4.150 -3.695 218 HA CYS 550 HA CYS 550 4.077 -6.857 -2.759 219 HG CYS 550 HG CYS 550 2.525 -8.468 -3.074 220 HB2 CYS 550 1HB CYS 550 1.882 -6.127 -4.000 221 HB3 CYS 550 2HB CYS 550 2.885 -6.209 -5.470 222 H MET 551 H MET 551 5.900 -7.963 -3.435 223 HA MET 551 HA MET 551 7.855 -6.770 -5.184 224 HB2 MET 551 1HB MET 551 7.429 -9.651 -4.285 225 HB3 MET 551 2HB MET 551 8.798 -9.109 -5.244 226 HG2 MET 551 1HG MET 551 8.907 -7.348 -3.172 227 HG3 MET 551 2HG MET 551 8.237 -8.778 -2.362 228 HE1 MET 551 3HE MET 551 10.951 -7.755 -1.373 229 HE2 MET 551 1HE MET 551 10.183 -9.260 -0.848 230 HE3 MET 551 2HE MET 551 11.894 -9.270 -1.319 231 H ASP 552 H ASP 552 5.042 -8.606 -5.724 232 HA ASP 552 HA ASP 552 5.721 -10.037 -8.064 233 HB2 ASP 552 1HB ASP 552 3.832 -10.414 -6.377 234 HB3 ASP 552 2HB ASP 552 2.922 -9.163 -7.246 235 H VAL 553 H VAL 553 5.426 -6.702 -7.844 236 HA VAL 553 HA VAL 553 4.707 -6.451 -10.710 237 HB VAL 553 HB VAL 553 4.115 -4.419 -8.545 238 HG11 VAL 553 1HG1 VAL 553 2.845 -3.289 -10.375 239 HG12 VAL 553 2HG1 VAL 553 4.562 -3.392 -10.762 240 HG13 VAL 553 3HG1 VAL 553 3.410 -4.510 -11.524 241 HG21 VAL 553 3HG2 VAL 553 2.587 -6.314 -8.319 242 HG22 VAL 553 1HG2 VAL 553 1.725 -4.977 -9.092 243 HG23 VAL 553 2HG2 VAL 553 2.316 -6.339 -10.076 244 H ARG 554 H ARG 554 6.743 -6.731 -11.394 245 HA ARG 554 HA ARG 554 9.051 -5.557 -10.273 246 HE ARG 554 HE ARG 554 10.074 -10.524 -13.006 247 HB2 ARG 554 1HB ARG 554 8.593 -6.344 -13.171 248 HB3 ARG 554 2HB ARG 554 10.152 -5.852 -12.484 249 HG2 ARG 554 1HG ARG 554 9.840 -7.735 -10.766 250 HG3 ARG 554 2HG ARG 554 8.515 -8.303 -11.775 251 HD2 ARG 554 1HD ARG 554 10.126 -8.385 -13.731 252 HD3 ARG 554 2HD ARG 554 11.435 -8.004 -12.606 253 HH11 ARG 554 2HH2 ARG 554 11.913 -8.694 -10.557 254 HH12 ARG 554 1HH2 ARG 554 12.124 -10.078 -9.521 255 HH21 ARG 554 2HH1 ARG 554 10.357 -12.314 -11.602 256 HH22 ARG 554 1HH1 ARG 554 11.266 -12.164 -10.134 257 H ALA 555 H ALA 555 6.751 -4.168 -12.570 258 HA ALA 555 HA ALA 555 8.143 -1.866 -13.323 259 HB1 ALA 555 1HB ALA 555 6.062 -2.599 -14.381 260 HB2 ALA 555 2HB ALA 555 5.148 -2.285 -12.887 261 HB3 ALA 555 3HB ALA 555 5.864 -0.949 -13.791 262 H ILE 556 H ILE 556 6.679 -2.518 -10.201 263 HA ILE 556 HA ILE 556 6.877 0.332 -9.334 264 HB ILE 556 HB ILE 556 5.671 -2.181 -8.102 265 HG12 ILE 556 1HG1 ILE 556 4.362 0.407 -9.084 266 HG13 ILE 556 2HG1 ILE 556 4.403 -1.091 -10.003 267 HG21 ILE 556 1HG2 ILE 556 4.880 -0.810 -6.281 268 HG22 ILE 556 2HG2 ILE 556 6.631 -0.715 -6.325 269 HG23 ILE 556 3HG2 ILE 556 5.670 0.644 -6.960 270 HD11 ILE 556 3HD1 ILE 556 3.158 -2.225 -8.119 271 HD12 ILE 556 1HD1 ILE 556 2.944 -0.625 -7.390 272 HD13 ILE 556 2HD1 ILE 556 2.259 -0.960 -8.989 273 H MET 557 H MET 557 8.094 -2.967 -8.628 274 HA MET 557 HA MET 557 9.886 -2.385 -6.567 275 HB2 MET 557 1HB MET 557 10.043 -4.342 -8.890 276 HB3 MET 557 2HB MET 557 11.253 -4.312 -7.643 277 HG2 MET 557 1HG MET 557 8.504 -4.443 -6.545 278 HG3 MET 557 2HG MET 557 8.916 -5.786 -7.602 279 HE1 MET 557 3HE MET 557 10.941 -4.701 -3.594 280 HE2 MET 557 1HE MET 557 10.925 -3.558 -4.971 281 HE3 MET 557 2HE MET 557 9.402 -4.087 -4.220 282 H ALA 558 H ALA 558 10.491 -2.220 -10.113 283 HA ALA 558 HA ALA 558 13.154 -1.429 -10.073 284 HB1 ALA 558 1HB ALA 558 12.604 -0.427 -12.321 285 HB2 ALA 558 2HB ALA 558 11.984 -2.076 -12.111 286 HB3 ALA 558 3HB ALA 558 10.883 -0.690 -11.987 287 H THR 559 H THR 559 10.263 0.677 -10.067 288 HA THR 559 HA THR 559 11.538 3.205 -10.057 289 HB THR 559 HB THR 559 8.861 2.009 -9.462 290 HG1 THR 559 1HG THR 559 9.656 2.894 -11.524 291 HG21 THR 559 3HG2 THR 559 7.837 4.111 -8.773 292 HG22 THR 559 1HG2 THR 559 8.939 3.514 -7.539 293 HG23 THR 559 2HG2 THR 559 9.452 4.852 -8.589 294 H ILE 560 H ILE 560 10.501 1.164 -7.264 295 HA ILE 560 HA ILE 560 11.491 3.100 -5.373 296 HB ILE 560 HB ILE 560 10.681 0.178 -5.126 297 HG12 ILE 560 1HG1 ILE 560 9.412 2.866 -4.309 298 HG13 ILE 560 2HG1 ILE 560 8.922 1.899 -5.699 299 HG21 ILE 560 1HG2 ILE 560 12.343 0.783 -3.315 300 HG22 ILE 560 2HG2 ILE 560 11.311 2.165 -2.860 301 HG23 ILE 560 3HG2 ILE 560 10.754 0.504 -2.650 302 HD11 ILE 560 3HD1 ILE 560 8.624 0.977 -2.821 303 HD12 ILE 560 1HD1 ILE 560 7.364 1.699 -3.833 304 HD13 ILE 560 2HD1 ILE 560 8.072 0.143 -4.295 305 H GLN 561 H GLN 561 12.844 -0.024 -6.594 306 HA GLN 561 HA GLN 561 15.151 0.034 -4.993 307 HB2 GLN 561 1HB GLN 561 14.397 -1.368 -7.576 308 HB3 GLN 561 2HB GLN 561 16.023 -1.514 -6.909 309 HG2 GLN 561 1HG GLN 561 15.134 -2.290 -4.781 310 HG3 GLN 561 2HG GLN 561 13.478 -2.119 -5.371 311 HE21 GLN 561 1HE2 GLN 561 12.658 -4.076 -5.810 312 HE22 GLN 561 2HE2 GLN 561 13.490 -5.464 -6.494 313 H ARG 562 H ARG 562 14.560 1.656 -8.063 314 HA ARG 562 HA ARG 562 17.240 2.561 -8.596 315 HE ARG 562 HE ARG 562 15.558 2.610 -13.204 316 HB2 ARG 562 1HB ARG 562 14.512 3.825 -9.030 317 HB3 ARG 562 2HB ARG 562 15.995 4.650 -9.485 318 HG2 ARG 562 1HG ARG 562 16.573 2.972 -11.091 319 HG3 ARG 562 2HG ARG 562 15.307 1.876 -10.541 320 HD2 ARG 562 1HD ARG 562 13.562 3.351 -11.286 321 HD3 ARG 562 2HD ARG 562 14.713 4.678 -11.533 322 HH11 ARG 562 2HH2 ARG 562 12.808 4.851 -12.896 323 HH12 ARG 562 1HH2 ARG 562 12.566 4.981 -14.602 324 HH21 ARG 562 2HH1 ARG 562 15.178 2.733 -15.404 325 HH22 ARG 562 1HH1 ARG 562 13.845 3.628 -16.090 326 H LYS 563 H LYS 563 14.644 4.209 -6.728 327 HA LYS 563 HA LYS 563 16.465 6.279 -5.835 328 HB2 LYS 563 1HB LYS 563 13.955 6.446 -6.283 329 HB3 LYS 563 2HB LYS 563 13.703 5.590 -4.767 330 HG2 LYS 563 1HG LYS 563 14.869 7.418 -3.539 331 HG3 LYS 563 2HG LYS 563 15.204 8.234 -5.085 332 HD2 LYS 563 1HD LYS 563 12.741 8.392 -5.500 333 HD3 LYS 563 2HD LYS 563 12.478 7.515 -3.992 334 HE2 LYS 563 1HE LYS 563 12.041 9.828 -3.560 335 HE3 LYS 563 2HE LYS 563 13.528 9.393 -2.715 336 HZ1 LYS 563 3HZ LYS 563 14.791 10.529 -4.349 337 HZ2 LYS 563 1HZ LYS 563 13.533 10.692 -5.395 338 HZ3 LYS 563 2HZ LYS 563 13.529 11.515 -3.998 339 H TYR 564 H TYR 564 15.360 3.298 -4.460 340 HA TYR 564 HA TYR 564 16.953 3.745 -1.993 341 HD1 TYR 564 2HD TYR 564 15.218 4.601 0.358 342 HD2 TYR 564 1HD TYR 564 12.907 3.801 -3.212 343 HE1 TYR 564 2HE TYR 564 13.817 6.563 0.801 344 HE2 TYR 564 1HE TYR 564 11.495 5.769 -2.727 345 HH TYR 564 HH TYR 564 12.129 7.957 0.036 346 HB2 TYR 564 1HB TYR 564 14.400 2.128 -2.323 347 HB3 TYR 564 2HB TYR 564 15.298 2.382 -0.834 348 H LYS 565 H LYS 565 18.747 2.899 -3.399 349 HA LYS 565 HA LYS 565 18.399 0.144 -4.269 350 HB2 LYS 565 1HB LYS 565 19.451 1.952 -5.696 351 HB3 LYS 565 2HB LYS 565 20.739 2.126 -4.491 352 HG2 LYS 565 1HG LYS 565 21.317 -0.218 -4.781 353 HG3 LYS 565 2HG LYS 565 20.047 -0.434 -5.980 354 HD2 LYS 565 1HD LYS 565 21.910 -0.199 -7.320 355 HD3 LYS 565 2HD LYS 565 21.286 1.465 -7.271 356 HE2 LYS 565 1HE LYS 565 22.918 2.023 -5.505 357 HE3 LYS 565 2HE LYS 565 23.489 0.347 -5.460 358 HZ1 LYS 565 3HZ LYS 565 24.388 0.572 -7.618 359 HZ2 LYS 565 1HZ LYS 565 23.627 1.993 -7.904 360 HZ3 LYS 565 2HZ LYS 565 24.849 1.916 -6.803 361 H GLY 566 H GLY 566 20.348 1.891 -1.788 362 HA2 GLY 566 1HA GLY 566 22.075 -0.327 -1.314 363 HA3 GLY 566 2HA GLY 566 21.836 1.051 -0.231 364 H ILE 567 H ILE 567 18.824 0.080 -0.396 365 HA ILE 567 HA ILE 567 18.808 -1.593 1.955 366 HB ILE 567 HB ILE 567 17.170 -0.047 1.800 367 HG12 ILE 567 1HG1 ILE 567 16.365 -2.363 2.453 368 HG13 ILE 567 2HG1 ILE 567 15.276 -1.013 2.234 369 HG21 ILE 567 1HG2 ILE 567 17.039 0.688 -0.477 370 HG22 ILE 567 2HG2 ILE 567 16.427 -0.871 -1.020 371 HG23 ILE 567 3HG2 ILE 567 15.404 0.143 0.003 372 HD11 ILE 567 3HD1 ILE 567 15.718 -2.837 -0.118 373 HD12 ILE 567 1HD1 ILE 567 14.581 -3.276 1.192 374 HD13 ILE 567 2HD1 ILE 567 14.375 -1.766 0.257 375 H LYS 568 H LYS 568 17.424 -3.632 1.825 376 HA LYS 568 HA LYS 568 18.510 -5.385 -0.304 377 HB2 LYS 568 1HB LYS 568 18.067 -6.269 2.586 378 HB3 LYS 568 2HB LYS 568 19.182 -6.908 1.374 379 HG2 LYS 568 1HG LYS 568 20.690 -5.933 2.816 380 HG3 LYS 568 2HG LYS 568 20.458 -4.602 1.694 381 HD2 LYS 568 1HD LYS 568 18.670 -3.731 3.408 382 HD3 LYS 568 2HD LYS 568 19.276 -4.970 4.476 383 HE2 LYS 568 1HE LYS 568 21.567 -3.908 4.273 384 HE3 LYS 568 2HE LYS 568 20.825 -2.613 3.314 385 HZ1 LYS 568 3HZ LYS 568 20.996 -1.944 5.607 386 HZ2 LYS 568 1HZ LYS 568 19.421 -2.140 5.248 387 HZ3 LYS 568 2HZ LYS 568 20.197 -3.285 6.133 388 H ILE 569 H ILE 569 16.861 -6.370 -1.361 389 HA ILE 569 HA ILE 569 14.192 -5.699 -0.334 390 HB ILE 569 HB ILE 569 15.200 -6.650 -3.015 391 HG12 ILE 569 1HG1 ILE 569 15.734 -4.233 -2.077 392 HG13 ILE 569 2HG1 ILE 569 15.162 -4.431 -3.686 393 HG21 ILE 569 1HG2 ILE 569 12.996 -7.513 -2.790 394 HG22 ILE 569 2HG2 ILE 569 12.386 -6.009 -2.072 395 HG23 ILE 569 3HG2 ILE 569 12.868 -6.060 -3.802 396 HD11 ILE 569 3HD1 ILE 569 12.880 -3.697 -2.956 397 HD12 ILE 569 1HD1 ILE 569 13.437 -3.775 -1.272 398 HD13 ILE 569 2HD1 ILE 569 14.103 -2.548 -2.360 399 H GLN 570 H GLN 570 13.976 -6.934 1.218 400 HA GLN 570 HA GLN 570 13.869 -9.908 1.011 401 HB2 GLN 570 1HB GLN 570 13.384 -9.561 3.545 402 HB3 GLN 570 2HB GLN 570 15.088 -9.389 3.004 403 HG2 GLN 570 1HG GLN 570 14.738 -7.655 4.553 404 HG3 GLN 570 2HG GLN 570 14.383 -6.863 3.035 405 HE21 GLN 570 1HE2 GLN 570 12.494 -6.106 2.720 406 HE22 GLN 570 2HE2 GLN 570 11.059 -6.215 3.697 407 H GLU 571 H GLU 571 12.049 -10.765 2.168 408 HA GLU 571 HA GLU 571 9.498 -9.548 1.371 409 HB2 GLU 571 1HB GLU 571 10.699 -12.256 1.876 410 HB3 GLU 571 2HB GLU 571 9.037 -12.051 2.362 411 HG2 GLU 571 1HG GLU 571 8.318 -11.570 0.135 412 HG3 GLU 571 2HG GLU 571 9.965 -11.391 -0.434 413 H GLY 572 H GLY 572 8.914 -8.129 3.128 414 HA2 GLY 572 1HA GLY 572 8.093 -8.555 5.553 415 HA3 GLY 572 2HA GLY 572 9.806 -8.892 5.864 416 H ILE 573 H ILE 573 9.793 -7.099 7.353 417 HA ILE 573 HA ILE 573 9.151 -4.390 6.437 418 HB ILE 573 HB ILE 573 10.181 -5.626 9.016 419 HG12 ILE 573 1HG1 ILE 573 7.760 -5.898 8.540 420 HG13 ILE 573 2HG1 ILE 573 8.112 -5.054 10.025 421 HG21 ILE 573 1HG2 ILE 573 11.269 -3.495 9.027 422 HG22 ILE 573 2HG2 ILE 573 9.790 -2.648 8.540 423 HG23 ILE 573 3HG2 ILE 573 9.933 -3.434 10.156 424 HD11 ILE 573 3HD1 ILE 573 6.195 -4.096 8.727 425 HD12 ILE 573 1HD1 ILE 573 7.461 -2.920 9.122 426 HD13 ILE 573 2HD1 ILE 573 7.343 -3.585 7.480 427 H VAL 574 H VAL 574 10.352 -2.758 6.039 428 HA VAL 574 HA VAL 574 13.223 -3.000 6.037 429 HB VAL 574 HB VAL 574 13.345 -3.295 3.969 430 HG11 VAL 574 1HG1 VAL 574 10.771 -2.927 2.805 431 HG12 VAL 574 2HG1 VAL 574 12.111 -4.143 2.705 432 HG13 VAL 574 3HG1 VAL 574 11.006 -4.267 3.957 433 HG21 VAL 574 3HG2 VAL 574 13.935 -1.082 3.850 434 HG22 VAL 574 1HG2 VAL 574 13.008 -1.455 2.366 435 HG23 VAL 574 2HG2 VAL 574 12.285 -0.551 3.710 436 H ASP 575 H ASP 575 14.158 -1.021 6.591 437 HA ASP 575 HA ASP 575 12.479 1.420 6.999 438 HB2 ASP 575 1HB ASP 575 12.505 0.278 9.101 439 HB3 ASP 575 2HB ASP 575 14.240 -0.057 8.970 440 H TYR 576 H TYR 576 13.442 2.418 5.201 441 HA TYR 576 HA TYR 576 16.235 3.255 5.496 442 HD1 TYR 576 1HD TYR 576 18.692 2.449 4.698 443 HD2 TYR 576 2HD TYR 576 16.139 2.153 1.250 444 HE1 TYR 576 1HE TYR 576 20.574 3.171 3.277 445 HE2 TYR 576 2HE TYR 576 18.027 2.922 -0.201 446 HH TYR 576 HH TYR 576 21.325 3.492 1.058 447 HB2 TYR 576 1HB TYR 576 16.525 1.009 4.573 448 HB3 TYR 576 2HB TYR 576 15.386 1.339 3.294 449 H GLY 577 H GLY 577 15.503 5.378 5.343 450 HA2 GLY 577 1HA GLY 577 15.153 7.333 4.101 451 HA3 GLY 577 2HA GLY 577 14.910 6.367 2.656 452 H VAL 578 H VAL 578 12.857 4.721 3.379 453 HA VAL 578 HA VAL 578 10.646 6.124 4.678 454 HB VAL 578 HB VAL 578 10.785 5.249 1.786 455 HG11 VAL 578 1HG1 VAL 578 8.187 5.095 3.360 456 HG12 VAL 578 2HG1 VAL 578 8.364 5.028 1.587 457 HG13 VAL 578 3HG1 VAL 578 9.034 3.746 2.584 458 HG21 VAL 578 3HG2 VAL 578 10.794 7.631 2.358 459 HG22 VAL 578 1HG2 VAL 578 9.339 7.212 1.461 460 HG23 VAL 578 2HG2 VAL 578 9.264 7.449 3.226 461 H ARG 579 H ARG 579 9.194 4.505 5.481 462 HA ARG 579 HA ARG 579 10.472 1.937 6.205 463 HE ARG 579 HE ARG 579 11.654 2.664 10.418 464 HB2 ARG 579 1HB ARG 579 8.023 3.491 7.055 465 HB3 ARG 579 2HB ARG 579 8.220 1.791 7.524 466 HG2 ARG 579 1HG ARG 579 10.611 3.454 8.055 467 HG3 ARG 579 2HG ARG 579 9.164 3.987 8.915 468 HD2 ARG 579 1HD ARG 579 8.908 1.691 9.839 469 HD3 ARG 579 2HD ARG 579 10.400 1.226 9.027 470 HH11 ARG 579 2HH2 ARG 579 8.155 3.143 11.121 471 HH12 ARG 579 1HH2 ARG 579 8.487 3.954 12.595 472 HH21 ARG 579 2HH1 ARG 579 11.988 3.659 12.487 473 HH22 ARG 579 1HH1 ARG 579 10.615 4.187 13.411 474 H PHE 580 H PHE 580 10.209 0.257 4.814 475 HA PHE 580 HA PHE 580 7.797 0.278 3.045 476 HD1 PHE 580 2HD PHE 580 8.078 1.081 0.560 477 HD2 PHE 580 1HD PHE 580 11.973 1.149 2.382 478 HE1 PHE 580 2HE PHE 580 8.665 3.072 -0.777 479 HE2 PHE 580 1HE PHE 580 12.521 3.186 1.124 480 HZ PHE 580 HZ PHE 580 10.882 4.133 -0.488 481 HB2 PHE 580 1HB PHE 580 10.566 -0.799 2.628 482 HB3 PHE 580 2HB PHE 580 9.304 -1.147 1.551 483 H PHE 581 H PHE 581 6.761 -1.785 2.688 484 HA PHE 581 HA PHE 581 7.634 -4.034 4.399 485 HD1 PHE 581 2HD PHE 581 7.177 -5.486 5.908 486 HD2 PHE 581 1HD PHE 581 3.071 -4.315 5.430 487 HE1 PHE 581 2HE PHE 581 6.460 -7.479 7.208 488 HE2 PHE 581 1HE PHE 581 2.356 -6.313 6.717 489 HZ PHE 581 HZ PHE 581 4.064 -7.871 7.644 490 HB2 PHE 581 1HB PHE 581 5.849 -2.750 5.597 491 HB3 PHE 581 2HB PHE 581 4.749 -3.085 4.290 492 H PHE 582 H PHE 582 8.386 -5.205 2.704 493 HA PHE 582 HA PHE 582 6.886 -5.309 0.216 494 HD1 PHE 582 1HD PHE 582 8.069 -4.234 -1.275 495 HD2 PHE 582 2HD PHE 582 11.287 -5.438 1.306 496 HE1 PHE 582 1HE PHE 582 9.147 -2.011 -1.513 497 HE2 PHE 582 2HE PHE 582 12.486 -3.397 0.749 498 HZ PHE 582 HZ PHE 582 11.502 -1.660 -0.493 499 HB2 PHE 582 1HB PHE 582 9.314 -6.842 1.118 500 HB3 PHE 582 2HB PHE 582 8.660 -6.873 -0.524 501 H TYR 583 H TYR 583 5.616 -6.972 -0.532 502 HA TYR 583 HA TYR 583 5.376 -9.424 1.096 503 HD1 TYR 583 2HD TYR 583 3.378 -5.658 0.786 504 HD2 TYR 583 1HD TYR 583 1.567 -9.261 -0.764 505 HE1 TYR 583 2HE TYR 583 1.796 -4.301 -0.515 506 HE2 TYR 583 1HE TYR 583 0.056 -7.913 -2.176 507 HH TYR 583 HH TYR 583 -0.638 -5.745 -2.738 508 HB2 TYR 583 1HB TYR 583 2.989 -9.308 1.236 509 HB3 TYR 583 2HB TYR 583 3.635 -7.832 1.899 510 H THR 584 H THR 584 3.757 -10.882 0.058 511 HA THR 584 HA THR 584 4.475 -11.355 -2.731 512 HB THR 584 HB THR 584 3.990 -13.769 -1.611 513 HG1 THR 584 1HG THR 584 3.575 -13.491 0.486 514 HG21 THR 584 3HG2 THR 584 6.401 -13.780 -0.880 515 HG22 THR 584 1HG2 THR 584 6.144 -13.103 -2.505 516 HG23 THR 584 2HG2 THR 584 6.443 -12.014 -1.152 517 H SER 585 H SER 585 2.693 -11.169 -4.126 518 HA SER 585 HA SER 585 0.055 -10.895 -3.081 519 HG SER 585 HG SER 585 -0.801 -9.681 -5.952 520 HB2 SER 585 1HB SER 585 1.354 -10.761 -5.698 521 HB3 SER 585 2HB SER 585 -0.184 -11.622 -5.788 522 H LYS 586 H LYS 586 1.876 -13.700 -3.385 523 HA LYS 586 HA LYS 586 -0.147 -15.656 -3.890 524 HB2 LYS 586 1HB LYS 586 2.446 -15.813 -2.263 525 HB3 LYS 586 2HB LYS 586 1.424 -17.172 -2.727 526 HG2 LYS 586 1HG LYS 586 2.858 -17.312 -4.472 527 HG3 LYS 586 2HG LYS 586 1.712 -16.172 -5.157 528 HD2 LYS 586 1HD LYS 586 3.332 -14.319 -4.303 529 HD3 LYS 586 2HD LYS 586 4.523 -15.609 -4.119 530 HE2 LYS 586 1HE LYS 586 2.969 -15.322 -6.708 531 HE3 LYS 586 2HE LYS 586 4.243 -14.155 -6.384 532 HZ1 LYS 586 3HZ LYS 586 5.870 -15.785 -6.560 533 HZ2 LYS 586 1HZ LYS 586 4.841 -17.033 -6.260 534 HZ3 LYS 586 2HZ LYS 586 4.777 -16.269 -7.679 535 H GLU 587 H GLU 587 0.756 -13.785 -0.949 536 HA GLU 587 HA GLU 587 -0.624 -15.399 0.863 537 HB2 GLU 587 1HB GLU 587 0.492 -12.639 0.888 538 HB3 GLU 587 2HB GLU 587 -0.980 -12.762 1.823 539 HG2 GLU 587 1HG GLU 587 0.510 -13.288 3.427 540 HG3 GLU 587 2HG GLU 587 0.054 -14.893 2.904 541 HA PRO 588 HA PRO 588 -5.014 -14.329 0.324 542 HB2 PRO 588 1HB PRO 588 -5.244 -14.181 3.264 543 HB3 PRO 588 2HB PRO 588 -6.099 -15.243 2.111 544 HG2 PRO 588 1HG PRO 588 -4.128 -16.171 3.817 545 HG3 PRO 588 2HG PRO 588 -4.396 -16.847 2.183 546 HD2 PRO 588 1HD PRO 588 -2.365 -14.794 3.076 547 HD3 PRO 588 2HD PRO 588 -2.133 -16.223 2.043 548 H VAL 589 H VAL 589 -5.651 -12.239 -0.145 549 HA VAL 589 HA VAL 589 -4.548 -9.854 0.768 550 HB VAL 589 HB VAL 589 -7.522 -10.378 0.269 551 HG11 VAL 589 1HG1 VAL 589 -7.118 -8.184 1.357 552 HG12 VAL 589 2HG1 VAL 589 -5.933 -7.769 0.104 553 HG13 VAL 589 3HG1 VAL 589 -7.650 -7.989 -0.309 554 HG21 VAL 589 3HG2 VAL 589 -7.064 -9.582 -2.034 555 HG22 VAL 589 1HG2 VAL 589 -5.336 -9.495 -1.637 556 HG23 VAL 589 2HG2 VAL 589 -6.199 -11.054 -1.676 557 H ALA 590 H ALA 590 -7.168 -11.715 2.328 558 HA ALA 590 HA ALA 590 -7.691 -10.082 4.534 559 HB1 ALA 590 1HB ALA 590 -7.652 -13.119 4.272 560 HB2 ALA 590 2HB ALA 590 -8.280 -12.267 5.684 561 HB3 ALA 590 3HB ALA 590 -9.040 -12.006 4.117 562 H SER 591 H SER 591 -5.245 -12.750 4.375 563 HA SER 591 HA SER 591 -4.504 -12.267 7.097 564 HG SER 591 HG SER 591 -2.795 -15.022 7.295 565 HB2 SER 591 1HB SER 591 -4.380 -14.495 5.977 566 HB3 SER 591 2HB SER 591 -3.046 -13.899 4.970 567 H ILE 592 H ILE 592 -3.028 -11.228 3.925 568 HA ILE 592 HA ILE 592 -0.792 -10.072 5.102 569 HB ILE 592 HB ILE 592 -1.875 -10.520 2.544 570 HG12 ILE 592 1HG1 ILE 592 0.400 -10.925 3.306 571 HG13 ILE 592 2HG1 ILE 592 0.342 -10.073 1.763 572 HG21 ILE 592 1HG2 ILE 592 -1.473 -8.476 1.285 573 HG22 ILE 592 2HG2 ILE 592 -2.902 -8.374 2.326 574 HG23 ILE 592 3HG2 ILE 592 -1.392 -7.548 2.792 575 HD11 ILE 592 3HD1 ILE 592 0.693 -8.666 4.438 576 HD12 ILE 592 1HD1 ILE 592 2.046 -9.194 3.417 577 HD13 ILE 592 2HD1 ILE 592 0.891 -7.980 2.809 578 H ILE 593 H ILE 593 -4.090 -8.737 4.542 579 HA ILE 593 HA ILE 593 -3.539 -6.164 5.598 580 HB ILE 593 HB ILE 593 -6.056 -7.798 5.217 581 HG12 ILE 593 1HG1 ILE 593 -4.965 -5.198 4.021 582 HG13 ILE 593 2HG1 ILE 593 -4.851 -6.783 3.275 583 HG21 ILE 593 1HG2 ILE 593 -7.406 -5.825 5.885 584 HG22 ILE 593 2HG2 ILE 593 -6.510 -6.482 7.236 585 HG23 ILE 593 3HG2 ILE 593 -5.922 -5.008 6.438 586 HD11 ILE 593 3HD1 ILE 593 -6.651 -5.671 2.199 587 HD12 ILE 593 1HD1 ILE 593 -7.394 -6.885 3.263 588 HD13 ILE 593 2HD1 ILE 593 -7.373 -5.168 3.728 589 H THR 594 H THR 594 -4.818 -9.077 7.429 590 HA THR 594 HA THR 594 -4.666 -8.102 9.935 591 HB THR 594 HB THR 594 -3.631 -10.819 9.108 592 HG1 THR 594 1HG THR 594 -6.255 -10.461 9.956 593 HG21 THR 594 3HG2 THR 594 -4.897 -9.806 11.686 594 HG22 THR 594 1HG2 THR 594 -4.663 -11.524 11.304 595 HG23 THR 594 2HG2 THR 594 -3.261 -10.462 11.483 596 H LYS 595 H LYS 595 -1.612 -8.787 8.014 597 HA LYS 595 HA LYS 595 0.053 -8.509 10.344 598 HB2 LYS 595 1HB LYS 595 0.524 -8.311 7.348 599 HB3 LYS 595 2HB LYS 595 1.730 -7.854 8.511 600 HG2 LYS 595 1HG LYS 595 2.327 -9.949 8.925 601 HG3 LYS 595 2HG LYS 595 0.673 -10.424 9.322 602 HD2 LYS 595 1HD LYS 595 0.157 -10.766 6.972 603 HD3 LYS 595 2HD LYS 595 1.808 -10.311 6.490 604 HE2 LYS 595 1HE LYS 595 1.109 -12.619 8.369 605 HE3 LYS 595 2HE LYS 595 1.380 -12.815 6.629 606 HZ1 LYS 595 3HZ LYS 595 3.286 -13.313 8.041 607 HZ2 LYS 595 1HZ LYS 595 3.637 -12.166 6.915 608 HZ3 LYS 595 2HZ LYS 595 3.395 -11.762 8.515 609 H LEU 596 H LEU 596 -1.042 -6.078 7.757 610 HA LEU 596 HA LEU 596 0.161 -3.893 9.037 611 HG LEU 596 HG LEU 596 -1.117 -2.939 5.762 612 HB2 LEU 596 1HB LEU 596 -2.420 -4.159 7.416 613 HB3 LEU 596 2HB LEU 596 -1.713 -2.655 7.923 614 HD11 LEU 596 1HD1 LEU 596 1.413 -3.908 7.148 615 HD12 LEU 596 2HD1 LEU 596 1.301 -2.832 5.746 616 HD13 LEU 596 3HD1 LEU 596 0.773 -2.275 7.348 617 HD21 LEU 596 3HD2 LEU 596 0.024 -5.697 6.098 618 HD22 LEU 596 1HD2 LEU 596 -1.533 -5.264 5.342 619 HD23 LEU 596 2HD2 LEU 596 -0.011 -4.716 4.632 620 H ASN 597 H ASN 597 -3.031 -5.351 9.573 621 HA ASN 597 HA ASN 597 -3.994 -3.568 11.484 622 HB2 ASN 597 1HB ASN 597 -4.432 -6.585 11.631 623 HB3 ASN 597 2HB ASN 597 -5.453 -5.345 12.333 624 HD21 ASN 597 1HD2 ASN 597 -6.903 -6.939 10.763 625 HD22 ASN 597 2HD2 ASN 597 -7.040 -6.331 9.147 626 H SER 598 H SER 598 -1.785 -6.316 12.052 627 HA SER 598 HA SER 598 -1.725 -6.083 14.898 628 HG SER 598 HG SER 598 0.449 -6.812 12.089 629 HB2 SER 598 1HB SER 598 0.130 -7.569 14.823 630 HB3 SER 598 2HB SER 598 -0.968 -8.036 13.527 631 H LEU 599 H LEU 599 0.271 -4.658 12.372 632 HA LEU 599 HA LEU 599 2.108 -3.281 14.107 633 HG LEU 599 HG LEU 599 2.319 -5.164 11.771 634 HB2 LEU 599 1HB LEU 599 1.381 -2.863 11.178 635 HB3 LEU 599 2HB LEU 599 2.760 -2.121 11.978 636 HD11 LEU 599 1HD1 LEU 599 4.084 -3.369 10.047 637 HD12 LEU 599 2HD1 LEU 599 3.987 -5.140 9.967 638 HD13 LEU 599 3HD1 LEU 599 2.582 -4.165 9.523 639 HD21 LEU 599 3HD2 LEU 599 4.794 -3.535 12.514 640 HD22 LEU 599 1HD2 LEU 599 3.826 -4.547 13.612 641 HD23 LEU 599 2HD2 LEU 599 4.730 -5.295 12.297 642 H ASN 600 H ASN 600 -0.894 -2.379 12.520 643 HA ASN 600 HA ASN 600 -2.489 -0.882 12.990 644 HB2 ASN 600 1HB ASN 600 -2.197 -1.617 15.305 645 HB3 ASN 600 2HB ASN 600 -0.952 -0.376 15.557 646 HD21 ASN 600 1HD2 ASN 600 -1.794 1.274 16.729 647 HD22 ASN 600 2HD2 ASN 600 -3.409 1.950 16.517 648 H GLU 601 H GLU 601 0.416 -0.119 11.964 649 HA GLU 601 HA GLU 601 0.632 2.606 12.545 650 HB2 GLU 601 1HB GLU 601 1.926 0.804 10.505 651 HB3 GLU 601 2HB GLU 601 2.241 2.530 10.445 652 HG2 GLU 601 1HG GLU 601 2.595 0.836 12.940 653 HG3 GLU 601 2HG GLU 601 3.906 1.202 11.805 654 HA PRO 602 HA PRO 602 -2.099 4.327 9.386 655 HB2 PRO 602 1HB PRO 602 -1.003 6.864 9.159 656 HB3 PRO 602 2HB PRO 602 -2.058 6.342 10.496 657 HG2 PRO 602 1HG PRO 602 0.941 6.472 10.466 658 HG3 PRO 602 2HG PRO 602 -0.197 6.967 11.763 659 HD2 PRO 602 1HD PRO 602 1.176 4.609 11.760 660 HD3 PRO 602 2HD PRO 602 -0.462 4.761 12.469 661 H LEU 603 H LEU 603 -1.865 3.509 7.399 662 HA LEU 603 HA LEU 603 0.809 3.480 6.128 663 HG LEU 603 HG LEU 603 -0.368 1.530 7.562 664 HB2 LEU 603 1HB LEU 603 -1.715 2.068 5.193 665 HB3 LEU 603 2HB LEU 603 -0.099 1.777 4.626 666 HD11 LEU 603 1HD1 LEU 603 -1.611 -0.631 5.841 667 HD12 LEU 603 2HD1 LEU 603 -1.403 -0.576 7.617 668 HD13 LEU 603 3HD1 LEU 603 -2.520 0.534 6.851 669 HD21 LEU 603 3HD2 LEU 603 1.647 1.057 6.129 670 HD22 LEU 603 1HD2 LEU 603 1.185 -0.110 7.370 671 HD23 LEU 603 2HD2 LEU 603 0.810 -0.436 5.652 672 H VAL 604 H VAL 604 0.898 3.560 3.659 673 HA VAL 604 HA VAL 604 -1.153 5.148 2.348 674 HB VAL 604 HB VAL 604 0.174 6.931 3.170 675 HG11 VAL 604 1HG1 VAL 604 2.592 7.207 2.779 676 HG12 VAL 604 2HG1 VAL 604 2.243 5.782 3.788 677 HG13 VAL 604 3HG1 VAL 604 2.660 5.578 2.090 678 HG21 VAL 604 3HG2 VAL 604 0.873 8.128 1.267 679 HG22 VAL 604 1HG2 VAL 604 1.127 6.648 0.312 680 HG23 VAL 604 2HG2 VAL 604 -0.520 7.147 0.777 681 H THR 605 H THR 605 -1.691 3.230 1.133 682 HA THR 605 HA THR 605 0.048 3.016 -1.099 683 HB THR 605 HB THR 605 0.689 1.204 0.899 684 HG1 THR 605 1HG THR 605 1.981 0.349 -0.736 685 HG21 THR 605 3HG2 THR 605 -1.332 -0.151 0.389 686 HG22 THR 605 1HG2 THR 605 -0.761 -0.325 -1.294 687 HG23 THR 605 2HG2 THR 605 0.189 -1.003 0.012 688 H MET 606 H MET 606 -1.009 1.929 -2.895 689 HA MET 606 HA MET 606 -3.791 2.321 -3.072 690 HB2 MET 606 1HB MET 606 -3.416 1.720 -5.331 691 HB3 MET 606 2HB MET 606 -2.069 2.632 -4.774 692 HG2 MET 606 1HG MET 606 -0.716 1.100 -5.229 693 HG3 MET 606 2HG MET 606 -1.440 -0.104 -4.198 694 HE1 MET 606 3HE MET 606 -2.304 0.505 -8.684 695 HE2 MET 606 1HE MET 606 -3.299 1.379 -7.501 696 HE3 MET 606 2HE MET 606 -1.559 1.665 -7.545 697 HA PRO 607 HA PRO 607 -5.715 -1.211 -1.856 698 HB2 PRO 607 1HB PRO 607 -7.202 -2.339 -3.887 699 HB3 PRO 607 2HB PRO 607 -7.587 -0.847 -2.984 700 HG2 PRO 607 1HG PRO 607 -6.457 -1.123 -5.718 701 HG3 PRO 607 2HG PRO 607 -7.538 0.135 -5.040 702 