NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
580088 | 2mpf | 19977 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ASN 534 H ASN 534 7.434 16.435 1.176 2 HA ASN 534 HA ASN 534 5.053 14.930 0.472 3 HB2 ASN 534 2HB ASN 534 7.212 15.488 -0.930 4 HB3 ASN 534 3HB ASN 534 7.896 14.076 -0.141 5 HD21 ASN 534 HD21 ASN 534 7.849 13.837 -2.768 6 HD22 ASN 534 HD22 ASN 534 6.459 12.893 -3.319 7 H CYS 535 H CYS 535 5.187 12.515 0.501 8 HA CYS 535 HA CYS 535 4.803 11.683 3.171 9 HB2 CYS 535 2HB CYS 535 4.627 10.270 0.489 10 HB3 CYS 535 3HB CYS 535 4.062 9.565 2.011 11 HG CYS 535 HG CYS 535 1.977 10.560 0.663 12 H ARG 536 H ARG 536 7.548 12.191 3.078 13 HA ARG 536 HA ARG 536 9.382 10.051 2.715 14 HB2 ARG 536 2HB ARG 536 9.372 12.214 4.873 15 HB3 ARG 536 3HB ARG 536 10.754 11.221 4.431 16 HG2 ARG 536 2HG ARG 536 10.791 12.256 2.173 17 HG3 ARG 536 3HG ARG 536 9.412 13.284 2.637 18 HD2 ARG 536 2HD ARG 536 10.755 14.136 4.581 19 HD3 ARG 536 3HD ARG 536 12.142 13.194 4.005 20 HE ARG 536 HE ARG 536 11.393 14.768 1.826 21 HH11 ARG 536 1HH1 ARG 536 12.702 15.330 5.076 22 HH12 ARG 536 2HH1 ARG 536 13.383 16.869 4.558 23 HH21 ARG 536 1HH2 ARG 536 12.323 16.822 1.366 24 HH22 ARG 536 2HH2 ARG 536 13.110 17.668 2.682 25 H LYS 537 H LYS 537 7.711 10.871 5.792 26 HA LYS 537 HA LYS 537 8.648 8.465 7.107 27 HB2 LYS 537 2HB LYS 537 8.373 10.570 8.231 28 HB3 LYS 537 3HB LYS 537 6.653 10.627 7.838 29 HG2 LYS 537 2HG LYS 537 6.205 8.684 9.242 30 HG3 LYS 537 3HG LYS 537 7.944 8.435 9.522 31 HD2 LYS 537 2HD LYS 537 8.119 10.601 10.598 32 HD3 LYS 537 3HD LYS 537 6.414 10.963 10.276 33 HE2 LYS 537 2HE LYS 537 7.222 8.460 11.800 34 HE3 LYS 537 3HE LYS 537 7.164 10.015 12.641 35 HZ1 LYS 537 3HZ LYS 537 4.884 10.237 12.162 36 HZ2 LYS 537 1HZ LYS 537 5.102 8.757 12.811 37 HZ3 LYS 537 2HZ LYS 537 4.826 8.902 11.183 38 H LEU 538 H LEU 538 5.795 9.218 5.167 39 HA LEU 538 HA LEU 538 4.170 7.223 6.474 40 HB2 LEU 538 2HB LEU 538 3.399 9.412 5.294 41 HB3 LEU 538 3HB LEU 538 3.561 8.496 3.801 42 HG LEU 538 HG LEU 538 1.993 6.754 4.892 43 HD11 LEU 538 1HD1 LEU 538 0.556 7.531 6.690 44 HD12 LEU 538 2HD1 LEU 538 1.410 9.087 6.764 45 HD13 LEU 538 3HD1 LEU 538 2.220 7.584 7.245 46 HD21 LEU 538 3HD2 LEU 538 1.277 8.353 3.130 47 HD22 LEU 538 1HD2 LEU 538 0.880 9.539 4.390 48 HD23 LEU 538 2HD2 LEU 538 -0.005 7.989 4.287 49 H VAL 539 H VAL 539 5.918 7.258 3.346 50 HA VAL 539 HA VAL 539 5.240 4.447 2.753 51 HB VAL 539 HB VAL 539 6.079 6.402 1.170 52 HG11 VAL 539 1HG1 VAL 539 8.292 6.642 2.159 53 HG12 VAL 539 2HG1 VAL 539 8.644 4.918 1.839 54 HG13 VAL 539 3HG1 VAL 539 8.408 6.018 0.483 55 HG21 VAL 539 3HG2 VAL 539 5.162 4.356 0.386 56 HG22 VAL 539 1HG2 VAL 539 6.717 4.577 -0.434 57 HG23 VAL 539 2HG2 VAL 539 6.570 3.433 0.925 58 H ALA 540 H ALA 540 7.874 6.130 4.492 59 HA ALA 540 HA ALA 540 9.338 3.752 5.131 60 HB1 ALA 540 1HB ALA 540 10.512 5.197 6.689 61 HB2 ALA 540 2HB ALA 540 10.221 6.106 5.185 62 HB3 ALA 540 3HB ALA 540 9.211 6.388 6.629 63 H SER 541 H SER 541 6.223 4.699 6.315 64 HA SER 541 HA SER 541 6.523 3.650 8.990 65 HB2 SER 541 2HB SER 541 4.192 4.496 7.353 66 HB3 SER 541 3HB SER 541 4.054 3.894 8.982 67 HG SER 541 HG SER 541 5.678 6.112 8.270 68 H MET 542 H MET 542 6.025 2.341 5.859 69 HA MET 542 HA MET 542 4.395 0.110 6.348 70 HB2 MET 542 2HB MET 542 5.205 1.378 4.198 71 HB3 MET 542 3HB MET 542 6.571 0.252 4.233 72 HG2 MET 542 2HG MET 542 3.676 -0.634 4.200 73 HG3 MET 542 3HG MET 542 4.574 -0.214 2.746 74 HE1 MET 542 3HE MET 542 5.318 -2.212 1.251 75 HE2 MET 542 1HE MET 542 4.780 -3.788 1.878 76 HE3 MET 542 2HE MET 542 3.679 -2.381 1.922 77 HA PRO 543 HA PRO 543 7.299 -2.244 8.724 78 HB2 PRO 543 2HB PRO 543 6.365 -4.828 8.547 79 HB3 PRO 543 3HB PRO 543 5.552 -3.524 9.462 80 HG2 PRO 543 2HG PRO 543 4.928 -4.506 6.664 81 HG3 PRO 543 3HG PRO 543 3.785 -4.185 8.008 82 HD2 PRO 543 2HD PRO 543 4.222 -2.378 6.030 83 HD3 PRO 543 3HD PRO 543 3.935 -1.843 7.680 84 H LEU 544 H LEU 544 6.954 -3.195 5.342 85 HA LEU 544 HA LEU 544 9.394 -4.770 5.220 86 HB2 LEU 544 2HB LEU 544 7.439 -4.939 3.717 87 HB3 LEU 544 3HB LEU 544 7.758 -3.362 3.057 88 HG LEU 544 HG LEU 544 9.969 -5.395 2.850 89 HD11 LEU 544 1HD1 LEU 544 8.925 -6.162 0.714 90 HD12 LEU 544 2HD1 LEU 544 7.465 -5.212 1.122 91 HD13 LEU 544 3HD1 LEU 544 7.953 -6.597 2.126 92 HD21 LEU 544 3HD2 LEU 544 8.873 -3.196 1.008 93 HD22 LEU 544 1HD2 LEU 544 10.312 -4.204 0.698 94 HD23 LEU 544 2HD2 LEU 544 10.324 -3.042 2.018 95 H PHE 545 H PHE 545 8.717 -1.317 5.139 96 HA PHE 545 HA PHE 545 11.199 -0.630 3.722 97 HB2 PHE 545 2HB PHE 545 8.872 0.958 4.817 98 HB3 PHE 545 3HB PHE 545 10.355 1.734 4.335 99 HD1 PHE 545 1HD PHE 545 8.165 -0.949 2.682 100 HD2 PHE 545 2HD PHE 545 10.211 2.837 2.361 101 HE1 PHE 545 1HE PHE 545 7.096 -0.547 0.506 102 HE2 PHE 545 2HE PHE 545 9.199 3.185 0.130 103 HZ PHE 545 HZ PHE 545 7.529 1.581 -0.721 104 H ALA 546 H ALA 546 10.607 -1.562 6.807 105 HA ALA 546 HA ALA 546 11.816 0.154 8.663 106 HB1 ALA 546 1HB ALA 546 10.539 -1.996 8.992 107 HB2 ALA 546 2HB ALA 546 11.925 -2.867 8.262 108 HB3 ALA 546 3HB ALA 546 12.124 -2.039 9.825 109 H ASN 547 H ASN 547 13.181 -1.922 6.280 110 HA ASN 547 HA ASN 547 15.995 -1.718 7.220 111 HB2 ASN 547 2HB ASN 547 14.115 -3.918 6.424 112 HB3 ASN 547 3HB ASN 547 15.659 -4.013 5.676 113 HD21 ASN 547 HD21 ASN 547 14.002 -4.220 8.746 114 HD22 ASN 547 HD22 ASN 547 15.431 -4.783 9.596 115 H ALA 548 H ALA 548 14.095 -0.274 5.062 116 HA ALA 548 HA ALA 548 15.331 -0.811 2.517 117 HB1 ALA 548 1HB ALA 548 13.976 1.117 1.731 118 HB2 ALA 548 2HB ALA 548 13.013 0.019 2.725 119 HB3 ALA 548 3HB ALA 548 13.619 1.559 3.398 120 H ASP 549 H ASP 549 16.502 0.533 1.146 121 HA ASP 549 HA ASP 549 18.579 2.222 2.246 122 HB2 ASP 549 2HB ASP 549 18.778 0.736 0.231 123 HB3 ASP 549 3HB ASP 549 17.708 1.813 -0.648 124 HA PRO 550 HA PRO 550 15.812 5.770 2.614 125 HB2 PRO 550 2HB PRO 550 17.645 7.810 2.919 126 HB3 PRO 550 3HB PRO 550 17.263 6.607 4.187 127 HG2 PRO 550 2HG PRO 550 19.493 6.444 2.116 128 HG3 PRO 550 3HG PRO 550 19.655 6.347 3.913 129 HD2 PRO 550 2HD PRO 550 19.502 4.097 2.530 130 HD3 PRO 550 3HD PRO 550 18.422 4.262 3.946 131 H ASN 551 H ASN 551 17.937 5.388 -0.033 132 HA ASN 551 HA ASN 551 17.036 7.867 -1.454 133 HB2 ASN 551 2HB ASN 551 18.934 5.649 -2.351 134 HB3 ASN 551 3HB ASN 551 18.598 7.158 -3.208 135 HD21 ASN 551 HD21 ASN 551 18.929 9.207 -1.535 136 HD22 ASN 551 HD22 ASN 551 20.527 9.112 -0.809 137 H PHE 552 H PHE 552 16.679 4.342 -1.524 138 HA PHE 552 HA PHE 552 15.046 4.129 -3.904 139 HB2 PHE 552 2HB PHE 552 16.074 2.129 -3.108 140 HB3 PHE 552 3HB PHE 552 15.558 2.408 -1.467 141 HD1 PHE 552 1HD PHE 552 13.920 1.932 -4.836 142 HD2 PHE 552 2HD PHE 552 13.863 1.110 -0.608 143 HE1 PHE 552 1HE PHE 552 11.902 0.518 -5.137 144 HE2 PHE 552 2HE PHE 552 11.848 -0.308 -0.910 145 HZ PHE 552 HZ PHE 552 10.880 -0.611 -3.176 146 H VAL 553 H VAL 553 14.225 4.292 -0.428 147 HA VAL 553 HA VAL 553 11.429 4.215 -0.758 148 HB VAL 553 HB VAL 553 11.182 4.928 1.469 149 HG11 VAL 553 1HG1 VAL 553 13.879 3.532 1.344 150 HG12 VAL 553 2HG1 VAL 553 12.630 3.380 2.592 151 HG13 VAL 553 3HG1 VAL 553 12.336 2.708 0.968 152 HG21 VAL 553 3HG2 VAL 553 13.139 5.629 2.875 153 HG22 VAL 553 1HG2 VAL 553 14.033 5.922 1.380 154 HG23 VAL 553 2HG2 VAL 553 12.581 6.890 1.747 155 H THR 554 H THR 554 13.629 6.882 -0.955 156 HA THR 554 HA THR 554 11.669 9.037 -0.984 157 HB THR 554 HB THR 554 14.649 9.026 -1.602 158 HG1 THR 554 1HG THR 554 14.603 8.702 0.471 159 HG21 THR 554 1HG2 THR 554 14.468 11.462 -1.145 160 HG22 THR 554 2HG2 THR 554 12.685 11.301 -1.106 161 HG23 THR 554 3HG2 THR 554 13.583 10.980 -2.601 162 H ALA 555 H ALA 555 13.600 7.304 -3.508 163 HA ALA 555 HA ALA 555 12.931 9.129 -5.621 164 HB1 ALA 555 1HB ALA 555 13.807 6.201 -5.625 165 HB2 ALA 555 2HB ALA 555 13.789 7.268 -7.047 166 HB3 ALA 555 3HB ALA 555 14.872 7.623 -5.686 167 H MET 556 H MET 556 11.174 6.629 -4.041 168 HA MET 556 HA MET 556 9.221 6.039 -6.093 169 HB2 MET 556 2HB MET 556 9.976 4.680 -4.113 170 HB3 MET 556 3HB MET 556 9.049 5.759 -3.062 171 HG2 MET 556 2HG MET 556 6.986 5.164 -4.218 172 HG3 MET 556 3HG MET 556 7.874 4.156 -5.365 173 HE1 MET 556 3HE MET 556 9.218 1.309 -2.950 174 HE2 MET 556 1HE MET 556 9.629 2.312 -4.373 175 HE3 MET 556 2HE MET 556 9.966 2.901 -2.719 176 H LEU 557 H LEU 557 9.514 8.659 -3.746 177 HA LEU 557 HA LEU 557 6.703 9.102 -3.433 178 HB2 LEU 557 2HB LEU 557 8.960 11.043 -2.840 179 HB3 LEU 557 3HB LEU 557 7.349 11.011 -2.125 180 HG LEU 557 HG LEU 557 9.454 8.878 -1.684 181 HD11 LEU 557 1HD1 LEU 557 10.039 11.059 -0.672 182 HD12 LEU 557 2HD1 LEU 557 9.684 9.804 0.525 183 HD13 LEU 557 3HD1 LEU 557 8.475 11.070 0.178 184 HD21 LEU 557 3HD2 LEU 557 7.907 8.234 0.189 185 HD22 LEU 557 1HD2 LEU 557 7.235 7.931 -1.419 186 HD23 LEU 557 2HD2 LEU 557 6.696 9.344 -0.466 187 H THR 558 H THR 558 8.834 10.179 -5.917 188 HA THR 558 HA THR 558 7.935 12.736 -6.464 189 HB THR 558 HB THR 558 8.841 12.516 -8.687 190 HG1 THR 558 1HG THR 558 9.238 10.703 -9.636 191 HG21 THR 558 1HG2 THR 558 11.102 11.810 -8.200 192 HG22 THR 558 2HG2 THR 558 10.569 10.869 -6.793 193 HG23 THR 558 3HG2 THR 558 10.450 12.643 -6.778 194 H LYS 559 H LYS 559 6.165 9.830 -7.449 195 HA LYS 559 HA LYS 559 4.188 11.579 -8.857 196 HB2 LYS 559 2HB LYS 559 3.757 9.857 -10.473 197 HB3 LYS 559 3HB LYS 559 5.419 10.398 -10.538 198 HG2 LYS 559 2HG LYS 559 6.277 8.377 -10.038 199 HG3 LYS 559 3HG LYS 559 5.095 8.025 -8.782 200 HD2 LYS 559 2HD LYS 559 4.315 7.926 -11.723 201 HD3 LYS 559 3HD LYS 559 5.111 6.559 -10.935 202 HE2 LYS 559 2HE LYS 559 3.377 6.381 -9.261 203 HE3 LYS 559 3HE LYS 559 2.606 7.861 -9.779 204 HZ1 LYS 559 3HZ LYS 559 2.093 6.774 -11.922 205 HZ2 LYS 559 1HZ LYS 559 1.431 5.954 -10.639 206 HZ3 LYS 559 2HZ LYS 559 2.735 5.363 -11.416 207 H LEU 560 H LEU 560 4.187 10.557 -6.013 208 HA LEU 560 HA LEU 560 2.122 8.590 -5.823 209 HB2 LEU 560 2HB LEU 560 3.338 10.719 -3.998 210 HB3 LEU 560 3HB LEU 560 1.881 9.915 -3.462 211 HG LEU 560 HG LEU 560 4.387 8.367 -4.184 212 HD11 LEU 560 1HD1 LEU 560 4.740 8.221 -1.740 213 HD12 LEU 560 2HD1 LEU 560 3.351 9.299 -1.461 214 HD13 LEU 560 3HD1 LEU 560 4.801 9.913 -2.277 215 HD21 LEU 560 3HD2 LEU 560 1.882 7.671 -2.560 216 HD22 LEU 560 1HD2 LEU 560 3.266 6.602 -2.853 217 HD23 LEU 560 2HD2 LEU 560 2.223 7.100 -4.198 218 H LYS 561 H LYS 561 -0.041 8.854 -5.028 219 HA LYS 561 HA LYS 561 -1.367 11.474 -5.582 220 HB2 LYS 561 2HB LYS 561 -1.655 9.268 -7.212 221 HB3 LYS 561 3HB LYS 561 -2.943 8.987 -6.068 222 HG2 LYS 561 2HG LYS 561 -4.124 10.257 -7.487 223 HG3 LYS 561 3HG LYS 561 -3.422 11.615 -6.619 224 HD2 LYS 561 2HD LYS 561 -2.609 10.447 -9.309 225 HD3 LYS 561 3HD LYS 561 -3.230 12.065 -8.968 226 HE2 LYS 561 2HE LYS 561 -1.098 12.514 -7.659 227 HE3 LYS 561 3HE LYS 561 -0.503 10.942 -8.198 228 HZ1 LYS 561 3HZ LYS 561 -0.840 11.751 -10.516 229 HZ2 LYS 561 1HZ LYS 561 0.318 12.575 -9.710 230 HZ3 LYS 561 2HZ LYS 561 -1.150 13.263 -9.928 231 H PHE 562 H PHE 562 -3.024 12.060 -4.321 232 HA PHE 562 HA PHE 562 -3.430 10.651 -1.704 233 HB2 PHE 562 2HB PHE 562 -2.564 12.826 -1.389 234 HB3 PHE 562 3HB PHE 562 -3.522 13.507 -2.677 235 HD1 PHE 562 2HD PHE 562 -5.846 14.123 -2.416 236 HD2 PHE 562 1HD PHE 562 -3.574 12.535 0.883 237 HE1 PHE 562 2HE PHE 562 -7.476 15.111 -0.820 238 HE2 PHE 562 1HE PHE 562 -5.205 13.520 2.474 239 HZ PHE 562 HZ PHE 562 -7.130 14.857 1.619 240 H GLU 563 H GLU 563 -5.547 10.034 -1.011 241 HA GLU 563 HA GLU 563 -7.824 11.267 -2.338 242 HB2 GLU 563 2HB GLU 563 -7.224 9.359 -3.850 243 HB3 GLU 563 3HB GLU 563 -7.383 8.248 -2.493 244 HG2 GLU 563 2HG GLU 563 -9.341 8.160 -3.909 245 HG3 GLU 563 3HG GLU 563 -9.753 8.783 -2.311 246 H VAL 564 H VAL 564 -9.718 11.195 -1.241 247 HA VAL 564 HA VAL 564 -9.624 10.177 1.553 248 HB VAL 564 HB VAL 564 -11.327 12.432 0.446 249 HG11 VAL 564 1HG1 VAL 564 -12.384 11.357 2.388 250 HG12 VAL 564 2HG1 VAL 564 -10.897 11.654 3.332 251 HG13 VAL 564 3HG1 VAL 564 -11.855 12.992 2.640 252 HG21 VAL 564 3HG2 VAL 564 -9.028 13.169 0.463 253 HG22 VAL 564 1HG2 VAL 564 -9.819 13.857 1.900 254 HG23 VAL 564 2HG2 VAL 564 -8.754 12.431 2.051 255 H PHE 565 H PHE 565 -11.290 9.097 2.422 256 HA PHE 565 HA PHE 565 -13.669 8.434 0.752 257 HB2 PHE 565 2HB PHE 565 -12.169 6.434 2.429 258 HB3 PHE 565 3HB PHE 565 -13.747 6.182 1.719 259 HD1 PHE 565 2HD PHE 565 -10.152 6.847 0.865 260 HD2 PHE 565 1HD PHE 565 -13.977 5.422 -0.526 261 HE1 PHE 565 2HE PHE 565 -9.073 5.930 -1.173 262 HE2 PHE 565 1HE PHE 565 -12.889 4.477 -2.545 263 HZ PHE 565 HZ PHE 565 -10.427 4.701 -2.855 264 H GLN 566 H GLN 566 -15.584 7.960 2.005 265 HA GLN 566 HA GLN 566 -15.696 9.442 4.631 266 HB2 GLN 566 2HB GLN 566 -17.978 8.691 2.777 267 HB3 GLN 566 3HB GLN 566 -18.028 9.844 4.098 268 HG2 GLN 566 2HG GLN 566 -16.584 10.225 1.441 269 HG3 GLN 566 3HG GLN 566 -18.160 10.864 1.874 270 HE21 GLN 566 HE21 GLN 566 -14.771 10.896 3.186 271 HE22 GLN 566 HE22 GLN 566 -14.940 12.543 3.758 272 HA PRO 567 HA PRO 567 -16.430 5.890 6.904 273 HB2 PRO 567 2HB PRO 567 -19.080 6.669 8.022 274 HB3 PRO 567 3HB PRO 567 -17.530 6.334 8.856 275 HG2 PRO 567 2HG PRO 567 -18.550 8.884 8.509 276 HG3 PRO 567 3HG PRO 567 -16.807 8.535 8.584 277 HD2 PRO 567 2HD PRO 567 -18.506 9.100 6.199 278 HD3 PRO 567 3HD PRO 567 -16.800 9.523 6.506 279 H GLY 568 H GLY 568 -16.950 3.837 6.425 280 HA2 GLY 568 2HA GLY 568 -18.396 1.996 6.277 281 HA3 GLY 568 3HA GLY 568 -19.687 3.024 5.641 282 H ASP 569 H ASP 569 -17.134 4.142 3.914 283 HA ASP 569 HA ASP 569 -18.085 2.655 1.678 284 HB2 ASP 569 2HB ASP 569 -17.798 5.131 1.747 285 HB3 ASP 569 3HB ASP 569 -16.048 4.901 1.769 286 H TYR 570 H TYR 570 -17.190 0.949 0.713 287 HA TYR 570 HA TYR 570 -14.767 -0.292 1.613 288 HB2 TYR 570 2HB TYR 570 -16.502 -0.824 -0.796 289 HB3 TYR 570 3HB TYR 570 -15.033 -1.725 -0.464 290 HD1 TYR 570 HD2 TYR 570 -14.827 -3.234 1.491 291 HD2 TYR 570 HD1 TYR 570 -18.505 -1.164 0.586 292 HE1 TYR 570 HE2 TYR 570 -16.069 -4.780 3.007 293 HE2 TYR 570 HE1 TYR 570 -19.725 -2.702 2.107 294 HH TYR 570 HH TYR 570 -18.177 -5.284 3.993 295 H ILE 571 H ILE 571 -12.758 0.264 1.281 296 HA ILE 571 HA ILE 571 -12.073 2.202 -0.825 297 HB ILE 571 HB ILE 571 -9.915 2.304 0.302 298 HG12 ILE 571 2HG1 ILE 571 -10.911 0.600 2.612 299 HG13 ILE 571 3HG1 ILE 571 -10.189 -0.183 1.216 300 HG21 ILE 571 1HG2 ILE 571 -10.644 3.297 2.434 301 HG22 ILE 571 2HG2 ILE 571 -11.710 3.765 1.097 302 HG23 ILE 571 3HG2 ILE 571 -12.237 2.547 2.266 303 HD11 ILE 571 3HD1 ILE 571 -8.496 0.151 2.800 304 HD12 ILE 571 1HD1 ILE 571 -8.204 1.115 1.335 305 HD13 ILE 571 2HD1 ILE 571 -8.812 1.908 2.822 306 H ILE 572 H ILE 572 -11.603 -1.227 -0.224 307 HA ILE 572 HA ILE 572 -10.079 -1.542 -2.747 308 HB ILE 572 HB ILE 572 -9.320 -2.709 -0.054 309 HG12 ILE 572 2HG1 ILE 572 -7.858 -0.803 -1.933 310 HG13 ILE 572 3HG1 ILE 572 -8.628 -0.351 -0.435 311 HG21 ILE 572 1HG2 ILE 572 -8.985 -4.390 -1.869 312 HG22 ILE 572 2HG2 ILE 572 -8.057 -3.180 -2.796 313 HG23 ILE 572 3HG2 ILE 572 -7.460 -3.810 -1.247 314 HD11 ILE 572 3HD1 ILE 572 -6.167 -2.059 -0.683 315 HD12 ILE 572 1HD1 ILE 572 -6.382 -0.473 0.076 316 HD13 ILE 572 2HD1 ILE 572 -7.124 -1.898 0.822 317 H ARG 573 H ARG 573 -11.381 -2.901 -3.959 318 HA ARG 573 HA ARG 573 -11.658 -5.638 -2.963 319 HB2 ARG 573 2HB ARG 573 -13.945 -3.870 -3.803 320 HB3 ARG 573 3HB ARG 573 -13.953 -5.485 -4.480 321 HG2 ARG 573 2HG ARG 573 -13.575 -5.180 -1.478 322 HG3 ARG 573 3HG ARG 573 -15.163 -4.973 -2.200 323 HD2 ARG 573 2HD ARG 573 -14.902 -7.255 -1.470 324 HD3 ARG 573 3HD ARG 573 -15.051 -7.142 -3.236 325 HE ARG 573 HE ARG 573 -12.329 -7.423 -2.022 326 HH11 ARG 573 1HH1 ARG 573 -14.995 -9.196 -3.435 327 HH12 ARG 573 2HH1 ARG 573 -13.922 -10.511 -3.903 328 HH21 ARG 573 1HH2 ARG 573 -11.029 -8.865 -3.155 329 HH22 ARG 573 2HH2 ARG 573 -11.775 -10.260 -3.904 330 H GLU 574 H GLU 574 -11.317 -7.160 -4.545 331 HA GLU 574 HA GLU 574 -10.123 -6.149 -7.001 332 HB2 GLU 574 2HB GLU 574 -10.124 -8.926 -5.796 333 HB3 GLU 574 3HB GLU 574 -9.300 -8.462 -7.276 334 HG2 GLU 574 2HG GLU 574 -7.549 -8.135 -5.944 335 HG3 GLU 574 3HG GLU 574 -8.247 -6.539 -5.763 336 H GLY 575 H GLY 575 -10.226 -7.112 -8.978 337 HA2 GLY 575 2HA GLY 575 -12.288 -8.834 -9.954 338 HA3 GLY 575 3HA GLY 575 -12.752 -7.156 -10.259 339 H THR 576 H THR 576 -9.482 -6.952 -10.443 340 HA THR 576 HA THR 576 -9.066 -8.085 -13.117 341 HB THR 576 HB THR 576 -10.214 -5.885 -13.505 342 HG1 THR 576 1HG THR 576 -8.754 -5.316 -15.099 343 HG21 THR 576 1HG2 THR 576 -9.025 -3.823 -13.262 344 HG22 THR 576 2HG2 THR 576 -7.540 -4.641 -12.736 345 HG23 THR 576 3HG2 THR 576 -8.970 -4.611 -11.685 346 H ILE 577 H ILE 577 -6.835 -7.335 -13.942 347 HA ILE 577 HA ILE 577 -5.088 -8.375 -11.802 348 HB ILE 577 HB ILE 577 -4.648 -8.261 -14.814 349 HG12 ILE 577 2HG1 ILE 577 -4.813 -10.793 -14.582 350 HG13 ILE 577 3HG1 ILE 577 -5.470 -10.541 -12.966 351 HG21 ILE 577 1HG2 ILE 577 -2.500 -8.256 -13.625 352 HG22 ILE 577 2HG2 ILE 577 -3.034 -9.592 -12.582 353 HG23 ILE 577 3HG2 ILE 577 -2.781 -9.837 -14.323 354 HD11 ILE 577 3HD1 ILE 577 -6.806 -9.407 -15.442 355 HD12 ILE 577 1HD1 ILE 577 -7.091 -11.058 -14.852 356 HD13 ILE 577 2HD1 ILE 577 -7.509 -9.699 -13.822 357 H GLY 578 H GLY 578 -3.510 -7.192 -10.822 358 HA2 GLY 578 2HA GLY 578 -1.519 -5.939 -10.909 359 HA3 GLY 578 3HA GLY 578 -2.071 -5.092 -12.346 360 H LYS 579 H LYS 579 -4.103 -5.352 -9.475 361 HA LYS 579 HA LYS 579 -4.595 -2.573 -9.293 362 HB2 LYS 579 2HB LYS 579 -5.920 -4.616 -8.397 363 HB3 LYS 579 3HB LYS 579 -4.952 -4.407 -6.936 364 HG2 LYS 579 2HG LYS 579 -5.825 -2.053 -6.745 365 HG3 LYS 579 3HG LYS 579 -6.779 -2.309 -8.221 366 HD2 LYS 579 2HD LYS 579 -7.948 -4.203 -7.095 367 HD3 LYS 579 3HD LYS 579 -6.981 -3.919 -5.653 368 HE2 LYS 579 2HE LYS 579 -9.035 -2.964 -5.152 369 HE3 LYS 579 3HE LYS 579 -8.018 -1.571 -5.539 370 HZ1 LYS 579 3HZ LYS 579 -9.239 -1.256 -7.537 371 HZ2 LYS 579 1HZ LYS 579 -10.384 -1.783 -6.497 372 HZ3 LYS 579 2HZ LYS 579 -9.744 -2.816 -7.600 373 H LYS 580 H LYS 580 -4.158 -1.150 -7.534 374 HA LYS 580 HA LYS 580 -1.341 -0.700 -7.212 375 HB2 LYS 580 2HB LYS 580 -3.715 0.820 -6.027 376 HB3 LYS 580 3HB LYS 580 -2.096 1.440 -6.268 377 HG2 LYS 580 2HG LYS 580 -2.506 1.014 -8.801 378 HG3 LYS 580 3HG LYS 580 -4.209 0.852 -8.365 379 HD2 LYS 580 2HD LYS 580 -2.480 3.211 -7.546 380 HD3 LYS 580 3HD LYS 580 -3.431 3.193 -9.056 381 HE2 LYS 580 2HE LYS 580 -5.515 2.799 -7.711 382 HE3 LYS 580 3HE LYS 580 -4.548 2.924 -6.234 383 HZ1 LYS 580 3HZ LYS 580 -5.376 5.070 -6.552 384 HZ2 LYS 580 1HZ LYS 580 -5.148 5.048 -8.185 385 HZ3 LYS 580 2HZ LYS 580 -3.869 5.189 -7.146 386 H MET 581 H MET 581 -0.443 0.305 -5.194 387 HA MET 581 HA MET 581 -1.363 -1.108 -2.708 388 HB2 MET 581 2HB MET 581 0.519 -0.533 -1.574 389 HB3 MET 581 3HB MET 581 1.141 -0.970 -3.158 390 HG2 MET 581 2HG MET 581 1.508 1.358 -3.721 391 HG3 MET 581 3HG MET 581 0.637 1.920 -2.299 392 HE1 MET 581 3HE MET 581 1.936 0.048 0.174 393 HE2 MET 581 1HE MET 581 3.062 1.305 0.685 394 HE3 MET 581 2HE MET 581 1.418 1.757 0.202 395 H TYR 582 H TYR 582 -2.065 0.066 -0.849 396 HA TYR 582 HA TYR 582 -2.693 2.947 -1.221 397 HB2 TYR 582 2HB TYR 582 -4.698 0.931 -0.212 398 HB3 TYR 582 3HB TYR 582 -4.953 2.649 -0.430 399 HD1 TYR 582 HD1 TYR 582 -4.360 -0.574 -2.252 400 HD2 TYR 582 HD2 TYR 582 -5.893 3.456 -2.481 401 HE1 TYR 582 HE1 TYR 582 -5.404 -1.093 -4.440 402 HE2 TYR 582 HE2 TYR 582 -6.997 2.909 -4.638 403 HH TYR 582 HH TYR 582 -7.511 1.244 -6.137 404 H PHE 583 H PHE 583 -2.615 4.136 0.779 405 HA PHE 583 HA PHE 583 -2.074 2.608 3.232 406 HB2 PHE 583 2HB PHE 583 0.214 3.266 3.490 407 HB3 PHE 583 3HB PHE 583 -0.005 2.403 2.023 408 HD1 PHE 583 2HD PHE 583 -0.251 3.862 -0.218 409 HD2 PHE 583 1HD PHE 583 1.626 5.100 3.453 410 HE1 PHE 583 2HE PHE 583 1.214 5.397 -1.489 411 HE2 PHE 583 1HE PHE 583 3.084 6.654 2.177 412 HZ PHE 583 HZ PHE 583 2.901 6.792 -0.290 413 H ILE 584 H ILE 584 -1.963 3.743 5.131 414 HA ILE 584 HA ILE 584 -4.102 5.756 4.949 415 HB ILE 584 HB ILE 584 -3.114 4.418 7.501 416 HG12 ILE 584 2HG1 ILE 584 -5.110 3.337 5.503 417 HG13 ILE 584 3HG1 ILE 584 -3.557 2.628 5.940 418 HG21 ILE 584 1HG2 ILE 584 -5.373 4.952 8.320 419 HG22 ILE 584 2HG2 ILE 584 -4.734 6.436 7.629 420 HG23 ILE 584 3HG2 ILE 584 -5.919 5.472 6.732 421 HD11 ILE 584 3HD1 ILE 584 -4.987 1.372 7.215 422 HD12 ILE 584 1HD1 ILE 584 -4.496 2.607 8.375 423 HD13 ILE 584 2HD1 ILE 584 -6.074 2.757 7.548 424 H GLN 585 H GLN 585 -3.665 7.918 4.931 425 HA GLN 585 HA GLN 585 -1.162 8.904 6.141 426 HB2 GLN 585 2HB GLN 585 -1.838 9.589 3.907 427 HB3 GLN 585 3HB GLN 585 -3.318 10.312 4.516 428 HG2 GLN 585 2HG GLN 585 -0.750 11.295 5.741 429 HG3 GLN 585 3HG GLN 585 -1.019 11.680 4.047 430 HE21 GLN 585 HE21 GLN 585 -2.229 12.291 7.335 431 HE22 GLN 585 HE22 GLN 585 -3.291 13.611 6.851 432 H HIS 586 H HIS 586 -4.664 9.308 6.650 433 HA HIS 586 HA HIS 586 -4.251 9.569 9.518 434 HB2 HIS 586 2HB HIS 586 -3.873 11.907 8.860 435 HB3 HIS 586 3HB HIS 586 -5.385 11.930 7.966 436 HD1 HIS 586 1HD HIS 586 -4.182 11.540 11.633 437 HD2 HIS 586 2HD HIS 586 -7.506 12.650 9.295 438 HE1 HIS 586 1HE HIS 586 -5.927 12.484 13.253 439 H GLY 587 H GLY 587 -5.822 8.135 10.231 440 HA2 GLY 587 2HA GLY 587 -8.428 8.447 10.485 441 HA3 GLY 587 3HA GLY 587 -8.383 7.903 8.803 442 H VAL 588 H VAL 588 -9.695 6.178 9.803 443 HA VAL 588 HA VAL 588 -8.016 3.929 10.672 444 HB VAL 588 HB VAL 588 -10.660 4.754 11.959 445 HG11 VAL 588 1HG1 VAL 588 -10.336 2.899 13.533 446 HG12 VAL 588 2HG1 VAL 588 -10.500 2.280 11.899 447 HG13 VAL 588 3HG1 VAL 588 -8.891 2.370 12.652 448 HG21 VAL 588 3HG2 VAL 588 -7.846 4.650 13.121 449 HG22 VAL 588 1HG2 VAL 588 -8.816 6.110 12.828 450 HG23 VAL 588 2HG2 VAL 588 -9.335 4.951 14.046 451 H VAL 589 H VAL 589 -8.867 1.911 9.979 452 HA VAL 589 HA VAL 589 -11.263 1.922 8.185 453 HB VAL 589 HB VAL 589 -10.240 0.033 6.955 454 HG11 VAL 589 1HG1 VAL 589 -8.957 1.388 5.429 455 HG12 VAL 589 2HG1 VAL 589 -10.311 2.331 6.019 456 HG13 VAL 589 3HG1 VAL 589 -8.692 2.636 6.678 457 HG21 VAL 589 3HG2 VAL 589 -7.616 0.951 8.177 458 HG22 VAL 589 1HG2 VAL 589 -8.489 -0.522 8.651 459 HG23 VAL 589 2HG2 VAL 589 -7.872 -0.387 7.017 460 H SER 590 H SER 590 -12.457 0.052 8.171 461 HA SER 590 HA SER 590 -12.026 -1.942 10.393 462 HB2 SER 590 2HB SER 590 -14.641 -0.658 9.433 463 HB3 SER 590 3HB SER 590 -14.588 -2.270 10.173 464 HG SER 590 HG SER 590 -14.212 0.205 11.391 465 H VAL 591 H VAL 591 -11.800 -3.885 9.643 466 HA VAL 591 HA VAL 591 -11.416 -4.150 6.701 467 HB VAL 591 HB VAL 591 -9.573 -2.935 7.723 468 HG11 VAL 591 1HG1 VAL 591 -8.367 -3.933 9.739 469 HG12 VAL 591 2HG1 VAL 591 -9.960 -3.285 10.006 470 HG13 VAL 591 3HG1 VAL 591 -9.737 -5.089 9.816 471 HG21 VAL 591 3HG2 VAL 591 -8.715 -5.780 8.079 472 HG22 VAL 591 1HG2 VAL 591 -8.792 -4.977 6.452 473 HG23 VAL 591 2HG2 VAL 591 -7.728 -4.330 7.757 474 H LEU 592 H LEU 592 -11.015 -6.354 6.016 475 HA LEU 592 HA LEU 592 -11.258 -8.378 8.212 476 HB2 LEU 592 2HB LEU 592 -12.176 -8.701 5.299 477 HB3 LEU 592 3HB LEU 592 -12.226 -9.933 6.534 478 HG LEU 592 HG LEU 592 -14.408 -9.273 6.112 479 HD11 LEU 592 1HD1 LEU 592 -13.713 -7.834 8.674 480 HD12 LEU 592 2HD1 LEU 592 -13.833 -9.609 8.509 481 HD13 LEU 592 3HD1 LEU 592 -15.254 -8.582 8.243 482 HD21 LEU 592 3HD2 LEU 592 -15.365 -7.090 6.244 483 HD22 LEU 592 1HD2 LEU 592 -14.023 -7.046 5.094 484 HD23 LEU 592 2HD2 LEU 592 -13.836 -6.357 6.724 485 H THR 593 H THR 593 -9.382 -9.652 8.419 486 HA THR 593 HA THR 593 -8.012 -10.120 5.761 487 HB THR 593 HB THR 593 -6.355 -11.497 7.231 488 HG1 THR 593 1HG THR 593 -5.874 -10.274 9.068 489 HG21 THR 593 1HG2 THR 593 -5.759 -9.728 5.718 490 HG22 THR 593 2HG2 THR 593 -4.986 -9.383 7.273 491 HG23 THR 593 3HG2 THR 593 -6.461 -8.490 6.791 492 H LYS 594 H LYS 594 -8.417 -11.705 4.555 493 HA LYS 594 HA LYS 594 -10.605 -13.315 4.916 494 HB2 LYS 594 2HB LYS 594 -9.971 -14.514 2.921 495 HB3 LYS 594 3HB LYS 594 -9.817 -12.784 2.728 496 HG2 LYS 594 2HG LYS 594 -7.392 -14.458 3.420 497 HG3 LYS 594 3HG LYS 594 -8.015 -14.441 1.778 498 HD2 LYS 594 2HD LYS 594 -7.737 -12.025 1.612 499 HD3 LYS 594 3HD LYS 594 -7.106 -11.935 3.266 500 HE2 LYS 594 2HE LYS 594 -5.171 -13.242 2.728 501 HE3 LYS 594 3HE LYS 594 -5.844 -13.710 1.154 502 HZ1 LYS 594 3HZ LYS 594 -4.375 -12.038 0.633 503 HZ2 LYS 594 1HZ LYS 594 -4.699 -11.104 1.923 504 HZ3 LYS 594 2HZ LYS 594 -5.788 -11.217 0.665 505 H GLY 595 H GLY 595 -7.313 -14.329 5.711 506 HA2 GLY 595 2HA GLY 595 -7.901 -17.080 6.370 507 HA3 GLY 595 3HA GLY 595 -6.530 -16.080 6.934 508 H ASN 596 H ASN 596 -8.734 -14.176 7.955 509 HA ASN 596 HA ASN 596 -8.355 -15.237 10.717 510 HB2 ASN 596 2HB ASN 596 -7.434 -12.621 9.510 511 HB3 ASN 596 3HB ASN 596 -7.102 -13.168 11.080 512 HD21 ASN 596 HD21 ASN 596 -4.977 -12.334 9.668 513 HD22 ASN 596 HD22 ASN 596 -3.972 -13.749 9.415 514 H LYS 597 H LYS 597 -8.673 -12.156 11.237 515 HA LYS 597 HA LYS 597 -11.551 -12.414 11.745 516 HB2 LYS 597 2HB LYS 597 -9.427 -10.892 13.333 517 HB3 LYS 597 3HB LYS 597 -11.127 -10.962 13.729 518 HG2 LYS 597 2HG LYS 597 -10.115 -12.404 15.233 519 HG3 LYS 597 3HG LYS 597 -10.962 -13.420 14.096 520 HD2 LYS 597 2HD LYS 597 -8.727 -14.264 14.902 521 HD3 LYS 597 3HD LYS 597 -8.959 -14.253 13.172 522 HE2 LYS 597 2HE LYS 597 -6.727 -13.574 13.584 523 HE3 LYS 597 3HE LYS 597 -7.605 -12.194 12.967 524 HZ1 LYS 597 3HZ LYS 597 -7.735 -11.374 15.326 525 HZ2 LYS 597 1HZ LYS 597 -6.185 -11.591 14.825 526 HZ3 LYS 597 2HZ LYS 597 -6.844 -12.681 15.814 527 H GLU 598 H GLU 598 -12.823 -10.583 12.091 528 HA GLU 598 HA GLU 598 -12.267 -8.345 10.315 529 HB2 GLU 598 2HB GLU 598 -14.227 -7.304 11.170 530 HB3 GLU 598 3HB GLU 598 -14.596 -8.993 10.843 531 HG2 GLU 598 2HG GLU 598 -14.360 -9.494 13.279 532 HG3 GLU 598 3HG GLU 598 -14.103 -7.773 13.584 533 H MET 599 H MET 599 -11.115 -6.605 10.780 534 HA MET 599 HA MET 599 -10.128 -6.107 13.533 535 HB2 MET 599 2HB MET 599 -8.314 -5.681 11.201 536 HB3 MET 599 3HB MET 599 -7.953 -5.616 12.896 537 HG2 MET 599 2HG MET 599 -8.157 -8.004 13.104 538 HG3 MET 599 3HG MET 599 -8.744 -8.157 11.442 539 HE1 MET 599 3HE MET 599 -5.713 -7.576 9.186 540 HE2 MET 599 1HE MET 599 -7.466 -7.825 9.335 541 HE3 MET 599 2HE MET 599 -6.764 -6.222 9.653 542 H LYS 600 H LYS 600 -9.218 -3.912 13.763 543 HA LYS 600 HA LYS 600 -9.934 -2.098 11.604 544 HB2 LYS 600 2HB LYS 600 -9.375 -1.596 14.607 545 HB3 LYS 600 3HB LYS 600 -9.031 -0.318 13.469 546 HG2 LYS 600 2HG LYS 600 -11.142 -0.062 14.704 547 HG3 LYS 600 3HG LYS 600 -11.258 0.065 12.948 548 HD2 LYS 600 2HD LYS 600 -13.169 -1.141 13.753 549 HD3 LYS 600 3HD LYS 600 -12.106 -2.147 12.784 550 HE2 LYS 600 2HE LYS 600 -12.706 -3.575 14.576 551 HE3 LYS 600 3HE LYS 600 -11.148 -2.943 15.127 552 HZ1 LYS 600 3HZ LYS 600 -13.833 -1.961 15.907 553 HZ2 LYS 600 1HZ LYS 600 -12.440 -1.278 16.438 554 HZ3 LYS 600 2HZ LYS 600 -12.813 -2.826 16.872 555 H LEU 601 H LEU 601 -8.469 -0.658 11.012 556 HA LEU 601 HA LEU 601 -5.600 -1.069 11.723 557 HB2 LEU 601 2HB LEU 601 -6.665 -1.656 9.088 558 HB3 LEU 601 3HB LEU 601 -5.624 -0.244 8.989 559 HG LEU 601 HG LEU 601 -3.801 -1.596 10.103 560 HD11 LEU 601 1HD1 LEU 601 -5.853 -3.808 9.641 561 HD12 LEU 601 2HD1 LEU 601 -5.131 -3.332 11.195 562 HD13 LEU 601 3HD1 LEU 601 -4.126 -4.105 9.967 563 HD21 LEU 601 3HD2 LEU 601 -3.963 -1.302 7.623 564 HD22 LEU 601 1HD2 LEU 601 -4.973 -2.767 7.534 565 HD23 LEU 601 2HD2 LEU 601 -3.284 -2.872 8.067 566 H SER 602 H SER 602 -4.350 0.822 11.736 567 HA SER 602 HA SER 602 -5.867 3.405 11.631 568 HB2 SER 602 2HB SER 602 -4.615 4.001 13.721 569 HB3 SER 602 3HB SER 602 -5.807 2.709 13.894 570 HG SER 602 HG SER 602 -3.828 2.227 14.933 571 H ASP 603 H ASP 603 -4.539 5.357 11.746 572 HA ASP 603 HA ASP 603 -3.160 5.643 9.434 573 HB2 ASP 603 2HB ASP 603 -2.604 7.837 10.061 574 HB3 ASP 603 3HB ASP 603 -4.137 7.452 10.839 575 H GLY 604 H GLY 604 -1.117 5.966 8.629 576 HA2 GLY 604 2HA GLY 604 1.212 5.690 8.500 577 HA3 GLY 604 3HA GLY 604 1.245 5.009 10.130 578 H SER 605 H SER 605 -1.095 3.187 9.342 579 HA SER 605 HA SER 605 0.370 0.880 8.436 580 HB2 SER 605 2HB SER 605 -2.609 1.438 8.604 581 HB3 SER 605 3HB SER 605 -1.890 -0.169 8.334 582 HG SER 605 HG SER 605 -1.910 1.418 10.626 583 H TYR 606 H TYR 606 -0.366 -0.494 6.673 584 HA TYR 606 HA TYR 606 -1.195 0.871 4.167 585 HB2 TYR 606 2HB TYR 606 0.973 0.839 3.551 586 HB3 TYR 606 3HB TYR 606 1.450 -0.163 4.901 587 HD1 TYR 606 HD1 TYR 606 -0.080 -0.286 1.532 588 HD2 TYR 606 HD2 TYR 606 1.815 -2.488 4.697 589 HE1 TYR 606 HE1 TYR 606 -0.138 -2.373 0.120 590 HE2 TYR 606 HE2 TYR 606 1.806 -4.548 3.301 591 HH TYR 606 HH TYR 606 0.106 -4.636 0.152 592 H PHE 607 H PHE 607 -2.167 -0.493 2.597 593 HA PHE 607 HA PHE 607 -2.578 -3.319 3.140 594 HB2 PHE 607 2HB PHE 607 -5.147 -3.025 3.038 595 HB3 PHE 607 3HB PHE 607 -4.298 -2.705 4.529 596 HD1 PHE 607 1HD PHE 607 -4.611 -0.381 1.576 597 HD2 PHE 607 2HD PHE 607 -5.726 -1.231 5.646 598 HE1 PHE 607 1HE PHE 607 -5.655 1.842 1.746 599 HE2 PHE 607 2HE PHE 607 -6.746 1.029 5.800 600 HZ PHE 607 HZ PHE 607 -6.711 2.560 3.885 601 H GLY 608 H GLY 608 -4.258 -4.185 1.549 602 HA2 GLY 608 2HA GLY 608 -4.767 -4.623 -0.759 603 HA3 GLY 608 3HA GLY 608 -3.682 -3.313 -1.255 604 H GLU 609 H GLU 609 -3.957 -6.676 -0.845 605 HA GLU 609 HA GLU 609 -1.144 -7.088 -0.062 606 HB2 GLU 609 2HB GLU 609 -3.325 -8.159 0.981 607 HB3 GLU 609 3HB GLU 609 -3.100 -9.354 -0.302 608 HG2 GLU 609 2HG GLU 609 -0.752 -9.714 0.517 609 HG3 GLU 609 3HG GLU 609 -1.007 -8.497 1.763 610 H ILE 610 H ILE 610 -1.883 -6.247 -2.807 611 HA ILE 610 HA ILE 610 -1.302 -8.434 -4.632 612 HB ILE 610 HB ILE 610 -1.261 -5.398 -4.975 613 HG12 ILE 610 2HG1 ILE 610 -3.204 -5.913 -6.540 614 HG13 ILE 610 3HG1 ILE 610 -3.239 -7.543 -5.884 615 HG21 ILE 610 1HG2 ILE 610 -1.110 -5.810 -7.408 616 HG22 ILE 610 2HG2 ILE 610 0.323 -6.394 -6.591 617 HG23 ILE 610 3HG2 ILE 610 -0.922 -7.547 -7.113 618 HD11 ILE 610 3HD1 ILE 610 -4.950 -5.968 -4.940 619 HD12 ILE 610 1HD1 ILE 610 -3.922 -6.673 -3.698 620 HD13 ILE 610 2HD1 ILE 610 -3.637 -4.999 -4.240 621 H CYS 611 H CYS 611 0.642 -9.480 -4.497 622 HA CYS 611 HA CYS 611 3.106 -8.102 -3.813 623 HB2 CYS 611 2HB CYS 611 2.887 -10.528 -3.463 624 HB3 CYS 611 3HB CYS 611 2.701 -10.783 -5.202 625 HG CYS 611 HG CYS 611 5.078 -11.455 -4.983 626 H LEU 612 H LEU 612 4.442 -6.984 -5.076 627 HA LEU 612 HA LEU 612 3.882 -5.880 -7.617 628 HB2 LEU 612 2HB LEU 612 6.415 -6.500 -5.985 629 HB3 LEU 612 3HB LEU 612 6.533 -5.651 -7.508 630 HG LEU 612 HG LEU 612 4.475 -4.583 -5.636 631 HD11 LEU 612 1HD1 LEU 612 7.398 -4.226 -4.971 632 HD12 LEU 612 2HD1 LEU 612 6.153 -5.027 -3.979 633 HD13 LEU 612 3HD1 LEU 612 6.024 -3.292 -4.318 634 HD21 LEU 612 3HD2 LEU 612 6.719 -3.031 -6.947 635 HD22 LEU 612 1HD2 LEU 612 5.038 -2.553 -6.544 636 HD23 LEU 612 2HD2 LEU 612 5.358 -3.601 -7.915 637 H LEU 613 H LEU 613 5.348 -9.023 -6.910 638 HA LEU 613 HA LEU 613 5.953 -9.504 -9.769 639 HB2 LEU 613 2HB LEU 613 6.748 -11.078 -7.276 640 HB3 LEU 613 3HB LEU 613 7.199 -11.441 -8.938 641 HG LEU 613 HG LEU 613 8.029 -8.896 -8.890 642 HD11 LEU 613 1HD1 LEU 613 9.095 -8.279 -6.832 643 HD12 LEU 613 2HD1 LEU 613 8.610 -9.794 -6.036 644 HD13 LEU 613 3HD1 LEU 613 7.399 -8.578 -6.449 645 HD21 LEU 613 3HD2 LEU 613 9.565 -11.288 -7.773 646 HD22 LEU 613 1HD2 LEU 613 10.310 -9.769 -8.318 647 HD23 LEU 613 2HD2 LEU 613 9.453 -10.793 -9.473 648 H THR 614 H THR 614 3.319 -9.832 -7.934 649 HA THR 614 HA THR 614 2.506 -12.541 -8.310 650 HB THR 614 HB THR 614 1.451 -10.719 -6.808 651 HG1 THR 614 1HG THR 614 0.268 -12.286 -6.418 652 HG21 THR 614 1HG2 THR 614 -0.532 -9.664 -7.558 653 HG22 THR 614 2HG2 THR 614 -0.471 -10.447 -9.149 654 HG23 THR 614 3HG2 THR 614 0.724 -9.205 -8.720 655 H ARG 615 H ARG 615 0.844 -13.362 -9.589 656 HA ARG 615 HA ARG 615 0.282 -12.062 -12.228 657 HB2 ARG 615 2HB ARG 615 0.502 -15.044 -11.625 658 HB3 ARG 615 3HB ARG 615 -0.239 -14.372 -13.069 659 HG2 ARG 615 2HG ARG 615 1.934 -15.094 -13.641 660 HG3 ARG 615 3HG ARG 615 1.920 -13.341 -13.736 661 HD2 ARG 615 2HD ARG 615 3.326 -13.086 -11.878 662 HD3 ARG 615 3HD ARG 615 2.867 -14.658 -11.192 663 HE ARG 615 HE ARG 615 4.084 -15.542 -13.365 664 HH11 ARG 615 1HH1 ARG 615 5.328 -13.146 -11.052 665 HH12 ARG 615 2HH1 ARG 615 6.969 -13.544 -11.500 666 HH21 ARG 615 1HH2 ARG 615 6.126 -15.993 -13.741 667 HH22 ARG 615 2HH2 ARG 615 7.410 -15.222 -12.824 668 H GLY 616 H GLY 616 -1.880 -12.053 -12.830 669 HA2 GLY 616 2HA GLY 616 -4.184 -12.260 -12.611 670 HA3 GLY 616 3HA GLY 616 -3.907 -13.492 -11.397 671 H ARG 617 H ARG 617 -6.051 -12.053 -11.043 672 HA ARG 617 HA ARG 617 -5.765 -9.809 -9.212 673 HB2 ARG 617 2HB ARG 617 -8.165 -9.989 -8.952 674 HB3 ARG 617 3HB ARG 617 -7.676 -10.092 -10.636 675 HG2 ARG 617 2HG ARG 617 -7.790 -12.755 -10.114 676 HG3 ARG 617 3HG ARG 617 -8.902 -12.201 -8.862 677 HD2 ARG 617 2HD ARG 617 -10.267 -11.040 -10.572 678 HD3 ARG 617 3HD ARG 617 -9.062 -11.419 -11.807 679 HE ARG 617 HE ARG 617 -9.803 -13.625 -11.935 680 HH11 ARG 617 1HH1 ARG 617 -11.384 -12.194 -9.134 681 HH12 ARG 617 2HH1 ARG 617 -12.590 -13.456 -9.078 682 HH21 ARG 617 1HH2 ARG 617 -11.421 -15.184 -11.788 683 HH22 ARG 617 2HH2 ARG 617 -12.485 -15.147 -10.387 684 H ARG 618 H ARG 618 -6.701 -9.796 -7.058 685 HA ARG 618 HA ARG 618 -5.552 -11.943 -5.317 686 HB2 ARG 618 2HB ARG 618 -4.215 -9.784 -5.733 687 HB3 ARG 618 3HB ARG 618 -5.480 -8.936 -4.877 688 HG2 ARG 618 2HG ARG 618 -3.702 -9.180 -3.401 689 HG3 ARG 618 3HG ARG 618 -4.881 -10.315 -2.801 690 HD2 ARG 618 2HD ARG 618 -2.557 -11.121 -4.617 691 HD3 ARG 618 3HD ARG 618 -2.402 -10.975 -2.876 692 HE ARG 618 HE ARG 618 -3.830 -12.807 -2.485 693 HH11 ARG 618 1HH1 ARG 618 -3.092 -12.568 -5.976 694 HH12 ARG 618 2HH1 ARG 618 -3.226 -14.319 -6.092 695 HH21 ARG 618 1HH2 ARG 618 -3.886 -15.047 -2.922 696 HH22 ARG 618 2HH2 ARG 618 -3.565 -15.549 -4.571 697 H THR 619 H THR 619 -6.332 -11.484 -2.885 698 HA THR 619 HA THR 619 -9.164 -10.530 -2.878 699 HB THR 619 HB THR 619 -8.183 -12.872 -1.218 700 HG1 THR 619 1HG THR 619 -8.432 -13.358 -3.428 701 HG21 THR 619 1HG2 THR 619 -10.017 -11.644 -0.116 702 HG22 THR 619 2HG2 THR 619 -10.593 -13.190 -0.745 703 HG23 THR 619 3HG2 THR 619 -10.967 -11.688 -1.620 704 H ALA 620 H ALA 620 -9.271 -8.721 -1.741 705 HA ALA 620 HA ALA 620 -8.843 -9.083 1.128 706 HB1 ALA 620 1HB ALA 620 -8.033 -6.719 1.397 707 HB2 ALA 620 2HB ALA 620 -6.868 -7.773 0.595 708 HB3 ALA 620 3HB ALA 620 -7.837 -6.623 -0.367 709 H SER 621 H SER 621 -10.231 -7.586 2.384 710 HA SER 621 HA SER 621 -12.279 -6.059 0.897 711 HB2 SER 621 2HB SER 621 -13.142 -8.416 1.213 712 HB3 SER 621 3HB SER 621 -13.100 -8.133 2.964 713 HG SER 621 HG SER 621 -15.122 -7.693 1.881 714 H VAL 622 H VAL 622 -12.099 -4.084 1.773 715 HA VAL 622 HA VAL 622 -12.342 -3.743 4.674 716 HB VAL 622 HB VAL 622 -10.028 -4.069 4.648 717 HG11 VAL 622 1HG1 VAL 622 -9.433 -3.867 2.331 718 HG12 VAL 622 2HG1 VAL 622 -9.765 -2.119 2.355 719 HG13 VAL 622 3HG1 VAL 622 -8.416 -2.797 3.299 720 HG21 VAL 622 3HG2 VAL 622 -9.096 -2.058 5.484 721 HG22 VAL 622 1HG2 VAL 622 -10.273 -1.048 4.623 722 HG23 VAL 622 2HG2 VAL 622 -10.801 -2.106 5.956 723 H ARG 623 H ARG 623 -13.066 -1.788 5.371 724 HA ARG 623 HA ARG 623 -13.689 0.291 3.331 725 HB2 ARG 623 2HB ARG 623 -15.854 0.679 4.347 726 HB3 ARG 623 3HB ARG 623 -15.765 -0.930 3.667 727 HG2 ARG 623 2HG ARG 623 -15.172 -0.577 6.618 728 HG3 ARG 623 3HG ARG 623 -16.829 -0.408 6.054 729 HD2 ARG 623 2HD ARG 623 -16.787 -2.647 5.049 730 HD3 ARG 623 3HD ARG 623 -15.091 -2.847 5.491 731 HE ARG 623 HE ARG 623 -15.685 -3.323 7.681 732 HH11 ARG 623 1HH1 ARG 623 -18.667 -2.163 6.081 733 HH12 ARG 623 2HH1 ARG 623 -19.605 -2.815 7.416 734 HH21 ARG 623 1HH2 ARG 623 -16.987 -3.869 9.273 735 HH22 ARG 623 2HH2 ARG 623 -18.734 -3.603 9.142 736 H ALA 624 H ALA 624 -14.116 2.364 4.101 737 HA ALA 624 HA ALA 624 -12.201 3.324 6.045 738 HB1 ALA 624 1HB ALA 624 -13.229 5.482 5.502 739 HB2 ALA 624 2HB ALA 624 -12.927 4.557 4.025 740 HB3 ALA 624 3HB ALA 624 -14.571 4.657 4.683 741 H ASP 625 H ASP 625 -12.431 3.433 8.265 742 HA ASP 625 HA ASP 625 -14.938 2.683 9.576 743 HB2 ASP 625 2HB ASP 625 -12.424 2.534 10.455 744 HB3 ASP 625 3HB ASP 625 -12.657 4.192 10.892 745 H THR 626 H THR 626 -13.345 5.548 8.501 746 HA THR 626 HA THR 626 -15.300 7.455 9.684 747 HB THR 626 HB THR 626 -13.656 7.180 11.378 748 HG1 THR 626 1HG THR 626 -12.959 9.164 11.569 749 HG21 THR 626 1HG2 THR 626 -11.523 7.569 9.245 750 HG22 THR 626 2HG2 THR 626 -11.820 6.101 10.225 751 HG23 THR 626 3HG2 THR 626 -11.232 7.579 11.003 752 H TYR 627 H TYR 627 -14.381 9.765 8.882 753 HA TYR 627 HA TYR 627 -14.082 9.773 5.968 754 HB2 TYR 627 2HB TYR 627 -15.323 11.420 7.366 755 HB3 TYR 627 3HB TYR 627 -13.832 11.896 8.100 756 HD1 TYR 627 HD2 TYR 627 -11.966 12.482 5.881 757 HD2 TYR 627 HD1 TYR 627 -16.216 13.136 6.240 758 HE1 TYR 627 HE2 TYR 627 -11.813 14.380 4.257 759 HE2 TYR 627 HE1 TYR 627 -16.041 15.071 4.679 760 HH TYR 627 HH TYR 627 -13.006 16.136 3.170 761 H CYS 628 H CYS 628 -12.198 8.740 5.355 762 HA CYS 628 HA CYS 628 -9.747 9.103 7.021 763 HB2 CYS 628 2HB CYS 628 -9.120 6.860 6.497 764 HB3 CYS 628 3HB CYS 628 -10.726 6.744 6.915 765 HG CYS 628 HG CYS 628 -9.949 7.313 3.788 766 H ARG 629 H ARG 629 -7.933 9.918 6.239 767 HA ARG 629 HA ARG 629 -7.693 10.796 3.394 768 HB2 ARG 629 2HB ARG 629 -5.935 11.241 5.862 769 HB3 ARG 629 3HB ARG 629 -5.696 12.015 4.316 770 HG2 ARG 629 2HG ARG 629 -8.326 12.436 5.775 771 HG3 ARG 629 3HG ARG 629 -6.888 13.234 6.381 772 HD2 ARG 629 2HD ARG 629 -7.417 13.471 3.445 773 HD3 ARG 629 3HD ARG 629 -8.521 14.313 4.508 774 HE ARG 629 HE ARG 629 -5.626 14.892 4.134 775 HH11 ARG 629 1HH1 ARG 629 -8.512 15.851 6.005 776 HH12 ARG 629 2HH1 ARG 629 -7.764 17.425 6.268 777 HH21 ARG 629 1HH2 ARG 629 -4.871 16.797 4.684 778 HH22 ARG 629 2HH2 ARG 629 -5.884 17.914 5.636 779 H LEU 630 H LEU 630 -6.895 9.294 2.057 780 HA LEU 630 HA LEU 630 -4.770 7.417 3.023 781 HB2 LEU 630 2HB LEU 630 -6.791 6.812 0.855 782 HB3 LEU 630 3HB LEU 630 -5.594 5.728 1.548 783 HG LEU 630 HG LEU 630 -8.132 6.759 2.862 784 HD11 LEU 630 1HD1 LEU 630 -8.491 4.895 1.295 785 HD12 LEU 630 2HD1 LEU 630 -8.709 4.342 2.958 786 HD13 LEU 630 3HD1 LEU 630 -7.213 3.951 2.067 787 HD21 LEU 630 3HD2 LEU 630 -6.403 6.560 4.632 788 HD22 LEU 630 1HD2 LEU 630 -6.079 4.890 4.121 789 HD23 LEU 630 2HD2 LEU 630 -7.657 5.344 4.807 790 H TYR 631 H TYR 631 -3.379 6.621 1.269 791 HA TYR 631 HA TYR 631 -2.920 8.496 -1.005 792 HB2 TYR 631 2HB TYR 631 -1.225 8.008 1.336 793 HB3 TYR 631 3HB TYR 631 -0.405 7.535 -0.132 794 HD1 TYR 631 HD1 TYR 631 0.155 9.160 -1.864 795 HD2 TYR 631 HD2 TYR 631 -1.792 10.350 1.768 796 HE1 TYR 631 HE1 TYR 631 0.788 11.558 -2.307 797 HE2 TYR 631 HE2 TYR 631 -1.107 12.729 1.370 798 HH TYR 631 HH TYR 631 0.011 14.169 -0.014 799 H SER 632 H SER 632 -1.937 7.486 -2.862 800 HA SER 632 HA SER 632 -1.548 4.545 -2.742 801 HB2 SER 632 2HB SER 632 -3.950 4.943 -3.242 802 HB3 SER 632 3HB SER 632 -3.476 5.859 -4.684 803 HG SER 632 HG SER 632 -2.779 3.134 -4.132 804 H LEU 633 H LEU 633 -0.478 3.600 -4.406 805 HA LEU 633 HA LEU 633 0.695 5.174 -6.590 806 HB2 LEU 633 2HB LEU 633 2.243 4.811 -4.336 807 HB3 LEU 633 3HB LEU 633 2.590 3.316 -5.166 808 HG LEU 633 HG LEU 633 2.992 6.126 -6.304 809 HD11 LEU 633 1HD1 LEU 633 4.558 5.527 -4.473 810 HD12 LEU 633 2HD1 LEU 633 5.383 5.633 -6.030 811 HD13 LEU 633 3HD1 LEU 633 4.996 4.042 -5.337 812 HD21 LEU 633 3HD2 LEU 633 4.387 4.967 -8.034 813 HD22 LEU 633 1HD2 LEU 633 2.664 4.592 -8.176 814 HD23 LEU 633 2HD2 LEU 633 3.777 3.415 -7.441 815 H SER 634 H SER 634 0.654 4.017 -8.428 816 HA SER 634 HA SER 634 -0.471 1.378 -8.517 817 HB2 SER 634 2HB SER 634 0.339 1.439 -10.934 818 HB3 SER 634 3HB SER 634 -0.817 2.657 -10.384 819 HG SER 634 HG SER 634 0.746 3.640 -11.581 820 H VAL 635 H VAL 635 0.343 -0.606 -8.729 821 HA VAL 635 HA VAL 635 2.763 -1.140 -7.296 822 HB VAL 635 HB VAL 635 0.713 -2.640 -7.513 823 HG11 VAL 635 1HG1 VAL 635 0.765 -2.903 -10.011 824 HG12 VAL 635 2HG1 VAL 635 2.417 -3.650 -9.816 825 HG13 VAL 635 3HG1 VAL 635 0.990 -4.443 -9.134 826 HG21 VAL 635 3HG2 VAL 635 2.925 -3.164 -6.463 827 HG22 VAL 635 1HG2 VAL 635 2.137 -4.584 -7.173 828 HG23 VAL 635 2HG2 VAL 635 3.432 -3.758 -8.106 829 H ASP 636 H ASP 636 2.098 -1.056 -10.764 830 HA ASP 636 HA ASP 636 4.517 -2.198 -11.407 831 HB2 ASP 636 2HB ASP 636 3.068 -0.122 -13.162 832 HB3 ASP 636 3HB ASP 636 4.098 -1.432 -13.738 833 H ASN 637 H ASN 637 3.829 1.161 -10.649 834 HA ASN 637 HA ASN 637 6.350 2.251 -11.648 835 HB2 ASN 637 2HB ASN 637 3.975 3.397 -10.161 836 HB3 ASN 637 3HB ASN 637 5.450 4.327 -10.466 837 HD21 ASN 637 HD21 ASN 637 6.233 4.297 -12.869 838 HD22 ASN 637 HD22 ASN 637 4.940 4.168 -14.081 839 H PHE 638 H PHE 638 5.332 0.778 -8.696 840 HA PHE 638 HA PHE 638 7.712 1.508 -7.131 841 HB2 PHE 638 2HB PHE 638 5.545 1.032 -6.172 842 HB3 PHE 638 3HB PHE 638 5.566 -0.572 -6.811 843 HD1 PHE 638 1HD PHE 638 8.400 -1.514 -5.949 844 HD2 PHE 638 2HD PHE 638 5.304 0.712 -3.924 845 HE1 PHE 638 1HE PHE 638 9.238 -2.315 -3.789 846 HE2 PHE 638 2HE PHE 638 6.138 -0.119 -1.760 847 HZ PHE 638 HZ PHE 638 8.134 -1.611 -1.673 848 H ASN 639 H ASN 639 6.585 -1.266 -9.212 849 HA ASN 639 HA ASN 639 9.072 -2.705 -9.210 850 HB2 ASN 639 2HB ASN 639 6.749 -2.548 -11.152 851 HB3 ASN 639 3HB ASN 639 8.211 -3.390 -11.604 852 HD21 ASN 639 HD21 ASN 639 5.260 -4.136 -10.730 853 HD22 ASN 639 HD22 ASN 639 5.568 -5.521 -9.719 854 H GLU 640 H GLU 640 8.188 0.238 -11.015 855 HA GLU 640 HA GLU 640 10.440 0.204 -12.831 856 HB2 GLU 640 2HB GLU 640 8.451 2.208 -11.833 857 HB3 GLU 640 3HB GLU 640 9.881 2.856 -12.540 858 HG2 GLU 640 2HG GLU 640 8.109 0.795 -13.956 859 HG3 GLU 640 3HG GLU 640 7.783 2.519 -14.020 860 H VAL 641 H VAL 641 9.956 1.818 -9.679 861 HA VAL 641 HA VAL 641 12.623 2.951 -9.667 862 HB VAL 641 HB VAL 641 10.862 4.117 -8.655 863 HG11 VAL 641 1HG1 VAL 641 9.382 2.378 -8.000 864 HG12 VAL 641 2HG1 VAL 641 10.461 1.872 -6.680 865 HG13 VAL 641 3HG1 VAL 641 9.687 3.474 -6.640 866 HG21 VAL 641 3HG2 VAL 641 11.762 4.729 -6.506 867 HG22 VAL 641 1HG2 VAL 641 12.527 3.161 -6.297 868 HG23 VAL 641 2HG2 VAL 641 13.141 4.288 -7.549 869 H LEU 642 H LEU 642 11.283 -0.033 -8.361 870 HA LEU 642 HA LEU 642 13.453 -0.840 -6.738 871 HB2 LEU 642 2HB LEU 642 11.523 -2.325 -8.538 872 HB3 LEU 642 3HB LEU 642 12.925 -3.196 -7.947 873 HG LEU 642 HG LEU 642 10.811 -1.903 -6.186 874 HD11 LEU 642 1HD1 LEU 642 11.567 -4.825 -6.694 875 HD12 LEU 642 2HD1 LEU 642 10.136 -4.010 -7.368 876 HD13 LEU 642 3HD1 LEU 642 10.280 -4.244 -5.619 877 HD21 LEU 642 3HD2 LEU 642 13.305 -3.511 -5.496 878 HD22 LEU 642 1HD2 LEU 642 11.998 -3.127 -4.349 879 HD23 LEU 642 2HD2 LEU 642 12.985 -1.843 -5.025 880 H GLU 643 H GLU 643 13.314 -0.873 -10.289 881 HA GLU 643 HA GLU 643 15.778 -2.281 -10.689 882 HB2 GLU 643 2HB GLU 643 14.354 -0.357 -12.525 883 HB3 GLU 643 3HB GLU 643 15.692 -1.398 -13.001 884 HG2 GLU 643 2HG GLU 643 14.183 -3.216 -12.188 885 HG3 GLU 643 3HG GLU 643 12.866 -2.067 -12.127 886 H GLU 644 H GLU 644 15.305 1.093 -9.792 887 HA GLU 644 HA GLU 644 17.934 2.034 -10.626 888 HB2 GLU 644 2HB GLU 644 15.858 3.021 -8.684 889 HB3 GLU 644 3HB GLU 644 17.349 3.869 -9.006 890 HG2 GLU 644 2HG GLU 644 15.643 3.091 -11.378 891 HG3 GLU 644 3HG GLU 644 15.018 4.274 -10.287 892 H TYR 645 H TYR 645 16.753 0.109 -8.042 893 HA TYR 645 HA TYR 645 19.258 0.340 -6.445 894 HB2 TYR 645 2HB TYR 645 16.465 0.224 -5.299 895 HB3 TYR 645 3HB TYR 645 17.979 0.331 -4.404 896 HD1 TYR 645 HD2 TYR 645 19.310 2.489 -4.426 897 HD2 TYR 645 HD1 TYR 645 15.509 2.129 -6.406 898 HE1 TYR 645 HE2 TYR 645 19.217 4.959 -4.723 899 HE2 TYR 645 HE1 TYR 645 15.427 4.593 -6.729 900 HH TYR 645 HH TYR 645 18.154 6.705 -5.806 901 HA PRO 646 HA PRO 646 18.192 -3.940 -8.016 902 HB2 PRO 646 2HB PRO 646 20.836 -4.787 -8.366 903 HB3 PRO 646 3HB PRO 646 19.822 -3.965 -9.587 904 HG2 PRO 646 2HG PRO 646 21.808 -2.711 -7.658 905 HG3 PRO 646 3HG PRO 646 21.666 -2.439 -9.426 906 HD2 PRO 646 2HD PRO 646 20.566 -0.700 -7.764 907 HD3 PRO 646 3HD PRO 646 19.603 -1.259 -9.160 908 H MET 647 H MET 647 20.293 -3.015 -5.285 909 HA MET 647 HA MET 647 20.474 -5.578 -4.003 910 HB2 MET 647 2HB MET 647 21.751 -3.599 -3.281 911 HB3 MET 647 3HB MET 647 20.251 -2.743 -2.918 912 HG2 MET 647 2HG MET 647 19.752 -4.634 -1.233 913 HG3 MET 647 3HG MET 647 21.439 -5.122 -1.468 914 HE1 MET 647 3HE MET 647 19.391 -1.733 -1.070 915 HE2 MET 647 1HE MET 647 18.871 -2.898 0.165 916 HE3 MET 647 2HE MET 647 19.728 -1.416 0.651 917 H MET 648 H MET 648 17.951 -3.022 -3.887 918 HA MET 648 HA MET 648 16.212 -4.508 -2.065 919 HB2 MET 648 2HB MET 648 15.753 -2.096 -3.855 920 HB3 MET 648 3HB MET 648 14.550 -2.752 -2.748 921 HG2 MET 648 2HG MET 648 17.215 -1.503 -2.027 922 HG3 MET 648 3HG MET 648 15.624 -0.795 -1.824 923 HE1 MET 648 3HE MET 648 13.700 -2.168 -0.252 924 HE2 MET 648 1HE MET 648 14.248 -3.830 -0.611 925 HE3 MET 648 2HE MET 648 14.190 -3.258 1.066 926 H ARG 649 H ARG 649 16.565 -4.228 -5.610 927 HA ARG 649 HA ARG 649 14.091 -5.450 -6.292 928 HB2 ARG 649 2HB ARG 649 15.753 -4.224 -7.790 929 HB3 ARG 649 3HB ARG 649 16.638 -5.741 -7.941 930 HG2 ARG 649 2HG ARG 649 13.652 -5.648 -8.490 931 HG3 ARG 649 3HG ARG 649 14.754 -4.973 -9.664 932 HD2 ARG 649 2HD ARG 649 15.051 -7.841 -8.673 933 HD3 ARG 649 3HD ARG 649 14.002 -7.410 -10.015 934 HE ARG 649 HE ARG 649 16.877 -7.642 -10.084 935 HH11 ARG 649 1HH1 ARG 649 14.148 -6.074 -11.727 936 HH12 ARG 649 2HH1 ARG 649 15.195 -5.603 -13.061 937 HH21 ARG 649 1HH2 ARG 649 18.058 -6.892 -11.838 938 HH22 ARG 649 2HH2 ARG 649 17.214 -6.104 -13.163 939 H ARG 650 H ARG 650 17.220 -7.075 -5.712 940 HA ARG 650 HA ARG 650 16.110 -9.749 -6.032 941 HB2 ARG 650 2HB ARG 650 18.084 -10.602 -4.922 942 HB3 ARG 650 3HB ARG 650 18.485 -9.514 -6.254 943 HG2 ARG 650 2HG ARG 650 19.142 -7.767 -4.719 944 HG3 ARG 650 3HG ARG 650 18.510 -8.669 -3.324 945 HD2 ARG 650 2HD ARG 650 20.169 -10.445 -3.685 946 HD3 ARG 650 3HD ARG 650 20.796 -9.582 -5.097 947 HE ARG 650 HE ARG 650 21.859 -8.040 -3.744 948 HH11 ARG 650 1HH1 ARG 650 19.816 -10.020 -1.566 949 HH12 ARG 650 2HH1 ARG 650 20.540 -9.210 -0.175 950 HH21 ARG 650 1HH2 ARG 650 22.723 -7.255 -1.778 951 HH22 ARG 650 2HH2 ARG 650 21.999 -7.850 -0.292 952 H ALA 651 H ALA 651 16.489 -7.725 -3.142 953 HA ALA 651 HA ALA 651 15.533 -9.516 -1.225 954 HB1 ALA 651 1HB ALA 651 15.051 -7.544 0.109 955 HB2 ALA 651 2HB ALA 651 16.522 -7.220 -0.828 956 HB3 ALA 651 3HB ALA 651 14.964 -6.519 -1.327 957 H PHE 652 H PHE 652 13.701 -7.955 -3.763 958 HA PHE 652 HA PHE 652 11.110 -8.882 -2.714 959 HB2 PHE 652 2HB PHE 652 12.037 -7.085 -4.894 960 HB3 PHE 652 3HB PHE 652 10.533 -7.955 -5.156 961 HD1 PHE 652 1HD PHE 652 8.615 -7.703 -3.577 962 HD2 PHE 652 2HD PHE 652 12.160 -5.293 -3.278 963 HE1 PHE 652 1HE PHE 652 7.394 -6.087 -2.122 964 HE2 PHE 652 2HE PHE 652 10.942 -3.659 -1.847 965 HZ PHE 652 HZ PHE 652 8.551 -4.056 -1.270 966 H GLU 653 H GLU 653 13.440 -9.906 -5.249 967 HA GLU 653 HA GLU 653 11.741 -11.881 -6.491 968 HB2 GLU 653 2HB GLU 653 14.770 -11.838 -6.239 969 HB3 GLU 653 3HB GLU 653 13.867 -12.841 -7.358 970 HG2 GLU 653 2HG GLU 653 13.799 -9.811 -7.422 971 HG3 GLU 653 3HG GLU 653 15.006 -10.761 -8.273 972 H THR 654 H THR 654 13.279 -11.938 -3.400 973 HA THR 654 HA THR 654 13.188 -14.883 -3.178 974 HB THR 654 HB THR 654 15.103 -13.861 -2.275 975 HG1 THR 654 1HG THR 654 14.267 -15.675 -1.259 976 HG21 THR 654 1HG2 THR 654 14.333 -11.645 -1.686 977 HG22 THR 654 2HG2 THR 654 15.041 -12.429 -0.271 978 HG23 THR 654 3HG2 THR 654 13.277 -12.282 -0.416 979 H VAL 655 H VAL 655 11.578 -12.163 -1.488 980 HA VAL 655 HA VAL 655 9.689 -13.700 -0.003 981 HB VAL 655 HB VAL 655 10.307 -11.463 0.532 982 HG11 VAL 655 1HG1 VAL 655 9.587 -9.487 -0.668 983 HG12 VAL 655 2HG1 VAL 655 10.722 -10.515 -1.541 984 HG13 VAL 655 3HG1 VAL 655 8.987 -10.516 -1.994 985 HG21 VAL 655 3HG2 VAL 655 8.162 -10.400 1.015 986 HG22 VAL 655 1HG2 VAL 655 7.341 -11.510 -0.101 987 HG23 VAL 655 2HG2 VAL 655 8.137 -12.120 1.380 988 H ALA 656 H ALA 656 9.659 -12.561 -3.287 989 HA ALA 656 HA ALA 656 7.063 -13.179 -4.152 990 HB1 ALA 656 1HB ALA 656 8.167 -13.570 -6.355 991 HB2 ALA 656 2HB ALA 656 8.673 -12.079 -5.548 992 HB3 ALA 656 3HB ALA 656 9.744 -13.493 -5.542 993 H ILE 657 H ILE 657 9.336 -15.534 -2.886 994 HA ILE 657 HA ILE 657 7.049 -17.396 -3.114 995 HB ILE 657 HB ILE 657 8.684 -17.957 -4.909 996 HG12 ILE 657 2HG1 ILE 657 8.293 -20.215 -2.920 997 HG13 ILE 657 3HG1 ILE 657 6.975 -19.510 -3.861 998 HG21 ILE 657 1HG2 ILE 657 10.764 -19.090 -4.404 999 HG22 ILE 657 2HG2 ILE 657 10.784 -17.520 -3.609 1000 HG23 ILE 657 3HG2 ILE 657 10.469 -18.989 -2.657 1001 HD11 ILE 657 3HD1 ILE 657 8.143 -20.092 -5.964 1002 HD12 ILE 657 1HD1 ILE 657 9.433 -20.874 -5.019 1003 HD13 ILE 657 2HD1 ILE 657 7.780 -21.512 -4.963 1004 H ASP 658 H ASP 658 9.907 -16.399 -1.273 1005 HA ASP 658 HA ASP 658 9.880 -18.416 0.691 1006 HB2 ASP 658 2HB ASP 658 11.762 -16.935 0.237 1007 HB3 ASP 658 3HB ASP 658 10.840 -15.533 0.784 1008 H ARG 659 H ARG 659 7.636 -15.732 0.461 1009 HA ARG 659 HA ARG 659 7.154 -15.269 3.169 1010 HB2 ARG 659 2HB ARG 659 5.541 -13.810 2.358 1011 HB3 ARG 659 3HB ARG 659 6.805 -13.828 1.162 1012 HG2 ARG 659 2HG ARG 659 5.411 -15.430 -0.211 1013 HG3 ARG 659 3HG ARG 659 4.091 -15.204 0.953 1014 HD2 ARG 659 2HD ARG 659 4.074 -12.784 0.521 1015 HD3 ARG 659 3HD ARG 659 5.435 -12.932 -0.588 1016 HE ARG 659 HE ARG 659 2.631 -13.483 -1.153 1017 HH11 ARG 659 1HH1 ARG 659 5.862 -14.422 -2.184 1018 HH12 ARG 659 2HH1 ARG 659 5.235 -15.126 -3.672 1019 HH21 ARG 659 1HH2 ARG 659 1.983 -14.275 -3.158 1020 HH22 ARG 659 2HH2 ARG 659 3.196 -14.831 -4.270 1021 H LEU 660 H LEU 660 6.079 -18.046 1.509 1022 HA LEU 660 HA LEU 660 3.387 -18.123 1.916 1023 HB2 LEU 660 2HB LEU 660 4.652 -19.716 0.549 1024 HB3 LEU 660 3HB LEU 660 5.319 -20.470 1.997 1025 HG LEU 660 HG LEU 660 3.055 -21.234 2.669 1026 HD11 LEU 660 1HD1 LEU 660 1.626 -19.520 1.624 1027 HD12 LEU 660 2HD1 LEU 660 1.192 -21.118 1.023 1028 HD13 LEU 660 3HD1 LEU 660 2.163 -20.030 0.007 1029 HD21 LEU 660 3HD2 LEU 660 4.508 -22.662 1.272 1030 HD22 LEU 660 1HD2 LEU 660 3.776 -21.968 -0.190 1031 HD23 LEU 660 2HD2 LEU 660 2.791 -22.931 0.934 1032 H ASP 661 H ASP 661 5.667 -19.575 4.319 1033 HA ASP 661 HA ASP 661 3.401 -19.808 6.225 1034 HB2 ASP 661 2HB ASP 661 6.228 -20.727 6.540 1035 HB3 ASP 661 3HB ASP 661 4.828 -21.085 7.585 1036 H ARG 662 H ARG 662 5.156 -17.265 5.553 1037 HA ARG 662 HA ARG 662 6.371 -16.632 8.168 1038 HB2 ARG 662 2HB ARG 662 6.158 -14.871 5.730 1039 HB3 ARG 662 3HB ARG 662 7.289 -14.715 7.083 1040 HG2 ARG 662 2HG ARG 662 7.279 -16.882 4.957 1041 HG3 ARG 662 3HG ARG 662 8.400 -15.532 5.088 1042 HD2 ARG 662 2HD ARG 662 9.270 -16.475 7.212 1043 HD3 ARG 662 3HD ARG 662 8.142 -17.841 7.054 1044 HE ARG 662 HE ARG 662 9.737 -17.473 4.660 1045 HH11 ARG 662 1HH1 ARG 662 9.829 -19.109 7.825 1046 HH12 ARG 662 2HH1 ARG 662 11.070 -20.190 7.234 1047 HH21 ARG 662 1HH2 ARG 662 11.394 -18.852 4.138 1048 HH22 ARG 662 2HH2 ARG 662 11.757 -20.164 5.258 1049 H ILE 663 H ILE 663 3.297 -16.690 7.469 1050 HA ILE 663 HA ILE 663 1.979 -14.586 7.058 1051 HB ILE 663 HB ILE 663 1.144 -16.364 9.335 1052 HG12 ILE 663 2HG1 ILE 663 0.176 -17.601 7.056 1053 HG13 ILE 663 3HG1 ILE 663 1.690 -17.094 6.515 1054 HG21 ILE 663 1HG2 ILE 663 -1.078 -16.088 8.203 1055 HG22 ILE 663 2HG2 ILE 663 -0.399 -14.462 8.413 1056 HG23 ILE 663 3HG2 ILE 663 -0.242 -15.321 6.835 1057 HD11 ILE 663 3HD1 ILE 663 2.587 -18.321 8.698 1058 HD12 ILE 663 1HD1 ILE 663 0.919 -18.821 8.955 1059 HD13 ILE 663 2HD1 ILE 663 1.771 -19.397 7.523 1060 H GLY 664 H GLY 664 2.921 -12.750 7.681 1061 HA2 GLY 664 2HA GLY 664 2.639 -10.643 8.582 1062 HA3 GLY 664 3HA GLY 664 1.246 -11.295 9.448 1063 H LYS 665 H LYS 665 4.371 -12.727 10.138 1064 HA LYS 665 HA LYS 665 3.984 -12.049 12.889 1065 HB2 LYS 665 2HB LYS 665 6.395 -13.358 11.721 1066 HB3 LYS 665 3HB LYS 665 5.898 -13.401 13.400 1067 HG2 LYS 665 2HG LYS 665 4.573 -14.754 11.027 1068 HG3 LYS 665 3HG LYS 665 5.386 -15.517 12.380 1069 HD2 LYS 665 2HD LYS 665 2.748 -13.997 12.570 1070 HD3 LYS 665 3HD LYS 665 2.914 -15.744 12.410 1071 HE2 LYS 665 2HE LYS 665 4.234 -15.768 14.562 1072 HE3 LYS 665 3HE LYS 665 3.941 -14.030 14.714 1073 HZ1 LYS 665 3HZ LYS 665 1.867 -16.157 14.711 1074 HZ2 LYS 665 1HZ LYS 665 1.518 -14.560 14.670 1075 HZ3 LYS 665 2HZ LYS 665 2.304 -15.199 15.974 1076 H LYS 666 H LYS 666 5.376 -10.945 14.369 1077 HA LYS 666 HA LYS 666 6.811 -8.613 13.143 1078 HB2 LYS 666 2HB LYS 666 5.405 -8.970 15.816 1079 HB3 LYS 666 3HB LYS 666 6.487 -7.633 15.482 1080 HG2 LYS 666 2HG LYS 666 4.177 -6.968 15.244 1081 HG3 LYS 666 3HG LYS 666 5.057 -6.768 13.733 1082 HD2 LYS 666 2HD LYS 666 3.929 -8.564 12.688 1083 HD3 LYS 666 3HD LYS 666 3.334 -9.225 14.232 1084 HE2 LYS 666 2HE LYS 666 1.868 -7.306 14.540 1085 HE3 LYS 666 3HE LYS 666 2.502 -6.536 13.072 1086 HZ1 LYS 666 3HZ LYS 666 0.372 -7.693 12.734 1087 HZ2 LYS 666 1HZ LYS 666 1.072 -9.147 13.057 1088 HZ3 LYS 666 2HZ LYS 666 1.559 -8.300 11.758 1089 H ASN 667 H ASN 667 8.795 -7.897 14.027 1090 HA ASN 667 HA ASN 667 10.674 -10.007 14.455 1091 HB2 ASN 667 2HB ASN 667 11.244 -7.882 13.375 1092 HB3 ASN 667 3HB ASN 667 10.908 -6.990 14.862 1093 HD21 ASN 667 HD21 ASN 667 13.098 -9.455 13.435 1094 HD22 ASN 667 HD22 ASN 667 14.456 -8.974 14.457 1095 H SER 668 H SER 668 9.535 -7.531 16.769 1096 HA SER 668 HA SER 668 10.061 -9.392 19.055 1097 HB2 SER 668 2HB SER 668 10.561 -7.343 20.377 1098 HB3 SER 668 3HB SER 668 11.719 -7.652 19.067 1099 HG SER 668 HG SER 668 11.150 -5.480 19.069 1100 H ILE 669 H ILE 669 8.397 -6.301 18.663 1101 HA ILE 669 HA ILE 669 5.726 -7.388 19.339 1102 HB ILE 669 HB ILE 669 5.475 -5.742 21.177 1103 HG12 ILE 669 2HG1 ILE 669 8.475 -5.297 20.852 1104 HG13 ILE 669 3HG1 ILE 669 7.204 -4.116 20.571 1105 HG21 ILE 669 1HG2 ILE 669 6.082 -8.152 21.585 1106 HG22 ILE 669 2HG2 ILE 669 7.777 -7.638 21.774 1107 HG23 ILE 669 3HG2 ILE 669 6.528 -7.047 22.882 1108 HD11 ILE 669 3HD1 ILE 669 6.589 -4.305 23.026 1109 HD12 ILE 669 1HD1 ILE 669 8.051 -5.297 23.244 1110 HD13 ILE 669 2HD1 ILE 669 8.196 -3.623 22.693 1111 H LEU 670 H LEU 670 3.994 -5.793 19.010 1112 HA LEU 670 HA LEU 670 4.619 -3.754 16.999 1113 HB2 LEU 670 2HB LEU 670 2.920 -5.504 16.625 1114 HB3 LEU 670 3HB LEU 670 2.026 -4.955 18.041 1115 HG LEU 670 HG LEU 670 1.526 -2.859 16.981 1116 HD11 LEU 670 1HD1 LEU 670 3.118 -3.873 14.585 1117 HD12 LEU 670 2HD1 LEU 670 3.485 -2.436 15.567 1118 HD13 LEU 670 3HD1 LEU 670 2.041 -2.462 14.555 1119 HD21 LEU 670 3HD2 LEU 670 0.978 -5.168 15.087 1120 HD22 LEU 670 1HD2 LEU 670 0.045 -3.658 15.201 1121 HD23 LEU 670 2HD2 LEU 670 0.055 -4.791 16.561 1122 H LEU 671 H LEU 671 5.832 -2.802 19.031 1123 HA LEU 671 HA LEU 671 4.100 -0.668 20.170 1124 HB2 LEU 671 2HB LEU 671 4.349 -2.296 21.932 1125 HB3 LEU 671 3HB LEU 671 6.093 -2.360 21.682 1126 HG LEU 671 HG LEU 671 6.386 -0.102 22.529 1127 HD11 LEU 671 1HD1 LEU 671 4.495 1.084 23.646 1128 HD12 LEU 671 2HD1 LEU 671 3.359 -0.061 22.904 1129 HD13 LEU 671 3HD1 LEU 671 4.326 1.057 21.901 1130 HD21 LEU 671 3HD2 LEU 671 5.746 -0.515 24.862 1131 HD22 LEU 671 1HD2 LEU 671 6.370 -1.988 24.113 1132 HD23 LEU 671 2HD2 LEU 671 4.617 -1.786 24.350 1133 H HIS 672 H HIS 672 4.834 1.235 20.021 1134 HA HIS 672 HA HIS 672 6.558 2.304 18.310 1135 HB2 HIS 672 2HB HIS 672 4.779 3.369 19.774 1136 HB3 HIS 672 3HB HIS 672 5.969 3.470 21.057 1137 HD1 HIS 672 1HD HIS 672 7.521 5.556 21.012 1138 HD2 HIS 672 2HD HIS 672 5.591 4.750 17.366 1139 HE1 HIS 672 1HE HIS 672 8.152 7.463 19.439 Start of MODEL 2 1 H ASN 534 H ASN 534 7.722 14.898 1.604 2 HA ASN 534 HA ASN 534 5.006 14.525 0.868 3 HB2 ASN 534 2HB ASN 534 6.213 14.149 -1.377 4 HB3 ASN 534 3HB ASN 534 6.958 12.730 -0.646 5 HD21 ASN 534 HD21 ASN 534 3.885 14.203 -1.701 6 HD22 ASN 534 HD22 ASN 534 2.942 12.728 -1.541 7 H CYS 535 H CYS 535 4.423 12.089 1.463 8 HA CYS 535 HA CYS 535 5.270 11.856 4.209 9 HB2 CYS 535 2HB CYS 535 3.274 10.232 2.596 10 HB3 CYS 535 3HB CYS 535 3.422 10.261 4.364 11 HG CYS 535 HG CYS 535 2.835 12.773 4.728 12 H ARG 536 H ARG 536 7.547 11.188 2.738 13 HA ARG 536 HA ARG 536 7.996 8.464 2.137 14 HB2 ARG 536 2HB ARG 536 10.288 8.935 2.091 15 HB3 ARG 536 3HB ARG 536 9.513 10.454 1.642 16 HG2 ARG 536 2HG ARG 536 9.859 11.294 3.962 17 HG3 ARG 536 3HG ARG 536 10.704 9.787 4.363 18 HD2 ARG 536 2HD ARG 536 12.363 10.295 2.549 19 HD3 ARG 536 3HD ARG 536 11.544 11.834 2.270 20 HE ARG 536 HE ARG 536 12.237 12.624 4.437 21 HH11 ARG 536 1HH1 ARG 536 13.800 9.554 3.744 22 HH12 ARG 536 2HH1 ARG 536 14.769 9.669 5.194 23 HH21 ARG 536 1HH2 ARG 536 13.542 12.757 6.026 24 HH22 ARG 536 2HH2 ARG 536 14.544 11.416 6.558 25 H LYS 537 H LYS 537 7.999 9.942 5.320 26 HA LYS 537 HA LYS 537 9.133 7.936 6.926 27 HB2 LYS 537 2HB LYS 537 8.337 10.219 7.551 28 HB3 LYS 537 3HB LYS 537 6.669 9.626 7.510 29 HG2 LYS 537 2HG LYS 537 7.052 8.153 9.389 30 HG3 LYS 537 3HG LYS 537 8.811 8.404 9.293 31 HD2 LYS 537 2HD LYS 537 8.497 10.806 9.770 32 HD3 LYS 537 3HD LYS 537 6.755 10.551 9.980 33 HE2 LYS 537 2HE LYS 537 7.070 9.255 11.960 34 HE3 LYS 537 3HE LYS 537 8.771 8.938 11.579 35 HZ1 LYS 537 3HZ LYS 537 9.286 11.224 11.958 36 HZ2 LYS 537 1HZ LYS 537 8.550 10.656 13.300 37 HZ3 LYS 537 2HZ LYS 537 7.718 11.631 12.261 38 H LEU 538 H LEU 538 5.944 7.864 5.347 39 HA LEU 538 HA LEU 538 5.019 5.582 6.960 40 HB2 LEU 538 2HB LEU 538 3.807 6.944 4.525 41 HB3 LEU 538 3HB LEU 538 3.027 5.698 5.497 42 HG LEU 538 HG LEU 538 3.818 8.482 6.465 43 HD11 LEU 538 1HD1 LEU 538 1.088 7.233 5.942 44 HD12 LEU 538 2HD1 LEU 538 1.881 8.481 4.947 45 HD13 LEU 538 3HD1 LEU 538 1.397 8.854 6.605 46 HD21 LEU 538 3HD2 LEU 538 2.350 6.235 7.923 47 HD22 LEU 538 1HD2 LEU 538 2.490 7.911 8.495 48 HD23 LEU 538 2HD2 LEU 538 3.938 6.919 8.355 49 H VAL 539 H VAL 539 6.006 6.047 3.526 50 HA VAL 539 HA VAL 539 5.847 3.247 2.846 51 HB VAL 539 HB VAL 539 6.098 5.466 1.386 52 HG11 VAL 539 1HG1 VAL 539 8.878 4.255 1.273 53 HG12 VAL 539 2HG1 VAL 539 8.233 5.535 0.228 54 HG13 VAL 539 3HG1 VAL 539 8.467 5.849 1.958 55 HG21 VAL 539 3HG2 VAL 539 6.903 2.647 0.659 56 HG22 VAL 539 1HG2 VAL 539 5.290 3.371 0.559 57 HG23 VAL 539 2HG2 VAL 539 6.572 3.932 -0.528 58 H ALA 540 H ALA 540 8.534 5.192 4.191 59 HA ALA 540 HA ALA 540 10.460 3.088 4.265 60 HB1 ALA 540 1HB ALA 540 10.145 5.559 6.025 61 HB2 ALA 540 2HB ALA 540 11.637 4.635 5.778 62 HB3 ALA 540 3HB ALA 540 10.925 5.539 4.422 63 H SER 541 H SER 541 7.625 3.519 6.247 64 HA SER 541 HA SER 541 8.691 2.114 8.580 65 HB2 SER 541 2HB SER 541 6.164 3.528 7.937 66 HB3 SER 541 3HB SER 541 6.351 2.556 9.382 67 HG SER 541 HG SER 541 7.626 4.942 8.627 68 H MET 542 H MET 542 7.236 1.251 5.631 69 HA MET 542 HA MET 542 5.693 -1.012 6.397 70 HB2 MET 542 2HB MET 542 5.847 0.424 4.205 71 HB3 MET 542 3HB MET 542 7.177 -0.647 3.770 72 HG2 MET 542 2HG MET 542 4.330 -1.475 4.441 73 HG3 MET 542 3HG MET 542 4.967 -1.238 2.813 74 HE1 MET 542 3HE MET 542 4.696 -4.999 2.439 75 HE2 MET 542 1HE MET 542 3.552 -3.709 2.869 76 HE3 MET 542 2HE MET 542 4.746 -3.448 1.571 77 HA PRO 543 HA PRO 543 9.207 -3.480 7.710 78 HB2 PRO 543 2HB PRO 543 8.156 -6.051 7.598 79 HB3 PRO 543 3HB PRO 543 7.813 -4.849 8.878 80 HG2 PRO 543 2HG PRO 543 6.166 -5.453 6.410 81 HG3 PRO 543 3HG PRO 543 5.618 -5.301 8.114 82 HD2 PRO 543 2HD PRO 543 5.361 -3.234 6.421 83 HD3 PRO 543 3HD PRO 543 5.919 -2.934 8.078 84 H LEU 544 H LEU 544 7.847 -4.029 4.534 85 HA LEU 544 HA LEU 544 9.990 -5.722 3.525 86 HB2 LEU 544 2HB LEU 544 7.734 -5.761 2.719 87 HB3 LEU 544 3HB LEU 544 7.796 -4.081 2.226 88 HG LEU 544 HG LEU 544 9.767 -5.951 0.935 89 HD11 LEU 544 1HD1 LEU 544 6.791 -5.700 0.344 90 HD12 LEU 544 2HD1 LEU 544 7.639 -7.168 0.876 91 HD13 LEU 544 3HD1 LEU 544 7.979 -6.497 -0.729 92 HD21 LEU 544 3HD2 LEU 544 8.022 -3.606 -0.013 93 HD22 LEU 544 1HD2 LEU 544 9.206 -4.479 -1.004 94 HD23 LEU 544 2HD2 LEU 544 9.756 -3.510 0.371 95 H PHE 545 H PHE 545 9.721 -2.350 4.118 96 HA PHE 545 HA PHE 545 11.953 -1.528 2.345 97 HB2 PHE 545 2HB PHE 545 9.835 -0.010 3.912 98 HB3 PHE 545 3HB PHE 545 11.214 0.775 3.205 99 HD1 PHE 545 1HD PHE 545 8.508 -1.623 2.002 100 HD2 PHE 545 2HD PHE 545 10.865 1.913 1.286 101 HE1 PHE 545 1HE PHE 545 7.173 -1.133 -0.037 102 HE2 PHE 545 2HE PHE 545 9.499 2.411 -0.726 103 HZ PHE 545 HZ PHE 545 7.585 0.960 -1.300 104 H ALA 546 H ALA 546 12.002 -3.029 5.128 105 HA ALA 546 HA ALA 546 13.107 -1.438 7.145 106 HB1 ALA 546 1HB ALA 546 12.194 -3.695 7.332 107 HB2 ALA 546 2HB ALA 546 13.565 -4.321 6.371 108 HB3 ALA 546 3HB ALA 546 13.849 -3.626 7.992 109 H ASN 547 H ASN 547 14.741 -2.826 4.373 110 HA ASN 547 HA ASN 547 17.346 -1.652 5.200 111 HB2 ASN 547 2HB ASN 547 18.386 -3.522 3.853 112 HB3 ASN 547 3HB ASN 547 17.611 -3.914 5.381 113 HD21 ASN 547 HD21 ASN 547 15.785 -5.220 5.445 114 HD22 ASN 547 HD22 ASN 547 15.252 -6.102 3.993 115 H ALA 548 H ALA 548 14.993 -0.702 3.667 116 HA ALA 548 HA ALA 548 15.784 -0.194 0.978 117 HB1 ALA 548 1HB ALA 548 13.478 0.248 1.884 118 HB2 ALA 548 2HB ALA 548 14.117 1.734 2.646 119 HB3 ALA 548 3HB ALA 548 14.147 1.552 0.891 120 H ASP 549 H ASP 549 16.625 1.650 -0.082 121 HA ASP 549 HA ASP 549 18.662 3.212 1.387 122 HB2 ASP 549 2HB ASP 549 19.383 2.223 -0.655 123 HB3 ASP 549 3HB ASP 549 18.000 2.830 -1.548 124 HA PRO 550 HA PRO 550 15.638 6.360 2.116 125 HB2 PRO 550 2HB PRO 550 17.177 8.575 2.647 126 HB3 PRO 550 3HB PRO 550 17.015 7.175 3.751 127 HG2 PRO 550 2HG PRO 550 19.201 7.674 1.698 128 HG3 PRO 550 3HG PRO 550 19.397 7.264 3.438 129 HD2 PRO 550 2HD PRO 550 19.547 5.351 1.558 130 HD3 PRO 550 3HD PRO 550 18.659 5.032 3.080 131 H ASN 551 H ASN 551 17.649 6.533 -0.619 132 HA ASN 551 HA ASN 551 16.494 9.061 -1.716 133 HB2 ASN 551 2HB ASN 551 18.614 7.332 -3.036 134 HB3 ASN 551 3HB ASN 551 18.205 9.000 -3.362 135 HD21 ASN 551 HD21 ASN 551 19.879 6.813 -1.202 136 HD22 ASN 551 HD22 ASN 551 20.981 8.054 -0.554 137 H PHE 552 H PHE 552 16.802 5.553 -2.204 138 HA PHE 552 HA PHE 552 15.188 5.236 -4.560 139 HB2 PHE 552 2HB PHE 552 16.578 3.448 -3.864 140 HB3 PHE 552 3HB PHE 552 16.022 3.521 -2.222 141 HD1 PHE 552 2HD PHE 552 14.770 2.645 -5.642 142 HD2 PHE 552 1HD PHE 552 14.449 2.051 -1.393 143 HE1 PHE 552 2HE PHE 552 13.184 0.779 -6.025 144 HE2 PHE 552 1HE PHE 552 12.892 0.153 -1.770 145 HZ PHE 552 HZ PHE 552 12.282 -0.498 -4.086 146 H VAL 553 H VAL 553 14.307 5.009 -1.068 147 HA VAL 553 HA VAL 553 11.547 4.510 -1.516 148 HB VAL 553 HB VAL 553 11.117 4.992 0.759 149 HG11 VAL 553 1HG1 VAL 553 12.691 3.491 1.771 150 HG12 VAL 553 2HG1 VAL 553 12.528 2.994 0.061 151 HG13 VAL 553 3HG1 VAL 553 13.941 3.938 0.596 152 HG21 VAL 553 3HG2 VAL 553 12.926 5.764 2.310 153 HG22 VAL 553 1HG2 VAL 553 13.848 6.282 0.894 154 HG23 VAL 553 2HG2 VAL 553 12.290 7.064 1.268 155 H THR 554 H THR 554 13.314 7.457 -1.418 156 HA THR 554 HA THR 554 11.027 9.293 -1.442 157 HB THR 554 HB THR 554 13.986 9.802 -1.984 158 HG1 THR 554 1HG THR 554 13.984 9.330 0.078 159 HG21 THR 554 1HG2 THR 554 11.615 11.620 -1.454 160 HG22 THR 554 2HG2 THR 554 12.629 11.554 -2.909 161 HG23 THR 554 3HG2 THR 554 13.328 12.151 -1.387 162 H ALA 555 H ALA 555 13.361 8.170 -3.979 163 HA ALA 555 HA ALA 555 12.267 9.781 -6.039 164 HB1 ALA 555 1HB ALA 555 13.455 8.183 -7.547 165 HB2 ALA 555 2HB ALA 555 14.468 8.692 -6.187 166 HB3 ALA 555 3HB ALA 555 13.706 7.086 -6.171 167 H MET 556 H MET 556 11.008 6.949 -4.559 168 HA MET 556 HA MET 556 9.185 6.021 -6.584 169 HB2 MET 556 2HB MET 556 10.185 4.915 -4.520 170 HB3 MET 556 3HB MET 556 9.005 5.796 -3.552 171 HG2 MET 556 2HG MET 556 7.172 4.656 -4.710 172 HG3 MET 556 3HG MET 556 8.310 3.840 -5.778 173 HE1 MET 556 3HE MET 556 10.259 1.509 -3.186 174 HE2 MET 556 1HE MET 556 10.292 2.225 -4.819 175 HE3 MET 556 2HE MET 556 10.715 3.200 -3.394 176 H LEU 557 H LEU 557 9.049 8.830 -4.535 177 HA LEU 557 HA LEU 557 6.111 8.880 -4.371 178 HB2 LEU 557 2HB LEU 557 8.082 10.916 -3.300 179 HB3 LEU 557 3HB LEU 557 6.429 10.618 -2.764 180 HG LEU 557 HG LEU 557 8.824 8.767 -2.380 181 HD11 LEU 557 1HD1 LEU 557 7.239 10.340 -0.353 182 HD12 LEU 557 2HD1 LEU 557 8.845 10.779 -1.004 183 HD13 LEU 557 3HD1 LEU 557 8.641 9.271 -0.077 184 HD21 LEU 557 3HD2 LEU 557 5.976 8.452 -1.339 185 HD22 LEU 557 1HD2 LEU 557 7.365 7.415 -0.941 186 HD23 LEU 557 2HD2 LEU 557 6.736 7.430 -2.587 187 H THR 558 H THR 558 8.354 10.065 -6.566 188 HA THR 558 HA THR 558 7.722 12.745 -6.841 189 HB THR 558 HB THR 558 8.843 12.647 -9.070 190 HG1 THR 558 1HG THR 558 9.736 10.643 -9.635 191 HG21 THR 558 1HG2 THR 558 10.128 12.798 -6.945 192 HG22 THR 558 2HG2 THR 558 11.006 11.915 -8.206 193 HG23 THR 558 3HG2 THR 558 10.220 11.025 -6.884 194 H LYS 559 H LYS 559 5.746 10.226 -8.201 195 HA LYS 559 HA LYS 559 3.942 12.364 -9.238 196 HB2 LYS 559 2HB LYS 559 3.226 11.047 -11.117 197 HB3 LYS 559 3HB LYS 559 4.946 11.333 -11.156 198 HG2 LYS 559 2HG LYS 559 4.932 9.201 -11.827 199 HG3 LYS 559 3HG LYS 559 5.176 8.920 -10.126 200 HD2 LYS 559 2HD LYS 559 2.351 8.897 -11.263 201 HD3 LYS 559 3HD LYS 559 3.434 7.569 -11.639 202 HE2 LYS 559 2HE LYS 559 3.772 7.165 -9.175 203 HE3 LYS 559 3HE LYS 559 2.564 8.404 -8.849 204 HZ1 LYS 559 3HZ LYS 559 1.453 6.297 -8.849 205 HZ2 LYS 559 1HZ LYS 559 2.103 5.870 -10.307 206 HZ3 LYS 559 2HZ LYS 559 0.971 7.063 -10.188 207 H LEU 560 H LEU 560 4.144 10.760 -6.670 208 HA LEU 560 HA LEU 560 2.271 8.718 -6.616 209 HB2 LEU 560 2HB LEU 560 4.145 9.170 -5.072 210 HB3 LEU 560 3HB LEU 560 3.193 10.431 -4.279 211 HG LEU 560 HG LEU 560 1.563 8.739 -3.545 212 HD11 LEU 560 1HD1 LEU 560 1.550 7.198 -5.422 213 HD12 LEU 560 2HD1 LEU 560 2.051 6.330 -3.991 214 HD13 LEU 560 3HD1 LEU 560 3.284 6.885 -5.189 215 HD21 LEU 560 3HD2 LEU 560 3.762 8.960 -2.243 216 HD22 LEU 560 1HD2 LEU 560 4.313 7.503 -3.140 217 HD23 LEU 560 2HD2 LEU 560 2.915 7.409 -2.060 218 H LYS 561 H LYS 561 0.197 8.529 -5.573 219 HA LYS 561 HA LYS 561 -1.505 10.977 -5.787 220 HB2 LYS 561 2HB LYS 561 -1.595 8.668 -7.347 221 HB3 LYS 561 3HB LYS 561 -2.826 8.357 -6.149 222 HG2 LYS 561 2HG LYS 561 -4.110 9.421 -7.656 223 HG3 LYS 561 3HG LYS 561 -3.580 10.861 -6.804 224 HD2 LYS 561 2HD LYS 561 -2.493 9.738 -9.427 225 HD3 LYS 561 3HD LYS 561 -3.401 11.236 -9.203 226 HE2 LYS 561 2HE LYS 561 -1.497 12.156 -7.857 227 HE3 LYS 561 3HE LYS 561 -0.583 10.673 -8.160 228 HZ1 LYS 561 3HZ LYS 561 0.020 12.414 -9.710 229 HZ2 LYS 561 1HZ LYS 561 -1.518 12.563 -10.247 230 HZ3 LYS 561 2HZ LYS 561 -0.689 11.188 -10.557 231 H PHE 562 H PHE 562 -3.129 11.333 -4.390 232 HA PHE 562 HA PHE 562 -3.384 9.509 -2.039 233 HB2 PHE 562 2HB PHE 562 -3.046 11.092 -0.577 234 HB3 PHE 562 3HB PHE 562 -2.252 11.958 -1.857 235 HD1 PHE 562 1HD PHE 562 -5.265 11.729 0.260 236 HD2 PHE 562 2HD PHE 562 -3.310 13.965 -2.865 237 HE1 PHE 562 1HE PHE 562 -6.804 13.637 0.662 238 HE2 PHE 562 2HE PHE 562 -4.860 15.868 -2.475 239 HZ PHE 562 HZ PHE 562 -6.613 15.711 -0.708 240 H GLU 563 H GLU 563 -5.407 9.303 -0.999 241 HA GLU 563 HA GLU 563 -7.797 10.190 -2.551 242 HB2 GLU 563 2HB GLU 563 -7.035 7.290 -2.015 243 HB3 GLU 563 3HB GLU 563 -8.674 7.816 -2.422 244 HG2 GLU 563 2HG GLU 563 -7.834 8.833 -4.529 245 HG3 GLU 563 3HG GLU 563 -6.212 8.235 -4.167 246 H VAL 564 H VAL 564 -9.791 9.970 -1.430 247 HA VAL 564 HA VAL 564 -9.658 9.582 1.509 248 HB VAL 564 HB VAL 564 -11.227 11.792 0.143 249 HG11 VAL 564 1HG1 VAL 564 -10.661 11.428 3.067 250 HG12 VAL 564 2HG1 VAL 564 -11.595 12.704 2.212 251 HG13 VAL 564 3HG1 VAL 564 -12.208 11.077 2.262 252 HG21 VAL 564 3HG2 VAL 564 -8.517 11.850 1.483 253 HG22 VAL 564 1HG2 VAL 564 -8.949 12.379 -0.154 254 HG23 VAL 564 2HG2 VAL 564 -9.525 13.312 1.252 255 H PHE 565 H PHE 565 -11.345 8.662 2.440 256 HA PHE 565 HA PHE 565 -13.813 8.057 0.856 257 HB2 PHE 565 2HB PHE 565 -12.305 6.226 2.721 258 HB3 PHE 565 3HB PHE 565 -13.957 5.943 2.185 259 HD1 PHE 565 1HD PHE 565 -10.417 6.282 0.979 260 HD2 PHE 565 2HD PHE 565 -14.458 5.116 -0.006 261 HE1 PHE 565 1HE PHE 565 -9.607 5.155 -1.089 262 HE2 PHE 565 2HE PHE 565 -13.630 3.965 -2.035 263 HZ PHE 565 HZ PHE 565 -11.189 3.930 -2.535 264 H GLN 566 H GLN 566 -15.749 8.341 1.870 265 HA GLN 566 HA GLN 566 -15.813 9.929 4.386 266 HB2 GLN 566 2HB GLN 566 -18.003 8.931 2.492 267 HB3 GLN 566 3HB GLN 566 -18.271 10.062 3.800 268 HG2 GLN 566 2HG GLN 566 -16.834 10.535 1.186 269 HG3 GLN 566 3HG GLN 566 -18.340 11.243 1.743 270 HE21 GLN 566 HE21 GLN 566 -14.846 11.359 1.983 271 HE22 GLN 566 HE22 GLN 566 -14.789 12.727 3.100 272 HA PRO 567 HA PRO 567 -16.927 6.715 7.162 273 HB2 PRO 567 2HB PRO 567 -19.554 8.005 7.846 274 HB3 PRO 567 3HB PRO 567 -18.221 7.506 8.923 275 HG2 PRO 567 2HG PRO 567 -18.649 10.129 8.282 276 HG3 PRO 567 3HG PRO 567 -16.992 9.487 8.440 277 HD2 PRO 567 2HD PRO 567 -18.594 9.976 5.944 278 HD3 PRO 567 3HD PRO 567 -16.865 10.312 6.254 279 H GLY 568 H GLY 568 -17.565 4.701 6.654 280 HA2 GLY 568 2HA GLY 568 -19.215 3.015 6.583 281 HA3 GLY 568 3HA GLY 568 -20.330 4.112 5.759 282 H ASP 569 H ASP 569 -17.562 4.801 4.130 283 HA ASP 569 HA ASP 569 -18.594 3.231 1.988 284 HB2 ASP 569 2HB ASP 569 -18.025 5.676 1.860 285 HB3 ASP 569 3HB ASP 569 -16.320 5.227 1.862 286 H TYR 570 H TYR 570 -17.835 1.474 1.068 287 HA TYR 570 HA TYR 570 -15.576 -0.046 1.968 288 HB2 TYR 570 2HB TYR 570 -17.306 -0.174 -0.511 289 HB3 TYR 570 3HB TYR 570 -15.930 -1.243 -0.278 290 HD1 TYR 570 HD2 TYR 570 -15.767 -2.633 1.854 291 HD2 TYR 570 HD1 TYR 570 -19.419 -0.768 0.517 292 HE1 TYR 570 HE2 TYR 570 -17.077 -4.176 3.284 293 HE2 TYR 570 HE1 TYR 570 -20.737 -2.364 1.915 294 HH TYR 570 HH TYR 570 -19.139 -4.958 3.802 295 H ILE 571 H ILE 571 -13.438 0.171 1.613 296 HA ILE 571 HA ILE 571 -12.609 2.366 -0.154 297 HB ILE 571 HB ILE 571 -10.446 2.149 0.918 298 HG12 ILE 571 2HG1 ILE 571 -11.572 0.184 2.940 299 HG13 ILE 571 3HG1 ILE 571 -10.856 -0.423 1.449 300 HG21 ILE 571 1HG2 ILE 571 -12.171 3.589 1.950 301 HG22 ILE 571 2HG2 ILE 571 -12.696 2.254 2.972 302 HG23 ILE 571 3HG2 ILE 571 -11.059 2.923 3.154 303 HD11 ILE 571 3HD1 ILE 571 -8.804 0.783 1.849 304 HD12 ILE 571 1HD1 ILE 571 -9.445 1.352 3.416 305 HD13 ILE 571 2HD1 ILE 571 -9.190 -0.387 3.133 306 H ILE 572 H ILE 572 -12.370 -1.112 -0.131 307 HA ILE 572 HA ILE 572 -10.704 -1.111 -2.591 308 HB ILE 572 HB ILE 572 -10.400 -2.755 -0.052 309 HG12 ILE 572 2HG1 ILE 572 -8.509 -0.984 -1.656 310 HG13 ILE 572 3HG1 ILE 572 -9.302 -0.512 -0.185 311 HG21 ILE 572 1HG2 ILE 572 -8.607 -4.006 -1.279 312 HG22 ILE 572 2HG2 ILE 572 -10.213 -4.340 -1.888 313 HG23 ILE 572 3HG2 ILE 572 -9.132 -3.233 -2.783 314 HD11 ILE 572 3HD1 ILE 572 -8.108 -2.293 1.081 315 HD12 ILE 572 1HD1 ILE 572 -7.139 -2.618 -0.384 316 HD13 ILE 572 2HD1 ILE 572 -7.073 -1.031 0.385 317 H ARG 573 H ARG 573 -11.131 -2.622 -4.093 318 HA ARG 573 HA ARG 573 -13.043 -4.811 -3.579 319 HB2 ARG 573 2HB ARG 573 -13.298 -2.798 -5.866 320 HB3 ARG 573 3HB ARG 573 -14.069 -4.384 -5.877 321 HG2 ARG 573 2HG ARG 573 -15.323 -3.801 -3.801 322 HG3 ARG 573 3HG ARG 573 -14.644 -2.153 -3.886 323 HD2 ARG 573 2HD ARG 573 -15.599 -1.844 -6.120 324 HD3 ARG 573 3HD ARG 573 -16.168 -3.509 -6.139 325 HE ARG 573 HE ARG 573 -17.220 -1.319 -4.351 326 HH11 ARG 573 1HH1 ARG 573 -17.919 -4.418 -5.902 327 HH12 ARG 573 2HH1 ARG 573 -19.648 -4.052 -5.904 328 HH21 ARG 573 1HH2 ARG 573 -19.307 -1.229 -3.996 329 HH22 ARG 573 2HH2 ARG 573 -20.399 -2.470 -4.621 330 H GLU 574 H GLU 574 -13.045 -6.394 -5.288 331 HA GLU 574 HA GLU 574 -10.366 -6.882 -6.473 332 HB2 GLU 574 2HB GLU 574 -11.992 -8.541 -5.134 333 HB3 GLU 574 3HB GLU 574 -12.698 -8.786 -6.719 334 HG2 GLU 574 2HG GLU 574 -9.724 -9.094 -6.107 335 HG3 GLU 574 3HG GLU 574 -10.882 -10.412 -5.919 336 H GLY 575 H GLY 575 -10.410 -7.733 -8.793 337 HA2 GLY 575 2HA GLY 575 -12.461 -8.037 -10.378 338 HA3 GLY 575 3HA GLY 575 -12.289 -6.291 -10.582 339 H THR 576 H THR 576 -9.117 -7.312 -10.292 340 HA THR 576 HA THR 576 -8.683 -8.035 -13.073 341 HB THR 576 HB THR 576 -9.569 -5.791 -13.372 342 HG1 THR 576 1HG THR 576 -6.850 -5.631 -13.973 343 HG21 THR 576 1HG2 THR 576 -7.143 -4.800 -11.819 344 HG22 THR 576 2HG2 THR 576 -8.836 -4.692 -11.296 345 HG23 THR 576 3HG2 THR 576 -8.297 -3.800 -12.722 346 H ILE 577 H ILE 577 -6.599 -8.012 -13.790 347 HA ILE 577 HA ILE 577 -4.314 -7.963 -11.901 348 HB ILE 577 HB ILE 577 -4.809 -8.772 -14.761 349 HG12 ILE 577 2HG1 ILE 577 -3.535 -10.771 -14.061 350 HG13 ILE 577 3HG1 ILE 577 -3.185 -10.029 -12.505 351 HG21 ILE 577 1HG2 ILE 577 -2.437 -9.026 -15.264 352 HG22 ILE 577 2HG2 ILE 577 -2.857 -7.327 -15.074 353 HG23 ILE 577 3HG2 ILE 577 -1.994 -8.184 -13.772 354 HD11 ILE 577 3HD1 ILE 577 -4.984 -11.789 -12.530 355 HD12 ILE 577 1HD1 ILE 577 -5.499 -10.233 -11.860 356 HD13 ILE 577 2HD1 ILE 577 -5.978 -10.702 -13.515 357 H GLY 578 H GLY 578 -2.441 -6.503 -12.413 358 HA2 GLY 578 2HA GLY 578 -1.530 -4.427 -12.940 359 HA3 GLY 578 3HA GLY 578 -2.992 -4.010 -13.828 360 H LYS 579 H LYS 579 -2.252 -4.876 -10.412 361 HA LYS 579 HA LYS 579 -4.204 -2.804 -9.554 362 HB2 LYS 579 2HB LYS 579 -4.655 -5.383 -9.303 363 HB3 LYS 579 3HB LYS 579 -3.630 -5.226 -7.860 364 HG2 LYS 579 2HG LYS 579 -5.090 -3.407 -7.050 365 HG3 LYS 579 3HG LYS 579 -6.057 -3.508 -8.538 366 HD2 LYS 579 2HD LYS 579 -6.668 -5.863 -7.861 367 HD3 LYS 579 3HD LYS 579 -5.893 -5.543 -6.301 368 HE2 LYS 579 2HE LYS 579 -8.305 -4.120 -7.516 369 HE3 LYS 579 3HE LYS 579 -8.288 -5.167 -6.093 370 HZ1 LYS 579 3HZ LYS 579 -6.846 -3.458 -5.024 371 HZ2 LYS 579 1HZ LYS 579 -8.350 -2.853 -5.432 372 HZ3 LYS 579 2HZ LYS 579 -7.034 -2.490 -6.327 373 H LYS 580 H LYS 580 -3.935 -1.718 -7.536 374 HA LYS 580 HA LYS 580 -1.102 -0.974 -7.081 375 HB2 LYS 580 2HB LYS 580 -3.691 0.424 -6.290 376 HB3 LYS 580 3HB LYS 580 -2.061 1.042 -6.049 377 HG2 LYS 580 2HG LYS 580 -1.826 0.759 -8.650 378 HG3 LYS 580 3HG LYS 580 -3.587 0.714 -8.648 379 HD2 LYS 580 2HD LYS 580 -1.949 2.899 -7.284 380 HD3 LYS 580 3HD LYS 580 -2.464 3.028 -8.961 381 HE2 LYS 580 2HE LYS 580 -4.480 2.546 -6.741 382 HE3 LYS 580 3HE LYS 580 -3.897 4.168 -7.125 383 HZ1 LYS 580 3HZ LYS 580 -4.661 3.863 -9.404 384 HZ2 LYS 580 1HZ LYS 580 -5.904 3.695 -8.314 385 HZ3 LYS 580 2HZ LYS 580 -5.274 2.378 -9.047 386 H MET 581 H MET 581 -0.372 -0.279 -5.018 387 HA MET 581 HA MET 581 -1.438 -1.761 -2.651 388 HB2 MET 581 2HB MET 581 1.030 -1.827 -2.993 389 HB3 MET 581 3HB MET 581 1.079 -0.058 -2.942 390 HG2 MET 581 2HG MET 581 0.198 -0.071 -0.651 391 HG3 MET 581 3HG MET 581 0.033 -1.828 -0.695 392 HE1 MET 581 3HE MET 581 2.561 -1.095 2.099 393 HE2 MET 581 1HE MET 581 1.317 0.078 1.579 394 HE3 MET 581 2HE MET 581 0.945 -1.656 1.616 395 H TYR 582 H TYR 582 -2.087 -0.552 -0.771 396 HA TYR 582 HA TYR 582 -2.495 2.365 -1.091 397 HB2 TYR 582 2HB TYR 582 -4.694 0.422 -0.314 398 HB3 TYR 582 3HB TYR 582 -4.791 2.176 -0.224 399 HD1 TYR 582 HD1 TYR 582 -4.637 -0.744 -2.530 400 HD2 TYR 582 HD2 TYR 582 -5.319 3.499 -2.150 401 HE1 TYR 582 HE1 TYR 582 -5.600 -0.689 -4.818 402 HE2 TYR 582 HE2 TYR 582 -6.331 3.536 -4.409 403 HH TYR 582 HH TYR 582 -6.894 2.340 -6.259 404 H PHE 583 H PHE 583 -2.430 3.496 0.914 405 HA PHE 583 HA PHE 583 -2.249 1.884 3.382 406 HB2 PHE 583 2HB PHE 583 -0.035 2.573 3.981 407 HB3 PHE 583 3HB PHE 583 -0.017 1.794 2.448 408 HD1 PHE 583 2HD PHE 583 0.256 5.139 4.081 409 HD2 PHE 583 1HD PHE 583 0.837 2.832 0.485 410 HE1 PHE 583 2HE PHE 583 1.705 6.934 3.151 411 HE2 PHE 583 1HE PHE 583 2.307 4.613 -0.422 412 HZ PHE 583 HZ PHE 583 2.778 6.648 0.928 413 H ILE 584 H ILE 584 -2.350 3.018 5.373 414 HA ILE 584 HA ILE 584 -4.343 5.141 5.035 415 HB ILE 584 HB ILE 584 -3.621 3.660 7.605 416 HG12 ILE 584 2HG1 ILE 584 -5.588 2.865 5.402 417 HG13 ILE 584 3HG1 ILE 584 -4.158 1.972 5.906 418 HG21 ILE 584 1HG2 ILE 584 -5.046 5.805 7.708 419 HG22 ILE 584 2HG2 ILE 584 -6.220 5.021 6.638 420 HG23 ILE 584 3HG2 ILE 584 -5.907 4.374 8.259 421 HD11 ILE 584 3HD1 ILE 584 -6.764 2.273 7.353 422 HD12 ILE 584 1HD1 ILE 584 -5.828 0.809 6.931 423 HD13 ILE 584 2HD1 ILE 584 -5.283 1.883 8.241 424 H GLN 585 H GLN 585 -3.812 7.227 5.152 425 HA GLN 585 HA GLN 585 -1.274 7.995 6.476 426 HB2 GLN 585 2HB GLN 585 -1.795 8.651 4.168 427 HB3 GLN 585 3HB GLN 585 -3.199 9.554 4.719 428 HG2 GLN 585 2HG GLN 585 -0.421 10.180 5.800 429 HG3 GLN 585 3HG GLN 585 -0.912 10.756 4.213 430 HE21 GLN 585 HE21 GLN 585 -3.188 11.858 4.204 431 HE22 GLN 585 HE22 GLN 585 -3.292 13.130 5.438 432 H HIS 586 H HIS 586 -4.760 8.836 6.664 433 HA HIS 586 HA HIS 586 -4.511 9.280 9.565 434 HB2 HIS 586 2HB HIS 586 -3.842 11.467 8.708 435 HB3 HIS 586 3HB HIS 586 -5.261 11.503 7.656 436 HD1 HIS 586 1HD HIS 586 -4.520 11.497 11.483 437 HD2 HIS 586 2HD HIS 586 -7.445 12.542 8.625 438 HE1 HIS 586 1HE HIS 586 -6.317 12.783 12.733 439 H GLY 587 H GLY 587 -6.130 7.911 10.175 440 HA2 GLY 587 2HA GLY 587 -8.630 8.547 10.577 441 HA3 GLY 587 3HA GLY 587 -8.795 7.978 8.919 442 H VAL 588 H VAL 588 -10.185 6.312 9.813 443 HA VAL 588 HA VAL 588 -8.733 3.994 10.893 444 HB VAL 588 HB VAL 588 -11.332 5.018 12.121 445 HG11 VAL 588 1HG1 VAL 588 -11.142 2.577 12.270 446 HG12 VAL 588 2HG1 VAL 588 -9.505 2.730 12.958 447 HG13 VAL 588 3HG1 VAL 588 -10.918 3.310 13.857 448 HG21 VAL 588 3HG2 VAL 588 -9.526 6.503 12.846 449 HG22 VAL 588 1HG2 VAL 588 -9.995 5.448 14.167 450 HG23 VAL 588 2HG2 VAL 588 -8.507 5.103 13.259 451 H VAL 589 H VAL 589 -9.620 2.030 10.246 452 HA VAL 589 HA VAL 589 -12.019 2.075 8.461 453 HB VAL 589 HB VAL 589 -10.989 0.433 6.996 454 HG11 VAL 589 1HG1 VAL 589 -10.753 2.830 6.401 455 HG12 VAL 589 2HG1 VAL 589 -9.197 2.882 7.253 456 HG13 VAL 589 3HG1 VAL 589 -9.396 1.855 5.821 457 HG21 VAL 589 3HG2 VAL 589 -8.605 -0.093 7.093 458 HG22 VAL 589 1HG2 VAL 589 -8.441 0.869 8.576 459 HG23 VAL 589 2HG2 VAL 589 -9.418 -0.624 8.547 460 H SER 590 H SER 590 -13.254 0.263 8.460 461 HA SER 590 HA SER 590 -12.898 -1.693 10.727 462 HB2 SER 590 2HB SER 590 -15.505 -0.606 9.541 463 HB3 SER 590 3HB SER 590 -15.371 -1.927 10.732 464 HG SER 590 HG SER 590 -15.650 0.485 11.409 465 H VAL 591 H VAL 591 -12.804 -3.705 10.093 466 HA VAL 591 HA VAL 591 -12.386 -4.126 7.172 467 HB VAL 591 HB VAL 591 -10.523 -3.023 8.294 468 HG11 VAL 591 1HG1 VAL 591 -9.414 -4.275 10.287 469 HG12 VAL 591 2HG1 VAL 591 -10.904 -3.402 10.533 470 HG13 VAL 591 3HG1 VAL 591 -10.924 -5.219 10.309 471 HG21 VAL 591 3HG2 VAL 591 -8.808 -4.485 8.259 472 HG22 VAL 591 1HG2 VAL 591 -9.850 -5.912 8.561 473 HG23 VAL 591 2HG2 VAL 591 -9.913 -5.050 6.950 474 H LEU 592 H LEU 592 -12.263 -6.302 6.552 475 HA LEU 592 HA LEU 592 -12.810 -8.314 8.689 476 HB2 LEU 592 2HB LEU 592 -13.942 -8.298 5.829 477 HB3 LEU 592 3HB LEU 592 -14.147 -9.582 6.984 478 HG LEU 592 HG LEU 592 -16.176 -8.487 6.712 479 HD11 LEU 592 1HD1 LEU 592 -16.811 -7.886 8.951 480 HD12 LEU 592 2HD1 LEU 592 -15.132 -7.520 9.377 481 HD13 LEU 592 3HD1 LEU 592 -15.614 -9.196 9.019 482 HD21 LEU 592 3HD2 LEU 592 -15.337 -6.269 5.912 483 HD22 LEU 592 1HD2 LEU 592 -15.110 -5.806 7.616 484 HD23 LEU 592 2HD2 LEU 592 -16.717 -6.210 7.019 485 H THR 593 H THR 593 -11.091 -9.766 8.760 486 HA THR 593 HA THR 593 -9.731 -10.392 6.187 487 HB THR 593 HB THR 593 -8.470 -12.084 7.707 488 HG1 THR 593 1HG THR 593 -8.292 -11.290 9.796 489 HG21 THR 593 1HG2 THR 593 -8.160 -9.061 7.787 490 HG22 THR 593 2HG2 THR 593 -7.471 -10.191 6.591 491 HG23 THR 593 3HG2 THR 593 -6.902 -10.240 8.264 492 H LYS 594 H LYS 594 -10.151 -11.948 4.829 493 HA LYS 594 HA LYS 594 -12.165 -13.900 5.105 494 HB2 LYS 594 2HB LYS 594 -11.462 -14.876 3.162 495 HB3 LYS 594 3HB LYS 594 -11.020 -13.194 2.958 496 HG2 LYS 594 2HG LYS 594 -9.137 -15.501 3.650 497 HG3 LYS 594 3HG LYS 594 -9.351 -14.774 2.056 498 HD2 LYS 594 2HD LYS 594 -8.601 -12.584 3.013 499 HD3 LYS 594 3HD LYS 594 -8.168 -13.408 4.513 500 HE2 LYS 594 2HE LYS 594 -7.018 -13.855 1.725 501 HE3 LYS 594 3HE LYS 594 -6.268 -12.977 3.065 502 HZ1 LYS 594 3HZ LYS 594 -6.239 -15.103 4.315 503 HZ2 LYS 594 1HZ LYS 594 -5.342 -15.164 2.929 504 HZ3 LYS 594 2HZ LYS 594 -6.798 -15.910 3.003 505 H GLY 595 H GLY 595 -12.223 -16.109 5.572 506 HA2 GLY 595 2HA GLY 595 -11.622 -18.016 6.848 507 HA3 GLY 595 3HA GLY 595 -10.029 -17.276 7.151 508 H ASN 596 H ASN 596 -11.379 -14.729 8.056 509 HA ASN 596 HA ASN 596 -10.963 -15.634 10.888 510 HB2 ASN 596 2HB ASN 596 -9.669 -13.483 9.267 511 HB3 ASN 596 3HB ASN 596 -9.296 -13.870 10.876 512 HD21 ASN 596 HD21 ASN 596 -7.199 -13.627 9.636 513 HD22 ASN 596 HD22 ASN 596 -6.462 -15.137 9.172 514 H LYS 597 H LYS 597 -10.669 -12.321 10.425 515 HA LYS 597 HA LYS 597 -12.772 -12.226 12.488 516 HB2 LYS 597 2HB LYS 597 -10.674 -10.134 12.284 517 HB3 LYS 597 3HB LYS 597 -11.400 -10.821 13.724 518 HG2 LYS 597 2HG LYS 597 -9.227 -12.037 12.006 519 HG3 LYS 597 3HG LYS 597 -9.007 -11.176 13.498 520 HD2 LYS 597 2HD LYS 597 -8.798 -13.705 13.568 521 HD3 LYS 597 3HD LYS 597 -9.763 -12.915 14.846 522 HE2 LYS 597 2HE LYS 597 -11.797 -13.639 13.528 523 HE3 LYS 597 3HE LYS 597 -10.661 -14.459 12.424 524 HZ1 LYS 597 3HZ LYS 597 -11.013 -15.026 15.336 525 HZ2 LYS 597 1HZ LYS 597 -9.877 -15.730 14.385 526 HZ3 LYS 597 2HZ LYS 597 -11.469 -16.004 14.085 527 H GLU 598 H GLU 598 -13.364 -10.146 13.178 528 HA GLU 598 HA GLU 598 -13.694 -8.178 11.044 529 HB2 GLU 598 2HB GLU 598 -15.737 -7.263 11.952 530 HB3 GLU 598 3HB GLU 598 -15.942 -8.960 11.503 531 HG2 GLU 598 2HG GLU 598 -15.356 -9.360 14.093 532 HG3 GLU 598 3HG GLU 598 -15.923 -7.695 14.219 533 H MET 599 H MET 599 -12.589 -6.471 11.420 534 HA MET 599 HA MET 599 -11.381 -5.861 14.068 535 HB2 MET 599 2HB MET 599 -9.983 -6.535 11.551 536 HB3 MET 599 3HB MET 599 -9.235 -5.469 12.745 537 HG2 MET 599 2HG MET 599 -9.429 -7.191 14.450 538 HG3 MET 599 3HG MET 599 -10.310 -8.236 13.342 539 HE1 MET 599 3HE MET 599 -9.299 -8.871 10.951 540 HE2 MET 599 1HE MET 599 -8.212 -7.524 10.560 541 HE3 MET 599 2HE MET 599 -7.562 -9.169 10.681 542 H LYS 600 H LYS 600 -10.327 -3.752 14.198 543 HA LYS 600 HA LYS 600 -10.871 -1.979 11.952 544 HB2 LYS 600 2HB LYS 600 -10.393 -1.534 14.942 545 HB3 LYS 600 3HB LYS 600 -9.556 -0.421 13.896 546 HG2 LYS 600 2HG LYS 600 -11.583 0.553 14.654 547 HG3 LYS 600 3HG LYS 600 -11.578 0.358 12.905 548 HD2 LYS 600 2HD LYS 600 -13.763 -0.081 13.796 549 HD3 LYS 600 3HD LYS 600 -13.069 -1.538 13.064 550 HE2 LYS 600 2HE LYS 600 -12.617 -2.493 15.251 551 HE3 LYS 600 3HE LYS 600 -12.910 -0.943 16.057 552 HZ1 LYS 600 3HZ LYS 600 -15.218 -1.085 15.461 553 HZ2 LYS 600 1HZ LYS 600 -14.812 -2.474 16.253 554 HZ3 LYS 600 2HZ LYS 600 -14.987 -2.501 14.631 555 H LEU 601 H LEU 601 -9.288 -0.681 11.278 556 HA LEU 601 HA LEU 601 -6.447 -1.263 11.933 557 HB2 LEU 601 2HB LEU 601 -7.652 -1.661 9.280 558 HB3 LEU 601 3HB LEU 601 -6.447 -0.385 9.240 559 HG LEU 601 HG LEU 601 -4.786 -1.999 10.217 560 HD11 LEU 601 1HD1 LEU 601 -7.074 -3.949 9.719 561 HD12 LEU 601 2HD1 LEU 601 -6.233 -3.647 11.254 562 HD13 LEU 601 3HD1 LEU 601 -5.383 -4.443 9.929 563 HD21 LEU 601 3HD2 LEU 601 -5.011 -1.523 7.763 564 HD22 LEU 601 1HD2 LEU 601 -6.145 -2.884 7.629 565 HD23 LEU 601 2HD2 LEU 601 -4.454 -3.171 8.092 566 H SER 602 H SER 602 -5.158 0.642 11.927 567 HA SER 602 HA SER 602 -6.641 3.245 11.696 568 HB2 SER 602 2HB SER 602 -5.391 4.018 13.662 569 HB3 SER 602 3HB SER 602 -6.414 2.629 14.018 570 HG SER 602 HG SER 602 -4.486 2.196 14.937 571 H ASP 603 H ASP 603 -5.114 5.157 11.714 572 HA ASP 603 HA ASP 603 -3.550 5.161 9.408 573 HB2 ASP 603 2HB ASP 603 -2.753 7.297 10.013 574 HB3 ASP 603 3HB ASP 603 -4.441 7.166 10.490 575 H GLY 604 H GLY 604 -1.454 5.054 8.832 576 HA2 GLY 604 2HA GLY 604 0.817 4.412 9.040 577 HA3 GLY 604 3HA GLY 604 0.510 3.897 10.701 578 H SER 605 H SER 605 -2.028 2.459 9.430 579 HA SER 605 HA SER 605 -0.718 -0.122 8.902 580 HB2 SER 605 2HB SER 605 -3.632 0.653 8.695 581 HB3 SER 605 3HB SER 605 -2.974 -0.993 8.757 582 HG SER 605 HG SER 605 -3.091 0.985 10.748 583 H TYR 606 H TYR 606 -1.368 -1.426 6.973 584 HA TYR 606 HA TYR 606 -2.043 0.095 4.528 585 HB2 TYR 606 2HB TYR 606 -0.022 -0.605 3.374 586 HB3 TYR 606 3HB TYR 606 0.367 0.423 4.741 587 HD1 TYR 606 HD1 TYR 606 1.520 -0.416 6.713 588 HD2 TYR 606 HD2 TYR 606 0.536 -3.054 3.438 589 HE1 TYR 606 HE1 TYR 606 2.853 -2.214 7.755 590 HE2 TYR 606 HE2 TYR 606 1.912 -4.834 4.472 591 HH TYR 606 HH TYR 606 3.372 -4.439 7.719 592 H PHE 607 H PHE 607 -2.464 -1.152 2.680 593 HA PHE 607 HA PHE 607 -2.818 -4.071 2.902 594 HB2 PHE 607 2HB PHE 607 -5.361 -3.728 2.498 595 HB3 PHE 607 3HB PHE 607 -4.693 -3.553 4.098 596 HD1 PHE 607 2HD PHE 607 -4.505 -0.886 1.459 597 HD2 PHE 607 1HD PHE 607 -6.430 -2.263 5.058 598 HE1 PHE 607 2HE PHE 607 -5.518 1.338 1.769 599 HE2 PHE 607 1HE PHE 607 -7.489 -0.025 5.309 600 HZ PHE 607 HZ PHE 607 -6.985 1.787 3.719 601 H GLY 608 H GLY 608 -4.393 -4.733 1.010 602 HA2 GLY 608 2HA GLY 608 -5.090 -4.654 -1.204 603 HA3 GLY 608 3HA GLY 608 -4.116 -3.213 -1.476 604 H GLU 609 H GLU 609 -1.576 -4.515 -0.579 605 HA GLU 609 HA GLU 609 -1.128 -6.651 -2.597 606 HB2 GLU 609 2HB GLU 609 -0.732 -4.565 -3.795 607 HB3 GLU 609 3HB GLU 609 0.333 -4.001 -2.516 608 HG2 GLU 609 2HG GLU 609 1.590 -4.650 -4.464 609 HG3 GLU 609 3HG GLU 609 2.022 -5.673 -3.104 610 H ILE 610 H ILE 610 0.790 -7.814 -2.324 611 HA ILE 610 HA ILE 610 1.668 -8.026 0.530 612 HB ILE 610 HB ILE 610 1.024 -10.001 -1.653 613 HG12 ILE 610 2HG1 ILE 610 -0.105 -11.162 0.245 614 HG13 ILE 610 3HG1 ILE 610 0.300 -9.813 1.300 615 HG21 ILE 610 1HG2 ILE 610 3.207 -10.759 -1.000 616 HG22 ILE 610 2HG2 ILE 610 2.804 -10.604 0.739 617 HG23 ILE 610 3HG2 ILE 610 2.007 -11.819 -0.289 618 HD11 ILE 610 3HD1 ILE 610 -2.060 -9.885 0.414 619 HD12 ILE 610 1HD1 ILE 610 -1.227 -8.368 0.088 620 HD13 ILE 610 2HD1 ILE 610 -1.417 -9.577 -1.211 621 H CYS 611 H CYS 611 2.855 -8.205 -2.833 622 HA CYS 611 HA CYS 611 5.423 -7.008 -2.186 623 HB2 CYS 611 2HB CYS 611 5.667 -9.422 -1.467 624 HB3 CYS 611 3HB CYS 611 5.292 -9.915 -3.124 625 HG CYS 611 HG CYS 611 7.914 -10.097 -2.592 626 H LEU 612 H LEU 612 6.635 -6.511 -4.213 627 HA LEU 612 HA LEU 612 5.073 -6.120 -6.624 628 HB2 LEU 612 2HB LEU 612 8.088 -6.280 -6.252 629 HB3 LEU 612 3HB LEU 612 7.256 -5.655 -7.671 630 HG LEU 612 HG LEU 612 7.128 -4.427 -4.891 631 HD11 LEU 612 1HD1 LEU 612 9.325 -4.311 -6.114 632 HD12 LEU 612 2HD1 LEU 612 8.569 -2.754 -5.776 633 HD13 LEU 612 3HD1 LEU 612 8.501 -3.444 -7.419 634 HD21 LEU 612 3HD2 LEU 612 6.110 -2.511 -5.980 635 HD22 LEU 612 1HD2 LEU 612 5.080 -3.910 -6.284 636 HD23 LEU 612 2HD2 LEU 612 6.163 -3.281 -7.553 637 H LEU 613 H LEU 613 6.526 -8.929 -5.311 638 HA LEU 613 HA LEU 613 6.543 -10.393 -7.906 639 HB2 LEU 613 2HB LEU 613 8.080 -11.055 -5.374 640 HB3 LEU 613 3HB LEU 613 8.096 -11.951 -6.887 641 HG LEU 613 HG LEU 613 8.768 -9.506 -7.842 642 HD11 LEU 613 1HD1 LEU 613 10.041 -9.660 -5.078 643 HD12 LEU 613 2HD1 LEU 613 8.829 -8.466 -5.574 644 HD13 LEU 613 3HD1 LEU 613 10.424 -8.469 -6.343 645 HD21 LEU 613 3HD2 LEU 613 10.025 -11.573 -8.245 646 HD22 LEU 613 1HD2 LEU 613 10.658 -11.546 -6.590 647 HD23 LEU 613 2HD2 LEU 613 11.135 -10.284 -7.754 648 H THR 614 H THR 614 4.510 -9.896 -5.486 649 HA THR 614 HA THR 614 3.221 -12.549 -5.990 650 HB THR 614 HB THR 614 1.306 -11.616 -4.560 651 HG1 THR 614 1HG THR 614 1.928 -9.473 -4.286 652 HG21 THR 614 1HG2 THR 614 2.921 -13.406 -3.900 653 HG22 THR 614 2HG2 THR 614 2.313 -12.442 -2.554 654 HG23 THR 614 3HG2 THR 614 3.957 -12.151 -3.183 655 H ARG 615 H ARG 615 1.431 -12.618 -7.289 656 HA ARG 615 HA ARG 615 0.805 -10.233 -8.940 657 HB2 ARG 615 2HB ARG 615 1.447 -11.268 -11.005 658 HB3 ARG 615 3HB ARG 615 2.826 -11.225 -9.923 659 HG2 ARG 615 2HG ARG 615 2.519 -13.616 -9.392 660 HG3 ARG 615 3HG ARG 615 1.128 -13.706 -10.476 661 HD2 ARG 615 2HD ARG 615 3.948 -12.890 -11.312 662 HD3 ARG 615 3HD ARG 615 3.308 -14.531 -11.439 663 HE ARG 615 HE ARG 615 1.440 -13.108 -12.838 664 HH11 ARG 615 1HH1 ARG 615 4.907 -13.516 -13.201 665 HH12 ARG 615 2HH1 ARG 615 4.899 -12.973 -14.864 666 HH21 ARG 615 1HH2 ARG 615 1.484 -12.579 -15.026 667 HH22 ARG 615 2HH2 ARG 615 3.011 -12.690 -15.901 668 H GLY 616 H GLY 616 -0.753 -10.936 -10.789 669 HA2 GLY 616 2HA GLY 616 -2.756 -11.990 -11.411 670 HA3 GLY 616 3HA GLY 616 -2.678 -12.981 -9.964 671 H ARG 617 H ARG 617 -4.964 -12.541 -9.964 672 HA ARG 617 HA ARG 617 -6.191 -10.064 -9.233 673 HB2 ARG 617 2HB ARG 617 -6.987 -12.870 -8.361 674 HB3 ARG 617 3HB ARG 617 -8.038 -11.461 -8.374 675 HG2 ARG 617 2HG ARG 617 -6.792 -12.760 -10.839 676 HG3 ARG 617 3HG ARG 617 -8.415 -13.042 -10.281 677 HD2 ARG 617 2HD ARG 617 -7.502 -10.235 -10.975 678 HD3 ARG 617 3HD ARG 617 -7.954 -11.381 -12.236 679 HE ARG 617 HE ARG 617 -9.717 -10.414 -10.019 680 HH11 ARG 617 1HH1 ARG 617 -9.520 -11.528 -13.376 681 HH12 ARG 617 2HH1 ARG 617 -11.249 -11.369 -13.575 682 HH21 ARG 617 1HH2 ARG 617 -11.812 -10.582 -10.272 683 HH22 ARG 617 2HH2 ARG 617 -12.554 -10.954 -11.828 684 H ARG 618 H ARG 618 -6.474 -8.949 -7.396 685 HA ARG 618 HA ARG 618 -5.299 -9.855 -4.809 686 HB2 ARG 618 2HB ARG 618 -4.449 -7.503 -6.484 687 HB3 ARG 618 3HB ARG 618 -4.447 -7.319 -4.736 688 HG2 ARG 618 2HG ARG 618 -2.779 -8.901 -4.376 689 HG3 ARG 618 3HG ARG 618 -3.096 -9.768 -5.875 690 HD2 ARG 618 2HD ARG 618 -1.868 -6.976 -5.781 691 HD3 ARG 618 3HD ARG 618 -0.943 -8.483 -5.858 692 HE ARG 618 HE ARG 618 -2.706 -8.799 -7.925 693 HH11 ARG 618 1HH1 ARG 618 -0.188 -6.383 -7.352 694 HH12 ARG 618 2HH1 ARG 618 -0.223 -5.925 -9.060 695 HH21 ARG 618 1HH2 ARG 618 -2.424 -8.398 -9.913 696 HH22 ARG 618 2HH2 ARG 618 -1.174 -7.298 -10.472 697 H THR 619 H THR 619 -6.179 -8.967 -2.982 698 HA THR 619 HA THR 619 -8.959 -7.905 -3.337 699 HB THR 619 HB THR 619 -8.368 -10.531 -1.930 700 HG1 THR 619 1HG THR 619 -9.278 -11.413 -3.988 701 HG21 THR 619 1HG2 THR 619 -10.583 -9.541 -1.506 702 HG22 THR 619 2HG2 THR 619 -10.736 -11.007 -2.476 703 HG23 THR 619 3HG2 THR 619 -10.875 -9.415 -3.253 704 H ALA 620 H ALA 620 -9.862 -6.994 -1.480 705 HA ALA 620 HA ALA 620 -9.124 -7.916 1.119 706 HB1 ALA 620 1HB ALA 620 -8.367 -5.883 2.186 707 HB2 ALA 620 2HB ALA 620 -7.273 -6.227 0.840 708 HB3 ALA 620 3HB ALA 620 -8.515 -4.962 0.686 709 H SER 621 H SER 621 -10.790 -7.629 2.563 710 HA SER 621 HA SER 621 -13.273 -6.332 1.518 711 HB2 SER 621 2HB SER 621 -14.293 -7.882 3.360 712 HB3 SER 621 3HB SER 621 -13.800 -8.530 1.796 713 HG SER 621 HG SER 621 -12.293 -8.676 4.215 714 H VAL 622 H VAL 622 -12.819 -4.193 2.197 715 HA VAL 622 HA VAL 622 -13.231 -3.701 5.081 716 HB VAL 622 HB VAL 622 -10.942 -4.136 5.135 717 HG11 VAL 622 1HG1 VAL 622 -10.245 -4.106 2.879 718 HG12 VAL 622 2HG1 VAL 622 -10.550 -2.364 2.731 719 HG13 VAL 622 3HG1 VAL 622 -9.238 -2.973 3.777 720 HG21 VAL 622 3HG2 VAL 622 -11.045 -1.117 5.011 721 HG22 VAL 622 1HG2 VAL 622 -11.606 -2.125 6.378 722 HG23 VAL 622 2HG2 VAL 622 -9.904 -2.147 5.906 723 H ARG 623 H ARG 623 -13.787 -1.645 5.727 724 HA ARG 623 HA ARG 623 -14.310 0.419 3.642 725 HB2 ARG 623 2HB ARG 623 -16.570 0.694 4.304 726 HB3 ARG 623 3HB ARG 623 -16.337 -1.032 4.069 727 HG2 ARG 623 2HG ARG 623 -15.903 -1.039 6.680 728 HG3 ARG 623 3HG ARG 623 -16.719 0.524 6.641 729 HD2 ARG 623 2HD ARG 623 -17.809 -2.161 5.688 730 HD3 ARG 623 3HD ARG 623 -18.302 -1.276 7.139 731 HE ARG 623 HE ARG 623 -18.739 0.450 4.919 732 HH11 ARG 623 1HH1 ARG 623 -20.107 -2.605 6.094 733 HH12 ARG 623 2HH1 ARG 623 -21.642 -2.195 5.329 734 HH21 ARG 623 1HH2 ARG 623 -20.714 0.778 4.067 735 HH22 ARG 623 2HH2 ARG 623 -21.988 -0.409 4.372 736 H ALA 624 H ALA 624 -14.750 2.565 4.503 737 HA ALA 624 HA ALA 624 -12.901 3.171 6.709 738 HB1 ALA 624 1HB ALA 624 -12.960 4.486 4.598 739 HB2 ALA 624 2HB ALA 624 -14.602 5.028 5.010 740 HB3 ALA 624 3HB ALA 624 -13.223 5.468 6.044 741 H ASP 625 H ASP 625 -13.449 3.611 8.832 742 HA ASP 625 HA ASP 625 -16.271 3.287 9.622 743 HB2 ASP 625 2HB ASP 625 -13.954 2.620 10.884 744 HB3 ASP 625 3HB ASP 625 -14.128 4.209 11.533 745 H THR 626 H THR 626 -14.373 5.750 8.629 746 HA THR 626 HA THR 626 -15.872 8.068 9.655 747 HB THR 626 HB THR 626 -14.528 7.572 11.583 748 HG1 THR 626 1HG THR 626 -14.461 9.685 11.360 749 HG21 THR 626 1HG2 THR 626 -12.852 6.073 10.682 750 HG22 THR 626 2HG2 THR 626 -12.051 7.443 11.480 751 HG23 THR 626 3HG2 THR 626 -12.153 7.405 9.703 752 H TYR 627 H TYR 627 -14.402 10.133 8.878 753 HA TYR 627 HA TYR 627 -14.035 9.820 5.997 754 HB2 TYR 627 2HB TYR 627 -15.173 11.719 7.013 755 HB3 TYR 627 3HB TYR 627 -13.755 12.133 7.907 756 HD1 TYR 627 HD2 TYR 627 -11.599 12.119 5.746 757 HD2 TYR 627 HD1 TYR 627 -15.642 13.595 5.822 758 HE1 TYR 627 HE2 TYR 627 -11.025 13.792 3.990 759 HE2 TYR 627 HE1 TYR 627 -15.035 15.332 4.139 760 HH TYR 627 HH TYR 627 -13.374 16.212 2.823 761 H CYS 628 H CYS 628 -12.240 8.746 5.413 762 HA CYS 628 HA CYS 628 -9.738 8.982 7.040 763 HB2 CYS 628 2HB CYS 628 -11.056 6.804 7.056 764 HB3 CYS 628 3HB CYS 628 -10.633 6.625 5.338 765 HG CYS 628 HG CYS 628 -9.116 5.086 6.794 766 H ARG 629 H ARG 629 -7.901 9.551 6.131 767 HA ARG 629 HA ARG 629 -7.679 10.108 3.198 768 HB2 ARG 629 2HB ARG 629 -5.706 10.725 5.450 769 HB3 ARG 629 3HB ARG 629 -5.678 11.348 3.812 770 HG2 ARG 629 2HG ARG 629 -7.732 12.064 5.947 771 HG3 ARG 629 3HG ARG 629 -6.331 13.021 5.470 772 HD2 ARG 629 2HD ARG 629 -7.294 13.075 3.105 773 HD3 ARG 629 3HD ARG 629 -8.751 12.361 3.770 774 HE ARG 629 HE ARG 629 -8.984 14.355 5.246 775 HH11 ARG 629 1HH1 ARG 629 -6.581 14.999 2.749 776 HH12 ARG 629 2HH1 ARG 629 -7.186 16.640 2.531 777 HH21 ARG 629 1HH2 ARG 629 -9.322 16.373 5.217 778 HH22 ARG 629 2HH2 ARG 629 -8.462 17.464 4.141 779 H LEU 630 H LEU 630 -6.823 8.670 1.973 780 HA LEU 630 HA LEU 630 -4.805 6.707 2.975 781 HB2 LEU 630 2HB LEU 630 -6.660 6.417 0.585 782 HB3 LEU 630 3HB LEU 630 -5.503 5.231 1.187 783 HG LEU 630 HG LEU 630 -8.091 6.101 2.540 784 HD11 LEU 630 1HD1 LEU 630 -8.741 3.754 2.178 785 HD12 LEU 630 2HD1 LEU 630 -7.157 3.407 1.441 786 HD13 LEU 630 3HD1 LEU 630 -8.295 4.507 0.646 787 HD21 LEU 630 3HD2 LEU 630 -6.470 5.688 4.305 788 HD22 LEU 630 1HD2 LEU 630 -5.930 4.188 3.510 789 HD23 LEU 630 2HD2 LEU 630 -7.566 4.311 4.210 790 H TYR 631 H TYR 631 -3.264 6.020 1.339 791 HA TYR 631 HA TYR 631 -2.656 7.980 -0.811 792 HB2 TYR 631 2HB TYR 631 -1.107 7.479 1.554 793 HB3 TYR 631 3HB TYR 631 -0.236 6.809 0.187 794 HD1 TYR 631 HD2 TYR 631 0.140 8.305 -1.846 795 HD2 TYR 631 HD1 TYR 631 -1.061 9.816 1.991 796 HE1 TYR 631 HE2 TYR 631 0.966 10.608 -2.475 797 HE2 TYR 631 HE1 TYR 631 -0.230 12.089 1.377 798 HH TYR 631 HH TYR 631 0.657 13.419 -0.323 799 H SER 632 H SER 632 -2.005 7.060 -2.754 800 HA SER 632 HA SER 632 -2.376 4.103 -2.935 801 HB2 SER 632 2HB SER 632 -3.221 6.248 -4.916 802 HB3 SER 632 3HB SER 632 -3.627 4.522 -4.958 803 HG SER 632 HG SER 632 -5.349 5.758 -4.132 804 H LEU 633 H LEU 633 -0.782 2.960 -3.934 805 HA LEU 633 HA LEU 633 1.176 4.416 -5.677 806 HB2 LEU 633 2HB LEU 633 1.744 4.054 -3.153 807 HB3 LEU 633 3HB LEU 633 2.026 2.385 -3.605 808 HG LEU 633 HG LEU 633 3.484 4.844 -4.745 809 HD11 LEU 633 1HD1 LEU 633 4.391 2.686 -2.789 810 HD12 LEU 633 2HD1 LEU 633 3.984 4.369 -2.374 811 HD13 LEU 633 3HD1 LEU 633 5.371 4.029 -3.410 812 HD21 LEU 633 3HD2 LEU 633 3.564 3.102 -6.428 813 HD22 LEU 633 1HD2 LEU 633 3.940 1.862 -5.206 814 HD23 LEU 633 2HD2 LEU 633 5.117 3.135 -5.602 815 H SER 634 H SER 634 1.172 3.571 -7.624 816 HA SER 634 HA SER 634 0.287 0.858 -8.175 817 HB2 SER 634 2HB SER 634 0.864 1.616 -10.565 818 HB3 SER 634 3HB SER 634 -0.454 2.429 -9.715 819 HG SER 634 HG SER 634 1.033 3.828 -10.812 820 H VAL 635 H VAL 635 1.411 -0.897 -8.805 821 HA VAL 635 HA VAL 635 4.185 -0.989 -7.989 822 HB VAL 635 HB VAL 635 4.221 -3.285 -8.551 823 HG11 VAL 635 1HG1 VAL 635 1.496 -2.820 -7.320 824 HG12 VAL 635 2HG1 VAL 635 2.661 -4.150 -7.025 825 HG13 VAL 635 3HG1 VAL 635 3.025 -2.511 -6.457 826 HG21 VAL 635 3HG2 VAL 635 1.467 -3.071 -9.756 827 HG22 VAL 635 1HG2 VAL 635 2.996 -3.365 -10.643 828 HG23 VAL 635 2HG2 VAL 635 2.406 -4.542 -9.462 829 H ASP 636 H ASP 636 2.621 -0.487 -11.083 830 HA ASP 636 HA ASP 636 4.822 -1.029 -12.809 831 HB2 ASP 636 2HB ASP 636 2.511 0.916 -12.914 832 HB3 ASP 636 3HB ASP 636 3.795 1.074 -14.086 833 H ASN 637 H ASN 637 4.275 1.852 -10.751 834 HA ASN 637 HA ASN 637 6.702 3.215 -11.772 835 HB2 ASN 637 2HB ASN 637 4.729 3.940 -9.584 836 HB3 ASN 637 3HB ASN 637 6.115 4.920 -10.087 837 HD21 ASN 637 HD21 ASN 637 6.173 5.304 -12.680 838 HD22 ASN 637 HD22 ASN 637 4.583 5.747 -13.283 839 H PHE 638 H PHE 638 5.718 1.315 -8.945 840 HA PHE 638 HA PHE 638 8.067 1.604 -7.347 841 HB2 PHE 638 2HB PHE 638 5.762 0.808 -6.756 842 HB3 PHE 638 3HB PHE 638 6.264 -0.751 -7.385 843 HD1 PHE 638 1HD PHE 638 9.296 0.019 -6.093 844 HD2 PHE 638 2HD PHE 638 5.253 -0.434 -4.671 845 HE1 PHE 638 1HE PHE 638 10.144 -0.854 -3.964 846 HE2 PHE 638 2HE PHE 638 6.123 -1.360 -2.538 847 HZ PHE 638 HZ PHE 638 8.591 -1.668 -2.239 848 H ASN 639 H ASN 639 7.230 -1.119 -9.574 849 HA ASN 639 HA ASN 639 9.827 -2.325 -9.600 850 HB2 ASN 639 2HB ASN 639 7.592 -2.283 -11.693 851 HB3 ASN 639 3HB ASN 639 9.018 -3.289 -11.823 852 HD21 ASN 639 HD21 ASN 639 5.909 -3.098 -10.484 853 HD22 ASN 639 HD22 ASN 639 5.971 -4.707 -9.771 854 H GLU 640 H GLU 640 8.722 0.593 -11.161 855 HA GLU 640 HA GLU 640 10.783 0.742 -13.223 856 HB2 GLU 640 2HB GLU 640 8.859 1.741 -13.897 857 HB3 GLU 640 3HB GLU 640 8.423 2.251 -12.302 858 HG2 GLU 640 2HG GLU 640 9.905 4.125 -12.369 859 HG3 GLU 640 3HG GLU 640 10.423 3.704 -14.020 860 H VAL 641 H VAL 641 10.245 2.304 -10.067 861 HA VAL 641 HA VAL 641 12.869 3.597 -10.054 862 HB VAL 641 HB VAL 641 11.072 4.545 -8.817 863 HG11 VAL 641 1HG1 VAL 641 11.121 2.078 -7.051 864 HG12 VAL 641 2HG1 VAL 641 10.313 3.610 -6.660 865 HG13 VAL 641 3HG1 VAL 641 9.775 2.680 -8.044 866 HG21 VAL 641 3HG2 VAL 641 12.203 5.080 -6.769 867 HG22 VAL 641 1HG2 VAL 641 13.122 3.583 -6.810 868 HG23 VAL 641 2HG2 VAL 641 13.453 4.847 -8.027 869 H LEU 642 H LEU 642 11.715 0.450 -9.091 870 HA LEU 642 HA LEU 642 13.867 -0.761 -7.749 871 HB2 LEU 642 2HB LEU 642 11.602 -1.599 -8.674 872 HB3 LEU 642 3HB LEU 642 12.736 -2.364 -9.807 873 HG LEU 642 HG LEU 642 14.101 -3.124 -7.759 874 HD11 LEU 642 1HD1 LEU 642 12.783 -3.197 -5.581 875 HD12 LEU 642 2HD1 LEU 642 11.654 -2.004 -6.296 876 HD13 LEU 642 3HD1 LEU 642 13.363 -1.595 -5.959 877 HD21 LEU 642 3HD2 LEU 642 12.448 -4.413 -8.910 878 HD22 LEU 642 1HD2 LEU 642 11.177 -3.689 -7.868 879 HD23 LEU 642 2HD2 LEU 642 12.411 -4.773 -7.150 880 H GLU 643 H GLU 643 13.712 0.040 -11.250 881 HA GLU 643 HA GLU 643 16.087 -1.331 -12.000 882 HB2 GLU 643 2HB GLU 643 14.597 1.017 -13.187 883 HB3 GLU 643 3HB GLU 643 15.918 0.199 -14.014 884 HG2 GLU 643 2HG GLU 643 13.675 -1.522 -12.984 885 HG3 GLU 643 3HG GLU 643 13.299 -0.440 -14.287 886 H GLU 644 H GLU 644 15.839 1.810 -10.275 887 HA GLU 644 HA GLU 644 18.472 2.674 -11.175 888 HB2 GLU 644 2HB GLU 644 16.476 3.666 -9.162 889 HB3 GLU 644 3HB GLU 644 17.991 4.476 -9.520 890 HG2 GLU 644 2HG GLU 644 16.113 3.791 -11.817 891 HG3 GLU 644 3HG GLU 644 15.649 5.004 -10.690 892 H TYR 645 H TYR 645 17.272 0.693 -8.655 893 HA TYR 645 HA TYR 645 19.851 0.759 -7.121 894 HB2 TYR 645 2HB TYR 645 17.039 0.597 -6.005 895 HB3 TYR 645 3HB TYR 645 18.531 0.425 -5.076 896 HD1 TYR 645 HD2 TYR 645 16.530 2.755 -7.150 897 HD2 TYR 645 HD1 TYR 645 19.801 2.363 -4.372 898 HE1 TYR 645 HE2 TYR 645 16.793 5.201 -7.162 899 HE2 TYR 645 HE1 TYR 645 19.986 4.843 -4.251 900 HH TYR 645 HH TYR 645 19.420 6.795 -5.229 901 HA PRO 646 HA PRO 646 18.838 -3.371 -9.017 902 HB2 PRO 646 2HB PRO 646 21.507 -4.203 -9.315 903 HB3 PRO 646 3HB PRO 646 20.526 -3.278 -10.493 904 HG2 PRO 646 2HG PRO 646 22.468 -2.175 -8.452 905 HG3 PRO 646 3HG PRO 646 22.334 -1.780 -10.199 906 HD2 PRO 646 2HD PRO 646 21.190 -0.152 -8.445 907 HD3 PRO 646 3HD PRO 646 20.256 -0.656 -9.874 908 H MET 647 H MET 647 20.821 -2.849 -6.061 909 HA MET 647 HA MET 647 20.727 -5.572 -5.203 910 HB2 MET 647 2HB MET 647 21.266 -4.792 -3.027 911 HB3 MET 647 3HB MET 647 22.119 -3.747 -4.157 912 HG2 MET 647 2HG MET 647 20.161 -2.162 -3.997 913 HG3 MET 647 3HG MET 647 19.514 -3.175 -2.702 914 HE1 MET 647 3HE MET 647 19.075 -1.354 -1.164 915 HE2 MET 647 1HE MET 