HD2 PRO 607 1HD PRO 607 -4.802 0.329 -5.432 703 HD3 PRO 607 2HD PRO 607 -5.674 1.397 -4.323 704 H ILE 608 H ILE 608 -4.778 -2.857 -1.070 705 HA ILE 608 HA ILE 608 -2.752 -4.393 -2.230 706 HB ILE 608 HB ILE 608 -4.581 -4.803 0.191 707 HG12 ILE 608 1HG1 ILE 608 -3.320 -2.697 0.339 708 HG13 ILE 608 2HG1 ILE 608 -2.947 -3.843 1.607 709 HG21 ILE 608 1HG2 ILE 608 -3.595 -6.960 -0.158 710 HG22 ILE 608 2HG2 ILE 608 -1.973 -6.257 -0.352 711 HG23 ILE 608 3HG2 ILE 608 -2.801 -6.189 1.217 712 HD11 ILE 608 3HD1 ILE 608 -0.936 -2.748 0.905 713 HD12 ILE 608 1HD1 ILE 608 -0.818 -4.439 0.450 714 HD13 ILE 608 2HD1 ILE 608 -1.194 -3.212 -0.790 715 H GLY 609 H GLY 609 -6.186 -5.268 -1.798 716 HA2 GLY 609 1HA GLY 609 -5.699 -7.766 -3.309 717 HA3 GLY 609 2HA GLY 609 -7.106 -7.364 -2.310 718 H TYR 610 H TYR 610 -5.408 -6.261 -5.160 719 HA TYR 610 HA TYR 610 -8.040 -5.733 -6.530 720 HD1 TYR 610 1HD TYR 610 -9.421 -4.532 -7.620 721 HD2 TYR 610 2HD TYR 610 -5.890 -2.070 -8.320 722 HE1 TYR 610 1HE TYR 610 -10.537 -3.416 -9.389 723 HE2 TYR 610 2HE TYR 610 -7.040 -1.046 -10.259 724 HH TYR 610 HH TYR 610 -9.799 -2.170 -11.704 725 HB2 TYR 610 1HB TYR 610 -7.182 -3.566 -5.727 726 HB3 TYR 610 2HB TYR 610 -5.735 -3.788 -6.702 727 H VAL 611 H VAL 611 -6.515 -4.964 -8.969 728 HA VAL 611 HA VAL 611 -6.008 -7.031 -10.480 729 HB VAL 611 HB VAL 611 -3.961 -5.801 -11.431 730 HG11 VAL 611 1HG1 VAL 611 -5.381 -4.003 -12.401 731 HG12 VAL 611 2HG1 VAL 611 -6.273 -5.521 -12.335 732 HG13 VAL 611 3HG1 VAL 611 -6.593 -4.253 -11.133 733 HG21 VAL 611 3HG2 VAL 611 -3.209 -4.548 -9.493 734 HG22 VAL 611 1HG2 VAL 611 -3.622 -3.505 -10.839 735 HG23 VAL 611 2HG2 VAL 611 -4.729 -3.628 -9.469 736 H THR 612 H THR 612 -3.519 -6.041 -8.160 737 HA THR 612 HA THR 612 -1.511 -7.921 -8.579 738 HB THR 612 HB THR 612 -1.099 -7.406 -6.077 739 HG1 THR 612 1HG THR 612 -2.538 -5.598 -5.403 740 HG21 THR 612 3HG2 THR 612 -0.591 -5.027 -6.476 741 HG22 THR 612 1HG2 THR 612 -0.134 -6.020 -7.870 742 HG23 THR 612 2HG2 THR 612 -1.605 -5.039 -7.941 743 H HIS 613 H HIS 613 -4.605 -8.354 -7.063 744 HA HIS 613 HA HIS 613 -4.036 -11.128 -6.295 745 HD1 HIS 613 1HD HIS 613 -3.288 -8.392 -3.829 746 HD2 HIS 613 2HD HIS 613 -4.737 -12.347 -3.292 747 HE1 HIS 613 1HE HIS 613 -1.783 -9.532 -2.072 748 HE2 HIS 613 2HE HIS 613 -2.704 -11.972 -1.791 749 HB2 HIS 613 1HB HIS 613 -5.794 -9.102 -4.998 750 HB3 HIS 613 2HB HIS 613 -6.145 -10.815 -4.846 751 H GLY 614 H GLY 614 -5.135 -9.602 -8.901 752 HA2 GLY 614 1HA GLY 614 -6.693 -9.940 -10.531 753 HA3 GLY 614 2HA GLY 614 -7.000 -11.539 -9.845 754 H PHE 615 H PHE 615 -7.492 -8.616 -7.854 755 HA PHE 615 HA PHE 615 -10.227 -9.651 -7.267 756 HD1 PHE 615 1HD PHE 615 -8.763 -11.108 -5.858 757 HD2 PHE 615 2HD PHE 615 -9.786 -7.767 -3.373 758 HE1 PHE 615 1HE PHE 615 -8.946 -12.619 -3.887 759 HE2 PHE 615 2HE PHE 615 -9.979 -9.206 -1.411 760 HZ PHE 615 HZ PHE 615 -9.568 -11.695 -1.656 761 HB2 PHE 615 1HB PHE 615 -8.163 -8.002 -5.901 762 HB3 PHE 615 2HB PHE 615 -9.816 -7.506 -5.652 763 H ASN 616 H ASN 616 -11.916 -8.130 -7.087 764 HA ASN 616 HA ASN 616 -11.859 -6.073 -9.218 765 HB2 ASN 616 1HB ASN 616 -14.214 -6.739 -7.365 766 HB3 ASN 616 2HB ASN 616 -14.292 -5.919 -8.923 767 HD21 ASN 616 1HD2 ASN 616 -15.484 -8.572 -7.685 768 HD22 ASN 616 2HD2 ASN 616 -15.154 -9.740 -8.919 769 H LEU 617 H LEU 617 -12.943 -4.003 -8.757 770 HA LEU 617 HA LEU 617 -11.498 -2.662 -6.703 771 HG LEU 617 HG LEU 617 -13.122 -0.091 -6.471 772 HB2 LEU 617 1HB LEU 617 -12.379 -1.760 -8.907 773 HB3 LEU 617 2HB LEU 617 -13.990 -1.714 -8.194 774 HD11 LEU 617 1HD1 LEU 617 -10.599 -0.303 -8.187 775 HD12 LEU 617 2HD1 LEU 617 -10.884 0.988 -6.990 776 HD13 LEU 617 3HD1 LEU 617 -10.724 -0.686 -6.439 777 HD21 LEU 617 3HD2 LEU 617 -12.913 1.804 -8.016 778 HD22 LEU 617 1HD2 LEU 617 -12.524 0.680 -9.353 779 HD23 LEU 617 2HD2 LEU 617 -14.142 0.671 -8.622 780 H GLU 618 H GLU 618 -14.783 -3.968 -6.890 781 HA GLU 618 HA GLU 618 -15.728 -3.081 -4.342 782 HB2 GLU 618 1HB GLU 618 -17.224 -3.984 -6.005 783 HB3 GLU 618 2HB GLU 618 -16.358 -5.536 -6.003 784 HG2 GLU 618 1HG GLU 618 -16.941 -5.797 -3.564 785 HG3 GLU 618 2HG GLU 618 -17.848 -4.282 -3.639 786 H GLU 619 H GLU 619 -14.464 -6.425 -5.193 787 HA GLU 619 HA GLU 619 -14.256 -7.167 -2.591 788 HB2 GLU 619 1HB GLU 619 -13.109 -8.047 -5.208 789 HB3 GLU 619 2HB GLU 619 -12.315 -8.696 -3.768 790 HG2 GLU 619 1HG GLU 619 -15.345 -8.692 -3.983 791 HG3 GLU 619 2HG GLU 619 -14.374 -9.953 -4.715 792 H ALA 620 H ALA 620 -11.678 -5.474 -4.401 793 HA ALA 620 HA ALA 620 -9.734 -5.458 -2.396 794 HB1 ALA 620 1HB ALA 620 -8.903 -3.493 -3.473 795 HB2 ALA 620 2HB ALA 620 -9.606 -4.446 -4.772 796 HB3 ALA 620 3HB ALA 620 -10.518 -3.077 -4.152 797 H ALA 621 H ALA 621 -12.471 -3.164 -2.716 798 HA ALA 621 HA ALA 621 -11.910 -1.662 -0.335 799 HB1 ALA 621 1HB ALA 621 -14.367 -1.031 -0.664 800 HB2 ALA 621 2HB ALA 621 -13.291 -0.678 -2.025 801 HB3 ALA 621 3HB ALA 621 -14.375 -2.076 -2.075 802 H ARG 622 H ARG 622 -14.099 -4.409 -1.034 803 HA ARG 622 HA ARG 622 -15.169 -4.606 1.613 804 HE ARG 622 HE ARG 622 -18.521 -6.496 1.164 805 HB2 ARG 622 1HB ARG 622 -14.986 -6.758 -0.526 806 HB3 ARG 622 2HB ARG 622 -15.921 -6.856 0.969 807 HG2 ARG 622 1HG ARG 622 -17.082 -4.659 0.207 808 HG3 ARG 622 2HG ARG 622 -16.351 -4.960 -1.360 809 HD2 ARG 622 1HD ARG 622 -18.270 -6.034 -1.745 810 HD3 ARG 622 2HD ARG 622 -17.453 -7.403 -0.992 811 HH11 ARG 622 2HH2 ARG 622 -20.191 -6.184 -2.044 812 HH12 ARG 622 1HH2 ARG 622 -21.741 -6.126 -1.254 813 HH21 ARG 622 2HH1 ARG 622 -20.621 -6.173 2.060 814 HH22 ARG 622 1HH1 ARG 622 -21.959 -5.818 1.022 815 H CYS 623 H CYS 623 -12.133 -5.809 0.268 816 HA CYS 623 HA CYS 623 -11.549 -7.294 2.718 817 HG CYS 623 HG CYS 623 -11.351 -9.288 1.180 818 HB2 CYS 623 1HB CYS 623 -10.518 -7.204 0.036 819 HB3 CYS 623 2HB CYS 623 -9.189 -6.801 1.090 820 H MET 624 H MET 624 -10.823 -4.016 1.412 821 HA MET 624 HA MET 624 -8.766 -3.449 3.379 822 HB2 MET 624 1HB MET 624 -10.280 -1.768 1.365 823 HB3 MET 624 2HB MET 624 -9.473 -0.986 2.724 824 HG2 MET 624 1HG MET 624 -7.380 -2.339 2.101 825 HG3 MET 624 2HG MET 624 -8.214 -2.613 0.543 826 HE1 MET 624 3HE MET 624 -5.409 -1.452 0.336 827 HE2 MET 624 1HE MET 624 -5.246 0.335 0.393 828 HE3 MET 624 2HE MET 624 -5.406 -0.613 1.898 829 H ARG 625 H ARG 625 -12.333 -3.147 3.409 830 HA ARG 625 HA ARG 625 -12.486 -1.593 5.727 831 HE ARG 625 HE ARG 625 -15.378 -5.397 7.340 832 HB2 ARG 625 1HB ARG 625 -14.668 -2.516 6.043 833 HB3 ARG 625 2HB ARG 625 -14.360 -2.019 4.344 834 HG2 ARG 625 1HG ARG 625 -14.702 -4.016 3.574 835 HG3 ARG 625 2HG ARG 625 -13.545 -4.691 4.728 836 HD2 ARG 625 1HD ARG 625 -16.287 -4.056 5.760 837 HD3 ARG 625 2HD ARG 625 -16.191 -5.361 4.584 838 HH11 ARG 625 2HH2 ARG 625 -14.798 -7.040 4.214 839 HH12 ARG 625 1HH2 ARG 625 -14.657 -8.600 4.916 840 HH21 ARG 625 2HH1 ARG 625 -14.541 -7.393 8.243 841 HH22 ARG 625 1HH1 ARG 625 -14.415 -8.788 7.243 842 H SER 626 H SER 626 -11.478 -4.872 5.495 843 HA SER 626 HA SER 626 -11.747 -5.334 8.385 844 HG SER 626 HG SER 626 -9.990 -7.635 8.483 845 HB2 SER 626 1HB SER 626 -12.033 -7.138 6.601 846 HB3 SER 626 2HB SER 626 -10.275 -7.069 6.362 847 H LEU 627 H LEU 627 -9.619 -3.361 6.705 848 HA LEU 627 HA LEU 627 -7.263 -4.051 8.261 849 HG LEU 627 HG LEU 627 -6.419 -0.998 8.505 850 HB2 LEU 627 1HB LEU 627 -7.022 -2.779 6.110 851 HB3 LEU 627 2HB LEU 627 -8.120 -1.553 6.739 852 HD11 LEU 627 1HD1 LEU 627 -4.699 -2.452 8.725 853 HD12 LEU 627 2HD1 LEU 627 -4.765 -3.000 7.030 854 HD13 LEU 627 3HD1 LEU 627 -3.978 -1.477 7.481 855 HD21 LEU 627 3HD2 LEU 627 -5.617 -0.523 5.625 856 HD22 LEU 627 1HD2 LEU 627 -6.862 0.380 6.543 857 HD23 LEU 627 2HD2 LEU 627 -5.183 0.454 7.048 858 H LYS 628 H LYS 628 -6.758 -3.119 10.249 859 HA LYS 628 HA LYS 628 -8.957 -1.585 11.595 860 HB2 LYS 628 1HB LYS 628 -6.743 -3.347 12.718 861 HB3 LYS 628 2HB LYS 628 -7.860 -2.404 13.693 862 HG2 LYS 628 1HG LYS 628 -8.683 -4.644 11.798 863 HG3 LYS 628 2HG LYS 628 -8.592 -4.723 13.548 864 HD2 LYS 628 1HD LYS 628 -10.214 -2.603 13.433 865 HD3 LYS 628 2HD LYS 628 -10.554 -3.242 11.800 866 HE2 LYS 628 1HE LYS 628 -11.208 -5.403 12.797 867 HE3 LYS 628 2HE LYS 628 -10.854 -4.764 14.407 868 HZ1 LYS 628 3HZ LYS 628 -12.563 -3.078 14.019 869 HZ2 LYS 628 1HZ LYS 628 -12.903 -3.728 12.569 870 HZ3 LYS 628 2HZ LYS 628 -13.175 -4.608 13.937 871 H ALA 629 H ALA 629 -5.848 -1.067 10.321 872 HA ALA 629 HA ALA 629 -5.282 1.236 12.029 873 HB1 ALA 629 1HB ALA 629 -3.320 1.450 10.572 874 HB2 ALA 629 2HB ALA 629 -3.434 -0.229 11.120 875 HB3 ALA 629 3HB ALA 629 -3.940 0.218 9.468 876 HA PRO 630 HA PRO 630 -6.981 3.908 8.632 877 HB2 PRO 630 1HB PRO 630 -5.373 6.101 8.944 878 HB3 PRO 630 2HB PRO 630 -6.755 5.745 10.036 879 HG2 PRO 630 1HG PRO 630 -3.818 5.189 10.403 880 HG3 PRO 630 2HG PRO 630 -4.951 5.879 11.582 881 HD2 PRO 630 1HD PRO 630 -4.171 3.242 11.517 882 HD3 PRO 630 2HD PRO 630 -5.803 3.699 12.088 883 H ALA 631 H ALA 631 -6.203 4.503 6.495 884 HA ALA 631 HA ALA 631 -3.385 4.203 5.806 885 HB1 ALA 631 1HB ALA 631 -3.845 2.502 4.071 886 HB2 ALA 631 2HB ALA 631 -4.078 1.856 5.700 887 HB3 ALA 631 3HB ALA 631 -5.488 2.286 4.698 888 H VAL 632 H VAL 632 -2.990 5.186 3.810 889 HA VAL 632 HA VAL 632 -5.177 6.744 2.581 890 HB VAL 632 HB VAL 632 -2.149 6.969 2.497 891 HG11 VAL 632 1HG1 VAL 632 -4.231 8.802 1.286 892 HG12 VAL 632 2HG1 VAL 632 -2.491 9.086 1.382 893 HG13 VAL 632 3HG1 VAL 632 -3.074 7.761 0.387 894 HG21 VAL 632 3HG2 VAL 632 -2.500 9.061 3.753 895 HG22 VAL 632 1HG2 VAL 632 -4.235 8.702 3.869 896 HG23 VAL 632 2HG2 VAL 632 -3.015 7.646 4.655 897 H VAL 633 H VAL 633 -6.133 5.700 0.876 898 HA VAL 633 HA VAL 633 -4.517 3.688 -0.580 899 HB VAL 633 HB VAL 633 -5.843 2.612 0.424 900 HG11 VAL 633 1HG1 VAL 633 -7.304 4.130 1.510 901 HG12 VAL 633 2HG1 VAL 633 -8.518 3.549 0.291 902 HG13 VAL 633 3HG1 VAL 633 -7.679 2.439 1.364 903 HG21 VAL 633 3HG2 VAL 633 -7.231 2.822 -2.230 904 HG22 VAL 633 1HG2 VAL 633 -5.893 1.743 -1.733 905 HG23 VAL 633 2HG2 VAL 633 -7.527 1.506 -1.111 906 H SER 634 H SER 634 -3.670 4.460 -2.344 907 HA SER 634 HA SER 634 -5.044 6.611 -3.780 908 HG SER 634 HG SER 634 -2.931 6.789 -5.984 909 HB2 SER 634 1HB SER 634 -2.599 6.605 -3.209 910 HB3 SER 634 2HB SER 634 -2.386 5.351 -4.447 911 H VAL 635 H VAL 635 -6.804 5.664 -4.811 912 HA VAL 635 HA VAL 635 -6.333 3.461 -6.742 913 HB VAL 635 HB VAL 635 -8.638 3.984 -7.495 914 HG11 VAL 635 1HG1 VAL 635 -8.157 2.182 -5.852 915 HG12 VAL 635 2HG1 VAL 635 -8.386 3.318 -4.516 916 HG13 VAL 635 3HG1 VAL 635 -9.753 2.896 -5.572 917 HG21 VAL 635 3HG2 VAL 635 -10.147 5.278 -6.081 918 HG22 VAL 635 1HG2 VAL 635 -8.827 5.727 -5.002 919 HG23 VAL 635 2HG2 VAL 635 -8.840 6.321 -6.677 920 H SER 636 H SER 636 -7.275 4.132 -9.033 921 HA SER 636 HA SER 636 -5.313 5.560 -10.215 922 HG SER 636 HG SER 636 -8.917 4.914 -11.877 923 HB2 SER 636 1HB SER 636 -6.939 5.537 -12.226 924 HB3 SER 636 2HB SER 636 -6.515 3.987 -11.489 925 H SER 637 H SER 637 -8.652 6.686 -9.754 926 HA SER 637 HA SER 637 -7.874 9.549 -10.161 927 HG SER 637 HG SER 637 -9.094 7.078 -12.707 928 HB2 SER 637 1HB SER 637 -10.275 8.397 -11.493 929 HB3 SER 637 2HB SER 637 -9.217 9.719 -12.011 930 HA PRO 638 HA PRO 638 -10.741 10.205 -7.138 931 HB2 PRO 638 1HB PRO 638 -12.156 12.528 -7.834 932 HB3 PRO 638 2HB PRO 638 -10.485 12.474 -7.209 933 HG2 PRO 638 1HG PRO 638 -11.397 12.618 -10.098 934 HG3 PRO 638 2HG PRO 638 -10.036 13.489 -9.312 935 HD2 PRO 638 1HD PRO 638 -9.589 11.348 -10.804 936 HD3 PRO 638 2HD PRO 638 -8.647 11.665 -9.317 937 H ASP 639 H ASP 639 -12.245 9.987 -10.306 938 HA ASP 639 HA ASP 639 -14.898 9.420 -9.502 939 HB2 ASP 639 1HB ASP 639 -13.301 8.493 -11.913 940 HB3 ASP 639 2HB ASP 639 -15.037 8.221 -11.693 941 H ALA 640 H ALA 640 -11.978 7.431 -9.445 942 HA ALA 640 HA ALA 640 -13.422 4.936 -8.922 943 HB1 ALA 640 1HB ALA 640 -10.446 5.553 -8.688 944 HB2 ALA 640 2HB ALA 640 -11.213 3.962 -8.596 945 HB3 ALA 640 3HB ALA 640 -11.262 4.871 -10.116 946 H VAL 641 H VAL 641 -11.902 7.592 -7.079 947 HA VAL 641 HA VAL 641 -11.809 6.287 -4.552 948 HB VAL 641 HB VAL 641 -12.198 9.258 -5.158 949 HG11 VAL 641 1HG1 VAL 641 -12.701 8.852 -2.835 950 HG12 VAL 641 2HG1 VAL 641 -11.259 7.802 -2.663 951 HG13 VAL 641 3HG1 VAL 641 -11.087 9.555 -2.918 952 HG21 VAL 641 3HG2 VAL 641 -10.103 8.258 -6.137 953 HG22 VAL 641 1HG2 VAL 641 -9.804 9.475 -4.900 954 HG23 VAL 641 2HG2 VAL 641 -9.652 7.751 -4.505 955 H THR 642 H THR 642 -14.370 8.391 -5.970 956 HA THR 642 HA THR 642 -16.251 7.960 -3.853 957 HB THR 642 HB THR 642 -16.341 8.972 -6.686 958 HG1 THR 642 1HG THR 642 -15.520 10.286 -5.021 959 HG21 THR 642 3HG2 THR 642 -18.660 9.731 -6.381 960 HG22 THR 642 1HG2 THR 642 -18.571 7.975 -6.411 961 HG23 THR 642 2HG2 THR 642 -18.767 8.813 -4.854 962 H THR 643 H THR 643 -15.327 5.885 -6.504 963 HA THR 643 HA THR 643 -17.701 4.198 -6.299 964 HB THR 643 HB THR 643 -14.967 3.675 -7.547 965 HG1 THR 643 1HG THR 643 -15.938 5.374 -8.612 966 HG21 THR 643 3HG2 THR 643 -16.115 1.610 -7.175 967 HG22 THR 643 1HG2 THR 643 -17.637 2.255 -7.790 968 HG23 THR 643 2HG2 THR 643 -16.256 1.994 -8.888 969 H TYR 644 H TYR 644 -14.299 3.978 -5.206 970 HA TYR 644 HA TYR 644 -14.489 1.526 -3.930 971 HD1 TYR 644 1HD TYR 644 -12.028 2.704 -1.073 972 HD2 TYR 644 2HD TYR 644 -11.735 0.688 -4.831 973 HE1 TYR 644 1HE TYR 644 -10.449 0.988 -0.037 974 HE2 TYR 644 2HE TYR 644 -10.201 -0.991 -3.848 975 HH TYR 644 HH TYR 644 -9.055 -0.811 -0.524 976 HB2 TYR 644 1HB TYR 644 -12.502 2.903 -4.733 977 HB3 TYR 644 2HB TYR 644 -12.636 3.827 -3.262 978 H ASN 645 H ASN 645 -14.523 4.793 -2.311 979 HA ASN 645 HA ASN 645 -15.005 3.864 0.301 980 HB2 ASN 645 1HB ASN 645 -16.179 6.383 -0.884 981 HB3 ASN 645 2HB ASN 645 -15.870 6.050 0.804 982 HD21 ASN 645 1HD2 ASN 645 -14.887 8.014 -1.411 983 HD22 ASN 645 2HD2 ASN 645 -13.153 7.983 -1.252 984 H GLY 646 H GLY 646 -17.218 4.327 -2.390 985 HA2 GLY 646 1HA GLY 646 -19.739 4.146 -1.070 986 HA3 GLY 646 2HA GLY 646 -19.395 3.540 -2.708 987 H TYR 647 H TYR 647 -17.594 1.518 -2.325 988 HA TYR 647 HA TYR 647 -19.209 -0.607 -1.316 989 HD1 TYR 647 2HD TYR 647 -19.606 -1.112 -3.574 990 HD2 TYR 647 1HD TYR 647 -15.333 -0.616 -4.016 991 HE1 TYR 647 2HE TYR 647 -19.880 -0.963 -6.016 992 HE2 TYR 647 1HE TYR 647 -15.601 -0.521 -6.458 993 HH TYR 647 HH TYR 647 -18.718 -0.206 -8.057 994 HB2 TYR 647 1HB TYR 647 -16.247 -0.624 -1.882 995 HB3 TYR 647 2HB TYR 647 -17.303 -2.026 -1.850 996 H LEU 648 H LEU 648 -16.521 1.290 0.244 997 HA LEU 648 HA LEU 648 -16.164 -0.375 2.522 998 HG LEU 648 HG LEU 648 -13.684 2.477 2.204 999 HB2 LEU 648 1HB LEU 648 -15.875 2.576 1.885 1000 HB3 LEU 648 2HB LEU 648 -15.911 2.049 3.533 1001 HD11 LEU 648 1HD1 LEU 648 -12.507 0.869 3.746 1002 HD12 LEU 648 2HD1 LEU 648 -13.719 1.894 4.531 1003 HD13 LEU 648 3HD1 LEU 648 -14.103 0.198 4.163 1004 HD21 LEU 648 3HD2 LEU 648 -14.052 -0.461 1.586 1005 HD22 LEU 648 1HD2 LEU 648 -14.013 0.888 0.414 1006 HD23 LEU 648 2HD2 LEU 648 -12.576 0.497 1.353 1007 H THR 649 H THR 649 -18.794 1.858 1.639 1008 HA THR 649 HA THR 649 -20.501 2.775 2.777 1009 HB THR 649 HB THR 649 -21.163 0.502 2.295 1010 HG1 THR 649 1HG THR 649 -22.756 1.556 3.172 1011 HG21 THR 649 3HG2 THR 649 -19.640 -0.875 3.436 1012 HG22 THR 649 1HG2 THR 649 -19.977 -0.147 4.994 1013 HG23 THR 649 2HG2 THR 649 -21.207 -1.193 4.208 1014 H SER 650 H SER 650 -17.954 3.227 4.156 1015 HA SER 650 HA SER 650 -16.924 3.857 5.974 1016 HG SER 650 HG SER 650 -20.231 3.413 6.978 1017 HB2 SER 650 1HB SER 650 -17.882 4.512 8.043 1018 HB3 SER 650 2HB SER 650 -18.741 5.253 6.686 1019 H SER 651 H SER 651 -15.496 2.511 6.595 1020 HA SER 651 HA SER 651 -15.867 -0.279 7.232 1021 HG SER 651 HG SER 651 -13.501 -0.138 9.152 1022 HB2 SER 651 1HB SER 651 -13.702 0.629 6.427 1023 HB3 SER 651 2HB SER 651 -13.601 1.696 7.841 Start of MODEL 18 1 H1 GLY -4 H GLY -4 -1.256 15.659 1.974 2 HA2 GLY -4 1HA GLY -4 -3.258 17.842 2.171 3 HA3 GLY -4 2HA GLY -4 -3.624 16.224 1.530 4 H SER -3 H SER -3 -5.300 16.105 3.250 5 HA SER -3 HA SER -3 -4.207 15.300 5.907 6 HG SER -3 HG SER -3 -5.230 18.761 5.983 7 HB2 SER -3 1HB SER -3 -6.533 17.179 5.355 8 HB3 SER -3 2HB SER -3 -6.010 16.637 6.945 9 H HIS -2 H HIS -2 -5.987 14.317 7.292 10 HA HIS -2 HA HIS -2 -7.213 12.553 7.779 11 HD1 HIS -2 1HD HIS -2 -11.019 14.591 5.980 12 HD2 HIS -2 2HD HIS -2 -9.161 12.492 9.152 13 HE1 HIS -2 1HE HIS -2 -12.402 15.031 8.065 14 HE2 HIS -2 2HE HIS -2 -11.324 13.684 9.964 15 HB2 HIS -2 1HB HIS -2 -8.731 13.450 5.343 16 HB3 HIS -2 2HB HIS -2 -9.114 11.899 6.018 17 H MET -1 H MET -1 -8.058 10.283 6.827 18 HA MET -1 HA MET -1 -6.039 9.069 5.080 19 HB2 MET -1 1HB MET -1 -7.020 8.168 7.831 20 HB3 MET -1 2HB MET -1 -6.305 7.070 6.663 21 HG2 MET -1 1HG MET -1 -4.610 7.644 8.141 22 HG3 MET -1 2HG MET -1 -4.251 8.480 6.640 23 HE1 MET -1 3HE MET -1 -2.830 8.918 9.486 24 HE2 MET -1 1HE MET -1 -2.356 9.838 8.043 25 HE3 MET -1 2HE MET -1 -2.714 10.689 9.558 26 H GLY 527 H GLY 527 -7.078 7.748 3.568 27 HA2 GLY 527 1HA GLY 527 -9.548 6.525 3.606 28 HA3 GLY 527 2HA GLY 527 -9.824 8.234 3.199 29 H THR 528 H THR 528 -10.494 6.942 1.112 30 HA THR 528 HA THR 528 -8.348 6.092 -0.628 31 HB THR 528 HB THR 528 -11.118 6.929 -1.522 32 HG1 THR 528 1HG THR 528 -10.507 4.495 -0.224 33 HG21 THR 528 3HG2 THR 528 -10.894 5.136 -3.099 34 HG22 THR 528 1HG2 THR 528 -9.383 6.037 -3.164 35 HG23 THR 528 2HG2 THR 528 -9.474 4.481 -2.302 36 H VAL 529 H VAL 529 -7.408 7.262 -2.378 37 HA VAL 529 HA VAL 529 -8.083 10.087 -2.806 38 HB VAL 529 HB VAL 529 -5.797 10.804 -2.445 39 HG11 VAL 529 1HG1 VAL 529 -7.307 10.886 -0.491 40 HG12 VAL 529 2HG1 VAL 529 -6.663 9.325 0.061 41 HG13 VAL 529 3HG1 VAL 529 -5.607 10.735 -0.042 42 HG21 VAL 529 3HG2 VAL 529 -5.158 7.941 -1.660 43 HG22 VAL 529 1HG2 VAL 529 -4.465 8.876 -2.999 44 HG23 VAL 529 2HG2 VAL 529 -4.094 9.325 -1.336 45 H SER 530 H SER 530 -6.452 10.892 -4.623 46 HA SER 530 HA SER 530 -5.514 8.696 -6.371 47 HG SER 530 HG SER 530 -7.145 11.978 -7.375 48 HB2 SER 530 1HB SER 530 -6.282 10.182 -8.341 49 HB3 SER 530 2HB SER 530 -7.462 9.173 -7.507 50 H TRP 531 H TRP 531 -3.595 9.199 -5.120 51 HA TRP 531 HA TRP 531 -2.214 11.773 -5.799 52 HD1 TRP 531 HD TRP 531 -3.738 12.553 -4.086 53 HE1 TRP 531 1HE TRP 531 -4.620 13.109 -1.769 54 HE3 TRP 531 3HE TRP 531 -0.449 9.787 -1.297 55 HZ2 TRP 531 2HZ TRP 531 -4.018 12.419 0.950 56 HZ3 TRP 531 3HZ TRP 531 -0.543 9.876 1.154 57 HH2 TRP 531 HH TRP 531 -2.388 11.083 2.311 58 HB2 TRP 531 1HB TRP 531 -1.531 9.545 -3.854 59 HB3 TRP 531 2HB TRP 531 -0.561 10.979 -4.131 60 H ASN 532 H ASN 532 0.156 11.406 -6.356 61 HA ASN 532 HA ASN 532 0.462 9.166 -8.282 62 HB2 ASN 532 1HB ASN 532 2.530 11.178 -7.271 63 HB3 ASN 532 2HB ASN 532 2.732 10.034 -8.609 64 HD21 ASN 532 1HD2 ASN 532 2.667 13.167 -8.327 65 HD22 ASN 532 2HD2 ASN 532 1.309 13.630 -9.333 66 H LEU 533 H LEU 533 2.039 7.536 -7.848 67 HA LEU 533 HA LEU 533 2.769 6.543 -5.332 68 HG LEU 533 HG LEU 533 5.426 4.638 -7.297 69 HB2 LEU 533 1HB LEU 533 3.259 5.411 -7.384 70 HB3 LEU 533 2HB LEU 533 4.263 6.715 -7.980 71 HD11 LEU 533 1HD1 LEU 533 6.492 6.988 -5.712 72 HD12 LEU 533 2HD1 LEU 533 7.371 5.629 -6.399 73 HD13 LEU 533 3HD1 LEU 533 6.624 6.817 -7.479 74 HD21 LEU 533 3HD2 LEU 533 5.901 4.119 -4.978 75 HD22 LEU 533 1HD2 LEU 533 4.873 5.450 -4.420 76 HD23 LEU 533 2HD2 LEU 533 4.167 4.072 -5.289 77 H ARG 534 H ARG 534 4.068 9.392 -7.092 78 HA ARG 534 HA ARG 534 6.392 9.633 -5.374 79 HE ARG 534 HE ARG 534 8.198 9.738 -10.453 80 HB2 ARG 534 1HB ARG 534 5.089 11.436 -7.434 81 HB3 ARG 534 2HB ARG 534 6.625 11.830 -6.638 82 HG2 ARG 534 1HG ARG 534 7.730 9.955 -7.649 83 HG3 ARG 534 2HG ARG 534 6.202 9.212 -8.144 84 HD2 ARG 534 1HD ARG 534 5.807 11.283 -9.617 85 HD3 ARG 534 2HD ARG 534 7.494 11.677 -9.326 86 HH11 ARG 534 2HH2 ARG 534 4.695 10.149 -10.702 87 HH12 ARG 534 1HH2 ARG 534 4.469 8.966 -11.929 88 HH21 ARG 534 2HH1 ARG 534 7.970 8.308 -12.224 89 HH22 ARG 534 1HH1 ARG 534 6.406 7.900 -12.827 90 H GLU 535 H GLU 535 3.082 11.071 -5.307 91 HA GLU 535 HA GLU 535 3.792 12.942 -3.228 92 HB2 GLU 535 1HB GLU 535 1.303 12.096 -4.648 93 HB3 GLU 535 2HB GLU 535 1.114 12.613 -2.975 94 HG2 GLU 535 1HG GLU 535 2.738 14.631 -3.894 95 HG3 GLU 535 2HG GLU 535 1.896 14.191 -5.379 96 H MET 536 H MET 536 2.265 9.710 -3.382 97 HA MET 536 HA MET 536 1.868 9.297 -0.615 98 HB2 MET 536 1HB MET 536 2.737 7.288 -2.735 99 HB3 MET 536 2HB MET 536 2.101 6.866 -1.149 100 HG2 MET 536 1HG MET 536 -0.068 7.614 -1.673 101 HG3 MET 536 2HG MET 536 0.483 8.635 -2.979 102 HE1 MET 536 3HE MET 536 0.889 4.825 -1.958 103 HE2 MET 536 1HE MET 536 -0.773 5.447 -1.780 104 HE3 MET 536 2HE MET 536 -0.412 4.196 -3.004 105 H LEU 537 H LEU 537 4.776 8.812 -2.581 106 HA LEU 537 HA LEU 537 6.446 7.600 -0.687 107 HG LEU 537 HG LEU 537 9.150 8.168 -1.510 108 HB2 LEU 537 1HB LEU 537 6.701 8.131 -3.279 109 HB3 LEU 537 2HB LEU 537 7.528 9.571 -2.729 110 HD11 LEU 537 1HD1 LEU 537 7.861 6.090 -1.149 111 HD12 LEU 537 2HD1 LEU 537 7.684 5.852 -2.896 112 HD13 LEU 537 3HD1 LEU 537 9.283 5.729 -2.099 113 HD21 LEU 537 3HD2 LEU 537 10.292 7.447 -3.608 114 HD22 LEU 537 1HD2 LEU 537 8.754 7.584 -4.498 115 HD23 LEU 537 2HD2 LEU 537 9.539 9.018 -3.799 116 H ALA 538 H ALA 538 6.338 11.030 -1.597 117 HA ALA 538 HA ALA 538 8.057 12.004 0.432 118 HB1 ALA 538 1HB ALA 538 5.763 13.410 -1.000 119 HB2 ALA 538 2HB ALA 538 7.062 14.196 -0.066 120 HB3 ALA 538 3HB ALA 538 7.459 13.294 -1.545 121 H HIS 539 H HIS 539 4.478 11.664 0.416 122 HA HIS 539 HA HIS 539 3.995 12.856 2.928 123 HD1 HIS 539 1HD HIS 539 1.146 13.749 3.252 124 HD2 HIS 539 2HD HIS 539 0.859 9.488 3.227 125 HE1 HIS 539 1HE HIS 539 -0.752 13.163 4.810 126 HE2 HIS 539 2HE HIS 539 -1.002 10.628 4.809 127 HB2 HIS 539 1HB HIS 539 2.256 12.154 1.143 128 HB3 HIS 539 2HB HIS 539 2.550 10.493 1.573 129 H ALA 540 H ALA 540 4.683 9.382 2.159 130 HA ALA 540 HA ALA 540 4.668 8.489 4.894 131 HB1 ALA 540 1HB ALA 540 6.172 7.377 2.477 132 HB2 ALA 540 2HB ALA 540 5.891 6.542 4.015 133 HB3 ALA 540 3HB ALA 540 4.517 6.928 2.957 134 H GLU 541 H GLU 541 7.400 9.618 2.754 135 HA GLU 541 HA GLU 541 9.444 9.361 4.448 136 HB2 GLU 541 1HB GLU 541 8.932 10.669 2.002 137 HB3 GLU 541 2HB GLU 541 9.489 11.959 3.058 138 HG2 GLU 541 1HG GLU 541 11.327 10.134 3.673 139 HG3 GLU 541 2HG GLU 541 10.908 9.490 2.090 140 H GLU 542 H GLU 542 7.334 12.283 4.284 141 HA GLU 542 HA GLU 542 8.690 13.624 6.360 142 HB2 GLU 542 1HB GLU 542 7.048 14.628 4.596 143 HB3 GLU 542 2HB GLU 542 5.754 14.095 5.649 144 HG2 GLU 542 1HG GLU 542 6.569 15.368 7.537 145 HG3 GLU 542 2HG GLU 542 8.098 15.723 6.743 146 H THR 543 H THR 543 5.852 11.515 6.436 147 HA THR 543 HA THR 543 5.325 12.180 9.266 148 HB THR 543 HB THR 543 3.306 10.802 8.935 149 HG1 THR 543 1HG THR 543 4.150 10.716 6.217 150 HG21 THR 543 3HG2 THR 543 2.164 12.310 7.372 151 HG22 THR 543 1HG2 THR 543 3.260 13.235 8.426 152 HG23 THR 543 2HG2 THR 543 3.708 12.898 6.744 153 H ARG 544 H ARG 544 7.197 9.863 7.619 154 HA ARG 544 HA ARG 544 8.314 8.042 8.195 155 HE ARG 544 HE ARG 544 11.239 11.140 10.992 156 HB2 ARG 544 1HB ARG 544 7.860 8.899 11.068 157 HB3 ARG 544 2HB ARG 544 8.790 7.489 10.596 158 HG2 ARG 544 1HG ARG 544 10.305 9.226 11.046 159 HG3 ARG 544 2HG ARG 544 10.378 8.891 9.320 160 HD2 ARG 544 1HD ARG 544 9.459 10.954 8.754 161 HD3 ARG 544 2HD ARG 544 8.555 11.076 10.263 162 HH11 ARG 544 2HH2 ARG 544 9.196 13.301 9.026 163 HH12 ARG 544 1HH2 ARG 544 10.252 14.666 9.241 164 HH21 ARG 544 2HH1 ARG 544 12.514 12.909 11.316 165 HH22 ARG 544 1HH1 ARG 544 12.120 14.477 10.695 166 H LYS 545 H LYS 545 5.505 8.011 7.595 167 HA LYS 545 HA LYS 545 4.297 5.885 9.284 168 HB2 LYS 545 1HB LYS 545 3.341 7.506 6.901 169 HB3 LYS 545 2HB LYS 545 2.431 6.139 7.521 170 HG2 LYS 545 1HG LYS 545 2.364 7.166 9.772 171 HG3 LYS 545 2HG LYS 545 3.232 8.569 9.171 172 HD2 LYS 545 1HD LYS 545 1.372 9.338 7.915 173 HD3 LYS 545 2HD LYS 545 0.618 7.733 7.886 174 HE2 LYS 545 1HE LYS 545 -0.665 9.060 9.396 175 HE3 LYS 545 2HE LYS 545 0.298 7.937 10.380 176 HZ1 LYS 545 3HZ LYS 545 0.899 10.810 9.989 177 HZ2 LYS 545 1HZ LYS 545 0.356 10.067 11.347 178 HZ3 LYS 545 2HZ LYS 545 1.839 9.728 10.809 179 H LEU 546 H LEU 546 3.655 3.874 8.393 180 HA LEU 546 HA LEU 546 5.758 2.707 6.821 181 HG LEU 546 HG LEU 546 4.295 0.020 6.213 182 HB2 LEU 546 1HB LEU 546 4.575 1.648 8.779 183 HB3 LEU 546 2HB LEU 546 3.113 1.551 7.804 184 HD11 LEU 546 1HD1 LEU 546 6.621 0.697 6.504 185 HD12 LEU 546 2HD1 LEU 546 6.586 0.292 8.224 186 HD13 LEU 546 3HD1 LEU 546 6.486 -0.978 6.995 187 HD21 LEU 546 3HD2 LEU 546 4.436 -0.874 9.122 188 HD22 LEU 546 1HD2 LEU 546 2.974 -0.884 8.114 189 HD23 LEU 546 2HD2 LEU 546 4.342 -1.932 7.700 190 H MET 547 H MET 547 5.712 1.960 4.715 191 HA MET 547 HA MET 547 3.209 2.265 3.131 192 HB2 MET 547 1HB MET 547 4.905 3.999 2.572 193 HB3 MET 547 2HB MET 547 6.068 2.722 2.167 194 HG2 MET 547 1HG MET 547 4.359 1.826 0.521 195 HG3 MET 547 2HG MET 547 3.381 3.238 0.837 196 HE1 MET 547 3HE MET 547 3.626 5.432 0.041 197 HE2 MET 547 1HE MET 547 5.206 5.810 0.766 198 HE3 MET 547 2HE MET 547 4.928 6.083 -0.973 199 HA PRO 548 HA PRO 548 4.476 -2.075 2.563 200 HB2 PRO 548 1HB PRO 548 2.008 -3.206 2.125 201 HB3 PRO 548 2HB PRO 548 2.669 -2.865 3.751 202 HG2 PRO 548 1HG PRO 548 0.799 -1.163 2.128 203 HG3 PRO 548 2HG PRO 548 0.630 -1.656 3.846 204 HD2 PRO 548 1HD PRO 548 1.651 0.786 3.148 205 HD3 PRO 548 2HD PRO 548 2.317 -0.131 4.530 206 H ILE 549 H ILE 549 4.846 -3.189 0.646 207 HA ILE 549 HA ILE 549 3.896 -2.082 -1.944 208 HB ILE 549 HB ILE 549 6.787 -2.697 -1.063 209 HG12 ILE 549 1HG1 ILE 549 7.387 -0.563 -2.005 210 HG13 ILE 549 2HG1 ILE 549 5.711 -0.152 -2.358 211 HG21 ILE 549 1HG2 ILE 549 5.672 -2.333 -3.862 212 HG22 ILE 549 2HG2 ILE 549 7.393 -2.198 -3.470 213 HG23 ILE 549 3HG2 ILE 549 6.581 -3.714 -3.216 214 HD11 ILE 549 3HD1 ILE 549 6.894 -0.615 0.380 215 HD12 ILE 549 1HD1 ILE 549 6.606 0.968 -0.461 216 HD13 ILE 549 2HD1 ILE 549 5.256 -0.015 -0.013 217 H CYS 550 H CYS 550 3.472 -3.781 -3.444 218 HA CYS 550 HA CYS 550 3.899 -6.588 -2.581 219 HG CYS 550 HG CYS 550 2.889 -8.364 -3.556 220 HB2 CYS 550 1HB CYS 550 2.172 -5.288 -4.533 221 HB3 CYS 550 2HB CYS 550 3.262 -6.361 -5.390 222 H MET 551 H MET 551 6.033 -7.372 -2.827 223 HA MET 551 HA MET 551 7.897 -6.003 -4.583 224 HB2 MET 551 1HB MET 551 9.491 -7.765 -4.095 225 HB3 MET 551 2HB MET 551 8.770 -6.960 -2.697 226 HG2 MET 551 1HG MET 551 7.729 -8.850 -1.968 227 HG3 MET 551 2HG MET 551 7.292 -9.211 -3.630 228 HE1 MET 551 3HE MET 551 11.211 -8.830 -2.477 229 HE2 MET 551 1HE MET 551 10.175 -9.064 -1.055 230 HE3 MET 551 2HE MET 551 11.326 -10.322 -1.537 231 H ASP 552 H ASP 552 5.504 -7.972 -5.190 232 HA ASP 552 HA ASP 552 6.470 -9.857 -7.097 233 HB2 ASP 552 1HB ASP 552 4.378 -9.928 -5.652 234 HB3 ASP 552 2HB ASP 552 3.643 -8.792 -6.767 235 H VAL 553 H VAL 553 5.689 -6.375 -7.542 236 HA VAL 553 HA VAL 553 4.911 -6.792 -10.335 237 HB VAL 553 HB VAL 553 4.601 -4.220 -9.647 238 HG11 VAL 553 1HG1 VAL 553 2.886 -5.673 -10.656 239 HG12 VAL 553 2HG1 VAL 553 2.548 -6.252 -8.991 240 HG13 VAL 553 3HG1 VAL 553 2.242 -4.566 -9.415 241 HG21 VAL 553 3HG2 VAL 553 5.448 -4.412 -7.561 242 HG22 VAL 553 1HG2 VAL 553 3.800 -3.737 -7.590 243 HG23 VAL 553 2HG2 VAL 553 4.062 -5.435 -7.060 244 H ARG 554 H ARG 554 6.616 -6.789 -11.355 245 HA ARG 554 HA ARG 554 9.123 -5.425 -10.953 246 HE ARG 554 HE ARG 554 10.424 -9.531 -15.047 247 HB2 ARG 554 1HB ARG 554 7.968 -5.974 -13.719 248 HB3 ARG 554 2HB ARG 554 9.622 -5.537 -13.325 249 HG2 ARG 554 1HG ARG 554 9.364 -7.820 -11.804 250 HG3 ARG 554 2HG ARG 554 8.243 -8.173 -13.141 251 HD2 ARG 554 1HD ARG 554 10.153 -7.365 -14.705 252 HD3 ARG 554 2HD ARG 554 11.210 -7.466 -13.295 253 HH11 ARG 554 2HH2 ARG 554 10.871 -9.249 -11.498 254 HH12 ARG 554 1HH2 ARG 554 11.466 -10.874 -11.363 255 HH21 ARG 554 2HH1 ARG 554 11.293 -11.485 -14.860 256 HH22 ARG 554 1HH1 ARG 554 11.943 -12.096 -13.385 257 H ALA 555 H ALA 555 6.060 -4.293 -12.204 258 HA ALA 555 HA ALA 555 6.614 -1.787 -13.173 259 HB1 ALA 555 1HB ALA 555 4.303 -2.563 -11.361 260 HB2 ALA 555 2HB ALA 555 4.371 -1.147 -12.440 261 HB3 ALA 555 3HB ALA 555 4.376 -2.782 -13.120 262 H ILE 556 H ILE 556 5.795 -2.354 -9.763 263 HA ILE 556 HA ILE 556 6.608 0.364 -9.024 264 HB ILE 556 HB ILE 556 5.304 -2.032 -7.713 265 HG12 ILE 556 1HG1 ILE 556 4.397 0.862 -8.103 266 HG13 ILE 556 2HG1 ILE 556 4.039 -0.449 -9.224 267 HG21 ILE 556 1HG2 ILE 556 6.705 -1.223 -5.954 268 HG22 ILE 556 2HG2 ILE 556 6.140 0.456 -6.207 269 HG23 ILE 556 3HG2 ILE 556 5.040 -0.815 -5.615 270 HD11 ILE 556 3HD1 ILE 556 2.103 -0.118 -7.893 271 HD12 ILE 556 1HD1 ILE 556 2.825 -1.649 -7.376 272 HD13 ILE 556 2HD1 ILE 556 3.024 -0.183 -6.381 273 H MET 557 H MET 557 7.974 -2.955 -8.705 274 HA MET 557 HA MET 557 10.082 -2.123 -6.970 275 HB2 MET 557 1HB MET 557 9.914 -4.463 -8.930 276 HB3 MET 557 2HB MET 557 11.195 -4.231 -7.739 277 HG2 MET 557 1HG MET 557 8.247 -4.738 -7.212 278 HG3 MET 557 2HG MET 557 9.628 -5.727 -6.772 279 HE1 MET 557 3HE MET 557 11.377 -5.107 -5.152 280 HE2 MET 557 1HE MET 557 11.633 -3.371 -5.439 281 HE3 MET 557 2HE MET 557 11.204 -3.956 -3.814 282 H ALA 558 H ALA 558 9.860 -1.983 -10.566 283 HA ALA 558 HA ALA 558 12.575 -1.155 -10.942 284 HB1 ALA 558 1HB ALA 558 10.068 -0.497 -12.525 285 HB2 ALA 558 2HB ALA 558 11.739 -0.137 -13.013 286 HB3 ALA 558 3HB ALA 558 11.236 -1.819 -12.817 287 H THR 559 H THR 559 9.578 0.764 -10.409 288 HA THR 559 HA THR 559 10.701 3.325 -10.409 289 HB THR 559 HB THR 559 8.350 1.984 -9.028 290 HG1 THR 559 1HG THR 559 7.243 2.720 -10.668 291 HG21 THR 559 3HG2 THR 559 7.311 4.163 -8.694 292 HG22 THR 559 1HG2 THR 559 8.695 3.890 -7.637 293 HG23 THR 559 2HG2 THR 559 8.862 4.963 -9.058 294 H ILE 560 H ILE 560 10.225 1.167 -7.546 295 HA ILE 560 HA ILE 560 11.439 3.015 -5.747 296 HB ILE 560 HB ILE 560 10.813 0.043 -5.629 297 HG12 ILE 560 1HG1 ILE 560 9.507 2.453 -4.259 298 HG13 ILE 560 2HG1 ILE 560 8.963 1.844 -5.821 299 HG21 ILE 560 1HG2 ILE 560 11.143 0.164 -3.166 300 HG22 ILE 560 2HG2 ILE 560 12.654 0.506 -3.988 301 HG23 ILE 560 3HG2 ILE 560 11.704 1.835 -3.288 302 HD11 ILE 560 3HD1 ILE 560 8.918 0.335 -3.218 303 HD12 ILE 560 1HD1 ILE 560 7.542 0.956 -4.155 304 HD13 ILE 560 2HD1 ILE 560 8.529 -0.370 -4.807 305 H GLN 561 H GLN 561 12.849 -0.022 -7.311 306 HA GLN 561 HA GLN 561 15.376 0.486 -6.025 307 HB2 GLN 561 1HB GLN 561 14.608 -1.348 -8.309 308 HB3 GLN 561 2HB GLN 561 16.228 -1.261 -7.621 309 HG2 GLN 561 1HG GLN 561 15.224 -1.695 -5.361 310 HG3 GLN 561 2HG GLN 561 13.728 -2.176 -6.141 311 HE21 GLN 561 1HE2 GLN 561 14.422 -3.844 -8.308 312 HE22 GLN 561 2HE2 GLN 561 15.532 -5.064 -7.724 313 H ARG 562 H ARG 562 14.032 1.903 -8.870 314 HA ARG 562 HA ARG 562 16.611 2.783 -9.940 315 HE ARG 562 HE ARG 562 14.588 5.073 -14.072 316 HB2 ARG 562 1HB ARG 562 13.787 3.883 -10.195 317 HB3 ARG 562 2HB ARG 562 15.191 4.767 -10.818 318 HG2 ARG 562 1HG ARG 562 15.832 2.880 -12.233 319 HG3 ARG 562 2HG ARG 562 14.530 1.897 -11.602 320 HD2 ARG 562 1HD ARG 562 13.248 2.617 -13.295 321 HD3 ARG 562 2HD ARG 562 13.175 4.180 -12.495 322 HH11 ARG 562 2HH2 ARG 562 14.407 1.590 -14.721 323 HH12 ARG 562 1HH2 ARG 562 15.708 1.611 -15.855 324 HH21 ARG 562 2HH1 ARG 562 16.116 5.084 -15.838 325 HH22 ARG 562 1HH1 ARG 562 16.820 3.573 -16.308 326 H LYS 563 H LYS 563 14.284 4.204 -7.544 327 HA LYS 563 HA LYS 563 16.104 6.354 -6.882 328 HB2 LYS 563 1HB LYS 563 13.479 6.287 -6.721 329 HB3 LYS 563 2HB LYS 563 13.686 5.405 -5.268 330 HG2 LYS 563 1HG LYS 563 14.970 7.155 -4.267 331 HG3 LYS 563 2HG LYS 563 15.036 8.099 -5.772 332 HD2 LYS 563 1HD LYS 563 12.630 8.496 -5.669 333 HD3 LYS 563 2HD LYS 563 12.483 7.407 -4.327 334 HE2 LYS 563 1HE LYS 563 12.324 9.564 -3.366 335 HE3 LYS 563 2HE LYS 563 13.920 8.954 -2.959 336 HZ1 LYS 563 3HZ LYS 563 14.851 10.322 -4.737 337 HZ2 LYS 563 1HZ LYS 563 13.370 10.927 -5.119 338 HZ3 LYS 563 2HZ LYS 563 14.032 11.232 -3.669 339 H TYR 564 H TYR 564 14.814 3.728 -4.845 340 HA TYR 564 HA TYR 564 17.033 4.029 -2.925 341 HD1 TYR 564 1HD TYR 564 13.010 4.038 -3.812 342 HD2 TYR 564 2HD TYR 564 15.157 4.731 -0.083 343 HE1 TYR 564 1HE TYR 564 11.352 5.703 -3.112 344 HE2 TYR 564 2HE TYR 564 13.565 6.505 0.481 345 HH TYR 564 HH TYR 564 11.888 7.941 -0.425 346 HB2 TYR 564 1HB TYR 564 14.495 2.315 -2.802 347 HB3 TYR 564 2HB TYR 564 15.588 2.679 -1.486 348 H LYS 565 H LYS 565 18.628 3.006 -4.656 349 HA LYS 565 HA LYS 565 17.965 0.259 -5.318 350 HB2 LYS 565 1HB LYS 565 19.030 1.994 -6.923 351 HB3 LYS 565 2HB LYS 565 20.489 1.915 -5.916 352 HG2 LYS 565 1HG LYS 565 20.613 -0.446 -6.207 353 HG3 LYS 565 2HG LYS 565 19.123 -0.524 -7.129 354 HD2 LYS 565 1HD LYS 565 20.645 -0.689 -8.821 355 HD3 LYS 565 2HD LYS 565 20.490 1.077 -8.788 356 HE2 LYS 565 1HE LYS 565 22.522 1.249 -7.434 357 HE3 LYS 565 2HE LYS 565 22.569 -0.506 -7.193 358 HZ1 LYS 565 3HZ LYS 565 22.980 -0.784 -9.519 359 HZ2 LYS 565 1HZ LYS 565 22.926 0.873 -9.765 360 HZ3 LYS 565 2HZ LYS 565 24.128 0.187 -8.876 361 H GLY 566 H GLY 566 20.264 1.961 -3.163 362 HA2 GLY 566 1HA GLY 566 22.062 -0.101 -2.895 363 HA3 GLY 566 2HA GLY 566 21.774 1.111 -1.623 364 H ILE 567 H ILE 567 18.952 0.152 -1.353 365 HA ILE 567 HA ILE 567 19.274 -1.826 0.669 366 HB ILE 567 HB ILE 567 17.684 -0.220 0.933 367 HG12 ILE 567 1HG1 ILE 567 17.001 -2.675 1.444 368 HG13 ILE 567 2HG1 ILE 567 15.926 -1.303 1.660 369 HG21 ILE 567 1HG2 ILE 567 16.413 -0.791 -1.763 370 HG22 ILE 567 2HG2 ILE 567 15.650 0.163 -0.475 371 HG23 ILE 567 3HG2 ILE 567 17.171 0.710 -1.216 372 HD11 ILE 567 3HD1 ILE 567 14.668 -1.774 -0.313 373 HD12 ILE 567 1HD1 ILE 567 15.892 -2.889 -0.929 374 HD13 ILE 567 2HD1 ILE 567 14.887 -3.340 0.479 375 H LYS 568 H LYS 568 18.510 -3.933 0.712 376 HA LYS 568 HA LYS 568 18.523 -5.442 -1.857 377 HB2 LYS 568 1HB LYS 568 18.734 -6.650 0.913 378 HB3 LYS 568 2HB LYS 568 19.186 -7.329 -0.645 379 HG2 LYS 568 1HG LYS 568 21.293 -6.845 0.128 380 HG3 LYS 568 2HG LYS 568 20.947 -5.299 -0.634 381 HD2 LYS 568 1HD LYS 568 19.904 -4.836 1.875 382 HD3 LYS 568 2HD LYS 568 21.091 -6.072 2.269 383 HE2 LYS 568 1HE LYS 568 22.817 -4.628 1.029 384 HE3 LYS 568 2HE LYS 568 21.563 -3.380 0.908 385 HZ1 LYS 568 3HZ LYS 568 22.747 -2.860 2.807 386 HZ2 LYS 568 1HZ LYS 568 21.447 -3.653 3.448 387 HZ3 LYS 568 2HZ LYS 568 22.887 -4.430 3.300 388 H ILE 569 H ILE 569 16.433 -6.248 -2.430 389 HA ILE 569 HA ILE 569 14.251 -5.335 -0.690 390 HB ILE 569 HB ILE 569 14.184 -6.971 -3.236 391 HG12 ILE 569 1HG1 ILE 569 15.232 -4.868 -3.723 392 HG13 ILE 569 2HG1 ILE 569 13.636 -4.872 -4.414 393 HG21 ILE 569 1HG2 ILE 569 11.835 -6.403 -3.379 394 HG22 ILE 569 2HG2 ILE 569 12.103 -7.033 -1.761 395 HG23 ILE 569 3HG2 ILE 569 11.946 -5.296 -1.985 396 HD11 ILE 569 3HD1 ILE 569 14.750 -2.828 -2.932 397 HD12 ILE 569 1HD1 ILE 569 13.030 -3.010 -3.243 398 HD13 ILE 569 2HD1 ILE 569 13.706 -3.612 -1.726 399 H GLN 570 H GLN 570 13.080 -6.557 0.667 400 HA GLN 570 HA GLN 570 13.699 -9.415 1.031 401 HB2 GLN 570 1HB GLN 570 13.510 -7.244 3.130 402 HB3 GLN 570 2HB GLN 570 13.624 -8.954 3.510 403 HG2 GLN 570 1HG GLN 570 15.864 -8.974 3.268 404 HG3 GLN 570 2HG GLN 570 15.830 -8.006 1.822 405 HE21 GLN 570 1HE2 GLN 570 15.690 -5.598 2.199 406 HE22 GLN 570 2HE2 GLN 570 16.125 -4.860 3.708 407 H GLU 571 H GLU 571 11.958 -10.531 1.587 408 HA GLU 571 HA GLU 571 9.320 -9.319 1.431 409 HB2 GLU 571 1HB GLU 571 10.568 -12.023 1.601 410 HB3 GLU 571 2HB GLU 571 9.115 -11.848 2.551 411 HG2 GLU 571 1HG GLU 571 7.778 -11.331 0.633 412 HG3 GLU 571 2HG GLU 571 9.201 -11.034 -0.348 413 H GLY 572 H GLY 572 9.135 -7.776 3.101 414 HA2 GLY 572 1HA GLY 572 8.441 -8.192 5.585 415 HA3 GLY 572 2HA GLY 572 10.174 -8.428 5.790 416 H ILE 573 H ILE 573 9.769 -6.695 7.334 417 HA ILE 573 HA ILE 573 9.310 -3.972 6.491 418 HB ILE 573 HB ILE 573 10.384 -5.357 8.954 419 HG12 ILE 573 1HG1 ILE 573 7.944 -5.236 8.537 420 HG13 ILE 573 2HG1 ILE 573 8.435 -4.510 10.036 421 HG21 ILE 573 1HG2 ILE 573 10.473 -2.342 8.604 422 HG22 ILE 573 2HG2 ILE 573 10.576 -3.197 10.156 423 HG23 ILE 573 3HG2 ILE 573 11.825 -3.446 8.944 424 HD11 ILE 573 3HD1 ILE 573 6.701 -3.166 8.938 425 HD12 ILE 573 1HD1 ILE 573 8.199 -2.232 9.040 426 HD13 ILE 573 2HD1 ILE 573 7.715 -2.971 7.502 427 H VAL 574 H VAL 574 10.629 -2.577 5.628 428 HA VAL 574 HA VAL 574 13.551 -2.985 5.744 429 HB VAL 574 HB VAL 574 11.869 -2.463 3.273 430 HG11 VAL 574 1HG1 VAL 574 13.900 -2.042 2.053 431 HG12 VAL 574 2HG1 VAL 574 13.854 -0.918 3.372 432 HG13 VAL 574 3HG1 VAL 574 14.904 -2.347 3.499 433 HG21 VAL 574 3HG2 VAL 574 13.761 -4.714 4.106 434 HG22 VAL 574 1HG2 VAL 574 12.072 -4.834 3.637 435 HG23 VAL 574 2HG2 VAL 574 13.293 -4.450 2.422 436 H ASP 575 H ASP 575 14.058 -1.355 7.082 437 HA ASP 575 HA ASP 575 12.709 1.302 7.009 438 HB2 ASP 575 1HB ASP 575 13.324 0.328 9.196 439 HB3 ASP 575 2HB ASP 575 15.017 0.257 8.707 440 H TYR 576 H TYR 576 13.314 2.085 4.885 441 HA TYR 576 HA TYR 576 16.163 2.777 4.676 442 HD1 TYR 576 1HD TYR 576 18.277 1.232 3.883 443 HD2 TYR 576 2HD TYR 576 15.717 2.400 0.653 444 HE1 TYR 576 1HE TYR 576 20.267 1.945 2.586 445 HE2 TYR 576 2HE TYR 576 17.717 3.218 -0.649 446 HH TYR 576 HH TYR 576 20.111 3.753 -0.378 447 HB2 TYR 576 1HB TYR 576 15.912 0.475 3.688 448 HB3 TYR 576 2HB TYR 576 14.830 1.163 2.479 449 H GLY 577 H GLY 577 15.343 4.877 5.005 450 HA2 GLY 577 1HA GLY 577 15.055 6.958 4.003 451 HA3 GLY 577 2HA GLY 577 14.677 6.176 2.477 452 H VAL 578 H VAL 578 12.604 4.777 2.675 453 HA VAL 578 HA VAL 578 10.408 6.190 4.126 454 HB VAL 578 HB VAL 578 10.581 4.774 1.441 455 HG11 VAL 578 1HG1 VAL 578 8.617 3.780 2.500 456 HG12 VAL 578 2HG1 VAL 578 7.983 5.403 2.882 457 HG13 VAL 578 3HG1 VAL 578 8.186 4.878 1.185 458 HG21 VAL 578 3HG2 VAL 578 9.478 6.821 0.641 459 HG22 VAL 578 1HG2 VAL 578 9.361 7.436 2.303 460 HG23 VAL 578 2HG2 VAL 578 10.947 7.225 1.540 461 H ARG 579 H ARG 579 9.092 4.780 5.309 462 HA ARG 579 HA ARG 579 10.403 2.318 6.285 463 HE ARG 579 HE ARG 579 10.401 6.377 7.196 464 HB2 ARG 579 1HB ARG 579 7.938 3.939 7.012 465 HB3 ARG 579 2HB ARG 579 8.093 2.251 7.512 466 HG2 ARG 579 1HG ARG 579 8.979 3.137 9.352 467 HG3 ARG 579 2HG ARG 579 10.461 3.029 8.442 468 HD2 ARG 579 1HD ARG 579 8.713 5.533 8.497 469 HD3 ARG 579 2HD ARG 579 9.900 5.200 9.747 470 HH11 ARG 579 2HH2 ARG 579 11.930 4.379 9.712 471 HH12 ARG 579 1HH2 ARG 579 13.469 4.349 8.953 472 HH21 ARG 579 2HH1 ARG 579 12.561 6.545 6.303 473 HH22 ARG 579 1HH1 ARG 579 13.864 5.750 7.145 474 H PHE 580 H PHE 580 10.349 0.744 4.735 475 HA PHE 580 HA PHE 580 7.931 0.496 3.035 476 HD1 PHE 580 1HD PHE 580 8.007 1.232 0.987 477 HD2 PHE 580 2HD PHE 580 12.251 1.002 1.653 478 HE1 PHE 580 1HE PHE 580 8.339 2.960 -0.716 479 HE2 PHE 580 2HE PHE 580 12.601 2.694 -0.114 480 HZ PHE 580 HZ PHE 580 10.666 3.680 -1.307 481 HB2 PHE 580 1HB PHE 580 10.781 -0.540 2.796 482 HB3 PHE 580 2HB PHE 580 9.480 -1.065 1.749 483 H PHE 581 H PHE 581 6.840 -1.479 2.875 484 HA PHE 581 HA PHE 581 7.867 -3.772 4.400 485 HD1 PHE 581 2HD PHE 581 7.353 -5.042 6.336 486 HD2 PHE 581 1HD PHE 581 3.551 -4.964 4.350 487 HE1 PHE 581 2HE PHE 581 6.947 -7.363 7.078 488 HE2 PHE 581 1HE PHE 581 3.112 -7.321 5.146 489 HZ PHE 581 HZ PHE 581 4.821 -8.508 6.455 490 HB2 PHE 581 1HB PHE 581 6.065 -2.860 5.823 491 HB3 PHE 581 2HB PHE 581 4.932 -2.937 4.492 492 H PHE 582 H PHE 582 8.579 -4.898 2.610 493 HA PHE 582 HA PHE 582 6.885 -4.964 0.218 494 HD1 PHE 582 1HD PHE 582 8.484 -4.299 -2.009 495 HD2 PHE 582 2HD PHE 582 10.956 -4.793 1.476 496 HE1 PHE 582 1HE PHE 582 9.765 -2.251 -2.629 497 HE2 PHE 582 2HE PHE 582 12.239 -2.763 0.845 498 HZ PHE 582 HZ PHE 582 11.640 -1.469 -1.173 499 HB2 PHE 582 1HB PHE 582 9.355 -6.488 0.871 500 HB3 PHE 582 2HB PHE 582 8.568 -6.469 -0.675 501 H TYR 583 H TYR 583 5.513 -6.649 -0.306 502 HA TYR 583 HA TYR 583 5.514 -9.117 1.309 503 HD1 TYR 583 2HD TYR 583 1.700 -8.969 -0.304 504 HD2 TYR 583 1HD TYR 583 3.343 -5.330 1.314 505 HE1 TYR 583 2HE TYR 583 0.188 -7.661 -1.729 506 HE2 TYR 583 1HE TYR 583 1.754 -4.011 -0.058 507 HH TYR 583 HH TYR 583 -0.440 -5.495 -2.455 508 HB2 TYR 583 1HB TYR 583 3.163 -8.985 1.710 509 HB3 TYR 583 2HB TYR 583 3.897 -7.505 2.319 510 H THR 584 H THR 584 3.799 -10.644 0.382 511 HA THR 584 HA THR 584 4.531 -11.128 -2.357 512 HB THR 584 HB THR 584 3.609 -13.458 -1.079 513 HG1 THR 584 1HG THR 584 3.858 -13.178 1.092 514 HG21 THR 584 3HG2 THR 584 6.061 -13.925 -0.847 515 HG22 THR 584 1HG2 THR 584 5.663 -13.182 -2.399 516 HG23 THR 584 2HG2 THR 584 6.389 -12.187 -1.162 517 H SER 585 H SER 585 3.021 -11.336 -3.984 518 HA SER 585 HA SER 585 0.367 -10.302 -3.434 519 HG SER 585 HG SER 585 1.962 -11.448 -6.982 520 HB2 SER 585 1HB SER 585 0.042 -10.460 -5.801 521 HB3 SER 585 2HB SER 585 1.692 -9.894 -5.533 522 H LYS 586 H LYS 586 1.832 -13.433 -3.559 523 HA LYS 586 HA LYS 586 -0.660 -14.954 -3.982 524 HB2 LYS 586 1HB LYS 586 2.217 -15.710 -3.444 525 HB3 LYS 586 2HB LYS 586 0.898 -16.894 -3.392 526 HG2 LYS 586 1HG LYS 586 0.172 -16.259 -5.661 527 HG3 LYS 586 2HG LYS 586 1.499 -15.092 -5.793 528 HD2 LYS 586 1HD LYS 586 2.046 -17.987 -5.096 529 HD3 LYS 586 2HD LYS 586 1.718 -17.532 -6.772 530 HE2 LYS 586 1HE LYS 586 3.607 -16.135 -6.943 531 HE3 LYS 586 2HE LYS 586 3.812 -16.010 -5.190 532 HZ1 LYS 586 3HZ LYS 586 4.158 -18.581 -6.575 533 HZ2 LYS 586 1HZ LYS 586 5.402 -17.513 -6.410 534 HZ3 LYS 586 2HZ LYS 586 4.696 -18.099 -5.072 535 H GLU 587 H GLU 587 0.721 -13.367 -1.253 536 HA GLU 587 HA GLU 587 -0.026 -15.290 0.757 537 HB2 GLU 587 1HB GLU 587 1.640 -13.290 0.780 538 HB3 GLU 587 2HB GLU 587 0.257 -12.272 1.114 539 HG2 GLU 587 1HG GLU 587 0.028 -13.015 3.270 540 HG3 GLU 587 2HG GLU 587 0.371 -14.683 2.843 541 HA PRO 588 HA PRO 588 -4.478 -14.463 0.499 542 HB2 PRO 588 1HB PRO 588 -4.445 -14.636 3.508 543 HB3 PRO 588 2HB PRO 588 -5.547 -15.424 2.344 544 HG2 PRO 588 1HG PRO 588 -3.545 -16.827 3.528 545 HG3 PRO 588 2HG PRO 588 -3.905 -17.031 1.785 546 HD2 PRO 588 1HD PRO 588 -1.729 -15.374 3.060 547 HD3 PRO 588 2HD PRO 588 -1.620 -16.473 1.655 548 H VAL 589 H VAL 589 -5.621 -12.546 0.420 549 HA VAL 589 HA VAL 589 -4.570 -10.109 1.435 550 HB VAL 589 HB VAL 589 -7.539 -10.689 0.961 551 HG11 VAL 589 1HG1 VAL 589 -7.060 -8.532 2.071 552 HG12 VAL 589 2HG1 VAL 589 -5.897 -8.108 0.798 553 HG13 VAL 589 3HG1 VAL 589 -7.626 -8.272 0.420 554 HG21 VAL 589 3HG2 VAL 589 -7.227 -9.888 -1.326 555 HG22 VAL 589 1HG2 VAL 589 -5.493 -9.715 -1.039 556 HG23 VAL 589 2HG2 VAL 589 -6.258 -11.330 -1.070 557 H ALA 590 H ALA 590 -6.808 -12.488 2.880 558 HA ALA 590 HA ALA 590 -7.414 -11.262 5.292 559 HB1 ALA 590 1HB ALA 590 -6.725 -14.216 4.873 560 HB2 ALA 590 2HB ALA 590 -7.744 -13.534 6.161 561 HB3 ALA 590 3HB ALA 590 -8.278 -13.499 4.463 562 H SER 591 H SER 591 -4.486 -13.319 4.664 563 HA SER 591 HA SER 591 -3.541 -12.930 7.350 564 HG SER 591 HG SER 591 -1.866 -14.516 7.715 565 HB2 SER 591 1HB SER 591 -3.002 -14.874 5.788 566 HB3 SER 591 2HB SER 591 -1.883 -13.783 4.949 567 H ILE 592 H ILE 592 -2.638 -11.395 4.161 568 HA ILE 592 HA ILE 592 -0.617 -9.920 5.344 569 HB ILE 592 HB ILE 592 -1.608 -10.517 2.782 570 HG12 ILE 592 1HG1 ILE 592 0.689 -10.597 3.495 571 HG13 ILE 592 2HG1 ILE 592 0.516 -9.678 2.002 572 HG21 ILE 592 1HG2 ILE 592 -1.539 -7.513 3.006 573 HG22 ILE 592 2HG2 ILE 592 -1.551 -8.472 1.513 574 HG23 ILE 592 3HG2 ILE 592 -2.949 -8.532 2.610 575 HD11 ILE 592 3HD1 ILE 592 2.090 -8.680 3.686 576 HD12 ILE 592 1HD1 ILE 592 0.784 -7.571 3.203 577 HD13 ILE 592 2HD1 ILE 592 0.724 -8.406 4.770 578 H ILE 593 H ILE 593 -4.101 -9.131 4.944 579 HA ILE 593 HA ILE 593 -3.803 -6.478 6.040 580 HB ILE 593 HB ILE 593 -6.151 -8.331 5.551 581 HG12 ILE 593 1HG1 ILE 593 -5.269 -5.577 4.545 582 HG13 ILE 593 2HG1 ILE 593 -5.190 -7.098 3.660 583 HG21 ILE 593 1HG2 ILE 593 -6.256 -5.743 7.121 584 HG22 ILE 593 2HG2 ILE 593 -7.670 -6.513 6.367 585 HG23 ILE 593 3HG2 ILE 593 -6.799 -7.375 7.603 586 HD11 ILE 593 3HD1 ILE 593 -7.750 -7.177 3.808 587 HD12 ILE 593 1HD1 ILE 593 -7.665 -5.491 4.369 588 HD13 ILE 593 2HD1 ILE 593 -7.042 -5.916 2.775 589 H THR 594 H THR 594 -4.599 -9.672 7.593 590 HA THR 594 HA THR 594 -4.662 -8.856 10.215 591 HB THR 594 HB THR 594 -3.293 -11.367 9.135 592 HG1 THR 594 1HG THR 594 -5.449 -11.149 8.436 593 HG21 THR 594 3HG2 THR 594 -4.141 -12.325 11.334 594 HG22 THR 594 1HG2 THR 594 -2.752 -11.236 11.450 595 HG23 THR 594 2HG2 THR 594 -4.367 -10.663 11.888 596 H LYS 595 H LYS 595 -1.585 -9.409 8.325 597 HA LYS 595 HA LYS 595 0.104 -8.825 10.531 598 HB2 LYS 595 1HB LYS 595 0.409 -8.790 7.520 599 HB3 LYS 595 2HB LYS 595 1.698 -8.229 8.583 600 HG2 LYS 595 1HG LYS 595 2.189 -10.281 9.412 601 HG3 LYS 595 2HG LYS 595 0.497 -10.777 9.486 602 HD2 LYS 595 1HD LYS 595 0.510 -11.124 7.018 603 HD3 LYS 595 2HD LYS 595 2.276 -10.866 7.024 604 HE2 LYS 595 1HE LYS 595 2.650 -12.673 8.560 605 HE3 LYS 595 2HE LYS 595 0.946 -12.807 8.967 606 HZ1 LYS 595 3HZ LYS 595 1.678 -14.582 7.519 607 HZ2 LYS 595 1HZ LYS 595 0.462 -13.750 6.876 608 HZ3 LYS 595 2HZ LYS 595 1.974 -13.525 6.281 609 H LEU 596 H LEU 596 -1.115 -6.636 7.912 610 HA LEU 596 HA LEU 596 -0.055 -4.278 8.980 611 HG LEU 596 HG LEU 596 -0.542 -5.330 6.246 612 HB2 LEU 596 1HB LEU 596 -2.672 -4.668 7.489 613 HB3 LEU 596 2HB LEU 596 -1.940 -3.105 7.790 614 HD11 LEU 596 1HD1 LEU 596 -2.103 -2.951 5.158 615 HD12 LEU 596 2HD1 LEU 596 -1.136 -4.099 4.206 616 HD13 LEU 596 3HD1 LEU 596 -2.581 -4.657 5.061 617 HD21 LEU 596 3HD2 LEU 596 0.951 -3.583 5.451 618 HD22 LEU 596 1HD2 LEU 596 0.080 -2.355 6.396 619 HD23 LEU 596 2HD2 LEU 596 0.990 -3.621 7.213 620 H ASN 597 H ASN 597 -3.162 -5.754 9.805 621 HA ASN 597 HA ASN 597 -4.111 -3.865 11.697 622 HB2 ASN 597 1HB ASN 597 -4.498 -6.894 11.741 623 HB3 ASN 597 2HB ASN 597 -5.478 -5.713 12.590 624 HD21 ASN 597 1HD2 ASN 597 -6.345 -7.730 10.523 625 HD22 ASN 597 2HD2 ASN 597 -6.982 -6.662 9.275 626 H SER 598 H SER 598 -2.177 -6.753 12.136 627 HA SER 598 HA SER 598 -2.037 -6.740 14.966 628 HG SER 598 HG SER 598 0.191 -7.278 12.186 629 HB2 SER 598 1HB SER 598 -0.178 -8.242 14.843 630 HB3 SER 598 2HB SER 598 -1.266 -8.606 13.505 631 H LEU 599 H LEU 599 0.170 -5.221 12.680 632 HA LEU 599 HA LEU 599 1.904 -3.944 14.573 633 HG LEU 599 HG LEU 599 1.948 -5.554 11.943 634 HB2 LEU 599 1HB LEU 599 1.209 -3.035 11.764 635 HB3 LEU 599 2HB LEU 599 2.694 -2.680 12.631 636 HD11 LEU 599 1HD1 LEU 599 1.850 -4.047 9.904 637 HD12 LEU 599 2HD1 LEU 599 3.587 -3.734 10.162 638 HD13 LEU 599 3HD1 LEU 599 2.975 -5.394 9.911 639 HD21 LEU 599 3HD2 LEU 599 3.752 -5.426 13.474 640 HD22 LEU 599 1HD2 LEU 599 4.400 -5.850 11.892 641 HD23 LEU 599 2HD2 LEU 599 4.599 -4.192 12.487 642 H ASN 600 H ASN 600 -1.113 -3.079 12.985 643 HA ASN 600 HA ASN 600 -2.567 -1.414 13.075 644 HB2 ASN 600 1HB ASN 600 -2.665 -2.085 15.447 645 HB3 ASN 600 2HB ASN 600 -1.464 -0.834 15.831 646 HD21 ASN 600 1HD2 ASN 600 -2.436 0.979 16.666 647 HD22 ASN 600 2HD2 ASN 600 -3.943 1.626 16.062 648 H GLU 601 H GLU 601 0.282 -0.933 12.176 649 