647 20.210 -0.023 -0.812 916 HE3 MET 647 2HE MET 647 19.584 -0.270 -2.468 917 H MET 648 H MET 648 18.252 -3.028 -5.169 918 HA MET 648 HA MET 648 16.677 -4.181 -3.053 919 HB2 MET 648 2HB MET 648 16.005 -2.057 -5.114 920 HB3 MET 648 3HB MET 648 14.982 -2.460 -3.737 921 HG2 MET 648 2HG MET 648 17.831 -1.629 -3.247 922 HG3 MET 648 3HG MET 648 16.642 -0.433 -3.714 923 HE1 MET 648 3HE MET 648 15.828 -3.532 -1.134 924 HE2 MET 648 1HE MET 648 17.560 -3.126 -0.978 925 HE3 MET 648 2HE MET 648 16.425 -2.726 0.326 926 H ARG 649 H ARG 649 16.688 -4.604 -6.535 927 HA ARG 649 HA ARG 649 14.214 -6.072 -6.768 928 HB2 ARG 649 2HB ARG 649 15.379 -5.171 -8.679 929 HB3 ARG 649 3HB ARG 649 16.807 -6.149 -8.401 930 HG2 ARG 649 2HG ARG 649 14.114 -7.496 -8.809 931 HG3 ARG 649 3HG ARG 649 14.946 -6.802 -10.206 932 HD2 ARG 649 2HD ARG 649 16.863 -8.231 -9.896 933 HD3 ARG 649 3HD ARG 649 16.257 -8.804 -8.345 934 HE ARG 649 HE ARG 649 14.506 -10.038 -9.414 935 HH11 ARG 649 1HH1 ARG 649 16.807 -8.877 -11.858 936 HH12 ARG 649 2HH1 ARG 649 16.588 -10.350 -12.775 937 HH21 ARG 649 1HH2 ARG 649 14.166 -11.609 -10.663 938 HH22 ARG 649 2HH2 ARG 649 14.917 -11.752 -12.260 939 H ARG 650 H ARG 650 17.544 -7.256 -6.191 940 HA ARG 650 HA ARG 650 16.799 -9.998 -5.772 941 HB2 ARG 650 2HB ARG 650 19.084 -9.047 -6.333 942 HB3 ARG 650 3HB ARG 650 19.212 -8.530 -4.649 943 HG2 ARG 650 2HG ARG 650 18.810 -10.995 -4.002 944 HG3 ARG 650 3HG ARG 650 18.970 -11.368 -5.729 945 HD2 ARG 650 2HD ARG 650 21.203 -10.179 -5.684 946 HD3 ARG 650 3HD ARG 650 21.033 -10.015 -3.934 947 HE ARG 650 HE ARG 650 21.679 -12.437 -5.475 948 HH11 ARG 650 1HH1 ARG 650 20.527 -11.398 -2.279 949 HH12 ARG 650 2HH1 ARG 650 21.098 -12.882 -1.561 950 HH21 ARG 650 1HH2 ARG 650 22.039 -14.313 -4.546 951 HH22 ARG 650 2HH2 ARG 650 21.708 -14.558 -2.831 952 H ALA 651 H ALA 651 17.336 -7.377 -3.492 953 HA ALA 651 HA ALA 651 16.882 -8.599 -1.015 954 HB1 ALA 651 1HB ALA 651 16.335 -6.352 -0.238 955 HB2 ALA 651 2HB ALA 651 17.597 -6.190 -1.474 956 HB3 ALA 651 3HB ALA 651 15.892 -5.851 -1.876 957 H PHE 652 H PHE 652 14.478 -7.710 -3.469 958 HA PHE 652 HA PHE 652 12.210 -8.449 -1.727 959 HB2 PHE 652 2HB PHE 652 12.458 -7.450 -4.564 960 HB3 PHE 652 3HB PHE 652 10.926 -7.880 -3.798 961 HD1 PHE 652 1HD PHE 652 12.641 -6.257 -1.164 962 HD2 PHE 652 2HD PHE 652 10.837 -5.517 -5.006 963 HE1 PHE 652 1HE PHE 652 12.259 -3.898 -0.534 964 HE2 PHE 652 2HE PHE 652 10.418 -3.162 -4.350 965 HZ PHE 652 HZ PHE 652 11.097 -2.349 -2.122 966 H GLU 653 H GLU 653 13.948 -9.781 -4.599 967 HA GLU 653 HA GLU 653 12.330 -12.012 -5.198 968 HB2 GLU 653 2HB GLU 653 15.364 -11.768 -5.135 969 HB3 GLU 653 3HB GLU 653 14.544 -13.146 -5.801 970 HG2 GLU 653 2HG GLU 653 14.076 -10.324 -6.835 971 HG3 GLU 653 3HG GLU 653 15.388 -11.339 -7.399 972 H THR 654 H THR 654 14.688 -11.658 -2.606 973 HA THR 654 HA THR 654 14.672 -14.449 -1.808 974 HB THR 654 HB THR 654 16.613 -12.907 -1.883 975 HG1 THR 654 1HG THR 654 17.524 -13.764 -0.003 976 HG21 THR 654 1HG2 THR 654 15.438 -10.961 -0.768 977 HG22 THR 654 2HG2 THR 654 17.050 -11.340 -0.140 978 HG23 THR 654 3HG2 THR 654 15.594 -11.832 0.766 979 H VAL 655 H VAL 655 12.797 -11.811 -0.922 980 HA VAL 655 HA VAL 655 11.878 -13.019 1.666 981 HB VAL 655 HB VAL 655 12.553 -10.733 1.839 982 HG11 VAL 655 1HG1 VAL 655 11.539 -8.879 0.748 983 HG12 VAL 655 2HG1 VAL 655 12.351 -9.995 -0.353 984 HG13 VAL 655 3HG1 VAL 655 10.558 -9.970 -0.264 985 HG21 VAL 655 3HG2 VAL 655 10.646 -9.749 2.908 986 HG22 VAL 655 1HG2 VAL 655 9.527 -10.754 1.967 987 HG23 VAL 655 2HG2 VAL 655 10.582 -11.496 3.194 988 H ALA 656 H ALA 656 10.708 -11.973 -1.507 989 HA ALA 656 HA ALA 656 7.963 -12.313 -1.231 990 HB1 ALA 656 1HB ALA 656 7.966 -12.750 -3.668 991 HB2 ALA 656 2HB ALA 656 9.103 -11.447 -3.248 992 HB3 ALA 656 3HB ALA 656 9.713 -13.070 -3.619 993 H ILE 657 H ILE 657 10.320 -14.910 -1.895 994 HA ILE 657 HA ILE 657 8.445 -17.008 -2.233 995 HB ILE 657 HB ILE 657 10.404 -18.495 -1.956 996 HG12 ILE 657 2HG1 ILE 657 12.669 -17.603 -1.926 997 HG13 ILE 657 3HG1 ILE 657 12.091 -15.957 -1.697 998 HG21 ILE 657 1HG2 ILE 657 10.861 -16.135 -3.829 999 HG22 ILE 657 2HG2 ILE 657 11.475 -17.786 -4.016 1000 HG23 ILE 657 3HG2 ILE 657 9.739 -17.476 -4.128 1001 HD11 ILE 657 3HD1 ILE 657 11.607 -18.182 0.323 1002 HD12 ILE 657 1HD1 ILE 657 13.026 -17.112 0.346 1003 HD13 ILE 657 2HD1 ILE 657 11.420 -16.419 0.555 1004 H ASP 658 H ASP 658 9.193 -15.481 0.672 1005 HA ASP 658 HA ASP 658 7.995 -17.733 2.255 1006 HB2 ASP 658 2HB ASP 658 10.276 -17.333 2.949 1007 HB3 ASP 658 3HB ASP 658 10.002 -15.587 3.034 1008 H ARG 659 H ARG 659 7.997 -14.221 1.674 1009 HA ARG 659 HA ARG 659 5.989 -13.513 3.579 1010 HB2 ARG 659 2HB ARG 659 7.686 -12.037 2.519 1011 HB3 ARG 659 3HB ARG 659 6.796 -12.123 0.987 1012 HG2 ARG 659 2HG ARG 659 4.850 -11.038 2.059 1013 HG3 ARG 659 3HG ARG 659 5.685 -11.065 3.626 1014 HD2 ARG 659 2HD ARG 659 7.449 -9.574 2.674 1015 HD3 ARG 659 3HD ARG 659 6.608 -9.605 1.120 1016 HE ARG 659 HE ARG 659 4.956 -8.158 1.925 1017 HH11 ARG 659 1HH1 ARG 659 6.920 -9.184 4.738 1018 HH12 ARG 659 2HH1 ARG 659 5.902 -8.226 5.800 1019 HH21 ARG 659 1HH2 ARG 659 3.728 -7.056 3.515 1020 HH22 ARG 659 2HH2 ARG 659 4.271 -7.149 5.184 1021 H LEU 660 H LEU 660 5.653 -14.969 0.493 1022 HA LEU 660 HA LEU 660 3.099 -14.529 -0.414 1023 HB2 LEU 660 2HB LEU 660 4.864 -16.029 -1.343 1024 HB3 LEU 660 3HB LEU 660 4.585 -17.158 -0.021 1025 HG LEU 660 HG LEU 660 2.220 -17.499 -0.908 1026 HD11 LEU 660 1HD1 LEU 660 1.864 -16.901 -3.298 1027 HD12 LEU 660 2HD1 LEU 660 3.344 -15.928 -3.270 1028 HD13 LEU 660 3HD1 LEU 660 1.954 -15.463 -2.258 1029 HD21 LEU 660 3HD2 LEU 660 2.979 -18.970 -2.708 1030 HD22 LEU 660 1HD2 LEU 660 4.053 -19.046 -1.296 1031 HD23 LEU 660 2HD2 LEU 660 4.553 -18.132 -2.744 1032 H ASP 661 H ASP 661 3.867 -16.471 2.476 1033 HA ASP 661 HA ASP 661 1.720 -18.047 2.759 1034 HB2 ASP 661 2HB ASP 661 3.819 -17.701 4.249 1035 HB3 ASP 661 3HB ASP 661 2.802 -16.635 5.211 1036 H ARG 662 H ARG 662 -0.241 -18.158 3.772 1037 HA ARG 662 HA ARG 662 -2.059 -16.182 2.890 1038 HB2 ARG 662 2HB ARG 662 -2.337 -18.644 4.666 1039 HB3 ARG 662 3HB ARG 662 -3.736 -17.746 4.087 1040 HG2 ARG 662 2HG ARG 662 -3.300 -18.260 1.802 1041 HG3 ARG 662 3HG ARG 662 -1.706 -18.945 2.169 1042 HD2 ARG 662 2HD ARG 662 -2.703 -20.786 3.423 1043 HD3 ARG 662 3HD ARG 662 -4.298 -20.030 3.339 1044 HE ARG 662 HE ARG 662 -4.666 -21.053 1.364 1045 HH11 ARG 662 1HH1 ARG 662 -1.121 -21.055 1.678 1046 HH12 ARG 662 2HH1 ARG 662 -0.973 -21.763 0.083 1047 HH21 ARG 662 1HH2 ARG 662 -4.242 -21.887 -0.663 1048 HH22 ARG 662 2HH2 ARG 662 -2.591 -22.301 -1.084 1049 H ILE 663 H ILE 663 -0.426 -15.708 5.739 1050 HA ILE 663 HA ILE 663 -2.579 -15.671 7.586 1051 HB ILE 663 HB ILE 663 0.175 -14.525 7.922 1052 HG12 ILE 663 2HG1 ILE 663 0.592 -16.772 7.506 1053 HG13 ILE 663 3HG1 ILE 663 0.384 -16.691 9.255 1054 HG21 ILE 663 1HG2 ILE 663 -1.876 -15.330 10.038 1055 HG22 ILE 663 2HG2 ILE 663 -0.211 -14.812 10.355 1056 HG23 ILE 663 3HG2 ILE 663 -1.362 -13.669 9.683 1057 HD11 ILE 663 3HD1 ILE 663 -0.683 -18.673 8.491 1058 HD12 ILE 663 1HD1 ILE 663 -1.926 -17.528 9.044 1059 HD13 ILE 663 2HD1 ILE 663 -1.636 -17.772 7.304 1060 H GLY 664 H GLY 664 -4.081 -14.546 7.418 1061 HA2 GLY 664 2HA GLY 664 -5.636 -12.833 7.221 1062 HA3 GLY 664 3HA GLY 664 -4.417 -11.733 7.886 1063 H LYS 665 H LYS 665 -3.801 -13.547 4.910 1064 HA LYS 665 HA LYS 665 -3.765 -11.011 3.366 1065 HB2 LYS 665 2HB LYS 665 -1.517 -12.866 4.004 1066 HB3 LYS 665 3HB LYS 665 -1.428 -11.772 2.623 1067 HG2 LYS 665 2HG LYS 665 -1.403 -9.839 3.946 1068 HG3 LYS 665 3HG LYS 665 -1.998 -10.665 5.379 1069 HD2 LYS 665 2HD LYS 665 0.371 -10.071 5.572 1070 HD3 LYS 665 3HD LYS 665 0.109 -11.801 5.738 1071 HE2 LYS 665 2HE LYS 665 0.688 -10.986 2.951 1072 HE3 LYS 665 3HE LYS 665 1.968 -10.538 4.091 1073 HZ1 LYS 665 3HZ LYS 665 2.345 -12.758 3.238 1074 HZ2 LYS 665 1HZ LYS 665 0.893 -13.279 3.660 1075 HZ3 LYS 665 2HZ LYS 665 1.985 -12.885 4.838 1076 H LYS 666 H LYS 666 -3.830 -11.162 1.081 1077 HA LYS 666 HA LYS 666 -4.874 -13.565 -0.167 1078 HB2 LYS 666 2HB LYS 666 -4.887 -10.891 -0.774 1079 HB3 LYS 666 3HB LYS 666 -3.650 -11.432 -1.881 1080 HG2 LYS 666 2HG LYS 666 -6.525 -12.457 -1.709 1081 HG3 LYS 666 3HG LYS 666 -5.931 -11.234 -2.818 1082 HD2 LYS 666 2HD LYS 666 -4.412 -12.954 -3.856 1083 HD3 LYS 666 3HD LYS 666 -5.225 -14.182 -2.850 1084 HE2 LYS 666 2HE LYS 666 -7.408 -13.528 -3.831 1085 HE3 LYS 666 3HE LYS 666 -6.594 -12.354 -4.869 1086 HZ1 LYS 666 3HZ LYS 666 -7.037 -14.476 -6.001 1087 HZ2 LYS 666 1HZ LYS 666 -6.112 -15.291 -4.926 1088 HZ3 LYS 666 2HZ LYS 666 -5.423 -14.215 -5.952 1089 H ASN 667 H ASN 667 -3.831 -14.808 -1.860 1090 HA ASN 667 HA ASN 667 -0.857 -14.905 -1.782 1091 HB2 ASN 667 2HB ASN 667 -0.975 -17.328 -1.664 1092 HB3 ASN 667 3HB ASN 667 -1.733 -16.600 -0.267 1093 HD21 ASN 667 HD21 ASN 667 -2.064 -19.302 -1.460 1094 HD22 ASN 667 HD22 ASN 667 -3.823 -19.436 -1.691 1095 H SER 668 H SER 668 -0.055 -16.510 -3.535 1096 HA SER 668 HA SER 668 -1.434 -16.219 -6.133 1097 HB2 SER 668 2HB SER 668 1.364 -15.131 -5.634 1098 HB3 SER 668 3HB SER 668 0.503 -15.152 -7.185 1099 HG SER 668 HG SER 668 -0.650 -13.484 -6.612 1100 H ILE 669 H ILE 669 0.318 -16.981 -7.871 1101 HA ILE 669 HA ILE 669 1.004 -19.729 -7.474 1102 HB ILE 669 HB ILE 669 1.910 -19.626 -9.697 1103 HG12 ILE 669 2HG1 ILE 669 1.734 -16.583 -9.530 1104 HG13 ILE 669 3HG1 ILE 669 3.212 -17.548 -9.600 1105 HG21 ILE 669 1HG2 ILE 669 -0.531 -17.796 -9.601 1106 HG22 ILE 669 2HG2 ILE 669 -0.095 -18.961 -10.873 1107 HG23 ILE 669 3HG2 ILE 669 -0.593 -19.546 -9.285 1108 HD11 ILE 669 3HD1 ILE 669 2.851 -16.694 -11.788 1109 HD12 ILE 669 1HD1 ILE 669 2.465 -18.422 -11.851 1110 HD13 ILE 669 2HD1 ILE 669 1.160 -17.210 -11.810 1111 H LEU 670 H LEU 670 3.077 -20.749 -7.502 1112 HA LEU 670 HA LEU 670 5.100 -19.202 -5.961 1113 HB2 LEU 670 2HB LEU 670 5.588 -21.078 -4.747 1114 HB3 LEU 670 3HB LEU 670 3.844 -21.136 -4.914 1115 HG LEU 670 HG LEU 670 5.893 -22.819 -6.440 1116 HD11 LEU 670 1HD1 LEU 670 5.010 -24.661 -5.133 1117 HD12 LEU 670 2HD1 LEU 670 3.819 -23.600 -4.358 1118 HD13 LEU 670 3HD1 LEU 670 5.555 -23.385 -4.040 1119 HD21 LEU 670 3HD2 LEU 670 3.968 -22.522 -7.921 1120 HD22 LEU 670 1HD2 LEU 670 2.845 -22.903 -6.589 1121 HD23 LEU 670 2HD2 LEU 670 3.936 -24.143 -7.238 1122 H LEU 671 H LEU 671 7.394 -19.979 -6.038 1123 HA LEU 671 HA LEU 671 8.281 -19.787 -8.794 1124 HB2 LEU 671 2HB LEU 671 9.201 -18.388 -7.003 1125 HB3 LEU 671 3HB LEU 671 9.825 -19.812 -6.192 1126 HG LEU 671 HG LEU 671 11.384 -20.215 -8.085 1127 HD11 LEU 671 1HD1 LEU 671 10.312 -17.563 -9.152 1128 HD12 LEU 671 2HD1 LEU 671 10.142 -19.142 -9.950 1129 HD13 LEU 671 3HD1 LEU 671 11.740 -18.422 -9.756 1130 HD21 LEU 671 3HD2 LEU 671 12.101 -18.897 -6.150 1131 HD22 LEU 671 1HD2 LEU 671 11.505 -17.407 -6.922 1132 HD23 LEU 671 2HD2 LEU 671 12.862 -18.311 -7.635 1133 H HIS 672 H HIS 672 9.482 -21.031 -9.951 1134 HA HIS 672 HA HIS 672 9.699 -23.639 -10.363 1135 HB2 HIS 672 2HB HIS 672 10.581 -21.772 -11.716 1136 HB3 HIS 672 3HB HIS 672 11.878 -21.518 -10.551 1137 HD1 HIS 672 1HD HIS 672 10.783 -24.793 -12.346 1138 HD2 HIS 672 2HD HIS 672 14.047 -22.201 -11.761 1139 HE1 HIS 672 1HE HIS 672 12.767 -25.842 -13.585 Start of MODEL 3 1 H ASN 534 H ASN 534 3.985 12.290 1.708 2 HA ASN 534 HA ASN 534 2.729 11.221 4.194 3 HB2 ASN 534 2HB ASN 534 2.582 9.089 3.418 4 HB3 ASN 534 3HB ASN 534 2.175 9.968 1.954 5 HD21 ASN 534 HD21 ASN 534 4.563 10.529 0.679 6 HD22 ASN 534 HD22 ASN 534 5.460 9.026 0.532 7 H CYS 535 H CYS 535 4.135 10.279 5.723 8 HA CYS 535 HA CYS 535 6.906 11.154 5.672 9 HB2 CYS 535 2HB CYS 535 5.222 9.466 7.524 10 HB3 CYS 535 3HB CYS 535 6.986 9.370 7.625 11 HG CYS 535 HG CYS 535 5.078 12.067 7.759 12 H ARG 536 H ARG 536 8.774 9.934 5.413 13 HA ARG 536 HA ARG 536 8.740 7.860 3.368 14 HB2 ARG 536 2HB ARG 536 10.957 8.760 5.278 15 HB3 ARG 536 3HB ARG 536 11.150 7.651 3.930 16 HG2 ARG 536 2HG ARG 536 11.951 9.698 3.189 17 HG3 ARG 536 3HG ARG 536 10.433 9.475 2.350 18 HD2 ARG 536 2HD ARG 536 10.385 11.074 4.912 19 HD3 ARG 536 3HD ARG 536 11.261 11.784 3.579 20 HE ARG 536 HE ARG 536 8.449 11.807 3.869 21 HH11 ARG 536 1HH1 ARG 536 10.944 12.118 1.469 22 HH12 ARG 536 2HH1 ARG 536 9.782 12.329 0.178 23 HH21 ARG 536 1HH2 ARG 536 7.037 12.046 2.167 24 HH22 ARG 536 2HH2 ARG 536 7.720 12.609 0.628 25 H LYS 537 H LYS 537 9.173 7.866 6.897 26 HA LYS 537 HA LYS 537 9.255 5.127 7.464 27 HB2 LYS 537 2HB LYS 537 9.560 6.958 9.090 28 HB3 LYS 537 3HB LYS 537 7.869 7.424 8.907 29 HG2 LYS 537 2HG LYS 537 8.167 6.254 10.984 30 HG3 LYS 537 3HG LYS 537 7.138 5.301 9.929 31 HD2 LYS 537 2HD LYS 537 9.348 4.020 9.301 32 HD3 LYS 537 3HD LYS 537 10.029 4.837 10.717 33 HE2 LYS 537 2HE LYS 537 7.963 3.891 11.991 34 HE3 LYS 537 3HE LYS 537 7.699 2.877 10.569 35 HZ1 LYS 537 3HZ LYS 537 10.033 2.892 12.371 36 HZ2 LYS 537 1HZ LYS 537 10.063 2.106 10.909 37 HZ3 LYS 537 2HZ LYS 537 9.007 1.647 12.102 38 H LEU 538 H LEU 538 6.470 6.880 6.189 39 HA LEU 538 HA LEU 538 4.531 5.003 7.306 40 HB2 LEU 538 2HB LEU 538 4.253 7.573 6.828 41 HB3 LEU 538 3HB LEU 538 3.959 7.071 5.167 42 HG LEU 538 HG LEU 538 2.115 5.535 6.087 43 HD11 LEU 538 1HD1 LEU 538 2.736 5.404 8.447 44 HD12 LEU 538 2HD1 LEU 538 1.222 6.318 8.355 45 HD13 LEU 538 3HD1 LEU 538 2.750 7.168 8.587 46 HD21 LEU 538 3HD2 LEU 538 0.521 7.404 6.417 47 HD22 LEU 538 1HD2 LEU 538 1.573 7.655 5.017 48 HD23 LEU 538 2HD2 LEU 538 1.887 8.533 6.526 49 H VAL 539 H VAL 539 5.861 5.700 4.037 50 HA VAL 539 HA VAL 539 4.694 3.274 2.854 51 HB VAL 539 HB VAL 539 5.788 5.452 1.724 52 HG11 VAL 539 1HG1 VAL 539 7.935 3.317 1.439 53 HG12 VAL 539 2HG1 VAL 539 7.843 4.856 0.554 54 HG13 VAL 539 3HG1 VAL 539 8.112 4.873 2.301 55 HG21 VAL 539 3HG2 VAL 539 5.751 4.157 -0.373 56 HG22 VAL 539 1HG2 VAL 539 5.637 2.652 0.565 57 HG23 VAL 539 2HG2 VAL 539 4.334 3.866 0.647 58 H ALA 540 H ALA 540 7.879 4.032 4.335 59 HA ALA 540 HA ALA 540 8.927 1.444 3.990 60 HB1 ALA 540 1HB ALA 540 10.212 3.574 4.316 61 HB2 ALA 540 2HB ALA 540 9.750 3.513 6.036 62 HB3 ALA 540 3HB ALA 540 10.760 2.236 5.344 63 H SER 541 H SER 541 6.301 1.770 5.906 64 HA SER 541 HA SER 541 7.330 0.568 8.375 65 HB2 SER 541 2HB SER 541 4.787 1.770 7.484 66 HB3 SER 541 3HB SER 541 4.714 0.561 8.764 67 HG SER 541 HG SER 541 6.189 2.979 8.684 68 H MET 542 H MET 542 6.308 -0.492 5.336 69 HA MET 542 HA MET 542 5.257 -3.062 6.092 70 HB2 MET 542 2HB MET 542 6.022 -1.651 3.589 71 HB3 MET 542 3HB MET 542 6.249 -3.388 3.560 72 HG2 MET 542 2HG MET 542 3.858 -3.661 4.289 73 HG3 MET 542 3HG MET 542 3.694 -1.907 4.333 74 HE1 MET 542 3HE MET 542 3.404 -4.635 0.675 75 HE2 MET 542 1HE MET 542 4.657 -4.928 1.902 76 HE3 MET 542 2HE MET 542 2.946 -4.986 2.353 77 HA PRO 543 HA PRO 543 9.135 -5.293 6.859 78 HB2 PRO 543 2HB PRO 543 7.798 -7.532 5.397 79 HB3 PRO 543 3HB PRO 543 8.600 -7.544 6.990 80 HG2 PRO 543 2HG PRO 543 5.869 -7.530 6.634 81 HG3 PRO 543 3HG PRO 543 6.669 -6.785 8.058 82 HD2 PRO 543 2HD PRO 543 5.388 -5.471 5.718 83 HD3 PRO 543 3HD PRO 543 5.666 -4.858 7.367 84 H LEU 544 H LEU 544 7.622 -5.389 3.570 85 HA LEU 544 HA LEU 544 10.005 -6.256 2.365 86 HB2 LEU 544 2HB LEU 544 8.851 -6.507 0.548 87 HB3 LEU 544 3HB LEU 544 7.472 -6.139 1.552 88 HG LEU 544 HG LEU 544 8.958 -4.185 -0.264 89 HD11 LEU 544 1HD1 LEU 544 6.922 -4.286 -1.650 90 HD12 LEU 544 2HD1 LEU 544 6.223 -5.494 -0.550 91 HD13 LEU 544 3HD1 LEU 544 7.670 -5.886 -1.500 92 HD21 LEU 544 3HD2 LEU 544 6.370 -3.809 1.261 93 HD22 LEU 544 1HD2 LEU 544 7.133 -2.633 0.176 94 HD23 LEU 544 2HD2 LEU 544 7.915 -3.080 1.701 95 H PHE 545 H PHE 545 9.587 -3.223 3.686 96 HA PHE 545 HA PHE 545 11.854 -2.070 2.126 97 HB2 PHE 545 2HB PHE 545 9.893 -0.618 3.902 98 HB3 PHE 545 3HB PHE 545 11.138 0.112 2.914 99 HD1 PHE 545 2HD PHE 545 10.904 -0.456 0.232 100 HD2 PHE 545 1HD PHE 545 7.755 -0.441 3.158 101 HE1 PHE 545 2HE PHE 545 9.254 0.180 -1.534 102 HE2 PHE 545 1HE PHE 545 6.118 0.205 1.410 103 HZ PHE 545 HZ PHE 545 6.876 0.655 -0.883 104 H ALA 546 H ALA 546 11.720 -3.985 4.627 105 HA ALA 546 HA ALA 546 12.451 -2.795 7.077 106 HB1 ALA 546 1HB ALA 546 11.945 -5.153 6.771 107 HB2 ALA 546 2HB ALA 546 13.321 -5.318 5.636 108 HB3 ALA 546 3HB ALA 546 13.617 -5.019 7.361 109 H ASN 547 H ASN 547 14.332 -3.384 4.242 110 HA ASN 547 HA ASN 547 16.907 -2.553 5.494 111 HB2 ASN 547 2HB ASN 547 15.894 -4.947 4.023 112 HB3 ASN 547 3HB ASN 547 17.371 -4.350 3.411 113 HD21 ASN 547 HD21 ASN 547 15.887 -6.124 5.910 114 HD22 ASN 547 HD22 ASN 547 17.316 -6.276 6.919 115 H ALA 548 H ALA 548 14.639 -1.273 3.718 116 HA ALA 548 HA ALA 548 15.749 -0.536 1.233 117 HB1 ALA 548 1HB ALA 548 13.375 -0.321 1.771 118 HB2 ALA 548 2HB ALA 548 13.736 0.932 2.980 119 HB3 ALA 548 3HB ALA 548 14.017 1.257 1.267 120 H ASP 549 H ASP 549 16.861 1.247 0.446 121 HA ASP 549 HA ASP 549 18.373 2.942 2.300 122 HB2 ASP 549 2HB ASP 549 19.429 2.069 0.297 123 HB3 ASP 549 3HB ASP 549 18.249 2.858 -0.736 124 HA PRO 550 HA PRO 550 15.168 6.001 2.597 125 HB2 PRO 550 2HB PRO 550 16.613 8.270 3.220 126 HB3 PRO 550 3HB PRO 550 16.274 6.926 4.353 127 HG2 PRO 550 2HG PRO 550 18.752 7.344 2.650 128 HG3 PRO 550 3HG PRO 550 18.659 6.989 4.413 129 HD2 PRO 550 2HD PRO 550 19.109 5.021 2.660 130 HD3 PRO 550 3HD PRO 550 17.965 4.752 4.008 131 H ASN 551 H ASN 551 17.818 6.533 0.262 132 HA ASN 551 HA ASN 551 16.481 8.773 -1.102 133 HB2 ASN 551 2HB ASN 551 18.787 6.978 -2.018 134 HB3 ASN 551 3HB ASN 551 18.303 8.510 -2.737 135 HD21 ASN 551 HD21 ASN 551 19.775 6.984 0.077 136 HD22 ASN 551 HD22 ASN 551 20.541 8.460 0.694 137 H PHE 552 H PHE 552 16.843 5.276 -1.538 138 HA PHE 552 HA PHE 552 15.487 4.956 -4.057 139 HB2 PHE 552 2HB PHE 552 16.756 3.106 -3.412 140 HB3 PHE 552 3HB PHE 552 16.330 3.264 -1.732 141 HD1 PHE 552 1HD PHE 552 14.826 2.221 -5.004 142 HD2 PHE 552 2HD PHE 552 14.810 1.861 -0.724 143 HE1 PHE 552 1HE PHE 552 13.057 0.478 -5.152 144 HE2 PHE 552 2HE PHE 552 13.134 0.027 -0.876 145 HZ PHE 552 HZ PHE 552 12.251 -0.660 -3.096 146 H VAL 553 H VAL 553 14.327 4.529 -0.699 147 HA VAL 553 HA VAL 553 11.620 4.023 -1.427 148 HB VAL 553 HB VAL 553 12.833 3.410 0.664 149 HG11 VAL 553 1HG1 VAL 553 12.108 6.195 1.651 150 HG12 VAL 553 2HG1 VAL 553 12.910 4.886 2.552 151 HG13 VAL 553 3HG1 VAL 553 13.723 5.642 1.175 152 HG21 VAL 553 3HG2 VAL 553 10.370 3.177 0.433 153 HG22 VAL 553 1HG2 VAL 553 10.905 3.495 2.102 154 HG23 VAL 553 2HG2 VAL 553 10.208 4.811 1.131 155 H THR 554 H THR 554 13.310 7.015 -0.930 156 HA THR 554 HA THR 554 10.924 8.726 -0.891 157 HB THR 554 HB THR 554 13.879 9.392 -1.196 158 HG1 THR 554 1HG THR 554 13.631 8.677 0.756 159 HG21 THR 554 1HG2 THR 554 13.016 11.663 -0.381 160 HG22 THR 554 2HG2 THR 554 11.402 11.075 -0.903 161 HG23 THR 554 3HG2 THR 554 12.725 11.231 -2.077 162 H ALA 555 H ALA 555 13.414 7.906 -3.373 163 HA ALA 555 HA ALA 555 12.396 9.702 -5.344 164 HB1 ALA 555 1HB ALA 555 13.710 8.228 -6.920 165 HB2 ALA 555 2HB ALA 555 14.624 8.802 -5.516 166 HB3 ALA 555 3HB ALA 555 14.027 7.138 -5.546 167 H MET 556 H MET 556 11.160 6.722 -4.205 168 HA MET 556 HA MET 556 9.426 5.839 -6.282 169 HB2 MET 556 2HB MET 556 10.260 5.021 -3.826 170 HB3 MET 556 3HB MET 556 8.711 5.670 -3.351 171 HG2 MET 556 2HG MET 556 7.577 4.123 -4.882 172 HG3 MET 556 3HG MET 556 9.109 3.546 -5.495 173 HE1 MET 556 3HE MET 556 10.636 1.613 -4.214 174 HE2 MET 556 1HE MET 556 11.084 3.153 -3.484 175 HE3 MET 556 2HE MET 556 10.719 1.774 -2.434 176 H LEU 557 H LEU 557 9.102 8.542 -4.048 177 HA LEU 557 HA LEU 557 6.159 8.598 -4.120 178 HB2 LEU 557 2HB LEU 557 8.112 10.475 -2.732 179 HB3 LEU 557 3HB LEU 557 6.428 10.188 -2.313 180 HG LEU 557 HG LEU 557 8.742 8.221 -1.977 181 HD11 LEU 557 1HD1 LEU 557 7.196 9.846 0.038 182 HD12 LEU 557 2HD1 LEU 557 8.901 9.977 -0.414 183 HD13 LEU 557 3HD1 LEU 557 8.331 8.513 0.421 184 HD21 LEU 557 3HD2 LEU 557 7.109 6.828 -0.734 185 HD22 LEU 557 1HD2 LEU 557 6.630 7.014 -2.420 186 HD23 LEU 557 2HD2 LEU 557 5.801 7.960 -1.166 187 H THR 558 H THR 558 8.515 9.970 -6.047 188 HA THR 558 HA THR 558 7.962 12.668 -5.857 189 HB THR 558 HB THR 558 9.404 13.014 -7.789 190 HG1 THR 558 1HG THR 558 10.328 11.166 -8.743 191 HG21 THR 558 1HG2 THR 558 11.391 11.830 -6.911 192 HG22 THR 558 2HG2 THR 558 10.344 10.775 -5.949 193 HG23 THR 558 3HG2 THR 558 10.412 12.506 -5.599 194 H LYS 559 H LYS 559 6.030 10.572 -7.808 195 HA LYS 559 HA LYS 559 4.573 13.020 -8.728 196 HB2 LYS 559 2HB LYS 559 3.989 12.055 -10.851 197 HB3 LYS 559 3HB LYS 559 5.718 12.161 -10.635 198 HG2 LYS 559 2HG LYS 559 5.546 10.153 -11.642 199 HG3 LYS 559 3HG LYS 559 5.632 9.635 -9.978 200 HD2 LYS 559 2HD LYS 559 2.936 9.996 -11.340 201 HD3 LYS 559 3HD LYS 559 3.951 8.619 -11.716 202 HE2 LYS 559 2HE LYS 559 3.986 8.053 -9.214 203 HE3 LYS 559 3HE LYS 559 2.731 9.276 -9.021 204 HZ1 LYS 559 3HZ LYS 559 2.566 6.778 -10.550 205 HZ2 LYS 559 1HZ LYS 559 1.478 7.980 -10.805 206 HZ3 LYS 559 2HZ LYS 559 1.606 7.241 -9.329 207 H LEU 560 H LEU 560 4.251 11.178 -6.439 208 HA LEU 560 HA LEU 560 2.424 9.179 -6.666 209 HB2 LEU 560 2HB LEU 560 3.952 9.603 -4.879 210 HB3 LEU 560 3HB LEU 560 3.035 11.020 -4.352 211 HG LEU 560 HG LEU 560 1.250 9.587 -3.505 212 HD11 LEU 560 1HD1 LEU 560 2.891 7.424 -4.857 213 HD12 LEU 560 2HD1 LEU 560 1.165 7.720 -5.076 214 HD13 LEU 560 3HD1 LEU 560 1.724 7.041 -3.559 215 HD21 LEU 560 3HD2 LEU 560 2.512 8.542 -1.764 216 HD22 LEU 560 1HD2 LEU 560 3.491 9.915 -2.260 217 HD23 LEU 560 2HD2 LEU 560 3.912 8.271 -2.832 218 H LYS 561 H LYS 561 0.329 8.790 -6.053 219 HA LYS 561 HA LYS 561 -1.605 10.991 -6.489 220 HB2 LYS 561 2HB LYS 561 -1.162 8.817 -8.116 221 HB3 LYS 561 3HB LYS 561 -2.364 8.146 -7.024 222 HG2 LYS 561 2HG LYS 561 -3.728 9.041 -8.630 223 HG3 LYS 561 3HG LYS 561 -3.672 10.402 -7.548 224 HD2 LYS 561 2HD LYS 561 -2.087 9.998 -10.123 225 HD3 LYS 561 3HD LYS 561 -3.391 11.145 -9.831 226 HE2 LYS 561 2HE LYS 561 -1.824 12.216 -8.055 227 HE3 LYS 561 3HE LYS 561 -0.522 11.241 -8.755 228 HZ1 LYS 561 3HZ LYS 561 -1.156 12.298 -10.928 229 HZ2 LYS 561 1HZ LYS 561 -0.554 13.350 -9.851 230 HZ3 LYS 561 2HZ LYS 561 -2.192 13.277 -10.142 231 H PHE 562 H PHE 562 -3.449 11.136 -5.451 232 HA PHE 562 HA PHE 562 -3.626 9.834 -2.769 233 HB2 PHE 562 2HB PHE 562 -2.499 11.813 -2.402 234 HB3 PHE 562 3HB PHE 562 -3.204 12.627 -3.778 235 HD1 PHE 562 2HD PHE 562 -4.516 11.145 -0.568 236 HD2 PHE 562 1HD PHE 562 -4.499 14.437 -3.337 237 HE1 PHE 562 2HE PHE 562 -6.164 12.310 0.824 238 HE2 PHE 562 1HE PHE 562 -6.069 15.683 -1.853 239 HZ PHE 562 HZ PHE 562 -6.921 14.619 0.218 240 H GLU 563 H GLU 563 -5.667 9.526 -1.908 241 HA GLU 563 HA GLU 563 -8.046 10.636 -3.263 242 HB2 GLU 563 2HB GLU 563 -7.475 8.503 -4.434 243 HB3 GLU 563 3HB GLU 563 -7.677 7.630 -2.911 244 HG2 GLU 563 2HG GLU 563 -10.031 8.068 -2.870 245 HG3 GLU 563 3HG GLU 563 -9.891 9.335 -4.094 246 H VAL 564 H VAL 564 -9.953 10.591 -1.979 247 HA VAL 564 HA VAL 564 -9.583 9.913 0.914 248 HB VAL 564 HB VAL 564 -11.165 12.212 -0.275 249 HG11 VAL 564 1HG1 VAL 564 -12.154 11.426 1.847 250 HG12 VAL 564 2HG1 VAL 564 -10.579 11.677 2.642 251 HG13 VAL 564 3HG1 VAL 564 -11.486 13.029 1.893 252 HG21 VAL 564 3HG2 VAL 564 -9.423 13.623 0.855 253 HG22 VAL 564 1HG2 VAL 564 -8.495 12.134 1.168 254 HG23 VAL 564 2HG2 VAL 564 -8.799 12.676 -0.497 255 H PHE 565 H PHE 565 -11.267 9.116 2.039 256 HA PHE 565 HA PHE 565 -13.851 8.634 0.661 257 HB2 PHE 565 2HB PHE 565 -12.361 6.582 2.327 258 HB3 PHE 565 3HB PHE 565 -14.060 6.466 1.889 259 HD1 PHE 565 2HD PHE 565 -10.610 6.632 0.443 260 HD2 PHE 565 1HD PHE 565 -14.748 5.640 -0.260 261 HE1 PHE 565 2HE PHE 565 -10.001 5.591 -1.721 262 HE2 PHE 565 1HE PHE 565 -14.107 4.527 -2.392 263 HZ PHE 565 HZ PHE 565 -11.724 4.451 -3.087 264 H GLN 566 H GLN 566 -15.616 8.950 1.862 265 HA GLN 566 HA GLN 566 -15.338 10.373 4.422 266 HB2 GLN 566 2HB GLN 566 -17.736 9.752 2.677 267 HB3 GLN 566 3HB GLN 566 -17.752 10.845 4.061 268 HG2 GLN 566 2HG GLN 566 -16.698 11.177 1.281 269 HG3 GLN 566 3HG GLN 566 -17.739 12.249 2.206 270 HE21 GLN 566 HE21 GLN 566 -14.804 12.215 0.834 271 HE22 GLN 566 HE22 GLN 566 -13.887 13.016 2.095 272 HA PRO 567 HA PRO 567 -16.368 7.175 7.265 273 HB2 PRO 567 2HB PRO 567 -18.818 8.716 8.086 274 HB3 PRO 567 3HB PRO 567 -17.532 8.022 9.124 275 HG2 PRO 567 2HG PRO 567 -17.699 10.691 8.545 276 HG3 PRO 567 3HG PRO 567 -16.129 9.854 8.668 277 HD2 PRO 567 2HD PRO 567 -17.636 10.691 6.230 278 HD3 PRO 567 3HD PRO 567 -15.877 10.661 6.506 279 H GLY 568 H GLY 568 -17.338 5.186 6.898 280 HA2 GLY 568 2HA GLY 568 -19.119 3.675 6.830 281 HA3 GLY 568 3HA GLY 568 -20.246 4.980 6.468 282 H ASP 569 H ASP 569 -17.642 5.481 4.413 283 HA ASP 569 HA ASP 569 -19.133 4.289 2.285 284 HB2 ASP 569 2HB ASP 569 -18.102 6.606 2.217 285 HB3 ASP 569 3HB ASP 569 -16.536 5.817 1.998 286 H TYR 570 H TYR 570 -18.717 2.510 1.196 287 HA TYR 570 HA TYR 570 -16.660 0.619 2.029 288 HB2 TYR 570 2HB TYR 570 -18.741 0.631 -0.171 289 HB3 TYR 570 3HB TYR 570 -17.543 -0.644 -0.013 290 HD1 TYR 570 HD1 TYR 570 -20.465 0.960 1.696 291 HD2 TYR 570 HD2 TYR 570 -17.625 -2.286 1.718 292 HE1 TYR 570 HE1 TYR 570 -21.773 -0.179 3.481 293 HE2 TYR 570 HE2 TYR 570 -18.950 -3.428 3.492 294 HH TYR 570 HH TYR 570 -21.914 -1.982 4.884 295 H ILE 571 H ILE 571 -14.604 1.046 1.596 296 HA ILE 571 HA ILE 571 -13.839 2.745 -0.632 297 HB ILE 571 HB ILE 571 -11.681 2.769 0.261 298 HG12 ILE 571 2HG1 ILE 571 -12.518 0.359 1.931 299 HG13 ILE 571 3HG1 ILE 571 -11.281 0.436 0.652 300 HG21 ILE 571 1HG2 ILE 571 -13.597 3.930 1.557 301 HG22 ILE 571 2HG2 ILE 571 -13.412 2.640 2.749 302 HG23 ILE 571 3HG2 ILE 571 -12.045 3.713 2.387 303 HD11 ILE 571 3HD1 ILE 571 -10.136 0.424 2.673 304 HD12 ILE 571 1HD1 ILE 571 -10.077 2.088 2.002 305 HD13 ILE 571 2HD1 ILE 571 -11.159 1.705 3.372 306 H ILE 572 H ILE 572 -13.903 -0.656 -0.058 307 HA ILE 572 HA ILE 572 -11.961 -1.300 -2.146 308 HB ILE 572 HB ILE 572 -13.457 -2.930 -0.077 309 HG12 ILE 572 2HG1 ILE 572 -11.817 -1.723 0.949 310 HG13 ILE 572 3HG1 ILE 572 -11.323 -3.406 0.848 311 HG21 ILE 572 1HG2 ILE 572 -13.190 -4.465 -1.960 312 HG22 ILE 572 2HG2 ILE 572 -11.476 -3.995 -2.138 313 HG23 ILE 572 3HG2 ILE 572 -12.043 -4.872 -0.704 314 HD11 ILE 572 3HD1 ILE 572 -10.203 -1.142 -0.826 315 HD12 ILE 572 1HD1 ILE 572 -9.427 -1.962 0.545 316 HD13 ILE 572 2HD1 ILE 572 -9.747 -2.862 -0.946 317 H ARG 573 H ARG 573 -12.355 -2.070 -4.040 318 HA ARG 573 HA ARG 573 -14.605 -3.963 -4.257 319 HB2 ARG 573 2HB ARG 573 -14.642 -3.768 -6.719 320 HB3 ARG 573 3HB ARG 573 -15.346 -2.437 -5.820 321 HG2 ARG 573 2HG ARG 573 -14.220 -1.563 -7.695 322 HG3 ARG 573 3HG ARG 573 -13.340 -1.050 -6.262 323 HD2 ARG 573 2HD ARG 573 -11.522 -2.513 -6.709 324 HD3 ARG 573 3HD ARG 573 -12.447 -3.496 -7.846 325 HE ARG 573 HE ARG 573 -10.991 -1.042 -8.370 326 HH11 ARG 573 1HH1 ARG 573 -13.543 -3.108 -9.666 327 HH12 ARG 573 2HH1 ARG 573 -13.730 -2.056 -11.065 328 HH21 ARG 573 1HH2 ARG 573 -11.208 0.085 -10.231 329 HH22 ARG 573 2HH2 ARG 573 -12.303 -0.451 -11.493 330 H GLU 574 H GLU 574 -14.088 -5.942 -4.888 331 HA GLU 574 HA GLU 574 -11.254 -6.613 -5.542 332 HB2 GLU 574 2HB GLU 574 -12.068 -7.645 -3.472 333 HB3 GLU 574 3HB GLU 574 -13.456 -8.315 -4.317 334 HG2 GLU 574 2HG GLU 574 -11.582 -9.913 -3.829 335 HG3 GLU 574 3HG GLU 574 -12.145 -9.850 -5.500 336 H GLY 575 H GLY 575 -11.011 -8.366 -7.261 337 HA2 GLY 575 2HA GLY 575 -12.926 -9.546 -8.689 338 HA3 GLY 575 3HA GLY 575 -13.030 -7.942 -9.404 339 H THR 576 H THR 576 -9.801 -8.003 -8.958 340 HA THR 576 HA THR 576 -9.193 -9.654 -11.342 341 HB THR 576 HB THR 576 -10.117 -7.521 -12.175 342 HG1 THR 576 1HG THR 576 -8.458 -7.270 -13.679 343 HG21 THR 576 1HG2 THR 576 -8.770 -5.506 -12.195 344 HG22 THR 576 2HG2 THR 576 -7.489 -6.288 -11.242 345 HG23 THR 576 3HG2 THR 576 -9.068 -5.955 -10.512 346 H ILE 577 H ILE 577 -7.094 -9.686 -12.038 347 HA ILE 577 HA ILE 577 -4.950 -9.614 -10.032 348 HB ILE 577 HB ILE 577 -5.458 -10.800 -12.754 349 HG12 ILE 577 2HG1 ILE 577 -4.094 -12.070 -10.399 350 HG13 ILE 577 3HG1 ILE 577 -5.800 -11.759 -10.256 351 HG21 ILE 577 1HG2 ILE 577 -3.159 -11.612 -12.945 352 HG22 ILE 577 2HG2 ILE 577 -3.213 -9.864 -13.095 353 HG23 ILE 577 3HG2 ILE 577 -2.654 -10.609 -11.576 354 HD11 ILE 577 3HD1 ILE 577 -6.281 -13.062 -12.243 355 HD12 ILE 577 1HD1 ILE 577 -4.546 -13.413 -12.466 356 HD13 ILE 577 2HD1 ILE 577 -5.397 -14.026 -11.032 357 H GLY 578 H GLY 578 -2.957 -8.512 -10.464 358 HA2 GLY 578 2HA GLY 578 -1.535 -6.908 -11.472 359 HA3 GLY 578 3HA GLY 578 -2.836 -6.399 -12.559 360 H LYS 579 H LYS 579 -3.032 -6.850 -9.059 361 HA LYS 579 HA LYS 579 -4.331 -4.232 -8.813 362 HB2 LYS 579 2HB LYS 579 -5.320 -6.377 -8.110 363 HB3 LYS 579 3HB LYS 579 -4.075 -6.568 -6.883 364 HG2 LYS 579 2HG LYS 579 -4.930 -4.684 -5.624 365 HG3 LYS 579 3HG LYS 579 -5.900 -4.134 -7.003 366 HD2 LYS 579 2HD LYS 579 -7.282 -6.214 -6.870 367 HD3 LYS 579 3HD LYS 579 -6.392 -6.708 -5.416 368 HE2 LYS 579 2HE LYS 579 -7.256 -4.915 -4.144 369 HE3 LYS 579 3HE LYS 579 -7.627 -3.961 -5.590 370 HZ1 LYS 579 3HZ LYS 579 -9.068 -6.435 -4.812 371 HZ2 LYS 579 1HZ LYS 579 -9.353 -5.526 -6.143 372 HZ3 LYS 579 2HZ LYS 579 -9.659 -4.872 -4.692 373 H LYS 580 H LYS 580 -3.690 -2.542 -7.584 374 HA LYS 580 HA LYS 580 -0.787 -2.432 -6.958 375 HB2 LYS 580 2HB LYS 580 -2.762 -0.126 -7.246 376 HB3 LYS 580 3HB LYS 580 -1.006 -0.031 -7.306 377 HG2 LYS 580 2HG LYS 580 -2.818 -1.284 -9.411 378 HG3 LYS 580 3HG LYS 580 -1.945 0.241 -9.518 379 HD2 LYS 580 2HD LYS 580 0.209 -0.954 -9.432 380 HD3 LYS 580 3HD LYS 580 -0.627 -2.494 -9.238 381 HE2 LYS 580 2HE LYS 580 -0.009 -2.377 -11.530 382 HE3 LYS 580 3HE LYS 580 -1.758 -2.239 -11.401 383 HZ1 LYS 580 3HZ LYS 580 -0.989 -0.673 -12.968 384 HZ2 LYS 580 1HZ LYS 580 0.147 -0.025 -12.006 385 HZ3 LYS 580 2HZ LYS 580 -1.444 0.226 -11.698 386 H MET 581 H MET 581 -0.314 -0.583 -5.260 387 HA MET 581 HA MET 581 -1.447 -1.543 -2.700 388 HB2 MET 581 2HB MET 581 0.698 0.487 -3.431 389 HB3 MET 581 3HB MET 581 0.069 0.377 -1.789 390 HG2 MET 581 2HG MET 581 1.325 -1.919 -3.298 391 HG3 MET 581 3HG MET 581 2.155 -0.914 -2.122 392 HE1 MET 581 3HE MET 581 0.216 -0.618 0.515 393 HE2 MET 581 1HE MET 581 0.949 -2.044 1.293 394 HE3 MET 581 2HE MET 581 1.956 -0.960 0.333 395 H TYR 582 H TYR 582 -2.938 -0.601 -1.469 396 HA TYR 582 HA TYR 582 -3.450 2.316 -1.782 397 HB2 TYR 582 2HB TYR 582 -5.557 0.218 -1.148 398 HB3 TYR 582 3HB TYR 582 -5.798 1.964 -1.158 399 HD1 TYR 582 HD1 TYR 582 -5.309 -1.053 -3.205 400 HD2 TYR 582 HD2 TYR 582 -5.859 3.218 -3.301 401 HE1 TYR 582 HE1 TYR 582 -5.601 -1.159 -5.668 402 HE2 TYR 582 HE2 TYR 582 -6.178 3.113 -5.774 403 HH TYR 582 HH TYR 582 -5.845 0.017 -7.542 404 H PHE 583 H PHE 583 -2.946 3.321 0.079 405 HA PHE 583 HA PHE 583 -3.065 1.849 2.621 406 HB2 PHE 583 2HB PHE 583 -0.637 2.045 3.087 407 HB3 PHE 583 3HB PHE 583 -1.122 0.980 1.839 408 HD1 PHE 583 1HD PHE 583 -0.955 4.235 0.286 409 HD2 PHE 583 2HD PHE 583 1.409 0.995 1.859 410 HE1 PHE 583 1HE PHE 583 0.770 4.638 -1.438 411 HE2 PHE 583 2HE PHE 583 3.186 1.480 0.205 412 HZ PHE 583 HZ PHE 583 2.870 3.289 -1.453 413 H ILE 584 H ILE 584 -2.559 3.068 4.502 414 HA ILE 584 HA ILE 584 -4.415 5.305 4.104 415 HB ILE 584 HB ILE 584 -3.620 3.887 6.690 416 HG12 ILE 584 2HG1 ILE 584 -5.890 3.285 4.748 417 HG13 ILE 584 3HG1 ILE 584 -4.505 2.260 5.091 418 HG21 ILE 584 1HG2 ILE 584 -5.778 4.848 7.502 419 HG22 ILE 584 2HG2 ILE 584 -4.739 6.154 6.942 420 HG23 ILE 584 3HG2 ILE 584 -6.068 5.584 5.916 421 HD11 ILE 584 3HD1 ILE 584 -6.105 1.270 6.390 422 HD12 ILE 584 1HD1 ILE 584 -5.352 2.338 7.570 423 HD13 ILE 584 2HD1 ILE 584 -6.882 2.817 6.825 424 H GLN 585 H GLN 585 -3.508 7.330 3.715 425 HA GLN 585 HA GLN 585 -0.990 8.098 4.897 426 HB2 GLN 585 2HB GLN 585 -2.299 8.995 2.736 427 HB3 GLN 585 3HB GLN 585 -2.947 10.160 3.879 428 HG2 GLN 585 2HG GLN 585 -0.012 9.562 3.359 429 HG3 GLN 585 3HG GLN 585 -0.887 10.959 2.727 430 HE21 GLN 585 HE21 GLN 585 -1.937 12.389 4.501 431 HE22 GLN 585 HE22 GLN 585 -1.002 12.609 5.980 432 H HIS 586 H HIS 586 -4.373 9.241 5.520 433 HA HIS 586 HA HIS 586 -3.763 9.124 8.420 434 HB2 HIS 586 2HB HIS 586 -3.118 11.419 7.603 435 HB3 HIS 586 3HB HIS 586 -4.791 11.664 7.109 436 HD1 HIS 586 1HD HIS 586 -6.602 11.875 9.158 437 HD2 HIS 586 2HD HIS 586 -2.543 11.509 10.212 438 HE1 HIS 586 1HE HIS 586 -6.464 12.357 11.654 439 H GLY 587 H GLY 587 -5.399 7.946 9.321 440 HA2 GLY 587 2HA GLY 587 -7.856 8.676 9.925 441 HA3 GLY 587 3HA GLY 587 -8.144 8.119 8.276 442 H VAL 588 H VAL 588 -9.523 6.505 9.291 443 HA VAL 588 HA VAL 588 -8.062 4.090 10.096 444 HB VAL 588 HB VAL 588 -10.391 5.269 11.675 445 HG11 VAL 588 1HG1 VAL 588 -10.603 2.814 11.637 446 HG12 VAL 588 2HG1 VAL 588 -8.914 2.656 12.177 447 HG13 VAL 588 3HG1 VAL 588 -10.139 3.390 13.228 448 HG21 VAL 588 3HG2 VAL 588 -8.283 6.338 12.297 449 HG22 VAL 588 1HG2 VAL 588 -8.788 5.244 13.579 450 HG23 VAL 588 2HG2 VAL 588 -7.495 4.754 12.458 451 H VAL 589 H VAL 589 -9.186 2.169 9.587 452 HA VAL 589 HA VAL 589 -11.765 2.367 8.090 453 HB VAL 589 HB VAL 589 -11.020 0.688 6.497 454 HG11 VAL 589 1HG1 VAL 589 -9.197 3.122 6.503 455 HG12 VAL 589 2HG1 VAL 589 -9.561 2.089 5.112 456 HG13 VAL 589 3HG1 VAL 589 -10.847 3.051 5.853 457 HG21 VAL 589 3HG2 VAL 589 -9.252 -0.439 7.755 458 HG22 VAL 589 1HG2 VAL 589 -8.616 0.149 6.224 459 HG23 VAL 589 2HG2 VAL 589 -8.256 1.034 7.724 460 H SER 590 H SER 590 -13.095 0.554 8.272 461 HA SER 590 HA SER 590 -12.482 -1.320 10.561 462 HB2 SER 590 2HB SER 590 -15.224 -0.376 9.600 463 HB3 SER 590 3HB SER 590 -14.893 -1.591 10.863 464 HG SER 590 HG SER 590 -15.299 0.684 11.515 465 H VAL 591 H VAL 591 -12.506 -3.319 10.054 466 HA VAL 591 HA VAL 591 -12.529 -3.913 7.166 467 HB VAL 591 HB VAL 591 -10.502 -2.723 7.745 468 HG11 VAL 591 1HG1 VAL 591 -9.077 -3.529 9.714 469 HG12 VAL 591 2HG1 VAL 591 -10.587 -2.737 10.071 470 HG13 VAL 591 3HG1 VAL 591 -10.484 -4.550 10.123 471 HG21 VAL 591 3HG2 VAL 591 -9.693 -5.529 8.386 472 HG22 VAL 591 1HG2 VAL 591 -10.031 -4.980 6.683 473 HG23 VAL 591 2HG2 VAL 591 -8.751 -4.196 7.660 474 H LEU 592 H LEU 592 -12.142 -6.000 6.629 475 HA LEU 592 HA LEU 592 -12.116 -7.958 8.906 476 HB2 LEU 592 2HB LEU 592 -13.158 -8.396 6.062 477 HB3 LEU 592 3HB LEU 592 -12.927 -9.672 7.217 478 HG LEU 592 HG LEU 592 -15.246 -9.165 6.896 479 HD11 LEU 592 1HD1 LEU 592 -14.280 -8.409 9.658 480 HD12 LEU 592 2HD1 LEU 592 -14.513 -10.056 9.044 481 HD13 LEU 592 3HD1 LEU 592 -15.913 -8.994 9.251 482 HD21 LEU 592 3HD2 LEU 592 -16.399 -7.225 7.546 483 HD22 LEU 592 1HD2 LEU 592 -15.092 -6.693 6.474 484 HD23 LEU 592 2HD2 LEU 592 -14.953 -6.474 8.236 485 H THR 593 H THR 593 -10.233 -9.164 9.010 486 HA THR 593 HA THR 593 -8.772 -9.451 6.394 487 HB THR 593 HB THR 593 -7.052 -10.708 7.820 488 HG1 THR 593 1HG THR 593 -6.849 -9.856 9.845 489 HG21 THR 593 1HG2 THR 593 -5.922 -8.545 8.208 490 HG22 THR 593 2HG2 THR 593 -7.480 -7.689 7.979 491 HG23 THR 593 3HG2 THR 593 -6.733 -8.567 6.644 492 H LYS 594 H LYS 594 -8.705 -11.279 5.279 493 HA LYS 594 HA LYS 594 -11.268 -12.476 5.293 494 HB2 LYS 594 2HB LYS 594 -10.533 -13.691 3.321 495 HB3 LYS 594 3HB LYS 594 -10.162 -11.983 3.217 496 HG2 LYS 594 2HG LYS 594 -7.964 -13.776 4.233 497 HG3 LYS 594 3HG LYS 594 -8.448 -13.986 2.567 498 HD2 LYS 594 2HD LYS 594 -7.958 -11.680 2.024 499 HD3 LYS 594 3HD LYS 594 -7.702 -11.262 3.716 500 HE2 LYS 594 2HE LYS 594 -5.593 -11.464 2.483 501 HE3 LYS 594 3HE LYS 594 -5.678 -12.589 3.832 502 HZ1 LYS 594 3HZ LYS 594 -6.019 -14.381 2.350 503 HZ2 LYS 594 1HZ LYS 594 -4.845 -13.493 1.630 504 HZ3 LYS 594 2HZ LYS 594 -6.373 -13.412 1.066 505 H GLY 595 H GLY 595 -8.223 -13.926 6.410 506 HA2 GLY 595 2HA GLY 595 -9.417 -16.597 6.827 507 HA3 GLY 595 3HA GLY 595 -7.837 -15.992 7.387 508 H ASN 596 H ASN 596 -9.886 -13.697 8.379 509 HA ASN 596 HA ASN 596 -9.358 -14.650 11.149 510 HB2 ASN 596 2HB ASN 596 -8.430 -12.098 9.876 511 HB3 ASN 596 3HB ASN 596 -7.865 -12.785 11.351 512 HD21 ASN 596 HD21 ASN 596 -5.918 -11.859 9.834 513 HD22 ASN 596 HD22 ASN 596 -5.050 -13.204 9.141 514 H LYS 597 H LYS 597 -9.448 -11.646 11.805 515 HA LYS 597 HA LYS 597 -12.317 -11.765 12.471 516 HB2 LYS 597 2HB LYS 597 -9.896 -10.652 13.969 517 HB3 LYS 597 3HB LYS 597 -11.534 -10.397 14.509 518 HG2 LYS 597 2HG LYS 597 -10.554 -12.110 15.820 519 HG3 LYS 597 3HG LYS 597 -11.893 -12.753 14.887 520 HD2 LYS 597 2HD LYS 597 -10.028 -14.333 15.092 521 HD3 LYS 597 3HD LYS 597 -10.411 -13.960 13.432 522 HE2 LYS 597 2HE LYS 597 -8.023 -14.135 13.689 523 HE3 LYS 597 3HE LYS 597 -8.437 -12.469 13.271 524 HZ1 LYS 597 3HZ LYS 597 -7.992 -11.782 15.477 525 HZ2 LYS 597 1HZ LYS 597 -6.760 -12.798 15.097 526 HZ3 LYS 597 2HZ LYS 597 -7.970 -13.304 16.077 527 H GLU 598 H GLU 598 -13.404 -9.891 13.174 528 HA GLU 598 HA GLU 598 -13.221 -7.614 11.417 529 HB2 GLU 598 2HB GLU 598 -14.685 -8.099 14.027 530 HB3 GLU 598 3HB GLU 598 -14.747 -6.542 13.172 531 HG2 GLU 598 2HG GLU 598 -15.756 -7.465 11.263 532 HG3 GLU 598 3HG GLU 598 -15.337 -9.100 11.724 533 H MET 599 H MET 599 -11.739 -6.252 11.418 534 HA MET 599 HA MET 599 -10.448 -5.271 13.941 535 HB2 MET 599 2HB MET 599 -9.176 -5.703 11.286 536 HB3 MET 599 3HB MET 599 -8.411 -4.876 12.647 537 HG2 MET 599 2HG MET 599 -8.744 -6.934 14.033 538 HG3 MET 599 3HG MET 599 -9.364 -7.756 12.598 539 HE1 MET 599 3HE MET 599 -6.988 -5.942 10.617 540 HE2 MET 599 1HE MET 599 -6.207 -7.483 10.220 541 HE3 MET 599 2HE MET 599 -8.001 -7.364 10.306 542 H LYS 600 H LYS 600 -9.485 -3.155 13.831 543 HA LYS 600 HA LYS 600 -10.300 -1.531 11.567 544 HB2 LYS 600 2HB LYS 600 -9.513 -0.790 14.422 545 HB3 LYS 600 3HB LYS 600 -8.975 0.274 13.138 546 HG2 LYS 600 2HG LYS 600 -11.026 1.064 14.127 547 HG3 LYS 600 3HG LYS 600 -11.184 0.727 12.406 548 HD2 LYS 600 2HD LYS 600 -13.182 0.084 13.571 549 HD3 LYS 600 3HD LYS 600 -12.367 -1.284 12.820 550 HE2 LYS 600 2HE LYS 600 -11.443 -1.905 15.086 551 HE3 LYS 600 3HE LYS 600 -12.262 -0.500 15.784 552 HZ1 LYS 600 3HZ LYS 600 -14.390 -1.502 15.067 553 HZ2 LYS 600 1HZ LYS 600 -13.600 -2.543 16.069 554 HZ3 LYS 600 2HZ LYS 600 -13.628 -2.778 14.448 555 H LEU 601 H LEU 601 -8.831 -0.479 10.510 556 HA LEU 601 HA LEU 601 -5.913 -1.052 10.933 557 HB2 LEU 601 2HB LEU 601 -7.458 -1.427 8.446 558 HB3 LEU 601 3HB LEU 601 -6.104 -0.323 8.252 559 HG LEU 601 HG LEU 601 -4.572 -2.088 9.128 560 HD11 LEU 601 1HD1 LEU 601 -7.055 -3.813 9.001 561 HD12 LEU 601 2HD1 LEU 601 -6.125 -3.423 10.465 562 HD13 LEU 601 3HD1 LEU 601 -5.402 -4.421 9.198 563 HD21 LEU 601 3HD2 LEU 601 -5.058 -1.785 6.663 564 HD22 LEU 601 1HD2 LEU 601 -6.337 -3.006 6.801 565 HD23 LEU 601 2HD2 LEU 601 -4.640 -3.447 7.089 566 H SER 602 H SER 602 -4.528 0.727 10.592 567 HA SER 602 HA SER 602 -5.868 3.364 11.086 568 HB2 SER 602 2HB SER 602 -4.075 3.674 12.794 569 HB3 SER 602 3HB SER 602 -5.159 2.334 13.147 570 HG SER 602 HG SER 602 -2.962 1.840 13.493 571 H ASP 603 H ASP 603 -4.126 5.200 11.128 572 HA ASP 603 HA ASP 603 -3.107 5.459 8.510 573 HB2 ASP 603 2HB ASP 603 -2.184 7.491 9.120 574 HB3 ASP 603 3HB ASP 603 -3.660 7.324 10.058 575 H GLY 604 H GLY 604 -1.294 4.923 7.444 576 HA2 GLY 604 2HA GLY 604 0.825 4.001 7.072 577 HA3 GLY 604 3HA GLY 604 1.044 3.716 8.800 578 H SER 605 H SER 605 -1.970 2.472 7.996 579 HA SER 605 HA SER 605 -0.996 -0.304 7.623 580 HB2 SER 605 2HB SER 605 -3.761 0.898 7.881 581 HB3 SER 605 3HB SER 605 -3.405 -0.832 7.754 582 HG SER 605 HG SER 605 -2.272 0.803 9.772 583 H TYR 606 H TYR 606 -2.124 -1.668 5.944 584 HA TYR 606 HA TYR 606 -2.732 -0.188 3.437 585 HB2 TYR 606 2HB TYR 606 -1.059 -1.416 2.224 586 HB3 TYR 606 3HB TYR 606 -0.324 -0.439 3.487 587 HD1 TYR 606 HD2 TYR 606 0.470 -1.541 5.631 588 HD2 TYR 606 HD1 TYR 606 -0.622 -3.751 2.099 589 HE1 TYR 606 HE2 TYR 606 1.658 -3.544 6.512 590 HE2 TYR 606 HE1 TYR 606 0.606 -5.730 2.950 591 HH TYR 606 HH TYR 606 2.006 -5.786 6.248 592 H PHE 607 H PHE 607 -3.674 -1.203 1.821 593 HA PHE 607 HA PHE 607 -4.487 -4.012 1.859 594 HB2 PHE 607 2HB PHE 607 -6.911 -3.344 1.475 595 HB3 PHE 607 3HB PHE 607 -6.283 -3.255 3.096 596 HD1 PHE 607 2HD PHE 607 -7.097 -1.117 0.118 597 HD2 PHE 607 1HD PHE 607 -6.401 -1.300 4.371 598 HE1 PHE 607 2HE PHE 607 -7.925 1.223 0.361 599 HE2 PHE 607 1HE PHE 607 -7.241 1.037 4.586 600 HZ PHE 607 HZ PHE 607 -7.957 2.280 2.613 601 H GLY 608 H GLY 608 -6.221 -4.011 -0.273 602 HA2 GLY 608 2HA GLY 608 -6.246 -3.396 -2.636 603 HA3 GLY 608 3HA GLY 608 -4.530 -2.983 -2.537 604 H GLU 609 H GLU 609 -2.995 -4.550 -2.598 605 HA GLU 609 HA GLU 609 -3.586 -7.320 -1.996 606 HB2 GLU 609 2HB GLU 609 -3.515 -6.471 -4.754 607 HB3 GLU 609 3HB GLU 609 -2.037 -7.353 -4.472 608 HG2 GLU 609 2HG GLU 609 -4.831 -8.391 -3.844 609 HG3 GLU 609 3HG GLU 609 -3.948 -8.731 -5.324 610 H ILE 610 H ILE 610 -1.564 -8.554 -1.694 611 HA ILE 610 HA ILE 610 0.907 -6.919 -1.387 612 HB ILE 610 HB ILE 610 0.387 -9.876 -1.021 613 HG12 ILE 610 2HG1 ILE 610 1.374 -9.501 1.193 614 HG13 ILE 610 3HG1 ILE 610 1.656 -7.802 0.825 615 HG21 ILE 610 1HG2 ILE 610 3.079 -8.452 -1.266 616 HG22 ILE 610 2HG2 ILE 610 2.875 -10.025 -0.484 617 HG23 ILE 610 3HG2 ILE 610 2.519 -9.869 -2.189 618 HD11 ILE 610 3HD1 ILE 610 -0.307 -8.284 2.330 619 HD12 ILE 610 1HD1 ILE 610 -0.715 -7.326 0.904 620 HD13 ILE 610 2HD1 ILE 610 -1.112 -9.063 0.954 621 H CYS 611 H CYS 611 2.292 -6.617 -3.007 622 HA CYS 611 HA CYS 611 1.884 -7.831 -5.664 623 HB2 CYS 611 2HB CYS 611 1.401 -5.562 -6.611 624 HB3 CYS 611 3HB CYS 611 0.127 -6.191 -5.574 625 HG CYS 611 HG CYS 611 0.502 -4.773 -3.539 626 H LEU 612 H LEU 612 3.245 -5.923 -7.119 627 HA LEU 612 HA LEU 612 5.155 -5.026 -7.738 628 HB2 LEU 612 2HB LEU 612 4.967 -3.978 -5.388 629 HB3 LEU 612 3HB LEU 612 6.217 -5.097 -4.895 630 HG LEU 612 HG LEU 612 7.017 -2.868 -5.339 631 HD11 LEU 612 1HD1 LEU 612 8.556 -4.793 -5.790 632 HD12 LEU 612 2HD1 LEU 612 8.949 -3.243 -6.546 633 HD13 LEU 612 3HD1 LEU 612 8.224 -4.547 -7.526 634 HD21 LEU 612 3HD2 LEU 612 7.130 -1.912 -7.567 635 HD22 LEU 612 1HD2 LEU 612 5.451 -2.218 -7.063 636 HD23 LEU 612 2HD2 LEU 612 6.254 -3.277 -8.251 637 H LEU 613 H LEU 613 6.011 -7.499 -5.318 638 HA LEU 613 HA LEU 613 7.682 -8.877 -7.385 639 HB2 LEU 613 2HB LEU 613 8.516 -10.246 -5.444 640 HB3 LEU 613 3HB LEU 613 9.061 -8.591 -5.626 641 HG LEU 613 HG LEU 613 7.669 -7.830 -3.781 642 HD11 LEU 613 1HD1 LEU 613 6.481 -9.450 -2.331 643 HD12 LEU 613 2HD1 LEU 613 6.803 -10.735 -3.517 644 HD13 LEU 613 3HD1 LEU 613 5.751 -9.352 -3.932 645 HD21 LEU 613 3HD2 LEU 613 8.835 -9.007 -1.970 646 HD22 LEU 613 1HD2 LEU 613 9.934 -8.718 -3.328 647 HD23 LEU 613 2HD2 LEU 613 9.247 -10.337 -3.073 648 H THR 614 H THR 614 4.595 -8.892 -6.218 649 HA THR 614 HA THR 614 4.107 -11.654 -7.207 650 HB THR 614 HB THR 614 2.169 -11.704 -5.541 651 HG1 THR 614 1HG THR 614 2.098 -10.278 -4.035 652 HG21 THR 614 1HG2 THR 614 4.995 -11.640 -4.497 653 HG22 THR 614 2HG2 THR 614 3.916 -13.024 -4.734 654 HG23 THR 614 3HG2 THR 614 3.597 -11.856 -3.422 655 H ARG 615 H ARG 615 2.016 -12.092 -8.012 656 HA ARG 615 HA ARG 615 0.008 -9.979 -8.191 657 HB2 ARG 615 2HB ARG 615 1.008 -11.372 -10.710 658 HB3 ARG 615 3HB ARG 615 -0.553 -10.551 -10.583 659 HG2 ARG 615 2HG ARG 615 0.719 -8.476 -9.828 660 HG3 ARG 615 3HG ARG 615 2.201 -9.287 -10.359 661 HD2 ARG 615 2HD ARG 615 -0.205 -8.735 -12.140 662 HD3 ARG 615 3HD ARG 615 1.183 -7.665 -11.966 663 HE ARG 615 HE ARG 615 1.609 -10.490 -12.825 664 HH11 ARG 615 1HH1 ARG 615 2.002 -7.109 -13.676 665 HH12 ARG 615 2HH1 ARG 615 2.733 -7.496 -15.210 666 HH21 ARG 615 1HH2 ARG 615 2.339 -10.914 -14.813 667 HH22 ARG 615 2HH2 ARG 615 2.811 -9.613 -15.884 668 H GLY 616 H GLY 616 -2.130 -10.782 -8.346 669 HA2 GLY 616 2HA GLY 616 -2.996 -13.435 -8.772 670 HA3 GLY 616 3HA GLY 616 -2.579 -13.303 -7.061 671 H ARG 617 H ARG 617 -5.057 -13.956 -7.421 672 HA ARG 617 HA ARG 617 -6.852 -11.558 -7.234 673 HB2 ARG 617 2HB ARG 617 -7.332 -14.584 -7.252 674 HB3 ARG 617 3HB ARG 617 -8.583 -13.438 -6.846 675 HG2 ARG 617 2HG ARG 617 -7.144 -13.645 -9.514 676 HG3 ARG 617 3HG ARG 617 -8.794 -14.131 -9.154 677 HD2 ARG 617 2HD ARG 617 -7.673 -11.302 -9.197 678 HD3 ARG 617 3HD ARG 617 -8.847 -11.975 -10.314 679 HE ARG 617 HE ARG 617 -9.354 -10.796 -7.709 680 HH11 ARG 617 1HH1 ARG 617 -10.850 -13.236 -9.864 681 HH12 ARG 617 2HH1 ARG 617 -12.320 -13.122 -8.889 682 HH21 ARG 617 1HH2 ARG 617 -11.086 -10.942 -6.628 683 HH22 ARG 617 2HH2 ARG 617 -12.461 -11.945 -7.182 684 H ARG 618 H ARG 618 -8.152 -11.231 -5.441 685 HA ARG 618 HA ARG 618 -7.238 -12.449 -2.855 686 HB2 ARG 618 2HB ARG 618 -6.497 -9.984 -3.556 687 HB3 ARG 618 3HB ARG 618 -8.129 -9.566 -3.041 688 HG2 ARG 618 2HG ARG 618 -7.617 -10.555 -0.794 689 HG3 ARG 618 3HG ARG 618 -5.998 -10.960 -1.357 690 HD2 ARG 618 2HD ARG 618 -5.489 -8.573 -1.697 691 HD3 ARG 618 3HD ARG 618 -7.146 -8.134 -1.281 692 HE ARG 618 HE ARG 618 -6.692 -8.445 0.988 693 HH11 ARG 618 1HH1 ARG 618 -3.884 -9.802 -0.776 694 HH12 ARG 618 2HH1 ARG 618 -3.162 -10.251 0.751 695 HH21 ARG 618 1HH2 ARG 618 -5.333 -8.706 2.790 696 HH22 ARG 618 2HH2 ARG 618 -3.873 -9.643 2.538 697 H THR 619 H THR 619 -8.831 -12.148 -1.109 698 HA THR 619 HA THR 619 -11.581 -11.397 -1.967 699 HB THR 619 HB THR 619 -12.406 -12.429 0.169 700 HG1 THR 619 1HG THR 619 -11.226 -14.083 1.028 701 HG21 THR 619 1HG2 THR 619 -11.263 -14.335 -1.913 702 HG22 THR 619 2HG2 THR 619 -12.816 -13.467 -2.002 703 HG23 THR 619 3HG2 THR 619 -12.567 -14.704 -0.763 704 H ALA 620 H ALA 620 -12.290 -9.504 -1.083 705 HA ALA 620 HA ALA 620 -10.676 -8.293 1.101 706 HB1 ALA 620 1HB ALA 620 -9.553 -7.739 -1.029 707 HB2 ALA 620 2HB ALA 620 -11.047 -6.971 -1.601 708 HB3 ALA 620 3HB ALA 620 -10.189 -6.317 -0.192 709 H SER 621 H SER 621 -11.833 -7.360 2.543 710 HA SER 621 HA SER 621 -14.493 -6.146 1.938 711 HB2 SER 621 2HB SER 621 -13.964 -8.125 4.180 712 HB3 SER 621 3HB SER 621 -15.507 -7.365 3.780 713 HG SER 621 HG SER 621 -15.277 -9.535 3.050 714 H VAL 622 H VAL 622 -13.825 -4.032 2.425 715 HA VAL 622 HA VAL 622 -13.624 -3.417 5.206 716 HB VAL 622 HB VAL 622 -11.393 -3.865 5.216 717 HG11 VAL 622 1HG1 VAL 622 -10.699 -2.303 2.763 718 HG12 VAL 622 2HG1 VAL 622 -9.629 -3.250 3.790 719 HG13 VAL 622 3HG1 VAL 622 -10.836 -4.097 2.838 720 HG21 VAL 622 3HG2 VAL 622 -10.214 -1.808 5.547 721 HG22 VAL 622 1HG2 VAL 622 -11.421 -0.914 4.587 722 HG23 VAL 622 2HG2 VAL 622 -11.870 -1.688 6.153 723 H ARG 623 H ARG 623 -14.104 -1.337 5.773 724 HA ARG 623 HA ARG 623 -14.771 0.627 3.650 725 HB2 ARG 623 2HB ARG 623 -16.927 1.101 4.545 726 HB3 ARG 623 3HB ARG 623 -16.857 -0.588 4.091 727 HG2 ARG 623 2HG ARG 623 -16.403 0.264 6.977 728 HG3 ARG 623 3HG ARG 623 -18.025 0.165 6.295 729 HD2 ARG 623 2HD ARG 623 -17.746 -2.189 5.753 730 HD3 ARG 623 3HD ARG 623 -16.069 -2.161 6.329 731 HE ARG 623 HE ARG 623 -17.898 -1.227 8.362 732 HH11 ARG 623 1HH1 ARG 623 -16.793 -4.249 6.909 733 HH12 ARG 623 2HH1 ARG 623 -17.133 -5.130 8.399 734 HH21 ARG 623 1HH2 ARG 623 -18.420 -2.524 10.111 735 HH22 ARG 623 2HH2 ARG 623 -17.906 -4.204 10.106 736 H ALA 624 H ALA 624 -15.194 2.830 4.505 737 HA ALA 624 HA ALA 624 -13.000 3.570 6.233 738 HB1 ALA 624 1HB ALA 624 -15.281 5.184 5.042 739 HB2 ALA 624 2HB ALA 624 -13.808 5.858 5.769 740 HB3 ALA 624 3HB ALA 624 -13.701 4.896 4.288 741 H ASP 625 H ASP 625 -12.923 3.917 8.409 742 HA ASP 625 HA ASP 625 -15.299 3.508 10.080 743 HB2 ASP 625 2HB ASP 625 -12.748 2.931 10.553 744 HB3 ASP 625 3HB ASP 625 -12.615 4.595 10.986 745 H THR 626 H THR 626 -13.769 6.084 8.557 746 HA THR 626 HA THR 626 -15.034 8.376 9.887 747 HB THR 626 HB THR 626 -13.387 7.642 11.561 748 HG1 THR 626 1HG THR 626 -13.575 9.751 11.526 749 HG21 THR 626 1HG2 THR 626 -10.972 7.696 11.081 750 HG22 THR 626 2HG2 THR 626 -11.310 7.926 9.351 751 HG23 THR 626 3HG2 THR 626 -11.796 6.419 10.180 752 H TYR 627 H TYR 627 -13.836 10.450 8.936 753 HA TYR 627 HA TYR 627 -13.460 10.188 6.060 754 HB2 TYR 627 2HB TYR 627 -14.229 12.269 6.488 755 HB3 TYR 627 3HB TYR 627 -13.452 12.380 8.048 756 HD1 TYR 627 HD1 TYR 627 -12.765 12.662 4.367 757 HD2 TYR 627 HD2 TYR 627 -11.462 13.529 8.374 758 HE1 TYR 627 HE1 TYR 627 -10.984 14.224 3.486 759 HE2 TYR 627 HE2 TYR 627 -9.718 15.051 7.505 760 HH TYR 627 HH TYR 627 -8.709 15.879 5.666 761 H CYS 628 H CYS 628 -11.815 9.363 5.099 762 HA CYS 628 HA CYS 628 -9.214 9.062 6.539 763 HB2 CYS 628 2HB CYS 628 -10.933 7.144 6.635 764 HB3 CYS 628 3HB CYS 628 -10.623 6.929 4.899 765 HG CYS 628 HG CYS 628 -9.366 5.182 6.500 766 H ARG 629 H ARG 629 -7.500 9.614 5.444 767 HA ARG 629 HA ARG 629 -7.666 10.153 2.512 768 HB2 ARG 629 2HB ARG 629 -5.674 11.143 4.606 769 HB3 ARG 629 3HB ARG 629 -5.678 11.557 2.890 770 HG2 ARG 629 2HG ARG 629 -8.320 12.058 3.620 771 HG3 ARG 629 3HG ARG 629 -7.461 12.450 5.097 772 HD2 ARG 629 2HD ARG 629 -6.597 13.588 2.401 773 HD3 ARG 629 3HD ARG 629 -7.993 14.228 3.226 774 HE ARG 629 HE ARG 629 -5.688 14.077 4.983 775 HH11 ARG 629 1HH1 ARG 629 -7.314 16.250 2.710 776 HH12 ARG 629 2HH1 ARG 629 -6.322 17.592 3.264 777 HH21 ARG 629 1HH2 ARG 629 -4.469 15.806 5.462 778 HH22 ARG 629 2HH2 ARG 629 -4.895 17.390 4.785 779 H LEU 630 H LEU 630 -6.936 8.828 1.232 780 HA LEU 630 HA LEU 630 -5.008 6.694 2.063 781 HB2 LEU 630 2HB LEU 630 -7.030 6.639 -0.204 782 HB3 LEU 630 3HB LEU 630 -5.950 5.337 0.290 783 HG LEU 630 HG LEU 630 -8.359 6.414 1.807 784 HD11 LEU 630 1HD1 LEU 630 -7.645 3.660 0.711 785 HD12 LEU 630 2HD1 LEU 630 -8.680 4.831 -0.104 786 HD13 LEU 630 3HD1 LEU 630 -9.198 4.158 1.450 787 HD21 LEU 630 3HD2 LEU 630 -6.299 4.352 2.704 788 HD22 LEU 630 1HD2 LEU 630 -7.884 4.616 3.481 789 HD23 LEU 630 2HD2 LEU 630 -6.677 5.899 3.504 790 H TYR 631 H TYR 631 -3.483 6.006 0.529 791 HA TYR 631 HA TYR 631 -3.074 7.788 -1.788 792 HB2 TYR 631 2HB TYR 631 -0.842 8.198 -1.367 793 HB3 TYR 631 3HB TYR 631 -1.733 8.643 0.043 794 HD1 TYR 631 HD1 TYR 631 -1.753 6.905 2.043 795 HD2 TYR 631 HD2 TYR 631 1.181 7.123 -1.073 796 HE1 TYR 631 HE1 TYR 631 -0.015 6.071 3.632 797 HE2 TYR 631 HE2 TYR 631 2.948 6.401 0.531 798 HH TYR 631 HH TYR 631 3.410 6.175 2.745 799 H SER 632 H SER 632 -1.962 6.905 -3.527 800 HA SER 632 HA SER 632 -1.649 3.929 -3.410 801 HB2 SER 632 2HB SER 632 -3.906 4.435 -4.317 802 HB3 SER 632 3HB SER 632 -3.138 5.302 -5.664 803 HG SER 632 HG SER 632 -2.680 2.575 -4.909 804 H LEU 633 H LEU 633 0.342 3.593 -3.749 805 HA LEU 633 HA LEU 633 1.897 5.140 -5.772 806 HB2 LEU 633 2HB LEU 633 2.578 4.818 -3.248 807 HB3 LEU 633 3HB LEU 633 3.022 3.191 -3.749 808 HG LEU 633 HG LEU 633 4.192 5.840 -4.713 809 HD11 LEU 633 1HD1 LEU 633 6.172 5.092 -3.611 810 HD12 LEU 633 2HD1 LEU 633 5.455 3.509 -3.239 811 HD13 LEU 633 3HD1 LEU 633 4.836 4.992 -2.470 812 HD21 LEU 633 3HD2 LEU 633 4.845 3.022 -5.663 813 HD22 LEU 633 1HD2 LEU 633 5.789 4.489 -6.033 814 HD23 LEU 633 2HD2 LEU 633 4.153 4.327 -6.648 815 H SER 634 H SER 634 1.482 4.171 -7.721 816 HA SER 634 HA SER 634 0.765 1.388 -7.944 817 HB2 SER 634 2HB SER 634 0.042 3.067 -9.606 818 HB3 SER 634 3HB SER 634 1.736 3.267 -10.110 819 HG SER 634 HG SER 634 0.960 1.718 -11.458 820 H VAL 635 H VAL 635 1.932 -0.348 -8.818 821 HA VAL 635 HA VAL 635 4.675 -0.678 -8.167 822 HB VAL 635 HB VAL 635 4.694 -2.644 -9.515 823 HG11 VAL 635 1HG1 VAL 635 1.851 -2.493 -8.457 824 HG12 VAL 635 2HG1 VAL 635 2.874 -3.921 -8.689 825 HG13 VAL 635 3HG1 VAL 635 3.281 -2.744 -7.431 826 HG21 VAL 635 3HG2 VAL 635 3.817 -2.002 -11.584 827 HG22 VAL 635 1HG2 VAL 635 2.884 -3.351 -10.967 828 HG23 VAL 635 2HG2 VAL 635 2.193 -1.707 -10.898 829 H ASP 636 H ASP 636 3.145 0.673 -10.991 830 HA ASP 636 HA ASP 636 5.171 0.645 -12.885 831 HB2 ASP 636 2HB ASP 636 3.068 2.776 -12.316 832 HB3 ASP 636 3HB ASP 636 3.986 2.646 -13.819 833 H ASN 637 H ASN 637 4.985 2.765 -10.090 834 HA ASN 637 HA ASN 637 7.277 4.374 -11.098 835 HB2 ASN 637 2HB ASN 637 5.615 4.809 -8.591 836 HB3 ASN 637 3HB ASN 637 6.700 5.964 -9.384 837 HD21 ASN 637 HD21 ASN 637 6.092 6.414 -11.786 838 HD22 ASN 637 HD22 ASN 637 4.381 6.343 -12.193 839 H PHE 638 H PHE 638 6.618 1.775 -9.007 840 HA PHE 638 HA PHE 638 8.809 2.173 -7.092 841 HB2 PHE 638 2HB PHE 638 6.531 1.686 -6.467 842 HB3 PHE 638 3HB PHE 638 6.535 0.217 -7.390 843 HD1 PHE 638 1HD PHE 638 9.624 -0.251 -5.860 844 HD2 PHE 638 2HD PHE 638 5.461 0.231 -4.819 845 HE1 PHE 638 1HE PHE 638 9.968 -1.611 -3.855 846 HE2 PHE 638 2HE PHE 638 5.830 -1.118 -2.773 847 HZ PHE 638 HZ PHE 638 8.075 -2.063 -2.298 848 H ASN 639 H ASN 639 7.853 -0.295 -9.601 849 HA ASN 639 HA ASN 639 10.327 -1.768 -9.319 850 HB2 ASN 639 2HB ASN 639 9.502 -2.891 -11.311 851 HB3 ASN 639 3HB ASN 639 8.323 -2.812 -9.996 852 HD21 ASN 639 HD21 ASN 639 6.606 -3.318 -11.380 853 HD22 ASN 639 HD22 ASN 639 5.979 -2.110 -12.514 854 H GLU 640 H GLU 640 9.511 1.062 -11.064 855 HA GLU 640 HA GLU 640 11.837 1.244 -12.777 856 HB2 GLU 640 2HB GLU 640 10.141 3.269 -11.266 857 HB3 GLU 640 3HB GLU 640 11.510 3.784 -12.212 858 HG2 GLU 640 2HG GLU 640 9.009 2.383 -13.190 859 HG3 GLU 640 3HG GLU 640 9.437 4.074 -13.465 860 H VAL 641 H VAL 641 11.298 2.237 -9.399 861 HA VAL 641 HA VAL 641 13.975 3.419 -9.256 862 HB VAL 641 HB VAL 641 12.163 4.655 -8.435 863 HG11 VAL 641 1HG1 VAL 641 10.896 4.077 -6.442 864 HG12 VAL 641 2HG1 VAL 641 10.616 2.988 -7.796 865 HG13 VAL 641 3HG1 VAL 641 11.626 2.453 -6.429 866 HG21 VAL 641 3HG2 VAL 641 12.879 5.359 -6.280 867 HG22 VAL 641 1HG2 VAL 641 13.620 3.815 -5.916 868 HG23 VAL 641 2HG2 VAL 641 14.346 4.876 -7.168 869 H LEU 642 H LEU 642 12.524 0.505 -8.118 870 HA LEU 642 HA LEU 642 14.514 -0.682 -6.482 871 HB2 LEU 642 2HB LEU 642 12.988 -1.644 -8.950 872 HB3 LEU 642 3HB LEU 642 14.193 -2.654 -8.213 873 HG LEU 642 HG LEU 642 11.578 -1.766 -6.966 874 HD11 LEU 642 1HD1 LEU 642 11.191 -4.218 -6.941 875 HD12 LEU 642 2HD1 LEU 642 12.794 -4.495 -7.638 876 HD13 LEU 642 3HD1 LEU 642 11.542 -3.672 -8.591 877 HD21 LEU 642 3HD2 LEU 642 13.299 -1.807 -5.165 878 HD22 LEU 642 1HD2 LEU 642 13.797 -3.421 -5.691 879 HD23 LEU 642 2HD2 LEU 642 12.176 -3.154 -5.026 880 H GLU 643 H GLU 643 14.693 0.023 -9.938 881 HA GLU 643 HA GLU 643 17.392 -1.107 -10.186 882 HB2 GLU 643 2HB GLU 643 15.525 0.214 -12.158 883 HB3 GLU 643 3HB GLU 643 17.031 -0.585 -12.597 884 HG2 GLU 643 2HG GLU 643 15.156 -2.261 -11.019 885 HG3 GLU 643 3HG GLU 643 14.450 -1.644 -12.490 886 H GLU 644 H GLU 644 16.207 2.073 -9.373 887 HA GLU 644 HA GLU 644 18.481 3.508 -10.602 888 HB2 GLU 644 2HB GLU 644 16.322 4.230 -8.591 889 HB3 GLU 644 3HB GLU 644 17.587 5.346 -9.063 890 HG2 GLU 644 2HG GLU 644 16.247 4.180 -11.416 891 HG3 GLU 644 3HG GLU 644 15.136 4.950 -10.297 892 H TYR 645 H TYR 645 17.904 1.659 -7.831 893 HA TYR 645 HA TYR 645 20.579 2.241 -6.654 894 HB2 TYR 645 2HB TYR 645 18.011 1.744 -5.085 895 HB3 TYR 645 3HB TYR 645 19.611 2.058 -4.416 896 HD1 TYR 645 HD1 TYR 645 16.798 3.487 -6.358 897 HD2 TYR 645 HD2 TYR 645 20.341 4.334 -4.090 898 HE1 TYR 645 HE1 TYR 645 16.392 5.902 -6.687 899 HE2 TYR 645 HE2 TYR 645 19.893 6.796 -4.315 900 HH TYR 645 HH TYR 645 17.257 7.965 -6.441 901 HA PRO 646 HA PRO 646 19.145 -1.839 -8.333 902 HB2 PRO 646 2HB PRO 646 21.528 -2.821 -9.413 903 HB3 PRO 646 3HB PRO 646 20.372 -1.721 -10.219 904 HG2 PRO 646 2HG PRO 646 22.868 -0.979 -8.664 905 HG3 PRO 646 3HG PRO 646 22.360 -0.417 -10.294 906 HD2 PRO 646 2HD PRO 646 21.848 1.138 -8.169 907 HD3 PRO 646 3HD PRO 646 20.573 0.872 -9.373 908 H MET 647 H MET 647 21.362 -1.470 -5.712 909 HA MET 647 HA MET 647 21.638 -4.304 -5.079 910 HB2 MET 647 2HB MET 647 22.331 -3.586 -2.931 911 HB3 MET 647 3HB MET 647 23.011 -2.429 -4.080 912 HG2 MET 647 2HG MET 647 21.003 -0.986 -3.653 913 HG3 MET 647 3HG MET 647 20.485 -2.148 -2.432 914 HE1 MET 647 3HE MET 647 20.078 -1.040 -0.568 915 HE2 MET 647 1HE MET 647 20.932 0.424 -0.005 916 HE3 MET 647 2HE MET 647 20.151 0.377 -1.623 917 H MET 648 H MET 648 19.122 -1.875 -4.742 918 HA MET 648 HA MET 648 17.442 -3.340 -2.912 919 HB2 MET 648 2HB MET 648 16.835 -0.959 -4.704 920 HB3 MET 648 3HB MET 648 15.819 -1.514 -3.373 921 HG2 MET 648 2HG MET 648 18.676 -0.654 -2.895 922 HG3 MET 648 3HG MET 648 17.397 0.518 -3.098 923 HE1 MET 648 3HE MET 648 18.500 -2.606 -0.971 924 HE2 MET 648 1HE MET 648 17.574 -2.387 0.526 925 HE3 MET 648 2HE MET 648 16.750 -2.949 -0.931 926 H ARG 649 H ARG 649 17.469 -2.933 -6.480 927 HA ARG 649 HA ARG 649 15.264 -4.671 -7.030 928 HB2 ARG 649 2HB ARG 649 16.414 -3.390 -8.767 929 HB3 ARG 649 3HB ARG 649 17.885 -4.309 -8.543 930 HG2 ARG 649 2HG ARG 649 15.427 -5.940 -9.131 931 HG3 ARG 649 3HG ARG 649 15.889 -4.825 -10.404 932 HD2 ARG 649 2HD ARG 649 17.744 -6.909 -9.186 933 HD3 ARG 649 3HD ARG 649 16.886 -7.066 -10.726 934 HE ARG 649 HE ARG 649 18.117 -4.873 -11.355 935 HH11 ARG 649 1HH1 ARG 649 19.739 -7.461 -9.462 936 HH12 ARG 649 2HH1 ARG 649 21.286 -6.727 -9.830 937 HH21 ARG 649 1HH2 ARG 649 20.188 -4.203 -11.770 938 HH22 ARG 649 2HH2 ARG 649 21.523 -5.129 -11.110 939 H ARG 650 H ARG 650 18.738 -5.614 -6.535 940 HA ARG 650 HA ARG 650 18.274 -8.420 -6.589 941 HB2 ARG 650 2HB ARG 650 20.450 -7.410 -6.838 942 HB3 ARG 650 3HB ARG 650 20.413 -6.729 -5.219 943 HG2 ARG 650 2HG ARG 650 20.139 -9.704 -5.627 944 HG3 ARG 650 3HG ARG 650 21.729 -8.948 -5.759 945 HD2 ARG 650 2HD ARG 650 19.946 -8.756 -3.304 946 HD3 ARG 650 3HD ARG 650 21.271 -9.910 -3.500 947 HE ARG 650 HE ARG 650 22.707 -7.768 -3.878 948 HH11 ARG 650 1HH1 ARG 650 20.173 -7.830 -1.357 949 HH12 ARG 650 2HH1 ARG 650 20.590 -6.161 -0.981 950 HH21 ARG 650 1HH2 ARG 650 23.223 -5.933 -3.051 951 HH22 ARG 650 2HH2 ARG 650 22.509 -5.365 -1.533 952 H ALA 651 H ALA 651 18.172 -6.185 -3.833 953 HA ALA 651 HA ALA 651 17.626 -8.012 -1.780 954 HB1 ALA 651 1HB ALA 651 18.165 -5.536 -1.549 955 HB2 ALA 651 2HB ALA 651 16.489 -5.196 -2.033 956 HB3 ALA 651 3HB ALA 651 16.810 -6.087 -0.547 957 H PHE 652 H PHE 652 15.404 -6.855 -4.275 958 HA PHE 652 HA PHE 652 13.074 -8.248 -3.087 959 HB2 PHE 652 2HB PHE 652 13.548 -6.382 -5.411 960 HB3 PHE 652 3HB PHE 652 12.153 -7.446 -5.431 961 HD1 PHE 652 1HD PHE 652 13.826 -5.163 -2.910 962 HD2 PHE 652 2HD PHE 652 10.181 -6.466 -4.792 963 HE1 PHE 652 1HE PHE 652 12.558 -3.471 -1.611 964 HE2 PHE 652 2HE PHE 652 8.908 -4.763 -3.491 965 HZ PHE 652 HZ PHE 652 10.102 -3.237 -1.949 966 H GLU 653 H GLU 653 15.198 -8.550 -6.007 967 HA GLU 653 HA GLU 653 13.874 -10.828 -7.073 968 HB2 GLU 653 2HB GLU 653 16.817 -10.090 -7.328 969 HB3 GLU 653 3HB GLU 653 15.958 -11.233 -8.342 970 HG2 GLU 653 2HG GLU 653 15.616 -8.235 -8.247 971 HG3 GLU 653 3HG GLU 653 16.203 -9.211 -9.577 972 H THR 654 H THR 654 16.064 -10.707 -4.353 973 HA THR 654 HA THR 654 16.693 -13.581 -4.381 974 HB THR 654 HB THR 654 18.303 -12.045 -3.455 975 HG1 THR 654 1HG THR 654 18.533 -13.186 -1.473 976 HG21 THR 654 1HG2 THR 654 16.488 -11.651 -1.051 977 HG22 THR 654 2HG2 THR 654 16.543 -10.475 -2.371 978 HG23 THR 654 3HG2 THR 654 18.015 -10.836 -1.450 979 H VAL 655 H VAL 655 14.505 -11.457 -2.604 980 HA VAL 655 HA VAL 655 13.497 -13.568 -0.889 981 HB VAL 655 HB VAL 655 13.827 -11.246 -0.180 982 HG11 VAL 655 1HG1 VAL 655 13.263 -10.063 -2.085 983 HG12 VAL 655 2HG1 VAL 655 11.536 -10.529 -1.994 984 HG13 VAL 655 3HG1 VAL 655 12.250 -9.493 -0.755 985 HG21 VAL 655 3HG2 VAL 655 11.836 -11.023 1.178 986 HG22 VAL 655 1HG2 VAL 655 10.894 -12.028 0.072 987 HG23 VAL 655 2HG2 VAL 655 12.201 -12.751 1.029 988 H ALA 656 H ALA 656 12.359 -11.933 -3.822 989 HA ALA 656 HA ALA 656 9.715 -12.789 -3.908 990 HB1 ALA 656 1HB ALA 656 9.922 -12.470 -6.355 991 HB2 ALA 656 2HB ALA 656 10.738 -11.178 -5.458 992 HB3 ALA 656 3HB ALA 656 11.694 -12.475 -6.201 993 H ILE 657 H ILE 657 12.519 -14.837 -4.337 994 HA ILE 657 HA ILE 657 10.748 -17.143 -5.038 995 HB ILE 657 HB ILE 657 12.555 -16.935 -6.548 996 HG12 ILE 657 2HG1 ILE 657 13.086 -19.307 -4.708 997 HG13 ILE 657 3HG1 ILE 657 11.670 -19.164 -5.751 998 HG21 ILE 657 1HG2 ILE 657 14.498 -17.264 -4.228 999 HG22 ILE 657 2HG2 ILE 657 14.912 -17.177 -5.946 1000 HG23 ILE 657 3HG2 ILE 657 14.240 -15.762 -5.156 1001 HD11 ILE 657 3HD1 ILE 657 13.294 -20.513 -6.891 1002 HD12 ILE 657 1HD1 ILE 657 13.176 -18.960 -7.736 1003 HD13 ILE 657 2HD1 ILE 657 14.565 -19.301 -6.673 1004 H ASP 658 H ASP 658 13.196 -16.123 -2.576 1005 HA ASP 658 HA ASP 658 13.084 -18.490 -1.063 1006 HB2 ASP 658 2HB ASP 658 14.698 -16.447 -1.046 1007 HB3 ASP 658 3HB ASP 658 13.601 -15.751 0.139 1008 H ARG 659 H ARG 659 11.061 -15.533 -0.681 1009 HA ARG 659 HA ARG 659 9.640 -16.277 1.641 1010 HB2 ARG 659 2HB ARG 659 8.490 -14.297 1.165 1011 HB3 ARG 659 3HB ARG 659 10.000 -14.030 0.392 1012 HG2 ARG 659 2HG ARG 659 8.943 -14.772 -1.815 1013 HG3 ARG 659 3HG ARG 659 7.408 -14.891 -0.988 1014 HD2 ARG 659 2HD ARG 659 8.960 -12.290 -0.931 1015 HD3 ARG 659 3HD ARG 659 8.000 -12.724 -2.335 1016 HE ARG 659 HE ARG 659 7.020 -11.859 0.256 1017 HH11 ARG 659 1HH1 ARG 659 6.107 -13.678 -2.639 1018 HH12 ARG 659 2HH1 ARG 659 4.421 -13.709 -2.181 1019 HH21 ARG 659 1HH2 ARG 659 4.837 -11.704 0.591 1020 HH22 ARG 659 2HH2 ARG 659 3.691 -12.456 -0.519 1021 H LEU 660 H LEU 660 9.229 -17.274 -1.653 1022 HA LEU 660 HA LEU 660 6.442 -18.210 -1.182 1023 HB2 LEU 660 2HB LEU 660 6.986 -16.534 -2.934 1024 HB3 LEU 660 3HB LEU 660 7.920 -17.742 -3.804 1025 HG LEU 660 HG LEU 660 5.033 -18.334 -3.069 1026 HD11 LEU 660 1HD1 LEU 660 4.949 -16.063 -4.022 1027 HD12 LEU 660 2HD1 LEU 660 4.262 -17.240 -5.144 1028 HD13 LEU 660 3HD1 LEU 660 5.898 -16.601 -5.427 1029 HD21 LEU 660 3HD2 LEU 660 6.355 -20.080 -4.212 1030 HD22 LEU 660 1HD2 LEU 660 6.717 -18.947 -5.527 1031 HD23 LEU 660 2HD2 LEU 660 5.048 -19.492 -5.240 1032 H ASP 661 H ASP 661 9.662 -19.337 -1.766 1033 HA ASP 661 HA ASP 661 10.694 -21.235 -1.942 1034 HB2 ASP 661 2HB ASP 661 9.030 -21.655 0.048 1035 HB3 ASP 661 3HB ASP 661 8.378 -22.900 -1.020 1036 H ARG 662 H ARG 662 10.900 -23.369 -3.089 1037 HA ARG 662 HA ARG 662 10.143 -22.804 -5.828 1038 HB2 ARG 662 2HB ARG 662 11.834 -24.946 -4.527 1039 HB3 ARG 662 3HB ARG 662 11.590 -24.845 -6.274 1040 HG2 ARG 662 2HG ARG 662 12.612 -22.700 -6.437 1041 HG3 ARG 662 3HG ARG 662 12.516 -22.419 -4.709 1042 HD2 ARG 662 2HD ARG 662 14.173 -24.331 -4.390 1043 HD3 ARG 662 3HD ARG 662 14.362 -24.357 -6.140 1044 HE ARG 662 HE ARG 662 15.717 -22.488 -6.001 1045 HH11 ARG 662 1HH1 ARG 662 13.888 -22.649 -3.024 1046 HH12 ARG 662 2HH1 ARG 662 14.652 -21.256 -2.330 1047 HH21 ARG 662 1HH2 ARG 662 16.785 -20.713 -5.002 1048 HH22 ARG 662 2HH2 ARG 662 16.238 -20.220 -3.418 1049 H ILE 663 H ILE 663 9.504 -25.725 -3.859 1050 HA ILE 663 HA ILE 663 7.887 -27.262 -3.885 1051 HB ILE 663 HB ILE 663 6.032 -25.197 -5.076 1052 HG12 ILE 663 2HG1 ILE 663 7.056 -24.090 -3.208 1053 HG13 ILE 663 3HG1 ILE 663 5.403 -24.551 -2.841 1054 HG21 ILE 663 1HG2 ILE 663 5.016 -27.371 -5.025 1055 HG22 ILE 663 2HG2 ILE 663 5.514 -27.642 -3.347 1056 HG23 ILE 663 3HG2 ILE 663 4.304 -26.404 -3.739 1057 HD11 ILE 663 3HD1 ILE 663 7.850 -26.073 -1.888 1058 HD12 ILE 663 1HD1 ILE 663 6.924 -24.905 -0.932 1059 HD13 ILE 663 2HD1 ILE 663 6.160 -26.418 -1.461 1060 H GLY 664 H GLY 664 7.070 -28.960 -4.982 1061 HA2 GLY 664 2HA GLY 664 8.241 -29.433 -7.567 1062 HA3 GLY 664 3HA GLY 664 7.135 -30.511 -6.703 1063 H LYS 665 H LYS 665 4.872 -28.792 -6.582 1064 HA LYS 665 HA LYS 665 3.861 -29.124 -9.251 1065 HB2 LYS 665 2HB LYS 665 1.661 -28.543 -8.336 1066 HB3 LYS 665 3HB LYS 665 2.498 -29.835 -7.504 1067 HG2 LYS 665 2HG LYS 665 1.395 -28.526 -5.864 1068 HG3 LYS 665 3HG LYS 665 3.114 -28.300 -5.674 1069 HD2 LYS 665 2HD LYS 665 2.026 -26.232 -5.290 1070 HD3 LYS 665 3HD LYS 665 2.926 -26.050 -6.789 1071 HE2 LYS 665 2HE LYS 665 0.858 -26.397 -8.104 1072 HE3 LYS 665 3HE LYS 665 -0.038 -26.781 -6.626 1073 HZ1 LYS 665 3HZ LYS 665 -0.469 -24.529 -7.254 1074 HZ2 LYS 665 1HZ LYS 665 1.109 -24.146 -7.334 1075 HZ3 LYS 665 2HZ LYS 665 0.442 -24.497 -5.862 1076 H LYS 666 H LYS 666 5.746 -26.722 -8.556 1077 HA LYS 666 HA LYS 666 4.405 -24.323 -9.282 1078 HB2 LYS 666 2HB LYS 666 6.648 -24.591 -8.221 1079 HB3 LYS 666 3HB LYS 666 7.293 -25.124 -9.778 1080 HG2 LYS 666 2HG LYS 666 6.656 -22.860 -10.715 1081 HG3 LYS 666 3HG LYS 666 6.119 -22.386 -9.102 1082 HD2 LYS 666 2HD LYS 666 8.363 -22.660 -8.226 1083 HD3 LYS 666 3HD LYS 666 8.906 -23.425 -9.729 1084 HE2 LYS 666 2HE LYS 666 8.793 -21.378 -10.941 1085 HE3 LYS 666 3HE LYS 666 7.967 -20.541 -9.615 1086 HZ1 LYS 666 3HZ LYS 666 10.481 -20.190 -9.765 1087 HZ2 LYS 666 1HZ LYS 666 10.630 -21.757 -9.246 1088 HZ3 LYS 666 2HZ LYS 666 9.908 -20.679 -8.289 1089 H ASN 667 H ASN 667 4.168 -23.191 -11.209 1090 HA ASN 667 HA ASN 667 4.052 -24.680 -13.711 1091 HB2 ASN 667 2HB ASN 667 2.491 -22.799 -13.045 1092 HB3 ASN 667 3HB ASN 667 3.834 -21.668 -13.273 1093 HD21 ASN 667 HD21 ASN 667 1.988 -24.246 -14.921 1094 HD22 ASN 667 HD22 ASN 667 2.139 -23.542 -16.539 1095 H SER 668 H SER 668 5.318 -24.254 -15.611 1096 HA SER 668 HA SER 668 8.137 -23.897 -15.127 1097 HB2 SER 668 2HB SER 668 6.618 -24.051 -17.745 1098 HB3 SER 668 3HB SER 668 8.366 -24.280 -17.506 1099 HG SER 668 HG SER 668 7.334 -26.278 -17.499 1100 H ILE 669 H ILE 669 9.384 -22.436 -16.871 1101 HA ILE 669 HA ILE 669 9.367 -19.945 -15.694 1102 HB ILE 669 HB ILE 669 11.018 -19.261 -17.259 1103 HG12 ILE 669 2HG1 ILE 669 10.377 -21.650 -19.041 1104 HG13 ILE 669 3HG1 ILE 669 9.858 -19.997 -19.375 1105 HG21 ILE 669 1HG2 ILE 669 11.359 -22.254 -16.799 1106 HG22 ILE 669 2HG2 ILE 669 12.626 -21.042 -16.949 1107 HG23 ILE 669 3HG2 ILE 669 11.560 -21.011 -15.543 1108 HD11 ILE 669 3HD1 ILE 669 12.260 -19.257 -19.309 1109 HD12 ILE 669 1HD1 ILE 669 12.726 -20.971 -19.247 1110 HD13 ILE 669 2HD1 ILE 669 11.845 -20.340 -20.643 1111 H LEU 670 H LEU 670 9.277 -17.738 -16.627 1112 HA LEU 670 HA LEU 670 6.708 -17.315 -18.001 1113 HB2 LEU 670 2HB LEU 670 7.082 -16.650 -15.623 1114 HB3 LEU 670 3HB LEU 670 8.422 -15.624 -16.137 1115 HG LEU 670 HG LEU 670 6.886 -14.253 -17.451 1116 HD11 LEU 670 1HD1 LEU 670 5.085 -15.797 -18.007 1117 HD12 LEU 670 2HD1 LEU 670 4.382 -14.549 -16.990 1118 HD13 LEU 670 3HD1 LEU 670 4.773 -16.123 -16.285 1119 HD21 LEU 670 3HD2 LEU 670 7.391 -13.656 -15.109 1120 HD22 LEU 670 1HD2 LEU 670 6.004 -14.621 -14.557 1121 HD23 LEU 670 2HD2 LEU 670 5.747 -13.168 -15.548 1122 H LEU 671 H LEU 671 6.500 -15.860 -19.751 1123 HA LEU 671 HA LEU 671 8.799 -15.643 -21.451 1124 HB2 LEU 671 2HB LEU 671 6.598 -16.177 -22.260 1125 HB3 LEU 671 3HB LEU 671 5.971 -14.619 -21.730 1126 HG LEU 671 HG LEU 671 7.314 -13.465 -23.434 1127 HD11 LEU 671 1HD1 LEU 671 9.276 -15.049 -23.638 1128 HD12 LEU 671 2HD1 LEU 671 8.511 -14.713 -25.183 1129 HD13 LEU 671 3HD1 LEU 671 8.185 -16.242 -24.358 1130 HD21 LEU 671 3HD2 LEU 671 5.742 -15.813 -24.556 1131 HD22 LEU 671 1HD2 LEU 671 6.088 -14.284 -25.378 1132 HD23 LEU 671 2HD2 LEU 671 5.044 -14.297 -23.952 1133 H HIS 672 H HIS 672 9.570 -13.836 -22.517 1134 HA HIS 672 HA HIS 672 10.742 -11.971 -20.806 1135 HB2 HIS 672 2HB HIS 672 11.696 -13.158 -22.788 1136 HB3 HIS 672 3HB HIS 672 10.716 -12.148 -23.840 1137 HD1 HIS 672 1HD HIS 672 13.161 -11.273 -20.936 1138 HD2 HIS 672 2HD HIS 672 12.081 -10.198 -24.859 1139 HE1 HIS 672 1HE HIS 672 14.695 -9.329 -21.592 Start of MODEL 4 1 H ASN 534 H ASN 534 8.301 13.705 7.431 2 HA ASN 534 HA ASN 534 6.444 13.928 5.313 3 HB2 ASN 534 2HB ASN 534 9.415 13.260 5.302 4 HB3 ASN 534 3HB ASN 534 8.480 13.527 3.832 5 HD21 ASN 534 HD21 ASN 534 7.165 15.645 3.777 6 HD22 ASN 534 HD22 ASN 534 8.051 17.053 4.397 7 H CYS 535 H CYS 535 6.101 12.711 3.441 8 HA CYS 535 HA CYS 535 4.770 10.359 3.882 9 HB2 CYS 535 2HB CYS 535 4.587 11.991 1.951 10 HB3 CYS 535 3HB CYS 535 5.986 11.188 1.221 11 HG CYS 535 HG CYS 535 2.934 10.122 1.887 12 H ARG 536 H ARG 536 8.205 10.494 2.874 13 HA ARG 536 HA ARG 536 8.704 7.772 2.382 14 HB2 ARG 536 2HB ARG 536 10.991 8.191 2.989 15 HB3 ARG 536 3HB ARG 536 10.355 9.597 2.139 16 HG2 ARG 536 2HG ARG 536 10.061 10.775 4.330 17 HG3 ARG 536 3HG ARG 536 10.727 9.355 5.164 18 HD2 ARG 536 2HD ARG 536 12.844 9.605 3.896 19 HD3 ARG 536 3HD ARG 536 12.184 11.046 3.099 20 HE ARG 536 HE ARG 536 12.067 11.247 6.000 21 HH11 ARG 536 1HH1 ARG 536 14.473 11.523 3.384 22 HH12 ARG 536 2HH1 ARG 536 15.360 12.726 4.318 23 HH21 ARG 536 1HH2 ARG 536 13.404 12.776 7.035 24 HH22 ARG 536 2HH2 ARG 536 14.826 13.342 6.156 25 H LYS 537 H LYS 537 7.993 9.130 5.583 26 HA LYS 537 HA LYS 537 8.716 6.727 7.041 27 HB2 LYS 537 2HB LYS 537 8.622 9.006 8.031 28 HB3 LYS 537 3HB LYS 537 6.889 9.083 7.728 29 HG2 LYS 537 2HG LYS 537 7.426 8.600 10.084 30 HG3 LYS 537 3HG LYS 537 6.463 7.313 9.350 31 HD2 LYS 537 2HD LYS 537 8.465 5.906 9.089 32 HD3 LYS 537 3HD LYS 537 9.494 7.241 9.601 33 HE2 LYS 537 2HE LYS 537 9.246 5.629 11.400 34 HE3 LYS 537 3HE LYS 537 8.523 7.172 11.860 35 HZ1 LYS 537 3HZ LYS 537 6.342 6.243 11.496 36 HZ2 LYS 537 1HZ LYS 537 7.201 5.190 12.430 37 HZ3 LYS 537 2HZ LYS 537 6.950 4.867 10.831 38 H LEU 538 H LEU 538 5.869 7.732 5.260 39 HA LEU 538 HA LEU 538 4.054 5.891 6.623 40 HB2 LEU 538 2HB LEU 538 3.592 7.440 4.047 41 HB3 LEU 538 3HB LEU 538 2.386 6.733 5.115 42 HG LEU 538 HG LEU 538 4.162 9.118 5.768 43 HD11 LEU 538 1HD1 LEU 538 1.161 8.892 5.292 44 HD12 LEU 538 2HD1 LEU 538 2.340 9.564 4.146 45 HD13 LEU 538 3HD1 LEU 538 2.059 10.372 5.698 46 HD21 LEU 538 3HD2 LEU 538 1.979 7.772 7.414 47 HD22 LEU 538 1HD2 LEU 538 2.731 9.334 7.792 48 HD23 LEU 538 2HD2 LEU 538 3.707 7.863 7.829 49 H VAL 539 H VAL 539 5.440 6.042 3.289 50 HA VAL 539 HA VAL 539 4.443 3.493 2.447 51 HB VAL 539 HB VAL 539 5.570 5.484 1.137 52 HG11 VAL 539 1HG1 VAL 539 7.730 4.824 0.198 53 HG12 VAL 539 2HG1 VAL 539 7.868 5.136 1.945 54 HG13 VAL 539 3HG1 VAL 539 7.825 3.466 1.313 55 HG21 VAL 539 3HG2 VAL 539 4.280 3.784 0.125 56 HG22 VAL 539 1HG2 VAL 539 5.813 3.854 -0.762 57 HG23 VAL 539 2HG2 VAL 539 5.515 2.549 0.416 58 H ALA 540 H ALA 540 7.344 4.280 4.271 59 HA ALA 540 HA ALA 540 8.580 1.727 4.290 60 HB1 ALA 540 1HB ALA 540 8.660 3.976 6.335 61 HB2 ALA 540 2HB ALA 540 9.878 2.713 6.105 62 HB3 ALA 540 3HB ALA 540 9.633 3.916 4.833 63 H SER 541 H SER 541 5.541 2.250 5.502 64 HA SER 541 HA SER 541 5.747 1.120 8.179 65 HB2 SER 541 2HB SER 541 4.095 2.816 7.650 66 HB3 SER 541 3HB SER 541 3.435 1.763 6.393 67 HG SER 541 HG SER 541 2.270 1.763 8.381 68 H MET 542 H MET 542 5.052 0.113 4.904 69 HA MET 542 HA MET 542 3.960 -2.447 5.346 70 HB2 MET 542 2HB MET 542 5.504 -1.125 3.098 71 HB3 MET 542 3HB MET 542 4.988 -2.800 2.987 72 HG2 MET 542 2HG MET 542 2.615 -2.028 3.402 73 HG3 MET 542 3HG MET 542 3.211 -0.365 3.319 74 HE1 MET 542 3HE MET 542 2.782 -3.359 -0.182 75 HE2 MET 542 1HE MET 542 3.889 -3.725 1.155 76 HE3 MET 542 2HE MET 542 2.147 -3.554 1.466 77 HA PRO 543 HA PRO 543 7.752 -4.615 6.600 78 HB2 PRO 543 2HB PRO 543 6.959 -7.223 6.273 79 HB3 PRO 543 3HB PRO 543 6.419 -6.188 7.622 80 HG2 PRO 543 2HG PRO 543 4.961 -6.757 5.032 81 HG3 PRO 543 3HG PRO 543 4.318 -6.813 6.706 82 HD2 PRO 543 2HD PRO 543 3.961 -4.651 5.102 83 HD3 PRO 543 3HD PRO 543 4.254 -4.447 6.855 84 H LEU 544 H LEU 544 6.371 -4.711 3.442 85 HA LEU 544 HA LEU 544 8.538 -6.069 2.071 86 HB2 LEU 544 2HB LEU 544 6.263 -5.950 1.286 87 HB3 LEU 544 3HB LEU 544 6.290 -4.202 1.178 88 HG LEU 544 HG LEU 544 8.269 -5.801 -0.468 89 HD11 LEU 544 1HD1 LEU 544 5.329 -5.301 -1.070 90 HD12 LEU 544 2HD1 LEU 544 6.101 -6.885 -0.835 91 HD13 LEU 544 3HD1 LEU 544 6.527 -5.908 -2.252 92 HD21 LEU 544 3HD2 LEU 544 6.667 -3.238 -0.997 93 HD22 LEU 544 1HD2 LEU 544 7.875 -3.953 -2.074 94 HD23 LEU 544 2HD2 LEU 544 8.373 -3.281 -0.518 95 H PHE 545 H PHE 545 8.151 -2.857 3.358 96 HA PHE 545 HA PHE 545 10.589 -1.822 2.013 97 HB2 PHE 545 2HB PHE 545 8.293 -0.426 3.425 98 HB3 PHE 545 3HB PHE 545 9.744 0.377 2.874 99 HD1 PHE 545 1HD PHE 545 6.931 -1.720 1.448 100 HD2 PHE 545 2HD PHE 545 9.710 1.518 0.893 101 HE1 PHE 545 1HE PHE 545 5.606 -0.909 -0.480 102 HE2 PHE 545 2HE PHE 545 8.410 2.298 -1.070 103 HZ PHE 545 HZ PHE 545 6.280 1.171 -1.654 104 H ALA 546 H ALA 546 10.248 -3.679 4.520 105 HA ALA 546 HA ALA 546 10.702 -2.345 6.971 106 HB1 ALA 546 1HB ALA 546 11.519 -4.589 7.641 107 HB2 ALA 546 2HB ALA 546 10.041 -4.715 6.676 108 HB3 ALA 546 3HB ALA 546 11.626 -5.052 5.927 109 H ASN 547 H ASN 547 12.885 -3.321 4.454 110 HA ASN 547 HA ASN 547 15.346 -2.690 6.004 111 HB2 ASN 547 2HB ASN 547 14.299 -5.065 4.551 112 HB3 ASN 547 3HB ASN 547 15.877 -4.608 4.012 113 HD21 ASN 547 HD21 ASN 547 14.069 -5.921 6.737 114 HD22 ASN 547 HD22 ASN 547 15.540 -6.331 7.597 115 H ALA 548 H ALA 548 13.493 -1.582 3.560 116 HA ALA 548 HA ALA 548 15.055 -1.227 1.301 117 HB1 ALA 548 1HB ALA 548 12.568 -0.895 1.540 118 HB2 ALA 548 2HB ALA 548 12.884 0.636 2.391 119 HB3 ALA 548 3HB ALA 548 13.352 0.456 0.699 120 H ASP 549 H ASP 549 16.396 0.381 0.419 121 HA ASP 549 HA ASP 549 17.864 2.132 2.171 122 HB2 ASP 549 2HB ASP 549 18.780 1.205 0.057 123 HB3 ASP 549 3HB ASP 549 17.658 2.182 -0.869 124 HA PRO 550 HA PRO 550 14.697 5.198 2.576 125 HB2 PRO 550 2HB PRO 550 16.109 7.419 3.360 126 HB3 PRO 550 3HB PRO 550 15.832 5.988 4.400 127 HG2 PRO 550 2HG PRO 550 18.239 6.536 2.627 128 HG3 PRO 550 3HG PRO 550 18.240 6.151 4.388 129 HD2 PRO 550 2HD PRO 550 18.641 4.209 2.599 130 HD3 PRO 550 3HD PRO 550 17.506 3.902 3.950 131 H ASN 551 H ASN 551 17.103 5.495 0.145 132 HA ASN 551 HA ASN 551 15.994 8.028 -0.972 133 HB2 ASN 551 2HB ASN 551 18.395 6.411 -1.900 134 HB3 ASN 551 3HB ASN 551 17.889 7.987 -2.485 135 HD21 ASN 551 HD21 ASN 551 19.405 6.264 0.141 136 HD22 ASN 551 HD22 ASN 551 20.116 7.723 0.854 137 H PHE 552 H PHE 552 16.377 4.598 -1.657 138 HA PHE 552 HA PHE 552 15.077 4.479 -4.235 139 HB2 PHE 552 2HB PHE 552 16.303 2.570 -3.643 140 HB3 PHE 552 3HB PHE 552 15.744 2.587 -1.995 141 HD1 PHE 552 2HD PHE 552 14.498 1.878 -5.474 142 HD2 PHE 552 1HD PHE 552 14.085 1.190 -1.248 143 HE1 PHE 552 2HE PHE 552 12.784 0.124 -5.916 144 HE2 PHE 552 1HE PHE 552 12.396 -0.587 -1.695 145 HZ PHE 552 HZ PHE 552 11.760 -1.121 -4.037 146 H VAL 553 H VAL 553 13.819 4.105 -0.886 147 HA VAL 553 HA VAL 553 11.117 3.753 -1.704 148 HB VAL 553 HB VAL 553 10.405 4.050 0.499 149 HG11 VAL 553 1HG1 VAL 553 13.224 2.944 0.622 150 HG12 VAL 553 2HG1 VAL 553 11.833 2.462 1.617 151 HG13 VAL 553 3HG1 VAL 553 11.857 2.072 -0.125 152 HG21 VAL 553 3HG2 VAL 553 11.940 4.666 2.358 153 HG22 VAL 553 1HG2 VAL 553 13.093 5.244 1.152 154 HG23 VAL 553 2HG2 VAL 553 11.515 6.056 1.328 155 H THR 554 H THR 554 12.935 6.635 -1.138 156 HA THR 554 HA THR 554 10.702 8.518 -1.178 157 HB THR 554 HB THR 554 13.699 9.005 -1.324 158 HG1 THR 554 1HG THR 554 13.325 8.247 0.638 159 HG21 THR 554 1HG2 THR 554 11.305 10.837 -0.948 160 HG22 THR 554 2HG2 THR 554 12.551 10.926 -2.212 161 HG23 THR 554 3HG2 THR 554 12.982 11.311 -0.534 162 H ALA 555 H ALA 555 13.244 7.555 -3.548 163 HA ALA 555 HA ALA 555 12.631 9.492 -5.528 164 HB1 ALA 555 1HB ALA 555 13.797 6.665 -5.770 165 HB2 ALA 555 2HB ALA 555 13.872 7.907 -7.030 166 HB3 ALA 555 3HB ALA 555 14.718 8.164 -5.495 167 H MET 556 H MET 556 10.945 6.686 -4.560 168 HA MET 556 HA MET 556 9.468 6.066 -6.957 169 HB2 MET 556 2HB MET 556 10.113 4.648 -5.003 170 HB3 MET 556 3HB MET 556 8.910 5.494 -4.021 171 HG2 MET 556 2HG MET 556 7.134 4.686 -5.554 172 HG3 MET 556 3HG MET 556 8.348 3.799 -6.478 173 HE1 MET 556 3HE MET 556 10.179 3.030 -3.496 174 HE2 MET 556 1HE MET 556 9.697 1.330 -3.543 175 HE3 MET 556 2HE MET 556 10.184 2.169 -5.037 176 H LEU 557 H LEU 557 8.892 8.266 -4.243 177 HA LEU 557 HA LEU 557 5.995 8.379 -4.497 178 HB2 LEU 557 2HB LEU 557 7.759 10.305 -2.949 179 HB3 LEU 557 3HB LEU 557 6.110 9.799 -2.594 180 HG LEU 557 HG LEU 557 8.615 8.112 -2.288 181 HD11 LEU 557 1HD1 LEU 557 8.194 8.324 0.100 182 HD12 LEU 557 2HD1 LEU 557 6.787 9.366 -0.224 183 HD13 LEU 557 3HD1 LEU 557 8.421 9.914 -0.656 184 HD21 LEU 557 3HD2 LEU 557 7.180 6.467 -1.192 185 HD22 LEU 557 1HD2 LEU 557 6.593 6.716 -2.834 186 HD23 LEU 557 2HD2 LEU 557 5.744 7.472 -1.459 187 H THR 558 H THR 558 8.380 9.967 -6.275 188 HA THR 558 HA THR 558 7.700 12.626 -6.526 189 HB THR 558 HB THR 558 8.481 12.417 -8.927 190 HG1 THR 558 1HG THR 558 9.314 10.282 -9.402 191 HG21 THR 558 1HG2 THR 558 10.744 11.708 -8.366 192 HG22 THR 558 2HG2 THR 558 10.185 10.928 -6.875 193 HG23 THR 558 3HG2 THR 558 10.087 12.694 -7.053 194 H LYS 559 H LYS 559 5.916 9.968 -8.090 195 HA LYS 559 HA LYS 559 4.051 11.851 -9.426 196 HB2 LYS 559 2HB LYS 559 3.280 9.894 -10.623 197 HB3 LYS 559 3HB LYS 559 5.026 9.983 -10.707 198 HG2 LYS 559 2HG LYS 559 5.348 8.050 -9.553 199 HG3 LYS 559 3HG LYS 559 4.068 8.353 -8.397 200 HD2 LYS 559 2HD LYS 559 3.572 7.386 -11.240 201 HD3 LYS 559 3HD LYS 559 3.664 6.350 -9.800 202 HE2 LYS 559 2HE LYS 559 1.810 7.594 -8.757 203 HE3 LYS 559 3HE LYS 559 1.646 8.594 -10.205 204 HZ1 LYS 559 3HZ LYS 559 1.284 6.389 -11.429 205 HZ2 LYS 559 1HZ LYS 559 0.073 6.844 -10.415 206 HZ3 LYS 559 2HZ LYS 559 1.149 5.681 -9.974 207 H LEU 560 H LEU 560 4.010 10.949 -6.337 208 HA LEU 560 HA LEU 560 1.975 9.056 -6.233 209 HB2 LEU 560 2HB LEU 560 3.813 9.369 -4.621 210 HB3 LEU 560 3HB LEU 560 3.019 10.808 -3.971 211 HG LEU 560 HG LEU 560 1.211 9.430 -3.057 212 HD11 LEU 560 1HD1 LEU 560 2.624 7.260 -4.628 213 HD12 LEU 560 2HD1 LEU 560 0.919 7.719 -4.772 214 HD13 LEU 560 3HD1 LEU 560 1.443 6.882 -3.320 215 HD21 LEU 560 3HD2 LEU 560 2.433 8.192 -1.462 216 HD22 LEU 560 1HD2 LEU 560 3.582 9.435 -1.951 217 HD23 LEU 560 2HD2 LEU 560 3.720 7.772 -2.624 218 H LYS 561 H LYS 561 -0.083 8.945 -5.468 219 HA LYS 561 HA LYS 561 -1.682 11.429 -5.773 220 HB2 LYS 561 2HB LYS 561 -1.684 9.289 -7.490 221 HB3 LYS 561 3HB LYS 561 -2.914 8.775 -6.350 222 HG2 LYS 561 2HG LYS 561 -4.259 9.939 -7.753 223 HG3 LYS 561 3HG LYS 561 -3.813 11.304 -6.750 224 HD2 LYS 561 2HD LYS 561 -2.605 10.497 -9.429 225 HD3 LYS 561 3HD LYS 561 -3.681 11.862 -9.137 226 HE2 LYS 561 2HE LYS 561 -1.964 13.007 -7.813 227 HE3 LYS 561 3HE LYS 561 -0.884 11.607 -7.938 228 HZ1 LYS 561 3HZ LYS 561 -1.825 13.220 -10.249 229 HZ2 LYS 561 1HZ LYS 561 -0.835 11.923 -10.340 230 HZ3 LYS 561 2HZ LYS 561 -0.314 13.296 -9.596 231 H PHE 562 H PHE 562 -3.514 11.724 -4.650 232 HA PHE 562 HA PHE 562 -3.749 10.337 -2.012 233 HB2 PHE 562 2HB PHE 562 -2.648 12.360 -1.646 234 HB3 PHE 562 3HB PHE 562 -3.516 13.200 -2.914 235 HD1 PHE 562 1HD PHE 562 -4.002 11.733 0.494 236 HD2 PHE 562 2HD PHE 562 -5.382 14.519 -2.489 237 HE1 PHE 562 1HE PHE 562 -5.537 12.740 2.141 238 HE2 PHE 562 2HE PHE 562 -6.920 15.547 -0.828 239 HZ PHE 562 HZ PHE 562 -6.996 14.677 1.490 240 H GLU 563 H GLU 563 -5.770 10.004 -1.138 241 HA GLU 563 HA GLU 563 -8.201 10.772 -2.665 242 HB2 GLU 563 2HB GLU 563 -7.297 7.931 -2.033 243 HB3 GLU 563 3HB GLU 563 -8.987 8.340 -2.352 244 HG2 GLU 563 2HG GLU 563 -8.484 9.133 -4.573 245 HG3 GLU 563 3HG GLU 563 -6.745 8.967 -4.305 246 H VAL 564 H VAL 564 -10.102 10.803 -1.454 247 HA VAL 564 HA VAL 564 -9.939 10.169 1.454 248 HB VAL 564 HB VAL 564 -11.440 12.569 0.357 249 HG11 VAL 564 1HG1 VAL 564 -11.622 13.308 2.496 250 HG12 VAL 564 2HG1 VAL 564 -12.209 11.662 2.545 251 HG13 VAL 564 3HG1 VAL 564 -10.583 12.013 3.177 252 HG21 VAL 564 3HG2 VAL 564 -8.632 12.379 1.459 253 HG22 VAL 564 1HG2 VAL 564 -9.152 13.093 -0.075 254 HG23 VAL 564 2HG2 VAL 564 -9.573 13.901 1.455 255 H PHE 565 H PHE 565 -11.688 9.305 2.405 256 HA PHE 565 HA PHE 565 -14.249 9.043 0.901 257 HB2 PHE 565 2HB PHE 565 -12.894 6.753 2.360 258 HB3 PHE 565 3HB PHE 565 -14.508 6.725 1.697 259 HD1 PHE 565 1HD PHE 565 -10.880 6.956 0.766 260 HD2 PHE 565 2HD PHE 565 -14.903 6.144 -0.568 261 HE1 PHE 565 1HE PHE 565 -9.990 5.963 -1.336 262 HE2 PHE 565 2HE PHE 565 -13.999 5.112 -2.644 263 HZ PHE 565 HZ PHE 565 -11.539 4.998 -3.008 264 H GLN 566 H GLN 566 -16.087 9.011 2.207 265 HA GLN 566 HA GLN 566 -15.773 10.185 4.911 266 HB2 GLN 566 2HB GLN 566 -17.950 9.985 2.798 267 HB3 GLN 566 3HB GLN 566 -18.384 10.329 4.451 268 HG2 GLN 566 2HG GLN 566 -18.224 12.385 3.273 269 HG3 GLN 566 3HG GLN 566 -17.017 12.299 4.557 270 HE21 GLN 566 HE21 GLN 566 -14.823 12.589 3.974 271 HE22 GLN 566 HE22 GLN 566 -14.327 12.599 2.296 272 HA PRO 567 HA PRO 567 -16.614 6.910 7.439 273 HB2 PRO 567 2HB PRO 567 -19.161 7.952 8.613 274 HB3 PRO 567 3HB PRO 567 -17.619 7.534 9.410 275 HG2 PRO 567 2HG PRO 567 -18.409 10.138 8.954 276 HG3 PRO 567 3HG PRO 567 -16.702 9.641 8.922 277 HD2 PRO 567 2HD PRO 567 -18.528 10.196 6.638 278 HD3 PRO 567 3HD PRO 567 -16.779 10.499 6.796 279 H GLY 568 H GLY 568 -17.181 4.868 6.950 280 HA2 GLY 568 2HA GLY 568 -18.703 3.077 7.143 281 HA3 GLY 568 3HA GLY 568 -20.025 4.116 6.608 282 H ASP 569 H ASP 569 -17.687 5.001 4.489 283 HA ASP 569 HA ASP 569 -19.046 3.515 2.508 284 HB2 ASP 569 2HB ASP 569 -18.469 5.996 2.513 285 HB3 ASP 569 3HB ASP 569 -16.828 5.533 2.062 286 H TYR 570 H TYR 570 -18.394 1.821 1.318 287 HA TYR 570 HA TYR 570 -15.993 0.353 1.951 288 HB2 TYR 570 2HB TYR 570 -18.112 0.013 -0.156 289 HB3 TYR 570 3HB TYR 570 -16.650 -0.968 -0.165 290 HD1 TYR 570 HD1 TYR 570 -16.101 -2.516 1.669 291 HD2 TYR 570 HD2 TYR 570 -19.817 -0.332 1.583 292 HE1 TYR 570 HE1 TYR 570 -17.040 -4.052 3.390 293 HE2 TYR 570 HE2 TYR 570 -20.755 -1.867 3.305 294 HH TYR 570 HH TYR 570 -18.829 -4.539 4.721 295 H ILE 571 H ILE 571 -14.005 0.903 1.473 296 HA ILE 571 HA ILE 571 -13.425 2.946 -0.496 297 HB ILE 571 HB ILE 571 -11.119 2.725 0.297 298 HG12 ILE 571 2HG1 ILE 571 -12.042 0.796 2.463 299 HG13 ILE 571 3HG1 ILE 571 -11.450 0.176 0.926 300 HG21 ILE 571 1HG2 ILE 571 -12.648 4.236 1.456 301 HG22 ILE 571 2HG2 ILE 571 -13.160 2.938 2.545 302 HG23 ILE 571 3HG2 ILE 571 -11.489 3.529 2.593 303 HD11 ILE 571 3HD1 ILE 571 -9.891 1.970 2.770 304 HD12 ILE 571 1HD1 ILE 571 -9.613 0.250 2.426 305 HD13 ILE 571 2HD1 ILE 571 -9.390 1.453 1.135 306 H ILE 572 H ILE 572 -13.123 -0.533 -0.527 307 HA ILE 572 HA ILE 572 -11.670 -0.467 -3.120 308 HB ILE 572 HB ILE 572 -11.266 -2.187 -0.656 309 HG12 ILE 572 2HG1 ILE 572 -9.419 -0.492 -2.394 310 HG13 ILE 572 3HG1 ILE 572 -10.099 0.022 -0.880 311 HG21 ILE 572 1HG2 ILE 572 -9.656 -3.551 -1.933 312 HG22 ILE 572 2HG2 ILE 572 -11.276 -3.754 -2.579 313 HG23 ILE 572 3HG2 ILE 572 -10.107 -2.704 -3.428 314 HD11 ILE 572 3HD1 ILE 572 -8.887 -1.781 0.323 315 HD12 ILE 572 1HD1 ILE 572 -8.044 -2.175 -1.202 316 HD13 ILE 572 2HD1 ILE 572 -7.852 -0.579 -0.465 317 H ARG 573 H ARG 573 -12.256 -1.833 -4.689 318 HA ARG 573 HA ARG 573 -14.203 -4.016 -4.139 319 HB2 ARG 573 2HB ARG 573 -15.381 -2.137 -5.246 320 HB3 ARG 573 3HB ARG 573 -14.248 -2.192 -6.587 321 HG2 ARG 573 2HG ARG 573 -16.108 -4.488 -5.806 322 HG3 ARG 573 3HG ARG 573 -16.500 -3.227 -6.978 323 HD2 ARG 573 2HD ARG 573 -14.404 -3.940 -8.261 324 HD3 ARG 573 3HD ARG 573 -14.380 -5.377 -7.214 325 HE ARG 573 HE ARG 573 -16.860 -4.767 -8.723 326 HH11 ARG 573 1HH1 ARG 573 -13.868 -6.622 -8.940 327 HH12 ARG 573 2HH1 ARG 573 -14.705 -7.881 -9.863 328 HH21 ARG 573 1HH2 ARG 573 -17.714 -6.435 -9.990 329 HH22 ARG 573 2HH2 ARG 573 -16.626 -7.747 -10.441 330 H GLU 574 H GLU 574 -12.838 -5.663 -4.109 331 HA GLU 574 HA GLU 574 -10.778 -5.938 -6.227 332 HB2 GLU 574 2HB GLU 574 -10.076 -6.151 -3.921 333 HB3 GLU 574 3HB GLU 574 -11.204 -7.480 -3.666 334 HG2 GLU 574 2HG GLU 574 -8.936 -8.297 -3.913 335 HG3 GLU 574 3HG GLU 574 -9.945 -8.885 -5.225 336 H GLY 575 H GLY 575 -10.438 -7.836 -7.327 337 HA2 GLY 575 2HA GLY 575 -11.627 -10.131 -7.845 338 HA3 GLY 575 3HA GLY 575 -12.873 -9.054 -8.493 339 H THR 576 H THR 576 -9.503 -7.993 -8.784 340 HA THR 576 HA THR 576 -9.631 -8.528 -11.718 341 HB THR 576 HB THR 576 -10.737 -6.420 -11.202 342 HG1 THR 576 1HG THR 576 -9.532 -6.694 -13.138 343 HG21 THR 576 1HG2 THR 576 -9.437 -5.731 -9.202 344 HG22 THR 576 2HG2 THR 576 -9.501 -4.465 -10.439 345 HG23 THR 576 3HG2 THR 576 -8.022 -5.431 -10.238 346 H ILE 577 H ILE 577 -7.664 -7.681 -12.867 347 HA ILE 577 HA ILE 577 -5.213 -8.558 -11.439 348 HB ILE 577 HB ILE 577 -5.881 -8.538 -14.407 349 HG12 ILE 577 2HG1 ILE 577 -5.502 -11.032 -14.096 350 HG13 ILE 577 3HG1 ILE 577 -5.662 -10.804 -12.366 351 HG21 ILE 577 1HG2 ILE 577 -3.475 -8.134 -14.094 352 HG22 ILE 577 2HG2 ILE 577 -3.367 -9.487 -12.946 353 HG23 ILE 577 3HG2 ILE 577 -3.727 -9.773 -14.659 354 HD11 ILE 577 3HD1 ILE 577 -8.030 -10.238 -12.675 355 HD12 ILE 577 1HD1 ILE 577 -7.800 -10.137 -14.442 356 HD13 ILE 577 2HD1 ILE 577 -7.672 -11.690 -13.603 357 H GLY 578 H GLY 578 -3.643 -7.190 -11.018 358 HA2 GLY 578 2HA GLY 578 -1.977 -5.649 -11.499 359 HA3 GLY 578 3HA GLY 578 -2.919 -4.953 -12.812 360 H LYS 579 H LYS 579 -4.131 -5.485 -9.509 361 HA LYS 579 HA LYS 579 -5.123 -2.772 -9.276 362 HB2 LYS 579 2HB LYS 579 -6.263 -4.714 -8.392 363 HB3 LYS 579 3HB LYS 579 -5.011 -4.888 -7.150 364 HG2 LYS 579 2HG LYS 579 -5.584 -2.819 -6.126 365 HG3 LYS 579 3HG LYS 579 -6.477 -2.231 -7.530 366 HD2 LYS 579 2HD LYS 579 -7.336 -4.675 -6.030 367 HD3 LYS 579 3HD LYS 579 -7.791 -3.059 -5.463 368 HE2 LYS 579 2HE LYS 579 -8.381 -4.007 -8.281 369 HE3 LYS 579 3HE LYS 579 -9.472 -4.389 -6.944 370 HZ1 LYS 579 3HZ LYS 579 -10.142 -2.346 -8.109 371 HZ2 LYS 579 1HZ LYS 579 -8.706 -1.635 -7.761 372 HZ3 LYS 579 2HZ LYS 579 -9.756 -1.987 -6.569 373 H LYS 580 H LYS 580 -4.457 -1.088 -8.008 374 HA LYS 580 HA LYS 580 -1.600 -0.880 -7.371 375 HB2 LYS 580 2HB LYS 580 -3.957 1.038 -7.102 376 HB3 LYS 580 3HB LYS 580 -2.295 1.470 -6.720 377 HG2 LYS 580 2HG LYS 580 -1.631 0.948 -9.074 378 HG3 LYS 580 3HG LYS 580 -3.323 0.674 -9.479 379 HD2 LYS 580 2HD LYS 580 -2.332 3.230 -8.168 380 HD3 LYS 580 3HD LYS 580 -2.347 3.049 -9.925 381 HE2 LYS 580 2HE LYS 580 -4.904 2.405 -8.479 382 HE3 LYS 580 3HE LYS 580 -4.420 4.101 -8.507 383 HZ1 LYS 580 3HZ LYS 580 -4.358 4.025 -10.911 384 HZ2 LYS 580 1HZ LYS 580 -5.828 3.531 -10.407 385 HZ3 LYS 580 2HZ LYS 580 -4.736 2.421 -10.926 386 H MET 581 H MET 581 -1.029 0.396 -5.322 387 HA MET 581 HA MET 581 -1.934 -1.222 -2.992 388 HB2 MET 581 2HB MET 581 0.501 -1.053 -3.451 389 HB3 MET 581 3HB MET 581 0.409 0.709 -3.313 390 HG2 MET 581 2HG MET 581 1.266 -0.278 -1.245 391 HG3 MET 581 3HG MET 581 -0.278 0.522 -0.965 392 HE1 MET 581 3HE MET 581 -1.004 -2.193 1.576 393 HE2 MET 581 1HE MET 581 0.492 -1.269 1.411 394 HE3 MET 581 2HE MET 581 -1.058 -0.456 1.159 395 H TYR 582 H TYR 582 -3.069 -0.342 -1.271 396 HA TYR 582 HA TYR 582 -3.489 2.602 -1.241 397 HB2 TYR 582 2HB TYR 582 -5.724 0.601 -0.789 398 HB3 TYR 582 3HB TYR 582 -5.802 2.331 -0.590 399 HD1 TYR 582 HD1 TYR 582 -5.269 -0.328 -3.190 400 HD2 TYR 582 HD2 TYR 582 -6.248 3.798 -2.377 401 HE1 TYR 582 HE1 TYR 582 -5.760 0.035 -5.598 402 HE2 TYR 582 HE2 TYR 582 -6.754 4.148 -4.774 403 HH TYR 582 HH TYR 582 -6.593 3.291 -6.851 404 H PHE 583 H PHE 583 -3.280 3.575 0.623 405 HA PHE 583 HA PHE 583 -3.341 2.124 3.151 406 HB2 PHE 583 2HB PHE 583 -0.860 2.485 3.589 407 HB3 PHE 583 3HB PHE 583 -1.402 1.270 2.523 408 HD1 PHE 583 1HD PHE 583 -1.228 4.362 0.617 409 HD2 PHE 583 2HD PHE 583 1.057 1.108 2.292 410 HE1 PHE 583 1HE PHE 583 0.414 4.557 -1.207 411 HE2 PHE 583 2HE PHE 583 2.795 1.442 0.572 412 HZ PHE 583 HZ PHE 583 2.491 3.150 -1.182 413 H ILE 584 H ILE 584 -2.569 3.515 5.041 414 HA ILE 584 HA ILE 584 -4.562 5.668 4.710 415 HB ILE 584 HB ILE 584 -3.635 4.353 7.308 416 HG12 ILE 584 2HG1 ILE 584 -5.840 3.490 5.396 417 HG13 ILE 584 3HG1 ILE 584 -4.383 2.588 5.811 418 HG21 ILE 584 1HG2 ILE 584 -4.955 6.570 7.393 419 HG22 ILE 584 2HG2 ILE 584 -6.290 5.747 6.563 420 HG23 ILE 584 3HG2 ILE 584 -5.768 5.216 8.167 421 HD11 ILE 584 3HD1 ILE 584 -6.765 3.140 7.555 422 HD12 ILE 584 1HD1 ILE 584 -6.012 1.586 7.104 423 HD13 ILE 584 2HD1 ILE 584 -5.195 2.656 8.233 424 H GLN 585 H GLN 585 -3.744 7.698 4.292 425 HA GLN 585 HA GLN 585 -1.306 8.718 5.472 426 HB2 GLN 585 2HB GLN 585 -2.294 9.474 3.341 427 HB3 GLN 585 3HB GLN 585 -3.683 10.143 4.178 428 HG2 GLN 585 2HG GLN 585 -0.890 11.102 4.860 429 HG3 GLN 585 3HG GLN 585 -1.693 11.657 3.400 430 HE21 GLN 585 HE21 GLN 585 -1.500 12.146 6.839 431 HE22 GLN 585 HE22 GLN 585 -2.710 13.431 6.845 432 H HIS 586 H HIS 586 -4.786 9.148 6.248 433 HA HIS 586 HA HIS 586 -4.182 9.379 9.109 434 HB2 HIS 586 2HB HIS 586 -3.886 11.696 8.259 435 HB3 HIS 586 3HB HIS 586 -5.523 11.686 7.636 436 HD1 HIS 586 1HD HIS 586 -3.590 12.188 10.861 437 HD2 HIS 586 2HD HIS 586 -7.547 11.787 9.463 438 HE1 HIS 586 1HE HIS 586 -5.110 12.891 12.784 439 H GLY 587 H GLY 587 -5.903 8.417 10.313 440 HA2 GLY 587 2HA GLY 587 -8.347 9.044 10.682 441 HA3 GLY 587 3HA GLY 587 -8.613 8.350 9.081 442 H VAL 588 H VAL 588 -9.884 6.675 9.768 443 HA VAL 588 HA VAL 588 -8.432 4.400 10.822 444 HB VAL 588 HB VAL 588 -11.118 5.233 12.021 445 HG11 VAL 588 1HG1 VAL 588 -10.872 2.755 11.942 446 HG12 VAL 588 2HG1 VAL 588 -9.329 2.898 12.811 447 HG13 VAL 588 3HG1 VAL 588 -10.851 3.372 13.586 448 HG21 VAL 588 3HG2 VAL 588 -8.381 5.183 13.341 449 HG22 VAL 588 1HG2 VAL 588 -9.380 6.623 13.011 450 HG23 VAL 588 2HG2 VAL 588 -9.925 5.430 14.179 451 H VAL 589 H VAL 589 -9.337 2.410 10.029 452 HA VAL 589 HA VAL 589 -11.714 2.535 8.209 453 HB VAL 589 HB VAL 589 -10.756 0.742 6.841 454 HG11 VAL 589 1HG1 VAL 589 -10.648 3.130 6.142 455 HG12 VAL 589 2HG1 VAL 589 -9.019 3.234 6.831 456 HG13 VAL 589 3HG1 VAL 589 -9.364 2.138 5.469 457 HG21 VAL 589 3HG2 VAL 589 -8.160 1.309 8.305 458 HG22 VAL 589 1HG2 VAL 589 -9.117 -0.176 8.428 459 HG23 VAL 589 2HG2 VAL 589 -8.364 0.238 6.897 460 H SER 590 H SER 590 -12.906 0.563 8.070 461 HA SER 590 HA SER 590 -12.584 -1.337 10.369 462 HB2 SER 590 2HB SER 590 -15.257 -1.136 9.012 463 HB3 SER 590 3HB SER 590 -14.882 -1.569 10.668 464 HG SER 590 HG SER 590 -14.653 0.768 11.053 465 H VAL 591 H VAL 591 -12.192 -3.256 9.723 466 HA VAL 591 HA VAL 591 -11.693 -3.641 6.808 467 HB VAL 591 HB VAL 591 -9.904 -2.364 7.749 468 HG11 VAL 591 1HG1 VAL 591 -8.771 -3.086 9.928 469 HG12 VAL 591 2HG1 VAL 591 -10.407 -2.490 10.072 470 HG13 VAL 591 3HG1 VAL 591 -10.090 -4.281 10.072 471 HG21 VAL 591 3HG2 VAL 591 -8.050 -3.722 8.020 472 HG22 VAL 591 1HG2 VAL 591 -9.023 -5.137 8.480 473 HG23 VAL 591 2HG2 VAL 591 -9.058 -4.527 6.763 474 H LEU 592 H LEU 592 -11.281 -5.787 6.212 475 HA LEU 592 HA LEU 592 -11.190 -7.738 8.457 476 HB2 LEU 592 2HB LEU 592 -12.165 -8.328 5.618 477 HB3 LEU 592 3HB LEU 592 -12.112 -9.450 6.948 478 HG LEU 592 HG LEU 592 -14.337 -8.950 6.374 479 HD11 LEU 592 1HD1 LEU 592 -13.749 -9.285 8.780 480 HD12 LEU 592 2HD1 LEU 592 -15.281 -8.437 8.492 481 HD13 LEU 592 3HD1 LEU 592 -13.850 -7.511 8.971 482 HD21 LEU 592 3HD2 LEU 592 -14.094 -6.023 7.121 483 HD22 LEU 592 1HD2 LEU 592 -15.504 -6.892 6.530 484 HD23 LEU 592 2HD2 LEU 592 -14.130 -6.642 5.459 485 H THR 593 H THR 593 -9.100 -8.691 8.521 486 HA THR 593 HA THR 593 -7.479 -8.390 6.037 487 HB THR 593 HB THR 593 -5.782 -9.749 7.530 488 HG1 THR 593 1HG THR 593 -5.999 -9.081 9.661 489 HG21 THR 593 1HG2 THR 593 -5.429 -7.527 6.592 490 HG22 THR 593 2HG2 THR 593 -4.964 -7.516 8.296 491 HG23 THR 593 3HG2 THR 593 -6.526 -6.801 7.791 492 H LYS 594 H LYS 594 -6.968 -9.884 4.589 493 HA LYS 594 HA LYS 594 -8.441 -12.350 4.484 494 HB2 LYS 594 2HB LYS 594 -7.124 -12.969 2.580 495 HB3 LYS 594 3HB LYS 594 -7.751 -11.344 2.412 496 HG2 LYS 594 2HG LYS 594 -4.929 -11.781 3.423 497 HG3 LYS 594 3HG LYS 594 -5.290 -11.964 1.711 498 HD2 LYS 594 2HD LYS 594 -6.179 -9.689 1.579 499 HD3 LYS 594 3HD LYS 594 -5.801 -9.416 3.294 500 HE2 LYS 594 2HE LYS 594 -3.471 -9.579 2.952 501 HE3 LYS 594 3HE LYS 594 -3.663 -10.317 1.354 502 HZ1 LYS 594 3HZ LYS 594 -4.589 -8.221 0.550 503 HZ2 LYS 594 1HZ LYS 594 -3.078 -7.988 1.138 504 HZ3 LYS 594 2HZ LYS 594 -4.402 -7.517 2.018 505 H GLY 595 H GLY 595 -7.789 -14.460 4.732 506 HA2 GLY 595 2HA GLY 595 -6.777 -16.198 5.996 507 HA3 GLY 595 3HA GLY 595 -5.556 -15.036 6.575 508 H ASN 596 H ASN 596 -7.902 -13.141 7.336 509 HA ASN 596 HA ASN 596 -7.842 -14.256 10.097 510 HB2 ASN 596 2HB ASN 596 -6.984 -11.496 9.365 511 HB3 ASN 596 3HB ASN 596 -6.671 -12.355 10.790 512 HD21 ASN 596 HD21 ASN 596 -4.638 -10.998 9.768 513 HD22 ASN 596 HD22 ASN 596 -3.423 -12.156 9.275 514 H LYS 597 H LYS 597 -8.372 -11.475 11.054 515 HA LYS 597 HA LYS 597 -11.260 -12.023 11.200 516 HB2 LYS 597 2HB LYS 597 -9.273 -10.968 13.241 517 HB3 LYS 597 3HB LYS 597 -10.997 -10.907 13.504 518 HG2 LYS 597 2HG LYS 597 -10.198 -12.784 14.672 519 HG3 LYS 597 3HG LYS 597 -11.192 -13.345 13.343 520 HD2 LYS 597 2HD LYS 597 -9.205 -14.763 13.756 521 HD3 LYS 597 3HD LYS 597 -9.266 -14.148 12.127 522 HE2 LYS 597 2HE LYS 597 -6.989 -14.092 13.030 523 HE3 LYS 597 3HE LYS 597 -7.538 -12.466 12.627 524 HZ1 LYS 597 3HZ LYS 597 -7.707 -13.614 15.374 525 HZ2 LYS 597 1HZ LYS 597 -7.873 -12.020 14.966 526 HZ3 LYS 597 2HZ LYS 597 -6.409 -12.738 14.866 527 H GLU 598 H GLU 598 -12.673 -10.300 12.038 528 HA GLU 598 HA GLU 598 -12.346 -7.855 10.512 529 HB2 GLU 598 2HB GLU 598 -14.306 -6.988 11.565 530 HB3 GLU 598 3HB GLU 598 -14.607 -8.623 10.986 531 HG2 GLU 598 2HG GLU 598 -14.425 -9.509 13.280 532 HG3 GLU 598 3HG GLU 598 -14.143 -7.864 13.888 533 H MET 599 H MET 599 -11.394 -6.053 11.010 534 HA MET 599 HA MET 599 -10.711 -5.376 13.804 535 HB2 MET 599 2HB MET 599 -8.788 -5.179 11.513 536 HB3 MET 599 3HB MET 599 -8.493 -4.642 13.165 537 HG2 MET 599 2HG MET 599 -8.697 -6.951 13.986 538 HG3 MET 599 3HG MET 599 -8.994 -7.521 12.340 539 HE1 MET 599 3HE MET 599 -7.489 -6.939 10.389 540 HE2 MET 599 1HE MET 599 -6.683 -5.424 10.824 541 HE3 MET 599 2HE MET 599 -5.699 -6.856 10.477 542 H LYS 600 H LYS 600 -10.013 -3.110 14.010 543 HA LYS 600 HA LYS 600 -10.589 -1.452 11.704 544 HB2 LYS 600 2HB LYS 600 -10.434 -0.842 14.699 545 HB3 LYS 600 3HB LYS 600 -9.868 0.400 13.609 546 HG2 LYS 600 2HG LYS 600 -12.174 0.695 14.443 547 HG3 LYS 600 3HG LYS 600 -11.961 0.802 12.697 548 HD2 LYS 600 2HD LYS 600 -13.996 -0.345 13.023 549 HD3 LYS 600 3HD LYS 600 -12.810 -1.496 12.468 550 HE2 LYS 600 2HE LYS 600 -13.814 -2.715 14.154 551 HE3 LYS 600 3HE LYS 600 -12.473 -1.997 15.061 552 HZ1 LYS 600 3HZ LYS 600 -14.047 -0.287 15.848 553 HZ2 LYS 600 1HZ LYS 600 -14.709 -1.788 16.131 554 HZ3 LYS 600 2HZ LYS 600 -15.219 -0.894 14.876 555 H LEU 601 H LEU 601 -9.068 -0.107 10.975 556 HA LEU 601 HA LEU 601 -6.237 -0.578 11.821 557 HB2 LEU 601 2HB LEU 601 -7.321 -1.181 9.210 558 HB3 LEU 601 3HB LEU 601 -6.267 0.219 9.065 559 HG LEU 601 HG LEU 601 -4.456 -1.113 10.222 560 HD11 LEU 601 1HD1 LEU 601 -5.908 -2.808 11.304 561 HD12 LEU 601 2HD1 LEU 601 -4.765 -3.590 10.198 562 HD13 LEU 601 3HD1 LEU 601 -6.460 -3.348 9.704 563 HD21 LEU 601 3HD2 LEU 601 -3.924 -2.414 8.210 564 HD22 LEU 601 1HD2 LEU 601 -4.587 -0.841 7.742 565 HD23 LEU 601 2HD2 LEU 601 -5.601 -2.297 7.649 566 H SER 602 H SER 602 -4.875 1.190 11.732 567 HA SER 602 HA SER 602 -6.292 3.804 12.060 568 HB2 SER 602 2HB SER 602 -4.437 4.203 13.718 569 HB3 SER 602 3HB SER 602 -5.494 2.838 14.116 570 HG SER 602 HG SER 602 -3.021 2.602 14.148 571 H ASP 603 H ASP 603 -4.750 5.738 12.051 572 HA ASP 603 HA ASP 603 -3.685 6.215 9.487 573 HB2 ASP 603 2HB ASP 603 -2.682 8.204 10.489 574 HB3 ASP 603 3HB ASP 603 -4.341 7.977 11.045 575 H GLY 604 H GLY 604 -1.668 6.162 8.537 576 HA2 GLY 604 2HA GLY 604 0.547 5.589 8.245 577 HA3 GLY 604 3HA GLY 604 0.672 5.194 9.966 578 H SER 605 H SER 605 -1.946 3.501 8.899 579 HA SER 605 HA SER 605 -0.467 0.957 8.571 580 HB2 SER 605 2HB SER 605 -3.434 1.472 8.767 581 HB3 SER 605 3HB SER 605 -2.602 -0.101 8.954 582 HG SER 605 HG SER 605 -2.766 2.079 10.675 583 H TYR 606 H TYR 606 -1.642 -0.675 6.997 584 HA TYR 606 HA TYR 606 -2.317 0.626 4.422 585 HB2 TYR 606 2HB TYR 606 -0.433 -0.468 3.352 586 HB3 TYR 606 3HB TYR 606 0.176 0.493 4.676 587 HD1 TYR 606 HD1 TYR 606 -0.578 -2.913 3.462 588 HD2 TYR 606 HD2 TYR 606 1.194 -0.587 6.624 589 HE1 TYR 606 HE1 TYR 606 0.303 -4.967 4.415 590 HE2 TYR 606 HE2 TYR 606 2.113 -2.696 7.627 591 HH TYR 606 HH TYR 606 1.025 -5.855 6.470 592 H PHE 607 H PHE 607 -3.195 -0.846 2.730 593 HA PHE 607 HA PHE 607 -3.673 -3.637 3.522 594 HB2 PHE 607 2HB PHE 607 -6.206 -3.312 3.162 595 HB3 PHE 607 3HB PHE 607 -5.493 -2.831 4.680 596 HD1 PHE 607 1HD PHE 607 -6.077 -1.213 1.296 597 HD2 PHE 607 2HD PHE 607 -6.317 -0.868 5.591 598 HE1 PHE 607 1HE PHE 607 -6.963 1.082 1.074 599 HE2 PHE 607 2HE PHE 607 -7.229 1.437 5.321 600 HZ PHE 607 HZ PHE 607 -7.464 2.432 3.098 601 H GLY 608 H GLY 608 -5.205 -4.726 1.851 602 HA2 GLY 608 2HA GLY 608 -5.485 -5.449 -0.335 603 HA3 GLY 608 3HA GLY 608 -4.878 -3.907 -0.936 604 H GLU 609 H GLU 609 -4.244 -6.334 -2.110 605 HA GLU 609 HA GLU 609 -2.632 -7.627 -2.939 606 HB2 GLU 609 2HB GLU 609 -1.454 -4.963 -2.691 607 HB3 GLU 609 3HB GLU 609 -0.222 -6.202 -2.763 608 HG2 GLU 609 2HG GLU 609 -2.532 -6.198 -4.742 609 HG3 GLU 609 3HG GLU 609 -1.137 -5.136 -4.962 610 H ILE 610 H ILE 610 -0.513 -8.665 -2.824 611 HA ILE 610 HA ILE 610 0.233 -9.520 -0.038 612 HB ILE 610 HB ILE 610 -0.172 -11.151 -2.557 613 HG12 ILE 610 2HG1 ILE 610 -1.133 -11.565 0.269 614 HG13 ILE 610 3HG1 ILE 610 -2.086 -10.792 -0.997 615 HG21 ILE 610 1HG2 ILE 610 2.051 -11.820 -1.698 616 HG22 ILE 610 2HG2 ILE 610 1.354 -12.040 -0.076 617 HG23 ILE 610 3HG2 ILE 610 0.877 -13.085 -1.434 618 HD11 ILE 610 3HD1 ILE 610 -2.827 -13.058 -0.819 619 HD12 ILE 610 1HD1 ILE 610 -1.927 -12.911 -2.345 620 HD13 ILE 610 2HD1 ILE 610 -1.191 -13.699 -0.937 621 H CYS 611 H CYS 611 1.336 -9.016 -3.440 622 HA CYS 611 HA CYS 611 3.932 -8.067 -2.512 623 HB2 CYS 611 2HB CYS 611 4.282 -10.463 -2.232 624 HB3 CYS 611 3HB CYS 611 3.691 -10.781 -3.867 625 HG CYS 611 HG CYS 611 6.318 -11.076 -3.668 626 H LEU 612 H LEU 612 4.708 -6.660 -3.955 627 HA LEU 612 HA LEU 612 3.362 -5.846 -6.321 628 HB2 LEU 612 2HB LEU 612 6.007 -5.231 -5.008 629 HB3 LEU 612 3HB LEU 612 5.669 -4.670 -6.630 630 HG LEU 612 HG LEU 612 3.311 -3.920 -5.525 631 HD11 LEU 612 1HD1 LEU 612 3.684 -2.925 -3.319 632 HD12 LEU 612 2HD1 LEU 612 5.284 -3.691 -3.220 633 HD13 LEU 612 3HD1 LEU 612 3.802 -4.689 -3.237 634 HD21 LEU 612 3HD2 LEU 612 4.204 -1.721 -5.457 635 HD22 LEU 612 1HD2 LEU 612 5.032 -2.616 -6.740 636 HD23 LEU 612 2HD2 LEU 612 5.852 -2.359 -5.180 637 H LEU 613 H LEU 613 5.073 -8.645 -6.103 638 HA LEU 613 HA LEU 613 5.591 -8.738 -9.035 639 HB2 LEU 613 2HB LEU 613 7.205 -10.139 -6.859 640 HB3 LEU 613 3HB LEU 613 7.439 -10.268 -8.599 641 HG LEU 613 HG LEU 613 7.556 -7.551 -8.290 642 HD11 LEU 613 1HD1 LEU 613 9.016 -7.033 -6.378 643 HD12 LEU 613 2HD1 LEU 613 8.906 -8.713 -5.814 644 HD13 LEU 613 3HD1 LEU 613 7.470 -7.670 -5.803 645 HD21 LEU 613 3HD2 LEU 613 10.019 -7.786 -8.452 646 HD22 LEU 613 1HD2 LEU 613 9.199 -8.950 -9.503 647 HD23 LEU 613 2HD2 LEU 613 9.886 -9.490 -7.958 648 H THR 614 H THR 614 3.612 -9.916 -6.602 649 HA THR 614 HA THR 614 3.332 -12.607 -7.851 650 HB THR 614 HB THR 614 3.317 -12.398 -5.347 651 HG1 THR 614 1HG THR 614 1.749 -14.066 -5.284 652 HG21 THR 614 1HG2 THR 614 0.342 -11.872 -5.757 653 HG22 THR 614 2HG2 THR 614 1.462 -10.644 -5.160 654 HG23 THR 614 3HG2 THR 614 1.210 -12.128 -4.226 655 H ARG 615 H ARG 615 1.433 -13.416 -8.614 656 HA ARG 615 HA ARG 615 0.261 -11.678 -10.588 657 HB2 ARG 615 2HB ARG 615 -0.226 -14.578 -9.815 658 HB3 ARG 615 3HB ARG 615 -1.101 -13.792 -11.134 659 HG2 ARG 615 2HG ARG 615 1.038 -13.209 -12.242 660 HG3 ARG 615 3HG ARG 615 1.933 -14.048 -10.971 661 HD2 ARG 615 2HD ARG 615 -0.106 -15.333 -12.824 662 HD3 ARG 615 3HD ARG 615 1.637 -15.383 -13.056 663 HE ARG 615 HE ARG 615 1.848 -16.634 -10.934 664 HH11 ARG 615 1HH1 ARG 615 -1.488 -16.597 -12.144 665 HH12 ARG 615 2HH1 ARG 615 -1.850 -18.059 -11.262 666 HH21 ARG 615 1HH2 ARG 615 1.408 -18.631 -10.317 667 HH22 ARG 615 2HH2 ARG 615 -0.236 -19.233 -10.283 668 H GLY 616 H GLY 616 -1.939 -11.474 -11.145 669 HA2 GLY 616 2HA GLY 616 -3.425 -10.060 -9.159 670 HA3 GLY 616 3HA GLY 616 -3.957 -10.461 -10.793 671 H ARG 617 H ARG 617 -6.054 -10.543 -9.574 672 HA ARG 617 HA ARG 617 -7.791 -11.597 -8.516 673 HB2 ARG 617 2HB ARG 617 -6.361 -14.205 -9.186 674 HB3 ARG 617 3HB ARG 617 -7.999 -14.048 -8.590 675 HG2 ARG 617 2HG ARG 617 -7.036 -12.961 -11.266 676 HG3 ARG 617 3HG ARG 617 -7.897 -14.477 -10.992 677 HD2 ARG 617 2HD ARG 617 -9.708 -12.975 -9.810 678 HD3 ARG 617 3HD ARG 617 -8.907 -11.638 -10.649 679 HE ARG 617 HE ARG 617 -9.881 -12.351 -12.642 680 HH11 ARG 617 1HH1 ARG 617 -10.141 -15.186 -10.447 681 HH12 ARG 617 2HH1 ARG 617 -11.181 -15.957 -11.634 682 HH21 ARG 617 1HH2 ARG 617 -11.062 -13.572 -13.984 683 HH22 ARG 617 2HH2 ARG 617 -11.652 -15.152 -13.449 684 H ARG 618 H ARG 618 -6.042 -10.428 -6.902 685 HA ARG 618 HA ARG 618 -5.707 -12.062 -4.483 686 HB2 ARG 618 2HB ARG 618 -5.882 -9.051 -4.735 687 HB3 ARG 618 3HB ARG 618 -5.276 -9.936 -3.355 688 HG2 ARG 618 2HG ARG 618 -3.914 -9.762 -6.088 689 HG3 ARG 618 3HG ARG 618 -3.534 -8.821 -4.664 690 HD2 ARG 618 2HD ARG 618 -1.930 -10.369 -4.442 691 HD3 ARG 618 3HD ARG 618 -3.185 -11.191 -3.515 692 HE ARG 618 HE ARG 618 -2.340 -11.779 -6.350 693 HH11 ARG 618 1HH1 ARG 618 -4.008 -13.112 -3.481 694 HH12 ARG 618 2HH1 ARG 618 -4.062 -14.675 -4.294 695 HH21 ARG 618 1HH2 ARG 618 -2.614 -13.754 -7.162 696 HH22 ARG 618 2HH2 ARG 618 -3.353 -15.010 -6.187 697 H THR 619 H THR 619 -6.939 -11.260 -2.464 698 HA THR 619 HA THR 619 -9.761 -10.536 -3.106 699 HB THR 619 HB THR 619 -9.572 -12.961 -2.505 700 HG1 THR 619 1HG THR 619 -11.333 -12.783 -1.055 701 HG21 THR 619 1HG2 THR 619 -9.332 -13.625 -0.198 702 HG22 THR 619 2HG2 THR 619 -9.113 -11.945 0.335 703 HG23 THR 619 3HG2 THR 619 -7.869 -12.743 -0.655 704 H ALA 620 H ALA 620 -10.838 -9.155 -1.621 705 HA ALA 620 HA ALA 620 -9.450 -8.194 0.761 706 HB1 ALA 620 1HB ALA 620 -8.302 -6.884 -1.025 707 HB2 ALA 620 2HB ALA 620 -9.878 -6.265 -1.563 708 HB3 ALA 620 3HB ALA 620 -9.260 -5.849 0.047 709 H SER 621 H SER 621 -10.775 -7.138 2.210 710 HA SER 621 HA SER 621 -13.467 -6.154 1.416 711 HB2 SER 621 2HB SER 621 -12.977 -8.128 3.669 712 HB3 SER 621 3HB SER 621 -14.519 -7.338 3.296 713 HG SER 621 HG SER 621 -14.629 -8.456 1.393 714 H VAL 622 H VAL 622 -13.113 -3.977 1.959 715 HA VAL 622 HA VAL 622 -12.953 -3.384 4.807 716 HB VAL 622 HB VAL 622 -10.638 -3.581 4.577 717 HG11 VAL 622 1HG1 VAL 622 -10.291 -3.579 2.221 718 HG12 VAL 622 2HG1 VAL 622 -10.762 -1.868 2.094 719 HG13 VAL 622 3HG1 VAL 622 -9.268 -2.339 2.948 720 HG21 VAL 622 3HG2 VAL 622 -9.717 -1.440 5.086 721 HG22 VAL 622 1HG2 VAL 622 -11.101 -0.599 4.362 722 HG23 VAL 622 2HG2 VAL 622 -11.308 -1.581 5.834 723 H ARG 623 H ARG 623 -13.635 -1.394 5.455 724 HA ARG 623 HA ARG 623 -14.517 0.593 3.432 725 HB2 ARG 623 2HB ARG 623 -16.679 0.817 4.384 726 HB3 ARG 623 3HB ARG 623 -16.423 -0.909 4.164 727 HG2 ARG 623 2HG ARG 623 -15.639 -0.866 6.665 728 HG3 ARG 623 3HG ARG 623 -16.445 0.698 6.728 729 HD2 ARG 623 2HD ARG 623 -17.690 -1.990 6.002 730 HD3 ARG 623 3HD ARG 623 -17.883 -1.117 7.531 731 HE ARG 623 HE ARG 623 -18.752 0.567 5.371 732 HH11 ARG 623 1HH1 ARG 623 -19.863 -2.287 7.114 733 HH12 ARG 623 2HH1 ARG 623 -21.541 -1.920 6.738 734 HH21 ARG 623 1HH2 ARG 623 -20.837 0.903 4.926 735 HH22 ARG 623 2HH2 ARG 623 -22.078 -0.067 5.705 736 H ALA 624 H ALA 624 -14.915 2.734 4.313 737 HA ALA 624 HA ALA 624 -12.825 3.587 6.128 738 HB1 ALA 624 1HB ALA 624 -13.804 5.791 5.750 739 HB2 ALA 624 2HB ALA 624 -13.689 4.923 4.215 740 HB3 ALA 624 3HB ALA 624 -15.256 5.058 5.036 741 H ASP 625 H ASP 625 -12.932 3.975 8.368 742 HA ASP 625 HA ASP 625 -15.373 3.206 9.853 743 HB2 ASP 625 2HB ASP 625 -12.819 3.049 10.606 744 HB3 ASP 625 3HB ASP 625 -13.043 4.708 11.024 745 H THR 626 H THR 626 -13.670 6.016 8.708 746 HA THR 626 HA THR 626 -15.541 8.019 9.835 747 HB THR 626 HB THR 626 -13.894 7.586 11.549 748 HG1 THR 626 1HG THR 626 -12.998 9.621 11.692 749 HG21 THR 626 1HG2 THR 626 -11.775 8.095 9.433 750 HG22 THR 626 2HG2 THR 626 -12.088 6.587 10.341 751 HG23 THR 626 3HG2 THR 626 -11.483 8.013 11.186 752 H TYR 627 H TYR 627 -14.283 10.291 9.021 753 HA TYR 627 HA TYR 627 -13.984 10.211 6.121 754 HB2 TYR 627 2HB TYR 627 -14.890 12.068 7.436 755 HB3 TYR 627 3HB TYR 627 -13.358 12.261 8.241 756 HD1 TYR 627 HD1 TYR 627 -11.375 12.365 5.984 757 HD2 TYR 627 HD2 TYR 627 -15.350 14.006 6.375 758 HE1 TYR 627 HE1 TYR 627 -10.803 14.161 4.356 759 HE2 TYR 627 HE2 TYR 627 -14.728 15.850 4.837 760 HH TYR 627 HH TYR 627 -13.109 16.742 3.478 761 H CYS 628 H CYS 628 -12.419 8.830 5.535 762 HA CYS 628 HA CYS 628 -9.796 8.800 6.920 763 HB2 CYS 628 2HB CYS 628 -9.523 6.560 6.267 764 HB3 CYS 628 3HB CYS 628 -11.142 6.604 6.669 765 HG CYS 628 HG CYS 628 -12.024 7.174 4.177 766 H ARG 629 H ARG 629 -7.968 9.345 5.976 767 HA ARG 629 HA ARG 629 -7.951 10.434 3.170 768 HB2 ARG 629 2HB ARG 629 -6.223 10.895 5.663 769 HB3 ARG 629 3HB ARG 629 -5.889 11.593 4.100 770 HG2 ARG 629 2HG ARG 629 -8.662 12.113 5.157 771 HG3 ARG 629 3HG ARG 629 -7.354 12.798 6.122 772 HD2 ARG 629 2HD ARG 629 -7.594 13.173 3.124 773 HD3 ARG 629 3HD ARG 629 -8.278 14.281 4.302 774 HE ARG 629 HE ARG 629 -5.361 13.593 4.447 775 HH11 ARG 629 1HH1 ARG 629 -7.690 16.159 3.876 776 HH12 ARG 629 2HH1 ARG 629 -6.495 17.380 4.253 777 HH21 ARG 629 1HH2 ARG 629 -3.955 15.070 4.696 778 HH22 ARG 629 2HH2 ARG 629 -4.348 16.778 4.571 779 H LEU 630 H LEU 630 -7.153 9.095 1.829 780 HA LEU 630 HA LEU 630 -5.191 7.004 2.692 781 HB2 LEU 630 2HB LEU 630 -7.215 6.731 0.463 782 HB3 LEU 630 3HB LEU 630 -6.133 5.495 1.099 783 HG LEU 630 HG LEU 630 -8.560 6.721 2.473 784 HD11 LEU 630 1HD1 LEU 630 -9.352 4.370 2.493 785 HD12 LEU 630 2HD1 LEU 630 -7.922 3.892 1.510 786 HD13 LEU 630 3HD1 LEU 630 -9.131 5.006 0.859 787 HD21 LEU 630 3HD2 LEU 630 -6.664 4.650 3.647 788 HD22 LEU 630 1HD2 LEU 630 -8.218 5.182 4.360 789 HD23 LEU 630 2HD2 LEU 630 -6.883 6.309 4.239 790 H TYR 631 H TYR 631 -3.683 6.305 1.101 791 HA TYR 631 HA TYR 631 -3.147 8.216 -1.101 792 HB2 TYR 631 2HB TYR 631 -0.830 8.275 -0.711 793 HB3 TYR 631 3HB TYR 631 -1.636 8.847 0.676 794 HD1 TYR 631 HD1 TYR 631 -1.977 7.091 2.657 795 HD2 TYR 631 HD2 TYR 631 1.057 6.977 -0.373 796 HE1 TYR 631 HE1 TYR 631 -0.541 5.709 4.159 797 HE2 TYR 631 HE2 TYR 631 2.532 5.660 1.149 798 HH TYR 631 HH TYR 631 1.390 4.477 4.304 799 H SER 632 H SER 632 -2.264 7.307 -2.983 800 HA SER 632 HA SER 632 -2.449 4.337 -3.058 801 HB2 SER 632 2HB SER 632 -3.807 4.528 -5.129 802 HB3 SER 632 3HB SER 632 -4.577 5.067 -3.632 803 HG SER 632 HG SER 632 -5.101 6.631 -4.975 804 H LEU 633 H LEU 633 -0.841 3.337 -3.919 805 HA LEU 633 HA LEU 633 1.095 4.843 -5.639 806 HB2 LEU 633 2HB LEU 633 1.602 4.289 -3.149 807 HB3 LEU 633 3HB LEU 633 1.963 2.680 -3.759 808 HG LEU 633 HG LEU 633 3.313 5.327 -4.524 809 HD11 LEU 633 1HD1 LEU 633 4.323 2.928 -2.970 810 HD12 LEU 633 2HD1 LEU 633 3.918 4.543 -2.323 811 HD13 LEU 633 3HD1 LEU 633 5.277 4.354 -3.431 812 HD21 LEU 633 3HD2 LEU 633 3.865 2.504 -5.540 813 HD22 LEU 633 1HD2 LEU 633 5.006 3.853 -5.685 814 HD23 LEU 633 2HD2 LEU 633 3.460 3.947 -6.504 815 H SER 634 H SER 634 1.457 4.004 -7.613 816 HA SER 634 HA SER 634 0.365 1.399 -8.346 817 HB2 SER 634 2HB SER 634 0.949 2.046 -10.613 818 HB3 SER 634 3HB SER 634 -0.002 3.273 -9.800 819 HG SER 634 HG SER 634 2.429 3.420 -10.905 820 H VAL 635 H VAL 635 1.532 -0.311 -9.460 821 HA VAL 635 HA VAL 635 3.997 -0.829 -7.873 822 HB VAL 635 HB VAL 635 3.749 -3.106 -8.177 823 HG11 VAL 635 1HG1 VAL 635 1.655 -3.678 -7.285 824 HG12 VAL 635 2HG1 VAL 635 2.083 -2.079 -6.638 825 HG13 VAL 635 3HG1 VAL 635 0.877 -2.223 -7.946 826 HG21 VAL 635 3HG2 VAL 635 2.207 -4.273 -9.497 827 HG22 VAL 635 1HG2 VAL 635 1.767 -2.767 -10.358 828 HG23 VAL 635 2HG2 VAL 635 3.447 -3.420 -10.400 829 H ASP 636 H ASP 636 2.862 -0.273 -11.085 830 HA ASP 636 HA ASP 636 5.046 -1.042 -12.693 831 HB2 ASP 636 2HB ASP 636 4.487 1.187 -13.857 832 HB3 ASP 636 3HB ASP 636 3.319 -0.132 -13.915 833 H ASN 637 H ASN 637 4.618 2.043 -10.962 834 HA ASN 637 HA ASN 637 7.184 3.083 -11.541 835 HB2 ASN 637 2HB ASN 637 4.889 3.741 -9.708 836 HB3 ASN 637 3HB ASN 637 6.457 4.429 -9.289 837 HD21 ASN 637 HD21 ASN 637 4.371 4.014 -12.238 838 HD22 ASN 637 HD22 ASN 637 4.904 5.559 -12.914 839 H PHE 638 H PHE 638 6.224 0.842 -9.034 840 HA PHE 638 HA PHE 638 8.596 1.097 -7.338 841 HB2 PHE 638 2HB PHE 638 6.422 0.286 -6.523 842 HB3 PHE 638 3HB PHE 638 6.582 -1.136 -7.541 843 HD1 PHE 638 1HD PHE 638 8.685 -2.677 -7.168 844 HD2 PHE 638 2HD PHE 638 7.213 0.196 -4.324 845 HE1 PHE 638 1HE PHE 638 10.002 -3.777 -5.377 846 HE2 PHE 638 2HE PHE 638 8.529 -0.906 -2.527 847 HZ PHE 638 HZ PHE 638 9.952 -2.862 -3.068 848 H ASN 639 H ASN 639 7.446 -1.259 -9.765 849 HA ASN 639 HA ASN 639 9.812 -2.903 -9.825 850 HB2 ASN 639 2HB ASN 639 7.390 -2.446 -11.627 851 HB3 ASN 639 3HB ASN 639 8.648 -3.572 -12.074 852 HD21 ASN 639 HD21 ASN 639 5.951 -3.199 -9.718 853 HD22 ASN 639 HD22 ASN 639 6.091 -4.920 -9.351 854 H GLU 640 H GLU 640 9.092 0.178 -11.322 855 HA GLU 640 HA GLU 640 11.352 0.148 -13.166 856 HB2 GLU 640 2HB GLU 640 9.282 2.114 -12.182 857 HB3 GLU 640 3HB GLU 640 10.721 2.768 -12.839 858 HG2 GLU 640 2HG GLU 640 8.414 1.368 -14.139 859 HG3 GLU 640 3HG GLU 640 9.339 2.731 -14.725 860 H VAL 641 H VAL 641 10.774 1.912 -10.091 861 HA VAL 641 HA VAL 641 13.310 3.265 -10.050 862 HB VAL 641 HB VAL 641 11.363 4.074 -8.934 863 HG11 VAL 641 1HG1 VAL 641 10.370 3.118 -7.022 864 HG12 VAL 641 2HG1 VAL 641 10.446 1.891 -8.277 865 HG13 VAL 641 3HG1 VAL 641 11.591 1.818 -6.933 866 HG21 VAL 641 3HG2 VAL 641 13.453 3.434 -6.817 867 HG22 VAL 641 1HG2 VAL 641 13.489 4.825 -7.930 868 HG23 VAL 641 2HG2 VAL 641 12.199 4.658 -6.700 869 H LEU 642 H LEU 642 12.420 0.050 -8.976 870 HA LEU 642 HA LEU 642 14.606 -0.448 -7.274 871 HB2 LEU 642 2HB LEU 642 12.445 -1.926 -8.297 872 HB3 LEU 642 3HB LEU 642 13.825 -2.779 -8.931 873 HG LEU 642 HG LEU 642 13.008 -2.294 -6.049 874 HD11 LEU 642 1HD1 LEU 642 13.129 -4.720 -5.896 875 HD12 LEU 642 2HD1 LEU 642 13.780 -4.832 -7.539 876 HD13 LEU 642 3HD1 LEU 642 12.117 -4.261 -7.276 877 HD21 LEU 642 3HD2 LEU 642 15.080 -3.520 -5.329 878 HD22 LEU 642 1HD2 LEU 642 15.384 -1.881 -5.890 879 HD23 LEU 642 2HD2 LEU 642 15.739 -3.244 -6.962 880 H GLU 643 H GLU 643 14.682 -0.275 -10.805 881 HA GLU 643 HA GLU 643 17.314 -1.555 -11.021 882 HB2 GLU 643 2HB GLU 643 15.576 -0.042 -12.964 883 HB3 GLU 643 3HB GLU 643 17.180 -0.632 -13.403 884 HG2 GLU 643 2HG GLU 643 15.683 -2.746 -12.226 885 HG3 GLU 643 3HG GLU 643 14.591 -1.947 -13.322 886 H GLU 644 H GLU 644 16.414 1.594 -9.922 887 HA GLU 644 HA GLU 644 18.856 2.957 -10.795 888 HB2 GLU 644 2HB GLU 644 16.742 3.572 -8.742 889 HB3 GLU 644 3HB GLU 644 18.100 4.621 -9.088 890 HG2 GLU 644 2HG GLU 644 16.522 3.773 -11.490 891 HG3 GLU 644 3HG GLU 644 15.642 4.689 -10.299 892 H TYR 645 H TYR 645 17.985 0.838 -8.160 893 HA TYR 645 HA TYR 645 20.544 1.405 -6.706 894 HB2 TYR 645 2HB TYR 645 17.855 0.744 -5.466 895 HB3 TYR 645 3HB TYR 645 19.354 1.101 -4.621 896 HD1 TYR 645 HD1 TYR 645 16.585 2.507 -6.634 897 HD2 TYR 645 HD2 TYR 645 20.093 3.433 -4.307 898 HE1 TYR 645 HE1 TYR 645 15.994 4.923 -6.703 899 HE2 TYR 645 HE2 TYR 645 19.465 5.841 -4.316 900 HH TYR 645 HH TYR 645 18.025 7.460 -5.210 901 HA PRO 646 HA PRO 646 19.838 -2.932 -8.315 902 HB2 PRO 646 2HB PRO 646 22.408 -3.545 -9.146 903 HB3 PRO 646 3HB PRO 646 21.166 -2.726 -10.124 904 HG2 PRO 646 2HG PRO 646 23.369 -1.439 -8.472 905 HG3 PRO 646 3HG PRO 646 22.910 -1.090 -10.176 906 HD2 PRO 646 2HD PRO 646 21.989 0.478 -8.197 907 HD3 PRO 646 3HD PRO 646 20.877 -0.041 -9.496 908 H MET 647 H MET 647 22.142 -1.924 -5.753 909 HA MET 647 HA MET 647 22.797 -4.621 -4.921 910 HB2 MET 647 2HB MET 647 23.769 -3.668 -3.056 911 HB3 MET 647 3HB MET 647 23.847 -2.312 -4.189 912 HG2 MET 647 2HG MET 647 21.563 -1.613 -3.245 913 HG3 MET 647 3HG MET 647 21.814 -2.827 -1.996 914 HE1 MET 647 3HE MET 647 20.950 0.032 -1.727 915 HE2 MET 647 1HE MET 647 21.008 -1.256 -0.509 916 HE3 MET 647 2HE MET 647 21.701 0.356 -0.134 917 H MET 648 H MET 648 20.029 -2.533 -4.579 918 HA MET 648 HA MET 648 18.743 -4.075 -2.468 919 HB2 MET 648 2HB MET 648 18.767 -1.591 -2.579 920 HB3 MET 648 3HB MET 648 17.794 -1.663 -4.045 921 HG2 MET 648 2HG MET 648 16.550 -1.110 -2.030 922 HG3 MET 648 3HG MET 648 15.919 -2.502 -2.906 923 HE1 MET 648 3HE MET 648 18.205 -2.963 1.137 924 HE2 MET 648 1HE MET 648 19.059 -2.841 -0.409 925 HE3 MET 648 2HE MET 648 18.155 -1.440 0.224 926 H ARG 649 H ARG 649 18.795 -3.983 -5.950 927 HA ARG 649 HA ARG 649 16.328 -5.419 -6.417 928 HB2 ARG 649 2HB ARG 649 17.832 -4.079 -8.070 929 HB3 ARG 649 3HB ARG 649 18.765 -5.561 -8.240 930 HG2 ARG 649 2HG ARG 649 15.744 -5.387 -8.655 931 HG3 ARG 649 3HG ARG 649 16.885 -5.050 -9.942 932 HD2 ARG 649 2HD ARG 649 16.820 -7.726 -8.489 933 HD3 ARG 649 3HD ARG 649 15.844 -7.355 -9.908 934 HE ARG 649 HE ARG 649 18.685 -6.786 -10.316 935 HH11 ARG 649 1HH1 ARG 649 16.305 -9.405 -10.561 936 HH12 ARG 649 2HH1 ARG 649 17.125 -10.087 -11.935 937 HH21 ARG 649 1HH2 ARG 649 19.680 -7.746 -11.944 938 HH22 ARG 649 2HH2 ARG 649 18.991 -9.173 -12.707 939 H ARG 650 H ARG 650 19.731 -6.624 -6.162 940 HA ARG 650 HA ARG 650 18.902 -9.393 -5.975 941 HB2 ARG 650 2HB ARG 650 21.059 -9.899 -5.031 942 HB3 ARG 650 3HB ARG 650 21.193 -8.920 -6.500 943 HG2 ARG 650 2HG ARG 650 21.720 -6.934 -5.121 944 HG3 ARG 650 3HG ARG 650 21.503 -7.898 -3.644 945 HD2 ARG 650 2HD ARG 650 23.832 -7.765 -4.006 946 HD3 ARG 650 3HD ARG 650 23.355 -9.408 -4.413 947 HE ARG 650 HE ARG 650 23.781 -7.232 -6.458 948 HH11 ARG 650 1HH1 ARG 650 24.335 -10.640 -5.665 949 HH12 ARG 650 2HH1 ARG 650 25.500 -10.772 -6.972 950 HH21 ARG 650 1HH2 ARG 650 25.101 -7.527 -8.020 951 HH22 ARG 650 2HH2 ARG 650 25.985 -9.032 -8.262 952 H ALA 651 H ALA 651 19.316 -6.975 -3.446 953 HA ALA 651 HA ALA 651 18.722 -8.615 -1.242 954 HB1 ALA 651 1HB ALA 651 17.941 -5.681 -1.455 955 HB2 ALA 651 2HB ALA 651 18.382 -6.571 -0.012 956 HB3 ALA 651 3HB ALA 651 19.625 -6.188 -1.205 957 H PHE 652 H PHE 652 16.564 -7.444 -3.725 958 HA PHE 652 HA PHE 652 14.145 -8.335 -2.301 959 HB2 PHE 652 2HB PHE 652 14.729 -6.592 -4.591 960 HB3 PHE 652 3HB PHE 652 13.513 -7.783 -4.987 961 HD1 PHE 652 1HD PHE 652 11.360 -7.852 -3.871 962 HD2 PHE 652 2HD PHE 652 14.321 -4.913 -2.816 963 HE1 PHE 652 1HE PHE 652 9.633 -6.571 -2.607 964 HE2 PHE 652 2HE PHE 652 12.596 -3.620 -1.563 965 HZ PHE 652 HZ PHE 652 10.256 -4.462 -1.446 966 H GLU 653 H GLU 653 16.108 -9.404 -5.153 967 HA GLU 653 HA GLU 653 14.473 -11.545 -5.965 968 HB2 GLU 653 2HB GLU 653 17.519 -11.362 -5.955 969 HB3 GLU 653 3HB GLU 653 16.619 -12.585 -6.837 970 HG2 GLU 653 2HG GLU 653 16.384 -9.596 -7.299 971 HG3 GLU 653 3HG GLU 653 17.391 -10.687 -8.247 972 H THR 654 H THR 654 16.555 -11.424 -3.213 973 HA THR 654 HA THR 654 16.664 -14.301 -2.676 974 HB THR 654 HB THR 654 18.527 -12.711 -2.404 975 HG1 THR 654 1HG THR 654 19.243 -13.732 -0.595 976 HG21 THR 654 1HG2 THR 654 17.251 -10.828 -1.370 977 HG22 THR 654 2HG2 THR 654 18.697 -11.290 -0.469 978 HG23 THR 654 3HG2 THR 654 17.088 -11.799 0.109 979 H VAL 655 H VAL 655 14.634 -11.701 -1.767 980 HA VAL 655 HA VAL 655 13.381 -13.228 0.483 981 HB VAL 655 HB VAL 655 14.228 -11.021 1.002 982 HG11 VAL 655 1HG1 VAL 655 12.305 -9.902 -1.009 983 HG12 VAL 655 2HG1 VAL 655 13.200 -8.980 0.223 984 HG13 VAL 655 3HG1 VAL 655 14.097 -9.897 -0.989 985 HG21 VAL 655 3HG2 VAL 655 11.187 -10.975 1.059 986 HG22 VAL 655 1HG2 VAL 655 12.174 -11.955 2.171 987 HG23 VAL 655 2HG2 VAL 655 12.295 -10.185 2.198 988 H ALA 656 H ALA 656 12.708 -11.789 -2.638 989 HA ALA 656 HA ALA 656 9.934 -12.074 -2.819 990 HB1 ALA 656 1HB ALA 656 12.056 -12.567 -4.962 991 HB2 ALA 656 2HB ALA 656 10.331 -12.283 -5.270 992 HB3 ALA 656 3HB ALA 656 11.320 -11.003 -4.544 993 H ILE 657 H ILE 657 12.380 -14.687 -3.168 994 HA ILE 657 HA ILE 657 10.474 -16.686 -3.914 995 HB ILE 657 HB ILE 657 12.245 -18.326 -3.363 996 HG12 ILE 657 2HG1 ILE 657 14.546 -17.559 -2.987 997 HG13 ILE 657 3HG1 ILE 657 14.000 -15.908 -2.716 998 HG21 ILE 657 1HG2 ILE 657 13.120 -15.979 -5.097 999 HG22 ILE 657 2HG2 ILE 657 13.680 -17.656 -5.219 1000 HG23 ILE 657 3HG2 ILE 657 11.995 -17.266 -5.581 1001 HD11 ILE 657 3HD1 ILE 657 14.542 -17.275 -0.659 1002 HD12 ILE 657 1HD1 ILE 657 12.940 -16.527 -0.639 1003 HD13 ILE 657 2HD1 ILE 657 13.114 -18.267 -1.000 1004 H ASP 658 H ASP 658 10.718 -15.202 -0.900 1005 HA ASP 658 HA ASP 658 9.052 -17.374 0.325 1006 HB2 ASP 658 2HB ASP 658 10.881 -16.691 1.783 1007 HB3 ASP 658 3HB ASP 658 10.459 -14.993 1.588 1008 H ARG 659 H ARG 659 9.107 -13.915 -0.560 1009 HA ARG 659 HA ARG 659 6.420 -13.381 0.480 1010 HB2 ARG 659 2HB ARG 659 8.624 -11.806 -0.853 1011 HB3 ARG 659 3HB ARG 659 6.998 -11.145 -0.892 1012 HG2 ARG 659 2HG ARG 659 8.360 -10.251 0.934 1013 HG3 ARG 659 3HG ARG 659 6.870 -11.007 1.499 1014 HD2 ARG 659 2HD ARG 659 7.983 -12.834 2.437 1015 HD3 ARG 659 3HD ARG 659 9.454 -12.577 1.482 1016 HE ARG 659 HE ARG 659 9.203 -10.281 3.077 1017 HH11 ARG 659 1HH1 ARG 659 9.347 -13.673 3.927 1018 HH12 ARG 659 2HH1 ARG 659 10.358 -13.339 5.313 1019 HH21 ARG 659 1HH2 ARG 659 10.629 -9.983 4.814 1020 HH22 ARG 659 2HH2 ARG 659 11.193 -11.405 5.658 1021 H LEU 660 H LEU 660 7.440 -14.612 -2.554 1022 HA LEU 660 HA LEU 660 4.977 -13.700 -3.938 1023 HB2 LEU 660 2HB LEU 660 7.241 -13.394 -4.863 1024 HB3 LEU 660 3HB LEU 660 7.470 -15.133 -4.938 1025 HG LEU 660 HG LEU 660 5.083 -13.988 -6.379 1026 HD11 LEU 660 1HD1 LEU 660 6.863 -12.411 -6.961 1027 HD12 LEU 660 2HD1 LEU 660 6.526 -13.462 -8.341 1028 HD13 LEU 660 3HD1 LEU 660 7.963 -13.748 -7.347 1029 HD21 LEU 660 3HD2 LEU 660 5.665 -15.698 -8.023 1030 HD22 LEU 660 1HD2 LEU 660 5.610 -16.462 -6.433 1031 HD23 LEU 660 2HD2 LEU 660 7.174 -16.078 -7.172 1032 H ASP 661 H ASP 661 6.122 -16.566 -2.367 1033 HA ASP 661 HA ASP 661 3.817 -18.141 -3.351 1034 HB2 ASP 661 2HB ASP 661 6.087 -18.458 -4.656 1035 HB3 ASP 661 3HB ASP 661 6.533 -19.434 -3.272 1036 H ARG 662 H ARG 662 3.925 -20.393 -2.002 1037 HA ARG 662 HA ARG 662 3.246 -19.271 0.602 1038 HB2 ARG 662 2HB ARG 662 1.695 -21.068 0.724 1039 HB3 ARG 662 3HB ARG 662 1.638 -20.377 -0.889 1040 HG2 ARG 662 2HG ARG 662 3.166 -22.305 -1.643 1041 HG3 ARG 662 3HG ARG 662 2.910 -23.026 -0.051 1042 HD2 ARG 662 2HD ARG 662 0.744 -22.353 -2.094 1043 HD3 ARG 662 3HD ARG 662 1.411 -23.953 -1.788 1044 HE ARG 662 HE ARG 662 -0.206 -22.327 0.161 1045 HH11 ARG 662 1HH1 ARG 662 0.574 -25.579 -1.048 1046 HH12 ARG 662 2HH1 ARG 662 -0.297 -26.300 0.288 1047 HH21 ARG 662 1HH2 ARG 662 -1.401 -23.373 1.658 1048 HH22 ARG 662 2HH2 ARG 662 -1.549 -25.108 1.626 1049 H ILE 663 H ILE 663 5.937 -21.181 -0.201 1050 HA ILE 663 HA ILE 663 5.715 -23.230 1.532 1051 HB ILE 663 HB ILE 663 8.463 -22.266 0.720 1052 HG12 ILE 663 2HG1 ILE 663 7.792 -23.546 -1.496 1053 HG13 ILE 663 3HG1 ILE 663 6.193 -23.075 -1.103 1054 HG21 ILE 663 1HG2 ILE 663 8.086 -24.485 1.870 1055 HG22 ILE 663 2HG2 ILE 663 6.974 -24.912 0.531 1056 HG23 ILE 663 3HG2 ILE 663 8.700 -24.676 0.221 1057 HD11 ILE 663 3HD1 ILE 663 8.658 -21.328 -1.665 1058 HD12 ILE 663 1HD1 ILE 663 7.274 -21.565 -2.737 1059 HD13 ILE 663 2HD1 ILE 663 7.094 -20.619 -1.244 1060 H GLY 664 H GLY 664 7.171 -20.122 2.491 1061 HA2 GLY 664 2HA GLY 664 7.666 -19.404 4.647 1062 HA3 GLY 664 3HA GLY 664 7.498 -21.038 5.275 1063 H LYS 665 H LYS 665 9.639 -20.516 2.574 1064 HA LYS 665 HA LYS 665 12.089 -20.919 4.260 1065 HB2 LYS 665 2HB LYS 665 11.452 -21.948 1.531 1066 HB3 LYS 665 3HB LYS 665 12.998 -22.175 2.339 1067 HG2 LYS 665 2HG LYS 665 12.023 -23.671 3.965 1068 HG3 LYS 665 3HG LYS 665 10.379 -23.236 3.489 1069 HD2 LYS 665 2HD LYS 665 10.813 -25.384 2.561 1070 HD3 LYS 665 3HD LYS 665 10.757 -24.217 1.240 1071 HE2 LYS 665 2HE LYS 665 13.300 -24.170 1.282 1072 HE3 LYS 665 3HE LYS 665 13.231 -25.472 2.485 1073 HZ1 LYS 665 3HZ LYS 665 11.792 -26.635 0.664 1074 HZ2 LYS 665 1HZ LYS 665 13.415 -26.621 0.508 1075 HZ3 LYS 665 2HZ LYS 665 12.474 -25.575 -0.369 1076 H LYS 666 H LYS 666 13.855 -19.587 3.830 1077 HA LYS 666 HA LYS 666 13.585 -17.542 1.652 1078 HB2 LYS 666 2HB LYS 666 12.572 -16.647 3.697 1079 HB3 LYS 666 3HB LYS 666 14.054 -16.970 4.604 1080 HG2 LYS 666 2HG LYS 666 15.273 -15.380 3.235 1081 HG3 LYS 666 3HG LYS 666 13.858 -15.072 2.217 1082 HD2 LYS 666 2HD LYS 666 12.741 -13.995 4.085 1083 HD3 LYS 666 3HD LYS 666 14.020 -14.483 5.210 1084 HE2 LYS 666 2HE LYS 666 14.493 -12.703 2.772 1085 HE3 LYS 666 3HE LYS 666 14.141 -12.069 4.387 1086 HZ1 LYS 666 3HZ LYS 666 16.130 -13.063 5.217 1087 HZ2 LYS 666 1HZ LYS 666 16.541 -12.172 3.924 1088 HZ3 LYS 666 2HZ LYS 666 16.479 -13.806 3.771 1089 H ASN 667 H ASN 667 15.493 -16.362 1.086 1090 HA ASN 667 HA ASN 667 18.087 -17.740 1.632 1091 HB2 ASN 667 2HB ASN 667 16.945 -16.337 -0.810 1092 HB3 ASN 667 3HB ASN 667 18.661 -16.581 -0.624 1093 HD21 ASN 667 HD21 ASN 667 17.810 -17.623 -2.788 1094 HD22 ASN 667 HD22 ASN 667 17.584 -19.359 -2.674 1095 H SER 668 H SER 668 19.979 -16.178 1.148 1096 HA SER 668 HA SER 668 19.568 -13.497 2.396 1097 HB2 SER 668 2HB SER 668 21.368 -13.848 3.971 1098 HB3 SER 668 3HB SER 668 20.112 -15.065 4.206 1099 HG SER 668 HG SER 668 21.509 -16.538 3.824 1100 H ILE 669 H ILE 669 22.620 -13.393 2.546 1101 HA ILE 669 HA ILE 669 22.908 -12.112 -0.082 1102 HB ILE 669 HB ILE 669 24.909 -11.106 0.844 1103 HG12 ILE 669 2HG1 ILE 669 24.379 -12.666 3.412 1104 HG13 ILE 669 3HG1 ILE 669 25.670 -13.021 2.262 1105 HG21 ILE 669 1HG2 ILE 669 23.803 -9.663 2.430 1106 HG22 ILE 669 2HG2 ILE 669 22.611 -10.165 1.233 1107 HG23 ILE 669 3HG2 ILE 669 22.613 -10.918 2.840 1108 HD11 ILE 669 3HD1 ILE 669 25.394 -10.471 3.898 1109 HD12 ILE 669 1HD1 ILE 669 26.593 -11.757 4.092 1110 HD13 ILE 669 2HD1 ILE 669 26.620 -10.744 2.634 1111 H LEU 670 H LEU 670 24.982 -12.220 -1.236 1112 HA LEU 670 HA LEU 670 26.379 -14.867 -1.116 1113 HB2 LEU 670 2HB LEU 670 26.458 -12.684 -3.232 1114 HB3 LEU 670 3HB LEU 670 27.446 -14.142 -3.237 1115 HG LEU 670 HG LEU 670 24.401 -14.080 -3.449 1116 HD11 LEU 670 1HD1 LEU 670 24.767 -14.751 -5.770 1117 HD12 LEU 670 2HD1 LEU 670 26.526 -14.729 -5.528 1118 HD13 LEU 670 3HD1 LEU 670 25.593 -13.216 -5.452 1119 HD21 LEU 670 3HD2 LEU 670 26.360 -16.409 -3.697 1120 HD22 LEU 670 1HD2 LEU 670 24.623 -16.472 -4.058 1121 HD23 LEU 670 2HD2 LEU 670 25.162 -16.182 -2.404 1122 H LEU 671 H LEU 671 28.660 -14.842 -0.730 1123 HA LEU 671 HA LEU 671 29.699 -12.319 0.459 1124 HB2 LEU 671 2HB LEU 671 28.275 -13.644 2.051 1125 HB3 LEU 671 3HB LEU 671 29.412 -14.977 1.917 1126 HG LEU 671 HG LEU 671 31.139 -13.679 3.057 1127 HD11 LEU 671 1HD1 LEU 671 30.643 -11.430 4.005 1128 HD12 LEU 671 2HD1 LEU 671 29.125 -11.385 3.087 1129 HD13 LEU 671 3HD1 LEU 671 30.687 -11.376 2.248 1130 HD21 LEU 671 3HD2 LEU 671 28.471 -13.390 4.485 1131 HD22 LEU 671 1HD2 LEU 671 30.082 -13.438 5.232 1132 HD23 LEU 671 2HD2 LEU 671 29.446 -14.869 4.412 1133 H HIS 672 H HIS 672 31.798 -12.527 1.369 1134 HA HIS 672 HA HIS 672 33.953 -13.340 -0.281 1135 HB2 HIS 672 2HB HIS 672 33.748 -11.443 1.351 1136 HB3 HIS 672 3HB HIS 672 33.723 -12.600 2.670 1137 HD1 HIS 672 1HD HIS 672 36.418 -13.757 0.429 1138 HD2 HIS 672 2HD HIS 672 35.785 -10.668 3.204 1139 HE1 HIS 672 1HE HIS 672 38.731 -12.944 1.141 Start of MODEL 5 1 H ASN 534 H ASN 534 6.195 14.383 0.702 2 HA ASN 534 HA ASN 534 5.954 14.628 3.603 3 HB2 ASN 534 2HB ASN 534 3.913 15.849 2.617 4 HB3 ASN 534 3HB ASN 534 3.416 14.303 1.930 5 HD21 ASN 534 HD21 ASN 534 1.426 14.542 3.248 6 HD22 ASN 534 HD22 ASN 534 1.521 14.164 4.974 7 H CYS 535 H CYS 535 5.048 12.627 4.543 8 HA CYS 535 HA CYS 535 4.788 10.442 4.858 9 HB2 CYS 535 2HB CYS 535 4.196 10.312 1.897 10 HB3 CYS 535 3HB CYS 535 3.852 9.038 3.074 11 HG CYS 535 HG CYS 535 1.661 10.436 2.400 12 H ARG 536 H ARG 536 7.648 11.394 3.863 13 HA ARG 536 HA ARG 536 8.862 9.023 2.785 14 HB2 ARG 536 2HB ARG 536 9.852 11.384 2.907 15 HB3 ARG 536 3HB ARG 536 10.244 11.041 4.597 16 HG2 ARG 536 2HG ARG 536 11.545 8.984 3.744 17 HG3 ARG 536 3HG ARG 536 11.235 9.589 2.105 18 HD2 ARG 536 2HD ARG 536 12.282 11.807 2.941 19 HD3 ARG 536 3HD ARG 536 12.866 10.868 4.328 20 HE ARG 536 HE ARG 536 13.611 9.486 1.958 21 HH11 ARG 536 1HH1 ARG 536 14.414 12.596 3.405 22 HH12 ARG 536 2HH1 ARG 536 15.770 12.798 2.294 23 HH21 ARG 536 1HH2 ARG 536 15.347 9.825 0.686 24 HH22 ARG 536 2HH2 ARG 536 16.341 11.233 0.912 25 H LYS 537 H LYS 537 8.470 10.036 6.214 26 HA LYS 537 HA LYS 537 9.763 7.635 7.284 27 HB2 LYS 537 2HB LYS 537 7.813 9.500 8.694 28 HB3 LYS 537 3HB LYS 537 8.864 8.290 9.419 29 HG2 LYS 537 2HG LYS 537 10.848 9.619 8.489 30 HG3 LYS 537 3HG LYS 537 9.689 10.913 8.118 31 HD2 LYS 537 2HD LYS 537 8.975 10.871 10.529 32 HD3 LYS 537 3HD LYS 537 10.203 9.627 10.834 33 HE2 LYS 537 2HE LYS 537 11.966 11.248 10.074 34 HE3 LYS 537 3HE LYS 537 10.707 12.485 9.928 35 HZ1 LYS 537 3HZ LYS 537 10.221 12.092 12.338 36 HZ2 LYS 537 1HZ LYS 537 11.733 12.672 12.095 37 HZ3 LYS 537 2HZ LYS 537 11.470 11.070 12.420 38 H LEU 538 H LEU 538 6.512 8.468 6.292 39 HA LEU 538 HA LEU 538 5.169 6.320 7.674 40 HB2 LEU 538 2HB LEU 538 4.039 8.388 7.054 41 HB3 LEU 538 3HB LEU 538 4.342 8.090 5.344 42 HG LEU 538 HG LEU 538 2.837 6.169 5.342 43 HD11 LEU 538 1HD1 LEU 538 3.077 5.315 7.633 44 HD12 LEU 538 2HD1 LEU 538 1.387 5.695 7.290 45 HD13 LEU 538 3HD1 LEU 538 2.355 6.807 8.286 46 HD21 LEU 538 3HD2 LEU 538 1.573 8.592 6.693 47 HD22 LEU 538 1HD2 LEU 538 0.735 7.374 5.703 48 HD23 LEU 538 2HD2 LEU 538 1.930 8.453 4.963 49 H VAL 539 H VAL 539 6.251 6.698 4.249 50 HA VAL 539 HA VAL 539 5.615 3.942 3.548 51 HB VAL 539 HB VAL 539 5.957 6.059 2.036 52 HG11 VAL 539 1HG1 VAL 539 8.058 6.008 0.800 53 HG12 VAL 539 2HG1 VAL 539 8.335 6.382 2.517 54 HG13 VAL 539 3HG1 VAL 539 8.702 4.756 1.869 55 HG21 VAL 539 3HG2 VAL 539 5.032 4.004 1.267 56 HG22 VAL 539 1HG2 VAL 539 6.319 4.462 0.137 57 HG23 VAL 539 2HG2 VAL 539 6.600 3.190 1.355 58 H ALA 540 H ALA 540 8.644 5.538 4.659 59 HA ALA 540 HA ALA 540 10.210 3.178 4.481 60 HB1 ALA 540 1HB ALA 540 11.839 4.457 5.789 61 HB2 ALA 540 2HB ALA 540 11.108 5.488 4.541 62 HB3 ALA 540 3HB ALA 540 10.585 5.619 6.245 63 H SER 541 H SER 541 7.654 3.592 6.666 64 HA SER 541 HA SER 541 8.971 2.301 8.942 65 HB2 SER 541 2HB SER 541 6.365 3.613 8.456 66 HB3 SER 541 3HB SER 541 6.595 2.581 9.857 67 HG SER 541 HG SER 541 7.936 4.964 9.146 68 H MET 542 H MET 542 7.356 1.307 6.126 69 HA MET 542 HA MET 542 5.819 -0.906 7.028 70 HB2 MET 542 2HB MET 542 6.797 0.253 4.440 71 HB3 MET 542 3HB MET 542 6.428 -1.450 4.419 72 HG2 MET 542 2HG MET 542 4.156 -0.937 5.375 73 HG3 MET 542 3HG MET 542 4.555 0.779 5.293 74 HE1 MET 542 3HE MET 542 5.487 -1.928 2.352 75 HE2 MET 542 1HE MET 542 4.133 -2.541 3.318 76 HE3 MET 542 2HE MET 542 3.864 -2.015 1.646 77 HA PRO 543 HA PRO 543 8.834 -4.141 7.487 78 HB2 PRO 543 2HB PRO 543 7.508 -6.359 6.576 79 HB3 PRO 543 3HB PRO 543 7.105 -5.520 8.103 80 HG2 PRO 543 2HG PRO 543 5.760 -5.233 5.405 81 HG3 PRO 543 3HG PRO 543 4.990 -5.437 7.012 82 HD2 PRO 543 2HD PRO 543 5.281 -3.009 5.809 83 HD3 PRO 543 3HD PRO 543 5.408 -3.144 7.578 84 H LEU 544 H LEU 544 7.456 -3.611 4.275 85 HA LEU 544 HA LEU 544 9.541 -5.024 2.834 86 HB2 LEU 544 2HB LEU 544 7.898 -2.827 1.601 87 HB3 LEU 544 3HB LEU 544 8.503 -4.312 0.888 88 HG LEU 544 HG LEU 544 6.137 -4.018 2.770 89 HD11 LEU 544 1HD1 LEU 544 5.839 -3.248 0.407 90 HD12 LEU 544 2HD1 LEU 544 4.827 -4.648 0.808 91 HD13 LEU 544 3HD1 LEU 544 6.306 -4.864 -0.153 92 HD21 LEU 544 3HD2 LEU 544 5.624 -6.346 2.371 93 HD22 LEU 544 1HD2 LEU 544 7.176 -6.204 3.197 94 HD23 LEU 544 2HD2 LEU 544 7.140 -6.565 1.455 95 H PHE 545 H PHE 545 9.613 -2.081 4.497 96 HA PHE 545 HA PHE 545 11.827 -0.941 2.878 97 HB2 PHE 545 2HB PHE 545 9.738 0.386 4.634 98 HB3 PHE 545 3HB PHE 545 11.162 1.201 4.020 99 HD1 PHE 545 1HD PHE 545 8.148 -0.706 2.783 100 HD2 PHE 545 2HD PHE 545 11.100 2.316 1.987 101 HE1 PHE 545 1HE PHE 545 6.855 0.027 0.805 102 HE2 PHE 545 2HE PHE 545 9.827 3.026 -0.028 103 HZ PHE 545 HZ PHE 545 7.673 1.920 -0.579 104 H ALA 546 H ALA 546 11.721 -2.980 5.200 105 HA ALA 546 HA ALA 546 12.896 -2.103 7.602 106 HB1 ALA 546 1HB ALA 546 13.357 -4.564 5.864 107 HB2 ALA 546 2HB ALA 546 13.750 -4.474 7.589 108 HB3 ALA 546 3HB ALA 546 12.041 -4.385 7.071 109 H ASN 547 H ASN 547 14.320 -2.594 4.454 110 HA ASN 547 HA ASN 547 17.113 -2.180 5.401 111 HB2 ASN 547 2HB ASN 547 15.772 -4.419 4.077 112 HB3 ASN 547 3HB ASN 547 16.927 -3.736 2.972 113 HD21 ASN 547 HD21 ASN 547 16.626 -4.748 6.338 114 HD22 ASN 547 HD22 ASN 547 18.267 -5.364 6.414 115 H ALA 548 H ALA 548 14.750 -0.584 3.901 116 HA ALA 548 HA ALA 548 15.642 -0.056 1.320 117 HB1 ALA 548 1HB ALA 548 14.069 1.686 1.204 118 HB2 ALA 548 2HB ALA 548 13.376 0.531 2.350 119 HB3 ALA 548 3HB ALA 548 14.133 2.043 2.929 120 H ASP 549 H ASP 549 16.865 1.395 0.226 121 HA ASP 549 HA ASP 549 18.810 3.112 1.608 122 HB2 ASP 549 2HB ASP 549 19.451 1.810 -0.367 123 HB3 ASP 549 3HB ASP 549 18.233 2.617 -1.343 124 HA PRO 550 HA PRO 550 16.007 6.494 1.782 125 HB2 PRO 550 2HB PRO 550 17.649 8.703 1.905 126 HB3 PRO 550 3HB PRO 550 17.503 7.503 3.222 127 HG2 PRO 550 2HG PRO 550 19.577 7.548 0.989 128 HG3 PRO 550 3HG PRO 550 19.878 7.490 2.764 129 HD2 PRO 550 2HD PRO 550 19.864 5.227 1.355 130 HD3 PRO 550 3HD PRO 550 18.997 5.278 2.908 131 H ASN 551 H ASN 551 17.964 6.125 -1.014 132 HA ASN 551 HA ASN 551 16.768 8.495 -2.401 133 HB2 ASN 551 2HB ASN 551 18.980 6.643 -3.349 134 HB3 ASN 551 3HB ASN 551 18.417 8.124 -4.130 135 HD21 ASN 551 HD21 ASN 551 18.389 10.062 -2.236 136 HD22 ASN 551 HD22 ASN 551 19.847 10.062 -1.251 137 H PHE 552 H PHE 552 16.944 4.974 -2.455 138 HA PHE 552 HA PHE 552 15.252 4.468 -4.732 139 HB2 PHE 552 2HB PHE 552 16.489 2.622 -3.928 140 HB3 PHE 552 3HB PHE 552 16.092 2.952 -2.258 141 HD1 PHE 552 1HD PHE 552 14.426 1.874 -5.467 142 HD2 PHE 552 2HD PHE 552 14.441 1.749 -1.160 143 HE1 PHE 552 1HE PHE 552 12.517 0.283 -5.497 144 HE2 PHE 552 2HE PHE 552 12.552 0.134 -1.197 145 HZ PHE 552 HZ PHE 552 11.596 -0.607 -3.364 146 H VAL 553 H VAL 553 14.497 4.768 -1.221 147 HA VAL 553 HA VAL 553 11.691 4.444 -1.577 148 HB VAL 553 HB VAL 553 11.314 5.220 0.607 149 HG11 VAL 553 1HG1 VAL 553 14.097 4.028 0.609 150 HG12 VAL 553 2HG1 VAL 553 12.829 3.831 1.837 151 HG13 VAL 553 3HG1 VAL 553 12.615 3.093 0.226 152 HG21 VAL 553 3HG2 VAL 553 12.575 7.284 0.860 153 HG22 VAL 553 1HG2 VAL 553 13.130 6.097 2.070 154 HG23 VAL 553 2HG2 VAL 553 14.106 6.391 0.626 155 H THR 554 H THR 554 13.674 7.293 -1.784 156 HA THR 554 HA THR 554 11.510 9.216 -1.896 157 HB THR 554 HB THR 554 14.495 9.435 -2.300 158 HG1 THR 554 1HG THR 554 13.020 10.721 -0.337 159 HG21 THR 554 1HG2 THR 554 13.600 11.245 -3.602 160 HG22 THR 554 2HG2 THR 554 14.057 11.924 -2.032 161 HG23 THR 554 3HG2 THR 554 12.339 11.581 -2.394 162 H ALA 555 H ALA 555 13.672 7.784 -4.407 163 HA ALA 555 HA ALA 555 12.677 9.335 -6.558 164 HB1 ALA 555 1HB ALA 555 13.813 6.509 -6.450 165 HB2 ALA 555 2HB ALA 555 13.594 7.452 -7.947 166 HB3 ALA 555 3HB ALA 555 14.713 8.019 -6.691 167 H MET 556 H MET 556 11.101 6.875 -4.753 168 HA MET 556 HA MET 556 9.026 6.158 -6.671 169 HB2 MET 556 2HB MET 556 10.012 4.931 -4.589 170 HB3 MET 556 3HB MET 556 8.858 5.891 -3.657 171 HG2 MET 556 2HG MET 556 7.001 4.952 -4.979 172 HG3 MET 556 3HG MET 556 8.140 4.050 -5.968 173 HE1 MET 556 3HE MET 556 10.186 2.609 -4.357 174 HE2 MET 556 1HE MET 556 9.986 3.405 -2.774 175 HE3 MET 556 2HE MET 556 9.638 1.674 -2.942 176 H LEU 557 H LEU 557 9.445 8.793 -4.354 177 HA LEU 557 HA LEU 557 6.619 9.283 -3.897 178 HB2 LEU 557 2HB LEU 557 9.013 11.021 -3.205 179 HB3 LEU 557 3HB LEU 557 7.401 11.114 -2.505 180 HG LEU 557 HG LEU 557 9.395 8.852 -2.187 181 HD11 LEU 557 1HD1 LEU 557 10.008 10.752 -0.853 182 HD12 LEU 557 2HD1 LEU 557 9.388 9.478 0.194 183 HD13 LEU 557 3HD1 LEU 557 8.353 10.875 -0.185 184 HD21 LEU 557 3HD2 LEU 557 6.588 9.130 -1.037 185 HD22 LEU 557 1HD2 LEU 557 7.790 7.941 -0.494 186 HD23 LEU 557 2HD2 LEU 557 7.187 7.856 -2.140 187 H THR 558 H THR 558 8.787 10.363 -6.331 188 HA THR 558 HA THR 558 8.158 13.028 -6.605 189 HB THR 558 HB THR 558 9.998 11.584 -7.651 190 HG1 THR 558 1HG THR 558 10.434 13.153 -9.039 191 HG21 THR 558 1HG2 THR 558 9.776 11.055 -10.014 192 HG22 THR 558 2HG2 THR 558 8.102 11.598 -10.042 193 HG23 THR 558 3HG2 THR 558 8.558 10.153 -9.101 194 H LYS 559 H LYS 559 6.098 10.486 -7.726 195 HA LYS 559 HA LYS 559 4.195 12.491 -8.890 196 HB2 LYS 559 2HB LYS 559 3.396 10.769 -10.434 197 HB3 LYS 559 3HB LYS 559 5.086 11.144 -10.693 198 HG2 LYS 559 2HG LYS 559 5.698 9.026 -10.411 199 HG3 LYS 559 3HG LYS 559 4.948 8.922 -8.831 200 HD2 LYS 559 2HD LYS 559 3.336 8.594 -11.395 201 HD3 LYS 559 3HD LYS 559 4.218 7.262 -10.639 202 HE2 LYS 559 2HE LYS 559 2.970 7.498 -8.562 203 HE3 LYS 559 3HE LYS 559 2.073 8.884 -9.193 204 HZ1 LYS 559 3HZ LYS 559 0.930 7.488 -10.712 205 HZ2 LYS 559 1HZ LYS 559 0.959 6.608 -9.340 206 HZ3 LYS 559 2HZ LYS 559 2.002 6.265 -10.566 207 H LEU 560 H LEU 560 4.600 10.813 -6.188 208 HA LEU 560 HA LEU 560 2.466 8.913 -6.192 209 HB2 LEU 560 2HB LEU 560 4.783 8.961 -5.090 210 HB3 LEU 560 3HB LEU 560 4.023 9.846 -3.769 211 HG LEU 560 HG LEU 560 3.196 7.091 -4.809 212 HD11 LEU 560 1HD1 LEU 560 4.309 6.240 -2.748 213 HD12 LEU 560 2HD1 LEU 560 4.842 7.882 -2.368 214 HD13 LEU 560 3HD1 LEU 560 5.457 7.046 -3.821 215 HD21 LEU 560 3HD2 LEU 560 1.346 8.100 -3.600 216 HD22 LEU 560 1HD2 LEU 560 2.445 8.600 -2.279 217 HD23 LEU 560 2HD2 LEU 560 2.080 6.884 -2.573 218 H LYS 561 H LYS 561 0.421 9.081 -5.565 219 HA LYS 561 HA LYS 561 -0.611 11.789 -4.922 220 HB2 LYS 561 2HB LYS 561 -0.936 10.360 -7.130 221 HB3 LYS 561 3HB LYS 561 -2.149 9.512 -6.193 222 HG2 LYS 561 2HG LYS 561 -3.547 11.068 -6.983 223 HG3 LYS 561 3HG LYS 561 -2.909 12.126 -5.744 224 HD2 LYS 561 2HD LYS 561 -2.070 11.962 -8.669 225 HD3 LYS 561 3HD LYS 561 -2.902 13.300 -7.870 226 HE2 LYS 561 2HE LYS 561 -0.878 13.746 -6.497 227 HE3 LYS 561 3HE LYS 561 -0.047 12.383 -7.264 228 HZ1 LYS 561 3HZ LYS 561 -0.265 13.542 -9.397 229 HZ2 LYS 561 1HZ LYS 561 0.577 14.447 -8.345 230 HZ3 LYS 561 2HZ LYS 561 -0.998 14.821 -8.661 231 H PHE 562 H PHE 562 -2.281 12.227 -3.577 232 HA PHE 562 HA PHE 562 -2.963 10.140 -1.554 233 HB2 PHE 562 2HB PHE 562 -2.616 11.588 0.029 234 HB3 PHE 562 3HB PHE 562 -1.881 12.648 -1.152 235 HD1 PHE 562 1HD PHE 562 -3.166 14.621 -2.027 236 HD2 PHE 562 2HD PHE 562 -4.794 11.975 0.956 237 HE1 PHE 562 1HE PHE 562 -4.938 16.294 -1.512 238 HE2 PHE 562 2HE PHE 562 -6.549 13.655 1.490 239 HZ PHE 562 HZ PHE 562 -6.644 15.801 0.233 240 H GLU 563 H GLU 563 -5.106 9.902 -0.724 241 HA GLU 563 HA GLU 563 -7.341 11.002 -2.346 242 HB2 GLU 563 2HB GLU 563 -6.607 8.057 -2.125 243 HB3 GLU 563 3HB GLU 563 -8.240 8.605 -2.520 244 HG2 GLU 563 2HG GLU 563 -7.424 9.813 -4.496 245 HG3 GLU 563 3HG GLU 563 -5.757 9.378 -4.104 246 H VAL 564 H VAL 564 -9.466 10.573 -1.390 247 HA VAL 564 HA VAL 564 -9.427 9.963 1.545 248 HB VAL 564 HB VAL 564 -11.019 12.246 0.331 249 HG11 VAL 564 1HG1 VAL 564 -11.394 12.993 2.489 250 HG12 VAL 564 2HG1 VAL 564 -11.810 11.302 2.558 251 HG13 VAL 564 3HG1 VAL 564 -10.248 11.838 3.230 252 HG21 VAL 564 3HG2 VAL 564 -9.372 13.757 1.463 253 HG22 VAL 564 1HG2 VAL 564 -8.337 12.327 1.738 254 HG23 VAL 564 2HG2 VAL 564 -8.699 12.868 0.078 255 H PHE 565 H PHE 565 -11.258 9.023 2.408 256 HA PHE 565 HA PHE 565 -13.644 8.656 0.654 257 HB2 PHE 565 2HB PHE 565 -12.428 6.501 2.389 258 HB3 PHE 565 3HB PHE 565 -13.957 6.398 1.548 259 HD1 PHE 565 1HD PHE 565 -10.248 6.724 1.019 260 HD2 PHE 565 2HD PHE 565 -14.067 5.713 -0.728 261 HE1 PHE 565 1HE PHE 565 -9.096 5.744 -0.955 262 HE2 PHE 565 2HE PHE 565 -12.905 4.713 -2.673 263 HZ PHE 565 HZ PHE 565 -10.416 4.708 -2.776 264 H GLN 566 H GLN 566 -15.613 8.704 1.701 265 HA GLN 566 HA GLN 566 -15.598 10.142 4.292 266 HB2 GLN 566 2HB GLN 566 -17.960 9.484 2.537 267 HB3 GLN 566 3HB GLN 566 -17.835 10.745 3.765 268 HG2 GLN 566 2HG GLN 566 -16.550 10.712 1.013 269 HG3 GLN 566 3HG GLN 566 -17.977 11.619 1.500 270 HE21 GLN 566 HE21 GLN 566 -14.579 11.737 1.264 271 HE22 GLN 566 HE22 GLN 566 -14.352 13.065 2.409 272 HA PRO 567 HA PRO 567 -16.689 6.867 6.885 273 HB2 PRO 567 2HB PRO 567 -19.234 8.043 7.900 274 HB3 PRO 567 3HB PRO 567 -17.756 7.623 8.788 275 HG2 PRO 567 2HG PRO 567 -18.479 10.221 8.195 276 HG3 PRO 567 3HG PRO 567 -16.782 9.698 8.309 277 HD2 PRO 567 2HD PRO 567 -18.441 10.185 5.867 278 HD3 PRO 567 3HD PRO 567 -16.703 10.508 6.145 279 H GLY 568 H GLY 568 -17.396 4.862 6.341 280 HA2 GLY 568 2HA GLY 568 -19.083 3.208 6.294 281 HA3 GLY 568 3HA GLY 568 -20.247 4.384 5.682 282 H ASP 569 H ASP 569 -17.499 4.975 3.895 283 HA ASP 569 HA ASP 569 -18.674 3.581 1.675 284 HB2 ASP 569 2HB ASP 569 -17.971 6.061 1.745 285 HB3 ASP 569 3HB ASP 569 -16.316 5.484 1.540 286 H TYR 570 H TYR 570 -17.878 1.836 0.641 287 HA TYR 570 HA TYR 570 -15.605 0.356 1.615 288 HB2 TYR 570 2HB TYR 570 -17.189 0.073 -0.947 289 HB3 TYR 570 3HB TYR 570 -15.865 -0.990 -0.490 290 HD1 TYR 570 HD1 TYR 570 -16.003 -2.380 1.631 291 HD2 TYR 570 HD2 TYR 570 -19.374 -0.238 0.007 292 HE1 TYR 570 HE1 TYR 570 -17.552 -3.705 3.071 293 HE2 TYR 570 HE2 TYR 570 -20.901 -1.527 1.448 294 HH TYR 570 HH TYR 570 -21.090 -3.033 3.130 295 H ILE 571 H ILE 571 -13.534 0.846 1.407 296 HA ILE 571 HA ILE 571 -12.682 2.948 -0.405 297 HB ILE 571 HB ILE 571 -10.499 2.655 0.619 298 HG12 ILE 571 2HG1 ILE 571 -11.649 0.619 2.572 299 HG13 ILE 571 3HG1 ILE 571 -10.899 0.083 1.073 300 HG21 ILE 571 1HG2 ILE 571 -11.115 3.354 2.902 301 HG22 ILE 571 2HG2 ILE 571 -12.192 4.090 1.708 302 HG23 ILE 571 3HG2 ILE 571 -12.757 2.729 2.679 303 HD11 ILE 571 3HD1 ILE 571 -9.509 1.771 3.113 304 HD12 ILE 571 1HD1 ILE 571 -9.269 0.037 2.782 305 HD13 ILE 571 2HD1 ILE 571 -8.863 1.231 1.532 306 H ILE 572 H ILE 572 -12.427 -0.544 -0.388 307 HA ILE 572 HA ILE 572 -10.878 -0.579 -2.924 308 HB ILE 572 HB ILE 572 -10.613 -2.180 -0.360 309 HG12 ILE 572 2HG1 ILE 572 -8.637 -0.617 -2.074 310 HG13 ILE 572 3HG1 ILE 572 -9.389 -0.012 -0.628 311 HG21 ILE 572 1HG2 ILE 572 -8.966 -3.625 -1.498 312 HG22 ILE 572 2HG2 ILE 572 -10.572 -3.851 -2.151 313 HG23 ILE 572 3HG2 ILE 572 -9.375 -2.873 -3.056 314 HD11 ILE 572 3HD1 ILE 572 -7.376 -2.273 -0.728 315 HD12 ILE 572 1HD1 ILE 572 -7.189 -0.656 -0.044 316 HD13 ILE 572 2HD1 ILE 572 -8.302 -1.805 0.726 317 H ARG 573 H ARG 573 -11.689 -1.843 -4.517 318 HA ARG 573 HA ARG 573 -13.301 -4.209 -3.771 319 HB2 ARG 573 2HB ARG 573 -14.660 -2.132 -4.841 320 HB3 ARG 573 3HB ARG 573 -14.105 -2.858 -6.337 321 HG2 ARG 573 2HG ARG 573 -15.812 -4.078 -4.143 322 HG3 ARG 573 3HG ARG 573 -16.290 -3.715 -5.792 323 HD2 ARG 573 2HD ARG 573 -14.314 -5.891 -4.961 324 HD3 ARG 573 3HD ARG 573 -16.003 -6.154 -5.326 325 HE ARG 573 HE ARG 573 -13.826 -5.867 -7.206 326 HH11 ARG 573 1HH1 ARG 573 -17.359 -5.587 -6.946 327 HH12 ARG 573 2HH1 ARG 573 -17.503 -5.858 -8.685 328 HH21 ARG 573 1HH2 ARG 573 -14.255 -6.107 -9.438 329 HH22 ARG 573 2HH2 ARG 573 -15.943 -6.186 -9.916 330 H GLU 574 H GLU 574 -11.736 -5.650 -4.077 331 HA GLU 574 HA GLU 574 -9.688 -5.428 -6.136 332 HB2 GLU 574 2HB GLU 574 -10.056 -6.964 -3.781 333 HB3 GLU 574 3HB GLU 574 -9.932 -8.133 -5.086 334 HG2 GLU 574 2HG GLU 574 -7.963 -5.842 -4.697 335 HG3 GLU 574 3HG GLU 574 -7.774 -7.411 -3.929 336 H GLY 575 H GLY 575 -9.286 -7.133 -7.750 337 HA2 GLY 575 2HA GLY 575 -10.819 -9.109 -8.720 338 HA3 GLY 575 3HA GLY 575 -11.698 -7.715 -9.347 339 H THR 576 H THR 576 -8.091 -7.509 -9.151 340 HA THR 576 HA THR 576 -8.016 -8.430 -11.976 341 HB THR 576 HB THR 576 -8.519 -6.013 -12.036 342 HG1 THR 576 1HG THR 576 -7.036 -5.743 -13.727 343 HG21 THR 576 1HG2 THR 576 -5.572 -5.638 -11.366 344 HG22 THR 576 2HG2 THR 576 -6.906 -5.230 -10.267 345 HG23 THR 576 3HG2 THR 576 -6.751 -4.386 -11.813 346 H ILE 577 H ILE 577 -6.122 -8.698 -12.969 347 HA ILE 577 HA ILE 577 -3.973 -9.737 -11.241 348 HB ILE 577 HB ILE 577 -4.406 -9.760 -14.251 349 HG12 ILE 577 2HG1 ILE 577 -4.262 -12.207 -14.015 350 HG13 ILE 577 3HG1 ILE 577 -4.001 -12.060 -12.291 351 HG21 ILE 577 1HG2 ILE 577 -2.010 -9.383 -13.941 352 HG22 ILE 577 2HG2 ILE 577 -1.931 -10.678 -12.721 353 HG23 ILE 577 3HG2 ILE 577 -2.277 -11.053 -14.423 354 HD11 ILE 577 3HD1 ILE 577 -6.291 -11.361 -11.934 355 HD12 ILE 577 1HD1 ILE 577 -6.567 -11.215 -13.690 356 HD13 ILE 577 2HD1 ILE 577 -6.292 -12.803 -12.950 357 H GLY 578 H GLY 578 -2.288 -8.405 -10.658 358 HA2 GLY 578 2HA GLY 578 -0.527 -6.910 -11.048 359 HA3 GLY 578 3HA GLY 578 -1.342 -6.278 -12.472 360 H LYS 579 H LYS 579 -3.236 -6.500 -9.561 361 HA LYS 579 HA LYS 579 -4.028 -3.836 -9.572 362 HB2 LYS 579 2HB LYS 579 -5.217 -4.319 -7.567 363 HB3 LYS 579 3HB LYS 579 -5.298 -5.701 -8.638 364 HG2 LYS 579 2HG LYS 579 -4.465 -7.067 -7.088 365 HG3 LYS 579 3HG LYS 579 -3.005 -6.095 -6.903 366 HD2 LYS 579 2HD LYS 579 -4.252 -4.541 -5.402 367 HD3 LYS 579 3HD LYS 579 -5.668 -5.579 -5.506 368 HE2 LYS 579 2HE LYS 579 -2.937 -6.229 -4.278 369 HE3 LYS 579 3HE LYS 579 -4.473 -6.044 -3.433 370 HZ1 LYS 579 3HZ LYS 579 -5.241 -8.070 -4.713 371 HZ2 LYS 579 1HZ LYS 579 -3.994 -8.352 -3.640 372 HZ3 LYS 579 2HZ LYS 579 -3.696 -8.254 -5.233 373 H LYS 580 H LYS 580 -3.883 -2.106 -8.030 374 HA LYS 580 HA LYS 580 -1.070 -1.605 -7.319 375 HB2 LYS 580 2HB LYS 580 -1.539 0.664 -7.385 376 HB3 LYS 580 3HB LYS 580 -2.435 -0.035 -8.713 377 HG2 LYS 580 2HG LYS 580 -4.532 0.121 -7.334 378 HG3 LYS 580 3HG LYS 580 -3.587 0.849 -6.017 379 HD2 LYS 580 2HD LYS 580 -2.913 2.703 -7.491 380 HD3 LYS 580 3HD LYS 580 -3.819 1.974 -8.833 381 HE2 LYS 580 2HE LYS 580 -5.911 2.168 -7.421 382 HE3 LYS 580 3HE LYS 580 -4.977 3.125 -6.259 383 HZ1 LYS 580 3HZ LYS 580 -6.157 4.547 -7.857 384 HZ2 LYS 580 1HZ LYS 580 -5.427 3.804 -9.121 385 HZ3 LYS 580 2HZ LYS 580 -4.564 4.744 -8.076 386 H MET 581 H MET 581 -0.626 -0.131 -5.392 387 HA MET 581 HA MET 581 -1.668 -1.516 -2.965 388 HB2 MET 581 2HB MET 581 0.657 -1.829 -3.502 389 HB3 MET 581 3HB MET 581 0.946 -0.093 -3.577 390 HG2 MET 581 2HG MET 581 -0.063 -1.385 -1.030 391 HG3 MET 581 3HG MET 581 1.638 -1.472 -1.480 392 HE1 MET 581 3HE MET 581 2.336 -0.386 0.788 393 HE2 MET 581 1HE MET 581 1.652 1.132 1.414 394 HE3 MET 581 2HE MET 581 0.619 -0.305 1.223 395 H TYR 582 H TYR 582 -2.225 -0.402 -1.051 396 HA TYR 582 HA TYR 582 -2.640 2.527 -1.224 397 HB2 TYR 582 2HB TYR 582 -4.909 0.914 -0.171 398 HB3 TYR 582 3HB TYR 582 -4.918 2.471 -0.943 399 HD1 TYR 582 HD2 TYR 582 -4.753 -1.212 -1.466 400 HD2 TYR 582 HD1 TYR 582 -5.409 2.621 -3.324 401 HE1 TYR 582 HE2 TYR 582 -5.736 -2.342 -3.464 402 HE2 TYR 582 HE1 TYR 582 -6.428 1.488 -5.285 403 HH TYR 582 HH TYR 582 -6.988 -0.487 -6.263 404 H PHE 583 H PHE 583 -2.903 3.607 0.856 405 HA PHE 583 HA PHE 583 -2.579 2.006 3.285 406 HB2 PHE 583 2HB PHE 583 -0.443 2.867 3.975 407 HB3 PHE 583 3HB PHE 583 -0.314 1.989 2.481 408 HD1 PHE 583 1HD PHE 583 0.193 3.121 0.342 409 HD2 PHE 583 2HD PHE 583 0.215 5.217 4.105 410 HE1 PHE 583 1HE PHE 583 1.754 4.796 -0.608 411 HE2 PHE 583 2HE PHE 583 1.744 6.922 3.135 412 HZ PHE 583 HZ PHE 583 2.568 6.683 0.803 413 H ILE 584 H ILE 584 -2.504 3.175 5.308 414 HA ILE 584 HA ILE 584 -4.504 5.347 5.113 415 HB ILE 584 HB ILE 584 -3.712 3.805 7.624 416 HG12 ILE 584 2HG1 ILE 584 -5.739 3.017 5.486 417 HG13 ILE 584 3HG1 ILE 584 -4.289 2.133 5.947 418 HG21 ILE 584 1HG2 ILE 584 -6.382 5.150 6.819 419 HG22 ILE 584 2HG2 ILE 584 -5.933 4.524 8.405 420 HG23 ILE 584 3HG2 ILE 584 -5.139 5.965 7.777 421 HD11 ILE 584 3HD1 ILE 584 -5.923 0.965 7.013 422 HD12 ILE 584 1HD1 ILE 584 -5.321 2.026 8.306 423 HD13 ILE 584 2HD1 ILE 584 -6.841 2.432 7.479 424 H GLN 585 H GLN 585 -3.951 7.448 5.341 425 HA GLN 585 HA GLN 585 -1.390 8.104 6.705 426 HB2 GLN 585 2HB GLN 585 -1.868 8.841 4.393 427 HB3 GLN 585 3HB GLN 585 -3.192 9.844 4.971 428 HG2 GLN 585 2HG GLN 585 -0.401 10.204 6.111 429 HG3 GLN 585 3HG GLN 585 -0.774 10.824 4.514 430 HE21 GLN 585 HE21 GLN 585 -1.401 11.301 7.967 431 HE22 GLN 585 HE22 GLN 585 -2.114 12.896 7.735 432 H HIS 586 H HIS 586 -4.872 8.926 6.860 433 HA HIS 586 HA HIS 586 -4.656 9.455 9.767 434 HB2 HIS 586 2HB HIS 586 -4.107 11.625 8.740 435 HB3 HIS 586 3HB HIS 586 -5.538 11.509 7.720 436 HD1 HIS 586 1HD HIS 586 -4.511 12.328 11.298 437 HD2 HIS 586 2HD HIS 586 -7.881 12.265 8.772 438 HE1 HIS 586 1HE HIS 586 -6.312 13.720 12.461 439 H GLY 587 H GLY 587 -6.235 8.001 10.407 440 HA2 GLY 587 2HA GLY 587 -8.812 8.645 10.655 441 HA3 GLY 587 3HA GLY 587 -8.841 7.876 9.065 442 H VAL 588 H VAL 588 -10.179 6.279 9.927 443 HA VAL 588 HA VAL 588 -8.728 4.001 11.047 444 HB VAL 588 HB VAL 588 -11.385 5.016 12.174 445 HG11 VAL 588 1HG1 VAL 588 -11.264 3.144 13.778 446 HG12 VAL 588 2HG1 VAL 588 -11.427 2.548 12.138 447 HG13 VAL 588 3HG1 VAL 588 -9.840 2.503 12.944 448 HG21 VAL 588 3HG2 VAL 588 -9.527 6.243 13.164 449 HG22 VAL 588 1HG2 VAL 588 -10.155 5.104 14.341 450 HG23 VAL 588 2HG2 VAL 588 -8.652 4.722 13.486 451 H VAL 589 H VAL 589 -9.705 1.988 10.361 452 HA VAL 589 HA VAL 589 -11.987 2.163 8.441 453 HB VAL 589 HB VAL 589 -11.021 0.385 7.084 454 HG11 VAL 589 1HG1 VAL 589 -9.458 1.753 5.822 455 HG12 VAL 589 2HG1 VAL 589 -10.795 2.751 6.399 456 HG13 VAL 589 3HG1 VAL 589 -9.222 2.834 7.214 457 HG21 VAL 589 3HG2 VAL 589 -9.463 -0.592 8.726 458 HG22 VAL 589 1HG2 VAL 589 -8.653 -0.204 7.220 459 HG23 VAL 589 2HG2 VAL 589 -8.445 0.862 8.629 460 H SER 590 H SER 590 -13.277 0.388 8.307 461 HA SER 590 HA SER 590 -13.139 -1.671 10.507 462 HB2 SER 590 2HB SER 590 -15.576 -0.183 9.346 463 HB3 SER 590 3HB SER 590 -15.686 -1.829 9.990 464 HG SER 590 HG SER 590 -15.246 0.565 11.401 465 H VAL 591 H VAL 591 -13.007 -3.564 9.730 466 HA VAL 591 HA VAL 591 -12.499 -3.827 6.807 467 HB VAL 591 HB VAL 591 -10.585 -2.824 7.890 468 HG11 VAL 591 1HG1 VAL 591 -11.050 -4.920 10.007 469 HG12 VAL 591 2HG1 VAL 591 -9.575 -3.906 9.980 470 HG13 VAL 591 3HG1 VAL 591 -11.111 -3.101 10.171 471 HG21 VAL 591 3HG2 VAL 591 -10.091 -5.745 8.316 472 HG22 VAL 591 1HG2 VAL 591 -9.993 -4.951 6.682 473 HG23 VAL 591 2HG2 VAL 591 -8.916 -4.430 8.034 474 H LEU 592 H LEU 592 -12.310 -6.012 6.111 475 HA LEU 592 HA LEU 592 -12.850 -8.026 8.242 476 HB2 LEU 592 2HB LEU 592 -13.551 -8.289 5.254 477 HB3 LEU 592 3HB LEU 592 -13.845 -9.482 6.494 478 HG LEU 592 HG LEU 592 -15.907 -8.615 5.882 479 HD11 LEU 592 1HD1 LEU 592 -15.248 -7.153 8.448 480 HD12 LEU 592 2HD1 LEU 592 -15.553 -8.908 8.322 481 HD13 LEU 592 3HD1 LEU 592 -16.824 -7.736 7.914 482 HD21 LEU 592 3HD2 LEU 592 -16.636 -6.353 5.830 483 HD22 LEU 592 1HD2 LEU 592 -15.170 -6.460 4.851 484 HD23 LEU 592 2HD2 LEU 592 -15.107 -5.747 6.476 485 H THR 593 H THR 593 -11.148 -9.448 8.558 486 HA THR 593 HA THR 593 -9.406 -9.859 6.125 487 HB THR 593 HB THR 593 -8.062 -11.305 7.863 488 HG1 THR 593 1HG THR 593 -7.956 -10.152 9.798 489 HG21 THR 593 1HG2 THR 593 -7.156 -9.509 6.511 490 HG22 THR 593 2HG2 THR 593 -6.663 -9.245 8.188 491 HG23 THR 593 3HG2 THR 593 -7.995 -8.286 7.482 492 H LYS 594 H LYS 594 -9.747 -11.422 4.802 493 HA LYS 594 HA LYS 594 -11.547 -13.558 5.246 494 HB2 LYS 594 2HB LYS 594 -10.967 -14.427 3.185 495 HB3 LYS 594 3HB LYS 594 -10.868 -12.686 3.011 496 HG2 LYS 594 2HG LYS 594 -8.527 -14.605 3.328 497 HG3 LYS 594 3HG LYS 594 -9.089 -13.892 1.817 498 HD2 LYS 594 2HD LYS 594 -8.522 -11.610 2.692 499 HD3 LYS 594 3HD LYS 594 -7.896 -12.368 4.168 500 HE2 LYS 594 2HE LYS 594 -6.012 -11.937 2.851 501 HE3 LYS 594 3HE LYS 594 -6.273 -13.676 2.778 502 HZ1 LYS 594 3HZ LYS 594 -7.153 -13.425 0.560 503 HZ2 LYS 594 1HZ LYS 594 -5.737 -12.569 0.665 504 HZ3 LYS 594 2HZ LYS 594 -7.200 -11.793 0.674 505 H GLY 595 H GLY 595 -11.435 -15.557 5.958 506 HA2 GLY 595 2HA GLY 595 -10.257 -17.488 7.026 507 HA3 GLY 595 3HA GLY 595 -8.931 -16.344 7.397 508 H ASN 596 H ASN 596 -10.628 -14.170 8.105 509 HA ASN 596 HA ASN 596 -10.608 -15.011 10.960 510 HB2 ASN 596 2HB ASN 596 -9.558 -12.445 9.769 511 HB3 ASN 596 3HB ASN 596 -9.264 -13.079 11.322 512 HD21 ASN 596 HD21 ASN 596 -7.091 -12.263 9.892 513 HD22 ASN 596 HD22 ASN 596 -6.140 -13.709 9.647 514 H LYS 597 H LYS 597 -10.962 -11.976 11.444 515 HA LYS 597 HA LYS 597 -13.902 -12.148 11.464 516 HB2 LYS 597 2HB LYS 597 -12.005 -10.964 13.548 517 HB3 LYS 597 3HB LYS 597 -13.747 -10.898 13.643 518 HG2 LYS 597 2HG LYS 597 -13.026 -12.573 15.132 519 HG3 LYS 597 3HG LYS 597 -13.901 -13.345 13.835 520 HD2 LYS 597 2HD LYS 597 -11.887 -14.590 14.707 521 HD3 LYS 597 3HD LYS 597 -11.955 -14.387 12.977 522 HE2 LYS 597 2HE LYS 597 -9.688 -13.962 13.553 523 HE3 LYS 597 3HE LYS 597 -10.376 -12.385 13.230 524 HZ1 LYS 597 3HZ LYS 597 -10.795 -12.413 15.821 525 HZ2 LYS 597 1HZ LYS 597 -9.303 -12.086 15.258 526 HZ3 LYS 597 2HZ LYS 597 -9.633 -13.588 15.819 527 H GLU 598 H GLU 598 -15.077 -10.177 11.945 528 HA GLU 598 HA GLU 598 -14.173 -7.950 10.289 529 HB2 GLU 598 2HB GLU 598 -16.118 -6.765 10.884 530 HB3 GLU 598 3HB GLU 598 -16.585 -8.407 10.466 531 HG2 GLU 598 2HG GLU 598 -17.795 -8.433 12.313 532 HG3 GLU 598 3HG GLU 598 -16.267 -8.650 13.165 533 H MET 599 H MET 599 -13.018 -6.397 10.901 534 HA MET 599 HA MET 599 -11.972 -6.036 13.637 535 HB2 MET 599 2HB MET 599 -10.813 -7.730 12.484 536 HB3 MET 599 3HB MET 599 -10.771 -6.787 11.016 537 HG2 MET 599 2HG MET 599 -9.194 -5.223 12.072 538 HG3 MET 599 3HG MET 599 -9.279 -6.149 13.585 539 HE1 MET 599 3HE MET 599 -9.220 -7.437 9.833 540 HE2 MET 599 1HE MET 599 -8.259 -5.949 9.919 541 HE3 MET 599 2HE MET 599 -7.449 -7.493 9.582 542 H LYS 600 H LYS 600 -10.630 -4.103 13.856 543 HA LYS 600 HA LYS 600 -11.035 -2.041 11.870 544 HB2 LYS 600 2HB LYS 600 -11.103 -2.175 14.863 545 HB3 LYS 600 3HB LYS 600 -9.832 -1.086 14.390 546 HG2 LYS 600 2HG LYS 600 -11.782 0.123 14.888 547 HG3 LYS 600 3HG LYS 600 -11.347 0.301 13.180 548 HD2 LYS 600 2HD LYS 600 -13.726 0.151 13.407 549 HD3 LYS 600 3HD LYS 600 -13.126 -1.280 12.567 550 HE2 LYS 600 2HE LYS 600 -13.377 -2.646 14.579 551 HE3 LYS 600 3HE LYS 600 -13.838 -1.218 15.521 552 HZ1 LYS 600 3HZ LYS 600 -15.804 -2.448 14.777 553 HZ2 LYS 600 1HZ LYS 600 -15.368 -2.302 13.210 554 HZ3 LYS 600 2HZ LYS 600 -15.759 -0.958 14.069 555 H LEU 601 H LEU 601 -9.403 -0.616 11.352 556 HA LEU 601 HA LEU 601 -6.595 -1.199 12.143 557 HB2 LEU 601 2HB LEU 601 -7.685 -1.617 9.461 558 HB3 LEU 601 3HB LEU 601 -6.532 -0.293 9.433 559 HG LEU 601 HG LEU 601 -4.810 -1.825 10.406 560 HD11 LEU 601 1HD1 LEU 601 -7.031 -3.870 9.982 561 HD12 LEU 601 2HD1 LEU 601 -6.191 -3.491 11.502 562 HD13 LEU 601 3HD1 LEU 601 -5.313 -4.296 10.204 563 HD21 LEU 601 3HD2 LEU 601 -5.101 -1.434 7.932 564 HD22 LEU 601 1HD2 LEU 601 -6.172 -2.849 7.866 565 HD23 LEU 601 2HD2 LEU 601 -4.463 -3.043 8.309 566 H SER 602 H SER 602 -5.253 0.682 12.137 567 HA SER 602 HA SER 602 -6.671 3.320 11.937 568 HB2 SER 602 2HB SER 602 -5.371 4.099 13.836 569 HB3 SER 602 3HB SER 602 -6.352 2.698 14.263 570 HG SER 602 HG SER 602 -4.119 2.667 15.035 571 H ASP 603 H ASP 603 -5.082 5.219 11.951 572 HA ASP 603 HA ASP 603 -3.666 5.245 9.534 573 HB2 ASP 603 2HB ASP 603 -2.857 7.398 10.143 574 HB3 ASP 603 3HB ASP 603 -4.540 7.241 10.626 575 H GLY 604 H GLY 604 -1.586 5.076 8.852 576 HA2 GLY 604 2HA GLY 604 0.735 4.530 9.092 577 HA3 GLY 604 3HA GLY 604 0.420 3.967 10.727 578 H SER 605 H SER 605 -2.057 2.588 9.219 579 HA SER 605 HA SER 605 -0.705 0.009 8.697 580 HB2 SER 605 2HB SER 605 -3.635 0.741 8.572 581 HB3 SER 605 3HB SER 605 -2.938 -0.899 8.639 582 HG SER 605 HG SER 605 -3.141 1.085 10.621 583 H TYR 606 H TYR 606 -1.432 -1.289 6.751 584 HA TYR 606 HA TYR 606 -2.399 0.278 4.449 585 HB2 TYR 606 2HB TYR 606 -0.666 -0.235 2.977 586 HB3 TYR 606 3HB TYR 606 0.128 0.392 4.406 587 HD1 TYR 606 HD2 TYR 606 1.250 -1.191 5.969 588 HD2 TYR 606 HD1 TYR 606 -0.240 -2.448 2.141 589 HE1 TYR 606 HE2 TYR 606 2.695 -3.251 6.081 590 HE2 TYR 606 HE1 TYR 606 1.194 -4.483 2.236 591 HH TYR 606 HH TYR 606 2.504 -5.815 3.642 592 H PHE 607 H PHE 607 -2.877 -1.007 2.543 593 HA PHE 607 HA PHE 607 -3.382 -3.884 2.874 594 HB2 PHE 607 2HB PHE 607 -5.916 -3.404 2.342 595 HB3 PHE 607 3HB PHE 607 -5.293 -3.356 3.970 596 HD1 PHE 607 2HD PHE 607 -5.065 -0.697 1.317 597 HD2 PHE 607 1HD PHE 607 -6.719 -1.893 5.109 598 HE1 PHE 607 2HE PHE 607 -5.903 1.600 1.676 599 HE2 PHE 607 1HE PHE 607 -7.583 0.416 5.432 600 HZ PHE 607 HZ PHE 607 -7.116 2.174 3.768 601 H GLY 608 H GLY 608 -4.971 -4.495 0.924 602 HA2 GLY 608 2HA GLY 608 -5.072 -4.636 -1.485 603 HA3 GLY 608 3HA GLY 608 -3.656 -3.583 -1.615 604 H GLU 609 H GLU 609 -4.497 -6.664 0.039 605 HA GLU 609 HA GLU 609 -2.045 -7.580 0.543 606 HB2 GLU 609 2HB GLU 609 -4.142 -8.609 1.319 607 HB3 GLU 609 3HB GLU 609 -4.315 -9.425 -0.243 608 HG2 GLU 609 2HG GLU 609 -2.129 -10.576 0.137 609 HG3 GLU 609 3HG GLU 609 -1.946 -9.717 1.671 610 H ILE 610 H ILE 610 -0.350 -8.045 -0.370 611 HA ILE 610 HA ILE 610 1.292 -8.589 -1.766 612 HB ILE 610 HB ILE 610 -0.183 -11.206 -1.590 613 HG12 ILE 610 2HG1 ILE 610 1.969 -10.202 0.260 614 HG13 ILE 610 3HG1 ILE 610 0.270 -9.963 0.623 615 HG21 ILE 610 1HG2 ILE 610 2.136 -12.184 -1.791 616 HG22 ILE 610 2HG2 ILE 610 1.677 -11.291 -3.237 617 HG23 ILE 610 3HG2 ILE 610 2.767 -10.552 -2.055 618 HD11 ILE 610 3HD1 ILE 610 -0.116 -12.416 0.552 619 HD12 ILE 610 1HD1 ILE 610 1.631 -12.664 0.322 620 HD13 ILE 610 2HD1 ILE 610 1.032 -11.910 1.805 621 H CYS 611 H CYS 611 1.335 -7.463 -3.559 622 HA CYS 611 HA CYS 611 1.000 -9.169 -5.974 623 HB2 CYS 611 2HB CYS 611 0.704 -7.067 -7.328 624 HB3 CYS 611 3HB CYS 611 -0.610 -7.610 -6.300 625 HG CYS 611 HG CYS 611 -0.468 -4.940 -6.360 626 H LEU 612 H LEU 612 2.545 -6.267 -6.589 627 HA LEU 612 HA LEU 612 4.496 -5.840 -7.584 628 HB2 LEU 612 2HB LEU 612 5.387 -6.897 -4.879 629 HB3 LEU 612 3HB LEU 612 6.543 -6.213 -6.017 630 HG LEU 612 HG LEU 612 4.102 -4.691 -5.079 631 HD11 LEU 612 1HD1 LEU 612 5.424 -5.217 -3.124 632 HD12 LEU 612 2HD1 LEU 612 5.603 -3.501 -3.544 633 HD13 LEU 612 3HD1 LEU 612 6.907 -4.649 -3.931 634 HD21 LEU 612 3HD2 LEU 612 5.080 -2.792 -6.006 635 HD22 LEU 612 1HD2 LEU 612 5.565 -3.984 -7.213 636 HD23 LEU 612 2HD2 LEU 612 6.731 -3.471 -6.001 637 H LEU 613 H LEU 613 5.512 -8.864 -5.988 638 HA LEU 613 HA LEU 613 6.989 -9.686 -8.406 639 HB2 LEU 613 2HB LEU 613 8.395 -10.949 -7.051 640 HB3 LEU 613 3HB LEU 613 8.190 -9.411 -6.271 641 HG LEU 613 HG LEU 613 8.323 -11.029 -4.609 642 HD11 LEU 613 1HD1 LEU 613 6.547 -9.339 -4.218 643 HD12 LEU 613 2HD1 LEU 613 6.328 -10.850 -3.317 644 HD13 LEU 613 3HD1 LEU 613 5.348 -10.546 -4.755 645 HD21 LEU 613 3HD2 LEU 613 7.137 -13.044 -4.341 646 HD22 LEU 613 1HD2 LEU 613 7.723 -13.037 -6.012 647 HD23 LEU 613 2HD2 LEU 613 6.019 -12.687 -5.657 648 H THR 614 H THR 614 4.039 -10.453 -6.870 649 HA THR 614 HA THR 614 3.885 -12.988 -8.473 650 HB THR 614 HB THR 614 3.424 -13.244 -6.036 651 HG1 THR 614 1HG THR 614 2.418 -14.838 -6.686 652 HG21 THR 614 1HG2 THR 614 2.064 -11.228 -5.603 653 HG22 THR 614 2HG2 THR 614 1.192 -12.716 -5.205 654 HG23 THR 614 3HG2 THR 614 0.797 -11.840 -6.694 655 H ARG 615 H ARG 615 1.877 -13.332 -9.610 656 HA ARG 615 HA ARG 615 0.569 -10.795 -10.577 657 HB2 ARG 615 2HB ARG 615 1.735 -13.001 -12.332 658 HB3 ARG 615 3HB ARG 615 0.777 -11.623 -12.900 659 HG2 ARG 615 2HG ARG 615 2.516 -10.057 -12.060 660 HG3 ARG 615 3HG ARG 615 3.465 -11.429 -11.469 661 HD2 ARG 615 2HD ARG 615 3.533 -12.310 -13.832 662 HD3 ARG 615 3HD ARG 615 2.855 -10.757 -14.364 663 HE ARG 615 HE ARG 615 4.904 -9.830 -12.931 664 HH11 ARG 615 1HH1 ARG 615 5.107 -12.561 -15.215 665 HH12 ARG 615 2HH1 ARG 615 6.872 -12.505 -15.099 666 HH21 ARG 615 1HH2 ARG 615 7.126 -9.803 -13.120 667 HH22 ARG 615 2HH2 ARG 615 7.883 -11.062 -14.090 668 H GLY 616 H GLY 616 -1.316 -11.127 -9.586 669 HA2 GLY 616 2HA GLY 616 -3.292 -12.937 -10.532 670 HA3 GLY 616 3HA GLY 616 -2.520 -13.644 -9.123 671 H ARG 617 H ARG 617 -5.280 -12.495 -9.626 672 HA ARG 617 HA ARG 617 -5.556 -10.137 -7.898 673 HB2 ARG 617 2HB ARG 617 -7.902 -10.316 -8.267 674 HB3 ARG 617 3HB ARG 617 -7.067 -10.597 -9.789 675 HG2 ARG 617 2HG ARG 617 -7.339 -13.163 -9.135 676 HG3 ARG 617 3HG ARG 617 -8.612 -12.543 -8.073 677 HD2 ARG 617 2HD ARG 617 -9.679 -11.461 -10.051 678 HD3 ARG 617 3HD ARG 617 -8.371 -12.099 -11.073 679 HE ARG 617 HE ARG 617 -9.680 -14.203 -9.541 680 HH11 ARG 617 1HH1 ARG 617 -10.218 -12.375 -12.517 681 HH12 ARG 617 2HH1 ARG 617 -10.930 -13.783 -13.292 682 HH21 ARG 617 1HH2 ARG 617 -10.641 -15.797 -10.521 683 HH22 ARG 617 2HH2 ARG 617 -11.248 -15.648 -12.163 684 H ARG 618 H ARG 618 -5.893 -10.052 -5.777 685 HA ARG 618 HA ARG 618 -6.220 -12.557 -4.193 686 HB2 ARG 618 2HB ARG 618 -3.829 -12.296 -4.549 687 HB3 ARG 618 3HB ARG 618 -3.864 -10.670 -3.869 688 HG2 ARG 618 2HG ARG 618 -4.390 -11.488 -1.682 689 HG3 ARG 618 3HG ARG 618 -4.759 -13.116 -2.276 690 HD2 ARG 618 2HD ARG 618 -2.015 -11.858 -2.611 691 HD3 ARG 618 3HD ARG 618 -2.469 -12.717 -1.131 692 HE ARG 618 HE ARG 618 -3.114 -14.559 -3.026 693 HH11 ARG 618 1HH1 ARG 618 -0.088 -12.876 -2.485 694 HH12 ARG 618 2HH1 ARG 618 0.873 -14.257 -2.969 695 HH21 ARG 618 1HH2 ARG 618 -1.862 -16.243 -3.640 696 HH22 ARG 618 2HH2 ARG 618 -0.120 -16.162 -3.505 697 H THR 619 H THR 619 -8.010 -12.173 -3.148 698 HA THR 619 HA THR 619 -9.006 -9.497 -3.085 699 HB THR 619 HB THR 619 -10.417 -11.967 -2.032 700 HG1 THR 619 1HG THR 619 -10.999 -12.438 -4.023 701 HG21 THR 619 1HG2 THR 619 -11.402 -9.407 -3.378 702 HG22 THR 619 2HG2 THR 619 -11.787 -9.983 -1.735 703 HG23 THR 619 3HG2 THR 619 -12.410 -10.842 -3.133 704 H ALA 620 H ALA 620 -10.046 -8.354 -1.453 705 HA ALA 620 HA ALA 620 -10.238 -9.343 1.241 706 HB1 ALA 620 1HB ALA 620 -8.665 -6.774 0.703 707 HB2 ALA 620 2HB ALA 620 -9.146 -7.385 2.305 708 HB3 ALA 620 3HB ALA 620 -7.988 -8.298 1.326 709 H SER 621 H SER 621 -11.550 -7.659 2.592 710 HA SER 621 HA SER 621 -13.175 -5.772 0.954 711 HB2 SER 621 2HB SER 621 -14.517 -7.828 1.167 712 HB3 SER 621 3HB SER 621 -14.339 -7.765 2.932 713 HG SER 621 HG SER 621 -16.273 -6.786 2.356 714 H VAL 622 H VAL 622 -13.215 -3.788 1.894 715 HA VAL 622 HA VAL 622 -13.374 -3.480 4.779 716 HB VAL 622 HB VAL 622 -11.050 -3.784 4.779 717 HG11 VAL 622 1HG1 VAL 622 -10.431 -3.617 2.487 718 HG12 VAL 622 2HG1 VAL 622 -10.819 -1.883 2.447 719 HG13 VAL 622 3HG1 VAL 622 -9.449 -2.484 3.417 720 HG21 VAL 622 3HG2 VAL 622 -10.113 -1.763 5.596 721 HG22 VAL 622 1HG2 VAL 622 -11.317 -0.767 4.755 722 HG23 VAL 622 2HG2 VAL 622 -11.805 -1.828 6.095 723 H ARG 623 H ARG 623 -14.118 -1.498 5.493 724 HA ARG 623 HA ARG 623 -14.570 0.604 3.442 725 HB2 ARG 623 2HB ARG 623 -16.719 1.090 4.092 726 HB3 ARG 623 3HB ARG 623 -16.720 -0.646 3.926 727 HG2 ARG 623 2HG ARG 623 -16.291 0.573 6.670 728 HG3 ARG 623 3HG ARG 623 -17.886 0.660 5.935 729 HD2 ARG 623 2HD ARG 623 -18.037 -1.747 5.772 730 HD3 ARG 623 3HD ARG 623 -16.381 -1.934 6.380 731 HE ARG 623 HE ARG 623 -17.866 -0.378 8.261 732 HH11 ARG 623 1HH1 ARG 623 -18.042 -3.698 7.069 733 HH12 ARG 623 2HH1 ARG 623 -18.260 -4.343 8.682 734 HH21 ARG 623 1HH2 ARG 623 -18.420 -1.306 10.248 735 HH22 ARG 623 2HH2 ARG 623 -18.688 -3.033 10.338 736 H ALA 624 H ALA 624 -14.861 2.736 4.205 737 HA ALA 624 HA ALA 624 -12.929 3.539 6.191 738 HB1 ALA 624 1HB ALA 624 -13.583 4.851 4.173 739 HB2 ALA 624 2HB ALA 624 -15.202 5.069 4.863 740 HB3 ALA 624 3HB ALA 624 -13.784 5.767 5.672 741 H ASP 625 H ASP 625 -13.175 3.772 8.392 742 HA ASP 625 HA ASP 625 -15.774 3.271 9.694 743 HB2 ASP 625 2HB ASP 625 -13.260 2.854 10.562 744 HB3 ASP 625 3HB ASP 625 -13.395 4.508 11.086 745 H THR 626 H THR 626 -13.909 5.917 8.502 746 HA THR 626 HA THR 626 -15.642 8.041 9.667 747 HB THR 626 HB THR 626 -14.068 7.431 11.390 748 HG1 THR 626 1HG THR 626 -13.330 9.335 11.778 749 HG21 THR 626 1HG2 THR 626 -11.869 7.802 9.333 750 HG22 THR 626 2HG2 THR 626 -12.309 6.322 10.242 751 HG23 THR 626 3HG2 THR 626 -11.620 7.706 11.092 752 H TYR 627 H TYR 627 -14.316 10.225 8.966 753 HA TYR 627 HA TYR 627 -13.894 10.136 6.043 754 HB2 TYR 627 2HB TYR 627 -14.686 12.185 6.460 755 HB3 TYR 627 3HB TYR 627 -14.168 12.200 8.117 756 HD1 TYR 627 HD1 TYR 627 -12.900 12.644 4.622 757 HD2 TYR 627 HD2 TYR 627 -12.345 13.497 8.808 758 HE1 TYR 627 HE1 TYR 627 -11.060 14.290 4.064 759 HE2 TYR 627 HE2 TYR 627 -10.566 15.147 8.249 760 HH TYR 627 HH TYR 627 -9.451 15.701 4.919 761 H CYS 628 H CYS 628 -12.296 8.871 5.479 762 HA CYS 628 HA CYS 628 -9.778 8.832 7.070 763 HB2 CYS 628 2HB CYS 628 -9.500 6.542 6.580 764 HB3 CYS 628 3HB CYS 628 -11.118 6.647 6.947 765 HG CYS 628 HG CYS 628 -11.931 7.015 4.392 766 H ARG 629 H ARG 629 -8.035 9.652 6.242 767 HA ARG 629 HA ARG 629 -7.866 10.198 3.312 768 HB2 ARG 629 2HB ARG 629 -7.676 12.186 4.583 769 HB3 ARG 629 3HB ARG 629 -6.464 11.484 5.655 770 HG2 ARG 629 2HG ARG 629 -4.805 11.364 3.952 771 HG3 ARG 629 3HG ARG 629 -6.010 11.767 2.717 772 HD2 ARG 629 2HD ARG 629 -4.617 13.669 3.241 773 HD3 ARG 629 3HD ARG 629 -6.302 13.989 3.663 774 HE ARG 629 HE ARG 629 -4.032 13.518 5.562 775 HH11 ARG 629 1HH1 ARG 629 -7.360 14.745 5.174 776 HH12 ARG 629 2HH1 ARG 629 -7.440 15.123 6.881 777 HH21 ARG 629 1HH2 ARG 629 -4.264 14.359 7.674 778 HH22 ARG 629 2HH2 ARG 629 -5.853 14.948 8.141 779 H LEU 630 H LEU 630 -6.678 9.110 2.128 780 HA LEU 630 HA LEU 630 -4.819 7.042 3.213 781 HB2 LEU 630 2HB LEU 630 -6.790 6.636 0.937 782 HB3 LEU 630 3HB LEU 630 -5.764 5.430 1.694 783 HG LEU 630 HG LEU 630 -8.269 6.721 2.834 784 HD11 LEU 630 1HD1 LEU 630 -8.633 4.831 1.283 785 HD12 LEU 630 2HD1 LEU 630 -9.047 4.372 2.942 786 HD13 LEU 630 3HD1 LEU 630 -7.507 3.827 2.194 787 HD21 LEU 630 3HD2 LEU 630 -6.483 4.705 4.244 788 HD22 LEU 630 1HD2 LEU 630 -8.051 5.324 4.826 789 HD23 LEU 630 2HD2 LEU 630 -6.670 6.403 4.725 790 H TYR 631 H TYR 631 -3.641 6.039 1.211 791 HA TYR 631 HA TYR 631 -2.890 8.109 -0.811 792 HB2 TYR 631 2HB TYR 631 -1.236 6.906 1.312 793 HB3 TYR 631 3HB TYR 631 -0.570 6.646 -0.288 794 HD1 TYR 631 HD1 TYR 631 0.016 8.456 -1.748 795 HD2 TYR 631 HD2 TYR 631 -1.371 9.213 2.235 796 HE1 TYR 631 HE1 TYR 631 1.018 10.757 -1.846 797 HE2 TYR 631 HE2 TYR 631 -0.408 11.526 2.148 798 HH TYR 631 HH TYR 631 1.432 12.684 -0.699 799 H SER 632 H SER 632 -2.010 7.305 -2.802 800 HA SER 632 HA SER 632 -2.570 4.416 -3.332 801 HB2 SER 632 2HB SER 632 -3.079 6.814 -5.131 802 HB3 SER 632 3HB SER 632 -3.307 5.114 -5.592 803 HG SER 632 HG SER 632 -5.173 6.417 -4.842 804 H LEU 633 H LEU 633 -1.040 3.258 -4.314 805 HA LEU 633 HA LEU 633 1.131 4.677 -5.804 806 HB2 LEU 633 2HB LEU 633 1.475 3.953 -3.272 807 HB3 LEU 633 3HB LEU 633 1.710 2.354 -3.953 808 HG LEU 633 HG LEU 633 3.277 4.887 -4.618 809 HD11 LEU 633 1HD1 LEU 633 5.092 3.815 -3.364 810 HD12 LEU 633 2HD1 LEU 633 4.093 2.372 -3.088 811 HD13 LEU 633 3HD1 LEU 633 3.655 3.918 -2.336 812 HD21 LEU 633 3HD2 LEU 633 3.393 3.485 -6.579 813 HD22 LEU 633 1HD2 LEU 633 3.697 2.033 -5.594 814 HD23 LEU 633 2HD2 LEU 633 4.916 3.322 -5.713 815 H SER 634 H SER 634 0.952 3.982 -7.860 816 HA SER 634 HA SER 634 0.017 1.498 -8.840 817 HB2 SER 634 2HB SER 634 0.468 3.390 -10.322 818 HB3 SER 634 3HB SER 634 2.195 3.317 -9.926 819 HG SER 634 HG SER 634 2.016 2.213 -11.810 820 H VAL 635 H VAL 635 0.755 -0.499 -8.598 821 HA VAL 635 HA VAL 635 3.094 -1.266 -7.091 822 HB VAL 635 HB VAL 635 0.927 -2.688 -7.718 823 HG11 VAL 635 1HG1 VAL 635 1.551 -2.896 -10.217 824 HG12 VAL 635 2HG1 VAL 635 3.052 -3.731 -9.658 825 HG13 VAL 635 3HG1 VAL 635 1.462 -4.440 -9.337 826 HG21 VAL 635 3HG2 VAL 635 3.748 -3.651 -7.829 827 HG22 VAL 635 1HG2 VAL 635 2.865 -3.269 -6.285 828 HG23 VAL 635 2HG2 VAL 635 2.370 -4.651 -7.294 829 H ASP 636 H ASP 636 2.454 -0.875 -10.479 830 HA ASP 636 HA ASP 636 4.761 -2.143 -11.225 831 HB2 ASP 636 2HB ASP 636 3.252 0.112 -12.721 832 HB3 ASP 636 3HB ASP 636 4.345 -1.007 -13.517 833 H ASN 637 H ASN 637 4.231 1.200 -10.331 834 HA ASN 637 HA ASN 637 6.701 2.327 -11.387 835 HB2 ASN 637 2HB ASN 637 4.530 3.573 -10.885 836 HB3 ASN 637 3HB ASN 637 4.976 3.490 -9.174 837 HD21 ASN 637 HD22 ASN 637 6.523 4.242 -12.368 838 HD22 ASN 637 HD21 ASN 637 7.237 5.745 -11.791 839 H PHE 638 H PHE 638 5.658 0.884 -8.301 840 HA PHE 638 HA PHE 638 8.078 1.201 -6.779 841 HB2 PHE 638 2HB PHE 638 5.821 0.455 -5.995 842 HB3 PHE 638 3HB PHE 638 6.146 -1.090 -6.736 843 HD1 PHE 638 2HD PHE 638 8.773 -1.991 -5.955 844 HD2 PHE 638 1HD PHE 638 5.894 0.310 -3.725 845 HE1 PHE 638 2HE PHE 638 9.845 -2.710 -3.861 846 HE2 PHE 638 1HE PHE 638 6.982 -0.421 -1.608 847 HZ PHE 638 HZ PHE 638 8.980 -1.919 -1.690 848 H ASN 639 H ASN 639 6.965 -1.433 -8.974 849 HA ASN 639 HA ASN 639 9.437 -2.899 -8.931 850 HB2 ASN 639 2HB ASN 639 6.996 -2.773 -10.774 851 HB3 ASN 639 3HB ASN 639 8.351 -3.807 -11.175 852 HD21 ASN 639 HD21 ASN 639 5.506 -4.529 -10.423 853 HD22 ASN 639 HD22 ASN 639 5.809 -5.735 -9.192 854 H GLU 640 H GLU 640 8.639 0.007 -10.636 855 HA GLU 640 HA GLU 640 10.743 -0.204 -12.676 856 HB2 GLU 640 2HB GLU 640 8.742 0.615 -13.447 857 HB3 GLU 640 3HB GLU 640 8.433 1.528 -11.980 858 HG2 GLU 640 2HG GLU 640 9.753 3.268 -12.525 859 HG3 GLU 640 3HG GLU 640 10.601 2.412 -13.843 860 H VAL 641 H VAL 641 10.109 1.842 -9.793 861 HA VAL 641 HA VAL 641 12.716 3.113 -9.840 862 HB VAL 641 HB VAL 641 10.823 4.071 -8.631 863 HG11 VAL 641 1HG1 VAL 641 9.832 2.015 -7.721 864 HG12 VAL 641 2HG1 VAL 641 11.176 1.837 -6.592 865 HG13 VAL 641 3HG1 VAL 641 10.087 3.233 -6.486 866 HG21 VAL 641 3HG2 VAL 641 13.098 4.722 -7.911 867 HG22 VAL 641 1HG2 VAL 641 11.936 4.723 -6.553 868 HG23 VAL 641 2HG2 VAL 641 13.086 3.409 -6.708 869 H LEU 642 H LEU 642 11.587 0.016 -8.607 870 HA LEU 642 HA LEU 642 13.668 -1.096 -7.158 871 HB2 LEU 642 2HB LEU 642 11.495 -2.027 -8.223 872 HB3 LEU 642 3HB LEU 642 12.711 -2.726 -9.303 873 HG LEU 642 HG LEU 642 14.019 -3.397 -7.217 874 HD11 LEU 642 1HD1 LEU 642 13.183 -2.025 -5.392 875 HD12 LEU 642 2HD1 LEU 642 12.638 -3.652 -5.097 876 HD13 LEU 642 3HD1 LEU 642 11.492 -2.463 -5.796 877 HD21 LEU 642 3HD2 LEU 642 11.157 -4.187 -7.396 878 HD22 LEU 642 1HD2 LEU 642 12.479 -5.202 -6.722 879 HD23 LEU 642 2HD2 LEU 642 12.470 -4.775 -8.463 880 H GLU 643 H GLU 643 13.693 -0.495 -10.680 881 HA GLU 643 HA GLU 643 16.284 -1.782 -11.054 882 HB2 GLU 643 2HB GLU 643 14.499 -0.256 -12.950 883 HB3 GLU 643 3HB GLU 643 15.810 -1.320 -13.436 884 HG2 GLU 643 2HG GLU 643 13.598 -2.527 -11.769 885 HG3 GLU 643 3HG GLU 643 13.158 -1.956 -13.340 886 H GLU 644 H GLU 644 15.292 1.517 -10.328 887 HA GLU 644 HA GLU 644 17.535 2.879 -11.555 888 HB2 GLU 644 2HB GLU 644 15.562 3.591 -9.395 889 HB3 GLU 644 3HB GLU 644 16.747 4.702 -10.061 890 HG2 GLU 644 2HG GLU 644 14.855 3.244 -11.947 891 HG3 GLU 644 3HG GLU 644 14.268 4.526 -10.944 892 H TYR 645 H TYR 645 17.063 1.031 -8.717 893 HA TYR 645 HA TYR 645 19.771 1.661 -7.622 894 HB2 TYR 645 2HB TYR 645 17.247 1.238 -5.982 895 HB3 TYR 645 3HB TYR 645 18.871 1.535 -5.359 896 HD1 TYR 645 HD2 TYR 645 15.990 2.998 -7.163 897 HD2 TYR 645 HD1 TYR 645 19.817 3.819 -5.357 898 HE1 TYR 645 HE2 TYR 645 15.732 5.386 -7.736 899 HE2 TYR 645 HE1 TYR 645 19.502 6.248 -5.811 900 HH TYR 645 HH TYR 645 16.863 7.364 -7.933 901 HA PRO 646 HA PRO 646 18.588 -2.597 -9.035 902 HB2 PRO 646 2HB PRO 646 20.964 -3.392 -10.254 903 HB3 PRO 646 3HB PRO 646 19.674 -2.418 -11.010 904 HG2 PRO 646 2HG PRO 646 22.179 -1.411 -9.639 905 HG3 PRO 646 3HG PRO 646 21.540 -0.961 -11.259 906 HD2 PRO 646 2HD PRO 646 21.003 0.630 -9.169 907 HD3 PRO 646 3HD PRO 646 19.696 0.203 -10.293 908 H MET 647 H MET 647 20.891 -1.866 -6.567 909 HA MET 647 HA MET 647 21.387 -4.659 -5.831 910 HB2 MET 647 2HB MET 647 22.255 -3.820 -3.808 911 HB3 MET 647 3HB MET 647 22.787 -2.693 -5.069 912 HG2 MET 647 2HG MET 647 20.733 -1.314 -4.501 913 HG3 MET 647 3HG MET 647 20.470 -2.406 -3.138 914 HE1 MET 647 3HE MET 647 20.119 0.234 -2.505 915 HE2 MET 647 1HE MET 647 20.226 -1.104 -1.351 916 HE3 MET 647 2HE MET 647 21.102 0.419 -1.021 917 H MET 648 H MET 648 18.816 -2.301 -5.362 918 HA MET 648 HA MET 648 17.412 -3.698 -3.248 919 HB2 MET 648 2HB MET 648 16.552 -1.392 -5.025 920 HB3 MET 648 3HB MET 648 15.675 -1.956 -3.612 921 HG2 MET 648 2HG MET 648 18.525 -1.142 -3.207 922 HG3 MET 648 3HG MET 648 17.376 0.112 -3.623 923 HE1 MET 648 3HE MET 648 18.379 -2.606 -1.004 924 HE2 MET 648 1HE MET 648 17.235 -2.325 0.324 925 HE3 MET 648 2HE MET 648 16.671 -3.080 -1.178 926 H ARG 649 H ARG 649 17.145 -3.521 -6.809 927 HA ARG 649 HA ARG 649 14.900 -5.260 -7.179 928 HB2 ARG 649 2HB ARG 649 15.873 -4.230 -9.103 929 HB3 ARG 649 3HB ARG 649 17.479 -4.839 -8.739 930 HG2 ARG 649 2HG ARG 649 16.297 -5.934 -10.676 931 HG3 ARG 649 3HG ARG 649 16.956 -7.041 -9.469 932 HD2 ARG 649 2HD ARG 649 14.784 -7.406 -8.505 933 HD3 ARG 649 3HD ARG 649 14.044 -6.153 -9.520 934 HE ARG 649 HE ARG 649 14.685 -8.931 -10.197 935 HH11 ARG 649 1HH1 ARG 649 14.121 -5.877 -11.946 936 HH12 ARG 649 2HH1 ARG 649 13.024 -6.733 -13.005 937 HH21 ARG 649 1HH2 ARG 649 13.452 -9.784 -11.631 938 HH22 ARG 649 2HH2 ARG 649 12.754 -8.804 -12.935 939 H ARG 650 H ARG 650 18.303 -6.248 -6.894 940 HA ARG 650 HA ARG 650 17.692 -9.010 -6.670 941 HB2 ARG 650 2HB ARG 650 19.945 -8.398 -7.153 942 HB3 ARG 650 3HB ARG 650 20.038 -7.290 -5.770 943 HG2 ARG 650 2HG ARG 650 20.071 -9.143 -4.188 944 HG3 ARG 650 3HG ARG 650 19.861 -10.310 -5.508 945 HD2 ARG 650 2HD ARG 650 22.054 -9.671 -6.421 946 HD3 ARG 650 3HD ARG 650 22.124 -8.306 -5.280 947 HE ARG 650 HE ARG 650 23.144 -9.711 -3.802 948 HH11 ARG 650 1HH1 ARG 650 21.250 -11.946 -5.824 949 HH12 ARG 650 2HH1 ARG 650 21.441 -13.212 -4.606 950 HH21 ARG 650 1HH2 ARG 650 23.223 -11.426 -2.370 951 HH22 ARG 650 2HH2 ARG 650 22.410 -12.917 -2.811 952 H ALA 651 H ALA 651 18.090 -6.609 -4.130 953 HA ALA 651 HA ALA 651 17.712 -8.189 -1.858 954 HB1 ALA 651 1HB ALA 651 18.337 -5.723 -1.902 955 HB2 ALA 651 2HB ALA 651 16.610 -5.372 -2.171 956 HB3 ALA 651 3HB ALA 651 17.130 -6.162 -0.686 957 H PHE 652 H PHE 652 15.185 -7.193 -4.154 958 HA PHE 652 HA PHE 652 13.074 -8.479 -2.504 959 HB2 PHE 652 2HB PHE 652 13.143 -6.701 -4.928 960 HB3 PHE 652 3HB PHE 652 11.789 -7.797 -4.736 961 HD1 PHE 652 2HD PHE 652 13.668 -5.107 -2.898 962 HD2 PHE 652 1HD PHE 652 9.955 -7.233 -3.373 963 HE1 PHE 652 2HE PHE 652 12.550 -3.484 -1.383 964 HE2 PHE 652 1HE PHE 652 8.841 -5.625 -1.837 965 HZ PHE 652 HZ PHE 652 10.142 -3.752 -0.834 966 H GLU 653 H GLU 653 15.206 -9.384 -5.154 967 HA GLU 653 HA GLU 653 13.536 -11.663 -5.988 968 HB2 GLU 653 2HB GLU 653 16.432 -10.961 -6.581 969 HB3 GLU 653 3HB GLU 653 15.545 -12.282 -7.326 970 HG2 GLU 653 2HG GLU 653 14.705 -9.372 -7.543 971 HG3 GLU 653 3HG GLU 653 15.773 -10.157 -8.684 972 H THR 654 H THR 654 16.147 -11.150 -3.715 973 HA THR 654 HA THR 654 16.833 -13.922 -3.254 974 HB THR 654 HB THR 654 18.299 -12.019 -2.786 975 HG1 THR 654 1HG THR 654 18.600 -14.008 -1.648 976 HG21 THR 654 1HG2 THR 654 16.588 -11.509 -0.327 977 HG22 THR 654 2HG2 THR 654 16.551 -10.522 -1.801 978 HG23 THR 654 3HG2 THR 654 18.038 -10.623 -0.856 979 H VAL 655 H VAL 655 14.258 -12.001 -2.257 980 HA VAL 655 HA VAL 655 13.337 -13.836 -0.093 981 HB VAL 655 HB VAL 655 13.740 -11.478 0.430 982 HG11 VAL 655 1HG1 VAL 655 11.510 -10.809 -1.470 983 HG12 VAL 655 2HG1 VAL 655 12.282 -9.716 -0.301 984 HG13 VAL 655 3HG1 VAL 655 13.255 -10.421 -1.596 985 HG21 VAL 655 3HG2 VAL 655 11.676 -11.112 1.681 986 HG22 VAL 655 1HG2 VAL 655 10.792 -12.217 0.603 987 HG23 VAL 655 2HG2 VAL 655 12.048 -12.840 1.695 988 H ALA 656 H ALA 656 12.408 -12.534 -3.219 989 HA ALA 656 HA ALA 656 9.709 -13.272 -3.339 990 HB1 ALA 656 1HB ALA 656 11.822 -13.259 -5.530 991 HB2 ALA 656 2HB ALA 656 10.077 -13.383 -5.812 992 HB3 ALA 656 3HB ALA 656 10.727 -11.930 -5.055 993 H ILE 657 H ILE 657 12.458 -15.480 -3.500 994 HA ILE 657 HA ILE 657 10.983 -17.774 -4.449 995 HB ILE 657 HB ILE 657 13.405 -17.495 -4.637 996 HG12 ILE 657 2HG1 ILE 657 12.736 -20.004 -3.051 997 HG13 ILE 657 3HG1 ILE 657 12.173 -19.716 -4.702 998 HG21 ILE 657 1HG2 ILE 657 14.922 -17.871 -2.764 999 HG22 ILE 657 2HG2 ILE 657 13.883 -16.503 -2.385 1000 HG23 ILE 657 3HG2 ILE 657 13.569 -18.089 -1.644 1001 HD11 ILE 657 3HD1 ILE 657 14.157 -21.089 -4.771 1002 HD12 ILE 657 1HD1 ILE 657 14.520 -19.499 -5.471 1003 HD13 ILE 657 2HD1 ILE 657 15.081 -19.905 -3.828 1004 H ASP 658 H ASP 658 11.210 -16.264 -1.298 1005 HA ASP 658 HA ASP 658 9.996 -18.598 0.079 1006 HB2 ASP 658 2HB ASP 658 11.915 -17.381 1.100 1007 HB3 ASP 658 3HB ASP 658 10.920 -15.923 1.197 1008 H ARG 659 H ARG 659 9.363 -15.129 -0.474 1009 HA ARG 659 HA ARG 659 6.621 -15.040 0.432 1010 HB2 ARG 659 2HB ARG 659 8.348 -13.291 -1.353 1011 HB3 ARG 659 3HB ARG 659 6.641 -12.921 -1.048 1012 HG2 ARG 659 2HG ARG 659 7.097 -12.808 1.391 1013 HG3 ARG 659 3HG ARG 659 8.810 -13.152 1.082 1014 HD2 ARG 659 2HD ARG 659 8.905 -11.199 -0.460 1015 HD3 ARG 659 3HD ARG 659 7.212 -10.840 -0.120 1016 HE ARG 659 HE ARG 659 9.516 -10.131 1.533 1017 HH11 ARG 659 1HH1 ARG 659 6.014 -10.760 1.852 1018 HH12 ARG 659 2HH1 ARG 659 5.988 -9.726 3.266 1019 HH21 ARG 659 1HH2 ARG 659 9.261 -8.920 3.258 1020 HH22 ARG 659 2HH2 ARG 659 7.672 -8.797 4.047 1021 H LEU 660 H LEU 660 7.928 -16.336 -2.405 1022 HA LEU 660 HA LEU 660 5.965 -16.614 -4.308 1023 HB2 LEU 660 2HB LEU 660 8.108 -17.848 -4.237 1024 HB3 LEU 660 3HB LEU 660 7.552 -18.775 -2.849 1025 HG LEU 660 HG LEU 660 5.826 -19.873 -4.267 1026 HD11 LEU 660 1HD1 LEU 660 6.011 -19.667 -6.734 1027 HD12 LEU 660 2HD1 LEU 660 7.168 -18.345 -6.544 1028 HD13 LEU 660 3HD1 LEU 660 5.480 -18.157 -6.001 1029 HD21 LEU 660 3HD2 LEU 660 8.687 -19.977 -5.296 1030 HD22 LEU 660 1HD2 LEU 660 7.443 -21.211 -5.595 1031 HD23 LEU 660 2HD2 LEU 660 8.009 -20.910 -3.944 1032 H ASP 661 H ASP 661 5.927 -18.244 -1.101 1033 HA ASP 661 HA ASP 661 3.164 -19.210 -1.537 1034 HB2 ASP 661 2HB ASP 661 5.112 -19.697 0.731 1035 HB3 ASP 661 3HB ASP 661 3.495 -20.376 0.600 1036 H ARG 662 H ARG 662 1.429 -18.366 -0.664 1037 HA ARG 662 HA ARG 662 1.475 -15.819 0.718 1038 HB2 ARG 662 2HB ARG 662 -0.949 -15.896 0.312 1039 HB3 ARG 662 3HB ARG 662 0.055 -16.142 -1.102 1040 HG2 ARG 662 2HG ARG 662 -1.951 -17.549 -1.149 1041 HG3 ARG 662 3HG ARG 662 -0.475 -18.512 -1.186 1042 HD2 ARG 662 2HD ARG 662 -0.730 -19.061 1.190 1043 HD3 ARG 662 3HD ARG 662 -2.153 -18.003 1.299 1044 HE ARG 662 HE ARG 662 -2.550 -19.980 -0.741 1045 HH11 ARG 662 1HH1 ARG 662 -2.418 -19.769 2.773 1046 HH12 ARG 662 2HH1 ARG 662 -3.455 -21.180 2.948 1047 HH21 ARG 662 1HH2 ARG 662 -3.779 -21.736 -0.416 1048 HH22 ARG 662 2HH2 ARG 662 -4.186 -22.268 1.208 1049 H ILE 663 H ILE 663 2.232 -18.301 2.364 1050 HA ILE 663 HA ILE 663 1.605 -19.770 3.850 1051 HB ILE 663 HB ILE 663 1.329 -17.224 5.453 1052 HG12 ILE 663 2HG1 ILE 663 4.060 -17.707 5.131 1053 HG13 ILE 663 3HG1 ILE 663 3.551 -18.235 3.670 1054 HG21 ILE 663 1HG2 ILE 663 1.495 -19.465 6.661 1055 HG22 ILE 663 2HG2 ILE 663 3.004 -19.748 5.724 1056 HG23 ILE 663 3HG2 ILE 663 2.904 -18.437 6.923 1057 HD11 ILE 663 3HD1 ILE 663 2.577 -15.821 3.298 1058 HD12 ILE 663 1HD1 ILE 663 3.199 -15.441 4.910 1059 HD13 ILE 663 2HD1 ILE 663 4.316 -15.870 3.610 1060 H GLY 664 H GLY 664 0.371 -20.695 5.501 1061 HA2 GLY 664 2HA GLY 664 -2.547 -20.553 5.261 1062 HA3 GLY 664 3HA GLY 664 -1.596 -21.497 6.415 1063 H LYS 665 H LYS 665 -3.905 -19.812 6.960 1064 HA LYS 665 HA LYS 665 -2.703 -17.634 8.612 1065 HB2 LYS 665 2HB LYS 665 -5.089 -17.745 6.875 1066 HB3 LYS 665 3HB LYS 665 -5.330 -16.925 8.403 1067 HG2 LYS 665 2HG LYS 665 -4.718 -15.260 6.863 1068 HG3 LYS 665 3HG LYS 665 -3.357 -15.477 7.945 1069 HD2 LYS 665 2HD LYS 665 -2.594 -15.106 5.702 1070 HD3 LYS 665 3HD LYS 665 -2.139 -16.745 6.152 1071 HE2 LYS 665 2HE LYS 665 -3.790 -17.724 4.755 1072 HE3 LYS 665 3HE LYS 665 -4.755 -16.239 4.706 1073 HZ1 LYS 665 3HZ LYS 665 -3.122 -15.200 3.342 1074 HZ2 LYS 665 1HZ LYS 665 -3.580 -16.595 2.642 1075 HZ3 LYS 665 2HZ LYS 665 -2.111 -16.520 3.393 1076 H LYS 666 H LYS 666 -3.944 -16.974 10.523 1077 HA LYS 666 HA LYS 666 -4.517 -19.152 12.360 1078 HB2 LYS 666 2HB LYS 666 -3.370 -16.899 12.790 1079 HB3 LYS 666 3HB LYS 666 -4.981 -16.193 12.788 1080 HG2 LYS 666 2HG LYS 666 -5.578 -17.730 14.715 1081 HG3 LYS 666 3HG LYS 666 -3.910 -18.336 14.681 1082 HD2 LYS 666 2HD LYS 666 -3.083 -16.008 15.074 1083 HD3 LYS 666 3HD LYS 666 -4.762 -15.444 15.160 1084 HE2 LYS 666 2HE LYS 666 -5.135 -17.037 17.084 1085 HE3 LYS 666 3HE LYS 666 -3.420 -17.465 17.011 1086 HZ1 LYS 666 3HZ LYS 666 -3.707 -15.829 18.669 1087 HZ2 LYS 666 1HZ LYS 666 -4.530 -14.786 17.669 1088 HZ3 LYS 666 2HZ LYS 666 -2.927 -15.083 17.440 1089 H ASN 667 H ASN 667 -6.241 -19.600 10.356 1090 HA ASN 667 HA ASN 667 -8.559 -18.048 10.169 1091 HB2 ASN 667 2HB ASN 667 -8.195 -20.976 9.407 1092 HB3 ASN 667 3HB ASN 667 -9.452 -19.907 8.801 1093 HD21 ASN 667 HD21 ASN 667 -6.494 -21.225 8.011 1094 HD22 ASN 667 HD22 ASN 667 -6.123 -20.076 6.718 1095 H SER 668 H SER 668 -10.695 -18.243 10.815 1096 HA SER 668 HA SER 668 -11.693 -20.472 12.363 1097 HB2 SER 668 2HB SER 668 -12.312 -19.215 14.381 1098 HB3 SER 668 3HB SER 668 -10.569 -19.388 14.191 1099 HG SER 668 HG SER 668 -12.141 -17.129 14.192 1100 H ILE 669 H ILE 669 -13.936 -19.604 13.417 1101 HA ILE 669 HA ILE 669 -15.444 -19.184 10.929 1102 HB ILE 669 HB ILE 669 -17.154 -20.506 11.955 1103 HG12 ILE 669 2HG1 ILE 669 -15.504 -20.378 14.528 1104 HG13 ILE 669 3HG1 ILE 669 -17.100 -19.674 14.257 1105 HG21 ILE 669 1HG2 ILE 669 -15.117 -21.576 10.935 1106 HG22 ILE 669 2HG2 ILE 669 -14.436 -21.752 12.576 1107 HG23 ILE 669 3HG2 ILE 669 -15.927 -22.597 12.118 1108 HD11 ILE 669 3HD1 ILE 669 -16.424 -22.632 14.407 1109 HD12 ILE 669 1HD1 ILE 669 -17.394 -21.671 15.532 1110 HD13 ILE 669 2HD1 ILE 669 -18.008 -21.992 13.897 1111 H LEU 670 H LEU 670 -17.404 -18.093 10.777 1112 HA LEU 670 HA LEU 670 -18.033 -16.021 12.842 1113 HB2 LEU 670 2HB LEU 670 -17.885 -15.782 9.817 1114 HB3 LEU 670 3HB LEU 670 -18.715 -14.604 10.819 1115 HG LEU 670 HG LEU 670 -15.741 -15.226 11.017 1116 HD11 LEU 670 1HD1 LEU 670 -15.528 -12.965 9.985 1117 HD12 LEU 670 2HD1 LEU 670 -17.284 -12.900 9.783 1118 HD13 LEU 670 3HD1 LEU 670 -16.332 -14.116 8.909 1119 HD21 LEU 670 3HD2 LEU 670 -17.490 -13.107 12.358 1120 HD22 LEU 670 1HD2 LEU 670 -15.722 -13.106 12.363 1121 HD23 LEU 670 2HD2 LEU 670 -16.587 -14.409 13.170 1122 H LEU 671 H LEU 671 -20.175 -15.083 12.568 1123 HA LEU 671 HA LEU 671 -22.219 -17.035 12.805 1124 HB2 LEU 671 2HB LEU 671 -22.105 -14.971 14.094 1125 HB3 LEU 671 3HB LEU 671 -22.246 -14.004 12.633 1126 HG LEU 671 HG LEU 671 -24.584 -14.738 12.338 1127 HD11 LEU 671 1HD1 LEU 671 -24.546 -16.985 13.431 1128 HD12 LEU 671 2HD1 LEU 671 -25.770 -15.937 14.122 1129 HD13 LEU 671 3HD1 LEU 671 -24.243 -16.196 14.993 1130 HD21 LEU 671 3HD2 LEU 671 -25.493 -13.532 14.274 1131 HD22 LEU 671 1HD2 LEU 671 -24.060 -12.728 13.629 1132 HD23 LEU 671 2HD2 LEU 671 -23.938 -13.692 15.118 1133 H HIS 672 H HIS 672 -24.102 -17.266 11.762 1134 HA HIS 672 HA HIS 672 -24.196 -17.717 9.018 1135 HB2 HIS 672 2HB HIS 672 -25.423 -18.681 11.106 1136 HB3 HIS 672 3HB HIS 672 -26.584 -17.407 10.876 1137 HD1 HIS 672 1HD HIS 672 -27.483 -17.635 7.943 1138 HD2 HIS 672 2HD HIS 672 -25.999 -20.894 10.138 1139 HE1 HIS 672 1HE HIS 672 -28.360 -19.737 6.791 Start of MODEL 6 1 H ASN 534 H ASN 534 6.162 15.925 1.432 2 HA ASN 534 HA ASN 534 5.451 14.074 3.473 3 HB2 ASN 534 2HB ASN 534 4.599 14.156 1.096 4 HB3 ASN 534 3HB ASN 534 6.163 13.528 0.562 5 HD21 ASN 534 HD21 ASN 534 4.646 11.860 -0.343 6 HD22 ASN 534 HD22 ASN 534 4.190 10.539 0.749 7 H CYS 535 H CYS 535 6.718 12.983 4.805 8 HA CYS 535 HA CYS 535 9.611 12.785 4.235 9 HB2 CYS 535 2HB CYS 535 8.017 12.644 6.817 10 HB3 CYS 535 3HB CYS 535 9.773 12.406 6.707 11 HG CYS 535 HG CYS 535 8.168 15.031 5.444 12 H ARG 536 H ARG 536 10.792 10.947 4.296 13 HA ARG 536 HA ARG 536 9.580 8.620 3.277 14 HB2 ARG 536 2HB ARG 536 11.749 7.554 3.425 15 HB3 ARG 536 3HB ARG 536 11.879 9.202 2.807 16 HG2 ARG 536 2HG ARG 536 12.645 9.941 5.089 17 HG3 ARG 536 3HG ARG 536 12.602 8.256 5.623 18 HD2 ARG 536 2HD ARG 536 14.345 7.632 4.054 19 HD3 ARG 536 3HD ARG 536 14.218 9.178 3.211 20 HE ARG 536 HE ARG 536 15.594 10.171 4.737 21 HH11 ARG 536 1HH1 ARG 536 14.818 7.003 6.101 22 HH12 ARG 536 2HH1 ARG 536 15.598 7.414 7.617 23 HH21 ARG 536 1HH2 ARG 536 16.559 10.533 6.699 24 HH22 ARG 536 2HH2 ARG 536 16.856 9.150 7.761 25 H LYS 537 H LYS 537 10.101 9.345 6.650 26 HA LYS 537 HA LYS 537 9.877 6.961 8.034 27 HB2 LYS 537 2HB LYS 537 10.066 9.227 8.925 28 HB3 LYS 537 3HB LYS 537 8.366 9.545 8.528 29 HG2 LYS 537 2HG LYS 537 7.626 7.827 10.092 30 HG3 LYS 537 3HG LYS 537 9.294 7.258 10.324 31 HD2 LYS 537 2HD LYS 537 9.902 9.479 11.283 32 HD3 LYS 537 3HD LYS 537 8.232 10.018 11.045 33 HE2 LYS 537 2HE LYS 537 8.353 9.361 13.324 34 HE3 LYS 537 3HE LYS 537 7.476 8.078 12.466 35 HZ1 LYS 537 3HZ LYS 537 9.496 6.758 12.464 36 HZ2 LYS 537 1HZ LYS 537 9.156 7.175 13.990 37 HZ3 LYS 537 2HZ LYS 537 10.357 7.955 13.193 38 H LEU 538 H LEU 538 7.161 8.484 6.199 39 HA LEU 538 HA LEU 538 5.184 6.781 7.448 40 HB2 LEU 538 2HB LEU 538 4.613 8.965 6.514 41 HB3 LEU 538 3HB LEU 538 5.081 8.435 4.897 42 HG LEU 538 HG LEU 538 3.242 6.787 4.873 43 HD11 LEU 538 1HD1 LEU 538 1.468 6.858 6.616 44 HD12 LEU 538 2HD1 LEU 538 2.496 7.915 7.603 45 HD13 LEU 538 3HD1 LEU 538 2.992 6.242 7.252 46 HD21 LEU 538 3HD2 LEU 538 1.378 8.363 4.750 47 HD22 LEU 538 1HD2 LEU 538 2.845 9.086 4.056 48 HD23 LEU 538 2HD2 LEU 538 2.298 9.561 5.678 49 H VAL 539 H VAL 539 6.881 6.561 4.288 50 HA VAL 539 HA VAL 539 5.600 3.969 3.679 51 HB VAL 539 HB VAL 539 6.271 5.856 2.043 52 HG11 VAL 539 1HG1 VAL 539 8.650 5.916 2.595 53 HG12 VAL 539 2HG1 VAL 539 8.816 4.216 2.080 54 HG13 VAL 539 3HG1 VAL 539 8.378 5.470 0.894 55 HG21 VAL 539 3HG2 VAL 539 6.484 4.070 0.271 56 HG22 VAL 539 1HG2 VAL 539 6.487 2.884 1.608 57 HG23 VAL 539 2HG2 VAL 539 5.090 3.934 1.360 58 H ALA 540 H ALA 540 8.733 5.063 4.945 59 HA ALA 540 HA ALA 540 9.943 2.480 5.140 60 HB1 ALA 540 1HB ALA 540 10.403 4.966 6.823 61 HB2 ALA 540 2HB ALA 540 11.529 3.619 6.602 62 HB3 ALA 540 3HB ALA 540 11.146 4.673 5.224 63 H SER 541 H SER 541 7.092 3.283 6.684 64 HA SER 541 HA SER 541 7.738 2.396 9.380 65 HB2 SER 541 2HB SER 541 5.288 3.280 7.965 66 HB3 SER 541 3HB SER 541 5.197 2.535 9.544 67 HG SER 541 HG SER 541 6.740 4.842 8.876 68 H MET 542 H MET 542 7.149 0.953 6.407 69 HA MET 542 HA MET 542 5.743 -1.431 7.278 70 HB2 MET 542 2HB MET 542 6.931 -0.406 4.686 71 HB3 MET 542 3HB MET 542 6.188 -1.994 4.825 72 HG2 MET 542 2HG MET 542 4.052 -0.964 5.474 73 HG3 MET 542 3HG MET 542 4.789 0.640 5.420 74 HE1 MET 542 3HE MET 542 3.886 -2.547 3.438 75 HE2 MET 542 1HE MET 542 3.969 -2.048 1.731 76 HE3 MET 542 2HE MET 542 5.457 -2.274 2.672 77 HA PRO 543 HA PRO 543 9.547 -3.814 7.899 78 HB2 PRO 543 2HB PRO 543 8.601 -6.380 7.680 79 HB3 PRO 543 3HB PRO 543 8.298 -5.323 9.091 80 HG2 PRO 543 2HG PRO 543 6.481 -5.849 6.729 81 HG3 PRO 543 3HG PRO 543 6.063 -5.849 8.468 82 HD2 PRO 543 2HD PRO 543 5.606 -3.676 6.871 83 HD3 PRO 543 3HD PRO 543 6.092 -3.469 8.565 84 H LEU 544 H LEU 544 7.559 -4.325 4.953 85 HA LEU 544 HA LEU 544 9.565 -5.502 3.311 86 HB2 LEU 544 2HB LEU 544 7.248 -5.441 2.826 87 HB3 LEU 544 3HB LEU 544 7.187 -3.690 2.786 88 HG LEU 544 HG LEU 544 8.918 -5.161 0.774 89 HD11 LEU 544 1HD1 LEU 544 6.723 -6.270 0.747 90 HD12 LEU 544 2HD1 LEU 544 6.912 -5.266 -0.697 91 HD13 LEU 544 3HD1 LEU 544 5.910 -4.694 0.667 92 HD21 LEU 544 3HD2 LEU 544 8.148 -3.263 -0.665 93 HD22 LEU 544 1HD2 LEU 544 9.011 -2.673 0.758 94 HD23 LEU 544 2HD2 LEU 544 7.237 -2.600 0.694 95 H PHE 545 H PHE 545 9.457 -2.299 4.612 96 HA PHE 545 HA PHE 545 11.622 -1.322 2.823 97 HB2 PHE 545 2HB PHE 545 9.591 0.101 4.573 98 HB3 PHE 545 3HB PHE 545 11.002 0.899 3.925 99 HD1 PHE 545 2HD PHE 545 7.914 -0.942 2.805 100 HD2 PHE 545 1HD PHE 545 11.009 1.879 1.845 101 HE1 PHE 545 2HE PHE 545 6.565 -0.110 0.905 102 HE2 PHE 545 1HE PHE 545 9.681 2.685 -0.098 103 HZ PHE 545 HZ PHE 545 7.412 1.765 -0.487 104 H ALA 546 H ALA 546 11.579 -3.061 5.561 105 HA ALA 546 HA ALA 546 12.806 -1.654 7.675 106 HB1 ALA 546 1HB ALA 546 11.901 -3.963 7.733 107 HB2 ALA 546 2HB ALA 546 13.228 -4.473 6.635 108 HB3 ALA 546 3HB ALA 546 13.593 -3.922 8.286 109 H ASN 547 H ASN 547 14.188 -3.112 4.829 110 HA ASN 547 HA ASN 547 16.987 -2.528 5.638 111 HB2 ASN 547 2HB ASN 547 15.484 -4.833 4.618 112 HB3 ASN 547 3HB ASN 547 16.722 -4.425 3.496 113 HD21 ASN 547 HD21 ASN 547 16.126 -5.201 6.912 114 HD22 ASN 547 HD22 ASN 547 17.677 -5.998 7.057 115 H ALA 548 H ALA 548 14.815 -0.823 4.155 116 HA ALA 548 HA ALA 548 15.672 -0.602 1.458 117 HB1 ALA 548 1HB ALA 548 14.073 1.486 2.999 118 HB2 ALA 548 2HB ALA 548 14.101 1.221 1.254 119 HB3 ALA 548 3HB ALA 548 13.382 -0.006 2.309 120 H ASP 549 H ASP 549 16.741 0.968 0.277 121 HA ASP 549 HA ASP 549 18.830 2.601 1.509 122 HB2 ASP 549 2HB ASP 549 19.201 1.399 -0.573 123 HB3 ASP 549 3HB ASP 549 17.842 2.189 -1.344 124 HA PRO 550 HA PRO 550 15.977 5.943 2.305 125 HB2 PRO 550 2HB PRO 550 17.646 8.087 2.661 126 HB3 PRO 550 3HB PRO 550 17.519 6.733 3.825 127 HG2 PRO 550 2HG PRO 550 19.525 7.034 1.556 128 HG3 PRO 550 3HG PRO 550 19.877 6.757 3.291 129 HD2 PRO 550 2HD PRO 550 19.787 4.679 1.592 130 HD3 PRO 550 3HD PRO 550 18.973 4.524 3.181 131 H ASN 551 H ASN 551 17.868 5.874 -0.529 132 HA ASN 551 HA ASN 551 16.733 8.376 -1.713 133 HB2 ASN 551 2HB ASN 551 18.787 6.449 -2.867 134 HB3 ASN 551 3HB ASN 551 18.297 8.005 -3.536 135 HD21 ASN 551 HD21 ASN 551 20.109 6.377 -1.033 136 HD22 ASN 551 HD22 ASN 551 20.966 7.837 -0.466 137 H PHE 552 H PHE 552 16.802 4.844 -2.079 138 HA PHE 552 HA PHE 552 15.041 4.590 -4.341 139 HB2 PHE 552 2HB PHE 552 16.290 2.671 -3.664 140 HB3 PHE 552 3HB PHE 552 15.802 2.841 -1.994 141 HD1 PHE 552 2HD PHE 552 14.134 2.320 -5.333 142 HD2 PHE 552 1HD PHE 552 14.267 1.364 -1.137 143 HE1 PHE 552 2HE PHE 552 12.212 0.768 -5.621 144 HE2 PHE 552 1HE PHE 552 12.385 -0.228 -1.436 145 HZ PHE 552 HZ PHE 552 11.371 -0.530 -3.677 146 H VAL 553 H VAL 553 14.371 4.602 -0.819 147 HA VAL 553 HA VAL 553 11.556 4.337 -1.068 148 HB VAL 553 HB VAL 553 11.342 4.943 1.213 149 HG11 VAL 553 1HG1 VAL 553 12.528 2.792 0.484 150 HG12 VAL 553 2HG1 VAL 553 14.044 3.615 0.901 151 HG13 VAL 553 3HG1 VAL 553 12.837 3.330 2.166 152 HG21 VAL 553 3HG2 VAL 553 12.799 6.916 1.474 153 HG22 VAL 553 1HG2 VAL 553 13.307 5.616 2.590 154 HG23 VAL 553 2HG2 VAL 553 14.208 5.903 1.098 155 H THR 554 H THR 554 13.611 7.142 -1.156 156 HA THR 554 HA THR 554 11.491 9.139 -1.036 157 HB THR 554 HB THR 554 14.456 9.429 -1.639 158 HG1 THR 554 1HG THR 554 14.451 9.055 0.420 159 HG21 THR 554 1HG2 THR 554 12.237 11.441 -1.101 160 HG22 THR 554 2HG2 THR 554 13.249 11.318 -2.553 161 HG23 THR 554 3HG2 THR 554 13.986 11.832 -1.029 162 H ALA 555 H ALA 555 13.571 7.855 -3.719 163 HA ALA 555 HA ALA 555 12.582 9.665 -5.693 164 HB1 ALA 555 1HB ALA 555 14.705 8.449 -5.881 165 HB2 ALA 555 2HB ALA 555 13.843 6.894 -5.933 166 HB3 ALA 555 3HB ALA 555 13.657 8.063 -7.263 167 H MET 556 H MET 556 11.167 6.930 -4.229 168 HA MET 556 HA MET 556 9.191 6.178 -6.176 169 HB2 MET 556 2HB MET 556 10.050 5.026 -4.063 170 HB3 MET 556 3HB MET 556 8.984 6.091 -3.142 171 HG2 MET 556 2HG MET 556 7.035 5.207 -4.310 172 HG3 MET 556 3HG MET 556 8.053 4.240 -5.372 173 HE1 MET 556 3HE MET 556 9.589 1.556 -2.968 174 HE2 MET 556 1HE MET 556 9.849 2.523 -4.447 175 HE3 MET 556 2HE MET 556 10.289 3.178 -2.852 176 H LEU 557 H LEU 557 9.426 8.862 -3.862 177 HA LEU 557 HA LEU 557 6.567 9.316 -3.727 178 HB2 LEU 557 2HB LEU 557 8.807 11.037 -2.614 179 HB3 LEU 557 3HB LEU 557 7.132 10.981 -2.077 180 HG LEU 557 HG LEU 557 9.219 8.789 -1.760 181 HD11 LEU 557 1HD1 LEU 557 7.878 10.549 0.309 182 HD12 LEU 557 2HD1 LEU 557 9.552 10.686 -0.282 183 HD13 LEU 557 3HD1 LEU 557 9.049 9.236 0.613 184 HD21 LEU 557 3HD2 LEU 557 7.535 7.626 -0.361 185 HD22 LEU 557 1HD2 LEU 557 6.975 7.761 -2.026 186 HD23 LEU 557 2HD2 LEU 557 6.322 8.859 -0.782 187 H THR 558 H THR 558 8.996 10.500 -5.862 188 HA THR 558 HA THR 558 8.344 13.193 -6.110 189 HB THR 558 HB THR 558 9.394 13.084 -8.394 190 HG1 THR 558 1HG THR 558 10.524 10.854 -8.469 191 HG21 THR 558 1HG2 THR 558 11.611 12.515 -7.586 192 HG22 THR 558 2HG2 THR 558 10.925 11.641 -6.190 193 HG23 THR 558 3HG2 THR 558 10.735 13.403 -6.344 194 H LYS 559 H LYS 559 6.519 10.562 -7.582 195 HA LYS 559 HA LYS 559 4.569 12.598 -8.550 196 HB2 LYS 559 2HB LYS 559 3.948 10.950 -10.358 197 HB3 LYS 559 3HB LYS 559 5.443 11.825 -10.523 198 HG2 LYS 559 2HG LYS 559 5.790 9.589 -11.278 199 HG3 LYS 559 3HG LYS 559 6.783 9.901 -9.870 200 HD2 LYS 559 2HD LYS 559 5.834 7.663 -9.774 201 HD3 LYS 559 3HD LYS 559 5.232 8.634 -8.439 202 HE2 LYS 559 2HE LYS 559 3.483 7.277 -9.400 203 HE3 LYS 559 3HE LYS 559 3.089 8.978 -9.611 204 HZ1 LYS 559 3HZ LYS 559 2.723 7.566 -11.615 205 HZ2 LYS 559 1HZ LYS 559 4.358 7.408 -11.782 206 HZ3 LYS 559 2HZ LYS 559 3.626 8.891 -11.896 207 H LEU 560 H LEU 560 4.818 11.099 -5.982 208 HA LEU 560 HA LEU 560 2.530 9.245 -5.916 209 HB2 LEU 560 2HB LEU 560 4.683 8.779 -4.875 210 HB3 LEU 560 3HB LEU 560 4.569 10.231 -3.893 211 HG LEU 560 HG LEU 560 4.251 7.926 -2.849 212 HD11 LEU 560 1HD1 LEU 560 2.295 10.155 -2.269 213 HD12 LEU 560 2HD1 LEU 560 3.946 10.002 -1.649 214 HD13 LEU 560 3HD1 LEU 560 2.714 8.822 -1.166 215 HD21 LEU 560 3HD2 LEU 560 1.342 8.281 -3.594 216 HD22 LEU 560 1HD2 LEU 560 2.144 6.938 -2.791 217 HD23 LEU 560 2HD2 LEU 560 2.449 7.245 -4.517 218 H LYS 561 H LYS 561 0.606 9.628 -4.719 219 HA LYS 561 HA LYS 561 0.159 12.324 -3.624 220 HB2 LYS 561 2HB LYS 561 -1.669 12.946 -4.855 221 HB3 LYS 561 3HB LYS 561 -0.489 12.432 -6.036 222 HG2 LYS 561 2HG LYS 561 -2.948 10.880 -5.087 223 HG3 LYS 561 3HG LYS 561 -2.786 11.731 -6.609 224 HD2 LYS 561 2HD LYS 561 -1.226 9.258 -5.751 225 HD3 LYS 561 3HD LYS 561 -2.557 9.294 -6.884 226 HE2 LYS 561 2HE LYS 561 0.059 10.820 -7.278 227 HE3 LYS 561 3HE LYS 561 -0.257 9.203 -7.932 228 HZ1 LYS 561 3HZ LYS 561 -1.652 11.711 -8.693 229 HZ2 LYS 561 1HZ LYS 561 -2.278 10.245 -9.016 230 HZ3 LYS 561 2HZ LYS 561 -0.840 10.665 -9.672 231 H PHE 562 H PHE 562 -1.546 12.654 -2.267 232 HA PHE 562 HA PHE 562 -2.674 10.241 -1.005 233 HB2 PHE 562 2HB PHE 562 -2.752 11.294 0.928 234 HB3 PHE 562 3HB PHE 562 -1.544 12.316 0.211 235 HD1 PHE 562 2HD PHE 562 -5.098 12.031 1.177 236 HD2 PHE 562 1HD PHE 562 -1.997 14.673 -0.203 237 HE1 PHE 562 2HE PHE 562 -6.512 14.014 1.741 238 HE2 PHE 562 1HE PHE 562 -3.379 16.640 0.410 239 HZ PHE 562 HZ PHE 562 -5.631 16.311 1.398 240 H GLU 563 H GLU 563 -4.943 10.114 -0.402 241 HA GLU 563 HA GLU 563 -6.827 11.709 -2.016 242 HB2 GLU 563 2HB GLU 563 -6.166 9.703 -3.379 243 HB3 GLU 563 3HB GLU 563 -6.713 8.656 -2.069 244 HG2 GLU 563 2HG GLU 563 -8.347 8.809 -3.886 245 HG3 GLU 563 3HG GLU 563 -9.010 9.390 -2.382 246 H VAL 564 H VAL 564 -9.115 11.374 -1.298 247 HA VAL 564 HA VAL 564 -9.324 10.355 1.496 248 HB VAL 564 HB VAL 564 -10.796 12.692 0.261 249 HG11 VAL 564 1HG1 VAL 564 -10.885 11.772 3.141 250 HG12 VAL 564 2HG1 VAL 564 -11.650 13.177 2.355 251 HG13 VAL 564 3HG1 VAL 564 -12.208 11.585 1.952 252 HG21 VAL 564 3HG2 VAL 564 -9.487 13.960 2.038 253 HG22 VAL 564 1HG2 VAL 564 -8.518 12.466 2.247 254 HG23 VAL 564 2HG2 VAL 564 -8.528 13.312 0.686 255 H PHE 565 H PHE 565 -11.097 9.325 2.151 256 HA PHE 565 HA PHE 565 -13.257 8.708 0.175 257 HB2 PHE 565 2HB PHE 565 -11.953 6.755 2.099 258 HB3 PHE 565 3HB PHE 565 -13.479 6.466 1.285 259 HD1 PHE 565 1HD PHE 565 -9.851 7.225 0.546 260 HD2 PHE 565 2HD PHE 565 -13.519 5.404 -0.806 261 HE1 PHE 565 1HE PHE 565 -8.624 6.128 -1.314 262 HE2 PHE 565 2HE PHE 565 -12.267 4.244 -2.603 263 HZ PHE 565 HZ PHE 565 -9.812 4.561 -2.821 264 H GLN 566 H GLN 566 -15.332 8.580 1.016 265 HA GLN 566 HA GLN 566 -15.807 10.013 3.579 266 HB2 GLN 566 2HB GLN 566 -17.487 9.225 1.146 267 HB3 GLN 566 3HB GLN 566 -18.224 9.795 2.623 268 HG2 GLN 566 2HG GLN 566 -18.132 11.582 1.087 269 HG3 GLN 566 3HG GLN 566 -17.191 11.923 2.534 270 HE21 GLN 566 HE21 GLN 566 -14.968 12.349 2.310 271 HE22 GLN 566 HE22 GLN 566 -14.269 12.470 0.716 272 HA PRO 567 HA PRO 567 -17.001 6.593 6.017 273 HB2 PRO 567 2HB PRO 567 -19.694 7.701 6.678 274 HB3 PRO 567 3HB PRO 567 -18.349 7.286 7.765 275 HG2 PRO 567 2HG PRO 567 -18.995 9.881 7.160 276 HG3 PRO 567 3HG PRO 567 -17.306 9.378 7.401 277 HD2 PRO 567 2HD PRO 567 -18.790 9.790 4.817 278 HD3 PRO 567 3HD PRO 567 -17.129 10.282 5.251 279 H GLY 568 H GLY 568 -17.604 4.585 5.436 280 HA2 GLY 568 2HA GLY 568 -19.210 2.887 5.098 281 HA3 GLY 568 3HA GLY 568 -20.287 4.034 4.300 282 H ASP 569 H ASP 569 -17.330 4.786 2.957 283 HA ASP 569 HA ASP 569 -18.082 3.308 0.616 284 HB2 ASP 569 2HB ASP 569 -17.508 5.727 0.577 285 HB3 ASP 569 3HB ASP 569 -15.820 5.290 0.879 286 H TYR 570 H TYR 570 -17.171 1.653 -0.302 287 HA TYR 570 HA TYR 570 -15.181 0.079 1.166 288 HB2 TYR 570 2HB TYR 570 -16.917 -0.464 -1.243 289 HB3 TYR 570 3HB TYR 570 -15.620 -1.550 -0.763 290 HD1 TYR 570 HD1 TYR 570 -18.603 0.221 0.778 291 HD2 TYR 570 HD2 TYR 570 -16.140 -3.330 0.687 292 HE1 TYR 570 HE1 TYR 570 -19.993 -0.779 2.549 293 HE2 TYR 570 HE2 TYR 570 -17.591 -4.354 2.436 294 HH TYR 570 HH TYR 570 -20.233 -2.516 4.006 295 H ILE 571 H ILE 571 -13.132 0.549 1.021 296 HA ILE 571 HA ILE 571 -12.061 2.224 -1.077 297 HB ILE 571 HB ILE 571 -9.916 1.887 0.200 298 HG12 ILE 571 2HG1 ILE 571 -11.624 0.704 2.417 299 HG13 ILE 571 3HG1 ILE 571 -10.659 -0.257 1.285 300 HG21 ILE 571 1HG2 ILE 571 -12.464 3.067 1.425 301 HG22 ILE 571 2HG2 ILE 571 -10.911 3.255 2.238 302 HG23 ILE 571 3HG2 ILE 571 -11.113 3.886 0.610 303 HD11 ILE 571 3HD1 ILE 571 -9.257 0.051 3.136 304 HD12 ILE 571 1HD1 ILE 571 -8.672 1.108 1.838 305 HD13 ILE 571 2HD1 ILE 571 -9.587 1.802 3.194 306 H ILE 572 H ILE 572 -11.733 -1.191 -0.341 307 HA ILE 572 HA ILE 572 -9.749 -1.621 -2.487 308 HB ILE 572 HB ILE 572 -10.486 -2.908 0.092 309 HG12 ILE 572 2HG1 ILE 572 -8.161 -3.096 0.415 310 HG13 ILE 572 3HG1 ILE 572 -7.784 -2.828 -1.301 311 HG21 ILE 572 1HG2 ILE 572 -9.272 -4.596 -2.127 312 HG22 ILE 572 2HG2 ILE 572 -9.421 -5.032 -0.413 313 HG23 ILE 572 3HG2 ILE 572 -10.874 -4.833 -1.391 314 HD11 ILE 572 3HD1 ILE 572 -7.077 -0.951 -0.070 315 HD12 ILE 572 1HD1 ILE 572 -8.577 -0.401 -0.820 316 HD13 ILE 572 2HD1 ILE 572 -8.557 -0.924 0.887 317 H ARG 573 H ARG 573 -10.002 -3.196 -4.107 318 HA ARG 573 HA ARG 573 -12.544 -4.658 -4.377 319 HB2 ARG 573 2HB ARG 573 -13.081 -2.474 -5.384 320 HB3 ARG 573 3HB ARG 573 -11.609 -2.511 -6.341 321 HG2 ARG 573 2HG ARG 573 -13.479 -2.924 -7.751 322 HG3 ARG 573 3HG ARG 573 -12.508 -4.390 -7.690 323 HD2 ARG 573 2HD ARG 573 -14.106 -5.435 -6.154 324 HD3 ARG 573 3HD ARG 573 -15.027 -3.931 -6.030 325 HE ARG 573 HE ARG 573 -15.086 -5.879 -8.225 326 HH11 ARG 573 1HH1 ARG 573 -15.834 -2.518 -7.467 327 HH12 ARG 573 2HH1 ARG 573 -16.974 -2.412 -8.787 328 HH21 ARG 573 1HH2 ARG 573 -16.524 -5.645 -9.833 329 HH22 ARG 573 2HH2 ARG 573 -17.426 -4.157 -10.044 330 H GLU 574 H GLU 574 -11.629 -6.647 -4.471 331 HA GLU 574 HA GLU 574 -9.556 -7.172 -6.531 332 HB2 GLU 574 2HB GLU 574 -8.977 -8.101 -4.471 333 HB3 GLU 574 3HB GLU 574 -10.562 -8.821 -4.242 334 HG2 GLU 574 2HG GLU 574 -8.860 -10.472 -4.700 335 HG3 GLU 574 3HG GLU 574 -10.148 -10.516 -5.890 336 H GLY 575 H GLY 575 -9.714 -8.886 -7.998 337 HA2 GLY 575 2HA GLY 575 -11.741 -10.310 -9.041 338 HA3 GLY 575 3HA GLY 575 -12.177 -8.680 -9.583 339 H THR 576 H THR 576 -8.740 -8.777 -9.477 340 HA THR 576 HA THR 576 -8.139 -10.308 -11.746 341 HB THR 576 HB THR 576 -9.417 -8.727 -13.072 342 HG1 THR 576 1HG THR 576 -8.093 -8.842 -14.590 343 HG21 THR 576 1HG2 THR 576 -7.391 -6.627 -12.239 344 HG22 THR 576 2HG2 THR 576 -9.136 -6.628 -11.869 345 HG23 THR 576 3HG2 THR 576 -8.587 -6.469 -13.543 346 H ILE 577 H ILE 577 -5.940 -9.963 -12.511 347 HA ILE 577 HA ILE 577 -4.282 -9.385 -10.134 348 HB ILE 577 HB ILE 577 -3.579 -10.603 -12.816 349 HG12 ILE 577 2HG1 ILE 577 -2.985 -12.569 -11.421 350 HG13 ILE 577 3HG1 ILE 577 -3.497 -11.727 -9.966 351 HG21 ILE 577 1HG2 ILE 577 -1.644 -9.243 -12.062 352 HG22 ILE 577 2HG2 ILE 577 -1.705 -10.029 -10.469 353 HG23 ILE 577 3HG2 ILE 577 -1.304 -10.967 -11.921 354 HD11 ILE 577 3HD1 ILE 577 -5.106 -13.456 -10.935 355 HD12 ILE 577 1HD1 ILE 577 -5.803 -11.876 -10.585 356 HD13 ILE 577 2HD1 ILE 577 -5.404 -12.325 -12.265 357 H GLY 578 H GLY 578 -3.073 -7.682 -9.777 358 HA2 GLY 578 2HA GLY 578 -1.402 -6.145 -10.593 359 HA3 GLY 578 3HA GLY 578 -2.392 -5.806 -11.995 360 H LYS 579 H LYS 579 -4.235 -5.876 -9.047 361 HA LYS 579 HA LYS 579 -4.705 -3.057 -8.876 362 HB2 LYS 579 2HB LYS 579 -5.188 -5.362 -6.975 363 HB3 LYS 579 3HB LYS 579 -5.410 -3.700 -6.444 364 HG2 LYS 579 2HG LYS 579 -7.523 -4.403 -7.015 365 HG3 LYS 579 3HG LYS 579 -7.034 -3.386 -8.378 366 HD2 LYS 579 2HD LYS 579 -6.608 -5.347 -9.755 367 HD3 LYS 579 3HD LYS 579 -6.718 -6.407 -8.336 368 HE2 LYS 579 2HE LYS 579 -8.680 -6.622 -9.736 369 HE3 LYS 579 3HE LYS 579 -9.078 -6.041 -8.118 370 HZ1 LYS 579 3HZ LYS 579 -10.250 -4.825 -9.930 371 HZ2 LYS 579 1HZ LYS 579 -8.799 -4.220 -10.446 372 HZ3 LYS 579 2HZ LYS 579 -9.384 -3.837 -8.977 373 H LYS 580 H LYS 580 -4.143 -1.583 -7.233 374 HA LYS 580 HA LYS 580 -1.221 -1.562 -6.956 375 HB2 LYS 580 2HB LYS 580 -3.136 0.746 -6.527 376 HB3 LYS 580 3HB LYS 580 -1.431 0.818 -6.864 377 HG2 LYS 580 2HG LYS 580 -3.689 0.176 -8.750 378 HG3 LYS 580 3HG LYS 580 -2.488 1.452 -8.862 379 HD2 LYS 580 2HD LYS 580 -0.739 -0.261 -9.349 380 HD3 LYS 580 3HD LYS 580 -1.969 -1.520 -9.280 381 HE2 LYS 580 2HE LYS 580 -3.279 -0.131 -11.007 382 HE3 LYS 580 3HE LYS 580 -1.767 0.735 -11.299 383 HZ1 LYS 580 3HZ LYS 580 -2.088 -2.220 -11.506 384 HZ2 LYS 580 1HZ LYS 580 -0.760 -1.364 -11.969 385 HZ3 LYS 580 2HZ LYS 580 -2.184 -1.198 -12.782 386 H MET 581 H MET 581 -0.499 0.187 -5.152 387 HA MET 581 HA MET 581 -1.030 -1.154 -2.541 388 HB2 MET 581 2HB MET 581 1.287 -1.079 -3.191 389 HB3 MET 581 3HB MET 581 1.197 0.646 -3.547 390 HG2 MET 581 2HG MET 581 2.349 0.256 -1.453 391 HG3 MET 581 3HG MET 581 0.873 1.175 -1.187 392 HE1 MET 581 3HE MET 581 2.541 0.074 1.009 393 HE2 MET 581 1HE MET 581 0.947 0.594 1.608 394 HE3 MET 581 2HE MET 581 1.604 -1.008 2.052 395 H TYR 582 H TYR 582 -1.951 -0.129 -0.823 396 HA TYR 582 HA TYR 582 -2.528 2.774 -0.972 397 HB2 TYR 582 2HB TYR 582 -4.677 0.686 -0.476 398 HB3 TYR 582 3HB TYR 582 -4.874 2.431 -0.427 399 HD1 TYR 582 HD1 TYR 582 -4.955 3.770 -2.490 400 HD2 TYR 582 HD2 TYR 582 -4.556 -0.525 -2.603 401 HE1 TYR 582 HE1 TYR 582 -5.539 3.768 -4.916 402 HE2 TYR 582 HE2 TYR 582 -5.150 -0.517 -5.018 403 HH TYR 582 HH TYR 582 -5.746 0.747 -6.821 404 H PHE 583 H PHE 583 -2.558 3.795 0.983 405 HA PHE 583 HA PHE 583 -2.543 2.221 3.481 406 HB2 PHE 583 2HB PHE 583 -0.303 2.970 4.138 407 HB3 PHE 583 3HB PHE 583 -0.311 1.981 2.735 408 HD1 PHE 583 2HD PHE 583 0.392 2.767 0.552 409 HD2 PHE 583 1HD PHE 583 0.352 5.401 3.958 410 HE1 PHE 583 2HE PHE 583 2.049 4.232 -0.572 411 HE2 PHE 583 1HE PHE 583 2.009 6.874 2.824 412 HZ PHE 583 HZ PHE 583 2.910 6.260 0.594 413 H ILE 584 H ILE 584 -2.401 3.539 5.471 414 HA ILE 584 HA ILE 584 -4.443 5.635 5.096 415 HB ILE 584 HB ILE 584 -3.693 4.189 7.674 416 HG12 ILE 584 2HG1 ILE 584 -5.739 3.336 5.571 417 HG13 ILE 584 3HG1 ILE 584 -4.259 2.485 5.985 418 HG21 ILE 584 1HG2 ILE 584 -6.305 5.547 6.754 419 HG22 ILE 584 2HG2 ILE 584 -5.969 4.884 8.359 420 HG23 ILE 584 3HG2 ILE 584 -5.104 6.314 7.809 421 HD11 ILE 584 3HD1 ILE 584 -5.262 2.436 8.408 422 HD12 ILE 584 1HD1 ILE 584 -6.794 2.666 7.544 423 HD13 ILE 584 2HD1 ILE 584 -5.742 1.268 7.170 424 H GLN 585 H GLN 585 -3.894 7.747 5.204 425 HA GLN 585 HA GLN 585 -1.417 8.567 6.593 426 HB2 GLN 585 2HB GLN 585 -2.306 9.519 4.377 427 HB3 GLN 585 3HB GLN 585 -3.465 10.423 5.324 428 HG2 GLN 585 2HG GLN 585 -0.437 10.558 5.739 429 HG3 GLN 585 3HG GLN 585 -1.322 11.610 4.644 430 HE21 GLN 585 HE21 GLN 585 -3.025 13.077 5.611 431 HE22 GLN 585 HE22 GLN 585 -2.751 13.626 7.267 432 H HIS 586 H HIS 586 -4.937 9.245 6.903 433 HA HIS 586 HA HIS 586 -4.748 9.287 9.831 434 HB2 HIS 586 2HB HIS 586 -4.051 11.579 9.208 435 HB3 HIS 586 3HB HIS 586 -5.535 11.788 8.279 436 HD1 HIS 586 1HD HIS 586 -4.353 11.392 11.914 437 HD2 HIS 586 2HD HIS 586 -7.761 12.382 9.655 438 HE1 HIS 586 1HE HIS 586 -6.166 12.049 13.595 439 H GLY 587 H GLY 587 -6.576 8.220 10.570 440 HA2 GLY 587 2HA GLY 587 -9.072 8.851 10.694 441 HA3 GLY 587 3HA GLY 587 -9.103 8.346 9.015 442 H VAL 588 H VAL 588 -10.553 6.602 9.535 443 HA VAL 588 HA VAL 588 -9.257 4.282 10.756 444 HB VAL 588 HB VAL 588 -12.017 5.213 11.663 445 HG11 VAL 588 1HG1 VAL 588 -11.870 3.351 13.284 446 HG12 VAL 588 2HG1 VAL 588 -11.894 2.772 11.625 447 HG13 VAL 588 3HG1 VAL 588 -10.359 2.810 12.529 448 HG21 VAL 588 3HG2 VAL 588 -10.318 6.570 12.771 449 HG22 VAL 588 1HG2 VAL 588 -11.003 5.419 13.911 