HA GLU 601 HA GLU 601 0.945 1.697 12.710 650 HB2 GLU 601 1HB GLU 601 1.560 -0.077 10.366 651 HB3 GLU 601 2HB GLU 601 2.189 1.550 10.416 652 HG2 GLU 601 1HG GLU 601 2.599 -0.324 12.785 653 HG3 GLU 601 2HG GLU 601 3.596 -0.457 11.350 654 HA PRO 602 HA PRO 602 -1.999 3.914 10.004 655 HB2 PRO 602 1HB PRO 602 -0.832 6.357 10.028 656 HB3 PRO 602 2HB PRO 602 -1.746 5.686 11.403 657 HG2 PRO 602 1HG PRO 602 1.267 5.776 11.028 658 HG3 PRO 602 2HG PRO 602 0.325 6.144 12.504 659 HD2 PRO 602 1HD PRO 602 1.548 3.695 11.964 660 HD3 PRO 602 2HD PRO 602 0.093 3.877 13.005 661 H LEU 603 H LEU 603 -1.844 3.376 7.885 662 HA LEU 603 HA LEU 603 0.832 3.366 6.581 663 HG LEU 603 HG LEU 603 -1.597 1.202 7.592 664 HB2 LEU 603 1HB LEU 603 -1.558 2.176 5.245 665 HB3 LEU 603 2HB LEU 603 0.111 1.712 5.123 666 HD11 LEU 603 1HD1 LEU 603 -1.862 -1.059 6.744 667 HD12 LEU 603 2HD1 LEU 603 -2.571 0.118 5.640 668 HD13 LEU 603 3HD1 LEU 603 -1.011 -0.622 5.238 669 HD21 LEU 603 3HD2 LEU 603 0.830 1.180 8.020 670 HD22 LEU 603 1HD2 LEU 603 0.187 -0.460 8.098 671 HD23 LEU 603 2HD2 LEU 603 1.089 0.061 6.658 672 H VAL 604 H VAL 604 0.825 3.608 4.122 673 HA VAL 604 HA VAL 604 -1.338 5.067 2.811 674 HB VAL 604 HB VAL 604 1.137 6.096 1.770 675 HG11 VAL 604 1HG1 VAL 604 0.431 8.102 1.646 676 HG12 VAL 604 2HG1 VAL 604 -0.931 7.092 1.285 677 HG13 VAL 604 3HG1 VAL 604 -0.830 7.894 2.903 678 HG21 VAL 604 3HG2 VAL 604 2.162 5.800 3.912 679 HG22 VAL 604 1HG2 VAL 604 2.060 7.489 3.400 680 HG23 VAL 604 2HG2 VAL 604 0.907 6.851 4.627 681 H THR 605 H THR 605 -1.595 3.833 0.935 682 HA THR 605 HA THR 605 0.574 2.680 -0.545 683 HB THR 605 HB THR 605 0.605 1.078 1.315 684 HG1 THR 605 1HG THR 605 1.179 -0.229 -0.096 685 HG21 THR 605 3HG2 THR 605 -1.730 1.271 2.059 686 HG22 THR 605 1HG2 THR 605 -2.272 0.429 0.599 687 HG23 THR 605 2HG2 THR 605 -1.285 -0.400 1.812 688 H MET 606 H MET 606 -0.730 0.831 -2.092 689 HA MET 606 HA MET 606 -3.231 2.095 -3.008 690 HB2 MET 606 1HB MET 606 -2.383 0.194 -4.916 691 HB3 MET 606 2HB MET 606 -2.588 1.922 -5.052 692 HG2 MET 606 1HG MET 606 -0.558 1.532 -5.841 693 HG3 MET 606 2HG MET 606 -0.244 2.222 -4.272 694 HE1 MET 606 3HE MET 606 -0.200 -1.195 -6.460 695 HE2 MET 606 1HE MET 606 0.332 -2.348 -5.235 696 HE3 MET 606 2HE MET 606 -1.274 -1.620 -5.110 697 HA PRO 607 HA PRO 607 -5.504 -1.051 -1.497 698 HB2 PRO 607 1HB PRO 607 -7.054 -2.174 -3.544 699 HB3 PRO 607 2HB PRO 607 -7.370 -0.678 -2.620 700 HG2 PRO 607 1HG PRO 607 -6.229 -0.965 -5.362 701 HG3 PRO 607 2HG PRO 607 -7.182 0.388 -4.661 702 HD2 PRO 607 1HD PRO 607 -4.470 0.357 -5.110 703 HD3 PRO 607 2HD PRO 607 -5.233 1.447 -3.938 704 H ILE 608 H ILE 608 -4.837 -2.774 -0.592 705 HA ILE 608 HA ILE 608 -2.843 -4.442 -1.590 706 HB ILE 608 HB ILE 608 -4.750 -4.770 0.777 707 HG12 ILE 608 1HG1 ILE 608 -3.564 -2.637 0.939 708 HG13 ILE 608 2HG1 ILE 608 -3.057 -3.758 2.185 709 HG21 ILE 608 1HG2 ILE 608 -2.970 -6.107 1.832 710 HG22 ILE 608 2HG2 ILE 608 -3.677 -6.903 0.418 711 HG23 ILE 608 3HG2 ILE 608 -2.076 -6.134 0.291 712 HD11 ILE 608 3HD1 ILE 608 -0.968 -4.240 0.890 713 HD12 ILE 608 1HD1 ILE 608 -1.482 -3.042 -0.326 714 HD13 ILE 608 2HD1 ILE 608 -1.138 -2.548 1.340 715 H GLY 609 H GLY 609 -6.336 -5.331 -1.014 716 HA2 GLY 609 1HA GLY 609 -5.878 -7.835 -2.514 717 HA3 GLY 609 2HA GLY 609 -7.334 -7.340 -1.627 718 H TYR 610 H TYR 610 -5.402 -6.477 -4.474 719 HA TYR 610 HA TYR 610 -7.878 -5.773 -6.031 720 HD1 TYR 610 1HD TYR 610 -9.108 -4.407 -7.110 721 HD2 TYR 610 2HD TYR 610 -5.247 -2.448 -7.757 722 HE1 TYR 610 1HE TYR 610 -10.110 -2.889 -8.595 723 HE2 TYR 610 2HE TYR 610 -6.225 -1.228 -9.623 724 HH TYR 610 HH TYR 610 -8.141 -0.835 -10.903 725 HB2 TYR 610 1HB TYR 610 -6.818 -3.694 -5.177 726 HB3 TYR 610 2HB TYR 610 -5.362 -4.104 -6.082 727 H VAL 611 H VAL 611 -6.222 -5.241 -8.368 728 HA VAL 611 HA VAL 611 -5.757 -7.312 -9.841 729 HB VAL 611 HB VAL 611 -3.717 -6.207 -10.786 730 HG11 VAL 611 1HG1 VAL 611 -6.011 -4.281 -10.189 731 HG12 VAL 611 2HG1 VAL 611 -4.943 -4.251 -11.596 732 HG13 VAL 611 3HG1 VAL 611 -6.095 -5.580 -11.381 733 HG21 VAL 611 3HG2 VAL 611 -3.196 -3.879 -10.040 734 HG22 VAL 611 1HG2 VAL 611 -3.964 -4.257 -8.482 735 HG23 VAL 611 2HG2 VAL 611 -2.536 -5.165 -9.060 736 H THR 612 H THR 612 -3.181 -6.432 -7.530 737 HA THR 612 HA THR 612 -1.393 -8.487 -8.013 738 HB THR 612 HB THR 612 -0.628 -8.034 -5.665 739 HG1 THR 612 1HG THR 612 -2.056 -6.127 -4.797 740 HG21 THR 612 3HG2 THR 612 -0.085 -5.703 -5.976 741 HG22 THR 612 1HG2 THR 612 -0.111 -6.440 -7.587 742 HG23 THR 612 2HG2 THR 612 -1.469 -5.434 -7.051 743 H HIS 613 H HIS 613 -4.317 -8.556 -6.105 744 HA HIS 613 HA HIS 613 -4.055 -11.392 -5.424 745 HD1 HIS 613 1HD HIS 613 -3.290 -8.137 -3.281 746 HD2 HIS 613 2HD HIS 613 -4.180 -12.220 -2.488 747 HE1 HIS 613 1HE HIS 613 -1.584 -8.971 -1.535 748 HE2 HIS 613 2HE HIS 613 -2.157 -11.482 -1.099 749 HB2 HIS 613 1HB HIS 613 -5.715 -9.174 -4.269 750 HB3 HIS 613 2HB HIS 613 -5.987 -10.866 -3.881 751 H GLY 614 H GLY 614 -5.097 -9.857 -8.054 752 HA2 GLY 614 1HA GLY 614 -6.530 -10.301 -9.691 753 HA3 GLY 614 2HA GLY 614 -6.993 -11.799 -8.875 754 H PHE 615 H PHE 615 -7.446 -8.766 -7.120 755 HA PHE 615 HA PHE 615 -10.353 -9.421 -7.058 756 HD1 PHE 615 1HD PHE 615 -9.612 -10.992 -5.687 757 HD2 PHE 615 2HD PHE 615 -9.849 -7.705 -2.931 758 HE1 PHE 615 1HE PHE 615 -9.866 -12.577 -3.793 759 HE2 PHE 615 2HE PHE 615 -10.053 -9.226 -1.059 760 HZ PHE 615 HZ PHE 615 -10.089 -11.716 -1.472 761 HB2 PHE 615 1HB PHE 615 -8.471 -7.797 -5.392 762 HB3 PHE 615 2HB PHE 615 -10.181 -7.414 -5.353 763 H ASN 616 H ASN 616 -11.820 -7.935 -7.399 764 HA ASN 616 HA ASN 616 -11.151 -5.750 -9.329 765 HB2 ASN 616 1HB ASN 616 -14.001 -6.022 -8.336 766 HB3 ASN 616 2HB ASN 616 -13.443 -5.748 -9.974 767 HD21 ASN 616 1HD2 ASN 616 -15.166 -7.959 -8.053 768 HD22 ASN 616 2HD2 ASN 616 -14.854 -9.333 -9.049 769 H LEU 617 H LEU 617 -12.561 -3.722 -9.006 770 HA LEU 617 HA LEU 617 -11.442 -2.461 -6.745 771 HG LEU 617 HG LEU 617 -12.927 0.863 -7.660 772 HB2 LEU 617 1HB LEU 617 -12.356 -1.420 -8.966 773 HB3 LEU 617 2HB LEU 617 -13.917 -1.382 -8.148 774 HD11 LEU 617 1HD1 LEU 617 -13.226 0.975 -5.681 775 HD12 LEU 617 2HD1 LEU 617 -13.876 -0.611 -5.882 776 HD13 LEU 617 3HD1 LEU 617 -12.199 -0.528 -5.316 777 HD21 LEU 617 3HD2 LEU 617 -10.708 1.239 -7.146 778 HD22 LEU 617 1HD2 LEU 617 -10.391 -0.489 -6.896 779 HD23 LEU 617 2HD2 LEU 617 -10.670 0.143 -8.523 780 H GLU 618 H GLU 618 -14.841 -3.451 -7.307 781 HA GLU 618 HA GLU 618 -15.984 -2.833 -4.900 782 HB2 GLU 618 1HB GLU 618 -17.072 -3.767 -6.963 783 HB3 GLU 618 2HB GLU 618 -16.400 -5.335 -6.558 784 HG2 GLU 618 1HG GLU 618 -17.734 -4.820 -4.231 785 HG3 GLU 618 2HG GLU 618 -18.717 -3.863 -5.343 786 H GLU 619 H GLU 619 -14.456 -6.034 -5.633 787 HA GLU 619 HA GLU 619 -14.685 -7.094 -3.040 788 HB2 GLU 619 1HB GLU 619 -13.120 -7.743 -5.470 789 HB3 GLU 619 2HB GLU 619 -12.509 -8.390 -3.945 790 HG2 GLU 619 1HG GLU 619 -15.393 -8.647 -4.885 791 HG3 GLU 619 2HG GLU 619 -14.146 -9.858 -5.059 792 H ALA 620 H ALA 620 -12.045 -5.149 -4.499 793 HA ALA 620 HA ALA 620 -10.217 -5.442 -2.371 794 HB1 ALA 620 1HB ALA 620 -9.701 -4.626 -4.694 795 HB2 ALA 620 2HB ALA 620 -10.451 -3.069 -4.262 796 HB3 ALA 620 3HB ALA 620 -8.980 -3.675 -3.408 797 H ALA 621 H ALA 621 -12.416 -2.669 -3.070 798 HA ALA 621 HA ALA 621 -12.130 -1.148 -0.765 799 HB1 ALA 621 1HB ALA 621 -13.385 -0.396 -2.694 800 HB2 ALA 621 2HB ALA 621 -14.476 -1.792 -2.603 801 HB3 ALA 621 3HB ALA 621 -14.531 -0.558 -1.347 802 H ARG 622 H ARG 622 -14.455 -3.890 -1.363 803 HA ARG 622 HA ARG 622 -15.407 -3.681 1.270 804 HE ARG 622 HE ARG 622 -20.255 -4.724 -0.626 805 HB2 ARG 622 1HB ARG 622 -15.526 -6.015 -0.683 806 HB3 ARG 622 2HB ARG 622 -16.259 -6.075 0.934 807 HG2 ARG 622 1HG ARG 622 -17.504 -3.938 0.371 808 HG3 ARG 622 2HG ARG 622 -16.933 -4.109 -1.292 809 HD2 ARG 622 1HD ARG 622 -18.515 -5.591 -1.780 810 HD3 ARG 622 2HD ARG 622 -18.092 -6.635 -0.423 811 HH11 ARG 622 2HH2 ARG 622 -18.502 -6.853 1.585 812 HH12 ARG 622 1HH2 ARG 622 -19.478 -6.471 2.967 813 HH21 ARG 622 2HH1 ARG 622 -21.684 -4.406 1.108 814 HH22 ARG 622 1HH1 ARG 622 -21.528 -5.404 2.526 815 H CYS 623 H CYS 623 -12.737 -5.682 0.022 816 HA CYS 623 HA CYS 623 -12.349 -7.092 2.461 817 HG CYS 623 HG CYS 623 -11.233 -9.292 1.853 818 HB2 CYS 623 1HB CYS 623 -11.419 -7.549 0.064 819 HB3 CYS 623 2HB CYS 623 -10.092 -6.482 0.520 820 H MET 624 H MET 624 -11.278 -3.895 1.406 821 HA MET 624 HA MET 624 -9.249 -3.523 3.446 822 HB2 MET 624 1HB MET 624 -10.907 -1.466 1.915 823 HB3 MET 624 2HB MET 624 -9.698 -1.070 3.128 824 HG2 MET 624 1HG MET 624 -8.077 -2.555 1.753 825 HG3 MET 624 2HG MET 624 -9.233 -2.291 0.429 826 HE1 MET 624 3HE MET 624 -5.790 0.113 0.631 827 HE2 MET 624 1HE MET 624 -6.048 -0.983 2.015 828 HE3 MET 624 2HE MET 624 -6.237 -1.598 0.367 829 H ARG 625 H ARG 625 -12.719 -3.687 3.731 830 HA ARG 625 HA ARG 625 -12.948 -2.062 6.093 831 HE ARG 625 HE ARG 625 -16.750 -0.454 4.469 832 HB2 ARG 625 1HB ARG 625 -14.596 -4.425 5.106 833 HB3 ARG 625 2HB ARG 625 -15.059 -3.301 6.380 834 HG2 ARG 625 1HG ARG 625 -14.802 -1.404 4.682 835 HG3 ARG 625 2HG ARG 625 -14.573 -2.617 3.435 836 HD2 ARG 625 1HD ARG 625 -16.775 -2.693 3.124 837 HD3 ARG 625 2HD ARG 625 -16.945 -3.417 4.728 838 HH11 ARG 625 2HH2 ARG 625 -19.099 -3.135 4.832 839 HH12 ARG 625 1HH2 ARG 625 -20.151 -2.158 5.783 840 HH21 ARG 625 2HH1 ARG 625 -18.143 0.745 5.642 841 HH22 ARG 625 1HH1 ARG 625 -19.617 0.087 6.287 842 H SER 626 H SER 626 -11.645 -5.197 5.522 843 HA SER 626 HA SER 626 -11.551 -6.146 8.271 844 HG SER 626 HG SER 626 -10.063 -8.089 8.263 845 HB2 SER 626 1HB SER 626 -11.526 -7.546 6.180 846 HB3 SER 626 2HB SER 626 -9.943 -6.867 5.786 847 H LEU 627 H LEU 627 -9.859 -3.573 6.666 848 HA LEU 627 HA LEU 627 -7.330 -3.941 8.080 849 HG LEU 627 HG LEU 627 -6.242 -1.361 8.091 850 HB2 LEU 627 1HB LEU 627 -7.614 -2.784 5.776 851 HB3 LEU 627 2HB LEU 627 -8.384 -1.458 6.662 852 HD11 LEU 627 1HD1 LEU 627 -5.254 -3.546 7.405 853 HD12 LEU 627 2HD1 LEU 627 -5.170 -2.988 5.719 854 HD13 LEU 627 3HD1 LEU 627 -4.188 -2.213 6.985 855 HD21 LEU 627 3HD2 LEU 627 -5.064 0.010 6.451 856 HD22 LEU 627 1HD2 LEU 627 -6.081 -0.666 5.141 857 HD23 LEU 627 2HD2 LEU 627 -6.798 0.325 6.422 858 H LYS 628 H LYS 628 -6.922 -3.133 10.070 859 HA LYS 628 HA LYS 628 -9.186 -1.842 11.499 860 HB2 LYS 628 1HB LYS 628 -6.821 -3.396 12.551 861 HB3 LYS 628 2HB LYS 628 -8.182 -2.812 13.502 862 HG2 LYS 628 1HG LYS 628 -8.383 -4.787 11.184 863 HG3 LYS 628 2HG LYS 628 -8.314 -5.226 12.854 864 HD2 LYS 628 1HD LYS 628 -10.594 -3.457 11.883 865 HD3 LYS 628 2HD LYS 628 -10.567 -5.188 11.585 866 HE2 LYS 628 1HE LYS 628 -11.718 -5.188 13.549 867 HE3 LYS 628 2HE LYS 628 -10.072 -5.470 14.108 868 HZ1 LYS 628 3HZ LYS 628 -11.706 -3.044 14.381 869 HZ2 LYS 628 1HZ LYS 628 -10.939 -3.879 15.508 870 HZ3 LYS 628 2HZ LYS 628 -10.080 -2.900 14.489 871 H ALA 629 H ALA 629 -5.897 -1.052 10.518 872 HA ALA 629 HA ALA 629 -5.754 1.254 12.338 873 HB1 ALA 629 1HB ALA 629 -3.988 0.461 9.995 874 HB2 ALA 629 2HB ALA 629 -3.551 1.531 11.322 875 HB3 ALA 629 3HB ALA 629 -3.767 -0.192 11.638 876 HA PRO 630 HA PRO 630 -7.096 3.958 8.839 877 HB2 PRO 630 1HB PRO 630 -5.656 6.235 9.344 878 HB3 PRO 630 2HB PRO 630 -7.088 5.759 10.323 879 HG2 PRO 630 1HG PRO 630 -4.146 5.499 10.927 880 HG3 PRO 630 2HG PRO 630 -5.489 5.923 12.029 881 HD2 PRO 630 1HD PRO 630 -4.331 3.408 11.759 882 HD3 PRO 630 2HD PRO 630 -5.981 3.660 12.393 883 H ALA 631 H ALA 631 -6.286 4.302 6.671 884 HA ALA 631 HA ALA 631 -3.426 4.494 6.244 885 HB1 ALA 631 1HB ALA 631 -3.736 2.091 6.279 886 HB2 ALA 631 2HB ALA 631 -5.168 2.213 5.251 887 HB3 ALA 631 3HB ALA 631 -3.578 2.604 4.580 888 H VAL 632 H VAL 632 -3.080 4.952 3.798 889 HA VAL 632 HA VAL 632 -5.563 6.159 2.660 890 HB VAL 632 HB VAL 632 -2.697 6.887 2.498 891 HG11 VAL 632 1HG1 VAL 632 -4.857 7.860 0.614 892 HG12 VAL 632 2HG1 VAL 632 -3.249 8.588 0.766 893 HG13 VAL 632 3HG1 VAL 632 -3.404 6.947 0.155 894 HG21 VAL 632 3HG2 VAL 632 -5.159 8.581 3.026 895 HG22 VAL 632 1HG2 VAL 632 -4.087 7.911 4.279 896 HG23 VAL 632 2HG2 VAL 632 -3.457 9.111 3.136 897 H VAL 633 H VAL 633 -6.032 5.744 0.523 898 HA VAL 633 HA VAL 633 -4.852 3.285 -0.664 899 HB VAL 633 HB VAL 633 -7.790 4.068 -0.840 900 HG11 VAL 633 1HG1 VAL 633 -6.908 2.512 -2.527 901 HG12 VAL 633 2HG1 VAL 633 -6.309 1.442 -1.236 902 HG13 VAL 633 3HG1 VAL 633 -8.049 1.715 -1.445 903 HG21 VAL 633 3HG2 VAL 633 -8.345 2.483 0.885 904 HG22 VAL 633 1HG2 VAL 633 -6.606 2.261 1.228 905 HG23 VAL 633 2HG2 VAL 633 -7.418 3.814 1.547 906 H SER 634 H SER 634 -3.614 4.412 -2.308 907 HA SER 634 HA SER 634 -5.002 6.539 -3.824 908 HG SER 634 HG SER 634 -2.281 7.342 -5.633 909 HB2 SER 634 1HB SER 634 -2.460 6.459 -3.296 910 HB3 SER 634 2HB SER 634 -2.381 5.365 -4.702 911 H VAL 635 H VAL 635 -6.485 5.917 -5.287 912 HA VAL 635 HA VAL 635 -6.306 3.239 -6.561 913 HB VAL 635 HB VAL 635 -8.531 3.911 -7.527 914 HG11 VAL 635 1HG1 VAL 635 -8.294 3.692 -4.484 915 HG12 VAL 635 2HG1 VAL 635 -9.761 3.383 -5.438 916 HG13 VAL 635 3HG1 VAL 635 -8.344 2.342 -5.635 917 HG21 VAL 635 3HG2 VAL 635 -9.834 5.616 -6.435 918 HG22 VAL 635 1HG2 VAL 635 -8.528 6.022 -5.334 919 HG23 VAL 635 2HG2 VAL 635 -8.366 6.382 -7.068 920 H SER 636 H SER 636 -7.322 3.604 -9.100 921 HA SER 636 HA SER 636 -4.948 4.570 -10.294 922 HG SER 636 HG SER 636 -5.001 2.410 -11.006 923 HB2 SER 636 1HB SER 636 -7.545 3.585 -11.526 924 HB3 SER 636 2HB SER 636 -6.039 3.875 -12.426 925 H SER 637 H SER 637 -8.210 5.994 -10.046 926 HA SER 637 HA SER 637 -7.238 8.539 -11.177 927 HG SER 637 HG SER 637 -8.767 6.574 -14.013 928 HB2 SER 637 1HB SER 637 -9.833 7.747 -12.275 929 HB3 SER 637 2HB SER 637 -8.437 8.459 -13.079 930 HA PRO 638 HA PRO 638 -9.959 10.179 -8.228 931 HB2 PRO 638 1HB PRO 638 -11.169 12.348 -9.517 932 HB3 PRO 638 2HB PRO 638 -9.506 12.320 -8.856 933 HG2 PRO 638 1HG PRO 638 -10.385 11.832 -11.707 934 HG3 PRO 638 2HG PRO 638 -8.971 12.767 -11.104 935 HD2 PRO 638 1HD PRO 638 -8.639 10.314 -12.034 936 HD3 PRO 638 2HD PRO 638 -7.732 10.896 -10.608 937 H ASP 639 H ASP 639 -11.511 9.202 -11.305 938 HA ASP 639 HA ASP 639 -14.211 9.252 -10.314 939 HB2 ASP 639 1HB ASP 639 -12.763 7.804 -12.540 940 HB3 ASP 639 2HB ASP 639 -14.439 7.431 -12.124 941 H ALA 640 H ALA 640 -11.532 6.925 -10.088 942 HA ALA 640 HA ALA 640 -13.181 4.635 -9.235 943 HB1 ALA 640 1HB ALA 640 -10.976 4.257 -10.283 944 HB2 ALA 640 2HB ALA 640 -10.188 5.115 -8.938 945 HB3 ALA 640 3HB ALA 640 -11.074 3.603 -8.633 946 H VAL 641 H VAL 641 -11.512 7.383 -7.670 947 HA VAL 641 HA VAL 641 -11.662 6.497 -4.996 948 HB VAL 641 HB VAL 641 -12.055 9.307 -6.098 949 HG11 VAL 641 1HG1 VAL 641 -11.115 8.341 -3.362 950 HG12 VAL 641 2HG1 VAL 641 -11.126 10.038 -3.888 951 HG13 VAL 641 3HG1 VAL 641 -12.656 9.176 -3.700 952 HG21 VAL 641 3HG2 VAL 641 -9.887 8.280 -6.854 953 HG22 VAL 641 1HG2 VAL 641 -9.688 9.678 -5.816 954 HG23 VAL 641 2HG2 VAL 641 -9.462 8.058 -5.143 955 H THR 642 H THR 642 -13.994 8.531 -6.801 956 HA THR 642 HA THR 642 -16.027 8.635 -4.986 957 HB THR 642 HB THR 642 -16.089 8.623 -8.035 958 HG1 THR 642 1HG THR 642 -15.356 10.590 -7.899 959 HG21 THR 642 3HG2 THR 642 -18.396 8.573 -7.104 960 HG22 THR 642 1HG2 THR 642 -18.009 9.987 -6.093 961 HG23 THR 642 2HG2 THR 642 -18.004 10.114 -7.867 962 H THR 643 H THR 643 -15.487 6.045 -7.461 963 HA THR 643 HA THR 643 -17.805 4.518 -6.755 964 HB THR 643 HB THR 643 -15.267 3.312 -7.891 965 HG1 THR 643 1HG THR 643 -16.239 4.156 -9.967 966 HG21 THR 643 3HG2 THR 643 -18.149 3.077 -8.851 967 HG22 THR 643 1HG2 THR 643 -16.773 2.011 -9.225 968 HG23 THR 643 2HG2 THR 643 -17.474 2.027 -7.603 969 H TYR 644 H TYR 644 -14.437 4.456 -5.637 970 HA TYR 644 HA TYR 644 -14.423 2.027 -4.287 971 HD1 TYR 644 2HD TYR 644 -12.450 3.246 -1.350 972 HD2 TYR 644 1HD TYR 644 -11.413 1.591 -5.171 973 HE1 TYR 644 2HE TYR 644 -11.022 1.471 -0.186 974 HE2 TYR 644 1HE TYR 644 -10.142 -0.260 -4.026 975 HH TYR 644 HH TYR 644 -9.534 -0.346 -0.568 976 HB2 TYR 644 1HB TYR 644 -12.505 3.601 -4.978 977 HB3 TYR 644 2HB TYR 644 -12.827 4.467 -3.490 978 H ASN 645 H ASN 645 -14.767 5.290 -2.982 979 HA ASN 645 HA ASN 645 -15.494 4.849 -0.328 980 HB2 ASN 645 1HB ASN 645 -16.478 6.949 -2.318 981 HB3 ASN 645 2HB ASN 645 -16.929 6.960 -0.628 982 HD21 ASN 645 1HD2 ASN 645 -14.438 7.607 -2.862 983 HD22 ASN 645 2HD2 ASN 645 -13.379 8.409 -1.768 984 H GLY 646 H GLY 646 -17.558 4.977 -3.182 985 HA2 GLY 646 1HA GLY 646 -20.104 4.476 -2.095 986 HA3 GLY 646 2HA GLY 646 -19.589 3.902 -3.690 987 H TYR 647 H TYR 647 -17.740 1.968 -3.198 988 HA TYR 647 HA TYR 647 -19.321 -0.251 -2.322 989 HD1 TYR 647 2HD TYR 647 -19.252 -1.584 -4.459 990 HD2 TYR 647 1HD TYR 647 -15.408 0.375 -4.711 991 HE1 TYR 647 2HE TYR 647 -19.325 -1.707 -6.930 992 HE2 TYR 647 1HE TYR 647 -15.517 0.359 -7.095 993 HH TYR 647 HH TYR 647 -18.242 -1.094 -8.957 994 HB2 TYR 647 1HB TYR 647 -16.316 -0.075 -2.599 995 HB3 TYR 647 2HB TYR 647 -17.246 -1.560 -2.512 996 H LEU 648 H LEU 648 -16.671 1.657 -0.628 997 HA LEU 648 HA LEU 648 -16.498 0.246 1.697 998 HG LEU 648 HG LEU 648 -13.964 2.856 1.535 999 HB2 LEU 648 1HB LEU 648 -15.903 2.879 0.531 1000 HB3 LEU 648 2HB LEU 648 -16.302 3.057 2.201 1001 HD11 LEU 648 1HD1 LEU 648 -14.656 2.430 3.895 1002 HD12 LEU 648 2HD1 LEU 648 -14.874 0.709 3.512 1003 HD13 LEU 648 3HD1 LEU 648 -13.255 1.432 3.467 1004 HD21 LEU 648 3HD2 LEU 648 -13.964 1.187 -0.132 1005 HD22 LEU 648 1HD2 LEU 648 -12.875 0.688 1.175 1006 HD23 LEU 648 2HD2 LEU 648 -14.463 -0.073 1.035 1007 H THR 649 H THR 649 -19.353 2.078 0.767 1008 HA THR 649 HA THR 649 -20.199 2.025 3.634 1009 HB THR 649 HB THR 649 -19.565 4.234 2.819 1010 HG1 THR 649 1HG THR 649 -21.305 3.812 4.380 1011 HG21 THR 649 3HG2 THR 649 -20.288 4.064 0.449 1012 HG22 THR 649 1HG2 THR 649 -21.981 4.090 0.967 1013 HG23 THR 649 2HG2 THR 649 -20.917 5.492 1.257 1014 H SER 650 H SER 650 -20.889 0.690 0.629 1015 HA SER 650 HA SER 650 -22.555 -0.599 -0.145 1016 HG SER 650 HG SER 650 -21.322 -2.279 0.935 1017 HB2 SER 650 1HB SER 650 -23.082 -1.049 2.803 1018 HB3 SER 650 2HB SER 650 -23.552 -2.076 1.429 1019 H SER 651 H SER 651 -23.404 1.701 -0.587 1020 HA SER 651 HA SER 651 -26.189 2.194 0.189 1021 HG SER 651 HG SER 651 -25.199 4.256 0.095 1022 HB2 SER 651 1HB SER 651 -24.642 2.906 -2.336 1023 HB3 SER 651 2HB SER 651 -26.260 3.492 -1.938 Start of MODEL 19 1 H1 GLY -4 H GLY -4 -6.282 6.482 16.591 2 HA2 GLY -4 1HA GLY -4 -4.961 5.763 14.047 3 HA3 GLY -4 2HA GLY -4 -6.675 6.220 14.150 4 H SER -3 H SER -3 -5.849 7.923 12.504 5 HA SER -3 HA SER -3 -5.299 10.395 13.972 6 HG SER -3 HG SER -3 -2.308 9.113 11.602 7 HB2 SER -3 1HB SER -3 -3.441 11.034 12.440 8 HB3 SER -3 2HB SER -3 -3.049 9.700 13.532 9 H HIS -2 H HIS -2 -5.287 9.279 10.574 10 HA HIS -2 HA HIS -2 -8.001 9.826 10.101 11 HD1 HIS -2 1HD HIS -2 -7.547 14.455 9.484 12 HD2 HIS -2 2HD HIS -2 -9.893 10.932 9.765 13 HE1 HIS -2 1HE HIS -2 -9.949 15.183 9.917 14 HE2 HIS -2 2HE HIS -2 -11.350 13.040 10.139 15 HB2 HIS -2 1HB HIS -2 -6.162 12.098 9.493 16 HB3 HIS -2 2HB HIS -2 -7.018 11.537 8.079 17 H MET -1 H MET -1 -8.554 9.067 7.875 18 HA MET -1 HA MET -1 -6.409 8.576 6.043 19 HB2 MET -1 1HB MET -1 -6.842 6.256 5.639 20 HB3 MET -1 2HB MET -1 -6.319 6.440 7.300 21 HG2 MET -1 1HG MET -1 -8.270 5.715 8.172 22 HG3 MET -1 2HG MET -1 -9.271 6.434 6.918 23 HE1 MET -1 3HE MET -1 -10.170 5.266 4.859 24 HE2 MET -1 1HE MET -1 -8.514 5.434 4.246 25 HE3 MET -1 2HE MET -1 -9.349 3.889 4.084 26 H GLY 527 H GLY 527 -7.399 7.741 3.903 27 HA2 GLY 527 1HA GLY 527 -10.006 7.209 3.566 28 HA3 GLY 527 2HA GLY 527 -9.895 8.961 3.208 29 H THR 528 H THR 528 -10.687 7.767 1.076 30 HA THR 528 HA THR 528 -8.491 6.581 -0.441 31 HB THR 528 HB THR 528 -11.319 7.144 -1.383 32 HG1 THR 528 1HG THR 528 -10.362 4.860 0.010 33 HG21 THR 528 3HG2 THR 528 -9.442 4.820 -2.060 34 HG22 THR 528 1HG2 THR 528 -10.922 5.297 -2.864 35 HG23 THR 528 2HG2 THR 528 -9.495 6.320 -3.015 36 H VAL 529 H VAL 529 -7.332 7.696 -1.974 37 HA VAL 529 HA VAL 529 -8.067 10.474 -2.736 38 HB VAL 529 HB VAL 529 -5.813 11.170 -2.402 39 HG11 VAL 529 1HG1 VAL 529 -5.631 11.078 0.043 40 HG12 VAL 529 2HG1 VAL 529 -7.324 11.303 -0.445 41 HG13 VAL 529 3HG1 VAL 529 -6.754 9.722 0.113 42 HG21 VAL 529 3HG2 VAL 529 -5.147 8.379 -1.393 43 HG22 VAL 529 1HG2 VAL 529 -4.508 9.147 -2.856 44 HG23 VAL 529 2HG2 VAL 529 -4.101 9.786 -1.257 45 H SER 530 H SER 530 -6.408 11.062 -4.652 46 HA SER 530 HA SER 530 -6.141 8.706 -6.471 47 HG SER 530 HG SER 530 -7.833 11.707 -6.065 48 HB2 SER 530 1HB SER 530 -6.753 10.350 -8.340 49 HB3 SER 530 2HB SER 530 -8.032 9.734 -7.306 50 H TRP 531 H TRP 531 -4.204 10.040 -4.638 51 HA TRP 531 HA TRP 531 -2.330 11.648 -6.068 52 HD1 TRP 531 HD TRP 531 -3.706 12.873 -4.289 53 HE1 TRP 531 1HE TRP 531 -4.216 13.880 -2.020 54 HE3 TRP 531 3HE TRP 531 -0.582 9.980 -1.465 55 HZ2 TRP 531 2HZ TRP 531 -3.568 13.265 0.804 56 HZ3 TRP 531 3HZ TRP 531 -0.484 10.241 0.938 57 HH2 TRP 531 HH TRP 531 -2.088 11.794 2.127 58 HB2 TRP 531 1HB TRP 531 -1.793 9.645 -3.861 59 HB3 TRP 531 2HB TRP 531 -0.765 10.979 -4.337 60 H ASN 532 H ASN 532 -0.243 11.069 -6.841 61 HA ASN 532 HA ASN 532 -0.382 8.580 -8.431 62 HB2 ASN 532 1HB ASN 532 1.745 9.678 -9.455 63 HB3 ASN 532 2HB ASN 532 0.148 10.270 -9.898 64 HD21 ASN 532 1HD2 ASN 532 3.184 11.421 -9.356 65 HD22 ASN 532 2HD2 ASN 532 2.729 12.975 -8.694 66 H LEU 533 H LEU 533 1.599 7.285 -8.528 67 HA LEU 533 HA LEU 533 2.305 6.352 -6.010 68 HG LEU 533 HG LEU 533 4.270 3.728 -7.869 69 HB2 LEU 533 1HB LEU 533 2.518 5.256 -8.332 70 HB3 LEU 533 2HB LEU 533 4.063 6.065 -8.471 71 HD11 LEU 533 1HD1 LEU 533 5.130 5.236 -5.392 72 HD12 LEU 533 2HD1 LEU 533 5.852 3.806 -6.120 73 HD13 LEU 533 3HD1 LEU 533 5.972 5.364 -6.959 74 HD21 LEU 533 3HD2 LEU 533 2.137 3.448 -6.649 75 HD22 LEU 533 1HD2 LEU 533 3.530 2.768 -5.781 76 HD23 LEU 533 2HD2 LEU 533 2.836 4.310 -5.251 77 H ARG 534 H ARG 534 4.139 8.626 -8.062 78 HA ARG 534 HA ARG 534 6.390 9.105 -6.422 79 HE ARG 534 HE ARG 534 8.049 12.066 -9.066 80 HB2 ARG 534 1HB ARG 534 4.775 11.023 -8.146 81 HB3 ARG 534 2HB ARG 534 6.298 11.464 -7.405 82 HG2 ARG 534 1HG ARG 534 6.054 9.087 -9.296 83 HG3 ARG 534 2HG ARG 534 6.289 10.737 -9.869 84 HD2 ARG 534 1HD ARG 534 8.140 9.462 -7.849 85 HD3 ARG 534 2HD ARG 534 8.396 9.350 -9.606 86 HH11 ARG 534 2HH2 ARG 534 10.279 9.565 -7.914 87 HH12 ARG 534 1HH2 ARG 534 11.624 10.668 -7.749 88 HH21 ARG 534 2HH1 ARG 534 9.760 13.484 -8.755 89 HH22 ARG 534 1HH1 ARG 534 11.317 12.928 -8.211 90 H GLU 535 H GLU 535 3.100 10.661 -6.198 91 HA GLU 535 HA GLU 535 3.815 12.483 -4.179 92 HB2 GLU 535 1HB GLU 535 1.283 11.479 -5.378 93 HB3 GLU 535 2HB GLU 535 1.209 12.144 -3.758 94 HG2 GLU 535 1HG GLU 535 2.804 13.963 -5.293 95 HG3 GLU 535 2HG GLU 535 1.449 13.520 -6.304 96 H MET 536 H MET 536 2.221 9.311 -4.087 97 HA MET 536 HA MET 536 1.987 9.100 -1.285 98 HB2 MET 536 1HB MET 536 2.238 6.944 -3.412 99 HB3 MET 536 2HB MET 536 1.721 6.649 -1.750 100 HG2 MET 536 1HG MET 536 0.226 8.857 -3.001 101 HG3 MET 536 2HG MET 536 0.100 7.434 -3.941 102 HE1 MET 536 3HE MET 536 -0.077 5.153 -2.104 103 HE2 MET 536 1HE MET 536 -1.878 5.108 -2.071 104 HE3 MET 536 2HE MET 536 -0.990 5.712 -3.517 105 H LEU 537 H LEU 537 4.699 8.047 -3.351 106 HA LEU 537 HA LEU 537 6.249 6.638 -1.389 107 HG LEU 537 HG LEU 537 8.952 6.755 -2.409 108 HB2 LEU 537 1HB LEU 537 6.409 6.939 -4.048 109 HB3 LEU 537 2HB LEU 537 7.456 8.281 -3.607 110 HD11 LEU 537 1HD1 