450 HG23 VAL 588 2HG2 VAL 588 -9.403 5.108 13.214 451 H VAL 589 H VAL 589 -9.876 2.387 9.876 452 HA VAL 589 HA VAL 589 -12.144 2.306 7.920 453 HB VAL 589 HB VAL 589 -10.987 0.558 6.672 454 HG11 VAL 589 1HG1 VAL 589 -10.845 2.843 5.816 455 HG12 VAL 589 2HG1 VAL 589 -9.400 3.151 6.807 456 HG13 VAL 589 3HG1 VAL 589 -9.350 1.964 5.490 457 HG21 VAL 589 3HG2 VAL 589 -9.460 -0.265 8.439 458 HG22 VAL 589 1HG2 VAL 589 -8.604 0.109 6.959 459 HG23 VAL 589 2HG2 VAL 589 -8.539 1.252 8.325 460 H SER 590 H SER 590 -13.244 0.369 7.803 461 HA SER 590 HA SER 590 -13.069 -1.483 10.164 462 HB2 SER 590 2HB SER 590 -15.590 -0.605 8.670 463 HB3 SER 590 3HB SER 590 -15.492 -1.781 10.003 464 HG SER 590 HG SER 590 -16.030 0.226 10.862 465 H VAL 591 H VAL 591 -12.864 -3.517 9.604 466 HA VAL 591 HA VAL 591 -12.071 -3.957 6.769 467 HB VAL 591 HB VAL 591 -10.370 -2.725 7.971 468 HG11 VAL 591 1HG1 VAL 591 -9.482 -3.685 10.212 469 HG12 VAL 591 2HG1 VAL 591 -11.047 -2.914 10.191 470 HG13 VAL 591 3HG1 VAL 591 -10.921 -4.736 10.143 471 HG21 VAL 591 3HG2 VAL 591 -8.600 -4.116 8.316 472 HG22 VAL 591 1HG2 VAL 591 -9.628 -5.546 8.633 473 HG23 VAL 591 2HG2 VAL 591 -9.498 -4.858 6.944 474 H LEU 592 H LEU 592 -11.594 -6.132 6.236 475 HA LEU 592 HA LEU 592 -12.128 -8.111 8.397 476 HB2 LEU 592 2HB LEU 592 -12.870 -8.201 5.428 477 HB3 LEU 592 3HB LEU 592 -12.660 -9.672 6.323 478 HG LEU 592 HG LEU 592 -14.993 -8.997 5.891 479 HD11 LEU 592 1HD1 LEU 592 -14.172 -9.380 8.778 480 HD12 LEU 592 2HD1 LEU 592 -14.477 -10.641 7.575 481 HD13 LEU 592 3HD1 LEU 592 -15.816 -9.634 8.134 482 HD21 LEU 592 3HD2 LEU 592 -14.765 -6.994 8.142 483 HD22 LEU 592 1HD2 LEU 592 -16.162 -7.372 7.126 484 HD23 LEU 592 2HD2 LEU 592 -14.763 -6.544 6.418 485 H THR 593 H THR 593 -10.295 -9.310 8.866 486 HA THR 593 HA THR 593 -8.237 -9.463 6.695 487 HB THR 593 HB THR 593 -6.957 -10.921 8.379 488 HG1 THR 593 1HG THR 593 -7.335 -10.274 10.483 489 HG21 THR 593 1HG2 THR 593 -6.051 -8.808 9.371 490 HG22 THR 593 2HG2 THR 593 -7.414 -7.925 8.592 491 HG23 THR 593 3HG2 THR 593 -6.200 -8.788 7.616 492 H LYS 594 H LYS 594 -7.656 -11.141 5.486 493 HA LYS 594 HA LYS 594 -9.587 -13.188 5.034 494 HB2 LYS 594 2HB LYS 594 -8.275 -14.070 3.364 495 HB3 LYS 594 3HB LYS 594 -8.008 -12.340 3.290 496 HG2 LYS 594 2HG LYS 594 -6.094 -14.367 4.543 497 HG3 LYS 594 3HG LYS 594 -5.989 -13.767 2.890 498 HD2 LYS 594 2HD LYS 594 -5.615 -11.480 3.678 499 HD3 LYS 594 3HD LYS 594 -5.802 -12.004 5.360 500 HE2 LYS 594 2HE LYS 594 -3.516 -11.727 4.988 501 HE3 LYS 594 3HE LYS 594 -3.819 -13.456 5.142 502 HZ1 LYS 594 3HZ LYS 594 -2.294 -12.787 3.318 503 HZ2 LYS 594 1HZ LYS 594 -3.547 -12.078 2.517 504 HZ3 LYS 594 2HZ LYS 594 -3.553 -13.702 2.775 505 H GLY 595 H GLY 595 -9.794 -15.248 5.568 506 HA2 GLY 595 2HA GLY 595 -9.387 -17.264 6.829 507 HA3 GLY 595 3HA GLY 595 -8.031 -16.445 7.644 508 H ASN 596 H ASN 596 -9.860 -14.024 8.035 509 HA ASN 596 HA ASN 596 -10.404 -14.993 10.801 510 HB2 ASN 596 2HB ASN 596 -8.893 -12.543 9.961 511 HB3 ASN 596 3HB ASN 596 -8.874 -13.220 11.499 512 HD21 ASN 596 HD21 ASN 596 -6.603 -12.410 10.491 513 HD22 ASN 596 HD22 ASN 596 -5.594 -13.787 10.159 514 H LYS 597 H LYS 597 -10.268 -11.944 11.347 515 HA LYS 597 HA LYS 597 -13.178 -11.986 11.660 516 HB2 LYS 597 2HB LYS 597 -11.487 -10.217 13.374 517 HB3 LYS 597 3HB LYS 597 -12.888 -11.178 13.820 518 HG2 LYS 597 2HG LYS 597 -10.022 -12.015 13.458 519 HG3 LYS 597 3HG LYS 597 -10.911 -11.867 14.966 520 HD2 LYS 597 2HD LYS 597 -11.992 -13.895 14.749 521 HD3 LYS 597 3HD LYS 597 -11.973 -13.861 12.966 522 HE2 LYS 597 2HE LYS 597 -9.649 -14.219 12.847 523 HE3 LYS 597 3HE LYS 597 -9.439 -14.018 14.596 524 HZ1 LYS 597 3HZ LYS 597 -9.430 -16.399 13.977 525 HZ2 LYS 597 1HZ LYS 597 -10.953 -16.249 13.343 526 HZ3 LYS 597 2HZ LYS 597 -10.714 -16.064 14.944 527 H GLU 598 H GLU 598 -14.110 -10.015 12.394 528 HA GLU 598 HA GLU 598 -13.525 -7.819 10.472 529 HB2 GLU 598 2HB GLU 598 -15.644 -6.844 10.792 530 HB3 GLU 598 3HB GLU 598 -15.764 -8.510 10.253 531 HG2 GLU 598 2HG GLU 598 -16.224 -9.139 12.699 532 HG3 GLU 598 3HG GLU 598 -16.399 -7.398 12.986 533 H MET 599 H MET 599 -12.538 -6.165 11.006 534 HA MET 599 HA MET 599 -11.969 -5.398 13.814 535 HB2 MET 599 2HB MET 599 -10.034 -5.909 11.605 536 HB3 MET 599 3HB MET 599 -9.619 -5.056 13.093 537 HG2 MET 599 2HG MET 599 -10.376 -7.038 14.404 538 HG3 MET 599 3HG MET 599 -10.691 -7.890 12.888 539 HE1 MET 599 3HE MET 599 -8.870 -7.948 10.991 540 HE2 MET 599 1HE MET 599 -7.872 -6.514 11.307 541 HE3 MET 599 2HE MET 599 -7.113 -8.117 11.313 542 H LYS 600 H LYS 600 -10.838 -3.292 13.987 543 HA LYS 600 HA LYS 600 -11.222 -1.577 11.659 544 HB2 LYS 600 2HB LYS 600 -11.120 -1.012 14.672 545 HB3 LYS 600 3HB LYS 600 -10.376 0.177 13.633 546 HG2 LYS 600 2HG LYS 600 -12.621 0.780 14.310 547 HG3 LYS 600 3HG LYS 600 -12.375 0.731 12.562 548 HD2 LYS 600 2HD LYS 600 -14.576 -0.044 13.133 549 HD3 LYS 600 3HD LYS 600 -13.596 -1.304 12.366 550 HE2 LYS 600 2HE LYS 600 -13.245 -2.399 14.530 551 HE3 LYS 600 3HE LYS 600 -13.972 -1.037 15.393 552 HZ1 LYS 600 3HZ LYS 600 -15.488 -2.716 13.465 553 HZ2 LYS 600 1HZ LYS 600 -16.099 -1.596 14.491 554 HZ3 LYS 600 2HZ LYS 600 -15.450 -2.988 15.079 555 H LEU 601 H LEU 601 -9.655 -0.232 11.101 556 HA LEU 601 HA LEU 601 -6.851 -0.638 12.035 557 HB2 LEU 601 2HB LEU 601 -7.813 -1.353 9.361 558 HB3 LEU 601 3HB LEU 601 -6.704 0.004 9.259 559 HG LEU 601 HG LEU 601 -5.010 -1.371 10.545 560 HD11 LEU 601 1HD1 LEU 601 -6.500 -3.007 11.580 561 HD12 LEU 601 2HD1 LEU 601 -5.434 -3.861 10.460 562 HD13 LEU 601 3HD1 LEU 601 -7.124 -3.496 9.993 563 HD21 LEU 601 3HD2 LEU 601 -4.420 -2.720 8.572 564 HD22 LEU 601 1HD2 LEU 601 -5.000 -1.130 8.056 565 HD23 LEU 601 2HD2 LEU 601 -6.066 -2.542 7.922 566 H SER 602 H SER 602 -5.541 1.285 11.801 567 HA SER 602 HA SER 602 -6.890 3.783 10.926 568 HB2 SER 602 2HB SER 602 -7.549 3.371 13.260 569 HB3 SER 602 3HB SER 602 -5.856 3.356 13.735 570 HG SER 602 HG SER 602 -7.207 5.545 12.469 571 H ASP 603 H ASP 603 -5.187 5.584 11.915 572 HA ASP 603 HA ASP 603 -3.593 6.008 9.732 573 HB2 ASP 603 2HB ASP 603 -2.544 7.807 10.955 574 HB3 ASP 603 3HB ASP 603 -4.264 7.718 11.297 575 H GLY 604 H GLY 604 -1.603 5.771 8.976 576 HA2 GLY 604 2HA GLY 604 0.562 5.083 8.735 577 HA3 GLY 604 3HA GLY 604 0.628 4.641 10.435 578 H SER 605 H SER 605 -2.043 3.103 9.167 579 HA SER 605 HA SER 605 -0.648 0.522 8.794 580 HB2 SER 605 2HB SER 605 -3.595 1.203 8.825 581 HB3 SER 605 3HB SER 605 -2.896 -0.432 8.857 582 HG SER 605 HG SER 605 -3.058 1.514 10.829 583 H TYR 606 H TYR 606 -1.436 -0.962 7.032 584 HA TYR 606 HA TYR 606 -2.078 0.417 4.495 585 HB2 TYR 606 2HB TYR 606 -0.098 -0.358 3.408 586 HB3 TYR 606 3HB TYR 606 0.369 0.637 4.778 587 HD1 TYR 606 HD1 TYR 606 1.205 -0.483 6.912 588 HD2 TYR 606 HD2 TYR 606 0.612 -2.644 3.220 589 HE1 TYR 606 HE1 TYR 606 2.557 -2.367 7.795 590 HE2 TYR 606 HE2 TYR 606 2.053 -4.465 4.056 591 HH TYR 606 HH TYR 606 3.325 -4.460 7.428 592 H PHE 607 H PHE 607 -2.691 -0.862 2.797 593 HA PHE 607 HA PHE 607 -3.073 -3.783 3.136 594 HB2 PHE 607 2HB PHE 607 -5.589 -3.381 2.657 595 HB3 PHE 607 3HB PHE 607 -4.959 -3.173 4.270 596 HD1 PHE 607 1HD PHE 607 -5.006 -0.814 1.300 597 HD2 PHE 607 2HD PHE 607 -6.212 -1.566 5.371 598 HE1 PHE 607 1HE PHE 607 -5.889 1.483 1.464 599 HE2 PHE 607 2HE PHE 607 -7.115 0.745 5.505 600 HZ PHE 607 HZ PHE 607 -6.916 2.281 3.585 601 H GLY 608 H GLY 608 -4.574 -4.502 1.163 602 HA2 GLY 608 2HA GLY 608 -5.249 -3.597 -1.096 603 HA3 GLY 608 3HA GLY 608 -3.557 -3.189 -1.349 604 H GLU 609 H GLU 609 -3.299 -5.976 0.211 605 HA GLU 609 HA GLU 609 -2.834 -8.102 -0.149 606 HB2 GLU 609 2HB GLU 609 -5.394 -7.746 -0.260 607 HB3 GLU 609 3HB GLU 609 -5.240 -8.131 -1.964 608 HG2 GLU 609 2HG GLU 609 -5.854 -10.112 -0.830 609 HG3 GLU 609 3HG GLU 609 -4.180 -10.321 -1.327 610 H ILE 610 H ILE 610 -3.185 -6.635 -3.369 611 HA ILE 610 HA ILE 610 -1.728 -8.817 -4.697 612 HB ILE 610 HB ILE 610 -2.700 -6.093 -5.648 613 HG12 ILE 610 2HG1 ILE 610 -4.075 -7.513 -7.229 614 HG13 ILE 610 3HG1 ILE 610 -3.579 -8.941 -6.336 615 HG21 ILE 610 1HG2 ILE 610 -2.013 -6.830 -7.934 616 HG22 ILE 610 2HG2 ILE 610 -0.644 -6.570 -6.881 617 HG23 ILE 610 3HG2 ILE 610 -1.181 -8.228 -7.218 618 HD11 ILE 610 3HD1 ILE 610 -5.117 -6.605 -5.100 619 HD12 ILE 610 1HD1 ILE 610 -5.879 -8.040 -5.810 620 HD13 ILE 610 2HD1 ILE 610 -4.858 -8.203 -4.383 621 H CYS 611 H CYS 611 0.435 -8.892 -5.109 622 HA CYS 611 HA CYS 611 2.084 -6.541 -4.362 623 HB2 CYS 611 2HB CYS 611 2.045 -8.598 -2.788 624 HB3 CYS 611 3HB CYS 611 3.134 -9.325 -3.985 625 HG CYS 611 HG CYS 611 4.288 -8.092 -1.766 626 H LEU 612 H LEU 612 4.299 -6.633 -5.091 627 HA LEU 612 HA LEU 612 4.138 -5.572 -7.681 628 HB2 LEU 612 2HB LEU 612 6.439 -6.417 -5.856 629 HB3 LEU 612 3HB LEU 612 6.722 -5.507 -7.330 630 HG LEU 612 HG LEU 612 4.672 -4.433 -5.398 631 HD11 LEU 612 1HD1 LEU 612 6.354 -3.244 -4.128 632 HD12 LEU 612 2HD1 LEU 612 7.643 -4.153 -4.961 633 HD13 LEU 612 3HD1 LEU 612 6.482 -5.005 -3.906 634 HD21 LEU 612 3HD2 LEU 612 5.190 -2.378 -6.275 635 HD22 LEU 612 1HD2 LEU 612 5.463 -3.370 -7.705 636 HD23 LEU 612 2HD2 LEU 612 6.853 -2.847 -6.750 637 H LEU 613 H LEU 613 5.274 -8.823 -6.765 638 HA LEU 613 HA LEU 613 5.513 -9.485 -9.676 639 HB2 LEU 613 2HB LEU 613 7.088 -10.707 -7.368 640 HB3 LEU 613 3HB LEU 613 7.195 -11.129 -9.073 641 HG LEU 613 HG LEU 613 7.672 -8.487 -9.296 642 HD11 LEU 613 1HD1 LEU 613 7.589 -8.220 -6.755 643 HD12 LEU 613 2HD1 LEU 613 9.074 -7.642 -7.536 644 HD13 LEU 613 3HD1 LEU 613 9.053 -9.199 -6.681 645 HD21 LEU 613 3HD2 LEU 613 9.742 -10.603 -8.540 646 HD22 LEU 613 1HD2 LEU 613 10.107 -9.049 -9.327 647 HD23 LEU 613 2HD2 LEU 613 9.128 -10.263 -10.168 648 H THR 614 H THR 614 3.371 -9.756 -7.333 649 HA THR 614 HA THR 614 3.018 -12.509 -6.867 650 HB THR 614 HB THR 614 1.814 -10.403 -5.852 651 HG1 THR 614 1HG THR 614 0.563 -11.773 -4.785 652 HG21 THR 614 1HG2 THR 614 -0.537 -10.262 -6.293 653 HG22 THR 614 2HG2 THR 614 -0.455 -11.505 -7.543 654 HG23 THR 614 3HG2 THR 614 0.341 -9.936 -7.810 655 H ARG 615 H ARG 615 1.317 -13.964 -7.408 656 HA ARG 615 HA ARG 615 0.461 -13.940 -10.286 657 HB2 ARG 615 2HB ARG 615 2.491 -15.276 -10.069 658 HB3 ARG 615 3HB ARG 615 1.777 -16.210 -8.752 659 HG2 ARG 615 2HG ARG 615 0.121 -17.176 -10.276 660 HG3 ARG 615 3HG ARG 615 0.736 -16.199 -11.622 661 HD2 ARG 615 2HD ARG 615 2.808 -17.397 -11.682 662 HD3 ARG 615 3HD ARG 615 2.555 -18.073 -10.072 663 HE ARG 615 HE ARG 615 0.936 -19.605 -10.888 664 HH11 ARG 615 1HH1 ARG 615 2.553 -18.050 -13.651 665 HH12 ARG 615 2HH1 ARG 615 2.000 -19.330 -14.707 666 HH21 ARG 615 1HH2 ARG 615 0.290 -21.001 -12.251 667 HH22 ARG 615 2HH2 ARG 615 0.603 -20.862 -13.985 668 H GLY 616 H GLY 616 -1.585 -14.454 -10.662 669 HA2 GLY 616 2HA GLY 616 -3.709 -15.281 -10.436 670 HA3 GLY 616 3HA GLY 616 -3.136 -16.341 -9.164 671 H ARG 617 H ARG 617 -5.617 -15.464 -9.108 672 HA ARG 617 HA ARG 617 -6.416 -13.003 -7.945 673 HB2 ARG 617 2HB ARG 617 -7.637 -15.790 -7.725 674 HB3 ARG 617 3HB ARG 617 -8.459 -14.299 -7.282 675 HG2 ARG 617 2HG ARG 617 -7.440 -14.891 -10.096 676 HG3 ARG 617 3HG ARG 617 -9.077 -15.205 -9.527 677 HD2 ARG 617 2HD ARG 617 -9.365 -12.787 -9.001 678 HD3 ARG 617 3HD ARG 617 -7.751 -12.465 -9.612 679 HE ARG 617 HE ARG 617 -8.470 -12.883 -11.848 680 HH11 ARG 617 1HH1 ARG 617 -11.209 -13.580 -9.706 681 HH12 ARG 617 2HH1 ARG 617 -12.337 -13.278 -11.013 682 HH21 ARG 617 1HH2 ARG 617 -9.901 -12.707 -13.365 683 HH22 ARG 617 2HH2 ARG 617 -11.630 -12.786 -13.042 684 H ARG 618 H ARG 618 -7.111 -12.395 -6.063 685 HA ARG 618 HA ARG 618 -5.966 -13.540 -3.535 686 HB2 ARG 618 2HB ARG 618 -6.465 -10.638 -4.370 687 HB3 ARG 618 3HB ARG 618 -5.817 -11.162 -2.828 688 HG2 ARG 618 2HG ARG 618 -4.435 -11.455 -5.532 689 HG3 ARG 618 3HG ARG 618 -4.071 -10.285 -4.272 690 HD2 ARG 618 2HD ARG 618 -2.567 -11.672 -3.447 691 HD3 ARG 618 3HD ARG 618 -3.905 -12.668 -2.883 692 HE ARG 618 HE ARG 618 -3.117 -13.226 -5.662 693 HH11 ARG 618 1HH1 ARG 618 -2.582 -14.139 -2.282 694 HH12 ARG 618 2HH1 ARG 618 -2.141 -15.767 -2.791 695 HH21 ARG 618 1HH2 ARG 618 -1.991 -15.081 -6.128 696 HH22 ARG 618 2HH2 ARG 618 -1.447 -16.102 -4.837 697 H THR 619 H THR 619 -7.202 -12.515 -1.564 698 HA THR 619 HA THR 619 -9.935 -11.657 -2.251 699 HB THR 619 HB THR 619 -10.227 -14.024 -1.613 700 HG1 THR 619 1HG THR 619 -11.930 -13.505 -0.232 701 HG21 THR 619 1HG2 THR 619 -10.095 -14.708 0.716 702 HG22 THR 619 2HG2 THR 619 -9.477 -13.126 1.209 703 HG23 THR 619 3HG2 THR 619 -8.487 -14.204 0.192 704 H ALA 620 H ALA 620 -10.682 -9.936 -1.067 705 HA ALA 620 HA ALA 620 -9.515 -9.107 1.443 706 HB1 ALA 620 1HB ALA 620 -7.737 -8.359 -0.130 707 HB2 ALA 620 2HB ALA 620 -8.947 -7.435 -1.045 708 HB3 ALA 620 3HB ALA 620 -8.556 -6.994 0.639 709 H SER 621 H SER 621 -10.711 -7.487 2.488 710 HA SER 621 HA SER 621 -12.857 -6.064 1.100 711 HB2 SER 621 2HB SER 621 -13.886 -8.300 1.616 712 HB3 SER 621 3HB SER 621 -13.651 -7.963 3.339 713 HG SER 621 HG SER 621 -15.676 -7.205 2.860 714 H VAL 622 H VAL 622 -12.666 -4.087 1.856 715 HA VAL 622 HA VAL 622 -12.922 -3.531 4.690 716 HB VAL 622 HB VAL 622 -10.603 -3.877 4.803 717 HG11 VAL 622 1HG1 VAL 622 -9.870 -3.841 2.549 718 HG12 VAL 622 2HG1 VAL 622 -10.228 -2.107 2.396 719 HG13 VAL 622 3HG1 VAL 622 -8.922 -2.671 3.466 720 HG21 VAL 622 3HG2 VAL 622 -9.694 -1.806 5.547 721 HG22 VAL 622 1HG2 VAL 622 -10.908 -0.871 4.646 722 HG23 VAL 622 2HG2 VAL 622 -11.392 -1.908 6.011 723 H ARG 623 H ARG 623 -13.708 -1.527 5.176 724 HA ARG 623 HA ARG 623 -14.062 0.458 3.004 725 HB2 ARG 623 2HB ARG 623 -16.351 0.758 3.314 726 HB3 ARG 623 3HB ARG 623 -16.128 -0.963 3.102 727 HG2 ARG 623 2HG ARG 623 -16.461 0.304 5.852 728 HG3 ARG 623 3HG ARG 623 -17.821 -0.090 4.805 729 HD2 ARG 623 2HD ARG 623 -17.195 -2.452 4.762 730 HD3 ARG 623 3HD ARG 623 -15.789 -2.125 5.776 731 HE ARG 623 HE ARG 623 -18.151 -1.115 7.059 732 HH11 ARG 623 1HH1 ARG 623 -16.912 -4.314 6.191 733 HH12 ARG 623 2HH1 ARG 623 -17.786 -5.030 7.539 734 HH21 ARG 623 1HH2 ARG 623 -18.875 -2.126 8.917 735 HH22 ARG 623 2HH2 ARG 623 -18.580 -3.852 9.096 736 H ALA 624 H ALA 624 -14.702 2.593 3.736 737 HA ALA 624 HA ALA 624 -13.098 3.423 6.005 738 HB1 ALA 624 1HB ALA 624 -15.107 4.907 4.272 739 HB2 ALA 624 2HB ALA 624 -13.930 5.653 5.371 740 HB3 ALA 624 3HB ALA 624 -13.367 4.757 3.954 741 H ASP 625 H ASP 625 -13.678 3.724 8.132 742 HA ASP 625 HA ASP 625 -16.410 3.206 9.103 743 HB2 ASP 625 2HB ASP 625 -14.128 2.855 10.378 744 HB3 ASP 625 3HB ASP 625 -14.109 4.548 10.561 745 H THR 626 H THR 626 -14.485 5.810 8.069 746 HA THR 626 HA THR 626 -16.289 8.029 8.805 747 HB THR 626 HB THR 626 -15.153 7.490 10.897 748 HG1 THR 626 1HG THR 626 -14.230 9.499 11.266 749 HG21 THR 626 1HG2 THR 626 -12.722 7.695 11.154 750 HG22 THR 626 2HG2 THR 626 -12.547 7.911 9.394 751 HG23 THR 626 3HG2 THR 626 -13.151 6.368 10.067 752 H TYR 627 H TYR 627 -15.087 10.174 8.189 753 HA TYR 627 HA TYR 627 -14.250 9.939 5.427 754 HB2 TYR 627 2HB TYR 627 -15.718 11.691 6.446 755 HB3 TYR 627 3HB TYR 627 -14.341 12.310 7.297 756 HD1 TYR 627 HD2 TYR 627 -12.241 12.925 5.660 757 HD2 TYR 627 HD1 TYR 627 -16.418 12.898 4.626 758 HE1 TYR 627 HE2 TYR 627 -11.832 14.709 3.955 759 HE2 TYR 627 HE1 TYR 627 -16.008 14.696 2.936 760 HH TYR 627 HH TYR 627 -14.423 16.057 1.926 761 H CYS 628 H CYS 628 -12.266 9.237 4.927 762 HA CYS 628 HA CYS 628 -10.034 9.526 6.910 763 HB2 CYS 628 2HB CYS 628 -11.233 7.276 6.707 764 HB3 CYS 628 3HB CYS 628 -10.554 7.158 5.072 765 HG CYS 628 HG CYS 628 -8.023 7.478 5.803 766 H ARG 629 H ARG 629 -8.090 10.108 6.267 767 HA ARG 629 HA ARG 629 -7.465 10.787 3.442 768 HB2 ARG 629 2HB ARG 629 -5.647 10.908 5.877 769 HB3 ARG 629 3HB ARG 629 -5.439 11.741 4.351 770 HG2 ARG 629 2HG ARG 629 -7.509 12.369 6.514 771 HG3 ARG 629 3HG ARG 629 -5.976 13.181 6.242 772 HD2 ARG 629 2HD ARG 629 -7.088 13.457 3.773 773 HD3 ARG 629 3HD ARG 629 -8.551 13.470 4.768 774 HE ARG 629 HE ARG 629 -6.443 15.515 4.592 775 HH11 ARG 629 1HH1 ARG 629 -8.960 14.426 6.897 776 HH12 ARG 629 2HH1 ARG 629 -8.717 15.919 7.790 777 HH21 ARG 629 1HH2 ARG 629 -6.369 17.280 5.790 778 HH22 ARG 629 2HH2 ARG 629 -7.392 17.414 7.216 779 H LEU 630 H LEU 630 -6.784 9.231 2.178 780 HA LEU 630 HA LEU 630 -4.993 7.062 3.206 781 HB2 LEU 630 2HB LEU 630 -6.861 6.910 0.807 782 HB3 LEU 630 3HB LEU 630 -5.703 5.687 1.317 783 HG LEU 630 HG LEU 630 -8.272 6.463 2.733 784 HD11 LEU 630 1HD1 LEU 630 -8.790 4.043 2.405 785 HD12 LEU 630 2HD1 LEU 630 -7.247 3.818 1.567 786 HD13 LEU 630 3HD1 LEU 630 -8.503 4.851 0.871 787 HD21 LEU 630 3HD2 LEU 630 -7.684 4.686 4.388 788 HD22 LEU 630 1HD2 LEU 630 -6.630 6.093 4.484 789 HD23 LEU 630 2HD2 LEU 630 -6.049 4.617 3.676 790 H TYR 631 H TYR 631 -3.518 6.258 1.453 791 HA TYR 631 HA TYR 631 -2.506 8.404 -0.349 792 HB2 TYR 631 2HB TYR 631 -1.268 6.979 1.884 793 HB3 TYR 631 3HB TYR 631 -0.374 6.705 0.397 794 HD1 TYR 631 HD1 TYR 631 -0.066 8.921 -1.060 795 HD2 TYR 631 HD2 TYR 631 -0.478 8.721 3.208 796 HE1 TYR 631 HE1 TYR 631 1.016 11.193 -0.835 797 HE2 TYR 631 HE2 TYR 631 0.703 10.918 3.441 798 HH TYR 631 HH TYR 631 1.820 12.746 0.572 799 H SER 632 H SER 632 -1.919 7.708 -2.476 800 HA SER 632 HA SER 632 -2.261 4.784 -2.954 801 HB2 SER 632 2HB SER 632 -3.569 5.301 -4.978 802 HB3 SER 632 3HB SER 632 -4.356 5.809 -3.475 803 HG SER 632 HG SER 632 -4.561 7.424 -4.948 804 H LEU 633 H LEU 633 -0.893 3.758 -4.037 805 HA LEU 633 HA LEU 633 1.133 5.193 -5.705 806 HB2 LEU 633 2HB LEU 633 1.625 4.738 -3.188 807 HB3 LEU 633 3HB LEU 633 1.745 3.050 -3.627 808 HG LEU 633 HG LEU 633 3.448 5.310 -4.791 809 HD11 LEU 633 1HD1 LEU 633 5.211 4.409 -3.325 810 HD12 LEU 633 2HD1 LEU 633 4.092 3.192 -2.687 811 HD13 LEU 633 3HD1 LEU 633 3.823 4.923 -2.369 812 HD21 LEU 633 3HD2 LEU 633 4.964 3.426 -5.489 813 HD22 LEU 633 1HD2 LEU 633 3.447 3.504 -6.377 814 HD23 LEU 633 2HD2 LEU 633 3.653 2.288 -5.094 815 H SER 634 H SER 634 1.112 4.292 -7.706 816 HA SER 634 HA SER 634 -0.193 1.772 -8.214 817 HB2 SER 634 2HB SER 634 -0.088 3.427 -9.977 818 HB3 SER 634 3HB SER 634 1.684 3.256 -10.028 819 HG SER 634 HG SER 634 0.546 1.901 -11.582 820 H VAL 635 H VAL 635 0.527 -0.242 -8.013 821 HA VAL 635 HA VAL 635 3.024 -1.070 -7.020 822 HB VAL 635 HB VAL 635 0.842 -2.471 -7.349 823 HG11 VAL 635 1HG1 VAL 635 0.974 -2.519 -9.903 824 HG12 VAL 635 2HG1 VAL 635 2.575 -3.359 -9.688 825 HG13 VAL 635 3HG1 VAL 635 1.088 -4.130 -9.129 826 HG21 VAL 635 3HG2 VAL 635 3.564 -3.542 -8.003 827 HG22 VAL 635 1HG2 VAL 635 3.035 -3.133 -6.316 828 HG23 VAL 635 2HG2 VAL 635 2.255 -4.467 -7.194 829 H ASP 636 H ASP 636 2.057 -0.701 -10.427 830 HA ASP 636 HA ASP 636 4.478 -1.729 -11.251 831 HB2 ASP 636 2HB ASP 636 2.685 0.245 -12.802 832 HB3 ASP 636 3HB ASP 636 3.871 -0.824 -13.541 833 H ASN 637 H ASN 637 3.678 1.517 -10.231 834 HA ASN 637 HA ASN 637 5.966 2.881 -11.493 835 HB2 ASN 637 2HB ASN 637 3.970 3.794 -9.369 836 HB3 ASN 637 3HB ASN 637 5.248 4.795 -10.039 837 HD21 ASN 637 HD21 ASN 637 4.497 3.369 -12.875 838 HD22 ASN 637 HD22 ASN 637 3.216 4.459 -13.303 839 H PHE 638 H PHE 638 5.372 1.111 -8.572 840 HA PHE 638 HA PHE 638 7.787 1.868 -7.108 841 HB2 PHE 638 2HB PHE 638 5.629 1.099 -6.157 842 HB3 PHE 638 3HB PHE 638 5.897 -0.461 -6.864 843 HD1 PHE 638 1HD PHE 638 8.673 -1.224 -6.138 844 HD2 PHE 638 2HD PHE 638 5.637 0.872 -3.892 845 HE1 PHE 638 1HE PHE 638 9.685 -1.996 -4.049 846 HE2 PHE 638 2HE PHE 638 6.637 0.037 -1.792 847 HZ PHE 638 HZ PHE 638 8.699 -1.338 -1.850 848 H ASN 639 H ASN 639 6.694 -0.882 -9.204 849 HA ASN 639 HA ASN 639 9.251 -2.180 -9.399 850 HB2 ASN 639 2HB ASN 639 6.738 -2.153 -11.119 851 HB3 ASN 639 3HB ASN 639 8.160 -3.056 -11.601 852 HD21 ASN 639 HD21 ASN 639 5.387 -3.948 -10.651 853 HD22 ASN 639 HD22 ASN 639 5.845 -5.203 -9.511 854 H GLU 640 H GLU 640 8.141 0.736 -10.968 855 HA GLU 640 HA GLU 640 10.177 0.878 -13.027 856 HB2 GLU 640 2HB GLU 640 8.190 2.693 -11.691 857 HB3 GLU 640 3HB GLU 640 9.504 3.475 -12.516 858 HG2 GLU 640 2HG GLU 640 7.796 1.350 -13.874 859 HG3 GLU 640 3HG GLU 640 7.285 3.029 -13.759 860 H VAL 641 H VAL 641 9.923 2.284 -9.744 861 HA VAL 641 HA VAL 641 12.472 3.657 -9.915 862 HB VAL 641 HB VAL 641 10.785 4.647 -8.648 863 HG11 VAL 641 1HG1 VAL 641 10.611 2.208 -6.870 864 HG12 VAL 641 2HG1 VAL 641 9.813 3.769 -6.593 865 HG13 VAL 641 3HG1 VAL 641 9.392 2.820 -8.018 866 HG21 VAL 641 3HG2 VAL 641 12.700 3.564 -6.550 867 HG22 VAL 641 1HG2 VAL 641 13.076 4.908 -7.667 868 HG23 VAL 641 2HG2 VAL 641 11.775 5.049 -6.461 869 H LEU 642 H LEU 642 11.475 0.532 -8.642 870 HA LEU 642 HA LEU 642 13.803 -0.302 -7.304 871 HB2 LEU 642 2HB LEU 642 11.825 -1.701 -9.137 872 HB3 LEU 642 3HB LEU 642 13.275 -2.563 -8.685 873 HG LEU 642 HG LEU 642 11.139 -1.590 -6.765 874 HD11 LEU 642 1HD1 LEU 642 10.675 -3.656 -8.130 875 HD12 LEU 642 2HD1 LEU 642 10.855 -4.011 -6.404 876 HD13 LEU 642 3HD1 LEU 642 12.194 -4.363 -7.523 877 HD21 LEU 642 3HD2 LEU 642 13.740 -3.082 -6.213 878 HD22 LEU 642 1HD2 LEU 642 12.442 -2.802 -5.037 879 HD23 LEU 642 2HD2 LEU 642 13.378 -1.449 -5.659 880 H GLU 643 H GLU 643 13.387 -0.133 -10.838 881 HA GLU 643 HA GLU 643 15.731 -1.472 -11.613 882 HB2 GLU 643 2HB GLU 643 14.300 0.826 -12.991 883 HB3 GLU 643 3HB GLU 643 15.330 -0.352 -13.783 884 HG2 GLU 643 2HG GLU 643 12.849 -1.278 -12.272 885 HG3 GLU 643 3HG GLU 643 12.708 -0.565 -13.838 886 H GLU 644 H GLU 644 15.451 1.859 -10.403 887 HA GLU 644 HA GLU 644 17.949 2.869 -11.406 888 HB2 GLU 644 2HB GLU 644 16.089 3.744 -9.206 889 HB3 GLU 644 3HB GLU 644 17.332 4.710 -9.982 890 HG2 GLU 644 2HG GLU 644 14.854 3.486 -11.353 891 HG3 GLU 644 3HG GLU 644 15.056 5.109 -10.836 892 H TYR 645 H TYR 645 17.026 0.997 -8.693 893 HA TYR 645 HA TYR 645 19.644 1.364 -7.286 894 HB2 TYR 645 2HB TYR 645 16.918 0.805 -6.075 895 HB3 TYR 645 3HB TYR 645 18.436 0.992 -5.199 896 HD1 TYR 645 HD1 TYR 645 15.759 2.704 -7.037 897 HD2 TYR 645 HD2 TYR 645 19.448 3.239 -4.910 898 HE1 TYR 645 HE1 TYR 645 15.434 5.166 -7.125 899 HE2 TYR 645 HE2 TYR 645 19.155 5.701 -5.021 900 HH TYR 645 HH TYR 645 17.922 7.425 -5.895 901 HA PRO 646 HA PRO 646 19.053 -2.889 -9.149 902 HB2 PRO 646 2HB PRO 646 21.765 -3.449 -9.520 903 HB3 PRO 646 3HB PRO 646 20.656 -2.654 -10.681 904 HG2 PRO 646 2HG PRO 646 22.526 -1.328 -8.705 905 HG3 PRO 646 3HG PRO 646 22.319 -0.977 -10.453 906 HD2 PRO 646 2HD PRO 646 21.063 0.546 -8.657 907 HD3 PRO 646 3HD PRO 646 20.147 -0.031 -10.075 908 H MET 647 H MET 647 21.008 -2.024 -6.314 909 HA MET 647 HA MET 647 21.197 -4.666 -5.153 910 HB2 MET 647 2HB MET 647 22.457 -2.763 -4.260 911 HB3 MET 647 3HB MET 647 20.959 -1.889 -3.933 912 HG2 MET 647 2HG MET 647 20.337 -3.846 -2.351 913 HG3 MET 647 3HG MET 647 21.982 -4.400 -2.579 914 HE1 MET 647 3HE MET 647 20.384 -0.736 -2.070 915 HE2 MET 647 1HE MET 647 19.521 -1.921 -1.070 916 HE3 MET 647 2HE MET 647 20.520 -0.671 -0.298 917 H MET 648 H MET 648 18.697 -2.091 -4.885 918 HA MET 648 HA MET 648 16.951 -3.673 -3.172 919 HB2 MET 648 2HB MET 648 16.426 -1.173 -4.818 920 HB3 MET 648 3HB MET 648 15.305 -1.846 -3.638 921 HG2 MET 648 2HG MET 648 18.096 -1.091 -2.764 922 HG3 MET 648 3HG MET 648 16.915 0.160 -3.078 923 HE1 MET 648 3HE MET 648 15.926 -3.401 -1.254 924 HE2 MET 648 1HE MET 648 17.640 -3.071 -0.897 925 HE3 MET 648 2HE MET 648 16.417 -2.926 0.378 926 H ARG 649 H ARG 649 17.203 -3.051 -6.684 927 HA ARG 649 HA ARG 649 14.900 -4.425 -7.550 928 HB2 ARG 649 2HB ARG 649 16.864 -3.136 -8.815 929 HB3 ARG 649 3HB ARG 649 17.493 -4.752 -9.055 930 HG2 ARG 649 2HG ARG 649 14.906 -3.523 -10.050 931 HG3 ARG 649 3HG ARG 649 16.254 -4.158 -10.985 932 HD2 ARG 649 2HD ARG 649 15.635 -6.477 -10.146 933 HD3 ARG 649 3HD ARG 649 14.208 -5.750 -9.394 934 HE ARG 649 HE ARG 649 14.255 -4.958 -12.131 935 HH11 ARG 649 1HH1 ARG 649 13.298 -7.634 -10.130 936 HH12 ARG 649 2HH1 ARG 649 12.669 -8.561 -11.459 937 HH21 ARG 649 1HH2 ARG 649 13.106 -6.032 -13.747 938 HH22 ARG 649 2HH2 ARG 649 12.385 -7.576 -13.371 939 H ARG 650 H ARG 650 18.139 -5.933 -7.059 940 HA ARG 650 HA ARG 650 17.166 -8.600 -7.407 941 HB2 ARG 650 2HB ARG 650 19.206 -9.438 -6.424 942 HB3 ARG 650 3HB ARG 650 19.446 -8.263 -7.696 943 HG2 ARG 650 2HG ARG 650 21.170 -7.900 -6.217 944 HG3 ARG 650 3HG ARG 650 20.073 -6.571 -5.974 945 HD2 ARG 650 2HD ARG 650 21.075 -7.313 -3.885 946 HD3 ARG 650 3HD ARG 650 19.338 -7.553 -3.823 947 HE ARG 650 HE ARG 650 20.688 -9.959 -4.722 948 HH11 ARG 650 1HH1 ARG 650 20.415 -8.186 -1.686 949 HH12 ARG 650 2HH1 ARG 650 20.345 -9.676 -0.789 950 HH21 ARG 650 1HH2 ARG 650 20.742 -11.674 -3.525 951 HH22 ARG 650 2HH2 ARG 650 20.392 -11.643 -1.796 952 H ALA 651 H ALA 651 17.416 -6.729 -4.473 953 HA ALA 651 HA ALA 651 16.711 -8.726 -2.615 954 HB1 ALA 651 1HB ALA 651 16.018 -5.763 -2.503 955 HB2 ALA 651 2HB ALA 651 16.153 -6.875 -1.133 956 HB3 ALA 651 3HB ALA 651 17.600 -6.459 -2.070 957 H PHE 652 H PHE 652 14.548 -7.100 -4.893 958 HA PHE 652 HA PHE 652 12.131 -8.093 -3.490 959 HB2 PHE 652 2HB PHE 652 12.720 -6.178 -5.739 960 HB3 PHE 652 3HB PHE 652 11.135 -6.942 -5.686 961 HD1 PHE 652 2HD PHE 652 13.522 -5.159 -3.448 962 HD2 PHE 652 1HD PHE 652 9.437 -5.998 -4.416 963 HE1 PHE 652 2HE PHE 652 12.790 -3.408 -1.802 964 HE2 PHE 652 1HE PHE 652 8.683 -4.318 -2.737 965 HZ PHE 652 HZ PHE 652 10.349 -2.985 -1.484 966 H GLU 653 H GLU 653 13.954 -8.907 -6.450 967 HA GLU 653 HA GLU 653 11.870 -10.788 -7.266 968 HB2 GLU 653 2HB GLU 653 13.431 -11.473 -9.007 969 HB3 GLU 653 3HB GLU 653 12.911 -9.789 -9.031 970 HG2 GLU 653 2HG GLU 653 14.937 -9.031 -8.107 971 HG3 GLU 653 3HG GLU 653 15.568 -10.666 -7.866 972 H THR 654 H THR 654 14.780 -10.980 -5.374 973 HA THR 654 HA THR 654 15.058 -13.859 -5.409 974 HB THR 654 HB THR 654 16.865 -12.255 -4.817 975 HG1 THR 654 1HG THR 654 17.050 -13.752 -2.651 976 HG21 THR 654 1HG2 THR 654 15.413 -10.904 -3.182 977 HG22 THR 654 2HG2 THR 654 17.057 -11.322 -2.641 978 HG23 THR 654 3HG2 THR 654 15.648 -12.222 -2.031 979 H VAL 655 H VAL 655 13.395 -11.632 -3.233 980 HA VAL 655 HA VAL 655 12.348 -13.608 -1.426 981 HB VAL 655 HB VAL 655 12.633 -11.318 -0.770 982 HG11 VAL 655 1HG1 VAL 655 11.344 -9.485 -1.523 983 HG12 VAL 655 2HG1 VAL 655 12.270 -10.219 -2.839 984 HG13 VAL 655 3HG1 VAL 655 10.504 -10.504 -2.711 985 HG21 VAL 655 3HG2 VAL 655 9.641 -11.915 -0.820 986 HG22 VAL 655 1HG2 VAL 655 10.791 -12.682 0.294 987 HG23 VAL 655 2HG2 VAL 655 10.521 -10.930 0.362 988 H ALA 656 H ALA 656 11.086 -12.109 -4.387 989 HA ALA 656 HA ALA 656 8.495 -13.203 -4.329 990 HB1 ALA 656 1HB ALA 656 8.450 -12.779 -6.728 991 HB2 ALA 656 2HB ALA 656 9.270 -11.455 -5.890 992 HB3 ALA 656 3HB ALA 656 10.219 -12.670 -6.779 993 H ILE 657 H ILE 657 11.444 -14.983 -4.890 994 HA ILE 657 HA ILE 657 9.830 -17.408 -5.540 995 HB ILE 657 HB ILE 657 11.449 -16.761 -7.222 996 HG12 ILE 657 2HG1 ILE 657 12.062 -19.443 -5.926 997 HG13 ILE 657 3HG1 ILE 657 10.603 -19.081 -6.854 998 HG21 ILE 657 1HG2 ILE 657 13.253 -15.853 -5.809 999 HG22 ILE 657 2HG2 ILE 657 13.590 -17.489 -5.181 1000 HG23 ILE 657 3HG2 ILE 657 13.856 -17.093 -6.889 1001 HD11 ILE 657 3HD1 ILE 657 12.042 -18.517 -8.823 1002 HD12 ILE 657 1HD1 ILE 657 13.456 -19.090 -7.903 1003 HD13 ILE 657 2HD1 ILE 657 12.142 -20.211 -8.298 1004 H ASP 658 H ASP 658 12.095 -16.116 -3.084 1005 HA ASP 658 HA ASP 658 12.230 -18.590 -1.547 1006 HB2 ASP 658 2HB ASP 658 13.913 -16.836 -1.341 1007 HB3 ASP 658 3HB ASP 658 12.691 -15.680 -0.822 1008 H ARG 659 H ARG 659 9.895 -15.971 -1.719 1009 HA ARG 659 HA ARG 659 8.357 -16.872 0.639 1010 HB2 ARG 659 2HB ARG 659 8.929 -14.489 -0.034 1011 HB3 ARG 659 3HB ARG 659 7.763 -14.661 -1.355 1012 HG2 ARG 659 2HG ARG 659 5.954 -14.964 0.264 1013 HG3 ARG 659 3HG ARG 659 7.118 -14.952 1.616 1014 HD2 ARG 659 2HD ARG 659 7.851 -12.659 0.947 1015 HD3 ARG 659 3HD ARG 659 6.719 -12.709 -0.404 1016 HE ARG 659 HE ARG 659 4.932 -12.306 1.006 1017 HH11 ARG 659 1HH1 ARG 659 7.716 -12.949 3.110 1018 HH12 ARG 659 2HH1 ARG 659 6.840 -12.350 4.505 1019 HH21 ARG 659 1HH2 ARG 659 3.994 -11.519 2.830 1020 HH22 ARG 659 2HH2 ARG 659 4.718 -11.854 4.390 1021 H LEU 660 H LEU 660 8.332 -17.428 -2.740 1022 HA LEU 660 HA LEU 660 5.667 -18.621 -2.908 1023 HB2 LEU 660 2HB LEU 660 6.802 -17.650 -4.811 1024 HB3 LEU 660 3HB LEU 660 8.149 -18.767 -4.670 1025 HG LEU 660 HG LEU 660 5.413 -19.966 -5.035 1026 HD11 LEU 660 1HD1 LEU 660 5.547 -19.672 -7.484 1027 HD12 LEU 660 2HD1 LEU 660 6.971 -18.622 -7.288 1028 HD13 LEU 660 3HD1 LEU 660 5.388 -18.119 -6.657 1029 HD21 LEU 660 3HD2 LEU 660 7.524 -21.369 -4.873 1030 HD22 LEU 660 1HD2 LEU 660 8.094 -20.591 -6.357 1031 HD23 LEU 660 2HD2 LEU 660 6.615 -21.585 -6.372 1032 H ASP 661 H ASP 661 8.802 -19.729 -1.732 1033 HA ASP 661 HA ASP 661 8.410 -22.496 -2.138 1034 HB2 ASP 661 2HB ASP 661 10.591 -21.375 -1.710 1035 HB3 ASP 661 3HB ASP 661 10.142 -21.252 0.001 1036 H ARG 662 H ARG 662 8.137 -24.207 -0.636 1037 HA ARG 662 HA ARG 662 5.788 -24.048 1.041 1038 HB2 ARG 662 2HB ARG 662 7.852 -26.232 0.545 1039 HB3 ARG 662 3HB ARG 662 6.318 -26.472 1.381 1040 HG2 ARG 662 2HG ARG 662 5.038 -26.079 -0.605 1041 HG3 ARG 662 3HG ARG 662 6.431 -25.441 -1.479 1042 HD2 ARG 662 2HD ARG 662 5.983 -27.667 -2.252 1043 HD3 ARG 662 3HD ARG 662 7.546 -27.616 -1.427 1044 HE ARG 662 HE ARG 662 5.242 -28.440 0.224 1045 HH11 ARG 662 1HH1 ARG 662 7.872 -29.724 -1.805 1046 HH12 ARG 662 2HH1 ARG 662 7.713 -31.290 -1.014 1047 HH21 ARG 662 1HH2 ARG 662 5.267 -30.467 1.137 1048 HH22 ARG 662 2HH2 ARG 662 6.311 -31.697 0.430 1049 H ILE 663 H ILE 663 9.108 -23.515 1.828 1050 HA ILE 663 HA ILE 663 10.273 -23.290 3.742 1051 HB ILE 663 HB ILE 663 7.640 -22.561 5.042 1052 HG12 ILE 663 2HG1 ILE 663 7.665 -21.272 3.066 1053 HG13 ILE 663 3HG1 ILE 663 8.082 -20.230 4.405 1054 HG21 ILE 663 1HG2 ILE 663 9.088 -21.016 6.388 1055 HG22 ILE 663 2HG2 ILE 663 9.513 -22.700 6.661 1056 HG23 ILE 663 3HG2 ILE 663 10.526 -21.704 5.609 1057 HD11 ILE 663 3HD1 ILE 663 10.482 -20.347 3.761 1058 HD12 ILE 663 1HD1 ILE 663 10.046 -21.385 2.388 1059 HD13 ILE 663 2HD1 ILE 663 9.456 -19.715 2.458 1060 H GLY 664 H GLY 664 7.820 -24.153 5.966 1061 HA2 GLY 664 2HA GLY 664 9.326 -26.548 6.843 1062 HA3 GLY 664 3HA GLY 664 8.062 -25.696 7.730 1063 H LYS 665 H LYS 665 6.711 -26.041 4.757 1064 HA LYS 665 HA LYS 665 5.143 -28.402 5.544 1065 HB2 LYS 665 2HB LYS 665 4.861 -26.513 3.241 1066 HB3 LYS 665 3HB LYS 665 3.842 -27.909 3.523 1067 HG2 LYS 665 2HG LYS 665 2.534 -26.344 4.499 1068 HG3 LYS 665 3HG LYS 665 3.440 -26.907 5.889 1069 HD2 LYS 665 2HD LYS 665 3.306 -24.557 6.080 1070 HD3 LYS 665 3HD LYS 665 4.976 -24.831 5.559 1071 HE2 LYS 665 2HE LYS 665 4.421 -24.247 3.271 1072 HE3 LYS 665 3HE LYS 665 2.693 -24.181 3.643 1073 HZ1 LYS 665 3HZ LYS 665 3.964 -21.994 3.615 1074 HZ2 LYS 665 1HZ LYS 665 4.597 -22.435 5.077 1075 HZ3 LYS 665 2HZ LYS 665 2.976 -22.269 4.907 1076 H LYS 666 H LYS 666 5.929 -30.272 5.242 1077 HA LYS 666 HA LYS 666 7.604 -30.991 2.837 1078 HB2 LYS 666 2HB LYS 666 7.911 -31.884 5.738 1079 HB3 LYS 666 3HB LYS 666 8.881 -32.449 4.372 1080 HG2 LYS 666 2HG LYS 666 9.771 -30.165 4.028 1081 HG3 LYS 666 3HG LYS 666 8.778 -29.562 5.349 1082 HD2 LYS 666 2HD LYS 666 10.971 -29.833 6.195 1083 HD3 LYS 666 3HD LYS 666 9.963 -31.081 6.937 1084 HE2 LYS 666 2HE LYS 666 10.858 -32.767 5.365 1085 HE3 LYS 666 3HE LYS 666 11.786 -31.512 4.522 1086 HZ1 LYS 666 3HZ LYS 666 13.151 -32.736 6.109 1087 HZ2 LYS 666 1HZ LYS 666 12.196 -32.324 7.356 1088 HZ3 LYS 666 2HZ LYS 666 13.043 -31.148 6.566 1089 H ASN 667 H ASN 667 4.885 -31.840 4.822 1090 HA ASN 667 HA ASN 667 4.986 -34.657 4.471 1091 HB2 ASN 667 2HB ASN 667 3.787 -33.229 6.247 1092 HB3 ASN 667 3HB ASN 667 2.486 -33.029 5.070 1093 HD21 ASN 667 HD21 ASN 667 4.323 -35.308 7.037 1094 HD22 ASN 667 HD22 ASN 667 3.102 -36.585 6.993 1095 H SER 668 H SER 668 3.402 -32.159 2.504 1096 HA SER 668 HA SER 668 1.974 -34.057 0.806 1097 HB2 SER 668 2HB SER 668 2.466 -31.089 0.357 1098 HB3 SER 668 3HB SER 668 1.286 -32.124 -0.467 1099 HG SER 668 HG SER 668 0.384 -30.854 1.274 1100 H ILE 669 H ILE 669 2.213 -33.459 -1.667 1101 HA ILE 669 HA ILE 669 4.528 -34.897 -2.466 1102 HB ILE 669 HB ILE 669 3.577 -34.795 -4.693 1103 HG12 ILE 669 2HG1 ILE 669 1.628 -32.724 -3.576 1104 HG13 ILE 669 3HG1 ILE 669 2.892 -32.433 -4.776 1105 HG21 ILE 669 1HG2 ILE 669 2.625 -36.309 -2.913 1106 HG22 ILE 669 2HG2 ILE 669 1.329 -35.117 -2.651 1107 HG23 ILE 669 3HG2 ILE 669 1.499 -35.934 -4.219 1108 HD11 ILE 669 3HD1 ILE 669 0.358 -34.066 -5.126 1109 HD12 ILE 669 1HD1 ILE 669 0.847 -32.574 -5.946 1110 HD13 ILE 669 2HD1 ILE 669 1.705 -34.087 -6.290 1111 H LEU 670 H LEU 670 6.002 -34.396 -4.168 1112 HA LEU 670 HA LEU 670 7.312 -31.819 -3.809 1113 HB2 LEU 670 2HB LEU 670 9.194 -32.830 -4.647 1114 HB3 LEU 670 3HB LEU 670 8.395 -34.126 -3.791 1115 HG LEU 670 HG LEU 670 8.538 -33.707 -6.806 1116 HD11 LEU 670 1HD1 LEU 670 9.599 -35.909 -4.997 1117 HD12 LEU 670 2HD1 LEU 670 10.558 -34.602 -5.720 1118 HD13 LEU 670 3HD1 LEU 670 9.795 -35.815 -6.759 1119 HD21 LEU 670 3HD2 LEU 670 7.402 -35.843 -7.084 1120 HD22 LEU 670 1HD2 LEU 670 6.326 -34.666 -6.355 1121 HD23 LEU 670 2HD2 LEU 670 7.076 -35.926 -5.339 1122 H LEU 671 H LEU 671 8.488 -30.995 -5.923 1123 HA LEU 671 HA LEU 671 6.443 -29.907 -7.670 1124 HB2 LEU 671 2HB LEU 671 8.684 -28.871 -6.723 1125 HB3 LEU 671 3HB LEU 671 9.429 -29.655 -8.097 1126 HG LEU 671 HG LEU 671 9.069 -27.371 -8.593 1127 HD11 LEU 671 1HD1 LEU 671 6.815 -28.693 -10.125 1128 HD12 LEU 671 2HD1 LEU 671 8.532 -29.020 -10.458 1129 HD13 LEU 671 3HD1 LEU 671 7.879 -27.382 -10.630 1130 HD21 LEU 671 3HD2 LEU 671 7.293 -26.884 -6.958 1131 HD22 LEU 671 1HD2 LEU 671 6.105 -27.711 -7.989 1132 HD23 LEU 671 2HD2 LEU 671 6.911 -26.244 -8.564 1133 H HIS 672 H HIS 672 5.795 -30.635 -9.541 1134 HA HIS 672 HA HIS 672 5.362 -31.906 -11.316 1135 HB2 HIS 672 2HB HIS 672 7.305 -30.555 -12.056 1136 HB3 HIS 672 3HB HIS 672 8.358 -31.925 -11.743 1137 HD1 HIS 672 1HD HIS 672 5.693 -33.761 -13.195 1138 HD2 HIS 672 2HD HIS 672 8.332 -30.812 -14.617 1139 HE1 HIS 672 1HE HIS 672 5.757 -34.023 -15.727 Start of MODEL 7 1 H ASN 534 H ASN 534 6.714 13.327 5.847 2 HA ASN 534 HA ASN 534 5.603 14.081 3.244 3 HB2 ASN 534 2HB ASN 534 7.766 15.240 3.252 4 HB3 ASN 534 3HB ASN 534 8.580 13.818 3.893 5 HD21 ASN 534 HD21 ASN 534 7.781 15.495 1.026 6 HD22 ASN 534 HD22 ASN 534 8.507 14.282 -0.022 7 H CYS 535 H CYS 535 5.478 12.180 1.886 8 HA CYS 535 HA CYS 535 4.828 9.836 3.264 9 HB2 CYS 535 2HB CYS 535 3.952 10.639 1.073 10 HB3 CYS 535 3HB CYS 535 5.467 10.151 0.305 11 HG CYS 535 HG CYS 535 5.301 7.623 1.235 12 H ARG 536 H ARG 536 8.083 10.725 2.297 13 HA ARG 536 HA ARG 536 9.256 8.151 2.077 14 HB2 ARG 536 2HB ARG 536 11.360 9.213 2.444 15 HB3 ARG 536 3HB ARG 536 10.347 10.273 1.473 16 HG2 ARG 536 2HG ARG 536 9.822 11.578 3.608 17 HG3 ARG 536 3HG ARG 536 11.026 10.578 4.431 18 HD2 ARG 536 2HD ARG 536 12.780 11.350 2.891 19 HD3 ARG 536 3HD ARG 536 11.590 12.240 1.940 20 HE ARG 536 HE ARG 536 11.315 13.845 3.707 21 HH11 ARG 536 1HH1 ARG 536 13.904 11.623 4.611 22 HH12 ARG 536 2HH1 ARG 536 14.747 12.884 5.479 23 HH21 ARG 536 1HH2 ARG 536 12.243 15.205 4.982 24 HH22 ARG 536 2HH2 ARG 536 13.726 14.804 5.857 25 H LYS 537 H LYS 537 8.224 9.732 5.100 26 HA LYS 537 HA LYS 537 9.462 7.686 6.796 27 HB2 LYS 537 2HB LYS 537 9.152 9.930 7.555 28 HB3 LYS 537 3HB LYS 537 7.416 9.891 7.219 29 HG2 LYS 537 2HG LYS 537 6.995 8.365 9.023 30 HG3 LYS 537 3HG LYS 537 8.731 8.032 9.248 31 HD2 LYS 537 2HD LYS 537 9.172 10.245 9.975 32 HD3 LYS 537 3HD LYS 537 7.568 10.830 9.513 33 HE2 LYS 537 2HE LYS 537 7.894 8.614 11.573 34 HE3 LYS 537 3HE LYS 537 8.162 10.293 12.050 35 HZ1 LYS 537 3HZ LYS 537 5.854 9.618 12.435 36 HZ2 LYS 537 1HZ LYS 537 5.634 9.307 10.839 37 HZ3 LYS 537 2HZ LYS 537 5.943 10.845 11.355 38 H LEU 538 H LEU 538 6.398 7.990 5.100 39 HA LEU 538 HA LEU 538 5.067 5.941 6.731 40 HB2 LEU 538 2HB LEU 538 4.097 8.144 5.549 41 HB3 LEU 538 3HB LEU 538 3.924 7.075 4.178 42 HG LEU 538 HG LEU 538 1.838 7.074 5.217 43 HD11 LEU 538 1HD1 LEU 538 3.061 4.618 6.533 44 HD12 LEU 538 2HD1 LEU 538 2.629 4.712 4.816 45 HD13 LEU 538 3HD1 LEU 538 1.375 4.876 6.061 46 HD21 LEU 538 3HD2 LEU 538 1.427 6.796 7.620 47 HD22 LEU 538 1HD2 LEU 538 2.488 8.179 7.317 48 HD23 LEU 538 2HD2 LEU 538 3.170 6.653 7.915 49 H VAL 539 H VAL 539 6.102 6.248 3.293 50 HA VAL 539 HA VAL 539 5.425 3.586 2.457 51 HB VAL 539 HB VAL 539 6.161 5.799 1.171 52 HG11 VAL 539 1HG1 VAL 539 8.647 4.074 1.004 53 HG12 VAL 539 2HG1 VAL 539 8.298 5.520 0.044 54 HG13 VAL 539 3HG1 VAL 539 8.545 5.664 1.802 55 HG21 VAL 539 3HG2 VAL 539 4.962 4.004 0.179 56 HG22 VAL 539 1HG2 VAL 539 6.379 4.319 -0.839 57 HG23 VAL 539 2HG2 VAL 539 6.362 2.928 0.279 58 H ALA 540 H ALA 540 8.286 4.822 4.079 59 HA ALA 540 HA ALA 540 9.961 2.547 4.082 60 HB1 ALA 540 1HB ALA 540 10.708 4.766 4.677 61 HB2 ALA 540 2HB ALA 540 9.524 4.869 6.008 62 HB3 ALA 540 3HB ALA 540 10.881 3.758 6.123 63 H SER 541 H SER 541 6.890 2.784 5.590 64 HA SER 541 HA SER 541 7.571 1.106 7.929 65 HB2 SER 541 2HB SER 541 6.151 3.262 7.972 66 HB3 SER 541 3HB SER 541 4.874 2.211 7.344 67 HG SER 541 HG SER 541 4.836 2.267 9.620 68 H MET 542 H MET 542 6.647 0.598 4.749 69 HA MET 542 HA MET 542 5.203 -1.870 5.246 70 HB2 MET 542 2HB MET 542 4.676 -0.414 3.260 71 HB3 MET 542 3HB MET 542 6.357 -0.638 2.711 72 HG2 MET 542 2HG MET 542 5.989 -3.054 2.713 73 HG3 MET 542 3HG MET 542 4.282 -2.817 3.141 74 HE1 MET 542 3HE MET 542 2.981 -3.960 1.261 75 HE2 MET 542 1HE MET 542 3.652 -4.128 -0.372 76 HE3 MET 542 2HE MET 542 4.556 -4.748 1.027 77 HA PRO 543 HA PRO 543 9.127 -3.810 6.068 78 HB2 PRO 543 2HB PRO 543 8.671 -6.437 5.462 79 HB3 PRO 543 3HB PRO 543 7.921 -5.607 6.858 80 HG2 PRO 543 2HG PRO 543 6.719 -5.917 4.066 81 HG3 PRO 543 3HG PRO 543 5.991 -6.436 5.640 82 HD2 PRO 543 2HD PRO 543 5.333 -4.076 4.626 83 HD3 PRO 543 3HD PRO 543 5.786 -4.109 6.348 84 H LEU 544 H LEU 544 7.769 -4.222 2.826 85 HA LEU 544 HA LEU 544 10.096 -5.110 1.439 86 HB2 LEU 544 2HB LEU 544 7.951 -3.214 0.398 87 HB3 LEU 544 3HB LEU 544 9.021 -4.242 -0.533 88 HG LEU 544 HG LEU 544 6.706 -5.148 1.174 89 HD11 LEU 544 1HD1 LEU 544 6.186 -4.120 -1.061 90 HD12 LEU 544 2HD1 LEU 544 5.767 -5.844 -0.992 91 HD13 LEU 544 3HD1 LEU 544 7.240 -5.316 -1.833 92 HD21 LEU 544 3HD2 LEU 544 7.099 -7.389 0.331 93 HD22 LEU 544 1HD2 LEU 544 8.501 -6.847 1.265 94 HD23 LEU 544 2HD2 LEU 544 8.579 -6.864 -0.508 95 H PHE 545 H PHE 545 9.484 -2.034 2.928 96 HA PHE 545 HA PHE 545 11.780 -0.747 1.536 97 HB2 PHE 545 2HB PHE 545 9.411 0.488 2.958 98 HB3 PHE 545 3HB PHE 545 10.731 1.370 2.229 99 HD1 PHE 545 1HD PHE 545 8.008 -1.066 1.248 100 HD2 PHE 545 2HD PHE 545 10.437 2.302 0.139 101 HE1 PHE 545 1HE PHE 545 6.425 -0.525 -0.579 102 HE2 PHE 545 2HE PHE 545 8.855 2.845 -1.689 103 HZ PHE 545 HZ PHE 545 6.781 1.508 -1.953 104 H ALA 546 H ALA 546 11.387 -2.508 4.221 105 HA ALA 546 HA ALA 546 11.959 -0.854 6.500 106 HB1 ALA 546 1HB ALA 546 11.156 -3.200 6.601 107 HB2 ALA 546 2HB ALA 546 12.682 -3.718 5.820 108 HB3 ALA 546 3HB ALA 546 12.709 -3.023 7.450 109 H ASN 547 H ASN 547 13.886 -2.374 4.040 110 HA ASN 547 HA ASN 547 16.494 -1.796 5.352 111 HB2 ASN 547 2HB ASN 547 15.250 -4.101 3.794 112 HB3 ASN 547 3HB ASN 547 16.964 -3.920 3.860 113 HD21 ASN 547 HD21 ASN 547 14.263 -5.078 5.563 114 HD22 ASN 547 HD22 ASN 547 15.110 -5.372 7.080 115 H ALA 548 H ALA 548 14.658 -0.356 3.257 116 HA ALA 548 HA ALA 548 16.130 -0.286 0.805 117 HB1 ALA 548 1HB ALA 548 13.705 0.154 1.001 118 HB2 ALA 548 2HB ALA 548 14.047 1.648 1.912 119 HB3 ALA 548 3HB ALA 548 14.542 1.505 0.219 120 H ASP 549 H ASP 549 17.168 1.443 -0.254 121 HA ASP 549 HA ASP 549 18.820 3.294 1.289 122 HB2 ASP 549 2HB ASP 549 19.582 2.284 -0.831 123 HB3 ASP 549 3HB ASP 549 18.270 3.049 -1.699 124 HA PRO 550 HA PRO 550 15.356 5.995 1.846 125 HB2 PRO 550 2HB PRO 550 16.539 8.355 2.576 126 HB3 PRO 550 3HB PRO 550 16.514 6.900 3.615 127 HG2 PRO 550 2HG PRO 550 18.715 7.767 1.703 128 HG3 PRO 550 3HG PRO 550 18.877 7.351 3.449 129 HD2 PRO 550 2HD PRO 550 19.393 5.516 1.561 130 HD3 PRO 550 3HD PRO 550 18.450 5.042 3.009 131 H ASN 551 H ASN 551 17.607 6.584 -0.681 132 HA ASN 551 HA ASN 551 16.087 8.903 -1.789 133 HB2 ASN 551 2HB ASN 551 18.706 7.712 -2.710 134 HB3 ASN 551 3HB ASN 551 17.941 9.188 -3.304 135 HD21 ASN 551 HD21 ASN 551 17.325 10.743 -1.344 136 HD22 ASN 551 HD22 ASN 551 18.610 10.961 -0.157 137 H PHE 552 H PHE 552 16.901 5.505 -2.423 138 HA PHE 552 HA PHE 552 15.445 5.224 -4.910 139 HB2 PHE 552 2HB PHE 552 16.836 3.419 -4.318 140 HB3 PHE 552 3HB PHE 552 16.270 3.387 -2.665 141 HD1 PHE 552 2HD PHE 552 15.178 2.580 -6.160 142 HD2 PHE 552 1HD PHE 552 14.541 1.993 -1.949 143 HE1 PHE 552 2HE PHE 552 13.562 0.759 -6.656 144 HE2 PHE 552 1HE PHE 552 12.917 0.171 -2.442 145 HZ PHE 552 HZ PHE 552 12.434 -0.446 -4.799 146 H VAL 553 H VAL 553 14.397 4.887 -1.461 147 HA VAL 553 HA VAL 553 11.687 4.358 -2.170 148 HB VAL 553 HB VAL 553 11.002 4.607 0.003 149 HG11 VAL 553 1HG1 VAL 553 12.571 3.230 1.202 150 HG12 VAL 553 2HG1 VAL 553 12.692 2.791 -0.520 151 HG13 VAL 553 3HG1 VAL 553 13.927 3.843 0.229 152 HG21 VAL 553 3HG2 VAL 553 12.320 5.475 1.875 153 HG22 VAL 553 1HG2 VAL 553 13.512 6.092 0.737 154 HG23 VAL 553 2HG2 VAL 553 11.866 6.775 0.752 155 H THR 554 H THR 554 13.310 7.386 -1.654 156 HA THR 554 HA THR 554 10.980 9.119 -1.738 157 HB THR 554 HB THR 554 13.937 9.718 -2.100 158 HG1 THR 554 1HG THR 554 13.641 9.073 -0.056 159 HG21 THR 554 1HG2 THR 554 13.237 12.058 -1.495 160 HG22 THR 554 2HG2 THR 554 11.542 11.549 -1.682 161 HG23 THR 554 3HG2 THR 554 12.649 11.522 -3.078 162 H ALA 555 H ALA 555 13.340 7.977 -4.220 163 HA ALA 555 HA ALA 555 12.431 9.732 -6.239 164 HB1 ALA 555 1HB ALA 555 13.654 6.932 -6.446 165 HB2 ALA 555 2HB ALA 555 13.535 8.097 -7.782 166 HB3 ALA 555 3HB ALA 555 14.547 8.467 -6.372 167 H MET 556 H MET 556 10.962 6.966 -4.816 168 HA MET 556 HA MET 556 9.191 6.231 -6.987 169 HB2 MET 556 2HB MET 556 10.159 4.953 -4.910 170 HB3 MET 556 3HB MET 556 8.739 5.583 -4.067 171 HG2 MET 556 2HG MET 556 7.268 4.520 -5.720 172 HG3 MET 556 3HG MET 556 8.656 3.980 -6.652 173 HE1 MET 556 3HE MET 556 10.723 2.663 -5.247 174 HE2 MET 556 1HE MET 556 10.418 3.136 -3.553 175 HE3 MET 556 2HE MET 556 10.324 1.431 -4.022 176 H LEU 557 H LEU 557 9.047 8.834 -4.739 177 HA LEU 557 HA LEU 557 6.148 8.837 -4.415 178 HB2 LEU 557 2HB LEU 557 8.233 10.849 -3.508 179 HB3 LEU 557 3HB LEU 557 6.588 10.682 -2.899 180 HG LEU 557 HG LEU 557 8.847 8.659 -2.579 181 HD11 LEU 557 1HD1 LEU 557 9.117 10.622 -1.172 182 HD12 LEU 557 2HD1 LEU 557 8.697 9.193 -0.207 183 HD13 LEU 557 3HD1 LEU 557 7.471 10.445 -0.551 184 HD21 LEU 557 3HD2 LEU 557 5.971 8.542 -1.589 185 HD22 LEU 557 1HD2 LEU 557 7.286 7.467 -1.050 186 HD23 LEU 557 2HD2 LEU 557 6.768 7.431 -2.734 187 H THR 558 H THR 558 8.239 10.339 -6.713 188 HA THR 558 HA THR 558 7.216 12.908 -6.922 189 HB THR 558 HB THR 558 9.293 12.264 -7.921 190 HG1 THR 558 1HG THR 558 8.484 14.043 -8.856 191 HG21 THR 558 1HG2 THR 558 8.799 10.032 -8.797 192 HG22 THR 558 2HG2 THR 558 9.431 11.072 -10.067 193 HG23 THR 558 3HG2 THR 558 7.693 10.720 -10.007 194 H LYS 559 H LYS 559 5.698 10.058 -8.478 195 HA LYS 559 HA LYS 559 3.461 11.886 -9.336 196 HB2 LYS 559 2HB LYS 559 2.903 10.335 -11.087 197 HB3 LYS 559 3HB LYS 559 4.562 10.872 -11.268 198 HG2 LYS 559 2HG LYS 559 5.411 8.798 -11.049 199 HG3 LYS 559 3HG LYS 559 4.400 8.392 -9.666 200 HD2 LYS 559 2HD LYS 559 3.305 8.360 -12.496 201 HD3 LYS 559 3HD LYS 559 4.119 6.983 -11.748 202 HE2 LYS 559 2HE LYS 559 2.492 7.068 -9.831 203 HE3 LYS 559 3HE LYS 559 1.622 8.360 -10.666 204 HZ1 LYS 559 3HZ LYS 559 0.574 6.301 -11.117 205 HZ2 LYS 559 1HZ LYS 559 1.963 5.565 -11.602 206 HZ3 LYS 559 2HZ LYS 559 1.288 6.762 -12.525 207 H LEU 560 H LEU 560 4.067 10.073 -6.781 208 HA LEU 560 HA LEU 560 1.882 8.196 -6.877 209 HB2 LEU 560 2HB LEU 560 3.135 7.116 -5.492 210 HB3 LEU 560 3HB LEU 560 4.295 8.381 -5.528 211 HG LEU 560 HG LEU 560 4.089 7.785 -3.344 212 HD11 LEU 560 1HD1 LEU 560 3.416 9.644 -2.061 213 HD12 LEU 560 2HD1 LEU 560 2.278 10.207 -3.282 214 HD13 LEU 560 3HD1 LEU 560 4.023 10.277 -3.596 215 HD21 LEU 560 3HD2 LEU 560 2.115 7.514 -2.030 216 HD22 LEU 560 1HD2 LEU 560 2.004 6.513 -3.487 217 HD23 LEU 560 2HD2 LEU 560 1.076 8.016 -3.378 218 H LYS 561 H LYS 561 -0.001 8.165 -5.561 219 HA LYS 561 HA LYS 561 -1.059 10.942 -5.215 220 HB2 LYS 561 2HB LYS 561 -1.632 9.521 -7.339 221 HB3 LYS 561 3HB LYS 561 -2.647 8.590 -6.245 222 HG2 LYS 561 2HG LYS 561 -4.211 10.072 -6.931 223 HG3 LYS 561 3HG LYS 561 -3.589 11.048 -5.619 224 HD2 LYS 561 2HD LYS 561 -3.014 11.312 -8.584 225 HD3 LYS 561 3HD LYS 561 -3.830 12.464 -7.523 226 HE2 LYS 561 2HE LYS 561 -1.612 12.724 -6.277 227 HE3 LYS 561 3HE LYS 561 -0.867 11.735 -7.543 228 HZ1 LYS 561 3HZ LYS 561 -1.787 13.433 -9.143 229 HZ2 LYS 561 1HZ LYS 561 -0.581 13.985 -8.167 230 HZ3 LYS 561 2HZ LYS 561 -2.134 14.393 -7.846 231 H PHE 562 H PHE 562 -2.470 11.450 -3.684 232 HA PHE 562 HA PHE 562 -3.071 9.454 -1.578 233 HB2 PHE 562 2HB PHE 562 -2.689 11.043 -0.151 234 HB3 PHE 562 3HB PHE 562 -2.122 12.053 -1.441 235 HD1 PHE 562 2HD PHE 562 -3.672 13.780 -2.475 236 HD2 PHE 562 1HD PHE 562 -4.736 11.454 0.983 237 HE1 PHE 562 2HE PHE 562 -5.421 15.451 -1.894 238 HE2 PHE 562 1HE PHE 562 -6.452 13.153 1.606 239 HZ PHE 562 HZ PHE 562 -6.813 15.141 0.146 240 H GLU 563 H GLU 563 -5.210 9.145 -0.704 241 HA GLU 563 HA GLU 563 -7.463 10.379 -2.175 242 HB2 GLU 563 2HB GLU 563 -7.035 8.476 -3.589 243 HB3 GLU 563 3HB GLU 563 -7.049 7.360 -2.214 244 HG2 GLU 563 2HG GLU 563 -9.382 7.559 -1.916 245 HG3 GLU 563 3HG GLU 563 -9.467 9.073 -2.795 246 H VAL 564 H VAL 564 -9.540 10.169 -1.103 247 HA VAL 564 HA VAL 564 -9.326 9.553 1.822 248 HB VAL 564 HB VAL 564 -10.911 11.825 0.569 249 HG11 VAL 564 1HG1 VAL 564 -10.201 11.394 3.486 250 HG12 VAL 564 2HG1 VAL 564 -11.203 12.664 2.727 251 HG13 VAL 564 3HG1 VAL 564 -11.808 11.040 2.780 252 HG21 VAL 564 3HG2 VAL 564 -8.249 11.841 2.030 253 HG22 VAL 564 1HG2 VAL 564 -8.540 12.342 0.342 254 HG23 VAL 564 2HG2 VAL 564 -9.216 13.290 1.667 255 H PHE 565 H PHE 565 -11.053 8.751 2.892 256 HA PHE 565 HA PHE 565 -13.613 8.254 1.477 257 HB2 PHE 565 2HB PHE 565 -12.058 6.186 3.057 258 HB3 PHE 565 3HB PHE 565 -13.727 6.009 2.529 259 HD1 PHE 565 2HD PHE 565 -10.184 6.173 1.368 260 HD2 PHE 565 1HD PHE 565 -14.304 5.605 0.191 261 HE1 PHE 565 2HE PHE 565 -9.451 5.191 -0.802 262 HE2 PHE 565 1HE PHE 565 -13.555 4.629 -1.961 263 HZ PHE 565 HZ PHE 565 -11.120 4.362 -2.424 264 H GLN 566 H GLN 566 -15.427 8.029 2.912 265 HA GLN 566 HA GLN 566 -15.077 9.442 5.535 266 HB2 GLN 566 2HB GLN 566 -16.587 10.146 3.054 267 HB3 GLN 566 3HB GLN 566 -17.374 10.518 4.578 268 HG2 GLN 566 2HG GLN 566 -15.650 11.945 5.310 269 HG3 GLN 566 3HG GLN 566 -14.448 11.230 4.237 270 HE21 GLN 566 HE21 GLN 566 -14.595 11.699 1.849 271 HE22 GLN 566 HE22 GLN 566 -15.208 13.293 1.501 272 HA PRO 567 HA PRO 567 -17.209 6.718 7.785 273 HB2 PRO 567 2HB PRO 567 -19.586 8.344 8.558 274 HB3 PRO 567 3HB PRO 567 -18.304 7.650 9.573 275 HG2 PRO 567 2HG PRO 567 -18.505 10.345 8.879 276 HG3 PRO 567 3HG PRO 567 -16.986 9.557 9.333 277 HD2 PRO 567 2HD PRO 567 -17.925 10.400 6.675 278 HD3 PRO 567 3HD PRO 567 -16.265 10.115 7.250 279 H GLY 568 H GLY 568 -17.936 4.951 6.765 280 HA2 GLY 568 2HA GLY 568 -19.821 3.456 6.496 281 HA3 GLY 568 3HA GLY 568 -20.785 4.789 5.876 282 H ASP 569 H ASP 569 -17.863 5.284 4.356 283 HA ASP 569 HA ASP 569 -18.921 3.971 1.992 284 HB2 ASP 569 2HB ASP 569 -18.178 6.449 2.227 285 HB3 ASP 569 3HB ASP 569 -16.555 5.825 1.943 286 H TYR 570 H TYR 570 -18.112 2.316 0.960 287 HA TYR 570 HA TYR 570 -16.018 0.675 2.126 288 HB2 TYR 570 2HB TYR 570 -17.878 0.379 -0.225 289 HB3 TYR 570 3HB TYR 570 -16.546 -0.735 0.025 290 HD1 TYR 570 HD1 TYR 570 -19.460 0.746 1.937 291 HD2 TYR 570 HD2 TYR 570 -16.791 -2.600 1.385 292 HE1 TYR 570 HE1 TYR 570 -20.741 -0.549 3.610 293 HE2 TYR 570 HE2 TYR 570 -18.119 -3.920 3.017 294 HH TYR 570 HH TYR 570 -21.062 -2.596 4.550 295 H ILE 571 H ILE 571 -13.930 0.395 1.553 296 HA ILE 571 HA ILE 571 -12.961 2.504 -0.244 297 HB ILE 571 HB ILE 571 -10.886 2.317 0.909 298 HG12 ILE 571 2HG1 ILE 571 -12.080 0.235 2.791 299 HG13 ILE 571 3HG1 ILE 571 -11.168 -0.239 1.366 300 HG21 ILE 571 1HG2 ILE 571 -13.085 2.258 3.027 301 HG22 ILE 571 2HG2 ILE 571 -11.568 3.178 3.035 302 HG23 ILE 571 3HG2 ILE 571 -12.879 3.595 1.910 303 HD11 ILE 571 3HD1 ILE 571 -10.076 1.498 3.542 304 HD12 ILE 571 1HD1 ILE 571 -9.749 -0.228 3.234 305 HD13 ILE 571 2HD1 ILE 571 -9.244 0.990 2.037 306 H ILE 572 H ILE 572 -12.762 -1.019 -0.169 307 HA ILE 572 HA ILE 572 -10.730 -1.098 -2.333 308 HB ILE 572 HB ILE 572 -11.264 -2.574 0.240 309 HG12 ILE 572 2HG1 ILE 572 -8.750 -1.619 -1.167 310 HG13 ILE 572 3HG1 ILE 572 -9.637 -0.651 -0.063 311 HG21 ILE 572 1HG2 ILE 572 -9.806 -4.412 -0.309 312 HG22 ILE 572 2HG2 ILE 572 -11.202 -4.438 -1.364 313 HG23 ILE 572 3HG2 ILE 572 -9.629 -3.842 -1.981 314 HD11 ILE 572 3HD1 ILE 572 -7.704 -1.573 1.062 315 HD12 ILE 572 1HD1 ILE 572 -9.181 -2.222 1.792 316 HD13 ILE 572 2HD1 ILE 572 -8.212 -3.229 0.699 317 H ARG 573 H ARG 573 -10.762 -2.706 -3.908 318 HA ARG 573 HA ARG 573 -13.013 -4.549 -4.204 319 HB2 ARG 573 2HB ARG 573 -13.721 -2.262 -5.143 320 HB3 ARG 573 3HB ARG 573 -12.460 -2.446 -6.360 321 HG2 ARG 573 2HG ARG 573 -13.625 -4.482 -7.220 322 HG3 ARG 573 3HG ARG 573 -14.857 -4.300 -5.965 323 HD2 ARG 573 2HD ARG 573 -14.214 -2.206 -8.084 324 HD3 ARG 573 3HD ARG 573 -15.452 -3.438 -8.271 325 HE ARG 573 HE ARG 573 -16.612 -2.499 -6.273 326 HH11 ARG 573 1HH1 ARG 573 -14.369 -0.239 -7.877 327 HH12 ARG 573 2HH1 ARG 573 -15.245 1.106 -7.150 328 HH21 ARG 573 1HH2 ARG 573 -17.760 -0.627 -5.797 329 HH22 ARG 573 2HH2 ARG 573 -16.951 0.913 -6.075 330 H GLU 574 H GLU 574 -12.651 -6.071 -6.032 331 HA GLU 574 HA GLU 574 -9.874 -6.734 -6.737 332 HB2 GLU 574 2HB GLU 574 -12.307 -8.099 -6.659 333 HB3 GLU 574 3HB GLU 574 -11.970 -7.957 -8.372 334 HG2 GLU 574 2HG GLU 574 -10.046 -9.061 -6.267 335 HG3 GLU 574 3HG GLU 574 -11.142 -10.051 -7.222 336 H GLY 575 H GLY 575 -9.056 -6.836 -8.838 337 HA2 GLY 575 2HA GLY 575 -10.201 -5.394 -11.081 338 HA3 GLY 575 3HA GLY 575 -8.872 -4.499 -10.341 339 H THR 576 H THR 576 -8.257 -7.759 -9.897 340 HA THR 576 HA THR 576 -6.919 -9.263 -10.648 341 HB THR 576 HB THR 576 -6.722 -9.924 -12.898 342 HG1 THR 576 1HG THR 576 -7.442 -7.268 -13.404 343 HG21 THR 576 1HG2 THR 576 -9.450 -8.597 -12.680 344 HG22 THR 576 2HG2 THR 576 -8.982 -10.031 -11.772 345 HG23 THR 576 3HG2 THR 576 -9.002 -10.093 -13.548 346 H ILE 577 H ILE 577 -4.830 -9.612 -12.279 347 HA ILE 577 HA ILE 577 -2.892 -8.418 -10.572 348 HB ILE 577 HB ILE 577 -2.618 -10.020 -13.122 349 HG12 ILE 577 2HG1 ILE 577 -1.321 -11.360 -11.062 350 HG13 ILE 577 3HG1 ILE 577 -2.566 -10.531 -10.163 351 HG21 ILE 577 1HG2 ILE 577 -0.192 -10.155 -12.734 352 HG22 ILE 577 2HG2 ILE 577 -0.679 -8.496 -13.121 353 HG23 ILE 577 3HG2 ILE 577 -0.317 -8.950 -11.444 354 HD11 ILE 577 3HD1 ILE 577 -2.974 -12.413 -12.524 355 HD12 ILE 577 1HD1 ILE 577 -3.345 -12.736 -10.820 356 HD13 ILE 577 2HD1 ILE 577 -4.284 -11.527 -11.716 357 H GLY 578 H GLY 578 -1.559 -6.791 -10.644 358 HA2 GLY 578 2HA GLY 578 -0.365 -4.980 -11.617 359 HA3 GLY 578 3HA GLY 578 -1.468 -5.021 -12.994 360 H LYS 579 H LYS 579 -3.613 -5.343 -10.538 361 HA LYS 579 HA LYS 579 -4.324 -2.639 -10.081 362 HB2 LYS 579 2HB LYS 579 -5.858 -4.469 -9.719 363 HB3 LYS 579 3HB LYS 579 -4.839 -5.141 -8.439 364 HG2 LYS 579 2HG LYS 579 -5.298 -3.218 -6.992 365 HG3 LYS 579 3HG LYS 579 -6.102 -2.366 -8.321 366 HD2 LYS 579 2HD LYS 579 -7.829 -3.206 -6.912 367 HD3 LYS 579 3HD LYS 579 -7.824 -4.156 -8.385 368 HE2 LYS 579 2HE LYS 579 -7.881 -5.963 -7.017 369 HE3 LYS 579 3HE LYS 579 -6.155 -5.690 -6.816 370 HZ1 LYS 579 3HZ LYS 579 -7.321 -5.871 -4.692 371 HZ2 LYS 579 1HZ LYS 579 -8.309 -4.631 -5.082 372 HZ3 LYS 579 2HZ LYS 579 -6.709 -4.332 -4.828 373 H LYS 580 H LYS 580 -3.789 -1.182 -8.572 374 HA LYS 580 HA LYS 580 -1.162 -1.423 -7.367 375 HB2 LYS 580 2HB LYS 580 -1.291 0.975 -7.093 376 HB3 LYS 580 3HB LYS 580 -1.765 0.512 -8.724 377 HG2 LYS 580 2HG LYS 580 -4.122 0.859 -8.177 378 HG3 LYS 580 3HG LYS 580 -3.722 1.194 -6.476 379 HD2 LYS 580 2HD LYS 580 -2.395 3.139 -7.111 380 HD3 LYS 580 3HD LYS 580 -2.689 2.838 -8.830 381 HE2 LYS 580 2HE LYS 580 -4.796 3.577 -6.746 382 HE3 LYS 580 3HE LYS 580 -4.134 4.635 -7.993 383 HZ1 LYS 580 3HZ LYS 580 -5.790 2.216 -8.460 384 HZ2 LYS 580 1HZ LYS 580 -5.061 3.055 -9.670 385 HZ3 LYS 580 2HZ LYS 580 -6.227 3.752 -8.753 386 H MET 581 H MET 581 -0.687 -0.282 -5.345 387 HA MET 581 HA MET 581 -2.081 -1.794 -3.194 388 HB2 MET 581 2HB MET 581 0.158 -2.464 -3.662 389 HB3 MET 581 3HB MET 581 0.763 -0.811 -3.632 390 HG2 MET 581 2HG MET 581 -0.476 -2.025 -1.159 391 HG3 MET 581 3HG MET 581 1.181 -2.405 -1.622 392 HE1 MET 581 3HE MET 581 1.347 0.083 1.448 393 HE2 MET 581 1HE MET 581 0.297 -1.296 1.021 394 HE3 MET 581 2HE MET 581 2.046 -1.432 0.813 395 H TYR 582 H TYR 582 -2.494 -0.821 -1.124 396 HA TYR 582 HA TYR 582 -2.625 2.152 -1.135 397 HB2 TYR 582 2HB TYR 582 -4.823 0.167 -0.460 398 HB3 TYR 582 3HB TYR 582 -4.852 1.842 0.046 399 HD1 TYR 582 HD2 TYR 582 -4.725 -0.308 -3.030 400 HD2 TYR 582 HD1 TYR 582 -5.669 3.547 -1.346 401 HE1 TYR 582 HE2 TYR 582 -5.793 0.365 -5.172 402 HE2 TYR 582 HE1 TYR 582 -6.770 4.205 -3.480 403 HH TYR 582 HH TYR 582 -6.943 1.981 -6.287 404 H PHE 583 H PHE 583 -2.535 3.211 0.866 405 HA PHE 583 HA PHE 583 -2.249 1.580 3.304 406 HB2 PHE 583 2HB PHE 583 -0.041 2.458 3.891 407 HB3 PHE 583 3HB PHE 583 -0.050 1.476 2.475 408 HD1 PHE 583 1HD PHE 583 0.471 2.321 0.262 409 HD2 PHE 583 2HD PHE 583 0.500 4.909 3.700 410 HE1 PHE 583 1HE PHE 583 1.938 3.901 -0.955 411 HE2 PHE 583 2HE PHE 583 1.985 6.499 2.478 412 HZ PHE 583 HZ PHE 583 2.728 5.973 0.162 413 H ILE 584 H ILE 584 -2.318 2.643 5.293 414 HA ILE 584 HA ILE 584 -4.253 4.859 5.134 415 HB ILE 584 HB ILE 584 -3.502 3.238 7.612 416 HG12 ILE 584 2HG1 ILE 584 -5.590 2.572 5.483 417 HG13 ILE 584 3HG1 ILE 584 -4.153 1.628 5.867 418 HG21 ILE 584 1HG2 ILE 584 -4.870 5.423 7.820 419 HG22 ILE 584 2HG2 ILE 584 -6.106 4.690 6.790 420 HG23 ILE 584 3HG2 ILE 584 -5.738 3.998 8.374 421 HD11 ILE 584 3HD1 ILE 584 -5.071 1.338 8.201 422 HD12 ILE 584 1HD1 ILE 584 -6.613 1.991 7.589 423 HD13 ILE 584 2HD1 ILE 584 -5.919 0.505 6.885 424 H GLN 585 H GLN 585 -3.664 6.945 5.454 425 HA GLN 585 HA GLN 585 -1.089 7.434 6.847 426 HB2 GLN 585 2HB GLN 585 -1.815 8.393 4.526 427 HB3 GLN 585 3HB GLN 585 -2.695 9.593 5.474 428 HG2 GLN 585 2HG GLN 585 0.264 8.906 5.791 429 HG3 GLN 585 3HG GLN 585 -0.337 10.230 4.799 430 HE21 GLN 585 HE21 GLN 585 -1.553 11.952 5.898 431 HE22 GLN 585 HE22 GLN 585 -1.029 12.415 7.507 432 H HIS 586 H HIS 586 -4.444 8.692 6.994 433 HA HIS 586 HA HIS 586 -4.266 8.789 9.972 434 HB2 HIS 586 2HB HIS 586 -4.496 11.180 8.139 435 HB3 HIS 586 3HB HIS 586 -5.526 11.156 9.554 436 HD1 HIS 586 1HD HIS 586 -1.676 10.486 9.223 437 HD2 HIS 586 2HD HIS 586 -4.580 12.665 11.350 438 HE1 HIS 586 1HE HIS 586 -0.409 11.923 10.896 439 H GLY 587 H GLY 587 -5.976 7.432 10.488 440 HA2 GLY 587 2HA GLY 587 -8.428 8.292 10.902 441 HA3 GLY 587 3HA GLY 587 -8.612 7.786 9.227 442 H VAL 588 H VAL 588 -10.199 6.261 10.176 443 HA VAL 588 HA VAL 588 -8.935 3.783 11.161 444 HB VAL 588 HB VAL 588 -11.465 4.882 12.435 445 HG11 VAL 588 1HG1 VAL 588 -9.558 2.662 13.263 446 HG12 VAL 588 2HG1 VAL 588 -10.983 3.195 14.164 447 HG13 VAL 588 3HG1 VAL 588 -11.189 2.451 12.582 448 HG21 VAL 588 3HG2 VAL 588 -9.689 6.421 13.123 449 HG22 VAL 588 1HG2 VAL 588 -10.110 5.360 14.463 450 HG23 VAL 588 2HG2 VAL 588 -8.634 5.050 13.533 451 H VAL 589 H VAL 589 -9.949 1.915 10.477 452 HA VAL 589 HA VAL 589 -12.392 2.162 8.765 453 HB VAL 589 HB VAL 589 -11.498 0.536 7.209 454 HG11 VAL 589 1HG1 VAL 589 -9.890 1.923 6.051 455 HG12 VAL 589 2HG1 VAL 589 -11.120 2.970 6.776 456 HG13 VAL 589 3HG1 VAL 589 -9.518 2.823 7.533 457 HG21 VAL 589 3HG2 VAL 589 -9.972 -0.708 8.613 458 HG22 VAL 589 1HG2 VAL 589 -9.087 -0.069 7.241 459 HG23 VAL 589 2HG2 VAL 589 -8.914 0.718 8.813 460 H SER 590 H SER 590 -13.737 0.457 8.646 461 HA SER 590 HA SER 590 -13.635 -1.608 10.847 462 HB2 SER 590 2HB SER 590 -16.079 -0.334 9.509 463 HB3 SER 590 3HB SER 590 -16.090 -1.606 10.757 464 HG SER 590 HG SER 590 -16.414 0.547 11.559 465 H VAL 591 H VAL 591 -13.743 -3.605 10.176 466 HA VAL 591 HA VAL 591 -13.199 -3.960 7.282 467 HB VAL 591 HB VAL 591 -11.315 -2.997 8.469 468 HG11 VAL 591 1HG1 VAL 591 -11.941 -5.136 10.496 469 HG12 VAL 591 2HG1 VAL 591 -10.396 -4.249 10.555 470 HG13 VAL 591 3HG1 VAL 591 -11.863 -3.319 10.713 471 HG21 VAL 591 3HG2 VAL 591 -10.712 -5.077 7.208 472 HG22 VAL 591 1HG2 VAL 591 -9.676 -4.571 8.594 473 HG23 VAL 591 2HG2 VAL 591 -10.828 -5.921 8.829 474 H LEU 592 H LEU 592 -13.111 -6.124 6.561 475 HA LEU 592 HA LEU 592 -13.704 -8.180 8.646 476 HB2 LEU 592 2HB LEU 592 -14.497 -8.082 5.692 477 HB3 LEU 592 3HB LEU 592 -14.487 -9.570 6.580 478 HG LEU 592 HG LEU 592 -16.718 -8.603 6.190 479 HD11 LEU 592 1HD1 LEU 592 -17.552 -9.102 8.464 480 HD12 LEU 592 2HD1 LEU 592 -15.872 -9.053 9.058 481 HD13 LEU 592 3HD1 LEU 592 -16.362 -10.279 7.884 482 HD21 LEU 592 3HD2 LEU 592 -16.184 -6.190 6.676 483 HD22 LEU 592 1HD2 LEU 592 -16.174 -6.617 8.408 484 HD23 LEU 592 2HD2 LEU 592 -17.644 -6.831 7.445 485 H THR 593 H THR 593 -12.088 -9.649 8.893 486 HA THR 593 HA THR 593 -10.347 -10.157 6.503 487 HB THR 593 HB THR 593 -9.190 -11.834 8.022 488 HG1 THR 593 1HG THR 593 -9.245 -11.211 10.184 489 HG21 THR 593 1HG2 THR 593 -7.841 -9.964 8.953 490 HG22 THR 593 2HG2 THR 593 -9.137 -8.816 8.461 491 HG23 THR 593 3HG2 THR 593 -8.233 -9.735 7.242 492 H LYS 594 H LYS 594 -10.678 -11.584 5.051 493 HA LYS 594 HA LYS 594 -12.734 -13.541 5.036 494 HB2 LYS 594 2HB LYS 594 -11.847 -14.384 3.074 495 HB3 LYS 594 3HB LYS 594 -11.535 -12.660 3.014 496 HG2 LYS 594 2HG LYS 594 -9.494 -14.818 3.722 497 HG3 LYS 594 3HG LYS 594 -9.723 -14.096 2.128 498 HD2 LYS 594 2HD LYS 594 -9.094 -11.872 3.019 499 HD3 LYS 594 3HD LYS 594 -8.848 -12.593 4.618 500 HE2 LYS 594 2HE LYS 594 -6.705 -12.328 3.593 501 HE3 LYS 594 3HE LYS 594 -7.068 -14.057 3.701 502 HZ1 LYS 594 3HZ LYS 594 -6.127 -13.392 1.566 503 HZ2 LYS 594 1HZ LYS 594 -7.421 -12.416 1.258 504 HZ3 LYS 594 2HZ LYS 594 -7.613 -14.057 1.365 505 H GLY 595 H GLY 595 -12.704 -15.803 5.259 506 HA2 GLY 595 2HA GLY 595 -12.233 -17.736 6.556 507 HA3 GLY 595 3HA GLY 595 -10.702 -16.983 7.069 508 H ASN 596 H ASN 596 -12.304 -14.480 7.861 509 HA ASN 596 HA ASN 596 -12.305 -15.500 10.669 510 HB2 ASN 596 2HB ASN 596 -10.825 -13.237 9.452 511 HB3 ASN 596 3HB ASN 596 -10.628 -13.813 11.057 512 HD21 ASN 596 HD21 ASN 596 -8.403 -13.408 9.786 513 HD22 ASN 596 HD22 ASN 596 -7.656 -14.963 9.514 514 H LYS 597 H LYS 597 -11.907 -12.346 10.918 515 HA LYS 597 HA LYS 597 -14.648 -12.248 11.972 516 HB2 LYS 597 2HB LYS 597 -12.979 -10.467 13.443 517 HB3 LYS 597 3HB LYS 597 -13.804 -11.877 14.011 518 HG2 LYS 597 2HG LYS 597 -11.066 -11.996 12.689 519 HG3 LYS 597 3HG LYS 597 -11.267 -11.521 14.351 520 HD2 LYS 597 2HD LYS 597 -10.628 -13.964 13.876 521 HD3 LYS 597 3HD LYS 597 -11.876 -13.633 15.104 522 HE2 LYS 597 2HE LYS 597 -13.601 -14.192 13.365 523 HE3 LYS 597 3HE LYS 597 -12.245 -14.535 12.262 524 HZ1 LYS 597 3HZ LYS 597 -11.522 -16.292 13.743 525 HZ2 LYS 597 1HZ LYS 597 -13.034 -16.574 13.246 526 HZ3 LYS 597 2HZ LYS 597 -12.767 -16.006 14.785 527 H GLU 598 H GLU 598 -15.341 -10.220 12.760 528 HA GLU 598 HA GLU 598 -14.898 -8.043 10.820 529 HB2 GLU 598 2HB GLU 598 -16.947 -6.969 11.557 530 HB3 GLU 598 3HB GLU 598 -17.229 -8.557 10.839 531 HG2 GLU 598 2HG GLU 598 -17.363 -9.520 13.179 532 HG3 GLU 598 3HG GLU 598 -17.298 -7.865 13.775 533 H MET 599 H MET 599 -13.726 -6.487 11.363 534 HA MET 599 HA MET 599 -12.857 -5.967 14.150 535 HB2 MET 599 2HB MET 599 -11.192 -6.611 11.766 536 HB3 MET 599 3HB MET 599 -10.539 -5.784 13.185 537 HG2 MET 599 2HG MET 599 -11.304 -7.659 14.614 538 HG3 MET 599 3HG MET 599 -11.865 -8.505 13.167 539 HE1 MET 599 3HE MET 599 -10.400 -8.881 11.131 540 HE2 MET 599 1HE MET 599 -9.228 -7.553 11.125 541 HE3 MET 599 2HE MET 599 -8.643 -9.227 11.186 542 H LYS 600 H LYS 600 -11.475 -4.030 14.378 543 HA LYS 600 HA LYS 600 -11.806 -2.067 12.297 544 HB2 LYS 600 2HB LYS 600 -12.539 -1.810 14.993 545 HB3 LYS 600 3HB LYS 600 -10.815 -1.543 15.169 546 HG2 LYS 600 2HG LYS 600 -11.746 0.582 15.025 547 HG3 LYS 600 3HG LYS 600 -11.059 0.260 13.424 548 HD2 LYS 600 2HD LYS 600 -13.200 1.141 12.879 549 HD3 LYS 600 3HD LYS 600 -13.412 -0.615 12.814 550 HE2 LYS 600 2HE LYS 600 -15.325 0.227 13.912 551 HE3 LYS 600 3HE LYS 600 -14.332 -0.562 15.140 552 HZ1 LYS 600 3HZ LYS 600 -14.601 2.369 14.702 553 HZ2 LYS 600 1HZ LYS 600 -13.497 1.700 15.729 554 HZ3 LYS 600 2HZ LYS 600 -15.086 1.507 16.003 555 H LEU 601 H LEU 601 -9.996 -0.696 11.942 556 HA LEU 601 HA LEU 601 -7.251 -1.627 12.461 557 HB2 LEU 601 2HB LEU 601 -7.776 -3.073 10.668 558 HB3 LEU 601 3HB LEU 601 -8.848 -1.931 9.916 559 HG LEU 601 HG LEU 601 -6.857 -0.557 9.206 560 HD11 LEU 601 1HD1 LEU 601 -5.356 -3.020 10.172 561 HD12 LEU 601 2HD1 LEU 601 -5.240 -1.404 10.891 562 HD13 LEU 601 3HD1 LEU 601 -4.683 -1.680 9.230 563 HD21 LEU 601 3HD2 LEU 601 -7.947 -2.191 7.690 564 HD22 LEU 601 1HD2 LEU 601 -6.873 -3.465 8.304 565 HD23 LEU 601 2HD2 LEU 601 -6.200 -2.085 7.413 566 H SER 602 H SER 602 -5.713 0.123 11.890 567 HA SER 602 HA SER 602 -6.899 2.784 11.303 568 HB2 SER 602 2HB SER 602 -7.234 2.355 13.708 569 HB3 SER 602 3HB SER 602 -5.487 2.206 13.922 570 HG SER 602 HG SER 602 -6.365 4.308 14.414 571 H ASP 603 H ASP 603 -5.104 4.459 11.874 572 HA ASP 603 HA ASP 603 -3.591 4.423 9.546 573 HB2 ASP 603 2HB ASP 603 -2.791 6.523 10.079 574 HB3 ASP 603 3HB ASP 603 -4.409 6.436 10.743 575 H GLY 604 H GLY 604 -1.425 4.622 8.965 576 HA2 GLY 604 2HA GLY 604 0.839 4.105 9.062 577 HA3 GLY 604 3HA GLY 604 0.632 3.536 10.721 578 H SER 605 H SER 605 -1.660 2.204 8.681 579 HA SER 605 HA SER 605 -0.293 -0.448 8.484 580 HB2 SER 605 2HB SER 605 -3.244 0.206 8.601 581 HB3 SER 605 3HB SER 605 -2.492 -1.411 8.708 582 HG SER 605 HG SER 605 -2.889 0.516 10.611 583 H TYR 606 H TYR 606 -1.322 -1.875 6.639 584 HA TYR 606 HA TYR 606 -2.105 -0.285 4.277 585 HB2 TYR 606 2HB TYR 606 -0.279 -0.898 2.951 586 HB3 TYR 606 3HB TYR 606 0.363 -0.143 4.387 587 HD1 TYR 606 HD1 TYR 606 1.566 -1.474 6.098 588 HD2 TYR 606 HD2 TYR 606 0.137 -3.265 2.442 589 HE1 TYR 606 HE1 TYR 606 3.017 -3.477 6.498 590 HE2 TYR 606 HE2 TYR 606 1.598 -5.238 2.835 591 HH TYR 606 HH TYR 606 3.190 -6.197 4.173 592 H PHE 607 H PHE 607 -2.764 -1.373 2.433 593 HA PHE 607 HA PHE 607 -3.609 -4.165 2.487 594 HB2 PHE 607 2HB PHE 607 -6.007 -3.629 2.806 595 HB3 PHE 607 3HB PHE 607 -5.020 -3.384 4.211 596 HD1 PHE 607 1HD PHE 607 -4.645 -0.509 1.973 597 HD2 PHE 607 2HD PHE 607 -7.244 -2.362 4.877 598 HE1 PHE 607 1HE PHE 607 -5.693 1.672 2.422 599 HE2 PHE 607 2HE PHE 607 -8.345 -0.162 5.251 600 HZ PHE 607 HZ PHE 607 -7.558 1.843 4.074 601 H GLY 608 H GLY 608 -5.709 -4.301 0.887 602 HA2 GLY 608 2HA GLY 608 -6.796 -3.550 -1.067 603 HA3 GLY 608 3HA GLY 608 -5.450 -2.476 -1.444 604 H GLU 609 H GLU 609 -3.306 -3.754 -1.812 605 HA GLU 609 HA GLU 609 -3.543 -6.469 -2.803 606 HB2 GLU 609 2HB GLU 609 -3.448 -4.216 -4.722 607 HB3 GLU 609 3HB GLU 609 -2.107 -5.324 -4.938 608 HG2 GLU 609 2HG GLU 609 -5.024 -6.155 -4.893 609 HG3 GLU 609 3HG GLU 609 -4.073 -5.842 -6.343 610 H ILE 610 H ILE 610 -1.606 -7.492 -2.975 611 HA ILE 610 HA ILE 610 0.830 -5.923 -2.932 612 HB ILE 610 HB ILE 610 0.735 -8.311 -1.040 613 HG12 ILE 610 2HG1 ILE 610 1.690 -6.440 0.548 614 HG13 ILE 610 3HG1 ILE 610 0.880 -5.312 -0.528 615 HG21 ILE 610 1HG2 ILE 610 2.928 -6.507 -2.171 616 HG22 ILE 610 2HG2 ILE 610 3.170 -7.518 -0.718 617 HG23 ILE 610 3HG2 ILE 610 2.817 -8.275 -2.252 618 HD11 ILE 610 3HD1 ILE 610 -0.481 -5.849 1.446 619 HD12 ILE 610 1HD1 ILE 610 -1.303 -6.485 0.019 620 HD13 ILE 610 2HD1 ILE 610 -0.396 -7.581 1.081 621 H CYS 611 H CYS 611 1.017 -6.285 -4.985 622 HA CYS 611 HA CYS 611 1.205 -9.053 -6.116 623 HB2 CYS 611 2HB CYS 611 -0.594 -7.458 -6.823 624 HB3 CYS 611 3HB CYS 611 0.684 -6.316 -7.275 625 HG CYS 611 HG CYS 611 1.839 -8.219 -8.924 626 H LEU 612 H LEU 612 3.243 -6.841 -4.883 627 HA LEU 612 HA LEU 612 4.818 -5.826 -6.965 628 HB2 LEU 612 2HB LEU 612 4.374 -5.100 -4.516 629 HB3 LEU 612 3HB LEU 612 5.649 -6.198 -4.055 630 HG LEU 612 HG LEU 612 6.323 -3.874 -4.104 631 HD11 LEU 612 1HD1 LEU 612 8.373 -3.978 -5.259 632 HD12 LEU 612 2HD1 LEU 612 7.800 -5.203 -6.394 633 HD13 LEU 612 3HD1 LEU 612 8.041 -5.601 -4.675 634 HD21 LEU 612 3HD2 LEU 612 4.794 -3.199 -6.029 635 HD22 LEU 612 1HD2 LEU 612 6.070 -3.795 -7.126 636 HD23 LEU 612 2HD2 LEU 612 6.406 -2.495 -5.966 637 H LEU 613 H LEU 613 5.412 -8.690 -4.937 638 HA LEU 613 HA LEU 613 7.296 -9.692 -6.981 639 HB2 LEU 613 2HB LEU 613 7.910 -10.368 -4.115 640 HB3 LEU 613 3HB LEU 613 8.889 -10.508 -5.556 641 HG LEU 613 HG LEU 613 8.712 -7.820 -5.507 642 HD11 LEU 613 1HD1 LEU 613 8.486 -8.704 -2.586 643 HD12 LEU 613 2HD1 LEU 613 7.244 -7.822 -3.487 644 HD13 LEU 613 3HD1 LEU 613 8.812 -7.054 -3.133 645 HD21 LEU 613 3HD2 LEU 613 10.839 -7.749 -4.304 646 HD22 LEU 613 1HD2 LEU 613 10.821 -9.124 -5.419 647 HD23 LEU 613 2HD2 LEU 613 10.565 -9.389 -3.681 648 H THR 614 H THR 614 4.462 -10.059 -6.260 649 HA THR 614 HA THR 614 4.261 -12.788 -5.052 650 HB THR 614 HB THR 614 2.524 -11.621 -3.552 651 HG1 THR 614 1HG THR 614 2.178 -9.663 -4.003 652 HG21 THR 614 1HG2 THR 614 4.702 -12.119 -2.551 653 HG22 THR 614 2HG2 THR 614 4.101 -10.523 -2.030 654 HG23 THR 614 3HG2 THR 614 5.389 -10.630 -3.243 655 H ARG 615 H ARG 615 2.026 -13.594 -4.865 656 HA ARG 615 HA ARG 615 0.449 -13.277 -7.304 657 HB2 ARG 615 2HB ARG 615 -0.026 -14.940 -4.796 658 HB3 ARG 615 3HB ARG 615 -1.108 -14.915 -6.191 659 HG2 ARG 615 2HG ARG 615 0.852 -15.508 -7.650 660 HG3 ARG 615 3HG ARG 615 1.804 -15.817 -6.199 661 HD2 ARG 615 2HD ARG 615 -0.801 -17.235 -6.901 662 HD3 ARG 615 3HD ARG 615 0.809 -17.812 -7.344 663 HE ARG 615 HE ARG 615 0.512 -17.320 -4.482 664 HH11 ARG 615 1HH1 ARG 615 0.116 -19.814 -6.952 665 HH12 ARG 615 2HH1 ARG 615 0.404 -21.087 -5.783 666 HH21 ARG 615 1HH2 ARG 615 0.711 -19.052 -3.070 667 HH22 ARG 615 2HH2 ARG 615 0.935 -20.643 -3.715 668 H GLY 616 H GLY 616 -1.667 -12.737 -7.527 669 HA2 GLY 616 2HA GLY 616 -2.470 -10.338 -5.926 670 HA3 GLY 616 3HA GLY 616 -2.552 -10.494 -7.677 671 H ARG 617 H ARG 617 -4.611 -10.195 -8.011 672 HA ARG 617 HA ARG 617 -6.859 -10.373 -8.171 673 HB2 ARG 617 2HB ARG 617 -6.482 -13.274 -7.318 674 HB3 ARG 617 3HB ARG 617 -7.973 -12.600 -7.954 675 HG2 ARG 617 2HG ARG 617 -5.370 -12.789 -9.504 676 HG3 ARG 617 3HG ARG 617 -6.730 -13.896 -9.626 677 HD2 ARG 617 2HD ARG 617 -7.744 -11.214 -9.977 678 HD3 ARG 617 3HD ARG 617 -6.319 -11.395 -10.986 679 HE ARG 617 HE ARG 617 -7.383 -13.092 -12.262 680 HH11 ARG 617 1HH1 ARG 617 -9.722 -11.630 -9.987 681 HH12 ARG 617 2HH1 ARG 617 -10.975 -12.698 -10.612 682 HH21 ARG 617 1HH2 ARG 617 -9.229 -13.975 -13.166 683 HH22 ARG 617 2HH2 ARG 617 -10.731 -13.871 -12.258 684 H ARG 618 H ARG 618 -5.671 -9.439 -5.682 685 HA ARG 618 HA ARG 618 -7.256 -10.566 -3.522 686 HB2 ARG 618 2HB ARG 618 -4.868 -9.709 -3.376 687 HB3 ARG 618 3HB ARG 618 -5.543 -8.073 -3.400 688 HG2 ARG 618 2HG ARG 618 -6.947 -8.760 -1.371 689 HG3 ARG 618 3HG ARG 618 -5.998 -10.248 -1.311 690 HD2 ARG 618 2HD ARG 618 -4.786 -7.458 -1.214 691 HD3 ARG 618 3HD ARG 618 -5.282 -8.338 0.212 692 HE ARG 618 HE ARG 618 -3.179 -9.333 -1.706 693 HH11 ARG 618 1HH1 ARG 618 -4.448 -9.448 1.576 694 HH12 ARG 618 2HH1 ARG 618 -2.902 -9.924 2.232 695 HH21 ARG 618 1HH2 ARG 618 -1.319 -10.136 -0.813 696 HH22 ARG 618 2HH2 ARG 618 -1.201 -10.316 0.919 697 H THR 619 H THR 619 -9.081 -9.944 -2.650 698 HA THR 619 HA THR 619 -9.865 -7.113 -2.682 699 HB THR 619 HB THR 619 -11.115 -8.023 -4.557 700 HG1 THR 619 1HG THR 619 -13.056 -7.264 -3.951 701 HG21 THR 619 1HG2 THR 619 -12.470 -9.867 -2.548 702 HG22 THR 619 2HG2 THR 619 -11.443 -10.361 -3.915 703 HG23 THR 619 3HG2 THR 619 -12.996 -9.578 -4.220 704 H ALA 620 H ALA 620 -11.225 -6.528 -0.943 705 HA ALA 620 HA ALA 620 -11.703 -8.474 1.214 706 HB1 ALA 620 1HB ALA 620 -9.397 -7.684 1.615 707 HB2 ALA 620 2HB ALA 620 -9.953 -5.997 1.562 708 HB3 ALA 620 3HB ALA 620 -10.500 -7.074 2.863 709 H SER 621 H SER 621 -13.335 -7.895 2.590 710 HA SER 621 HA SER 621 -15.111 -5.710 1.733 711 HB2 SER 621 2HB SER 621 -15.717 -7.566 4.023 712 HB3 SER 621 3HB SER 621 -16.801 -6.755 2.893 713 HG SER 621 HG SER 621 -16.609 -9.006 2.486 714 H VAL 622 H VAL 622 -14.281 -3.735 2.407 715 HA VAL 622 HA VAL 622 -14.302 -3.232 5.313 716 HB VAL 622 HB VAL 622 -12.092 -3.988 5.137 717 HG11 VAL 622 1HG1 VAL 622 -10.388 -3.088 3.627 718 HG12 VAL 622 2HG1 VAL 622 -11.661 -3.948 2.769 719 HG13 VAL 622 3HG1 VAL 622 -11.649 -2.172 2.759 720 HG21 VAL 622 3HG2 VAL 622 -10.716 -2.147 5.792 721 HG22 VAL 622 1HG2 VAL 622 -11.819 -0.967 5.063 722 HG23 VAL 622 2HG2 VAL 622 -12.330 -1.938 6.471 723 H ARG 623 H ARG 623 -14.748 -1.231 5.948 724 HA ARG 623 HA ARG 623 -15.035 0.944 3.939 725 HB2 ARG 623 2HB ARG 623 -17.178 1.569 4.687 726 HB3 ARG 623 3HB ARG 623 -17.266 -0.127 4.274 727 HG2 ARG 623 2HG ARG 623 -16.908 0.782 7.165 728 HG3 ARG 623 3HG ARG 623 -18.474 0.800 6.368 729 HD2 ARG 623 2HD ARG 623 -18.362 -1.591 5.930 730 HD3 ARG 623 3HD ARG 623 -16.758 -1.687 6.664 731 HE ARG 623 HE ARG 623 -18.930 -0.597 8.356 732 HH11 ARG 623 1HH1 ARG 623 -17.509 -3.664 7.381 733 HH12 ARG 623 2HH1 ARG 623 -17.888 -4.387 8.931 734 HH21 ARG 623 1HH2 ARG 623 -19.493 -1.760 10.246 735 HH22 ARG 623 2HH2 ARG 623 -18.992 -3.443 10.334 736 H ALA 624 H ALA 624 -15.151 3.108 4.820 737 HA ALA 624 HA ALA 624 -13.299 3.421 7.060 738 HB1 ALA 624 1HB ALA 624 -13.411 5.750 6.587 739 HB2 ALA 624 2HB ALA 624 -13.349 4.894 5.045 740 HB3 ALA 624 3HB ALA 624 -14.894 5.555 5.623 741 H ASP 625 H ASP 625 -13.702 3.818 9.192 742 HA ASP 625 HA ASP 625 -16.416 3.527 10.286 743 HB2 ASP 625 2HB ASP 625 -14.102 2.794 11.307 744 HB3 ASP 625 3HB ASP 625 -13.899 4.454 11.717 745 H THR 626 H THR 626 -14.422 5.983 9.242 746 HA THR 626 HA THR 626 -15.723 8.363 10.424 747 HB THR 626 HB THR 626 -14.322 7.524 12.204 748 HG1 THR 626 1HG THR 626 -12.946 9.263 12.463 749 HG21 THR 626 1HG2 THR 626 -12.731 6.141 11.019 750 HG22 THR 626 2HG2 THR 626 -11.871 7.345 11.987 751 HG23 THR 626 3HG2 THR 626 -12.013 7.567 10.227 752 H TYR 627 H TYR 627 -14.140 10.377 9.571 753 HA TYR 627 HA TYR 627 -13.483 9.976 6.741 754 HB2 TYR 627 2HB TYR 627 -14.028 12.170 7.172 755 HB3 TYR 627 3HB TYR 627 -13.176 12.201 8.687 756 HD1 TYR 627 HD1 TYR 627 -10.637 12.261 8.705 757 HD2 TYR 627 HD2 TYR 627 -12.950 13.078 5.153 758 HE1 TYR 627 HE1 TYR 627 -8.631 13.248 7.634 759 HE2 TYR 627 HE2 TYR 627 -10.956 14.173 4.136 760 HH TYR 627 HH TYR 627 -8.705 14.649 4.338 761 H CYS 628 H CYS 628 -11.796 9.037 5.928 762 HA CYS 628 HA CYS 628 -9.322 8.672 7.520 763 HB2 CYS 628 2HB CYS 628 -10.879 6.629 7.621 764 HB3 CYS 628 3HB CYS 628 -10.578 6.441 5.876 765 HG CYS 628 HG CYS 628 -9.136 4.736 7.216 766 H ARG 629 H ARG 629 -7.617 9.261 6.500 767 HA ARG 629 HA ARG 629 -7.668 9.715 3.559 768 HB2 ARG 629 2HB ARG 629 -7.388 11.689 4.882 769 HB3 ARG 629 3HB ARG 629 -6.035 10.997 5.776 770 HG2 ARG 629 2HG ARG 629 -4.615 10.957 3.869 771 HG3 ARG 629 3HG ARG 629 -5.977 11.353 2.809 772 HD2 ARG 629 2HD ARG 629 -4.727 13.328 3.109 773 HD3 ARG 629 3HD ARG 629 -6.223 13.548 4.027 774 HE ARG 629 HE ARG 629 -3.439 13.138 5.041 775 HH11 ARG 629 1HH1 ARG 629 -6.765 14.032 5.960 776 HH12 ARG 629 2HH1 ARG 629 -6.211 14.423 7.578 777 HH21 ARG 629 1HH2 ARG 629 -2.951 13.875 7.203 778 HH22 ARG 629 2HH2 ARG 629 -4.325 14.249 8.215 779 H LEU 630 H LEU 630 -6.583 8.606 2.287 780 HA LEU 630 HA LEU 630 -4.618 6.560 3.208 781 HB2 LEU 630 2HB LEU 630 -6.588 6.332 0.896 782 HB3 LEU 630 3HB LEU 630 -5.493 5.091 1.483 783 HG LEU 630 HG LEU 630 -8.014 6.089 2.851 784 HD11 LEU 630 1HD1 LEU 630 -8.762 3.748 2.513 785 HD12 LEU 630 2HD1 LEU 630 -7.198 3.332 1.789 786 HD13 LEU 630 3HD1 LEU 630 -8.280 4.454 0.970 787 HD21 LEU 630 3HD2 LEU 630 -5.944 4.085 3.825 788 HD22 LEU 630 1HD2 LEU 630 -7.551 4.325 4.553 789 HD23 LEU 630 2HD2 LEU 630 -6.371 5.634 4.598 790 H TYR 631 H TYR 631 -3.408 5.689 1.288 791 HA TYR 631 HA TYR 631 -2.633 7.672 -0.805 792 HB2 TYR 631 2HB TYR 631 -1.080 6.381 1.350 793 HB3 TYR 631 3HB TYR 631 -0.336 6.249 -0.239 794 HD1 TYR 631 HD2 TYR 631 -0.321 8.494 -1.608 795 HD2 TYR 631 HD1 TYR 631 -0.288 8.133 2.664 796 HE1 TYR 631 HE2 TYR 631 0.736 10.784 -1.428 797 HE2 TYR 631 HE1 TYR 631 0.798 10.393 2.852 798 HH TYR 631 HH TYR 631 1.665 12.352 0.028 799 H SER 632 H SER 632 -1.902 6.666 -2.816 800 HA SER 632 HA SER 632 -1.806 3.753 -2.766 801 HB2 SER 632 2HB SER 632 -3.255 3.409 -4.637 802 HB3 SER 632 3HB SER 632 -4.099 4.477 -3.504 803 HG SER 632 HG SER 632 -4.355 5.689 -5.197 804 H LEU 633 H LEU 633 -0.536 2.680 -4.195 805 HA LEU 633 HA LEU 633 1.227 4.255 -5.995 806 HB2 LEU 633 2HB LEU 633 1.985 4.142 -3.516 807 HB3 LEU 633 3HB LEU 633 2.386 2.464 -3.826 808 HG LEU 633 HG LEU 633 3.499 4.791 -5.474 809 HD11 LEU 633 1HD1 LEU 633 4.733 3.449 -3.028 810 HD12 LEU 633 2HD1 LEU 633 4.074 5.099 -3.077 811 HD13 LEU 633 3HD1 LEU 633 5.497 4.693 -4.043 812 HD21 LEU 633 3HD2 LEU 633 3.881 2.674 -6.578 813 HD22 LEU 633 1HD2 LEU 633 4.435 1.915 -5.070 814 HD23 LEU 633 2HD2 LEU 633 5.396 3.178 -5.863 815 H SER 634 H SER 634 1.602 3.236 -7.812 816 HA SER 634 HA SER 634 0.677 0.563 -8.377 817 HB2 SER 634 2HB SER 634 0.373 2.300 -9.951 818 HB3 SER 634 3HB SER 634 2.096 2.717 -9.951 819 HG SER 634 HG SER 634 1.141 1.396 -11.707 820 H VAL 635 H VAL 635 1.720 -1.282 -8.917 821 HA VAL 635 HA VAL 635 4.473 -1.630 -7.996 822 HB VAL 635 HB VAL 635 4.317 -3.859 -8.361 823 HG11 VAL 635 1HG1 VAL 635 2.583 -3.063 -6.748 824 HG12 VAL 635 2HG1 VAL 635 1.367 -3.271 -8.037 825 HG13 VAL 635 3HG1 VAL 635 2.317 -4.668 -7.459 826 HG21 VAL 635 3HG2 VAL 635 2.764 -5.075 -9.765 827 HG22 VAL 635 1HG2 VAL 635 2.213 -3.528 -10.475 828 HG23 VAL 635 2HG2 VAL 635 3.915 -4.085 -10.646 829 H ASP 636 H ASP 636 3.028 -0.723 -11.070 830 HA ASP 636 HA ASP 636 5.280 -1.500 -12.737 831 HB2 ASP 636 2HB ASP 636 3.167 0.682 -13.021 832 HB3 ASP 636 3HB ASP 636 4.458 0.428 -14.180 833 H ASN 637 H ASN 637 4.405 1.466 -10.929 834 HA ASN 637 HA ASN 637 6.794 2.848 -11.759 835 HB2 ASN 637 2HB ASN 637 4.709 3.506 -9.637 836 HB3 ASN 637 3HB ASN 637 5.980 4.603 -10.191 837 HD21 ASN 637 HD21 ASN 637 6.049 4.796 -12.752 838 HD22 ASN 637 HD22 ASN 637 4.459 4.966 -13.512 839 H PHE 638 H PHE 638 6.205 0.699 -9.051 840 HA PHE 638 HA PHE 638 8.684 1.192 -7.627 841 HB2 PHE 638 2HB PHE 638 6.649 0.069 -6.738 842 HB3 PHE 638 3HB PHE 638 7.070 -1.324 -7.721 843 HD1 PHE 638 1HD PHE 638 9.710 -2.136 -7.365 844 HD2 PHE 638 2HD PHE 638 7.285 0.009 -4.520 845 HE1 PHE 638 1HE PHE 638 11.216 -2.851 -5.551 846 HE2 PHE 638 2HE PHE 638 8.788 -0.742 -2.693 847 HZ PHE 638 HZ PHE 638 10.769 -2.134 -3.204 848 H ASN 639 H ASN 639 7.618 -1.315 -10.008 849 HA ASN 639 HA ASN 639 10.198 -2.568 -10.209 850 HB2 ASN 639 2HB ASN 639 7.649 -2.633 -11.862 851 HB3 ASN 639 3HB ASN 639 9.080 -3.509 -12.363 852 HD21 ASN 639 HD21 ASN 639 6.344 -3.676 -10.156 853 HD22 ASN 639 HD22 ASN 639 6.745 -5.357 -9.825 854 H GLU 640 H GLU 640 8.871 0.265 -11.792 855 HA GLU 640 HA GLU 640 10.842 0.613 -13.846 856 HB2 GLU 640 2HB GLU 640 8.899 2.347 -12.320 857 HB3 GLU 640 3HB GLU 640 10.108 3.152 -13.245 858 HG2 GLU 640 2HG GLU 640 8.073 1.154 -14.365 859 HG3 GLU 640 3HG GLU 640 7.877 2.894 -14.358 860 H VAL 641 H VAL 641 10.609 2.098 -10.575 861 HA VAL 641 HA VAL 641 13.069 3.563 -10.823 862 HB VAL 641 HB VAL 641 11.280 4.332 -9.473 863 HG11 VAL 641 1HG1 VAL 641 10.304 2.272 -8.727 864 HG12 VAL 641 2HG1 VAL 641 11.665 1.959 -7.630 865 HG13 VAL 641 3HG1 VAL 641 10.595 3.357 -7.374 866 HG21 VAL 641 3HG2 VAL 641 13.540 5.023 -8.700 867 HG22 VAL 641 1HG2 VAL 641 12.367 4.911 -7.357 868 HG23 VAL 641 2HG2 VAL 641 13.560 3.638 -7.579 869 H LEU 642 H LEU 642 12.414 0.335 -9.605 870 HA LEU 642 HA LEU 642 14.922 -0.160 -8.376 871 HB2 LEU 642 2HB LEU 642 12.643 -1.713 -9.107 872 HB3 LEU 642 3HB LEU 642 14.011 -2.484 -9.892 873 HG LEU 642 HG LEU 642 13.688 -1.922 -6.919 874 HD11 LEU 642 1HD1 LEU 642 13.928 -4.550 -8.447 875 HD12 LEU 642 2HD1 LEU 642 12.410 -3.875 -7.812 876 HD13 LEU 642 3HD1 LEU 642 13.706 -4.371 -6.701 877 HD21 LEU 642 3HD2 LEU 642 16.099 -1.740 -7.473 878 HD22 LEU 642 1HD2 LEU 642 16.018 -3.290 -8.331 879 HD23 LEU 642 2HD2 LEU 642 15.735 -3.220 -6.579 880 H GLU 643 H GLU 643 14.301 0.300 -11.838 881 HA GLU 643 HA GLU 643 16.700 -0.982 -12.777 882 HB2 GLU 643 2HB GLU 643 15.073 1.268 -13.981 883 HB3 GLU 643 3HB GLU 643 16.155 0.209 -14.849 884 HG2 GLU 643 2HG GLU 643 13.761 -0.965 -13.351 885 HG3 GLU 643 3HG GLU 643 13.529 -0.139 -14.836 886 H GLU 644 H GLU 644 16.301 2.090 -11.047 887 HA GLU 644 HA GLU 644 18.802 3.217 -12.091 888 HB2 GLU 644 2HB GLU 644 16.808 3.975 -9.966 889 HB3 GLU 644 3HB GLU 644 18.199 4.945 -10.410 890 HG2 GLU 644 2HG GLU 644 16.200 4.014 -12.545 891 HG3 GLU 644 3HG GLU 644 15.825 5.304 -11.475 892 H TYR 645 H TYR 645 17.927 1.074 -9.640 893 HA TYR 645 HA TYR 645 20.458 1.381 -8.072 894 HB2 TYR 645 2HB TYR 645 17.665 0.770 -7.040 895 HB3 TYR 645 3HB TYR 645 19.138 0.775 -6.075 896 HD1 TYR 645 HD2 TYR 645 16.764 2.886 -7.970 897 HD2 TYR 645 HD1 TYR 645 20.152 2.838 -5.306 898 HE1 TYR 645 HE2 TYR 645 16.553 5.332 -7.684 899 HE2 TYR 645 HE1 TYR 645 19.909 5.273 -4.946 900 HH TYR 645 HH TYR 645 18.898 7.171 -5.634 901 HA PRO 646 HA PRO 646 19.993 -2.975 -9.826 902 HB2 PRO 646 2HB PRO 646 22.705 -3.384 -10.318 903 HB3 PRO 646 3HB PRO 646 21.528 -2.701 -11.478 904 HG2 PRO 646 2HG PRO 646 23.405 -1.197 -9.628 905 HG3 PRO 646 3HG PRO 646 23.121 -0.928 -11.381 906 HD2 PRO 646 2HD PRO 646 21.870 0.604 -9.566 907 HD3 PRO 646 3HD PRO 646 20.957 -0.010 -10.971 908 H MET 647 H MET 647 22.013 -1.656 -7.176 909 HA MET 647 HA MET 647 22.647 -4.217 -6.014 910 HB2 MET 647 2HB MET 647 23.337 -3.001 -4.096 911 HB3 MET 647 3HB MET 647 23.755 -2.000 -5.498 912 HG2 MET 647 2HG MET 647 21.527 -0.838 -5.181 913 HG3 MET 647 3HG MET 647 21.344 -1.720 -3.675 914 HE1 MET 647 3HE MET 647 20.741 1.030 -3.634 915 HE2 MET 647 1HE MET 647 20.851 -0.017 -2.200 916 HE3 MET 647 2HE MET 647 21.600 1.604 -2.180 917 H MET 648 H MET 648 19.711 -2.240 -5.970 918 HA MET 648 HA MET 648 18.635 -3.430 -3.545 919 HB2 MET 648 2HB MET 648 17.566 -1.493 -5.600 920 HB3 MET 648 3HB MET 648 16.492 -2.213 -4.417 921 HG2 MET 648 2HG MET 648 18.971 -0.585 -3.797 922 HG3 MET 648 3HG MET 648 17.311 -0.012 -3.722 923 HE1 MET 648 3HE MET 648 15.464 -1.075 -2.007 924 HE2 MET 648 1HE MET 648 15.934 -2.770 -2.282 925 HE3 MET 648 2HE MET 648 15.896 -2.123 -0.634 926 H ARG 649 H ARG 649 18.520 -4.303 -6.930 927 HA ARG 649 HA ARG 649 16.352 -6.223 -6.783 928 HB2 ARG 649 2HB ARG 649 17.130 -5.642 -8.930 929 HB3 ARG 649 3HB ARG 649 18.814 -5.879 -8.517 930 HG2 ARG 649 2HG ARG 649 17.866 -7.580 -10.079 931 HG3 ARG 649 3HG ARG 649 18.676 -8.232 -8.662 932 HD2 ARG 649 2HD ARG 649 16.647 -9.489 -9.213 933 HD3 ARG 649 3HD ARG 649 16.595 -8.782 -7.606 934 HE ARG 649 HE ARG 649 15.341 -7.052 -9.614 935 HH11 ARG 649 1HH1 ARG 649 14.529 -9.970 -7.666 936 HH12 ARG 649 2HH1 ARG 649 12.844 -9.492 -7.743 937 HH21 ARG 649 1HH2 ARG 649 13.090 -6.726 -9.596 938 HH22 ARG 649 2HH2 ARG 649 12.134 -7.914 -8.749 939 H ARG 650 H ARG 650 19.865 -6.637 -6.339 940 HA ARG 650 HA ARG 650 19.765 -9.301 -5.429 941 HB2 ARG 650 2HB ARG 650 21.797 -7.977 -6.134 942 HB3 ARG 650 3HB ARG 650 21.750 -7.078 -4.635 943 HG2 ARG 650 2HG ARG 650 22.170 -10.058 -4.837 944 HG3 ARG 650 3HG ARG 650 23.461 -8.852 -4.802 945 HD2 ARG 650 2HD ARG 650 22.512 -8.129 -2.530 946 HD3 ARG 650 3HD ARG 650 21.613 -9.642 -2.540 947 HE ARG 650 HE ARG 650 24.568 -9.305 -2.378 948 HH11 ARG 650 1HH1 ARG 650 22.044 -11.747 -2.456 949 HH12 ARG 650 2HH1 ARG 650 22.803 -12.695 -1.207 950 HH21 ARG 650 1HH2 ARG 650 25.662 -10.765 -1.179 951 HH22 ARG 650 2HH2 ARG 650 24.906 -12.277 -0.705 952 H ALA 651 H ALA 651 19.684 -6.337 -3.570 953 HA ALA 651 HA ALA 651 19.420 -7.268 -0.942 954 HB1 ALA 651 1HB ALA 651 17.909 -4.878 -2.053 955 HB2 ALA 651 2HB ALA 651 18.525 -5.099 -0.413 956 HB3 ALA 651 3HB ALA 651 19.666 -4.847 -1.744 957 H PHE 652 H PHE 652 16.903 -7.425 -3.421 958 HA PHE 652 HA PHE 652 14.927 -8.481 -1.453 959 HB2 PHE 652 2HB PHE 652 14.882 -7.566 -4.336 960 HB3 PHE 652 3HB PHE 652 13.661 -8.707 -3.786 961 HD1 PHE 652 2HD PHE 652 12.392 -8.010 -1.524 962 HD2 PHE 652 1HD PHE 652 14.327 -5.297 -4.258 963 HE1 PHE 652 2HE PHE 652 10.876 -6.191 -0.798 964 HE2 PHE 652 1HE PHE 652 12.796 -3.485 -3.545 965 HZ PHE 652 HZ PHE 652 11.018 -3.934 -1.853 966 H GLU 653 H GLU 653 17.041 -9.638 -4.135 967 HA GLU 653 HA GLU 653 16.026 -12.325 -4.136 968 HB2 GLU 653 2HB GLU 653 18.805 -11.277 -4.824 969 HB3 GLU 653 3HB GLU 653 18.245 -12.909 -5.161 970 HG2 GLU 653 2HG GLU 653 17.078 -10.357 -6.298 971 HG3 GLU 653 3HG GLU 653 18.117 -11.485 -7.159 972 H THR 654 H THR 654 18.220 -10.754 -1.921 973 HA THR 654 HA THR 654 19.416 -13.159 -0.811 974 HB THR 654 HB THR 654 20.494 -10.942 -0.871 975 HG1 THR 654 1HG THR 654 21.317 -11.080 1.268 976 HG21 THR 654 1HG2 THR 654 18.718 -10.213 1.472 977 HG22 THR 654 2HG2 THR 654 18.520 -9.601 -0.183 978 HG23 THR 654 3HG2 THR 654 19.998 -9.229 0.719 979 H VAL 655 H VAL 655 16.509 -11.520 -0.261 980 HA VAL 655 HA VAL 655 15.978 -12.798 2.380 981 HB VAL 655 HB VAL 655 15.746 -10.392 2.269 982 HG11 VAL 655 1HG1 VAL 655 13.979 -9.256 1.102 983 HG12 VAL 655 2HG1 VAL 655 15.262 -9.935 0.094 984 HG13 VAL 655 3HG1 VAL 655 13.653 -10.739 0.177 985 HG21 VAL 655 3HG2 VAL 655 14.273 -11.744 3.804 986 HG22 VAL 655 1HG2 VAL 655 13.625 -10.154 3.362 987 HG23 VAL 655 2HG2 VAL 655 12.989 -11.611 2.582 988 H ALA 656 H ALA 656 14.816 -12.628 -0.923 989 HA ALA 656 HA ALA 656 12.389 -13.838 -0.978 990 HB1 ALA 656 1HB ALA 656 14.741 -14.528 -2.804 991 HB2 ALA 656 2HB ALA 656 13.022 -14.702 -3.195 992 HB3 ALA 656 3HB ALA 656 13.715 -13.092 -2.962 993 H ILE 657 H ILE 657 15.441 -15.661 -0.617 994 HA ILE 657 HA ILE 657 14.155 -18.233 -0.772 995 HB ILE 657 HB ILE 657 16.229 -19.189 -0.506 996 HG12 ILE 657 2HG1 ILE 657 17.153 -18.408 1.449 997 HG13 ILE 657 3HG1 ILE 657 18.320 -18.287 0.137 998 HG21 ILE 657 1HG2 ILE 657 15.907 -18.017 -2.639 999 HG22 ILE 657 2HG2 ILE 657 16.792 -16.616 -2.006 1000 HG23 ILE 657 3HG2 ILE 657 17.616 -18.167 -2.206 1001 HD11 ILE 657 3HD1 ILE 657 16.646 -16.039 1.245 1002 HD12 ILE 657 1HD1 ILE 657 18.377 -16.309 1.540 1003 HD13 ILE 657 2HD1 ILE 657 17.801 -15.907 -0.104 1004 H ASP 658 H ASP 658 14.345 -16.098 1.834 1005 HA ASP 658 HA ASP 658 14.010 -18.260 3.891 1006 HB2 ASP 658 2HB ASP 658 15.980 -16.813 4.176 1007 HB3 ASP 658 3HB ASP 658 14.959 -15.376 4.115 1008 H ARG 659 H ARG 659 12.578 -15.386 2.492 1009 HA ARG 659 HA ARG 659 10.949 -14.461 4.517 1010 HB2 ARG 659 2HB ARG 659 11.698 -13.436 2.353 1011 HB3 ARG 659 3HB ARG 659 10.457 -14.350 1.520 1012 HG2 ARG 659 2HG ARG 659 8.740 -13.109 2.898 1013 HG3 ARG 659 3HG ARG 659 10.073 -12.177 3.619 1014 HD2 ARG 659 2HD ARG 659 10.757 -11.340 1.435 1015 HD3 ARG 659 3HD ARG 659 9.557 -12.351 0.612 1016 HE ARG 659 HE ARG 659 9.133 -9.791 1.892 1017 HH11 ARG 659 1HH1 ARG 659 7.388 -12.748 1.011 1018 HH12 ARG 659 2HH1 ARG 659 5.845 -11.961 1.242 1019 HH21 ARG 659 1HH2 ARG 659 7.110 -8.969 2.234 1020 HH22 ARG 659 2HH2 ARG 659 5.698 -9.805 1.632 1021 H LEU 660 H LEU 660 10.148 -17.197 2.483 1022 HA LEU 660 HA LEU 660 7.455 -17.130 2.285 1023 HB2 LEU 660 2HB LEU 660 9.106 -18.752 1.328 1024 HB3 LEU 660 3HB LEU 660 9.041 -19.674 2.819 1025 HG LEU 660 HG LEU 660 6.638 -19.152 1.009 1026 HD11 LEU 660 1HD1 LEU 660 8.435 -21.606 1.215 1027 HD12 LEU 660 2HD1 LEU 660 8.414 -20.441 -0.130 1028 HD13 LEU 660 3HD1 LEU 660 6.990 -21.438 0.188 1029 HD21 LEU 660 3HD2 LEU 660 5.715 -21.203 2.151 1030 HD22 LEU 660 1HD2 LEU 660 5.831 -19.813 3.208 1031 HD23 LEU 660 2HD2 LEU 660 7.049 -21.109 3.316 1032 H ASP 661 H ASP 661 8.989 -18.894 5.033 1033 HA ASP 661 HA ASP 661 6.401 -19.247 6.329 1034 HB2 ASP 661 2HB ASP 661 8.387 -20.877 6.081 1035 HB3 ASP 661 3HB ASP 661 9.141 -19.947 7.384 1036 H ARG 662 H ARG 662 8.268 -16.570 6.330 1037 HA ARG 662 HA ARG 662 8.690 -16.092 9.182 1038 HB2 ARG 662 2HB ARG 662 9.001 -14.259 6.788 1039 HB3 ARG 662 3HB ARG 662 9.622 -13.941 8.407 1040 HG2 ARG 662 2HG ARG 662 10.470 -16.211 6.578 1041 HG3 ARG 662 3HG ARG 662 11.357 -14.720 6.823 1042 HD2 ARG 662 2HD ARG 662 10.838 -16.863 8.917 1043 HD3 ARG 662 3HD ARG 662 12.342 -16.591 8.048 1044 HE ARG 662 HE ARG 662 11.116 -14.744 10.076 1045 HH11 ARG 662 1HH1 ARG 662 14.089 -15.651 8.385 1046 HH12 ARG 662 2HH1 ARG 662 15.047 -15.284 9.810 1047 HH21 ARG 662 1HH2 ARG 662 12.469 -13.641 11.379 1048 HH22 ARG 662 2HH2 ARG 662 14.191 -13.943 11.348 1049 H ILE 663 H ILE 663 6.274 -15.057 6.939 1050 HA ILE 663 HA ILE 663 4.168 -14.294 7.198 1051 HB ILE 663 HB ILE 663 4.664 -16.424 9.252 1052 HG12 ILE 663 2HG1 ILE 663 5.127 -16.877 6.802 1053 HG13 ILE 663 3HG1 ILE 663 4.047 -17.979 7.623 1054 HG21 ILE 663 1HG2 ILE 663 2.286 -17.033 9.147 1055 HG22 ILE 663 2HG2 ILE 663 2.565 -15.498 9.968 1056 HG23 ILE 663 3HG2 ILE 663 1.928 -15.512 8.315 1057 HD11 ILE 663 3HD1 ILE 663 3.067 -15.702 5.883 1058 HD12 ILE 663 1HD1 ILE 663 3.361 -17.352 5.297 1059 HD13 ILE 663 2HD1 ILE 663 2.124 -17.062 6.533 1060 H GLY 664 H GLY 664 2.575 -13.067 7.954 1061 HA2 GLY 664 2HA GLY 664 3.282 -10.973 9.817 1062 HA3 GLY 664 3HA GLY 664 1.782 -11.144 8.907 1063 H LYS 665 H LYS 665 2.795 -13.751 11.018 1064 HA LYS 665 HA LYS 665 0.313 -13.617 12.514 1065 HB2 LYS 665 2HB LYS 665 1.048 -15.669 13.580 1066 HB3 LYS 665 3HB LYS 665 1.198 -15.751 11.828 1067 HG2 LYS 665 2HG LYS 665 3.712 -15.172 12.212 1068 HG3 LYS 665 3HG LYS 665 3.401 -15.542 13.911 1069 HD2 LYS 665 2HD LYS 665 3.100 -17.407 11.518 1070 HD3 LYS 665 3HD LYS 665 4.336 -17.484 12.775 1071 HE2 LYS 665 2HE LYS 665 2.609 -18.033 14.463 1072 HE3 LYS 665 3HE LYS 665 1.345 -17.903 13.229 1073 HZ1 LYS 665 3HZ LYS 665 1.969 -20.195 13.533 1074 HZ2 LYS 665 1HZ LYS 665 3.557 -19.881 13.225 1075 HZ3 LYS 665 2HZ LYS 665 2.437 -19.743 12.035 1076 H LYS 666 H LYS 666 -0.137 -12.946 14.460 1077 HA LYS 666 HA LYS 666 1.985 -11.948 16.324 1078 HB2 LYS 666 2HB LYS 666 -0.284 -10.418 15.030 1079 HB3 LYS 666 3HB LYS 666 0.204 -10.015 16.666 1080 HG2 LYS 666 2HG LYS 666 2.555 -9.678 15.892 1081 HG3 LYS 666 3HG LYS 666 2.034 -10.026 14.239 1082 HD2 LYS 666 2HD LYS 666 2.227 -7.626 14.560 1083 HD3 LYS 666 3HD LYS 666 0.532 -8.059 14.286 1084 HE2 LYS 666 2HE LYS 666 0.086 -7.907 16.714 1085 HE3 LYS 666 3HE LYS 666 1.785 -7.562 17.031 1086 HZ1 LYS 666 3HZ LYS 666 0.131 -5.811 15.305 1087 HZ2 LYS 666 1HZ LYS 666 1.581 -5.451 16.015 1088 HZ3 LYS 666 2HZ LYS 666 0.267 -5.580 16.934 1089 H ASN 667 H ASN 667 1.143 -11.442 18.450 1090 HA ASN 667 HA ASN 667 -0.488 -13.569 19.544 1091 HB2 ASN 667 2HB ASN 667 1.453 -12.394 20.635 1092 HB3 ASN 667 3HB ASN 667 0.467 -10.944 20.764 1093 HD21 ASN 667 HD21 ASN 667 -0.649 -10.702 22.609 1094 HD22 ASN 667 HD22 ASN 667 -0.886 -11.971 23.807 1095 H SER 668 H SER 668 -1.229 -10.448 18.173 1096 HA SER 668 HA SER 668 -4.035 -10.356 19.046 1097 HB2 SER 668 2HB SER 668 -4.088 -8.382 17.550 1098 HB3 SER 668 3HB SER 668 -2.871 -8.270 18.833 1099 HG SER 668 HG SER 668 -2.286 -7.685 16.572 1100 H ILE 669 H ILE 669 -2.307 -11.194 15.992 1101 HA ILE 669 HA ILE 669 -4.919 -11.944 14.777 1102 HB ILE 669 HB ILE 669 -4.417 -10.573 12.793 1103 HG12 ILE 669 2HG1 ILE 669 -2.246 -9.258 14.462 1104 HG13 ILE 669 3HG1 ILE 669 -1.927 -10.397 13.150 1105 HG21 ILE 669 1HG2 ILE 669 -5.147 -8.446 13.737 1106 HG22 ILE 669 2HG2 ILE 669 -5.936 -9.779 14.569 1107 HG23 ILE 669 3HG2 ILE 669 -4.594 -8.930 15.358 1108 HD11 ILE 669 3HD1 ILE 669 -3.198 -7.650 12.876 1109 HD12 ILE 669 1HD1 ILE 669 -1.610 -8.181 12.305 1110 HD13 ILE 669 2HD1 ILE 669 -3.076 -8.845 11.559 1111 H LEU 670 H LEU 670 -4.940 -12.997 12.891 1112 HA LEU 670 HA LEU 670 -2.547 -14.221 11.680 1113 HB2 LEU 670 2HB LEU 670 -5.017 -15.749 12.602 1114 HB3 LEU 670 3HB LEU 670 -3.772 -16.417 11.557 1115 HG LEU 670 HG LEU 670 -3.324 -15.532 14.439 1116 HD11 LEU 670 1HD1 LEU 670 -4.817 -17.472 14.277 1117 HD12 LEU 670 2HD1 LEU 670 -3.232 -17.933 14.931 1118 HD13 LEU 670 3HD1 LEU 670 -3.636 -18.311 13.236 1119 HD21 LEU 670 3HD2 LEU 670 -1.206 -16.794 14.222 1120 HD22 LEU 670 1HD2 LEU 670 -1.273 -15.431 13.094 1121 HD23 LEU 670 2HD2 LEU 670 -1.551 -17.083 12.496 1122 H LEU 671 H LEU 671 -3.182 -15.169 9.477 1123 HA LEU 671 HA LEU 671 -5.760 -14.247 8.439 1124 HB2 LEU 671 2HB LEU 671 -4.228 -12.285 8.244 1125 HB3 LEU 671 3HB LEU 671 -3.196 -13.220 7.167 1126 HG LEU 671 HG LEU 671 -5.024 -13.359 5.501 1127 HD11 LEU 671 1HD1 LEU 671 -6.645 -11.939 7.642 1128 HD12 LEU 671 2HD1 LEU 671 -7.048 -13.447 6.779 1129 HD13 LEU 671 3HD1 LEU 671 -7.087 -11.892 5.928 1130 HD21 LEU 671 3HD2 LEU 671 -5.121 -11.003 4.893 1131 HD22 LEU 671 1HD2 LEU 671 -3.520 -11.380 5.543 1132 HD23 LEU 671 2HD2 LEU 671 -4.705 -10.517 6.547 1133 H HIS 672 H HIS 672 -6.006 -16.497 8.427 1134 HA HIS 672 HA HIS 672 -6.496 -18.395 7.216 1135 HB2 HIS 672 2HB HIS 672 -7.957 -16.454 6.719 1136 HB3 HIS 672 3HB HIS 672 -6.998 -16.105 5.304 1137 HD1 HIS 672 1HD HIS 672 -8.037 -17.023 3.178 1138 HD2 HIS 672 2HD HIS 672 -9.038 -19.226 6.607 1139 HE1 HIS 672 1HE HIS 672 -9.800 -18.743 2.432 Start of MODEL 8 1 H ASN 534 H ASN 534 4.180 14.942 5.311 2 HA ASN 534 HA ASN 534 5.028 12.873 6.592 3 HB2 ASN 534 2HB ASN 534 2.742 13.922 6.604 4 HB3 ASN 534 3HB ASN 534 2.261 12.817 5.326 5 HD21 ASN 534 HD21 ASN 534 0.742 12.806 7.499 6 HD22 ASN 534 HD22 ASN 534 1.086 11.417 8.534 7 H CYS 535 H CYS 535 3.778 12.242 3.261 8 HA CYS 535 HA CYS 535 3.982 9.467 3.216 9 HB2 CYS 535 2HB CYS 535 4.067 9.620 0.833 10 HB3 CYS 535 3HB CYS 535 2.982 10.869 1.458 11 HG CYS 535 HG CYS 535 4.625 12.866 1.273 12 H ARG 536 H ARG 536 6.742 11.725 2.933 13 HA ARG 536 HA ARG 536 8.631 9.756 2.024 14 HB2 ARG 536 2HB ARG 536 10.287 11.404 2.294 15 HB3 ARG 536 3HB ARG 536 8.822 12.270 1.836 16 HG2 ARG 536 2HG ARG 536 8.495 12.707 4.372 17 HG3 ARG 536 3HG ARG 536 10.145 12.131 4.582 18 HD2 ARG 536 2HD ARG 536 9.316 14.435 2.771 19 HD3 ARG 536 3HD ARG 536 9.902 14.620 4.430 20 HE ARG 536 HE ARG 536 11.833 13.110 2.973 21 HH11 ARG 536 1HH1 ARG 536 10.770 16.482 3.385 22 HH12 ARG 536 2HH1 ARG 536 12.407 17.018 3.102 23 HH21 ARG 536 1HH2 ARG 536 13.645 14.009 2.097 24 HH22 ARG 536 2HH2 ARG 536 13.872 15.734 2.153 25 H LYS 537 H LYS 537 7.597 10.537 5.281 26 HA LYS 537 HA LYS 537 9.472 8.521 6.385 27 HB2 LYS 537 2HB LYS 537 8.623 9.048 8.597 28 HB3 LYS 537 3HB LYS 537 9.570 10.280 7.814 29 HG2 LYS 537 2HG LYS 537 6.537 10.383 7.948 30 HG3 LYS 537 3HG LYS 537 7.572 10.987 9.233 31 HD2 LYS 537 2HD LYS 537 7.506 12.007 6.389 32 HD3 LYS 537 3HD LYS 537 6.827 12.806 7.801 33 HE2 LYS 537 2HE LYS 537 9.792 12.336 7.284 34 HE3 LYS 537 3HE LYS 537 8.907 13.838 7.007 35 HZ1 LYS 537 3HZ LYS 537 8.375 13.778 9.462 36 HZ2 LYS 537 1HZ LYS 537 9.939 14.065 9.074 37 HZ3 LYS 537 2HZ LYS 537 9.486 12.581 9.620 38 H LEU 538 H LEU 538 6.115 8.898 5.560 39 HA LEU 538 HA LEU 538 5.158 6.686 7.115 40 HB2 LEU 538 2HB LEU 538 3.873 8.720 6.253 41 HB3 LEU 538 3HB LEU 538 3.892 7.949 4.670 42 HG LEU 538 HG LEU 538 2.664 5.978 5.732 43 HD11 LEU 538 1HD1 LEU 538 2.374 7.986 8.012 44 HD12 LEU 538 2HD1 LEU 538 3.138 6.387 8.108 45 HD13 LEU 538 3HD1 LEU 538 1.394 6.523 7.821 46 HD21 LEU 538 3HD2 LEU 538 1.307 8.705 5.825 47 HD22 LEU 538 1HD2 LEU 538 0.503 7.124 5.659 48 HD23 LEU 538 2HD2 LEU 538 1.542 7.721 4.362 49 H VAL 539 H VAL 539 6.073 6.961 3.655 50 HA VAL 539 HA VAL 539 5.541 4.183 2.988 51 HB VAL 539 HB VAL 539 5.784 6.309 1.471 52 HG11 VAL 539 1HG1 VAL 539 7.874 6.369 0.225 53 HG12 VAL 539 2HG1 VAL 539 8.167 6.739 1.934 54 HG13 VAL 539 3HG1 VAL 539 8.582 5.126 1.254 55 HG21 VAL 539 3HG2 VAL 539 6.215 4.715 -0.424 56 HG22 VAL 539 1HG2 VAL 539 6.508 3.465 0.814 57 HG23 VAL 539 2HG2 VAL 539 4.930 4.243 0.703 58 H ALA 540 H ALA 540 8.455 5.925 4.047 59 HA ALA 540 HA ALA 540 10.256 3.747 3.914 60 HB1 ALA 540 1HB ALA 540 10.874 6.145 4.028 61 HB2 ALA 540 2HB ALA 540 10.257 6.223 5.698 62 HB3 ALA 540 3HB ALA 540 11.662 5.217 5.318 63 H SER 541 H SER 541 7.623 4.067 6.112 64 HA SER 541 HA SER 541 8.963 2.850 8.423 65 HB2 SER 541 2HB SER 541 6.376 4.221 7.938 66 HB3 SER 541 3HB SER 541 6.721 3.368 9.432 67 HG SER 541 HG SER 541 7.993 5.648 8.318 68 H MET 542 H MET 542 7.326 1.804 5.677 69 HA MET 542 HA MET 542 5.786 -0.380 6.737 70 HB2 MET 542 2HB MET 542 6.870 0.479 4.038 71 HB3 MET 542 3HB MET 542 6.115 -1.086 4.228 72 HG2 MET 542 2HG MET 542 4.024 -0.130 4.916 73 HG3 MET 542 3HG MET 542 4.742 1.467 5.087 74 HE1 MET 542 3HE MET 542 3.975 -0.536 0.979 75 HE2 MET 542 1HE MET 542 5.504 -0.811 1.833 76 HE3 MET 542 2HE MET 542 3.978 -1.380 2.540 77 HA PRO 543 HA PRO 543 9.139 -3.321 7.306 78 HB2 PRO 543 2HB PRO 543 7.832 -5.712 7.180 79 HB3 PRO 543 3HB PRO 543 7.590 -4.546 8.516 80 HG2 PRO 543 2HG PRO 543 5.859 -4.939 6.058 81 HG3 PRO 543 3HG PRO 543 5.343 -4.808 7.769 82 HD2 PRO 543 2HD PRO 543 5.308 -2.688 6.023 83 HD3 PRO 543 3HD PRO 543 5.638 -2.460 7.760 84 H LEU 544 H LEU 544 7.238 -3.298 4.441 85 HA LEU 544 HA LEU 544 8.925 -4.803 2.651 86 HB2 LEU 544 2HB LEU 544 6.512 -4.230 2.500 87 HB3 LEU 544 3HB LEU 544 6.906 -2.545 2.225 88 HG LEU 544 HG LEU 544 7.961 -4.688 0.359 89 HD11 LEU 544 1HD1 LEU 544 5.872 -4.402 -0.965 90 HD12 LEU 544 2HD1 LEU 544 5.205 -3.381 0.336 91 HD13 LEU 544 3HD1 LEU 544 5.545 -5.097 0.628 92 HD21 LEU 544 3HD2 LEU 544 7.742 -2.930 -1.326 93 HD22 LEU 544 1HD2 LEU 544 8.698 -2.287 0.015 94 HD23 LEU 544 2HD2 LEU 544 6.992 -1.833 -0.154 95 H PHE 545 H PHE 545 9.225 -1.699 4.158 96 HA PHE 545 HA PHE 545 11.462 -0.832 2.399 97 HB2 PHE 545 2HB PHE 545 9.422 0.719 4.027 98 HB3 PHE 545 3HB PHE 545 10.909 1.442 3.481 99 HD1 PHE 545 2HD PHE 545 7.912 -0.364 2.063 100 HD2 PHE 545 1HD PHE 545 11.027 2.533 1.478 101 HE1 PHE 545 2HE PHE 545 6.709 0.533 0.095 102 HE2 PHE 545 1HE PHE 545 9.877 3.367 -0.565 103 HZ PHE 545 HZ PHE 545 7.678 2.409 -1.208 104 H ALA 546 H ALA 546 11.386 -2.656 4.923 105 HA ALA 546 HA ALA 546 12.409 -1.512 7.275 106 HB1 ALA 546 1HB ALA 546 13.326 -3.822 7.563 107 HB2 ALA 546 2HB ALA 546 11.657 -3.852 6.937 108 HB3 ALA 546 3HB ALA 546 13.049 -4.119 5.835 109 H ASN 547 H ASN 547 14.022 -2.379 4.298 110 HA ASN 547 HA ASN 547 16.731 -1.703 5.347 111 HB2 ASN 547 2HB ASN 547 15.526 -4.061 4.100 112 HB3 ASN 547 3HB ASN 547 16.735 -3.425 3.035 113 HD21 ASN 547 HD21 ASN 547 16.265 -4.195 6.497 114 HD22 ASN 547 HD22 ASN 547 17.892 -4.826 6.639 115 H ALA 548 H ALA 548 14.412 -0.243 3.652 116 HA ALA 548 HA ALA 548 15.490 0.196 1.086 117 HB1 ALA 548 1HB ALA 548 13.093 0.616 1.809 118 HB2 ALA 548 2HB ALA 548 13.651 2.181 2.469 119 HB3 ALA 548 3HB ALA 548 13.820 1.837 0.750 120 H ASP 549 H ASP 549 16.938 1.496 0.179 121 HA ASP 549 HA ASP 549 18.634 3.291 1.654 122 HB2 ASP 549 2HB ASP 549 19.358 2.032 -0.330 123 HB3 ASP 549 3HB ASP 549 18.214 2.900 -1.340 124 HA PRO 550 HA PRO 550 15.733 6.649 1.853 125 HB2 PRO 550 2HB PRO 550 17.370 8.811 2.314 126 HB3 PRO 550 3HB PRO 550 17.023 7.538 3.523 127 HG2 PRO 550 2HG PRO 550 19.381 7.673 1.610 128 HG3 PRO 550 3HG PRO 550 19.432 7.472 3.399 129 HD2 PRO 550 2HD PRO 550 19.582 5.336 1.800 130 HD3 PRO 550 3HD PRO 550 18.514 5.262 3.236 131 H ASN 551 H ASN 551 18.004 6.439 -0.692 132 HA ASN 551 HA ASN 551 17.095 8.922 -2.081 133 HB2 ASN 551 2HB ASN 551 19.301 6.984 -2.881 134 HB3 ASN 551 3HB ASN 551 18.938 8.546 -3.600 135 HD21 ASN 551 HD21 ASN 551 20.325 6.903 -0.853 136 HD22 ASN 551 HD22 ASN 551 21.158 8.326 -0.187 137 H PHE 552 H PHE 552 17.091 5.408 -2.288 138 HA PHE 552 HA PHE 552 15.671 5.092 -4.800 139 HB2 PHE 552 2HB PHE 552 16.768 3.163 -4.027 140 HB3 PHE 552 3HB PHE 552 16.258 3.401 -2.373 141 HD1 PHE 552 2HD PHE 552 14.924 2.424 -5.732 142 HD2 PHE 552 1HD PHE 552 14.407 2.304 -1.465 143 HE1 PHE 552 2HE PHE 552 12.995 0.888 -6.013 144 HE2 PHE 552 1HE PHE 552 12.477 0.759 -1.739 145 HZ PHE 552 HZ PHE 552 11.764 0.060 -4.015 146 H VAL 553 H VAL 553 14.574 5.164 -1.362 147 HA VAL 553 HA VAL 553 11.821 4.941 -2.003 148 HB VAL 553 HB VAL 553 11.250 5.555 0.190 149 HG11 VAL 553 1HG1 VAL 553 13.989 4.259 0.305 150 HG12 VAL 553 2HG1 VAL 553 12.648 4.048 1.445 151 HG13 VAL 553 3HG1 VAL 553 12.497 3.419 -0.220 152 HG21 VAL 553 3HG2 VAL 553 12.962 6.256 1.877 153 HG22 VAL 553 1HG2 VAL 553 14.044 6.644 0.536 154 HG23 VAL 553 2HG2 VAL 553 12.521 7.552 0.737 155 H THR 554 H THR 554 13.868 7.755 -1.785 156 HA THR 554 HA THR 554 11.813 9.785 -1.941 157 HB THR 554 HB THR 554 14.814 9.935 -2.427 158 HG1 THR 554 1HG THR 554 14.588 9.655 -0.338 159 HG21 THR 554 1HG2 THR 554 13.765 11.796 -3.578 160 HG22 THR 554 2HG2 THR 554 14.437 12.399 -2.053 161 HG23 THR 554 3HG2 THR 554 12.683 12.091 -2.199 162 H ALA 555 H ALA 555 13.897 8.153 -4.392 163 HA ALA 555 HA ALA 555 13.171 9.860 -6.568 164 HB1 ALA 555 1HB ALA 555 15.139 8.373 -6.571 165 HB2 ALA 555 2HB ALA 555 14.084 6.943 -6.509 166 HB3 ALA 555 3HB ALA 555 14.075 7.995 -7.942 167 H MET 556 H MET 556 11.413 7.396 -4.899 168 HA MET 556 HA MET 556 9.562 6.725 -7.035 169 HB2 MET 556 2HB MET 556 10.331 5.407 -4.968 170 HB3 MET 556 3HB MET 556 9.137 6.340 -4.055 171 HG2 MET 556 2HG MET 556 7.350 5.509 -5.553 172 HG3 MET 556 3HG MET 556 8.540 4.613 -6.487 173 HE1 MET 556 3HE MET 556 10.412 3.080 -4.876 174 HE2 MET 556 1HE MET 556 10.165 3.784 -3.244 175 HE3 MET 556 2HE MET 556 9.779 2.080 -3.538 176 H LEU 557 H LEU 557 9.639 9.313 -4.659 177 HA LEU 557 HA LEU 557 6.768 9.546 -4.404 178 HB2 LEU 557 2HB LEU 557 8.808 11.573 -3.461 179 HB3 LEU 557 3HB LEU 557 7.213 11.235 -2.789 180 HG LEU 557 HG LEU 557 9.663 9.442 -2.673 181 HD11 LEU 557 1HD1 LEU 557 9.822 11.346 -1.200 182 HD12 LEU 557 2HD1 LEU 557 9.575 9.848 -0.262 183 HD13 LEU 557 3HD1 LEU 557 8.223 10.982 -0.505 184 HD21 LEU 557 3HD2 LEU 557 7.485 8.112 -2.717 185 HD22 LEU 557 1HD2 LEU 557 7.054 8.951 -1.199 186 HD23 LEU 557 2HD2 LEU 557 8.489 7.919 -1.284 187 H THR 558 H THR 558 8.826 10.776 -6.739 188 HA THR 558 HA THR 558 8.122 13.280 -7.561 189 HB THR 558 HB THR 558 8.277 12.428 -9.933 190 HG1 THR 558 1HG THR 558 8.081 10.412 -10.315 191 HG21 THR 558 1HG2 THR 558 10.406 11.310 -8.055 192 HG22 THR 558 2HG2 THR 558 10.327 12.985 -8.652 193 HG23 THR 558 3HG2 THR 558 10.585 11.650 -9.788 194 H LYS 559 H LYS 559 6.039 10.457 -8.209 195 HA LYS 559 HA LYS 559 3.846 12.270 -9.146 196 HB2 LYS 559 2HB LYS 559 3.017 10.452 -10.444 197 HB3 LYS 559 3HB LYS 559 4.717 10.659 -10.796 198 HG2 LYS 559 2HG LYS 559 5.239 8.571 -10.143 199 HG3 LYS 559 3HG LYS 559 4.393 8.710 -8.615 200 HD2 LYS 559 2HD LYS 559 3.052 8.060 -11.280 201 HD3 LYS 559 3HD LYS 559 3.536 6.872 -10.063 202 HE2 LYS 559 2HE LYS 559 2.000 7.951 -8.408 203 HE3 LYS 559 3HE LYS 559 1.490 9.101 -9.639 204 HZ1 LYS 559 3HZ LYS 559 1.107 6.165 -9.732 205 HZ2 LYS 559 1HZ LYS 559 0.725 7.143 -10.965 206 HZ3 LYS 559 2HZ LYS 559 -0.072 7.261 -9.516 207 H LEU 560 H LEU 560 4.488 11.143 -6.211 208 HA LEU 560 HA LEU 560 2.471 9.231 -5.737 209 HB2 LEU 560 2HB LEU 560 4.494 10.656 -4.169 210 HB3 LEU 560 3HB LEU 560 3.015 10.649 -3.283 211 HG LEU 560 HG LEU 560 4.684 8.285 -4.168 212 HD11 LEU 560 1HD1 LEU 560 4.767 7.861 -1.787 213 HD12 LEU 560 2HD1 LEU 560 3.504 9.074 -1.469 214 HD13 LEU 560 3HD1 LEU 560 5.097 9.591 -2.032 215 HD21 LEU 560 3HD2 LEU 560 2.945 6.841 -3.013 216 HD22 LEU 560 1HD2 LEU 560 2.480 7.421 -4.608 217 HD23 LEU 560 2HD2 LEU 560 1.816 8.197 -3.153 218 H LYS 561 H LYS 561 0.434 9.257 -4.922 219 HA LYS 561 HA LYS 561 -0.960 11.905 -4.783 220 HB2 LYS 561 2HB LYS 561 -1.094 10.410 -6.943 221 HB3 LYS 561 3HB LYS 561 -2.197 9.429 -5.996 222 HG2 LYS 561 2HG LYS 561 -3.756 10.813 -6.837 223 HG3 LYS 561 3HG LYS 561 -3.267 11.933 -5.572 224 HD2 LYS 561 2HD LYS 561 -2.311 11.890 -8.472 225 HD3 LYS 561 3HD LYS 561 -3.369 13.088 -7.726 226 HE2 LYS 561 2HE LYS 561 -1.506 13.801 -6.234 227 HE3 LYS 561 3HE LYS 561 -0.433 12.615 -7.009 228 HZ1 LYS 561 3HZ LYS 561 -0.188 14.830 -7.975 229 HZ2 LYS 561 1HZ LYS 561 -1.779 14.864 -8.390 230 HZ3 LYS 561 2HZ LYS 561 -0.755 13.753 -9.091 231 H PHE 562 H PHE 562 -2.525 12.186 -3.345 232 HA PHE 562 HA PHE 562 -3.142 9.938 -1.489 233 HB2 PHE 562 2HB PHE 562 -2.914 11.179 0.316 234 HB3 PHE 562 3HB PHE 562 -1.803 12.063 -0.688 235 HD1 PHE 562 1HD PHE 562 -5.238 12.045 0.738 236 HD2 PHE 562 2HD PHE 562 -2.170 14.401 -1.163 237 HE1 PHE 562 1HE PHE 562 -6.547 14.123 1.184 238 HE2 PHE 562 2HE PHE 562 -3.452 16.473 -0.668 239 HZ PHE 562 HZ PHE 562 -5.640 16.331 0.500 240 H GLU 563 H GLU 563 -5.211 9.847 -0.499 241 HA GLU 563 HA GLU 563 -7.463 11.017 -2.035 242 HB2 GLU 563 2HB GLU 563 -6.862 8.028 -1.807 243 HB3 GLU 563 3HB GLU 563 -8.429 8.694 -2.291 244 HG2 GLU 563 2HG GLU 563 -7.327 9.912 -4.154 245 HG3 GLU 563 3HG GLU 563 -5.793 9.112 -3.765 246 H VAL 564 H VAL 564 -9.544 10.560 -1.040 247 HA VAL 564 HA VAL 564 -9.453 9.830 1.846 248 HB VAL 564 HB VAL 564 -11.171 12.047 0.691 249 HG11 VAL 564 1HG1 VAL 564 -12.087 11.002 2.751 250 HG12 VAL 564 2HG1 VAL 564 -10.562 11.391 3.588 251 HG13 VAL 564 3HG1 VAL 564 -11.617 12.666 2.919 252 HG21 VAL 564 3HG2 VAL 564 -9.573 13.529 2.047 253 HG22 VAL 564 1HG2 VAL 564 -8.502 12.087 2.103 254 HG23 VAL 564 2HG2 VAL 564 -8.917 12.832 0.548 255 H PHE 565 H PHE 565 -11.058 8.691 2.637 256 HA PHE 565 HA PHE 565 -13.484 8.161 0.967 257 HB2 PHE 565 2HB PHE 565 -11.987 6.196 2.712 258 HB3 PHE 565 3HB PHE 565 -13.629 5.948 2.140 259 HD1 PHE 565 2HD PHE 565 -10.086 6.368 1.009 260 HD2 PHE 565 1HD PHE 565 -14.097 5.234 -0.110 261 HE1 PHE 565 2HE PHE 565 -9.220 5.333 -1.084 262 HE2 PHE 565 1HE PHE 565 -13.222 4.199 -2.188 263 HZ PHE 565 HZ PHE 565 -10.774 4.193 -2.639 264 H GLN 566 H GLN 566 -15.425 8.325 1.977 265 HA GLN 566 HA GLN 566 -15.511 9.740 4.577 266 HB2 GLN 566 2HB GLN 566 -17.677 8.946 2.606 267 HB3 GLN 566 3HB GLN 566 -17.908 10.027 3.980 268 HG2 GLN 566 2HG GLN 566 -16.477 10.465 1.371 269 HG3 GLN 566 3HG GLN 566 -17.881 11.318 2.011 270 HE21 GLN 566 HE21 GLN 566 -14.669 11.731 1.451 271 HE22 GLN 566 HE22 GLN 566 -14.407 12.875 2.775 272 HA PRO 567 HA PRO 567 -16.655 6.402 7.166 273 HB2 PRO 567 2HB PRO 567 -19.348 7.558 7.809 274 HB3 PRO 567 3HB PRO 567 -18.037 7.065 8.916 275 HG2 PRO 567 2HG PRO 567 -18.565 9.692 8.366 276 HG3 PRO 567 3HG PRO 567 -16.898 9.106 8.590 277 HD2 PRO 567 2HD PRO 567 -18.362 9.686 6.042 278 HD3 PRO 567 3HD PRO 567 -16.655 10.027 6.460 279 H GLY 568 H GLY 568 -17.270 4.372 6.627 280 HA2 GLY 568 2HA GLY 568 -18.855 2.670 6.451 281 HA3 GLY 568 3HA GLY 568 -20.021 3.785 5.725 282 H ASP 569 H ASP 569 -17.113 4.414 4.189 283 HA ASP 569 HA ASP 569 -18.165 3.137 1.844 284 HB2 ASP 569 2HB ASP 569 -17.517 5.608 2.170 285 HB3 ASP 569 3HB ASP 569 -15.853 5.086 1.949 286 H TYR 570 H TYR 570 -17.263 1.492 0.724 287 HA TYR 570 HA TYR 570 -15.015 0.013 1.843 288 HB2 TYR 570 2HB TYR 570 -16.748 -0.447 -0.578 289 HB3 TYR 570 3HB TYR 570 -15.382 -1.462 -0.163 290 HD1 TYR 570 HD2 TYR 570 -18.748 -0.356 0.990 291 HD2 TYR 570 HD1 TYR 570 -15.498 -3.123 1.562 292 HE1 TYR 570 HE2 TYR 570 -20.190 -1.744 2.474 293 HE2 TYR 570 HE1 TYR 570 -16.957 -4.528 3.027 294 HH TYR 570 HH TYR 570 -19.053 -4.819 3.918 295 H ILE 571 H ILE 571 -12.924 0.153 1.353 296 HA ILE 571 HA ILE 571 -12.117 2.266 -0.529 297 HB ILE 571 HB ILE 571 -9.943 2.077 0.523 298 HG12 ILE 571 2HG1 ILE 571 -11.039 0.123 2.584 299 HG13 ILE 571 3HG1 ILE 571 -10.326 -0.473 1.092 300 HG21 ILE 571 1HG2 ILE 571 -10.515 2.873 2.758 301 HG22 ILE 571 2HG2 ILE 571 -11.643 3.529 1.562 302 HG23 ILE 571 3HG2 ILE 571 -12.159 2.211 2.618 303 HD11 ILE 571 3HD1 ILE 571 -8.648 -0.444 2.748 304 HD12 ILE 571 1HD1 ILE 571 -8.282 0.736 1.465 305 HD13 ILE 571 2HD1 ILE 571 -8.898 1.296 3.048 306 H ILE 572 H ILE 572 -12.049 -1.186 -0.481 307 HA ILE 572 HA ILE 572 -10.287 -1.363 -2.862 308 HB ILE 572 HB ILE 572 -10.265 -2.868 -0.232 309 HG12 ILE 572 2HG1 ILE 572 -8.145 -1.488 -1.917 310 HG13 ILE 572 3HG1 ILE 572 -8.899 -0.798 -0.521 311 HG21 ILE 572 1HG2 ILE 572 -8.902 -3.788 -2.793 312 HG22 ILE 572 2HG2 ILE 572 -8.646 -4.463 -1.175 313 HG23 ILE 572 3HG2 ILE 572 -10.213 -4.641 -1.923 314 HD11 ILE 572 3HD1 ILE 572 -6.966 -3.119 -0.495 315 HD12 ILE 572 1HD1 ILE 572 -6.788 -1.509 0.218 316 HD13 ILE 572 2HD1 ILE 572 -7.959 -2.641 0.908 317 H ARG 573 H ARG 573 -10.899 -2.712 -4.434 318 HA ARG 573 HA ARG 573 -12.663 -5.008 -3.957 319 HB2 ARG 573 2HB ARG 573 -14.177 -3.019 -4.494 320 HB3 ARG 573 3HB ARG 573 -13.378 -2.900 -6.051 321 HG2 ARG 573 2HG ARG 573 -15.439 -4.014 -6.361 322 HG3 ARG 573 3HG ARG 573 -14.182 -5.242 -6.571 323 HD2 ARG 573 2HD ARG 573 -14.643 -6.134 -4.337 324 HD3 ARG 573 3HD ARG 573 -15.779 -4.810 -4.006 325 HE ARG 573 HE ARG 573 -16.698 -6.058 -6.346 326 HH11 ARG 573 1HH1 ARG 573 -16.314 -7.103 -2.949 327 HH12 ARG 573 2HH1 ARG 573 -17.632 -8.254 -3.155 328 HH21 ARG 573 1HH2 ARG 573 -18.290 -7.709 -6.377 329 HH22 ARG 573 2HH2 ARG 573 -18.622 -8.539 -4.873 330 H GLU 574 H GLU 574 -11.484 -6.617 -4.832 331 HA GLU 574 HA GLU 574 -9.389 -6.101 -6.811 332 HB2 GLU 574 2HB GLU 574 -10.216 -8.558 -5.230 333 HB3 GLU 574 3HB GLU 574 -9.003 -8.607 -6.484 334 HG2 GLU 574 2HG GLU 574 -7.521 -8.177 -4.914 335 HG3 GLU 574 3HG GLU 574 -7.995 -6.500 -5.125 336 H GLY 575 H GLY 575 -8.979 -7.910 -8.454 337 HA2 GLY 575 2HA GLY 575 -10.798 -9.441 -9.755 338 HA3 GLY 575 3HA GLY 575 -11.181 -7.855 -10.433 339 H THR 576 H THR 576 -7.884 -7.826 -9.853 340 HA THR 576 HA THR 576 -7.147 -8.909 -12.520 341 HB THR 576 HB THR 576 -7.886 -6.697 -13.001 342 HG1 THR 576 1HG THR 576 -5.928 -5.837 -13.818 343 HG21 THR 576 1HG2 THR 576 -6.807 -4.683 -12.125 344 HG22 THR 576 2HG2 THR 576 -5.707 -5.662 -11.130 345 HG23 THR 576 3HG2 THR 576 -7.450 -5.607 -10.768 346 H ILE 577 H ILE 577 -4.984 -9.069 -12.961 347 HA ILE 577 HA ILE 577 -3.202 -9.507 -10.654 348 HB ILE 577 HB ILE 577 -2.958 -10.092 -13.585 349 HG12 ILE 577 2HG1 ILE 577 -2.689 -11.995 -11.225 350 HG13 ILE 577 3HG1 ILE 577 -4.286 -11.480 -11.718 351 HG21 ILE 577 1HG2 ILE 577 -0.778 -11.197 -13.045 352 HG22 ILE 577 2HG2 ILE 577 -0.688 -9.455 -12.893 353 HG23 ILE 577 3HG2 ILE 577 -0.826 -10.438 -11.430 354 HD11 ILE 577 3HD1 ILE 577 -3.910 -12.237 -13.987 355 HD12 ILE 577 1HD1 ILE 577 -2.303 -12.864 -13.522 356 HD13 ILE 577 2HD1 ILE 577 -3.776 -13.553 -12.793 357 H GLY 578 H GLY 578 -1.585 -8.066 -10.036 358 HA2 GLY 578 2HA GLY 578 0.123 -6.517 -10.309 359 HA3 GLY 578 3HA GLY 578 -0.421 -6.174 -11.950 360 H LYS 579 H LYS 579 -2.586 -6.095 -9.159 361 HA LYS 579 HA LYS 579 -3.503 -3.437 -9.790 362 HB2 LYS 579 2HB LYS 579 -4.779 -5.487 -8.856 363 HB3 LYS 579 3HB LYS 579 -4.176 -4.954 -7.285 364 HG2 LYS 579 2HG LYS 579 -5.375 -2.787 -7.585 365 HG3 LYS 579 3HG LYS 579 -5.898 -3.284 -9.199 366 HD2 LYS 579 2HD LYS 579 -7.377 -4.900 -8.375 367 HD3 LYS 579 3HD LYS 579 -6.469 -5.110 -6.884 368 HE2 LYS 579 2HE LYS 579 -8.453 -4.124 -6.205 369 HE3 LYS 579 3HE LYS 579 -7.223 -2.870 -6.091 370 HZ1 LYS 579 3HZ LYS 579 -9.321 -2.133 -7.055 371 HZ2 LYS 579 1HZ LYS 579 -9.141 -3.153 -8.341 372 HZ3 LYS 579 2HZ LYS 579 -8.096 -1.888 -8.118 373 H LYS 580 H LYS 580 -3.832 -1.900 -7.708 374 HA LYS 580 HA LYS 580 -1.093 -0.958 -7.245 375 HB2 LYS 580 2HB LYS 580 -3.594 0.464 -6.309 376 HB3 LYS 580 3HB LYS 580 -2.052 1.148 -6.788 377 HG2 LYS 580 2HG LYS 580 -4.291 0.111 -8.550 378 HG3 LYS 580 3HG LYS 580 -3.619 1.739 -8.435 379 HD2 LYS 580 2HD LYS 580 -1.423 0.701 -9.308 380 HD3 LYS 580 3HD LYS 580 -2.398 -0.708 -9.757 381 HE2 LYS 580 2HE LYS 580 -4.026 0.931 -10.915 382 HE3 LYS 580 3HE LYS 580 -2.745 2.140 -10.777 383 HZ1 LYS 580 3HZ LYS 580 -1.313 0.556 -12.040 384 HZ2 LYS 580 1HZ LYS 580 -2.617 1.051 -12.909 385 HZ3 LYS 580 2HZ LYS 580 -2.584 -0.449 -12.239 386 H MET 581 H MET 581 -0.499 0.113 -5.186 387 HA MET 581 HA MET 581 -1.714 -1.296 -2.814 388 HB2 MET 581 2HB MET 581 0.239 -1.162 -1.565 389 HB3 MET 581 3HB MET 581 0.633 -1.942 -3.088 390 HG2 MET 581 2HG MET 581 2.028 -0.252 -3.751 391 HG3 MET 581 3HG MET 581 1.042 1.007 -3.026 392 HE1 MET 581 3HE MET 581 0.719 0.627 -0.064 393 HE2 MET 581 1HE MET 581 2.187 1.332 0.633 394 HE3 MET 581 2HE MET 581 1.406 2.105 -0.760 395 H TYR 582 H TYR 582 -1.954 -0.231 -0.821 396 HA TYR 582 HA TYR 582 -2.249 2.721 -0.960 397 HB2 TYR 582 2HB TYR 582 -4.447 1.128 0.295 398 HB3 TYR 582 3HB TYR 582 -4.495 2.718 -0.429 399 HD1 TYR 582 HD1 TYR 582 -4.721 2.913 -2.970 400 HD2 TYR 582 HD2 TYR 582 -4.714 -0.896 -0.942 401 HE1 TYR 582 HE1 TYR 582 -5.549 1.795 -5.045 402 HE2 TYR 582 HE2 TYR 582 -5.528 -1.998 -2.999 403 HH TYR 582 HH TYR 582 -5.771 -1.762 -5.214 404 H PHE 583 H PHE 583 -2.103 3.789 1.048 405 HA PHE 583 HA PHE 583 -1.638 2.153 3.463 406 HB2 PHE 583 2HB PHE 583 0.617 2.872 3.808 407 HB3 PHE 583 3HB PHE 583 0.467 2.079 2.293 408 HD1 PHE 583 1HD PHE 583 0.166 3.643 0.152 409 HD2 PHE 583 2HD PHE 583 1.919 4.818 3.898 410 HE1 PHE 583 1HE PHE 583 1.547 5.340 -1.028 411 HE2 PHE 583 2HE PHE 583 3.285 6.533 2.721 412 HZ PHE 583 HZ PHE 583 3.111 6.785 0.256 413 H ILE 584 H ILE 584 -1.870 3.160 5.392 414 HA ILE 584 HA ILE 584 -3.886 5.262 5.067 415 HB ILE 584 HB ILE 584 -3.166 3.779 7.623 416 HG12 ILE 584 2HG1 ILE 584 -5.085 2.981 5.380 417 HG13 ILE 584 3HG1 ILE 584 -3.651 2.116 5.901 418 HG21 ILE 584 1HG2 ILE 584 -5.469 4.396 8.291 419 HG22 ILE 584 2HG2 ILE 584 -4.628 5.863 7.828 420 HG23 ILE 584 3HG2 ILE 584 -5.790 5.122 6.710 421 HD11 ILE 584 3HD1 ILE 584 -5.336 0.901 6.859 422 HD12 ILE 584 1HD1 ILE 584 -4.820 1.933 8.203 423 HD13 ILE 584 2HD1 ILE 584 -6.292 2.343 7.307 424 H GLN 585 H GLN 585 -3.660 7.404 5.437 425 HA GLN 585 HA GLN 585 -1.186 8.339 6.800 426 HB2 GLN 585 2HB GLN 585 -1.776 9.203 4.554 427 HB3 GLN 585 3HB GLN 585 -3.257 9.901 5.222 428 HG2 GLN 585 2HG GLN 585 -1.845 11.300 6.782 429 HG3 GLN 585 3HG GLN 585 -0.400 10.623 6.017 430 HE21 GLN 585 HE21 GLN 585 -3.125 12.892 5.595 431 HE22 GLN 585 HE22 GLN 585 -2.594 13.451 4.019 432 H HIS 586 H HIS 586 -4.732 8.956 7.040 433 HA HIS 586 HA HIS 586 -4.488 9.420 9.948 434 HB2 HIS 586 2HB HIS 586 -4.833 11.632 7.937 435 HB3 HIS 586 3HB HIS 586 -5.839 11.708 9.355 436 HD1 HIS 586 1HD HIS 586 -2.950 13.314 8.340 437 HD2 HIS 586 2HD HIS 586 -3.905 10.991 11.719 438 HE1 HIS 586 1HE HIS 586 -1.296 13.996 10.170 439 H GLY 587 H GLY 587 -5.966 7.822 10.443 440 HA2 GLY 587 2HA GLY 587 -8.472 8.416 10.995 441 HA3 GLY 587 3HA GLY 587 -8.690 7.880 9.325 442 H VAL 588 H VAL 588 -10.008 6.197 10.204 443 HA VAL 588 HA VAL 588 -8.490 3.875 11.198 444 HB VAL 588 HB VAL 588 -11.120 4.878 12.387 445 HG11 VAL 588 1HG1 VAL 588 -11.167 2.431 12.332 446 HG12 VAL 588 2HG1 VAL 588 -9.542 2.363 13.060 447 HG13 VAL 588 3HG1 VAL 588 -10.923 2.995 13.980 448 HG21 VAL 588 3HG2 VAL 588 -9.831 5.004 14.514 449 HG22 VAL 588 1HG2 VAL 588 -8.348 4.593 13.624 450 HG23 VAL 588 2HG2 VAL 588 -9.207 6.114 13.299 451 H VAL 589 H VAL 589 -9.283 1.902 10.410 452 HA VAL 589 HA VAL 589 -11.657 1.945 8.595 453 HB VAL 589 HB VAL 589 -10.528 0.668 6.897 454 HG11 VAL 589 1HG1 VAL 589 -10.375 3.189 6.793 455 HG12 VAL 589 2HG1 VAL 589 -8.763 3.067 7.521 456 HG13 VAL 589 3HG1 VAL 589 -9.083 2.334 5.936 457 HG21 VAL 589 3HG2 VAL 589 -8.069 0.363 6.910 458 HG22 VAL 589 1HG2 VAL 589 -8.026 0.917 8.598 459 HG23 VAL 589 2HG2 VAL 589 -8.885 -0.584 8.155 460 H SER 590 H SER 590 -12.839 0.099 8.496 461 HA SER 590 HA SER 590 -12.124 -2.126 10.405 462 HB2 SER 590 2HB SER 590 -14.787 -1.251 9.237 463 HB3 SER 590 3HB SER 590 -14.498 -2.864 9.919 464 HG SER 590 HG SER 590 -14.738 -0.431 11.235 465 H VAL 591 H VAL 591 -11.058 -3.665 9.449 466 HA VAL 591 HA VAL 591 -11.540 -4.655 6.686 467 HB VAL 591 HB VAL 591 -9.988 -6.048 8.872 468 HG11 VAL 591 1HG1 VAL 591 -8.682 -6.960 6.976 469 HG12 VAL 591 2HG1 VAL 591 -10.384 -7.380 6.872 470 HG13 VAL 591 3HG1 VAL 591 -9.727 -6.087 5.842 471 HG21 VAL 591 3HG2 VAL 591 -8.771 -3.976 7.026 472 HG22 VAL 591 1HG2 VAL 591 -8.968 -3.833 8.793 473 HG23 VAL 591 2HG2 VAL 591 -7.906 -5.072 8.131 474 H LEU 592 H LEU 592 -12.630 -6.560 6.294 475 HA LEU 592 HA LEU 592 -13.813 -8.054 8.619 476 HB2 LEU 592 2HB LEU 592 -14.899 -7.846 5.774 477 HB3 LEU 592 3HB LEU 592 -15.517 -8.888 7.031 478 HG LEU 592 HG LEU 592 -17.032 -7.157 6.806 479 HD11 LEU 592 1HD1 LEU 592 -15.428 -6.365 9.251 480 HD12 LEU 592 2HD1 LEU 592 -16.493 -7.790 9.155 481 HD13 LEU 592 3HD1 LEU 592 -17.170 -6.162 8.986 482 HD21 LEU 592 3HD2 LEU 592 -14.949 -5.003 7.263 483 HD22 LEU 592 1HD2 LEU 592 -16.671 -4.813 6.895 484 HD23 LEU 592 2HD2 LEU 592 -15.580 -5.485 5.671 485 H THR 593 H THR 593 -13.406 -10.327 8.647 486 HA THR 593 HA THR 593 -12.236 -11.414 6.119 487 HB THR 593 HB THR 593 -11.395 -13.316 7.784 488 HG1 THR 593 1HG THR 593 -10.324 -12.277 9.485 489 HG21 THR 593 1HG2 THR 593 -10.039 -12.197 6.109 490 HG22 THR 593 2HG2 THR 593 -9.186 -12.296 7.658 491 HG23 THR 593 3HG2 THR 593 -9.924 -10.752 7.137 492 H LYS 594 H LYS 594 -13.127 -13.042 5.149 493 HA LYS 594 HA LYS 594 -15.797 -13.176 5.151 494 HB2 LYS 594 2HB LYS 594 -15.717 -14.912 3.555 495 HB3 LYS 594 3HB LYS 594 -14.430 -13.764 3.258 496 HG2 LYS 594 2HG LYS 594 -13.995 -16.424 4.653 497 HG3 LYS 594 3HG LYS 594 -13.946 -16.239 2.905 498 HD2 LYS 594 2HD LYS 594 -12.024 -14.753 3.019 499 HD3 LYS 594 3HD LYS 594 -12.086 -14.734 4.782 500 HE2 LYS 594 2HE LYS 594 -10.337 -16.192 4.240 501 HE3 LYS 594 3HE LYS 594 -11.664 -17.194 4.824 502 HZ1 LYS 594 3HZ LYS 594 -12.149 -17.806 2.548 503 HZ2 LYS 594 1HZ LYS 594 -10.578 -18.096 2.873 504 HZ3 LYS 594 2HZ LYS 594 -10.972 -16.802 1.950 505 H GLY 595 H GLY 595 -14.007 -15.712 6.856 506 HA2 GLY 595 2HA GLY 595 -16.453 -17.170 7.647 507 HA3 GLY 595 3HA GLY 595 -14.760 -17.506 8.099 508 H ASN 596 H ASN 596 -15.084 -14.331 8.664 509 HA ASN 596 HA ASN 596 -14.879 -15.039 11.532 510 HB2 ASN 596 2HB ASN 596 -12.971 -13.178 10.190 511 HB3 ASN 596 3HB ASN 596 -12.747 -14.272 11.507 512 HD21 ASN 596 HD21 ASN 596 -10.823 -15.126 10.916 513 HD22 ASN 596 HD22 ASN 596 -10.612 -16.032 9.424 514 H LYS 597 H LYS 597 -13.628 -12.434 12.021 515 HA LYS 597 HA LYS 597 -16.095 -10.845 12.556 516 HB2 LYS 597 2HB LYS 597 -13.415 -10.954 14.035 517 HB3 LYS 597 3HB LYS 597 -14.793 -9.984 14.492 518 HG2 LYS 597 2HG LYS 597 -14.665 -11.786 15.993 519 HG3 LYS 597 3HG LYS 597 -16.112 -11.975 15.016 520 HD2 LYS 597 2HD LYS 597 -14.915 -14.099 15.559 521 HD3 LYS 597 3HD LYS 597 -15.216 -13.852 13.859 522 HE2 LYS 597 2HE LYS 597 -13.034 -14.656 13.852 523 HE3 LYS 597 3HE LYS 597 -12.771 -12.926 13.744 524 HZ1 LYS 597 3HZ LYS 597 -12.399 -12.945 16.204 525 HZ2 LYS 597 1HZ LYS 597 -11.339 -13.923 15.436 526 HZ3 LYS 597 2HZ LYS 597 -12.625 -14.575 16.214 527 H GLU 598 H GLU 598 -15.522 -8.556 13.076 528 HA GLU 598 HA GLU 598 -14.086 -7.331 10.870 529 HB2 GLU 598 2HB GLU 598 -14.881 -5.264 11.674 530 HB3 GLU 598 3HB GLU 598 -16.215 -6.392 11.868 531 HG2 GLU 598 2HG GLU 598 -14.338 -5.357 14.044 532 HG3 GLU 598 3HG GLU 598 -15.988 -4.876 13.770 533 H MET 599 H MET 599 -12.359 -5.788 11.196 534 HA MET 599 HA MET 599 -10.705 -5.951 13.663 535 HB2 MET 599 2HB MET 599 -9.713 -6.647 10.885 536 HB3 MET 599 3HB MET 599 -8.650 -6.303 12.246 537 HG2 MET 599 2HG MET 599 -9.428 -8.187 13.462 538 HG3 MET 599 3HG MET 599 -10.717 -8.518 12.306 539 HE1 MET 599 3HE MET 599 -10.515 -9.327 9.945 540 HE2 MET 599 1HE MET 599 -9.214 -8.257 9.363 541 HE3 MET 599 2HE MET 599 -9.059 -10.023 9.212 542 H LYS 600 H LYS 600 -10.099 -3.997 14.228 543 HA LYS 600 HA LYS 600 -10.223 -1.778 12.325 544 HB2 LYS 600 2HB LYS 600 -10.152 -1.979 15.269 545 HB3 LYS 600 3HB LYS 600 -9.158 -0.675 14.645 546 HG2 LYS 600 2HG LYS 600 -11.311 0.253 15.026 547 HG3 LYS 600 3HG LYS 600 -11.078 0.141 13.287 548 HD2 LYS 600 2HD LYS 600 -13.334 -0.538 13.776 549 HD3 LYS 600 3HD LYS 600 -12.412 -1.928 13.217 550 HE2 LYS 600 2HE LYS 600 -13.891 -2.521 15.116 551 HE3 LYS 600 3HE LYS 600 -12.195 -2.747 15.550 552 HZ1 LYS 600 3HZ LYS 600 -13.846 -0.385 16.325 553 HZ2 LYS 600 1HZ LYS 600 -12.285 -0.610 16.742 554 HZ3 LYS 600 2HZ LYS 600 -13.417 -1.610 17.324 555 H LEU 601 H LEU 601 -8.770 -0.778 11.317 556 HA LEU 601 HA LEU 601 -5.847 -0.986 11.997 557 HB2 LEU 601 2HB LEU 601 -7.218 -1.382 9.371 558 HB3 LEU 601 3HB LEU 601 -5.782 -0.372 9.345 559 HG LEU 601 HG LEU 601 -4.444 -2.209 10.317 560 HD11 LEU 601 1HD1 LEU 601 -7.082 -3.710 10.143 561 HD12 LEU 601 2HD1 LEU 601 -5.999 -3.546 11.545 562 HD13 LEU 601 3HD1 LEU 601 -5.507 -4.540 10.179 563 HD21 LEU 601 3HD2 LEU 601 -4.675 -1.887 7.850 564 HD22 LEU 601 1HD2 LEU 601 -6.048 -3.020 7.852 565 HD23 LEU 601 2HD2 LEU 601 -4.423 -3.581 8.291 566 H SER 602 H SER 602 -4.571 0.923 11.329 567 HA SER 602 HA SER 602 -6.060 3.501 11.474 568 HB2 SER 602 2HB SER 602 -4.747 4.085 13.505 569 HB3 SER 602 3HB SER 602 -5.819 2.705 13.755 570 HG SER 602 HG SER 602 -4.005 1.910 14.529 571 H ASP 603 H ASP 603 -4.300 5.357 11.781 572 HA ASP 603 HA ASP 603 -2.800 5.632 9.468 573 HB2 ASP 603 2HB ASP 603 -1.591 7.441 10.489 574 HB3 ASP 603 3HB ASP 603 -3.298 7.519 10.880 575 H GLY 604 H GLY 604 -0.868 5.122 8.653 576 HA2 GLY 604 2HA GLY 604 1.344 4.347 8.587 577 HA3 GLY 604 3HA GLY 604 1.242 3.868 10.277 578 H SER 605 H SER 605 -1.460 2.423 9.315 579 HA SER 605 HA SER 605 -0.256 -0.174 8.698 580 HB2 SER 605 2HB SER 605 -3.124 0.793 8.746 581 HB3 SER 605 3HB SER 605 -2.629 -0.890 8.491 582 HG SER 605 HG SER 605 -1.977 0.653 10.814 583 H TYR 606 H TYR 606 -0.880 -1.422 6.769 584 HA TYR 606 HA TYR 606 -1.219 0.135 4.258 585 HB2 TYR 606 2HB TYR 606 1.008 0.413 4.114 586 HB3 TYR 606 3HB TYR 606 1.347 -0.709 5.410 587 HD1 TYR 606 HD1 TYR 606 0.408 -0.628 1.801 588 HD2 TYR 606 HD2 TYR 606 2.319 -2.795 4.987 589 HE1 TYR 606 HE1 TYR 606 1.070 -2.436 0.179 590 HE2 TYR 606 HE2 TYR 606 2.980 -4.593 3.385 591 HH TYR 606 HH TYR 606 2.004 -4.517 -0.065 592 H PHE 607 H PHE 607 -2.022 -0.964 2.548 593 HA PHE 607 HA PHE 607 -1.976 -3.894 2.403 594 HB2 PHE 607 2HB PHE 607 -4.580 -3.916 2.195 595 HB3 PHE 607 3HB PHE 607 -3.790 -3.954 3.743 596 HD1 PHE 607 2HD PHE 607 -4.598 -0.987 1.519 597 HD2 PHE 607 1HD PHE 607 -5.233 -3.026 5.265 598 HE1 PHE 607 2HE PHE 607 -5.977 0.917 2.329 599 HE2 PHE 607 1HE PHE 607 -6.584 -1.121 6.070 600 HZ PHE 607 HZ PHE 607 -6.928 0.876 4.621 601 H GLY 608 H GLY 608 -3.695 -4.527 0.498 602 HA2 GLY 608 2HA GLY 608 -4.283 -3.849 -1.826 603 HA3 GLY 608 3HA GLY 608 -2.746 -2.999 -1.916 604 H GLU 609 H GLU 609 -4.244 -6.170 -1.654 605 HA GLU 609 HA GLU 609 -3.441 -8.318 -1.710 606 HB2 GLU 609 2HB GLU 609 -2.406 -7.152 -4.320 607 HB3 GLU 609 3HB GLU 609 -2.423 -8.867 -3.929 608 HG2 GLU 609 2HG GLU 609 -4.407 -9.032 -4.785 609 HG3 GLU 609 3HG GLU 609 -5.031 -8.231 -3.351 610 H ILE 610 H ILE 610 -0.807 -9.056 -3.151 611 HA ILE 610 HA ILE 610 1.168 -8.130 -1.086 612 HB ILE 610 HB ILE 610 1.152 -10.719 -2.672 613 HG12 ILE 610 2HG1 ILE 610 1.015 -10.295 0.307 614 HG13 ILE 610 3HG1 ILE 610 -0.382 -10.662 -0.698 615 HG21 ILE 610 1HG2 ILE 610 3.237 -9.648 -0.717 616 HG22 ILE 610 2HG2 ILE 610 3.288 -11.224 -1.537 617 HG23 ILE 610 3HG2 ILE 610 3.450 -9.753 -2.476 618 HD11 ILE 610 3HD1 ILE 610 1.990 -12.503 -0.219 619 HD12 ILE 610 1HD1 ILE 610 0.329 -12.692 0.358 620 HD13 ILE 610 2HD1 ILE 610 0.675 -12.817 -1.378 621 H CYS 611 H CYS 611 0.894 -9.262 -4.462 622 HA CYS 611 HA CYS 611 1.587 -8.463 -6.447 623 HB2 CYS 611 2HB CYS 611 -0.087 -6.807 -5.351 624 HB3 CYS 611 3HB CYS 611 1.330 -5.747 -5.208 625 HG CYS 611 HG CYS 611 -0.177 -5.062 -7.322 626 H LEU 612 H LEU 612 2.836 -5.922 -6.985 627 HA LEU 612 HA LEU 612 4.715 -5.168 -7.870 628 HB2 LEU 612 2HB LEU 612 5.909 -6.103 -5.231 629 HB3 LEU 612 3HB LEU 612 6.909 -5.377 -6.479 630 HG LEU 612 HG LEU 612 4.473 -3.979 -5.368 631 HD11 LEU 612 1HD1 LEU 612 7.344 -3.818 -4.410 632 HD12 LEU 612 2HD1 LEU 612 5.950 -4.457 -3.510 633 HD13 LEU 612 3HD1 LEU 612 6.025 -2.730 -3.918 634 HD21 LEU 612 3HD2 LEU 612 6.990 -2.677 -6.479 635 HD22 LEU 612 1HD2 LEU 612 5.325 -2.041 -6.369 636 HD23 LEU 612 2HD2 LEU 612 5.753 -3.232 -7.601 637 H LEU 613 H LEU 613 6.026 -8.036 -6.251 638 HA LEU 613 HA LEU 613 7.198 -9.012 -8.787 639 HB2 LEU 613 2HB LEU 613 8.874 -10.126 -7.497 640 HB3 LEU 613 3HB LEU 613 8.855 -8.411 -7.191 641 HG LEU 613 HG LEU 613 9.388 -9.749 -5.246 642 HD11 LEU 613 1HD1 LEU 613 6.754 -8.379 -4.712 643 HD12 LEU 613 2HD1 LEU 613 8.282 -7.520 -5.011 644 HD13 LEU 613 3HD1 LEU 613 8.109 -8.601 -3.611 645 HD21 LEU 613 3HD2 LEU 613 7.839 -11.710 -5.696 646 HD22 LEU 613 1HD2 LEU 613 6.548 -10.722 -4.968 647 HD23 LEU 613 2HD2 LEU 613 7.976 -11.143 -4.023 648 H THR 614 H THR 614 4.699 -9.797 -6.622 649 HA THR 614 HA THR 614 4.635 -12.591 -7.723 650 HB THR 614 HB THR 614 4.784 -12.541 -5.252 651 HG1 THR 614 1HG THR 614 3.168 -14.085 -5.093 652 HG21 THR 614 1HG2 THR 614 3.353 -10.582 -4.752 653 HG22 THR 614 2HG2 THR 614 2.790 -12.058 -3.947 654 HG23 THR 614 3HG2 THR 614 1.937 -11.458 -5.381 655 H ARG 615 H ARG 615 2.536 -13.476 -8.207 656 HA ARG 615 HA ARG 615 0.449 -11.599 -9.013 657 HB2 ARG 615 2HB ARG 615 0.507 -12.317 -11.417 658 HB3 ARG 615 3HB ARG 615 1.785 -11.221 -10.902 659 HG2 ARG 615 2HG ARG 615 3.393 -13.088 -10.843 660 HG3 ARG 615 3HG ARG 615 2.121 -14.225 -11.329 661 HD2 ARG 615 2HD ARG 615 2.942 -11.764 -12.941 662 HD3 ARG 615 3HD ARG 615 3.637 -13.372 -13.187 663 HE ARG 615 HE ARG 615 1.099 -14.037 -13.522 664 HH11 ARG 615 1HH1 ARG 615 2.621 -11.143 -14.945 665 HH12 ARG 615 2HH1 ARG 615 1.697 -11.383 -16.398 666 HH21 ARG 615 1HH2 ARG 615 -0.079 -14.071 -15.228 667 HH22 ARG 615 2HH2 ARG 615 -0.029 -12.781 -16.434 668 H GLY 616 H GLY 616 -1.409 -12.380 -9.632 669 HA2 GLY 616 2HA GLY 616 -2.884 -14.365 -10.169 670 HA3 GLY 616 3HA GLY 616 -2.138 -15.150 -8.760 671 H ARG 617 H ARG 617 -4.960 -14.110 -9.409 672 HA ARG 617 HA ARG 617 -5.376 -11.659 -7.939 673 HB2 ARG 617 2HB ARG 617 -7.336 -13.695 -9.052 674 HB3 ARG 617 3HB ARG 617 -7.778 -12.106 -8.398 675 HG2 ARG 617 2HG ARG 617 -6.358 -10.988 -10.072 676 HG3 ARG 617 3HG ARG 617 -5.918 -12.555 -10.766 677 HD2 ARG 617 2HD ARG 617 -8.759 -11.510 -10.636 678 HD3 ARG 617 3HD ARG 617 -7.677 -11.292 -12.015 679 HE ARG 617 HE ARG 617 -8.884 -13.847 -11.069 680 HH11 ARG 617 1HH1 ARG 617 -6.755 -12.361 -13.540 681 HH12 ARG 617 2HH1 ARG 617 -6.769 -13.879 -14.425 682 HH21 ARG 617 1HH2 ARG 617 -8.853 -15.618 -12.456 683 HH22 ARG 617 2HH2 ARG 617 -7.802 -15.535 -13.867 684 H ARG 618 H ARG 618 -6.455 -11.198 -6.136 685 HA ARG 618 HA ARG 618 -7.052 -13.273 -4.069 686 HB2 ARG 618 2HB ARG 618 -5.339 -10.785 -3.690 687 HB3 ARG 618 3HB ARG 618 -5.956 -11.778 -2.372 688 HG2 ARG 618 2HG ARG 618 -4.671 -13.706 -3.097 689 HG3 ARG 618 3HG ARG 618 -4.172 -12.894 -4.583 690 HD2 ARG 618 2HD ARG 618 -2.315 -12.855 -3.099 691 HD3 ARG 618 3HD ARG 618 -2.920 -11.217 -3.293 692 HE ARG 618 HE ARG 618 -3.706 -11.203 -1.047 693 HH11 ARG 618 1HH1 ARG 618 -2.305 -14.390 -1.668 694 HH12 ARG 618 2HH1 ARG 618 -1.899 -14.565 0.031 695 HH21 ARG 618 1HH2 ARG 618 -3.470 -11.650 0.972 696 HH22 ARG 618 2HH2 ARG 618 -2.804 -13.192 1.516 697 H THR 619 H THR 619 -8.288 -12.108 -2.167 698 HA THR 619 HA THR 619 -10.097 -9.966 -3.210 699 HB THR 619 HB THR 619 -10.974 -12.722 -2.293 700 HG1 THR 619 1HG THR 619 -11.694 -12.883 -4.277 701 HG21 THR 619 1HG2 THR 619 -13.309 -11.891 -2.681 702 HG22 THR 619 2HG2 THR 619 -12.677 -10.232 -2.753 703 HG23 THR 619 3HG2 THR 619 -12.560 -11.181 -1.253 704 H ALA 620 H ALA 620 -10.506 -8.449 -1.752 705 HA ALA 620 HA ALA 620 -10.535 -9.085 1.162 706 HB1 ALA 620 1HB ALA 620 -9.731 -6.510 -0.256 707 HB2 ALA 620 2HB ALA 620 -9.695 -6.799 1.499 708 HB3 ALA 620 3HB ALA 620 -8.599 -7.680 0.425 709 H SER 621 H SER 621 -12.007 -8.041 2.463 710 HA SER 621 HA SER 621 -14.033 -6.187 1.256 711 HB2 SER 621 2HB SER 621 -14.520 -8.292 3.396 712 HB3 SER 621 3HB SER 621 -15.678 -7.049 2.883 713 HG SER 621 HG SER 621 -15.092 -9.428 1.770 714 H VAL 622 H VAL 622 -13.108 -4.262 1.934 715 HA VAL 622 HA VAL 622 -12.960 -3.812 4.859 716 HB VAL 622 HB VAL 622 -10.778 -4.614 4.353 717 HG11 VAL 622 1HG1 VAL 622 -10.586 -4.242 1.961 718 HG12 VAL 622 2HG1 VAL 622 -10.526 -2.484 2.217 719 HG13 VAL 622 3HG1 VAL 622 -9.221 -3.529 2.821 720 HG21 VAL 622 3HG2 VAL 622 -10.611 -1.596 4.641 721 HG22 VAL 622 1HG2 VAL 622 -10.947 -2.768 5.941 722 HG23 VAL 622 2HG2 VAL 622 -9.391 -2.797 5.107 723 H ARG 623 H ARG 623 -13.346 -1.805 5.564 724 HA ARG 623 HA ARG 623 -13.949 0.347 3.593 725 HB2 ARG 623 2HB ARG 623 -16.193 0.609 4.378 726 HB3 ARG 623 3HB ARG 623 -15.975 -1.104 4.026 727 HG2 ARG 623 2HG ARG 623 -15.368 -1.284 6.581 728 HG3 ARG 623 3HG ARG 623 -16.152 0.284 6.726 729 HD2 ARG 623 2HD ARG 623 -17.438 -2.234 5.575 730 HD3 ARG 623 3HD ARG 623 -17.633 -1.653 7.227 731 HE ARG 623 HE ARG 623 -18.461 0.000 4.856 732 HH11 ARG 623 1HH1 ARG 623 -19.376 -1.328 8.026 733 HH12 ARG 623 2HH1 ARG 623 -21.018 -0.751 7.814 734 HH21 ARG 623 1HH2 ARG 623 -20.409 0.959 4.931 735 HH22 ARG 623 2HH2 ARG 623 -21.466 0.707 6.308 736 H ALA 624 H ALA 624 -14.333 2.408 4.448 737 HA ALA 624 HA ALA 624 -12.514 3.081 6.645 738 HB1 ALA 624 1HB ALA 624 -14.324 4.854 4.960 739 HB2 ALA 624 2HB ALA 624 -12.984 5.380 6.002 740 HB3 ALA 624 3HB ALA 624 -12.649 4.420 4.554 741 H ASP 625 H ASP 625 -13.052 3.434 8.749 742 HA ASP 625 HA ASP 625 -15.786 2.797 9.609 743 HB2 ASP 625 2HB ASP 625 -13.282 2.348 10.667 744 HB3 ASP 625 3HB ASP 625 -13.715 3.792 11.543 745 H THR 626 H THR 626 -14.183 5.494 8.718 746 HA THR 626 HA THR 626 -15.830 7.619 9.858 747 HB THR 626 HB THR 626 -14.412 7.106 11.758 748 HG1 THR 626 1HG THR 626 -12.933 9.072 11.539 749 HG21 THR 626 1HG2 THR 626 -12.032 7.348 9.878 750 HG22 THR 626 2HG2 THR 626 -12.588 5.877 10.726 751 HG23 THR 626 3HG2 THR 626 -11.943 7.231 11.652 752 H TYR 627 H TYR 627 -14.582 9.780 9.099 753 HA TYR 627 HA TYR 627 -13.834 9.644 6.289 754 HB2 TYR 627 2HB TYR 627 -14.660 11.708 6.824 755 HB3 TYR 627 3HB TYR 627 -14.008 11.698 8.436 756 HD1 TYR 627 HD2 TYR 627 -11.652 12.347 8.899 757 HD2 TYR 627 HD1 TYR 627 -13.419 12.698 4.984 758 HE1 TYR 627 HE2 TYR 627 -9.797 13.857 8.206 759 HE2 TYR 627 HE1 TYR 627 -11.584 14.261 4.309 760 HH TYR 627 HH TYR 627 -9.775 15.415 4.984 761 H CYS 628 H CYS 628 -11.954 8.893 5.508 762 HA CYS 628 HA CYS 628 -9.548 8.833 7.284 763 HB2 CYS 628 2HB CYS 628 -10.872 6.633 7.143 764 HB3 CYS 628 3HB CYS 628 -10.282 6.528 5.463 765 HG CYS 628 HG CYS 628 -8.841 5.017 7.058 766 H ARG 629 H ARG 629 -7.857 9.669 6.484 767 HA ARG 629 HA ARG 629 -7.477 10.376 3.613 768 HB2 ARG 629 2HB ARG 629 -5.941 10.800 6.230 769 HB3 ARG 629 3HB ARG 629 -5.291 11.338 4.707 770 HG2 ARG 629 2HG ARG 629 -8.011 12.275 5.692 771 HG3 ARG 629 3HG ARG 629 -6.523 13.056 6.217 772 HD2 ARG 629 2HD ARG 629 -6.867 12.638 3.269 773 HD3 ARG 629 3HD ARG 629 -7.912 13.840 4.024 774 HE ARG 629 HE ARG 629 -4.996 13.983 3.602 775 HH11 ARG 629 1HH1 ARG 629 -7.678 15.546 5.297 776 HH12 ARG 629 2HH1 ARG 629 -6.883 17.100 5.190 777 HH21 ARG 629 1HH2 ARG 629 -4.109 15.897 3.572 778 HH22 ARG 629 2HH2 ARG 629 -4.979 17.315 4.110 779 H LEU 630 H LEU 630 -6.712 8.907 2.319 780 HA LEU 630 HA LEU 630 -4.702 6.888 3.267 781 HB2 LEU 630 2HB LEU 630 -6.549 6.652 0.863 782 HB3 LEU 630 3HB LEU 630 -5.333 5.494 1.404 783 HG LEU 630 HG LEU 630 -7.970 6.132 2.773 784 HD11 LEU 630 1HD1 LEU 630 -8.412 3.730 2.317 785 HD12 LEU 630 2HD1 LEU 630 -6.814 3.563 1.569 786 HD13 LEU 630 3HD1 LEU 630 -8.054 4.590 0.820 787 HD21 LEU 630 3HD2 LEU 630 -6.321 5.782 4.531 788 HD22 LEU 630 1HD2 LEU 630 -5.679 4.349 3.686 789 HD23 LEU 630 2HD2 LEU 630 -7.318 4.333 4.386 790 H TYR 631 H TYR 631 -3.036 6.335 1.761 791 HA TYR 631 HA TYR 631 -2.477 8.356 -0.352 792 HB2 TYR 631 2HB TYR 631 -0.967 7.856 1.965 793 HB3 TYR 631 3HB TYR 631 -0.139 6.965 0.719 794 HD1 TYR 631 HD1 TYR 631 0.161 8.344 -1.591 795 HD2 TYR 631 HD2 TYR 631 -0.385 10.092 2.305 796 HE1 TYR 631 HE1 TYR 631 1.063 10.511 -2.413 797 HE2 TYR 631 HE2 TYR 631 0.568 12.232 1.486 798 HH TYR 631 HH TYR 631 1.342 13.400 -0.345 799 H SER 632 H SER 632 -1.925 7.527 -2.386 800 HA SER 632 HA SER 632 -2.253 4.562 -2.750 801 HB2 SER 632 2HB SER 632 -3.164 6.872 -4.506 802 HB3 SER 632 3HB SER 632 -3.378 5.147 -4.855 803 HG SER 632 HG SER 632 -5.204 6.293 -3.879 804 H LEU 633 H LEU 633 -0.767 3.492 -3.924 805 HA LEU 633 HA LEU 633 1.239 5.051 -5.506 806 HB2 LEU 633 2HB LEU 633 1.842 4.384 -3.071 807 HB3 LEU 633 3HB LEU 633 1.996 2.753 -3.690 808 HG LEU 633 HG LEU 633 3.567 5.171 -4.673 809 HD11 LEU 633 1HD1 LEU 633 4.068 4.536 -2.321 810 HD12 LEU 633 2HD1 LEU 633 5.430 4.215 -3.399 811 HD13 LEU 633 3HD1 LEU 633 4.402 2.873 -2.850 812 HD21 LEU 633 3HD2 LEU 633 5.105 3.432 -5.637 813 HD22 LEU 633 1HD2 LEU 633 3.544 3.533 -6.439 814 HD23 LEU 633 2HD2 LEU 633 3.863 2.205 -5.296 815 H SER 634 H SER 634 1.148 4.465 -7.516 816 HA SER 634 HA SER 634 0.023 2.041 -8.489 817 HB2 SER 634 2HB SER 634 1.201 2.735 -10.647 818 HB3 SER 634 3HB SER 634 -0.023 3.793 -9.957 819 HG SER 634 HG SER 634 2.357 4.432 -10.668 820 H VAL 635 H VAL 635 0.788 0.068 -8.518 821 HA VAL 635 HA VAL 635 3.234 -0.648 -7.340 822 HB VAL 635 HB VAL 635 1.079 -2.096 -7.804 823 HG11 VAL 635 1HG1 VAL 635 3.074 -3.121 -9.883 824 HG12 VAL 635 2HG1 VAL 635 1.513 -3.836 -9.451 825 HG13 VAL 635 3HG1 VAL 635 1.516 -2.284 -10.329 826 HG21 VAL 635 3HG2 VAL 635 2.564 -4.035 -7.431 827 HG22 VAL 635 1HG2 VAL 635 3.890 -3.045 -8.113 828 HG23 VAL 635 2HG2 VAL 635 3.134 -2.625 -6.511 829 H ASP 636 H ASP 636 2.448 -0.224 -10.688 830 HA ASP 636 HA ASP 636 4.793 -1.527 -11.491 831 HB2 ASP 636 2HB ASP 636 2.984 0.413 -13.033 832 HB3 ASP 636 3HB ASP 636 4.220 -0.554 -13.822 833 H ASN 637 H ASN 637 4.224 1.814 -10.652 834 HA ASN 637 HA ASN 637 6.656 2.895 -11.906 835 HB2 ASN 637 2HB ASN 637 4.666 4.137 -9.971 836 HB3 ASN 637 3HB ASN 637 6.032 4.981 -10.712 837 HD21 ASN 637 HD21 ASN 637 6.074 5.154 -13.154 838 HD22 ASN 637 HD22 ASN 637 4.536 4.986 -14.003 839 H PHE 638 H PHE 638 5.835 1.342 -8.906 840 HA PHE 638 HA PHE 638 8.296 1.942 -7.436 841 HB2 PHE 638 2HB PHE 638 6.115 1.270 -6.455 842 HB3 PHE 638 3HB PHE 638 6.322 -0.304 -7.164 843 HD1 PHE 638 1HD PHE 638 9.114 -1.132 -6.490 844 HD2 PHE 638 2HD PHE 638 6.135 0.983 -4.193 845 HE1 PHE 638 1HE PHE 638 10.146 -1.933 -4.400 846 HE2 PHE 638 2HE PHE 638 7.161 0.127 -2.120 847 HZ PHE 638 HZ PHE 638 9.222 -1.279 -2.221 848 H ASN 639 H ASN 639 7.030 -0.807 -9.428 849 HA ASN 639 HA ASN 639 9.476 -2.263 -9.497 850 HB2 ASN 639 2HB ASN 639 7.017 -2.156 -11.281 851 HB3 ASN 639 3HB ASN 639 8.366 -3.207 -11.673 852 HD21 ASN 639 HD21 ASN 639 5.534 -3.865 -10.828 853 HD22 ASN 639 HD22 ASN 639 5.868 -5.084 -9.607 854 H GLU 640 H GLU 640 8.560 0.573 -11.421 855 HA GLU 640 HA GLU 640 10.677 0.419 -13.383 856 HB2 GLU 640 2HB GLU 640 8.794 2.485 -12.278 857 HB3 GLU 640 3HB GLU 640 10.187 3.095 -13.090 858 HG2 GLU 640 2HG GLU 640 8.182 1.109 -14.295 859 HG3 GLU 640 3HG GLU 640 8.078 2.848 -14.484 860 H VAL 641 H VAL 641 10.463 2.080 -10.207 861 HA VAL 641 HA VAL 641 13.179 3.152 -10.371 862 HB VAL 641 HB VAL 641 11.509 4.395 -9.277 863 HG11 VAL 641 1HG1 VAL 641 9.995 2.742 -8.518 864 HG12 VAL 641 2HG1 VAL 641 11.134 2.175 -7.270 865 HG13 VAL 641 3HG1 VAL 641 10.439 3.809 -7.187 866 HG21 VAL 641 3HG2 VAL 641 13.786 4.627 -8.309 867 HG22 VAL 641 1HG2 VAL 641 12.501 4.925 -7.107 868 HG23 VAL 641 2HG2 VAL 641 13.359 3.393 -7.090 869 H LEU 642 H LEU 642 11.734 0.249 -9.040 870 HA LEU 642 HA LEU 642 13.856 -1.026 -7.684 871 HB2 LEU 642 2HB LEU 642 11.469 -1.794 -8.544 872 HB3 LEU 642 3HB LEU 642 12.571 -2.673 -9.626 873 HG LEU 642 HG LEU 642 13.984 -3.131 -7.444 874 HD11 LEU 642 1HD1 LEU 642 12.667 -3.189 -5.364 875 HD12 LEU 642 2HD1 LEU 642 11.298 -2.406 -6.211 876 HD13 LEU 642 3HD1 LEU 642 12.815 -1.525 -5.916 877 HD21 LEU 642 3HD2 LEU 642 12.693 -4.680 -8.659 878 HD22 LEU 642 1HD2 LEU 642 11.225 -4.208 -7.749 879 HD23 LEU 642 2HD2 LEU 642 12.607 -4.986 -6.895 880 H GLU 643 H GLU 643 13.689 -0.445 -11.236 881 HA GLU 643 HA GLU 643 16.089 -2.021 -11.715 882 HB2 GLU 643 2HB GLU 643 14.518 -0.143 -13.486 883 HB3 GLU 643 3HB GLU 643 15.742 -1.260 -14.061 884 HG2 GLU 643 2HG GLU 643 13.462 -2.428 -12.464 885 HG3 GLU 643 3HG GLU 643 13.037 -1.695 -13.970 886 H GLU 644 H GLU 644 15.623 1.347 -10.738 887 HA GLU 644 HA GLU 644 18.108 2.364 -11.840 888 HB2 GLU 644 2HB GLU 644 16.121 3.317 -9.783 889 HB3 GLU 644 3HB GLU 644 17.529 4.236 -10.264 890 HG2 GLU 644 2HG GLU 644 15.665 3.202 -12.421 891 HG3 GLU 644 3HG GLU 644 15.135 4.493 -11.394 892 H TYR 645 H TYR 645 17.266 0.509 -9.064 893 HA TYR 645 HA TYR 645 19.928 0.975 -7.774 894 HB2 TYR 645 2HB TYR 645 17.263 0.641 -6.385 895 HB3 TYR 645 3HB TYR 645 18.837 0.771 -5.604 896 HD1 TYR 645 HD1 TYR 645 16.323 2.547 -7.642 897 HD2 TYR 645 HD2 TYR 645 19.871 2.968 -5.254 898 HE1 TYR 645 HE1 TYR 645 16.127 4.997 -7.841 899 HE2 TYR 645 HE2 TYR 645 19.616 5.448 -5.330 900 HH TYR 645 HH TYR 645 18.564 7.188 -6.338 901 HA PRO 646 HA PRO 646 19.313 -3.466 -9.045 902 HB2 PRO 646 2HB PRO 646 22.019 -4.000 -9.482 903 HB3 PRO 646 3HB PRO 646 20.846 -3.393 -10.691 904 HG2 PRO 646 2HG PRO 646 22.772 -1.787 -8.982 905 HG3 PRO 646 3HG PRO 646 22.484 -1.655 -10.749 906 HD2 PRO 646 2HD PRO 646 21.272 0.064 -9.100 907 HD3 PRO 646 3HD PRO 646 20.320 -0.692 -10.400 908 H MET 647 H MET 647 21.125 -2.116 -6.345 909 HA MET 647 HA MET 647 21.499 -4.696 -4.981 910 HB2 MET 647 2HB MET 647 22.808 -2.716 -4.335 911 HB3 MET 647 3HB MET 647 21.321 -1.836 -3.957 912 HG2 MET 647 2HG MET 647 20.824 -3.741 -2.268 913 HG3 MET 647 3HG MET 647 22.493 -4.250 -2.533 914 HE1 MET 647 3HE MET 647 20.898 -0.534 -0.328 915 HE2 MET 647 1HE MET 647 20.655 -0.702 -2.081 916 HE3 MET 647 2HE MET 647 19.969 -1.909 -0.971 917 H MET 648 H MET 648 19.032 -2.097 -4.939 918 HA MET 648 HA MET 648 17.403 -3.362 -2.891 919 HB2 MET 648 2HB MET 648 16.828 -1.144 -4.880 920 HB3 MET 648 3HB MET 648 15.731 -1.599 -3.577 921 HG2 MET 648 2HG MET 648 18.550 -0.867 -2.841 922 HG3 MET 648 3HG MET 648 17.486 0.407 -3.404 923 HE1 MET 648 3HE MET 648 16.556 -2.022 0.460 924 HE2 MET 648 1HE MET 648 16.147 -2.685 -1.134 925 HE3 MET 648 2HE MET 648 17.853 -2.457 -0.669 926 H ARG 649 H ARG 649 17.417 -3.440 -6.432 927 HA ARG 649 HA ARG 649 15.055 -4.939 -6.913 928 HB2 ARG 649 2HB ARG 649 16.995 -3.911 -8.444 929 HB3 ARG 649 3HB ARG 649 17.649 -5.534 -8.372 930 HG2 ARG 649 2HG ARG 649 14.832 -4.836 -9.282 931 HG3 ARG 649 3HG ARG 649 16.221 -4.900 -10.348 932 HD2 ARG 649 2HD ARG 649 16.481 -7.313 -9.973 933 HD3 ARG 649 3HD ARG 649 15.216 -7.289 -8.746 934 HE ARG 649 HE ARG 649 13.625 -7.466 -10.394 935 HH11 ARG 649 1HH1 ARG 649 16.456 -6.323 -12.139 936 HH12 ARG 649 2HH1 ARG 649 15.452 -5.599 -13.390 937 HH21 ARG 649 1HH2 ARG 649 12.550 -6.980 -12.159 938 HH22 ARG 649 2HH2 ARG 649 13.320 -6.147 -13.506 939 H ARG 650 H ARG 650 18.242 -6.089 -5.917 940 HA ARG 650 HA ARG 650 17.747 -8.896 -6.163 941 HB2 ARG 650 2HB ARG 650 19.982 -7.725 -6.051 942 HB3 ARG 650 3HB ARG 650 19.735 -7.567 -4.303 943 HG2 ARG 650 2HG ARG 650 19.463 -10.092 -4.192 944 HG3 ARG 650 3HG ARG 650 19.890 -10.150 -5.921 945 HD2 ARG 650 2HD ARG 650 22.031 -9.008 -5.405 946 HD3 ARG 650 3HD ARG 650 21.554 -8.930 -3.692 947 HE ARG 650 HE ARG 650 21.496 -11.656 -4.635 948 HH11 ARG 650 1HH1 ARG 650 23.919 -9.201 -3.841 949 HH12 ARG 650 2HH1 ARG 650 25.051 -10.442 -3.319 950 HH21 ARG 650 1HH2 ARG 650 22.938 -13.066 -3.752 951 HH22 ARG 650 2HH2 ARG 650 24.546 -12.514 -3.327 952 H ALA 651 H ALA 651 17.603 -6.746 -3.357 953 HA ALA 651 HA ALA 651 16.878 -8.420 -1.297 954 HB1 ALA 651 1HB ALA 651 15.895 -6.438 -0.274 955 HB2 ALA 651 2HB ALA 651 17.318 -5.936 -1.212 956 HB3 ALA 651 3HB ALA 651 15.675 -5.678 -1.860 957 H PHE 652 H PHE 652 14.716 -7.543 -3.967 958 HA PHE 652 HA PHE 652 12.415 -8.895 -2.651 959 HB2 PHE 652 2HB PHE 652 12.741 -7.185 -5.132 960 HB3 PHE 652 3HB PHE 652 11.251 -8.068 -4.791 961 HD1 PHE 652 2HD PHE 652 9.968 -7.558 -2.645 962 HD2 PHE 652 1HD PHE 652 13.206 -5.118 -4.062 963 HE1 PHE 652 2HE PHE 652 9.133 -5.675 -1.272 964 HE2 PHE 652 1HE PHE 652 12.383 -3.214 -2.672 965 HZ PHE 652 HZ PHE 652 10.324 -3.485 -1.284 966 H GLU 653 H GLU 653 14.563 -9.422 -5.546 967 HA GLU 653 HA GLU 653 13.012 -11.769 -6.292 968 HB2 GLU 653 2HB GLU 653 14.756 -12.278 -7.882 969 HB3 GLU 653 3HB GLU 653 14.109 -10.633 -7.995 970 HG2 GLU 653 2HG GLU 653 15.963 -9.733 -6.831 971 HG3 GLU 653 3HG GLU 653 16.729 -11.324 -6.624 972 H THR 654 H THR 654 15.426 -11.243 -3.958 973 HA THR 654 HA THR 654 16.302 -14.021 -3.677 974 HB THR 654 HB THR 654 17.635 -11.966 -3.084 975 HG1 THR 654 1HG THR 654 18.224 -14.044 -2.419 976 HG21 THR 654 1HG2 THR 654 16.115 -12.115 -0.454 977 HG22 THR 654 2HG2 THR 654 15.788 -10.901 -1.702 978 HG23 THR 654 3HG2 THR 654 17.386 -10.965 -0.930 979 H VAL 655 H VAL 655 13.626 -12.215 -2.539 980 HA VAL 655 HA VAL 655 12.765 -14.294 -0.587 981 HB VAL 655 HB VAL 655 12.748 -12.041 0.234 982 HG11 VAL 655 1HG1 VAL 655 10.872 -11.249 -1.943 983 HG12 VAL 655 2HG1 VAL 655 11.334 -10.289 -0.519 984 HG13 VAL 655 3HG1 VAL 655 12.584 -10.762 -1.674 985 HG21 VAL 655 3HG2 VAL 655 10.972 -13.643 0.981 986 HG22 VAL 655 1HG2 VAL 655 10.513 -11.938 1.130 987 HG23 VAL 655 2HG2 VAL 655 9.879 -12.914 -0.214 988 H ALA 656 H ALA 656 11.742 -12.709 -3.587 989 HA ALA 656 HA ALA 656 9.236 -13.808 -3.941 990 HB1 ALA 656 1HB ALA 656 9.601 -13.462 -6.352 991 HB2 ALA 656 2HB ALA 656 10.306 -12.126 -5.425 992 HB3 ALA 656 3HB ALA 656 11.355 -13.393 -6.099 993 H ILE 657 H ILE 657 12.326 -15.503 -4.646 994 HA ILE 657 HA ILE 657 11.194 -17.769 -5.892 995 HB ILE 657 HB ILE 657 13.304 -18.947 -5.244 996 HG12 ILE 657 2HG1 ILE 657 15.221 -17.652 -4.492 997 HG13 ILE 657 3HG1 ILE 657 14.225 -16.233 -4.184 998 HG21 ILE 657 1HG2 ILE 657 14.635 -17.630 -6.824 999 HG22 ILE 657 2HG2 ILE 657 12.955 -17.749 -7.359 1000 HG23 ILE 657 3HG2 ILE 657 13.544 -16.242 -6.630 1001 HD11 ILE 657 3HD1 ILE 657 13.207 -17.243 -2.289 1002 HD12 ILE 657 1HD1 ILE 657 13.765 -18.877 -2.752 1003 HD13 ILE 657 2HD1 ILE 657 14.919 -17.656 -2.172 1004 H ASP 658 H ASP 658 11.051 -16.985 -2.535 1005 HA ASP 658 HA ASP 658 9.943 -19.682 -1.872 1006 HB2 ASP 658 2HB ASP 658 11.733 -18.788 -0.421 1007 HB3 ASP 658 3HB ASP 658 10.767 -17.342 -0.111 1008 H ARG 659 H ARG 659 9.104 -16.241 -2.111 1009 HA ARG 659 HA ARG 659 6.625 -16.294 -0.773 1010 HB2 ARG 659 2HB ARG 659 8.178 -14.346 -1.851 1011 HB3 ARG 659 3HB ARG 659 6.991 -14.468 -3.141 1012 HG2 ARG 659 2HG ARG 659 6.185 -12.772 -1.716 1013 HG3 ARG 659 3HG ARG 659 5.200 -14.180 -1.289 1014 HD2 ARG 659 2HD ARG 659 6.776 -14.606 0.651 1015 HD3 ARG 659 3HD ARG 659 7.688 -13.172 0.189 1016 HE ARG 659 HE ARG 659 5.995 -11.792 1.064 1017 HH11 ARG 659 1HH1 ARG 659 4.814 -15.114 1.344 1018 HH12 ARG 659 2HH1 ARG 659 3.290 -14.536 2.009 1019 HH21 ARG 659 1HH2 ARG 659 4.227 -11.234 2.027 1020 HH22 ARG 659 2HH2 ARG 659 2.970 -12.393 2.439 1021 H LEU 660 H LEU 660 7.286 -17.104 -4.119 1022 HA LEU 660 HA LEU 660 4.492 -17.433 -4.921 1023 HB2 LEU 660 2HB LEU 660 7.204 -18.035 -6.138 1024 HB3 LEU 660 3HB LEU 660 5.745 -18.614 -6.904 1025 HG LEU 660 HG LEU 660 6.741 -16.478 -7.817 1026 HD11 LEU 660 1HD1 LEU 660 4.546 -15.378 -8.172 1027 HD12 LEU 660 2HD1 LEU 660 3.829 -16.442 -6.944 1028 HD13 LEU 660 3HD1 LEU 660 4.517 -17.116 -8.448 1029 HD21 LEU 660 3HD2 LEU 660 5.440 -15.168 -5.404 1030 HD22 LEU 660 1HD2 LEU 660 6.199 -14.352 -6.791 1031 HD23 LEU 660 2HD2 LEU 660 7.185 -15.307 -5.680 1032 H ASP 661 H ASP 661 6.609 -19.333 -3.108 1033 HA ASP 661 HA ASP 661 6.656 -21.496 -2.387 1034 HB2 ASP 661 2HB ASP 661 4.835 -20.139 -1.234 1035 HB3 ASP 661 3HB ASP 661 3.666 -21.069 -2.163 1036 H ARG 662 H ARG 662 3.917 -23.227 -2.798 1037 HA ARG 662 HA ARG 662 4.744 -24.508 -5.325 1038 HB2 ARG 662 2HB ARG 662 3.219 -26.237 -4.575 1039 HB3 ARG 662 3HB ARG 662 4.300 -25.761 -3.271 1040 HG2 ARG 662 2HG ARG 662 2.263 -24.121 -2.601 1041 HG3 ARG 662 3HG ARG 662 1.339 -25.237 -3.606 1042 HD2 ARG 662 2HD ARG 662 1.162 -25.981 -1.388 1043 HD3 ARG 662 3HD ARG 662 2.274 -27.105 -2.216 1044 HE ARG 662 HE ARG 662 3.624 -24.940 -0.778 1045 HH11 ARG 662 1HH1 ARG 662 2.189 -28.106 -0.284 1046 HH12 ARG 662 2HH1 ARG 662 3.085 -28.397 1.188 1047 HH21 ARG 662 1HH2 ARG 662 4.894 -25.465 0.986 1048 HH22 ARG 662 2HH2 ARG 662 4.551 -26.922 1.886 1049 H ILE 663 H ILE 663 2.823 -21.861 -4.761 1050 HA ILE 663 HA ILE 663 0.592 -22.573 -6.517 1051 HB ILE 663 HB ILE 663 -0.538 -20.745 -5.548 1052 HG12 ILE 663 2HG1 ILE 663 0.367 -20.342 -3.281 1053 HG13 ILE 663 3HG1 ILE 663 1.941 -20.693 -3.794 1054 HG21 ILE 663 1HG2 ILE 663 -0.643 -23.213 -4.885 1055 HG22 ILE 663 2HG2 ILE 663 0.548 -22.814 -3.616 1056 HG23 ILE 663 3HG2 ILE 663 -1.068 -22.078 -3.594 1057 HD11 ILE 663 3HD1 ILE 663 1.821 -18.784 -5.447 1058 HD12 ILE 663 1HD1 ILE 663 0.168 -18.443 -4.881 1059 HD13 ILE 663 2HD1 ILE 663 1.551 -18.243 -3.784 1060 H GLY 664 H GLY 664 3.393 -21.373 -7.197 1061 HA2 GLY 664 2HA GLY 664 3.147 -18.779 -8.137 1062 HA3 GLY 664 3HA GLY 664 4.335 -19.935 -8.756 1063 H LYS 665 H LYS 665 2.313 -21.710 -9.950 1064 HA LYS 665 HA LYS 665 1.279 -22.077 -11.958 1065 HB2 LYS 665 2HB LYS 665 -0.246 -19.783 -10.823 1066 HB3 LYS 665 3HB LYS 665 -0.831 -20.753 -12.177 1067 HG2 LYS 665 2HG LYS 665 -0.960 -22.737 -10.839 1068 HG3 LYS 665 3HG LYS 665 -0.049 -22.017 -9.517 1069 HD2 LYS 665 2HD LYS 665 -2.437 -22.183 -8.998 1070 HD3 LYS 665 3HD LYS 665 -1.840 -20.526 -8.936 1071 HE2 LYS 665 2HE LYS 665 -2.805 -20.059 -11.162 1072 HE3 LYS 665 3HE LYS 665 -3.333 -21.744 -11.308 1073 HZ1 LYS 665 3HZ LYS 665 -4.809 -21.406 -9.444 1074 HZ2 LYS 665 1HZ LYS 665 -5.119 -20.282 -10.587 1075 HZ3 LYS 665 2HZ LYS 665 -4.285 -19.866 -9.209 1076 H LYS 666 H LYS 666 3.142 -21.599 -13.285 1077 HA LYS 666 HA LYS 666 3.762 -19.195 -14.571 1078 HB2 LYS 666 2HB LYS 666 5.157 -21.167 -14.602 1079 HB3 LYS 666 3HB LYS 666 3.980 -22.059 -15.577 1080 HG2 LYS 666 2HG LYS 666 4.341 -20.506 -17.461 1081 HG3 LYS 666 3HG LYS 666 5.448 -19.549 -16.458 1082 HD2 LYS 666 2HD LYS 666 6.989 -21.473 -16.307 1083 HD3 LYS 666 3HD LYS 666 5.866 -22.454 -17.279 1084 HE2 LYS 666 2HE LYS 666 6.052 -20.800 -19.135 1085 HE3 LYS 666 3HE LYS 666 7.195 -19.852 -18.171 1086 HZ1 LYS 666 3HZ LYS 666 8.717 -21.725 -18.215 1087 HZ2 LYS 666 1HZ LYS 666 8.306 -21.314 -19.746 1088 HZ3 LYS 666 2HZ LYS 666 7.637 -22.653 -19.033 1089 H ASN 667 H ASN 667 3.109 -18.056 -16.291 1090 HA ASN 667 HA ASN 667 0.733 -18.939 -17.880 1091 HB2 ASN 667 2HB ASN 667 0.314 -16.851 -16.690 1092 HB3 ASN 667 3HB ASN 667 1.826 -16.156 -17.292 1093 HD21 ASN 667 HD21 ASN 667 1.588 -14.841 -19.098 1094 HD22 ASN 667 HD22 ASN 667 0.305 -15.073 -20.290 1095 H SER 668 H SER 668 0.962 -19.321 -19.989 1096 HA SER 668 HA SER 668 3.476 -18.542 -21.415 1097 HB2 SER 668 2HB SER 668 2.155 -21.276 -21.414 1098 HB3 SER 668 3HB SER 668 3.598 -20.798 -22.337 1099 HG SER 668 HG SER 668 4.026 -21.884 -20.297 1100 H ILE 669 H ILE 669 3.091 -19.540 -23.829 1101 HA ILE 669 HA ILE 669 1.574 -17.559 -25.072 1102 HB ILE 669 HB ILE 669 2.110 -18.718 -27.176 1103 HG12 ILE 669 2HG1 ILE 669 3.252 -20.951 -25.435 1104 HG13 ILE 669 3HG1 ILE 669 1.784 -21.068 -26.405 1105 HG21 ILE 669 1HG2 ILE 669 4.514 -18.446 -26.977 1106 HG22 ILE 669 2HG2 ILE 669 3.715 -17.233 -25.988 1107 HG23 ILE 669 3HG2 ILE 669 4.442 -18.658 -25.215 1108 HD11 ILE 669 3HD1 ILE 669 3.607 -22.120 -27.585 1109 HD12 ILE 669 1HD1 ILE 669 3.118 -20.661 -28.468 1110 HD13 ILE 669 2HD1 ILE 669 4.600 -20.670 -27.477 1111 H LEU 670 H LEU 670 -0.028 -17.651 -26.683 1112 HA LEU 670 HA LEU 670 -2.244 -19.615 -26.232 1113 HB2 LEU 670 2HB LEU 670 -2.366 -16.716 -27.150 1114 HB3 LEU 670 3HB LEU 670 -3.746 -17.798 -26.979 1115 HG LEU 670 HG LEU 670 -1.983 -16.817 -24.693 1116 HD11 LEU 670 1HD1 LEU 670 -3.421 -15.067 -25.662 1117 HD12 LEU 670 2HD1 LEU 670 -3.981 -15.533 -24.049 1118 HD13 LEU 670 3HD1 LEU 670 -4.843 -16.121 -25.487 1119 HD21 LEU 670 3HD2 LEU 670 -4.514 -18.523 -24.680 1120 HD22 LEU 670 1HD2 LEU 670 -3.762 -17.779 -23.252 1121 HD23 LEU 670 2HD2 LEU 670 -2.891 -19.028 -24.145 1122 H LEU 671 H LEU 671 -0.267 -20.517 -27.856 1123 HA LEU 671 HA LEU 671 -1.363 -20.408 -30.568 1124 HB2 LEU 671 2HB LEU 671 0.076 -18.393 -30.377 1125 HB3 LEU 671 3HB LEU 671 1.446 -19.408 -29.950 1126 HG LEU 671 HG LEU 671 1.474 -20.394 -32.177 1127 HD11 LEU 671 1HD1 LEU 671 -0.961 -18.674 -32.764 1128 HD12 LEU 671 2HD1 LEU 671 -0.894 -20.445 -32.844 1129 HD13 LEU 671 3HD1 LEU 671 0.016 -19.490 -34.000 1130 HD21 LEU 671 3HD2 LEU 671 2.657 -18.265 -31.814 1131 HD22 LEU 671 1HD2 LEU 671 1.207 -17.369 -32.314 1132 HD23 LEU 671 2HD2 LEU 671 2.067 -18.403 -33.477 1133 H HIS 672 H HIS 672 -0.399 -21.828 -32.022 1134 HA HIS 672 HA HIS 672 -0.161 -24.485 -31.132 1135 HB2 HIS 672 2HB HIS 672 -1.176 -23.574 -33.237 1136 HB3 HIS 672 3HB HIS 672 0.440 -23.217 -33.825 1137 HD1 HIS 672 1HD HIS 672 1.905 -25.349 -34.633 1138 HD2 HIS 672 2HD HIS 672 -1.921 -26.170 -33.071 1139 HE1 HIS 672 1HE HIS 672 1.412 -27.799 -35.175 Start of MODEL 9 1 H ASN 534 H ASN 534 4.956 13.261 7.123 2 HA ASN 534 HA ASN 534 7.166 12.725 5.172 3 HB2 ASN 534 2HB ASN 534 8.025 12.802 7.458 4 HB3 ASN 534 3HB ASN 534 6.793 11.666 8.003 5 HD21 ASN 534 HD21 ASN 534 9.589 11.297 8.383 6 HD22 ASN 534 HD22 ASN 534 10.014 9.841 7.484 7 H CYS 535 H CYS 535 6.695 11.262 3.693 8 HA CYS 535 HA CYS 535 4.373 9.411 4.081 9 HB2 CYS 535 2HB CYS 535 5.696 10.495 1.564 10 HB3 CYS 535 3HB CYS 535 4.433 9.244 1.594 11 HG CYS 535 HG CYS 535 4.302 12.355 2.756 12 H ARG 536 H ARG 536 7.891 9.498 3.447 13 HA ARG 536 HA ARG 536 8.058 6.764 2.583 14 HB2 ARG 536 2HB ARG 536 10.366 6.862 2.751 15 HB3 ARG 536 3HB ARG 536 9.851 8.442 2.179 16 HG2 ARG 536 2HG ARG 536 10.295 9.420 4.396 17 HG3 ARG 536 3HG ARG 536 10.685 7.813 5.055 18 HD2 ARG 536 2HD ARG 536 12.557 7.581 3.460 19 HD3 ARG 536 3HD ARG 536 12.159 9.153 2.761 20 HE ARG 536 HE ARG 536 13.006 10.277 4.656 21 HH11 ARG 536 1HH1 ARG 536 13.487 6.773 5.268 22 HH12 ARG 536 2HH1 ARG 536 14.816 7.210 6.338 23 HH21 ARG 536 1HH2 ARG 536 14.605 10.525 6.016 24 HH22 ARG 536 2HH2 ARG 536 15.385 9.112 6.761 25 H LYS 537 H LYS 537 8.083 8.101 5.889 26 HA LYS 537 HA LYS 537 8.718 5.764 7.320 27 HB2 LYS 537 2HB LYS 537 8.580 8.020 8.198 28 HB3 LYS 537 3HB LYS 537 6.826 8.061 7.966 29 HG2 LYS 537 2HG LYS 537 6.484 6.387 9.669 30 HG3 LYS 537 3HG LYS 537 8.225 6.016 9.741 31 HD2 LYS 537 2HD LYS 537 8.699 8.263 10.577 32 HD3 LYS 537 3HD LYS 537 6.971 8.689 10.476 33 HE2 LYS 537 2HE LYS 537 6.419 6.845 12.060 34 HE3 LYS 537 3HE LYS 537 8.118 6.379 12.126 35 HZ1 LYS 537 3HZ LYS 537 8.603 8.540 13.170 36 HZ2 LYS 537 1HZ LYS 537 7.528 7.708 14.044 37 HZ3 LYS 537 2HZ LYS 537 6.988 8.931 13.124 38 H LEU 538 H LEU 538 5.758 6.364 5.519 39 HA LEU 538 HA LEU 538 4.360 4.140 6.916 40 HB2 LEU 538 2HB LEU 538 3.394 5.973 4.686 41 HB3 LEU 538 3HB LEU 538 2.478 4.685 5.441 42 HG LEU 538 HG LEU 538 1.617 6.511 6.483 43 HD11 LEU 538 1HD1 LEU 538 3.876 5.941 8.440 44 HD12 LEU 538 2HD1 LEU 538 2.483 4.869 8.196 45 HD13 LEU 538 3HD1 LEU 538 2.244 6.521 8.795 46 HD21 LEU 538 3HD2 LEU 538 4.360 7.781 6.833 47 HD22 LEU 538 1HD2 LEU 538 2.799 8.459 7.312 48 HD23 LEU 538 2HD2 LEU 538 3.149 8.203 5.600 49 H VAL 539 H VAL 539 5.618 4.884 3.620 50 HA VAL 539 HA VAL 539 5.028 2.248 2.583 51 HB VAL 539 HB VAL 539 5.760 4.585 1.448 52 HG11 VAL 539 1HG1 VAL 539 7.868 4.301 0.255 53 HG12 VAL 539 2HG1 VAL 539 8.142 4.390 2.010 54 HG13 VAL 539 3HG1 VAL 539 8.214 2.824 1.170 55 HG21 VAL 539 3HG2 VAL 539 5.918 1.773 0.361 56 HG22 VAL 539 1HG2 VAL 539 4.516 2.852 0.371 57 HG23 VAL 539 2HG2 VAL 539 5.910 3.241 -0.652 58 H ALA 540 H ALA 540 7.917 3.527 4.243 59 HA ALA 540 HA ALA 540 9.439 1.108 4.187 60 HB1 ALA 540 1HB ALA 540 10.373 3.377 4.553 61 HB2 ALA 540 2HB ALA 540 9.519 3.452 6.121 62 HB3 ALA 540 3HB ALA 540 10.798 2.258 5.867 63 H SER 541 H SER 541 6.482 1.386 5.708 64 HA SER 541 HA SER 541 7.292 0.099 8.237 65 HB2 SER 541 2HB SER 541 5.110 0.365 8.973 66 HB3 SER 541 3HB SER 541 5.519 1.883 8.175 67 HG SER 541 HG SER 541 4.267 1.273 6.421 68 H MET 542 H MET 542 6.197 -0.713 5.076 69 HA MET 542 HA MET 542 5.299 -3.401 5.536 70 HB2 MET 542 2HB MET 542 6.398 -1.911 3.122 71 HB3 MET 542 3HB MET 542 5.827 -3.574 3.061 72 HG2 MET 542 2HG MET 542 3.575 -2.822 3.791 73 HG3 MET 542 3HG MET 542 4.161 -1.156 3.836 74 HE1 MET 542 3HE MET 542 3.399 -3.682 0.018 75 HE2 MET 542 1HE MET 542 4.752 -4.094 1.085 76 HE3 MET 542 2HE MET 542 3.081 -4.198 1.687 77 HA PRO 543 HA PRO 543 9.370 -5.096 6.369 78 HB2 PRO 543 2HB PRO 543 9.010 -7.742 5.720 79 HB3 PRO 543 3HB PRO 543 8.331 -6.973 7.185 80 HG2 PRO 543 2HG PRO 543 6.950 -7.470 4.536 81 HG3 PRO 543 3HG PRO 543 6.340 -7.825 6.180 82 HD2 PRO 543 2HD PRO 543 5.611 -5.581 4.842 83 HD3 PRO 543 3HD PRO 543 5.900 -5.510 6.603 84 H LEU 544 H LEU 544 7.862 -5.753 3.243 85 HA LEU 544 HA LEU 544 10.002 -6.383 1.586 86 HB2 LEU 544 2HB LEU 544 7.604 -6.450 1.134 87 HB3 LEU 544 3HB LEU 544 7.484 -4.704 1.100 88 HG LEU 544 HG LEU 544 9.305 -6.148 -0.841 89 HD11 LEU 544 1HD1 LEU 544 7.383 -6.246 -2.412 90 HD12 LEU 544 2HD1 LEU 544 6.304 -5.714 -1.086 91 HD13 LEU 544 3HD1 LEU 544 7.147 -7.271 -0.987 92 HD21 LEU 544 3HD2 LEU 544 8.726 -4.269 -2.329 93 HD22 LEU 544 1HD2 LEU 544 9.338 -3.615 -0.807 94 HD23 LEU 544 2HD2 LEU 544 7.595 -3.631 -1.123 95 H PHE 545 H PHE 545 9.254 -3.207 2.977 96 HA PHE 545 HA PHE 545 11.421 -1.883 1.419 97 HB2 PHE 545 2HB PHE 545 9.068 -0.806 2.995 98 HB3 PHE 545 3HB PHE 545 10.336 0.196 2.327 99 HD1 PHE 545 2HD PHE 545 7.640 -2.198 1.273 100 HD2 PHE 545 1HD PHE 545 10.133 1.145 0.215 101 HE1 PHE 545 2HE PHE 545 6.055 -1.588 -0.530 102 HE2 PHE 545 1HE PHE 545 8.561 1.740 -1.613 103 HZ PHE 545 HZ PHE 545 6.463 0.436 -1.901 104 H ALA 546 H ALA 546 10.919 -3.282 4.527 105 HA ALA 546 HA ALA 546 11.877 -1.317 6.266 106 HB1 ALA 546 1HB ALA 546 10.748 -3.366 6.938 107 HB2 ALA 546 2HB ALA 546 12.147 -4.325 6.381 108 HB3 ALA 546 3HB ALA 546 12.318 -3.229 7.771 109 H ASN 547 H ASN 547 13.689 -3.610 4.417 110 HA ASN 547 HA ASN 547 16.338 -2.813 5.408 111 HB2 ASN 547 2HB ASN 547 17.010 -4.710 3.852 112 HB3 ASN 547 3HB ASN 547 15.874 -5.149 5.120 113 HD21 ASN 547 HD21 ASN 547 13.666 -5.632 4.602 114 HD22 ASN 547 HD22 ASN 547 13.195 -5.948 2.948 115 H ALA 548 H ALA 548 14.307 -1.411 3.295 116 HA ALA 548 HA ALA 548 15.847 -1.210 0.893 117 HB1 ALA 548 1HB ALA 548 13.649 0.670 1.833 118 HB2 ALA 548 2HB ALA 548 14.190 0.466 0.170 119 HB3 ALA 548 3HB ALA 548 13.369 -0.879 0.992 120 H ASP 549 H ASP 549 16.840 0.526 -0.150 121 HA ASP 549 HA ASP 549 18.470 2.316 1.424 122 HB2 ASP 549 2HB ASP 549 19.125 1.338 -0.767 123 HB3 ASP 549 3HB ASP 549 17.876 2.286 -1.566 124 HA PRO 550 HA PRO 550 15.202 5.247 2.106 125 HB2 PRO 550 2HB PRO 550 16.578 7.500 2.870 126 HB3 PRO 550 3HB PRO 550 16.481 6.022 3.878 127 HG2 PRO 550 2HG PRO 550 18.669 6.743 1.878 128 HG3 PRO 550 3HG PRO 550 18.874 6.339 3.624 129 HD2 PRO 550 2HD PRO 550 19.189 4.439 1.780 130 HD3 PRO 550 3HD PRO 550 18.206 4.062 3.230 131 H ASN 551 H ASN 551 17.404 5.692 -0.473 132 HA ASN 551 HA ASN 551 16.145 8.215 -1.459 133 HB2 ASN 551 2HB ASN 551 18.516 6.670 -2.576 134 HB3 ASN 551 3HB ASN 551 17.958 8.267 -3.074 135 HD21 ASN 551 HD21 ASN 551 17.760 9.856 -1.133 136 HD22 ASN 551 HD22 ASN 551 19.061 9.807 0.066 137 H PHE 552 H PHE 552 16.620 4.800 -2.311 138 HA PHE 552 HA PHE 552 15.103 4.703 -4.737 139 HB2 PHE 552 2HB PHE 552 16.453 2.817 -4.178 140 HB3 PHE 552 3HB PHE 552 15.790 2.714 -2.563 141 HD1 PHE 552 2HD PHE 552 14.377 2.642 -6.076 142 HD2 PHE 552 1HD PHE 552 14.430 0.907 -2.132 143 HE1 PHE 552 2HE PHE 552 12.631 1.006 -6.759 144 HE2 PHE 552 1HE PHE 552 12.708 -0.743 -2.834 145 HZ PHE 552 HZ PHE 552 11.811 -0.682 -5.154 146 H VAL 553 H VAL 553 14.067 4.153 -1.334 147 HA VAL 553 HA VAL 553 11.370 3.607 -1.984 148 HB VAL 553 HB VAL 553 10.795 3.838 0.298 149 HG11 VAL 553 1HG1 VAL 553 12.364 1.980 -0.476 150 HG12 VAL 553 2HG1 VAL 553 13.685 2.950 0.230 151 HG13 VAL 553 3HG1 VAL 553 12.374 2.346 1.271 152 HG21 VAL 553 3HG2 VAL 553 12.428 4.579 2.031 153 HG22 VAL 553 1HG2 VAL 553 13.446 5.236 0.742 154 HG23 VAL 553 2HG2 VAL 553 11.834 5.928 1.035 155 H THR 554 H THR 554 12.965 6.562 -1.586 156 HA THR 554 HA THR 554 10.633 8.315 -1.250 157 HB THR 554 HB THR 554 13.605 8.916 -1.511 158 HG1 THR 554 1HG THR 554 13.525 8.285 0.453 159 HG21 THR 554 1HG2 THR 554 11.208 10.674 -0.857 160 HG22 THR 554 2HG2 THR 554 12.351 10.868 -2.209 161 HG23 THR 554 3HG2 THR 554 12.908 11.135 -0.546 162 H ALA 555 H ALA 555 13.105 7.594 -3.751 163 HA ALA 555 HA ALA 555 12.383 9.572 -5.580 164 HB1 ALA 555 1HB ALA 555 13.538 8.062 -7.238 165 HB2 ALA 555 2HB ALA 555 14.441 8.278 -5.723 166 HB3 ALA 555 3HB ALA 555 13.535 6.774 -6.016 167 H MET 556 H MET 556 10.582 6.668 -4.808 168 HA MET 556 HA MET 556 8.968 6.970 -7.304 169 HB2 MET 556 2HB MET 556 8.106 4.916 -7.005 170 HB3 MET 556 3HB MET 556 9.725 4.767 -6.318 171 HG2 MET 556 2HG MET 556 8.655 5.108 -4.026 172 HG3 MET 556 3HG MET 556 7.088 4.978 -4.856 173 HE1 MET 556 3HE MET 556 10.567 3.015 -5.354 174 HE2 MET 556 1HE MET 556 10.263 3.121 -3.603 175 HE3 MET 556 2HE MET 556 10.178 1.548 -4.422 176 H LEU 557 H LEU 557 8.821 8.423 -4.247 177 HA LEU 557 HA LEU 557 5.883 8.534 -4.107 178 HB2 LEU 557 2HB LEU 557 7.888 10.148 -2.487 179 HB3 LEU 557 3HB LEU 557 6.217 9.777 -2.076 180 HG LEU 557 HG LEU 557 8.569 7.858 -2.120 181 HD11 LEU 557 1HD1 LEU 557 8.517 9.420 -0.218 182 HD12 LEU 557 2HD1 LEU 557 8.242 7.743 0.285 183 HD13 LEU 557 3HD1 LEU 557 6.872 8.876 0.183 184 HD21 LEU 557 3HD2 LEU 557 5.675 7.288 -1.322 185 HD22 LEU 557 1HD2 LEU 557 7.049 6.171 -1.162 186 HD23 LEU 557 2HD2 LEU 557 6.492 6.642 -2.767 187 H THR 558 H THR 558 8.314 10.310 -5.744 188 HA THR 558 HA THR 558 7.649 12.995 -5.411 189 HB THR 558 HB THR 558 8.757 13.317 -7.654 190 HG1 THR 558 1HG THR 558 9.514 11.503 -8.682 191 HG21 THR 558 1HG2 THR 558 10.110 13.120 -5.567 192 HG22 THR 558 2HG2 THR 558 10.948 12.477 -6.986 193 HG23 THR 558 3HG2 THR 558 10.217 11.362 -5.815 194 H LYS 559 H LYS 559 6.076 10.703 -7.518 195 HA LYS 559 HA LYS 559 4.213 12.750 -8.640 196 HB2 LYS 559 2HB LYS 559 3.728 11.032 -10.340 197 HB3 LYS 559 3HB LYS 559 5.436 11.423 -10.291 198 HG2 LYS 559 2HG LYS 559 6.069 9.350 -9.604 199 HG3 LYS 559 3HG LYS 559 4.692 9.106 -8.544 200 HD2 LYS 559 2HD LYS 559 4.357 9.002 -11.552 201 HD3 LYS 559 3HD LYS 559 4.935 7.605 -10.634 202 HE2 LYS 559 2HE LYS 559 2.920 7.570 -9.252 203 HE3 LYS 559 3HE LYS 559 2.334 9.064 -10.018 204 HZ1 LYS 559 3HZ LYS 559 2.714 6.478 -11.437 205 HZ2 LYS 559 1HZ LYS 559 2.148 7.853 -12.130 206 HZ3 LYS 559 2HZ LYS 559 1.270 7.106 -10.986 207 H LEU 560 H LEU 560 4.121 10.777 -6.030 208 HA LEU 560 HA LEU 560 2.207 8.837 -6.492 209 HB2 LEU 560 2HB LEU 560 3.927 8.961 -4.735 210 HB3 LEU 560 3HB LEU 560 2.977 10.173 -3.862 211 HG LEU 560 HG LEU 560 1.203 8.528 -3.475 212 HD11 LEU 560 1HD1 LEU 560 1.256 7.207 -5.532 213 HD12 LEU 560 2HD1 LEU 560 1.634 6.155 -4.195 214 HD13 LEU 560 3HD1 LEU 560 2.966 6.810 -5.224 215 HD21 LEU 560 3HD2 LEU 560 3.281 8.462 -1.992 216 HD22 LEU 560 1HD2 LEU 560 3.861 7.116 -3.028 217 HD23 LEU 560 2HD2 LEU 560 2.375 6.937 -2.080 218 H LYS 561 H LYS 561 0.033 8.531 -5.870 219 HA LYS 561 HA LYS 561 -1.587 10.996 -5.699 220 HB2 LYS 561 2HB LYS 561 -1.941 8.546 -7.119 221 HB3 LYS 561 3HB LYS 561 -3.225 8.632 -5.939 222 HG2 LYS 561 2HG LYS 561 -4.215 9.777 -7.608 223 HG3 LYS 561 3HG LYS 561 -3.491 11.129 -6.778 224 HD2 LYS 561 2HD LYS 561 -2.490 9.743 -9.299 225 HD3 LYS 561 3HD LYS 561 -3.110 11.395 -9.168 226 HE2 LYS 561 2HE LYS 561 -1.144 11.976 -7.705 227 HE3 LYS 561 3HE LYS 561 -0.547 10.322 -7.920 228 HZ1 LYS 561 3HZ LYS 561 0.586 11.601 -9.443 229 HZ2 LYS 561 1HZ LYS 561 -0.776 12.391 -9.992 230 HZ3 LYS 561 2HZ LYS 561 -0.524 10.803 -10.350 231 H PHE 562 H PHE 562 -2.875 11.571 -4.284 232 HA PHE 562 HA PHE 562 -3.239 10.067 -1.710 233 HB2 PHE 562 2HB PHE 562 -2.169 11.919 -0.940 234 HB3 PHE 562 3HB PHE 562 -2.592 12.906 -2.318 235 HD1 PHE 562 2HD PHE 562 -4.769 14.053 -2.481 236 HD2 PHE 562 1HD PHE 562 -3.574 11.987 1.108 237 HE1 PHE 562 2HE PHE 562 -6.395 15.391 -1.170 238 HE2 PHE 562 1HE PHE 562 -5.140 13.377 2.423 239 HZ PHE 562 HZ PHE 562 -6.566 15.076 1.295 240 H GLU 563 H GLU 563 -5.299 9.682 -1.043 241 HA GLU 563 HA GLU 563 -7.545 10.959 -2.552 242 HB2 GLU 563 2HB GLU 563 -7.155 7.943 -2.289 243 HB3 GLU 563 3HB GLU 563 -8.690 8.715 -2.704 244 HG2 GLU 563 2HG GLU 563 -7.516 9.837 -4.643 245 HG3 GLU 563 3HG GLU 563 -6.139 8.756 -4.346 246 H VAL 564 H VAL 564 -9.510 11.030 -1.543 247 HA VAL 564 HA VAL 564 -9.561 10.178 1.330 248 HB VAL 564 HB VAL 564 -10.935 12.574 0.085 249 HG11 VAL 564 1HG1 VAL 564 -10.683 11.828 3.005 250 HG12 VAL 564 2HG1 VAL 564 -11.403 13.271 2.241 251 HG13 VAL 564 3HG1 VAL 564 -12.177 11.730 2.022 252 HG21 VAL 564 3HG2 VAL 564 -8.403 12.323 1.746 253 HG22 VAL 564 1HG2 VAL 564 -8.585 13.073 0.154 254 HG23 VAL 564 2HG2 VAL 564 -9.316 13.850 1.590 255 H PHE 565 H PHE 565 -11.371 9.356 2.196 256 HA PHE 565 HA PHE 565 -13.776 8.901 0.472 257 HB2 PHE 565 2HB PHE 565 -12.475 6.915 2.365 258 HB3 PHE 565 3HB PHE 565 -14.108 6.753 1.746 259 HD1 PHE 565 2HD PHE 565 -10.505 6.884 0.680 260 HD2 PHE 565 1HD PHE 565 -14.554 5.841 -0.394 261 HE1 PHE 565 2HE PHE 565 -9.673 5.569 -1.263 262 HE2 PHE 565 1HE PHE 565 -13.707 4.527 -2.320 263 HZ PHE 565 HZ PHE 565 -11.256 4.336 -2.708 264 H GLN 566 H GLN 566 -15.758 8.924 1.561 265 HA GLN 566 HA GLN 566 -15.832 10.518 4.080 266 HB2 GLN 566 2HB GLN 566 -17.828 9.770 1.911 267 HB3 GLN 566 3HB GLN 566 -18.346 10.479 3.410 268 HG2 GLN 566 2HG GLN 566 -18.315 12.177 1.791 269 HG3 GLN 566 3HG GLN 566 -17.084 12.506 3.000 270 HE21 GLN 566 HE21 GLN 566 -14.842 12.443 2.373 271 HE22 GLN 566 HE22 GLN 566 -14.426 12.273 0.676 272 HA PRO 567 HA PRO 567 -17.029 7.262 6.763 273 HB2 PRO 567 2HB PRO 567 -19.618 8.553 7.526 274 HB3 PRO 567 3HB PRO 567 -18.246 8.095 8.560 275 HG2 PRO 567 2HG PRO 567 -18.802 10.698 7.881 276 HG3 PRO 567 3HG PRO 567 -17.127 10.128 8.090 277 HD2 PRO 567 2HD PRO 567 -18.671 10.563 5.560 278 HD3 PRO 567 3HD PRO 567 -16.952 10.911 5.907 279 H GLY 568 H GLY 568 -17.805 5.240 6.233 280 HA2 GLY 568 2HA GLY 568 -19.617 3.725 6.245 281 HA3 GLY 568 3HA GLY 568 -20.649 4.916 5.456 282 H ASP 569 H ASP 569 -17.830 5.207 3.743 283 HA ASP 569 HA ASP 569 -18.971 3.589 1.634 284 HB2 ASP 569 2HB ASP 569 -18.620 6.022 1.380 285 HB3 ASP 569 3HB ASP 569 -16.882 5.782 1.553 286 H TYR 570 H TYR 570 -17.826 2.204 0.327 287 HA TYR 570 HA TYR 570 -15.808 0.563 1.668 288 HB2 TYR 570 2HB TYR 570 -17.211 0.371 -1.000 289 HB3 TYR 570 3HB TYR 570 -15.902 -0.704 -0.554 290 HD1 TYR 570 HD2 TYR 570 -16.100 -2.317 1.291 291 HD2 TYR 570 HD1 TYR 570 -19.447 0.103 0.054 292 HE1 TYR 570 HE2 TYR 570 -17.664 -3.883 2.441 293 HE2 TYR 570 HE1 TYR 570 -21.006 -1.462 1.200 294 HH TYR 570 HH TYR 570 -21.217 -3.421 2.390 295 H ILE 571 H ILE 571 -13.663 0.809 1.589 296 HA ILE 571 HA ILE 571 -12.646 3.012 -0.030 297 HB ILE 571 HB ILE 571 -10.553 2.733 1.309 298 HG12 ILE 571 2HG1 ILE 571 -10.817 1.744 3.603 299 HG13 ILE 571 3HG1 ILE 571 -12.235 0.863 3.042 300 HG21 ILE 571 1HG2 ILE 571 -13.115 3.153 2.866 301 HG22 ILE 571 2HG2 ILE 571 -11.499 3.819 3.235 302 HG23 ILE 571 3HG2 ILE 571 -12.361 4.344 1.780 303 HD11 ILE 571 3HD1 ILE 571 -10.056 -0.401 3.079 304 HD12 ILE 571 1HD1 ILE 571 -10.885 -0.384 1.504 305 HD13 ILE 571 2HD1 ILE 571 -9.473 0.680 1.804 306 H ILE 572 H ILE 572 -12.337 -0.395 -0.353 307 HA ILE 572 HA ILE 572 -10.107 -0.098 -2.266 308 HB ILE 572 HB ILE 572 -11.109 -2.087 -0.277 309 HG12 ILE 572 2HG1 ILE 572 -8.334 -1.281 -1.216 310 HG13 ILE 572 3HG1 ILE 572 -9.255 -0.268 -0.190 311 HG21 ILE 572 1HG2 ILE 572 -11.040 -3.502 -2.357 312 HG22 ILE 572 2HG2 ILE 572 -9.312 -3.091 -2.495 313 HG23 ILE 572 3HG2 ILE 572 -9.922 -3.961 -1.069 314 HD11 ILE 572 3HD1 ILE 572 -7.999 -1.312 1.338 315 HD12 ILE 572 1HD1 ILE 572 -9.474 -2.232 1.432 316 HD13 ILE 572 2HD1 ILE 572 -8.083 -2.935 0.548 317 H ARG 573 H ARG 573 -9.854 -1.461 -4.012 318 HA ARG 573 HA ARG 573 -12.251 -2.441 -5.373 319 HB2 ARG 573 2HB ARG 573 -10.186 -0.584 -6.679 320 HB3 ARG 573 3HB ARG 573 -11.500 -1.394 -7.530 321 HG2 ARG 573 2HG ARG 573 -13.163 -0.160 -6.122 322 HG3 ARG 573 3HG ARG 573 -11.820 0.745 -5.388 323 HD2 ARG 573 2HD ARG 573 -11.150 1.536 -7.670 324 HD3 ARG 573 3HD ARG 573 -12.528 0.671 -8.346 325 HE ARG 573 HE ARG 573 -14.002 2.265 -7.495 326 HH11 ARG 573 1HH1 ARG 573 -10.832 3.008 -6.130 327 HH12 ARG 573 2HH1 ARG 573 -11.363 4.590 -5.600 328 HH21 ARG 573 1HH2 ARG 573 -14.479 4.325 -7.023 329 HH22 ARG 573 2HH2 ARG 573 -13.434 5.271 -5.968 330 H GLU 574 H GLU 574 -11.487 -3.499 -7.523 331 HA GLU 574 HA GLU 574 -10.620 -5.978 -6.927 332 HB2 GLU 574 2HB GLU 574 -11.741 -4.992 -9.008 333 HB3 GLU 574 3HB GLU 574 -10.119 -4.757 -9.624 334 HG2 GLU 574 2HG GLU 574 -11.126 -6.789 -10.513 335 HG3 GLU 574 3HG GLU 574 -9.746 -7.205 -9.503 336 H GLY 575 H GLY 575 -8.928 -7.437 -7.320 337 HA2 GLY 575 2HA GLY 575 -6.187 -6.260 -7.271 338 HA3 GLY 575 3HA GLY 575 -6.687 -7.623 -6.269 339 H THR 576 H THR 576 -7.795 -7.193 -9.606 340 HA THR 576 HA THR 576 -6.672 -9.596 -10.703 341 HB THR 576 HB THR 576 -7.004 -8.203 -12.904 342 HG1 THR 576 1HG THR 576 -7.781 -6.360 -12.680 343 HG21 THR 576 1HG2 THR 576 -8.502 -10.029 -12.243 344 HG22 THR 576 2HG2 THR 576 -9.415 -8.664 -12.905 345 HG23 THR 576 3HG2 THR 576 -9.376 -8.925 -11.148 346 H ILE 577 H ILE 577 -4.978 -9.711 -12.314 347 HA ILE 577 HA ILE 577 -2.752 -9.005 -10.748 348 HB ILE 577 HB ILE 577 -2.934 -10.341 -13.458 349 HG12 ILE 577 2HG1 ILE 577 -2.154 -12.338 -12.104 350 HG13 ILE 577 3HG1 ILE 577 -2.228 -11.355 -10.656 351 HG21 ILE 577 1HG2 ILE 577 -0.541 -10.914 -13.224 352 HG22 ILE 577 2HG2 ILE 577 -0.748 -9.161 -13.348 353 HG23 ILE 577 3HG2 ILE 577 -0.433 -9.905 -11.765 354 HD11 ILE 577 3HD1 ILE 577 -4.629 -11.316 -10.733 355 HD12 ILE 577 1HD1 ILE 577 -4.646 -11.893 -12.422 356 HD13 ILE 577 2HD1 ILE 577 -4.163 -12.975 -11.128 357 H GLY 578 H GLY 578 -1.530 -7.264 -10.651 358 HA2 GLY 578 2HA GLY 578 -0.011 -5.703 -11.587 359 HA3 GLY 578 3HA GLY 578 -0.993 -5.627 -13.050 360 H LYS 579 H LYS 579 -3.214 -5.520 -10.559 361 HA LYS 579 HA LYS 579 -3.587 -2.676 -10.621 362 HB2 LYS 579 2HB LYS 579 -4.940 -4.921 -9.081 363 HB3 LYS 579 3HB LYS 579 -5.334 -3.236 -8.788 364 HG2 LYS 579 2HG LYS 579 -5.723 -2.973 -11.286 365 HG3 LYS 579 3HG LYS 579 -5.676 -4.731 -11.406 366 HD2 LYS 579 2HD LYS 579 -7.651 -4.910 -9.889 367 HD3 LYS 579 3HD LYS 579 -7.629 -3.181 -9.616 368 HE2 LYS 579 2HE LYS 579 -8.077 -4.510 -12.322 369 HE3 LYS 579 3HE LYS 579 -9.345 -3.888 -11.269 370 HZ1 LYS 579 3HZ LYS 579 -7.250 -2.263 -12.597 371 HZ2 LYS 579 1HZ LYS 579 -8.348 -1.687 -11.493 372 HZ3 LYS 579 2HZ LYS 579 -8.854 -2.281 -12.935 373 H LYS 580 H LYS 580 -4.020 -1.437 -8.543 374 HA LYS 580 HA LYS 580 -1.379 -0.915 -7.475 375 HB2 LYS 580 2HB LYS 580 -4.071 0.449 -7.046 376 HB3 LYS 580 3HB LYS 580 -2.516 1.108 -6.551 377 HG2 LYS 580 2HG LYS 580 -1.797 1.052 -8.982 378 HG3 LYS 580 3HG LYS 580 -3.453 0.675 -9.417 379 HD2 LYS 580 2HD LYS 580 -2.511 3.064 -7.790 380 HD3 LYS 580 3HD LYS 580 -2.956 3.130 -9.509 381 HE2 LYS 580 2HE LYS 580 -4.790 2.590 -7.130 382 HE3 LYS 580 3HE LYS 580 -4.776 4.022 -8.163 383 HZ1 LYS 580 3HZ LYS 580 -5.543 1.285 -9.024 384 HZ2 LYS 580 1HZ LYS 580 -5.462 2.589 -10.023 385 HZ3 LYS 580 2HZ LYS 580 -6.565 2.546 -8.820 386 H MET 581 H MET 581 -1.085 -0.047 -5.290 387 HA MET 581 HA MET 581 -2.310 -1.750 -3.164 388 HB2 MET 581 2HB MET 581 0.008 -2.321 -3.680 389 HB3 MET 581 3HB MET 581 0.523 -0.655 -3.412 390 HG2 MET 581 2HG MET 581 -0.879 -2.222 -1.239 391 HG3 MET 581 3HG MET 581 0.838 -2.469 -1.565 392 HE1 MET 581 3HE MET 581 1.065 -1.954 1.104 393 HE2 MET 581 1HE MET 581 0.685 -0.357 1.802 394 HE3 MET 581 2HE MET 581 -0.623 -1.431 1.252 395 H TYR 582 H TYR 582 -2.732 -0.786 -1.128 396 HA TYR 582 HA TYR 582 -2.986 2.177 -1.135 397 HB2 TYR 582 2HB TYR 582 -5.216 0.312 -0.287 398 HB3 TYR 582 3HB TYR 582 -5.275 2.055 -0.465 399 HD1 TYR 582 HD1 TYR 582 -5.316 3.082 -2.759 400 HD2 TYR 582 HD2 TYR 582 -5.492 -1.184 -2.154 401 HE1 TYR 582 HE1 TYR 582 -6.213 2.786 -5.063 402 HE2 TYR 582 HE2 TYR 582 -6.337 -1.480 -4.463 403 HH TYR 582 HH TYR 582 -6.857 -0.458 -6.438 404 H PHE 583 H PHE 583 -2.937 3.223 0.813 405 HA PHE 583 HA PHE 583 -2.850 1.730 3.331 406 HB2 PHE 583 2HB PHE 583 -0.631 2.321 3.975 407 HB3 PHE 583 3HB PHE 583 -0.582 1.485 2.466 408 HD1 PHE 583 1HD PHE 583 -0.226 4.869 4.012 409 HD2 PHE 583 2HD PHE 583 0.431 2.421 0.523 410 HE1 PHE 583 1HE PHE 583 1.397 6.536 3.140 411 HE2 PHE 583 2HE PHE 583 2.062 4.078 -0.332 412 HZ PHE 583 HZ PHE 583 2.596 6.110 0.997 413 H ILE 584 H ILE 584 -2.672 3.116 5.280 414 HA ILE 584 HA ILE 584 -4.618 5.272 4.812 415 HB ILE 584 HB ILE 584 -3.924 3.859 7.426 416 HG12 ILE 584 2HG1 ILE 584 -6.012 3.147 5.315 417 HG13 ILE 584 3HG1 ILE 584 -4.613 2.187 5.768 418 HG21 ILE 584 1HG2 ILE 584 -6.120 4.715 8.148 419 HG22 ILE 584 2HG2 ILE 584 -5.189 6.085 7.553 420 HG23 ILE 584 3HG2 ILE 584 -6.458 5.372 6.541 421 HD11 ILE 584 3HD1 ILE 584 -7.140 2.618 7.306 422 HD12 ILE 584 1HD1 ILE 584 -6.269 1.116 6.877 423 HD13 ILE 584 2HD1 ILE 584 -5.642 2.189 8.150 424 H GLN 585 H GLN 585 -4.070 7.364 4.815 425 HA GLN 585 HA GLN 585 -1.495 8.253 5.934 426 HB2 GLN 585 2HB GLN 585 -2.450 9.142 3.759 427 HB3 GLN 585 3HB GLN 585 -3.733 9.887 4.676 428 HG2 GLN 585 2HG GLN 585 -1.745 11.034 6.025 429 HG3 GLN 585 3HG GLN 585 -0.799 10.610 4.605 430 HE21 GLN 585 HE21 GLN 585 -3.440 12.621 5.865 431 HE22 GLN 585 HE22 GLN 585 -3.566 13.668 4.468 432 H HIS 586 H HIS 586 -4.979 9.022 6.512 433 HA HIS 586 HA HIS 586 -4.518 9.259 9.380 434 HB2 HIS 586 2HB HIS 586 -3.694 11.459 8.479 435 HB3 HIS 586 3HB HIS 586 -5.316 11.771 7.868 436 HD1 HIS 586 1HD HIS 586 -6.462 13.418 9.527 437 HD2 HIS 586 2HD HIS 586 -3.868 10.661 11.368 438 HE1 HIS 586 1HE HIS 586 -6.584 13.875 12.021 439 H GLY 587 H GLY 587 -6.287 8.195 10.186 440 HA2 GLY 587 2HA GLY 587 -8.751 9.134 10.521 441 HA3 GLY 587 3HA GLY 587 -8.935 8.403 8.934 442 H VAL 588 H VAL 588 -10.415 6.894 9.838 443 HA VAL 588 HA VAL 588 -9.170 4.528 11.038 444 HB VAL 588 HB VAL 588 -11.697 5.807 12.177 445 HG11 VAL 588 1HG1 VAL 588 -11.931 3.372 12.245 446 HG12 VAL 588 2HG1 VAL 588 -10.312 3.212 12.974 447 HG13 VAL 588 3HG1 VAL 588 -11.633 3.991 13.861 448 HG21 VAL 588 3HG2 VAL 588 -10.427 5.935 14.292 449 HG22 VAL 588 1HG2 VAL 588 -8.968 5.363 13.457 450 HG23 VAL 588 2HG2 VAL 588 -9.697 6.935 13.045 451 H VAL 589 H VAL 589 -10.136 2.611 10.359 452 HA VAL 589 HA VAL 589 -12.511 2.757 8.551 453 HB VAL 589 HB VAL 589 -11.545 1.183 7.001 454 HG11 VAL 589 1HG1 VAL 589 -9.989 2.620 5.868 455 HG12 VAL 589 2HG1 VAL 589 -11.191 3.651 6.651 456 HG13 VAL 589 3HG1 VAL 589 -9.581 3.476 7.366 457 HG21 VAL 589 3HG2 VAL 589 -9.127 0.604 7.073 458 HG22 VAL 589 1HG2 VAL 589 -9.016 1.347 8.676 459 HG23 VAL 589 2HG2 VAL 589 -10.034 -0.092 8.412 460 H SER 590 H SER 590 -13.740 0.882 8.392 461 HA SER 590 HA SER 590 -13.565 -1.004 10.735 462 HB2 SER 590 2HB SER 590 -16.053 0.105 9.325 463 HB3 SER 590 3HB SER 590 -16.032 -1.063 10.664 464 HG SER 590 HG SER 590 -16.372 1.025 11.435 465 H VAL 591 H VAL 591 -13.473 -3.030 10.208 466 HA VAL 591 HA VAL 591 -13.071 -3.631 7.337 467 HB VAL 591 HB VAL 591 -11.186 -2.446 8.299 468 HG11 VAL 591 1HG1 VAL 591 -10.085 -3.340 10.430 469 HG12 VAL 591 2HG1 VAL 591 -11.640 -2.583 10.596 470 HG13 VAL 591 3HG1 VAL 591 -11.515 -4.402 10.568 471 HG21 VAL 591 3HG2 VAL 591 -10.512 -4.630 7.223 472 HG22 VAL 591 1HG2 VAL 591 -9.440 -3.899 8.469 473 HG23 VAL 591 2HG2 VAL 591 -10.475 -5.282 8.923 474 H LEU 592 H LEU 592 -12.822 -5.867 6.840 475 HA LEU 592 HA LEU 592 -13.173 -7.702 9.206 476 HB2 LEU 592 2HB LEU 592 -14.088 -8.315 6.365 477 HB3 LEU 592 3HB LEU 592 -14.219 -9.362 7.746 478 HG LEU 592 HG LEU 592 -16.345 -8.625 7.144 479 HD11 LEU 592 1HD1 LEU 592 -15.876 -8.754 9.591 480 HD12 LEU 592 2HD1 LEU 592 -17.240 -7.712 9.160 481 HD13 LEU 592 3HD1 LEU 592 -15.688 -6.980 9.593 482 HD21 LEU 592 3HD2 LEU 592 -15.650 -5.700 7.494 483 HD22 LEU 592 1HD2 LEU 592 -17.187 -6.417 6.994 484 HD23 LEU 592 2HD2 LEU 592 -15.779 -6.544 5.933 485 H THR 593 H THR 593 -11.438 -9.079 9.572 486 HA THR 593 HA THR 593 -9.644 -9.488 7.205 487 HB THR 593 HB THR 593 -8.229 -10.774 9.002 488 HG1 THR 593 1HG THR 593 -8.261 -9.561 10.904 489 HG21 THR 593 1HG2 THR 593 -8.438 -7.761 8.615 490 HG22 THR 593 2HG2 THR 593 -7.515 -8.898 7.611 491 HG23 THR 593 3HG2 THR 593 -7.016 -8.623 9.278 492 H LYS 594 H LYS 594 -8.874 -11.516 6.507 493 HA LYS 594 HA LYS 594 -11.423 -12.541 5.646 494 HB2 LYS 594 2HB LYS 594 -10.228 -13.440 3.750 495 HB3 LYS 594 3HB LYS 594 -9.885 -11.749 4.023 496 HG2 LYS 594 2HG LYS 594 -7.913 -13.660 5.235 497 HG3 LYS 594 3HG LYS 594 -8.042 -13.696 3.478 498 HD2 LYS 594 2HD LYS 594 -7.681 -11.200 3.423 499 HD3 LYS 594 3HD LYS 594 -7.412 -11.238 5.160 500 HE2 LYS 594 2HE LYS 594 -5.258 -11.241 4.181 501 HE3 LYS 594 3HE LYS 594 -5.519 -12.893 4.752 502 HZ1 LYS 594 3HZ LYS 594 -4.587 -12.780 2.469 503 HZ2 LYS 594 1HZ LYS 594 -5.934 -11.991 1.955 504 HZ3 LYS 594 2HZ LYS 594 -6.026 -13.551 2.478 505 H GLY 595 H GLY 595 -9.068 -14.061 7.634 506 HA2 GLY 595 2HA GLY 595 -10.473 -16.696 7.543 507 HA3 GLY 595 3HA GLY 595 -9.050 -16.222 8.512 508 H ASN 596 H ASN 596 -10.885 -13.628 8.917 509 HA ASN 596 HA ASN 596 -10.967 -14.614 11.697 510 HB2 ASN 596 2HB ASN 596 -10.196 -11.807 11.028 511 HB3 ASN 596 3HB ASN 596 -9.678 -12.842 12.275 512 HD21 ASN 596 HD21 ASN 596 -7.532 -12.249 12.097 513 HD22 ASN 596 HD22 ASN 596 -6.560 -12.900 10.778 514 H LYS 597 H LYS 597 -11.487 -11.887 12.638 515 HA LYS 597 HA LYS 597 -14.436 -11.727 12.292 516 HB2 LYS 597 2HB LYS 597 -12.689 -10.841 14.641 517 HB3 LYS 597 3HB LYS 597 -14.420 -10.702 14.563 518 HG2 LYS 597 2HG LYS 597 -13.957 -12.470 16.010 519 HG3 LYS 597 3HG LYS 597 -14.658 -13.168 14.562 520 HD2 LYS 597 2HD LYS 597 -12.803 -14.454 15.675 521 HD3 LYS 597 3HD LYS 597 -12.590 -14.192 13.951 522 HE2 LYS 597 2HE LYS 597 -10.863 -12.598 14.250 523 HE3 LYS 597 3HE LYS 597 -11.307 -12.305 15.947 524 HZ1 LYS 597 3HZ LYS 597 -10.181 -14.870 14.954 525 HZ2 LYS 597 1HZ LYS 597 -10.494 -14.511 16.517 526 HZ3 LYS 597 2HZ LYS 597 -9.311 -13.708 15.740 527 H GLU 598 H GLU 598 -15.264 -9.556 12.932 528 HA GLU 598 HA GLU 598 -14.256 -7.513 11.193 529 HB2 GLU 598 2HB GLU 598 -15.833 -6.050 12.287 530 HB3 GLU 598 3HB GLU 598 -16.593 -7.613 11.979 531 HG2 GLU 598 2HG GLU 598 -16.201 -8.240 14.389 532 HG3 GLU 598 3HG GLU 598 -15.478 -6.653 14.660 533 H MET 599 H MET 599 -12.974 -5.747 11.560 534 HA MET 599 HA MET 599 -12.121 -5.110 14.297 535 HB2 MET 599 2HB MET 599 -10.174 -5.077 12.039 536 HB3 MET 599 3HB MET 599 -9.868 -4.644 13.706 537 HG2 MET 599 2HG MET 599 -10.280 -6.953 14.422 538 HG3 MET 599 3HG MET 599 -10.635 -7.424 12.757 539 HE1 MET 599 3HE MET 599 -8.181 -5.539 11.244 540 HE2 MET 599 1HE MET 599 -7.369 -7.063 10.858 541 HE3 MET 599 2HE MET 599 -9.166 -6.954 10.832 542 H LYS 600 H LYS 600 -11.138 -2.912 14.416 543 HA LYS 600 HA LYS 600 -11.619 -1.276 12.069 544 HB2 LYS 600 2HB LYS 600 -11.278 -0.622 15.041 545 HB3 LYS 600 3HB LYS 600 -10.515 0.482 13.930 546 HG2 LYS 600 2HG LYS 600 -12.674 1.253 14.714 547 HG3 LYS 600 3HG LYS 600 -12.518 1.162 12.957 548 HD2 LYS 600 2HD LYS 600 -14.723 0.526 13.627 549 HD3 LYS 600 3HD LYS 600 -13.869 -0.839 12.892 550 HE2 LYS 600 2HE LYS 600 -13.515 -1.852 15.096 551 HE3 LYS 600 3HE LYS 600 -14.119 -0.397 15.901 552 HZ1 LYS 600 3HZ LYS 600 -16.282 -0.784 15.043 553 HZ2 LYS 600 1HZ LYS 600 -15.803 -2.216 15.703 554 HZ3 LYS 600 2HZ LYS 600 -15.791 -2.036 14.084 555 H LEU 601 H LEU 601 -9.966 0.043 11.423 556 HA LEU 601 HA LEU 601 -7.159 -0.668 12.151 557 HB2 LEU 601 2HB LEU 601 -8.395 -1.042 9.527 558 HB3 LEU 601 3HB LEU 601 -7.143 0.190 9.438 559 HG LEU 601 HG LEU 601 -5.518 -1.444 10.416 560 HD11 LEU 601 1HD1 LEU 601 -7.863 -3.340 10.026 561 HD12 LEU 601 2HD1 LEU 601 -7.037 -2.982 11.560 562 HD13 LEU 601 3HD1 LEU 601 -6.187 -3.862 10.284 563 HD21 LEU 601 3HD2 LEU 601 -6.983 -2.373 7.895 564 HD22 LEU 601 1HD2 LEU 601 -5.295 -2.714 8.326 565 HD23 LEU 601 2HD2 LEU 601 -5.788 -1.062 7.948 566 H SER 602 H SER 602 -5.692 1.077 11.979 567 HA SER 602 HA SER 602 -6.901 3.820 12.019 568 HB2 SER 602 2HB SER 602 -5.250 4.281 13.865 569 HB3 SER 602 3HB SER 602 -6.501 3.105 14.294 570 HG SER 602 HG SER 602 -4.128 2.608 14.750 571 H ASP 603 H ASP 603 -5.023 5.505 12.074 572 HA ASP 603 HA ASP 603 -3.886 5.444 9.488 573 HB2 ASP 603 2HB ASP 603 -2.917 7.550 10.000 574 HB3 ASP 603 3HB ASP 603 -4.548 7.474 10.660 575 H GLY 604 H GLY 604 -1.848 5.239 8.639 576 HA2 GLY 604 2HA GLY 604 0.320 4.465 8.492 577 HA3 GLY 604 3HA GLY 604 0.368 4.160 10.232 578 H SER 605 H SER 605 -2.399 2.629 9.407 579 HA SER 605 HA SER 605 -1.248 -0.037 8.981 580 HB2 SER 605 2HB SER 605 -4.096 0.966 8.808 581 HB3 SER 605 3HB SER 605 -3.597 -0.736 8.836 582 HG SER 605 HG SER 605 -3.430 1.207 10.870 583 H TYR 606 H TYR 606 -1.951 -1.390 7.121 584 HA TYR 606 HA TYR 606 -2.592 0.064 4.632 585 HB2 TYR 606 2HB TYR 606 -0.762 -0.796 3.406 586 HB3 TYR 606 3HB TYR 606 -0.154 0.130 4.756 587 HD1 TYR 606 HD2 TYR 606 -0.453 -3.264 3.296 588 HD2 TYR 606 HD1 TYR 606 1.159 -0.899 6.522 589 HE1 TYR 606 HE2 TYR 606 1.052 -5.126 3.897 590 HE2 TYR 606 HE1 TYR 606 2.675 -2.778 7.134 591 HH TYR 606 HH TYR 606 2.628 -5.917 5.395 592 H PHE 607 H PHE 607 -3.060 -1.341 2.770 593 HA PHE 607 HA PHE 607 -4.772 -3.525 3.813 594 HB2 PHE 607 2HB PHE 607 -4.967 -1.763 1.362 595 HB3 PHE 607 3HB PHE 607 -6.152 -2.954 1.866 596 HD1 PHE 607 1HD PHE 607 -7.009 -2.724 4.388 597 HD2 PHE 607 2HD PHE 607 -5.435 0.467 1.958 598 HE1 PHE 607 1HE PHE 607 -8.363 -1.085 5.650 599 HE2 PHE 607 2HE PHE 607 -6.826 2.096 3.187 600 HZ PHE 607 HZ PHE 607 -8.286 1.335 5.042 601 H GLY 608 H GLY 608 -5.449 -5.265 2.668 602 HA2 GLY 608 2HA GLY 608 -5.932 -6.468 0.815 603 HA3 GLY 608 3HA GLY 608 -4.809 -5.480 -0.101 604 H GLU 609 H GLU 609 -3.112 -6.891 2.451 605 HA GLU 609 HA GLU 609 -1.335 -8.271 2.483 606 HB2 GLU 609 2HB GLU 609 -3.314 -9.804 2.590 607 HB3 GLU 609 3HB GLU 609 -3.045 -10.185 0.891 608 HG2 GLU 609 2HG GLU 609 -0.917 -11.212 1.386 609 HG3 GLU 609 3HG GLU 609 -0.962 -10.619 3.059 610 H ILE 610 H ILE 610 -2.067 -6.908 -0.405 611 HA ILE 610 HA ILE 610 -0.630 -8.173 -2.387 612 HB ILE 610 HB ILE 610 -0.822 -5.146 -2.199 613 HG12 ILE 610 2HG1 ILE 610 -2.975 -7.053 -3.069 614 HG13 ILE 610 3HG1 ILE 610 -3.032 -5.980 -1.667 615 HG21 ILE 610 1HG2 ILE 610 0.540 -6.200 -4.070 616 HG22 ILE 610 2HG2 ILE 610 -0.938 -7.041 -4.587 617 HG23 ILE 610 3HG2 ILE 610 -0.840 -5.270 -4.636 618 HD11 ILE 610 3HD1 ILE 610 -3.109 -5.131 -4.574 619 HD12 ILE 610 1HD1 ILE 610 -4.383 -5.000 -3.355 620 HD13 ILE 610 2HD1 ILE 610 -2.917 -4.013 -3.198 621 H CYS 611 H CYS 611 1.340 -8.886 -2.240 622 HA CYS 611 HA CYS 611 3.656 -7.182 -1.492 623 HB2 CYS 611 2HB CYS 611 3.650 -9.440 -0.631 624 HB3 CYS 611 3HB CYS 611 3.288 -10.118 -2.223 625 HG CYS 611 HG CYS 611 5.676 -10.773 -1.835 626 H LEU 612 H LEU 612 5.181 -6.482 -3.086 627 HA LEU 612 HA LEU 612 4.178 -6.301 -5.851 628 HB2 LEU 612 2HB LEU 612 6.745 -5.353 -4.538 629 HB3 LEU 612 3HB LEU 612 6.364 -5.190 -6.246 630 HG LEU 612 HG LEU 612 4.022 -4.212 -5.220 631 HD11 LEU 612 1HD1 LEU 612 4.721 -4.322 -2.847 632 HD12 LEU 612 2HD1 LEU 612 4.559 -2.647 -3.386 633 HD13 LEU 612 3HD1 LEU 612 6.174 -3.367 -3.227 634 HD21 LEU 612 3HD2 LEU 612 4.854 -2.024 -5.765 635 HD22 LEU 612 1HD2 LEU 612 5.613 -3.195 -6.867 636 HD23 LEU 612 2HD2 LEU 612 6.525 -2.581 -5.480 637 H LEU 613 H LEU 613 5.715 -8.761 -4.212 638 HA LEU 613 HA LEU 613 6.439 -10.148 -6.746 639 HB2 LEU 613 2HB LEU 613 7.533 -10.819 -3.982 640 HB3 LEU 613 3HB LEU 613 7.955 -11.539 -5.531 641 HG LEU 613 HG LEU 613 8.590 -9.019 -6.156 642 HD11 LEU 613 1HD1 LEU 613 7.906 -8.101 -3.910 643 HD12 LEU 613 2HD1 LEU 613 9.608 -7.828 -4.279 644 HD13 LEU 613 3HD1 LEU 613 9.129 -9.116 -3.147 645 HD21 LEU 613 3HD2 LEU 613 10.349 -10.842 -4.449 646 HD22 LEU 613 1HD2 LEU 613 10.926 -9.519 -5.490 647 HD23 LEU 613 2HD2 LEU 613 10.146 -10.928 -6.215 648 H THR 614 H THR 614 3.860 -9.723 -5.199 649 HA THR 614 HA THR 614 2.925 -12.318 -4.381 650 HB THR 614 HB THR 614 1.784 -10.123 -3.904 651 HG1 THR 614 1HG THR 614 0.833 -12.336 -3.754 652 HG21 THR 614 1HG2 THR 614 0.366 -10.548 -6.570 653 HG22 THR 614 2HG2 THR 614 1.657 -9.349 -6.364 654 HG23 THR 614 3HG2 THR 614 0.166 -9.218 -5.414 655 H ARG 615 H ARG 615 1.190 -13.532 -5.463 656 HA ARG 615 HA ARG 615 1.533 -13.792 -8.416 657 HB2 ARG 615 2HB ARG 615 2.811 -15.495 -6.983 658 HB3 ARG 615 3HB ARG 615 1.233 -16.142 -6.512 659 HG2 ARG 615 2HG ARG 615 0.743 -16.611 -8.920 660 HG3 ARG 615 3HG ARG 615 2.292 -15.874 -9.364 661 HD2 ARG 615 2HD ARG 615 2.690 -18.196 -9.385 662 HD3 ARG 615 3HD ARG 615 3.447 -17.614 -7.912 663 HE ARG 615 HE ARG 615 1.488 -18.484 -6.637 664 HH11 ARG 615 1HH1 ARG 615 1.915 -19.948 -9.847 665 HH12 ARG 615 2HH1 ARG 615 0.575 -21.026 -9.559 666 HH21 ARG 615 1HH2 ARG 615 0.168 -20.049 -6.279 667 HH22 ARG 615 2HH2 ARG 615 -0.234 -21.245 -7.518 668 H GLY 616 H GLY 616 -0.287 -13.834 -9.533 669 HA2 GLY 616 2HA GLY 616 -2.498 -14.066 -10.108 670 HA3 GLY 616 3HA GLY 616 -2.722 -15.054 -8.676 671 H ARG 617 H ARG 617 -4.802 -14.130 -8.682 672 HA ARG 617 HA ARG 617 -5.616 -11.413 -8.285 673 HB2 ARG 617 2HB ARG 617 -6.858 -13.959 -7.176 674 HB3 ARG 617 3HB ARG 617 -7.663 -12.404 -7.344 675 HG2 ARG 617 2HG ARG 617 -6.631 -14.096 -9.661 676 HG3 ARG 617 3HG ARG 617 -8.291 -14.081 -9.081 677 HD2 ARG 617 2HD ARG 617 -6.849 -11.654 -10.201 678 HD3 ARG 617 3HD ARG 617 -7.901 -12.712 -11.135 679 HE ARG 617 HE ARG 617 -8.760 -10.966 -8.845 680 HH11 ARG 617 1HH1 ARG 617 -9.911 -12.858 -11.666 681 HH12 ARG 617 2HH1 ARG 617 -11.438 -11.997 -11.560 682 HH21 ARG 617 1HH2 ARG 617 -10.831 -10.167 -8.840 683 HH22 ARG 617 2HH2 ARG 617 -11.922 -10.692 -10.119 684 H ARG 618 H ARG 618 -6.188 -10.227 -6.562 685 HA ARG 618 HA ARG 618 -5.662 -11.140 -3.784 686 HB2 ARG 618 2HB ARG 618 -4.936 -8.420 -4.952 687 HB3 ARG 618 3HB ARG 618 -4.948 -8.753 -3.232 688 HG2 ARG 618 2HG ARG 618 -3.159 -10.375 -5.091 689 HG3 ARG 618 3HG ARG 618 -2.711 -8.763 -4.591 690 HD2 ARG 618 2HD ARG 618 -1.615 -10.292 -3.131 691 HD3 ARG 618 3HD ARG 618 -2.828 -9.446 -2.184 692 HE ARG 618 HE ARG 618 -2.885 -12.286 -3.117 693 HH11 ARG 618 1HH1 ARG 618 -4.351 -9.866 -0.962 694 HH12 ARG 618 2HH1 ARG 618 -5.438 -11.042 -0.304 695 HH21 ARG 618 1HH2 ARG 618 -4.480 -13.634 -2.337 696 HH22 ARG 618 2HH2 ARG 618 -5.491 -13.051 -1.030 697 H THR 619 H THR 619 -7.086 -10.071 -2.169 698 HA THR 619 HA THR 619 -9.220 -8.370 -3.159 699 HB THR 619 HB THR 619 -9.991 -10.655 -3.842 700 HG1 THR 619 1HG THR 619 -11.548 -9.316 -3.720 701 HG21 THR 619 1HG2 THR 619 -10.458 -11.138 -0.883 702 HG22 THR 619 2HG2 THR 619 -9.215 -11.948 -1.858 703 HG23 THR 619 3HG2 THR 619 -10.931 -12.178 -2.240 704 H ALA 620 H ALA 620 -10.434 -7.342 -1.476 705 HA ALA 620 HA ALA 620 -10.020 -8.211 1.284 706 HB1 ALA 620 1HB ALA 620 -9.089 -5.458 0.387 707 HB2 ALA 620 2HB ALA 620 -9.214 -6.007 2.075 708 HB3 ALA 620 3HB ALA 620 -8.077 -6.793 0.975 709 H SER 621 H SER 621 -11.393 -7.193 2.821 710 HA SER 621 HA SER 621 -13.960 -6.103 1.700 711 HB2 SER 621 2HB SER 621 -15.064 -7.619 3.334 712 HB3 SER 621 3HB SER 621 -14.116 -8.485 2.108 713 HG SER 621 HG SER 621 -13.208 -7.779 4.702 714 H VAL 622 H VAL 622 -13.458 -3.933 2.341 715 HA VAL 622 HA VAL 622 -13.940 -3.349 5.190 716 HB VAL 622 HB VAL 622 -11.681 -3.779 5.397 717 HG11 VAL 622 1HG1 VAL 622 -9.911 -2.736 3.905 718 HG12 VAL 622 2HG1 VAL 622 -10.848 -4.059 3.221 719 HG13 VAL 622 3HG1 VAL 622 -11.247 -2.391 2.769 720 HG21 VAL 622 3HG2 VAL 622 -11.686 -0.801 4.898 721 HG22 VAL 622 1HG2 VAL 622 -12.313 -1.625 6.367 722 HG23 VAL 622 2HG2 VAL 622 -10.602 -1.748 5.955 723 H ARG 623 H ARG 623 -14.499 -1.244 5.737 724 HA ARG 623 HA ARG 623 -14.876 0.766 3.578 725 HB2 ARG 623 2HB ARG 623 -17.159 1.126 4.096 726 HB3 ARG 623 3HB ARG 623 -16.974 -0.616 3.936 727 HG2 ARG 623 2HG ARG 623 -16.679 -0.580 6.546 728 HG3 ARG 623 3HG ARG 623 -17.357 1.043 6.455 729 HD2 ARG 623 2HD ARG 623 -18.662 -1.538 5.494 730 HD3 ARG 623 3HD ARG 623 -19.046 -0.660 6.980 731 HE ARG 623 HE ARG 623 -19.430 1.109 4.764 732 HH11 ARG 623 1HH1 ARG 623 -20.957 -1.710 6.217 733 HH12 ARG 623 2HH1 ARG 623 -22.536 -1.264 5.623 734 HH21 ARG 623 1HH2 ARG 623 -21.404 1.631 4.082 735 HH22 ARG 623 2HH2 ARG 623 -22.790 0.607 4.396 736 H ALA 624 H ALA 624 -15.321 2.980 4.426 737 HA ALA 624 HA ALA 624 -13.445 3.553 6.593 738 HB1 ALA 624 1HB ALA 624 -15.221 5.417 4.979 739 HB2 ALA 624 2HB ALA 624 -13.838 5.876 5.996 740 HB3 ALA 624 3HB ALA 624 -13.576 4.921 4.534 741 H ASP 625 H ASP 625 -13.854 4.256 8.707 742 HA ASP 625 HA ASP 625 -16.575 3.946 9.798 743 HB2 ASP 625 2HB ASP 625 -14.241 3.432 10.953 744 HB3 ASP 625 3HB ASP 625 -14.156 5.115 11.206 745 H THR 626 H THR 626 -14.519 6.389 8.637 746 HA THR 626 HA THR 626 -16.117 8.756 9.408 747 HB THR 626 HB THR 626 -14.857 8.304 11.397 748 HG1 THR 626 1HG THR 626 -13.607 10.188 11.479 749 HG21 THR 626 1HG2 THR 626 -12.381 8.259 11.427 750 HG22 THR 626 2HG2 THR 626 -12.373 8.219 9.646 751 HG23 THR 626 3HG2 THR 626 -13.074 6.866 10.582 752 H TYR 627 H TYR 627 -14.662 10.798 8.576 753 HA TYR 627 HA TYR 627 -14.207 10.369 5.734 754 HB2 TYR 627 2HB TYR 627 -15.312 12.355 6.786 755 HB3 TYR 627 3HB TYR 627 -13.795 12.790 7.508 756 HD1 TYR 627 HD1 TYR 627 -11.792 13.255 5.838 757 HD2 TYR 627 HD2 TYR 627 -15.939 13.251 4.732 758 HE1 TYR 627 HE1 TYR 627 -11.269 14.750 3.883 759 HE2 TYR 627 HE2 TYR 627 -15.441 14.817 2.846 760 HH TYR 627 HH TYR 627 -12.115 15.914 2.129 761 H CYS 628 H CYS 628 -12.379 9.306 5.149 762 HA CYS 628 HA CYS 628 -9.939 9.532 6.872 763 HB2 CYS 628 2HB CYS 628 -11.276 7.366 6.899 764 HB3 CYS 628 3HB CYS 628 -10.782 7.132 5.209 765 HG CYS 628 HG CYS 628 -8.176 7.318 5.657 766 H ARG 629 H ARG 629 -8.041 9.967 6.044 767 HA ARG 629 HA ARG 629 -7.653 10.502 3.139 768 HB2 ARG 629 2HB ARG 629 -5.612 10.773 5.373 769 HB3 ARG 629 3HB ARG 629 -5.619 11.579 3.813 770 HG2 ARG 629 2HG ARG 629 -7.441 12.122 6.202 771 HG3 ARG 629 3HG ARG 629 -6.033 13.050 5.726 772 HD2 ARG 629 2HD ARG 629 -7.099 13.795 3.683 773 HD3 ARG 629 3HD ARG 629 -8.498 12.753 4.004 774 HE ARG 629 HE ARG 629 -9.003 14.018 6.026 775 HH11 ARG 629 1HH1 ARG 629 -6.421 15.756 4.425 776 HH12 ARG 629 2HH1 ARG 629 -7.237 17.293 4.609 777 HH21 ARG 629 1HH2 ARG 629 -9.662 16.008 6.678 778 HH22 ARG 629 2HH2 ARG 629 -8.729 17.407 6.196 779 H LEU 630 H LEU 630 -6.821 9.045 1.863 780 HA LEU 630 HA LEU 630 -5.062 6.842 2.864 781 HB2 LEU 630 2HB LEU 630 -7.078 6.749 0.584 782 HB3 LEU 630 3HB LEU 630 -5.979 5.458 1.049 783 HG LEU 630 HG LEU 630 -8.390 6.459 2.610 784 HD11 LEU 630 1HD1 LEU 630 -9.109 4.115 2.323 785 HD12 LEU 630 2HD1 LEU 630 -7.613 3.752 1.417 786 HD13 LEU 630 3HD1 LEU 630 -8.814 4.881 0.759 787 HD21 LEU 630 3HD2 LEU 630 -6.264 4.445 3.426 788 HD22 LEU 630 1HD2 LEU 630 -7.850 4.618 4.227 789 HD23 LEU 630 2HD2 LEU 630 -6.698 5.946 4.274 790 H TYR 631 H TYR 631 -3.699 5.932 1.161 791 HA TYR 631 HA TYR 631 -2.824 7.870 -0.939 792 HB2 TYR 631 2HB TYR 631 -1.424 6.830 1.364 793 HB3 TYR 631 3HB TYR 631 -0.598 6.310 -0.108 794 HD1 TYR 631 HD2 TYR 631 -0.263 8.202 -1.886 795 HD2 TYR 631 HD1 TYR 631 -0.844 8.872 2.305 796 HE1 TYR 631 HE2 TYR 631 0.635 10.556 -2.138 797 HE2 TYR 631 HE1 TYR 631 0.065 11.184 2.083 798 HH TYR 631 HH TYR 631 1.128 12.561 -1.023 799 H SER 632 H SER 632 -2.216 6.960 -2.913 800 HA SER 632 HA SER 632 -2.782 4.053 -3.265 801 HB2 SER 632 2HB SER 632 -4.717 5.502 -3.845 802 HB3 SER 632 3HB SER 632 -3.703 6.387 -4.996 803 HG SER 632 HG SER 632 -5.037 4.704 -5.887 804 H LEU 633 H LEU 633 -1.072 3.016 -4.055 805 HA LEU 633 HA LEU 633 0.865 4.482 -5.807 806 HB2 LEU 633 2HB LEU 633 1.419 4.048 -3.304 807 HB3 LEU 633 3HB LEU 633 1.669 2.383 -3.773 808 HG LEU 633 HG LEU 633 3.172 4.747 -5.058 809 HD11 LEU 633 1HD1 LEU 633 4.024 2.924 -2.757 810 HD12 LEU 633 2HD1 LEU 633 3.585 4.639 -2.606 811 HD13 LEU 633 3HD1 LEU 633 5.019 4.177 -3.533 812 HD21 LEU 633 3HD2 LEU 633 4.875 2.962 -5.546 813 HD22 LEU 633 1HD2 LEU 633 3.370 2.782 -6.426 814 HD23 LEU 633 2HD2 LEU 633 3.695 1.740 -5.020 815 H SER 634 H SER 634 1.294 3.589 -7.688 816 HA SER 634 HA SER 634 0.242 0.909 -8.353 817 HB2 SER 634 2HB SER 634 0.822 1.557 -10.688 818 HB3 SER 634 3HB SER 634 -0.321 2.654 -9.896 819 HG SER 634 HG SER 634 1.357 3.750 -11.025 820 H VAL 635 H VAL 635 1.388 -0.878 -8.822 821 HA VAL 635 HA VAL 635 4.190 -0.932 -8.005 822 HB VAL 635 HB VAL 635 4.253 -3.176 -8.344 823 HG11 VAL 635 1HG1 VAL 635 1.312 -2.820 -7.696 824 HG12 VAL 635 2HG1 VAL 635 2.441 -4.100 -7.157 825 HG13 VAL 635 3HG1 VAL 635 2.640 -2.441 -6.563 826 HG21 VAL 635 3HG2 VAL 635 2.798 -4.625 -9.434 827 HG22 VAL 635 1HG2 VAL 635 1.854 -3.258 -10.119 828 HG23 VAL 635 2HG2 VAL 635 3.576 -3.518 -10.558 829 H ASP 636 H ASP 636 2.508 -0.390 -10.958 830 HA ASP 636 HA ASP 636 4.369 -0.792 -12.983 831 HB2 ASP 636 2HB ASP 636 2.504 1.572 -12.484 832 HB3 ASP 636 3HB ASP 636 3.349 1.269 -14.005 833 H ASN 637 H ASN 637 4.220 2.084 -10.775 834 HA ASN 637 HA ASN 637 6.711 3.097 -11.846 835 HB2 ASN 637 2HB ASN 637 4.825 4.066 -9.686 836 HB3 ASN 637 3HB ASN 637 6.380 4.853 -10.020 837 HD21 ASN 637 HD21 ASN 637 6.797 5.633 -12.303 838 HD22 ASN 637 HD22 ASN 637 5.401 5.810 -13.370 839 H PHE 638 H PHE 638 5.934 1.342 -8.780 840 HA PHE 638 HA PHE 638 8.477 1.416 -7.557 841 HB2 PHE 638 2HB PHE 638 6.454 0.309 -6.677 842 HB3 PHE 638 3HB PHE 638 6.697 -1.001 -7.828 843 HD1 PHE 638 1HD PHE 638 8.900 -2.378 -7.694 844 HD2 PHE 638 2HD PHE 638 7.527 0.263 -4.573 845 HE1 PHE 638 1HE PHE 638 10.347 -3.548 -6.058 846 HE2 PHE 638 2HE PHE 638 8.991 -0.906 -2.950 847 HZ PHE 638 HZ PHE 638 10.391 -2.794 -3.684 848 H ASN 639 H ASN 639 7.398 -0.620 -10.280 849 HA ASN 639 HA ASN 639 9.931 -2.031 -10.549 850 HB2 ASN 639 2HB ASN 639 7.292 -1.870 -12.063 851 HB3 ASN 639 3HB ASN 639 8.645 -2.757 -12.712 852 HD21 ASN 639 HD21 ASN 639 6.194 -2.860 -10.150 853 HD22 ASN 639 HD22 ASN 639 6.580 -4.542 -9.830 854 H GLU 640 H GLU 640 8.711 0.975 -11.888 855 HA GLU 640 HA GLU 640 10.600 1.217 -14.079 856 HB2 GLU 640 2HB GLU 640 8.644 2.954 -12.598 857 HB3 GLU 640 3HB GLU 640 9.841 3.766 -13.502 858 HG2 GLU 640 2HG GLU 640 7.927 1.630 -14.599 859 HG3 GLU 640 3HG GLU 640 7.608 3.360 -14.652 860 H VAL 641 H VAL 641 10.446 2.684 -10.836 861 HA VAL 641 HA VAL 641 12.884 4.225 -10.997 862 HB VAL 641 HB VAL 641 11.053 4.881 -9.635 863 HG11 VAL 641 1HG1 VAL 641 11.336 2.795 -7.528 864 HG12 VAL 641 2HG1 VAL 641 9.908 3.666 -8.168 865 HG13 VAL 641 3HG1 VAL 641 10.549 2.313 -9.029 866 HG21 VAL 641 3HG2 VAL 641 12.067 5.321 -7.456 867 HG22 VAL 641 1HG2 VAL 641 13.311 4.108 -7.735 868 HG23 VAL 641 2HG2 VAL 641 13.266 5.560 -8.765 869 H LEU 642 H LEU 642 12.243 0.934 -9.925 870 HA LEU 642 HA LEU 642 14.290 0.445 -8.208 871 HB2 LEU 642 2HB LEU 642 12.445 -1.099 -9.754 872 HB3 LEU 642 3HB LEU 642 14.000 -1.823 -10.057 873 HG LEU 642 HG LEU 642 12.595 -1.458 -7.386 874 HD11 LEU 642 1HD1 LEU 642 11.929 -3.362 -8.851 875 HD12 LEU 642 2HD1 LEU 642 12.662 -3.892 -7.331 876 HD13 LEU 642 3HD1 LEU 642 13.611 -3.941 -8.831 877 HD21 LEU 642 3HD2 LEU 642 14.564 -2.735 -6.415 878 HD22 LEU 642 1HD2 LEU 642 14.920 -1.065 -6.834 879 HD23 LEU 642 2HD2 LEU 642 15.446 -2.358 -7.918 880 H GLU 643 H GLU 643 14.757 0.384 -11.788 881 HA GLU 643 HA GLU 643 17.366 -0.602 -11.730 882 HB2 GLU 643 2HB GLU 643 17.144 -0.335 -14.023 883 HB3 GLU 643 3HB GLU 643 15.544 -0.661 -13.466 884 HG2 GLU 643 2HG GLU 643 14.996 1.036 -14.840 885 HG3 GLU 643 3HG GLU 643 15.384 2.042 -13.452 886 H GLU 644 H GLU 644 16.372 2.608 -10.866 887 HA GLU 644 HA GLU 644 18.845 3.999 -11.526 888 HB2 GLU 644 2HB GLU 644 16.578 4.532 -9.623 889 HB3 GLU 644 3HB GLU 644 17.916 5.628 -9.877 890 HG2 GLU 644 2HG GLU 644 16.401 4.692 -12.327 891 HG3 GLU 644 3HG GLU 644 15.578 5.709 -11.197 892 H TYR 645 H TYR 645 17.816 1.772 -9.113 893 HA TYR 645 HA TYR 645 20.213 2.216 -7.378 894 HB2 TYR 645 2HB TYR 645 17.403 1.541 -6.441 895 HB3 TYR 645 3HB TYR 645 18.821 1.802 -5.432 896 HD1 TYR 645 HD1 TYR 645 19.683 4.101 -5.033 897 HD2 TYR 645 HD2 TYR 645 16.233 3.391 -7.520 898 HE1 TYR 645 HE1 TYR 645 19.149 6.535 -4.998 899 HE2 TYR 645 HE2 TYR 645 15.714 5.804 -7.516 900 HH TYR 645 HH TYR 645 16.305 7.859 -6.703 901 HA PRO 646 HA PRO 646 19.560 -2.005 -9.347 902 HB2 PRO 646 2HB PRO 646 22.182 -2.580 -10.021 903 HB3 PRO 646 3HB PRO 646 21.028 -1.672 -11.037 904 HG2 PRO 646 2HG PRO 646 23.099 -0.542 -9.124 905 HG3 PRO 646 3HG PRO 646 22.790 -0.068 -10.829 906 HD2 PRO 646 2HD PRO 646 21.733 1.368 -8.821 907 HD3 PRO 646 3HD PRO 646 20.727 0.976 -10.247 908 H MET 647 H MET 647 21.766 -1.110 -6.714 909 HA MET 647 HA MET 647 22.330 -3.676 -5.595 910 HB2 MET 647 2HB MET 647 23.259 -1.560 -4.754 911 HB3 MET 647 3HB MET 647 21.639 -1.009 -4.316 912 HG2 MET 647 2HG MET 647 21.532 -3.027 -2.717 913 HG3 MET 647 3HG MET 647 23.253 -3.230 -3.038 914 HE1 MET 647 3HE MET 647 20.433 -1.372 -1.291 915 HE2 MET 647 1HE MET 647 21.154 0.145 -0.702 916 HE3 MET 647 2HE MET 647 20.836 -0.080 -2.438 917 H MET 648 H MET 648 19.373 -1.636 -5.374 918 HA MET 648 HA MET 648 17.988 -3.573 -3.651 919 HB2 MET 648 2HB MET 648 17.158 -0.985 -5.001 920 HB3 MET 648 3HB MET 648 16.017 -2.017 -4.140 921 HG2 MET 648 2HG MET 648 18.461 -0.638 -2.994 922 HG3 MET 648 3HG MET 648 16.780 -0.218 -2.714 923 HE1 MET 648 3HE MET 648 15.680 -3.468 -2.312 924 HE2 MET 648 1HE MET 648 15.602 -3.397 -0.543 925 HE3 MET 648 2HE MET 648 15.036 -2.015 -1.509 926 H ARG 649 H ARG 649 18.306 -3.020 -7.123 927 HA ARG 649 HA ARG 649 16.041 -4.668 -7.874 928 HB2 ARG 649 2HB ARG 649 17.486 -2.961 -9.274 929 HB3 ARG 649 3HB ARG 649 18.500 -4.357 -9.620 930 HG2 ARG 649 2HG ARG 649 15.520 -4.054 -10.222 931 HG3 ARG 649 3HG ARG 649 16.837 -3.876 -11.370 932 HD2 ARG 649 2HD ARG 649 17.453 -6.302 -10.906 933 HD3 ARG 649 3HD ARG 649 15.936 -6.437 -10.004 934 HE ARG 649 HE ARG 649 16.308 -6.206 -12.922 935 HH11 ARG 649 1HH1 ARG 649 13.849 -6.351 -10.358 936 HH12 ARG 649 2HH1 ARG 649 12.588 -6.349 -11.560 937 HH21 ARG 649 1HH2 ARG 649 14.500 -6.529 -14.260 938 HH22 ARG 649 2HH2 ARG 649 12.911 -6.493 -13.525 939 H ARG 650 H ARG 650 19.559 -5.472 -7.640 940 HA ARG 650 HA ARG 650 19.132 -8.302 -7.941 941 HB2 ARG 650 2HB ARG 650 21.294 -8.669 -6.966 942 HB3 ARG 650 3HB ARG 650 21.303 -7.460 -8.244 943 HG2 ARG 650 2HG ARG 650 22.840 -6.632 -6.764 944 HG3 ARG 650 3HG ARG 650 21.415 -5.701 -6.385 945 HD2 ARG 650 2HD ARG 650 22.639 -6.347 -4.363 946 HD3 ARG 650 3HD ARG 650 21.057 -7.104 -4.346 947 HE ARG 650 HE ARG 650 23.250 -8.722 -5.499 948 HH11 ARG 650 1HH1 ARG 650 21.538 -8.137 -2.447 949 HH12 ARG 650 2HH1 ARG 650 22.026 -9.693 -1.851 950 HH21 ARG 650 1HH2 ARG 650 23.704 -10.581 -4.732 951 HH22 ARG 650 2HH2 ARG 650 23.185 -11.110 -3.127 952 H ALA 651 H ALA 651 18.965 -6.335 -5.069 953 HA ALA 651 HA ALA 651 18.673 -8.371 -3.152 954 HB1 ALA 651 1HB ALA 651 17.786 -6.656 -1.720 955 HB2 ALA 651 2HB ALA 651 18.956 -5.855 -2.774 956 HB3 ALA 651 3HB ALA 651 17.210 -5.700 -3.093 957 H PHE 652 H PHE 652 16.284 -7.228 -5.485 958 HA PHE 652 HA PHE 652 14.180 -8.954 -4.314 959 HB2 PHE 652 2HB PHE 652 14.231 -6.833 -6.454 960 HB3 PHE 652 3HB PHE 652 12.871 -7.943 -6.268 961 HD1 PHE 652 2HD PHE 652 12.131 -8.187 -3.599 962 HD2 PHE 652 1HD PHE 652 13.882 -4.736 -5.480 963 HE1 PHE 652 2HE PHE 652 11.081 -6.736 -1.908 964 HE2 PHE 652 1HE PHE 652 12.804 -3.266 -3.799 965 HZ PHE 652 HZ PHE 652 11.338 -4.255 -2.029 966 H GLU 653 H GLU 653 16.386 -8.945 -7.144 967 HA GLU 653 HA GLU 653 15.127 -11.237 -8.402 968 HB2 GLU 653 2HB GLU 653 18.025 -10.354 -8.515 969 HB3 GLU 653 3HB GLU 653 17.267 -11.530 -9.583 970 HG2 GLU 653 2HG GLU 653 16.486 -8.595 -9.418 971 HG3 GLU 653 3HG GLU 653 17.599 -9.273 -10.586 972 H THR 654 H THR 654 17.553 -10.991 -5.809 973 HA THR 654 HA THR 654 18.416 -13.733 -5.931 974 HB THR 654 HB THR 654 19.757 -11.910 -4.984 975 HG1 THR 654 1HG THR 654 20.350 -13.956 -4.348 976 HG21 THR 654 1HG2 THR 654 17.986 -12.122 -2.518 977 HG22 THR 654 2HG2 THR 654 17.882 -10.806 -3.694 978 HG23 THR 654 3HG2 THR 654 19.378 -11.046 -2.775 979 H VAL 655 H VAL 655 15.765 -12.248 -4.360 980 HA VAL 655 HA VAL 655 15.227 -14.442 -2.464 981 HB VAL 655 HB VAL 655 15.187 -12.153 -1.748 982 HG11 VAL 655 1HG1 VAL 655 14.583 -10.985 -3.673 983 HG12 VAL 655 2HG1 VAL 655 12.926 -11.657 -3.671 984 HG13 VAL 655 3HG1 VAL 655 13.468 -10.560 -2.374 985 HG21 VAL 655 3HG2 VAL 655 13.115 -12.142 -0.483 986 HG22 VAL 655 1HG2 VAL 655 12.348 -13.257 -1.624 987 HG23 VAL 655 2HG2 VAL 655 13.686 -13.812 -0.609 988 H ALA 656 H ALA 656 13.978 -13.182 -5.456 989 HA ALA 656 HA ALA 656 11.413 -14.339 -5.494 990 HB1 ALA 656 1HB ALA 656 13.294 -13.703 -7.799 991 HB2 ALA 656 2HB ALA 656 11.543 -13.970 -7.941 992 HB3 ALA 656 3HB ALA 656 12.149 -12.590 -7.013 993 H ILE 657 H ILE 657 14.417 -16.025 -5.900 994 HA ILE 657 HA ILE 657 13.077 -18.502 -6.872 995 HB ILE 657 HB ILE 657 15.103 -17.695 -7.994 996 HG12 ILE 657 2HG1 ILE 657 15.622 -20.392 -6.685 997 HG13 ILE 657 3HG1 ILE 657 14.349 -20.128 -7.884 998 HG21 ILE 657 1HG2 ILE 657 16.325 -16.775 -6.028 999 HG22 ILE 657 2HG2 ILE 657 16.591 -18.428 -5.429 1000 HG23 ILE 657 3HG2 ILE 657 17.310 -17.892 -6.959 1001 HD11 ILE 657 3HD1 ILE 657 17.330 -19.716 -8.336 1002 HD12 ILE 657 1HD1 ILE 657 16.316 -21.025 -8.963 1003 HD13 ILE 657 2HD1 ILE 657 16.043 -19.360 -9.518 1004 H ASP 658 H ASP 658 13.812 -17.070 -3.911 1005 HA ASP 658 HA ASP 658 14.272 -19.653 -2.480 1006 HB2 ASP 658 2HB ASP 658 16.015 -17.977 -2.291 1007 HB3 ASP 658 3HB ASP 658 14.848 -16.764 -1.759 1008 H ARG 659 H ARG 659 12.240 -16.718 -2.418 1009 HA ARG 659 HA ARG 659 10.665 -17.340 -0.163 1010 HB2 ARG 659 2HB ARG 659 9.722 -15.266 -0.679 1011 HB3 ARG 659 3HB ARG 659 11.306 -15.150 -1.341 1012 HG2 ARG 659 2HG ARG 659 10.373 -15.731 -3.629 1013 HG3 ARG 659 3HG ARG 659 8.750 -15.712 -2.938 1014 HD2 ARG 659 2HD ARG 659 10.660 -13.356 -3.040 1015 HD3 ARG 659 3HD ARG 659 9.281 -13.622 -4.101 1016 HE ARG 659 HE ARG 659 7.840 -13.563 -1.984 1017 HH11 ARG 659 1HH1 ARG 659 10.848 -11.699 -1.989 1018 HH12 ARG 659 2HH1 ARG 659 10.112 -10.509 -0.924 1019 HH21 ARG 659 1HH2 ARG 659 7.134 -11.988 -0.611 1020 HH22 ARG 659 2HH2 ARG 659 8.216 -10.656 -0.199 1021 H LEU 660 H LEU 660 10.554 -19.053 -2.925 1022 HA LEU 660 HA LEU 660 7.785 -18.933 -3.678 1023 HB2 LEU 660 2HB LEU 660 9.714 -19.286 -5.175 1024 HB3 LEU 660 3HB LEU 660 10.046 -20.841 -4.443 1025 HG LEU 660 HG LEU 660 8.903 -20.734 -6.732 1026 HD11 LEU 660 1HD1 LEU 660 9.048 -22.821 -5.499 1027 HD12 LEU 660 2HD1 LEU 660 7.487 -22.682 -6.325 1028 HD13 LEU 660 3HD1 LEU 660 7.592 -22.415 -4.575 1029 HD21 LEU 660 3HD2 LEU 660 7.197 -19.022 -6.113 1030 HD22 LEU 660 1HD2 LEU 660 6.404 -20.235 -5.081 1031 HD23 LEU 660 2HD2 LEU 660 6.506 -20.491 -6.832 1032 H ASP 661 H ASP 661 9.687 -21.479 -2.085 1033 HA ASP 661 HA ASP 661 9.266 -22.997 -0.539 1034 HB2 ASP 661 2HB ASP 661 8.481 -20.879 0.571 1035 HB3 ASP 661 3HB ASP 661 6.824 -21.407 0.261 1036 H ARG 662 H ARG 662 7.337 -24.385 0.623 1037 HA ARG 662 HA ARG 662 7.024 -26.298 -1.576 1038 HB2 ARG 662 2HB ARG 662 7.007 -26.648 1.458 1039 HB3 ARG 662 3HB ARG 662 6.905 -27.939 0.264 1040 HG2 ARG 662 2HG ARG 662 9.158 -27.989 0.725 1041 HG3 ARG 662 3HG ARG 662 9.118 -26.962 -0.705 1042 HD2 ARG 662 2HD ARG 662 9.192 -24.964 0.911 1043 HD3 ARG 662 3HD ARG 662 9.521 -26.124 2.197 1044 HE ARG 662 HE ARG 662 11.426 -26.751 0.338 1045 HH11 ARG 662 1HH1 ARG 662 10.591 -23.563 1.690 1046 HH12 ARG 662 2HH1 ARG 662 12.166 -22.923 1.298 1047 HH21 ARG 662 1HH2 ARG 662 13.408 -25.838 -0.025 1048 HH22 ARG 662 2HH2 ARG 662 13.748 -24.215 0.524 1049 H ILE 663 H ILE 663 4.917 -25.044 1.015 1050 HA ILE 663 HA ILE 663 2.746 -24.589 1.119 1051 HB ILE 663 HB ILE 663 2.865 -24.690 -1.917 1052 HG12 ILE 663 2HG1 ILE 663 4.572 -23.193 -1.154 1053 HG13 ILE 663 3HG1 ILE 663 3.236 -22.284 -1.828 1054 HG21 ILE 663 1HG2 ILE 663 0.994 -22.997 -1.724 1055 HG22 ILE 663 2HG2 ILE 663 0.543 -24.631 -1.243 1056 HG23 ILE 663 3HG2 ILE 663 0.871 -23.406 -0.003 1057 HD11 ILE 663 3HD1 ILE 663 4.117 -21.199 0.174 1058 HD12 ILE 663 1HD1 ILE 663 2.450 -21.738 0.465 1059 HD13 ILE 663 2HD1 ILE 663 3.822 -22.660 1.129 1060 H GLY 664 H GLY 664 3.002 -27.364 -1.112 1061 HA2 GLY 664 2HA GLY 664 1.441 -29.284 -0.054 1062 HA3 GLY 664 3HA GLY 664 0.185 -28.126 -0.531 1063 H LYS 665 H LYS 665 3.141 -29.584 -1.847 1064 HA LYS 665 HA LYS 665 2.085 -29.469 -4.659 1065 HB2 LYS 665 2HB LYS 665 3.199 -27.401 -3.704 1066 HB3 LYS 665 3HB LYS 665 4.663 -28.368 -3.481 1067 HG2 LYS 665 2HG LYS 665 4.849 -28.625 -5.937 1068 HG3 LYS 665 3HG LYS 665 3.335 -27.726 -6.132 1069 HD2 LYS 665 2HD LYS 665 5.100 -26.136 -6.473 1070 HD3 LYS 665 3HD LYS 665 4.423 -25.779 -4.863 1071 HE2 LYS 665 2HE LYS 665 6.264 -27.017 -3.791 1072 HE3 LYS 665 3HE LYS 665 6.893 -27.517 -5.364 1073 HZ1 LYS 665 3HZ LYS 665 6.816 -24.725 -4.357 1074 HZ2 LYS 665 1HZ LYS 665 7.389 -25.191 -5.852 1075 HZ3 LYS 665 2HZ LYS 665 8.120 -25.684 -4.468 1076 H LYS 666 H LYS 666 2.845 -31.135 -5.995 1077 HA LYS 666 HA LYS 666 4.420 -33.234 -4.728 1078 HB2 LYS 666 2HB LYS 666 3.934 -34.592 -6.559 1079 HB3 LYS 666 3HB LYS 666 2.489 -33.656 -6.205 1080 HG2 LYS 666 2HG LYS 666 3.099 -32.116 -8.133 1081 HG3 LYS 666 3HG LYS 666 4.447 -33.215 -8.508 1082 HD2 LYS 666 2HD LYS 666 2.815 -35.101 -8.708 1083 HD3 LYS 666 3HD LYS 666 1.495 -33.956 -8.391 1084 HE2 LYS 666 2HE LYS 666 2.132 -32.681 -10.429 1085 HE3 LYS 666 3HE LYS 666 3.404 -33.866 -10.764 1086 HZ1 LYS 666 3HZ LYS 666 0.511 -34.480 -10.556 1087 HZ2 LYS 666 1HZ LYS 666 1.673 -35.579 -10.954 1088 HZ3 LYS 666 2HZ LYS 666 1.302 -34.318 -11.963 1089 H ASN 667 H ASN 667 5.337 -30.656 -6.892 1090 HA ASN 667 HA ASN 667 8.056 -31.579 -7.307 1091 HB2 ASN 667 2HB ASN 667 7.409 -29.933 -8.819 1092 HB3 ASN 667 3HB ASN 667 6.552 -28.982 -7.609 1093 HD21 ASN 667 HD21 ASN 667 9.976 -30.027 -8.273 1094 HD22 ASN 667 HD22 ASN 667 10.611 -28.439 -7.847 1095 H SER 668 H SER 668 9.835 -31.365 -6.068 1096 HA SER 668 HA SER 668 9.541 -30.738 -3.203 1097 HB2 SER 668 2HB SER 668 11.866 -31.678 -3.148 1098 HB3 SER 668 3HB SER 668 10.629 -32.791 -3.764 1099 HG SER 668 HG SER 668 12.606 -32.662 -5.079 1100 H ILE 669 H ILE 669 11.692 -29.704 -5.857 1101 HA ILE 669 HA ILE 669 12.340 -27.166 -4.425 1102 HB ILE 669 HB ILE 669 14.745 -27.620 -4.736 1103 HG12 ILE 669 2HG1 ILE 669 13.902 -30.417 -5.609 1104 HG13 ILE 669 3HG1 ILE 669 14.649 -29.187 -6.620 1105 HG21 ILE 669 1HG2 ILE 669 13.572 -28.096 -2.603 1106 HG22 ILE 669 2HG2 ILE 669 13.412 -29.801 -3.088 1107 HG23 ILE 669 3HG2 ILE 669 15.015 -29.077 -2.834 1108 HD11 ILE 669 3HD1 ILE 669 16.675 -29.268 -5.122 1109 HD12 ILE 669 1HD1 ILE 669 15.925 -30.647 -4.284 1110 HD13 ILE 669 2HD1 ILE 669 16.331 -30.768 -6.003 1111 H LEU 670 H LEU 670 13.493 -25.615 -5.619 1112 HA LEU 670 HA LEU 670 13.814 -26.047 -8.533 1113 HB2 LEU 670 2HB LEU 670 12.900 -24.011 -9.201 1114 HB3 LEU 670 3HB LEU 670 11.690 -24.797 -8.208 1115 HG LEU 670 HG LEU 670 13.495 -22.500 -7.286 1116 HD11 LEU 670 1HD1 LEU 670 