LEU 537 7.452 4.872 -1.902 111 HD12 LEU 537 2HD1 LEU 537 7.205 4.565 -3.635 112 HD13 LEU 537 3HD1 LEU 537 8.802 4.322 -2.877 113 HD21 LEU 537 3HD2 LEU 537 9.839 5.730 -4.577 114 HD22 LEU 537 1HD2 LEU 537 8.328 6.223 -5.356 115 HD23 LEU 537 2HD2 LEU 537 9.426 7.452 -4.681 116 H ALA 538 H ALA 538 6.442 9.982 -2.596 117 HA ALA 538 HA ALA 538 8.425 10.885 -0.748 118 HB1 ALA 538 1HB ALA 538 7.506 13.160 -1.342 119 HB2 ALA 538 2HB ALA 538 7.928 12.153 -2.741 120 HB3 ALA 538 3HB ALA 538 6.224 12.346 -2.257 121 H HIS 539 H HIS 539 4.848 10.823 -0.552 122 HA HIS 539 HA HIS 539 4.493 12.294 1.797 123 HD1 HIS 539 1HD HIS 539 1.384 13.323 0.575 124 HD2 HIS 539 2HD HIS 539 1.732 10.331 3.585 125 HE1 HIS 539 1HE HIS 539 -0.219 13.971 2.431 126 HE2 HIS 539 2HE HIS 539 -0.002 12.236 4.301 127 HB2 HIS 539 1HB HIS 539 2.848 11.144 0.039 128 HB3 HIS 539 2HB HIS 539 2.808 9.834 1.179 129 H ALA 540 H ALA 540 5.032 8.842 1.366 130 HA ALA 540 HA ALA 540 5.010 8.038 4.119 131 HB1 ALA 540 1HB ALA 540 4.858 6.460 2.167 132 HB2 ALA 540 2HB ALA 540 6.553 6.790 1.777 133 HB3 ALA 540 3HB ALA 540 6.141 6.015 3.311 134 H GLU 541 H GLU 541 7.905 8.776 1.972 135 HA GLU 541 HA GLU 541 9.891 8.476 3.747 136 HB2 GLU 541 1HB GLU 541 9.492 9.137 1.068 137 HB3 GLU 541 2HB GLU 541 9.941 10.708 1.704 138 HG2 GLU 541 1HG GLU 541 11.812 9.473 2.909 139 HG3 GLU 541 2HG GLU 541 11.510 8.141 1.873 140 H GLU 542 H GLU 542 8.137 11.423 2.886 141 HA GLU 542 HA GLU 542 9.417 13.343 4.368 142 HB2 GLU 542 1HB GLU 542 7.915 13.800 2.544 143 HB3 GLU 542 2HB GLU 542 6.571 12.967 3.346 144 HG2 GLU 542 1HG GLU 542 6.283 14.716 4.934 145 HG3 GLU 542 2HG GLU 542 7.805 15.484 4.441 146 H THR 543 H THR 543 6.560 11.382 5.282 147 HA THR 543 HA THR 543 6.421 12.741 7.888 148 HB THR 543 HB THR 543 4.528 11.179 8.321 149 HG1 THR 543 1HG THR 543 4.806 10.445 5.586 150 HG21 THR 543 3HG2 THR 543 4.132 13.407 7.345 151 HG22 THR 543 1HG2 THR 543 4.325 12.747 5.712 152 HG23 THR 543 2HG2 THR 543 2.967 12.216 6.730 153 H ARG 544 H ARG 544 6.062 9.356 7.708 154 HA ARG 544 HA ARG 544 8.280 8.108 7.891 155 HE ARG 544 HE ARG 544 5.637 8.896 12.941 156 HB2 ARG 544 1HB ARG 544 9.054 7.556 9.988 157 HB3 ARG 544 2HB ARG 544 9.128 9.278 9.823 158 HG2 ARG 544 1HG ARG 544 7.363 7.599 11.574 159 HG3 ARG 544 2HG ARG 544 8.376 9.025 11.918 160 HD2 ARG 544 1HD ARG 544 6.846 10.371 10.609 161 HD3 ARG 544 2HD ARG 544 5.774 8.992 10.450 162 HH11 ARG 544 2HH2 ARG 544 6.962 11.986 11.782 163 HH12 ARG 544 1HH2 ARG 544 5.960 12.994 12.744 164 HH21 ARG 544 2HH1 ARG 544 4.575 10.219 14.588 165 HH22 ARG 544 1HH1 ARG 544 4.648 11.934 14.444 166 H LYS 545 H LYS 545 5.429 7.928 7.227 167 HA LYS 545 HA LYS 545 4.214 6.030 9.137 168 HB2 LYS 545 1HB LYS 545 3.211 7.349 6.575 169 HB3 LYS 545 2HB LYS 545 2.279 6.193 7.513 170 HG2 LYS 545 1HG LYS 545 2.259 7.674 9.449 171 HG3 LYS 545 2HG LYS 545 3.345 8.821 8.648 172 HD2 LYS 545 1HD LYS 545 1.712 9.304 6.930 173 HD3 LYS 545 2HD LYS 545 0.611 8.064 7.559 174 HE2 LYS 545 1HE LYS 545 0.415 9.315 9.701 175 HE3 LYS 545 2HE LYS 545 1.518 10.547 9.071 176 HZ1 LYS 545 3HZ LYS 545 -0.594 11.378 8.740 177 HZ2 LYS 545 1HZ LYS 545 -0.179 10.822 7.235 178 HZ3 LYS 545 2HZ LYS 545 -1.233 9.988 8.153 179 H LEU 546 H LEU 546 3.091 4.043 7.900 180 HA LEU 546 HA LEU 546 5.418 2.577 6.865 181 HG LEU 546 HG LEU 546 5.478 0.413 7.650 182 HB2 LEU 546 1HB LEU 546 3.769 1.946 8.771 183 HB3 LEU 546 2HB LEU 546 2.657 1.501 7.532 184 HD11 LEU 546 1HD1 LEU 546 4.403 -0.055 9.793 185 HD12 LEU 546 2HD1 LEU 546 3.015 -0.803 8.957 186 HD13 LEU 546 3HD1 LEU 546 4.645 -1.524 8.864 187 HD21 LEU 546 3HD2 LEU 546 4.813 -0.474 5.651 188 HD22 LEU 546 1HD2 LEU 546 3.949 -1.634 6.645 189 HD23 LEU 546 2HD2 LEU 546 3.071 -0.242 6.000 190 H MET 547 H MET 547 5.292 1.407 4.843 191 HA MET 547 HA MET 547 3.066 2.120 2.997 192 HB2 MET 547 1HB MET 547 4.971 3.769 2.876 193 HB3 MET 547 2HB MET 547 6.027 2.451 2.360 194 HG2 MET 547 1HG MET 547 4.537 2.053 0.414 195 HG3 MET 547 2HG MET 547 3.472 3.344 1.010 196 HE1 MET 547 3HE MET 547 4.064 3.652 -1.904 197 HE2 MET 547 1HE MET 547 3.357 4.998 -0.974 198 HE3 MET 547 2HE MET 547 4.731 5.263 -2.072 199 HA PRO 548 HA PRO 548 4.208 -2.261 2.423 200 HB2 PRO 548 1HB PRO 548 1.773 -3.286 1.696 201 HB3 PRO 548 2HB PRO 548 2.246 -2.963 3.389 202 HG2 PRO 548 1HG PRO 548 0.618 -1.236 1.528 203 HG3 PRO 548 2HG PRO 548 0.275 -1.646 3.236 204 HD2 PRO 548 1HD PRO 548 1.466 0.718 2.465 205 HD3 PRO 548 2HD PRO 548 1.854 -0.083 4.012 206 H ILE 549 H ILE 549 4.604 -3.530 0.495 207 HA ILE 549 HA ILE 549 3.831 -2.336 -2.112 208 HB ILE 549 HB ILE 549 6.723 -2.943 -1.343 209 HG12 ILE 549 1HG1 ILE 549 6.808 -0.334 -2.009 210 HG13 ILE 549 2HG1 ILE 549 5.167 -0.361 -1.438 211 HG21 ILE 549 1HG2 ILE 549 7.234 -2.042 -3.571 212 HG22 ILE 549 2HG2 ILE 549 6.205 -3.443 -3.719 213 HG23 ILE 549 3HG2 ILE 549 5.498 -1.821 -3.894 214 HD11 ILE 549 3HD1 ILE 549 7.785 -0.877 -0.040 215 HD12 ILE 549 1HD1 ILE 549 6.456 0.249 0.300 216 HD13 ILE 549 2HD1 ILE 549 6.297 -1.513 0.668 217 H CYS 550 H CYS 550 3.239 -3.848 -3.602 218 HA CYS 550 HA CYS 550 3.511 -6.682 -2.957 219 HG CYS 550 HG CYS 550 2.652 -8.303 -5.128 220 HB2 CYS 550 1HB CYS 550 1.553 -5.300 -4.211 221 HB3 CYS 550 2HB CYS 550 2.530 -5.659 -5.627 222 H MET 551 H MET 551 5.455 -7.649 -3.384 223 HA MET 551 HA MET 551 7.506 -6.733 -5.113 224 HB2 MET 551 1HB MET 551 6.785 -9.466 -3.991 225 HB3 MET 551 2HB MET 551 8.217 -9.201 -4.981 226 HG2 MET 551 1HG MET 551 8.144 -7.197 -2.897 227 HG3 MET 551 2HG MET 551 7.868 -8.787 -2.190 228 HE1 MET 551 3HE MET 551 9.790 -10.341 -1.547 229 HE2 MET 551 1HE MET 551 11.379 -9.574 -1.394 230 HE3 MET 551 2HE MET 551 9.930 -8.744 -0.772 231 H ASP 552 H ASP 552 4.586 -8.320 -5.878 232 HA ASP 552 HA ASP 552 5.188 -9.692 -8.292 233 HB2 ASP 552 1HB ASP 552 3.065 -9.918 -7.055 234 HB3 ASP 552 2HB ASP 552 2.635 -8.248 -7.440 235 H VAL 553 H VAL 553 4.355 -6.276 -7.668 236 HA VAL 553 HA VAL 553 4.210 -5.733 -10.554 237 HB VAL 553 HB VAL 553 3.610 -3.907 -8.184 238 HG11 VAL 553 1HG1 VAL 553 2.926 -3.657 -11.161 239 HG12 VAL 553 2HG1 VAL 553 2.413 -2.544 -9.877 240 HG13 VAL 553 3HG1 VAL 553 4.123 -2.680 -10.287 241 HG21 VAL 553 3HG2 VAL 553 2.032 -5.780 -8.190 242 HG22 VAL 553 1HG2 VAL 553 1.211 -4.360 -8.848 243 HG23 VAL 553 2HG2 VAL 553 1.807 -5.631 -9.942 244 H ARG 554 H ARG 554 6.336 -6.314 -10.840 245 HA ARG 554 HA ARG 554 8.515 -5.050 -9.617 246 HE ARG 554 HE ARG 554 10.772 -8.977 -9.405 247 HB2 ARG 554 1HB ARG 554 8.311 -6.350 -12.344 248 HB3 ARG 554 2HB ARG 554 9.814 -5.640 -11.731 249 HG2 ARG 554 1HG ARG 554 9.474 -7.061 -9.624 250 HG3 ARG 554 2HG ARG 554 8.248 -7.963 -10.523 251 HD2 ARG 554 1HD ARG 554 9.808 -8.987 -11.888 252 HD3 ARG 554 2HD ARG 554 10.814 -7.540 -11.962 253 HH11 ARG 554 2HH2 ARG 554 12.516 -8.356 -12.470 254 HH12 ARG 554 1HH2 ARG 554 14.055 -8.793 -11.883 255 HH21 ARG 554 2HH1 ARG 554 12.919 -9.353 -8.556 256 HH22 ARG 554 1HH1 ARG 554 14.276 -9.472 -9.639 257 H ALA 555 H ALA 555 6.485 -3.699 -12.127 258 HA ALA 555 HA ALA 555 7.998 -1.474 -12.889 259 HB1 ALA 555 1HB ALA 555 5.742 -1.929 -13.753 260 HB2 ALA 555 2HB ALA 555 5.034 -1.589 -12.166 261 HB3 ALA 555 3HB ALA 555 5.823 -0.294 -13.085 262 H ILE 556 H ILE 556 6.091 -1.889 -9.853 263 HA ILE 556 HA ILE 556 6.813 0.708 -8.768 264 HB ILE 556 HB ILE 556 5.609 -1.770 -7.457 265 HG12 ILE 556 1HG1 ILE 556 4.375 0.905 -8.273 266 HG13 ILE 556 2HG1 ILE 556 4.141 -0.650 -9.084 267 HG21 ILE 556 1HG2 ILE 556 6.835 -0.566 -5.766 268 HG22 ILE 556 2HG2 ILE 556 6.131 0.996 -6.281 269 HG23 ILE 556 3HG2 ILE 556 5.134 -0.254 -5.516 270 HD11 ILE 556 3HD1 ILE 556 2.201 -0.337 -7.777 271 HD12 ILE 556 1HD1 ILE 556 3.177 -1.541 -6.918 272 HD13 ILE 556 2HD1 ILE 556 3.115 0.148 -6.349 273 H MET 557 H MET 557 7.948 -2.691 -8.331 274 HA MET 557 HA MET 557 9.815 -2.126 -6.322 275 HB2 MET 557 1HB MET 557 10.109 -4.210 -8.528 276 HB3 MET 557 2HB MET 557 11.043 -4.157 -7.045 277 HG2 MET 557 1HG MET 557 8.018 -4.546 -7.257 278 HG3 MET 557 2HG MET 557 9.206 -5.760 -6.823 279 HE1 MET 557 3HE MET 557 10.455 -4.582 -3.338 280 HE2 MET 557 1HE MET 557 10.896 -5.353 -4.874 281 HE3 MET 557 2HE MET 557 11.036 -3.582 -4.686 282 H ALA 558 H ALA 558 10.421 -2.090 -9.878 283 HA ALA 558 HA ALA 558 13.132 -1.233 -9.604 284 HB1 ALA 558 1HB ALA 558 12.978 -0.788 -12.019 285 HB2 ALA 558 2HB ALA 558 12.239 -2.342 -11.615 286 HB3 ALA 558 3HB ALA 558 11.203 -0.940 -11.944 287 H THR 559 H THR 559 10.062 0.581 -9.611 288 HA THR 559 HA THR 559 11.233 3.188 -9.839 289 HB THR 559 HB THR 559 8.605 1.966 -9.117 290 HG1 THR 559 1HG THR 559 7.969 3.166 -10.702 291 HG21 THR 559 3HG2 THR 559 8.699 3.462 -7.219 292 HG22 THR 559 1HG2 THR 559 9.262 4.796 -8.252 293 HG23 THR 559 2HG2 THR 559 7.621 4.127 -8.440 294 H ILE 560 H ILE 560 10.473 1.093 -6.980 295 HA ILE 560 HA ILE 560 11.432 3.040 -5.109 296 HB ILE 560 HB ILE 560 11.037 0.015 -4.958 297 HG12 ILE 560 1HG1 ILE 560 9.424 2.321 -3.763 298 HG13 ILE 560 2HG1 ILE 560 9.050 1.631 -5.333 299 HG21 ILE 560 1HG2 ILE 560 11.180 0.213 -2.500 300 HG22 ILE 560 2HG2 ILE 560 12.708 0.686 -3.226 301 HG23 ILE 560 3HG2 ILE 560 11.580 1.927 -2.634 302 HD11 ILE 560 3HD1 ILE 560 7.616 0.614 -3.810 303 HD12 ILE 560 1HD1 ILE 560 8.815 -0.611 -4.284 304 HD13 ILE 560 2HD1 ILE 560 8.931 0.189 -2.690 305 H GLN 561 H GLN 561 12.995 0.127 -6.563 306 HA GLN 561 HA GLN 561 15.492 0.469 -5.303 307 HB2 GLN 561 1HB GLN 561 14.724 -0.855 -7.926 308 HB3 GLN 561 2HB GLN 561 16.290 -1.078 -7.124 309 HG2 GLN 561 1HG GLN 561 15.269 -2.035 -5.185 310 HG3 GLN 561 2HG GLN 561 13.646 -1.719 -5.743 311 HE21 GLN 561 1HE2 GLN 561 15.633 -4.252 -5.397 312 HE22 GLN 561 2HE2 GLN 561 15.026 -5.269 -6.700 313 H ARG 562 H ARG 562 14.203 2.108 -8.094 314 HA ARG 562 HA ARG 562 16.618 3.479 -8.938 315 HE ARG 562 HE ARG 562 15.035 4.011 -13.389 316 HB2 ARG 562 1HB ARG 562 13.703 4.136 -9.140 317 HB3 ARG 562 2HB ARG 562 14.863 5.445 -9.341 318 HG2 ARG 562 1HG ARG 562 15.932 4.303 -11.183 319 HG3 ARG 562 2HG ARG 562 14.902 2.872 -10.950 320 HD2 ARG 562 1HD ARG 562 12.918 4.087 -11.546 321 HD3 ARG 562 2HD ARG 562 13.755 5.653 -11.460 322 HH11 ARG 562 2HH2 ARG 562 11.859 5.567 -13.018 323 HH12 ARG 562 1HH2 ARG 562 11.687 5.938 -14.704 324 HH21 ARG 562 2HH1 ARG 562 15.005 4.868 -15.451 325 HH22 ARG 562 1HH1 ARG 562 13.569 5.525 -16.163 326 H LYS 563 H LYS 563 14.168 4.506 -6.501 327 HA LYS 563 HA LYS 563 15.855 6.829 -5.815 328 HB2 LYS 563 1HB LYS 563 13.276 6.731 -6.249 329 HB3 LYS 563 2HB LYS 563 13.146 6.073 -4.638 330 HG2 LYS 563 1HG LYS 563 14.602 8.682 -5.183 331 HG3 LYS 563 2HG LYS 563 12.846 8.635 -5.046 332 HD2 LYS 563 1HD LYS 563 13.821 7.261 -2.755 333 HD3 LYS 563 2HD LYS 563 14.847 8.663 -2.930 334 HE2 LYS 563 1HE LYS 563 11.820 8.965 -3.079 335 HE3 LYS 563 2HE LYS 563 12.633 8.716 -1.529 336 HZ1 LYS 563 3HZ LYS 563 13.066 11.033 -3.299 337 HZ2 LYS 563 1HZ LYS 563 12.456 10.958 -1.730 338 HZ3 LYS 563 2HZ LYS 563 13.996 10.638 -1.994 339 H TYR 564 H TYR 564 15.160 3.778 -4.494 340 HA TYR 564 HA TYR 564 16.719 4.350 -2.026 341 HD1 TYR 564 2HD TYR 564 12.716 3.966 -3.260 342 HD2 TYR 564 1HD TYR 564 14.658 4.875 0.487 343 HE1 TYR 564 2HE TYR 564 10.953 5.641 -2.731 344 HE2 TYR 564 1HE TYR 564 12.859 6.481 1.009 345 HH TYR 564 HH TYR 564 11.031 7.660 0.162 346 HB2 TYR 564 1HB TYR 564 14.326 2.469 -2.295 347 HB3 TYR 564 2HB TYR 564 15.201 2.833 -0.839 348 H LYS 565 H LYS 565 18.532 3.600 -3.592 349 HA LYS 565 HA LYS 565 18.219 0.871 -4.505 350 HB2 LYS 565 1HB LYS 565 19.197 2.685 -5.914 351 HB3 LYS 565 2HB LYS 565 20.445 2.974 -4.703 352 HG2 LYS 565 1HG LYS 565 21.328 1.711 -6.581 353 HG3 LYS 565 2HG LYS 565 21.402 0.809 -5.068 354 HD2 LYS 565 1HD LYS 565 19.379 -0.521 -5.785 355 HD3 LYS 565 2HD LYS 565 19.284 0.472 -7.233 356 HE2 LYS 565 1HE LYS 565 21.678 -0.313 -7.727 357 HE3 LYS 565 2HE LYS 565 21.458 -1.502 -6.441 358 HZ1 LYS 565 3HZ LYS 565 19.539 -2.350 -7.676 359 HZ2 LYS 565 1HZ LYS 565 19.749 -1.215 -8.834 360 HZ3 LYS 565 2HZ LYS 565 20.892 -2.387 -8.639 361 H GLY 566 H GLY 566 20.137 2.413 -1.884 362 HA2 GLY 566 1HA GLY 566 22.047 0.345 -1.688 363 HA3 GLY 566 2HA GLY 566 21.597 1.461 -0.393 364 H ILE 567 H ILE 567 18.756 0.510 -0.505 365 HA ILE 567 HA ILE 567 18.852 -1.399 1.563 366 HB ILE 567 HB ILE 567 17.197 0.148 1.548 367 HG12 ILE 567 1HG1 ILE 567 16.442 -2.247 2.062 368 HG13 ILE 567 2HG1 ILE 567 15.340 -0.891 1.948 369 HG21 ILE 567 1HG2 ILE 567 16.395 -0.486 -1.308 370 HG22 ILE 567 2HG2 ILE 567 15.346 0.407 -0.211 371 HG23 ILE 567 3HG2 ILE 567 16.946 1.060 -0.625 372 HD11 ILE 567 3HD1 ILE 567 15.758 -2.562 -0.537 373 HD12 ILE 567 1HD1 ILE 567 14.640 -3.099 0.763 374 HD13 ILE 567 2HD1 ILE 567 14.400 -1.550 -0.070 375 H LYS 568 H LYS 568 17.976 -3.541 1.657 376 HA LYS 568 HA LYS 568 18.368 -5.159 -0.836 377 HB2 LYS 568 1HB LYS 568 18.392 -6.034 2.093 378 HB3 LYS 568 2HB LYS 568 18.669 -7.054 0.697 379 HG2 LYS 568 1HG LYS 568 20.512 -4.883 1.785 380 HG3 LYS 568 2HG LYS 568 20.725 -6.622 1.845 381 HD2 LYS 568 1HD LYS 568 22.170 -6.064 0.162 382 HD3 LYS 568 2HD LYS 568 20.738 -6.528 -0.769 383 HE2 LYS 568 1HE LYS 568 20.140 -4.219 -1.153 384 HE3 LYS 568 2HE LYS 568 21.321 -3.662 0.049 385 HZ1 LYS 568 3HZ LYS 568 21.949 -4.851 -2.581 386 HZ2 LYS 568 1HZ LYS 568 22.157 -3.292 -2.100 387 HZ3 LYS 568 2HZ LYS 568 23.061 -4.463 -1.406 388 H ILE 569 H ILE 569 16.396 -5.731 -1.751 389 HA ILE 569 HA ILE 569 13.947 -5.353 -0.213 390 HB ILE 569 HB ILE 569 14.449 -6.662 -2.912 391 HG12 ILE 569 1HG1 ILE 569 15.125 -4.308 -2.986 392 HG13 ILE 569 2HG1 ILE 569 13.672 -4.580 -3.934 393 HG21 ILE 569 1HG2 ILE 569 12.074 -6.396 -3.334 394 HG22 ILE 569 2HG2 ILE 569 12.327 -7.390 -1.909 395 HG23 ILE 569 3HG2 ILE 569 11.818 -5.711 -1.708 396 HD11 ILE 569 3HD1 ILE 569 12.290 -3.466 -2.404 397 HD12 ILE 569 1HD1 ILE 569 13.449 -3.570 -1.083 398 HD13 ILE 569 2HD1 ILE 569 13.755 -2.473 -2.449 399 H GLN 570 H GLN 570 12.858 -6.801 0.944 400 HA GLN 570 HA GLN 570 13.437 -9.663 0.846 401 HB2 GLN 570 1HB GLN 570 13.867 -9.736 3.241 402 HB3 GLN 570 2HB GLN 570 14.945 -8.526 2.579 403 HG2 GLN 570 1HG GLN 570 12.691 -6.979 3.212 404 HG3 GLN 570 2HG GLN 570 12.629 -8.234 4.439 405 HE21 GLN 570 1HE2 GLN 570 15.077 -6.104 2.807 406 HE22 GLN 570 2HE2 GLN 570 15.580 -5.348 4.244 407 H GLU 571 H GLU 571 11.587 -10.842 2.119 408 HA GLU 571 HA GLU 571 9.150 -9.262 1.777 409 HB2 GLU 571 1HB GLU 571 9.971 -12.183 2.087 410 HB3 GLU 571 2HB GLU 571 8.470 -11.644 2.762 411 HG2 GLU 571 1HG GLU 571 7.956 -10.653 0.402 412 HG3 GLU 571 2HG GLU 571 9.235 -11.778 -0.120 413 H GLY 572 H GLY 572 9.452 -7.735 3.522 414 HA2 GLY 572 1HA GLY 572 8.816 -8.357 6.141 415 HA3 GLY 572 2HA GLY 572 10.580 -8.452 6.071 416 H ILE 573 H ILE 573 9.546 -6.524 7.713 417 HA ILE 573 HA ILE 573 9.158 -4.008 6.458 418 HB ILE 573 HB ILE 573 10.119 -4.739 9.232 419 HG12 ILE 573 1HG1 ILE 573 7.539 -3.614 8.075 420 HG13 ILE 573 2HG1 ILE 573 7.795 -5.246 8.710 421 HG21 ILE 573 1HG2 ILE 573 11.189 -2.614 8.845 422 HG22 ILE 573 2HG2 ILE 573 9.720 -1.916 8.169 423 HG23 ILE 573 3HG2 ILE 573 9.826 -2.341 9.890 424 HD11 ILE 573 3HD1 ILE 573 7.621 -2.657 10.235 425 HD12 ILE 573 1HD1 ILE 573 6.537 -4.055 10.289 426 HD13 ILE 573 2HD1 ILE 573 8.175 -4.195 10.971 427 H VAL 574 H VAL 574 10.442 -2.482 5.854 428 HA VAL 574 HA VAL 574 13.393 -2.770 5.979 429 HB VAL 574 HB VAL 574 11.511 -2.382 3.659 430 HG11 VAL 574 1HG1 VAL 574 12.844 -0.294 3.591 431 HG12 VAL 574 2HG1 VAL 574 14.321 -1.250 3.773 432 HG13 VAL 574 3HG1 VAL 574 13.306 -1.387 2.305 433 HG21 VAL 574 3HG2 VAL 574 13.158 -3.859 2.555 434 HG22 VAL 574 1HG2 VAL 574 14.174 -3.763 4.005 435 HG23 VAL 574 2HG2 VAL 574 12.578 -4.552 4.073 436 H ASP 575 H ASP 575 13.780 -1.335 7.566 437 HA ASP 575 HA ASP 575 12.465 1.275 7.693 438 HB2 ASP 575 1HB ASP 575 14.909 0.459 9.330 439 HB3 ASP 575 2HB ASP 575 13.522 1.431 9.738 440 H TYR 576 H TYR 576 13.069 1.948 5.523 441 HA TYR 576 HA TYR 576 15.802 2.998 5.483 442 HD1 TYR 576 1HD TYR 576 18.212 2.145 4.635 443 HD2 TYR 576 2HD TYR 576 15.448 2.433 1.360 444 HE1 TYR 576 1HE TYR 576 19.957 3.287 3.297 445 HE2 TYR 576 2HE TYR 576 17.227 3.532 -0.031 446 HH TYR 576 HH TYR 576 20.240 4.589 1.200 447 HB2 TYR 576 1HB TYR 576 16.055 0.768 4.480 448 HB3 TYR 576 2HB TYR 576 14.850 1.181 3.266 449 H GLY 577 H GLY 577 15.068 5.028 5.552 450 HA2 GLY 577 1HA GLY 577 14.415 7.045 4.584 451 HA3 GLY 577 2HA GLY 577 13.914 6.195 3.124 452 H VAL 578 H VAL 578 11.850 4.745 3.356 453 HA VAL 578 HA VAL 578 9.800 5.873 5.028 454 HB VAL 578 HB VAL 578 9.033 6.111 2.773 455 HG11 VAL 578 1HG1 VAL 578 9.652 5.297 0.828 456 HG12 VAL 578 2HG1 VAL 578 10.831 6.183 1.728 457 HG13 VAL 578 3HG1 VAL 578 11.025 4.430 1.693 458 HG21 VAL 578 3HG2 VAL 578 8.750 3.232 2.901 459 HG22 VAL 578 1HG2 VAL 578 7.671 4.356 3.767 460 HG23 VAL 578 2HG2 VAL 578 7.777 4.427 1.992 461 H ARG 579 H ARG 579 8.650 4.273 6.119 462 HA ARG 579 HA ARG 579 10.035 1.748 6.744 463 HE ARG 579 HE ARG 579 7.455 4.485 9.963 464 HB2 ARG 579 1HB ARG 579 7.500 3.171 7.645 465 HB3 ARG 579 2HB ARG 579 7.787 1.464 8.050 466 HG2 ARG 579 1HG ARG 579 10.056 2.167 8.950 467 HG3 ARG 579 2HG ARG 579 9.521 3.855 8.819 468 HD2 ARG 579 1HD ARG 579 8.063 1.664 10.333 469 HD3 ARG 579 2HD ARG 579 9.232 2.756 11.097 470 HH11 ARG 579 2HH2 ARG 579 7.179 1.752 12.262 471 HH12 ARG 579 1HH2 ARG 579 6.204 2.698 13.346 472 HH21 ARG 579 2HH1 ARG 579 5.857 5.425 11.154 473 HH22 ARG 579 1HH1 ARG 579 4.938 4.520 12.360 474 H PHE 580 H PHE 580 10.071 0.482 4.965 475 HA PHE 580 HA PHE 580 7.654 0.274 3.242 476 HD1 PHE 580 2HD PHE 580 7.733 1.316 1.382 477 HD2 PHE 580 1HD PHE 580 11.971 1.018 1.963 478 HE1 PHE 580 2HE PHE 580 8.195 3.450 0.216 479 HE2 PHE 580 1HE PHE 580 12.327 2.717 0.275 480 HZ PHE 580 HZ PHE 580 10.370 3.934 -0.640 481 HB2 PHE 580 1HB PHE 580 10.518 -0.650 2.974 482 HB3 PHE 580 2HB PHE 580 9.260 -1.206 1.888 483 H PHE 581 H PHE 581 6.635 -1.776 2.881 484 HA PHE 581 HA PHE 581 7.382 -4.052 4.654 485 HD1 PHE 581 1HD PHE 581 6.862 -5.017 6.594 486 HD2 PHE 581 2HD PHE 581 2.872 -4.577 5.047 487 HE1 PHE 581 1HE PHE 581 6.121 -6.893 8.016 488 HE2 PHE 581 2HE PHE 581 2.148 -6.495 6.425 489 HZ PHE 581 HZ PHE 581 3.761 -7.623 7.962 490 HB2 PHE 581 1HB PHE 581 5.691 -2.678 5.752 491 HB3 PHE 581 2HB PHE 581 4.563 -2.963 4.444 492 H PHE 582 H PHE 582 8.189 -5.135 2.770 493 HA PHE 582 HA PHE 582 6.652 -5.104 0.257 494 HD1 PHE 582 2HD PHE 582 8.419 -4.263 -1.845 495 HD2 PHE 582 1HD PHE 582 10.591 -4.697 1.847 496 HE1 PHE 582 2HE PHE 582 9.667 -2.156 -2.326 497 HE2 PHE 582 1HE PHE 582 11.827 -2.608 1.337 498 HZ PHE 582 HZ PHE 582 11.425 -1.338 -0.703 499 HB2 PHE 582 1HB PHE 582 9.186 -6.468 1.057 500 HB3 PHE 582 2HB PHE 582 8.546 -6.494 -0.583 501 H TYR 583 H TYR 583 5.487 -6.901 -0.590 502 HA TYR 583 HA TYR 583 5.511 -9.429 0.973 503 HD1 TYR 583 1HD TYR 583 1.739 -9.233 -0.893 504 HD2 TYR 583 2HD TYR 583 3.358 -5.713 0.974 505 HE1 TYR 583 1HE TYR 583 0.219 -7.877 -2.222 506 HE2 TYR 583 2HE TYR 583 1.788 -4.295 -0.357 507 HH TYR 583 HH TYR 583 -0.275 -5.606 -2.883 508 HB2 TYR 583 1HB TYR 583 3.103 -9.397 1.148 509 HB3 TYR 583 2HB TYR 583 3.761 -7.971 1.925 510 H THR 584 H THR 584 4.132 -11.173 -0.098 511 HA THR 584 HA THR 584 4.610 -11.140 -3.012 512 HB THR 584 HB THR 584 4.123 -13.670 -2.550 513 HG1 THR 584 1HG THR 584 5.163 -13.111 0.010 514 HG21 THR 584 3HG2 THR 584 6.232 -12.901 -3.362 515 HG22 THR 584 1HG2 THR 584 6.682 -12.220 -1.792 516 HG23 THR 584 2HG2 THR 584 6.563 -13.988 -2.005 517 H SER 585 H SER 585 2.851 -11.626 -4.480 518 HA SER 585 HA SER 585 0.278 -10.781 -3.438 519 HG SER 585 HG SER 585 0.810 -11.905 -7.243 520 HB2 SER 585 1HB SER 585 -0.472 -11.266 -5.751 521 HB3 SER 585 2HB SER 585 0.797 -10.053 -5.636 522 H LYS 586 H LYS 586 1.926 -13.879 -3.952 523 HA LYS 586 HA LYS 586 -0.457 -15.461 -4.123 524 HB2 LYS 586 1HB LYS 586 2.371 -16.133 -3.258 525 HB3 LYS 586 2HB LYS 586 1.053 -17.310 -3.148 526 HG2 LYS 586 1HG LYS 586 0.518 -16.864 -5.572 527 HG3 LYS 586 2HG LYS 586 2.010 -15.929 -5.691 528 HD2 LYS 586 1HD LYS 586 1.790 -18.871 -4.897 529 HD3 LYS 586 2HD LYS 586 2.152 -18.268 -6.521 530 HE2 LYS 586 1HE LYS 586 4.170 -17.077 -5.565 531 HE3 LYS 586 2HE LYS 586 3.855 -17.891 -4.019 532 HZ1 LYS 586 3HZ LYS 586 4.098 -19.998 -5.172 533 HZ2 LYS 586 1HZ LYS 586 4.463 -19.214 -6.585 534 HZ3 LYS 586 2HZ LYS 586 5.468 -19.093 -5.266 535 H GLU 587 H GLU 587 1.181 -14.031 -1.279 536 HA GLU 587 HA GLU 587 -0.052 -15.747 0.590 537 HB2 GLU 587 1HB GLU 587 1.952 -14.222 0.962 538 HB3 GLU 587 2HB GLU 587 0.812 -12.863 1.140 539 HG2 GLU 587 1HG GLU 587 -0.142 -13.793 3.106 540 HG3 GLU 587 2HG GLU 587 0.415 -15.414 2.683 541 HA PRO 588 HA PRO 588 -4.289 -14.600 0.127 542 HB2 PRO 588 1HB PRO 588 -4.647 -14.739 3.106 543 HB3 PRO 588 2HB PRO 588 -5.548 -15.581 1.818 544 HG2 PRO 588 1HG PRO 588 -3.664 -16.820 3.394 545 HG3 PRO 588 2HG PRO 588 -3.942 -17.251 1.686 546 HD2 PRO 588 1HD PRO 588 -1.752 -15.620 2.892 547 HD3 PRO 588 2HD PRO 588 -1.685 -16.748 1.504 548 H VAL 589 H VAL 589 -5.260 -12.600 -0.089 549 HA VAL 589 HA VAL 589 -4.275 -10.239 1.007 550 HB VAL 589 HB VAL 589 -7.220 -10.819 0.403 551 HG11 VAL 589 1HG1 VAL 589 -5.691 -8.163 0.350 552 HG12 VAL 589 2HG1 VAL 589 -7.415 -8.421 -0.043 553 HG13 VAL 589 3HG1 VAL 589 -6.839 -8.655 1.605 554 HG21 VAL 589 3HG2 VAL 589 -4.998 -9.759 -1.354 555 HG22 VAL 589 1HG2 VAL 589 -5.816 -11.336 -1.563 556 HG23 VAL 589 2HG2 VAL 589 -6.693 -9.831 -1.838 557 H ALA 590 H ALA 590 -6.627 -12.469 2.470 558 HA ALA 590 HA ALA 590 -7.304 -11.027 4.779 559 HB1 ALA 590 1HB ALA 590 -8.336 -13.175 4.039 560 HB2 ALA 590 2HB ALA 590 -6.838 -14.014 4.466 561 HB3 ALA 590 3HB ALA 590 -7.787 -13.219 5.736 562 H SER 591 H SER 591 -4.578 -13.437 4.427 563 HA SER 591 HA SER 591 -3.722 -13.015 7.133 564 HG SER 591 HG SER 591 -1.561 -15.519 6.893 565 HB2 SER 591 1HB SER 591 -3.328 -15.078 5.746 566 HB3 SER 591 2HB SER 591 -2.092 -14.183 4.839 567 H ILE 592 H ILE 592 -2.566 -11.714 3.937 568 HA ILE 592 HA ILE 592 -0.491 -10.283 5.085 569 HB ILE 592 HB ILE 592 -1.498 -11.038 2.562 570 HG12 ILE 592 1HG1 ILE 592 0.810 -11.152 3.379 571 HG13 ILE 592 2HG1 ILE 592 0.677 -10.535 1.729 572 HG21 ILE 592 1HG2 ILE 592 -1.262 -9.176 1.085 573 HG22 ILE 592 2HG2 ILE 592 -2.701 -9.040 2.132 574 HG23 ILE 592 3HG2 ILE 592 -1.267 -8.049 2.457 575 HD11 ILE 592 3HD1 ILE 592 0.790 -8.656 4.088 576 HD12 ILE 592 1HD1 ILE 592 2.265 -9.305 3.350 577 HD13 ILE 592 2HD1 ILE 592 1.132 -8.310 2.400 578 H ILE 593 H ILE 593 -3.864 -9.442 4.768 579 HA ILE 593 HA ILE 593 -3.423 -6.737 5.744 580 HB ILE 593 HB ILE 593 -5.890 -8.443 5.338 581 HG12 ILE 593 1HG1 ILE 593 -4.822 -5.803 4.202 582 HG13 ILE 593 2HG1 ILE 593 -4.792 -7.355 3.386 583 HG21 ILE 593 1HG2 ILE 593 -6.327 -7.179 7.388 584 HG22 ILE 593 2HG2 ILE 593 -5.785 -5.670 6.613 585 HG23 ILE 593 3HG2 ILE 593 -7.260 -6.499 6.077 586 HD11 ILE 593 3HD1 ILE 593 -6.582 -6.149 2.415 587 HD12 ILE 593 1HD1 ILE 593 -7.351 -7.343 3.484 588 HD13 ILE 593 2HD1 ILE 593 -7.225 -5.641 3.980 589 H THR 594 H THR 594 -4.826 -9.595 7.475 590 HA THR 594 HA THR 594 -4.795 -9.048 10.049 591 HB THR 594 HB THR 594 -3.119 -11.403 9.025 592 HG1 THR 594 1HG THR 594 -5.213 -11.259 7.982 593 HG21 THR 594 3HG2 THR 594 -4.944 -11.191 11.479 594 HG22 THR 594 1HG2 THR 594 -3.979 -12.603 11.003 595 HG23 THR 594 2HG2 THR 594 -3.178 -11.122 11.538 596 H LYS 595 H LYS 595 -1.642 -9.823 8.488 597 