10.566 -22.497 -8.123 1117 HD12 LEU 670 2HD1 LEU 670 11.919 -21.818 -9.054 1118 HD13 LEU 670 3HD1 LEU 670 11.486 -21.107 -7.495 1119 HD21 LEU 670 3HD2 LEU 670 12.745 -23.751 -5.353 1120 HD22 LEU 670 1HD2 LEU 670 11.084 -23.827 -5.979 1121 HD23 LEU 670 2HD2 LEU 670 11.796 -22.278 -5.456 1122 H LEU 671 H LEU 671 15.529 -25.824 -5.989 1123 HA LEU 671 HA LEU 671 17.657 -24.116 -7.157 1124 HB2 LEU 671 2HB LEU 671 16.391 -22.842 -5.471 1125 HB3 LEU 671 3HB LEU 671 16.705 -24.086 -4.267 1126 HG LEU 671 HG LEU 671 19.057 -23.522 -4.192 1127 HD11 LEU 671 1HD1 LEU 671 19.997 -21.600 -5.446 1128 HD12 LEU 671 2HD1 LEU 671 18.502 -21.499 -6.406 1129 HD13 LEU 671 3HD1 LEU 671 19.576 -22.911 -6.529 1130 HD21 LEU 671 3HD2 LEU 671 18.900 -21.236 -3.339 1131 HD22 LEU 671 1HD2 LEU 671 17.487 -22.182 -2.850 1132 HD23 LEU 671 2HD2 LEU 671 17.347 -21.005 -4.174 1133 H HIS 672 H HIS 672 19.748 -24.520 -5.997 1134 HA HIS 672 HA HIS 672 20.648 -27.058 -6.640 1135 HB2 HIS 672 2HB HIS 672 21.930 -25.033 -6.809 1136 HB3 HIS 672 3HB HIS 672 21.862 -24.756 -5.078 1137 HD1 HIS 672 1HD HIS 672 23.998 -25.576 -3.852 1138 HD2 HIS 672 2HD HIS 672 23.236 -27.564 -7.479 1139 HE1 HIS 672 1HE HIS 672 25.931 -27.231 -4.184 Start of MODEL 10 1 H ASN 534 H ASN 534 8.610 12.348 7.398 2 HA ASN 534 HA ASN 534 7.165 14.276 5.774 3 HB2 ASN 534 2HB ASN 534 9.284 14.750 4.790 4 HB3 ASN 534 3HB ASN 534 9.830 13.088 4.910 5 HD21 ASN 534 HD21 ASN 534 7.459 15.154 3.144 6 HD22 ASN 534 HD22 ASN 534 7.574 14.199 1.667 7 H CYS 535 H CYS 535 6.195 12.964 3.829 8 HA CYS 535 HA CYS 535 4.712 10.734 4.626 9 HB2 CYS 535 2HB CYS 535 4.256 12.277 2.731 10 HB3 CYS 535 3HB CYS 535 5.581 11.537 1.809 11 HG CYS 535 HG CYS 535 3.115 10.748 1.013 12 H ARG 536 H ARG 536 8.043 10.699 3.404 13 HA ARG 536 HA ARG 536 8.444 8.028 2.734 14 HB2 ARG 536 2HB ARG 536 10.758 8.367 3.349 15 HB3 ARG 536 3HB ARG 536 10.121 9.829 2.599 16 HG2 ARG 536 2HG ARG 536 9.722 10.716 4.990 17 HG3 ARG 536 3HG ARG 536 10.683 9.354 5.562 18 HD2 ARG 536 2HD ARG 536 11.622 11.469 3.573 19 HD3 ARG 536 3HD ARG 536 11.951 11.479 5.311 20 HE ARG 536 HE ARG 536 12.818 8.994 4.074 21 HH11 ARG 536 1HH1 ARG 536 13.930 12.336 4.585 22 HH12 ARG 536 2HH1 ARG 536 15.603 11.782 4.432 23 HH21 ARG 536 1HH2 ARG 536 14.874 8.524 3.896 24 HH22 ARG 536 2HH2 ARG 536 16.112 9.799 4.037 25 H LYS 537 H LYS 537 7.817 9.131 6.082 26 HA LYS 537 HA LYS 537 8.510 6.781 7.515 27 HB2 LYS 537 2HB LYS 537 7.888 8.794 8.601 28 HB3 LYS 537 3HB LYS 537 6.314 8.848 7.784 29 HG2 LYS 537 2HG LYS 537 5.517 6.908 8.993 30 HG3 LYS 537 3HG LYS 537 7.126 6.620 9.702 31 HD2 LYS 537 2HD LYS 537 7.024 8.589 10.978 32 HD3 LYS 537 3HD LYS 537 5.594 9.196 10.098 33 HE2 LYS 537 2HE LYS 537 4.229 7.311 10.933 34 HE3 LYS 537 3HE LYS 537 5.638 6.601 11.732 35 HZ1 LYS 537 3HZ LYS 537 4.416 9.199 12.520 36 HZ2 LYS 537 1HZ LYS 537 5.657 8.380 13.296 37 HZ3 LYS 537 2HZ LYS 537 4.149 7.770 13.231 38 H LEU 538 H LEU 538 5.732 7.408 5.390 39 HA LEU 538 HA LEU 538 4.122 5.279 6.582 40 HB2 LEU 538 2HB LEU 538 3.575 7.126 4.230 41 HB3 LEU 538 3HB LEU 538 2.398 6.097 5.042 42 HG LEU 538 HG LEU 538 3.838 8.449 6.349 43 HD11 LEU 538 1HD1 LEU 538 0.986 8.185 5.311 44 HD12 LEU 538 2HD1 LEU 538 2.276 9.182 4.599 45 HD13 LEU 538 3HD1 LEU 538 1.648 9.570 6.206 46 HD21 LEU 538 3HD2 LEU 538 1.487 6.762 7.309 47 HD22 LEU 538 1HD2 LEU 538 2.148 8.189 8.129 48 HD23 LEU 538 2HD2 LEU 538 3.130 6.725 7.997 49 H VAL 539 H VAL 539 5.594 5.833 3.333 50 HA VAL 539 HA VAL 539 4.936 3.173 2.359 51 HB VAL 539 HB VAL 539 5.810 5.373 1.129 52 HG11 VAL 539 1HG1 VAL 539 8.288 3.621 1.265 53 HG12 VAL 539 2HG1 VAL 539 8.047 5.025 0.221 54 HG13 VAL 539 3HG1 VAL 539 8.107 5.250 1.991 55 HG21 VAL 539 3HG2 VAL 539 6.232 3.858 -0.821 56 HG22 VAL 539 1HG2 VAL 539 6.123 2.488 0.312 57 HG23 VAL 539 2HG2 VAL 539 4.720 3.538 0.053 58 H ALA 540 H ALA 540 7.691 4.439 4.249 59 HA ALA 540 HA ALA 540 9.034 1.903 4.500 60 HB1 ALA 540 1HB ALA 540 9.142 4.353 6.286 61 HB2 ALA 540 2HB ALA 540 10.340 3.061 6.183 62 HB3 ALA 540 3HB ALA 540 10.108 4.138 4.790 63 H SER 541 H SER 541 5.978 2.527 5.644 64 HA SER 541 HA SER 541 6.299 1.519 8.359 65 HB2 SER 541 2HB SER 541 4.515 3.133 7.762 66 HB3 SER 541 3HB SER 541 3.805 1.867 6.744 67 HG SER 541 HG SER 541 2.789 1.906 8.753 68 H MET 542 H MET 542 5.770 0.284 5.153 69 HA MET 542 HA MET 542 4.627 -2.241 5.866 70 HB2 MET 542 2HB MET 542 4.004 -0.966 3.876 71 HB3 MET 542 3HB MET 542 5.689 -0.942 3.340 72 HG2 MET 542 2HG MET 542 5.615 -3.402 3.151 73 HG3 MET 542 3HG MET 542 3.884 -3.365 3.535 74 HE1 MET 542 3HE MET 542 3.338 -4.092 -0.146 75 HE2 MET 542 1HE MET 542 4.391 -4.885 1.053 76 HE3 MET 542 2HE MET 542 2.771 -4.294 1.533 77 HA PRO 543 HA PRO 543 8.579 -4.086 6.694 78 HB2 PRO 543 2HB PRO 543 8.098 -6.777 6.463 79 HB3 PRO 543 3HB PRO 543 7.506 -5.753 7.805 80 HG2 PRO 543 2HG PRO 543 6.022 -6.663 5.344 81 HG3 PRO 543 3HG PRO 543 5.438 -6.613 7.030 82 HD2 PRO 543 2HD PRO 543 4.873 -4.672 5.159 83 HD3 PRO 543 3HD PRO 543 4.988 -4.308 6.892 84 H LEU 544 H LEU 544 7.081 -4.688 3.592 85 HA LEU 544 HA LEU 544 9.273 -5.724 2.127 86 HB2 LEU 544 2HB LEU 544 6.945 -5.678 1.451 87 HB3 LEU 544 3HB LEU 544 6.934 -3.938 1.309 88 HG LEU 544 HG LEU 544 8.897 -5.509 -0.362 89 HD11 LEU 544 1HD1 LEU 544 5.931 -5.115 -0.900 90 HD12 LEU 544 2HD1 LEU 544 6.749 -6.668 -0.651 91 HD13 LEU 544 3HD1 LEU 544 7.112 -5.709 -2.098 92 HD21 LEU 544 3HD2 LEU 544 8.407 -3.689 -1.981 93 HD22 LEU 544 1HD2 LEU 544 8.894 -2.978 -0.439 94 HD23 LEU 544 2HD2 LEU 544 7.174 -3.033 -0.884 95 H PHE 545 H PHE 545 8.757 -2.430 3.348 96 HA PHE 545 HA PHE 545 11.119 -1.403 1.857 97 HB2 PHE 545 2HB PHE 545 8.816 -0.023 3.261 98 HB3 PHE 545 3HB PHE 545 10.174 0.815 2.547 99 HD1 PHE 545 1HD PHE 545 7.162 -1.215 1.755 100 HD2 PHE 545 2HD PHE 545 10.269 1.326 0.216 101 HE1 PHE 545 1HE PHE 545 5.751 -0.676 -0.216 102 HE2 PHE 545 2HE PHE 545 8.848 1.886 -1.732 103 HZ PHE 545 HZ PHE 545 6.545 0.958 -1.888 104 H ALA 546 H ALA 546 10.694 -2.839 4.830 105 HA ALA 546 HA ALA 546 11.348 -0.864 6.784 106 HB1 ALA 546 1HB ALA 546 11.845 -3.871 6.654 107 HB2 ALA 546 2HB ALA 546 11.900 -2.899 8.134 108 HB3 ALA 546 3HB ALA 546 10.359 -3.077 7.272 109 H ASN 547 H ASN 547 13.226 -3.020 4.850 110 HA ASN 547 HA ASN 547 15.847 -2.338 6.073 111 HB2 ASN 547 2HB ASN 547 14.430 -4.801 4.992 112 HB3 ASN 547 3HB ASN 547 16.135 -4.736 4.881 113 HD21 ASN 547 HD21 ASN 547 13.496 -5.260 7.065 114 HD22 ASN 547 HD22 ASN 547 14.546 -5.670 8.403 115 H ALA 548 H ALA 548 14.268 -0.979 3.866 116 HA ALA 548 HA ALA 548 15.728 -1.371 1.380 117 HB1 ALA 548 1HB ALA 548 14.176 0.405 0.555 118 HB2 ALA 548 2HB ALA 548 13.283 -0.819 1.485 119 HB3 ALA 548 3HB ALA 548 13.700 0.747 2.209 120 H ASP 549 H ASP 549 16.714 0.346 0.161 121 HA ASP 549 HA ASP 549 18.605 2.064 1.506 122 HB2 ASP 549 2HB ASP 549 19.012 1.062 -0.690 123 HB3 ASP 549 3HB ASP 549 17.645 1.912 -1.379 124 HA PRO 550 HA PRO 550 15.455 5.058 2.571 125 HB2 PRO 550 2HB PRO 550 16.987 7.208 3.337 126 HB3 PRO 550 3HB PRO 550 16.851 5.696 4.278 127 HG2 PRO 550 2HG PRO 550 18.994 6.422 2.251 128 HG3 PRO 550 3HG PRO 550 19.237 5.879 3.950 129 HD2 PRO 550 2HD PRO 550 19.371 4.123 1.922 130 HD3 PRO 550 3HD PRO 550 18.495 3.668 3.419 131 H ASN 551 H ASN 551 17.513 5.479 -0.100 132 HA ASN 551 HA ASN 551 16.404 8.127 -0.910 133 HB2 ASN 551 2HB ASN 551 18.537 6.512 -2.346 134 HB3 ASN 551 3HB ASN 551 18.143 8.214 -2.533 135 HD21 ASN 551 HD21 ASN 551 19.753 5.826 -0.567 136 HD22 ASN 551 HD22 ASN 551 20.764 6.984 0.315 137 H PHE 552 H PHE 552 16.660 4.720 -1.896 138 HA PHE 552 HA PHE 552 15.039 4.794 -4.256 139 HB2 PHE 552 2HB PHE 552 16.358 2.847 -3.777 140 HB3 PHE 552 3HB PHE 552 15.656 2.675 -2.181 141 HD1 PHE 552 2HD PHE 552 14.325 2.853 -5.709 142 HD2 PHE 552 1HD PHE 552 14.200 0.906 -1.876 143 HE1 PHE 552 2HE PHE 552 12.712 1.199 -6.606 144 HE2 PHE 552 1HE PHE 552 12.532 -0.706 -2.753 145 HZ PHE 552 HZ PHE 552 11.807 -0.571 -5.137 146 H VAL 553 H VAL 553 14.095 4.143 -0.839 147 HA VAL 553 HA VAL 553 11.351 3.774 -1.391 148 HB VAL 553 HB VAL 553 10.855 3.993 0.882 149 HG11 VAL 553 1HG1 VAL 553 12.317 2.375 1.771 150 HG12 VAL 553 2HG1 VAL 553 12.368 2.096 0.009 151 HG13 VAL 553 3HG1 VAL 553 13.694 2.963 0.807 152 HG21 VAL 553 3HG2 VAL 553 11.975 6.011 1.655 153 HG22 VAL 553 1HG2 VAL 553 12.550 4.612 2.597 154 HG23 VAL 553 2HG2 VAL 553 13.566 5.279 1.308 155 H THR 554 H THR 554 13.177 6.663 -0.883 156 HA THR 554 HA THR 554 10.949 8.527 -0.584 157 HB THR 554 HB THR 554 13.944 8.985 -0.855 158 HG1 THR 554 1HG THR 554 13.854 8.284 1.089 159 HG21 THR 554 1HG2 THR 554 11.656 10.850 -0.116 160 HG22 THR 554 2HG2 THR 554 12.792 11.017 -1.478 161 HG23 THR 554 3HG2 THR 554 13.378 11.203 0.189 162 H ALA 555 H ALA 555 13.267 7.698 -3.235 163 HA ALA 555 HA ALA 555 12.518 9.890 -4.910 164 HB1 ALA 555 1HB ALA 555 14.632 8.641 -5.126 165 HB2 ALA 555 2HB ALA 555 13.746 7.154 -5.533 166 HB3 ALA 555 3HB ALA 555 13.719 8.538 -6.640 167 H MET 556 H MET 556 11.003 6.890 -4.177 168 HA MET 556 HA MET 556 9.293 6.548 -6.464 169 HB2 MET 556 2HB MET 556 10.029 4.987 -4.565 170 HB3 MET 556 3HB MET 556 8.760 5.719 -3.580 171 HG2 MET 556 2HG MET 556 7.060 4.985 -5.186 172 HG3 MET 556 3HG MET 556 8.298 4.385 -6.278 173 HE1 MET 556 3HE MET 556 10.252 2.695 -5.250 174 HE2 MET 556 1HE MET 556 10.188 3.031 -3.495 175 HE3 MET 556 2HE MET 556 9.839 1.400 -4.097 176 H LEU 557 H LEU 557 9.146 8.772 -3.766 177 HA LEU 557 HA LEU 557 6.247 9.040 -3.803 178 HB2 LEU 557 2HB LEU 557 8.291 10.779 -2.363 179 HB3 LEU 557 3HB LEU 557 6.597 10.566 -1.950 180 HG LEU 557 HG LEU 557 8.779 8.445 -1.695 181 HD11 LEU 557 1HD1 LEU 557 7.298 9.993 0.451 182 HD12 LEU 557 2HD1 LEU 557 8.961 10.314 -0.093 183 HD13 LEU 557 3HD1 LEU 557 8.576 8.766 0.667 184 HD21 LEU 557 3HD2 LEU 557 6.601 7.383 -2.118 185 HD22 LEU 557 1HD2 LEU 557 5.862 8.359 -0.819 186 HD23 LEU 557 2HD2 LEU 557 7.107 7.147 -0.444 187 H THR 558 H THR 558 8.791 10.603 -5.552 188 HA THR 558 HA THR 558 8.265 13.262 -5.520 189 HB THR 558 HB THR 558 10.163 12.302 -6.666 190 HG1 THR 558 1HG THR 558 10.003 14.257 -7.397 191 HG21 THR 558 1HG2 THR 558 8.935 10.434 -7.894 192 HG22 THR 558 2HG2 THR 558 10.121 11.329 -8.836 193 HG23 THR 558 3HG2 THR 558 8.396 11.664 -9.062 194 H LYS 559 H LYS 559 6.513 11.016 -7.571 195 HA LYS 559 HA LYS 559 4.607 13.111 -8.525 196 HB2 LYS 559 2HB LYS 559 4.077 11.499 -10.304 197 HB3 LYS 559 3HB LYS 559 5.787 11.881 -10.276 198 HG2 LYS 559 2HG LYS 559 6.390 9.749 -9.930 199 HG3 LYS 559 3HG LYS 559 5.289 9.527 -8.580 200 HD2 LYS 559 2HD LYS 559 4.421 9.365 -11.484 201 HD3 LYS 559 3HD LYS 559 4.968 7.985 -10.526 202 HE2 LYS 559 2HE LYS 559 3.135 8.200 -8.954 203 HE3 LYS 559 3HE LYS 559 2.630 9.737 -9.697 204 HZ1 LYS 559 3HZ LYS 559 2.508 7.078 -10.985 205 HZ2 LYS 559 1HZ LYS 559 2.164 8.486 -11.752 206 HZ3 LYS 559 2HZ LYS 559 1.223 7.997 -10.511 207 H LEU 560 H LEU 560 4.633 11.158 -5.931 208 HA LEU 560 HA LEU 560 2.601 9.230 -6.334 209 HB2 LEU 560 2HB LEU 560 4.418 9.223 -4.665 210 HB3 LEU 560 3HB LEU 560 3.583 10.477 -3.728 211 HG LEU 560 HG LEU 560 1.661 8.929 -3.437 212 HD11 LEU 560 1HD1 LEU 560 2.094 6.519 -4.123 213 HD12 LEU 560 2HD1 LEU 560 3.447 7.190 -5.115 214 HD13 LEU 560 3HD1 LEU 560 1.732 7.584 -5.452 215 HD21 LEU 560 3HD2 LEU 560 4.212 7.405 -2.833 216 HD22 LEU 560 1HD2 LEU 560 2.652 7.300 -1.986 217 HD23 LEU 560 2HD2 LEU 560 3.628 8.779 -1.834 218 H LYS 561 H LYS 561 0.448 9.158 -5.511 219 HA LYS 561 HA LYS 561 -0.840 11.812 -5.065 220 HB2 LYS 561 2HB LYS 561 -1.316 10.242 -7.177 221 HB3 LYS 561 3HB LYS 561 -2.474 9.524 -6.074 222 HG2 LYS 561 2HG LYS 561 -3.849 11.172 -6.812 223 HG3 LYS 561 3HG LYS 561 -2.991 12.220 -5.697 224 HD2 LYS 561 2HD LYS 561 -2.434 11.836 -8.673 225 HD3 LYS 561 3HD LYS 561 -3.163 13.242 -7.906 226 HE2 LYS 561 2HE LYS 561 -0.997 13.656 -6.685 227 HE3 LYS 561 3HE LYS 561 -0.277 12.291 -7.554 228 HZ1 LYS 561 3HZ LYS 561 0.215 14.338 -8.738 229 HZ2 LYS 561 1HZ LYS 561 -1.378 14.765 -8.783 230 HZ3 LYS 561 2HZ LYS 561 -0.865 13.484 -9.644 231 H PHE 562 H PHE 562 -1.964 12.210 -3.449 232 HA PHE 562 HA PHE 562 -2.780 10.084 -1.535 233 HB2 PHE 562 2HB PHE 562 -2.578 11.404 0.186 234 HB3 PHE 562 3HB PHE 562 -1.502 12.322 -0.838 235 HD1 PHE 562 1HD PHE 562 -4.949 12.097 0.521 236 HD2 PHE 562 2HD PHE 562 -2.025 14.615 -1.382 237 HE1 PHE 562 1HE PHE 562 -6.364 14.119 0.997 238 HE2 PHE 562 2HE PHE 562 -3.398 16.621 -0.865 239 HZ PHE 562 HZ PHE 562 -5.563 16.372 0.334 240 H GLU 563 H GLU 563 -4.999 9.996 -0.798 241 HA GLU 563 HA GLU 563 -7.010 11.269 -2.528 242 HB2 GLU 563 2HB GLU 563 -7.652 9.418 -3.702 243 HB3 GLU 563 3HB GLU 563 -5.941 9.189 -3.676 244 HG2 GLU 563 2HG GLU 563 -6.166 7.537 -1.840 245 HG3 GLU 563 3HG GLU 563 -7.924 7.769 -1.846 246 H VAL 564 H VAL 564 -9.273 10.718 -1.815 247 HA VAL 564 HA VAL 564 -9.400 10.096 1.091 248 HB VAL 564 HB VAL 564 -10.926 12.180 -0.496 249 HG11 VAL 564 1HG1 VAL 564 -11.789 13.009 1.523 250 HG12 VAL 564 2HG1 VAL 564 -12.315 11.368 1.365 251 HG13 VAL 564 3HG1 VAL 564 -10.988 11.743 2.502 252 HG21 VAL 564 3HG2 VAL 564 -9.628 13.731 1.103 253 HG22 VAL 564 1HG2 VAL 564 -8.590 12.307 1.431 254 HG23 VAL 564 2HG2 VAL 564 -8.700 12.971 -0.209 255 H PHE 565 H PHE 565 -11.187 9.207 1.965 256 HA PHE 565 HA PHE 565 -13.514 8.610 0.227 257 HB2 PHE 565 2HB PHE 565 -12.353 6.513 2.083 258 HB3 PHE 565 3HB PHE 565 -13.880 6.407 1.247 259 HD1 PHE 565 1HD PHE 565 -10.164 6.678 0.639 260 HD2 PHE 565 2HD PHE 565 -14.012 5.479 -0.910 261 HE1 PHE 565 1HE PHE 565 -9.054 5.604 -1.311 262 HE2 PHE 565 2HE PHE 565 -12.891 4.354 -2.804 263 HZ PHE 565 HZ PHE 565 -10.415 4.440 -3.033 264 H GLN 566 H GLN 566 -15.523 8.645 1.321 265 HA GLN 566 HA GLN 566 -15.529 10.185 3.862 266 HB2 GLN 566 2HB GLN 566 -17.769 9.334 2.004 267 HB3 GLN 566 3HB GLN 566 -17.951 10.449 3.346 268 HG2 GLN 566 2HG GLN 566 -16.692 10.825 0.640 269 HG3 GLN 566 3HG GLN 566 -18.002 11.735 1.386 270 HE21 GLN 566 HE21 GLN 566 -14.726 11.779 0.644 271 HE22 GLN 566 HE22 GLN 566 -14.235 12.964 1.842 272 HA PRO 567 HA PRO 567 -16.522 6.873 6.534 273 HB2 PRO 567 2HB PRO 567 -19.077 8.050 7.514 274 HB3 PRO 567 3HB PRO 567 -17.597 7.632 8.416 275 HG2 PRO 567 2HG PRO 567 -18.374 10.226 7.767 276 HG3 PRO 567 3HG PRO 567 -16.686 9.737 8.027 277 HD2 PRO 567 2HD PRO 567 -18.116 10.294 5.485 278 HD3 PRO 567 3HD PRO 567 -16.384 10.452 5.861 279 H GLY 568 H GLY 568 -17.412 4.848 6.372 280 HA2 GLY 568 2HA GLY 568 -19.143 3.344 6.596 281 HA3 GLY 568 3HA GLY 568 -20.305 4.546 6.021 282 H ASP 569 H ASP 569 -17.480 4.295 4.078 283 HA ASP 569 HA ASP 569 -18.955 2.720 2.082 284 HB2 ASP 569 2HB ASP 569 -18.866 5.179 1.648 285 HB3 ASP 569 3HB ASP 569 -17.104 5.074 1.581 286 H TYR 570 H TYR 570 -17.820 1.338 0.708 287 HA TYR 570 HA TYR 570 -15.418 0.152 1.923 288 HB2 TYR 570 2HB TYR 570 -17.244 -0.744 -0.295 289 HB3 TYR 570 3HB TYR 570 -15.703 -1.524 0.047 290 HD1 TYR 570 HD1 TYR 570 -18.996 -0.652 1.614 291 HD2 TYR 570 HD2 TYR 570 -15.423 -3.058 1.848 292 HE1 TYR 570 HE1 TYR 570 -19.967 -1.905 3.515 293 HE2 TYR 570 HE2 TYR 570 -16.405 -4.313 3.753 294 HH TYR 570 HH TYR 570 -19.704 -3.650 4.973 295 H ILE 571 H ILE 571 -13.368 0.461 1.318 296 HA ILE 571 HA ILE 571 -12.881 2.534 -0.700 297 HB ILE 571 HB ILE 571 -10.618 2.546 0.160 298 HG12 ILE 571 2HG1 ILE 571 -11.376 0.586 2.364 299 HG13 ILE 571 3HG1 ILE 571 -10.719 0.005 0.839 300 HG21 ILE 571 1HG2 ILE 571 -11.046 3.374 2.421 301 HG22 ILE 571 2HG2 ILE 571 -12.344 3.900 1.331 302 HG23 ILE 571 3HG2 ILE 571 -12.624 2.572 2.463 303 HD11 ILE 571 3HD1 ILE 571 -8.778 1.348 1.005 304 HD12 ILE 571 1HD1 ILE 571 -9.309 1.933 2.616 305 HD13 ILE 571 2HD1 ILE 571 -8.956 0.207 2.356 306 H ILE 572 H ILE 572 -12.360 -0.913 -0.434 307 HA ILE 572 HA ILE 572 -11.011 -1.072 -3.069 308 HB ILE 572 HB ILE 572 -10.265 -2.359 -0.423 309 HG12 ILE 572 2HG1 ILE 572 -8.723 -0.676 -2.440 310 HG13 ILE 572 3HG1 ILE 572 -9.386 -0.078 -0.950 311 HG21 ILE 572 1HG2 ILE 572 -10.131 -4.156 -2.090 312 HG22 ILE 572 2HG2 ILE 572 -9.226 -3.079 -3.194 313 HG23 ILE 572 3HG2 ILE 572 -8.513 -3.635 -1.669 314 HD11 ILE 572 3HD1 ILE 572 -7.088 -2.027 -1.176 315 HD12 ILE 572 1HD1 ILE 572 -7.091 -0.379 -0.541 316 HD13 ILE 572 2HD1 ILE 572 -7.945 -1.663 0.348 317 H ARG 573 H ARG 573 -11.549 -2.857 -4.310 318 HA ARG 573 HA ARG 573 -13.156 -5.081 -3.096 319 HB2 ARG 573 2HB ARG 573 -14.365 -3.726 -4.941 320 HB3 ARG 573 3HB ARG 573 -13.123 -4.308 -6.046 321 HG2 ARG 573 2HG ARG 573 -13.850 -6.695 -5.273 322 HG3 ARG 573 3HG ARG 573 -15.264 -5.914 -4.592 323 HD2 ARG 573 2HD ARG 573 -14.390 -5.644 -7.510 324 HD3 ARG 573 3HD ARG 573 -15.445 -6.935 -6.926 325 HE ARG 573 HE ARG 573 -16.608 -4.501 -6.081 326 HH11 ARG 573 1HH1 ARG 573 -16.010 -6.171 -9.118 327 HH12 ARG 573 2HH1 ARG 573 -17.592 -5.777 -9.729 328 HH21 ARG 573 1HH2 ARG 573 -18.556 -3.906 -7.037 329 HH22 ARG 573 2HH2 ARG 573 -18.786 -4.221 -8.749 330 H GLU 574 H GLU 574 -12.404 -7.244 -3.623 331 HA GLU 574 HA GLU 574 -9.810 -7.310 -5.059 332 HB2 GLU 574 2HB GLU 574 -10.518 -8.750 -2.757 333 HB3 GLU 574 3HB GLU 574 -10.653 -9.924 -4.065 334 HG2 GLU 574 2HG GLU 574 -8.254 -8.198 -3.369 335 HG3 GLU 574 3HG GLU 574 -8.379 -9.939 -3.140 336 H GLY 575 H GLY 575 -9.505 -8.396 -6.880 337 HA2 GLY 575 2HA GLY 575 -11.290 -10.090 -8.250 338 HA3 GLY 575 3HA GLY 575 -11.715 -8.440 -8.714 339 H THR 576 H THR 576 -8.253 -8.752 -8.116 340 HA THR 576 HA THR 576 -7.733 -9.714 -10.827 341 HB THR 576 HB THR 576 -8.273 -7.436 -11.339 342 HG1 THR 576 1HG THR 576 -5.493 -7.661 -11.624 343 HG21 THR 576 1HG2 THR 576 -7.568 -6.286 -9.252 344 HG22 THR 576 2HG2 THR 576 -6.845 -5.555 -10.692 345 HG23 THR 576 3HG2 THR 576 -5.869 -6.617 -9.650 346 H ILE 577 H ILE 577 -5.732 -10.171 -11.345 347 HA ILE 577 HA ILE 577 -3.650 -10.520 -9.297 348 HB ILE 577 HB ILE 577 -3.806 -10.932 -12.333 349 HG12 ILE 577 2HG1 ILE 577 -3.117 -13.355 -11.350 350 HG13 ILE 577 3HG1 ILE 577 -3.915 -12.737 -9.914 351 HG21 ILE 577 1HG2 ILE 577 -1.586 -11.968 -12.272 352 HG22 ILE 577 2HG2 ILE 577 -1.503 -10.257 -11.884 353 HG23 ILE 577 3HG2 ILE 577 -1.402 -11.478 -10.581 354 HD11 ILE 577 3HD1 ILE 577 -5.990 -12.400 -11.281 355 HD12 ILE 577 1HD1 ILE 577 -5.113 -13.011 -12.701 356 HD13 ILE 577 2HD1 ILE 577 -5.415 -14.072 -11.307 357 H GLY 578 H GLY 578 -1.859 -9.117 -9.032 358 HA2 GLY 578 2HA GLY 578 -0.303 -7.482 -9.605 359 HA3 GLY 578 3HA GLY 578 -1.202 -7.102 -11.071 360 H LYS 579 H LYS 579 -2.077 -7.049 -7.610 361 HA LYS 579 HA LYS 579 -3.701 -4.706 -7.823 362 HB2 LYS 579 2HB LYS 579 -3.551 -6.775 -6.086 363 HB3 LYS 579 3HB LYS 579 -2.540 -5.652 -5.192 364 HG2 LYS 579 2HG LYS 579 -4.778 -5.530 -4.350 365 HG3 LYS 579 3HG LYS 579 -4.467 -4.018 -5.208 366 HD2 LYS 579 2HD LYS 579 -5.745 -4.837 -7.163 367 HD3 LYS 579 3HD LYS 579 -6.004 -6.408 -6.386 368 HE2 LYS 579 2HE LYS 579 -6.897 -3.832 -5.053 369 HE3 LYS 579 3HE LYS 579 -7.843 -4.604 -6.333 370 HZ1 LYS 579 3HZ LYS 579 -7.134 -5.828 -3.726 371 HZ2 LYS 579 1HZ LYS 579 -7.696 -6.691 -5.020 372 HZ3 LYS 579 2HZ LYS 579 -8.629 -5.508 -4.342 373 H LYS 580 H LYS 580 -3.461 -2.690 -6.511 374 HA LYS 580 HA LYS 580 -0.774 -1.466 -6.844 375 HB2 LYS 580 2HB LYS 580 -3.234 -0.146 -5.670 376 HB3 LYS 580 3HB LYS 580 -1.846 0.631 -6.386 377 HG2 LYS 580 2HG LYS 580 -3.896 -0.991 -7.964 378 HG3 LYS 580 3HG LYS 580 -3.927 0.751 -7.736 379 HD2 LYS 580 2HD LYS 580 -1.649 0.914 -8.746 380 HD3 LYS 580 3HD LYS 580 -1.708 -0.819 -9.106 381 HE2 LYS 580 2HE LYS 580 -3.823 1.161 -10.058 382 HE3 LYS 580 3HE LYS 580 -2.351 0.846 -10.986 383 HZ1 LYS 580 3HZ LYS 580 -2.958 -1.436 -11.181 384 HZ2 LYS 580 1HZ LYS 580 -4.193 -0.505 -11.728 385 HZ3 LYS 580 2HZ LYS 580 -4.320 -1.260 -10.266 386 H MET 581 H MET 581 -0.149 0.091 -4.918 387 HA MET 581 HA MET 581 -0.589 -1.299 -2.297 388 HB2 MET 581 2HB MET 581 1.765 -1.069 -3.265 389 HB3 MET 581 3HB MET 581 1.634 0.660 -2.948 390 HG2 MET 581 2HG MET 581 1.256 -1.526 -0.862 391 HG3 MET 581 3HG MET 581 2.803 -0.745 -1.199 392 HE1 MET 581 3HE MET 581 1.649 0.610 2.349 393 HE2 MET 581 1HE MET 581 1.516 -1.028 1.624 394 HE3 MET 581 2HE MET 581 3.026 -0.098 1.479 395 H TYR 582 H TYR 582 -1.576 -0.172 -0.613 396 HA TYR 582 HA TYR 582 -2.305 2.665 -1.051 397 HB2 TYR 582 2HB TYR 582 -4.464 0.875 -0.045 398 HB3 TYR 582 3HB TYR 582 -4.580 2.405 -0.839 399 HD1 TYR 582 HD2 TYR 582 -3.783 -1.190 -1.433 400 HD2 TYR 582 HD1 TYR 582 -5.346 2.438 -3.120 401 HE1 TYR 582 HE2 TYR 582 -4.547 -2.458 -3.440 402 HE2 TYR 582 HE1 TYR 582 -6.133 1.179 -5.107 403 HH TYR 582 HH TYR 582 -6.178 -0.864 -6.199 404 H PHE 583 H PHE 583 -2.644 3.846 0.937 405 HA PHE 583 HA PHE 583 -2.281 2.392 3.455 406 HB2 PHE 583 2HB PHE 583 -0.116 3.278 4.045 407 HB3 PHE 583 3HB PHE 583 -0.035 2.342 2.600 408 HD1 PHE 583 1HD PHE 583 0.183 5.815 3.917 409 HD2 PHE 583 2HD PHE 583 0.657 3.257 0.493 410 HE1 PHE 583 1HE PHE 583 1.645 7.518 2.830 411 HE2 PHE 583 2HE PHE 583 2.177 4.915 -0.551 412 HZ PHE 583 HZ PHE 583 2.734 7.022 0.655 413 H ILE 584 H ILE 584 -2.305 3.629 5.397 414 HA ILE 584 HA ILE 584 -4.327 5.758 5.053 415 HB ILE 584 HB ILE 584 -3.563 4.411 7.668 416 HG12 ILE 584 2HG1 ILE 584 -5.465 3.377 5.510 417 HG13 ILE 584 3HG1 ILE 584 -4.012 2.594 6.118 418 HG21 ILE 584 1HG2 ILE 584 -5.853 5.052 8.309 419 HG22 ILE 584 2HG2 ILE 584 -5.057 6.485 7.672 420 HG23 ILE 584 3HG2 ILE 584 -6.237 5.606 6.678 421 HD11 ILE 584 3HD1 ILE 584 -5.600 1.414 7.192 422 HD12 ILE 584 1HD1 ILE 584 -5.218 2.633 8.425 423 HD13 ILE 584 2HD1 ILE 584 -6.678 2.821 7.430 424 H GLN 585 H GLN 585 -3.755 7.828 5.125 425 HA GLN 585 HA GLN 585 -1.233 8.623 6.488 426 HB2 GLN 585 2HB GLN 585 -1.419 9.166 4.204 427 HB3 GLN 585 3HB GLN 585 -2.985 9.948 4.396 428 HG2 GLN 585 2HG GLN 585 -0.743 11.077 6.046 429 HG3 GLN 585 3HG GLN 585 -0.557 11.222 4.310 430 HE21 GLN 585 HE21 GLN 585 -1.841 12.828 6.974 431 HE22 GLN 585 HE22 GLN 585 -2.943 13.871 6.075 432 H HIS 586 H HIS 586 -4.693 9.725 6.402 433 HA HIS 586 HA HIS 586 -4.498 9.806 9.327 434 HB2 HIS 586 2HB HIS 586 -3.902 12.163 8.403 435 HB3 HIS 586 3HB HIS 586 -5.615 12.314 8.030 436 HD1 HIS 586 1HD HIS 586 -3.166 12.630 10.838 437 HD2 HIS 586 2HD HIS 586 -7.295 11.924 10.340 438 HE1 HIS 586 1HE HIS 586 -4.224 12.846 13.157 439 H GLY 587 H GLY 587 -6.105 8.312 9.784 440 HA2 GLY 587 2HA GLY 587 -8.825 8.725 9.343 441 HA3 GLY 587 3HA GLY 587 -8.240 7.792 7.963 442 H VAL 588 H VAL 588 -10.079 6.627 9.416 443 HA VAL 588 HA VAL 588 -8.624 4.387 10.661 444 HB VAL 588 HB VAL 588 -11.257 5.502 11.720 445 HG11 VAL 588 1HG1 VAL 588 -11.128 3.040 12.004 446 HG12 VAL 588 2HG1 VAL 588 -9.554 3.226 12.811 447 HG13 VAL 588 3HG1 VAL 588 -11.025 3.887 13.542 448 HG21 VAL 588 3HG2 VAL 588 -8.470 5.535 12.957 449 HG22 VAL 588 1HG2 VAL 588 -9.408 6.950 12.432 450 HG23 VAL 588 2HG2 VAL 588 -9.969 5.989 13.796 451 H VAL 589 H VAL 589 -9.490 2.362 10.119 452 HA VAL 589 HA VAL 589 -11.812 2.243 8.246 453 HB VAL 589 HB VAL 589 -10.688 0.510 6.927 454 HG11 VAL 589 1HG1 VAL 589 -9.104 3.107 6.944 455 HG12 VAL 589 2HG1 VAL 589 -9.202 1.928 5.615 456 HG13 VAL 589 3HG1 VAL 589 -10.638 2.825 6.094 457 HG21 VAL 589 3HG2 VAL 589 -9.058 -0.334 8.515 458 HG22 VAL 589 1HG2 VAL 589 -8.270 0.162 7.033 459 HG23 VAL 589 2HG2 VAL 589 -8.171 1.207 8.473 460 H SER 590 H SER 590 -13.095 0.491 8.410 461 HA SER 590 HA SER 590 -12.348 -1.666 10.393 462 HB2 SER 590 2HB SER 590 -15.002 -1.046 9.096 463 HB3 SER 590 3HB SER 590 -14.630 -2.582 9.894 464 HG SER 590 HG SER 590 -14.687 0.020 11.053 465 H VAL 591 H VAL 591 -11.091 -3.111 9.511 466 HA VAL 591 HA VAL 591 -11.223 -4.052 6.707 467 HB VAL 591 HB VAL 591 -9.729 -5.342 9.011 468 HG11 VAL 591 1HG1 VAL 591 -8.139 -6.007 7.208 469 HG12 VAL 591 2HG1 VAL 591 -9.750 -6.661 6.961 470 HG13 VAL 591 3HG1 VAL 591 -9.211 -5.261 6.008 471 HG21 VAL 591 3HG2 VAL 591 -7.734 -4.088 8.427 472 HG22 VAL 591 1HG2 VAL 591 -8.672 -3.058 7.314 473 HG23 VAL 591 2HG2 VAL 591 -8.985 -3.030 9.072 474 H LEU 592 H LEU 592 -12.038 -6.052 6.087 475 HA LEU 592 HA LEU 592 -13.271 -7.824 8.184 476 HB2 LEU 592 2HB LEU 592 -13.912 -7.657 5.202 477 HB3 LEU 592 3HB LEU 592 -14.553 -8.835 6.318 478 HG LEU 592 HG LEU 592 -16.263 -7.313 5.856 479 HD11 LEU 592 1HD1 LEU 592 -15.181 -6.538 8.573 480 HD12 LEU 592 2HD1 LEU 592 -16.055 -8.048 8.224 481 HD13 LEU 592 3HD1 LEU 592 -16.877 -6.486 8.050 482 HD21 LEU 592 3HD2 LEU 592 -14.656 -4.935 6.843 483 HD22 LEU 592 1HD2 LEU 592 -16.252 -4.964 6.080 484 HD23 LEU 592 2HD2 LEU 592 -14.813 -5.379 5.129 485 H THR 593 H THR 593 -12.426 -9.960 8.287 486 HA THR 593 HA THR 593 -10.664 -10.735 5.998 487 HB THR 593 HB THR 593 -9.776 -12.492 7.743 488 HG1 THR 593 1HG THR 593 -9.433 -11.578 9.680 489 HG21 THR 593 1HG2 THR 593 -7.894 -10.958 8.157 490 HG22 THR 593 2HG2 THR 593 -8.869 -9.602 7.534 491 HG23 THR 593 3HG2 THR 593 -8.404 -10.947 6.467 492 H LYS 594 H LYS 594 -10.773 -12.560 5.001 493 HA LYS 594 HA LYS 594 -13.153 -13.917 4.600 494 HB2 LYS 594 2HB LYS 594 -12.010 -15.348 3.196 495 HB3 LYS 594 3HB LYS 594 -11.147 -13.829 3.101 496 HG2 LYS 594 2HG LYS 594 -10.300 -16.342 4.578 497 HG3 LYS 594 3HG LYS 594 -9.644 -15.736 3.065 498 HD2 LYS 594 2HD LYS 594 -8.728 -13.744 4.246 499 HD3 LYS 594 3HD LYS 594 -9.334 -14.382 5.772 500 HE2 LYS 594 2HE LYS 594 -7.000 -14.855 5.644 501 HE3 LYS 594 3HE LYS 594 -7.890 -16.377 5.569 502 HZ1 LYS 594 3HZ LYS 594 -7.419 -16.536 3.250 503 HZ2 LYS 594 1HZ LYS 594 -5.993 -16.090 3.937 504 HZ3 LYS 594 2HZ LYS 594 -6.906 -14.984 3.147 505 H GLY 595 H GLY 595 -14.320 -15.355 5.606 506 HA2 GLY 595 2HA GLY 595 -14.800 -17.276 6.961 507 HA3 GLY 595 3HA GLY 595 -13.125 -17.244 7.557 508 H ASN 596 H ASN 596 -13.730 -14.168 7.989 509 HA ASN 596 HA ASN 596 -14.029 -14.890 10.861 510 HB2 ASN 596 2HB ASN 596 -11.946 -13.085 9.701 511 HB3 ASN 596 3HB ASN 596 -11.952 -13.855 11.234 512 HD21 ASN 596 HD21 ASN 596 -9.644 -13.923 9.854 513 HD22 ASN 596 HD22 ASN 596 -9.340 -15.602 9.505 514 H LYS 597 H LYS 597 -12.921 -12.250 11.591 515 HA LYS 597 HA LYS 597 -15.534 -10.886 11.765 516 HB2 LYS 597 2HB LYS 597 -13.203 -10.672 13.719 517 HB3 LYS 597 3HB LYS 597 -14.861 -10.142 13.939 518 HG2 LYS 597 2HG LYS 597 -14.884 -11.978 15.234 519 HG3 LYS 597 3HG LYS 597 -15.508 -12.659 13.746 520 HD2 LYS 597 2HD LYS 597 -12.551 -12.885 13.935 521 HD3 LYS 597 3HD LYS 597 -13.379 -13.579 15.342 522 HE2 LYS 597 2HE LYS 597 -14.864 -14.759 13.509 523 HE3 LYS 597 3HE LYS 597 -13.492 -14.311 12.453 524 HZ1 LYS 597 3HZ LYS 597 -13.253 -16.544 13.395 525 HZ2 LYS 597 1HZ LYS 597 -13.227 -15.909 14.924 526 HZ3 LYS 597 2HZ LYS 597 -12.025 -15.548 13.876 527 H GLU 598 H GLU 598 -15.139 -8.534 12.613 528 HA GLU 598 HA GLU 598 -13.494 -7.207 10.575 529 HB2 GLU 598 2HB GLU 598 -14.635 -5.147 11.088 530 HB3 GLU 598 3HB GLU 598 -15.783 -6.419 10.690 531 HG2 GLU 598 2HG GLU 598 -15.148 -5.721 13.578 532 HG3 GLU 598 3HG GLU 598 -16.320 -4.833 12.616 533 H MET 599 H MET 599 -12.130 -5.432 11.042 534 HA MET 599 HA MET 599 -10.925 -5.271 13.775 535 HB2 MET 599 2HB MET 599 -9.440 -5.851 11.190 536 HB3 MET 599 3HB MET 599 -8.662 -5.436 12.717 537 HG2 MET 599 2HG MET 599 -9.515 -7.405 13.786 538 HG3 MET 599 3HG MET 599 -10.478 -7.849 12.377 539 HE1 MET 599 3HE MET 599 -8.453 -7.378 9.849 540 HE2 MET 599 1HE MET 599 -7.924 -9.071 9.745 541 HE3 MET 599 2HE MET 599 -9.619 -8.701 10.114 542 H LYS 600 H LYS 600 -10.498 -3.284 14.387 543 HA LYS 600 HA LYS 600 -10.589 -1.075 12.460 544 HB2 LYS 600 2HB LYS 600 -10.745 -1.277 15.414 545 HB3 LYS 600 3HB LYS 600 -9.810 0.096 14.841 546 HG2 LYS 600 2HG LYS 600 -12.084 0.814 15.081 547 HG3 LYS 600 3HG LYS 600 -11.631 0.827 13.384 548 HD2 LYS 600 2HD LYS 600 -13.859 -0.035 13.531 549 HD3 LYS 600 3HD LYS 600 -12.798 -1.344 13.048 550 HE2 LYS 600 2HE LYS 600 -14.432 -2.135 14.659 551 HE3 LYS 600 3HE LYS 600 -12.820 -2.234 15.378 552 HZ1 LYS 600 3HZ LYS 600 -13.294 -0.365 16.737 553 HZ2 LYS 600 1HZ LYS 600 -14.694 -1.247 16.778 554 HZ3 LYS 600 2HZ LYS 600 -14.591 0.088 15.829 555 H LEU 601 H LEU 601 -9.053 -0.316 11.366 556 HA LEU 601 HA LEU 601 -6.221 -0.326 12.362 557 HB2 LEU 601 2HB LEU 601 -7.319 -1.037 9.673 558 HB3 LEU 601 3HB LEU 601 -5.926 0.031 9.676 559 HG LEU 601 HG LEU 601 -4.640 -1.624 10.995 560 HD11 LEU 601 1HD1 LEU 601 -6.343 -2.875 12.158 561 HD12 LEU 601 2HD1 LEU 601 -5.565 -3.992 11.034 562 HD13 LEU 601 3HD1 LEU 601 -7.157 -3.303 10.641 563 HD21 LEU 601 3HD2 LEU 601 -4.598 -1.551 8.488 564 HD22 LEU 601 1HD2 LEU 601 -5.876 -2.769 8.453 565 HD23 LEU 601 2HD2 LEU 601 -4.291 -3.164 9.140 566 H SER 602 H SER 602 -4.999 1.505 11.941 567 HA SER 602 HA SER 602 -6.523 4.063 11.645 568 HB2 SER 602 2HB SER 602 -5.216 4.720 13.739 569 HB3 SER 602 3HB SER 602 -6.493 3.519 13.943 570 HG SER 602 HG SER 602 -3.724 3.269 14.155 571 H ASP 603 H ASP 603 -4.824 5.979 11.933 572 HA ASP 603 HA ASP 603 -3.339 6.255 9.665 573 HB2 ASP 603 2HB ASP 603 -2.209 8.117 10.628 574 HB3 ASP 603 3HB ASP 603 -3.842 8.084 11.271 575 H GLY 604 H GLY 604 -1.320 5.879 8.832 576 HA2 GLY 604 2HA GLY 604 0.888 5.130 8.749 577 HA3 GLY 604 3HA GLY 604 0.789 4.650 10.440 578 H SER 605 H SER 605 -1.858 3.188 9.336 579 HA SER 605 HA SER 605 -0.614 0.571 8.895 580 HB2 SER 605 2HB SER 605 -3.518 1.375 8.604 581 HB3 SER 605 3HB SER 605 -2.865 -0.266 8.832 582 HG SER 605 HG SER 605 -3.111 1.896 10.604 583 H TYR 606 H TYR 606 -1.386 -0.809 7.008 584 HA TYR 606 HA TYR 606 -2.099 0.658 4.555 585 HB2 TYR 606 2HB TYR 606 -0.255 -0.127 3.273 586 HB3 TYR 606 3HB TYR 606 0.406 0.707 4.673 587 HD1 TYR 606 HD1 TYR 606 1.356 -0.622 6.577 588 HD2 TYR 606 HD2 TYR 606 0.081 -2.484 2.909 589 HE1 TYR 606 HE1 TYR 606 2.435 -2.772 7.283 590 HE2 TYR 606 HE2 TYR 606 1.163 -4.610 3.591 591 HH TYR 606 HH TYR 606 2.221 -5.747 5.292 592 H PHE 607 H PHE 607 -2.610 -0.686 2.752 593 HA PHE 607 HA PHE 607 -3.018 -3.576 3.119 594 HB2 PHE 607 2HB PHE 607 -5.524 -3.210 2.403 595 HB3 PHE 607 3HB PHE 607 -5.027 -3.104 4.072 596 HD1 PHE 607 1HD PHE 607 -5.328 -0.802 1.106 597 HD2 PHE 607 2HD PHE 607 -5.952 -1.379 5.326 598 HE1 PHE 607 1HE PHE 607 -6.277 1.497 1.284 599 HE2 PHE 607 2HE PHE 607 -6.919 0.915 5.475 600 HZ PHE 607 HZ PHE 607 -6.994 2.370 3.502 601 H GLY 608 H GLY 608 -4.385 -4.314 1.024 602 HA2 GLY 608 2HA GLY 608 -4.587 -3.771 -1.415 603 HA3 GLY 608 3HA GLY 608 -2.910 -3.220 -1.371 604 H GLU 609 H GLU 609 -4.106 -6.208 0.178 605 HA GLU 609 HA GLU 609 -3.462 -8.405 -0.080 606 HB2 GLU 609 2HB GLU 609 -3.914 -7.548 -2.965 607 HB3 GLU 609 3HB GLU 609 -3.779 -9.212 -2.431 608 HG2 GLU 609 2HG GLU 609 -6.086 -8.586 -2.730 609 HG3 GLU 609 3HG GLU 609 -5.749 -9.081 -1.085 610 H ILE 610 H ILE 610 -1.912 -9.626 -2.379 611 HA ILE 610 HA ILE 610 0.784 -8.587 -1.641 612 HB ILE 610 HB ILE 610 0.420 -11.398 -2.622 613 HG12 ILE 610 2HG1 ILE 610 0.938 -11.935 -0.091 614 HG13 ILE 610 3HG1 ILE 610 0.157 -10.395 0.244 615 HG21 ILE 610 1HG2 ILE 610 2.546 -10.061 -0.879 616 HG22 ILE 610 2HG2 ILE 610 2.650 -11.630 -1.703 617 HG23 ILE 610 3HG2 ILE 610 2.665 -10.133 -2.635 618 HD11 ILE 610 3HD1 ILE 610 -1.318 -12.399 0.460 619 HD12 ILE 610 1HD1 ILE 610 -1.942 -11.265 -0.750 620 HD13 ILE 610 2HD1 ILE 610 -1.097 -12.746 -1.263 621 H CYS 611 H CYS 611 1.968 -7.743 -3.132 622 HA CYS 611 HA CYS 611 1.859 -8.560 -5.959 623 HB2 CYS 611 2HB CYS 611 0.160 -6.654 -5.435 624 HB3 CYS 611 3HB CYS 611 1.596 -5.646 -5.202 625 HG CYS 611 HG CYS 611 0.564 -5.218 -7.576 626 H LEU 612 H LEU 612 3.472 -6.583 -6.982 627 HA LEU 612 HA LEU 612 5.545 -5.892 -7.376 628 HB2 LEU 612 2HB LEU 612 5.789 -5.823 -4.358 629 HB3 LEU 612 3HB LEU 612 7.056 -5.281 -5.434 630 HG LEU 612 HG LEU 612 4.242 -4.119 -5.576 631 HD11 LEU 612 1HD1 LEU 612 5.127 -2.269 -4.198 632 HD12 LEU 612 2HD1 LEU 612 6.636 -3.179 -3.957 633 HD13 LEU 612 3HD1 LEU 612 5.101 -3.801 -3.308 634 HD21 LEU 612 3HD2 LEU 612 5.523 -2.178 -6.564 635 HD22 LEU 612 1HD2 LEU 612 5.687 -3.657 -7.536 636 HD23 LEU 612 2HD2 LEU 612 6.996 -3.148 -6.454 637 H LEU 613 H LEU 613 6.175 -8.029 -4.582 638 HA LEU 613 HA LEU 613 8.311 -9.482 -6.007 639 HB2 LEU 613 2HB LEU 613 8.575 -10.667 -3.827 640 HB3 LEU 613 3HB LEU 613 8.855 -8.936 -3.817 641 HG LEU 613 HG LEU 613 6.759 -8.502 -2.676 642 HD11 LEU 613 1HD1 LEU 613 5.218 -10.149 -3.470 643 HD12 LEU 613 2HD1 LEU 613 5.420 -10.448 -1.750 644 HD13 LEU 613 3HD1 LEU 613 6.254 -11.487 -2.930 645 HD21 LEU 613 3HD2 LEU 613 8.753 -9.066 -1.346 646 HD22 LEU 613 1HD2 LEU 613 8.298 -10.782 -1.372 647 HD23 LEU 613 2HD2 LEU 613 7.270 -9.596 -0.542 648 H THR 614 H THR 614 5.073 -9.708 -6.129 649 HA THR 614 HA THR 614 5.140 -12.236 -7.474 650 HB THR 614 HB THR 614 4.787 -12.919 -5.028 651 HG1 THR 614 1HG THR 614 4.125 -14.139 -6.933 652 HG21 THR 614 1HG2 THR 614 2.690 -12.636 -3.993 653 HG22 THR 614 2HG2 THR 614 1.938 -11.952 -5.445 654 HG23 THR 614 3HG2 THR 614 3.154 -11.015 -4.557 655 H ARG 615 H ARG 615 2.754 -12.715 -8.259 656 HA ARG 615 HA ARG 615 0.970 -10.414 -8.081 657 HB2 ARG 615 2HB ARG 615 0.483 -10.181 -10.431 658 HB3 ARG 615 3HB ARG 615 2.168 -9.850 -10.108 659 HG2 ARG 615 2HG ARG 615 2.820 -12.075 -11.008 660 HG3 ARG 615 3HG ARG 615 1.118 -12.442 -11.317 661 HD2 ARG 615 2HD ARG 615 2.041 -11.740 -13.397 662 HD3 ARG 615 3HD ARG 615 0.973 -10.471 -12.824 663 HE ARG 615 HE ARG 615 2.773 -9.032 -12.485 664 HH11 ARG 615 1HH1 ARG 615 4.092 -12.178 -13.398 665 HH12 ARG 615 2HH1 ARG 615 5.564 -11.449 -13.997 666 HH21 ARG 615 1HH2 ARG 615 4.772 -8.248 -13.172 667 HH22 ARG 615 2HH2 ARG 615 6.018 -9.381 -13.622 668 H GLY 616 H GLY 616 -0.981 -11.117 -7.499 669 HA2 GLY 616 2HA GLY 616 -2.255 -13.469 -8.580 670 HA3 GLY 616 3HA GLY 616 -1.531 -13.823 -7.023 671 H ARG 617 H ARG 617 -4.266 -13.979 -7.695 672 HA ARG 617 HA ARG 617 -5.876 -11.831 -6.570 673 HB2 ARG 617 2HB ARG 617 -6.341 -14.770 -7.236 674 HB3 ARG 617 3HB ARG 617 -7.609 -13.779 -6.539 675 HG2 ARG 617 2HG ARG 617 -6.217 -12.733 -8.993 676 HG3 ARG 617 3HG ARG 617 -7.313 -14.098 -9.195 677 HD2 ARG 617 2HD ARG 617 -8.101 -11.475 -7.864 678 HD3 ARG 617 3HD ARG 617 -8.334 -11.835 -9.572 679 HE ARG 617 HE ARG 617 -9.859 -13.638 -9.019 680 HH11 ARG 617 1HH1 ARG 617 -9.238 -11.558 -6.173 681 HH12 ARG 617 2HH1 ARG 617 -10.708 -12.156 -5.438 682 HH21 ARG 617 1HH2 ARG 617 -11.634 -14.316 -7.841 683 HH22 ARG 617 2HH2 ARG 617 -11.955 -13.509 -6.315 684 H ARG 618 H ARG 618 -7.070 -11.817 -4.736 685 HA ARG 618 HA ARG 618 -6.588 -13.826 -2.579 686 HB2 ARG 618 2HB ARG 618 -5.629 -11.095 -2.474 687 HB3 ARG 618 3HB ARG 618 -6.946 -11.259 -1.316 688 HG2 ARG 618 2HG ARG 618 -5.734 -13.382 -0.484 689 HG3 ARG 618 3HG ARG 618 -4.354 -12.855 -1.455 690 HD2 ARG 618 2HD ARG 618 -4.265 -10.747 -0.168 691 HD3 ARG 618 3HD ARG 618 -5.737 -11.218 0.711 692 HE ARG 618 HE ARG 618 -3.824 -13.282 1.084 693 HH11 ARG 618 1HH1 ARG 618 -4.316 -9.959 2.249 694 HH12 ARG 618 2HH1 ARG 618 -3.401 -10.354 3.706 695 HH21 ARG 618 1HH2 ARG 618 -2.822 -13.574 2.929 696 HH22 ARG 618 2HH2 ARG 618 -2.674 -12.245 4.100 697 H THR 619 H THR 619 -8.259 -13.657 -0.784 698 HA THR 619 HA THR 619 -10.825 -12.381 -1.661 699 HB THR 619 HB THR 619 -11.749 -13.510 0.441 700 HG1 THR 619 1HG THR 619 -10.424 -15.595 0.673 701 HG21 THR 619 1HG2 THR 619 -12.127 -15.652 -0.710 702 HG22 THR 619 2HG2 THR 619 -10.837 -15.264 -1.874 703 HG23 THR 619 3HG2 THR 619 -12.312 -14.282 -1.813 704 H ALA 620 H ALA 620 -11.203 -10.377 -0.884 705 HA ALA 620 HA ALA 620 -10.261 -9.551 1.767 706 HB1 ALA 620 1HB ALA 620 -9.177 -8.218 -0.752 707 HB2 ALA 620 2HB ALA 620 -8.890 -7.693 0.917 708 HB3 ALA 620 3HB ALA 620 -8.242 -9.243 0.361 709 H SER 621 H SER 621 -11.248 -7.678 2.596 710 HA SER 621 HA SER 621 -12.756 -5.851 0.913 711 HB2 SER 621 2HB SER 621 -14.429 -7.650 1.160 712 HB3 SER 621 3HB SER 621 -14.284 -7.554 2.925 713 HG SER 621 HG SER 621 -16.049 -6.322 2.016 714 H VAL 622 H VAL 622 -12.789 -3.823 1.868 715 HA VAL 622 HA VAL 622 -12.712 -3.523 4.787 716 HB VAL 622 HB VAL 622 -10.402 -3.855 4.438 717 HG11 VAL 622 1HG1 VAL 622 -8.992 -2.460 2.951 718 HG12 VAL 622 2HG1 VAL 622 -10.090 -3.530 2.081 719 HG13 VAL 622 3HG1 VAL 622 -10.472 -1.802 2.217 720 HG21 VAL 622 3HG2 VAL 622 -9.402 -1.841 5.246 721 HG22 VAL 622 1HG2 VAL 622 -10.750 -0.852 4.647 722 HG23 VAL 622 2HG2 VAL 622 -11.005 -2.027 5.963 723 H ARG 623 H ARG 623 -13.581 -1.630 5.546 724 HA ARG 623 HA ARG 623 -14.323 0.472 3.555 725 HB2 ARG 623 2HB ARG 623 -16.442 0.712 4.631 726 HB3 ARG 623 3HB ARG 623 -16.199 -0.994 4.308 727 HG2 ARG 623 2HG ARG 623 -15.155 -0.683 6.907 728 HG3 ARG 623 3HG ARG 623 -16.512 0.447 6.868 729 HD2 ARG 623 2HD ARG 623 -17.913 -1.459 5.978 730 HD3 ARG 623 3HD ARG 623 -16.532 -2.531 6.245 731 HE ARG 623 HE ARG 623 -17.295 -0.987 8.618 732 HH11 ARG 623 1HH1 ARG 623 -18.201 -3.928 6.870 733 HH12 ARG 623 2HH1 ARG 623 -18.576 -4.746 8.394 734 HH21 ARG 623 1HH2 ARG 623 -17.859 -2.214 10.471 735 HH22 ARG 623 2HH2 ARG 623 -18.476 -3.842 10.205 736 H ALA 624 H ALA 624 -14.605 2.577 4.186 737 HA ALA 624 HA ALA 624 -12.662 3.578 6.124 738 HB1 ALA 624 1HB ALA 624 -13.100 4.702 3.967 739 HB2 ALA 624 2HB ALA 624 -14.791 4.967 4.442 740 HB3 ALA 624 3HB ALA 624 -13.478 5.759 5.334 741 H ASP 625 H ASP 625 -13.036 3.784 8.275 742 HA ASP 625 HA ASP 625 -15.735 3.508 9.399 743 HB2 ASP 625 2HB ASP 625 -13.020 3.342 10.398 744 HB3 ASP 625 3HB ASP 625 -13.816 4.613 11.283 745 H THR 626 H THR 626 -13.634 6.055 8.326 746 HA THR 626 HA THR 626 -15.521 8.197 9.179 747 HB THR 626 HB THR 626 -14.070 7.882 11.073 748 HG1 THR 626 1HG THR 626 -13.415 9.881 11.298 749 HG21 THR 626 1HG2 THR 626 -12.134 6.811 10.062 750 HG22 THR 626 2HG2 THR 626 -11.638 8.257 10.960 751 HG23 THR 626 3HG2 THR 626 -11.722 8.313 9.184 752 H TYR 627 H TYR 627 -14.418 10.399 8.344 753 HA TYR 627 HA TYR 627 -13.811 10.233 5.493 754 HB2 TYR 627 2HB TYR 627 -14.810 12.231 6.075 755 HB3 TYR 627 3HB TYR 627 -13.943 12.370 7.573 756 HD1 TYR 627 HD2 TYR 627 -13.551 12.738 3.872 757 HD2 TYR 627 HD1 TYR 627 -12.003 13.732 7.763 758 HE1 TYR 627 HE2 TYR 627 -12.097 14.528 2.855 759 HE2 TYR 627 HE1 TYR 627 -10.577 15.500 6.749 760 HH TYR 627 HH TYR 627 -10.555 16.137 3.209 761 H CYS 628 H CYS 628 -12.109 9.137 4.923 762 HA CYS 628 HA CYS 628 -9.665 9.171 6.614 763 HB2 CYS 628 2HB CYS 628 -9.354 6.870 6.177 764 HB3 CYS 628 3HB CYS 628 -10.995 6.966 6.407 765 HG CYS 628 HG CYS 628 -11.685 7.262 3.863 766 H ARG 629 H ARG 629 -7.934 10.057 5.883 767 HA ARG 629 HA ARG 629 -7.470 10.635 2.982 768 HB2 ARG 629 2HB ARG 629 -6.431 11.700 5.599 769 HB3 ARG 629 3HB ARG 629 -5.149 11.274 4.477 770 HG2 ARG 629 2HG ARG 629 -5.679 13.542 4.097 771 HG3 ARG 629 3HG ARG 629 -6.216 12.587 2.709 772 HD2 ARG 629 2HD ARG 629 -8.006 14.049 3.101 773 HD3 ARG 629 3HD ARG 629 -8.556 12.552 3.792 774 HE ARG 629 HE ARG 629 -8.411 13.406 5.980 775 HH11 ARG 629 1HH1 ARG 629 -7.129 15.935 3.845 776 HH12 ARG 629 2HH1 ARG 629 -6.817 16.944 5.254 777 HH21 ARG 629 1HH2 ARG 629 -8.093 14.854 7.565 778 HH22 ARG 629 2HH2 ARG 629 -7.333 16.397 7.167 779 H LEU 630 H LEU 630 -6.729 9.191 1.881 780 HA LEU 630 HA LEU 630 -4.816 7.146 2.966 781 HB2 LEU 630 2HB LEU 630 -6.690 6.681 0.633 782 HB3 LEU 630 3HB LEU 630 -5.622 5.521 1.417 783 HG LEU 630 HG LEU 630 -8.189 6.707 2.516 784 HD11 LEU 630 1HD1 LEU 630 -8.892 4.331 2.615 785 HD12 LEU 630 2HD1 LEU 630 -7.337 3.848 1.846 786 HD13 LEU 630 3HD1 LEU 630 -8.509 4.835 0.964 787 HD21 LEU 630 3HD2 LEU 630 -7.915 5.275 4.504 788 HD22 LEU 630 1HD2 LEU 630 -6.644 6.478 4.425 789 HD23 LEU 630 2HD2 LEU 630 -6.282 4.809 3.938 790 H TYR 631 H TYR 631 -3.492 6.208 1.112 791 HA TYR 631 HA TYR 631 -2.830 8.191 -1.020 792 HB2 TYR 631 2HB TYR 631 -1.089 6.945 1.044 793 HB3 TYR 631 3HB TYR 631 -0.498 6.740 -0.584 794 HD1 TYR 631 HD1 TYR 631 -1.242 9.225 2.046 795 HD2 TYR 631 HD2 TYR 631 0.305 8.562 -1.881 796 HE1 TYR 631 HE1 TYR 631 -0.011 11.403 2.180 797 HE2 TYR 631 HE2 TYR 631 1.537 10.766 -1.778 798 HH TYR 631 HH TYR 631 1.509 12.756 1.216 799 H SER 632 H SER 632 -2.236 7.212 -3.096 800 HA SER 632 HA SER 632 -2.042 4.249 -3.021 801 HB2 SER 632 2HB SER 632 -3.150 4.099 -5.298 802 HB3 SER 632 3HB SER 632 -4.170 4.316 -3.878 803 HG SER 632 HG SER 632 -4.913 6.014 -4.679 804 H LEU 633 H LEU 633 -0.557 3.267 -4.116 805 HA LEU 633 HA LEU 633 1.326 4.851 -5.810 806 HB2 LEU 633 2HB LEU 633 1.899 4.410 -3.309 807 HB3 LEU 633 3HB LEU 633 2.153 2.746 -3.782 808 HG LEU 633 HG LEU 633 3.653 5.137 -4.988 809 HD11 LEU 633 1HD1 LEU 633 5.497 4.460 -3.518 810 HD12 LEU 633 2HD1 LEU 633 4.511 3.150 -2.837 811 HD13 LEU 633 3HD1 LEU 633 4.071 4.848 -2.555 812 HD21 LEU 633 3HD2 LEU 633 5.324 3.343 -5.614 813 HD22 LEU 633 1HD2 LEU 633 3.831 3.284 -6.518 814 HD23 LEU 633 2HD2 LEU 633 4.104 2.125 -5.191 815 H SER 634 H SER 634 1.784 3.951 -7.694 816 HA SER 634 HA SER 634 0.639 1.274 -8.315 817 HB2 SER 634 2HB SER 634 0.955 1.986 -10.681 818 HB3 SER 634 3HB SER 634 -0.131 3.012 -9.733 819 HG SER 634 HG SER 634 1.581 4.103 -11.074 820 H VAL 635 H VAL 635 1.722 -0.477 -9.200 821 HA VAL 635 HA VAL 635 4.602 -0.562 -8.726 822 HB VAL 635 HB VAL 635 4.711 -2.749 -9.282 823 HG11 VAL 635 1HG1 VAL 635 3.322 -2.214 -7.204 824 HG12 VAL 635 2HG1 VAL 635 1.902 -2.705 -8.147 825 HG13 VAL 635 3HG1 VAL 635 3.234 -3.862 -7.862 826 HG21 VAL 635 3HG2 VAL 635 1.998 -2.771 -10.607 827 HG22 VAL 635 1HG2 VAL 635 3.582 -2.900 -11.419 828 HG23 VAL 635 2HG2 VAL 635 3.073 -4.160 -10.291 829 H ASP 636 H ASP 636 2.601 0.310 -11.338 830 HA ASP 636 HA ASP 636 4.325 0.027 -13.575 831 HB2 ASP 636 2HB ASP 636 2.437 2.340 -12.960 832 HB3 ASP 636 3HB ASP 636 3.011 1.852 -14.552 833 H ASN 637 H ASN 637 4.306 2.471 -10.960 834 HA ASN 637 HA ASN 637 6.699 3.826 -12.085 835 HB2 ASN 637 2HB ASN 637 5.007 4.464 -9.659 836 HB3 ASN 637 3HB ASN 637 6.409 5.386 -10.227 837 HD21 ASN 637 HD21 ASN 637 6.231 6.194 -12.663 838 HD22 ASN 637 HD22 ASN 637 4.578 6.570 -13.165 839 H PHE 638 H PHE 638 5.882 1.595 -9.359 840 HA PHE 638 HA PHE 638 8.342 1.569 -7.989 841 HB2 PHE 638 2HB PHE 638 6.227 0.328 -7.483 842 HB3 PHE 638 3HB PHE 638 6.816 -0.935 -8.565 843 HD1 PHE 638 1HD PHE 638 9.257 -1.877 -8.043 844 HD2 PHE 638 2HD PHE 638 6.827 0.329 -5.238 845 HE1 PHE 638 1HE PHE 638 10.495 -2.897 -6.154 846 HE2 PHE 638 2HE PHE 638 8.085 -0.688 -3.360 847 HZ PHE 638 HZ PHE 638 9.903 -2.307 -3.815 848 H ASN 639 H ASN 639 7.505 -0.392 -10.893 849 HA ASN 639 HA ASN 639 10.137 -1.568 -11.203 850 HB2 ASN 639 2HB ASN 639 7.673 -1.345 -12.984 851 HB3 ASN 639 3HB ASN 639 9.120 -2.194 -13.481 852 HD21 ASN 639 HD21 ASN 639 6.377 -2.422 -11.251 853 HD22 ASN 639 HD22 ASN 639 6.639 -4.158 -11.100 854 H GLU 640 H GLU 640 9.113 1.577 -11.817 855 HA GLU 640 HA GLU 640 10.985 2.204 -14.030 856 HB2 GLU 640 2HB GLU 640 9.075 3.228 -14.579 857 HB3 GLU 640 3HB GLU 640 8.466 3.227 -12.945 858 HG2 GLU 640 2HG GLU 640 9.796 5.166 -12.375 859 HG3 GLU 640 3HG GLU 640 10.397 5.276 -14.049 860 H VAL 641 H VAL 641 10.337 3.165 -10.673 861 HA VAL 641 HA VAL 641 12.797 4.701 -10.415 862 HB VAL 641 HB VAL 641 10.913 5.211 -9.033 863 HG11 VAL 641 1HG1 VAL 641 11.279 2.535 -7.655 864 HG12 VAL 641 2HG1 VAL 641 10.222 3.860 -7.137 865 HG13 VAL 641 3HG1 VAL 641 9.915 3.036 -8.669 866 HG21 VAL 641 3HG2 VAL 641 13.139 5.745 -8.088 867 HG22 VAL 641 1HG2 VAL 641 11.949 5.367 -6.815 868 HG23 VAL 641 2HG2 VAL 641 13.155 4.166 -7.259 869 H LEU 642 H LEU 642 12.010 1.282 -9.796 870 HA LEU 642 HA LEU 642 14.389 0.575 -8.481 871 HB2 LEU 642 2HB LEU 642 12.293 -0.863 -10.004 872 HB3 LEU 642 3HB LEU 642 13.860 -1.615 -10.174 873 HG LEU 642 HG LEU 642 12.393 -1.120 -7.560 874 HD11 LEU 642 1HD1 LEU 642 12.393 -3.577 -7.461 875 HD12 LEU 642 2HD1 LEU 642 13.306 -3.667 -8.974 876 HD13 LEU 642 3HD1 LEU 642 11.644 -3.040 -8.972 877 HD21 LEU 642 3HD2 LEU 642 14.735 -0.843 -6.999 878 HD22 LEU 642 1HD2 LEU 642 15.208 -2.157 -8.091 879 HD23 LEU 642 2HD2 LEU 642 14.318 -2.497 -6.583 880 H GLU 643 H GLU 643 14.084 1.388 -11.902 881 HA GLU 643 HA GLU 643 16.402 0.211 -12.968 882 HB2 GLU 643 2HB GLU 643 15.162 2.940 -13.484 883 HB3 GLU 643 3HB GLU 643 16.233 2.084 -14.591 884 HG2 GLU 643 2HG GLU 643 13.588 0.836 -13.679 885 HG3 GLU 643 3HG GLU 643 13.654 1.998 -14.951 886 H GLU 644 H GLU 644 16.095 3.075 -10.835 887 HA GLU 644 HA GLU 644 18.750 4.121 -11.284 888 HB2 GLU 644 2HB GLU 644 16.640 4.496 -9.190 889 HB3 GLU 644 3HB GLU 644 18.122 5.435 -9.231 890 HG2 GLU 644 2HG GLU 644 16.305 5.284 -11.678 891 HG3 GLU 644 3HG GLU 644 15.873 6.250 -10.315 892 H TYR 645 H TYR 645 17.486 1.579 -9.245 893 HA TYR 645 HA TYR 645 19.893 1.647 -7.486 894 HB2 TYR 645 2HB TYR 645 17.063 0.997 -6.643 895 HB3 TYR 645 3HB TYR 645 18.482 1.101 -5.608 896 HD1 TYR 645 HD1 TYR 645 19.549 3.366 -5.158 897 HD2 TYR 645 HD2 TYR 645 15.872 2.927 -7.357 898 HE1 TYR 645 HE1 TYR 645 19.070 5.792 -4.855 899 HE2 TYR 645 HE2 TYR 645 15.383 5.348 -7.031 900 HH TYR 645 HH TYR 645 17.682 7.528 -5.416 901 HA PRO 646 HA PRO 646 19.492 -2.564 -9.489 902 HB2 PRO 646 2HB PRO 646 22.202 -2.994 -9.909 903 HB3 PRO 646 3HB PRO 646 21.062 -2.231 -11.055 904 HG2 PRO 646 2HG PRO 646 22.921 -0.858 -9.100 905 HG3 PRO 646 3HG PRO 646 22.645 -0.490 -10.835 906 HD2 PRO 646 2HD PRO 646 21.408 0.946 -8.915 907 HD3 PRO 646 3HD PRO 646 20.523 0.460 -10.385 908 H MET 647 H MET 647 21.357 -1.470 -6.657 909 HA MET 647 HA MET 647 21.863 -4.078 -5.514 910 HB2 MET 647 2HB MET 647 22.925 -2.013 -4.676 911 HB3 MET 647 3HB MET 647 21.338 -1.358 -4.259 912 HG2 MET 647 2HG MET 647 21.058 -3.389 -2.700 913 HG3 MET 647 3HG MET 647 22.777 -3.686 -2.968 914 HE1 MET 647 3HE MET 647 20.004 -1.803 -1.218 915 HE2 MET 647 1HE MET 647 20.753 -0.309 -0.607 916 HE3 MET 647 2HE MET 647 20.442 -0.506 -2.351 917 H MET 648 H MET 648 19.091 -1.797 -5.306 918 HA MET 648 HA MET 648 17.533 -3.569 -3.581 919 HB2 MET 648 2HB MET 648 16.893 -1.069 -5.163 920 HB3 MET 648 3HB MET 648 15.667 -1.931 -4.227 921 HG2 MET 648 2HG MET 648 18.213 -1.068 -2.861 922 HG3 MET 648 3HG MET 648 17.006 0.135 -3.272 923 HE1 MET 648 3HE MET 648 17.772 -3.072 -1.163 924 HE2 MET 648 1HE MET 648 16.332 -3.225 -0.139 925 HE3 MET 648 2HE MET 648 16.228 -3.644 -1.857 926 H ARG 649 H ARG 649 17.802 -3.018 -7.094 927 HA ARG 649 HA ARG 649 15.646 -4.635 -7.939 928 HB2 ARG 649 2HB ARG 649 17.281 -3.159 -9.287 929 HB3 ARG 649 3HB ARG 649 18.319 -4.581 -9.396 930 HG2 ARG 649 2HG ARG 649 15.405 -4.513 -10.279 931 HG3 ARG 649 3HG ARG 649 16.748 -4.085 -11.333 932 HD2 ARG 649 2HD ARG 649 17.668 -6.347 -11.196 933 HD3 ARG 649 3HD ARG 649 16.401 -6.836 -10.061 934 HE ARG 649 HE ARG 649 15.127 -5.740 -12.344 935 HH11 ARG 649 1HH1 ARG 649 16.984 -8.659 -11.560 936 HH12 ARG 649 2HH1 ARG 649 15.960 -9.605 -12.641 937 HH21 ARG 649 1HH2 ARG 649 13.970 -7.109 -13.721 938 HH22 ARG 649 2HH2 ARG 649 14.453 -8.790 -13.796 939 H ARG 650 H ARG 650 19.013 -5.761 -7.307 940 HA ARG 650 HA ARG 650 18.435 -8.525 -7.722 941 HB2 ARG 650 2HB ARG 650 20.426 -9.124 -6.558 942 HB3 ARG 650 3HB ARG 650 20.698 -7.904 -7.789 943 HG2 ARG 650 2HG ARG 650 21.029 -6.186 -6.143 944 HG3 ARG 650 3HG ARG 650 20.470 -7.246 -4.824 945 HD2 ARG 650 2HD ARG 650 22.359 -8.744 -5.180 946 HD3 ARG 650 3HD ARG 650 22.945 -7.744 -6.512 947 HE ARG 650 HE ARG 650 22.978 -7.115 -3.597 948 HH11 ARG 650 1HH1 ARG 650 24.022 -6.065 -6.819 949 HH12 ARG 650 2HH1 ARG 650 25.253 -5.050 -6.097 950 HH21 ARG 650 1HH2 ARG 650 24.215 -5.583 -2.865 951 HH22 ARG 650 2HH2 ARG 650 25.279 -4.647 -3.899 952 H ALA 651 H ALA 651 18.288 -6.658 -4.732 953 HA ALA 651 HA ALA 651 17.684 -8.668 -2.914 954 HB1 ALA 651 1HB ALA 651 16.486 -5.868 -2.948 955 HB2 ALA 651 2HB ALA 651 16.782 -6.884 -1.531 956 HB3 ALA 651 3HB ALA 651 18.158 -6.224 -2.440 957 H PHE 652 H PHE 652 15.435 -7.218 -5.267 958 HA PHE 652 HA PHE 652 13.130 -8.665 -4.116 959 HB2 PHE 652 2HB PHE 652 13.498 -6.718 -6.401 960 HB3 PHE 652 3HB PHE 652 11.952 -7.504 -6.073 961 HD1 PHE 652 2HD PHE 652 11.252 -7.317 -3.414 962 HD2 PHE 652 1HD PHE 652 13.686 -4.575 -5.651 963 HE1 PHE 652 2HE PHE 652 10.613 -5.486 -1.855 964 HE2 PHE 652 1HE PHE 652 13.051 -2.731 -4.096 965 HZ PHE 652 HZ PHE 652 11.474 -3.185 -2.210 966 H GLU 653 H GLU 653 15.083 -8.892 -7.175 967 HA GLU 653 HA GLU 653 13.350 -10.780 -8.431 968 HB2 GLU 653 2HB GLU 653 15.362 -11.501 -9.762 969 HB3 GLU 653 3HB GLU 653 14.976 -9.774 -9.820 970 HG2 GLU 653 2HG GLU 653 16.619 -9.244 -8.251 971 HG3 GLU 653 3HG GLU 653 17.024 -10.914 -7.884 972 H THR 654 H THR 654 15.766 -11.207 -5.967 973 HA THR 654 HA THR 654 16.097 -14.068 -6.269 974 HB THR 654 HB THR 654 17.882 -12.501 -5.609 975 HG1 THR 654 1HG THR 654 18.790 -13.865 -4.192 976 HG21 THR 654 1HG2 THR 654 16.385 -11.206 -3.943 977 HG22 THR 654 2HG2 THR 654 18.053 -11.549 -3.462 978 HG23 THR 654 3HG2 THR 654 16.711 -12.530 -2.811 979 H VAL 655 H VAL 655 14.386 -11.991 -3.950 980 HA VAL 655 HA VAL 655 13.298 -14.183 -2.400 981 HB VAL 655 HB VAL 655 13.530 -11.976 -1.464 982 HG11 VAL 655 1HG1 VAL 655 11.489 -10.947 -3.407 983 HG12 VAL 655 2HG1 VAL 655 12.220 -10.081 -2.035 984 HG13 VAL 655 3HG1 VAL 655 13.254 -10.635 -3.361 985 HG21 VAL 655 3HG2 VAL 655 10.554 -12.627 -1.672 986 HG22 VAL 655 1HG2 VAL 655 11.685 -13.503 -0.631 987 HG23 VAL 655 2HG2 VAL 655 11.380 -11.781 -0.354 988 H ALA 656 H ALA 656 12.127 -12.285 -5.179 989 HA ALA 656 HA ALA 656 9.561 -13.460 -5.332 990 HB1 ALA 656 1HB ALA 656 11.313 -12.225 -7.484 991 HB2 ALA 656 2HB ALA 656 9.570 -12.543 -7.641 992 HB3 ALA 656 3HB ALA 656 10.157 -11.383 -6.436 993 H ILE 657 H ILE 657 12.592 -14.949 -6.242 994 HA ILE 657 HA ILE 657 11.107 -17.210 -7.500 995 HB ILE 657 HB ILE 657 12.857 -16.117 -8.837 996 HG12 ILE 657 2HG1 ILE 657 13.517 -19.027 -8.244 997 HG13 ILE 657 3HG1 ILE 657 12.056 -18.512 -9.090 998 HG21 ILE 657 1HG2 ILE 657 15.233 -16.512 -8.368 999 HG22 ILE 657 2HG2 ILE 657 14.499 -15.626 -7.044 1000 HG23 ILE 657 3HG2 ILE 657 14.831 -17.359 -6.862 1001 HD11 ILE 657 3HD1 ILE 657 13.469 -17.395 -10.818 1002 HD12 ILE 657 1HD1 ILE 657 14.917 -18.057 -10.018 1003 HD13 ILE 657 2HD1 ILE 657 13.707 -19.148 -10.712 1004 H ASP 658 H ASP 658 12.799 -16.400 -4.555 1005 HA ASP 658 HA ASP 658 13.186 -19.249 -3.857 1006 HB2 ASP 658 2HB ASP 658 14.932 -17.538 -3.498 1007 HB3 ASP 658 3HB ASP 658 13.875 -16.714 -2.346 1008 H ARG 659 H ARG 659 11.011 -16.582 -2.901 1009 HA ARG 659 HA ARG 659 10.109 -17.567 -0.447 1010 HB2 ARG 659 2HB ARG 659 8.767 -15.677 -0.514 1011 HB3 ARG 659 3HB ARG 659 10.153 -15.233 -1.433 1012 HG2 ARG 659 2HG ARG 659 8.824 -15.839 -3.565 1013 HG3 ARG 659 3HG ARG 659 7.416 -16.070 -2.529 1014 HD2 ARG 659 2HD ARG 659 8.966 -13.510 -2.926 1015 HD3 ARG 659 3HD ARG 659 7.362 -13.879 -3.552 1016 HE ARG 659 HE ARG 659 8.058 -13.123 -0.777 1017 HH11 ARG 659 1HH1 ARG 659 5.430 -14.660 -2.663 1018 HH12 ARG 659 2HH1 ARG 659 4.308 -14.198 -1.383 1019 HH21 ARG 659 1HH2 ARG 659 6.578 -12.740 0.653 1020 HH22 ARG 659 2HH2 ARG 659 4.877 -13.171 0.342 1021 H LEU 660 H LEU 660 9.485 -19.209 -3.078 1022 HA LEU 660 HA LEU 660 6.804 -19.208 -3.651 1023 HB2 LEU 660 2HB LEU 660 8.623 -21.584 -4.142 1024 HB3 LEU 660 3HB LEU 660 7.218 -21.081 -5.079 1025 HG LEU 660 HG LEU 660 9.925 -19.738 -4.890 1026 HD11 LEU 660 1HD1 LEU 660 8.323 -20.692 -7.298 1027 HD12 LEU 660 2HD1 LEU 660 9.631 -21.604 -6.516 1028 HD13 LEU 660 3HD1 LEU 660 9.975 -20.056 -7.305 1029 HD21 LEU 660 3HD2 LEU 660 7.419 -18.610 -6.187 1030 HD22 LEU 660 1HD2 LEU 660 9.062 -17.961 -6.383 1031 HD23 LEU 660 2HD2 LEU 660 8.275 -17.921 -4.800 1032 H ASP 661 H ASP 661 7.413 -19.993 -0.812 1033 HA ASP 661 HA ASP 661 5.597 -22.340 -0.460 1034 HB2 ASP 661 2HB ASP 661 7.619 -21.257 1.431 1035 HB3 ASP 661 3HB ASP 661 6.628 -22.735 1.624 1036 H ARG 662 H ARG 662 5.068 -19.299 -0.560 1037 HA ARG 662 HA ARG 662 3.657 -18.877 2.020 1038 HB2 ARG 662 2HB ARG 662 4.028 -17.116 -0.395 1039 HB3 ARG 662 3HB ARG 662 3.147 -16.644 1.075 1040 HG2 ARG 662 2HG ARG 662 6.108 -17.136 0.739 1041 HG3 ARG 662 3HG ARG 662 5.292 -15.658 1.212 1042 HD2 ARG 662 2HD ARG 662 4.643 -16.768 3.374 1043 HD3 ARG 662 3HD ARG 662 5.541 -18.195 2.872 1044 HE ARG 662 HE ARG 662 7.603 -17.061 3.092 1045 HH11 ARG 662 1HH1 ARG 662 4.955 -14.896 4.096 1046 HH12 ARG 662 2HH1 ARG 662 6.109 -13.882 4.954 1047 HH21 ARG 662 1HH2 ARG 662 8.910 -15.551 4.192 1048 HH22 ARG 662 2HH2 ARG 662 8.097 -14.184 4.957 1049 H ILE 663 H ILE 663 2.812 -20.849 -0.311 1050 HA ILE 663 HA ILE 663 0.563 -20.319 -1.489 1051 HB ILE 663 HB ILE 663 0.689 -23.004 -0.116 1052 HG12 ILE 663 2HG1 ILE 663 2.331 -23.486 -2.175 1053 HG13 ILE 663 3HG1 ILE 663 2.871 -21.906 -1.851 1054 HG21 ILE 663 1HG2 ILE 663 0.545 -22.061 -3.012 1055 HG22 ILE 663 2HG2 ILE 663 0.081 -23.670 -2.441 1056 HG23 ILE 663 3HG2 ILE 663 -0.935 -22.277 -2.024 1057 HD11 ILE 663 3HD1 ILE 663 2.614 -24.266 0.136 1058 HD12 ILE 663 1HD1 ILE 663 4.117 -23.787 -0.638 1059 HD13 ILE 663 2HD1 ILE 663 3.335 -22.706 0.557 1060 H GLY 664 H GLY 664 -1.416 -19.908 -1.162 1061 HA2 GLY 664 2HA GLY 664 -2.720 -19.765 1.462 1062 HA3 GLY 664 3HA GLY 664 -3.390 -19.253 -0.086 1063 H LYS 665 H LYS 665 -2.203 -22.515 0.312 1064 HA LYS 665 HA LYS 665 -4.542 -23.669 -0.818 1065 HB2 LYS 665 2HB LYS 665 -3.294 -25.803 -0.582 1066 HB3 LYS 665 3HB LYS 665 -2.338 -24.516 -1.306 1067 HG2 LYS 665 2HG LYS 665 -1.124 -24.131 0.762 1068 HG3 LYS 665 3HG LYS 665 -2.191 -25.218 1.649 1069 HD2 LYS 665 2HD LYS 665 -0.030 -26.224 1.186 1070 HD3 LYS 665 3HD LYS 665 -1.352 -27.140 0.439 1071 HE2 LYS 665 2HE LYS 665 -0.778 -26.110 -1.760 1072 HE3 LYS 665 3HE LYS 665 0.524 -25.194 -0.973 1073 HZ1 LYS 665 3HZ LYS 665 1.486 -27.367 -0.318 1074 HZ2 LYS 665 1HZ LYS 665 1.464 -27.134 -1.938 1075 HZ3 LYS 665 2HZ LYS 665 0.367 -28.146 -1.223 1076 H LYS 666 H LYS 666 -4.591 -22.665 2.208 1077 HA LYS 666 HA LYS 666 -5.953 -24.820 3.620 1078 HB2 LYS 666 2HB LYS 666 -4.733 -22.960 4.707 1079 HB3 LYS 666 3HB LYS 666 -5.897 -21.807 4.049 1080 HG2 LYS 666 2HG LYS 666 -7.717 -22.985 5.364 1081 HG3 LYS 666 3HG LYS 666 -6.470 -24.035 6.063 1082 HD2 LYS 666 2HD LYS 666 -5.335 -22.076 7.028 1083 HD3 LYS 666 3HD LYS 666 -6.491 -20.985 6.237 1084 HE2 LYS 666 2HE LYS 666 -8.348 -22.008 7.529 1085 HE3 LYS 666 3HE LYS 666 -7.191 -23.076 8.343 1086 HZ1 LYS 666 3HZ LYS 666 -7.722 -21.040 9.628 1087 HZ2 LYS 666 1HZ LYS 666 -7.104 -20.107 8.457 1088 HZ3 LYS 666 2HZ LYS 666 -6.112 -21.126 9.278 1089 H ASN 667 H ASN 667 -7.430 -25.562 1.993 1090 HA ASN 667 HA ASN 667 -10.036 -24.287 2.233 1091 HB2 ASN 667 2HB ASN 667 -10.496 -24.330 -0.229 1092 HB3 ASN 667 3HB ASN 667 -9.298 -23.156 0.259 1093 HD21 ASN 667 HD21 ASN 667 -7.833 -22.958 -1.352 1094 HD22 ASN 667 HD22 ASN 667 -7.090 -24.317 -2.193 1095 H SER 668 H SER 668 -11.820 -25.608 1.593 1096 HA SER 668 HA SER 668 -11.483 -28.533 1.661 1097 HB2 SER 668 2HB SER 668 -13.931 -26.868 0.973 1098 HB3 SER 668 3HB SER 668 -13.875 -28.618 1.244 1099 HG SER 668 HG SER 668 -14.533 -27.520 3.132 1100 H ILE 669 H ILE 669 -12.520 -26.169 -0.854 1101 HA ILE 669 HA ILE 669 -11.589 -28.091 -2.948 1102 HB ILE 669 HB ILE 669 -13.636 -27.844 -4.167 1103 HG12 ILE 669 2HG1 ILE 669 -14.750 -26.191 -1.856 1104 HG13 ILE 669 3HG1 ILE 669 -14.260 -25.538 -3.422 1105 HG21 ILE 669 1HG2 ILE 669 -14.294 -28.635 -1.285 1106 HG22 ILE 669 2HG2 ILE 669 -15.062 -29.229 -2.772 1107 HG23 ILE 669 3HG2 ILE 669 -13.381 -29.640 -2.423 1108 HD11 ILE 669 3HD1 ILE 669 -16.628 -25.773 -3.463 1109 HD12 ILE 669 1HD1 ILE 669 -15.957 -27.013 -4.539 1110 HD13 ILE 669 2HD1 ILE 669 -16.556 -27.458 -2.920 1111 H LEU 670 H LEU 670 -11.326 -27.186 -5.098 1112 HA LEU 670 HA LEU 670 -10.091 -24.516 -4.908 1113 HB2 LEU 670 2HB LEU 670 -10.269 -26.396 -7.290 1114 HB3 LEU 670 3HB LEU 670 -9.315 -24.918 -7.179 1115 HG LEU 670 HG LEU 670 -8.871 -27.529 -5.685 1116 HD11 LEU 670 1HD1 LEU 670 -7.136 -25.891 -7.591 1117 HD12 LEU 670 2HD1 LEU 670 -8.008 -27.381 -7.993 1118 HD13 LEU 670 3HD1 LEU 670 -6.684 -27.439 -6.826 1119 HD21 LEU 670 3HD2 LEU 670 -6.877 -26.449 -4.663 1120 HD22 LEU 670 1HD2 LEU 670 -8.385 -25.767 -4.063 1121 HD23 LEU 670 2HD2 LEU 670 -7.442 -24.874 -5.275 1122 H LEU 671 H LEU 671 -10.849 -22.667 -5.613 1123 HA LEU 671 HA LEU 671 -13.614 -22.628 -6.704 1124 HB2 LEU 671 2HB LEU 671 -13.290 -21.706 -4.465 1125 HB3 LEU 671 3HB LEU 671 -12.049 -20.609 -5.068 1126 HG LEU 671 HG LEU 671 -13.743 -19.416 -6.433 1127 HD11 LEU 671 1HD1 LEU 671 -16.149 -19.834 -6.039 1128 HD12 LEU 671 2HD1 LEU 671 -15.750 -21.271 -5.074 1129 HD13 LEU 671 3HD1 LEU 671 -15.396 -21.226 -6.813 1130 HD21 LEU 671 3HD2 LEU 671 -14.924 -18.357 -4.558 1131 HD22 LEU 671 1HD2 LEU 671 -13.231 -18.673 -4.139 1132 HD23 LEU 671 2HD2 LEU 671 -14.516 -19.732 -3.505 1133 H HIS 672 H HIS 672 -14.143 -21.663 -8.451 1134 HA HIS 672 HA HIS 672 -13.225 -21.189 -10.751 1135 HB2 HIS 672 2HB HIS 672 -15.465 -20.601 -9.943 1136 HB3 HIS 672 3HB HIS 672 -14.836 -19.122 -9.220 1137 HD1 HIS 672 1HD HIS 672 -15.479 -17.146 -10.655 1138 HD2 HIS 672 2HD HIS 672 -14.641 -20.619 -12.865 1139 HE1 HIS 672 1HE HIS 672 -15.789 -16.510 -13.092 Start of MODEL 11 1 H ASN 534 H ASN 534 7.043 14.426 5.989 2 HA ASN 534 HA ASN 534 8.061 12.173 7.447 3 HB2 ASN 534 2HB ASN 534 5.265 13.234 6.829 4 HB3 ASN 534 3HB ASN 534 5.540 11.905 7.937 5 HD21 ASN 534 HD21 ASN 534 4.631 14.891 8.243 6 HD22 ASN 534 HD22 ASN 534 5.774 15.502 9.460 7 H CYS 535 H CYS 535 7.025 12.318 4.165 8 HA CYS 535 HA CYS 535 5.283 10.136 4.100 9 HB2 CYS 535 2HB CYS 535 5.532 12.044 2.505 10 HB3 CYS 535 3HB CYS 535 6.978 11.257 1.836 11 HG CYS 535 HG CYS 535 3.863 10.101 2.059 12 H ARG 536 H ARG 536 8.829 10.026 3.325 13 HA ARG 536 HA ARG 536 8.769 7.296 2.513 14 HB2 ARG 536 2HB ARG 536 11.016 7.375 2.289 15 HB3 ARG 536 3HB ARG 536 10.659 9.087 2.197 16 HG2 ARG 536 2HG ARG 536 11.685 7.612 4.661 17 HG3 ARG 536 3HG ARG 536 12.674 8.492 3.525 18 HD2 ARG 536 2HD ARG 536 11.887 10.601 4.195 19 HD3 ARG 536 3HD ARG 536 10.437 9.926 4.963 20 HE ARG 536 HE ARG 536 12.971 8.994 6.102 21 HH11 ARG 536 1HH1 ARG 536 10.719 11.706 6.420 22 HH12 ARG 536 2HH1 ARG 536 10.991 11.751 8.149 23 HH21 ARG 536 1HH2 ARG 536 12.980 8.989 8.262 24 HH22 ARG 536 2HH2 ARG 536 12.174 10.218 9.192 25 H LYS 537 H LYS 537 9.025 8.567 5.768 26 HA LYS 537 HA LYS 537 9.595 6.052 7.035 27 HB2 LYS 537 2HB LYS 537 10.127 8.283 7.958 28 HB3 LYS 537 3HB LYS 537 8.423 8.665 8.044 29 HG2 LYS 537 2HG LYS 537 9.146 8.136 10.248 30 HG3 LYS 537 3HG LYS 537 8.146 6.798 9.706 31 HD2 LYS 537 2HD LYS 537 10.439 5.685 8.988 32 HD3 LYS 537 3HD LYS 537 11.174 6.969 9.944 33 HE2 LYS 537 2HE LYS 537 11.018 5.128 11.424 34 HE3 LYS 537 3HE LYS 537 9.689 6.195 11.895 35 HZ1 LYS 537 3HZ LYS 537 9.459 3.792 10.154 36 HZ2 LYS 537 1HZ LYS 537 8.186 4.760 10.589 37 HZ3 LYS 537 2HZ LYS 537 8.959 3.864 11.700 38 H LEU 538 H LEU 538 6.720 7.232 5.587 39 HA LEU 538 HA LEU 538 4.928 5.456 7.159 40 HB2 LEU 538 2HB LEU 538 4.242 7.149 4.735 41 HB3 LEU 538 3HB LEU 538 3.135 6.333 5.828 42 HG LEU 538 HG LEU 538 4.901 8.701 6.541 43 HD11 LEU 538 1HD1 LEU 538 2.806 9.940 6.661 44 HD12 LEU 538 2HD1 LEU 538 1.886 8.490 6.216 45 HD13 LEU 538 3HD1 LEU 538 3.002 9.236 5.047 46 HD21 LEU 538 3HD2 LEU 538 2.808 7.253 8.220 47 HD22 LEU 538 1HD2 LEU 538 3.603 8.779 8.650 48 HD23 LEU 538 2HD2 LEU 538 4.560 7.301 8.538 49 H VAL 539 H VAL 539 6.188 5.752 3.782 50 HA VAL 539 HA VAL 539 5.177 3.163 2.970 51 HB VAL 539 HB VAL 539 6.234 5.287 1.641 52 HG11 VAL 539 1HG1 VAL 539 8.149 4.483 0.331 53 HG12 VAL 539 2HG1 VAL 539 8.565 4.722 2.046 54 HG13 VAL 539 3HG1 VAL 539 8.303 3.080 1.380 55 HG21 VAL 539 3HG2 VAL 539 5.970 3.848 -0.361 56 HG22 VAL 539 1HG2 VAL 539 5.832 2.437 0.719 57 HG23 VAL 539 2HG2 VAL 539 4.625 3.735 0.787 58 H ALA 540 H ALA 540 8.319 4.107 4.400 59 HA ALA 540 HA ALA 540 9.426 1.483 4.596 60 HB1 ALA 540 1HB ALA 540 9.859 3.877 6.402 61 HB2 ALA 540 2HB ALA 540 10.961 2.516 6.162 62 HB3 ALA 540 3HB ALA 540 10.676 3.648 4.823 63 H SER 541 H SER 541 6.553 2.368 6.004 64 HA SER 541 HA SER 541 7.028 1.115 8.620 65 HB2 SER 541 2HB SER 541 5.612 3.205 8.247 66 HB3 SER 541 3HB SER 541 4.404 2.082 7.587 67 HG SER 541 HG SER 541 4.402 2.656 9.937 68 H MET 542 H MET 542 6.005 0.300 5.427 69 HA MET 542 HA MET 542 4.634 -2.177 6.111 70 HB2 MET 542 2HB MET 542 5.607 -0.830 3.602 71 HB3 MET 542 3HB MET 542 5.295 -2.563 3.573 72 HG2 MET 542 2HG MET 542 2.980 -2.125 4.393 73 HG3 MET 542 3HG MET 542 3.325 -0.393 4.389 74 HE1 MET 542 3HE MET 542 2.523 -3.583 2.345 75 HE2 MET 542 1HE MET 542 2.743 -3.087 0.657 76 HE3 MET 542 2HE MET 542 4.159 -3.321 1.699 77 HA PRO 543 HA PRO 543 8.346 -4.457 6.891 78 HB2 PRO 543 2HB PRO 543 7.561 -7.040 6.464 79 HB3 PRO 543 3HB PRO 543 6.961 -6.041 7.816 80 HG2 PRO 543 2HG PRO 543 5.635 -6.559 5.152 81 HG3 PRO 543 3HG PRO 543 4.912 -6.678 6.787 82 HD2 PRO 543 2HD PRO 543 4.614 -4.442 5.242 83 HD3 PRO 543 3HD PRO 543 4.798 -4.319 7.009 84 H LEU 544 H LEU 544 6.778 -4.986 3.733 85 HA LEU 544 HA LEU 544 8.917 -6.039 2.247 86 HB2 LEU 544 2HB LEU 544 6.608 -5.926 1.575 87 HB3 LEU 544 3HB LEU 544 6.611 -4.177 1.503 88 HG LEU 544 HG LEU 544 8.488 -5.741 -0.300 89 HD11 LEU 544 1HD1 LEU 544 6.640 -5.781 -1.982 90 HD12 LEU 544 2HD1 LEU 544 5.521 -5.196 -0.721 91 HD13 LEU 544 3HD1 LEU 544 6.288 -6.791 -0.569 92 HD21 LEU 544 3HD2 LEU 544 6.895 -3.149 -0.680 93 HD22 LEU 544 1HD2 LEU 544 8.030 -3.850 -1.846 94 HD23 LEU 544 2HD2 LEU 544 8.625 -3.219 -0.312 95 H PHE 545 H PHE 545 8.630 -2.767 3.490 96 HA PHE 545 HA PHE 545 10.935 -1.828 1.845 97 HB2 PHE 545 2HB PHE 545 8.848 -0.308 3.421 98 HB3 PHE 545 3HB PHE 545 10.166 0.429 2.535 99 HD1 PHE 545 1HD PHE 545 7.034 -1.543 2.124 100 HD2 PHE 545 2HD PHE 545 9.933 1.015 0.239 101 HE1 PHE 545 1HE PHE 545 5.372 -0.957 0.379 102 HE2 PHE 545 2HE PHE 545 8.274 1.608 -1.497 103 HZ PHE 545 HZ PHE 545 5.961 0.703 -1.368 104 H ALA 546 H ALA 546 10.679 -3.311 4.774 105 HA ALA 546 HA ALA 546 11.414 -1.395 6.769 106 HB1 ALA 546 1HB ALA 546 11.866 -4.413 6.523 107 HB2 ALA 546 2HB ALA 546 11.954 -3.487 8.034 108 HB3 ALA 546 3HB ALA 546 10.408 -3.641 7.187 109 H ASN 547 H ASN 547 13.189 -3.375 4.565 110 HA ASN 547 HA ASN 547 15.869 -2.689 5.666 111 HB2 ASN 547 2HB ASN 547 14.435 -5.240 4.835 112 HB3 ASN 547 3HB ASN 547 16.155 -5.160 4.730 113 HD21 ASN 547 HD21 ASN 547 13.554 -5.679 6.874 114 HD22 ASN 547 HD22 ASN 547 14.537 -5.714 8.330 115 H ALA 548 H ALA 548 13.890 -2.153 3.113 116 HA ALA 548 HA ALA 548 15.507 -2.151 0.781 117 HB1 ALA 548 1HB ALA 548 13.911 -0.331 0.073 118 HB2 ALA 548 2HB ALA 548 13.054 -1.696 0.828 119 HB3 ALA 548 3HB ALA 548 13.351 -0.195 1.730 120 H ASP 549 H ASP 549 16.702 -0.409 -0.226 121 HA ASP 549 HA ASP 549 18.396 1.175 1.474 122 HB2 ASP 549 2HB ASP 549 19.076 0.396 -0.722 123 HB3 ASP 549 3HB ASP 549 17.829 1.333 -1.508 124 HA PRO 550 HA PRO 550 15.222 4.105 2.519 125 HB2 PRO 550 2HB PRO 550 16.666 6.110 3.696 126 HB3 PRO 550 3HB PRO 550 16.445 4.490 4.427 127 HG2 PRO 550 2HG PRO 550 18.764 5.422 2.701 128 HG3 PRO 550 3HG PRO 550 18.846 4.695 4.346 129 HD2 PRO 550 2HD PRO 550 19.175 3.173 2.161 130 HD3 PRO 550 3HD PRO 550 18.138 2.568 3.492 131 H ASN 551 H ASN 551 17.534 4.759 0.124 132 HA ASN 551 HA ASN 551 16.559 7.506 -0.535 133 HB2 ASN 551 2HB ASN 551 18.804 5.946 -1.862 134 HB3 ASN 551 3HB ASN 551 18.466 7.665 -1.984 135 HD21 ASN 551 HD21 ASN 551 19.869 5.135 -0.042 136 HD22 ASN 551 HD22 ASN 551 20.674 6.215 1.116 137 H PHE 552 H PHE 552 16.842 4.211 -1.809 138 HA PHE 552 HA PHE 552 15.339 4.488 -4.241 139 HB2 PHE 552 2HB PHE 552 16.593 2.512 -3.973 140 HB3 PHE 552 3HB PHE 552 16.065 2.282 -2.337 141 HD1 PHE 552 1HD PHE 552 14.755 2.103 -5.856 142 HD2 PHE 552 2HD PHE 552 14.404 0.818 -1.763 143 HE1 PHE 552 1HE PHE 552 13.044 0.421 -6.520 144 HE2 PHE 552 2HE PHE 552 12.714 -0.880 -2.434 145 HZ PHE 552 HZ PHE 552 12.057 -1.083 -4.819 146 H VAL 553 H VAL 553 14.231 3.614 -0.910 147 HA VAL 553 HA VAL 553 11.503 3.379 -1.674 148 HB VAL 553 HB VAL 553 10.843 3.384 0.560 149 HG11 VAL 553 1HG1 VAL 553 13.633 2.231 0.478 150 HG12 VAL 553 2HG1 VAL 553 12.223 1.627 1.382 151 HG13 VAL 553 3HG1 VAL 553 12.260 1.499 -0.397 152 HG21 VAL 553 3HG2 VAL 553 11.971 5.220 1.655 153 HG22 VAL 553 1HG2 VAL 553 12.483 3.701 2.434 154 HG23 VAL 553 2HG2 VAL 553 13.552 4.496 1.271 155 H THR 554 H THR 554 13.361 6.144 -0.770 156 HA THR 554 HA THR 554 11.198 8.098 -0.574 157 HB THR 554 HB THR 554 14.201 8.513 -0.937 158 HG1 THR 554 1HG THR 554 13.991 7.625 1.007 159 HG21 THR 554 1HG2 THR 554 11.937 10.384 -0.147 160 HG22 THR 554 2HG2 THR 554 12.988 10.507 -1.580 161 HG23 THR 554 3HG2 THR 554 13.676 10.757 0.035 162 H ALA 555 H ALA 555 13.583 7.312 -3.174 163 HA ALA 555 HA ALA 555 12.679 9.287 -4.969 164 HB1 ALA 555 1HB ALA 555 13.890 6.527 -5.478 165 HB2 ALA 555 2HB ALA 555 13.812 7.850 -6.665 166 HB3 ALA 555 3HB ALA 555 14.780 8.033 -5.187 167 H MET 556 H MET 556 11.153 6.321 -4.033 168 HA MET 556 HA MET 556 9.378 5.945 -6.267 169 HB2 MET 556 2HB MET 556 10.190 4.392 -4.376 170 HB3 MET 556 3HB MET 556 8.908 5.096 -3.387 171 HG2 MET 556 2HG MET 556 7.214 4.320 -4.951 172 HG3 MET 556 3HG MET 556 8.434 3.766 -6.080 173 HE1 MET 556 3HE MET 556 10.075 0.774 -3.917 174 HE2 MET 556 1HE MET 556 10.496 2.110 -5.017 175 HE3 MET 556 2HE MET 556 10.386 2.394 -3.268 176 H LEU 557 H LEU 557 9.293 8.269 -3.709 177 HA LEU 557 HA LEU 557 6.378 8.504 -3.573 178 HB2 LEU 557 2HB LEU 557 8.455 10.269 -2.264 179 HB3 LEU 557 3HB LEU 557 6.802 9.994 -1.744 180 HG LEU 557 HG LEU 557 9.048 7.931 -1.676 181 HD11 LEU 557 1HD1 LEU 557 9.315 9.835 -0.111 182 HD12 LEU 557 2HD1 LEU 557 9.094 8.252 0.637 183 HD13 LEU 557 3HD1 LEU 557 7.740 9.409 0.604 184 HD21 LEU 557 3HD2 LEU 557 6.255 7.769 -0.489 185 HD22 LEU 557 1HD2 LEU 557 7.555 6.575 -0.334 186 HD23 LEU 557 2HD2 LEU 557 6.829 6.862 -1.917 187 H THR 558 H THR 558 8.756 9.994 -5.528 188 HA THR 558 HA THR 558 8.075 12.657 -5.447 189 HB THR 558 HB THR 558 9.068 12.953 -7.666 190 HG1 THR 558 1HG THR 558 9.826 11.194 -8.757 191 HG21 THR 558 1HG2 THR 558 10.526 12.671 -5.708 192 HG22 THR 558 2HG2 THR 558 11.257 11.994 -7.165 193 HG23 THR 558 3HG2 THR 558 10.555 10.907 -5.960 194 H LYS 559 H LYS 559 6.098 10.281 -7.112 195 HA LYS 559 HA LYS 559 4.248 12.488 -7.895 196 HB2 LYS 559 2HB LYS 559 3.573 11.187 -9.884 197 HB3 LYS 559 3HB LYS 559 5.213 11.782 -9.911 198 HG2 LYS 559 2HG LYS 559 6.016 9.768 -10.318 199 HG3 LYS 559 3HG LYS 559 5.391 9.140 -8.810 200 HD2 LYS 559 2HD LYS 559 3.788 9.280 -11.395 201 HD3 LYS 559 3HD LYS 559 4.704 7.881 -10.830 202 HE2 LYS 559 2HE LYS 559 3.302 7.836 -8.747 203 HE3 LYS 559 3HE LYS 559 2.347 9.173 -9.412 204 HZ1 LYS 559 3HZ LYS 559 1.791 7.775 -11.308 205 HZ2 LYS 559 1HZ LYS 559 1.302 7.049 -9.903 206 HZ3 LYS 559 2HZ LYS 559 2.620 6.515 -10.697 207 H LEU 560 H LEU 560 4.335 10.765 -5.456 208 HA LEU 560 HA LEU 560 2.473 8.765 -5.430 209 HB2 LEU 560 2HB LEU 560 3.809 10.417 -3.458 210 HB3 LEU 560 3HB LEU 560 2.145 10.278 -2.965 211 HG LEU 560 HG LEU 560 3.992 7.927 -3.565 212 HD11 LEU 560 1HD1 LEU 560 3.913 7.582 -1.125 213 HD12 LEU 560 2HD1 LEU 560 2.909 9.040 -0.941 214 HD13 LEU 560 3HD1 LEU 560 4.579 9.175 -1.523 215 HD21 LEU 560 3HD2 LEU 560 2.175 6.603 -2.423 216 HD22 LEU 560 1HD2 LEU 560 1.710 7.262 -3.986 217 HD23 LEU 560 2HD2 LEU 560 1.130 8.043 -2.503 218 H LYS 561 H LYS 561 0.324 8.465 -5.297 219 HA LYS 561 HA LYS 561 -1.443 10.790 -5.781 220 HB2 LYS 561 2HB LYS 561 -1.220 8.304 -7.052 221 HB3 LYS 561 3HB LYS 561 -2.597 8.089 -5.990 222 HG2 LYS 561 2HG LYS 561 -3.604 8.857 -7.903 223 HG3 LYS 561 3HG LYS 561 -3.469 10.349 -6.985 224 HD2 LYS 561 2HD LYS 561 -1.661 9.379 -9.244 225 HD3 LYS 561 3HD LYS 561 -2.871 10.660 -9.334 226 HE2 LYS 561 2HE LYS 561 -1.543 12.055 -7.778 227 HE3 LYS 561 3HE LYS 561 -0.317 10.773 -7.663 228 HZ1 LYS 561 3HZ LYS 561 -1.093 12.131 -10.176 229 HZ2 LYS 561 1HZ LYS 561 0.054 10.995 -10.047 230 HZ3 LYS 561 2HZ LYS 561 0.297 12.452 -9.336 231 H PHE 562 H PHE 562 -3.422 11.097 -4.807 232 HA PHE 562 HA PHE 562 -3.863 9.745 -2.185 233 HB2 PHE 562 2HB PHE 562 -3.232 11.543 -1.090 234 HB3 PHE 562 3HB PHE 562 -2.877 12.401 -2.572 235 HD1 PHE 562 1HD PHE 562 -4.493 13.962 -3.574 236 HD2 PHE 562 2HD PHE 562 -5.345 11.858 0.079 237 HE1 PHE 562 1HE PHE 562 -6.404 15.470 -3.167 238 HE2 PHE 562 2HE PHE 562 -7.274 13.382 0.507 239 HZ PHE 562 HZ PHE 562 -7.831 15.170 -1.119 240 H GLU 563 H GLU 563 -5.896 9.342 -1.587 241 HA GLU 563 HA GLU 563 -8.179 10.173 -3.308 242 HB2 GLU 563 2HB GLU 563 -7.214 8.094 -4.240 243 HB3 GLU 563 3HB GLU 563 -7.354 7.312 -2.670 244 HG2 GLU 563 2HG GLU 563 -9.104 6.556 -4.166 245 HG3 GLU 563 3HG GLU 563 -9.805 7.416 -2.805 246 H VAL 564 H VAL 564 -10.234 9.957 -2.284 247 HA VAL 564 HA VAL 564 -10.160 9.734 0.698 248 HB VAL 564 HB VAL 564 -11.605 11.864 -0.917 249 HG11 VAL 564 1HG1 VAL 564 -12.004 12.963 1.151 250 HG12 VAL 564 2HG1 VAL 564 -12.748 11.390 1.203 251 HG13 VAL 564 3HG1 VAL 564 -11.204 11.634 2.064 252 HG21 VAL 564 3HG2 VAL 564 -9.056 11.976 0.720 253 HG22 VAL 564 1HG2 VAL 564 -9.218 12.270 -1.029 254 HG23 VAL 564 2HG2 VAL 564 -9.933 13.411 0.120 255 H PHE 565 H PHE 565 -11.923 9.079 1.751 256 HA PHE 565 HA PHE 565 -14.440 8.493 0.287 257 HB2 PHE 565 2HB PHE 565 -13.103 6.589 2.241 258 HB3 PHE 565 3HB PHE 565 -14.688 6.385 1.532 259 HD1 PHE 565 1HD PHE 565 -11.003 6.511 0.703 260 HD2 PHE 565 2HD PHE 565 -14.981 5.455 -0.623 261 HE1 PHE 565 1HE PHE 565 -10.048 5.314 -1.253 262 HE2 PHE 565 2HE PHE 565 -13.993 4.191 -2.530 263 HZ PHE 565 HZ PHE 565 -11.539 4.145 -2.856 264 H GLN 566 H GLN 566 -16.291 8.759 1.566 265 HA GLN 566 HA GLN 566 -15.891 10.211 4.155 266 HB2 GLN 566 2HB GLN 566 -18.259 10.145 2.229 267 HB3 GLN 566 3HB GLN 566 -18.239 10.907 3.803 268 HG2 GLN 566 2HG GLN 566 -17.980 12.667 2.454 269 HG3 GLN 566 3HG GLN 566 -16.405 12.371 3.191 270 HE21 GLN 566 HE21 GLN 566 -14.880 12.931 1.644 271 HE22 GLN 566 HE22 GLN 566 -14.928 12.187 0.041 272 HA PRO 567 HA PRO 567 -16.942 7.089 6.814 273 HB2 PRO 567 2HB PRO 567 -19.524 8.262 7.793 274 HB3 PRO 567 3HB PRO 567 -18.070 7.801 8.715 275 HG2 PRO 567 2HG PRO 567 -18.750 10.412 8.096 276 HG3 PRO 567 3HG PRO 567 -17.063 9.889 8.294 277 HD2 PRO 567 2HD PRO 567 -18.583 10.493 5.834 278 HD3 PRO 567 3HD PRO 567 -16.826 10.617 6.131 279 H GLY 568 H GLY 568 -17.672 5.005 6.416 280 HA2 GLY 568 2HA GLY 568 -19.481 3.462 6.629 281 HA3 GLY 568 3HA GLY 568 -20.530 4.558 5.735 282 H ASP 569 H ASP 569 -17.931 4.889 3.863 283 HA ASP 569 HA ASP 569 -19.148 3.176 1.977 284 HB2 ASP 569 2HB ASP 569 -18.210 5.593 1.759 285 HB3 ASP 569 3HB ASP 569 -16.661 4.826 1.451 286 H TYR 570 H TYR 570 -18.483 1.262 1.159 287 HA TYR 570 HA TYR 570 -16.153 -0.180 2.160 288 HB2 TYR 570 2HB TYR 570 -18.159 -0.742 -0.015 289 HB3 TYR 570 3HB TYR 570 -16.698 -1.699 0.142 290 HD1 TYR 570 HD1 TYR 570 -16.262 -3.154 2.051 291 HD2 TYR 570 HD2 TYR 570 -19.929 -0.894 1.754 292 HE1 TYR 570 HE1 TYR 570 -17.304 -4.609 3.783 293 HE2 TYR 570 HE2 TYR 570 -20.970 -2.360 3.459 294 HH TYR 570 HH TYR 570 -20.757 -4.284 4.678 295 H ILE 571 H ILE 571 -14.169 0.419 1.745 296 HA ILE 571 HA ILE 571 -13.601 2.365 -0.289 297 HB ILE 571 HB ILE 571 -11.318 2.315 0.562 298 HG12 ILE 571 2HG1 ILE 571 -12.251 0.417 2.760 299 HG13 ILE 571 3HG1 ILE 571 -11.430 -0.180 1.324 300 HG21 ILE 571 1HG2 ILE 571 -11.831 3.335 2.705 301 HG22 ILE 571 2HG2 ILE 571 -13.114 3.745 1.559 302 HG23 ILE 571 3HG2 ILE 571 -13.396 2.503 2.786 303 HD11 ILE 571 3HD1 ILE 571 -9.536 1.321 1.737 304 HD12 ILE 571 1HD1 ILE 571 -10.288 1.813 3.275 305 HD13 ILE 571 2HD1 ILE 571 -9.809 0.120 3.020 306 H ILE 572 H ILE 572 -12.870 -1.077 -0.078 307 HA ILE 572 HA ILE 572 -11.273 -0.957 -2.586 308 HB ILE 572 HB ILE 572 -11.013 -2.394 0.057 309 HG12 ILE 572 2HG1 ILE 572 -9.061 -0.844 -1.694 310 HG13 ILE 572 3HG1 ILE 572 -9.991 -0.136 -0.410 311 HG21 ILE 572 1HG2 ILE 572 -9.532 -3.219 -2.466 312 HG22 ILE 572 2HG2 ILE 572 -9.208 -3.785 -0.817 313 HG23 ILE 572 3HG2 ILE 572 -10.730 -4.203 -1.573 314 HD11 ILE 572 3HD1 ILE 572 -7.777 -2.179 -0.070 315 HD12 ILE 572 1HD1 ILE 572 -7.820 -0.485 0.462 316 HD13 ILE 572 2HD1 ILE 572 -8.873 -1.673 1.245 317 H ARG 573 H ARG 573 -11.520 -2.311 -4.187 318 HA ARG 573 HA ARG 573 -13.048 -4.838 -3.917 319 HB2 ARG 573 2HB ARG 573 -14.520 -3.090 -5.008 320 HB3 ARG 573 3HB ARG 573 -13.258 -2.810 -6.201 321 HG2 ARG 573 2HG ARG 573 -14.849 -4.156 -7.279 322 HG3 ARG 573 3HG ARG 573 -13.513 -5.229 -6.934 323 HD2 ARG 573 2HD ARG 573 -14.761 -6.036 -4.886 324 HD3 ARG 573 3HD ARG 573 -16.120 -5.011 -5.347 325 HE ARG 573 HE ARG 573 -15.371 -7.581 -6.460 326 HH11 ARG 573 1HH1 ARG 573 -17.244 -4.687 -7.238 327 HH12 ARG 573 2HH1 ARG 573 -18.098 -5.529 -8.512 328 HH21 ARG 573 1HH2 ARG 573 -16.166 -8.350 -8.317 329 HH22 ARG 573 2HH2 ARG 573 -17.532 -7.571 -9.092 330 H GLU 574 H GLU 574 -12.049 -6.542 -4.973 331 HA GLU 574 HA GLU 574 -9.534 -5.993 -6.454 332 HB2 GLU 574 2HB GLU 574 -9.399 -7.637 -4.646 333 HB3 GLU 574 3HB GLU 574 -10.660 -8.609 -5.412 334 HG2 GLU 574 2HG GLU 574 -8.446 -9.540 -5.859 335 HG3 GLU 574 3HG GLU 574 -9.210 -9.015 -7.350 336 H GLY 575 H GLY 575 -9.186 -6.690 -8.529 337 HA2 GLY 575 2HA GLY 575 -11.203 -7.982 -10.166 338 HA3 GLY 575 3HA GLY 575 -11.146 -6.242 -10.437 339 H THR 576 H THR 576 -7.921 -7.361 -9.730 340 HA THR 576 HA THR 576 -7.347 -8.324 -12.411 341 HB THR 576 HB THR 576 -7.603 -5.883 -12.761 342 HG1 THR 576 1HG THR 576 -6.450 -7.104 -14.140 343 HG21 THR 576 1HG2 THR 576 -5.848 -4.348 -12.112 344 HG22 THR 576 2HG2 THR 576 -4.979 -5.630 -11.241 345 HG23 THR 576 3HG2 THR 576 -6.556 -5.058 -10.653 346 H ILE 577 H ILE 577 -4.975 -8.544 -12.840 347 HA ILE 577 HA ILE 577 -3.545 -9.528 -10.408 348 HB ILE 577 HB ILE 577 -3.293 -10.149 -13.374 349 HG12 ILE 577 2HG1 ILE 577 -3.611 -12.465 -12.672 350 HG13 ILE 577 3HG1 ILE 577 -3.787 -11.985 -10.983 351 HG21 ILE 577 1HG2 ILE 577 -1.429 -11.054 -11.142 352 HG22 ILE 577 2HG2 ILE 577 -1.460 -11.723 -12.785 353 HG23 ILE 577 3HG2 ILE 577 -0.993 -10.051 -12.549 354 HD11 ILE 577 3HD1 ILE 577 -5.682 -11.263 -13.259 355 HD12 ILE 577 1HD1 ILE 577 -5.900 -12.593 -12.092 356 HD13 ILE 577 2HD1 ILE 577 -5.930 -10.933 -11.522 357 H GLY 578 H GLY 578 -1.598 -8.638 -9.778 358 HA2 GLY 578 2HA GLY 578 0.342 -7.320 -9.846 359 HA3 GLY 578 3HA GLY 578 0.071 -7.042 -11.570 360 H LYS 579 H LYS 579 -1.597 -6.254 -8.499 361 HA LYS 579 HA LYS 579 -2.725 -3.826 -9.663 362 HB2 LYS 579 2HB LYS 579 -4.234 -3.786 -8.006 363 HB3 LYS 579 3HB LYS 579 -4.084 -5.461 -8.505 364 HG2 LYS 579 2HG LYS 579 -2.842 -6.018 -6.467 365 HG3 LYS 579 3HG LYS 579 -2.758 -4.296 -5.990 366 HD2 LYS 579 2HD LYS 579 -5.202 -4.149 -5.995 367 HD3 LYS 579 3HD LYS 579 -5.314 -5.824 -6.523 368 HE2 LYS 579 2HE LYS 579 -4.047 -6.415 -4.324 369 HE3 LYS 579 3HE LYS 579 -4.406 -4.747 -3.818 370 HZ1 LYS 579 3HZ LYS 579 -6.169 -6.280 -3.093 371 HZ2 LYS 579 1HZ LYS 579 -6.374 -6.802 -4.634 372 HZ3 LYS 579 2HZ LYS 579 -6.778 -5.266 -4.225 373 H LYS 580 H LYS 580 -2.946 -1.844 -8.487 374 HA LYS 580 HA LYS 580 -0.426 -0.900 -7.246 375 HB2 LYS 580 2HB LYS 580 -1.371 1.307 -7.414 376 HB3 LYS 580 3HB LYS 580 -1.567 0.465 -8.946 377 HG2 LYS 580 2HG LYS 580 -3.636 1.365 -8.830 378 HG3 LYS 580 3HG LYS 580 -4.003 -0.091 -7.908 379 HD2 LYS 580 2HD LYS 580 -3.585 1.204 -5.784 380 HD3 LYS 580 3HD LYS 580 -3.268 2.640 -6.754 381 HE2 LYS 580 2HE LYS 580 -5.897 1.103 -6.554 382 HE3 LYS 580 3HE LYS 580 -5.506 2.659 -5.810 383 HZ1 LYS 580 3HZ LYS 580 -6.680 3.188 -7.766 384 HZ2 LYS 580 1HZ LYS 580 -5.871 2.110 -8.689 385 HZ3 LYS 580 2HZ LYS 580 -5.118 3.473 -8.156 386 H MET 581 H MET 581 -0.434 0.312 -5.249 387 HA MET 581 HA MET 581 -1.803 -1.279 -3.203 388 HB2 MET 581 2HB MET 581 0.636 -0.977 -3.197 389 HB3 MET 581 3HB MET 581 0.450 0.777 -3.082 390 HG2 MET 581 2HG MET 581 1.046 -0.322 -0.937 391 HG3 MET 581 3HG MET 581 -0.443 0.615 -0.856 392 HE1 MET 581 3HE MET 581 -1.205 -2.054 1.719 393 HE2 MET 581 1HE MET 581 0.502 -1.879 1.342 394 HE3 MET 581 2HE MET 581 -0.557 -0.437 1.379 395 H TYR 582 H TYR 582 -3.030 -0.472 -1.452 396 HA TYR 582 HA TYR 582 -3.484 2.454 -1.304 397 HB2 TYR 582 2HB TYR 582 -5.652 0.381 -0.794 398 HB3 TYR 582 3HB TYR 582 -5.690 2.011 -0.203 399 HD1 TYR 582 HD1 TYR 582 -5.610 3.981 -1.819 400 HD2 TYR 582 HD2 TYR 582 -6.572 -0.066 -2.967 401 HE1 TYR 582 HE1 TYR 582 -6.968 4.837 -3.739 402 HE2 TYR 582 HE2 TYR 582 -7.920 0.788 -4.868 403 HH TYR 582 HH TYR 582 -8.667 2.666 -6.015 404 H PHE 583 H PHE 583 -3.229 3.346 0.620 405 HA PHE 583 HA PHE 583 -3.313 1.826 3.083 406 HB2 PHE 583 2HB PHE 583 -0.916 2.407 3.736 407 HB3 PHE 583 3HB PHE 583 -1.272 1.120 2.669 408 HD1 PHE 583 1HD PHE 583 -1.143 4.280 0.824 409 HD2 PHE 583 2HD PHE 583 1.165 1.048 2.486 410 HE1 PHE 583 1HE PHE 583 0.648 4.701 -0.828 411 HE2 PHE 583 2HE PHE 583 3.001 1.544 0.912 412 HZ PHE 583 HZ PHE 583 2.768 3.373 -0.748 413 H ILE 584 H ILE 584 -2.895 3.222 5.066 414 HA ILE 584 HA ILE 584 -4.875 5.348 4.531 415 HB ILE 584 HB ILE 584 -4.066 4.179 7.232 416 HG12 ILE 584 2HG1 ILE 584 -6.148 3.191 5.240 417 HG13 ILE 584 3HG1 ILE 584 -4.717 2.329 5.792 418 HG21 ILE 584 1HG2 ILE 584 -6.729 5.470 6.314 419 HG22 ILE 584 2HG2 ILE 584 -6.256 5.041 7.956 420 HG23 ILE 584 3HG2 ILE 584 -5.449 6.373 7.144 421 HD11 ILE 584 3HD1 ILE 584 -7.244 2.884 7.302 422 HD12 ILE 584 1HD1 ILE 584 -6.385 1.347 7.002 423 HD13 ILE 584 2HD1 ILE 584 -5.730 2.531 8.159 424 H GLN 585 H GLN 585 -4.191 7.484 4.227 425 HA GLN 585 HA GLN 585 -1.632 8.292 5.400 426 HB2 GLN 585 2HB GLN 585 -2.672 8.917 3.093 427 HB3 GLN 585 3HB GLN 585 -3.613 10.108 3.978 428 HG2 GLN 585 2HG GLN 585 -0.571 9.888 4.083 429 HG3 GLN 585 3HG GLN 585 -1.432 10.898 2.925 430 HE21 GLN 585 HE21 GLN 585 -2.881 12.648 3.866 431 HE22 GLN 585 HE22 GLN 585 -2.373 13.354 5.417 432 H HIS 586 H HIS 586 -5.065 9.222 5.790 433 HA HIS 586 HA HIS 586 -4.643 9.728 8.682 434 HB2 HIS 586 2HB HIS 586 -4.190 11.856 7.355 435 HB3 HIS 586 3HB HIS 586 -5.876 11.814 6.856 436 HD1 HIS 586 1HD HIS 586 -7.679 11.940 9.117 437 HD2 HIS 586 2HD HIS 586 -3.685 13.243 9.454 438 HE1 HIS 586 1HE HIS 586 -7.579 13.432 11.160 439 H GLY 587 H GLY 587 -6.394 8.665 9.750 440 HA2 GLY 587 2HA GLY 587 -8.876 9.202 9.933 441 HA3 GLY 587 3HA GLY 587 -8.991 8.439 8.346 442 H VAL 588 H VAL 588 -10.440 7.008 9.554 443 HA VAL 588 HA VAL 588 -8.959 4.726 10.663 444 HB VAL 588 HB VAL 588 -11.529 5.806 11.909 445 HG11 VAL 588 1HG1 VAL 588 -11.328 3.343 12.201 446 HG12 VAL 588 2HG1 VAL 588 -9.699 3.572 12.884 447 HG13 VAL 588 3HG1 VAL 588 -11.127 4.197 13.717 448 HG21 VAL 588 3HG2 VAL 588 -10.132 6.304 13.903 449 HG22 VAL 588 1HG2 VAL 588 -8.678 5.907 12.961 450 HG23 VAL 588 2HG2 VAL 588 -9.698 7.295 12.519 451 H VAL 589 H VAL 589 -10.014 2.704 10.303 452 HA VAL 589 HA VAL 589 -12.431 2.657 8.562 453 HB VAL 589 HB VAL 589 -11.518 0.783 7.293 454 HG11 VAL 589 1HG1 VAL 589 -11.391 3.189 6.496 455 HG12 VAL 589 2HG1 VAL 589 -9.701 3.202 7.022 456 HG13 VAL 589 3HG1 VAL 589 -10.251 2.072 5.759 457 HG21 VAL 589 3HG2 VAL 589 -8.887 1.469 8.642 458 HG22 VAL 589 1HG2 VAL 589 -9.825 -0.032 8.842 459 HG23 VAL 589 2HG2 VAL 589 -9.094 0.356 7.286 460 H SER 590 H SER 590 -13.591 0.730 8.623 461 HA SER 590 HA SER 590 -13.250 -1.027 11.038 462 HB2 SER 590 2HB SER 590 -15.821 0.178 9.903 463 HB3 SER 590 3HB SER 590 -15.800 -1.398 10.712 464 HG SER 590 HG SER 590 -15.073 1.111 11.882 465 H VAL 591 H VAL 591 -13.096 -3.019 10.452 466 HA VAL 591 HA VAL 591 -12.669 -3.562 7.546 467 HB VAL 591 HB VAL 591 -10.768 -2.391 8.387 468 HG11 VAL 591 1HG1 VAL 591 -11.069 -4.130 10.821 469 HG12 VAL 591 2HG1 VAL 591 -9.649 -3.082 10.579 470 HG13 VAL 591 3HG1 VAL 591 -11.216 -2.321 10.713 471 HG21 VAL 591 3HG2 VAL 591 -10.123 -4.663 7.500 472 HG22 VAL 591 1HG2 VAL 591 -9.026 -3.877 8.687 473 HG23 VAL 591 2HG2 VAL 591 -10.099 -5.183 9.246 474 H LEU 592 H LEU 592 -12.432 -5.799 7.067 475 HA LEU 592 HA LEU 592 -12.412 -7.579 9.449 476 HB2 LEU 592 2HB LEU 592 -13.760 -8.246 6.775 477 HB3 LEU 592 3HB LEU 592 -13.412 -9.376 8.076 478 HG LEU 592 HG LEU 592 -14.859 -7.690 9.529 479 HD11 LEU 592 1HD1 LEU 592 -16.790 -6.813 8.267 480 HD12 LEU 592 2HD1 LEU 592 -16.027 -7.307 6.739 481 HD13 LEU 592 3HD1 LEU 592 -15.298 -6.035 7.736 482 HD21 LEU 592 3HD2 LEU 592 -16.004 -9.723 7.577 483 HD22 LEU 592 1HD2 LEU 592 -16.847 -9.095 9.009 484 HD23 LEU 592 2HD2 LEU 592 -15.369 -10.055 9.199 485 H THR 593 H THR 593 -10.573 -8.720 9.579 486 HA THR 593 HA THR 593 -8.893 -8.878 7.111 487 HB THR 593 HB THR 593 -7.361 -10.234 8.739 488 HG1 THR 593 1HG THR 593 -7.531 -9.391 10.810 489 HG21 THR 593 1HG2 THR 593 -7.878 -7.224 8.888 490 HG22 THR 593 2HG2 THR 593 -6.817 -8.050 7.738 491 HG23 THR 593 3HG2 THR 593 -6.383 -8.038 9.435 492 H LYS 594 H LYS 594 -8.723 -10.549 5.785 493 HA LYS 594 HA LYS 594 -11.030 -11.986 5.421 494 HB2 LYS 594 2HB LYS 594 -9.991 -13.154 3.600 495 HB3 LYS 594 3HB LYS 594 -9.610 -11.445 3.562 496 HG2 LYS 594 2HG LYS 594 -7.648 -13.404 4.797 497 HG3 LYS 594 3HG LYS 594 -7.804 -13.313 3.044 498 HD2 LYS 594 2HD LYS 594 -7.173 -10.991 2.992 499 HD3 LYS 594 3HD LYS 594 -7.283 -10.863 4.741 500 HE2 LYS 594 2HE LYS 594 -4.967 -10.927 4.030 501 HE3 LYS 594 3HE LYS 594 -5.368 -12.268 5.099 502 HZ1 LYS 594 3HZ LYS 594 -5.362 -12.576 2.150 503 HZ2 LYS 594 1HZ LYS 594 -5.325 -13.765 3.307 504 HZ3 LYS 594 2HZ LYS 594 -4.016 -12.807 3.085 505 H GLY 595 H GLY 595 -8.193 -13.342 7.032 506 HA2 GLY 595 2HA GLY 595 -9.262 -16.066 7.227 507 HA3 GLY 595 3HA GLY 595 -7.891 -15.345 8.106 508 H ASN 596 H ASN 596 -10.054 -13.183 8.812 509 HA ASN 596 HA ASN 596 -10.108 -14.363 11.537 510 HB2 ASN 596 2HB ASN 596 -9.016 -11.710 10.674 511 HB3 ASN 596 3HB ASN 596 -8.746 -12.454 12.187 512 HD21 ASN 596 HD21 ASN 596 -6.625 -11.399 10.883 513 HD22 ASN 596 HD22 ASN 596 -5.596 -12.735 10.438 514 H LYS 597 H LYS 597 -10.391 -11.433 12.425 515 HA LYS 597 HA LYS 597 -13.326 -11.496 12.418 516 HB2 LYS 597 2HB LYS 597 -11.520 -10.400 14.619 517 HB3 LYS 597 3HB LYS 597 -13.241 -10.665 14.686 518 HG2 LYS 597 2HG LYS 597 -12.486 -12.386 15.950 519 HG3 LYS 597 3HG LYS 597 -12.745 -13.189 14.413 520 HD2 LYS 597 2HD LYS 597 -9.979 -12.124 14.785 521 HD3 LYS 597 3HD LYS 597 -10.444 -13.270 16.025 522 HE2 LYS 597 2HE LYS 597 -11.152 -14.134 13.297 523 HE3 LYS 597 3HE LYS 597 -9.425 -13.827 13.485 524 HZ1 LYS 597 3HZ LYS 597 -11.038 -15.592 15.244 525 HZ2 LYS 597 1HZ LYS 597 -9.408 -15.389 15.337 526 HZ3 LYS 597 2HZ LYS 597 -10.075 -16.139 14.020 527 H GLU 598 H GLU 598 -14.402 -9.595 13.180 528 HA GLU 598 HA GLU 598 -13.914 -7.269 11.544 529 HB2 GLU 598 2HB GLU 598 -15.767 -7.889 13.864 530 HB3 GLU 598 3HB GLU 598 -15.709 -6.284 13.122 531 HG2 GLU 598 2HG GLU 598 -16.572 -6.998 11.093 532 HG3 GLU 598 3HG GLU 598 -15.997 -8.648 11.319 533 H MET 599 H MET 599 -12.428 -5.864 11.858 534 HA MET 599 HA MET 599 -11.654 -4.968 14.606 535 HB2 MET 599 2HB MET 599 -9.846 -5.137 12.229 536 HB3 MET 599 3HB MET 599 -9.419 -4.517 13.824 537 HG2 MET 599 2HG MET 599 -9.904 -6.744 14.811 538 HG3 MET 599 3HG MET 599 -10.234 -7.369 13.192 539 HE1 MET 599 3HE MET 599 -8.566 -6.926 11.227 540 HE2 MET 599 1HE MET 599 -7.681 -5.464 11.706 541 HE3 MET 599 2HE MET 599 -6.780 -6.960 11.404 542 H LYS 600 H LYS 600 -10.669 -2.803 14.663 543 HA LYS 600 HA LYS 600 -11.256 -1.180 12.316 544 HB2 LYS 600 2HB LYS 600 -10.691 -0.408 15.257 545 HB3 LYS 600 3HB LYS 600 -10.244 0.714 13.998 546 HG2 LYS 600 2HG LYS 600 -12.343 1.308 15.070 547 HG3 LYS 600 3HG LYS 600 -12.465 1.095 13.324 548 HD2 LYS 600 2HD LYS 600 -14.434 0.171 14.391 549 HD3 LYS 600 3HD LYS 600 -13.439 -1.049 13.581 550 HE2 LYS 600 2HE LYS 600 -14.178 -2.016 15.672 551 HE3 LYS 600 3HE LYS 600 -12.469 -1.626 15.884 552 HZ1 LYS 600 3HZ LYS 600 -14.781 -0.076 16.927 553 HZ2 LYS 600 1HZ LYS 600 -13.214 0.454 17.026 554 HZ3 LYS 600 2HZ LYS 600 -13.678 -0.892 17.806 555 H LEU 601 H LEU 601 -9.772 0.128 11.620 556 HA LEU 601 HA LEU 601 -6.888 -0.407 12.193 557 HB2 LEU 601 2HB LEU 601 -8.218 -1.123 9.708 558 HB3 LEU 601 3HB LEU 601 -7.113 0.216 9.406 559 HG LEU 601 HG LEU 601 -5.296 -1.148 10.465 560 HD11 LEU 601 1HD1 LEU 601 -7.437 -3.296 10.253 561 HD12 LEU 601 2HD1 LEU 601 -6.660 -2.736 11.750 562 HD13 LEU 601 3HD1 LEU 601 -5.714 -3.623 10.545 563 HD21 LEU 601 3HD2 LEU 601 -5.658 -0.978 7.989 564 HD22 LEU 601 1HD2 LEU 601 -6.717 -2.398 8.064 565 HD23 LEU 601 2HD2 LEU 601 -4.994 -2.549 8.464 566 H SER 602 H SER 602 -5.562 1.445 12.034 567 HA SER 602 HA SER 602 -6.935 4.044 11.410 568 HB2 SER 602 2HB SER 602 -5.941 5.045 13.352 569 HB3 SER 602 3HB SER 602 -6.929 3.673 13.809 570 HG SER 602 HG SER 602 -5.091 3.450 14.939 571 H ASP 603 H ASP 603 -5.395 5.898 11.330 572 HA ASP 603 HA ASP 603 -3.996 5.590 8.997 573 HB2 ASP 603 2HB ASP 603 -3.420 7.781 9.068 574 HB3 ASP 603 3HB ASP 603 -4.813 7.736 10.144 575 H GLY 604 H GLY 604 -1.898 5.538 8.219 576 HA2 GLY 604 2HA GLY 604 0.340 4.834 8.250 577 HA3 GLY 604 3HA GLY 604 0.265 4.652 10.002 578 H SER 605 H SER 605 -2.430 3.056 9.085 579 HA SER 605 HA SER 605 -1.215 0.376 8.800 580 HB2 SER 605 2HB SER 605 -4.084 1.338 8.730 581 HB3 SER 605 3HB SER 605 -3.571 -0.364 8.683 582 HG SER 605 HG SER 605 -3.411 1.504 10.756 583 H TYR 606 H TYR 606 -2.061 -1.076 7.036 584 HA TYR 606 HA TYR 606 -2.485 0.305 4.443 585 HB2 TYR 606 2HB TYR 606 -0.503 -0.714 3.520 586 HB3 TYR 606 3HB TYR 606 -0.062 0.245 4.900 587 HD1 TYR 606 HD1 TYR 606 0.593 -0.883 7.034 588 HD2 TYR 606 HD2 TYR 606 -0.131 -3.064 3.393 589 HE1 TYR 606 HE1 TYR 606 1.828 -2.864 7.960 590 HE2 TYR 606 HE2 TYR 606 1.122 -4.978 4.249 591 HH TYR 606 HH TYR 606 2.274 -5.864 6.044 592 H PHE 607 H PHE 607 -3.300 -0.986 2.716 593 HA PHE 607 HA PHE 607 -4.833 -3.298 3.759 594 HB2 PHE 607 2HB PHE 607 -5.169 -1.624 1.254 595 HB3 PHE 607 3HB PHE 607 -6.306 -2.818 1.860 596 HD1 PHE 607 2HD PHE 607 -6.956 -2.513 4.452 597 HD2 PHE 607 1HD PHE 607 -5.761 0.597 1.728 598 HE1 PHE 607 2HE PHE 607 -8.182 -0.862 5.801 599 HE2 PHE 607 1HE PHE 607 -7.029 2.250 3.055 600 HZ PHE 607 HZ PHE 607 -8.240 1.547 5.098 601 H GLY 608 H GLY 608 -5.642 -4.847 2.050 602 HA2 GLY 608 2HA GLY 608 -5.732 -5.751 -0.013 603 HA3 GLY 608 3HA GLY 608 -4.412 -4.692 -0.477 604 H GLU 609 H GLU 609 -3.172 -6.645 1.923 605 HA GLU 609 HA GLU 609 -1.697 -8.289 2.000 606 HB2 GLU 609 2HB GLU 609 -3.896 -9.498 1.561 607 HB3 GLU 609 3HB GLU 609 -3.298 -9.771 -0.066 608 HG2 GLU 609 2HG GLU 609 -2.976 -11.740 1.189 609 HG3 GLU 609 3HG GLU 609 -1.384 -11.099 0.905 610 H ILE 610 H ILE 610 -0.200 -9.931 0.640 611 HA ILE 610 HA ILE 610 1.585 -8.111 -0.645 612 HB ILE 610 HB ILE 610 1.840 -11.141 -0.486 613 HG12 ILE 610 2HG1 ILE 610 3.603 -10.494 1.302 614 HG13 ILE 610 3HG1 ILE 610 2.763 -8.955 1.432 615 HG21 ILE 610 1HG2 ILE 610 3.276 -10.104 -2.219 616 HG22 ILE 610 2HG2 ILE 610 3.872 -8.925 -1.045 617 HG23 ILE 610 3HG2 ILE 610 4.247 -10.660 -0.870 618 HD11 ILE 610 3HD1 ILE 610 1.489 -11.700 1.882 619 HD12 ILE 610 1HD1 ILE 610 2.143 -10.661 3.163 620 HD13 ILE 610 2HD1 ILE 610 0.750 -10.124 2.230 621 H CYS 611 H CYS 611 1.344 -7.383 -2.566 622 HA CYS 611 HA CYS 611 1.300 -9.303 -4.843 623 HB2 CYS 611 2HB CYS 611 -0.807 -7.978 -4.758 624 HB3 CYS 611 3HB CYS 611 0.152 -6.495 -4.873 625 HG CYS 611 HG CYS 611 0.552 -9.035 -6.977 626 H LEU 612 H LEU 612 2.061 -6.592 -6.301 627 HA LEU 612 HA LEU 612 3.812 -5.298 -6.856 628 HB2 LEU 612 2HB LEU 612 3.491 -4.607 -4.506 629 HB3 LEU 612 3HB LEU 612 4.691 -5.761 -3.979 630 HG LEU 612 HG LEU 612 5.497 -3.505 -3.925 631 HD11 LEU 612 1HD1 LEU 612 7.097 -5.406 -4.465 632 HD12 LEU 612 2HD1 LEU 612 7.614 -3.768 -4.890 633 HD13 LEU 612 3HD1 LEU 612 7.042 -4.841 -6.160 634 HD21 LEU 612 3HD2 LEU 612 4.181 -2.632 -5.904 635 HD22 LEU 612 1HD2 LEU 612 5.389 -3.412 -6.947 636 HD23 LEU 612 2HD2 LEU 612 5.892 -2.130 -5.824 637 H LEU 613 H LEU 613 5.271 -7.907 -4.920 638 HA LEU 613 HA LEU 613 7.219 -8.492 -7.109 639 HB2 LEU 613 2HB LEU 613 8.566 -9.585 -5.315 640 HB3 LEU 613 3HB LEU 613 8.395 -7.842 -5.219 641 HG LEU 613 HG LEU 613 6.943 -7.937 -3.335 642 HD11 LEU 613 1HD1 LEU 613 6.855 -10.958 -3.690 643 HD12 LEU 613 2HD1 LEU 613 5.492 -9.807 -3.772 644 HD13 LEU 613 3HD1 LEU 613 6.302 -10.089 -2.239 645 HD21 LEU 613 3HD2 LEU 613 9.155 -9.996 -2.960 646 HD22 LEU 613 1HD2 LEU 613 8.372 -9.035 -1.683 647 HD23 LEU 613 2HD2 LEU 613 9.363 -8.233 -2.908 648 H THR 614 H THR 614 4.325 -9.556 -6.144 649 HA THR 614 HA THR 614 4.773 -12.239 -7.320 650 HB THR 614 HB THR 614 4.639 -12.668 -4.954 651 HG1 THR 614 1HG THR 614 2.825 -14.045 -4.973 652 HG21 THR 614 1HG2 THR 614 3.173 -10.688 -4.339 653 HG22 THR 614 2HG2 THR 614 2.739 -12.218 -3.575 654 HG23 THR 614 3HG2 THR 614 1.791 -11.614 -4.951 655 H ARG 615 H ARG 615 3.252 -12.912 -8.638 656 HA ARG 615 HA ARG 615 1.127 -10.967 -9.398 657 HB2 ARG 615 2HB ARG 615 1.044 -11.871 -11.534 658 HB3 ARG 615 3HB ARG 615 2.745 -11.748 -11.112 659 HG2 ARG 615 2HG ARG 615 2.709 -14.257 -10.614 660 HG3 ARG 615 3HG ARG 615 1.044 -14.278 -11.196 661 HD2 ARG 615 2HD ARG 615 2.414 -14.990 -12.998 662 HD3 ARG 615 3HD ARG 615 1.802 -13.391 -13.396 663 HE ARG 615 HE ARG 615 4.593 -14.045 -12.480 664 HH11 ARG 615 1HH1 ARG 615 2.584 -11.910 -14.452 665 HH12 ARG 615 2HH1 ARG 615 3.917 -10.816 -14.719 666 HH21 ARG 615 1HH2 ARG 615 6.222 -12.871 -13.158 667 HH22 ARG 615 2HH2 ARG 615 5.987 -11.447 -14.161 668 H GLY 616 H GLY 616 -0.865 -11.162 -8.824 669 HA2 GLY 616 2HA GLY 616 -2.571 -13.247 -9.288 670 HA3 GLY 616 3HA GLY 616 -2.053 -13.520 -7.626 671 H ARG 617 H ARG 617 -4.692 -12.989 -8.332 672 HA ARG 617 HA ARG 617 -5.625 -10.350 -7.540 673 HB2 ARG 617 2HB ARG 617 -6.841 -13.144 -7.257 674 HB3 ARG 617 3HB ARG 617 -7.737 -11.656 -7.004 675 HG2 ARG 617 2HG ARG 617 -6.386 -12.209 -9.664 676 HG3 ARG 617 3HG ARG 617 -7.911 -12.978 -9.270 677 HD2 ARG 617 2HD ARG 617 -7.569 -9.966 -9.111 678 HD3 ARG 617 3HD ARG 617 -8.002 -10.800 -10.607 679 HE ARG 617 HE ARG 617 -9.637 -11.077 -8.097 680 HH11 ARG 617 1HH1 ARG 617 -9.715 -10.567 -11.659 681 HH12 ARG 617 2HH1 ARG 617 -11.473 -10.617 -11.560 682 HH21 ARG 617 1HH2 ARG 617 -11.736 -11.082 -8.233 683 HH22 ARG 617 2HH2 ARG 617 -12.539 -10.869 -9.804 684 H ARG 618 H ARG 618 -5.959 -9.500 -5.481 685 HA ARG 618 HA ARG 618 -5.584 -11.295 -3.101 686 HB2 ARG 618 2HB ARG 618 -4.423 -8.512 -3.477 687 HB3 ARG 618 3HB ARG 618 -4.416 -9.444 -1.979 688 HG2 ARG 618 2HG ARG 618 -3.014 -10.291 -4.550 689 HG3 ARG 618 3HG ARG 618 -2.243 -9.489 -3.182 690 HD2 ARG 618 2HD ARG 618 -2.705 -11.345 -1.708 691 HD3 ARG 618 3HD ARG 618 -3.683 -12.164 -2.922 692 HE ARG 618 HE ARG 618 -0.726 -11.798 -2.971 693 HH11 ARG 618 1HH1 ARG 618 -3.495 -13.265 -4.604 694 HH12 ARG 618 2HH1 ARG 618 -2.532 -14.574 -5.233 695 HH21 ARG 618 1HH2 ARG 618 0.412 -13.556 -3.802 696 HH22 ARG 618 2HH2 ARG 618 -0.389 -14.642 -4.899 697 H THR 619 H THR 619 -7.569 -11.522 -2.457 698 HA THR 619 HA THR 619 -9.470 -9.274 -2.510 699 HB THR 619 HB THR 619 -9.849 -12.215 -1.883 700 HG1 THR 619 1HG THR 619 -9.301 -12.013 -3.944 701 HG21 THR 619 1HG2 THR 619 -11.703 -10.982 -0.910 702 HG22 THR 619 2HG2 THR 619 -12.245 -11.731 -2.414 703 HG23 THR 619 3HG2 THR 619 -11.872 -9.989 -2.375 704 H ALA 620 H ALA 620 -10.363 -8.235 -0.846 705 HA ALA 620 HA ALA 620 -10.339 -9.175 1.911 706 HB1 ALA 620 1HB ALA 620 -8.756 -6.689 1.097 707 HB2 ALA 620 2HB ALA 620 -9.100 -7.195 2.762 708 HB3 ALA 620 3HB ALA 620 -8.073 -8.204 1.732 709 H SER 621 H SER 621 -11.706 -7.995 3.276 710 HA SER 621 HA SER 621 -13.753 -6.241 1.975 711 HB2 SER 621 2HB SER 621 -14.358 -8.574 2.658 712 HB3 SER 621 3HB SER 621 -14.009 -8.125 4.330 713 HG SER 621 HG SER 621 -16.114 -7.841 4.103 714 H VAL 622 H VAL 622 -13.321 -4.100 2.571 715 HA VAL 622 HA VAL 622 -13.610 -3.484 5.445 716 HB VAL 622 HB VAL 622 -11.299 -3.744 5.464 717 HG11 VAL 622 1HG1 VAL 622 -11.091 -2.101 2.931 718 HG12 VAL 622 2HG1 VAL 622 -9.719 -2.617 3.950 719 HG13 VAL 622 3HG1 VAL 622 -10.712 -3.827 3.145 720 HG21 VAL 622 3HG2 VAL 622 -10.380 -1.632 6.026 721 HG22 VAL 622 1HG2 VAL 622 -11.578 -0.756 5.050 722 HG23 VAL 622 2HG2 VAL 622 -12.070 -1.627 6.526 723 H ARG 623 H ARG 623 -14.256 -1.425 6.009 724 HA ARG 623 HA ARG 623 -14.944 0.454 3.816 725 HB2 ARG 623 2HB ARG 623 -17.185 0.721 4.531 726 HB3 ARG 623 3HB ARG 623 -16.908 -1.012 4.405 727 HG2 ARG 623 2HG ARG 623 -16.415 -0.911 6.953 728 HG3 ARG 623 3HG ARG 623 -17.141 0.693 6.915 729 HD2 ARG 623 2HD ARG 623 -18.467 -1.917 6.056 730 HD3 ARG 623 3HD ARG 623 -18.758 -1.054 7.573 731 HE ARG 623 HE ARG 623 -19.251 0.696 5.337 732 HH11 ARG 623 1HH1 ARG 623 -20.821 -2.048 6.926 733 HH12 ARG 623 2HH1 ARG 623 -22.400 -1.446 6.485 734 HH21 ARG 623 1HH2 ARG 623 -21.191 1.283 4.751 735 HH22 ARG 623 2HH2 ARG 623 -22.606 0.320 5.155 736 H ALA 624 H ALA 624 -15.471 2.571 4.462 737 HA ALA 624 HA ALA 624 -13.478 3.668 6.207 738 HB1 ALA 624 1HB ALA 624 -15.890 4.998 4.912 739 HB2 ALA 624 2HB ALA 624 -14.442 5.805 5.547 740 HB3 ALA 624 3HB ALA 624 -14.311 4.748 4.141 741 H ASP 625 H ASP 625 -13.525 4.168 8.364 742 HA ASP 625 HA ASP 625 -15.958 3.715 9.972 743 HB2 ASP 625 2HB ASP 625 -13.342 3.511 10.649 744 HB3 ASP 625 3HB ASP 625 -13.526 5.203 10.975 745 H THR 626 H THR 626 -14.098 6.273 8.528 746 HA THR 626 HA THR 626 -15.928 8.449 9.382 747 HB THR 626 HB THR 626 -14.389 8.182 11.208 748 HG1 THR 626 1HG THR 626 -13.487 10.193 11.213 749 HG21 THR 626 1HG2 THR 626 -11.949 8.482 10.940 750 HG22 THR 626 2HG2 THR 626 -12.139 8.436 9.172 751 HG23 THR 626 3HG2 THR 626 -12.541 7.008 10.167 752 H TYR 627 H TYR 627 -14.546 10.577 8.416 753 HA TYR 627 HA TYR 627 -14.148 10.266 5.537 754 HB2 TYR 627 2HB TYR 627 -14.713 12.412 6.092 755 HB3 TYR 627 3HB TYR 627 -13.840 12.386 7.605 756 HD1 TYR 627 HD1 TYR 627 -13.065 12.277 3.899 757 HD2 TYR 627 HD2 TYR 627 -12.030 13.780 7.816 758 HE1 TYR 627 HE1 TYR 627 -11.219 13.711 2.917 759 HE2 TYR 627 HE2 TYR 627 -10.255 15.196 6.821 760 HH TYR 627 HH TYR 627 -9.351 16.020 4.821 761 H CYS 628 H CYS 628 -12.685 8.798 4.948 762 HA CYS 628 HA CYS 628 -10.060 8.710 6.359 763 HB2 CYS 628 2HB CYS 628 -9.914 6.437 6.095 764 HB3 CYS 628 3HB CYS 628 -11.560 6.561 6.265 765 HG CYS 628 HG CYS 628 -11.400 7.143 3.332 766 H ARG 629 H ARG 629 -8.396 9.492 5.410 767 HA ARG 629 HA ARG 629 -8.398 10.014 2.462 768 HB2 ARG 629 2HB ARG 629 -8.316 12.019 3.773 769 HB3 ARG 629 3HB ARG 629 -6.989 11.412 4.768 770 HG2 ARG 629 2HG ARG 629 -5.422 11.465 2.999 771 HG3 ARG 629 3HG ARG 629 -6.716 11.664 1.809 772 HD2 ARG 629 2HD ARG 629 -5.699 13.729 2.050 773 HD3 ARG 629 3HD ARG 629 -7.275 13.892 2.838 774 HE ARG 629 HE ARG 629 -4.611 14.200 4.023 775 HH11 ARG 629 1HH1 ARG 629 -8.032 14.042 4.848 776 HH12 ARG 629 2HH1 ARG 629 -7.646 14.425 6.519 777 HH21 ARG 629 1HH2 ARG 629 -4.332 14.569 6.238 778 HH22 ARG 629 2HH2 ARG 629 -5.797 14.762 7.196 779 H LEU 630 H LEU 630 -7.265 8.845 1.336 780 HA LEU 630 HA LEU 630 -5.326 6.910 2.554 781 HB2 LEU 630 2HB LEU 630 -7.216 6.351 0.254 782 HB3 LEU 630 3HB LEU 630 -6.153 5.215 1.082 783 HG LEU 630 HG LEU 630 -8.693 6.510 2.160 784 HD11 LEU 630 1HD1 LEU 630 -9.407 4.134 2.389 785 HD12 LEU 630 2HD1 LEU 630 -7.884 3.627 1.570 786 HD13 LEU 630 3HD1 LEU 630 -9.081 4.600 0.715 787 HD21 LEU 630 3HD2 LEU 630 -8.423 5.208 4.227 788 HD22 LEU 630 1HD2 LEU 630 -7.103 6.348 4.057 789 HD23 LEU 630 2HD2 LEU 630 -6.832 4.635 3.662 790 H TYR 631 H TYR 631 -3.699 6.119 1.113 791 HA TYR 631 HA TYR 631 -3.091 7.960 -1.134 792 HB2 TYR 631 2HB TYR 631 -0.954 8.392 -0.498 793 HB3 TYR 631 3HB TYR 631 -1.915 8.683 0.894 794 HD1 TYR 631 HD2 TYR 631 -1.975 6.667 2.684 795 HD2 TYR 631 HD1 TYR 631 1.130 7.468 -0.180 796 HE1 TYR 631 HE2 TYR 631 -0.337 5.494 4.146 797 HE2 TYR 631 HE1 TYR 631 2.783 6.320 1.294 798 HH TYR 631 HH TYR 631 1.836 4.738 4.333 799 H SER 632 H SER 632 -1.877 7.059 -2.877 800 HA SER 632 HA SER 632 -1.803 4.099 -2.862 801 HB2 SER 632 2HB SER 632 -3.214 3.809 -4.728 802 HB3 SER 632 3HB SER 632 -4.078 4.899 -3.641 803 HG SER 632 HG SER 632 -4.198 5.672 -5.772 804 H LEU 633 H LEU 633 -0.455 3.068 -4.213 805 HA LEU 633 HA LEU 633 1.359 4.701 -5.901 806 HB2 LEU 633 2HB LEU 633 2.036 4.104 -3.318 807 HB3 LEU 633 3HB LEU 633 2.709 2.709 -4.146 808 HG LEU 633 HG LEU 633 3.293 5.642 -4.786 809 HD11 LEU 633 1HD1 LEU 633 4.172 4.895 -2.589 810 HD12 LEU 633 2HD1 LEU 633 5.458 5.262 -3.742 811 HD13 LEU 633 3HD1 LEU 633 5.037 3.569 -3.401 812 HD21 LEU 633 3HD2 LEU 633 5.228 4.745 -6.088 813 HD22 LEU 633 1HD2 LEU 633 3.672 4.358 -6.804 814 HD23 LEU 633 2HD2 LEU 633 4.563 3.109 -5.899 815 H SER 634 H SER 634 1.808 3.833 -7.774 816 HA SER 634 HA SER 634 0.825 1.123 -8.368 817 HB2 SER 634 2HB SER 634 0.266 2.898 -9.895 818 HB3 SER 634 3HB SER 634 1.989 3.222 -10.205 819 HG SER 634 HG SER 634 0.517 1.585 -11.517 820 H VAL 635 H VAL 635 1.893 -0.635 -9.056 821 HA VAL 635 HA VAL 635 4.692 -0.946 -8.444 822 HB VAL 635 HB VAL 635 3.636 -2.807 -7.984 823 HG11 VAL 635 1HG1 VAL 635 1.578 -2.494 -8.926 824 HG12 VAL 635 2HG1 VAL 635 2.213 -2.882 -10.576 825 HG13 VAL 635 3HG1 VAL 635 2.208 -4.105 -9.245 826 HG21 VAL 635 3HG2 VAL 635 4.656 -3.459 -10.767 827 HG22 VAL 635 1HG2 VAL 635 5.699 -3.286 -9.335 828 HG23 VAL 635 2HG2 VAL 635 4.493 -4.578 -9.388 829 H ASP 636 H ASP 636 2.968 0.032 -11.377 830 HA ASP 636 HA ASP 636 5.185 -0.590 -13.141 831 HB2 ASP 636 2HB ASP 636 2.819 1.285 -13.228 832 HB3 ASP 636 3HB ASP 636 4.088 1.475 -14.433 833 H ASN 637 H ASN 637 4.527 2.064 -10.894 834 HA ASN 637 HA ASN 637 6.914 3.612 -11.727 835 HB2 ASN 637 2HB ASN 637 4.990 3.933 -9.390 836 HB3 ASN 637 3HB ASN 637 6.335 5.019 -9.791 837 HD21 ASN 637 HD21 ASN 637 6.346 5.795 -12.188 838 HD22 ASN 637 HD22 ASN 637 4.757 6.131 -12.875 839 H PHE 638 H PHE 638 6.059 1.215 -9.238 840 HA PHE 638 HA PHE 638 8.463 1.211 -7.711 841 HB2 PHE 638 2HB PHE 638 6.518 -0.099 -7.095 842 HB3 PHE 638 3HB PHE 638 6.765 -1.151 -8.493 843 HD1 PHE 638 1HD PHE 638 8.084 -0.239 -5.196 844 HD2 PHE 638 2HD PHE 638 8.484 -2.818 -8.620 845 HE1 PHE 638 1HE PHE 638 9.814 -1.564 -3.994 846 HE2 PHE 638 2HE PHE 638 10.187 -4.154 -7.415 847 HZ PHE 638 HZ PHE 638 10.940 -3.436 -5.156 848 H ASN 639 H ASN 639 7.692 -0.709 -10.654 849 HA ASN 639 HA ASN 639 10.353 -1.761 -10.962 850 HB2 ASN 639 2HB ASN 639 7.912 -1.615 -12.780 851 HB3 ASN 639 3HB ASN 639 9.397 -2.465 -13.213 852 HD21 ASN 639 HD21 ASN 639 6.435 -3.364 -12.303 853 HD22 ASN 639 HD22 ASN 639 6.902 -4.674 -11.225 854 H GLU 640 H GLU 640 9.215 1.340 -11.636 855 HA GLU 640 HA GLU 640 11.176 2.004 -13.740 856 HB2 GLU 640 2HB GLU 640 9.370 3.201 -14.234 857 HB3 GLU 640 3HB GLU 640 8.720 3.114 -12.610 858 HG2 GLU 640 2HG GLU 640 10.061 4.887 -11.834 859 HG3 GLU 640 3HG GLU 640 10.902 5.049 -13.401 860 H VAL 641 H VAL 641 10.555 2.816 -10.323 861 HA VAL 641 HA VAL 641 13.051 4.287 -10.005 862 HB VAL 641 HB VAL 641 11.160 4.852 -8.644 863 HG11 VAL 641 1HG1 VAL 641 10.414 3.455 -6.776 864 HG12 VAL 641 2HG1 VAL 641 10.061 2.699 -8.319 865 HG13 VAL 641 3HG1 VAL 641 11.414 2.108 -7.342 866 HG21 VAL 641 3HG2 VAL 641 13.274 3.668 -6.812 867 HG22 VAL 641 1HG2 VAL 641 13.477 5.189 -7.724 868 HG23 VAL 641 2HG2 VAL 641 12.201 5.012 -6.478 869 H LEU 642 H LEU 642 12.137 0.930 -9.469 870 HA LEU 642 HA LEU 642 14.415 -0.182 -8.223 871 HB2 LEU 642 2HB LEU 642 12.314 -1.242 -8.689 872 HB3 LEU 642 3HB LEU 642 12.614 -1.207 -10.421 873 HG LEU 642 HG LEU 642 14.457 -2.650 -8.460 874 HD11 LEU 642 1HD1 LEU 642 12.003 -3.756 -9.885 875 HD12 LEU 642 2HD1 LEU 642 12.236 -3.564 -8.129 876 HD13 LEU 642 3HD1 LEU 642 13.225 -4.724 -9.021 877 HD21 LEU 642 3HD2 LEU 642 14.716 -4.054 -10.631 878 HD22 LEU 642 1HD2 LEU 642 15.481 -2.448 -10.543 879 HD23 LEU 642 2HD2 LEU 642 13.974 -2.679 -11.459 880 H GLU 643 H GLU 643 14.198 0.836 -11.701 881 HA GLU 643 HA GLU 643 16.746 -0.170 -12.368 882 HB2 GLU 643 2HB GLU 643 15.214 2.189 -13.485 883 HB3 GLU 643 3HB GLU 643 16.495 1.332 -14.330 884 HG2 GLU 643 2HG GLU 643 13.978 -0.136 -13.403 885 HG3 GLU 643 3HG GLU 643 13.967 0.831 -14.826 886 H GLU 644 H GLU 644 16.062 2.728 -10.447 887 HA GLU 644 HA GLU 644 18.539 4.124 -11.148 