HA LYS 595 HA LYS 595 -0.168 -9.604 10.852 598 HB2 LYS 595 1HB LYS 595 1.689 -10.116 9.499 599 HB3 LYS 595 2HB LYS 595 0.242 -10.901 8.891 600 HG2 LYS 595 1HG LYS 595 0.012 -8.931 7.474 601 HG3 LYS 595 2HG LYS 595 1.704 -8.527 7.751 602 HD2 LYS 595 1HD LYS 595 0.591 -11.182 6.718 603 HD3 LYS 595 2HD LYS 595 1.368 -9.904 5.708 604 HE2 LYS 595 1HE LYS 595 3.292 -10.025 7.363 605 HE3 LYS 595 2HE LYS 595 2.716 -11.653 7.731 606 HZ1 LYS 595 3HZ LYS 595 3.619 -10.658 5.080 607 HZ2 LYS 595 1HZ LYS 595 4.348 -11.764 6.023 608 HZ3 LYS 595 2HZ LYS 595 2.915 -12.137 5.296 609 H LEU 596 H LEU 596 -0.742 -7.362 8.286 610 HA LEU 596 HA LEU 596 0.760 -5.114 9.229 611 HG LEU 596 HG LEU 596 -2.201 -3.975 7.838 612 HB2 LEU 596 1HB LEU 596 0.469 -5.062 6.973 613 HB3 LEU 596 2HB LEU 596 -1.004 -6.006 7.015 614 HD11 LEU 596 1HD1 LEU 596 0.155 -2.506 6.570 615 HD12 LEU 596 2HD1 LEU 596 -1.138 -1.862 7.635 616 HD13 LEU 596 3HD1 LEU 596 0.165 -2.873 8.286 617 HD21 LEU 596 3HD2 LEU 596 -1.039 -3.843 5.034 618 HD22 LEU 596 1HD2 LEU 596 -2.393 -4.862 5.544 619 HD23 LEU 596 2HD2 LEU 596 -2.557 -3.101 5.598 620 H ASN 597 H ASN 597 -2.596 -6.284 9.668 621 HA ASN 597 HA ASN 597 -3.670 -4.038 11.029 622 HB2 ASN 597 1HB ASN 597 -4.304 -6.964 11.609 623 HB3 ASN 597 2HB ASN 597 -5.230 -5.596 12.094 624 HD21 ASN 597 1HD2 ASN 597 -6.672 -7.424 10.766 625 HD22 ASN 597 2HD2 ASN 597 -7.024 -6.834 9.169 626 H SER 598 H SER 598 -1.394 -6.449 12.079 627 HA SER 598 HA SER 598 -1.822 -6.160 14.901 628 HG SER 598 HG SER 598 1.084 -7.364 12.743 629 HB2 SER 598 1HB SER 598 -0.295 -7.822 15.134 630 HB3 SER 598 2HB SER 598 -0.779 -8.135 13.480 631 H LEU 599 H LEU 599 0.534 -5.049 12.622 632 HA LEU 599 HA LEU 599 2.262 -3.476 14.165 633 HG LEU 599 HG LEU 599 2.105 -5.130 11.338 634 HB2 LEU 599 1HB LEU 599 1.319 -2.838 11.339 635 HB3 LEU 599 2HB LEU 599 2.778 -2.227 12.087 636 HD11 LEU 599 1HD1 LEU 599 2.652 -3.593 9.437 637 HD12 LEU 599 2HD1 LEU 599 4.220 -3.270 10.213 638 HD13 LEU 599 3HD1 LEU 599 3.830 -4.899 9.635 639 HD21 LEU 599 3HD2 LEU 599 4.476 -5.661 11.905 640 HD22 LEU 599 1HD2 LEU 599 4.641 -4.031 12.595 641 HD23 LEU 599 2HD2 LEU 599 3.530 -5.219 13.319 642 H ASN 600 H ASN 600 -0.628 -2.475 12.429 643 HA ASN 600 HA ASN 600 -2.266 -0.975 12.835 644 HB2 ASN 600 1HB ASN 600 -1.839 -1.868 15.254 645 HB3 ASN 600 2HB ASN 600 -1.185 -0.256 15.534 646 HD21 ASN 600 1HD2 ASN 600 -3.603 -1.481 16.748 647 HD22 ASN 600 2HD2 ASN 600 -4.921 -0.441 16.212 648 H GLU 601 H GLU 601 0.568 -0.212 11.836 649 HA GLU 601 HA GLU 601 0.726 2.556 12.603 650 HB2 GLU 601 1HB GLU 601 2.313 0.837 10.703 651 HB3 GLU 601 2HB GLU 601 2.511 2.598 10.710 652 HG2 GLU 601 1HG GLU 601 2.768 0.789 13.112 653 HG3 GLU 601 2HG GLU 601 4.135 1.477 12.216 654 HA PRO 602 HA PRO 602 -1.821 4.231 9.310 655 HB2 PRO 602 1HB PRO 602 0.317 6.261 8.905 656 HB3 PRO 602 2HB PRO 602 -1.406 6.520 9.275 657 HG2 PRO 602 1HG PRO 602 0.625 6.875 11.117 658 HG3 PRO 602 2HG PRO 602 -1.017 6.320 11.574 659 HD2 PRO 602 1HD PRO 602 1.502 4.691 11.313 660 HD3 PRO 602 2HD PRO 602 0.118 4.538 12.426 661 H LEU 603 H LEU 603 -1.881 3.722 7.138 662 HA LEU 603 HA LEU 603 0.684 3.286 5.706 663 HG LEU 603 HG LEU 603 -1.790 1.272 6.906 664 HB2 LEU 603 1HB LEU 603 -2.021 2.366 4.690 665 HB3 LEU 603 2HB LEU 603 -0.428 1.781 4.237 666 HD11 LEU 603 1HD1 LEU 603 -1.349 -0.708 4.639 667 HD12 LEU 603 2HD1 LEU 603 -2.353 -0.883 6.098 668 HD13 LEU 603 3HD1 LEU 603 -2.844 0.215 4.818 669 HD21 LEU 603 3HD2 LEU 603 0.815 1.305 6.657 670 HD22 LEU 603 1HD2 LEU 603 0.069 -0.024 7.495 671 HD23 LEU 603 2HD2 LEU 603 0.605 -0.234 5.813 672 H VAL 604 H VAL 604 0.582 3.722 3.322 673 HA VAL 604 HA VAL 604 -1.477 5.517 2.284 674 HB VAL 604 HB VAL 604 0.264 6.975 3.356 675 HG11 VAL 604 1HG1 VAL 604 2.305 6.177 1.263 676 HG12 VAL 604 2HG1 VAL 604 2.505 7.170 2.710 677 HG13 VAL 604 3HG1 VAL 604 2.260 5.419 2.851 678 HG21 VAL 604 3HG2 VAL 604 0.652 8.538 1.669 679 HG22 VAL 604 1HG2 VAL 604 0.493 7.336 0.385 680 HG23 VAL 604 2HG2 VAL 604 -0.941 7.795 1.329 681 H THR 605 H THR 605 -2.057 3.939 0.628 682 HA THR 605 HA THR 605 -0.020 2.943 -1.123 683 HB THR 605 HB THR 605 0.238 1.487 0.962 684 HG1 THR 605 1HG THR 605 1.085 0.911 -0.892 685 HG21 THR 605 3HG2 THR 605 -1.717 0.746 1.848 686 HG22 THR 605 1HG2 THR 605 -2.560 0.623 0.280 687 HG23 THR 605 2HG2 THR 605 -1.396 -0.598 0.754 688 H MET 606 H MET 606 -0.968 1.211 -2.607 689 HA MET 606 HA MET 606 -3.579 2.125 -3.568 690 HB2 MET 606 1HB MET 606 -1.379 0.371 -4.748 691 HB3 MET 606 2HB MET 606 -2.994 0.445 -5.428 692 HG2 MET 606 1HG MET 606 -2.605 3.071 -5.340 693 HG3 MET 606 2HG MET 606 -0.908 2.599 -5.346 694 HE1 MET 606 3HE MET 606 0.076 0.894 -7.285 695 HE2 MET 606 1HE MET 606 -1.321 -0.208 -7.205 696 HE3 MET 606 2HE MET 606 -0.833 0.486 -8.757 697 HA PRO 607 HA PRO 607 -5.682 -0.993 -1.611 698 HB2 PRO 607 1HB PRO 607 -7.275 -2.131 -3.664 699 HB3 PRO 607 2HB PRO 607 -7.640 -0.751 -2.600 700 HG2 PRO 607 1HG PRO 607 -6.596 -0.730 -5.402 701 HG3 PRO 607 2HG PRO 607 -7.666 0.458 -4.590 702 HD2 PRO 607 1HD PRO 607 -5.039 0.905 -5.050 703 HD3 PRO 607 2HD PRO 607 -5.799 1.525 -3.569 704 H ILE 608 H ILE 608 -5.106 -2.760 -0.792 705 HA ILE 608 HA ILE 608 -2.910 -4.169 -1.851 706 HB ILE 608 HB ILE 608 -4.604 -4.522 0.678 707 HG12 ILE 608 1HG1 ILE 608 -2.059 -2.980 0.061 708 HG13 ILE 608 2HG1 ILE 608 -3.618 -2.318 0.498 709 HG21 ILE 608 1HG2 ILE 608 -3.388 -6.621 0.281 710 HG22 ILE 608 2HG2 ILE 608 -1.874 -5.723 0.060 711 HG23 ILE 608 3HG2 ILE 608 -2.688 -5.771 1.644 712 HD11 ILE 608 3HD1 ILE 608 -1.709 -3.789 2.319 713 HD12 ILE 608 1HD1 ILE 608 -2.228 -2.101 2.389 714 HD13 ILE 608 2HD1 ILE 608 -3.395 -3.391 2.762 715 H GLY 609 H GLY 609 -6.298 -5.137 -1.461 716 HA2 GLY 609 1HA GLY 609 -5.719 -7.703 -2.830 717 HA3 GLY 609 2HA GLY 609 -7.174 -7.334 -1.894 718 H TYR 610 H TYR 610 -5.380 -6.276 -4.760 719 HA TYR 610 HA TYR 610 -7.924 -5.675 -6.192 720 HD1 TYR 610 2HD TYR 610 -9.249 -4.384 -7.119 721 HD2 TYR 610 1HD TYR 610 -5.650 -2.096 -7.964 722 HE1 TYR 610 2HE TYR 610 -10.463 -2.934 -8.596 723 HE2 TYR 610 1HE TYR 610 -6.877 -0.845 -9.693 724 HH TYR 610 HH TYR 610 -10.282 -1.645 -10.494 725 HB2 TYR 610 1HB TYR 610 -6.925 -3.530 -5.322 726 HB3 TYR 610 2HB TYR 610 -5.524 -3.840 -6.339 727 H VAL 611 H VAL 611 -6.437 -4.928 -8.546 728 HA VAL 611 HA VAL 611 -5.725 -6.955 -10.077 729 HB VAL 611 HB VAL 611 -4.259 -4.330 -9.648 730 HG11 VAL 611 1HG1 VAL 611 -4.085 -5.999 -12.182 731 HG12 VAL 611 2HG1 VAL 611 -3.324 -4.429 -11.860 732 HG13 VAL 611 3HG1 VAL 611 -2.779 -5.851 -10.980 733 HG21 VAL 611 3HG2 VAL 611 -5.601 -3.497 -11.517 734 HG22 VAL 611 1HG2 VAL 611 -6.340 -5.094 -11.746 735 HG23 VAL 611 2HG2 VAL 611 -6.685 -4.151 -10.291 736 H THR 612 H THR 612 -3.524 -5.711 -7.557 737 HA THR 612 HA THR 612 -1.232 -7.216 -7.899 738 HB THR 612 HB THR 612 -1.216 -6.908 -5.310 739 HG1 THR 612 1HG THR 612 -2.918 -5.231 -4.798 740 HG21 THR 612 3HG2 THR 612 -0.928 -4.461 -5.484 741 HG22 THR 612 1HG2 THR 612 -0.185 -5.280 -6.873 742 HG23 THR 612 2HG2 THR 612 -1.737 -4.444 -7.059 743 H HIS 613 H HIS 613 -4.286 -8.152 -6.404 744 HA HIS 613 HA HIS 613 -3.316 -10.891 -5.864 745 HD1 HIS 613 1HD HIS 613 -2.958 -8.081 -3.005 746 HD2 HIS 613 2HD HIS 613 -3.605 -12.267 -2.897 747 HE1 HIS 613 1HE HIS 613 -1.384 -9.069 -1.192 748 HE2 HIS 613 2HE HIS 613 -1.798 -11.648 -1.208 749 HB2 HIS 613 1HB HIS 613 -5.155 -9.066 -4.343 750 HB3 HIS 613 2HB HIS 613 -5.355 -10.793 -4.188 751 H GLY 614 H GLY 614 -4.953 -9.424 -8.253 752 HA2 GLY 614 1HA GLY 614 -6.358 -10.326 -9.802 753 HA3 GLY 614 2HA GLY 614 -6.586 -11.764 -8.818 754 H PHE 615 H PHE 615 -7.297 -8.586 -7.395 755 HA PHE 615 HA PHE 615 -10.122 -9.512 -6.981 756 HD1 PHE 615 2HD PHE 615 -8.285 -10.817 -5.544 757 HD2 PHE 615 1HD PHE 615 -10.067 -7.741 -3.152 758 HE1 PHE 615 2HE PHE 615 -8.181 -12.310 -3.564 759 HE2 PHE 615 1HE PHE 615 -9.978 -9.191 -1.159 760 HZ PHE 615 HZ PHE 615 -8.988 -11.487 -1.345 761 HB2 PHE 615 1HB PHE 615 -8.186 -7.753 -5.599 762 HB3 PHE 615 2HB PHE 615 -9.895 -7.418 -5.395 763 H ASN 616 H ASN 616 -11.729 -7.875 -6.989 764 HA ASN 616 HA ASN 616 -11.362 -5.856 -9.169 765 HB2 ASN 616 1HB ASN 616 -13.362 -7.505 -9.269 766 HB3 ASN 616 2HB ASN 616 -14.002 -6.675 -7.856 767 HD21 ASN 616 1HD2 ASN 616 -15.762 -5.635 -8.753 768 HD22 ASN 616 2HD2 ASN 616 -15.598 -4.345 -9.919 769 H LEU 617 H LEU 617 -12.940 -3.865 -8.759 770 HA LEU 617 HA LEU 617 -11.523 -2.414 -6.737 771 HG LEU 617 HG LEU 617 -13.116 0.912 -7.439 772 HB2 LEU 617 1HB LEU 617 -12.653 -1.371 -8.859 773 HB3 LEU 617 2HB LEU 617 -14.138 -1.372 -7.927 774 HD11 LEU 617 1HD1 LEU 617 -13.910 -0.602 -5.602 775 HD12 LEU 617 2HD1 LEU 617 -12.199 -0.446 -5.165 776 HD13 LEU 617 3HD1 LEU 617 -13.334 0.994 -5.468 777 HD21 LEU 617 3HD2 LEU 617 -10.520 -0.511 -7.239 778 HD22 LEU 617 1HD2 LEU 617 -11.071 0.547 -8.534 779 HD23 LEU 617 2HD2 LEU 617 -10.854 1.195 -6.903 780 H GLU 618 H GLU 618 -14.999 -3.317 -6.902 781 HA GLU 618 HA GLU 618 -15.758 -2.557 -4.383 782 HB2 GLU 618 1HB GLU 618 -17.312 -3.449 -6.089 783 HB3 GLU 618 2HB GLU 618 -16.603 -5.067 -5.913 784 HG2 GLU 618 1HG GLU 618 -17.283 -5.137 -3.548 785 HG3 GLU 618 2HG GLU 618 -17.865 -3.477 -3.609 786 H GLU 619 H GLU 619 -14.429 -5.671 -5.335 787 HA GLU 619 HA GLU 619 -14.587 -6.976 -2.890 788 HB2 GLU 619 1HB GLU 619 -12.591 -7.304 -5.191 789 HB3 GLU 619 2HB GLU 619 -12.904 -8.528 -3.973 790 HG2 GLU 619 1HG GLU 619 -15.297 -7.484 -5.527 791 HG3 GLU 619 2HG GLU 619 -14.148 -8.390 -6.440 792 H ALA 620 H ALA 620 -11.769 -5.242 -4.345 793 HA ALA 620 HA ALA 620 -10.032 -5.345 -2.174 794 HB1 ALA 620 1HB ALA 620 -9.663 -4.341 -4.547 795 HB2 ALA 620 2HB ALA 620 -10.301 -2.837 -3.827 796 HB3 ALA 620 3HB ALA 620 -8.835 -3.627 -3.168 797 H ALA 621 H ALA 621 -12.368 -2.587 -2.784 798 HA ALA 621 HA ALA 621 -11.947 -1.103 -0.474 799 HB1 ALA 621 1HB ALA 621 -13.309 -0.309 -2.308 800 HB2 ALA 621 2HB ALA 621 -14.416 -1.689 -2.161 801 HB3 ALA 621 3HB ALA 621 -14.371 -0.462 -0.900 802 H ARG 622 H ARG 622 -14.148 -3.879 -0.948 803 HA ARG 622 HA ARG 622 -15.049 -3.682 1.738 804 HE ARG 622 HE ARG 622 -19.121 -6.473 0.501 805 HB2 ARG 622 1HB ARG 622 -15.276 -5.982 -0.243 806 HB3 ARG 622 2HB ARG 622 -16.129 -5.920 1.317 807 HG2 ARG 622 1HG ARG 622 -17.225 -3.788 0.645 808 HG3 ARG 622 2HG ARG 622 -16.401 -3.844 -0.903 809 HD2 ARG 622 1HD ARG 622 -18.275 -4.804 -1.632 810 HD3 ARG 622 2HD ARG 622 -17.505 -6.264 -1.053 811 HH11 ARG 622 2HH2 ARG 622 -19.406 -3.207 -0.873 812 HH12 ARG 622 1HH2 ARG 622 -20.819 -2.800 0.037 813 HH21 ARG 622 2HH1 ARG 622 -20.878 -5.808 1.883 814 HH22 ARG 622 1HH1 ARG 622 -21.644 -4.275 1.620 815 H CYS 623 H CYS 623 -12.470 -5.608 0.219 816 HA CYS 623 HA CYS 623 -11.876 -7.130 2.569 817 HG CYS 623 HG CYS 623 -9.337 -7.757 2.873 818 HB2 CYS 623 1HB CYS 623 -11.132 -7.520 0.112 819 HB3 CYS 623 2HB CYS 623 -9.791 -6.417 0.506 820 H MET 624 H MET 624 -10.729 -3.907 1.448 821 HA MET 624 HA MET 624 -8.721 -3.635 3.468 822 HB2 MET 624 1HB MET 624 -10.266 -1.380 2.134 823 HB3 MET 624 2HB MET 624 -8.834 -1.210 3.149 824 HG2 MET 624 1HG MET 624 -7.702 -2.828 1.384 825 HG3 MET 624 2HG MET 624 -9.060 -2.286 0.373 826 HE1 MET 624 3HE MET 624 -5.462 0.382 1.524 827 HE2 MET 624 1HE MET 624 -6.404 -0.380 2.828 828 HE3 MET 624 2HE MET 624 -5.479 -1.401 1.698 829 H ARG 625 H ARG 625 -12.253 -3.393 3.774 830 HA ARG 625 HA ARG 625 -12.220 -2.028 6.314 831 HE ARG 625 HE ARG 625 -17.444 -0.467 4.910 832 HB2 ARG 625 1HB ARG 625 -14.170 -3.986 5.034 833 HB3 ARG 625 2HB ARG 625 -14.419 -3.295 6.611 834 HG2 ARG 625 1HG ARG 625 -14.313 -0.995 5.623 835 HG3 ARG 625 2HG ARG 625 -14.157 -1.726 4.015 836 HD2 ARG 625 1HD ARG 625 -16.367 -2.076 3.877 837 HD3 ARG 625 2HD ARG 625 -16.392 -2.987 5.382 838 HH11 ARG 625 2HH2 ARG 625 -15.601 -2.073 7.490 839 HH12 ARG 625 1HH2 ARG 625 -16.385 -1.172 8.770 840 HH21 ARG 625 2HH1 ARG 625 -18.473 0.686 6.660 841 HH22 ARG 625 1HH1 ARG 625 -18.017 0.375 8.279 842 H SER 626 H SER 626 -11.046 -5.166 5.554 843 HA SER 626 HA SER 626 -11.417 -6.270 8.237 844 HG SER 626 HG SER 626 -9.919 -9.155 7.090 845 HB2 SER 626 1HB SER 626 -11.090 -7.572 6.079 846 HB3 SER 626 2HB SER 626 -9.388 -7.101 6.135 847 H LEU 627 H LEU 627 -9.263 -3.897 6.752 848 HA LEU 627 HA LEU 627 -7.057 -4.337 8.532 849 HG LEU 627 HG LEU 627 -6.349 -1.111 8.478 850 HB2 LEU 627 1HB LEU 627 -6.778 -3.226 6.322 851 HB3 LEU 627 2HB LEU 627 -7.895 -1.953 6.827 852 HD11 LEU 627 1HD1 LEU 627 -4.936 -2.906 9.175 853 HD12 LEU 627 2HD1 LEU 627 -4.494 -3.304 7.502 854 HD13 LEU 627 3HD1 LEU 627 -3.883 -1.833 8.271 855 HD21 LEU 627 3HD2 LEU 627 -5.128 -1.405 5.719 856 HD22 LEU 627 1HD2 LEU 627 -6.366 -0.222 6.219 857 HD23 LEU 627 2HD2 LEU 627 -4.745 -0.172 6.945 858 H LYS 628 H LYS 628 -6.528 -3.281 10.362 859 HA LYS 628 HA LYS 628 -8.680 -1.692 11.670 860 HB2 LYS 628 1HB LYS 628 -6.641 -3.418 13.034 861 HB3 LYS 628 2HB LYS 628 -8.021 -2.594 13.765 862 HG2 LYS 628 1HG LYS 628 -8.113 -4.880 11.756 863 HG3 LYS 628 2HG LYS 628 -8.424 -4.980 13.459 864 HD2 LYS 628 1HD LYS 628 -10.242 -3.148 11.904 865 HD3 LYS 628 2HD LYS 628 -10.347 -4.867 11.597 866 HE2 LYS 628 1HE LYS 628 -11.982 -4.287 13.248 867 HE3 LYS 628 2HE LYS 628 -10.757 -5.352 13.953 868 HZ1 LYS 628 3HZ LYS 628 -11.300 -3.536 15.438 869 HZ2 LYS 628 1HZ LYS 628 -9.759 -3.437 14.991 870 HZ3 LYS 628 2HZ LYS 628 -10.888 -2.406 14.321 871 H ALA 629 H ALA 629 -5.858 -1.066 10.164 872 HA ALA 629 HA ALA 629 -4.875 0.950 12.080 873 HB1 ALA 629 1HB ALA 629 -2.806 0.822 10.969 874 HB2 ALA 629 2HB ALA 629 -3.330 -0.872 10.972 875 HB3 ALA 629 3HB ALA 629 -3.502 0.115 9.505 876 HA PRO 630 HA PRO 630 -6.391 4.096 9.144 877 HB2 PRO 630 1HB PRO 630 -3.887 5.636 9.253 878 HB3 PRO 630 2HB PRO 630 -5.480 6.070 9.938 879 HG2 PRO 630 1HG PRO 630 -3.222 5.406 11.438 880 HG3 PRO 630 2HG PRO 630 -4.909 5.204 11.997 881 HD2 PRO 630 1HD PRO 630 -3.039 3.124 10.848 882 HD3 PRO 630 2HD PRO 630 -4.194 2.989 12.193 883 H ALA 631 H ALA 631 -6.209 4.250 6.770 884 HA ALA 631 HA ALA 631 -3.566 3.706 5.535 885 HB1 ALA 631 1HB ALA 631 -4.820 1.941 4.124 886 HB2 ALA 631 2HB ALA 631 -4.405 1.550 5.790 887 HB3 ALA 631 3HB ALA 631 -6.076 2.007 5.364 888 H VAL 632 H VAL 632 -3.349 5.520 4.245 889 HA VAL 632 HA VAL 632 -5.664 6.672 2.894 890 HB VAL 632 HB VAL 632 -2.705 7.277 2.765 891 HG11 VAL 632 1HG1 VAL 632 -4.982 8.554 1.184 892 HG12 VAL 632 2HG1 VAL 632 -3.358 9.247 1.340 893 HG13 VAL 632 3HG1 VAL 632 -3.573 7.707 0.513 894 HG21 VAL 632 3HG2 VAL 632 -5.100 8.910 3.714 895 HG22 VAL 632 1HG2 VAL 632 -3.944 8.070 4.769 896 HG23 VAL 632 2HG2 VAL 632 -3.401 9.416 3.758 897 H VAL 633 H VAL 633 -6.620 5.561 1.312 898 HA VAL 633 HA VAL 633 -5.142 3.489 -0.192 899 HB VAL 633 HB VAL 633 -8.058 4.286 -0.415 900 HG11 VAL 633 1HG1 VAL 633 -6.513 1.752 -1.147 901 HG12 VAL 633 2HG1 VAL 633 -8.266 1.967 -1.289 902 HG13 VAL 633 3HG1 VAL 633 -7.195 2.938 -2.286 903 HG21 VAL 633 3HG2 VAL 633 -7.818 3.690 1.894 904 HG22 VAL 633 1HG2 VAL 633 -8.523 2.306 1.065 905 HG23 VAL 633 2HG2 VAL 633 -6.802 2.296 1.497 906 H SER 634 H SER 634 -4.583 3.956 -2.515 907 HA SER 634 HA SER 634 -5.913 6.361 -3.634 908 HG SER 634 HG SER 634 -3.203 7.612 -5.415 909 HB2 SER 634 1HB SER 634 -3.505 6.853 -3.061 910 HB3 SER 634 2HB SER 634 -3.070 5.687 -4.344 911 H VAL 635 H VAL 635 -6.242 6.342 -5.919 912 HA VAL 635 HA VAL 635 -6.150 3.704 -7.231 913 HB VAL 635 HB VAL 635 -8.540 4.139 -7.937 914 HG11 VAL 635 1HG1 VAL 635 -8.055 3.359 -5.016 915 HG12 VAL 635 2HG1 VAL 635 -9.491 2.963 -5.971 916 HG13 VAL 635 3HG1 VAL 635 -7.916 2.290 -6.427 917 HG21 VAL 635 3HG2 VAL 635 -8.649 5.837 -5.372 918 HG22 VAL 635 1HG2 VAL 635 -8.810 6.452 -7.020 919 HG23 VAL 635 2HG2 VAL 635 -10.024 5.341 -6.351 920 H SER 636 H SER 636 -6.929 3.848 -9.508 921 HA SER 636 HA SER 636 -5.128 5.594 -10.627 922 HG SER 636 HG SER 636 -5.384 2.338 -12.090 923 HB2 SER 636 1HB SER 636 -7.152 3.850 -12.091 924 HB3 SER 636 2HB SER 636 -5.641 4.476 -12.775 925 H SER 637 H SER 637 -8.397 6.403 -10.101 926 HA SER 637 HA SER 637 -8.107 8.810 -11.715 927 HG SER 637 HG SER 637 -10.240 6.592 -13.922 928 HB2 SER 637 1HB SER 637 -10.729 7.362 -11.882 929 HB3 SER 637 2HB SER 637 -10.106 8.615 -12.953 930 HA PRO 638 HA PRO 638 -10.369 10.253 -8.162 931 HB2 PRO 638 1HB PRO 638 -11.732 12.418 -9.185 932 HB3 PRO 638 2HB PRO 638 -9.985 12.417 -8.806 933 HG2 PRO 638 1HG PRO 638 -11.330 11.961 -11.491 934 HG3 PRO 638 2HG PRO 638 -9.896 12.966 -11.099 935 HD2 PRO 638 1HD PRO 638 -9.611 10.531 -12.144 936 HD3 PRO 638 2HD PRO 638 -8.478 11.164 -10.914 937 H ASP 639 H ASP 639 -12.089 9.486 -11.191 938 HA ASP 639 HA ASP 639 -14.693 9.149 -10.344 939 HB2 ASP 639 1HB ASP 639 -12.894 7.538 -12.170 940 HB3 ASP 639 2HB ASP 639 -14.563 7.106 -11.953 941 H ALA 640 H ALA 640 -11.894 7.042 -9.816 942 HA ALA 640 HA ALA 640 -13.472 4.720 -8.930 943 HB1 ALA 640 1HB ALA 640 -11.337 4.347 -10.051 944 HB2 ALA 640 2HB ALA 640 -10.484 5.288 -8.808 945 HB3 ALA 640 3HB ALA 640 -11.288 3.763 -8.366 946 H VAL 641 H VAL 641 -11.916 7.575 -7.488 947 HA VAL 641 HA VAL 641 -11.704 6.628 -4.821 948 HB VAL 641 HB VAL 641 -12.271 9.449 -5.820 949 HG11 VAL 641 1HG1 VAL 641 -11.073 10.131 -3.725 950 HG12 VAL 641 2HG1 VAL 641 -12.492 9.156 -3.330 951 HG13 VAL 641 3HG1 VAL 641 -10.881 8.405 -3.311 952 HG21 VAL 641 3HG2 VAL 641 -9.830 9.810 -5.760 953 HG22 VAL 641 1HG2 VAL 641 -9.588 8.107 -5.310 954 HG23 VAL 641 2HG2 VAL 641 -10.224 8.516 -6.901 955 H THR 642 H THR 642 -14.300 8.685 -6.327 956 HA THR 642 HA THR 642 -16.029 8.608 -4.137 957 HB THR 642 HB THR 642 -16.581 8.855 -7.110 958 HG1 THR 642 1HG THR 642 -16.509 11.161 -6.428 959 HG21 THR 642 3HG2 THR 642 -18.652 8.627 -5.644 960 HG22 THR 642 1HG2 THR 642 -18.128 10.067 -4.758 961 HG23 THR 642 2HG2 THR 642 -18.531 10.166 -6.492 962 H THR 643 H THR 643 -15.700 6.353 -6.893 963 HA THR 643 HA THR 643 -17.943 4.695 -6.271 964 HB THR 643 HB THR 643 -15.369 3.553 -7.392 965 HG1 THR 643 1HG THR 643 -15.846 5.652 -8.546 966 HG21 THR 643 3HG2 THR 643 -16.828 2.190 -8.673 967 HG22 THR 643 1HG2 THR 643 -17.566 2.249 -7.068 968 HG23 THR 643 2HG2 THR 643 -18.223 3.247 -8.373 969 H TYR 644 H TYR 644 -14.563 4.690 -5.158 970 HA TYR 644 HA TYR 644 -14.512 2.186 -3.907 971 HD1 TYR 644 1HD TYR 644 -12.336 3.381 -1.083 972 HD2 TYR 644 2HD TYR 644 -11.576 1.677 -4.971 973 HE1 TYR 644 1HE TYR 644 -10.906 1.522 -0.002 974 HE2 TYR 644 2HE TYR 644 -10.205 -0.149 -3.881 975 HH TYR 644 HH TYR 644 -9.418 -0.238 -0.471 976 HB2 TYR 644 1HB TYR 644 -12.609 3.717 -4.694 977 HB3 TYR 644 2HB TYR 644 -12.828 4.589 -3.188 978 H ASN 645 H ASN 645 -14.709 5.486 -2.531 979 HA ASN 645 HA ASN 645 -15.324 4.955 0.146 980 HB2 ASN 645 1HB ASN 645 -16.461 7.159 -1.649 981 HB3 ASN 645 2HB ASN 645 -16.521 7.153 0.106 982 HD21 ASN 645 1HD2 ASN 645 -15.136 8.944 -2.054 983 HD22 ASN 645 2HD2 ASN 645 -13.551 9.075 -1.373 984 H GLY 646 H GLY 646 -17.333 5.182 -2.690 985 HA2 GLY 646 1HA GLY 646 -19.935 4.637 -1.951 986 HA3 GLY 646 2HA GLY 646 -19.149 3.986 -3.377 987 H TYR 647 H TYR 647 -17.697 2.015 -2.946 988 HA TYR 647 HA TYR 647 -19.285 -0.089 -1.943 989 HD1 TYR 647 1HD TYR 647 -19.309 -1.407 -4.165 990 HD2 TYR 647 2HD TYR 647 -15.418 0.487 -4.354 991 HE1 TYR 647 1HE TYR 647 -19.297 -1.570 -6.633 992 HE2 TYR 647 2HE TYR 647 -15.507 0.505 -6.747 993 HH TYR 647 HH TYR 647 -17.957 -0.275 -8.726 994 HB2 TYR 647 1HB TYR 647 -16.277 -0.060 -2.265 995 HB3 TYR 647 2HB TYR 647 -17.290 -1.492 -2.228 996 H LEU 648 H LEU 648 -16.737 1.833 -0.174 997 HA LEU 648 HA LEU 648 -16.314 0.179 1.970 998 HG LEU 648 HG LEU 648 -14.079 3.041 2.037 999 HB2 LEU 648 1HB LEU 648 -16.123 3.040 1.241 1000 HB3 LEU 648 2HB LEU 648 -16.394 2.826 2.946 1001 HD11 LEU 648 1HD1 LEU 648 -14.495 2.375 4.367 1002 HD12 LEU 648 2HD1 LEU 648 -14.780 0.693 3.865 1003 HD13 LEU 648 3HD1 LEU 648 -13.153 1.389 3.752 1004 HD21 LEU 648 3HD2 LEU 648 -14.265 0.103 1.361 1005 HD22 LEU 648 1HD2 LEU 648 -14.074 1.459 0.218 1006 HD23 LEU 648 2HD2 LEU 648 -12.803 1.091 1.388 1007 H THR 649 H THR 649 -18.920 2.655 1.660 1008 HA THR 649 HA THR 649 -20.875 1.270 3.047 1009 HB THR 649 HB THR 649 -19.675 1.069 5.011 1010 HG1 THR 649 1HG THR 649 -21.845 2.291 5.115 1011 HG21 THR 649 3HG2 THR 649 -18.852 3.960 4.703 1012 HG22 THR 649 1HG2 THR 649 -18.677 3.055 6.230 1013 HG23 THR 649 2HG2 THR 649 -17.816 2.543 4.786 1014 H SER 650 H SER 650 -20.671 2.989 0.801 1015 HA SER 650 HA SER 650 -22.632 5.054 1.493 1016 HG SER 650 HG SER 650 -19.093 5.521 1.442 1017 HB2 SER 650 1HB SER 650 -20.280 5.813 -0.217 1018 HB3 SER 650 2HB SER 650 -21.401 6.853 0.665 1019 H SER 651 H SER 651 -23.159 2.708 0.369 1020 HA SER 651 HA SER 651 -22.558 2.236 -2.216 1021 HG SER 651 HG SER 651 -23.212 0.544 -0.021 1022 HB2 SER 651 1HB SER 651 -25.127 1.512 -0.744 1023 HB3 SER 651 2HB SER 651 -24.780 0.927 -2.372 Start of MODEL 20 1 H1 GLY -4 H GLY -4 -3.983 13.370 11.063 2 HA2 GLY -4 1HA GLY -4 -1.794 14.708 9.578 3 HA3 GLY -4 2HA GLY -4 -2.782 13.409 8.909 4 H SER -3 H SER -3 -2.854 15.431 7.349 5 HA SER -3 HA SER -3 -5.400 16.881 7.765 6 HG SER -3 HG SER -3 -5.209 18.685 5.366 7 HB2 SER -3 1HB SER -3 -3.621 18.027 6.504 8 HB3 SER -3 2HB SER -3 -3.461 16.631 5.418 9 H HIS -2 H HIS -2 -7.221 15.993 7.018 10 HA HIS -2 HA HIS -2 -8.623 14.181 6.626 11 HD1 HIS -2 1HD HIS -2 -8.727 17.868 4.441 12 HD2 HIS -2 2HD HIS -2 -11.057 14.600 5.819 13 HE1 HIS -2 1HE HIS -2 -10.895 18.838 5.403 14 HE2 HIS -2 2HE HIS -2 -12.253 16.860 6.313 15 HB2 HIS -2 1HB HIS -2 -7.644 15.397 4.042 16 HB3 HIS -2 2HB HIS -2 -8.882 14.142 4.045 17 H MET -1 H MET -1 -8.171 12.206 7.344 18 HA MET -1 HA MET -1 -6.641 10.253 5.857 19 HB2 MET -1 1HB MET -1 -7.339 10.326 8.410 20 HB3 MET -1 2HB MET -1 -8.920 9.855 7.811 21 HG2 MET -1 1HG MET -1 -7.734 7.899 8.557 22 HG3 MET -1 2HG MET -1 -7.877 7.802 6.814 23 HE1 MET -1 3HE MET -1 -4.003 8.503 9.275 24 HE2 MET -1 1HE MET -1 -5.207 9.800 9.170 25 HE3 MET -1 2HE MET -1 -5.642 8.241 9.905 26 H GLY 527 H GLY 527 -8.196 8.447 5.116 27 HA2 GLY 527 1HA GLY 527 -10.168 7.764 3.919 28 HA3 GLY 527 2HA GLY 527 -10.613 9.463 3.690 29 H THR 528 H THR 528 -10.801 7.957 1.538 30 HA THR 528 HA THR 528 -8.443 7.238 0.265 31 HB THR 528 HB THR 528 -11.242 7.561 -0.904 32 HG1 THR 528 1HG THR 528 -11.852 5.997 0.255 33 HG21 THR 528 3HG2 THR 528 -10.705 5.627 -2.289 34 HG22 THR 528 1HG2 THR 528 -9.467 6.862 -2.570 35 HG23 THR 528 2HG2 THR 528 -9.107 5.470 -1.537 36 H VAL 529 H VAL 529 -7.323 8.126 -1.562 37 HA VAL 529 HA VAL 529 -8.095 10.891 -2.403 38 HB VAL 529 HB VAL 529 -5.771 11.569 -2.282 39 HG11 VAL 529 1HG1 VAL 529 -5.513 11.773 0.099 40 HG12 VAL 529 2HG1 VAL 529 -7.239 11.866 -0.294 41 HG13 VAL 529 3HG1 VAL 529 -6.563 10.378 0.389 42 HG21 VAL 529 3HG2 VAL 529 -5.218 8.754 -1.271 43 HG22 VAL 529 1HG2 VAL 529 -4.458 9.609 -2.618 44 HG23 VAL 529 2HG2 VAL 529 -4.132 10.113 -0.961 45 H SER 530 H SER 530 -6.555 11.536 -4.342 46 HA SER 530 HA SER 530 -6.529 9.298 -6.320 47 HG SER 530 HG SER 530 -7.761 12.594 -5.619 48 HB2 SER 530 1HB SER 530 -7.073 11.131 -7.980 49 HB3 SER 530 2HB SER 530 -8.337 10.752 -6.816 50 H TRP 531 H TRP 531 -4.276 10.021 -4.507 51 HA TRP 531 HA TRP 531 -2.412 11.765 -5.882 52 HD1 TRP 531 HD TRP 531 -3.682 12.966 -4.108 53 HE1 TRP 531 1HE TRP 531 -4.071 14.040 -1.832 54 HE3 TRP 531 3HE TRP 531 -0.536 10.056 -1.328 55 HZ2 TRP 531 2HZ TRP 531 -3.318 13.532 0.915 56 HZ3 TRP 531 3HZ TRP 531 -0.379 10.396 1.114 57 HH2 TRP 531 HH TRP 531 -1.826 12.056 2.258 58 HB2 TRP 531 1HB TRP 531 -1.948 9.653 -3.748 59 HB3 TRP 531 2HB TRP 531 -0.839 10.885 -4.235 60 H ASN 532 H ASN 532 -0.364 11.029 -6.757 61 HA ASN 532 HA ASN 532 -0.633 8.472 -8.239 62 HB2 ASN 532 1HB ASN 532 1.019 9.298 -9.723 63 HB3 ASN 532 2HB ASN 532 -0.165 10.587 -9.495 64 HD21 ASN 532 1HD2 ASN 532 2.481 11.047 -10.483 65 HD22 ASN 532 2HD2 ASN 532 3.179 12.172 -9.326 66 H LEU 533 H LEU 533 1.485 7.303 -8.455 67 HA LEU 533 HA LEU 533 2.375 6.468 -5.974 68 HG LEU 533 HG LEU 533 4.035 3.753 -7.808 69 HB2 LEU 533 1HB LEU 533 2.412 5.283 -8.175 70 HB3 LEU 533 2HB LEU 533 3.845 6.169 -8.634 71 HD11 LEU 533 1HD1 LEU 533 6.195 4.065 -6.807 72 HD12 LEU 533 2HD1 LEU 533 5.967 5.252 -8.111 73 HD13 LEU 533 3HD1 LEU 533 5.824 5.750 -6.419 74 HD21 LEU 533 3HD2 LEU 533 2.596 3.967 -5.788 75 HD22 LEU 533 1HD2 LEU 533 4.194 3.290 -5.448 76 HD23 LEU 533 2HD2 LEU 533 3.850 4.974 -5.025 77 H ARG 534 H ARG 534 3.671 9.127 -7.903 78 HA ARG 534 HA ARG 534 6.163 9.417 -6.411 79 HE ARG 534 HE ARG 534 7.908 10.387 -10.760 80 HB2 ARG 534 1HB ARG 534 4.527 11.615 -7.778 81 HB3 ARG 534 2HB ARG 534 6.118 11.807 -7.093 82 HG2 ARG 534 1HG ARG 534 5.428 10.141 -9.529 83 HG3 ARG 534 2HG ARG 534 6.309 11.681 -9.457 84 HD2 ARG 534 1HD ARG 534 8.030 10.562 -7.999 85 HD3 ARG 534 2HD ARG 534 7.221 9.014 -8.315 86 HH11 ARG 534 2HH2 ARG 534 9.343 8.508 -8.058 87 HH12 ARG 534 1HH2 ARG 534 10.617 7.844 -9.029 88 HH21 ARG 534 2HH1 ARG 534 9.781 9.700 -11.939 89 HH22 ARG 534 1HH1 ARG 534 11.069 8.896 -11.101 90 H GLU 535 H GLU 535 2.890 11.001 -6.074 91 HA GLU 535 HA GLU 535 3.486 12.599 -3.931 92 HB2 GLU 535 1HB GLU 535 1.057 11.390 -5.090 93 HB3 GLU 535 2HB GLU 535 0.942 12.148 -3.508 94 HG2 GLU 535 1HG GLU 535 2.431 13.645 -5.672 95 HG3 GLU 535 2HG GLU 535 0.717 13.489 -5.799 96 H MET 536 H MET 536 2.139 9.298 -4.040 97 HA MET 536 HA MET 536 2.020 8.746 -1.279 98 HB2 MET 536 1HB MET 536 2.595 6.900 -3.632 99 HB3 MET 536 2HB MET 536 2.393 6.351 -1.974 100 HG2 MET 536 1HG MET 536 0.103 7.621 -2.042 101 HG3 MET 536 2HG MET 536 0.334 7.571 -3.795 102 HE1 MET 536 3HE MET 536 -1.778 6.152 -4.129 103 HE2 MET 536 1HE MET 536 -2.156 4.648 -3.256 104 HE3 MET 536 2HE MET 536 -2.085 6.194 -2.371 105 H LEU 537 H LEU 537 4.782 7.933 -3.506 106 HA LEU 537 HA LEU 537 6.364 6.715 -1.441 107 HG LEU 537 HG LEU 537 6.398 5.385 -3.954 108 HB2 LEU 537 1HB LEU 537 6.903 7.827 -4.194 109 HB3 LEU 537 2HB LEU 537 8.291 7.617 -3.129 110 HD11 LEU 537 1HD1 LEU 537 8.280 4.610 -5.319 111 HD12 LEU 537 2HD1 LEU 537 7.880 6.269 -5.777 112 HD13 LEU 537 3HD1 LEU 537 9.293 5.959 -4.761 113 HD21 LEU 537 3HD2 LEU 537 7.455 4.970 -1.710 114 HD22 LEU 537 1HD2 LEU 537 8.070 3.877 -2.932 115 HD23 LEU 537 2HD2 LEU 537 9.031 5.275 -2.398 116 H ALA 538 H ALA 538 6.317 10.089 -2.723 117 HA ALA 538 HA ALA 538 8.415 11.012 -1.008 118 HB1 ALA 538 1HB ALA 538 6.095 12.450 -2.341 119 HB2 ALA 538 2HB ALA 538 7.473 13.240 -1.546 120 HB3 ALA 538 3HB ALA 538 7.732 12.251 -2.997 121 H HIS 539 H HIS 539 4.889 10.721 -0.620 122 HA HIS 539 HA HIS 539 4.602 12.133 1.831 123 HD1 HIS 539 1HD HIS 539 1.966 13.328 1.757 124 HD2 HIS 539 2HD HIS 539 1.730 9.497 3.589 125 HE1 HIS 539 1HE HIS 539 0.342 13.539 3.719 126 HE2 HIS 539 2HE HIS 539 0.332 11.218 4.921 127 HB2 HIS 539 1HB HIS 539 2.738 11.009 0.318 128 HB3 HIS 539 2HB HIS 539 2.990 9.599 1.286 129 H ALA 540 H ALA 540 5.124 8.693 1.198 130 HA ALA 540 HA ALA 540 5.399 7.887 3.916 131 HB1 ALA 540 1HB ALA 540 6.617 6.557 1.458 132 HB2 ALA 540 2HB ALA 540 6.275 5.812 3.037 133 HB3 ALA 540 3HB ALA 540 4.935 6.344 2.008 134 H GLU 541 H GLU 541 8.050 8.898 1.529 135 HA GLU 541 HA GLU 541 10.097 8.509 3.367 136 HB2 GLU 541 1HB GLU 541 9.697 9.156 0.610 137 HB3 GLU 541 2HB GLU 541 10.424 10.586 1.288 138 HG2 GLU 541 1HG GLU 541 12.005 8.968 2.517 139 HG3 GLU 541 2HG GLU 541 11.539 7.803 1.318 140 H GLU 542 H GLU 542 7.936 11.236 2.819 141 HA GLU 542 HA GLU 542 9.511 13.185 4.229 142 HB2 GLU 542 1HB GLU 542 8.043 13.676 2.348 143 HB3 GLU 542 2HB GLU 542 6.617 13.107 3.222 144 HG2 GLU 542 1HG GLU 542 6.400 15.041 4.397 145 HG3 GLU 542 2HG GLU 542 8.135 15.214 4.618 146 H THR 543 H THR 543 6.289 11.748 4.890 147 HA THR 543 HA THR 543 6.262 12.525 7.657 148 HB THR 543 HB THR 543 4.249 11.163 7.777 149 HG1 THR 543 1HG THR 543 4.872 10.307 5.147 150 HG21 THR 543 3HG2 THR 543 4.067 13.380 6.630 151 HG22 THR 543 1HG2 THR 543 4.267 12.573 5.068 152 HG23 THR 543 2HG2 THR 543 2.867 12.193 6.085 153 H ARG 544 H ARG 544 7.903 10.017 6.078 154 HA ARG 544 HA ARG 544 9.105 8.257 6.599 155 HE ARG 544 HE ARG 544 12.451 8.737 8.009 156 HB2 ARG 544 1HB ARG 544 8.817 8.836 9.533 157 HB3 ARG 544 2HB ARG 544 10.066 7.905 8.717 158 HG2 ARG 544 1HG ARG 544 9.602 10.911 8.534 159 HG3 ARG 544 2HG ARG 544 10.930 10.123 9.335 160 HD2 ARG 544 1HD ARG 544 10.477 9.772 6.365 161 HD3 ARG 544 2HD ARG 544 11.293 11.181 6.998 162 HH11 ARG 544 2HH2 ARG 544 12.291 10.699 5.055 163 HH12 ARG 544 1HH2 ARG 544 13.880 10.342 4.494 164 HH21 ARG 544 2HH1 ARG 544 14.539 8.089 7.220 165 HH22 ARG 544 1HH1 ARG 544 15.224 8.870 5.834 166 H LYS 545 H LYS 545 5.903 8.354 7.098 167 HA LYS 545 HA LYS 545 5.423 6.169 8.846 168 HB2 LYS 545 1HB LYS 545 3.738 7.652 6.811 169 HB3 LYS 545 2HB LYS 545 3.064 6.383 7.849 170 HG2 LYS 545 1HG LYS 545 3.516 7.625 9.842 171 HG3 LYS 545 2HG LYS 545 4.501 8.804 8.969 172 HD2 LYS 545 1HD LYS 545 2.552 9.660 7.786 173 HD3 LYS 545 2HD LYS 545 1.530 8.397 8.445 174 HE2 LYS 545 1HE LYS 545 1.239 10.584 9.615 175 HE3 LYS 545 2HE LYS 545 1.745 9.276 10.698 176 HZ1 LYS 545 3HZ LYS 545 3.596 11.335 9.607 177 HZ2 LYS 545 1HZ LYS 545 2.969 11.318 11.096 178 HZ3 LYS 545 2HZ LYS 545 3.975 10.122 10.676 179 H LEU 546 H LEU 546 3.704 4.334 7.944 180 HA LEU 546 HA LEU 546 5.690 2.569 6.815 181 HG LEU 546 HG LEU 546 3.583 0.181 6.482 182 HB2 LEU 546 1HB LEU 546 4.237 2.047 8.775 183 HB3 LEU 546 2HB LEU 546 2.830 2.100 7.737 184 HD11 LEU 546 1HD1 LEU 546 6.020 0.226 6.552 185 HD12 LEU 546 2HD1 LEU 546 6.010 -0.002 8.314 186 HD13 LEU 546 3HD1 LEU 546 5.465 -1.283 7.211 187 HD21 LEU 546 3HD2 LEU 546 3.745 -0.303 9.481 188 HD22 LEU 546 1HD2 LEU 546 2.257 -0.245 8.503 189 HD23 LEU 546 2HD2 LEU 546 3.437 -1.537 8.264 190 H MET 547 H MET 547 5.514 1.365 4.882 191 HA MET 547 HA MET 547 3.275 1.955 3.072 192 HB2 MET 547 1HB MET 547 5.155 3.566 2.747 193 HB3 MET 547 2HB MET 547 6.169 2.208 2.285 194 HG2 MET 547 1HG MET 547 4.674 1.737 0.373 195 HG3 MET 547 2HG MET 547 3.580 3.022 0.913 196 HE1 MET 547 3HE MET 547 4.992 4.876 -2.183 197 HE2 MET 547 1HE MET 547 4.324 3.240 -1.995 198 HE3 MET 547 2HE MET 547 3.573 4.623 -1.156 199 HA PRO 548 HA PRO 548 4.090 -2.462 2.503 200 HB2 PRO 548 1HB PRO 548 1.621 -3.024 1.310 201 HB3 PRO 548 2HB PRO 548 1.969 -3.048 3.067 202 HG2 PRO 548 1HG PRO 548 0.472 -1.121 1.427 203 HG3 PRO 548 2HG PRO 548 0.416 -1.402 3.206 204 HD2 PRO 548 1HD PRO 548 1.794 0.676 1.729 205 HD3 PRO 548 2HD PRO 548 1.764 0.420 3.500 206 H ILE 549 H ILE 549 4.931 -3.532 0.647 207 HA ILE 549 HA ILE 549 4.347 -2.330 -2.033 208 HB ILE 549 HB ILE 549 7.050 -3.294 -1.053 209 HG12 ILE 549 1HG1 ILE 549 7.561 -0.743 -1.634 210 HG13 ILE 549 2HG1 ILE 549 5.869 -0.536 -1.247 211 HG21 ILE 549 1HG2 ILE 549 6.680 -3.640 -3.492 212 HG22 ILE 549 2HG2 ILE 549 6.189 -1.938 -3.642 213 HG23 ILE 549 3HG2 ILE 549 7.850 -2.371 -3.209 214 HD11 ILE 549 3HD1 ILE 549 8.217 -1.235 0.444 215 HD12 ILE 549 1HD1 ILE 549 6.813 -0.167 0.739 216 HD13 ILE 549 2HD1 ILE 549 6.666 -1.925 0.951 217 H CYS 550 H CYS 550 3.590 -3.764 -3.385 218 HA CYS 550 HA CYS 550 3.704 -6.626 -2.978 219 HG CYS 550 HG CYS 550 2.036 -7.923 -4.169 220 HB2 CYS 550 1HB CYS 550 1.928 -5.341 -4.339 221 HB3 CYS 550 2HB CYS 550 3.164 -5.144 -5.594 222 H MET 551 H MET 551 5.853 -7.314 -2.786 223 HA MET 551 HA MET 551 7.834 -6.423 -4.692 224 HB2 MET 551 1HB MET 551 9.450 -7.487 -3.468 225 HB3 MET 551 2HB MET 551 8.270 -6.823 -2.329 226 HG2 MET 551 1HG MET 551 8.059 -8.889 -1.430 227 HG3 MET 551 2HG MET 551 7.290 -9.297 -2.964 228 HE1 MET 551 3HE MET 551 10.448 -9.183 -0.846 229 HE2 MET 551 1HE MET 551 11.564 -10.341 -1.582 230 HE3 MET 551 2HE MET 551 11.371 -8.728 -2.299 231 H ASP 552 H ASP 552 5.442 -8.514 -4.964 232 HA ASP 552 HA ASP 552 6.577 -10.467 -6.815 233 HB2 ASP 552 1HB ASP 552 4.470 -10.767 -5.415 234 HB3 ASP 552 2HB ASP 552 3.672 -9.627 -6.507 235 H VAL 553 H VAL 553 5.994 -7.058 -7.130 236 HA VAL 553 HA VAL 553 5.550 -7.373 -10.064 237 HB VAL 553 HB VAL 553 4.417 -5.287 -8.204 238 HG11 VAL 553 1HG1 VAL 553 3.306 -4.399 -10.228 239 HG12 VAL 553 2HG1 VAL 553 5.045 -4.218 -10.351 240 HG13 VAL 553 3HG1 VAL 553 4.240 -5.521 -11.249 241 HG21 VAL 553 3HG2 VAL 553 3.267 -7.550 -9.908 242 HG22 VAL 553 1HG2 VAL 553 3.149 -7.362 -8.147 243 HG23 VAL 553 2HG2 VAL 553 2.284 -6.247 -9.224 244 H ARG 554 H ARG 554 7.404 -7.245 -10.931 245 HA ARG 554 HA ARG 554 9.657 -5.774 -10.717 246 HE ARG 554 HE ARG 554 11.245 -9.402 -13.444 247 HB2 ARG 554 1HB ARG 554 7.897 -6.442 -13.091 248 HB3 ARG 554 2HB ARG 554 9.400 -5.570 -13.344 249 HG2 ARG 554 1HG ARG 554 9.424 -8.176 -11.773 250 HG3 ARG 554 2HG ARG 554 9.314 -8.170 -13.531 251 HD2 ARG 554 1HD ARG 554 11.369 -6.514 -13.379 252 HD3 ARG 554 2HD ARG 554 11.579 -7.236 -11.769 253 HH11 ARG 554 2HH2 ARG 554 13.616 -6.769 -13.040 254 HH12 ARG 554 1HH2 ARG 554 14.867 -7.594 -13.901 255 HH21 ARG 554 2HH1 ARG 554 12.783 -10.320 -14.888 256 HH22 ARG 554 1HH1 ARG 554 14.399 -9.698 -14.965 257 H ALA 555 H ALA 555 6.675 -4.377 -12.241 258 HA ALA 555 HA ALA 555 7.833 -1.947 -12.987 259 HB1 ALA 555 1HB ALA 555 5.507 -1.038 -12.937 260 HB2 ALA 555 2HB ALA 555 5.600 -2.617 -13.735 261 HB3 ALA 555 3HB ALA 555 4.958 -2.486 -12.079 262 H ILE 556 H ILE 556 6.168 -2.695 -9.926 263 HA ILE 556 HA ILE 556 6.551 -0.111 -8.722 264 HB ILE 556 HB ILE 556 5.964 -2.822 -7.427 265 HG12 ILE 556 1HG1 ILE 556 4.013 -0.698 -8.438 266 HG13 ILE 556 2HG1 ILE 556 4.285 -2.256 -9.189 267 HG21 ILE 556 1HG2 ILE 556 6.735 -1.106 -5.834 268 HG22 ILE 556 2HG2 ILE 556 5.519 0.037 -6.433 269 HG23 ILE 556 3HG2 ILE 556 5.029 -1.447 -5.582 270 HD11 ILE 556 3HD1 ILE 556 3.493 -3.400 -7.115 271 HD12 ILE 556 1HD1 ILE 556 3.008 -1.814 -6.478 272 HD13 ILE 556 2HD1 ILE 556 2.270 -2.434 -7.959 273 H MET 557 H MET 557 8.160 -3.314 -8.342 274 HA MET 557 HA MET 557 10.005 -2.453 -6.417 275 HB2 MET 557 1HB MET 557 10.055 -4.765 -8.415 276 HB3 MET 557 2HB MET 557 11.274 -4.558 -7.161 277 HG2 MET 557 1HG MET 557 8.299 -5.011 -6.761 278 HG3 MET 557 2HG MET 557 9.622 -6.087 -6.337 279 HE1 MET 557 3HE MET 557 11.286 -4.181 -3.348 280 HE2 MET 557 1HE MET 557 11.504 -5.344 -4.678 281 HE3 MET 557 2HE MET 557 11.618 -3.590 -4.989 282 H ALA 558 H ALA 558 10.388 -2.455 -9.975 283 HA ALA 558 HA ALA 558 13.131 -1.642 -9.897 284 HB1 ALA 558 1HB ALA 558 11.053 -1.154 -12.078 285 HB2 ALA 558 2HB ALA 558 12.836 -1.164 -12.247 286 HB3 ALA 558 3HB ALA 558 11.975 -2.657 -11.866 287 H THR 559 H THR 559 10.015 0.185 -9.959 288 HA THR 559 HA THR 559 11.133 2.788 -10.193 289 HB THR 559 HB THR 559 8.526 1.534 -9.384 290 HG1 THR 559 1HG THR 559 7.875 2.766 -11.108 291 HG21 THR 559 3HG2 THR 559 9.082 4.487 -8.921 292 HG22 THR 559 1HG2 THR 559 7.480 3.726 -9.017 293 HG23 THR 559 2HG2 THR 559 8.577 3.282 -7.718 294 H ILE 560 H ILE 560 10.395 0.789 -7.273 295 HA ILE 560 HA ILE 560 11.291 2.919 -5.522 296 HB ILE 560 HB ILE 560 10.701 -0.031 -5.028 297 HG12 ILE 560 1HG1 ILE 560 9.161 2.542 -4.382 298 HG13 ILE 560 2HG1 ILE 560 8.789 1.488 -5.754 299 HG21 ILE 560 1HG2 ILE 560 10.736 0.462 -2.630 300 HG22 ILE 560 2HG2 ILE 560 12.285 0.963 -3.287 301 HG23 ILE 560 3HG2 ILE 560 11.052 2.176 -2.927 302 HD11 ILE 560 3HD1 ILE 560 8.367 -0.368 -4.115 303 HD12 ILE 560 1HD1 ILE 560 8.476 0.862 -2.825 304 HD13 ILE 560 2HD1 ILE 560 7.221 0.988 -4.060 305 H GLN 561 H GLN 561 12.883 -0.177 -6.669 306 HA GLN 561 HA GLN 561 15.340 0.387 -5.364 307 HB2 GLN 561 1HB GLN 561 14.673 -1.284 -7.814 308 HB3 GLN 561 2HB GLN 561 16.281 -1.238 -7.074 309 HG2 GLN 561 1HG GLN 561 15.436 -1.959 -4.947 310 HG3 GLN 561 2HG GLN 561 13.773 -1.965 -5.501 311 HE21 GLN 561 1HE2 GLN 561 13.361 -3.296 -7.558 312 HE22 GLN 561 2HE2 GLN 561 14.080 -4.879 -7.641 313 H ARG 562 H ARG 562 14.007 1.965 -8.009 314 HA ARG 562 HA ARG 562 16.500 3.176 -9.012 315 HE ARG 562 HE ARG 562 14.218 3.576 -14.045 316 HB2 ARG 562 1HB ARG 562 13.602 3.944 -9.343 317 HB3 ARG 562 2HB ARG 562 14.859 5.141 -9.604 318 HG2 ARG 562 1HG ARG 562 15.984 3.414 -11.133 319 HG3 ARG 562 2HG ARG 562 14.465 2.521 -11.081 320 HD2 ARG 562 1HD ARG 562 13.245 4.318 -12.098 321 HD3 ARG 562 2HD ARG 562 14.589 5.451 -11.892 322 HH11 ARG 562 2HH2 ARG 562 16.696 5.380 -12.205 323 HH12 ARG 562 1HH2 ARG 562 17.923 5.154 -13.382 324 HH21 ARG 562 2HH1 ARG 562 16.011 3.007 -15.469 325 HH22 ARG 562 1HH1 ARG 562 17.539 3.816 -15.214 326 H LYS 563 H LYS 563 13.911 4.510 -6.920 327 HA LYS 563 HA LYS 563 15.564 6.699 -6.038 328 HB2 LYS 563 1HB LYS 563 13.103 6.694 -6.390 329 HB3 LYS 563 2HB LYS 563 12.892 5.623 -5.038 330 HG2 LYS 563 1HG LYS 563 13.624 7.273 -3.446 331 HG3 LYS 563 2HG LYS 563 14.237 8.339 -4.720 332 HD2 LYS 563 1HD LYS 563 12.063 8.983 -5.408 333 HD3 LYS 563 2HD LYS 563 11.314 7.564 -4.684 334 HE2 LYS 563 1HE LYS 563 10.736 9.509 -3.354 335 HE3 LYS 563 2HE LYS 563 11.762 8.415 -2.424 336 HZ1 LYS 563 3HZ LYS 563 12.473 10.542 -2.038 337 HZ2 LYS 563 1HZ LYS 563 13.641 9.911 -2.943 338 HZ3 LYS 563 2HZ LYS 563 12.557 10.997 -3.612 339 H TYR 564 H TYR 564 15.088 3.504 -4.783 340 HA TYR 564 HA TYR 564 16.692 4.120 -2.349 341 HD1 TYR 564 1HD TYR 564 12.855 3.887 -3.582 342 HD2 TYR 564 2HD TYR 564 14.399 4.477 0.413 343 HE1 TYR 564 1HE TYR 564 11.101 5.548 -3.153 344 HE2 TYR 564 2HE TYR 564 12.575 5.974 0.879 345 HH TYR 564 HH TYR 564 10.644 7.151 -0.037 346 HB2 TYR 564 1HB TYR 564 14.310 2.228 -2.476 347 HB3 TYR 564 2HB TYR 564 15.236 2.632 -1.059 348 H LYS 565 H LYS 565 18.298 3.330 -4.153 349 HA LYS 565 HA LYS 565 18.365 0.388 -4.508 350 HB2 LYS 565 1HB LYS 565 19.249 1.497 -6.358 351 HB3 LYS 565 2HB LYS 565 20.035 2.755 -5.409 352 HG2 LYS 565 1HG LYS 565 21.853 1.301 -4.820 353 HG3 LYS 565 2HG LYS 565 21.049 -0.118 -5.523 354 HD2 LYS 565 1HD LYS 565 21.678 2.340 -7.201 355 HD3 LYS 565 2HD LYS 565 22.904 1.107 -6.896 356 HE2 LYS 565 1HE LYS 565 21.991 -0.398 -8.285 357 HE3 LYS 565 2HE LYS 565 20.348 -0.115 -7.697 358 HZ1 LYS 565 3HZ LYS 565 20.801 0.466 -10.059 359 HZ2 LYS 565 1HZ LYS 565 20.104 1.686 -9.162 360 HZ3 LYS 565 2HZ LYS 565 21.693 1.743 -9.542 361 H GLY 566 H GLY 566 19.712 2.739 -2.191 362 HA2 GLY 566 1HA GLY 566 21.923 1.164 -1.435 363 HA3 GLY 566 2HA GLY 566 21.162 2.387 -0.426 364 H ILE 567 H ILE 567 18.590 0.557 -0.805 365 HA ILE 567 HA ILE 567 19.154 -1.384 1.343 366 HB ILE 567 HB ILE 567 17.380 0.007 1.786 367 HG12 ILE 567 1HG1 ILE 567 16.943 -2.559 2.004 368 HG13 ILE 567 2HG1 ILE 567 15.753 -1.335 2.371 369 HG21 ILE 567 1HG2 ILE 567 15.362 0.346 0.418 370 HG22 ILE 567 2HG2 ILE 567 16.824 1.042 -0.333 371 HG23 ILE 567 3HG2 ILE 567 16.178 -0.465 -0.953 372 HD11 ILE 567 3HD1 ILE 567 14.880 -3.300 0.953 373 HD12 ILE 567 1HD1 ILE 567 14.526 -1.675 0.356 374 HD13 ILE 567 2HD1 ILE 567 15.837 -2.611 -0.385 375 H LYS 568 H LYS 568 18.609 -3.536 1.130 376 HA LYS 568 HA LYS 568 18.108 -4.613 -1.587 377 HB2 LYS 568 1HB LYS 568 18.980 -6.687 -1.024 378 HB3 LYS 568 2HB LYS 568 20.212 -5.523 -0.657 379 HG2 LYS 568 1HG LYS 568 18.477 -6.920 1.445 380 HG3 LYS 568 2HG LYS 568 20.050 -7.441 0.880 381 HD2 LYS 568 1HD LYS 568 20.743 -6.387 2.732 382 HD3 LYS 568 2HD LYS 568 20.870 -5.069 1.589 383 HE2 LYS 568 1HE LYS 568 18.454 -4.430 2.415 384 HE3 LYS 568 2HE LYS 568 18.735 -5.597 3.699 385 HZ1 LYS 568 3HZ LYS 568 20.451 -3.239 3.168 386 HZ2 LYS 568 1HZ LYS 568 19.340 -3.361 4.368 387 HZ3 LYS 568 2HZ LYS 568 20.670 -4.334 4.372 388 H ILE 569 H ILE 569 16.324 -5.943 -1.825 389 HA ILE 569 HA ILE 569 14.178 -5.246 -0.004 390 HB ILE 569 HB ILE 569 14.107 -7.123 -2.363 391 HG12 ILE 569 1HG1 ILE 569 15.153 -5.170 -3.268 392 HG13 ILE 569 2HG1 ILE 569 13.505 -5.181 -3.771 393 HG21 ILE 569 1HG2 ILE 569 12.071 -7.025 -0.917 394 HG22 ILE 569 2HG2 ILE 569 11.974 -5.289 -1.217 395 HG23 ILE 569 3HG2 ILE 569 11.773 -6.438 -2.554 396 HD11 ILE 569 3HD1 ILE 569 13.597 -3.624 -1.336 397 HD12 ILE 569 1HD1 ILE 569 14.952 -3.140 -2.366 398 HD13 ILE 569 2HD1 ILE 569 13.299 -3.060 -2.994 399 H GLN 570 H GLN 570 13.158 -6.569 1.431 400 HA GLN 570 HA GLN 570 13.651 -9.449 1.363 401 HB2 GLN 570 1HB GLN 570 13.319 -8.033 4.000 402 HB3 GLN 570 2HB GLN 570 13.831 -9.682 3.724 403 HG2 GLN 570 1HG GLN 570 15.916 -9.003 4.072 404 HG3 GLN 570 2HG GLN 570 15.851 -8.166 2.533 405 HE21 GLN 570 1HE2 GLN 570 15.818 -5.677 2.748 406 HE22 GLN 570 2HE2 GLN 570 15.694 -4.910 4.272 407 H GLU 571 H GLU 571 11.920 -10.523 1.865 408 HA GLU 571 HA GLU 571 9.272 -9.317 1.711 409 HB2 GLU 571 1HB GLU 571 10.502 -12.022 1.632 410 HB3 GLU 571 2HB GLU 571 9.092 -11.967 2.660 411 HG2 GLU 571 1HG GLU 571 7.720 -11.103 0.838 412 HG3 GLU 571 2HG GLU 571 9.152 -10.903 -0.170 413 H GLY 572 H GLY 572 8.671 -8.127 3.491 414 HA2 GLY 572 1HA GLY 572 8.104 -8.495 5.950 415 HA3 GLY 572 2HA GLY 572 9.829 -8.824 6.145 416 H ILE 573 H ILE 573 9.557 -7.053 7.656 417 HA ILE 573 HA ILE 573 9.073 -4.356 6.749 418 HB ILE 573 HB ILE 573 9.881 -5.741 9.325 419 HG12 ILE 573 1HG1 ILE 573 7.531 -5.961 8.498 420 HG13 ILE 573 2HG1 ILE 573 7.665 -5.254 10.085 421 HG21 ILE 573 1HG2 ILE 573 10.961 -3.579 9.506 422 HG22 ILE 573 2HG2 ILE 573 9.467 -2.758 9.051 423 HG23 ILE 573 3HG2 ILE 573 9.565 -3.646 10.579 424 HD11 ILE 573 3HD1 ILE 573 5.974 -4.200 8.487 425 HD12 ILE 573 1HD1 ILE 573 7.076 -3.071 9.293 426 HD13 ILE 573 2HD1 ILE 573 7.333 -3.516 7.601 427 H VAL 574 H VAL 574 10.479 -2.808 6.232 428 HA VAL 574 HA VAL 574 13.435 -3.255 6.320 429 HB VAL 574 HB VAL 574 11.741 -2.651 3.897 430 HG11 VAL 574 1HG1 VAL 574 13.820 -2.470 2.664 431 HG12 VAL 574 2HG1 VAL 574 13.843 -1.265 3.906 432 HG13 VAL 574 3HG1 VAL 574 14.788 -2.757 4.125 433 HG21 VAL 574 3HG2 VAL 574 13.009 -4.730 3.055 434 HG22 VAL 574 1HG2 VAL 574 13.431 -5.022 4.752 435 HG23 VAL 574 2HG2 VAL 574 11.745 -5.009 4.252 436 H ASP 575 H ASP 575 13.631 -1.555 7.920 437 HA ASP 575 HA ASP 575 12.636 1.180 7.514 438 HB2 ASP 575 1HB ASP 575 13.195 0.626 9.760 439 HB3 ASP 575 2HB ASP 575 14.637 -0.253 9.284 440 H TYR 576 H TYR 576 13.146 1.912 5.456 441 HA TYR 576 HA TYR 576 15.862 2.867 5.320 442 HD1 TYR 576 2HD TYR 576 18.323 1.894 4.280 443 HD2 TYR 576 1HD TYR 576 15.380 2.532 1.232 444 HE1 TYR 576 2HE TYR 576 20.032 3.034 2.917 445 HE2 TYR 576 1HE TYR 576 17.134 3.660 -0.195 446 HH TYR 576 HH TYR 576 20.243 4.563 1.053 447 HB2 TYR 576 1HB TYR 576 16.137 0.669 4.203 448 HB3 TYR 576 2HB TYR 576 14.889 1.110 3.045 449 H GLY 577 H GLY 577 15.122 4.920 5.403 450 HA2 GLY 577 1HA GLY 577 14.435 6.911 4.384 451 HA3 GLY 577 2HA GLY 577 13.802 5.992 3.032 452 H VAL 578 H VAL 578 11.786 4.750 3.305 453 HA VAL 578 HA VAL 578 9.759 5.886 5.022 454 HB VAL 578 HB VAL 578 8.863 5.882 2.775 455 HG11 VAL 578 1HG1 VAL 578 10.620 6.014 1.686 456 HG12 VAL 578 2HG1 VAL 578 10.959 4.269 1.811 457 HG13 VAL 578 3HG1 VAL 578 9.505 4.961 0.929 458 HG21 VAL 578 3HG2 VAL 578 8.843 2.995 3.194 459 HG22 VAL 578 1HG2 VAL 578 7.670 4.103 3.950 460 HG23 VAL 578 2HG2 VAL 578 7.759 3.991 2.185 461 H ARG 579 H ARG 579 8.648 4.322 6.237 462 HA ARG 579 HA ARG 579 10.145 1.868 6.971 463 HE ARG 579 HE ARG 579 9.974 4.676 11.510 464 HB2 ARG 579 1HB ARG 579 7.606 3.262 7.848 465 HB3 ARG 579 2HB ARG 579 7.775 1.524 8.115 466 HG2 ARG 579 1HG ARG 579 8.709 2.203 10.085 467 HG3 ARG 579 2HG ARG 579 10.139 2.211 9.094 468 HD2 ARG 579 1HD ARG 579 9.677 4.690 8.647 469 HD3 ARG 579 2HD ARG 579 8.387 4.586 9.862 470 HH11 ARG 579 2HH2 ARG 579 11.536 3.867 8.439 471 HH12 ARG 579 1HH2 ARG 579 13.142 3.825 9.075 472 HH21 ARG 579 2HH1 ARG 579 12.170 4.725 12.390 473 HH22 ARG 579 1HH1 ARG 579 13.495 4.411 11.340 474 H PHE 580 H PHE 580 10.233 0.406 5.327 475 HA PHE 580 HA PHE 580 7.878 0.164 3.538 476 HD1 PHE 580 2HD PHE 580 7.948 1.137 1.713 477 HD2 PHE 580 1HD PHE 580 12.189 0.925 2.191 478 HE1 PHE 580 2HE PHE 580 8.284 3.111 0.292 479 HE2 PHE 580 1HE PHE 580 12.472 2.511 0.356 480 HZ PHE 580 HZ PHE 580 10.451 3.680 -0.522 481 HB2 PHE 580 1HB PHE 580 10.788 -0.710 3.347 482 HB3 PHE 580 2HB PHE 580 9.553 -1.351 2.281 483 H PHE 581 H PHE 581 6.930 -1.847 3.137 484 HA PHE 581 HA PHE 581 7.644 -4.162 4.804 485 HD1 PHE 581 2HD PHE 581 6.882 -5.665 6.287 486 HD2 PHE 581 1HD PHE 581 3.034 -4.568 4.732 487 HE1 PHE 581 2HE PHE 581 5.970 -7.859 7.010 488 HE2 PHE 581 1HE PHE 581 2.096 -6.758 5.498 489 HZ PHE 581 HZ PHE 581 3.592 -8.414 6.588 490 HB2 PHE 581 1HB PHE 581 5.779 -3.062 5.970 491 HB3 PHE 581 2HB PHE 581 4.831 -3.061 4.486 492 H PHE 582 H PHE 582 8.400 -5.338 3.011 493 HA PHE 582 HA PHE 582 6.915 -5.276 0.461 494 HD1 PHE 582 2HD PHE 582 8.717 -4.654 -1.687 495 HD2 PHE 582 1HD PHE 582 10.771 -4.915 2.083 496 HE1 PHE 582 2HE PHE 582 9.932 -2.538 -2.200 497 HE2 PHE 582 1HE PHE 582 11.975 -2.803 1.560 498 HZ PHE 582 HZ PHE 582 11.565 -1.612 -0.568 499 HB2 PHE 582 1HB PHE 582 9.373 -6.753 1.323 500 HB3 PHE 582 2HB PHE 582 8.739 -6.792 -0.286 501 H TYR 583 H TYR 583 5.607 -6.956 -0.231 502 HA TYR 583 HA TYR 583 5.422 -9.478 1.315 503 HD1 TYR 583 1HD TYR 583 1.747 -9.124 -0.416 504 HD2 TYR 583 2HD TYR 583 3.491 -5.580 1.222 505 HE1 TYR 583 1HE TYR 583 0.590 -7.863 -2.166 506 HE2 TYR 583 2HE TYR 583 2.203 -4.216 -0.387 507 HH TYR 583 HH TYR 583 0.947 -4.178 -2.241 508 HB2 TYR 583 1HB TYR 583 3.048 -9.229 1.570 509 HB3 TYR 583 2HB TYR 583 3.796 -7.813 2.295 510 H THR 584 H THR 584 3.712 -10.965 0.062 511 HA THR 584 HA THR 584 4.333 -10.628 -2.835 512 HB THR 584 HB THR 584 4.384 -12.928 -3.059 513 HG1 THR 584 1HG THR 584 3.942 -14.254 -1.040 514 HG21 THR 584 3HG2 THR 584 5.702 -12.534 -0.355 515 HG22 THR 584 1HG2 THR 584 6.144 -13.671 -1.641 516 HG23 THR 584 2HG2 THR 584 6.377 -11.934 -1.891 517 H SER 585 H SER 585 2.673 -11.125 -4.430 518 HA SER 585 HA SER 585 -0.014 -10.629 -3.584 519 HG SER 585 HG SER 585 0.823 -9.858 -6.948 520 HB2 SER 585 1HB SER 585 1.197 -11.812 -6.118 521 HB3 SER 585 2HB SER 585 -0.538 -11.465 -5.922 522 H LYS 586 H LYS 586 2.015 -13.514 -3.418 523 HA LYS 586 HA LYS 586 -0.080 -15.463 -3.919 524 HB2 LYS 586 1HB LYS 586 2.572 -15.961 -2.507 525 HB3 LYS 586 2HB LYS 586 1.503 -17.130 -3.240 526 HG2 LYS 586 1HG LYS 586 3.095 -17.054 -4.825 527 HG3 LYS 586 2HG LYS 586 1.989 -15.840 -5.480 528 HD2 LYS 586 1HD LYS 586 3.426 -14.046 -4.805 529 HD3 LYS 586 2HD LYS 586 4.317 -15.102 -3.668 530 HE2 LYS 586 1HE LYS 586 5.161 -16.419 -5.582 531 HE3 LYS 586 2HE LYS 586 4.354 -15.300 -6.695 532 HZ1 LYS 586 3HZ LYS 586 6.445 -14.478 -4.768 533 HZ2 LYS 586 1HZ LYS 586 6.714 -14.838 -6.343 534 HZ3 LYS 586 2HZ LYS 586 5.744 -13.575 -6.021 535 H GLU 587 H GLU 587 1.188 -13.758 -1.081 536 HA GLU 587 HA GLU 587 0.062 -15.560 0.845 537 HB2 GLU 587 1HB GLU 587 1.780 -13.631 1.144 538 HB3 GLU 587 2HB GLU 587 0.376 -12.571 1.268 539 HG2 GLU 587 1HG GLU 587 0.026 -13.233 3.441 540 HG3 GLU 587 2HG GLU 587 -0.017 -14.904 2.968 541 HA PRO 588 HA PRO 588 -4.290 -14.728 -0.138 542 HB2 PRO 588 1HB PRO 588 -4.828 -14.909 2.799 543 HB3 PRO 588 2HB PRO 588 -5.577 -15.803 1.449 544 HG2 PRO 588 1HG PRO 588 -3.788 -17.004 3.114 545 HG3 PRO 588 2HG PRO 588 -3.824 -17.335 1.362 546 HD2 PRO 588 1HD PRO 588 -1.988 -15.531 2.878 547 HD3 PRO 588 2HD PRO 588 -1.570 -16.659 1.596 548 H VAL 589 H VAL 589 -5.400 -12.777 -0.361 549 HA VAL 589 HA VAL 589 -4.529 -10.368 0.745 550 HB VAL 589 HB VAL 589 -7.414 -11.159 0.050 551 HG11 VAL 589 1HG1 VAL 589 -7.340 -9.094 1.423 552 HG12 VAL 589 2HG1 VAL 589 -6.149 -8.384 0.319 553 HG13 VAL 589 3HG1 VAL 589 -7.803 -8.746 -0.235 554 HG21 VAL 589 3HG2 VAL 589 -5.305 -9.698 -1.565 555 HG22 VAL 589 1HG2 VAL 589 -5.826 -11.375 -1.861 556 HG23 VAL 589 2HG2 VAL 589 -6.960 -10.049 -2.095 557 H ALA 590 H ALA 590 -6.816 -12.741 2.160 558 HA ALA 590 HA ALA 590 -7.507 -11.103 4.419 559 HB1 ALA 590 1HB ALA 590 -8.246 -13.207 5.473 560 HB2 ALA 590 2HB ALA 590 -8.827 -13.068 3.803 561 HB3 ALA 590 3HB ALA 590 -7.453 -14.136 4.180 562 H SER 591 H SER 591 -4.870 -13.540 3.996 563 HA SER 591 HA SER 591 -3.926 -13.418 6.690 564 HG SER 591 HG SER 591 -2.088 -15.215 6.693 565 HB2 SER 591 1HB SER 591 -3.433 -15.196 4.930 566 HB3 SER 591 2HB SER 591 -2.381 -14.005 4.142 567 H ILE 592 H ILE 592 -2.911 -11.667 3.651 568 HA ILE 592 HA ILE 592 -0.796 -10.397 4.888 569 HB ILE 592 HB ILE 592 -1.698 -10.916 2.324 570 HG12 ILE 592 1HG1 ILE 592 0.575 -10.972 3.101 571 HG13 ILE 592 2HG1 ILE 592 0.447 -10.020 1.622 572 HG21 ILE 592 1HG2 ILE 592 -1.734 -7.911 2.592 573 HG22 ILE 592 2HG2 ILE 592 -1.664 -8.835 1.082 574 HG23 ILE 592 3HG2 ILE 592 -3.087 -8.969 2.133 575 HD11 ILE 592 3HD1 ILE 592 1.946 -9.095 3.475 576 HD12 ILE 592 1HD1 ILE 592 0.721 -7.971 2.835 577 HD13 ILE 592 2HD1 ILE 592 0.493 -8.775 4.403 578 H ILE 593 H ILE 593 -4.168 -9.409 4.400 579 HA ILE 593 HA ILE 593 -3.995 -6.787 5.520 580 HB ILE 593 HB ILE 593 -6.194 -8.860 5.210 581 HG12 ILE 593 1HG1 ILE 593 -5.570 -6.145 3.946 582 HG13 ILE 593 2HG1 ILE 593 -5.394 -7.700 3.187 583 HG21 ILE 593 1HG2 ILE 593 -7.834 -7.224 5.964 584 HG22 ILE 593 2HG2 ILE 593 -6.761 -7.676 7.266 585 HG23 ILE 593 3HG2 ILE 593 -6.559 -6.106 6.442 586 HD11 ILE 593 3HD1 ILE 593 -7.930 -7.977 3.433 587 HD12 ILE 593 1HD1 ILE 593 -7.950 -6.255 3.893 588 HD13 ILE 593 2HD1 ILE 593 -7.356 -6.729 2.302 589 H THR 594 H THR 594 -5.008 -9.825 7.312 590 HA THR 594 HA THR 594 -4.808 -8.963 9.854 591 HB THR 594 HB THR 594 -3.574 -11.525 8.743 592 HG1 THR 594 1HG THR 594 -6.236 -10.833 9.490 593 HG21 THR 594 3HG2 THR 594 -4.815 -10.992 11.489 594 HG22 THR 594 1HG2 THR 594 -4.319 -12.580 10.875 595 HG23 THR 594 2HG2 THR 594 -3.107 -11.335 11.159 596 H LYS 595 H LYS 595 -1.757 -9.722 7.930 597 HA LYS 595 HA LYS 595 -0.036 -9.282 10.170 598 HB2 LYS 595 1HB LYS 595 0.298 -9.165 7.154 599 HB3 LYS 595 2HB LYS 595 1.615 -8.833 8.262 600 HG2 LYS 595 1HG LYS 595 1.887 -11.018 8.902 601 HG3 LYS 595 2HG LYS 595 0.139 -11.329 8.897 602 HD2 LYS 595 1HD LYS 595 0.141 -11.283 6.454 603 HD3 LYS 595 2HD LYS 595 1.922 -11.217 6.431 604 HE2 LYS 595 1HE LYS 595 0.054 -13.427 7.342 605 HE3 LYS 595 2HE LYS 595 1.252 -13.486 6.043 606 HZ1 LYS 595 3HZ LYS 595 2.978 -13.331 7.788 607 HZ2 LYS 595 1HZ LYS 595 1.787 -13.423 8.939 608 HZ3 LYS 595 2HZ LYS 595 2.036 -14.673 7.892 609 H LEU 596 H LEU 596 -0.991 -7.045 7.400 610 HA LEU 596 HA LEU 596 0.481 -4.829 8.354 611 HG LEU 596 HG LEU 596 -2.199 -3.573 6.781 612 HB2 LEU 596 1HB LEU 596 0.190 -5.205 6.022 613 HB3 LEU 596 2HB LEU 596 -1.468 -5.753 6.238 614 HD11 LEU 596 1HD1 LEU 596 0.559 -2.818 5.744 615 HD12 LEU 596 2HD1 LEU 596 -0.740 -1.633 6.050 616 HD13 LEU 596 3HD1 LEU 596 0.043 -2.512 7.392 617 HD21 LEU 596 3HD2 LEU 596 -2.356 -2.802 4.485 618 HD22 LEU 596 1HD2 LEU 596 -0.857 -3.657 4.056 619 HD23 LEU 596 2HD2 LEU 596 -2.298 -4.588 4.447 620 H ASN 597 H ASN 597 -2.644 -6.090 9.117 621 HA ASN 597 HA ASN 597 -3.848 -3.720 10.190 622 HB2 ASN 597 1HB ASN 597 -4.082 -6.648 11.025 623 HB3 ASN 597 2HB ASN 597 -5.095 -5.357 11.616 624 HD21 ASN 597 1HD2 ASN 597 -6.556 -7.155 10.702 625 HD22 ASN 597 2HD2 ASN 597 -7.057 -6.955 9.014 626 H SER 598 H SER 598 -1.193 -5.887 11.493 627 HA SER 598 HA SER 598 -2.085 -5.696 14.231 628 HG SER 598 HG SER 598 1.302 -7.686 13.832 629 HB2 SER 598 1HB SER 598 -0.948 -7.571 14.276 630 HB3 SER 598 2HB SER 598 -0.429 -7.346 12.634 631 H LEU 599 H LEU 599 0.360 -4.652 12.160 632 HA LEU 599 HA LEU 599 2.027 -3.225 13.655 633 HG LEU 599 HG LEU 599 3.222 -4.391 12.422 634 HB2 LEU 599 1HB LEU 599 1.328 -2.726 10.760 635 HB3 LEU 599 2HB LEU 599 2.632 -1.891 11.605 636 HD11 LEU 599 1HD1 LEU 599 2.924 -5.933 10.505 637 HD12 LEU 599 2HD1 LEU 599 1.724 -5.635 11.760 638 HD13 LEU 599 3HD1 LEU 599 1.533 -4.896 10.141 639 HD21 LEU 599 3HD2 LEU 599 4.836 -4.568 10.552 640 HD22 LEU 599 1HD2 LEU 599 3.805 -3.548 9.514 641 HD23 LEU 599 2HD2 LEU 599 4.676 -2.842 10.887 642 H ASN 600 H ASN 600 -0.872 -2.077 12.036 643 HA ASN 600 HA ASN 600 -2.492 -0.559 12.594 644 HB2 ASN 600 1HB ASN 600 -2.127 -1.631 14.861 645 HB3 ASN 600 2HB ASN 600 -1.123 -0.222 15.266 646 HD21 ASN 600 1HD2 ASN 600 -2.592 0.257 17.024 647 HD22 ASN 600 2HD2 ASN 600 -4.165 0.935 16.720 648 H GLU 601 H GLU 601 0.111 0.240 11.385 649 HA GLU 601 HA GLU 601 0.698 2.886 12.368 650 HB2 GLU 601 1HB GLU 601 1.692 1.113 10.152 651 HB3 GLU 601 2HB GLU 601 2.231 2.775 10.243 652 HG2 GLU 601 1HG GLU 601 2.487 0.943 12.666 653 HG3 GLU 601 2HG GLU 601 3.651 0.936 11.360 654 HA PRO 602 HA PRO 602 -1.969 4.979 9.440 655 HB2 PRO 602 1HB PRO 602 -0.786 7.469 9.265 656 HB3 PRO 602 2HB PRO 602 -1.745 6.875 10.650 657 HG2 PRO 602 1HG PRO 602 1.268 6.894 10.326 658 HG3 PRO 602 2HG PRO 602 0.298 7.387 11.759 659 HD2 PRO 602 1HD PRO 602 1.488 4.934 11.527 660 HD3 PRO 602 2HD PRO 602 -0.078 5.153 12.369 661 H LEU 603 H LEU 603 -1.904 4.049 7.527 662 HA LEU 603 HA LEU 603 0.542 4.169 5.872 663 HG LEU 603 HG LEU 603 -0.344 2.093 7.416 664 HB2 LEU 603 1HB LEU 603 -1.992 2.678 5.172 665 HB3 LEU 603 2HB LEU 603 -0.342 2.467 4.572 666 HD11 LEU 603 1HD1 LEU 603 -2.176 0.249 5.832 667 HD12 LEU 603 2HD1 LEU 603 -1.652 0.015 7.514 668 HD13 LEU 603 3HD1 LEU 603 -2.685 1.386 7.111 669 HD21 LEU 603 3HD2 LEU 603 0.282 0.221 5.132 670 HD22 LEU 603 1HD2 LEU 603 1.415 1.389 5.854 671 HD23 LEU 603 2HD2 LEU 603 0.793 0.045 6.831 672 H VAL 604 H VAL 604 -0.066 4.017 3.363 673 HA VAL 604 HA VAL 604 -1.958 5.923 2.246 674 HB VAL 604 HB VAL 604 -0.241 7.398 3.133 675 HG11 VAL 604 1HG1 VAL 604 2.064 7.416 2.739 676 HG12 VAL 604 2HG1 VAL 604 1.690 5.756 3.189 677 HG13 VAL 604 3HG1 VAL 604 1.986 6.178 1.493 678 HG21 VAL 604 3HG2 VAL 604 -1.145 8.098 1.008 679 HG22 VAL 604 1HG2 VAL 604 0.584 8.533 1.148 680 HG23 VAL 604 2HG2 VAL 604 0.093 7.159 0.141 681 H THR 605 H THR 605 -2.564 3.845 1.084 682 HA THR 605 HA THR 605 -0.753 3.252 -1.103 683 HB THR 605 HB THR 605 0.013 1.787 0.918 684 HG1 THR 605 1HG THR 605 0.757 1.517 -1.023 685 HG21 THR 605 3HG2 THR 605 -1.586 0.603 1.945 686 HG22 THR 605 1HG2 THR 605 -2.705 0.627 0.585 687 HG23 THR 605 2HG2 THR 605 -1.395 -0.520 0.578 688 H MET 606 H MET 606 -1.678 1.889 -2.804 689 HA MET 606 HA MET 606 -4.479 2.209 -3.203 690 HB2 MET 606 1HB MET 606 -2.408 0.374 -4.502 691 HB3 MET 606 2HB MET 606 -4.046 0.627 -5.095 692 HG2 MET 606 1HG MET 606 -2.964 2.179 -6.376 693 HG3 MET 606 2HG MET 606 -3.396 3.190 -5.020 694 HE1 MET 606 3HE MET 606 0.683 2.298 -6.753 695 HE2 MET 606 1HE MET 606 -0.356 0.892 -6.456 696 HE3 MET 606 2HE MET 606 -0.925 2.219 -7.494 697 HA PRO 607 HA PRO 607 -6.344 -0.998 -0.939 698 HB2 PRO 607 1HB PRO 607 -7.448 -2.168 -3.467 699 HB3 PRO 607 2HB PRO 607 -8.309 -1.783 -1.943 700 HG2 PRO 607 1HG PRO 607 -8.482 -0.177 -4.122 701 HG3 PRO 607 2HG PRO 607 -8.312 0.537 -2.489 702 HD2 PRO 607 1HD PRO 607 -6.219 0.192 -4.612 703 HD3 PRO 607 2HD PRO 607 -6.481 1.529 -3.447 704 H ILE 608 H ILE 608 -6.008 -3.123 -0.190 705 HA ILE 608 HA ILE 608 -3.480 -4.178 -1.072 706 HB ILE 608 HB ILE 608 -5.403 -4.794 1.189 707 HG12 ILE 608 1HG1 ILE 608 -4.110 -2.651 1.266 708 HG13 ILE 608 2HG1 ILE 608 -3.822 -3.732 2.614 709 HG21 ILE 608 1HG2 ILE 608 -2.801 -6.219 0.605 710 HG22 ILE 608 2HG2 ILE 608 -3.548 -6.164 2.218 711 HG23 ILE 608 3HG2 ILE 608 -4.404 -6.919 0.871 712 HD11 ILE 608 3HD1 ILE 608 -1.899 -3.514 0.272 713 HD12 ILE 608 1HD1 ILE 608 -1.784 -2.575 1.771 714 HD13 ILE 608 2HD1 ILE 608 -1.652 -4.332 1.827 715 H GLY 609 H GLY 609 -6.815 -5.541 -1.058 716 HA2 GLY 609 1HA GLY 609 -5.840 -7.776 -2.753 717 HA3 GLY 609 2HA GLY 609 -7.462 -7.593 -2.047 718 H TYR 610 H TYR 610 -5.274 -6.225 -4.463 719 HA TYR 610 HA TYR 610 -7.639 -5.598 -6.161 720 HD1 TYR 610 2HD TYR 610 -8.729 -4.420 -7.486 721 HD2 TYR 610 1HD TYR 610 -5.631 -1.438 -6.780 722 HE1 TYR 610 2HE TYR 610 -9.501 -3.172 -9.364 723 HE2 TYR 610 1HE TYR 610 -6.488 -0.143 -8.691 724 HH TYR 610 HH TYR 610 -8.327 -1.551 -11.029 725 HB2 TYR 610 1HB TYR 610 -6.971 -3.553 -4.940 726 HB3 TYR 610 2HB TYR 610 -5.411 -3.597 -5.744 727 H VAL 611 H VAL 611 -5.950 -4.456 -8.211 728 HA VAL 611 HA VAL 611 -5.436 -6.146 -10.046 729 HB VAL 611 HB VAL 611 -3.380 -4.823 -10.723 730 HG11 VAL 611 1HG1 VAL 611 -5.912 -3.316 -9.965 731 HG12 VAL 611 2HG1 VAL 611 -4.666 -2.718 -11.073 732 HG13 VAL 611 3HG1 VAL 611 -5.576 -4.178 -11.489 733 HG21 VAL 611 3HG2 VAL 611 -3.981 -3.230 -8.174 734 HG22 VAL 611 1HG2 VAL 611 -2.477 -4.104 -8.547 735 HG23 VAL 611 2HG2 VAL 611 -2.937 -2.712 -9.489 736 H THR 612 H THR 612 -2.801 -5.769 -7.639 737 HA THR 612 HA THR 612 -1.044 -7.743 -8.588 738 HB THR 612 HB THR 612 -0.381 -7.582 -6.029 739 HG1 THR 612 1HG THR 612 -1.589 -6.328 -4.859 740 HG21 THR 612 3HG2 THR 612 0.837 -6.340 -7.693 741 HG22 THR 612 1HG2 THR 612 -0.441 -5.125 -7.866 742 HG23 THR 612 2HG2 THR 612 0.491 -5.234 -6.358 743 H HIS 613 H HIS 613 -3.591 -7.923 -6.065 744 HA HIS 613 HA HIS 613 -3.249 -10.811 -5.733 745 HD1 HIS 613 1HD HIS 613 -2.610 -7.976 -2.894 746 HD2 HIS 613 2HD HIS 613 -3.662 -12.102 -3.050 747 HE1 HIS 613 1HE HIS 613 -1.165 -9.208 -1.174 748 HE2 HIS 613 2HE HIS 613 -1.821 -11.720 -1.305 749 HB2 HIS 613 1HB HIS 613 -4.844 -8.645 -4.415 750 HB3 HIS 613 2HB HIS 613 -5.357 -10.309 -4.229 751 H GLY 614 H GLY 614 -4.457 -9.235 -8.330 752 HA2 GLY 614 1HA GLY 614 -5.959 -9.757 -9.939 753 HA3 GLY 614 2HA GLY 614 -5.967 -11.397 -9.253 754 H PHE 615 H PHE 615 -7.136 -8.195 -8.061 755 HA PHE 615 HA PHE 615 -9.847 -9.369 -7.494 756 HD1 PHE 615 2HD PHE 615 -8.404 -10.925 -6.042 757 HD2 PHE 615 1HD PHE 615 -9.898 -7.819 -3.519 758 HE1 PHE 615 2HE PHE 615 -8.676 -12.567 -4.207 759 HE2 PHE 615 1HE PHE 615 -10.103 -9.398 -1.627 760 HZ PHE 615 HZ PHE 615 -9.521 -11.814 -1.971 761 HB2 PHE 615 1HB PHE 615 -7.939 -7.805 -5.840 762 HB3 PHE 615 2HB PHE 615 -9.639 -7.392 -5.738 763 H ASN 616 H ASN 616 -11.468 -7.828 -7.492 764 HA ASN 616 HA ASN 616 -11.105 -5.582 -9.440 765 HB2 ASN 616 1HB ASN 616 -13.622 -6.406 -7.906 766 HB3 ASN 616 2HB ASN 616 -13.547 -5.224 -9.209 767 HD21 ASN 616 1HD2 ASN 616 -15.213 -7.625 -8.969 768 HD22 ASN 616 2HD2 ASN 616 -14.797 -8.704 -10.248 769 H LEU 617 H LEU 617 -11.992 -3.483 -8.852 770 HA LEU 617 HA LEU 617 -10.835 -2.430 -6.502 771 HG LEU 617 HG LEU 617 -12.625 0.170 -6.329 772 HB2 LEU 617 1HB LEU 617 -11.315 -1.247 -8.680 773 HB3 LEU 617 2HB LEU 617 -13.035 -1.268 -8.271 774 HD11 LEU 617 1HD1 LEU 617 -9.694 0.129 -7.235 775 HD12 LEU 617 2HD1 LEU 617 -10.373 1.236 -6.018 776 HD13 LEU 617 3HD1 LEU 617 -10.327 -0.491 -5.696 777 HD21 LEU 617 3HD2 LEU 617 -11.333 1.224 -8.875 778 HD22 LEU 617 1HD2 LEU 617 -13.075 1.194 -8.524 779 HD23 LEU 617 2HD2 LEU 617 -12.007 2.213 -7.550 780 H GLU 618 H GLU 618 -14.148 -3.545 -7.199 781 HA GLU 618 HA GLU 618 -15.349 -2.745 -4.737 782 HB2 GLU 618 1HB GLU 618 -16.649 -3.473 -6.668 783 HB3 GLU 618 2HB GLU 618 -15.950 -5.105 -6.577 784 HG2 GLU 618 1HG GLU 618 -16.941 -5.289 -4.229 785 HG3 GLU 618 2HG GLU 618 -17.685 -3.709 -4.460 786 H GLU 619 H GLU 619 -14.019 -5.976 -5.685 787 HA GLU 619 HA GLU 619 -14.428 -7.152 -3.152 788 HB2 GLU 619 1HB GLU 619 -12.902 -7.776 -5.613 789 HB3 GLU 619 2HB GLU 619 -12.312 -8.570 -4.139 790 HG2 GLU 619 1HG GLU 619 -15.286 -8.517 -4.769 791 HG3 GLU 619 2HG GLU 619 -14.218 -9.704 -5.474 792 H ALA 620 H ALA 620 -11.590 -5.402 -4.470 793 HA ALA 620 HA ALA 620 -9.880 -5.545 -2.301 794 HB1 ALA 620 1HB ALA 620 -8.820 -3.722 -3.181 795 HB2 ALA 620 2HB ALA 620 -9.644 -4.315 -4.610 796 HB3 ALA 620 3HB ALA 620 -10.313 -2.912 -3.763 797 H ALA 621 H ALA 621 -12.585 -3.247 -2.683 798 HA ALA 621 HA ALA 621 -12.180 -1.864 -0.204 799 HB1 ALA 621 1HB ALA 621 -14.624 -1.260 -0.574 800 HB2 ALA 621 2HB ALA 621 -13.517 -0.811 -1.890 801 HB3 ALA 621 3HB ALA 621 -14.565 -2.219 -2.043 802 H ARG 622 H ARG 622 -14.253 -4.619 -1.186 803 HA ARG 622 HA ARG 622 -15.492 -5.021 1.343 804 HE ARG 622 HE ARG 622 -16.441 -8.635 -1.786 805 HB2 ARG 622 1HB ARG 622 -14.807 -7.330 -0.519 806 HB3 ARG 622 2HB ARG 622 -16.130 -7.184 0.637 807 HG2 ARG 622 1HG ARG 622 -16.763 -5.078 -0.930 808 HG3 ARG 622 2HG ARG 622 -15.862 -6.025 -2.109 809 HD2 ARG 622 1HD ARG 622 -18.323 -6.813 -0.623 810 HD3 ARG 622 2HD ARG 622 -18.172 -6.494 -2.355 811 HH11 ARG 622 2HH2 ARG 622 -19.887 -7.968 -2.069 812 HH12 ARG 622 1HH2 ARG 622 -20.435 -9.584 -1.809 813 HH21 ARG 622 2HH1 ARG 622 -17.071 -10.850 -1.570 814 HH22 ARG 622 1HH1 ARG 622 -18.718 -11.312 -1.872 815 H CYS 623 H CYS 623 -12.423 -6.405 0.069 816 HA CYS 623 HA CYS 623 -11.846 -7.815 2.499 817 HG CYS 623 HG CYS 623 -11.490 -9.741 1.084 818 HB2 CYS 623 1HB CYS 623 -10.683 -7.561 -0.110 819 HB3 CYS 623 2HB CYS 623 -9.416 -7.163 1.052 820 H MET 624 H MET 624 -11.117 -4.442 1.480 821 HA MET 624 HA MET 624 -9.262 -3.918 3.619 822 HB2 MET 624 1HB MET 624 -10.951 -2.123 1.844 823 HB3 MET 624 2HB MET 624 -10.157 -1.483 3.274 824 HG2 MET 624 1HG MET 624 -8.039 -2.758 2.236 825 HG3 MET 624 2HG MET 624 -8.926 -2.424 0.741 826 HE1 MET 624 3HE MET 624 -6.101 -0.899 2.871 827 HE2 MET 624 1HE MET 624 -6.057 -1.385 1.161 828 HE3 MET 624 2HE MET 624 -5.897 0.344 1.592 829 H ARG 625 H ARG 625 -12.783 -4.272 3.719 830 HA ARG 625 HA ARG 625 -13.135 -2.764 6.127 831 HE ARG 625 HE ARG 625 -17.657 -4.525 5.815 832 HB2 ARG 625 1HB ARG 625 -14.651 -5.115 4.936 833 HB3 ARG 625 2HB ARG 625 -15.143 -4.256 6.399 834 HG2 ARG 625 1HG ARG 625 -15.216 -2.101 5.093 835 HG3 ARG 625 2HG ARG 625 -14.775 -2.985 3.629 836 HD2 ARG 625 1HD ARG 625 -17.207 -2.536 3.726 837 HD3 ARG 625 2HD ARG 625 -16.841 -4.266 3.704 838 HH11 ARG 625 2HH2 ARG 625 -17.758 -0.996 5.165 839 HH12 ARG 625 1HH2 ARG 625 -18.226 -0.607 6.772 840 HH21 ARG 625 2HH1 ARG 625 -18.089 -3.997 7.869 841 HH22 ARG 625 1HH1 ARG 625 -18.394 -2.345 8.381 842 H SER 626 H SER 626 -11.580 -5.864 5.630 843 HA SER 626 HA SER 626 -11.554 -6.566 8.474 844 HG SER 626 HG SER 626 -10.942 -9.367 6.357 845 HB2 SER 626 1HB SER 626 -9.916 -7.446 6.051 846 HB3 SER 626 2HB SER 626 -9.685 -8.102 7.677 847 H LEU 627 H LEU 627 -9.794 -4.146 6.603 848 HA LEU 627 HA LEU 627 -7.372 -4.413 8.239 849 HG LEU 627 HG LEU 627 -6.002 -1.559 6.185 850 HB2 LEU 627 1HB LEU 627 -6.955 -3.650 6.043 851 HB3 LEU 627 2HB LEU 627 -8.232 -2.455 6.092 852 HD11 LEU 627 1HD1 LEU 627 -7.834 -0.248 6.733 853 HD12 LEU 627 2HD1 LEU 627 -7.468 -0.421 8.449 854 HD13 LEU 627 3HD1 LEU 627 -6.291 0.298 7.343 855 HD21 LEU 627 3HD2 LEU 627 -5.428 -2.539 8.936 856 HD22 LEU 627 1HD2 LEU 627 -4.706 -3.080 7.460 857 HD23 LEU 627 2HD2 LEU 627 -4.492 -1.421 7.932 858 H LYS 628 H LYS 628 -6.833 -3.124 9.923 859 HA LYS 628 HA LYS 628 -8.730 -1.062 10.494 860 HB2 LYS 628 1HB LYS 628 -7.740 -3.058 12.608 861 HB3 LYS 628 2HB LYS 628 -8.991 -1.870 12.898 862 HG2 LYS 628 1HG LYS 628 -9.287 -4.193 10.947 863 HG3 LYS 628 2HG LYS 628 -9.768 -4.262 12.582 864 HD2 LYS 628 1HD LYS 628 -10.814 -1.984 10.900 865 HD3 LYS 628 2HD LYS 628 -11.471 -3.603 10.665 866 HE2 LYS 628 1HE LYS 628 -12.365 -3.707 12.799 867 HE3 LYS 628 2HE LYS 628 -11.346 -2.392 13.423 868 HZ1 LYS 628 3HZ LYS 628 -13.504 -2.067 11.427 869 HZ2 LYS 628 1HZ LYS 628 -13.617 -1.643 13.019 870 HZ3 LYS 628 2HZ LYS 628 -12.577 -0.849 12.018 871 H ALA 629 H ALA 629 -5.797 -0.975 9.796 872 HA ALA 629 HA ALA 629 -4.708 0.678 11.970 873 HB1 ALA 629 1HB ALA 629 -3.285 -0.812 10.418 874 HB2 ALA 629 2HB ALA 629 -3.709 0.329 9.109 875 HB3 ALA 629 3HB ALA 629 -2.800 0.886 10.514 876 HA PRO 630 HA PRO 630 -6.312 4.442 9.883 877 HB2 PRO 630 1HB PRO 630 -3.798 5.901 9.990 878 HB3 PRO 630 2HB PRO 630 -5.243 6.171 10.957 879 HG2 PRO 630 1HG PRO 630 -2.842 5.167 11.996 880 HG3 PRO 630 2HG PRO 630 -4.464 5.015 12.729 881 HD2 PRO 630 1HD PRO 630 -2.925 3.004 11.140 882 HD3 PRO 630 2HD PRO 630 -4.002 2.749 12.531 883 H ALA 631 H ALA 631 -6.301 5.015 7.609 884 HA ALA 631 HA ALA 631 -3.826 4.492 6.075 885 HB1 ALA 631 1HB ALA 631 -5.086 3.024 4.527 886 HB2 ALA 631 2HB ALA 631 -4.966 2.315 6.160 887 HB3 ALA 631 3HB ALA 631 -6.477 3.076 5.618 888 H VAL 632 H VAL 632 -3.688 5.775 4.354 889 HA VAL 632 HA VAL 632 -6.086 7.058 3.179 890 HB VAL 632 HB VAL 632 -3.134 7.614 2.940 891 HG11 VAL 632 1HG1 VAL 632 -3.665 9.251 1.169 892 HG12 VAL 632 2HG1 VAL 632 -3.930 7.587 0.638 893 HG13 VAL 632 3HG1 VAL 632 -5.322 8.591 1.089 894 HG21 VAL 632 3HG2 VAL 632 -4.395 8.790 4.735 895 HG22 VAL 632 1HG2 VAL 632 -3.909 9.937 3.460 896 HG23 VAL 632 2HG2 VAL 632 -5.574 9.350 3.539 897 H VAL 633 H VAL 633 -7.088 5.788 1.725 898 HA VAL 633 HA VAL 633 -5.564 3.678 0.347 899 HB VAL 633 HB VAL 633 -8.529 4.197 0.276 900 HG11 VAL 633 1HG1 VAL 633 -8.395 1.713 -0.413 901 HG12 VAL 633 2HG1 VAL 633 -7.858 2.873 -1.624 902 HG13 VAL 633 3HG1 VAL 633 -6.672 1.952 -0.659 903 HG21 VAL 633 3HG2 VAL 633 -8.696 2.335 1.866 904 HG22 VAL 633 1HG2 VAL 633 -6.913 2.225 1.952 905 HG23 VAL 633 2HG2 VAL 633 -7.758 3.607 2.613 906 H SER 634 H SER 634 -5.805 3.759 -2.269 907 HA SER 634 HA SER 634 -6.834 6.259 -3.276 908 HG SER 634 HG SER 634 -5.725 7.886 -4.123 909 HB2 SER 634 1HB SER 634 -4.348 6.643 -2.457 910 HB3 SER 634 2HB SER 634 -3.962 5.736 -3.944 911 H VAL 635 H VAL 635 -6.346 6.523 -5.665 912 HA VAL 635 HA VAL 635 -6.447 4.074 -7.243 913 HB VAL 635 HB VAL 635 -8.703 5.013 -8.110 914 HG11 VAL 635 1HG1 VAL 635 -8.488 2.815 -6.992 915 HG12 VAL 635 2HG1 VAL 635 -8.704 3.594 -5.409 916 HG13 VAL 635 3HG1 VAL 635 -10.019 3.617 -6.592 917 HG21 VAL 635 3HG2 VAL 635 -10.139 6.093 -6.488 918 HG22 VAL 635 1HG2 VAL 635 -8.911 6.129 -5.248 919 HG23 VAL 635 2HG2 VAL 635 -8.718 7.106 -6.724 920 H SER 636 H SER 636 -6.816 4.658 -9.536 921 HA SER 636 HA SER 636 -5.045 6.702 -10.271 922 HG SER 636 HG SER 636 -4.351 5.739 -12.821 923 HB2 SER 636 1HB SER 636 -6.325 4.373 -11.455 924 HB3 SER 636 2HB SER 636 -6.416 5.692 -12.595 925 H SER 637 H SER 637 -8.275 7.356 -9.506 926 HA SER 637 HA SER 637 -8.288 9.762 -11.151 927 HG SER 637 HG SER 637 -10.740 6.735 -12.360 928 HB2 SER 637 1HB SER 637 -10.749 8.993 -11.835 929 HB3 SER 637 2HB SER 637 -9.350 8.580 -12.826 930 HA PRO 638 HA PRO 638 -10.563 10.998 -7.570 931 HB2 PRO 638 1HB PRO 638 -12.003 13.140 -8.437 932 HB3 PRO 638 2HB PRO 638 -10.215 13.162 -8.294 933 HG2 PRO 638 1HG PRO 638 -11.890 12.787 -10.776 934 HG3 PRO 638 2HG PRO 638 -10.393 13.739 -10.543 935 HD2 PRO 638 1HD PRO 638 -10.503 11.184 -11.622 936 HD3 PRO 638 2HD PRO 638 -9.042 11.867 -10.875 937 H ASP 639 H ASP 639 -12.416 10.470 -10.584 938 HA ASP 639 HA ASP 639 -14.952 9.859 -9.829 939 HB2 ASP 639 1HB ASP 639 -12.983 8.396 -11.610 940 HB3 ASP 639 2HB ASP 639 -14.670 7.985 -11.561 941 H ALA 640 H ALA 640 -12.098 7.741 -9.572 942 HA ALA 640 HA ALA 640 -13.678 5.443 -8.799 943 HB1 ALA 640 1HB ALA 640 -10.678 5.914 -8.994 944 HB2 ALA 640 2HB ALA 640 -11.441 4.339 -8.677 945 HB3 ALA 640 3HB ALA 640 -11.724 5.168 -10.220 946 H VAL 641 H VAL 641 -12.188 8.056 -7.109 947 HA VAL 641 HA VAL 641 -11.567 6.789 -4.606 948 HB VAL 641 HB VAL 641 -12.473 9.618 -5.297 949 HG11 VAL 641 1HG1 VAL 641 -10.962 8.579 -2.870 950 HG12 VAL 641 2HG1 VAL 641 -11.380 10.281 -3.173 951 HG13 VAL 641 3HG1 VAL 641 -12.665 9.120 -2.846 952 HG21 VAL 641 3HG2 VAL 641 -10.353 9.058 -6.410 953 HG22 VAL 641 1HG2 VAL 641 -10.077 10.245 -5.141 954 HG23 VAL 641 2HG2 VAL 641 -9.654 8.533 -4.880 955 H THR 642 H THR 642 -14.440 8.559 -5.869 956 HA THR 642 HA THR 642 -16.019 8.123 -3.558 957 HB THR 642 HB THR 642 -16.792 8.825 -6.416 958 HG1 THR 642 1HG THR 642 -16.033 10.689 -6.066 959 HG21 THR 642 3HG2 THR 642 -18.760 8.327 -5.048 960 HG22 THR 642 1HG2 THR 642 -18.128 9.264 -3.702 961 HG23 THR 642 2HG2 THR 642 -18.634 10.095 -5.187 962 H THR 643 H THR 643 -15.704 6.324 -6.695 963 HA THR 643 HA THR 643 -17.767 4.459 -6.195 964 HB THR 643 HB THR 643 -15.142 3.667 -7.484 965 HG1 THR 643 1HG THR 643 -16.930 5.643 -8.426 966 HG21 THR 643 3HG2 THR 643 -16.554 2.486 -9.055 967 HG22 THR 643 1HG2 THR 643 -17.131 2.114 -7.416 968 HG23 THR 643 2HG2 THR 643 -18.002 3.290 -8.416 969 H TYR 644 H TYR 644 -14.281 4.381 -5.254 970 HA TYR 644 HA TYR 644 -14.376 1.857 -4.041 971 HD1 TYR 644 1HD TYR 644 -12.032 0.620 -4.290 972 HD2 TYR 644 2HD TYR 644 -11.849 3.642 -1.232 973 HE1 TYR 644 1HE TYR 644 -10.855 -0.991 -2.777 974 HE2 TYR 644 2HE TYR 644 -10.756 2.016 0.301 975 HH TYR 644 HH TYR 644 -9.850 -0.150 0.472 976 HB2 TYR 644 1HB TYR 644 -12.339 3.039 -4.806 977 HB3 TYR 644 2HB TYR 644 -12.515 4.212 -3.501 978 H ASN 645 H ASN 645 -14.657 5.149 -2.562 979 HA ASN 645 HA ASN 645 -15.031 4.367 0.138 980 HB2 ASN 645 1HB ASN 645 -16.311 6.649 -1.420 981 HB3 ASN 645 2HB ASN 645 -16.378 6.461 0.329 982 HD21 ASN 645 1HD2 ASN 645 -15.213 8.626 -1.399 983 HD22 ASN 645 2HD2 ASN 645 -13.533 8.669 -0.967 984 H GLY 646 H GLY 646 -17.254 4.804 -2.531 985 HA2 GLY 646 1HA GLY 646 -19.714 4.106 -1.305 986 HA3 GLY 646 2HA GLY 646 -19.358 4.020 -3.036 987 H TYR 647 H TYR 647 -17.092 1.937 -2.037 988 HA TYR 647 HA TYR 647 -18.929 -0.399 -1.714 989 HD1 TYR 647 2HD TYR 647 -19.225 -1.280 -3.902 990 HD2 TYR 647 1HD TYR 647 -15.105 -0.091 -4.330 991 HE1 TYR 647 2HE TYR 647 -19.496 -1.233 -6.356 992 HE2 TYR 647 1HE TYR 647 -15.352 -0.002 -6.764 993 HH TYR 647 HH TYR 647 -18.512 -0.783 -8.378 994 HB2 TYR 647 1HB TYR 647 -15.966 -0.275 -2.238 995 HB3 TYR 647 2HB TYR 647 -16.931 -1.751 -2.154 996 H LEU 648 H LEU 648 -16.245 1.417 -0.029 997 HA LEU 648 HA LEU 648 -15.910 -0.315 2.162 998 HG LEU 648 HG LEU 648 -13.370 2.360 2.024 999 HB2 LEU 648 1HB LEU 648 -15.498 2.577 1.496 1000 HB3 LEU 648 2HB LEU 648 -15.640 2.239 3.192 1001 HD11 LEU 648 1HD1 LEU 648 -12.384 0.815 3.716 1002 HD12 LEU 648 2HD1 LEU 648 -13.700 1.778 4.407 1003 HD13 LEU 648 3HD1 LEU 648 -13.985 0.085 3.966 1004 HD21 LEU 648 3HD2 LEU 648 -13.857 -0.576 1.493 1005 HD22 LEU 648 1HD2 LEU 648 -13.688 0.716 0.266 1006 HD23 LEU 648 2HD2 LEU 648 -12.333 0.290 1.326 1007 H THR 649 H THR 649 -18.161 2.504 1.818 1008 HA THR 649 HA THR 649 -18.822 2.610 4.477 1009 HB THR 649 HB THR 649 -21.035 3.710 3.423 1010 HG1 THR 649 1HG THR 649 -21.011 3.255 1.315 1011 HG21 THR 649 3HG2 THR 649 -19.775 5.735 3.134 1012 HG22 THR 649 1HG2 THR 649 -19.132 4.820 4.499 1013 HG23 THR 649 2HG2 THR 649 -18.258 4.805 2.944 1014 H SER 650 H SER 650 -20.506 0.878 1.973 1015 HA SER 650 HA SER 650 -22.258 -0.266 1.819 1016 HG SER 650 HG SER 650 -21.431 -2.400 1.639 1017 HB2 SER 650 1HB SER 650 -20.549 -1.618 3.562 1018 HB3 SER 650 2HB SER 650 -22.136 -1.780 4.334 1019 H SER 651 H SER 651 -22.652 2.198 3.630 1020 HA SER 651 HA SER 651 -25.427 1.625 4.533 1021 HG SER 651 HG SER 651 -23.700 4.458 3.472 1022 HB2 SER 651 1HB SER 651 -25.404 4.111 4.957 1023 HB3 SER 651 2HB SER 651 -24.247 3.208 5.944
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