888 HB2 GLU 644 2HB GLU 644 16.514 4.418 -8.938 889 HB3 GLU 644 3HB GLU 644 17.926 5.436 -9.079 890 HG2 GLU 644 2HG GLU 644 16.280 5.256 -11.562 891 HG3 GLU 644 3HG GLU 644 15.431 5.846 -10.167 892 H TYR 645 H TYR 645 17.732 1.507 -9.071 893 HA TYR 645 HA TYR 645 20.248 1.760 -7.464 894 HB2 TYR 645 2HB TYR 645 17.491 0.942 -6.519 895 HB3 TYR 645 3HB TYR 645 18.970 0.883 -5.558 896 HD1 TYR 645 HD1 TYR 645 16.500 3.077 -7.180 897 HD2 TYR 645 HD2 TYR 645 19.963 2.920 -4.622 898 HE1 TYR 645 HE1 TYR 645 16.224 5.488 -6.686 899 HE2 TYR 645 HE2 TYR 645 19.621 5.315 -4.022 900 HH TYR 645 HH TYR 645 17.116 7.298 -5.626 901 HA PRO 646 HA PRO 646 20.102 -2.200 -9.855 902 HB2 PRO 646 2HB PRO 646 22.871 -2.479 -10.136 903 HB3 PRO 646 3HB PRO 646 21.743 -1.651 -11.258 904 HG2 PRO 646 2HG PRO 646 23.386 -0.409 -9.031 905 HG3 PRO 646 3HG PRO 646 23.227 0.109 -10.746 906 HD2 PRO 646 2HD PRO 646 21.729 1.341 -8.907 907 HD3 PRO 646 3HD PRO 646 20.960 0.796 -10.416 908 H MET 647 H MET 647 21.700 -1.594 -6.664 909 HA MET 647 HA MET 647 22.095 -4.496 -6.323 910 HB2 MET 647 2HB MET 647 23.064 -4.056 -4.335 911 HB3 MET 647 3HB MET 647 23.393 -2.524 -5.158 912 HG2 MET 647 2HG MET 647 21.195 -1.726 -4.136 913 HG3 MET 647 3HG MET 647 21.227 -3.176 -3.135 914 HE1 MET 647 3HE MET 647 20.656 -0.537 -2.340 915 HE2 MET 647 1HE MET 647 20.818 -1.794 -1.099 916 HE3 MET 647 2HE MET 647 21.596 -0.210 -0.847 917 H MET 648 H MET 648 19.555 -2.154 -5.867 918 HA MET 648 HA MET 648 17.819 -3.910 -4.274 919 HB2 MET 648 2HB MET 648 17.599 -1.117 -5.364 920 HB3 MET 648 3HB MET 648 16.162 -1.967 -4.790 921 HG2 MET 648 2HG MET 648 18.668 -1.550 -3.126 922 HG3 MET 648 3HG MET 648 17.310 -0.432 -3.165 923 HE1 MET 648 3HE MET 648 18.734 -2.431 -0.633 924 HE2 MET 648 1HE MET 648 17.764 -3.896 -0.384 925 HE3 MET 648 2HE MET 648 18.748 -3.728 -1.852 926 H ARG 649 H ARG 649 18.172 -2.947 -7.704 927 HA ARG 649 HA ARG 649 16.101 -4.428 -8.914 928 HB2 ARG 649 2HB ARG 649 17.954 -3.098 -10.047 929 HB3 ARG 649 3HB ARG 649 19.025 -4.460 -9.793 930 HG2 ARG 649 2HG ARG 649 16.607 -4.396 -11.612 931 HG3 ARG 649 3HG ARG 649 18.283 -4.283 -12.059 932 HD2 ARG 649 2HD ARG 649 18.647 -6.645 -11.351 933 HD3 ARG 649 3HD ARG 649 16.915 -6.781 -10.994 934 HE ARG 649 HE ARG 649 17.032 -5.730 -13.575 935 HH11 ARG 649 1HH1 ARG 649 17.700 -8.871 -12.196 936 HH12 ARG 649 2HH1 ARG 649 17.944 -9.603 -13.741 937 HH21 ARG 649 1HH2 ARG 649 17.175 -6.770 -15.509 938 HH22 ARG 649 2HH2 ARG 649 17.526 -8.478 -15.561 939 H ARG 650 H ARG 650 19.244 -5.685 -7.868 940 HA ARG 650 HA ARG 650 18.674 -8.489 -8.145 941 HB2 ARG 650 2HB ARG 650 20.886 -7.625 -8.173 942 HB3 ARG 650 3HB ARG 650 20.712 -6.837 -6.615 943 HG2 ARG 650 2HG ARG 650 20.625 -9.018 -5.462 944 HG3 ARG 650 3HG ARG 650 20.767 -9.851 -7.015 945 HD2 ARG 650 2HD ARG 650 22.780 -7.869 -5.840 946 HD3 ARG 650 3HD ARG 650 22.972 -9.619 -5.784 947 HE ARG 650 HE ARG 650 23.554 -7.862 -8.031 948 HH11 ARG 650 1HH1 ARG 650 22.718 -11.203 -7.363 949 HH12 ARG 650 2HH1 ARG 650 22.897 -11.646 -9.052 950 HH21 ARG 650 1HH2 ARG 650 23.776 -8.471 -10.029 951 HH22 ARG 650 2HH2 ARG 650 23.234 -10.052 -10.572 952 H ALA 651 H ALA 651 18.600 -6.403 -5.213 953 HA ALA 651 HA ALA 651 17.983 -8.380 -3.388 954 HB1 ALA 651 1HB ALA 651 17.332 -6.634 -1.878 955 HB2 ALA 651 2HB ALA 651 18.661 -6.021 -2.870 956 HB3 ALA 651 3HB ALA 651 16.974 -5.527 -3.206 957 H PHE 652 H PHE 652 15.610 -6.917 -5.591 958 HA PHE 652 HA PHE 652 13.356 -8.082 -4.096 959 HB2 PHE 652 2HB PHE 652 13.731 -6.118 -6.325 960 HB3 PHE 652 3HB PHE 652 12.271 -7.090 -6.406 961 HD1 PHE 652 1HD PHE 652 14.156 -4.744 -4.282 962 HD2 PHE 652 2HD PHE 652 10.512 -6.915 -4.851 963 HE1 PHE 652 1HE PHE 652 13.052 -3.350 -2.492 964 HE2 PHE 652 2HE PHE 652 9.384 -5.545 -3.082 965 HZ PHE 652 HZ PHE 652 10.629 -3.731 -1.953 966 H GLU 653 H GLU 653 15.194 -9.079 -6.897 967 HA GLU 653 HA GLU 653 13.158 -11.085 -7.659 968 HB2 GLU 653 2HB GLU 653 14.899 -11.776 -9.339 969 HB3 GLU 653 3HB GLU 653 14.169 -10.190 -9.507 970 HG2 GLU 653 2HG GLU 653 16.111 -9.162 -8.393 971 HG3 GLU 653 3HG GLU 653 16.923 -10.724 -8.304 972 H THR 654 H THR 654 16.258 -10.902 -6.028 973 HA THR 654 HA THR 654 16.804 -13.690 -5.727 974 HB THR 654 HB THR 654 18.285 -11.565 -5.600 975 HG1 THR 654 1HG THR 654 19.676 -12.685 -4.076 976 HG21 THR 654 1HG2 THR 654 16.910 -10.674 -3.590 977 HG22 THR 654 2HG2 THR 654 18.687 -10.577 -3.502 978 HG23 THR 654 3HG2 THR 654 17.816 -11.853 -2.622 979 H VAL 655 H VAL 655 14.481 -11.870 -4.256 980 HA VAL 655 HA VAL 655 14.268 -13.499 -1.769 981 HB VAL 655 HB VAL 655 14.600 -11.113 -1.398 982 HG11 VAL 655 1HG1 VAL 655 13.070 -9.422 -2.073 983 HG12 VAL 655 2HG1 VAL 655 13.741 -10.271 -3.468 984 HG13 VAL 655 3HG1 VAL 655 12.055 -10.584 -2.944 985 HG21 VAL 655 3HG2 VAL 655 11.718 -11.888 -0.775 986 HG22 VAL 655 1HG2 VAL 655 13.138 -12.396 0.169 987 HG23 VAL 655 2HG2 VAL 655 12.698 -10.683 0.073 988 H ALA 656 H ALA 656 12.402 -12.218 -4.522 989 HA ALA 656 HA ALA 656 9.910 -13.403 -3.859 990 HB1 ALA 656 1HB ALA 656 10.199 -11.645 -5.552 991 HB2 ALA 656 2HB ALA 656 11.108 -12.768 -6.589 992 HB3 ALA 656 3HB ALA 656 9.390 -13.062 -6.242 993 H ILE 657 H ILE 657 12.782 -14.835 -5.376 994 HA ILE 657 HA ILE 657 11.567 -17.304 -6.134 995 HB ILE 657 HB ILE 657 13.852 -18.196 -6.276 996 HG12 ILE 657 2HG1 ILE 657 15.793 -16.710 -6.146 997 HG13 ILE 657 3HG1 ILE 657 14.822 -15.428 -5.433 998 HG21 ILE 657 1HG2 ILE 657 12.734 -16.981 -8.110 999 HG22 ILE 657 2HG2 ILE 657 13.477 -15.464 -7.565 1000 HG23 ILE 657 3HG2 ILE 657 14.496 -16.796 -8.139 1001 HD11 ILE 657 3HD1 ILE 657 14.589 -16.621 -3.387 1002 HD12 ILE 657 1HD1 ILE 657 15.159 -18.149 -4.119 1003 HD13 ILE 657 2HD1 ILE 657 16.283 -16.800 -3.856 1004 H ASP 658 H ASP 658 12.024 -16.239 -2.935 1005 HA ASP 658 HA ASP 658 11.552 -19.045 -1.995 1006 HB2 ASP 658 2HB ASP 658 13.998 -18.254 -1.820 1007 HB3 ASP 658 3HB ASP 658 13.437 -17.126 -0.585 1008 H ARG 659 H ARG 659 10.940 -15.612 -1.495 1009 HA ARG 659 HA ARG 659 9.453 -15.927 0.981 1010 HB2 ARG 659 2HB ARG 659 10.606 -13.857 0.210 1011 HB3 ARG 659 3HB ARG 659 9.418 -13.692 -1.092 1012 HG2 ARG 659 2HG ARG 659 7.609 -13.458 0.622 1013 HG3 ARG 659 3HG ARG 659 8.829 -13.633 1.905 1014 HD2 ARG 659 2HD ARG 659 10.020 -11.638 0.848 1015 HD3 ARG 659 3HD ARG 659 8.602 -11.419 -0.176 1016 HE ARG 659 HE ARG 659 7.258 -11.126 1.957 1017 HH11 ARG 659 1HH1 ARG 659 10.694 -10.829 2.424 1018 HH12 ARG 659 2HH1 ARG 659 10.532 -9.602 3.630 1019 HH21 ARG 659 1HH2 ARG 659 7.084 -9.759 3.579 1020 HH22 ARG 659 2HH2 ARG 659 8.518 -9.078 4.360 1021 H LEU 660 H LEU 660 8.561 -15.981 -2.431 1022 HA LEU 660 HA LEU 660 5.718 -15.761 -2.080 1023 HB2 LEU 660 2HB LEU 660 7.158 -15.212 -4.099 1024 HB3 LEU 660 3HB LEU 660 7.272 -16.932 -4.430 1025 HG LEU 660 HG LEU 660 4.734 -15.256 -4.391 1026 HD11 LEU 660 1HD1 LEU 660 4.798 -15.555 -6.845 1027 HD12 LEU 660 2HD1 LEU 660 6.304 -16.474 -6.701 1028 HD13 LEU 660 3HD1 LEU 660 6.261 -14.749 -6.271 1029 HD21 LEU 660 3HD2 LEU 660 4.088 -17.551 -3.874 1030 HD22 LEU 660 1HD2 LEU 660 5.134 -18.176 -5.176 1031 HD23 LEU 660 2HD2 LEU 660 3.686 -17.221 -5.549 1032 H ASP 661 H ASP 661 7.616 -18.581 -3.162 1033 HA ASP 661 HA ASP 661 6.156 -20.399 -1.312 1034 HB2 ASP 661 2HB ASP 661 6.791 -20.836 -4.267 1035 HB3 ASP 661 3HB ASP 661 6.596 -22.170 -3.133 1036 H ARG 662 H ARG 662 7.632 -21.486 -0.024 1037 HA ARG 662 HA ARG 662 10.435 -20.830 -0.303 1038 HB2 ARG 662 2HB ARG 662 8.854 -22.589 1.581 1039 HB3 ARG 662 3HB ARG 662 10.622 -22.544 1.635 1040 HG2 ARG 662 2HG ARG 662 10.667 -20.186 2.069 1041 HG3 ARG 662 3HG ARG 662 8.918 -20.019 1.803 1042 HD2 ARG 662 2HD ARG 662 8.382 -21.274 3.734 1043 HD3 ARG 662 3HD ARG 662 10.039 -21.857 3.938 1044 HE ARG 662 HE ARG 662 10.661 -19.401 4.355 1045 HH11 ARG 662 1HH1 ARG 662 7.501 -20.613 5.411 1046 HH12 ARG 662 2HH1 ARG 662 7.556 -19.555 6.812 1047 HH21 ARG 662 1HH2 ARG 662 10.587 -18.187 6.063 1048 HH22 ARG 662 2HH2 ARG 662 9.324 -18.403 7.281 1049 H ILE 663 H ILE 663 8.710 -23.879 -1.019 1050 HA ILE 663 HA ILE 663 9.277 -25.711 -2.193 1051 HB ILE 663 HB ILE 663 11.589 -24.141 -3.359 1052 HG12 ILE 663 2HG1 ILE 663 9.672 -22.758 -3.723 1053 HG13 ILE 663 3HG1 ILE 663 10.144 -23.540 -5.210 1054 HG21 ILE 663 1HG2 ILE 663 10.071 -26.544 -4.354 1055 HG22 ILE 663 2HG2 ILE 663 11.210 -25.602 -5.336 1056 HG23 ILE 663 3HG2 ILE 663 11.790 -26.458 -3.912 1057 HD11 ILE 663 3HD1 ILE 663 7.819 -24.370 -3.442 1058 HD12 ILE 663 1HD1 ILE 663 7.716 -23.501 -4.986 1059 HD13 ILE 663 2HD1 ILE 663 8.296 -25.177 -4.956 1060 H GLY 664 H GLY 664 12.091 -24.358 -0.496 1061 HA2 GLY 664 2HA GLY 664 13.013 -25.502 1.365 1062 HA3 GLY 664 3HA GLY 664 12.578 -27.066 0.668 1063 H LYS 665 H LYS 665 14.680 -24.241 0.166 1064 HA LYS 665 HA LYS 665 17.012 -25.926 -0.477 1065 HB2 LYS 665 2HB LYS 665 17.397 -25.201 -2.662 1066 HB3 LYS 665 3HB LYS 665 15.685 -25.542 -2.659 1067 HG2 LYS 665 2HG LYS 665 16.918 -22.778 -2.538 1068 HG3 LYS 665 3HG LYS 665 16.207 -23.599 -3.935 1069 HD2 LYS 665 2HD LYS 665 14.058 -23.805 -2.431 1070 HD3 LYS 665 3HD LYS 665 14.835 -22.519 -1.470 1071 HE2 LYS 665 2HE LYS 665 15.132 -21.252 -3.659 1072 HE3 LYS 665 3HE LYS 665 14.169 -22.534 -4.422 1073 HZ1 LYS 665 3HZ LYS 665 12.379 -21.979 -2.839 1074 HZ2 LYS 665 1HZ LYS 665 12.740 -20.693 -3.797 1075 HZ3 LYS 665 2HZ LYS 665 13.257 -20.781 -2.207 1076 H LYS 666 H LYS 666 18.976 -24.384 -1.013 1077 HA LYS 666 HA LYS 666 18.967 -22.132 0.988 1078 HB2 LYS 666 2HB LYS 666 21.245 -23.965 0.156 1079 HB3 LYS 666 3HB LYS 666 21.379 -22.636 1.301 1080 HG2 LYS 666 2HG LYS 666 19.632 -25.109 1.684 1081 HG3 LYS 666 3HG LYS 666 21.242 -24.895 2.351 1082 HD2 LYS 666 2HD LYS 666 18.940 -23.032 3.047 1083 HD3 LYS 666 3HD LYS 666 19.327 -24.509 3.935 1084 HE2 LYS 666 2HE LYS 666 21.619 -23.686 4.367 1085 HE3 LYS 666 3HE LYS 666 21.241 -22.173 3.520 1086 HZ1 LYS 666 3HZ LYS 666 19.511 -21.760 5.171 1087 HZ2 LYS 666 1HZ LYS 666 20.947 -21.959 5.945 1088 HZ3 LYS 666 2HZ LYS 666 19.810 -23.143 5.943 1089 H ASN 667 H ASN 667 20.255 -20.333 0.620 1090 HA ASN 667 HA ASN 667 21.263 -19.817 -2.124 1091 HB2 ASN 667 2HB ASN 667 20.071 -17.677 -2.231 1092 HB3 ASN 667 3HB ASN 667 18.925 -18.998 -2.094 1093 HD21 ASN 667 HD21 ASN 667 17.515 -19.044 -0.278 1094 HD22 ASN 667 HD22 ASN 667 17.552 -17.785 0.934 1095 H SER 668 H SER 668 22.343 -17.416 -2.011 1096 HA SER 668 HA SER 668 24.285 -17.427 0.170 1097 HB2 SER 668 2HB SER 668 25.025 -15.266 -0.806 1098 HB3 SER 668 3HB SER 668 25.052 -16.631 -1.927 1099 HG SER 668 HG SER 668 24.107 -14.486 -2.598 1100 H ILE 669 H ILE 669 22.210 -14.737 -0.786 1101 HA ILE 669 HA ILE 669 21.183 -14.329 1.962 1102 HB ILE 669 HB ILE 669 21.848 -11.958 1.934 1103 HG12 ILE 669 2HG1 ILE 669 23.489 -12.658 -0.529 1104 HG13 ILE 669 3HG1 ILE 669 22.091 -11.585 -0.468 1105 HG21 ILE 669 1HG2 ILE 669 23.180 -13.744 3.098 1106 HG22 ILE 669 2HG2 ILE 669 24.285 -13.775 1.703 1107 HG23 ILE 669 3HG2 ILE 669 24.115 -12.313 2.687 1108 HD11 ILE 669 3HD1 ILE 669 24.084 -10.230 -0.516 1109 HD12 ILE 669 1HD1 ILE 669 23.348 -10.077 1.083 1110 HD13 ILE 669 2HD1 ILE 669 24.783 -11.104 0.850 1111 H LEU 670 H LEU 670 19.397 -12.929 2.088 1112 HA LEU 670 HA LEU 670 18.136 -11.969 -0.363 1113 HB2 LEU 670 2HB LEU 670 16.184 -13.213 -0.364 1114 HB3 LEU 670 3HB LEU 670 17.455 -14.409 -0.215 1115 HG LEU 670 HG LEU 670 15.665 -13.434 2.062 1116 HD11 LEU 670 1HD1 LEU 670 14.441 -14.718 0.365 1117 HD12 LEU 670 2HD1 LEU 670 14.615 -15.648 1.858 1118 HD13 LEU 670 3HD1 LEU 670 15.649 -16.022 0.461 1119 HD21 LEU 670 3HD2 LEU 670 17.700 -15.706 1.961 1120 HD22 LEU 670 1HD2 LEU 670 16.527 -15.437 3.269 1121 HD23 LEU 670 2HD2 LEU 670 17.792 -14.248 2.976 1122 H LEU 671 H LEU 671 16.290 -10.609 -0.023 1123 HA LEU 671 HA LEU 671 16.571 -8.901 2.243 1124 HB2 LEU 671 2HB LEU 671 15.914 -8.140 0.022 1125 HB3 LEU 671 3HB LEU 671 14.437 -9.090 0.089 1126 HG LEU 671 HG LEU 671 13.517 -7.669 1.843 1127 HD11 LEU 671 1HD1 LEU 671 16.237 -6.294 1.765 1128 HD12 LEU 671 2HD1 LEU 671 15.387 -6.979 3.179 1129 HD13 LEU 671 3HD1 LEU 671 14.781 -5.517 2.407 1130 HD21 LEU 671 3HD2 LEU 671 13.269 -7.003 -0.536 1131 HD22 LEU 671 1HD2 LEU 671 14.743 -6.020 -0.411 1132 HD23 LEU 671 2HD2 LEU 671 13.303 -5.602 0.542 1133 H HIS 672 H HIS 672 15.521 -8.692 4.035 1134 HA HIS 672 HA HIS 672 14.613 -10.668 5.624 1135 HB2 HIS 672 2HB HIS 672 15.410 -8.295 6.062 1136 HB3 HIS 672 3HB HIS 672 13.787 -7.747 5.758 1137 HD1 HIS 672 1HD HIS 672 11.906 -9.280 7.577 1138 HD2 HIS 672 2HD HIS 672 15.899 -8.414 8.566 1139 HE1 HIS 672 1HE HIS 672 12.022 -9.287 10.107 Start of MODEL 12 1 H ASN 534 H ASN 534 7.079 8.612 10.322 2 HA ASN 534 HA ASN 534 4.845 9.250 8.691 3 HB2 ASN 534 2HB ASN 534 4.607 11.545 8.913 4 HB3 ASN 534 3HB ASN 534 4.644 10.965 10.560 5 HD21 ASN 534 HD21 ASN 534 4.940 13.363 10.770 6 HD22 ASN 534 HD22 ASN 534 6.622 13.959 10.687 7 H CYS 535 H CYS 535 5.736 11.001 6.906 8 HA CYS 535 HA CYS 535 6.981 11.022 5.023 9 HB2 CYS 535 2HB CYS 535 9.258 11.272 7.022 10 HB3 CYS 535 3HB CYS 535 9.307 11.737 5.309 11 HG CYS 535 HG CYS 535 7.514 12.897 7.813 12 H ARG 536 H ARG 536 9.984 9.744 5.308 13 HA ARG 536 HA ARG 536 9.211 7.606 3.571 14 HB2 ARG 536 2HB ARG 536 11.482 7.126 3.281 15 HB3 ARG 536 3HB ARG 536 11.366 8.873 3.441 16 HG2 ARG 536 2HG ARG 536 12.177 8.674 5.816 17 HG3 ARG 536 3HG ARG 536 12.274 6.921 5.609 18 HD2 ARG 536 2HD ARG 536 14.475 7.709 5.328 19 HD3 ARG 536 3HD ARG 536 13.907 7.287 3.721 20 HE ARG 536 HE ARG 536 13.648 9.642 3.187 21 HH11 ARG 536 1HH1 ARG 536 15.672 9.087 6.067 22 HH12 ARG 536 2HH1 ARG 536 16.214 10.752 6.026 23 HH21 ARG 536 1HH2 ARG 536 14.342 11.720 3.363 24 HH22 ARG 536 2HH2 ARG 536 15.684 12.105 4.406 25 H LYS 537 H LYS 537 9.751 7.509 7.035 26 HA LYS 537 HA LYS 537 10.072 4.719 7.433 27 HB2 LYS 537 2HB LYS 537 8.748 6.853 9.139 28 HB3 LYS 537 3HB LYS 537 8.920 5.169 9.661 29 HG2 LYS 537 2HG LYS 537 11.356 5.277 9.176 30 HG3 LYS 537 3HG LYS 537 11.157 6.998 8.794 31 HD2 LYS 537 2HD LYS 537 10.448 7.462 11.093 32 HD3 LYS 537 3HD LYS 537 10.384 5.732 11.453 33 HE2 LYS 537 2HE LYS 537 12.359 6.752 12.466 34 HE3 LYS 537 3HE LYS 537 12.800 5.525 11.282 35 HZ1 LYS 537 3HZ LYS 537 12.767 8.414 10.640 36 HZ2 LYS 537 1HZ LYS 537 13.417 7.197 9.742 37 HZ3 LYS 537 2HZ LYS 537 14.107 7.615 11.179 38 H LEU 538 H LEU 538 7.235 6.377 6.478 39 HA LEU 538 HA LEU 538 5.240 4.477 7.334 40 HB2 LEU 538 2HB LEU 538 5.229 6.536 5.109 41 HB3 LEU 538 3HB LEU 538 3.831 5.552 5.483 42 HG LEU 538 HG LEU 538 5.139 7.379 7.522 43 HD11 LEU 538 1HD1 LEU 538 3.259 8.946 7.030 44 HD12 LEU 538 2HD1 LEU 538 2.775 7.905 5.675 45 HD13 LEU 538 3HD1 LEU 538 4.343 8.723 5.644 46 HD21 LEU 538 3HD2 LEU 538 2.374 6.085 7.415 47 HD22 LEU 538 1HD2 LEU 538 2.951 7.205 8.671 48 HD23 LEU 538 2HD2 LEU 538 3.701 5.619 8.502 49 H VAL 539 H VAL 539 7.020 4.760 4.272 50 HA VAL 539 HA VAL 539 5.947 2.153 3.318 51 HB VAL 539 HB VAL 539 6.221 4.301 1.896 52 HG11 VAL 539 1HG1 VAL 539 8.318 4.363 0.611 53 HG12 VAL 539 2HG1 VAL 539 8.607 4.683 2.341 54 HG13 VAL 539 3HG1 VAL 539 8.989 3.086 1.634 55 HG21 VAL 539 3HG2 VAL 539 7.016 1.538 0.973 56 HG22 VAL 539 1HG2 VAL 539 5.383 2.211 1.036 57 HG23 VAL 539 2HG2 VAL 539 6.562 2.879 -0.104 58 H ALA 540 H ALA 540 9.024 3.583 4.423 59 HA ALA 540 HA ALA 540 10.614 1.376 3.695 60 HB1 ALA 540 1HB ALA 540 12.382 2.562 4.830 61 HB2 ALA 540 2HB ALA 540 11.343 3.767 4.050 62 HB3 ALA 540 3HB ALA 540 11.218 3.477 5.803 63 H SER 541 H SER 541 8.385 1.188 6.172 64 HA SER 541 HA SER 541 10.050 -0.108 8.198 65 HB2 SER 541 2HB SER 541 7.958 -0.579 9.340 66 HB3 SER 541 3HB SER 541 7.957 1.107 8.797 67 HG SER 541 HG SER 541 6.001 0.279 8.231 68 H MET 542 H MET 542 8.223 -1.043 5.387 69 HA MET 542 HA MET 542 7.758 -3.720 5.923 70 HB2 MET 542 2HB MET 542 7.620 -1.868 3.612 71 HB3 MET 542 3HB MET 542 7.962 -3.517 3.126 72 HG2 MET 542 2HG MET 542 5.845 -3.498 5.142 73 HG3 MET 542 3HG MET 542 5.482 -2.273 3.944 74 HE1 MET 542 3HE MET 542 4.875 -4.177 0.719 75 HE2 MET 542 1HE MET 542 4.372 -2.765 1.696 76 HE3 MET 542 2HE MET 542 6.095 -3.020 1.298 77 HA PRO 543 HA PRO 543 11.461 -5.987 5.107 78 HB2 PRO 543 2HB PRO 543 10.583 -8.301 3.978 79 HB3 PRO 543 3HB PRO 543 10.187 -7.849 5.668 80 HG2 PRO 543 2HG PRO 543 8.487 -7.412 3.186 81 HG3 PRO 543 3HG PRO 543 7.997 -8.201 4.731 82 HD2 PRO 543 2HD PRO 543 7.501 -5.598 4.206 83 HD3 PRO 543 3HD PRO 543 7.928 -6.070 5.858 84 H LEU 544 H LEU 544 9.345 -5.216 2.395 85 HA LEU 544 HA LEU 544 11.102 -5.766 0.220 86 HB2 LEU 544 2HB LEU 544 9.289 -3.358 0.269 87 HB3 LEU 544 3HB LEU 544 9.779 -4.374 -1.076 88 HG LEU 544 HG LEU 544 7.702 -4.981 1.033 89 HD11 LEU 544 1HD1 LEU 544 7.590 -4.722 -2.006 90 HD12 LEU 544 2HD1 LEU 544 7.068 -3.481 -0.853 91 HD13 LEU 544 3HD1 LEU 544 6.209 -5.035 -0.939 92 HD21 LEU 544 3HD2 LEU 544 7.215 -7.064 -0.121 93 HD22 LEU 544 1HD2 LEU 544 8.858 -7.107 0.528 94 HD23 LEU 544 2HD2 LEU 544 8.611 -6.831 -1.208 95 H PHE 545 H PHE 545 11.397 -3.427 2.725 96 HA PHE 545 HA PHE 545 13.482 -1.929 1.223 97 HB2 PHE 545 2HB PHE 545 11.732 -0.794 3.406 98 HB3 PHE 545 3HB PHE 545 12.822 0.088 2.355 99 HD1 PHE 545 1HD PHE 545 12.231 0.265 -0.177 100 HD2 PHE 545 2HD PHE 545 9.532 -1.254 2.798 101 HE1 PHE 545 1HE PHE 545 10.304 0.791 -1.654 102 HE2 PHE 545 2HE PHE 545 7.604 -0.805 1.297 103 HZ PHE 545 HZ PHE 545 7.977 0.285 -0.893 104 H ALA 546 H ALA 546 13.526 -4.318 3.114 105 HA ALA 546 HA ALA 546 14.915 -3.866 5.549 106 HB1 ALA 546 1HB ALA 546 15.387 -5.892 3.323 107 HB2 ALA 546 2HB ALA 546 15.960 -6.054 4.989 108 HB3 ALA 546 3HB ALA 546 14.203 -6.079 4.652 109 H ASN 547 H ASN 547 16.036 -3.845 2.212 110 HA ASN 547 HA ASN 547 18.786 -3.050 3.033 111 HB2 ASN 547 2HB ASN 547 17.660 -5.185 1.418 112 HB3 ASN 547 3HB ASN 547 18.573 -4.154 0.369 113 HD21 ASN 547 HD21 ASN 547 18.688 -6.083 3.294 114 HD22 ASN 547 HD22 ASN 547 20.436 -6.009 3.431 115 H ALA 548 H ALA 548 16.136 -1.551 1.961 116 HA ALA 548 HA ALA 548 16.888 -0.301 -0.466 117 HB1 ALA 548 1HB ALA 548 15.095 1.374 0.165 118 HB2 ALA 548 2HB ALA 548 14.591 -0.324 0.236 119 HB3 ALA 548 3HB ALA 548 14.983 0.574 1.734 120 H ASP 549 H ASP 549 17.864 1.557 -1.046 121 HA ASP 549 HA ASP 549 19.528 3.082 0.790 122 HB2 ASP 549 2HB ASP 549 20.143 2.599 -1.564 123 HB3 ASP 549 3HB ASP 549 18.755 3.524 -2.127 124 HA PRO 550 HA PRO 550 16.185 5.734 2.105 125 HB2 PRO 550 2HB PRO 550 17.514 7.990 2.964 126 HB3 PRO 550 3HB PRO 550 17.555 6.428 3.839 127 HG2 PRO 550 2HG PRO 550 19.573 7.465 1.806 128 HG3 PRO 550 3HG PRO 550 19.898 6.861 3.468 129 HD2 PRO 550 2HD PRO 550 20.173 5.224 1.361 130 HD3 PRO 550 3HD PRO 550 19.363 4.617 2.836 131 H ASN 551 H ASN 551 18.394 6.818 -0.462 132 HA ASN 551 HA ASN 551 16.741 9.118 -1.249 133 HB2 ASN 551 2HB ASN 551 18.950 7.648 -2.755 134 HB3 ASN 551 3HB ASN 551 18.261 9.205 -3.185 135 HD21 ASN 551 HD21 ASN 551 20.413 7.512 -1.016 136 HD22 ASN 551 HD22 ASN 551 21.121 8.969 -0.282 137 H PHE 552 H PHE 552 17.209 5.756 -2.313 138 HA PHE 552 HA PHE 552 15.432 5.663 -4.552 139 HB2 PHE 552 2HB PHE 552 16.947 3.832 -4.123 140 HB3 PHE 552 3HB PHE 552 16.374 3.634 -2.500 141 HD1 PHE 552 1HD PHE 552 15.057 3.360 -6.021 142 HD2 PHE 552 2HD PHE 552 14.895 1.942 -1.968 143 HE1 PHE 552 1HE PHE 552 13.500 1.553 -6.716 144 HE2 PHE 552 2HE PHE 552 13.350 0.121 -2.661 145 HZ PHE 552 HZ PHE 552 12.658 -0.077 -5.042 146 H VAL 553 H VAL 553 14.835 4.791 -1.139 147 HA VAL 553 HA VAL 553 12.054 4.267 -1.503 148 HB VAL 553 HB VAL 553 13.691 3.476 0.290 149 HG11 VAL 553 1HG1 VAL 553 12.748 5.948 1.777 150 HG12 VAL 553 2HG1 VAL 553 13.819 4.663 2.375 151 HG13 VAL 553 3HG1 VAL 553 14.360 5.733 1.069 152 HG21 VAL 553 3HG2 VAL 553 12.019 3.052 1.917 153 HG22 VAL 553 1HG2 VAL 553 11.010 4.394 1.324 154 HG23 VAL 553 2HG2 VAL 553 11.260 2.947 0.312 155 H THR 554 H THR 554 13.736 7.256 -0.856 156 HA THR 554 HA THR 554 11.349 8.795 -0.141 157 HB THR 554 HB THR 554 14.201 9.646 -0.739 158 HG1 THR 554 1HG THR 554 14.325 8.739 1.107 159 HG21 THR 554 1HG2 THR 554 11.817 11.198 0.324 160 HG22 THR 554 2HG2 THR 554 12.753 11.527 -1.157 161 HG23 THR 554 3HG2 THR 554 13.519 11.747 0.419 162 H ALA 555 H ALA 555 13.321 8.275 -3.117 163 HA ALA 555 HA ALA 555 12.117 10.441 -4.559 164 HB1 ALA 555 1HB ALA 555 13.111 9.275 -6.542 165 HB2 ALA 555 2HB ALA 555 14.274 9.444 -5.219 166 HB3 ALA 555 3HB ALA 555 13.492 7.876 -5.514 167 H MET 556 H MET 556 11.155 7.173 -3.845 168 HA MET 556 HA MET 556 9.142 6.728 -5.829 169 HB2 MET 556 2HB MET 556 10.330 5.191 -4.120 170 HB3 MET 556 3HB MET 556 9.095 5.702 -2.965 171 HG2 MET 556 2HG MET 556 7.338 4.851 -4.486 172 HG3 MET 556 3HG MET 556 8.563 4.419 -5.678 173 HE1 MET 556 3HE MET 556 10.533 1.529 -3.824 174 HE2 MET 556 1HE MET 556 10.644 2.823 -5.037 175 HE3 MET 556 2HE MET 556 10.837 3.186 -3.287 176 H LEU 557 H LEU 557 9.149 8.624 -2.874 177 HA LEU 557 HA LEU 557 6.285 8.771 -2.538 178 HB2 LEU 557 2HB LEU 557 8.366 10.586 -1.283 179 HB3 LEU 557 3HB LEU 557 6.784 10.145 -0.648 180 HG LEU 557 HG LEU 557 9.205 8.326 -0.926 181 HD11 LEU 557 1HD1 LEU 557 9.400 9.947 0.885 182 HD12 LEU 557 2HD1 LEU 557 9.280 8.268 1.447 183 HD13 LEU 557 3HD1 LEU 557 7.866 9.347 1.577 184 HD21 LEU 557 3HD2 LEU 557 6.451 7.712 0.228 185 HD22 LEU 557 1HD2 LEU 557 7.872 6.666 0.363 186 HD23 LEU 557 2HD2 LEU 557 7.165 6.971 -1.225 187 H THR 558 H THR 558 8.445 10.482 -4.585 188 HA THR 558 HA THR 558 7.422 13.109 -4.605 189 HB THR 558 HB THR 558 8.234 13.210 -6.975 190 HG1 THR 558 1HG THR 558 9.263 10.620 -6.639 191 HG21 THR 558 1HG2 THR 558 9.799 13.637 -5.157 192 HG22 THR 558 2HG2 THR 558 10.609 12.761 -6.468 193 HG23 THR 558 3HG2 THR 558 10.143 11.910 -4.980 194 H LYS 559 H LYS 559 6.207 10.270 -6.373 195 HA LYS 559 HA LYS 559 4.117 11.873 -7.720 196 HB2 LYS 559 2HB LYS 559 3.898 9.982 -9.175 197 HB3 LYS 559 3HB LYS 559 5.594 10.378 -9.018 198 HG2 LYS 559 2HG LYS 559 6.132 8.361 -8.168 199 HG3 LYS 559 3HG LYS 559 4.845 8.384 -6.976 200 HD2 LYS 559 2HD LYS 559 4.524 7.589 -9.888 201 HD3 LYS 559 3HD LYS 559 4.639 6.478 -8.511 202 HE2 LYS 559 2HE LYS 559 2.579 7.354 -7.542 203 HE3 LYS 559 3HE LYS 559 2.441 8.570 -8.808 204 HZ1 LYS 559 3HZ LYS 559 1.031 6.715 -9.300 205 HZ2 LYS 559 1HZ LYS 559 2.261 5.646 -9.253 206 HZ3 LYS 559 2HZ LYS 559 2.218 6.808 -10.442 207 H LEU 560 H LEU 560 4.169 10.465 -4.757 208 HA LEU 560 HA LEU 560 2.414 8.371 -4.803 209 HB2 LEU 560 2HB LEU 560 3.459 10.175 -2.723 210 HB3 LEU 560 3HB LEU 560 1.846 9.644 -2.325 211 HG LEU 560 HG LEU 560 4.166 7.776 -2.949 212 HD11 LEU 560 1HD1 LEU 560 4.053 7.297 -0.517 213 HD12 LEU 560 2HD1 LEU 560 2.786 8.529 -0.334 214 HD13 LEU 560 3HD1 LEU 560 4.421 9.003 -0.819 215 HD21 LEU 560 3HD2 LEU 560 2.101 6.638 -3.514 216 HD22 LEU 560 1HD2 LEU 560 1.289 7.245 -2.056 217 HD23 LEU 560 2HD2 LEU 560 2.602 6.054 -1.933 218 H LYS 561 H LYS 561 0.338 7.990 -5.055 219 HA LYS 561 HA LYS 561 -1.421 10.315 -5.640 220 HB2 LYS 561 2HB LYS 561 -0.793 8.268 -7.265 221 HB3 LYS 561 3HB LYS 561 -2.112 7.489 -6.409 222 HG2 LYS 561 2HG LYS 561 -3.285 8.429 -8.145 223 HG3 LYS 561 3HG LYS 561 -3.398 9.769 -7.018 224 HD2 LYS 561 2HD LYS 561 -1.526 9.438 -9.394 225 HD3 LYS 561 3HD LYS 561 -2.823 10.621 -9.196 226 HE2 LYS 561 2HE LYS 561 -1.531 11.708 -7.362 227 HE3 LYS 561 3HE LYS 561 -0.222 10.534 -7.596 228 HZ1 LYS 561 3HZ LYS 561 -1.162 12.458 -9.643 229 HZ2 LYS 561 1HZ LYS 561 0.081 11.375 -9.827 230 HZ3 LYS 561 2HZ LYS 561 0.184 12.624 -8.749 231 H PHE 562 H PHE 562 -3.515 10.478 -4.893 232 HA PHE 562 HA PHE 562 -4.226 8.677 -2.663 233 HB2 PHE 562 2HB PHE 562 -4.072 10.230 -1.090 234 HB3 PHE 562 3HB PHE 562 -2.853 10.885 -2.121 235 HD1 PHE 562 2HD PHE 562 -6.270 11.241 -0.841 236 HD2 PHE 562 1HD PHE 562 -3.209 13.025 -3.266 237 HE1 PHE 562 2HE PHE 562 -7.495 13.444 -0.794 238 HE2 PHE 562 1HE PHE 562 -4.403 15.215 -3.198 239 HZ PHE 562 HZ PHE 562 -6.547 15.415 -1.954 240 H GLU 563 H GLU 563 -6.242 8.582 -1.942 241 HA GLU 563 HA GLU 563 -8.471 9.746 -3.548 242 HB2 GLU 563 2HB GLU 563 -7.908 6.805 -3.015 243 HB3 GLU 563 3HB GLU 563 -9.543 7.397 -3.358 244 HG2 GLU 563 2HG GLU 563 -8.858 8.243 -5.530 245 HG3 GLU 563 3HG GLU 563 -7.177 7.774 -5.231 246 H VAL 564 H VAL 564 -10.380 9.984 -2.403 247 HA VAL 564 HA VAL 564 -10.222 9.490 0.550 248 HB VAL 564 HB VAL 564 -11.808 11.708 -0.762 249 HG11 VAL 564 1HG1 VAL 564 -12.018 12.609 1.406 250 HG12 VAL 564 2HG1 VAL 564 -12.629 10.977 1.478 251 HG13 VAL 564 3HG1 VAL 564 -11.015 11.334 2.142 252 HG21 VAL 564 3HG2 VAL 564 -9.445 12.192 -1.114 253 HG22 VAL 564 1HG2 VAL 564 -10.033 13.206 0.212 254 HG23 VAL 564 2HG2 VAL 564 -9.071 11.744 0.563 255 H PHE 565 H PHE 565 -11.853 8.612 1.575 256 HA PHE 565 HA PHE 565 -14.298 7.867 0.049 257 HB2 PHE 565 2HB PHE 565 -12.787 6.115 1.996 258 HB3 PHE 565 3HB PHE 565 -14.380 5.761 1.328 259 HD1 PHE 565 2HD PHE 565 -10.782 6.240 0.439 260 HD2 PHE 565 1HD PHE 565 -14.653 4.938 -0.936 261 HE1 PHE 565 2HE PHE 565 -9.738 5.309 -1.613 262 HE2 PHE 565 1HE PHE 565 -13.589 3.959 -2.963 263 HZ PHE 565 HZ PHE 565 -11.145 4.152 -3.307 264 H GLN 566 H GLN 566 -16.202 8.085 1.027 265 HA GLN 566 HA GLN 566 -16.210 9.921 3.364 266 HB2 GLN 566 2HB GLN 566 -18.344 9.314 1.301 267 HB3 GLN 566 3HB GLN 566 -18.378 10.645 2.465 268 HG2 GLN 566 2HG GLN 566 -16.702 10.182 -0.007 269 HG3 GLN 566 3HG GLN 566 -17.928 11.418 0.257 270 HE21 GLN 566 HE21 GLN 566 -15.034 11.604 -0.445 271 HE22 GLN 566 HE22 GLN 566 -14.615 12.847 0.710 272 HA PRO 567 HA PRO 567 -17.930 7.380 6.320 273 HB2 PRO 567 2HB PRO 567 -20.485 8.934 6.610 274 HB3 PRO 567 3HB PRO 567 -19.278 8.481 7.852 275 HG2 PRO 567 2HG PRO 567 -19.419 11.014 6.825 276 HG3 PRO 567 3HG PRO 567 -17.854 10.266 7.226 277 HD2 PRO 567 2HD PRO 567 -19.154 10.581 4.542 278 HD3 PRO 567 3HD PRO 567 -17.428 10.733 4.988 279 H GLY 568 H GLY 568 -18.572 5.338 5.932 280 HA2 GLY 568 2HA GLY 568 -20.199 3.657 5.932 281 HA3 GLY 568 3HA GLY 568 -21.354 4.735 5.142 282 H ASP 569 H ASP 569 -18.557 5.279 3.390 283 HA ASP 569 HA ASP 569 -19.644 3.601 1.342 284 HB2 ASP 569 2HB ASP 569 -18.982 6.082 1.136 285 HB3 ASP 569 3HB ASP 569 -17.324 5.501 0.985 286 H TYR 570 H TYR 570 -18.751 1.881 0.379 287 HA TYR 570 HA TYR 570 -16.636 0.379 1.619 288 HB2 TYR 570 2HB TYR 570 -18.047 0.089 -1.040 289 HB3 TYR 570 3HB TYR 570 -16.772 -0.998 -0.516 290 HD1 TYR 570 HD2 TYR 570 -17.023 -2.334 1.620 291 HD2 TYR 570 HD1 TYR 570 -20.319 -0.307 -0.275 292 HE1 TYR 570 HE2 TYR 570 -18.632 -3.755 2.874 293 HE2 TYR 570 HE1 TYR 570 -21.924 -1.704 0.992 294 HH TYR 570 HH TYR 570 -22.188 -3.440 2.485 295 H ILE 571 H ILE 571 -14.487 0.374 1.353 296 HA ILE 571 HA ILE 571 -13.387 2.533 -0.340 297 HB ILE 571 HB ILE 571 -11.471 2.521 1.035 298 HG12 ILE 571 2HG1 ILE 571 -11.657 0.937 3.212 299 HG13 ILE 571 3HG1 ILE 571 -12.390 -0.146 2.031 300 HG21 ILE 571 1HG2 ILE 571 -13.819 2.125 2.913 301 HG22 ILE 571 2HG2 ILE 571 -12.401 3.173 3.134 302 HG23 ILE 571 3HG2 ILE 571 -13.618 3.565 1.894 303 HD11 ILE 571 3HD1 ILE 571 -9.972 -0.490 2.191 304 HD12 ILE 571 1HD1 ILE 571 -10.318 0.195 0.598 305 HD13 ILE 571 2HD1 ILE 571 -9.664 1.222 1.863 306 H ILE 572 H ILE 572 -13.529 -0.836 -0.537 307 HA ILE 572 HA ILE 572 -10.811 -1.142 -1.642 308 HB ILE 572 HB ILE 572 -12.927 -2.930 -0.514 309 HG12 ILE 572 2HG1 ILE 572 -11.520 -1.985 0.984 310 HG13 ILE 572 3HG1 ILE 572 -11.317 -3.736 0.951 311 HG21 ILE 572 1HG2 ILE 572 -11.868 -4.968 -1.122 312 HG22 ILE 572 2HG2 ILE 572 -12.228 -4.121 -2.631 313 HG23 ILE 572 3HG2 ILE 572 -10.565 -4.127 -2.004 314 HD11 ILE 572 3HD1 ILE 572 -9.302 -2.511 1.452 315 HD12 ILE 572 1HD1 ILE 572 -9.101 -3.430 -0.074 316 HD13 ILE 572 2HD1 ILE 572 -9.397 -1.648 -0.087 317 H ARG 573 H ARG 573 -10.311 -2.172 -3.513 318 HA ARG 573 HA ARG 573 -12.360 -2.429 -5.578 319 HB2 ARG 573 2HB ARG 573 -11.434 -0.108 -5.639 320 HB3 ARG 573 3HB ARG 573 -9.795 -0.748 -5.754 321 HG2 ARG 573 2HG ARG 573 -10.156 -1.484 -8.020 322 HG3 ARG 573 3HG ARG 573 -11.900 -1.226 -7.888 323 HD2 ARG 573 2HD ARG 573 -10.848 0.585 -9.159 324 HD3 ARG 573 3HD ARG 573 -11.621 1.156 -7.683 325 HE ARG 573 HE ARG 573 -8.658 0.729 -7.913 326 HH11 ARG 573 1HH1 ARG 573 -11.265 2.909 -6.825 327 HH12 ARG 573 2HH1 ARG 573 -10.072 4.106 -6.345 328 HH21 ARG 573 1HH2 ARG 573 -7.343 2.288 -7.268 329 HH22 ARG 573 2HH2 ARG 573 -7.963 3.758 -6.503 330 H GLU 574 H GLU 574 -11.595 -3.564 -7.486 331 HA GLU 574 HA GLU 574 -10.968 -6.091 -7.030 332 HB2 GLU 574 2HB GLU 574 -11.728 -5.127 -9.162 333 HB3 GLU 574 3HB GLU 574 -10.054 -4.726 -9.553 334 HG2 GLU 574 2HG GLU 574 -9.471 -7.153 -9.447 335 HG3 GLU 574 3HG GLU 574 -11.116 -7.536 -8.969 336 H GLY 575 H GLY 575 -9.464 -7.551 -6.599 337 HA2 GLY 575 2HA GLY 575 -6.615 -6.670 -6.495 338 HA3 GLY 575 3HA GLY 575 -7.402 -7.677 -5.273 339 H THR 576 H THR 576 -7.791 -7.806 -8.803 340 HA THR 576 HA THR 576 -6.976 -10.592 -8.957 341 HB THR 576 HB THR 576 -8.555 -9.686 -10.600 342 HG1 THR 576 1HG THR 576 -7.320 -10.567 -12.424 343 HG21 THR 576 1HG2 THR 576 -6.141 -8.269 -11.802 344 HG22 THR 576 2HG2 THR 576 -7.518 -7.469 -11.008 345 HG23 THR 576 3HG2 THR 576 -7.774 -8.383 -12.502 346 H ILE 577 H ILE 577 -5.172 -11.193 -10.462 347 HA ILE 577 HA ILE 577 -2.905 -10.590 -8.891 348 HB ILE 577 HB ILE 577 -3.216 -12.100 -11.514 349 HG12 ILE 577 2HG1 ILE 577 -2.530 -14.034 -10.105 350 HG13 ILE 577 3HG1 ILE 577 -2.465 -12.994 -8.688 351 HG21 ILE 577 1HG2 ILE 577 -0.993 -11.238 -11.732 352 HG22 ILE 577 2HG2 ILE 577 -0.626 -11.515 -10.026 353 HG23 ILE 577 3HG2 ILE 577 -0.821 -12.887 -11.141 354 HD11 ILE 577 3HD1 ILE 577 -4.869 -12.738 -8.697 355 HD12 ILE 577 1HD1 ILE 577 -4.996 -13.435 -10.335 356 HD13 ILE 577 2HD1 ILE 577 -4.528 -14.453 -8.967 357 H GLY 578 H GLY 578 -1.652 -8.801 -8.917 358 HA2 GLY 578 2HA GLY 578 0.018 -7.472 -9.956 359 HA3 GLY 578 3HA GLY 578 -0.802 -7.652 -11.510 360 H LYS 579 H LYS 579 -3.303 -6.997 -9.376 361 HA LYS 579 HA LYS 579 -3.236 -4.120 -9.838 362 HB2 LYS 579 2HB LYS 579 -5.247 -5.872 -8.380 363 HB3 LYS 579 3HB LYS 579 -5.312 -4.108 -8.358 364 HG2 LYS 579 2HG LYS 579 -5.228 -4.171 -10.905 365 HG3 LYS 579 3HG LYS 579 -5.544 -5.904 -10.804 366 HD2 LYS 579 2HD LYS 579 -7.779 -5.479 -9.821 367 HD3 LYS 579 3HD LYS 579 -7.339 -3.815 -9.505 368 HE2 LYS 579 2HE LYS 579 -8.774 -3.745 -11.378 369 HE3 LYS 579 3HE LYS 579 -7.148 -3.299 -11.892 370 HZ1 LYS 579 3HZ LYS 579 -6.921 -5.637 -12.723 371 HZ2 LYS 579 1HZ LYS 579 -8.053 -4.757 -13.491 372 HZ3 LYS 579 2HZ LYS 579 -8.542 -5.865 -12.379 373 H LYS 580 H LYS 580 -3.127 -2.487 -8.321 374 HA LYS 580 HA LYS 580 -0.725 -3.000 -6.809 375 HB2 LYS 580 2HB LYS 580 -0.357 -0.643 -6.965 376 HB3 LYS 580 3HB LYS 580 -0.993 -1.249 -8.476 377 HG2 LYS 580 2HG LYS 580 -3.321 -0.441 -7.636 378 HG3 LYS 580 3HG LYS 580 -2.428 0.446 -6.391 379 HD2 LYS 580 2HD LYS 580 -1.200 1.698 -8.076 380 HD3 LYS 580 3HD LYS 580 -1.829 0.657 -9.374 381 HE2 LYS 580 2HE LYS 580 -4.180 1.416 -8.588 382 HE3 LYS 580 3HE LYS 580 -3.333 2.734 -7.757 383 HZ1 LYS 580 3HZ LYS 580 -2.393 3.370 -9.946 384 HZ2 LYS 580 1HZ LYS 580 -4.034 3.330 -10.037 385 HZ3 LYS 580 2HZ LYS 580 -3.137 2.116 -10.664 386 H MET 581 H MET 581 -0.431 -1.048 -4.991 387 HA MET 581 HA MET 581 -1.831 -2.331 -2.695 388 HB2 MET 581 2HB MET 581 0.565 -2.762 -2.939 389 HB3 MET 581 3HB MET 581 0.919 -1.037 -2.890 390 HG2 MET 581 2HG MET 581 -0.514 -2.422 -0.600 391 HG3 MET 581 3HG MET 581 1.238 -2.503 -0.770 392 HE1 MET 581 3HE MET 581 -0.313 -1.476 1.777 393 HE2 MET 581 1HE MET 581 1.472 -1.498 1.753 394 HE3 MET 581 2HE MET 581 0.592 -0.031 2.250 395 H TYR 582 H TYR 582 -2.588 -1.155 -0.957 396 HA TYR 582 HA TYR 582 -2.831 1.787 -1.247 397 HB2 TYR 582 2HB TYR 582 -5.208 0.490 -0.107 398 HB3 TYR 582 3HB TYR 582 -5.075 1.809 -1.217 399 HD1 TYR 582 HD1 TYR 582 -5.382 -1.831 -0.803 400 HD2 TYR 582 HD2 TYR 582 -5.182 1.366 -3.690 401 HE1 TYR 582 HE1 TYR 582 -6.295 -3.354 -2.552 402 HE2 TYR 582 HE2 TYR 582 -6.082 -0.171 -5.445 403 HH TYR 582 HH TYR 582 -6.941 -2.285 -5.889 404 H PHE 583 H PHE 583 -3.239 2.933 0.705 405 HA PHE 583 HA PHE 583 -3.195 1.600 3.268 406 HB2 PHE 583 2HB PHE 583 -1.046 2.697 4.057 407 HB3 PHE 583 3HB PHE 583 -0.993 1.265 3.105 408 HD1 PHE 583 1HD PHE 583 -1.317 4.145 0.877 409 HD2 PHE 583 2HD PHE 583 1.426 1.906 3.310 410 HE1 PHE 583 1HE PHE 583 0.546 4.832 -0.587 411 HE2 PHE 583 2HE PHE 583 3.307 2.720 1.946 412 HZ PHE 583 HZ PHE 583 2.886 4.162 -0.029 413 H ILE 584 H ILE 584 -3.061 3.213 5.114 414 HA ILE 584 HA ILE 584 -5.161 5.184 4.436 415 HB ILE 584 HB ILE 584 -4.394 3.979 7.145 416 HG12 ILE 584 2HG1 ILE 584 -6.521 3.102 5.143 417 HG13 ILE 584 3HG1 ILE 584 -5.066 2.202 5.538 418 HG21 ILE 584 1HG2 ILE 584 -5.775 6.173 7.095 419 HG22 ILE 584 2HG2 ILE 584 -7.000 5.320 6.153 420 HG23 ILE 584 3HG2 ILE 584 -6.635 4.812 7.810 421 HD11 ILE 584 3HD1 ILE 584 -7.427 2.691 7.373 422 HD12 ILE 584 1HD1 ILE 584 -6.843 1.164 6.664 423 HD13 ILE 584 2HD1 ILE 584 -5.869 1.990 7.879 424 H GLN 585 H GLN 585 -4.481 7.303 4.075 425 HA GLN 585 HA GLN 585 -2.072 8.293 5.357 426 HB2 GLN 585 2HB GLN 585 -2.771 8.866 3.049 427 HB3 GLN 585 3HB GLN 585 -4.125 9.788 3.675 428 HG2 GLN 585 2HG GLN 585 -1.347 10.453 4.681 429 HG3 GLN 585 3HG GLN 585 -1.759 10.876 3.028 430 HE21 GLN 585 HE21 GLN 585 -2.215 11.859 6.393 431 HE22 GLN 585 HE22 GLN 585 -3.150 13.278 5.921 432 H HIS 586 H HIS 586 -5.564 9.162 5.679 433 HA HIS 586 HA HIS 586 -5.200 9.484 8.554 434 HB2 HIS 586 2HB HIS 586 -4.518 11.708 7.986 435 HB3 HIS 586 3HB HIS 586 -5.917 11.926 6.928 436 HD1 HIS 586 1HD HIS 586 -5.653 10.779 10.675 437 HD2 HIS 586 2HD HIS 586 -7.814 13.275 8.058 438 HE1 HIS 586 1HE HIS 586 -7.494 11.861 12.060 439 H GLY 587 H GLY 587 -6.936 8.423 9.420 440 HA2 GLY 587 2HA GLY 587 -9.357 9.454 9.740 441 HA3 GLY 587 3HA GLY 587 -9.629 8.584 8.231 442 H VAL 588 H VAL 588 -11.124 7.200 9.273 443 HA VAL 588 HA VAL 588 -9.881 4.916 10.646 444 HB VAL 588 HB VAL 588 -12.416 6.272 11.684 445 HG11 VAL 588 1HG1 VAL 588 -12.330 4.588 13.509 446 HG12 VAL 588 2HG1 VAL 588 -12.631 3.845 11.948 447 HG13 VAL 588 3HG1 VAL 588 -11.007 3.755 12.671 448 HG21 VAL 588 3HG2 VAL 588 -9.676 5.961 12.982 449 HG22 VAL 588 1HG2 VAL 588 -10.435 7.486 12.464 450 HG23 VAL 588 2HG2 VAL 588 -11.133 6.570 13.795 451 H VAL 589 H VAL 589 -10.845 2.947 10.104 452 HA VAL 589 HA VAL 589 -13.244 2.990 8.314 453 HB VAL 589 HB VAL 589 -12.310 1.207 6.960 454 HG11 VAL 589 1HG1 VAL 589 -10.761 2.516 5.660 455 HG12 VAL 589 2HG1 VAL 589 -11.956 3.625 6.337 456 HG13 VAL 589 3HG1 VAL 589 -10.334 3.520 7.058 457 HG21 VAL 589 3HG2 VAL 589 -9.922 0.565 7.127 458 HG22 VAL 589 1HG2 VAL 589 -9.742 1.590 8.558 459 HG23 VAL 589 2HG2 VAL 589 -10.798 0.160 8.593 460 H SER 590 H SER 590 -14.504 1.122 8.293 461 HA SER 590 HA SER 590 -14.342 -0.650 10.726 462 HB2 SER 590 2HB SER 590 -16.850 0.348 9.261 463 HB3 SER 590 3HB SER 590 -16.812 -0.754 10.648 464 HG SER 590 HG SER 590 -17.207 1.621 11.011 465 H VAL 591 H VAL 591 -14.276 -2.720 10.258 466 HA VAL 591 HA VAL 591 -13.902 -3.343 7.382 467 HB VAL 591 HB VAL 591 -11.950 -2.185 8.191 468 HG11 VAL 591 1HG1 VAL 591 -10.829 -2.918 10.383 469 HG12 VAL 591 2HG1 VAL 591 -12.382 -2.136 10.529 470 HG13 VAL 591 3HG1 VAL 591 -12.272 -3.951 10.613 471 HG21 VAL 591 3HG2 VAL 591 -11.323 -4.990 9.052 472 HG22 VAL 591 1HG2 VAL 591 -11.330 -4.468 7.305 473 HG23 VAL 591 2HG2 VAL 591 -10.223 -3.701 8.502 474 H LEU 592 H LEU 592 -13.814 -5.531 6.853 475 HA LEU 592 HA LEU 592 -13.730 -7.388 9.178 476 HB2 LEU 592 2HB LEU 592 -15.061 -7.738 6.433 477 HB3 LEU 592 3HB LEU 592 -14.708 -9.092 7.457 478 HG LEU 592 HG LEU 592 -17.092 -8.311 7.283 479 HD11 LEU 592 1HD1 LEU 592 -16.395 -9.940 8.905 480 HD12 LEU 592 2HD1 LEU 592 -17.565 -8.845 9.656 481 HD13 LEU 592 3HD1 LEU 592 -15.822 -8.675 9.990 482 HD21 LEU 592 3HD2 LEU 592 -17.962 -6.605 8.664 483 HD22 LEU 592 1HD2 LEU 592 -16.682 -5.863 7.687 484 HD23 LEU 592 2HD2 LEU 592 -16.397 -6.266 9.400 485 H THR 593 H THR 593 -11.815 -8.507 9.226 486 HA THR 593 HA THR 593 -10.237 -8.630 6.687 487 HB THR 593 HB THR 593 -8.608 -9.930 8.325 488 HG1 THR 593 1HG THR 593 -8.712 -8.987 10.347 489 HG21 THR 593 1HG2 THR 593 -7.605 -7.679 8.793 490 HG22 THR 593 2HG2 THR 593 -9.106 -6.921 8.183 491 HG23 THR 593 3HG2 THR 593 -8.074 -7.894 7.104 492 H LYS 594 H LYS 594 -9.776 -10.338 5.458 493 HA LYS 594 HA LYS 594 -11.478 -12.597 5.485 494 HB2 LYS 594 2HB LYS 594 -10.361 -13.405 3.668 495 HB3 LYS 594 3HB LYS 594 -10.069 -11.689 3.526 496 HG2 LYS 594 2HG LYS 594 -8.087 -13.761 4.601 497 HG3 LYS 594 3HG LYS 594 -8.132 -13.136 2.957 498 HD2 LYS 594 2HD LYS 594 -7.467 -10.951 3.613 499 HD3 LYS 594 3HD LYS 594 -7.740 -11.284 5.325 500 HE2 LYS 594 2HE LYS 594 -5.376 -11.223 4.785 501 HE3 LYS 594 3HE LYS 594 -5.868 -12.771 5.457 502 HZ1 LYS 594 3HZ LYS 594 -5.768 -12.536 2.525 503 HZ2 LYS 594 1HZ LYS 594 -5.416 -13.840 3.509 504 HZ3 LYS 594 2HZ LYS 594 -4.370 -12.577 3.368 505 H GLY 595 H GLY 595 -11.324 -14.682 6.179 506 HA2 GLY 595 2HA GLY 595 -10.598 -16.444 7.623 507 HA3 GLY 595 3HA GLY 595 -9.183 -15.457 8.073 508 H ASN 596 H ASN 596 -11.202 -13.156 8.602 509 HA ASN 596 HA ASN 596 -11.168 -13.891 11.485 510 HB2 ASN 596 2HB ASN 596 -10.115 -11.336 10.378 511 HB3 ASN 596 3HB ASN 596 -9.785 -12.087 11.892 512 HD21 ASN 596 HD21 ASN 596 -7.707 -11.042 10.446 513 HD22 ASN 596 HD22 ASN 596 -6.672 -12.420 10.115 514 H LYS 597 H LYS 597 -11.492 -11.035 12.173 515 HA LYS 597 HA LYS 597 -14.435 -11.252 12.192 516 HB2 LYS 597 2HB LYS 597 -12.519 -10.224 14.339 517 HB3 LYS 597 3HB LYS 597 -14.261 -10.173 14.472 518 HG2 LYS 597 2HG LYS 597 -13.526 -11.947 15.803 519 HG3 LYS 597 3HG LYS 597 -14.434 -12.598 14.453 520 HD2 LYS 597 2HD LYS 597 -12.438 -13.939 15.156 521 HD3 LYS 597 3HD LYS 597 -12.498 -13.536 13.455 522 HE2 LYS 597 2HE LYS 597 -10.231 -13.372 14.396 523 HE3 LYS 597 3HE LYS 597 -10.774 -11.865 13.677 524 HZ1 LYS 597 3HZ LYS 597 -10.896 -12.425 16.586 525 HZ2 LYS 597 1HZ LYS 597 -11.169 -10.973 15.892 526 HZ3 LYS 597 2HZ LYS 597 -9.655 -11.620 15.873 527 H GLU 598 H GLU 598 -15.613 -9.305 12.998 528 HA GLU 598 HA GLU 598 -14.978 -7.027 11.317 529 HB2 GLU 598 2HB GLU 598 -16.934 -5.979 12.138 530 HB3 GLU 598 3HB GLU 598 -17.285 -7.656 11.750 531 HG2 GLU 598 2HG GLU 598 -16.942 -8.081 14.325 532 HG3 GLU 598 3HG GLU 598 -17.136 -6.334 14.465 533 H MET 599 H MET 599 -13.802 -5.363 11.711 534 HA MET 599 HA MET 599 -12.950 -4.583 14.418 535 HB2 MET 599 2HB MET 599 -11.013 -4.587 12.165 536 HB3 MET 599 3HB MET 599 -10.710 -4.335 13.865 537 HG2 MET 599 2HG MET 599 -11.219 -6.678 14.343 538 HG3 MET 599 3HG MET 599 -11.585 -6.968 12.641 539 HE1 MET 599 3HE MET 599 -10.042 -6.516 10.737 540 HE2 MET 599 1HE MET 599 -9.086 -5.111 11.248 541 HE3 MET 599 2HE MET 599 -8.255 -6.612 10.799 542 H LYS 600 H LYS 600 -11.877 -2.450 14.431 543 HA LYS 600 HA LYS 600 -12.344 -0.871 12.032 544 HB2 LYS 600 2HB LYS 600 -11.982 -0.130 14.989 545 HB3 LYS 600 3HB LYS 600 -11.315 0.978 13.820 546 HG2 LYS 600 2HG LYS 600 -13.512 1.596 14.748 547 HG3 LYS 600 3HG LYS 600 -13.361 1.638 12.991 548 HD2 LYS 600 2HD LYS 600 -15.538 0.846 13.593 549 HD3 LYS 600 3HD LYS 600 -14.607 -0.429 12.804 550 HE2 LYS 600 2HE LYS 600 -14.154 -1.461 15.018 551 HE3 LYS 600 3HE LYS 600 -15.031 -0.153 15.819 552 HZ1 LYS 600 3HZ LYS 600 -16.408 -2.171 15.474 553 HZ2 LYS 600 1HZ LYS 600 -16.276 -1.997 13.840 554 HZ3 LYS 600 2HZ LYS 600 -17.033 -0.849 14.726 555 H LEU 601 H LEU 601 -10.697 0.421 11.332 556 HA LEU 601 HA LEU 601 -7.899 -0.260 12.115 557 HB2 LEU 601 2HB LEU 601 -9.083 -0.859 9.528 558 HB3 LEU 601 3HB LEU 601 -7.894 0.421 9.330 559 HG LEU 601 HG LEU 601 -6.210 -1.063 10.481 560 HD11 LEU 601 1HD1 LEU 601 -7.779 -2.605 11.625 561 HD12 LEU 601 2HD1 LEU 601 -6.764 -3.512 10.491 562 HD13 LEU 601 3HD1 LEU 601 -8.439 -3.105 10.055 563 HD21 LEU 601 3HD2 LEU 601 -5.870 -2.483 8.491 564 HD22 LEU 601 1HD2 LEU 601 -6.300 -0.831 8.032 565 HD23 LEU 601 2HD2 LEU 601 -7.519 -2.120 7.939 566 H SER 602 H SER 602 -6.418 1.465 11.920 567 HA SER 602 HA SER 602 -7.614 4.187 11.502 568 HB2 SER 602 2HB SER 602 -6.210 5.024 13.282 569 HB3 SER 602 3HB SER 602 -7.325 3.797 13.854 570 HG SER 602 HG SER 602 -4.661 3.061 13.159 571 H ASP 603 H ASP 603 -5.707 5.924 11.390 572 HA ASP 603 HA ASP 603 -4.463 5.252 8.882 573 HB2 ASP 603 2HB ASP 603 -3.679 7.480 8.731 574 HB3 ASP 603 3HB ASP 603 -5.373 7.398 9.188 575 H GLY 604 H GLY 604 -2.247 5.555 8.212 576 HA2 GLY 604 2HA GLY 604 0.011 4.935 8.420 577 HA3 GLY 604 3HA GLY 604 -0.233 4.639 10.142 578 H SER 605 H SER 605 -2.705 3.044 8.674 579 HA SER 605 HA SER 605 -1.319 0.428 8.721 580 HB2 SER 605 2HB SER 605 -4.210 1.253 8.838 581 HB3 SER 605 3HB SER 605 -3.672 -0.443 8.852 582 HG SER 605 HG SER 605 -2.929 -0.234 10.827 583 H TYR 606 H TYR 606 -2.038 -1.225 7.217 584 HA TYR 606 HA TYR 606 -2.029 -0.210 4.399 585 HB2 TYR 606 2HB TYR 606 -0.926 -2.773 5.582 586 HB3 TYR 606 3HB TYR 606 -0.827 -2.301 3.901 587 HD1 TYR 606 HD1 TYR 606 -0.010 0.771 5.302 588 HD2 TYR 606 HD2 TYR 606 1.471 -3.275 5.068 589 HE1 TYR 606 HE1 TYR 606 2.311 1.593 5.643 590 HE2 TYR 606 HE2 TYR 606 3.779 -2.441 5.450 591 HH TYR 606 HH TYR 606 4.560 1.035 5.711 592 H PHE 607 H PHE 607 -3.240 -1.250 2.788 593 HA PHE 607 HA PHE 607 -5.360 -3.141 3.707 594 HB2 PHE 607 2HB PHE 607 -5.205 -0.985 1.592 595 HB3 PHE 607 3HB PHE 607 -6.376 -2.277 1.444 596 HD1 PHE 607 2HD PHE 607 -7.658 -2.849 3.747 597 HD2 PHE 607 1HD PHE 607 -6.137 0.993 2.501 598 HE1 PHE 607 2HE PHE 607 -9.435 -1.742 5.023 599 HE2 PHE 607 1HE PHE 607 -7.958 2.103 3.775 600 HZ PHE 607 HZ PHE 607 -9.624 0.745 4.992 601 H GLY 608 H GLY 608 -6.140 -4.750 2.334 602 HA2 GLY 608 2HA GLY 608 -6.209 -6.187 0.547 603 HA3 GLY 608 3HA GLY 608 -4.872 -5.324 -0.208 604 H GLU 609 H GLU 609 -3.451 -6.945 -0.714 605 HA GLU 609 HA GLU 609 -2.211 -8.559 1.454 606 HB2 GLU 609 2HB GLU 609 -3.098 -9.840 -1.154 607 HB3 GLU 609 3HB GLU 609 -2.334 -10.619 0.235 608 HG2 GLU 609 2HG GLU 609 -4.377 -9.940 1.600 609 HG3 GLU 609 3HG GLU 609 -5.121 -9.457 0.069 610 H ILE 610 H ILE 610 -1.525 -6.315 -0.621 611 HA ILE 610 HA ILE 610 0.141 -5.571 -1.929 612 HB ILE 610 HB ILE 610 1.762 -7.735 -0.572 613 HG12 ILE 610 2HG1 ILE 610 1.836 -4.788 0.010 614 HG13 ILE 610 3HG1 ILE 610 0.647 -5.813 0.800 615 HG21 ILE 610 1HG2 ILE 610 2.989 -7.146 -2.570 616 HG22 ILE 610 2HG2 ILE 610 2.758 -5.405 -2.254 617 HG23 ILE 610 3HG2 ILE 610 3.769 -6.407 -1.196 618 HD11 ILE 610 3HD1 ILE 610 2.437 -7.248 1.718 619 HD12 ILE 610 1HD1 ILE 610 3.660 -6.177 1.006 620 HD13 ILE 610 2HD1 ILE 610 2.558 -5.560 2.249 621 H CYS 611 H CYS 611 0.761 -5.600 -3.989 622 HA CYS 611 HA CYS 611 1.822 -8.096 -5.084 623 HB2 CYS 611 2HB CYS 611 0.017 -6.237 -6.683 624 HB3 CYS 611 3HB CYS 611 1.211 -7.334 -7.405 625 HG CYS 611 HG CYS 611 -1.021 -8.429 -5.223 626 H LEU 612 H LEU 612 3.879 -7.690 -5.775 627 HA LEU 612 HA LEU 612 4.713 -5.155 -6.854 628 HB2 LEU 612 2HB LEU 612 4.722 -4.728 -4.339 629 HB3 LEU 612 3HB LEU 612 5.987 -5.916 -4.176 630 HG LEU 612 HG LEU 612 6.713 -3.558 -4.104 631 HD11 LEU 612 1HD1 LEU 612 7.942 -4.981 -6.496 632 HD12 LEU 612 2HD1 LEU 612 8.298 -5.351 -4.786 633 HD13 LEU 612 3HD1 LEU 612 8.675 -3.763 -5.451 634 HD21 LEU 612 3HD2 LEU 612 6.236 -3.412 -7.086 635 HD22 LEU 612 1HD2 LEU 612 6.743 -2.117 -5.997 636 HD23 LEU 612 2HD2 LEU 612 5.084 -2.751 -5.907 637 H LEU 613 H LEU 613 6.324 -7.804 -5.059 638 HA LEU 613 HA LEU 613 6.820 -9.078 -7.681 639 HB2 LEU 613 2HB LEU 613 8.825 -10.060 -7.162 640 HB3 LEU 613 3HB LEU 613 8.974 -8.344 -6.900 641 HG LEU 613 HG LEU 613 10.254 -9.578 -5.328 642 HD11 LEU 613 1HD1 LEU 613 7.940 -8.344 -3.853 643 HD12 LEU 613 2HD1 LEU 613 9.312 -7.468 -4.564 644 HD13 LEU 613 3HD1 LEU 613 9.573 -8.610 -3.227 645 HD21 LEU 613 3HD2 LEU 613 8.848 -11.643 -5.272 646 HD22 LEU 613 1HD2 LEU 613 7.816 -10.829 -4.067 647 HD23 LEU 613 2HD2 LEU 613 9.525 -11.116 -3.724 648 H THR 614 H THR 614 5.416 -9.313 -4.595 649 HA THR 614 HA THR 614 4.694 -12.138 -4.907 650 HB THR 614 HB THR 614 4.828 -10.652 -2.726 651 HG1 THR 614 1HG THR 614 4.186 -12.382 -1.907 652 HG21 THR 614 1HG2 THR 614 2.782 -9.979 -1.792 653 HG22 THR 614 2HG2 THR 614 1.844 -10.615 -3.153 654 HG23 THR 614 3HG2 THR 614 2.884 -9.191 -3.378 655 H ARG 615 H ARG 615 2.353 -12.751 -4.882 656 HA ARG 615 HA ARG 615 0.480 -11.054 -6.340 657 HB2 ARG 615 2HB ARG 615 0.233 -12.573 -8.295 658 HB3 ARG 615 3HB ARG 615 1.770 -11.714 -8.249 659 HG2 ARG 615 2HG ARG 615 2.871 -13.788 -7.358 660 HG3 ARG 615 3HG ARG 615 1.315 -14.636 -7.512 661 HD2 ARG 615 2HD ARG 615 1.310 -14.141 -9.946 662 HD3 ARG 615 3HD ARG 615 2.868 -13.304 -9.765 663 HE ARG 615 HE ARG 615 2.984 -15.990 -8.702 664 HH11 ARG 615 1HH1 ARG 615 3.274 -14.180 -11.703 665 HH12 ARG 615 2HH1 ARG 615 4.212 -15.427 -12.468 666 HH21 ARG 615 1HH2 ARG 615 3.971 -17.626 -9.819 667 HH22 ARG 615 2HH2 ARG 615 4.732 -17.274 -11.368 668 H GLY 616 H GLY 616 -1.618 -11.655 -6.257 669 HA2 GLY 616 2HA GLY 616 -2.694 -14.158 -6.475 670 HA3 GLY 616 3HA GLY 616 -2.509 -13.978 -4.737 671 H ARG 617 H ARG 617 -4.940 -14.336 -6.145 672 HA ARG 617 HA ARG 617 -6.685 -12.040 -6.342 673 HB2 ARG 617 2HB ARG 617 -7.139 -14.939 -5.468 674 HB3 ARG 617 3HB ARG 617 -8.445 -13.797 -5.679 675 HG2 ARG 617 2HG ARG 617 -6.593 -14.803 -7.862 676 HG3 ARG 617 3HG ARG 617 -8.269 -15.281 -7.552 677 HD2 ARG 617 2HD ARG 617 -9.013 -12.973 -8.009 678 HD3 ARG 617 3HD ARG 617 -7.335 -12.529 -8.412 679 HE ARG 617 HE ARG 617 -7.861 -14.711 -10.028 680 HH11 ARG 617 1HH1 ARG 617 -9.750 -11.745 -9.596 681 HH12 ARG 617 2HH1 ARG 617 -10.382 -11.856 -11.219 682 HH21 ARG 617 1HH2 ARG 617 -8.345 -14.422 -12.228 683 HH22 ARG 617 2HH2 ARG 617 -9.474 -13.197 -12.673 684 H ARG 618 H ARG 618 -7.237 -10.616 -4.969 685 HA ARG 618 HA ARG 618 -7.208 -11.186 -2.024 686 HB2 ARG 618 2HB ARG 618 -7.591 -8.484 -3.333 687 HB3 ARG 618 3HB ARG 618 -7.198 -8.842 -1.656 688 HG2 ARG 618 2HG ARG 618 -5.033 -9.873 -2.463 689 HG3 ARG 618 3HG ARG 618 -5.395 -9.255 -4.083 690 HD2 ARG 618 2HD ARG 618 -5.354 -7.479 -1.628 691 HD3 ARG 618 3HD ARG 618 -3.895 -7.821 -2.550 692 HE ARG 618 HE ARG 618 -6.275 -6.252 -3.477 693 HH11 ARG 618 1HH1 ARG 618 -3.147 -7.509 -4.479 694 HH12 ARG 618 2HH1 ARG 618 -2.867 -6.116 -5.512 695 HH21 ARG 618 1HH2 ARG 618 -5.803 -4.548 -4.801 696 HH22 ARG 618 2HH2 ARG 618 -4.167 -4.337 -5.327 697 H THR 619 H THR 619 -8.890 -10.911 -0.659 698 HA THR 619 HA THR 619 -11.445 -9.779 -1.673 699 HB THR 619 HB THR 619 -12.788 -11.365 -0.461 700 HG1 THR 619 1HG THR 619 -11.636 -12.020 1.177 701 HG21 THR 619 1HG2 THR 619 -12.096 -12.007 -2.798 702 HG22 THR 619 2HG2 THR 619 -12.484 -13.378 -1.747 703 HG23 THR 619 3HG2 THR 619 -10.791 -12.982 -2.106 704 H ALA 620 H ALA 620 -12.285 -8.234 -0.377 705 HA ALA 620 HA ALA 620 -11.622 -8.070 2.481 706 HB1 ALA 620 1HB ALA 620 -10.608 -5.793 2.231 707 HB2 ALA 620 2HB ALA 620 -9.618 -7.079 1.522 708 HB3 ALA 620 3HB ALA 620 -10.583 -6.030 0.471 709 H SER 621 H SER 621 -13.623 -7.850 3.238 710 HA SER 621 HA SER 621 -15.613 -6.023 2.008 711 HB2 SER 621 2HB SER 621 -16.307 -8.275 2.677 712 HB3 SER 621 3HB SER 621 -15.822 -7.943 4.346 713 HG SER 621 HG SER 621 -17.849 -6.659 2.794 714 H VAL 622 H VAL 622 -14.869 -3.916 2.455 715 HA VAL 622 HA VAL 622 -15.053 -3.087 5.300 716 HB VAL 622 HB VAL 622 -12.800 -3.711 5.372 717 HG11 VAL 622 1HG1 VAL 622 -12.265 -4.201 3.122 718 HG12 VAL 622 2HG1 VAL 622 -12.550 -2.512 2.661 719 HG13 VAL 622 3HG1 VAL 622 -11.121 -2.957 3.636 720 HG21 VAL 622 3HG2 VAL 622 -13.191 -1.322 6.120 721 HG22 VAL 622 1HG2 VAL 622 -11.538 -1.727 5.662 722 HG23 VAL 622 2HG2 VAL 622 -12.558 -0.821 4.522 723 H ARG 623 H ARG 623 -15.509 -1.041 5.727 724 HA ARG 623 HA ARG 623 -15.850 0.913 3.519 725 HB2 ARG 623 2HB ARG 623 -18.037 1.487 4.127 726 HB3 ARG 623 3HB ARG 623 -18.041 -0.250 3.909 727 HG2 ARG 623 2HG ARG 623 -17.841 1.117 6.638 728 HG3 ARG 623 3HG ARG 623 -19.360 0.751 5.855 729 HD2 ARG 623 2HD ARG 623 -17.309 -1.385 6.510 730 HD3 ARG 623 3HD ARG 623 -18.579 -0.901 7.622 731 HE ARG 623 HE ARG 623 -19.929 -1.516 5.272 732 HH11 ARG 623 1HH1 ARG 623 -18.110 -3.353 7.735 733 HH12 ARG 623 2HH1 ARG 623 -18.543 -4.852 6.929 734 HH21 ARG 623 1HH2 ARG 623 -20.477 -3.590 4.501 735 HH22 ARG 623 2HH2 ARG 623 -19.843 -4.969 5.386 736 H ALA 624 H ALA 624 -16.125 3.163 4.267 737 HA ALA 624 HA ALA 624 -14.264 3.668 6.462 738 HB1 ALA 624 1HB ALA 624 -15.877 5.720 4.947 739 HB2 ALA 624 2HB ALA 624 -14.334 5.919 5.814 740 HB3 ALA 624 3HB ALA 624 -14.388 4.985 4.317 741 H ASP 625 H ASP 625 -14.650 4.564 8.504 742 HA ASP 625 HA ASP 625 -17.347 4.349 9.684 743 HB2 ASP 625 2HB ASP 625 -15.127 3.903 10.895 744 HB3 ASP 625 3HB ASP 625 -14.765 5.562 10.761 745 H THR 626 H THR 626 -15.440 6.625 8.101 746 HA THR 626 HA THR 626 -16.854 9.131 8.800 747 HB THR 626 HB THR 626 -15.468 8.658 10.738 748 HG1 THR 626 1HG THR 626 -14.156 10.408 10.734 749 HG21 THR 626 1HG2 THR 626 -13.112 8.407 8.822 750 HG22 THR 626 2HG2 THR 626 -13.801 7.134 9.856 751 HG23 THR 626 3HG2 THR 626 -12.995 8.513 10.594 752 H TYR 627 H TYR 627 -15.231 10.984 7.802 753 HA TYR 627 HA TYR 627 -14.530 10.276 5.035 754 HB2 TYR 627 2HB TYR 627 -15.173 12.429 5.021 755 HB3 TYR 627 3HB TYR 627 -14.713 12.711 6.669 756 HD1 TYR 627 HD2 TYR 627 -12.388 13.313 7.302 757 HD2 TYR 627 HD1 TYR 627 -13.693 13.062 3.205 758 HE1 TYR 627 HE2 TYR 627 -10.453 14.713 6.612 759 HE2 TYR 627 HE1 TYR 627 -11.730 14.454 2.501 760 HH TYR 627 HH TYR 627 -9.415 15.783 4.911 761 H CYS 628 H CYS 628 -12.727 9.375 4.414 762 HA CYS 628 HA CYS 628 -10.316 9.378 6.178 763 HB2 CYS 628 2HB CYS 628 -11.849 7.310 6.348 764 HB3 CYS 628 3HB CYS 628 -11.336 6.938 4.686 765 HG CYS 628 HG CYS 628 -10.002 5.449 6.333 766 H ARG 629 H ARG 629 -8.577 10.031 5.180 767 HA ARG 629 HA ARG 629 -8.300 10.159 2.217 768 HB2 ARG 629 2HB ARG 629 -6.521 10.998 4.561 769 HB3 ARG 629 3HB ARG 629 -6.038 11.138 2.880 770 HG2 ARG 629 2HG ARG 629 -8.668 12.403 3.477 771 HG3 ARG 629 3HG ARG 629 -7.324 13.084 4.391 772 HD2 ARG 629 2HD ARG 629 -7.263 12.723 1.371 773 HD3 ARG 629 3HD ARG 629 -7.839 14.188 2.169 774 HE ARG 629 HE ARG 629 -5.118 13.239 2.905 775 HH11 ARG 629 1HH1 ARG 629 -6.843 15.571 0.850 776 HH12 ARG 629 2HH1 ARG 629 -5.390 16.534 0.714 777 HH21 ARG 629 1HH2 ARG 629 -3.414 14.510 2.618 778 HH22 ARG 629 2HH2 ARG 629 -3.532 15.917 1.569 779 H LEU 630 H LEU 630 -7.694 8.445 1.198 780 HA LEU 630 HA LEU 630 -5.760 6.508 2.406 781 HB2 LEU 630 2HB LEU 630 -7.662 6.069 0.076 782 HB3 LEU 630 3HB LEU 630 -6.506 4.916 0.733 783 HG LEU 630 HG LEU 630 -9.070 5.923 2.025 784 HD11 LEU 630 1HD1 LEU 630 -9.181 4.021 0.427 785 HD12 LEU 630 2HD1 LEU 630 -9.560 3.515 2.078 786 HD13 LEU 630 3HD1 LEU 630 -7.954 3.154 1.372 787 HD21 LEU 630 3HD2 LEU 630 -7.446 5.869 3.846 788 HD22 LEU 630 1HD2 LEU 630 -6.851 4.283 3.289 789 HD23 LEU 630 2HD2 LEU 630 -8.494 4.460 3.966 790 H TYR 631 H TYR 631 -4.167 5.670 0.961 791 HA TYR 631 HA TYR 631 -3.552 7.332 -1.368 792 HB2 TYR 631 2HB TYR 631 -1.347 7.837 -0.781 793 HB3 TYR 631 3HB TYR 631 -2.408 8.467 0.409 794 HD1 TYR 631 HD2 TYR 631 -2.699 6.427 2.462 795 HD2 TYR 631 HD1 TYR 631 0.725 7.591 0.153 796 HE1 TYR 631 HE2 TYR 631 -1.208 5.705 4.318 797 HE2 TYR 631 HE1 TYR 631 2.221 6.938 2.041 798 HH TYR 631 HH TYR 631 0.915 5.475 5.027 799 H SER 632 H SER 632 -2.103 6.304 -2.884 800 HA SER 632 HA SER 632 -1.555 3.423 -2.371 801 HB2 SER 632 2HB SER 632 -2.546 2.755 -4.524 802 HB3 SER 632 3HB SER 632 -3.756 3.486 -3.456 803 HG SER 632 HG SER 632 -3.710 5.328 -4.630 804 H LEU 633 H LEU 633 -0.183 2.324 -3.831 805 HA LEU 633 HA LEU 633 1.825 4.087 -5.175 806 HB2 LEU 633 2HB LEU 633 2.241 3.297 -2.727 807 HB3 LEU 633 3HB LEU 633 2.627 1.743 -3.452 808 HG LEU 633 HG LEU 633 3.950 4.417 -4.144 809 HD11 LEU 633 1HD1 LEU 633 4.391 3.712 -1.817 810 HD12 LEU 633 2HD1 LEU 633 5.847 3.612 -2.806 811 HD13 LEU 633 3HD1 LEU 633 4.956 2.129 -2.398 812 HD21 LEU 633 3HD2 LEU 633 4.676 1.555 -4.919 813 HD22 LEU 633 1HD2 LEU 633 5.776 2.939 -5.087 814 HD23 LEU 633 2HD2 LEU 633 4.286 2.907 -6.010 815 H SER 634 H SER 634 2.112 3.527 -7.241 816 HA SER 634 HA SER 634 1.243 0.937 -8.251 817 HB2 SER 634 2HB SER 634 1.816 1.876 -10.461 818 HB3 SER 634 3HB SER 634 0.653 2.828 -9.534 819 HG SER 634 HG SER 634 2.534 3.876 -10.702 820 H VAL 635 H VAL 635 2.378 -0.785 -8.808 821 HA VAL 635 HA VAL 635 5.239 -0.994 -8.309 822 HB VAL 635 HB VAL 635 4.304 -2.960 -7.868 823 HG11 VAL 635 1HG1 VAL 635 2.801 -4.234 -9.121 824 HG12 VAL 635 2HG1 VAL 635 2.181 -2.686 -8.549 825 HG13 VAL 635 3HG1 VAL 635 2.636 -2.877 -10.295 826 HG21 VAL 635 3HG2 VAL 635 5.092 -3.464 -10.761 827 HG22 VAL 635 1HG2 VAL 635 6.244 -3.335 -9.405 828 HG23 VAL 635 2HG2 VAL 635 5.061 -4.647 -9.440 829 H ASP 636 H ASP 636 3.227 -0.295 -11.084 830 HA ASP 636 HA ASP 636 5.131 -0.617 -13.150 831 HB2 ASP 636 2HB ASP 636 3.124 1.651 -12.918 832 HB3 ASP 636 3HB ASP 636 3.774 0.961 -14.408 833 H ASN 637 H ASN 637 4.800 1.957 -10.720 834 HA ASN 637 HA ASN 637 6.973 3.548 -11.916 835 HB2 ASN 637 2HB ASN 637 4.889 4.556 -10.798 836 HB3 ASN 637 3HB ASN 637 5.596 4.060 -9.253 837 HD21 ASN 637 HD22 ASN 637 6.259 5.822 -12.258 838 HD22 ASN 637 HD21 ASN 637 7.340 7.033 -11.523 839 H PHE 638 H PHE 638 6.462 1.393 -9.076 840 HA PHE 638 HA PHE 638 8.949 1.546 -7.798 841 HB2 PHE 638 2HB PHE 638 6.979 0.090 -7.266 842 HB3 PHE 638 3HB PHE 638 7.639 -1.080 -8.410 843 HD1 PHE 638 1HD PHE 638 10.044 -1.954 -8.014 844 HD2 PHE 638 2HD PHE 638 7.816 0.276 -5.067 845 HE1 PHE 638 1HE PHE 638 11.531 -2.804 -6.240 846 HE2 PHE 638 2HE PHE 638 9.278 -0.628 -3.283 847 HZ PHE 638 HZ PHE 638 11.154 -2.147 -3.858 848 H ASN 639 H ASN 639 8.164 -0.270 -10.779 849 HA ASN 639 HA ASN 639 10.790 -1.292 -11.334 850 HB2 ASN 639 2HB ASN 639 8.240 -0.891 -12.957 851 HB3 ASN 639 3HB ASN 639 9.695 -1.542 -13.687 852 HD21 ASN 639 HD21 ASN 639 7.126 -2.359 -11.412 853 HD22 ASN 639 HD22 ASN 639 7.672 -4.027 -11.316 854 H GLU 640 H GLU 640 9.531 1.933 -11.844 855 HA GLU 640 HA GLU 640 11.534 2.689 -13.885 856 HB2 GLU 640 2HB GLU 640 9.248 4.078 -12.453 857 HB3 GLU 640 3HB GLU 640 10.474 5.025 -13.205 858 HG2 GLU 640 2HG GLU 640 8.783 2.866 -14.572 859 HG3 GLU 640 3HG GLU 640 8.427 4.589 -14.608 860 H VAL 641 H VAL 641 10.834 3.546 -10.440 861 HA VAL 641 HA VAL 641 13.287 5.098 -10.222 862 HB VAL 641 HB VAL 641 11.584 5.777 -8.916 863 HG11 VAL 641 1HG1 VAL 641 11.155 2.993 -7.885 864 HG12 VAL 641 2HG1 VAL 641 10.520 4.441 -7.055 865 HG13 VAL 641 3HG1 VAL 641 10.044 4.119 -8.718 866 HG21 VAL 641 3HG2 VAL 641 12.377 5.885 -6.669 867 HG22 VAL 641 1HG2 VAL 641 13.231 4.352 -6.830 868 HG23 VAL 641 2HG2 VAL 641 13.804 5.791 -7.720 869 H LEU 642 H LEU 642 12.555 1.762 -9.738 870 HA LEU 642 HA LEU 642 14.984 0.872 -8.577 871 HB2 LEU 642 2HB LEU 642 12.905 -0.337 -10.372 872 HB3 LEU 642 3HB LEU 642 14.472 -1.088 -10.481 873 HG LEU 642 HG LEU 642 12.816 -0.860 -7.943 874 HD11 LEU 642 1HD1 LEU 642 13.780 -3.230 -9.625 875 HD12 LEU 642 2HD1 LEU 642 12.123 -2.588 -9.600 876 HD13 LEU 642 3HD1 LEU 642 12.804 -3.330 -8.150 877 HD21 LEU 642 3HD2 LEU 642 15.094 -0.685 -7.214 878 HD22 LEU 642 1HD2 LEU 642 15.650 -1.833 -8.442 879 HD23 LEU 642 2HD2 LEU 642 14.680 -2.392 -7.049 880 H GLU 643 H GLU 643 14.640 2.145 -11.869 881 HA GLU 643 HA GLU 643 16.896 1.003 -13.113 882 HB2 GLU 643 2HB GLU 643 15.743 3.807 -13.248 883 HB3 GLU 643 3HB GLU 643 16.890 3.165 -14.411 884 HG2 GLU 643 2HG GLU 643 14.309 1.641 -13.879 885 HG3 GLU 643 3HG GLU 643 14.272 3.083 -14.839 886 H GLU 644 H GLU 644 16.760 3.612 -10.719 887 HA GLU 644 HA GLU 644 19.382 4.686 -11.167 888 HB2 GLU 644 2HB GLU 644 17.251 4.926 -9.062 889 HB3 GLU 644 3HB GLU 644 18.685 5.948 -9.126 890 HG2 GLU 644 2HG GLU 644 16.655 5.661 -11.429 891 HG3 GLU 644 3HG GLU 644 16.512 6.796 -10.130 892 H TYR 645 H TYR 645 18.202 2.049 -9.335 893 HA TYR 645 HA TYR 645 20.617 1.846 -7.611 894 HB2 TYR 645 2HB TYR 645 17.762 1.380 -6.727 895 HB3 TYR 645 3HB TYR 645 19.211 1.210 -5.737 896 HD1 TYR 645 HD2 TYR 645 20.535 3.246 -5.061 897 HD2 TYR 645 HD1 TYR 645 16.851 3.543 -7.273 898 HE1 TYR 645 HE2 TYR 645 20.479 5.691 -4.643 899 HE2 TYR 645 HE1 TYR 645 16.775 5.995 -6.821 900 HH TYR 645 HH TYR 645 19.453 7.676 -5.153 901 HA PRO 646 HA PRO 646 19.933 -2.100 -10.056 902 HB2 PRO 646 2HB PRO 646 22.650 -2.646 -10.390 903 HB3 PRO 646 3HB PRO 646 21.611 -1.733 -11.525 904 HG2 PRO 646 2HG PRO 646 23.422 -0.627 -9.357 905 HG3 PRO 646 3HG PRO 646 23.286 -0.102 -11.068 906 HD2 PRO 646 2HD PRO 646 21.997 1.259 -9.158 907 HD3 PRO 646 3HD PRO 646 21.142 0.882 -10.678 908 H MET 647 H MET 647 21.947 -1.420 -7.155 909 HA MET 647 HA MET 647 22.354 -4.019 -6.103 910 HB2 MET 647 2HB MET 647 23.151 -2.117 -4.861 911 HB3 MET 647 3HB MET 647 21.548 -1.374 -4.845 912 HG2 MET 647 2HG MET 647 20.720 -3.236 -3.350 913 HG3 MET 647 3HG MET 647 22.388 -3.853 -3.299 914 HE1 MET 647 3HE MET 647 20.519 -0.153 -1.310 915 HE2 MET 647 1HE MET 647 20.390 -0.492 -3.050 916 HE3 MET 647 2HE MET 647 19.672 -1.615 -1.874 917 H MET 648 H MET 648 19.428 -2.000 -6.070 918 HA MET 648 HA MET 648 18.028 -3.932 -4.397 919 HB2 MET 648 2HB MET 648 17.958 -1.332 -4.301 920 HB3 MET 648 3HB MET 648 16.836 -1.449 -5.662 921 HG2 MET 648 2HG MET 648 15.618 -1.348 -3.569 922 HG3 MET 648 3HG MET 648 15.417 -2.954 -4.290 923 HE1 MET 648 3HE MET 648 15.845 -5.133 -1.405 924 HE2 MET 648 1HE MET 648 14.519 -4.083 -1.958 925 HE3 MET 648 2HE MET 648 15.513 -4.958 -3.138 926 H ARG 649 H ARG 649 18.222 -3.149 -7.814 927 HA ARG 649 HA ARG 649 15.945 -4.705 -8.665 928 HB2 ARG 649 2HB ARG 649 17.275 -2.974 -9.982 929 HB3 ARG 649 3HB ARG 649 18.496 -4.207 -10.267 930 HG2 ARG 649 2HG ARG 649 15.558 -4.639 -10.967 931 HG3 ARG 649 3HG ARG 649 16.637 -3.753 -12.038 932 HD2 ARG 649 2HD ARG 649 18.121 -5.670 -12.256 933 HD3 ARG 649 3HD ARG 649 17.116 -6.625 -11.157 934 HE ARG 649 HE ARG 649 15.264 -5.965 -12.974 935 HH11 ARG 649 1HH1 ARG 649 18.517 -7.262 -13.589 936 HH12 ARG 649 2HH1 ARG 649 17.961 -7.940 -15.110 937 HH21 ARG 649 1HH2 ARG 649 14.780 -6.763 -14.976 938 HH22 ARG 649 2HH2 ARG 649 16.042 -7.453 -15.954 939 H ARG 650 H ARG 650 19.438 -5.631 -8.358 940 HA ARG 650 HA ARG 650 18.908 -8.414 -8.909 941 HB2 ARG 650 2HB ARG 650 21.084 -8.926 -7.983 942 HB3 ARG 650 3HB ARG 650 21.134 -7.648 -9.202 943 HG2 ARG 650 2HG ARG 650 21.513 -5.969 -7.478 944 HG3 ARG 650 3HG ARG 650 21.255 -7.170 -6.192 945 HD2 ARG 650 2HD ARG 650 23.190 -8.404 -6.830 946 HD3 ARG 650 3HD ARG 650 23.440 -7.423 -8.277 947 HE ARG 650 HE ARG 650 24.166 -6.764 -5.514 948 HH11 ARG 650 1HH1 ARG 650 23.742 -5.311 -8.739 949 HH12 ARG 650 2HH1 ARG 650 24.779 -3.966 -8.301 950 HH21 ARG 650 1HH2 ARG 650 25.499 -5.118 -5.161 951 HH22 ARG 650 2HH2 ARG 650 25.694 -3.816 -6.324 952 H ALA 651 H ALA 651 19.003 -6.713 -5.819 953 HA ALA 651 HA ALA 651 18.612 -8.826 -4.064 954 HB1 ALA 651 1HB ALA 651 17.286 -6.086 -3.975 955 HB2 ALA 651 2HB ALA 651 17.573 -7.140 -2.582 956 HB3 ALA 651 3HB ALA 651 18.952 -6.420 -3.431 957 H PHE 652 H PHE 652 16.153 -7.417 -6.229 958 HA PHE 652 HA PHE 652 14.066 -9.236 -5.158 959 HB2 PHE 652 2HB PHE 652 14.136 -7.079 -7.271 960 HB3 PHE 652 3HB PHE 652 12.711 -8.094 -6.999 961 HD1 PHE 652 2HD PHE 652 12.185 -8.222 -4.215 962 HD2 PHE 652 1HD PHE 652 13.900 -4.955 -6.432 963 HE1 PHE 652 2HE PHE 652 11.370 -6.628 -2.493 964 HE2 PHE 652 1HE PHE 652 13.135 -3.368 -4.681 965 HZ PHE 652 HZ PHE 652 11.810 -4.182 -2.746 966 H GLU 653 H GLU 653 16.260 -9.099 -7.999 967 HA GLU 653 HA GLU 653 15.021 -11.231 -9.480 968 HB2 GLU 653 2HB GLU 653 17.951 -10.438 -9.205 969 HB3 GLU 653 3HB GLU 653 17.382 -11.633 -10.335 970 HG2 GLU 653 2HG GLU 653 16.604 -8.706 -10.332 971 HG3 GLU 653 3HG GLU 653 17.771 -9.461 -11.410 972 H THR 654 H THR 654 17.087 -11.335 -6.605 973 HA THR 654 HA THR 654 17.822 -14.123 -6.887 974 HB THR 654 HB THR 654 19.242 -12.541 -5.761 975 HG1 THR 654 1HG THR 654 19.790 -13.762 -4.072 976 HG21 THR 654 1HG2 THR 654 18.752 -11.817 -3.435 977 HG22 THR 654 2HG2 THR 654 17.071 -12.364 -3.653 978 HG23 THR 654 3HG2 THR 654 17.741 -11.079 -4.678 979 H VAL 655 H VAL 655 15.217 -12.474 -5.315 980 HA VAL 655 HA VAL 655 14.125 -14.898 -4.046 981 HB VAL 655 HB VAL 655 14.028 -12.822 -2.846 982 HG11 VAL 655 1HG1 VAL 655 12.685 -10.936 -3.443 983 HG12 VAL 655 2HG1 VAL 655 14.057 -11.235 -4.520 984 HG13 VAL 655 3HG1 VAL 655 12.384 -11.642 -5.041 985 HG21 VAL 655 3HG2 VAL 655 11.219 -13.650 -3.689 986 HG22 VAL 655 1HG2 VAL 655 12.204 -14.516 -2.512 987 HG23 VAL 655 2HG2 VAL 655 11.687 -12.856 -2.177 988 H ALA 656 H ALA 656 13.425 -12.786 -6.816 989 HA ALA 656 HA ALA 656 10.972 -13.928 -7.610 990 HB1 ALA 656 1HB ALA 656 11.894 -11.866 -8.563 991 HB2 ALA 656 2HB ALA 656 13.200 -12.793 -9.342 992 HB3 ALA 656 3HB ALA 656 11.513 -13.030 -9.845 993 H ILE 657 H ILE 657 14.263 -15.220 -8.247 994 HA ILE 657 HA ILE 657 13.163 -17.509 -9.686 995 HB ILE 657 HB ILE 657 15.348 -16.687 -10.220 996 HG12 ILE 657 2HG1 ILE 657 15.527 -19.527 -9.139 997 HG13 ILE 657 3HG1 ILE 657 14.593 -19.075 -10.567 998 HG21 ILE 657 1HG2 ILE 657 16.152 -16.022 -7.970 999 HG22 ILE 657 2HG2 ILE 657 16.323 -17.741 -7.534 1000 HG23 ILE 657 3HG2 ILE 657 17.310 -17.028 -8.822 1001 HD11 ILE 657 3HD1 ILE 657 17.601 -18.765 -10.271 1002 HD12 ILE 657 1HD1 ILE 657 16.731 -19.937 -11.275 1003 HD13 ILE 657 2HD1 ILE 657 16.638 -18.208 -11.659 1004 H ASP 658 H ASP 658 14.273 -17.027 -6.291 1005 HA ASP 658 HA ASP 658 13.989 -19.805 -5.636 1006 HB2 ASP 658 2HB ASP 658 15.520 -18.189 -4.539 1007 HB3 ASP 658 3HB ASP 658 14.140 -17.408 -3.769 1008 H ARG 659 H ARG 659 11.726 -17.067 -5.151 1009 HA ARG 659 HA ARG 659 9.949 -18.513 -3.461 1010 HB2 ARG 659 2HB ARG 659 9.007 -16.498 -3.207 1011 HB3 ARG 659 3HB ARG 659 10.489 -15.961 -3.829 1012 HG2 ARG 659 2HG ARG 659 9.563 -15.591 -6.061 1013 HG3 ARG 659 3HG ARG 659 8.018 -16.318 -5.595 1014 HD2 ARG 659 2HD ARG 659 9.192 -13.862 -4.242 1015 HD3 ARG 659 3HD ARG 659 8.034 -13.799 -5.568 1016 HE ARG 659 HE ARG 659 7.514 -14.649 -2.773 1017 HH11 ARG 659 1HH1 ARG 659 6.065 -14.488 -6.035 1018 HH12 ARG 659 2HH1 ARG 659 4.492 -14.819 -5.324 1019 HH21 ARG 659 1HH2 ARG 659 5.520 -15.101 -2.138 1020 HH22 ARG 659 2HH2 ARG 659 4.162 -14.963 -3.290 1021 H LEU 660 H LEU 660 10.354 -18.644 -6.812 1022 HA LEU 660 HA LEU 660 7.909 -20.333 -7.172 1023 HB2 LEU 660 2HB LEU 660 9.907 -19.006 -9.039 1024 HB3 LEU 660 3HB LEU 660 9.046 -20.429 -9.572 1025 HG LEU 660 HG LEU 660 7.979 -18.478 -10.423 1026 HD11 LEU 660 1HD1 LEU 660 6.161 -19.556 -8.233 1027 HD12 LEU 660 2HD1 LEU 660 6.592 -20.471 -9.695 1028 HD13 LEU 660 3HD1 LEU 660 5.724 -18.945 -9.834 1029 HD21 LEU 660 3HD2 LEU 660 7.415 -17.584 -7.574 1030 HD22 LEU 660 1HD2 LEU 660 6.941 -16.764 -9.073 1031 HD23 LEU 660 2HD2 LEU 660 8.655 -16.880 -8.634 1032 H ASP 661 H ASP 661 11.312 -20.400 -6.721 1033 HA ASP 661 HA ASP 661 12.940 -21.843 -6.608 1034 HB2 ASP 661 2HB ASP 661 11.072 -22.888 -5.075 1035 HB3 ASP 661 3HB ASP 661 11.176 -24.226 -6.219 1036 H ARG 662 H ARG 662 13.840 -24.048 -7.496 1037 HA ARG 662 HA ARG 662 14.069 -23.484 -10.309 1038 HB2 ARG 662 2HB ARG 662 15.163 -25.864 -8.750 1039 HB3 ARG 662 3HB ARG 662 15.712 -25.309 -10.332 1040 HG2 ARG 662 2HG ARG 662 15.980 -23.815 -7.683 1041 HG3 ARG 662 3HG ARG 662 17.261 -24.598 -8.596 1042 HD2 ARG 662 2HD ARG 662 16.887 -22.997 -10.476 1043 HD3 ARG 662 3HD ARG 662 15.632 -22.199 -9.531 1044 HE ARG 662 HE ARG 662 17.274 -21.468 -7.912 1045 HH11 ARG 662 1HH1 ARG 662 18.907 -22.799 -10.724 1046 HH12 ARG 662 2HH1 ARG 662 20.155 -21.595 -10.662 1047 HH21 ARG 662 1HH2 ARG 662 18.851 -20.131 -7.803 1048 HH22 ARG 662 2HH2 ARG 662 20.071 -19.997 -9.074 1049 H ILE 663 H ILE 663 12.606 -26.263 -8.658 1050 HA ILE 663 HA ILE 663 11.140 -27.851 -9.244 1051 HB ILE 663 HB ILE 663 10.271 -26.044 -11.505 1052 HG12 ILE 663 2HG1 ILE 663 10.212 -24.620 -9.603 1053 HG13 ILE 663 3HG1 ILE 663 8.597 -25.070 -10.064 1054 HG21 ILE 663 1HG2 ILE 663 8.012 -27.078 -11.058 1055 HG22 ILE 663 2HG2 ILE 663 9.207 -28.185 -11.722 1056 HG23 ILE 663 3HG2 ILE 663 8.827 -28.240 -9.989 1057 HD11 ILE 663 3HD1 ILE 663 10.188 -26.135 -7.715 1058 HD12 ILE 663 1HD1 ILE 663 8.752 -25.101 -7.654 1059 HD13 ILE 663 2HD1 ILE 663 8.596 -26.778 -8.199 1060 H GLY 664 H GLY 664 13.078 -26.781 -11.967 1061 HA2 GLY 664 2HA GLY 664 13.964 -28.005 -13.784 1062 HA3 GLY 664 3HA GLY 664 13.013 -29.421 -13.319 1063 H LYS 665 H LYS 665 11.347 -26.326 -13.389 1064 HA LYS 665 HA LYS 665 9.363 -27.355 -15.134 1065 HB2 LYS 665 2HB LYS 665 8.164 -25.442 -14.856 1066 HB3 LYS 665 3HB LYS 665 9.084 -25.494 -13.375 1067 HG2 LYS 665 2HG LYS 665 9.703 -23.753 -15.807 1068 HG3 LYS 665 3HG LYS 665 8.802 -23.226 -14.412 1069 HD2 LYS 665 2HD LYS 665 11.678 -24.177 -14.118 1070 HD3 LYS 665 3HD LYS 665 11.259 -22.539 -14.634 1071 HE2 LYS 665 2HE LYS 665 9.800 -22.363 -12.543 1072 HE3 LYS 665 3HE LYS 665 10.587 -23.846 -11.980 1073 HZ1 LYS 665 3HZ LYS 665 12.745 -22.638 -12.255 1074 HZ2 LYS 665 1HZ LYS 665 11.763 -21.912 -11.149 1075 HZ3 LYS 665 2HZ LYS 665 11.923 -21.274 -12.635 1076 H LYS 666 H LYS 666 8.717 -26.932 -17.256 1077 HA LYS 666 HA LYS 666 10.837 -26.700 -19.184 1078 HB2 LYS 666 2HB LYS 666 8.725 -27.969 -19.549 1079 HB3 LYS 666 3HB LYS 666 7.829 -26.442 -19.591 1080 HG2 LYS 666 2HG LYS 666 9.257 -25.739 -21.566 1081 HG3 LYS 666 3HG LYS 666 10.008 -27.344 -21.536 1082 HD2 LYS 666 2HD LYS 666 7.771 -28.374 -21.929 1083 HD3 LYS 666 3HD LYS 666 7.038 -26.754 -21.925 1084 HE2 LYS 666 2HE LYS 666 8.583 -26.138 -23.845 1085 HE3 LYS 666 3HE LYS 666 9.098 -27.832 -23.900 1086 HZ1 LYS 666 3HZ LYS 666 6.780 -28.441 -24.326 1087 HZ2 LYS 666 1HZ LYS 666 7.273 -27.378 -25.482 1088 HZ3 LYS 666 2HZ LYS 666 6.310 -26.872 -24.263 1089 H ASN 667 H ASN 667 11.829 -24.971 -19.935 1090 HA ASN 667 HA ASN 667 11.000 -22.249 -19.267 1091 HB2 ASN 667 2HB ASN 667 13.362 -22.915 -19.248 1092 HB3 ASN 667 3HB ASN 667 13.254 -23.453 -20.925 1093 HD21 ASN 667 HD21 ASN 667 14.749 -22.075 -21.835 1094 HD22 ASN 667 HD22 ASN 667 14.407 -20.348 -21.987 1095 H SER 668 H SER 668 9.936 -20.778 -20.582 1096 HA SER 668 HA SER 668 8.524 -21.601 -22.932 1097 HB2 SER 668 2HB SER 668 9.112 -18.803 -21.934 1098 HB3 SER 668 3HB SER 668 7.913 -19.236 -23.160 1099 HG SER 668 HG SER 668 7.346 -18.977 -20.778 1100 H ILE 669 H ILE 669 11.224 -19.208 -22.769 1101 HA ILE 669 HA ILE 669 11.690 -19.717 -25.682 1102 HB ILE 669 HB ILE 669 11.866 -17.352 -26.070 1103 HG12 ILE 669 2HG1 ILE 669 10.936 -16.892 -23.204 1104 HG13 ILE 669 3HG1 ILE 669 12.592 -16.655 -23.765 1105 HG21 ILE 669 1HG2 ILE 669 9.216 -17.997 -24.695 1106 HG22 ILE 669 2HG2 ILE 669 9.490 -16.869 -26.040 1107 HG23 ILE 669 3HG2 ILE 669 9.690 -18.607 -26.283 1108 HD11 ILE 669 3HD1 ILE 669 11.475 -14.520 -23.680 1109 HD12 ILE 669 1HD1 ILE 669 11.804 -14.934 -25.373 1110 HD13 ILE 669 2HD1 ILE 669 10.156 -15.097 -24.711 1111 H LEU 670 H LEU 670 13.702 -19.063 -26.548 1112 HA LEU 670 HA LEU 670 15.924 -19.417 -24.581 1113 HB2 LEU 670 2HB LEU 670 17.101 -20.642 -26.242 1114 HB3 LEU 670 3HB LEU 670 15.490 -21.300 -26.069 1115 HG LEU 670 HG LEU 670 14.877 -19.893 -28.186 1116 HD11 LEU 670 1HD1 LEU 670 17.932 -19.874 -28.355 1117 HD12 LEU 670 2HD1 LEU 670 16.836 -18.473 -28.487 1118 HD13 LEU 670 3HD1 LEU 670 16.866 -19.675 -29.752 1119 HD21 LEU 670 3HD2 LEU 670 15.106 -22.357 -28.109 1120 HD22 LEU 670 1HD2 LEU 670 16.846 -22.188 -28.443 1121 HD23 LEU 670 2HD2 LEU 670 15.640 -21.665 -29.644 1122 H LEU 671 H LEU 671 18.055 -18.626 -25.368 1123 HA LEU 671 HA LEU 671 17.965 -16.284 -27.192 1124 HB2 LEU 671 2HB LEU 671 17.959 -15.408 -24.880 1125 HB3 LEU 671 3HB LEU 671 19.354 -16.400 -24.482 1126 HG LEU 671 HG LEU 671 20.734 -15.108 -26.099 1127 HD11 LEU 671 1HD1 LEU 671 19.844 -12.945 -26.962 1128 HD12 LEU 671 2HD1 LEU 671 18.221 -13.407 -26.406 1129 HD13 LEU 671 3HD1 LEU 671 19.034 -14.329 -27.692 1130 HD21 LEU 671 3HD2 LEU 671 20.847 -13.050 -24.768 1131 HD22 LEU 671 1HD2 LEU 671 20.630 -14.461 -23.722 1132 HD23 LEU 671 2HD2 LEU 671 19.249 -13.396 -24.065 1133 H HIS 672 H HIS 672 19.436 -16.415 -28.698 1134 HA HIS 672 HA HIS 672 21.324 -17.722 -29.793 1135 HB2 HIS 672 2HB HIS 672 20.932 -15.337 -30.049 1136 HB3 HIS 672 3HB HIS 672 21.711 -14.998 -28.519 1137 HD1 HIS 672 1HD HIS 672 24.507 -16.224 -28.786 1138 HD2 HIS 672 2HD HIS 672 22.426 -14.234 -31.834 1139 HE1 HIS 672 1HE HIS 672 26.290 -15.244 -30.344 Start of MODEL 13 1 H ASN 534 H ASN 534 3.225 15.080 5.335 2 HA ASN 534 HA ASN 534 6.123 14.371 5.518 3 HB2 ASN 534 2HB ASN 534 5.303 15.427 7.613 4 HB3 ASN 534 3HB ASN 534 4.105 14.139 7.760 5 HD21 ASN 534 HD21 ASN 534 5.359 13.962 9.865 6 HD22 ASN 534 HD22 ASN 534 6.809 12.942 9.855 7 H CYS 535 H CYS 535 5.305 13.237 3.505 8 HA CYS 535 HA CYS 535 3.820 10.732 3.999 9 HB2 CYS 535 2HB CYS 535 3.841 10.519 1.582 10 HB3 CYS 535 3HB CYS 535 3.380 12.175 2.017 11 HG CYS 535 HG CYS 535 4.852 12.932 0.250 12 H ARG 536 H ARG 536 7.147 11.775 3.572 13 HA ARG 536 HA ARG 536 8.381 9.317 2.877 14 HB2 ARG 536 2HB ARG 536 10.450 10.370 3.507 15 HB3 ARG 536 3HB ARG 536 9.410 11.573 2.743 16 HG2 ARG 536 2HG ARG 536 8.752 12.368 5.072 17 HG3 ARG 536 3HG ARG 536 10.000 11.280 5.714 18 HD2 ARG 536 2HD ARG 536 11.705 12.469 4.344 19 HD3 ARG 536 3HD ARG 536 10.438 13.554 3.736 20 HE ARG 536 HE ARG 536 10.711 13.365 6.673 21 HH11 ARG 536 1HH1 ARG 536 11.434 15.379 3.838 22 HH12 ARG 536 2HH1 ARG 536 11.766 16.753 4.858 23 HH21 ARG 536 1HH2 ARG 536 11.459 15.072 7.817 24 HH22 ARG 536 2HH2 ARG 536 11.666 16.608 7.012 25 H LYS 537 H LYS 537 7.309 10.284 6.082 26 HA LYS 537 HA LYS 537 8.645 8.117 7.480 27 HB2 LYS 537 2HB LYS 537 7.434 8.788 9.344 28 HB3 LYS 537 3HB LYS 537 7.768 10.259 8.449 29 HG2 LYS 537 2HG LYS 537 5.588 10.741 8.811 30 HG3 LYS 537 3HG LYS 537 5.285 9.686 7.445 31 HD2 LYS 537 2HD LYS 537 3.789 8.972 9.151 32 HD3 LYS 537 3HD LYS 537 5.092 7.765 9.181 33 HE2 LYS 537 2HE LYS 537 6.174 9.090 11.047 34 HE3 LYS 537 3HE LYS 537 4.789 10.183 11.031 35 HZ1 LYS 537 3HZ LYS 537 4.680 7.275 11.649 36 HZ2 LYS 537 1HZ LYS 537 3.374 8.274 11.619 37 HZ3 LYS 537 2HZ LYS 537 4.571 8.496 12.731 38 H LEU 538 H LEU 538 5.833 8.223 5.485 39 HA LEU 538 HA LEU 538 4.557 5.907 6.767 40 HB2 LEU 538 2HB LEU 538 3.515 8.151 5.656 41 HB3 LEU 538 3HB LEU 538 3.480 7.120 4.243 42 HG LEU 538 HG LEU 538 1.359 6.977 5.253 43 HD11 LEU 538 1HD1 LEU 538 2.725 4.472 6.296 44 HD12 LEU 538 2HD1 LEU 538 2.286 4.727 4.607 45 HD13 LEU 538 3HD1 LEU 538 1.021 4.677 5.839 46 HD21 LEU 538 3HD2 LEU 538 1.978 7.893 7.479 47 HD22 LEU 538 1HD2 LEU 538 2.642 6.309 7.934 48 HD23 LEU 538 2HD2 LEU 538 0.914 6.482 7.590 49 H VAL 539 H VAL 539 5.993 6.622 3.521 50 HA VAL 539 HA VAL 539 5.776 3.881 2.600 51 HB VAL 539 HB VAL 539 6.467 6.191 1.380 52 HG11 VAL 539 1HG1 VAL 539 8.726 6.278 2.339 53 HG12 VAL 539 2HG1 VAL 539 9.081 4.671 1.624 54 HG13 VAL 539 3HG1 VAL 539 8.766 6.047 0.571 55 HG21 VAL 539 3HG2 VAL 539 7.140 4.735 -0.558 56 HG22 VAL 539 1HG2 VAL 539 7.044 3.343 0.549 57 HG23 VAL 539 2HG2 VAL 539 5.603 4.314 0.206 58 H ALA 540 H ALA 540 8.238 5.542 4.526 59 HA ALA 540 HA ALA 540 10.013 3.330 4.857 60 HB1 ALA 540 1HB ALA 540 10.922 4.770 6.627 61 HB2 ALA 540 2HB ALA 540 10.557 5.730 5.174 62 HB3 ALA 540 3HB ALA 540 9.468 5.777 6.588 63 H SER 541 H SER 541 6.795 3.508 6.046 64 HA SER 541 HA SER 541 7.386 2.301 8.657 65 HB2 SER 541 2HB SER 541 4.949 3.424 7.396 66 HB3 SER 541 3HB SER 541 4.891 2.477 8.848 67 HG SER 541 HG SER 541 6.396 4.875 8.475 68 H MET 542 H MET 542 7.001 1.249 5.515 69 HA MET 542 HA MET 542 5.394 -1.124 5.949 70 HB2 MET 542 2HB MET 542 7.065 0.030 3.701 71 HB3 MET 542 3HB MET 542 6.507 -1.624 3.635 72 HG2 MET 542 2HG MET 542 4.138 -0.740 4.027 73 HG3 MET 542 3HG MET 542 4.806 0.885 3.864 74 HE1 MET 542 3HE MET 542 5.327 -2.584 1.898 75 HE2 MET 542 1HE MET 542 3.586 -2.343 2.123 76 HE3 MET 542 2HE MET 542 4.291 -2.260 0.496 77 HA PRO 543 HA PRO 543 8.703 -3.723 7.420 78 HB2 PRO 543 2HB PRO 543 7.766 -6.222 6.849 79 HB3 PRO 543 3HB PRO 543 7.018 -5.153 8.077 80 HG2 PRO 543 2HG PRO 543 6.139 -5.566 5.207 81 HG3 PRO 543 3HG PRO 543 5.132 -5.603 6.691 82 HD2 PRO 543 2HD PRO 543 5.342 -3.377 5.127 83 HD3 PRO 543 3HD PRO 543 5.198 -3.245 6.906 84 H LEU 544 H LEU 544 7.706 -3.967 4.028 85 HA LEU 544 HA LEU 544 10.044 -5.317 3.047 86 HB2 LEU 544 2HB LEU 544 8.762 -3.280 1.291 87 HB3 LEU 544 3HB LEU 544 9.263 -4.904 0.929 88 HG LEU 544 HG LEU 544 6.717 -4.139 2.405 89 HD11 LEU 544 1HD1 LEU 544 5.590 -4.732 0.296 90 HD12 LEU 544 2HD1 LEU 544 7.155 -5.063 -0.468 91 HD13 LEU 544 3HD1 LEU 544 6.742 -3.409 0.031 92 HD21 LEU 544 3HD2 LEU 544 5.979 -6.406 2.008 93 HD22 LEU 544 1HD2 LEU 544 7.476 -6.445 2.958 94 HD23 LEU 544 2HD2 LEU 544 7.523 -6.816 1.218 95 H PHE 545 H PHE 545 9.613 -2.116 4.256 96 HA PHE 545 HA PHE 545 11.860 -0.939 2.719 97 HB2 PHE 545 2HB PHE 545 9.444 0.216 4.144 98 HB3 PHE 545 3HB PHE 545 10.801 1.209 3.709 99 HD1 PHE 545 2HD PHE 545 8.456 -1.244 2.014 100 HD2 PHE 545 1HD PHE 545 10.674 2.433 1.806 101 HE1 PHE 545 2HE PHE 545 7.331 -0.689 -0.117 102 HE2 PHE 545 1HE PHE 545 9.596 2.962 -0.367 103 HZ PHE 545 HZ PHE 545 7.857 1.449 -1.272 104 H ALA 546 H ALA 546 11.657 -2.491 5.583 105 HA ALA 546 HA ALA 546 12.358 -0.755 7.699 106 HB1 ALA 546 1HB ALA 546 13.141 -3.644 7.125 107 HB2 ALA 546 2HB ALA 546 13.157 -2.863 8.717 108 HB3 ALA 546 3HB ALA 546 11.614 -3.114 7.879 109 H ASN 547 H ASN 547 14.358 -2.543 5.475 110 HA ASN 547 HA ASN 547 16.896 -1.381 6.470 111 HB2 ASN 547 2HB ASN 547 15.823 -4.046 5.779 112 HB3 ASN 547 3HB ASN 547 17.230 -3.710 4.855 113 HD21 ASN 547 HD21 ASN 547 15.972 -4.080 8.122 114 HD22 ASN 547 HD22 ASN 547 17.555 -4.352 8.816 115 H ALA 548 H ALA 548 14.830 -0.367 4.323 116 HA ALA 548 HA ALA 548 15.909 -0.654 1.762 117 HB1 ALA 548 1HB ALA 548 14.484 1.317 1.166 118 HB2 ALA 548 2HB ALA 548 13.622 0.135 2.156 119 HB3 ALA 548 3HB ALA 548 14.245 1.641 2.881 120 H ASP 549 H ASP 549 17.035 0.658 0.328 121 HA ASP 549 HA ASP 549 19.136 2.400 1.229 122 HB2 ASP 549 2HB ASP 549 19.141 1.248 -0.957 123 HB3 ASP 549 3HB ASP 549 17.766 2.190 -1.488 124 HA PRO 550 HA PRO 550 16.257 5.585 2.456 125 HB2 PRO 550 2HB PRO 550 17.936 7.654 3.059 126 HB3 PRO 550 3HB PRO 550 17.870 6.150 4.025 127 HG2 PRO 550 2HG PRO 550 19.769 6.779 1.732 128 HG3 PRO 550 3HG PRO 550 20.205 6.283 3.410 129 HD2 PRO 550 2HD PRO 550 20.053 4.459 1.443 130 HD3 PRO 550 3HD PRO 550 19.343 4.079 3.046 131 H ASN 551 H ASN 551 18.028 5.738 -0.410 132 HA ASN 551 HA ASN 551 16.897 8.322 -1.358 133 HB2 ASN 551 2HB ASN 551 18.853 6.539 -2.835 134 HB3 ASN 551 3HB ASN 551 18.464 8.226 -3.137 135 HD21 ASN 551 HD21 ASN 551 20.230 5.990 -1.104 136 HD22 ASN 551 HD22 ASN 551 21.274 7.216 -0.347 137 H PHE 552 H PHE 552 16.875 4.826 -1.941 138 HA PHE 552 HA PHE 552 15.061 4.712 -4.175 139 HB2 PHE 552 2HB PHE 552 16.169 2.686 -3.546 140 HB3 PHE 552 3HB PHE 552 15.710 2.861 -1.876 141 HD1 PHE 552 2HD PHE 552 14.078 2.286 -5.230 142 HD2 PHE 552 1HD PHE 552 13.982 1.656 -0.973 143 HE1 PHE 552 2HE PHE 552 12.095 0.801 -5.477 144 HE2 PHE 552 1HE PHE 552 12.034 0.138 -1.231 145 HZ PHE 552 HZ PHE 552 11.112 -0.316 -3.496 146 H VAL 553 H VAL 553 14.416 4.615 -0.650 147 HA VAL 553 HA VAL 553 11.609 4.486 -0.876 148 HB VAL 553 HB VAL 553 11.411 5.000 1.398 149 HG11 VAL 553 1HG1 VAL 553 12.893 3.393 2.352 150 HG12 VAL 553 2HG1 VAL 553 12.623 2.869 0.670 151 HG13 VAL 553 3HG1 VAL 553 14.133 3.700 1.121 152 HG21 VAL 553 3HG2 VAL 553 14.251 6.041 1.382 153 HG22 VAL 553 1HG2 VAL 553 12.787 6.992 1.753 154 HG23 VAL 553 2HG2 VAL 553 13.310 5.686 2.832 155 H THR 554 H THR 554 13.752 7.224 -0.884 156 HA THR 554 HA THR 554 11.743 9.309 -0.610 157 HB THR 554 HB THR 554 14.698 9.466 -1.324 158 HG1 THR 554 1HG THR 554 14.840 8.961 0.683 159 HG21 THR 554 1HG2 THR 554 12.634 11.547 -0.503 160 HG22 THR 554 2HG2 THR 554 13.601 11.511 -1.999 161 HG23 THR 554 3HG2 THR 554 14.399 11.824 -0.447 162 H ALA 555 H ALA 555 13.660 7.977 -3.370 163 HA ALA 555 HA ALA 555 12.831 10.008 -5.207 164 HB1 ALA 555 1HB ALA 555 13.757 8.440 -6.896 165 HB2 ALA 555 2HB ALA 555 14.832 8.572 -5.487 166 HB3 ALA 555 3HB ALA 555 13.799 7.143 -5.678 167 H MET 556 H MET 556 11.312 7.147 -3.984 168 HA MET 556 HA MET 556 9.336 6.657 -6.010 169 HB2 MET 556 2HB MET 556 10.206 5.147 -4.211 170 HB3 MET 556 3HB MET 556 9.250 6.055 -3.028 171 HG2 MET 556 2HG MET 556 7.193 5.489 -4.256 172 HG3 MET 556 3HG MET 556 8.134 4.610 -5.464 173 HE1 MET 556 3HE MET 556 10.295 3.239 -3.082 174 HE2 MET 556 1HE MET 556 9.563 1.637 -3.285 175 HE3 MET 556 2HE MET 556 9.837 2.666 -4.718 176 H LEU 557 H LEU 557 9.540 9.105 -3.534 177 HA LEU 557 HA LEU 557 6.682 9.560 -3.268 178 HB2 LEU 557 2HB LEU 557 8.970 11.377 -2.436 179 HB3 LEU 557 3HB LEU 557 7.344 11.341 -1.772 180 HG LEU 557 HG LEU 557 9.459 9.159 -1.464 181 HD11 LEU 557 1HD1 LEU 557 8.377 11.092 0.585 182 HD12 LEU 557 2HD1 LEU 557 9.969 11.177 -0.203 183 HD13 LEU 557 3HD1 LEU 557 9.580 9.793 0.834 184 HD21 LEU 557 3HD2 LEU 557 7.201 8.161 -1.407 185 HD22 LEU 557 1HD2 LEU 557 6.669 9.398 -0.241 186 HD23 LEU 557 2HD2 LEU 557 7.894 8.197 0.217 187 H THR 558 H THR 558 9.196 10.820 -5.307 188 HA THR 558 HA THR 558 8.525 13.410 -5.830 189 HB THR 558 HB THR 558 9.633 13.110 -8.057 190 HG1 THR 558 1HG THR 558 10.150 10.445 -7.352 191 HG21 THR 558 1HG2 THR 558 10.991 13.418 -6.011 192 HG22 THR 558 2HG2 THR 558 11.804 12.389 -7.194 193 HG23 THR 558 3HG2 THR 558 11.042 11.665 -5.757 194 H LYS 559 H LYS 559 6.843 10.703 -7.242 195 HA LYS 559 HA LYS 559 4.925 12.548 -8.577 196 HB2 LYS 559 2HB LYS 559 4.702 10.857 -10.429 197 HB3 LYS 559 3HB LYS 559 6.146 11.831 -10.358 198 HG2 LYS 559 2HG LYS 559 6.679 9.634 -11.061 199 HG3 LYS 559 3HG LYS 559 7.483 9.951 -9.541 200 HD2 LYS 559 2HD LYS 559 4.886 8.370 -9.747 201 HD3 LYS 559 3HD LYS 559 6.484 7.644 -9.983 202 HE2 LYS 559 2HE LYS 559 7.184 8.413 -7.724 203 HE3 LYS 559 3HE LYS 559 5.551 9.033 -7.447 204 HZ1 LYS 559 3HZ LYS 559 6.350 6.231 -7.861 205 HZ2 LYS 559 1HZ LYS 559 4.765 6.719 -7.808 206 HZ3 LYS 559 2HZ LYS 559 5.786 6.903 -6.490 207 H LEU 560 H LEU 560 4.648 11.303 -5.921 208 HA LEU 560 HA LEU 560 2.774 9.100 -6.106 209 HB2 LEU 560 2HB LEU 560 3.955 10.856 -3.977 210 HB3 LEU 560 3HB LEU 560 2.322 10.373 -3.636 211 HG LEU 560 HG LEU 560 4.552 8.402 -4.226 212 HD11 LEU 560 1HD1 LEU 560 4.480 7.946 -1.813 213 HD12 LEU 560 2HD1 LEU 560 3.195 9.161 -1.595 214 HD13 LEU 560 3HD1 LEU 560 4.816 9.669 -2.070 215 HD21 LEU 560 3HD2 LEU 560 2.942 6.759 -3.307 216 HD22 LEU 560 1HD2 LEU 560 2.290 7.495 -4.765 217 HD23 LEU 560 2HD2 LEU 560 1.700 8.011 -3.170 218 H LYS 561 H LYS 561 0.551 9.167 -5.379 219 HA LYS 561 HA LYS 561 -0.853 11.784 -5.697 220 HB2 LYS 561 2HB LYS 561 -1.095 9.778 -7.537 221 HB3 LYS 561 3HB LYS 561 -2.290 9.250 -6.370 222 HG2 LYS 561 2HG LYS 561 -3.607 10.557 -7.707 223 HG3 LYS 561 3HG LYS 561 -3.131 11.786 -6.539 224 HD2 LYS 561 2HD LYS 561 -1.880 11.256 -9.267 225 HD3 LYS 561 3HD LYS 561 -2.978 12.582 -8.870 226 HE2 LYS 561 2HE LYS 561 -1.301 13.572 -7.373 227 HE3 LYS 561 3HE LYS 561 -0.193 12.219 -7.660 228 HZ1 LYS 561 3HZ LYS 561 0.109 12.837 -9.859 229 HZ2 LYS 561 1HZ LYS 561 0.195 14.252 -9.041 230 HZ3 LYS 561 2HZ LYS 561 -1.165 13.893 -9.894 231 H PHE 562 H PHE 562 -2.696 12.140 -4.451 232 HA PHE 562 HA PHE 562 -3.054 10.320 -2.097 233 HB2 PHE 562 2HB PHE 562 -2.518 12.037 -0.837 234 HB3 PHE 562 3HB PHE 562 -2.431 13.131 -2.196 235 HD1 PHE 562 1HD PHE 562 -4.572 14.229 -3.052 236 HD2 PHE 562 2HD PHE 562 -4.365 12.148 0.710 237 HE1 PHE 562 1HE PHE 562 -6.544 15.512 -2.256 238 HE2 PHE 562 2HE PHE 562 -6.373 13.437 1.495 239 HZ PHE 562 HZ PHE 562 -7.431 15.120 0.034 240 H GLU 563 H GLU 563 -5.118 9.957 -1.258 241 HA GLU 563 HA GLU 563 -7.485 10.945 -2.701 242 HB2 GLU 563 2HB GLU 563 -6.618 9.000 -3.989 243 HB3 GLU 563 3HB GLU 563 -6.816 7.962 -2.581 244 HG2 GLU 563 2HG GLU 563 -9.113 7.848 -2.856 245 HG3 GLU 563 3HG GLU 563 -9.227 9.499 -3.487 246 H VAL 564 H VAL 564 -9.510 10.500 -1.532 247 HA VAL 564 HA VAL 564 -9.145 9.439 1.241 248 HB VAL 564 HB VAL 564 -11.041 11.728 0.708 249 HG11 VAL 564 1HG1 VAL 564 -9.538 10.853 3.212 250 HG12 VAL 564 2HG1 VAL 564 -10.793 12.063 3.080 251 HG13 VAL 564 3HG1 VAL 564 -11.225 10.395 2.849 252 HG21 VAL 564 3HG2 VAL 564 -8.125 11.971 1.530 253 HG22 VAL 564 1HG2 VAL 564 -8.897 12.704 0.103 254 HG23 VAL 564 2HG2 VAL 564 -9.338 13.261 1.728 255 H PHE 565 H PHE 565 -10.797 8.310 2.145 256 HA PHE 565 HA PHE 565 -13.241 7.798 0.482 257 HB2 PHE 565 2HB PHE 565 -11.747 5.942 2.358 258 HB3 PHE 565 3HB PHE 565 -13.372 5.641 1.758 259 HD1 PHE 565 1HD PHE 565 -9.847 6.277 0.549 260 HD2 PHE 565 2HD PHE 565 -13.727 4.607 -0.340 261 HE1 PHE 565 1HE PHE 565 -8.948 5.255 -1.526 262 HE2 PHE 565 2HE PHE 565 -12.789 3.523 -2.364 263 HZ PHE 565 HZ PHE 565 -10.389 3.814 -2.936 264 H GLN 566 H GLN 566 -15.194 8.058 1.460 265 HA GLN 566 HA GLN 566 -15.198 9.751 3.916 266 HB2 GLN 566 2HB GLN 566 -17.241 9.026 1.742 267 HB3 GLN 566 3HB GLN 566 -17.675 9.917 3.179 268 HG2 GLN 566 2HG GLN 566 -17.451 11.454 1.400 269 HG3 GLN 566 3HG GLN 566 -16.242 11.773 2.628 270 HE21 GLN 566 HE21 GLN 566 -13.978 11.451 2.084 271 HE22 GLN 566 HE22 GLN 566 -13.528 11.093 0.427 272 HA PRO 567 HA PRO 567 -16.424 6.858 6.827 273 HB2 PRO 567 2HB PRO 567 -19.008 8.248 7.494 274 HB3 PRO 567 3HB PRO 567 -17.663 7.780 8.574 275 HG2 PRO 567 2HG PRO 567 -18.011 10.362 7.774 276 HG3 PRO 567 3HG PRO 567 -16.375 9.664 7.898 277 HD2 PRO 567 2HD PRO 567 -18.075 10.049 5.435 278 HD3 PRO 567 3HD PRO 567 -16.329 10.355 5.654 279 H GLY 568 H GLY 568 -17.187 4.804 6.690 280 HA2 GLY 568 2HA GLY 568 -18.878 3.209 6.916 281 HA3 GLY 568 3HA GLY 568 -20.023 4.280 6.096 282 H ASP 569 H ASP 569 -17.273 4.483 4.249 283 HA ASP 569 HA ASP 569 -18.693 3.054 2.234 284 HB2 ASP 569 2HB ASP 569 -17.929 5.409 2.008 285 HB3 ASP 569 3HB ASP 569 -16.252 4.849 2.032 286 H TYR 570 H TYR 570 -18.116 1.291 1.125 287 HA TYR 570 HA TYR 570 -15.964 -0.410 2.059 288 HB2 TYR 570 2HB TYR 570 -17.820 -0.711 -0.324 289 HB3 TYR 570 3HB TYR 570 -16.746 -1.954 0.307 290 HD1 TYR 570 HD1 TYR 570 -17.020 -2.608 2.825 291 HD2 TYR 570 HD2 TYR 570 -20.051 -0.597 0.512 292 HE1 TYR 570 HE1 TYR 570 -18.748 -3.296 4.474 293 HE2 TYR 570 HE2 TYR 570 -21.776 -1.294 2.158 294 HH TYR 570 HH TYR 570 -20.988 -3.462 4.890 295 H ILE 571 H ILE 571 -13.900 -0.076 1.601 296 HA ILE 571 HA ILE 571 -13.155 1.657 -0.627 297 HB ILE 571 HB ILE 571 -11.041 1.851 0.328 298 HG12 ILE 571 2HG1 ILE 571 -11.786 -0.543 2.056 299 HG13 ILE 571 3HG1 ILE 571 -10.460 -0.372 0.873 300 HG21 ILE 571 1HG2 ILE 571 -11.526 2.905 2.357 301 HG22 ILE 571 2HG2 ILE 571 -13.048 2.995 1.451 302 HG23 ILE 571 3HG2 ILE 571 -12.870 1.797 2.741 303 HD11 ILE 571 3HD1 ILE 571 -10.666 1.004 3.539 304 HD12 ILE 571 1HD1 ILE 571 -9.521 -0.251 3.016 305 HD13 ILE 571 2HD1 ILE 571 -9.473 1.379 2.261 306 H ILE 572 H ILE 572 -13.025 -1.777 -0.128 307 HA ILE 572 HA ILE 572 -10.720 -2.192 -1.928 308 HB ILE 572 HB ILE 572 -12.264 -3.972 -0.024 309 HG12 ILE 572 2HG1 ILE 572 -10.798 -2.537 1.055 310 HG13 ILE 572 3HG1 ILE 572 -10.374 -4.245 1.208 311 HG21 ILE 572 1HG2 ILE 572 -11.696 -5.451 -1.905 312 HG22 ILE 572 2HG2 ILE 572 -10.037 -4.803 -1.953 313 HG23 ILE 572 3HG2 ILE 572 -10.579 -5.769 -0.576 314 HD11 ILE 572 3HD1 ILE 572 -8.467 -2.908 1.201 315 HD12 ILE 572 1HD1 ILE 572 -8.483 -3.938 -0.254 316 HD13 ILE 572 2HD1 ILE 572 -8.884 -2.192 -0.390 317 H ARG 573 H ARG 573 -10.843 -3.184 -3.922 318 HA ARG 573 HA ARG 573 -13.339 -4.595 -4.694 319 HB2 ARG 573 2HB ARG 573 -13.055 -1.973 -5.309 320 HB3 ARG 573 3HB ARG 573 -12.159 -2.611 -6.666 321 HG2 ARG 573 2HG ARG 573 -15.045 -3.269 -5.908 322 HG3 ARG 573 3HG ARG 573 -14.520 -2.120 -7.146 323 HD2 ARG 573 2HD ARG 573 -13.333 -4.083 -8.285 324 HD3 ARG 573 3HD ARG 573 -14.238 -5.139 -7.177 325 HE ARG 573 HE ARG 573 -16.120 -3.394 -8.341 326 HH11 ARG 573 1HH1 ARG 573 -14.070 -6.035 -9.385 327 HH12 ARG 573 2HH1 ARG 573 -14.967 -6.287 -10.861 328 HH21 ARG 573 1HH2 ARG 573 -17.079 -3.604 -10.328 329 HH22 ARG 573 2HH2 ARG 573 -16.788 -5.059 -11.264 330 H GLU 574 H GLU 574 -12.803 -6.574 -5.404 331 HA GLU 574 HA GLU 574 -10.146 -7.180 -6.565 332 HB2 GLU 574 2HB GLU 574 -11.340 -8.812 -5.076 333 HB3 GLU 574 3HB GLU 574 -12.607 -8.963 -6.295 334 HG2 GLU 574 2HG GLU 574 -10.839 -9.788 -7.925 335 HG3 GLU 574 3HG GLU 574 -9.663 -9.733 -6.629 336 H GLY 575 H GLY 575 -9.777 -7.858 -8.717 337 HA2 GLY 575 2HA GLY 575 -11.793 -8.296 -10.635 338 HA3 GLY 575 3HA GLY 575 -11.336 -6.601 -10.801 339 H THR 576 H THR 576 -8.417 -7.293 -10.055 340 HA THR 576 HA THR 576 -7.512 -8.865 -12.365 341 HB THR 576 HB THR 576 -8.118 -6.738 -13.371 342 HG1 THR 576 1HG THR 576 -6.149 -6.298 -14.342 343 HG21 THR 576 1HG2 THR 576 -7.712 -5.236 -11.397 344 HG22 THR 576 2HG2 THR 576 -6.943 -4.668 -12.886 345 HG23 THR 576 3HG2 THR 576 -5.966 -5.464 -11.629 346 H ILE 577 H ILE 577 -5.198 -8.924 -12.507 347 HA ILE 577 HA ILE 577 -3.791 -8.655 -9.921 348 HB ILE 577 HB ILE 577 -2.986 -10.089 -12.503 349 HG12 ILE 577 2HG1 ILE 577 -3.048 -12.032 -10.742 350 HG13 ILE 577 3HG1 ILE 577 -4.145 -10.975 -9.866 351 HG21 ILE 577 1HG2 ILE 577 -1.090 -10.960 -11.153 352 HG22 ILE 577 2HG2 ILE 577 -0.992 -9.217 -11.348 353 HG23 ILE 577 3HG2 ILE 577 -1.565 -9.905 -9.804 354 HD11 ILE 577 3HD1 ILE 577 -4.486 -12.175 -12.638 355 HD12 ILE 577 1HD1 ILE 577 -5.332 -12.674 -11.174 356 HD13 ILE 577 2HD1 ILE 577 -5.682 -11.097 -11.892 357 H GLY 578 H GLY 578 -2.180 -7.095 -9.690 358 HA2 GLY 578 2HA GLY 578 -0.385 -5.712 -10.431 359 HA3 GLY 578 3HA GLY 578 -0.978 -5.804 -12.090 360 H LYS 579 H LYS 579 -2.790 -5.148 -9.128 361 HA LYS 579 HA LYS 579 -4.264 -2.938 -10.222 362 HB2 LYS 579 2HB LYS 579 -5.077 -4.744 -8.721 363 HB3 LYS 579 3HB LYS 579 -4.062 -4.113 -7.420 364 HG2 LYS 579 2HG LYS 579 -5.368 -2.134 -7.223 365 HG3 LYS 579 3HG LYS 579 -6.245 -2.474 -8.737 366 HD2 LYS 579 2HD LYS 579 -7.302 -4.434 -7.723 367 HD3 LYS 579 3HD LYS 579 -6.330 -4.250 -6.257 368 HE2 LYS 579 2HE LYS 579 -8.627 -3.414 -5.933 369 HE3 LYS 579 3HE LYS 579 -7.420 -2.148 -5.705 370 HZ1 LYS 579 3HZ LYS 579 -9.331 -1.431 -7.030 371 HZ2 LYS 579 1HZ LYS 579 -8.944 -2.527 -8.215 372 HZ3 LYS 579 2HZ LYS 579 -7.923 -1.264 -7.831 373 H LYS 580 H LYS 580 -4.482 -0.785 -9.193 374 HA LYS 580 HA LYS 580 -1.872 0.369 -8.390 375 HB2 LYS 580 2HB LYS 580 -4.564 1.776 -8.427 376 HB3 LYS 580 3HB LYS 580 -2.956 2.504 -8.364 377 HG2 LYS 580 2HG LYS 580 -4.069 0.959 -10.731 378 HG3 LYS 580 3HG LYS 580 -4.065 2.712 -10.553 379 HD2 LYS 580 2HD LYS 580 -1.567 2.603 -10.318 380 HD3 LYS 580 3HD LYS 580 -1.641 0.891 -10.769 381 HE2 LYS 580 2HE LYS 580 -2.603 3.250 -12.463 382 HE3 LYS 580 3HE LYS 580 -1.064 2.410 -12.665 383 HZ1 LYS 580 3HZ LYS 580 -2.577 1.539 -14.237 384 HZ2 LYS 580 1HZ LYS 580 -3.755 1.261 -13.128 385 HZ3 LYS 580 2HZ LYS 580 -2.370 0.356 -13.128 386 H MET 581 H MET 581 -1.276 1.022 -6.439 387 HA MET 581 HA MET 581 -2.548 -0.568 -4.308 388 HB2 MET 581 2HB MET 581 -0.157 -0.848 -4.824 389 HB3 MET 581 3HB MET 581 0.151 0.840 -4.373 390 HG2 MET 581 2HG MET 581 -0.616 0.383 -2.084 391 HG3 MET 581 3HG MET 581 -1.013 -1.280 -2.519 392 HE1 MET 581 3HE MET 581 0.752 0.070 -0.047 393 HE2 MET 581 1HE MET 581 0.024 -1.532 -0.240 394 HE3 MET 581 2HE MET 581 1.756 -1.391 0.163 395 H TYR 582 H TYR 582 -2.997 0.092 -2.167 396 HA TYR 582 HA TYR 582 -3.230 3.026 -1.678 397 HB2 TYR 582 2HB TYR 582 -5.274 0.861 -1.097 398 HB3 TYR 582 3HB TYR 582 -5.268 2.419 -0.295 399 HD1 TYR 582 HD2 TYR 582 -5.770 4.512 -1.507 400 HD2 TYR 582 HD1 TYR 582 -6.047 0.659 -3.422 401 HE1 TYR 582 HE2 TYR 582 -7.170 5.511 -3.307 402 HE2 TYR 582 HE1 TYR 582 -7.483 1.654 -5.198 403 HH TYR 582 HH TYR 582 -8.356 5.140 -5.194 404 H PHE 583 H PHE 583 -2.535 3.685 0.304 405 HA PHE 583 HA PHE 583 -2.478 1.803 2.493 406 HB2 PHE 583 2HB PHE 583 -0.290 1.821 3.110 407 HB3 PHE 583 3HB PHE 583 -0.289 1.493 1.422 408 HD1 PHE 583 2HD PHE 583 -0.343 5.137 2.428 409 HD2 PHE 583 1HD PHE 583 2.053 1.655 1.562 410 HE1 PHE 583 2HE PHE 583 1.650 6.552 2.268 411 HE2 PHE 583 1HE PHE 583 4.057 3.074 1.428 412 HZ PHE 583 HZ PHE 583 3.867 5.548 1.770 413 H ILE 584 H ILE 584 -2.093 2.827 4.610 414 HA ILE 584 HA ILE 584 -4.015 5.047 4.511 415 HB ILE 584 HB ILE 584 -3.174 3.393 6.936 416 HG12 ILE 584 2HG1 ILE 584 -5.395 2.835 4.904 417 HG13 ILE 584 3HG1 ILE 584 -3.955 1.869 5.164 418 HG21 ILE 584 1HG2 ILE 584 -4.444 5.584 7.316 419 HG22 ILE 584 2HG2 ILE 584 -5.707 5.025 6.206 420 HG23 ILE 584 3HG2 ILE 584 -5.434 4.192 7.746 421 HD11 ILE 584 3HD1 ILE 584 -5.378 0.651 6.373 422 HD12 ILE 584 1HD1 ILE 584 -4.864 1.759 7.660 423 HD13 ILE 584 2HD1 ILE 584 -6.403 2.048 6.827 424 H GLN 585 H GLN 585 -3.241 7.114 4.448 425 HA GLN 585 HA GLN 585 -0.747 7.740 5.815 426 HB2 GLN 585 2HB GLN 585 -2.102 8.837 3.667 427 HB3 GLN 585 3HB GLN 585 -2.429 10.031 4.916 428 HG2 GLN 585 2HG GLN 585 0.343 8.934 4.344 429 HG3 GLN 585 3HG GLN 585 -0.324 10.287 3.443 430 HE21 GLN 585 HE21 GLN 585 0.245 9.429 7.007 431 HE22 GLN 585 HE22 GLN 585 0.937 11.015 7.294 432 H HIS 586 H HIS 586 -4.125 8.779 6.304 433 HA HIS 586 HA HIS 586 -3.815 8.680 9.222 434 HB2 HIS 586 2HB HIS 586 -3.641 11.256 7.795 435 HB3 HIS 586 3HB HIS 586 -4.957 11.229 8.949 436 HD1 HIS 586 1HD HIS 586 -1.460 9.648 9.485 437 HD2 HIS 586 2HD HIS 586 -4.021 12.660 10.912 438 HE1 HIS 586 1HE HIS 586 -0.349 10.581 11.595 439 H GLY 587 H GLY 587 -5.567 7.618 9.901 440 HA2 GLY 587 2HA GLY 587 -8.072 8.404 10.192 441 HA3 GLY 587 3HA GLY 587 -8.161 7.844 8.519 442 H VAL 588 H VAL 588 -9.746 6.299 9.537 443 HA VAL 588 HA VAL 588 -8.402 3.892 10.574 444 HB VAL 588 HB VAL 588 -10.905 5.054 11.851 445 HG11 VAL 588 1HG1 VAL 588 -10.556 3.304 13.560 446 HG12 VAL 588 2HG1 VAL 588 -10.840 2.591 11.979 447 HG13 VAL 588 3HG1 VAL 588 -9.187 2.663 12.640 448 HG21 VAL 588 3HG2 VAL 588 -8.051 4.962 12.913 449 HG22 VAL 588 1HG2 VAL 588 -9.004 6.421 12.556 450 HG23 VAL 588 2HG2 VAL 588 -9.482 5.366 13.882 451 H VAL 589 H VAL 589 -9.334 2.026 9.948 452 HA VAL 589 HA VAL 589 -11.855 2.065 8.325 453 HB VAL 589 HB VAL 589 -11.007 0.230 6.946 454 HG11 VAL 589 1HG1 VAL 589 -10.753 2.513 6.038 455 HG12 VAL 589 2HG1 VAL 589 -9.174 2.665 6.841 456 HG13 VAL 589 3HG1 VAL 589 -9.413 1.482 5.544 457 HG21 VAL 589 3HG2 VAL 589 -8.615 -0.333 6.892 458 HG22 VAL 589 1HG2 VAL 589 -8.327 0.775 8.252 459 HG23 VAL 589 2HG2 VAL 589 -9.313 -0.697 8.468 460 H SER 590 H SER 590 -13.177 0.226 8.562 461 HA SER 590 HA SER 590 -12.638 -1.476 10.992 462 HB2 SER 590 2HB SER 590 -15.340 -0.423 10.091 463 HB3 SER 590 3HB SER 590 -15.032 -1.617 11.387 464 HG SER 590 HG SER 590 -15.102 0.907 11.842 465 H VAL 591 H VAL 591 -12.722 -3.540 10.609 466 HA VAL 591 HA VAL 591 -12.599 -4.227 7.720 467 HB VAL 591 HB VAL 591 -10.610 -3.050 8.365 468 HG11 VAL 591 1HG1 VAL 591 -10.856 -3.002 10.727 469 HG12 VAL 591 2HG1 VAL 591 -10.665 -4.805 10.818 470 HG13 VAL 591 3HG1 VAL 591 -9.298 -3.716 10.427 471 HG21 VAL 591 3HG2 VAL 591 -10.063 -5.334 7.430 472 HG22 VAL 591 1HG2 VAL 591 -8.858 -4.557 8.519 473 HG23 VAL 591 2HG2 VAL 591 -9.893 -5.850 9.166 474 H LEU 592 H LEU 592 -12.501 -6.385 7.258 475 HA LEU 592 HA LEU 592 -12.235 -8.236 9.587 476 HB2 LEU 592 2HB LEU 592 -13.594 -8.811 6.888 477 HB3 LEU 592 3HB LEU 592 -13.336 -9.970 8.157 478 HG LEU 592 HG LEU 592 -15.599 -9.509 8.099 479 HD11 LEU 592 1HD1 LEU 592 -16.145 -8.845 10.304 480 HD12 LEU 592 2HD1 LEU 592 -14.688 -7.838 10.435 481 HD13 LEU 592 3HD1 LEU 592 -14.548 -9.616 10.379 482 HD21 LEU 592 3HD2 LEU 592 -16.732 -7.418 8.293 483 HD22 LEU 592 1HD2 LEU 592 -15.607 -7.328 6.939 484 HD23 LEU 592 2HD2 LEU 592 -15.209 -6.524 8.467 485 H THR 593 H THR 593 -10.244 -9.375 9.493 486 HA THR 593 HA THR 593 -9.053 -9.656 6.732 487 HB THR 593 HB THR 593 -7.152 -10.825 8.055 488 HG1 THR 593 1HG THR 593 -6.793 -9.807 9.991 489 HG21 THR 593 1HG2 THR 593 -6.929 -8.749 6.757 490 HG22 THR 593 2HG2 THR 593 -6.078 -8.578 8.296 491 HG23 THR 593 3HG2 THR 593 -7.676 -7.814 8.066 492 H LYS 594 H LYS 594 -8.885 -11.563 5.642 493 HA LYS 594 HA LYS 594 -11.271 -13.098 6.188 494 HB2 LYS 594 2HB LYS 594 -10.861 -14.176 4.000 495 HB3 LYS 594 3HB LYS 594 -10.993 -12.439 3.968 496 HG2 LYS 594 2HG LYS 594 -8.187 -13.423 4.185 497 HG3 LYS 594 3HG LYS 594 -9.042 -13.927 2.726 498 HD2 LYS 594 2HD LYS 594 -9.573 -11.622 2.130 499 HD3 LYS 594 3HD LYS 594 -8.925 -11.030 3.658 500 HE2 LYS 594 2HE LYS 594 -7.336 -10.599 1.893 501 HE3 LYS 594 3HE LYS 594 -6.675 -11.756 3.050 502 HZ1 LYS 594 3HZ LYS 594 -6.214 -12.454 0.822 503 HZ2 LYS 594 1HZ LYS 594 -7.811 -12.477 0.398 504 HZ3 LYS 594 2HZ LYS 594 -7.201 -13.539 1.511 505 H GLY 595 H GLY 595 -7.928 -14.009 6.742 506 HA2 GLY 595 2HA GLY 595 -8.526 -16.801 7.382 507 HA3 GLY 595 3HA GLY 595 -7.152 -15.813 7.938 508 H ASN 596 H ASN 596 -9.336 -13.820 8.902 509 HA ASN 596 HA ASN 596 -8.854 -14.824 11.673 510 HB2 ASN 596 2HB ASN 596 -8.146 -12.206 10.426 511 HB3 ASN 596 3HB ASN 596 -7.572 -12.727 11.932 512 HD21 ASN 596 HD21 ASN 596 -5.831 -11.817 9.918 513 HD22 ASN 596 HD22 ASN 596 -4.811 -13.192 9.586 514 H LYS 597 H LYS 597 -9.282 -11.839 12.406 515 HA LYS 597 HA LYS 597 -12.162 -12.206 12.851 516 HB2 LYS 597 2HB LYS 597 -10.304 -10.633 14.668 517 HB3 LYS 597 3HB LYS 597 -11.893 -11.279 15.014 518 HG2 LYS 597 2HG LYS 597 -10.575 -12.718 16.208 519 HG3 LYS 597 3HG LYS 597 -10.820 -13.636 14.727 520 HD2 LYS 597 2HD LYS 597 -8.470 -11.988 14.380 521 HD3 LYS 597 3HD LYS 597 -8.336 -12.728 15.970 522 HE2 LYS 597 2HE LYS 597 -8.876 -14.144 13.356 523 HE3 LYS 597 3HE LYS 597 -7.266 -13.912 14.013 524 HZ1 LYS 597 3HZ LYS 597 -9.437 -15.519 15.269 525 HZ2 LYS 597 1HZ LYS 597 -8.001 -15.180 16.009 526 HZ3 LYS 597 2HZ LYS 597 -8.052 -16.091 14.650 527 H GLU 598 H GLU 598 -13.284 -10.268 13.684 528 HA GLU 598 HA GLU 598 -13.044 -8.041 11.839 529 HB2 GLU 598 2HB GLU 598 -14.660 -6.835 13.179 530 HB3 GLU 598 3HB GLU 598 -15.263 -8.448 12.811 531 HG2 GLU 598 2HG GLU 598 -14.811 -9.236 15.059 532 HG3 GLU 598 3HG GLU 598 -13.967 -7.746 15.480 533 H MET 599 H MET 599 -12.022 -6.146 12.080 534 HA MET 599 HA MET 599 -10.857 -5.387 14.666 535 HB2 MET 599 2HB MET 599 -9.102 -5.127 12.269 536 HB3 MET 599 3HB MET 599 -8.704 -4.937 13.956 537 HG2 MET 599 2HG MET 599 -8.779 -7.281 14.355 538 HG3 MET 599 3HG MET 599 -9.433 -7.618 12.751 539 HE1 MET 599 3HE MET 599 -8.362 -7.565 10.623 540 HE2 MET 599 1HE MET 599 -7.834 -5.885 10.691 541 HE3 MET 599 2HE MET 599 -6.661 -7.148 10.263 542 H LYS 600 H LYS 600 -9.965 -3.167 14.553 543 HA LYS 600 HA LYS 600 -10.731 -1.704 12.167 544 HB2 LYS 600 2HB LYS 600 -9.991 -0.705 14.985 545 HB3 LYS 600 3HB LYS 600 -9.642 0.299 13.598 546 HG2 LYS 600 2HG LYS 600 -11.687 0.944 14.767 547 HG3 LYS 600 3HG LYS 600 -11.887 0.616 13.040 548 HD2 LYS 600 2HD LYS 600 -13.797 -0.230 14.286 549 HD3 LYS 600 3HD LYS 600 -12.838 -1.507 13.497 550 HE2 LYS 600 2HE LYS 600 -11.732 -1.965 15.706 551 HE3 LYS 600 3HE LYS 600 -12.640 -0.657 16.453 552 HZ1 LYS 600 3HZ LYS 600 -14.024 -2.999 15.254 553 HZ2 LYS 600 1HZ LYS 600 -14.613 -1.932 16.355 554 HZ3 LYS 600 2HZ LYS 600 -13.473 -2.987 16.804 555 H LEU 601 H LEU 601 -9.218 -0.499 11.317 556 HA LEU 601 HA LEU 601 -6.336 -1.143 11.808 557 HB2 LEU 601 2HB LEU 601 -7.777 -1.868 9.392 558 HB3 LEU 601 3HB LEU 601 -6.660 -0.558 9.012 559 HG LEU 601 HG LEU 601 -4.817 -1.935 10.039 560 HD11 LEU 601 1HD1 LEU 601 -6.223 -3.477 11.374 561 HD12 LEU 601 2HD1 LEU 601 -5.309 -4.399 10.165 562 HD13 LEU 601 3HD1 LEU 601 -7.026 -4.017 9.883 563 HD21 LEU 601 3HD2 LEU 601 -6.352 -3.146 7.687 564 HD22 LEU 601 1HD2 LEU 601 -4.629 -3.370 8.041 565 HD23 LEU 601 2HD2 LEU 601 -5.235 -1.770 7.582 566 H SER 602 H SER 602 -4.924 0.588 11.488 567 HA SER 602 HA SER 602 -6.043 3.198 10.594 568 HB2 SER 602 2HB SER 602 -6.441 3.120 12.948 569 HB3 SER 602 3HB SER 602 -4.782 2.653 13.283 570 HG SER 602 HG SER 602 -5.223 4.883 13.655 571 H ASP 603 H ASP 603 -4.043 4.777 11.020 572 HA ASP 603 HA ASP 603 -2.658 4.663 8.656 573 HB2 ASP 603 2HB ASP 603 -1.233 6.427 9.402 574 HB3 ASP 603 3HB ASP 603 -2.873 6.685 9.980 575 H GLY 604 H GLY 604 -0.580 4.358 7.886 576 HA2 GLY 604 2HA GLY 604 1.562 3.355 7.800 577 HA3 GLY 604 3HA GLY 604 1.322 2.776 9.443 578 H SER 605 H SER 605 -1.395 1.727 8.281 579 HA SER 605 HA SER 605 -0.511 -0.958 7.499 580 HB2 SER 605 2HB SER 605 -3.266 0.278 7.718 581 HB3 SER 605 3HB SER 605 -2.902 -1.463 7.548 582 HG SER 605 HG SER 605 -2.758 0.221 9.742 583 H TYR 606 H TYR 606 -1.334 -2.016 5.529 584 HA TYR 606 HA TYR 606 -1.985 -0.216 3.260 585 HB2 TYR 606 2HB TYR 606 -0.073 -0.880 1.993 586 HB3 TYR 606 3HB TYR 606 0.462 -0.158 3.494 587 HD1 TYR 606 HD2 TYR 606 1.537 -1.447 5.261 588 HD2 TYR 606 HD1 TYR 606 0.369 -3.270 1.525 589 HE1 TYR 606 HE2 TYR 606 3.034 -3.385 5.725 590 HE2 TYR 606 HE1 TYR 606 1.904 -5.167 1.966 591 HH TYR 606 HH TYR 606 3.338 -6.140 3.473 592 H PHE 607 H PHE 607 -2.912 -1.109 1.474 593 HA PHE 607 HA PHE 607 -3.180 -4.046 1.205 594 HB2 PHE 607 2HB PHE 607 -5.744 -3.787 1.199 595 HB3 PHE 607 3HB PHE 607 -4.885 -3.831 2.711 596 HD1 PHE 607 1HD PHE 607 -5.982 -1.180 0.227 597 HD2 PHE 607 2HD PHE 607 -5.666 -2.418 4.346 598 HE1 PHE 607 1HE PHE 607 -7.090 0.917 0.945 599 HE2 PHE 607 2HE PHE 607 -6.802 -0.331 5.052 600 HZ PHE 607 HZ PHE 607 -7.437 1.374 3.374 601 H GLY 608 H GLY 608 -4.853 -4.582 -0.550 602 HA2 GLY 608 2HA GLY 608 -5.456 -3.005 -2.784 603 HA3 GLY 608 3HA GLY 608 -3.818 -3.624 -3.072 604 H GLU 609 H GLU 609 -4.030 -5.368 -4.510 605 HA GLU 609 HA GLU 609 -5.529 -7.673 -3.338 606 HB2 GLU 609 2HB GLU 609 -5.528 -8.742 -5.333 607 HB3 GLU 609 3HB GLU 609 -5.772 -7.099 -5.872 608 HG2 GLU 609 2HG GLU 609 -3.163 -8.685 -5.970 609 HG3 GLU 609 3HG GLU 609 -4.268 -8.426 -7.297 610 H ILE 610 H ILE 610 -2.582 -6.155 -3.794 611 HA ILE 610 HA ILE 610 -0.446 -6.422 -3.568 612 HB ILE 610 HB ILE 610 -0.872 -8.881 -1.871 613 HG12 ILE 610 2HG1 ILE 610 0.192 -7.470 -0.128 614 HG13 ILE 610 3HG1 ILE 610 0.228 -6.095 -1.226 615 HG21 ILE 610 1HG2 ILE 610 1.655 -8.594 -1.521 616 HG22 ILE 610 2HG2 ILE 610 1.217 -9.190 -3.114 617 HG23 ILE 610 3HG2 ILE 610 1.650 -7.488 -2.914 618 HD11 ILE 610 3HD1 ILE 610 -1.578 -6.055 0.531 619 HD12 ILE 610 1HD1 ILE 610 -2.185 -5.867 -1.112 620 HD13 ILE 610 2HD1 ILE 610 -2.337 -7.439 -0.280 621 H CYS 611 H CYS 611 -0.248 -6.453 -5.646 622 HA CYS 611 HA CYS 611 0.793 -9.040 -6.740 623 HB2 CYS 611 2HB CYS 611 -0.840 -8.161 -8.207 624 HB3 CYS 611 3HB CYS 611 -0.186 -6.527 -8.055 625 HG CYS 611 HG CYS 611 1.249 -9.239 -9.371 626 H LEU 612 H LEU 612 1.715 -5.804 -7.658 627 HA LEU 612 HA LEU 612 3.609 -4.797 -8.047 628 HB2 LEU 612 2HB LEU 612 4.200 -5.782 -5.274 629 HB3 LEU 612 3HB LEU 612 5.485 -5.011 -6.199 630 HG LEU 612 HG LEU 612 2.805 -3.632 -6.059 631 HD11 LEU 612 1HD1 LEU 612 3.312 -4.116 -3.713 632 HD12 LEU 612 2HD1 LEU 612 3.563 -2.397 -4.062 633 HD13 LEU 612 3HD1 LEU 612 4.963 -3.485 -3.913 634 HD21 LEU 612 3HD2 LEU 612 4.911 -2.932 -7.501 635 HD22 LEU 612 1HD2 LEU 612 5.589 -2.457 -5.954 636 HD23 LEU 612 2HD2 LEU 612 4.114 -1.676 -6.522 637 H LEU 613 H LEU 613 4.684 -7.927 -6.849 638 HA LEU 613 HA LEU 613 5.861 -8.510 -9.529 639 HB2 LEU 613 2HB LEU 613 7.088 -9.429 -6.899 640 HB3 LEU 613 3HB LEU 613 7.711 -9.620 -8.528 641 HG LEU 613 HG LEU 613 7.643 -6.925 -8.493 642 HD11 LEU 613 1HD1 LEU 613 8.250 -7.599 -5.579 643 HD12 LEU 613 2HD1 LEU 613 6.722 -6.887 -6.097 644 HD13 LEU 613 3HD1 LEU 613 8.231 -5.994 -6.340 645 HD21 LEU 613 3HD2 LEU 613 10.000 -6.945 -7.741 646 HD22 LEU 613 1HD2 LEU 613 9.639 -8.228 -8.914 647 HD23 LEU 613 2HD2 LEU 613 9.796 -8.630 -7.190 648 H THR 614 H THR 614 3.878 -9.511 -6.873 649 HA THR 614 HA THR 614 4.058 -12.380 -7.464 650 HB THR 614 HB THR 614 3.877 -11.344 -5.096 651 HG1 THR 614 1HG THR 614 2.750 -13.303 -4.507 652 HG21 THR 614 1HG2 THR 614 1.656 -11.511 -4.100 653 HG22 THR 614 2HG2 THR 614 0.909 -11.638 -5.698 654 HG23 THR 614 3HG2 THR 614 1.783 -10.166 -5.218 655 H ARG 615 H ARG 615 1.822 -13.628 -7.317 656 HA ARG 615 HA ARG 615 0.128 -12.560 -9.546 657 HB2 ARG 615 2HB ARG 615 0.199 -14.718 -10.652 658 HB3 ARG 615 3HB ARG 615 1.795 -13.996 -10.489 659 HG2 ARG 615 2HG ARG 615 2.315 -15.537 -8.608 660 HG3 ARG 615 3HG ARG 615 0.687 -16.219 -8.715 661 HD2 ARG 615 2HD ARG 615 2.250 -17.710 -9.790 662 HD3 ARG 615 3HD ARG 615 1.172 -17.042 -11.005 663 HE ARG 615 HE ARG 615 4.076 -16.514 -10.653 664 HH11 ARG 615 1HH1 ARG 615 1.258 -15.909 -12.753 665 HH12 ARG 615 2HH1 ARG 615 2.263 -14.890 -13.785 666 HH21 ARG 615 1HH2 ARG 615 5.154 -15.209 -12.116 667 HH22 ARG 615 2HH2 ARG 615 4.239 -14.582 -13.495 668 H GLY 616 H GLY 616 -1.881 -13.556 -9.927 669 HA2 GLY 616 2HA GLY 616 -3.933 -14.470 -9.265 670 HA3 GLY 616 3HA GLY 616 -3.316 -14.778 -7.645 671 H ARG 617 H ARG 617 -5.826 -13.470 -8.570 672 HA ARG 617 HA ARG 617 -5.584 -10.720 -7.389 673 HB2 ARG 617 2HB ARG 617 -7.707 -10.173 -8.399 674 HB3 ARG 617 3HB ARG 617 -6.467 -10.614 -9.561 675 HG2 ARG 617 2HG ARG 617 -7.509 -12.905 -9.736 676 HG3 ARG 617 3HG ARG 617 -8.830 -12.327 -8.699 677 HD2 ARG 617 2HD ARG 617 -9.338 -10.571 -10.372 678 HD3 ARG 617 3HD ARG 617 -7.965 -11.104 -11.362 679 HE ARG 617 HE ARG 617 -9.669 -13.348 -10.847 680 HH11 ARG 617 1HH1 ARG 617 -9.932 -10.394 -12.856 681 HH12 ARG 617 2HH1 ARG 617 -10.965 -11.284 -13.962 682 HH21 ARG 617 1HH2 ARG 617 -11.089 -14.210 -12.392 683 HH22 ARG 617 2HH2 ARG 617 -11.565 -13.152 -13.709 684 H ARG 618 H ARG 618 -6.940 -10.002 -5.806 685 HA ARG 618 HA ARG 618 -7.972 -12.101 -3.939 686 HB2 ARG 618 2HB ARG 618 -5.845 -10.004 -3.332 687 HB3 ARG 618 3HB ARG 618 -6.726 -10.885 -2.111 688 HG2 ARG 618 2HG ARG 618 -4.782 -12.038 -2.187 689 HG3 ARG 618 3HG ARG 618 -5.833 -13.051 -3.166 690 HD2 ARG 618 2HD ARG 618 -4.732 -12.348 -5.189 691 HD3 ARG 618 3HD ARG 618 -3.904 -11.018 -4.387 692 HE ARG 618 HE ARG 618 -3.255 -13.909 -4.257 693 HH11 ARG 618 1HH1 ARG 618 -2.363 -10.703 -3.018 694 HH12 ARG 618 2HH1 ARG 618 -0.916 -11.379 -2.290 695 HH21 ARG 618 1HH2 ARG 618 -1.239 -14.501 -3.505 696 HH22 ARG 618 2HH2 ARG 618 -0.374 -13.362 -2.484 697 H THR 619 H THR 619 -9.141 -11.375 -2.154 698 HA THR 619 HA THR 619 -10.637 -8.793 -2.422 699 HB THR 619 HB THR 619 -12.391 -10.011 -1.003 700 HG1 THR 619 1HG THR 619 -11.093 -12.287 -2.059 701 HG21 THR 619 1HG2 THR 619 -11.994 -11.015 -3.826 702 HG22 THR 619 2HG2 THR 619 -12.856 -9.541 -3.332 703 HG23 THR 619 3HG2 THR 619 -13.483 -11.128 -2.869 704 H ALA 620 H ALA 620 -11.439 -7.911 -0.424 705 HA ALA 620 HA ALA 620 -10.869 -9.156 2.059 706 HB1 ALA 620 1HB ALA 620 -9.591 -6.420 1.592 707 HB2 ALA 620 2HB ALA 620 -9.779 -7.205 3.177 708 HB3 ALA 620 3HB ALA 620 -8.740 -7.937 1.946 709 H SER 621 H SER 621 -12.548 -8.638 3.497 710 HA SER 621 HA SER 621 -14.647 -6.740 2.530 711 HB2 SER 621 2HB SER 621 -14.649 -8.860 4.688 712 HB3 SER 621 3HB SER 621 -15.931 -7.653 4.513 713 HG SER 621 HG SER 621 -16.427 -9.565 3.439 714 H VAL 622 H VAL 622 -13.820 -4.698 2.926 715 HA VAL 622 HA VAL 622 -13.770 -3.869 5.756 716 HB VAL 622 HB VAL 622 -11.463 -4.487 5.505 717 HG11 VAL 622 1HG1 VAL 622 -10.004 -3.615 3.777 718 HG12 VAL 622 2HG1 VAL 622 -11.250 -4.717 3.178 719 HG13 VAL 622 3HG1 VAL 622 -11.456 -2.950 2.975 720 HG21 VAL 622 3HG2 VAL 622 -10.266 -2.462 5.810 721 HG22 VAL 622 1HG2 VAL 622 -11.473 -1.528 4.903 722 HG23 VAL 622 2HG2 VAL 622 -11.876 -2.218 6.519 723 H ARG 623 H ARG 623 -14.206 -1.757 6.159 724 HA ARG 623 HA ARG 623 -14.723 0.092 3.885 725 HB2 ARG 623 2HB ARG 623 -16.852 0.753 4.747 726 HB3 ARG 623 3HB ARG 623 -16.841 -1.000 4.652 727 HG2 ARG 623 2HG ARG 623 -16.056 -0.773 7.208 728 HG3 ARG 623 3HG ARG 623 -16.852 0.795 7.082 729 HD2 ARG 623 2HD ARG 623 -18.128 -1.872 6.333 730 HD3 ARG 623 3HD ARG 623 -18.231 -1.156 7.943 731 HE ARG 623 HE ARG 623 -19.209 0.696 5.925 732 HH11 ARG 623 1HH1 ARG 623 -20.212 -2.370 7.388 733 HH12 ARG 623 2HH1 ARG 623 -21.861 -1.799 7.553 734 HH21 ARG 623 1HH2 ARG 623 -21.404 1.338 6.460 735 HH22 ARG 623 2HH2 ARG 623 -22.467 0.050 6.946 736 H ALA 624 H ALA 624 -14.740 2.351 4.467 737 HA ALA 624 HA ALA 624 -12.741 3.046 6.487 738 HB1 ALA 624 1HB ALA 624 -13.131 5.317 5.736 739 HB2 ALA 624 2HB ALA 624 -13.010 4.262 4.325 740 HB3 ALA 624 3HB ALA 624 -14.603 4.825 4.871 741 H ASP 625 H ASP 625 -13.088 3.604 8.637 742 HA ASP 625 HA ASP 625 -15.780 3.236 9.754 743 HB2 ASP 625 2HB ASP 625 -13.379 2.801 10.842 744 HB3 ASP 625 3HB ASP 625 -13.427 4.495 11.202 745 H THR 626 H THR 626 -13.921 5.739 8.514 746 HA THR 626 HA THR 626 -15.462 8.101 9.366 747 HB THR 626 HB THR 626 -14.124 7.556 11.324 748 HG1 THR 626 1HG THR 626 -13.119 9.449 11.537 749 HG21 THR 626 1HG2 THR 626 -11.662 7.587 11.288 750 HG22 THR 626 2HG2 THR 626 -11.679 7.650 9.510 751 HG23 THR 626 3HG2 THR 626 -12.315 6.224 10.374 752 H TYR 627 H TYR 627 -13.843 10.095 8.550 753 HA TYR 627 HA TYR 627 -13.548 9.623 5.666 754 HB2 TYR 627 2HB TYR 627 -14.624 11.614 6.523 755 HB3 TYR 627 3HB TYR 627 -13.225 12.026 7.445 756 HD1 TYR 627 HD1 TYR 627 -11.119 12.853 6.282 757 HD2 TYR 627 HD2 TYR 627 -14.918 12.386 4.312 758 HE1 TYR 627 HE1 TYR 627 -10.379 14.422 4.475 759 HE2 TYR 627 HE2 TYR 627 -14.180 13.958 2.512 760 HH TYR 627 HH TYR 627 -10.883 15.383 2.498 761 H CYS 628 H CYS 628 -11.863 8.352 5.186 762 HA CYS 628 HA CYS 628 -9.355 8.534 6.775 763 HB2 CYS 628 2HB CYS 628 -10.802 6.431 6.753 764 HB3 CYS 628 3HB CYS 628 -10.282 6.211 5.060 765 HG CYS 628 HG CYS 628 -8.932 4.647 6.698 766 H ARG 629 H ARG 629 -7.562 9.291 5.917 767 HA ARG 629 HA ARG 629 -7.439 9.858 3.020 768 HB2 ARG 629 2HB ARG 629 -7.099 11.704 4.522 769 HB3 ARG 629 3HB ARG 629 -5.773 10.870 5.348 770 HG2 ARG 629 2HG ARG 629 -4.343 10.961 3.457 771 HG3 ARG 629 3HG ARG 629 -5.679 11.445 2.404 772 HD2 ARG 629 2HD ARG 629 -4.298 13.351 2.897 773 HD3 ARG 629 3HD ARG 629 -5.898 13.575 3.615 774 HE ARG 629 HE ARG 629 -5.051 13.485 5.757 775 HH11 ARG 629 1HH1 ARG 629 -2.343 13.012 3.516 776 HH12 ARG 629 2HH1 ARG 629 -1.196 12.998 4.844 777 HH21 ARG 629 1HH2 ARG 629 -3.456 13.788 7.271 778 HH22 ARG 629 2HH2 ARG 629 -1.785 13.765 6.804 779 H LEU 630 H LEU 630 -6.391 8.808 1.675 780 HA LEU 630 HA LEU 630 -4.435 6.717 2.505 781 HB2 LEU 630 2HB LEU 630 -6.436 6.497 0.231 782 HB3 LEU 630 3HB LEU 630 -5.291 5.275 0.769 783 HG LEU 630 HG LEU 630 -7.826 6.186 2.175 784 HD11 LEU 630 1HD1 LEU 630 -6.917 3.401 1.320 785 HD12 LEU 630 2HD1 LEU 630 -7.892 4.455 0.299 786 HD13 LEU 630 3HD1 LEU 630 -8.540 3.903 1.849 787 HD21 LEU 630 3HD2 LEU 630 -7.308 4.448 3.895 788 HD22 LEU 630 1HD2 LEU 630 -6.193 5.813 3.958 789 HD23 LEU 630 2HD2 LEU 630 -5.679 4.287 3.193 790 H TYR 631 H TYR 631 -3.020 6.079 0.737 791 HA TYR 631 HA TYR 631 -2.297 8.342 -1.076 792 HB2 TYR 631 2HB TYR 631 -0.255 7.982 -0.455 793 HB3 TYR 631 3HB TYR 631 -0.779 6.873 0.716 794 HD1 TYR 631 HD1 TYR 631 -1.537 4.465 -1.155 795 HD2 TYR 631 HD2 TYR 631 1.913 7.006 -0.731 796 HE1 TYR 631 HE1 TYR 631 -0.083 2.594 -1.843 797 HE2 TYR 631 HE2 TYR 631 3.373 5.095 -1.327 798 HH TYR 631 HH TYR 631 3.457 2.855 -1.870 799 H SER 632 H SER 632 -1.470 7.632 -3.320 800 HA SER 632 HA SER 632 -2.371 4.950 -4.148 801 HB2 SER 632 2HB SER 632 -3.223 7.415 -5.689 802 HB3 SER 632 3HB SER 632 -3.368 5.740 -6.253 803 HG SER 632 HG SER 632 -4.387 5.843 -3.816 804 H LEU 633 H LEU 633 -0.881 3.925 -5.239 805 HA LEU 633 HA LEU 633 1.216 5.385 -6.781 806 HB2 LEU 633 2HB LEU 633 1.750 4.746 -4.304 807 HB3 LEU 633 3HB LEU 633 1.889 3.108 -4.912 808 HG LEU 633 HG LEU 633 3.568 5.532 -5.769 809 HD11 LEU 633 1HD1 LEU 633 5.370 4.343 -4.580 810 HD12 LEU 633 2HD1 LEU 633 4.237 3.070 -4.102 811 HD13 LEU 633 3HD1 LEU 633 4.042 4.732 -3.493 812 HD21 LEU 633 3HD2 LEU 633 3.618 4.043 -7.647 813 HD22 LEU 633 1HD2 LEU 633 3.778 2.614 -6.598 814 HD23 LEU 633 2HD2 LEU 633 5.108 3.778 -6.766 815 H SER 634 H SER 634 1.737 4.414 -8.701 816 HA SER 634 HA SER 634 0.353 1.915 -9.434 817 HB2 SER 634 2HB SER 634 0.947 2.361 -11.677 818 HB3 SER 634 3HB SER 634 0.442 3.897 -10.975 819 HG SER 634 HG SER 634 2.300 4.224 -12.126 820 H VAL 635 H VAL 635 1.251 -0.065 -9.806 821 HA VAL 635 HA VAL 635 3.878 -0.576 -8.665 822 HB VAL 635 HB VAL 635 3.691 -2.772 -9.091 823 HG11 VAL 635 1HG1 VAL 635 0.764 -2.055 -9.036 824 HG12 VAL 635 2HG1 VAL 635 1.538 -3.520 -8.410 825 HG13 VAL 635 3HG1 VAL 635 1.847 -1.958 -7.626 826 HG21 VAL 635 3HG2 VAL 635 3.566 -2.996 -11.367 827 HG22 VAL 635 1HG2 VAL 635 2.318 -3.967 -10.613 828 HG23 VAL 635 2HG2 VAL 635 1.857 -2.433 -11.411 829 H ASP 636 H ASP 636 2.766 0.359 -11.792 830 HA ASP 636 HA ASP 636 5.072 -0.316 -13.346 831 HB2 ASP 636 2HB ASP 636 3.012 1.890 -13.615 832 HB3 ASP 636 3HB ASP 636 4.229 1.525 -14.848 833 H ASN 637 H ASN 637 4.386 2.551 -11.266 834 HA ASN 637 HA ASN 637 7.023 3.743 -11.909 835 HB2 ASN 637 2HB ASN 637 4.861 4.528 -9.927 836 HB3 ASN 637 3HB ASN 637 6.396 5.373 -10.154 837 HD21 ASN 637 HD21 ASN 637 6.727 5.657 -12.917 838 HD22 ASN 637 HD22 ASN 637 5.337 6.501 -13.530 839 H PHE 638 H PHE 638 5.627 1.764 -9.230 840 HA PHE 638 HA PHE 638 7.827 1.794 -7.414 841 HB2 PHE 638 2HB PHE 638 5.650 0.784 -6.953 842 HB3 PHE 638 3HB PHE 638 6.055 -0.544 -8.037 843 HD1 PHE 638 1HD PHE 638 8.027 -2.072 -7.489 844 HD2 PHE 638 2HD PHE 638 6.554 0.893 -4.727 845 HE1 PHE 638 1HE PHE 638 9.143 -3.261 -5.625 846 HE2 PHE 638 2HE PHE 638 7.659 -0.318 -2.857 847 HZ PHE 638 HZ PHE 638 8.936 -2.410 -3.299 848 H ASN 639 H ASN 639 7.206 -0.571 -10.094 849 HA ASN 639 HA ASN 639 9.724 -1.903 -9.729 850 HB2 ASN 639 2HB ASN 639 7.611 -1.919 -11.913 851 HB3 ASN 639 3HB ASN 639 9.056 -2.913 -11.993 852 HD21 ASN 639 HD21 ASN 639 5.890 -2.745 -10.555 853 HD22 ASN 639 HD22 ASN 639 6.098 -4.356 -9.846 854 H GLU 640 H GLU 640 8.893 0.962 -11.516 855 HA GLU 640 HA GLU 640 11.243 1.187 -13.202 856 HB2 GLU 640 2HB GLU 640 9.271 2.151 -13.949 857 HB3 GLU 640 3HB GLU 640 8.832 2.766 -12.371 858 HG2 GLU 640 2HG GLU 640 10.268 4.547 -12.435 859 HG3 GLU 640 3HG GLU 640 11.099 3.995 -13.924 860 H VAL 641 H VAL 641 10.364 2.277 -9.967 861 HA VAL 641 HA VAL 641 12.969 3.676 -9.662 862 HB VAL 641 HB VAL 641 11.088 4.766 -8.704 863 HG11 VAL 641 1HG1 VAL 641 9.630 2.964 -7.947 864 HG12 VAL 641 2HG1 VAL 641 10.844 2.435 -6.774 865 HG13 VAL 641 3HG1 VAL 641 10.056 4.018 -6.601 866 HG21 VAL 641 3HG2 VAL 641 13.444 4.865 -7.693 867 HG22 VAL 641 1HG2 VAL 641 12.087 5.398 -6.650 868 HG23 VAL 641 2HG2 VAL 641 12.797 3.808 -6.398 869 H LEU 642 H LEU 642 11.508 0.647 -8.593 870 HA LEU 642 HA LEU 642 13.511 -0.195 -6.794 871 HB2 LEU 642 2HB LEU 642 11.261 -1.160 -7.141 872 HB3 LEU 642 3HB LEU 642 11.747 -1.799 -8.697 873 HG LEU 642 HG LEU 642 11.547 -3.383 -6.732 874 HD11 LEU 642 1HD1 LEU 642 14.261 -3.506 -8.071 875 HD12 LEU 642 2HD1 LEU 642 12.727 -3.932 -8.870 876 HD13 LEU 642 3HD1 LEU 642 13.254 -4.835 -7.450 877 HD21 LEU 642 3HD2 LEU 642 13.416 -3.636 -5.210 878 HD22 LEU 642 1HD2 LEU 642 12.733 -2.011 -5.047 879 HD23 LEU 642 2HD2 LEU 642 14.259 -2.260 -5.931 880 H GLU 643 H GLU 643 13.476 -0.676 -10.388 881 HA GLU 643 HA GLU 643 15.875 -2.091 -10.513 882 HB2 GLU 643 2HB GLU 643 15.474 -1.811 -12.827 883 HB3 GLU 643 3HB GLU 643 13.946 -2.003 -12.071 884 HG2 GLU 643 2HG GLU 643 13.255 -0.192 -13.083 885 HG3 GLU 643 3HG GLU 643 14.401 0.817 -12.200 886 H GLU 644 H GLU 644 15.616 1.249 -9.686 887 HA GLU 644 HA GLU 644 18.141 2.136 -10.913 888 HB2 GLU 644 2HB GLU 644 16.374 3.281 -8.767 889 HB3 GLU 644 3HB GLU 644 17.805 4.049 -9.350 890 HG2 GLU 644 2HG GLU 644 15.863 3.315 -11.489 891 HG3 GLU 644 3HG GLU 644 15.208 4.297 -10.240 892 H TYR 645 H TYR 645 17.237 0.305 -8.180 893 HA TYR 645 HA TYR 645 19.789 0.804 -6.692 894 HB2 TYR 645 2HB TYR 645 16.992 0.485 -5.565 895 HB3 TYR 645 3HB TYR 645 18.476 0.601 -4.624 896 HD1 TYR 645 HD1 TYR 645 19.739 2.742 -4.494 897 HD2 TYR 645 HD2 TYR 645 16.023 2.431 -6.628 898 HE1 TYR 645 HE1 TYR 645 19.612 5.212 -4.619 899 HE2 TYR 645 HE2 TYR 645 15.898 4.907 -6.798 900 HH TYR 645 HH TYR 645 18.527 6.981 -5.479 901 HA PRO 646 HA PRO 646 19.318 -3.644 -7.933 902 HB2 PRO 646 2HB PRO 646 22.061 -4.180 -7.990 903 HB3 PRO 646 3HB PRO 646 21.004 -3.649 -9.342 904 HG2 PRO 646 2HG PRO 646 22.723 -1.912 -7.547 905 HG3 PRO 646 3HG PRO 646 22.604 -1.895 -9.340 906 HD2 PRO 646 2HD PRO 646 21.178 -0.108 -7.965 907 HD3 PRO 646 3HD PRO 646 20.378 -1.018 -9.263 908 H MET 647 H MET 647 21.005 -2.342 -5.052 909 HA MET 647 HA MET 647 21.168 -4.799 -3.567 910 HB2 MET 647 2HB MET 647 22.257 -2.713 -2.849 911 HB3 MET 647 3HB MET 647 20.687 -1.916 -2.721 912 HG2 MET 647 2HG MET 647 20.084 -3.739 -0.987 913 HG3 MET 647 3HG MET 647 21.815 -4.129 -0.977 914 HE1 MET 647 3HE MET 647 18.904 -2.102 0.283 915 HE2 MET 647 1HE MET 647 19.552 -0.483 0.641 916 HE3 MET 647 2HE MET 647 19.415 -1.048 -1.051 917 H MET 648 H MET 648 18.448 -2.561 -4.179 918 HA MET 648 HA MET 648 16.635 -4.020 -2.349 919 HB2 MET 648 2HB MET 648 16.264 -1.683 -4.246 920 HB3 MET 648 3HB MET 648 14.960 -2.400 -3.288 921 HG2 MET 648 2HG MET 648 17.433 -0.988 -2.269 922 HG3 MET 648 3HG MET 648 15.778 -0.403 -2.219 923 HE1 MET 648 3HE MET 648 14.291 -3.311 -1.208 924 HE2 MET 648 1HE MET 648 14.168 -2.844 0.498 925 HE3 MET 648 2HE MET 648 13.826 -1.647 -0.771 926 H ARG 649 H ARG 649 17.401 -3.904 -5.807 927 HA ARG 649 HA ARG 649 15.252 -5.481 -6.792 928 HB2 ARG 649 2HB ARG 649 17.227 -4.216 -7.955 929 HB3 ARG 649 3HB ARG 649 18.090 -5.744 -7.816 930 HG2 ARG 649 2HG ARG 649 15.571 -5.132 -9.394 931 HG3 ARG 649 3HG ARG 649 17.173 -5.431 -10.003 932 HD2 ARG 649 2HD ARG 649 16.188 -7.402 -10.487 933 HD3 ARG 649 3HD ARG 649 16.900 -7.809 -8.920 934 HE ARG 649 HE ARG 649 14.744 -8.138 -8.095 935 HH11 ARG 649 1HH1 ARG 649 14.336 -6.078 -10.986 936 HH12 ARG 649 2HH1 ARG 649 12.590 -6.171 -10.780 937 HH21 ARG 649 1HH2 ARG 649 12.536 -8.413 -8.314 938 HH22 ARG 649 2HH2 ARG 649 11.660 -7.291 -9.362 939 H ARG 650 H ARG 650 18.390 -6.629 -5.434 940 HA ARG 650 HA ARG 650 17.625 -9.402 -5.620 941 HB2 ARG 650 2HB ARG 650 19.500 -9.894 -4.205 942 HB3 ARG 650 3HB ARG 650 19.900 -8.889 -5.593 943 HG2 ARG 650 2HG ARG 650 21.275 -8.146 -3.868 944 HG3 ARG 650 3HG ARG 650 20.055 -6.913 -4.046 945 HD2 ARG 650 2HD ARG 650 20.714 -7.441 -1.680 946 HD3 ARG 650 3HD ARG 650 18.985 -7.588 -1.980 947 HE ARG 650 HE ARG 650 20.564 -10.065 -2.230 948 HH11 ARG 650 1HH1 ARG 650 18.943 -8.131 0.204 949 HH12 ARG 650 2HH1 ARG 650 18.397 -9.538 1.090 950 HH21 ARG 650 1HH2 ARG 650 19.673 -11.788 -1.234 951 HH22 ARG 650 2HH2 ARG 650 18.897 -11.598 0.328 952 H ALA 651 H ALA 651 17.093 -7.119 -3.109 953 HA ALA 651 HA ALA 651 16.345 -8.793 -0.992 954 HB1 ALA 651 1HB ALA 651 15.191 -6.859 -0.079 955 HB2 ALA 651 2HB ALA 651 16.616 -6.249 -0.948 956 HB3 ALA 651 3HB ALA 651 14.992 -6.148 -1.686 957 H PHE 652 H PHE 652 14.482 -8.029 -3.877 958 HA PHE 652 HA PHE 652 12.140 -9.567 -2.906 959 HB2 PHE 652 2HB PHE 652 12.726 -7.893 -5.353 960 HB3 PHE 652 3HB PHE 652 11.262 -8.876 -5.190 961 HD1 PHE 652 2HD PHE 652 9.813 -8.465 -3.020 962 HD2 PHE 652 1HD PHE 652 12.745 -5.692 -4.512 963 HE1 PHE 652 2HE PHE 652 8.756 -6.653 -1.709 964 HE2 PHE 652 1HE PHE 652 11.675 -3.857 -3.211 965 HZ PHE 652 HZ PHE 652 9.680 -4.339 -1.790 966 H GLU 653 H GLU 653 15.019 -10.188 -4.836 967 HA GLU 653 HA GLU 653 13.994 -12.523 -6.239 968 HB2 GLU 653 2HB GLU 653 16.814 -11.676 -5.438 969 HB3 GLU 653 3HB GLU 653 16.470 -13.084 -6.416 970 HG2 GLU 653 2HG GLU 653 15.532 -10.324 -7.281 971 HG3 GLU 653 3HG GLU 653 17.166 -10.897 -7.588 972 H THR 654 H THR 654 15.428 -11.970 -3.081 973 HA THR 654 HA THR 654 16.057 -14.720 -2.459 974 HB THR 654 HB THR 654 17.284 -12.890 -1.533 975 HG1 THR 654 1HG THR 654 17.301 -13.565 0.611 976 HG21 THR 654 1HG2 THR 654 14.715 -12.134 -0.096 977 HG22 THR 654 2HG2 THR 654 15.658 -11.179 -1.251 978 HG23 THR 654 3HG2 THR 654 16.328 -11.524 0.342 979 H VAL 655 H VAL 655 13.244 -12.821 -2.076 980 HA VAL 655 HA VAL 655 11.771 -14.790 -0.425 981 HB VAL 655 HB VAL 655 11.328 -12.510 0.071 982 HG11 VAL 655 1HG1 VAL 655 12.012 -11.421 -1.886 983 HG12 VAL 655 2HG1 VAL 655 10.523 -11.972 -2.738 984 HG13 VAL 655 3HG1 VAL 655 10.419 -10.868 -1.358 985 HG21 VAL 655 3HG2 VAL 655 9.386 -14.084 0.153 986 HG22 VAL 655 1HG2 VAL 655 8.945 -12.381 -0.067 987 HG23 VAL 655 2HG2 VAL 655 8.912 -13.483 -1.454 988 H ALA 656 H ALA 656 11.786 -13.567 -3.760 989 HA ALA 656 HA ALA 656 9.595 -14.755 -4.854 990 HB1 ALA 656 1HB ALA 656 12.303 -14.654 -6.244 991 HB2 ALA 656 2HB ALA 656 10.692 -14.581 -6.986 992 HB3 ALA 656 3HB ALA 656 11.259 -13.244 -6.011 993 H ILE 657 H ILE 657 12.677 -16.421 -4.323 994 HA ILE 657 HA ILE 657 11.954 -18.815 -5.710 995 HB ILE 657 HB ILE 657 14.224 -17.902 -5.554 996 HG12 ILE 657 2HG1 ILE 657 15.497 -19.946 -5.210 997 HG13 ILE 657 3HG1 ILE 657 14.136 -20.712 -4.406 998 HG21 ILE 657 1HG2 ILE 657 15.598 -18.176 -3.554 999 HG22 ILE 657 2HG2 ILE 657 14.213 -17.149 -3.194 1000 HG23 ILE 657 3HG2 ILE 657 14.223 -18.848 -2.660 1001 HD11 ILE 657 3HD1 ILE 657 12.834 -20.666 -6.512 1002 HD12 ILE 657 1HD1 ILE 657 14.167 -19.788 -7.311 1003 HD13 ILE 657 2HD1 ILE 657 14.394 -21.457 -6.752 1004 H ASP 658 H ASP 658 11.193 -17.887 -2.481 1005 HA ASP 658 HA ASP 658 10.308 -20.711 -1.912 1006 HB2 ASP 658 2HB ASP 658 10.842 -18.387 -0.037 1007 HB3 ASP 658 3HB ASP 658 9.948 -19.826 0.439 1008 H ARG 659 H ARG 659 9.282 -17.370 -2.302 1009 HA ARG 659 HA ARG 659 6.555 -17.499 -1.606 1010 HB2 ARG 659 2HB ARG 659 7.879 -15.475 -2.040 1011 HB3 ARG 659 3HB ARG 659 7.997 -15.894 -3.756 1012 HG2 ARG 659 2HG ARG 659 5.551 -15.595 -4.002 1013 HG3 ARG 659 3HG ARG 659 5.420 -15.269 -2.270 1014 HD2 ARG 659 2HD ARG 659 5.419 -13.142 -3.397 1015 HD3 ARG 659 3HD ARG 659 6.952 -13.321 -2.524 1016 HE ARG 659 HE ARG 659 7.976 -12.849 -4.496 1017 HH11 ARG 659 1HH1 ARG 659 4.962 -14.352 -5.642 1018 HH12 ARG 659 2HH1 ARG 659 5.586 -14.291 -7.280 1019 HH21 ARG 659 1HH2 ARG 659 8.465 -12.678 -6.511 1020 HH22 ARG 659 2HH2 ARG 659 7.437 -13.346 -7.773 1021 H LEU 660 H LEU 660 8.040 -18.299 -4.771 1022 HA LEU 660 HA LEU 660 5.603 -18.667 -6.110 1023 HB2 LEU 660 2HB LEU 660 6.761 -19.387 -7.908 1024 HB3 LEU 660 3HB LEU 660 7.997 -18.495 -7.045 1025 HG LEU 660 HG LEU 660 7.713 -21.529 -7.167 1026 HD11 LEU 660 1HD1 LEU 660 9.750 -21.392 -8.508 1027 HD12 LEU 660 2HD1 LEU 660 9.755 -19.620 -8.378 1028 HD13 LEU 660 3HD1 LEU 660 8.457 -20.450 -9.261 1029 HD21 LEU 660 3HD2 LEU 660 8.760 -20.878 -5.014 1030 HD22 LEU 660 1HD2 LEU 660 9.878 -19.816 -5.891 1031 HD23 LEU 660 2HD2 LEU 660 9.955 -21.574 -6.107 1032 H ASP 661 H ASP 661 6.771 -20.816 -3.696 1033 HA ASP 661 HA ASP 661 5.955 -23.238 -4.940 1034 HB2 ASP 661 2HB ASP 661 7.576 -23.032 -3.017 1035 HB3 ASP 661 3HB ASP 661 6.144 -22.837 -1.964 1036 H ARG 662 H ARG 662 4.396 -24.649 -4.492 1037 HA ARG 662 HA ARG 662 1.761 -23.374 -4.462 1038 HB2 ARG 662 2HB ARG 662 1.183 -25.162 -5.934 1039 HB3 ARG 662 3HB ARG 662 2.718 -24.439 -6.392 1040 HG2 ARG 662 2HG ARG 662 2.743 -26.813 -6.793 1041 HG3 ARG 662 3HG ARG 662 3.965 -26.377 -5.608 1042 HD2 ARG 662 2HD ARG 662 2.787 -27.408 -3.838 1043 HD3 ARG 662 3HD ARG 662 1.257 -27.422 -4.733 1044 HE ARG 662 HE ARG 662 3.255 -29.031 -6.080 1045 HH11 ARG 662 1HH1 ARG 662 1.348 -29.172 -3.158 1046 HH12 ARG 662 2HH1 ARG 662 1.142 -30.897 -3.251 1047 HH21 ARG 662 1HH2 ARG 662 2.824 -31.219 -6.247 1048 HH22 ARG 662 2HH2 ARG 662 2.006 -32.031 -4.927 1049 H ILE 663 H ILE 663 3.212 -24.769 -1.955 1050 HA ILE 663 HA ILE 663 2.952 -26.780 -0.824 1051 HB ILE 663 HB ILE 663 1.084 -24.885 0.583 1052 HG12 ILE 663 2HG1 ILE 663 3.408 -23.750 1.180 1053 HG13 ILE 663 3HG1 ILE 663 3.886 -24.282 -0.353 1054 HG21 ILE 663 1HG2 ILE 663 2.122 -27.018 1.602 1055 HG22 ILE 663 2HG2 ILE 663 3.710 -26.239 1.308 1056 HG23 ILE 663 3HG2 ILE 663 2.549 -25.516 2.437 1057 HD11 ILE 663 3HD1 ILE 663 1.890 -22.903 -1.304 1058 HD12 ILE 663 1HD1 ILE 663 1.511 -22.452 0.363 1059 HD13 ILE 663 2HD1 ILE 663 3.036 -21.931 -0.370 1060 H GLY 664 H GLY 664 -0.047 -26.391 0.525 1061 HA2 GLY 664 2HA GLY 664 -0.994 -28.927 -0.668 1062 HA3 GLY 664 3HA GLY 664 -1.665 -28.082 0.726 1063 H LYS 665 H LYS 665 -1.203 -26.125 -2.097 1064 HA LYS 665 HA LYS 665 -4.179 -25.747 -2.109 1065 HB2 LYS 665 2HB LYS 665 -1.957 -23.747 -2.203 1066 HB3 LYS 665 3HB LYS 665 -3.678 -23.362 -2.256 1067 HG2 LYS 665 2HG LYS 665 -3.980 -24.287 0.011 1068 HG3 LYS 665 3HG LYS 665 -2.299 -24.799 0.064 1069 HD2 LYS 665 2HD LYS 665 -2.631 -22.792 1.378 1070 HD3 LYS 665 3HD LYS 665 -1.513 -22.497 0.036 1071 HE2 LYS 665 2HE LYS 665 -3.263 -21.391 -1.252 1072 HE3 LYS 665 3HE LYS 665 -4.485 -21.816 -0.042 1073 HZ1 LYS 665 3HZ LYS 665 -3.612 -19.513 0.111 1074 HZ2 LYS 665 1HZ LYS 665 -2.143 -20.095 0.534 1075 HZ3 LYS 665 2HZ LYS 665 -3.451 -20.359 1.518 1076 H LYS 666 H LYS 666 -1.310 -25.253 -4.149 1077 HA LYS 666 HA LYS 666 -3.051 -25.066 -6.602 1078 HB2 LYS 666 2HB LYS 666 -0.596 -23.406 -5.876 1079 HB3 LYS 666 3HB LYS 666 -1.418 -23.377 -7.436 1080 HG2 LYS 666 2HG LYS 666 -3.541 -22.674 -6.258 1081 HG3 LYS 666 3HG LYS 666 -2.613 -22.562 -4.759 1082 HD2 LYS 666 2HD LYS 666 -2.804 -20.363 -5.631 1083 HD3 LYS 666 3HD LYS 666 -1.121 -20.855 -5.852 1084 HE2 LYS 666 2HE LYS 666 -1.561 -21.343 -8.241 1085 HE3 LYS 666 3HE LYS 666 -3.282 -20.988 -8.012 1086 HZ1 LYS 666 3HZ LYS 666 -2.139 -19.088 -8.952 1087 HZ2 LYS 666 1HZ LYS 666 -1.075 -19.027 -7.686 1088 HZ3 LYS 666 2HZ LYS 666 -2.694 -18.712 -7.475 1089 H ASN 667 H ASN 667 -1.275 -25.066 -8.587 1090 HA ASN 667 HA ASN 667 0.316 -27.583 -8.273 1091 HB2 ASN 667 2HB ASN 667 -1.686 -27.823 -9.698 1092 HB3 ASN 667 3HB ASN 667 -1.150 -26.491 -10.698 1093 HD21 ASN 667 HD21 ASN 667 -1.164 -27.806 -12.522 1094 HD22 ASN 667 HD22 ASN 667 0.002 -29.099 -12.793 1095 H SER 668 H SER 668 2.233 -27.637 -9.804 1096 HA SER 668 HA SER 668 3.930 -25.447 -9.058 1097 HB2 SER 668 2HB SER 668 4.563 -27.700 -10.977 1098 HB3 SER 668 3HB SER 668 5.704 -26.713 -10.036 1099 HG SER 668 HG SER 668 4.893 -28.962 -9.294 1100 H ILE 669 H ILE 669 5.678 -24.789 -10.829 1101 HA ILE 669 HA ILE 669 4.523 -22.880 -12.559 1102 HB ILE 669 HB ILE 669 6.766 -22.450 -13.325 1103 HG12 ILE 669 2HG1 ILE 669 7.612 -25.052 -11.965 1104 HG13 ILE 669 3HG1 ILE 669 7.508 -24.784 -13.704 1105 HG21 ILE 669 1HG2 ILE 669 6.893 -23.196 -10.383 1106 HG22 ILE 669 2HG2 ILE 669 7.779 -21.899 -11.211 1107 HG23 ILE 669 3HG2 ILE 669 6.027 -21.775 -11.008 1108 HD11 ILE 669 3HD1 ILE 669 9.241 -23.011 -13.542 1109 HD12 ILE 669 1HD1 ILE 669 9.439 -23.403 -11.816 1110 HD13 ILE 669 2HD1 ILE 669 9.808 -24.618 -13.047 1111 H LEU 670 H LEU 670 4.914 -22.600 -14.891 1112 HA LEU 670 HA LEU 670 4.126 -24.860 -16.521 1113 HB2 LEU 670 2HB LEU 670 5.199 -22.114 -17.267 1114 HB3 LEU 670 3HB LEU 670 4.545 -23.271 -18.417 1115 HG LEU 670 HG LEU 670 2.943 -22.063 -16.118 1116 HD11 LEU 670 1HD1 LEU 670 2.936 -21.332 -19.067 1117 HD12 LEU 670 2HD1 LEU 670 3.628 -20.350 -17.751 1118 HD13 LEU 670 3HD1 LEU 670 1.889 -20.660 -17.799 1119 HD21 LEU 670 3HD2 LEU 670 0.988 -22.877 -17.401 1120 HD22 LEU 670 1HD2 LEU 670 2.018 -24.217 -16.890 1121 HD23 LEU 670 2HD2 LEU 670 2.078 -23.648 -18.579 1122 H LEU 671 H LEU 671 5.287 -26.216 -17.718 1123 HA LEU 671 HA LEU 671 8.244 -26.160 -17.429 1124 HB2 LEU 671 2HB LEU 671 6.277 -28.099 -16.556 1125 HB3 LEU 671 3HB LEU 671 7.288 -28.842 -17.767 1126 HG LEU 671 HG LEU 671 8.140 -29.283 -15.556 1127 HD11 LEU 671 1HD1 LEU 671 10.050 -27.322 -16.915 1128 HD12 LEU 671 2HD1 LEU 671 9.805 -29.027 -17.382 1129 HD13 LEU 671 3HD1 LEU 671 10.453 -28.624 -15.792 1130 HD21 LEU 671 3HD2 LEU 671 8.973 -27.581 -14.054 1131 HD22 LEU 671 1HD2 LEU 671 7.276 -27.242 -14.428 1132 HD23 LEU 671 2HD2 LEU 671 8.567 -26.291 -15.198 1133 H HIS 672 H HIS 672 9.460 -27.472 -18.839 1134 HA HIS 672 HA HIS 672 9.347 -26.177 -21.338 1135 HB2 HIS 672 2HB HIS 672 11.313 -26.587 -19.862 1136 HB3 HIS 672 3HB HIS 672 11.233 -28.299 -20.236 1137 HD1 HIS 672 1HD HIS 672 11.417 -25.101 -22.464 1138 HD2 HIS 672 2HD HIS 672 13.170 -28.874 -21.828 1139 HE1 HIS 672 1HE HIS 672 13.282 -25.332 -24.202 Start of MODEL 14 1 H ASN 534 H ASN 534 5.026 14.816 3.750 2 HA ASN 534 HA ASN 534 6.182 13.984 1.308 3 HB2 ASN 534 2HB ASN 534 8.306 14.290 2.379 4 HB3 ASN 534 3HB ASN 534 7.209 15.543 2.951 5 HD21 ASN 534 HD21 ASN 534 6.429 15.423 5.155 6 HD22 ASN 534 HD22 ASN 534 7.153 14.278 6.307 7 H CYS 535 H CYS 535 4.940 11.896 3.651 8 HA CYS 535 HA CYS 535 4.776 9.675 3.837 9 HB2 CYS 535 2HB CYS 535 5.482 9.909 0.907 10 HB3 CYS 535 3HB CYS 535 4.975 8.393 1.669 11 HG CYS 535 HG CYS 535 3.361 11.285 1.459 12 H ARG 536 H ARG 536 8.043 10.580 3.149 13 HA ARG 536 HA ARG 536 9.436 8.233 2.885 14 HB2 ARG 536 2HB ARG 536 10.144 10.635 4.633 15 HB3 ARG 536 3HB ARG 536 11.255 9.311 4.273 16 HG2 ARG 536 2HG ARG 536 11.122 9.791 1.861 17 HG3 ARG 536 3HG ARG 536 9.969 11.095 2.169 18 HD2 ARG 536 2HD ARG 536 12.181 12.003 1.769 19 HD3 ARG 536 3HD ARG 536 11.666 12.352 3.427 20 HE ARG 536 HE ARG 536 13.119 10.004 3.675 21 HH11 ARG 536 1HH1 ARG 536 14.129 13.065 2.182 22 HH12 ARG 536 2HH1 ARG 536 15.736 12.837 2.860 23 HH21 ARG 536 1HH2 ARG 536 15.127 9.821 4.248 24 HH22 ARG 536 2HH2 ARG 536 16.326 11.067 3.831 25 H LYS 537 H LYS 537 8.428 9.457 6.131 26 HA LYS 537 HA LYS 537 9.596 7.260 7.513 27 HB2 LYS 537 2HB LYS 537 8.675 8.194 9.458 28 HB3 LYS 537 3HB LYS 537 9.025 9.543 8.394 29 HG2 LYS 537 2HG LYS 537 6.951 10.246 8.983 30 HG3 LYS 537 3HG LYS 537 6.417 9.154 7.718 31 HD2 LYS 537 2HD LYS 537 5.052 8.459 9.454 32 HD3 LYS 537 3HD LYS 537 6.421 7.365 9.720 33 HE2 LYS 537 2HE LYS 537 7.322 9.283 11.276 34 HE3 LYS 537 3HE LYS 537 5.692 9.951 11.148 35 HZ1 LYS 537 3HZ LYS 537 6.523 7.429 12.419 36 HZ2 LYS 537 1HZ LYS 537 4.954 7.640 11.971 37 HZ3 LYS 537 2HZ LYS 537 5.662 8.660 13.048 38 H LEU 538 H LEU 538 6.542 7.467 5.913 39 HA LEU 538 HA LEU 538 5.348 5.176 7.390 40 HB2 LEU 538 2HB LEU 538 4.293 7.033 5.218 41 HB3 LEU 538 3HB LEU 538 3.454 5.561 5.680 42 HG LEU 538 HG LEU 538 3.998 7.914 7.517 43 HD11 LEU 538 1HD1 LEU 538 2.247 8.280 5.778 44 HD12 LEU 538 2HD1 LEU 538 1.575 8.233 7.414 45 HD13 LEU 538 3HD1 LEU 538 1.401 6.824 6.347 46 HD21 LEU 538 3HD2 LEU 538 3.977 5.911 8.894 47 HD22 LEU 538 1HD2 LEU 538 2.574 5.260 8.014 48 HD23 LEU 538 2HD2 LEU 538 2.406 6.688 9.055 49 H VAL 539 H VAL 539 6.375 5.931 4.016 50 HA VAL 539 HA VAL 539 5.765 3.277 3.067 51 HB VAL 539 HB VAL 539 6.340 5.585 1.819 52 HG11 VAL 539 1HG1 VAL 539 8.748 5.490 2.266 53 HG12 VAL 539 2HG1 VAL 539 8.839 3.902 1.428 54 HG13 VAL 539 3HG1 VAL 539 8.394 5.340 0.522 55 HG21 VAL 539 3HG2 VAL 539 5.126 3.741 0.864 56 HG22 VAL 539 1HG2 VAL 539 6.420 4.213 -0.255 57 HG23 VAL 539 2HG2 VAL 539 6.604 2.767 0.768 58 H ALA 540 H ALA 540 8.770 4.625 4.496 59 HA ALA 540 HA ALA 540 10.264 2.178 4.348 60 HB1 ALA 540 1HB ALA 540 11.747 3.351 5.926 61 HB2 ALA 540 2HB ALA 540 11.242 4.436 4.616 62 HB3 ALA 540 3HB ALA 540 10.488 4.565 6.223 63 H SER 541 H SER 541 7.551 2.869 6.310 64 HA SER 541 HA SER 541 8.428 1.380 8.704 65 HB2 SER 541 2HB SER 541 7.010 3.455 8.737 66 HB3 SER 541 3HB SER 541 5.713 2.456 8.075 67 HG SER 541 HG SER 541 5.761 2.776 10.384 68 H MET 542 H MET 542 6.546 0.927 5.804 69 HA MET 542 HA MET 542 5.131 -1.433 6.332 70 HB2 MET 542 2HB MET 542 4.950 0.368 4.505 71 HB3 MET 542 3HB MET 542 6.292 -0.436 3.701 72 HG2 MET 542 2HG MET 542 3.617 -1.676 4.371 73 HG3 MET 542 3HG MET 542 4.043 -0.962 2.814 74 HE1 MET 542 3HE MET 542 2.960 -3.306 2.020 75 HE2 MET 542 1HE MET 542 4.229 -2.759 0.884 76 HE3 MET 542 2HE MET 542 4.151 -4.464 1.384 77 HA PRO 543 HA PRO 543 8.533 -4.178 6.816 78 HB2 PRO 543 2HB PRO 543 7.444 -6.666 6.191 79 HB3 PRO 543 3HB PRO 543 7.173 -5.753 7.707 80 HG2 PRO 543 2HG PRO 543 5.427 -5.831 5.233 81 HG3 PRO 543 3HG PRO 543 4.934 -6.006 6.949 82 HD2 PRO 543 2HD PRO 543 4.676 -3.647 5.686 83 HD3 PRO 543 3HD PRO 543 5.255 -3.673 7.356 84 H LEU 544 H LEU 544 7.039 -4.246 3.627 85 HA LEU 544 HA LEU 544 9.070 -5.655 2.172 86 HB2 LEU 544 2HB LEU 544 6.732 -5.206 1.524 87 HB3 LEU 544 3HB LEU 544 7.089 -3.502 1.315 88 HG LEU 544 HG LEU 544 8.634 -5.494 -0.336 89 HD11 LEU 544 1HD1 LEU 544 6.800 -5.344 -2.021 90 HD12 LEU 544 2HD1 LEU 544 5.799 -4.482 -0.822 91 HD13 LEU 544 3HD1 LEU 544 6.277 -6.172 -0.543 92 HD21 LEU 544 3HD2 LEU 544 7.442 -2.723 -0.899 93 HD22 LEU 544 1HD2 LEU 544 8.485 -3.654 -1.993 94 HD23 LEU 544 2HD2 LEU 544 9.143 -3.007 -0.485 95 H PHE 545 H PHE 545 9.004 -2.426 3.507 96 HA PHE 545 HA PHE 545 11.440 -1.612 2.001 97 HB2 PHE 545 2HB PHE 545 9.433 0.045 3.528 98 HB3 PHE 545 3HB PHE 545 10.804 0.670 2.637 99 HD1 PHE 545 2HD PHE 545 7.582 -1.200 2.145 100 HD2 PHE 545 1HD PHE 545 10.534 1.420 0.437 101 HE1 PHE 545 2HE PHE 545 6.002 -0.609 0.333 102 HE2 PHE 545 1HE PHE 545 8.957 2.006 -1.387 103 HZ PHE 545 HZ PHE 545 6.659 1.069 -1.374 104 H ALA 546 H ALA 546 10.985 -3.205 4.764 105 HA ALA 546 HA ALA 546 11.782 -1.664 6.989 106 HB1 ALA 546 1HB ALA 546 10.856 -3.979 7.011 107 HB2 ALA 546 2HB ALA 546 12.365 -4.557 6.233 108 HB3 ALA 546 3HB ALA 546 12.404 -3.905 7.884 109 H ASN 547 H ASN 547 13.587 -3.208 4.498 110 HA ASN 547 HA ASN 547 16.263 -2.630 5.657 111 HB2 ASN 547 2HB ASN 547 14.851 -5.030 4.517 112 HB3 ASN 547 3HB ASN 547 16.455 -4.796 3.944 113 HD21 ASN 547 HD21 ASN 547 14.557 -5.698 6.709 114 HD22 ASN 547 HD22 ASN 547 15.948 -5.848 7.777 115 H ALA 548 H ALA 548 14.305 -1.183 3.669 116 HA ALA 548 HA ALA 548 15.604 -1.159 1.126 117 HB1 ALA 548 1HB ALA 548 13.248 -0.459 1.477 118 HB2 ALA 548 2HB ALA 548 13.820 0.978 2.364 119 HB3 ALA 548 3HB ALA 548 14.191 0.784 0.645 120 H ASP 549 H ASP 549 16.823 0.483 0.071 121 HA ASP 549 HA ASP 549 18.669 2.059 1.693 122 HB2 ASP 549 2HB ASP 549 19.282 1.095 -0.534 123 HB3 ASP 549 3HB ASP 549 18.146 2.196 -1.304 124 HA PRO 550 HA PRO 550 15.533 5.122 2.430 125 HB2 PRO 550 2HB PRO 550 17.009 7.268 3.269 126 HB3 PRO 550 3HB PRO 550 16.779 5.785 4.228 127 HG2 PRO 550 2HG PRO 550 19.119 6.422 2.394 128 HG3 PRO 550 3HG PRO 550 19.186 5.904 4.106 129 HD2 PRO 550 2HD PRO 550 19.472 4.102 2.168 130 HD3 PRO 550 3HD PRO 550 18.427 3.715 3.572 131 H ASN 551 H ASN 551 17.893 5.508 -0.017 132 HA ASN 551 HA ASN 551 16.840 8.114 -1.020 133 HB2 ASN 551 2HB ASN 551 19.094 6.391 -2.105 134 HB3 ASN 551 3HB ASN 551 18.712 8.046 -2.568 135 HD21 ASN 551 HD21 ASN 551 20.237 6.013 -0.180 136 HD22 ASN 551 HD22 ASN 551 21.024 7.370 0.672 137 H PHE 552 H PHE 552 16.948 4.671 -1.800 138 HA PHE 552 HA PHE 552 15.508 4.709 -4.307 139 HB2 PHE 552 2HB PHE 552 16.724 2.737 -3.712 140 HB3 PHE 552 3HB PHE 552 16.006 2.655 -2.126 141 HD1 PHE 552 1HD PHE 552 15.215 2.242 -5.744 142 HD2 PHE 552 2HD PHE 552 14.062 1.397 -1.687 143 HE1 PHE 552 1HE PHE 552 13.402 0.760 -6.563 144 HE2 PHE 552 2HE PHE 552 12.279 -0.131 -2.510 145 HZ PHE 552 HZ PHE 552 11.940 -0.427 -4.961 146 H VAL 553 H VAL 553 14.444 4.290 -0.868 147 HA VAL 553 HA VAL 553 11.697 4.097 -1.548 148 HB VAL 553 HB VAL 553 11.081 4.304 0.641 149 HG11 VAL 553 1HG1 VAL 553 12.583 2.359 -0.017 150 HG12 VAL 553 2HG1 VAL 553 13.904 3.225 0.813 151 HG13 VAL 553 3HG1 VAL 553 12.473 2.697 1.729 152 HG21 VAL 553 3HG2 VAL 553 12.551 4.927 2.525 153 HG22 VAL 553 1HG2 VAL 553 13.729 5.527 1.366 154 HG23 VAL 553 2HG2 VAL 553 12.140 6.318 1.500 155 H THR 554 H THR 554 13.669 6.881 -0.945 156 HA THR 554 HA THR 554 11.553 8.857 -0.848 157 HB THR 554 HB THR 554 14.554 9.212 -1.219 158 HG1 THR 554 1HG THR 554 14.233 8.383 0.770 159 HG21 THR 554 1HG2 THR 554 13.984 11.508 -0.268 160 HG22 THR 554 2HG2 THR 554 12.272 11.127 -0.618 161 HG23 THR 554 3HG2 THR 554 13.460 11.224 -1.938 162 H ALA 555 H ALA 555 13.956 7.934 -3.407 163 HA ALA 555 HA ALA 555 13.145 9.923 -5.282 164 HB1 ALA 555 1HB ALA 555 14.421 7.182 -5.699 165 HB2 ALA 555 2HB ALA 555 14.363 8.496 -6.895 166 HB3 ALA 555 3HB ALA 555 15.277 8.711 -5.396 167 H MET 556 H MET 556 11.591 7.016 -4.317 168 HA MET 556 HA MET 556 9.919 6.557 -6.636 169 HB2 MET 556 2HB MET 556 10.673 5.042 -4.717 170 HB3 MET 556 3HB MET 556 9.414 5.797 -3.733 171 HG2 MET 556 2HG MET 556 7.715 5.047 -5.371 172 HG3 MET 556 3HG MET 556 8.979 4.308 -6.350 173 HE1 MET 556 3HE MET 556 10.312 1.571 -3.678 174 HE2 MET 556 1HE MET 556 10.876 2.711 -4.931 175 HE3 MET 556 2HE MET 556 10.635 3.258 -3.243 176 H LEU 557 H LEU 557 9.697 8.804 -3.942 177 HA LEU 557 HA LEU 557 6.795 8.971 -3.942 178 HB2 LEU 557 2HB LEU 557 8.773 10.798 -2.539 179 HB3 LEU 557 3HB LEU 557 7.096 10.490 -2.096 180 HG LEU 557 HG LEU 557 9.424 8.540 -1.918 181 HD11 LEU 557 1HD1 LEU 557 9.176 8.695 0.454 182 HD12 LEU 557 2HD1 LEU 557 7.768 9.765 0.277 183 HD13 LEU 557 3HD1 LEU 557 9.377 10.329 -0.218 184 HD21 LEU 557 3HD2 LEU 557 7.853 7.027 -0.763 185 HD22 LEU 557 1HD2 LEU 557 7.323 7.295 -2.418 186 HD23 LEU 557 2HD2 LEU 557 6.512 8.147 -1.074 187 H THR 558 H THR 558 9.112 10.439 -5.829 188 HA THR 558 HA THR 558 8.516 13.042 -6.287 189 HB THR 558 HB THR 558 10.295 11.507 -7.231 190 HG1 THR 558 1HG THR 558 10.639 12.766 -8.995 191 HG21 THR 558 1HG2 THR 558 10.037 10.554 -9.421 192 HG22 THR 558 2HG2 THR 558 8.379 11.160 -9.571 193 HG23 THR 558 3HG2 THR 558 8.771 9.882 -8.390 194 H LYS 559 H LYS 559 6.366 10.465 -7.267 195 HA LYS 559 HA LYS 559 4.573 12.406 -8.700 196 HB2 LYS 559 2HB LYS 559 3.838 10.612 -10.114 197 HB3 LYS 559 3HB LYS 559 5.585 10.681 -10.185 198 HG2 LYS 559 2HG LYS 559 5.826 8.581 -9.407 199 HG3 LYS 559 3HG LYS 559 4.731 8.816 -8.060 200 HD2 LYS 559 2HD LYS 559 3.834 8.214 -10.904 201 HD3 LYS 559 3HD LYS 559 4.044 7.005 -9.628 202 HE2 LYS 559 2HE LYS 559 2.328 8.115 -8.243 203 HE3 LYS 559 3HE LYS 559 2.088 9.328 -9.524 204 HZ1 LYS 559 3HZ LYS 559 1.518 6.434 -9.723 205 HZ2 LYS 559 1HZ LYS 559 1.437 7.486 -11.001 206 HZ3 LYS 559 2HZ LYS 559 0.416 7.642 -9.746 207 H LEU 560 H LEU 560 4.643 11.221 -5.700 208 HA LEU 560 HA LEU 560 2.799 9.180 -5.863 209 HB2 LEU 560 2HB LEU 560 4.609 9.514 -4.146 210 HB3 LEU 560 3HB LEU 560 3.521 10.598 -3.273 211 HG LEU 560 HG LEU 560 1.937 8.764 -2.918 212 HD11 LEU 560 1HD1 LEU 560 3.833 7.228 -4.708 213 HD12 LEU 560 2HD1 LEU 560 2.102 7.479 -4.980 214 HD13 LEU 560 3HD1 LEU 560 2.597 6.434 -3.670 215 HD21 LEU 560 3HD2 LEU 560 4.646 7.477 -2.475 216 HD22 LEU 560 1HD2 LEU 560 3.161 7.288 -1.527 217 HD23 LEU 560 2HD2 LEU 560 4.047 8.825 -1.442 218 H LYS 561 H LYS 561 0.723 8.781 -5.020 219 HA LYS 561 HA LYS 561 -1.065 11.110 -5.540 220 HB2 LYS 561 2HB LYS 561 -0.529 8.882 -7.120 221 HB3 LYS 561 3HB LYS 561 -1.979 8.386 -6.284 222 HG2 LYS 561 2HG LYS 561 -2.895 9.370 -8.087 223 HG3 LYS 561 3HG LYS 561 -2.868 10.788 -7.047 224 HD2 LYS 561 2HD LYS 561 -0.765 10.079 -9.161 225 HD3 LYS 561 3HD LYS 561 -2.064 11.248 -9.379 226 HE2 LYS 561 2HE LYS 561 -1.138 12.679 -7.615 227 HE3 LYS 561 3HE LYS 561 0.135 11.495 -7.283 228 HZ1 LYS 561 3HZ LYS 561 1.036 11.870 -9.465 229 HZ2 LYS 561 1HZ LYS 561 0.908 13.288 -8.701 230 HZ3 LYS 561 2HZ LYS 561 -0.189 12.898 -9.874 231 H PHE 562 H PHE 562 -3.054 11.272 -4.683 232 HA PHE 562 HA PHE 562 -3.567 9.639 -2.229 233 HB2 PHE 562 2HB PHE 562 -3.224 11.365 -0.986 234 HB3 PHE 562 3HB PHE 562 -2.703 12.305 -2.363 235 HD1 PHE 562 1HD PHE 562 -4.323 13.930 -3.445 236 HD2 PHE 562 2HD PHE 562 -5.328 11.653 0.067 237 HE1 PHE 562 1HE PHE 562 -6.217 15.465 -2.993 238 HE2 PHE 562 2HE PHE 562 -7.200 13.215 0.549 239 HZ PHE 562 HZ PHE 562 -7.672 15.107 -1.002 240 H GLU 563 H GLU 563 -5.620 9.314 -1.425 241 HA GLU 563 HA GLU 563 -7.931 10.255 -3.028 242 HB2 GLU 563 2HB GLU 563 -7.079 8.066 -3.959 243 HB3 GLU 563 3HB GLU 563 -7.378 7.319 -2.392 244 HG2 GLU 563 2HG GLU 563 -9.149 6.850 -4.028 245 HG3 GLU 563 3HG GLU 563 -9.762 7.708 -2.617 246 H VAL 564 H VAL 564 -9.998 10.027 -1.929 247 HA VAL 564 HA VAL 564 -9.824 9.524 1.025 248 HB VAL 564 HB VAL 564 -11.586 11.628 -0.264 249 HG11 VAL 564 1HG1 VAL 564 -12.377 10.764 1.974 250 HG12 VAL 564 2HG1 VAL 564 -10.823 11.327 2.658 251 HG13 VAL 564 3HG1 VAL 564 -11.973 12.448 1.882 252 HG21 VAL 564 3HG2 VAL 564 -9.319 12.385 -0.514 253 HG22 VAL 564 1HG2 VAL 564 -10.009 13.242 0.891 254 HG23 VAL 564 2HG2 VAL 564 -8.908 11.858 1.141 255 H PHE 565 H PHE 565 -11.465 8.525 2.022 256 HA PHE 565 HA PHE 565 -13.922 7.872 0.464 257 HB2 PHE 565 2HB PHE 565 -12.418 6.053 2.376 258 HB3 PHE 565 3HB PHE 565 -14.055 5.761 1.815 259 HD1 PHE 565 1HD PHE 565 -10.505 6.160 0.575 260 HD2 PHE 565 2HD PHE 565 -14.474 4.629 -0.202 261 HE1 PHE 565 1HE PHE 565 -9.632 4.800 -1.318 262 HE2 PHE 565 2HE PHE 565 -13.573 3.236 -2.047 263 HZ PHE 565 HZ PHE 565 -11.139 3.288 -2.568 264 H GLN 566 H GLN 566 -15.809 7.956 1.509 265 HA GLN 566 HA GLN 566 -15.897 9.377 4.134 266 HB2 GLN 566 2HB GLN 566 -17.696 9.503 1.661 267 HB3 GLN 566 3HB GLN 566 -18.063 10.263 3.181 268 HG2 GLN 566 2HG GLN 566 -17.253 12.022 2.173 269 HG3 GLN 566 3HG GLN 566 -15.861 11.466 3.089 270 HE21 GLN 566 HE21 GLN 566 -14.863 12.936 1.441 271 HE22 GLN 566 HE22 GLN 566 -14.505 12.206 -0.109 272 HA PRO 567 HA PRO 567 -17.471 6.393 6.348 273 HB2 PRO 567 2HB PRO 567 -20.172 7.589 6.942 274 HB3 PRO 567 3HB PRO 567 -18.904 7.013 8.074 275 HG2 PRO 567 2HG PRO 567 -19.196 9.664 7.587 276 HG3 PRO 567 3HG PRO 567 -17.562 8.932 7.659 277 HD2 PRO 567 2HD PRO 567 -19.181 9.620 5.216 278 HD3 PRO 567 3HD PRO 567 -17.454 9.938 5.561 279 H GLY 568 H GLY 568 -18.041 4.355 6.114 280 HA2 GLY 568 2HA GLY 568 -19.603 2.590 6.074 281 HA3 GLY 568 3HA GLY 568 -20.656 3.527 5.007 282 H ASP 569 H ASP 569 -17.879 4.226 3.559 283 HA ASP 569 HA ASP 569 -18.599 2.386 1.543 284 HB2 ASP 569 2HB ASP 569 -18.131 4.889 1.352 285 HB3 ASP 569 3HB ASP 569 -16.417 4.481 1.350 286 H TYR 570 H TYR 570 -17.707 0.507 0.994 287 HA TYR 570 HA TYR 570 -15.415 -0.653 2.277 288 HB2 TYR 570 2HB TYR 570 -17.053 -1.430 -0.142 289 HB3 TYR 570 3HB TYR 570 -15.639 -2.345 0.353 290 HD1 TYR 570 HD1 TYR 570 -15.524 -3.293 2.709 291 HD2 TYR 570 HD2 TYR 570 -19.172 -1.941 0.864 292 HE1 TYR 570 HE1 TYR 570 -16.854 -4.682 4.316 293 HE2 TYR 570 HE2 TYR 570 -20.490 -3.380 2.412 294 HH TYR 570 HH TYR 570 -20.399 -4.987 4.035 295 H ILE 571 H ILE 571 -13.276 -0.391 1.897 296 HA ILE 571 HA ILE 571 -12.542 1.422 -0.293 297 HB ILE 571 HB ILE 571 -10.339 1.619 0.844 298 HG12 ILE 571 2HG1 ILE 571 -10.210 1.145 3.277 299 HG13 ILE 571 3HG1 ILE 571 -11.650 0.180 3.193 300 HG21 ILE 571 1HG2 ILE 571 -12.275 3.109 1.206 301 HG22 ILE 571 2HG2 ILE 571 -12.723 2.167 2.635 302 HG23 ILE 571 3HG2 ILE 571 -11.164 3.033 2.580 303 HD11 ILE 571 3HD1 ILE 571 -9.049 -0.361 1.749 304 HD12 ILE 571 1HD1 ILE 571 -9.591 -1.162 3.240 305 HD13 ILE 571 2HD1 ILE 571 -10.499 -1.417 1.746 306 H ILE 572 H ILE 572 -12.259 -1.948 0.136 307 HA ILE 572 HA ILE 572 -10.333 -2.253 -2.097 308 HB ILE 572 HB ILE 572 -10.707 -3.429 0.645 309 HG12 ILE 572 2HG1 ILE 572 -8.308 -2.778 -1.077 310 HG13 ILE 572 3HG1 ILE 572 -9.101 -1.592 -0.132 311 HG21 ILE 572 1HG2 ILE 572 -9.413 -5.013 -1.583 312 HG22 ILE 572 2HG2 ILE 572 -9.255 -5.311 0.167 313 HG23 ILE 572 3HG2 ILE 572 -10.822 -5.486 -0.616 314 HD11 ILE 572 3HD1 ILE 572 -7.457 -2.046 1.296 315 HD12 ILE 572 1HD1 ILE 572 -8.655 -3.140 1.927 316 HD13 ILE 572 2HD1 ILE 572 -7.328 -3.789 0.885 317 H ARG 573 H ARG 573 -10.754 -3.479 -3.727 318 HA ARG 573 HA ARG 573 -12.007 -5.948 -3.576 319 HB2 ARG 573 2HB ARG 573 -14.137 -4.395 -3.765 320 HB3 ARG 573 3HB ARG 573 -13.644 -4.150 -5.420 321 HG2 ARG 573 2HG ARG 573 -15.330 -5.892 -5.270 322 HG3 ARG 573 3HG ARG 573 -13.818 -6.588 -5.839 323 HD2 ARG 573 2HD ARG 573 -14.973 -8.061 -4.237 324 HD3 ARG 573 3HD ARG 573 -13.387 -7.576 -3.641 325 HE ARG 573 HE ARG 573 -15.446 -5.808 -2.634 326 HH11 ARG 573 1HH1 ARG 573 -14.010 -8.979 -1.994 327 HH12 ARG 573 2HH1 ARG 573 -14.517 -8.944 -0.342 328 HH21 ARG 573 1HH2 ARG 573 -16.006 -5.827 -0.603 329 HH22 ARG 573 2HH2 ARG 573 -15.616 -7.192 0.464 330 H GLU 574 H GLU 574 -10.678 -7.056 -4.842 331 HA GLU 574 HA GLU 574 -9.502 -5.876 -7.308 332 HB2 GLU 574 2HB GLU 574 -8.122 -6.983 -5.386 333 HB3 GLU 574 3HB GLU 574 -8.724 -8.492 -6.045 334 HG2 GLU 574 2HG GLU 574 -7.761 -7.192 -8.327 335 HG3 GLU 574 3HG GLU 574 -6.699 -6.553 -7.088 336 H GLY 575 H GLY 575 -9.191 -7.662 -9.086 337 HA2 GLY 575 2HA GLY 575 -11.175 -9.706 -9.444 338 HA3 GLY 575 3HA GLY 575 -11.685 -8.239 -10.283 339 H THR 576 H THR 576 -8.421 -8.044 -10.464 340 HA THR 576 HA THR 576 -7.723 -9.980 -12.447 341 HB THR 576 HB THR 576 -9.029 -8.621 -13.935 342 HG1 THR 576 1HG THR 576 -7.467 -8.113 -15.432 343 HG21 THR 576 1HG2 THR 576 -8.455 -6.304 -14.500 344 HG22 THR 576 2HG2 THR 576 -7.184 -6.293 -13.258 345 HG23 THR 576 3HG2 THR 576 -8.899 -6.421 -12.800 346 H ILE 577 H ILE 577 -5.518 -9.656 -13.127 347 HA ILE 577 HA ILE 577 -3.985 -9.042 -10.703 348 HB ILE 577 HB ILE 577 -3.321 -10.394 -13.332 349 HG12 ILE 577 2HG1 ILE 577 -2.746 -12.311 -11.908 350 HG13 ILE 577 3HG1 ILE 577 -3.123 -11.386 -10.461 351 HG21 ILE 577 1HG2 ILE 577 -1.048 -10.835 -12.544 352 HG22 ILE 577 2HG2 ILE 577 -1.298 -9.121 -12.807 353 HG23 ILE 577 3HG2 ILE 577 -1.305 -9.765 -11.145 354 HD11 ILE 577 3HD1 ILE 577 -4.853 -13.062 -11.137 355 HD12 ILE 577 1HD1 ILE 577 -5.485 -11.419 -10.967 356 HD13 ILE 577 2HD1 ILE 577 -5.174 -12.096 -12.590 357 H GLY 578 H GLY 578 -2.410 -7.538 -10.422 358 HA2 GLY 578 2HA GLY 578 -0.700 -6.087 -11.311 359 HA3 GLY 578 3HA GLY 578 -1.747 -5.648 -12.649 360 H LYS 579 H LYS 579 -3.211 -5.700 -9.455 361 HA LYS 579 HA LYS 579 -3.809 -2.855 -9.654 362 HB2 LYS 579 2HB LYS 579 -5.414 -4.592 -8.887 363 HB3 LYS 579 3HB LYS 579 -4.470 -4.799 -7.408 364 HG2 LYS 579 2HG LYS 579 -4.954 -2.550 -6.692 365 HG3 LYS 579 3HG LYS 579 -5.585 -2.105 -8.277 366 HD2 LYS 579 2HD LYS 579 -7.487 -3.683 -7.955 367 HD3 LYS 579 3HD LYS 579 -6.875 -4.100 -6.352 368 HE2 LYS 579 2HE LYS 579 -7.024 -1.680 -5.688 369 HE3 LYS 579 3HE LYS 579 -7.668 -1.301 -7.294 370 HZ1 LYS 579 3HZ LYS 579 -9.536 -2.778 -6.810 371 HZ2 LYS 579 1HZ LYS 579 -9.456 -1.552 -5.731 372 HZ3 LYS 579 2HZ LYS 579 -8.950 -3.077 -5.293 373 H LYS 580 H LYS 580 -3.489 -1.344 -7.873 374 HA LYS 580 HA LYS 580 -0.618 -1.087 -7.460 375 HB2 LYS 580 2HB LYS 580 -2.748 0.871 -6.540 376 HB3 LYS 580 3HB LYS 580 -1.101 1.211 -7.033 377 HG2 LYS 580 2HG LYS 580 -3.477 0.539 -8.803 378 HG3 LYS 580 3HG LYS 580 -2.595 2.061 -8.672 379 HD2 LYS 580 2HD LYS 580 -0.545 0.799 -9.521 380 HD3 LYS 580 3HD LYS 580 -1.620 -0.528 -9.955 381 HE2 LYS 580 2HE LYS 580 -1.956 2.349 -10.931 382 HE3 LYS 580 3HE LYS 580 -1.163 1.071 -11.861 383 HZ1 LYS 580 3HZ LYS 580 -3.246 -0.127 -11.961 384 HZ2 LYS 580 1HZ LYS 580 -3.556 1.392 -12.448 385 HZ3 LYS 580 2HZ LYS 580 -4.001 0.944 -10.965 386 H MET 581 H MET 581 0.081 0.100 -5.394 387 HA MET 581 HA MET 581 -0.858 -1.452 -3.009 388 HB2 MET 581 2HB MET 581 1.540 -1.439 -3.577 389 HB3 MET 581 3HB MET 581 1.604 0.308 -3.342 390 HG2 MET 581 2HG MET 581 0.591 -1.508 -1.137 391 HG3 MET 581 3HG MET 581 2.320 -1.372 -1.441 392 HE1 MET 581 3HE MET 581 1.556 0.660 1.890 393 HE2 MET 581 1HE MET 581 0.533 -0.659 1.276 394 HE3 MET 581 2HE MET 581 2.303 -0.809 1.216 395 H TYR 582 H TYR 582 -1.636 -0.434 -1.089 396 HA TYR 582 HA TYR 582 -2.253 2.469 -1.246 397 HB2 TYR 582 2HB TYR 582 -4.311 0.373 -0.460 398 HB3 TYR 582 3HB TYR 582 -4.528 2.105 -0.486 399 HD1 TYR 582 HD1 TYR 582 -4.022 -0.905 -2.644 400 HD2 TYR 582 HD2 TYR 582 -5.128 3.265 -2.492 401 HE1 TYR 582 HE1 TYR 582 -4.717 -0.993 -5.026 402 HE2 TYR 582 HE2 TYR 582 -5.813 3.166 -4.871 403 HH TYR 582 HH TYR 582 -5.809 1.924 -6.782 404 H PHE 583 H PHE 583 -2.435 3.579 0.757 405 HA PHE 583 HA PHE 583 -2.298 2.024 3.232 406 HB2 PHE 583 2HB PHE 583 -0.254 2.975 4.083 407 HB3 PHE 583 3HB PHE 583 0.020 2.083 2.628 408 HD1 PHE 583 2HD PHE 583 0.722 3.165 0.536 409 HD2 PHE 583 1HD PHE 583 0.198 5.419 4.164 410 HE1 PHE 583 2HE PHE 583 2.367 4.834 -0.275 411 HE2 PHE 583 1HE PHE 583 1.837 7.104 3.345 412 HZ PHE 583 HZ PHE 583 3.004 6.759 1.168 413 H ILE 584 H ILE 584 -2.470 3.235 5.238 414 HA ILE 584 HA ILE 584 -4.520 5.324 4.789 415 HB ILE 584 HB ILE 584 -3.806 4.019 7.441 416 HG12 ILE 584 2HG1 ILE 584 -5.732 3.026 5.302 417 HG13 ILE 584 3HG1 ILE 584 -4.276 2.209 5.864 418 HG21 ILE 584 1HG2 ILE 584 -6.087 4.712 8.058 419 HG22 ILE 584 2HG2 ILE 584 -5.256 6.126 7.418 420 HG23 ILE 584 3HG2 ILE 584 -6.428 5.259 6.411 421 HD11 ILE 584 3HD1 ILE 584 -5.933 1.072 6.942 422 HD12 ILE 584 1HD1 ILE 584 -5.377 2.217 8.190 423 HD13 ILE 584 2HD1 ILE 584 -6.887 2.539 7.314 424 H GLN 585 H GLN 585 -4.105 7.462 4.925 425 HA GLN 585 HA GLN 585 -1.576 8.305 6.230 426 HB2 GLN 585 2HB GLN 585 -2.091 9.018 3.953 427 HB3 GLN 585 3HB GLN 585 -3.530 9.871 4.504 428 HG2 GLN 585 2HG GLN 585 -0.720 10.491 5.528 429 HG3 GLN 585 3HG GLN 585 -1.411 11.256 4.101 430 HE21 GLN 585 HE21 GLN 585 -1.200 11.480 7.523 431 HE22 GLN 585 HE22 GLN 585 -2.368 12.801 7.662 432 H HIS 586 H HIS 586 -5.016 9.357 6.320 433 HA HIS 586 HA HIS 586 -4.832 9.524 9.286 434 HB2 HIS 586 2HB HIS 586 -4.337 11.788 8.216 435 HB3 HIS 586 3HB HIS 586 -6.010 11.816 7.682 436 HD1 HIS 586 1HD HIS 586 -7.859 11.717 9.896 437 HD2 HIS 586 2HD HIS 586 -3.799 12.606 10.590 438 HE1 HIS 586 1HE HIS 586 -7.711 12.639 12.270 439 H GLY 587 H GLY 587 -6.461 8.230 10.066 440 HA2 GLY 587 2HA GLY 587 -8.955 9.033 10.379 441 HA3 GLY 587 3HA GLY 587 -9.132 8.213 8.833 442 H VAL 588 H VAL 588 -10.477 6.635 9.715 443 HA VAL 588 HA VAL 588 -9.111 4.414 11.059 444 HB VAL 588 HB VAL 588 -11.763 5.562 12.062 445 HG11 VAL 588 1HG1 VAL 588 -11.834 3.126 12.259 446 HG12 VAL 588 2HG1 VAL 588 -10.220 3.129 13.022 447 HG13 VAL 588 3HG1 VAL 588 -11.621 3.849 13.844 448 HG21 VAL 588 3HG2 VAL 588 -9.056 5.354 13.444 449 HG22 VAL 588 1HG2 VAL 588 -9.872 6.854 12.939 450 HG23 VAL 588 2HG2 VAL 588 -10.573 5.870 14.213 451 H VAL 589 H VAL 589 -10.006 2.377 10.504 452 HA VAL 589 HA VAL 589 -12.422 2.310 8.753 453 HB VAL 589 HB VAL 589 -11.461 0.469 7.450 454 HG11 VAL 589 1HG1 VAL 589 -9.655 2.898 7.228 455 HG12 VAL 589 2HG1 VAL 589 -10.236 1.814 5.936 456 HG13 VAL 589 3HG1 VAL 589 -11.355 2.910 6.731 457 HG21 VAL 589 3HG2 VAL 589 -8.821 1.133 8.808 458 HG22 VAL 589 1HG2 VAL 589 -9.757 -0.370 8.970 459 HG23 VAL 589 2HG2 VAL 589 -9.040 0.050 7.416 460 H SER 590 H SER 590 -13.643 0.414 8.865 461 HA SER 590 HA SER 590 -13.221 -1.351 11.259 462 HB2 SER 590 2HB SER 590 -15.924 -0.440 10.141 463 HB3 SER 590 3HB SER 590 -15.663 -1.819 11.245 464 HG SER 590 HG SER 590 -15.856 0.826 11.849 465 H VAL 591 H VAL 591 -13.149 -3.382 10.729 466 HA VAL 591 HA VAL 591 -12.734 -3.951 7.851 467 HB VAL 591 HB VAL 591 -10.824 -2.750 8.717 468 HG11 VAL 591 1HG1 VAL 591 -11.240 -2.744 11.020 469 HG12 VAL 591 2HG1 VAL 591 -11.116 -4.559 11.090 470 HG13 VAL 591 3HG1 VAL 591 -9.679 -3.518 10.869 471 HG21 VAL 591 3HG2 VAL 591 -10.177 -5.001 7.762 472 HG22 VAL 591 1HG2 VAL 591 -9.074 -4.210 8.943 473 HG23 VAL 591 2HG2 VAL 591 -10.126 -5.551 9.495 474 H LEU 592 H LEU 592 -12.600 -6.183 7.333 475 HA LEU 592 HA LEU 592 -12.731 -7.965 9.708 476 HB2 LEU 592 2HB LEU 592 -13.824 -8.578 6.894 477 HB3 LEU 592 3HB LEU 592 -13.815 -9.668 8.255 478 HG LEU 592 HG LEU 592 -16.009 -9.039 7.886 479 HD11 LEU 592 1HD1 LEU 592 -15.212 -7.298 10.221 480 HD12 LEU 592 2HD1 LEU 592 -15.271 -9.084 10.275 481 HD13 LEU 592 3HD1 LEU 592 -16.745 -8.145 9.964 482 HD21 LEU 592 3HD2 LEU 592 -15.383 -6.080 8.114 483 HD22 LEU 592 1HD2 LEU 592 -16.953 -6.840 7.826 484 HD23 LEU 592 2HD2 LEU 592 -15.684 -6.959 6.598 485 H THR 593 H THR 593 -10.863 -9.143 9.911 486 HA THR 593 HA THR 593 -9.270 -9.620 7.430 487 HB THR 593 HB THR 593 -7.809 -10.992 9.026 488 HG1 THR 593 1HG THR 593 -7.851 -10.211 11.128 489 HG21 THR 593 1HG2 THR 593 -8.117 -7.961 9.091 490 HG22 THR 593 2HG2 THR 593 -7.162 -8.918 7.948 491 HG23 THR 593 3HG2 THR 593 -6.656 -8.860 9.638 492 H LYS 594 H LYS 594 -9.106 -11.471 6.324 493 HA LYS 594 HA LYS 594 -11.523 -13.103 6.488 494 HB2 LYS 594 2HB LYS 594 -10.557 -14.280 4.488 495 HB3 LYS 594 3HB LYS 594 -11.096 -12.626 4.312 496 HG2 LYS 594 2HG LYS 594 -8.178 -13.062 4.866 497 HG3 LYS 594 3HG LYS 594 -8.814 -13.552 3.288 498 HD2 LYS 594 2HD LYS 594 -9.761 -11.287 2.923 499 HD3 LYS 594 3HD LYS 594 -9.121 -10.760 4.477 500 HE2 LYS 594 2HE LYS 594 -7.637 -9.988 2.770 501 HE3 LYS 594 3HE LYS 594 -6.812 -11.240 3.689 502 HZ1 LYS 594 3HZ LYS 594 -7.220 -12.798 1.914 503 HZ2 LYS 594 1HZ LYS 594 -6.551 -11.465 1.261 504 HZ3 LYS 594 2HZ LYS 594 -8.165 -11.723 1.070 505 H GLY 595 H GLY 595 -11.793 -15.142 7.074 506 HA2 GLY 595 2HA GLY 595 -11.213 -17.162 8.251 507 HA3 GLY 595 3HA GLY 595 -9.552 -16.543 8.434 508 H ASN 596 H ASN 596 -11.028 -13.892 9.366 509 HA ASN 596 HA ASN 596 -10.308 -14.717 12.146 510 HB2 ASN 596 2HB ASN 596 -9.271 -12.428 10.500 511 HB3 ASN 596 3HB ASN 596 -8.624 -12.988 11.999 512 HD21 ASN 596 HD21 ASN 596 -6.923 -12.497 9.964 513 HD22 ASN 596 HD22 ASN 596 -6.327 -14.040 9.394 514 H LYS 597 H LYS 597 -10.093 -11.417 12.039 515 HA LYS 597 HA LYS 597 -12.458 -11.421 13.800 516 HB2 LYS 597 2HB LYS 597 -9.820 -9.917 13.892 517 HB3 LYS 597 3HB LYS 597 -11.206 -9.388 14.823 518 HG2 LYS 597 2HG LYS 597 -9.868 -10.636 16.294 519 HG3 LYS 597 3HG LYS 597 -11.334 -11.547 15.992 520 HD2 LYS 597 2HD LYS 597 -9.398 -13.011 16.134 521 HD3 LYS 597 3HD LYS 597 -10.127 -13.103 14.543 522 HE2 LYS 597 2HE LYS 597 -7.772 -13.104 14.232 523 HE3 LYS 597 3HE LYS 597 -8.308 -11.508 13.714 524 HZ1 LYS 597 3HZ LYS 597 -7.487 -10.609 15.807 525 HZ2 LYS 597 1HZ LYS 597 -6.310 -11.573 15.164 526 HZ3 LYS 597 2HZ LYS 597 -7.205 -12.113 16.418 527 H GLU 598 H GLU 598 -13.899 -9.851 14.068 528 HA GLU 598 HA GLU 598 -14.051 -7.751 12.016 529 HB2 GLU 598 2HB GLU 598 -16.181 -7.101 12.815 530 HB3 GLU 598 3HB GLU 598 -16.181 -8.861 12.573 531 HG2 GLU 598 2HG GLU 598 -15.540 -8.865 15.177 532 HG3 GLU 598 3HG GLU 598 -16.263 -7.260 15.104 533 H MET 599 H MET 599 -12.893 -6.139 12.265 534 HA MET 599 HA MET 599 -11.787 -5.262 14.862 535 HB2 MET 599 2HB MET 599 -10.564 -6.999 13.873 536 HB3 MET 599 3HB MET 599 -10.621 -6.237 12.296 537 HG2 MET 599 2HG MET 599 -9.071 -4.562 12.959 538 HG3 MET 599 3HG MET 599 -9.203 -5.004 14.674 539 HE1 MET 599 3HE MET 599 -8.238 -6.311 11.115 540 HE2 MET 599 1HE MET 599 -7.380 -7.823 11.512 541 HE3 MET 599 2HE MET 599 -9.131 -7.674 11.816 542 H LYS 600 H LYS 600 -10.548 -3.235 14.771 543 HA LYS 600 HA LYS 600 -11.189 -1.492 12.573 544 HB2 LYS 600 2HB LYS 600 -11.447 -1.189 15.420 545 HB3 LYS 600 3HB LYS 600 -9.858 -0.531 15.140 546 HG2 LYS 600 2HG LYS 600 -11.280 1.296 15.101 547 HG3 LYS 600 3HG LYS 600 -10.886 0.957 13.405 548 HD2 LYS 600 2HD LYS 600 -13.254 1.474 13.559 549 HD3 LYS 600 3HD LYS 600 -13.059 -0.258 13.200 550 HE2 LYS 600 2HE LYS 600 -13.629 -0.921 15.391 551 HE3 LYS 600 3HE LYS 600 -13.380 0.699 16.051 552 HZ1 LYS 600 3HZ LYS 600 -15.365 1.452 15.005 553 HZ2 LYS 600 1HZ LYS 600 -15.741 0.049 15.757 554 HZ3 LYS 600 2HZ LYS 600 -15.549 0.061 14.126 555 H LEU 601 H LEU 601 -9.640 -0.248 11.632 556 HA LEU 601 HA LEU 601 -6.786 -0.712 12.331 557 HB2 LEU 601 2HB LEU 601 -8.013 -1.356 9.768 558 HB3 LEU 601 3HB LEU 601 -6.880 -0.023 9.574 559 HG LEU 601 HG LEU 601 -5.120 -1.467 10.682 560 HD11 LEU 601 1HD1 LEU 601 -5.572 -3.926 10.674 561 HD12 LEU 601 2HD1 LEU 601 -7.271 -3.593 10.258 562 HD13 LEU 601 3HD1 LEU 601 -6.617 -3.081 11.820 563 HD21 LEU 601 3HD2 LEU 601 -4.761 -2.825 8.656 564 HD22 LEU 601 1HD2 LEU 601 -5.312 -1.203 8.213 565 HD23 LEU 601 2HD2 LEU 601 -6.448 -2.571 8.163 566 H SER 602 H SER 602 -5.515 1.106 12.236 567 HA SER 602 HA SER 602 -6.941 3.727 11.984 568 HB2 SER 602 2HB SER 602 -5.514 4.472 13.918 569 HB3 SER 602 3HB SER 602 -6.778 3.295 14.280 570 HG SER 602 HG SER 602 -5.359 1.986 14.953 571 H ASP 603 H ASP 603 -5.470 5.615 11.949 572 HA ASP 603 HA ASP 603 -4.145 5.778 9.554 573 HB2 ASP 603 2HB ASP 603 -3.442 7.933 10.243 574 HB3 ASP 603 3HB ASP 603 -5.018 7.645 10.966 575 H GLY 604 H GLY 604 -2.033 5.738 8.738 576 HA2 GLY 604 2HA GLY 604 0.207 5.236 8.665 577 HA3 GLY 604 3HA GLY 604 0.251 5.028 10.416 578 H SER 605 H SER 605 -2.260 3.094 9.445 579 HA SER 605 HA SER 605 -0.718 0.595 9.151 580 HB2 SER 605 2HB SER 605 -3.682 1.126 8.774 581 HB3 SER 605 3HB SER 605 -2.907 -0.463 8.916 582 HG SER 605 HG SER 605 -3.310 1.540 10.855 583 H TYR 606 H TYR 606 -1.261 -0.851 7.216 584 HA TYR 606 HA TYR 606 -1.930 0.688 4.767 585 HB2 TYR 606 2HB TYR 606 -0.133 -0.089 3.517 586 HB3 TYR 606 3HB TYR 606 0.567 0.517 5.004 587 HD1 TYR 606 HD2 TYR 606 1.241 -1.146 6.793 588 HD2 TYR 606 HD1 TYR 606 0.084 -2.348 2.838 589 HE1 TYR 606 HE2 TYR 606 2.344 -3.399 7.143 590 HE2 TYR 606 HE1 TYR 606 1.157 -4.573 3.170 591 HH TYR 606 HH TYR 606 2.376 -5.914 4.586 592 H PHE 607 H PHE 607 -2.260 -0.700 2.834 593 HA PHE 607 HA PHE 607 -4.063 -2.947 3.554 594 HB2 PHE 607 2HB PHE 607 -4.203 -0.721 1.494 595 HB3 PHE 607 3HB PHE 607 -5.261 -2.105 1.447 596 HD1 PHE 607 1HD PHE 607 -6.223 -2.616 4.075 597 HD2 PHE 607 2HD PHE 607 -5.403 1.166 2.161 598 HE1 PHE 607 1HE PHE 607 -7.941 -1.537 5.473 599 HE2 PHE 607 2HE PHE 607 -7.144 2.236 3.568 600 HZ PHE 607 HZ PHE 607 -8.392 0.909 5.227 601 H GLY 608 H GLY 608 -4.649 -4.275 1.782 602 HA2 GLY 608 2HA GLY 608 -2.454 -5.572 0.486 603 HA3 GLY 608 3HA GLY 608 -4.199 -5.931 0.403 604 H GLU 609 H GLU 609 -4.628 -6.226 -1.624 605 HA GLU 609 HA GLU 609 -5.029 -6.006 -3.813 606 HB2 GLU 609 2HB GLU 609 -4.352 -3.076 -3.588 607 HB3 GLU 609 3HB GLU 609 -5.256 -3.871 -4.854 608 HG2 GLU 609 2HG GLU 609 -6.158 -3.626 -1.953 609 HG3 GLU 609 3HG GLU 609 -6.672 -2.591 -3.278 610 H ILE 610 H ILE 610 -2.015 -4.540 -2.898 611 HA ILE 610 HA ILE 610 -0.146 -4.346 -4.610 612 HB ILE 610 HB ILE 610 -0.223 -6.379 -2.376 613 HG12 ILE 610 2HG1 ILE 610 1.306 -3.794 -2.523 614 HG13 ILE 610 3HG1 ILE 610 -0.384 -3.811 -2.060 615 HG21 ILE 610 1HG2 ILE 610 2.271 -6.457 -2.351 616 HG22 ILE 610 2HG2 ILE 610 1.616 -7.260 -3.746 617 HG23 ILE 610 3HG2 ILE 610 2.296 -5.617 -3.910 618 HD11 ILE 610 3HD1 ILE 610 0.941 -3.772 -0.058 619 HD12 ILE 610 1HD1 ILE 610 0.137 -5.347 -0.170 620 HD13 ILE 610 2HD1 ILE 610 1.868 -5.195 -0.555 621 H CYS 611 H CYS 611 -0.057 -4.901 -6.673 622 HA CYS 611 HA CYS 611 1.322 -7.524 -6.809 623 HB2 CYS 611 2HB CYS 611 1.720 -7.202 -9.140 624 HB3 CYS 611 3HB CYS 611 -0.016 -7.044 -8.859 625 HG CYS 611 HG CYS 611 0.061 -4.365 -8.686 626 H LEU 612 H LEU 612 3.595 -7.306 -7.180 627 HA LEU 612 HA LEU 612 5.166 -5.190 -7.747 628 HB2 LEU 612 2HB LEU 612 4.651 -5.265 -4.781 629 HB3 LEU 612 3HB LEU 612 6.332 -5.148 -5.253 630 HG LEU 612 HG LEU 612 4.222 -3.109 -6.032 631 HD11 LEU 612 1HD1 LEU 612 6.490 -3.080 -4.029 632 HD12 LEU 612 2HD1 LEU 612 4.753 -3.210 -3.659 633 HD13 LEU 612 3HD1 LEU 612 5.392 -1.727 -4.405 634 HD21 LEU 612 3HD2 LEU 612 6.064 -1.726 -6.793 635 HD22 LEU 612 1HD2 LEU 612 6.044 -3.221 -7.732 636 HD23 LEU 612 2HD2 LEU 612 7.230 -3.012 -6.420 637 H LEU 613 H LEU 613 5.353 -7.536 -5.111 638 HA LEU 613 HA LEU 613 7.331 -9.230 -6.570 639 HB2 LEU 613 2HB LEU 613 8.061 -9.957 -4.292 640 HB3 LEU 613 3HB LEU 613 8.424 -8.304 -4.751 641 HG LEU 613 HG LEU 613 6.712 -7.417 -3.280 642 HD11 LEU 613 1HD1 LEU 613 4.953 -9.103 -3.346 643 HD12 LEU 613 2HD1 LEU 613 5.491 -8.900 -1.682 644 HD13 LEU 613 3HD1 LEU 613 6.044 -10.307 -2.615 645 HD21 LEU 613 3HD2 LEU 613 7.671 -8.095 -1.126 646 HD22 LEU 613 1HD2 LEU 613 8.940 -7.946 -2.348 647 HD23 LEU 613 2HD2 LEU 613 8.354 -9.556 -1.861 648 H THR 614 H THR 614 4.390 -9.199 -6.589 649 HA THR 614 HA THR 614 3.882 -12.064 -6.347 650 HB THR 614 HB THR 614 3.198 -10.874 -4.114 651 HG1 THR 614 1HG THR 614 1.060 -12.171 -4.429 652 HG21 THR 614 1HG2 THR 614 1.068 -9.913 -3.941 653 HG22 THR 614 2HG2 THR 614 0.687 -10.191 -5.652 654 HG23 THR 614 3HG2 THR 614 1.936 -9.013 -5.189 655 H ARG 615 H ARG 615 1.947 -12.694 -7.333 656 HA ARG 615 HA ARG 615 0.122 -10.859 -8.568 657 HB2 ARG 615 2HB ARG 615 0.253 -11.740 -10.879 658 HB3 ARG 615 3HB ARG 615 1.631 -10.771 -10.389 659 HG2 ARG 615 2HG ARG 615 2.875 -13.012 -9.977 660 HG3 ARG 615 3HG ARG 615 1.501 -13.793 -10.769 661 HD2 ARG 615 2HD ARG 615 3.254 -13.429 -12.409 662 HD3 ARG 615 3HD ARG 615 1.899 -12.346 -12.783 663 HE ARG 615 HE ARG 615 3.947 -11.155 -11.058 664 HH11 ARG 615 1HH1 ARG 615 3.398 -11.792 -14.480 665 HH12 ARG 615 2HH1 ARG 615 4.383 -10.409 -14.930 666 HH21 ARG 615 1HH2 ARG 615 4.770 -9.257 -11.733 667 HH22 ARG 615 2HH2 ARG 615 4.991 -8.936 -13.442 668 H GLY 616 H GLY 616 -1.844 -11.690 -8.671 669 HA2 GLY 616 2HA GLY 616 -2.944 -14.051 -9.276 670 HA3 GLY 616 3HA GLY 616 -2.339 -14.433 -7.663 671 H ARG 617 H ARG 617 -5.074 -14.403 -8.530 672 HA ARG 617 HA ARG 617 -6.575 -12.061 -7.980 673 HB2 ARG 617 2HB ARG 617 -7.312 -15.008 -7.648 674 HB3 ARG 617 3HB ARG 617 -8.479 -13.701 -7.602 675 HG2 ARG 617 2HG ARG 617 -6.713 -14.341 -10.009 676 HG3 ARG 617 3HG ARG 617 -8.356 -14.926 -9.786 677 HD2 ARG 617 2HD ARG 617 -7.604 -11.976 -9.921 678 HD3 ARG 617 3HD ARG 617 -8.168 -12.925 -11.290 679 HE ARG 617 HE ARG 617 -9.747 -12.042 -8.932 680 HH11 ARG 617 1HH1 ARG 617 -9.833 -13.917 -11.944 681 HH12 ARG 617 2HH1 ARG 617 -11.552 -13.721 -12.080 682 HH21 ARG 617 1HH2 ARG 617 -11.978 -12.140 -9.057 683 HH22 ARG 617 2HH2 ARG 617 -12.723 -12.807 -10.488 684 H ARG 618 H ARG 618 -7.230 -11.024 -6.298 685 HA ARG 618 HA ARG 618 -7.038 -12.197 -3.519 686 HB2 ARG 618 2HB ARG 618 -5.438 -10.391 -4.150 687 HB3 ARG 618 3HB ARG 618 -6.792 -9.297 -4.431 688 HG2 ARG 618 2HG ARG 618 -7.424 -9.466 -2.033 689 HG3 ARG 618 3HG ARG 618 -6.103 -10.625 -1.771 690 HD2 ARG 618 2HD ARG 618 -4.494 -8.832 -2.488 691 HD3 ARG 618 3HD ARG 618 -5.856 -7.711 -2.637 692 HE ARG 618 HE ARG 618 -4.757 -8.906 -0.127 693 HH11 ARG 618 1HH1 ARG 618 -7.222 -6.643 -1.391 694 HH12 ARG 618 2HH1 ARG 618 -7.676 -6.279 0.260 695 HH21 ARG 618 1HH2 ARG 618 -5.175 -8.040 1.728 696 HH22 ARG 618 2HH2 ARG 618 -6.596 -7.027 1.982 697 H THR 619 H THR 619 -8.650 -11.695 -1.935 698 HA THR 619 HA THR 619 -10.576 -9.596 -2.564 699 HB THR 619 HB THR 619 -11.633 -11.771 -3.361 700 HG1 THR 619 1HG THR 619 -13.557 -11.039 -2.730 701 HG21 THR 619 1HG2 THR 619 -11.044 -13.178 -1.361 702 HG22 THR 619 2HG2 THR 619 -12.772 -13.157 -1.748 703 HG23 THR 619 3HG2 THR 619 -12.167 -12.196 -0.388 704 H ALA 620 H ALA 620 -11.597 -8.652 -0.720 705 HA ALA 620 HA ALA 620 -11.351 -9.688 1.918 706 HB1 ALA 620 1HB ALA 620 -9.892 -8.017 2.928 707 HB2 ALA 620 2HB ALA 620 -8.985 -8.824 1.640 708 HB3 ALA 620 3HB ALA 620 -9.657 -7.207 1.369 709 H SER 621 H SER 621 -12.585 -8.440 3.465 710 HA SER 621 HA SER 621 -14.220 -6.199 2.315 711 HB2 SER 621 2HB SER 621 -15.079 -8.404 4.166 712 HB3 SER 621 3HB SER 621 -15.983 -6.889 3.943 713 HG SER 621 HG SER 621 -16.791 -8.226 2.389 714 H VAL 622 H VAL 622 -13.438 -4.339 2.985 715 HA VAL 622 HA VAL 622 -13.568 -3.708 5.849 716 HB VAL 622 HB VAL 622 -11.360 -4.367 5.933 717 HG11 VAL 622 1HG1 VAL 622 -10.909 -3.150 3.211 718 HG12 VAL 622 2HG1 VAL 622 -9.579 -3.646 4.293 719 HG13 VAL 622 3HG1 VAL 622 -10.735 -4.841 3.710 720 HG21 VAL 622 3HG2 VAL 622 -11.013 -1.433 5.249 721 HG22 VAL 622 1HG2 VAL 622 -11.721 -2.029 6.767 722 HG23 VAL 622 2HG2 VAL 622 -10.047 -2.435 6.354 723 H ARG 623 H ARG 623 -14.069 -1.579 6.294 724 HA ARG 623 HA ARG 623 -14.429 0.235 3.951 725 HB2 ARG 623 2HB ARG 623 -16.743 0.506 4.388 726 HB3 ARG 623 3HB ARG 623 -16.469 -1.225 4.489 727 HG2 ARG 623 2HG ARG 623 -16.178 -0.644 7.107 728 HG3 ARG 623 3HG ARG 623 -17.139 0.764 6.656 729 HD2 ARG 623 2HD ARG 623 -17.858 -2.179 6.356 730 HD3 ARG 623 3HD ARG 623 -18.557 -1.019 7.491 731 HE ARG 623 HE ARG 623 -19.016 -0.072 4.818 732 HH11 ARG 623 1HH1 ARG 623 -20.177 -2.540 7.048 733 HH12 ARG 623 2HH1 ARG 623 -21.638 -2.771 6.073 734 HH21 ARG 623 1HH2 ARG 623 -20.937 -0.495 3.688 735 HH22 ARG 623 2HH2 ARG 623 -22.057 -1.659 4.401 736 H ALA 624 H ALA 624 -14.907 2.389 4.346 737 HA ALA 624 HA ALA 624 -13.344 3.672 6.394 738 HB1 ALA 624 1HB ALA 624 -15.550 4.684 4.550 739 HB2 ALA 624 2HB ALA 624 -14.436 5.706 5.474 740 HB3 ALA 624 3HB ALA 624 -13.812 4.656 4.191 741 H ASP 625 H ASP 625 -13.828 3.712 8.544 742 HA ASP 625 HA ASP 625 -16.497 3.209 9.609 743 HB2 ASP 625 2HB ASP 625 -14.089 2.859 10.684 744 HB3 ASP 625 3HB ASP 625 -14.178 4.540 11.063 745 H THR 626 H THR 626 -14.827 5.831 8.422 746 HA THR 626 HA THR 626 -16.419 8.122 9.291 747 HB THR 626 HB THR 626 -15.174 7.471 11.323 748 HG1 THR 626 1HG THR 626 -14.693 9.386 11.773 749 HG21 THR 626 1HG2 THR 626 -13.212 6.359 10.338 750 HG22 THR 626 2HG2 THR 626 -12.733 7.671 11.432 751 HG23 THR 626 3HG2 THR 626 -12.660 7.927 9.675 752 H TYR 627 H TYR 627 -15.232 10.122 8.427 753 HA TYR 627 HA TYR 627 -14.250 9.782 5.744 754 HB2 TYR 627 2HB TYR 627 -15.251 11.801 6.033 755 HB3 TYR 627 3HB TYR 627 -14.662 12.014 7.656 756 HD1 TYR 627 HD1 TYR 627 -13.556 12.201 4.064 757 HD2 TYR 627 HD2 TYR 627 -12.864 13.431 8.139 758 HE1 TYR 627 HE1 TYR 627 -11.921 13.922 3.290 759 HE2 TYR 627 HE2 TYR 627 -11.246 15.148 7.355 760 HH TYR 627 HH TYR 627 -10.671 15.686 3.857 761 H CYS 628 H CYS 628 -12.416 9.040 5.088 762 HA CYS 628 HA CYS 628 -9.970 9.153 6.798 763 HB2 CYS 628 2HB CYS 628 -11.386 7.025 7.030 764 HB3 CYS 628 3HB CYS 628 -10.979 6.682 5.335 765 HG CYS 628 HG CYS 628 -9.552 5.227 6.979 766 H ARG 629 H ARG 629 -8.184 9.655 5.756 767 HA ARG 629 HA ARG 629 -8.221 9.885 2.780 768 HB2 ARG 629 2HB ARG 629 -8.016 11.978 3.916 769 HB3 ARG 629 3HB ARG 629 -6.646 11.420 4.869 770 HG2 ARG 629 2HG ARG 629 -5.195 11.303 2.985 771 HG3 ARG 629 3HG ARG 629 -6.564 11.495 1.877 772 HD2 ARG 629 2HD ARG 629 -5.363 13.581 2.042 773 HD3 ARG 629 3HD ARG 629 -6.981 13.761 2.749 774 HE ARG 629 HE ARG 629 -4.511 13.320 4.430 775 HH11 ARG 629 1HH1 ARG 629 -7.356 15.368 3.899 776 HH12 ARG 629 2HH1 ARG 629 -7.244 15.995 5.524 777 HH21 ARG 629 1HH2 ARG 629 -4.306 14.302 6.245 778 HH22 ARG 629 2HH2 ARG 629 -5.519 15.381 6.894 779 H LEU 630 H LEU 630 -7.042 8.757 1.582 780 HA LEU 630 HA LEU 630 -5.004 6.888 2.721 781 HB2 LEU 630 2HB LEU 630 -6.901 6.366 0.388 782 HB3 LEU 630 3HB LEU 630 -5.698 5.260 1.036 783 HG LEU 630 HG LEU 630 -8.329 6.084 2.316 784 HD11 LEU 630 1HD1 LEU 630 -7.133 3.395 1.456 785 HD12 LEU 630 2HD1 LEU 630 -8.443 4.273 0.649 786 HD13 LEU 630 3HD1 LEU 630 -8.717 3.594 2.258 787 HD21 LEU 630 3HD2 LEU 630 -6.685 5.994 4.123 788 HD22 LEU 630 1HD2 LEU 630 -6.078 4.433 3.510 789 HD23 LEU 630 2HD2 LEU 630 -7.722 4.573 4.189 790 H TYR 631 H TYR 631 -3.442 6.089 1.128 791 HA TYR 631 HA TYR 631 -2.814 7.960 -1.116 792 HB2 TYR 631 2HB TYR 631 -1.420 7.541 1.398 793 HB3 TYR 631 3HB TYR 631 -0.379 7.093 0.050 794 HD1 TYR 631 HD1 TYR 631 0.181 8.751 -1.665 795 HD2 TYR 631 HD2 TYR 631 -2.103 9.823 1.797 796 HE1 TYR 631 HE1 TYR 631 0.622 11.189 -2.137 797 HE2 TYR 631 HE2 TYR 631 -1.657 12.240 1.374 798 HH TYR 631 HH TYR 631 -0.813 13.733 -0.047 799 H SER 632 H SER 632 -1.672 7.011 -2.890 800 HA SER 632 HA SER 632 -1.325 4.073 -2.760 801 HB2 SER 632 2HB SER 632 -3.595 4.524 -3.686 802 HB3 SER 632 3HB SER 632 -2.857 5.478 -4.983 803 HG SER 632 HG SER 632 -2.331 2.726 -4.415 804 H LEU 633 H LEU 633 0.098 3.130 -4.113 805 HA LEU 633 HA LEU 633 1.985 4.912 -5.593 806 HB2 LEU 633 2HB LEU 633 2.552 4.020 -3.194 807 HB3 LEU 633 3HB LEU 633 2.872 2.498 -4.004 808 HG LEU 633 HG LEU 633 4.231 5.178 -4.631 809 HD11 LEU 633 1HD1 LEU 633 6.135 4.294 -3.429 810 HD12 LEU 633 2HD1 LEU 633 5.285 2.765 -3.106 811 HD13 LEU 633 3HD1 LEU 633 4.727 4.285 -2.366 812 HD21 LEU 633 3HD2 LEU 633 4.373 3.756 -6.598 813 HD22 LEU 633 1HD2 LEU 633 4.796 2.339 -5.610 814 HD23 LEU 633 2HD2 LEU 633 5.923 3.695 -5.782 815 H SER 634 H SER 634 2.085 4.410 -7.679 816 HA SER 634 HA SER 634 1.115 1.882 -8.721 817 HB2 SER 634 2HB SER 634 1.614 2.959 -10.929 818 HB3 SER 634 3HB SER 634 0.448 3.820 -9.914 819 HG SER 634 HG SER 634 2.553 4.825 -11.019 820 H VAL 635 H VAL 635 2.218 0.215 -9.682 821 HA VAL 635 HA VAL 635 4.962 0.054 -8.840 822 HB VAL 635 HB VAL 635 5.038 -2.142 -9.317 823 HG11 VAL 635 1HG1 VAL 635 3.132 -3.107 -8.318 824 HG12 VAL 635 2HG1 VAL 635 3.356 -1.515 -7.575 825 HG13 VAL 635 3HG1 VAL 635 2.067 -1.769 -8.787 826 HG21 VAL 635 3HG2 VAL 635 2.761 -1.924 -11.280 827 HG22 VAL 635 1HG2 VAL 635 4.464 -2.346 -11.611 828 HG23 VAL 635 2HG2 VAL 635 3.471 -3.438 -10.659 829 H ASP 636 H ASP 636 3.591 0.938 -11.944 830 HA ASP 636 HA ASP 636 5.922 0.447 -13.538 831 HB2 ASP 636 2HB ASP 636 3.754 2.572 -13.657 832 HB3 ASP 636 3HB ASP 636 5.085 2.502 -14.814 833 H ASN 637 H ASN 637 5.156 3.101 -11.251 834 HA ASN 637 HA ASN 637 7.672 4.442 -11.809 835 HB2 ASN 637 2HB ASN 637 5.235 5.107 -10.348 836 HB3 ASN 637 3HB ASN 637 6.699 5.597 -9.488 837 HD21 ASN 637 HD21 ASN 637 4.846 6.018 -12.458 838 HD22 ASN 637 HD22 ASN 637 5.814 7.347 -13.060 839 H PHE 638 H PHE 638 6.697 1.966 -9.559 840 HA PHE 638 HA PHE 638 8.961 1.955 -7.744 841 HB2 PHE 638 2HB PHE 638 6.707 0.893 -7.471 842 HB3 PHE 638 3HB PHE 638 7.282 -0.381 -8.541 843 HD1 PHE 638 1HD PHE 638 9.601 -1.495 -7.884 844 HD2 PHE 638 2HD PHE 638 7.054 0.701 -5.185 845 HE1 PHE 638 1HE PHE 638 10.540 -2.750 -5.951 846 HE2 PHE 638 2HE PHE 638 8.035 -0.518 -3.260 847 HZ PHE 638 HZ PHE 638 9.750 -2.262 -3.647 848 H ASN 639 H ASN 639 8.154 0.222 -10.777 849 HA ASN 639 HA ASN 639 10.659 -1.168 -11.052 850 HB2 ASN 639 2HB ASN 639 8.265 -0.590 -12.850 851 HB3 ASN 639 3HB ASN 639 9.690 -1.425 -13.451 852 HD21 ASN 639 HD21 ASN 639 7.002 -1.858 -11.078 853 HD22 ASN 639 HD22 ASN 639 7.379 -3.593 -11.045 854 H GLU 640 H GLU 640 9.576 2.019 -12.089 855 HA GLU 640 HA GLU 640 11.752 2.767 -13.816 856 HB2 GLU 640 2HB GLU 640 9.651 4.115 -12.167 857 HB3 GLU 640 3HB GLU 640 11.018 5.107 -12.535 858 HG2 GLU 640 2HG GLU 640 9.336 3.663 -14.610 859 HG3 GLU 640 3HG GLU 640 9.113 5.346 -14.126 860 H VAL 641 H VAL 641 11.400 2.962 -10.282 861 HA VAL 641 HA VAL 641 13.945 4.415 -9.979 862 HB VAL 641 HB VAL 641 12.087 5.129 -8.673 863 HG11 VAL 641 1HG1 VAL 641 10.791 3.096 -8.445 864 HG12 VAL 641 2HG1 VAL 641 12.001 2.399 -7.357 865 HG13 VAL 641 3HG1 VAL 641 11.077 3.837 -6.885 866 HG21 VAL 641 3HG2 VAL 641 14.294 5.366 -7.610 867 HG22 VAL 641 1HG2 VAL 641 13.005 5.087 -6.397 868 HG23 VAL 641 2HG2 VAL 641 14.092 3.778 -6.844 869 H LEU 642 H LEU 642 12.719 1.122 -9.486 870 HA LEU 642 HA LEU 642 14.907 0.035 -8.136 871 HB2 LEU 642 2HB LEU 642 12.771 -1.005 -9.969 872 HB3 LEU 642 3HB LEU 642 14.195 -2.014 -9.865 873 HG LEU 642 HG LEU 642 12.443 -1.197 -7.514 874 HD11 LEU 642 1HD1 LEU 642 13.027 -3.877 -8.854 875 HD12 LEU 642 2HD1 LEU 642 11.521 -2.950 -9.004 876 HD13 LEU 642 3HD1 LEU 642 11.987 -3.634 -7.441 877 HD21 LEU 642 3HD2 LEU 642 15.070 -2.703 -7.694 878 HD22 LEU 642 1HD2 LEU 642 13.950 -2.927 -6.324 879 HD23 LEU 642 2HD2 LEU 642 14.679 -1.357 -6.618 880 H GLU 643 H GLU 643 14.873 0.799 -11.657 881 HA GLU 643 HA GLU 643 17.145 -0.709 -12.280 882 HB2 GLU 643 2HB GLU 643 16.710 0.077 -14.326 883 HB3 GLU 643 3HB GLU 643 15.180 0.344 -13.612 884 HG2 GLU 643 2HG GLU 643 15.264 2.372 -14.397 885 HG3 GLU 643 3HG GLU 643 16.389 2.797 -13.125 886 H GLU 644 H GLU 644 17.017 2.313 -10.520 887 HA GLU 644 HA GLU 644 19.768 3.089 -11.001 888 HB2 GLU 644 2HB GLU 644 17.687 3.865 -8.991 889 HB3 GLU 644 3HB GLU 644 19.214 4.681 -9.221 890 HG2 GLU 644 2HG GLU 644 17.090 4.316 -11.421 891 HG3 GLU 644 3HG GLU 644 17.102 5.583 -10.284 892 H TYR 645 H TYR 645 18.189 0.864 -8.934 893 HA TYR 645 HA TYR 645 20.478 0.580 -7.019 894 HB2 TYR 645 2HB TYR 645 17.518 0.409 -6.370 895 HB3 TYR 645 3HB TYR 645 18.850 0.153 -5.251 896 HD1 TYR 645 HD2 TYR 645 17.032 2.659 -7.250 897 HD2 TYR 645 HD1 TYR 645 19.968 2.037 -4.177 898 HE1 TYR 645 HE2 TYR 645 17.054 5.103 -6.808 899 HE2 TYR 645 HE1 TYR 645 19.935 4.464 -3.658 900 HH TYR 645 HH TYR 645 18.030 6.776 -5.665 901 HA PRO 646 HA PRO 646 19.556 -3.469 -9.223 902 HB2 PRO 646 2HB PRO 646 22.239 -4.261 -9.398 903 HB3 PRO 646 3HB PRO 646 21.284 -3.406 -10.644 904 HG2 PRO 646 2HG PRO 646 23.179 -2.254 -8.595 905 HG3 PRO 646 3HG PRO 646 23.015 -1.832 -10.328 906 HD2 PRO 646 2HD PRO 646 21.901 -0.288 -8.430 907 HD3 PRO 646 3HD PRO 646 21.017 -0.625 -9.948 908 H MET 647 H MET 647 21.430 -2.783 -6.300 909 HA MET 647 HA MET 647 21.372 -5.356 -5.042 910 HB2 MET 647 2HB MET 647 22.666 -3.440 -4.213 911 HB3 MET 647 3HB MET 647 21.185 -2.515 -3.965 912 HG2 MET 647 2HG MET 647 20.509 -4.369 -2.281 913 HG3 MET 647 3HG MET 647 22.176 -4.919 -2.425 914 HE1 MET 647 3HE MET 647 20.638 -1.044 -0.448 915 HE2 MET 647 1HE MET 647 20.469 -1.285 -2.202 916 HE3 MET 647 2HE MET 647 19.665 -2.395 -1.072 917 H MET 648 H MET 648 18.936 -2.700 -5.096 918 HA MET 648 HA MET 648 17.116 -4.075 -3.277 919 HB2 MET 648 2HB MET 648 16.764 -1.673 -5.103 920 HB3 MET 648 3HB MET 648 15.536 -2.224 -3.964 921 HG2 MET 648 2HG MET 648 18.301 -1.553 -2.959 922 HG3 MET 648 3HG MET 648 17.194 -0.268 -3.400 923 HE1 MET 648 3HE MET 648 17.672 -3.402 -1.039 924 HE2 MET 648 1HE MET 648 16.388 -3.161 0.159 925 HE3 MET 648 2HE MET 648 15.969 -3.697 -1.476 926 H ARG 649 H ARG 649 17.427 -3.764 -6.785 927 HA ARG 649 HA ARG 649 15.111 -5.175 -7.666 928 HB2 ARG 649 2HB ARG 649 16.334 -4.141 -9.283 929 HB3 ARG 649 3HB ARG 649 17.874 -4.693 -8.672 930 HG2 ARG 649 2HG ARG 649 17.423 -5.632 -10.789 931 HG3 ARG 649 3HG ARG 649 17.565 -6.895 -9.584 932 HD2 ARG 649 2HD ARG 649 15.178 -7.281 -9.599 933 HD3 ARG 649 3HD ARG 649 14.901 -5.885 -10.668 934 HE ARG 649 HE ARG 649 15.827 -8.560 -11.399 935 HH11 ARG 649 1HH1 ARG 649 15.895 -5.198 -12.554 936 HH12 ARG 649 2HH1 ARG 649 16.532 -5.732 -14.097 937 HH21 ARG 649 1HH2 ARG 649 16.421 -9.051 -13.527 938 HH22 ARG 649 2HH2 ARG 649 16.724 -7.705 -14.627 939 H ARG 650 H ARG 650 18.333 -6.645 -7.008 940 HA ARG 650 HA ARG 650 17.264 -9.285 -7.198 941 HB2 ARG 650 2HB ARG 650 19.264 -10.160 -6.235 942 HB3 ARG 650 3HB ARG 650 19.542 -9.020 -7.542 943 HG2 ARG 650 2HG ARG 650 21.257 -8.526 -6.135 944 HG3 ARG 650 3HG ARG 650 20.100 -7.299 -5.719 945 HD2 ARG 650 2HD ARG 650 21.189 -8.173 -3.751 946 HD3 ARG 650 3HD ARG 650 19.494 -8.599 -3.656 947 HE ARG 650 HE ARG 650 20.509 -10.859 -4.775 948 HH11 ARG 650 1HH1 ARG 650 21.854 -9.077 -2.051 949 HH12 ARG 650 2HH1 ARG 650 22.683 -10.494 -1.469 950 HH21 ARG 650 1HH2 ARG 650 21.270 -12.618 -3.771 951 HH22 ARG 650 2HH2 ARG 650 22.177 -12.481 -2.272 952 H ALA 651 H ALA 651 17.642 -7.258 -4.378 953 HA ALA 651 HA ALA 651 16.975 -9.048 -2.354 954 HB1 ALA 651 1HB ALA 651 16.358 -7.068 -1.056 955 HB2 ALA 651 2HB ALA 651 17.732 -6.646 -2.098 956 HB3 ALA 651 3HB ALA 651 16.077 -6.141 -2.540 957 H PHE 652 H PHE 652 14.749 -7.588 -4.681 958 HA PHE 652 HA PHE 652 12.369 -8.635 -3.265 959 HB2 PHE 652 2HB PHE 652 12.813 -6.989 -5.754 960 HB3 PHE 652 3HB PHE 652 11.208 -7.537 -5.243 961 HD1 PHE 652 2HD PHE 652 11.127 -7.065 -2.352 962 HD2 PHE 652 1HD PHE 652 12.950 -4.739 -5.475 963 HE1 PHE 652 2HE PHE 652 10.806 -5.017 -1.001 964 HE2 PHE 652 1HE PHE 652 12.609 -2.663 -4.127 965 HZ PHE 652 HZ PHE 652 11.465 -2.802 -1.919 966 H GLU 653 H GLU 653 14.052 -9.233 -6.430 967 HA GLU 653 HA GLU 653 12.117 -11.232 -7.145 968 HB2 GLU 653 2HB GLU 653 13.480 -11.767 -9.039 969 HB3 GLU 653 3HB GLU 653 13.226 -10.029 -8.789 970 HG2 GLU 653 2HG GLU 653 15.390 -9.818 -7.800 971 HG3 GLU 653 3HG GLU 653 15.778 -11.524 -8.100 972 H THR 654 H THR 654 14.511 -11.419 -4.912 973 HA THR 654 HA THR 654 14.760 -14.365 -4.924 974 HB THR 654 HB THR 654 16.695 -13.134 -4.230 975 HG1 THR 654 1HG THR 654 15.730 -15.187 -2.994 976 HG21 THR 654 1HG2 THR 654 16.857 -11.786 -2.326 977 HG22 THR 654 2HG2 THR 654 15.315 -12.351 -1.648 978 HG23 THR 654 3HG2 THR 654 15.321 -11.271 -3.046 979 H VAL 655 H VAL 655 13.343 -11.996 -2.641 980 HA VAL 655 HA VAL 655 11.971 -13.936 -1.080 981 HB VAL 655 HB VAL 655 12.565 -11.700 -0.331 982 HG11 VAL 655 1HG1 VAL 655 11.257 -9.733 -0.895 983 HG12 VAL 655 2HG1 VAL 655 12.218 -10.416 -2.222 984 HG13 VAL 655 3HG1 VAL 655 10.446 -10.644 -2.182 985 HG21 VAL 655 3HG2 VAL 655 10.579 -11.216 0.985 986 HG22 VAL 655 1HG2 VAL 655 9.548 -12.106 -0.145 987 HG23 VAL 655 2HG2 VAL 655 10.740 -12.977 0.840 988 H ALA 656 H ALA 656 10.959 -12.153 -3.965 989 HA ALA 656 HA ALA 656 8.254 -12.811 -4.116 990 HB1 ALA 656 1HB ALA 656 10.295 -12.698 -6.382 991 HB2 ALA 656 2HB ALA 656 8.536 -12.519 -6.551 992 HB3 ALA 656 3HB ALA 656 9.462 -11.298 -5.664 993 H ILE 657 H ILE 657 10.905 -15.072 -4.407 994 HA ILE 657 HA ILE 657 8.963 -17.234 -5.107 995 HB ILE 657 HB ILE 657 10.408 -16.721 -6.989 996 HG12 ILE 657 2HG1 ILE 657 11.162 -19.443 -5.905 997 HG13 ILE 657 3HG1 ILE 657 9.510 -19.049 -6.415 998 HG21 ILE 657 1HG2 ILE 657 12.757 -17.618 -5.248 999 HG22 ILE 657 2HG2 ILE 657 12.815 -17.268 -6.983 1000 HG23 ILE 657 3HG2 ILE 657 12.461 -15.972 -5.860 1001 HD11 ILE 657 3HD1 ILE 657 11.988 -19.005 -8.184 1002 HD12 ILE 657 1HD1 ILE 657 10.651 -20.163 -8.229 1003 HD13 ILE 657 2HD1 ILE 657 10.364 -18.474 -8.685 1004 H ASP 658 H ASP 658 11.826 -16.390 -3.141 1005 HA ASP 658 HA ASP 658 12.022 -18.899 -1.774 1006 HB2 ASP 658 2HB ASP 658 13.015 -16.089 -1.175 1007 HB3 ASP 658 3HB ASP 658 13.303 -17.438 -0.086 1008 H ARG 659 H ARG 659 9.926 -16.063 -1.063 1009 HA ARG 659 HA ARG 659 9.103 -17.012 1.505 1010 HB2 ARG 659 2HB ARG 659 7.912 -15.084 1.516 1011 HB3 ARG 659 3HB ARG 659 9.070 -14.657 0.336 1012 HG2 ARG 659 2HG ARG 659 7.363 -15.342 -1.471 1013 HG3 ARG 659 3HG ARG 659 6.189 -15.530 -0.154 1014 HD2 ARG 659 2HD ARG 659 6.581 -13.168 0.508 1015 HD3 ARG 659 3HD ARG 659 7.646 -12.965 -0.896 1016 HE ARG 659 HE ARG 659 5.537 -13.770 -2.227 1017 HH11 ARG 659 1HH1 ARG 659 5.563 -11.296 0.289 1018 HH12 ARG 659 2HH1 ARG 659 3.938 -10.779 -0.141 1019 HH21 ARG 659 1HH2 ARG 659 3.483 -13.125 -2.579 1020 HH22 ARG 659 2HH2 ARG 659 2.805 -11.790 -1.682 1021 H LEU 660 H LEU 660 8.486 -18.339 -1.502 1022 HA LEU 660 HA LEU 660 5.774 -19.386 -0.843 1023 HB2 LEU 660 2HB LEU 660 7.344 -19.822 -3.423 1024 HB3 LEU 660 3HB LEU 660 5.625 -20.028 -3.135 1025 HG LEU 660 HG LEU 660 7.156 -17.397 -3.287 1026 HD11 LEU 660 1HD1 LEU 660 6.718 -18.492 -5.462 1027 HD12 LEU 660 2HD1 LEU 660 5.764 -17.013 -5.272 1028 HD13 LEU 660 3HD1 LEU 660 4.987 -18.595 -5.063 1029 HD21 LEU 660 3HD2 LEU 660 4.214 -17.931 -2.754 1030 HD22 LEU 660 1HD2 LEU 660 4.954 -16.331 -3.031 1031 HD23 LEU 660 2HD2 LEU 660 5.386 -17.280 -1.597 1032 H ASP 661 H ASP 661 8.812 -20.532 -2.066 1033 HA ASP 661 HA ASP 661 8.922 -22.733 -0.087 1034 HB2 ASP 661 2HB ASP 661 9.044 -23.227 -3.062 1035 HB3 ASP 661 3HB ASP 661 10.024 -24.189 -1.962 1036 H ARG 662 H ARG 662 10.778 -22.680 0.886 1037 HA ARG 662 HA ARG 662 12.745 -20.722 0.231 1038 HB2 ARG 662 2HB ARG 662 13.585 -21.204 2.417 1039 HB3 ARG 662 3HB ARG 662 11.841 -21.272 2.453 1040 HG2 ARG 662 2HG ARG 662 12.049 -23.835 2.280 1041 HG3 ARG 662 3HG ARG 662 13.790 -23.611 2.543 1042 HD2 ARG 662 2HD ARG 662 13.296 -22.419 4.679 1043 HD3 ARG 662 3HD ARG 662 11.571 -22.639 4.398 1044 HE ARG 662 HE ARG 662 11.726 -24.920 4.954 1045 HH11 ARG 662 1HH1 ARG 662 15.010 -23.595 5.003 1046 HH12 ARG 662 2HH1 ARG 662 15.581 -24.932 5.975 1047 HH21 ARG 662 1HH2 ARG 662 12.521 -26.534 5.996 1048 HH22 ARG 662 2HH2 ARG 662 14.230 -26.644 6.403 1049 H ILE 663 H ILE 663 12.628 -23.541 -1.294 1050 HA ILE 663 HA ILE 663 15.539 -23.847 -1.662 1051 HB ILE 663 HB ILE 663 15.321 -26.238 -1.819 1052 HG12 ILE 663 2HG1 ILE 663 12.941 -26.447 -2.264 1053 HG13 ILE 663 3HG1 ILE 663 13.585 -27.550 -1.050 1054 HG21 ILE 663 1HG2 ILE 663 14.644 -25.116 0.912 1055 HG22 ILE 663 2HG2 ILE 663 15.317 -26.722 0.573 1056 HG23 ILE 663 3HG2 ILE 663 16.248 -25.267 0.178 1057 HD11 ILE 663 3HD1 ILE 663 11.411 -26.866 -0.357 1058 HD12 ILE 663 1HD1 ILE 663 12.589 -26.106 0.730 1059 HD13 ILE 663 2HD1 ILE 663 11.795 -25.155 -0.550 1060 H GLY 664 H GLY 664 16.219 -24.284 -3.671 1061 HA2 GLY 664 2HA GLY 664 14.471 -23.366 -5.804 1062 HA3 GLY 664 3HA GLY 664 16.205 -23.675 -5.898 1063 H LYS 665 H LYS 665 16.306 -26.414 -5.294 1064 HA LYS 665 HA LYS 665 16.129 -28.488 -6.282 1065 HB2 LYS 665 2HB LYS 665 13.229 -27.809 -6.273 1066 HB3 LYS 665 3HB LYS 665 13.915 -29.431 -6.224 1067 HG2 LYS 665 2HG LYS 665 14.098 -27.276 -4.068 1068 HG3 LYS 665 3HG LYS 665 13.075 -28.692 -4.021 1069 HD2 LYS 665 2HD LYS 665 16.121 -28.732 -3.973 1070 HD3 LYS 665 3HD LYS 665 15.057 -28.905 -2.576 1071 HE2 LYS 665 2HE LYS 665 14.055 -30.957 -3.576 1072 HE3 LYS 665 3HE LYS 665 15.138 -30.796 -4.966 1073 HZ1 LYS 665 3HZ LYS 665 16.013 -31.216 -2.162 1074 HZ2 LYS 665 1HZ LYS 665 17.020 -30.956 -3.401 1075 HZ3 LYS 665 2HZ LYS 665 16.090 -32.317 -3.399 1076 H LYS 666 H LYS 666 17.221 -27.424 -8.068 1077 HA LYS 666 HA LYS 666 16.440 -26.552 -10.512 1078 HB2 LYS 666 2HB LYS 666 18.639 -27.321 -11.315 1079 HB3 LYS 666 3HB LYS 666 18.756 -26.714 -9.680 1080 HG2 LYS 666 2HG LYS 666 18.518 -29.205 -8.928 1081 HG3 LYS 666 3HG LYS 666 18.818 -29.610 -10.625 1082 HD2 LYS 666 2HD LYS 666 21.004 -28.494 -10.532 1083 HD3 LYS 666 3HD LYS 666 20.642 -27.886 -8.900 1084 HE2 LYS 666 2HE LYS 666 20.328 -30.320 -8.195 1085 HE3 LYS 666 3HE LYS 666 21.049 -30.788 -9.743 1086 HZ1 LYS 666 3HZ LYS 666 22.664 -30.586 -7.850 1087 HZ2 LYS 666 1HZ LYS 666 22.343 -28.973 -7.767 1088 HZ3 LYS 666 2HZ LYS 666 23.045 -29.589 -9.105 1089 H ASN 667 H ASN 667 16.519 -27.337 -12.636 1090 HA ASN 667 HA ASN 667 14.907 -29.751 -13.106 1091 HB2 ASN 667 2HB ASN 667 14.506 -27.463 -14.114 1092 HB3 ASN 667 3HB ASN 667 16.006 -27.642 -15.019 1093 HD21 ASN 667 HD21 ASN 667 14.217 -27.117 -16.618 1094 HD22 ASN 667 HD22 ASN 667 13.393 -28.493 -17.358 1095 H SER 668 H SER 668 18.226 -28.594 -13.754 1096 HA SER 668 HA SER 668 19.186 -31.390 -13.822 1097 HB2 SER 668 2HB SER 668 20.572 -30.963 -15.885 1098 HB3 SER 668 3HB SER 668 18.850 -31.229 -16.132 1099 HG SER 668 HG SER 668 19.079 -29.565 -17.305 1100 H ILE 669 H ILE 669 20.362 -28.141 -14.540 1101 HA ILE 669 HA ILE 669 22.421 -28.288 -12.402 1102 HB ILE 669 HB ILE 669 24.182 -27.633 -13.968 1103 HG12 ILE 669 2HG1 ILE 669 22.230 -28.235 -16.240 1104 HG13 ILE 669 3HG1 ILE 669 22.708 -26.611 -15.734 1105 HG21 ILE 669 1HG2 ILE 669 24.612 -29.834 -14.897 1106 HG22 ILE 669 2HG2 ILE 669 23.808 -30.023 -13.337 1107 HG23 ILE 669 3HG2 ILE 669 22.887 -30.256 -14.835 1108 HD11 ILE 669 3HD1 ILE 669 24.525 -28.731 -16.927 1109 HD12 ILE 669 1HD1 ILE 669 24.027 -27.184 -17.637 1110 HD13 ILE 669 2HD1 ILE 669 25.095 -27.199 -16.219 1111 H LEU 670 H LEU 670 23.598 -26.123 -12.222 1112 HA LEU 670 HA LEU 670 21.614 -23.929 -12.455 1113 HB2 LEU 670 2HB LEU 670 24.348 -23.947 -11.149 1114 HB3 LEU 670 3HB LEU 670 23.106 -22.700 -11.014 1115 HG LEU 670 HG LEU 670 22.952 -25.530 -9.892 1116 HD11 LEU 670 1HD1 LEU 670 23.127 -22.791 -8.570 1117 HD12 LEU 670 2HD1 LEU 670 24.425 -24.006 -8.667 1118 HD13 LEU 670 3HD1 LEU 670 22.958 -24.348 -7.736 1119 HD21 LEU 670 3HD2 LEU 670 20.692 -24.822 -10.568 1120 HD22 LEU 670 1HD2 LEU 670 20.911 -23.279 -9.703 1121 HD23 LEU 670 2HD2 LEU 670 20.866 -24.818 -8.812 1122 H LEU 671 H LEU 671 22.175 -21.850 -13.270 1123 HA LEU 671 HA LEU 671 23.865 -21.867 -15.678 1124 HB2 LEU 671 2HB LEU 671 21.747 -20.742 -15.778 1125 HB3 LEU 671 3HB LEU 671 22.112 -19.786 -14.341 1126 HG LEU 671 HG LEU 671 23.831 -18.521 -15.530 1127 HD11 LEU 671 1HD1 LEU 671 23.126 -20.236 -17.949 1128 HD12 LEU 671 2HD1 LEU 671 24.706 -20.158 -17.132 1129 HD13 LEU 671 3HD1 LEU 671 24.101 -18.751 -17.995 1130 HD21 LEU 671 3HD2 LEU 671 21.244 -18.726 -17.119 1131 HD22 LEU 671 1HD2 LEU 671 22.367 -17.349 -17.116 1132 HD23 LEU 671 2HD2 LEU 671 21.491 -17.777 -15.634 1133 H HIS 672 H HIS 672 25.939 -21.518 -15.616 1134 HA HIS 672 HA HIS 672 28.047 -20.848 -15.005 1135 HB2 HIS 672 2HB HIS 672 26.980 -19.304 -16.605 1136 HB3 HIS 672 3HB HIS 672 26.571 -18.218 -15.290 1137 HD1 HIS 672 1HD HIS 672 29.347 -18.161 -13.786 1138 HD2 HIS 672 2HD HIS 672 28.831 -18.063 -17.945 1139 HE1 HIS 672 1HE HIS 672 31.487 -17.104 -14.740 Start of MODEL 15 1 H ASN 534 H ASN 534 4.189 16.106 2.721 2 HA ASN 534 HA ASN 534 4.023 13.901 0.978 3 HB2 ASN 534 2HB ASN 534 6.474 15.486 1.843 4 HB3 ASN 534 3HB ASN 534 6.388 14.436 0.430 5 HD21 ASN 534 HD21 ASN 534 6.049 17.595 1.460 6 HD22 ASN 534 HD22 ASN 534 5.205 18.218 0.040 7 H CYS 535 H CYS 535 4.768 11.874 0.939 8 HA CYS 535 HA CYS 535 4.848 10.607 3.469 9 HB2 CYS 535 2HB CYS 535 4.923 9.597 0.608 10 HB3 CYS 535 3HB CYS 535 4.937 8.501 1.997 11 HG CYS 535 HG CYS 535 2.679 10.894 1.387 12 H ARG 536 H ARG 536 7.497 12.056 2.666 13 HA ARG 536 HA ARG 536 9.606 10.278 2.213 14 HB2 ARG 536 2HB ARG 536 9.890 12.709 2.214 15 HB3 ARG 536 3HB ARG 536 9.503 12.800 3.930 16 HG2 ARG 536 2HG ARG 536 11.897 13.060 3.615 17 HG3 ARG 536 3HG ARG 536 11.573 11.578 4.500 18 HD2 ARG 536 2HD ARG 536 11.752 10.382 2.179 19 HD3 ARG 536 3HD ARG 536 12.402 11.911 1.594 20 HE ARG 536 HE ARG 536 14.352 11.598 2.881 21 HH11 ARG 536 1HH1 ARG 536 12.104 8.977 3.742 22 HH12 ARG 536 2HH1 ARG 536 13.467 8.007 4.303 23 HH21 ARG 536 1HH2 ARG 536 15.936 10.165 3.694 24 HH22 ARG 536 2HH2 ARG 536 15.365 8.641 4.358 25 H LYS 537 H LYS 537 8.350 11.151 5.422 26 HA LYS 537 HA LYS 537 9.848 8.998 6.746 27 HB2 LYS 537 2HB LYS 537 9.034 9.892 8.774 28 HB3 LYS 537 3HB LYS 537 9.625 11.183 7.742 29 HG2 LYS 537 2HG LYS 537 7.730 12.230 8.414 30 HG3 LYS 537 3HG LYS 537 7.025 11.362 7.059 31 HD2 LYS 537 2HD LYS 537 5.556 11.061 8.898 32 HD3 LYS 537 3HD LYS 537 6.405 9.509 8.714 33 HE2 LYS 537 2HE LYS 537 7.713 9.833 10.635 34 HE3 LYS 537 3HE LYS 537 7.535 11.596 10.590 35 HZ1 LYS 537 3HZ LYS 537 6.225 10.503 12.355 36 HZ2 LYS 537 1HZ LYS 537 5.264 9.794 11.213 37 HZ3 LYS 537 2HZ LYS 537 5.317 11.424 11.353 38 H LEU 538 H LEU 538 6.679 9.274 5.457 39 HA LEU 538 HA LEU 538 5.506 7.318 7.292 40 HB2 LEU 538 2HB LEU 538 4.277 9.301 6.424 41 HB3 LEU 538 3HB LEU 538 4.353 8.630 4.796 42 HG LEU 538 HG LEU 538 2.957 6.718 5.483 43 HD11 LEU 538 1HD1 LEU 538 2.831 8.086 8.201 44 HD12 LEU 538 2HD1 LEU 538 3.521 6.483 7.862 45 HD13 LEU 538 3HD1 LEU 538 1.787 6.749 7.676 46 HD21 LEU 538 3HD2 LEU 538 1.771 9.391 6.331 47 HD22 LEU 538 1HD2 LEU 538 0.863 7.957 5.809 48 HD23 LEU 538 2HD2 LEU 538 1.898 8.824 4.662 49 H VAL 539 H VAL 539 6.656 7.273 3.940 50 HA VAL 539 HA VAL 539 5.938 4.465 3.516 51 HB VAL 539 HB VAL 539 6.390 6.430 1.781 52 HG11 VAL 539 1HG1 VAL 539 8.483 6.018 0.532 53 HG12 VAL 539 2HG1 VAL 539 8.784 6.666 2.167 54 HG13 VAL 539 3HG1 VAL 539 9.038 4.928 1.780 55 HG21 VAL 539 3HG2 VAL 539 6.959 3.514 1.253 56 HG22 VAL 539 1HG2 VAL 539 5.355 4.272 1.303 57 HG23 VAL 539 2HG2 VAL 539 6.515 4.729 0.045 58 H ALA 540 H ALA 540 9.017 6.152 4.237 59 HA ALA 540 HA ALA 540 10.568 3.823 4.167 60 HB1 ALA 540 1HB ALA 540 11.130 6.495 5.519 61 HB2 ALA 540 2HB ALA 540 12.336 5.308 5.005 62 HB3 ALA 540 3HB ALA 540 11.349 6.147 3.784 63 H SER 541 H SER 541 8.582 4.842 6.809 64 HA SER 541 HA SER 541 10.216 3.710 8.941 65 HB2 SER 541 2HB SER 541 8.803 5.704 9.183 66 HB3 SER 541 3HB SER 541 7.386 4.661 8.976 67 HG SER 541 HG SER 541 8.052 5.169 11.163 68 H MET 542 H MET 542 7.953 2.472 6.643 69 HA MET 542 HA MET 542 6.929 0.352 8.214 70 HB2 MET 542 2HB MET 542 6.227 1.463 5.851 71 HB3 MET 542 3HB MET 542 7.163 0.089 5.235 72 HG2 MET 542 2HG MET 542 5.296 -0.664 7.381 73 HG3 MET 542 3HG MET 542 4.483 0.164 6.089 74 HE1 MET 542 3HE MET 542 4.035 -0.477 3.907 75 HE2 MET 542 1HE MET 542 5.749 -0.526 3.442 76 HE3 MET 542 2HE MET 542 4.676 -1.886 3.014 77 HA PRO 543 HA PRO 543 10.485 -2.221 8.150 78 HB2 PRO 543 2HB PRO 543 9.561 -4.733 8.684 79 HB3 PRO 543 3HB PRO 543 9.546 -3.385 9.860 80 HG2 PRO 543 2HG PRO 543 7.274 -4.456 8.210 81 HG3 PRO 543 3HG PRO 543 7.253 -3.853 9.896 82 HD2 PRO 543 2HD PRO 543 6.503 -2.452 7.620 83 HD3 PRO 543 3HD PRO 543 6.917 -1.662 9.144 84 H LEU 544 H LEU 544 8.144 -2.796 5.648 85 HA LEU 544 HA LEU 544 9.662 -4.524 3.940 86 HB2 LEU 544 2HB LEU 544 7.315 -3.944 3.705 87 HB3 LEU 544 3HB LEU 544 7.689 -2.268 3.345 88 HG LEU 544 HG LEU 544 8.834 -4.431 1.554 89 HD11 LEU 544 1HD1 LEU 544 6.721 -4.293 0.226 90 HD12 LEU 544 2HD1 LEU 544 6.005 -3.314 1.535 91 HD13 LEU 544 3HD1 LEU 544 6.465 -5.005 1.829 92 HD21 LEU 544 3HD2 LEU 544 8.438 -2.700 -0.185 93 HD22 LEU 544 1HD2 LEU 544 9.434 -2.020 1.102 94 HD23 LEU 544 2HD2 LEU 544 7.712 -1.628 1.022 95 H PHE 545 H PHE 545 10.210 -1.220 4.917 96 HA PHE 545 HA PHE 545 12.407 -0.906 2.916 97 HB2 PHE 545 2HB PHE 545 10.981 1.284 4.433 98 HB3 PHE 545 3HB PHE 545 12.160 1.481 3.153 99 HD1 PHE 545 2HD PHE 545 11.536 0.747 0.748 100 HD2 PHE 545 1HD PHE 545 8.698 1.011 3.965 101 HE1 PHE 545 2HE PHE 545 9.695 1.007 -0.897 102 HE2 PHE 545 1HE PHE 545 6.846 1.243 2.327 103 HZ PHE 545 HZ PHE 545 7.347 1.299 -0.104 104 H ALA 546 H ALA 546 12.247 -2.135 5.801 105 HA ALA 546 HA ALA 546 13.670 -0.832 7.767 106 HB1 ALA 546 1HB ALA 546 14.437 -3.137 8.336 107 HB2 ALA 546 2HB ALA 546 12.706 -3.050 7.932 108 HB3 ALA 546 3HB ALA 546 13.870 -3.662 6.728 109 H ASN 547 H ASN 547 15.097 -2.325 4.888 110 HA ASN 547 HA ASN 547 17.746 -1.117 5.549 111 HB2 ASN 547 2HB ASN 547 18.808 -3.178 4.690 112 HB3 ASN 547 3HB ASN 547 17.787 -3.421 6.117 113 HD21 ASN 547 HD21 ASN 547 16.042 -4.805 6.024 114 HD22 ASN 547 HD22 ASN 547 15.501 -5.552 4.516 115 H ALA 548 H ALA 548 15.448 -0.360 3.841 116 HA ALA 548 HA ALA 548 16.300 -0.370 1.074 117 HB1 ALA 548 1HB ALA 548 13.997 0.242 1.768 118 HB2 ALA 548 2HB ALA 548 14.624 1.744 2.512 119 HB3 ALA 548 3HB ALA 548 14.733 1.495 0.769 120 H ASP 549 H ASP 549 17.252 1.337 -0.203 121 HA ASP 549 HA ASP 549 19.229 3.056 1.119 122 HB2 ASP 549 2HB ASP 549 19.698 2.030 -1.064 123 HB3 ASP 549 3HB ASP 549 18.360 2.895 -1.791 124 HA PRO 550 HA PRO 550 16.029 6.019 2.100 125 HB2 PRO 550 2HB PRO 550 17.520 8.225 2.760 126 HB3 PRO 550 3HB PRO 550 17.440 6.751 3.772 127 HG2 PRO 550 2HG PRO 550 19.521 7.429 1.657 128 HG3 PRO 550 3HG PRO 550 19.817 6.989 3.379 129 HD2 PRO 550 2HD PRO 550 19.966 5.130 1.461 130 HD3 PRO 550 3HD PRO 550 19.101 4.734 2.978 131 H ASN 551 H ASN 551 17.990 6.309 -0.634 132 HA ASN 551 HA ASN 551 16.747 8.830 -1.645 133 HB2 ASN 551 2HB ASN 551 19.000 7.210 -2.879 134 HB3 ASN 551 3HB ASN 551 18.449 8.814 -3.343 135 HD21 ASN 551 HD21 ASN 551 20.299 6.971 -1.044 136 HD22 ASN 551 HD22 ASN 551 21.100 8.385 -0.316 137 H PHE 552 H PHE 552 17.000 5.354 -2.214 138 HA PHE 552 HA PHE 552 15.366 5.136 -4.592 139 HB2 PHE 552 2HB PHE 552 16.647 3.236 -4.072 140 HB3 PHE 552 3HB PHE 552 16.270 3.311 -2.377 141 HD1 PHE 552 2HD PHE 552 14.742 2.404 -5.670 142 HD2 PHE 552 1HD PHE 552 14.598 2.043 -1.387 143 HE1 PHE 552 2HE PHE 552 12.918 0.722 -5.863 144 HE2 PHE 552 1HE PHE 552 12.825 0.309 -1.584 145 HZ PHE 552 HZ PHE 552 11.972 -0.333 -3.822 146 H VAL 553 H VAL 553 14.550 4.746 -1.106 147 HA VAL 553 HA VAL 553 11.790 4.366 -1.438 148 HB VAL 553 HB VAL 553 11.439 4.902 0.850 149 HG11 VAL 553 1HG1 VAL 553 13.035 3.442 1.861 150 HG12 VAL 553 2HG1 VAL 553 12.773 2.864 0.202 151 HG13 VAL 553 3HG1 VAL 553 14.248 3.803 0.606 152 HG21 VAL 553 3HG2 VAL 553 13.328 5.718 2.301 153 HG22 VAL 553 1HG2 VAL 553 14.186 6.183 0.835 154 HG23 VAL 553 2HG2 VAL 553 12.648 6.984 1.254 155 H THR 554 H THR 554 13.593 7.299 -1.412 156 HA THR 554 HA THR 554 11.329 9.143 -1.250 157 HB THR 554 HB THR 554 14.296 9.642 -1.698 158 HG1 THR 554 1HG THR 554 14.225 9.015 0.312 159 HG21 THR 554 1HG2 THR 554 13.614 11.932 -0.816 160 HG22 THR 554 2HG2 THR 554 11.929 11.472 -1.127 161 HG23 THR 554 3HG2 THR 554 13.092 11.544 -2.477 162 H ALA 555 H ALA 555 13.541 8.056 -3.866 163 HA ALA 555 HA ALA 555 12.603 9.978 -5.746 164 HB1 ALA 555 1HB ALA 555 13.728 8.481 -7.408 165 HB2 ALA 555 2HB ALA 555 14.749 8.777 -5.992 166 HB3 ALA 555 3HB ALA 555 13.890 7.227 -6.165 167 H MET 556 H MET 556 11.241 7.066 -4.560 168 HA MET 556 HA MET 556 9.356 6.371 -6.620 169 HB2 MET 556 2HB MET 556 10.353 5.050 -4.685 170 HB3 MET 556 3HB MET 556 9.240 5.899 -3.612 171 HG2 MET 556 2HG MET 556 7.320 4.962 -4.872 172 HG3 MET 556 3HG MET 556 8.429 4.129 -5.950 173 HE1 MET 556 3HE MET 556 10.203 1.748 -3.132 174 HE2 MET 556 1HE MET 556 10.600 2.753 -4.550 175 HE3 MET 556 2HE MET 556 10.503 3.483 -2.926 176 H LEU 557 H LEU 557 9.373 8.968 -4.325 177 HA LEU 557 HA LEU 557 6.457 9.129 -4.083 178 HB2 LEU 557 2HB LEU 557 8.581 11.043 -3.036 179 HB3 LEU 557 3HB LEU 557 6.923 10.879 -2.473 180 HG LEU 557 HG LEU 557 9.149 8.817 -2.137 181 HD11 LEU 557 1HD1 LEU 557 7.729 10.592 -0.124 182 HD12 LEU 557 2HD1 LEU 557 9.389 10.805 -0.727 183 HD13 LEU 557 3HD1 LEU 557 8.978 9.364 0.224 184 HD21 LEU 557 3HD2 LEU 557 7.558 7.629 -0.680 185 HD22 LEU 557 1HD2 LEU 557 7.012 7.667 -2.353 186 HD23 LEU 557 2HD2 LEU 557 6.276 8.762 -1.148 187 H THR 558 H THR 558 8.754 10.474 -6.289 188 HA THR 558 HA THR 558 7.965 13.162 -6.437 189 HB THR 558 HB THR 558 8.950 13.261 -8.664 190 HG1 THR 558 1HG THR 558 9.394 11.579 -9.798 191 HG21 THR 558 1HG2 THR 558 10.588 11.488 -6.798 192 HG22 THR 558 2HG2 THR 558 10.448 13.259 -6.687 193 HG23 THR 558 3HG2 THR 558 11.207 12.515 -8.103 194 H LYS 559 H LYS 559 6.379 10.445 -8.103 195 HA LYS 559 HA LYS 559 4.295 12.357 -9.092 196 HB2 LYS 559 2HB LYS 559 3.703 10.802 -10.763 197 HB3 LYS 559 3HB LYS 559 5.430 11.038 -10.798 198 HG2 LYS 559 2HG LYS 559 5.656 8.841 -10.885 199 HG3 LYS 559 3HG LYS 559 5.196 8.762 -9.193 200 HD2 LYS 559 2HD LYS 559 2.961 8.791 -11.221 201 HD3 LYS 559 3HD LYS 559 3.986 7.364 -11.181 202 HE2 LYS 559 2HE LYS 559 3.460 6.837 -8.943 203 HE3 LYS 559 3HE LYS 559 2.805 8.438 -8.617 204 HZ1 LYS 559 3HZ LYS 559 0.952 7.987 -10.064 205 HZ2 LYS 559 1HZ LYS 559 1.052 6.808 -8.923 206 HZ3 LYS 559 2HZ LYS 559 1.515 6.515 -10.475 207 H LEU 560 H LEU 560 4.545 10.965 -6.292 208 HA LEU 560 HA LEU 560 2.590 8.960 -6.154 209 HB2 LEU 560 2HB LEU 560 4.481 9.338 -4.616 210 HB3 LEU 560 3HB LEU 560 3.627 10.703 -3.884 211 HG LEU 560 HG LEU 560 1.854 9.164 -3.087 212 HD11 LEU 560 1HD1 LEU 560 3.511 7.182 -4.656 213 HD12 LEU 560 2HD1 LEU 560 1.771 7.493 -4.870 214 HD13 LEU 560 3HD1 LEU 560 2.304 6.666 -3.421 215 HD21 LEU 560 3HD2 LEU 560 3.076 7.858 -1.513 216 HD22 LEU 560 1HD2 LEU 560 4.035 9.333 -1.776 217 HD23 LEU 560 2HD2 LEU 560 4.501 7.784 -2.567 218 H LYS 561 H LYS 561 0.558 8.872 -5.132 219 HA LYS 561 HA LYS 561 -1.041 11.375 -5.241 220 HB2 LYS 561 2HB LYS 561 -1.081 9.446 -7.121 221 HB3 LYS 561 3HB LYS 561 -2.199 8.707 -5.990 222 HG2 LYS 561 2HG LYS 561 -3.665 9.902 -7.238 223 HG3 LYS 561 3HG LYS 561 -3.325 11.161 -6.060 224 HD2 LYS 561 2HD LYS 561 -1.996 10.837 -8.799 225 HD3 LYS 561 3HD LYS 561 -3.291 11.960 -8.398 226 HE2 LYS 561 2HE LYS 561 -1.784 13.069 -6.732 227 HE3 LYS 561 3HE LYS 561 -0.444 12.029 -7.270 228 HZ1 LYS 561 3HZ LYS 561 -2.010 13.706 -9.129 229 HZ2 LYS 561 1HZ LYS 561 -0.546 13.000 -9.407 230 HZ3 LYS 561 2HZ LYS 561 -0.662 14.291 -8.375 231 H PHE 562 H PHE 562 -2.717 11.676 -3.906 232 HA PHE 562 HA PHE 562 -3.156 9.678 -1.735 233 HB2 PHE 562 2HB PHE 562 -3.199 11.212 -0.182 234 HB3 PHE 562 3HB PHE 562 -2.296 12.172 -1.317 235 HD1 PHE 562 1HD PHE 562 -3.501 14.017 -2.619 236 HD2 PHE 562 2HD PHE 562 -5.402 11.797 0.544 237 HE1 PHE 562 1HE PHE 562 -5.161 15.847 -2.341 238 HE2 PHE 562 2HE PHE 562 -7.075 13.621 0.804 239 HZ PHE 562 HZ PHE 562 -6.937 15.661 -0.615 240 H GLU 563 H GLU 563 -5.255 9.417 -0.815 241 HA GLU 563 HA GLU 563 -7.562 10.018 -2.607 242 HB2 GLU 563 2HB GLU 563 -6.671 7.231 -1.771 243 HB3 GLU 563 3HB GLU 563 -8.340 7.607 -2.223 244 HG2 GLU 563 2HG GLU 563 -7.512 8.567 -4.378 245 HG3 GLU 563 3HG GLU 563 -5.894 7.952 -3.994 246 H VAL 564 H VAL 564 -9.625 9.723 -1.628 247 HA VAL 564 HA VAL 564 -9.713 9.552 1.340 248 HB VAL 564 HB VAL 564 -11.348 11.432 -0.394 249 HG11 VAL 564 1HG1 VAL 564 -11.089 11.420 2.610 250 HG12 VAL 564 2HG1 VAL 564 -12.115 12.445 1.535 251 HG13 VAL 564 3HG1 VAL 564 -12.476 10.753 1.721 252 HG21 VAL 564 3HG2 VAL 564 -8.871 11.849 1.282 253 HG22 VAL 564 1HG2 VAL 564 -9.127 12.262 -0.410 254 HG23 VAL 564 2HG2 VAL 564 -9.970 13.201 0.860 255 H PHE 565 H PHE 565 -11.439 8.595 2.245 256 HA PHE 565 HA PHE 565 -13.729 7.731 0.558 257 HB2 PHE 565 2HB PHE 565 -12.209 5.926 2.466 258 HB3 PHE 565 3HB PHE 565 -13.785 5.554 1.780 259 HD1 PHE 565 2HD PHE 565 -10.182 6.144 0.901 260 HD2 PHE 565 1HD PHE 565 -14.025 4.703 -0.444 261 HE1 PHE 565 2HE PHE 565 -9.117 5.141 -1.115 262 HE2 PHE 565 1HE PHE 565 -12.935 3.678 -2.428 263 HZ PHE 565 HZ PHE 565 -10.481 3.866 -2.734 264 H GLN 566 H GLN 566 -15.701 7.674 1.566 265 HA GLN 566 HA GLN 566 -15.903 9.218 4.096 266 HB2 GLN 566 2HB GLN 566 -18.013 8.499 2.055 267 HB3 GLN 566 3HB GLN 566 -18.198 9.643 3.391 268 HG2 GLN 566 2HG GLN 566 -16.617 9.930 0.825 269 HG3 GLN 566 3HG GLN 566 -18.005 10.873 1.362 270 HE21 GLN 566 HE21 GLN 566 -14.710 11.089 0.998 271 HE22 GLN 566 HE22 GLN 566 -14.347 11.967 2.485 272 HA PRO 567 HA PRO 567 -16.984 5.998 6.723 273 HB2 PRO 567 2HB PRO 567 -19.597 7.143 7.624 274 HB3 PRO 567 3HB PRO 567 -18.130 6.788 8.566 275 HG2 PRO 567 2HG PRO 567 -18.919 9.334 7.846 276 HG3 PRO 567 3HG PRO 567 -17.213 8.876 8.054 277 HD2 PRO 567 2HD PRO 567 -18.765 9.247 5.531 278 HD3 PRO 567 3HD PRO 567 -17.050 9.585 5.864 279 H GLY 568 H GLY 568 -17.536 3.980 6.070 280 HA2 GLY 568 2HA GLY 568 -19.288 2.300 6.212 281 HA3 GLY 568 3HA GLY 568 -20.352 3.367 5.292 282 H ASP 569 H ASP 569 -17.803 4.040 3.573 283 HA ASP 569 HA ASP 569 -18.471 2.155 1.525 284 HB2 ASP 569 2HB ASP 569 -16.540 4.496 1.693 285 HB3 ASP 569 3HB ASP 569 -16.619 3.452 0.282 286 H TYR 570 H TYR 570 -17.357 0.568 0.668 287 HA TYR 570 HA TYR 570 -14.970 -0.573 1.924 288 HB2 TYR 570 2HB TYR 570 -16.522 -1.247 -0.571 289 HB3 TYR 570 3HB TYR 570 -14.940 -1.947 -0.252 290 HD1 TYR 570 HD1 TYR 570 -18.424 -1.712 1.030 291 HD2 TYR 570 HD2 TYR 570 -14.560 -3.566 1.487 292 HE1 TYR 570 HE1 TYR 570 -19.377 -3.285 2.704 293 HE2 TYR 570 HE2 TYR 570 -15.526 -5.143 3.179 294 HH TYR 570 HH TYR 570 -18.952 -5.007 4.172 295 H ILE 571 H ILE 571 -12.873 -0.284 1.446 296 HA ILE 571 HA ILE 571 -12.234 2.001 -0.349 297 HB ILE 571 HB ILE 571 -10.158 2.120 0.900 298 HG12 ILE 571 2HG1 ILE 571 -11.147 0.184 3.012 299 HG13 ILE 571 3HG1 ILE 571 -10.377 -0.489 1.590 300 HG21 ILE 571 1HG2 ILE 571 -12.205 3.321 1.709 301 HG22 ILE 571 2HG2 ILE 571 -12.521 2.007 2.832 302 HG23 ILE 571 3HG2 ILE 571 -11.031 2.968 2.991 303 HD11 ILE 571 3HD1 ILE 571 -9.137 1.539 3.430 304 HD12 ILE 571 1HD1 ILE 571 -8.738 -0.193 3.254 305 HD13 ILE 571 2HD1 ILE 571 -8.416 0.927 1.913 306 H ILE 572 H ILE 572 -11.602 -1.398 0.032 307 HA ILE 572 HA ILE 572 -9.917 -1.546 -2.406 308 HB ILE 572 HB ILE 572 -9.416 -2.833 0.289 309 HG12 ILE 572 2HG1 ILE 572 -7.738 -0.935 -1.404 310 HG13 ILE 572 3HG1 ILE 572 -8.649 -0.468 0.001 311 HG21 ILE 572 1HG2 ILE 572 -9.035 -4.455 -1.573 312 HG22 ILE 572 2HG2 ILE 572 -7.959 -3.270 -2.350 313 HG23 ILE 572 3HG2 ILE 572 -7.533 -3.983 -0.779 314 HD11 ILE 572 3HD1 ILE 572 -6.217 -2.262 0.039 315 HD12 ILE 572 1HD1 ILE 572 -6.428 -0.624 0.732 316 HD13 ILE 572 2HD1 ILE 572 -7.302 -1.984 1.434 317 H ARG 573 H ARG 573 -11.156 -2.770 -3.770 318 HA ARG 573 HA ARG 573 -11.875 -5.461 -2.988 319 HB2 ARG 573 2HB ARG 573 -13.963 -3.415 -3.905 320 HB3 ARG 573 3HB ARG 573 -14.201 -5.108 -4.255 321 HG2 ARG 573 2HG ARG 573 -14.008 -3.902 -1.463 322 HG3 ARG 573 3HG ARG 573 -15.457 -4.421 -2.271 323 HD2 ARG 573 2HD ARG 573 -13.157 -6.255 -1.506 324 HD3 ARG 573 3HD ARG 573 -14.690 -6.104 -0.650 325 HE ARG 573 HE ARG 573 -15.819 -6.818 -2.780 326 HH11 ARG 573 1HH1 ARG 573 -12.489 -8.039 -2.297 327 HH12 ARG 573 2HH1 ARG 573 -12.777 -9.248 -3.536 328 HH21 ARG 573 1HH2 ARG 573 -15.985 -8.532 -4.186 329 HH22 ARG 573 2HH2 ARG 573 -14.541 -9.492 -4.491 330 H GLU 574 H GLU 574 -11.908 -6.885 -4.602 331 HA GLU 574 HA GLU 574 -10.180 -6.036 -6.754 332 HB2 GLU 574 2HB GLU 574 -10.879 -8.682 -5.483 333 HB3 GLU 574 3HB GLU 574 -9.862 -8.593 -6.922 334 HG2 GLU 574 2HG GLU 574 -8.493 -8.627 -4.871 335 HG3 GLU 574 3HG GLU 574 -8.243 -7.166 -5.816 336 H GLY 575 H GLY 575 -10.077 -7.361 -8.798 337 HA2 GLY 575 2HA GLY 575 -12.251 -8.334 -10.227 338 HA3 GLY 575 3HA GLY 575 -12.373 -6.586 -10.402 339 H THR 576 H THR 576 -9.025 -7.109 -10.310 340 HA THR 576 HA THR 576 -8.780 -7.965 -13.124 341 HB THR 576 HB THR 576 -9.341 -5.600 -13.309 342 HG1 THR 576 1HG THR 576 -7.910 -5.227 -14.814 343 HG21 THR 576 1HG2 THR 576 -7.723 -3.859 -12.708 344 HG22 THR 576 2HG2 THR 576 -6.665 -5.065 -11.946 345 HG23 THR 576 3HG2 THR 576 -8.262 -4.709 -11.252 346 H ILE 577 H ILE 577 -6.532 -7.973 -13.899 347 HA ILE 577 HA ILE 577 -4.840 -9.244 -11.841 348 HB ILE 577 HB ILE 577 -4.608 -9.079 -14.868 349 HG12 ILE 577 2HG1 ILE 577 -4.667 -11.574 -14.667 350 HG13 ILE 577 3HG1 ILE 577 -4.996 -11.425 -12.944 351 HG21 ILE 577 1HG2 ILE 577 -2.618 -10.572 -14.639 352 HG22 ILE 577 2HG2 ILE 577 -2.317 -8.970 -13.983 353 HG23 ILE 577 3HG2 ILE 577 -2.648 -10.324 -12.881 354 HD11 ILE 577 3HD1 ILE 577 -7.203 -10.442 -13.470 355 HD12 ILE 577 1HD1 ILE 577 -6.806 -10.464 -15.207 356 HD13 ILE 577 2HD1 ILE 577 -6.979 -11.981 -14.289 357 H GLY 578 H GLY 578 -3.388 -8.036 -10.701 358 HA2 GLY 578 2HA GLY 578 -1.406 -6.815 -10.498 359 HA3 GLY 578 3HA GLY 578 -1.651 -6.089 -12.086 360 H LYS 579 H LYS 579 -1.823 -5.592 -8.786 361 HA LYS 579 HA LYS 579 -3.645 -3.288 -9.046 362 HB2 LYS 579 2HB LYS 579 -4.831 -5.235 -8.074 363 HB3 LYS 579 3HB LYS 579 -3.712 -5.230 -6.704 364 HG2 LYS 579 2HG LYS 579 -4.530 -3.104 -5.928 365 HG3 LYS 579 3HG LYS 579 -5.316 -2.765 -7.477 366 HD2 LYS 579 2HD LYS 579 -6.880 -4.686 -7.039 367 HD3 LYS 579 3HD LYS 579 -6.192 -4.828 -5.408 368 HE2 LYS 579 2HE LYS 579 -6.909 -2.578 -4.836 369 HE3 LYS 579 3HE LYS 579 -7.315 -2.217 -6.518 370 HZ1 LYS 579 3HZ LYS 579 -9.090 -3.838 -6.406 371 HZ2 LYS 579 1HZ LYS 579 -9.307 -2.717 -5.245 372 HZ3 LYS 579 2HZ LYS 579 -8.739 -4.224 -4.845 373 H LYS 580 H LYS 580 -3.309 -1.603 -7.516 374 HA LYS 580 HA LYS 580 -0.529 -1.122 -6.854 375 HB2 LYS 580 2HB LYS 580 -1.273 1.135 -6.443 376 HB3 LYS 580 3HB LYS 580 -2.046 0.541 -7.907 377 HG2 LYS 580 2HG LYS 580 -4.142 0.108 -6.596 378 HG3 LYS 580 3HG LYS 580 -3.322 0.703 -5.134 379 HD2 LYS 580 2HD LYS 580 -2.913 2.872 -6.283 380 HD3 LYS 580 3HD LYS 580 -3.896 2.298 -7.660 381 HE2 LYS 580 2HE LYS 580 -5.797 1.891 -6.027 382 HE3 LYS 580 3HE LYS 580 -4.792 2.622 -4.762 383 HZ1 LYS 580 3HZ LYS 580 -4.702 4.609 -6.343 384 HZ2 LYS 580 1HZ LYS 580 -6.107 4.369 -5.534 385 HZ3 LYS 580 2HZ LYS 580 -5.977 3.948 -7.123 386 H MET 581 H MET 581 -0.028 0.160 -4.833 387 HA MET 581 HA MET 581 -0.904 -1.386 -2.431 388 HB2 MET 581 2HB MET 581 1.444 -1.538 -3.033 389 HB3 MET 581 3HB MET 581 1.626 0.215 -2.962 390 HG2 MET 581 2HG MET 581 0.647 -1.337 -0.549 391 HG3 MET 581 3HG MET 581 2.360 -1.304 -0.955 392 HE1 MET 581 3HE MET 581 0.794 -0.209 1.787 393 HE2 MET 581 1HE MET 581 2.558 -0.407 1.629 394 HE3 MET 581 2HE MET 581 1.878 1.156 2.142 395 H TYR 582 H TYR 582 -1.473 -0.305 -0.495 396 HA TYR 582 HA TYR 582 -2.260 2.565 -0.708 397 HB2 TYR 582 2HB TYR 582 -4.057 0.337 0.283 398 HB3 TYR 582 3HB TYR 582 -4.445 2.040 0.223 399 HD1 TYR 582 HD1 TYR 582 -3.691 -0.953 -1.933 400 HD2 TYR 582 HD2 TYR 582 -5.722 2.841 -1.571 401 HE1 TYR 582 HE1 TYR 582 -5.086 -1.514 -3.900 402 HE2 TYR 582 HE2 TYR 582 -7.185 2.232 -3.475 403 HH TYR 582 HH TYR 582 -7.861 0.521 -4.836 404 H PHE 583 H PHE 583 -2.228 3.701 1.276 405 HA PHE 583 HA PHE 583 -2.098 2.202 3.814 406 HB2 PHE 583 2HB PHE 583 -0.013 3.244 4.551 407 HB3 PHE 583 3HB PHE 583 0.178 2.173 3.202 408 HD1 PHE 583 2HD PHE 583 0.488 3.150 0.838 409 HD2 PHE 583 1HD PHE 583 0.845 5.495 4.432 410 HE1 PHE 583 2HE PHE 583 1.988 4.713 -0.346 411 HE2 PHE 583 1HE PHE 583 2.340 7.077 3.225 412 HZ PHE 583 HZ PHE 583 2.950 6.672 0.859 413 H ILE 584 H ILE 584 -2.194 3.545 5.766 414 HA ILE 584 HA ILE 584 -4.348 5.466 5.239 415 HB ILE 584 HB ILE 584 -3.589 4.238 7.918 416 HG12 ILE 584 2HG1 ILE 584 -5.394 3.161 5.691 417 HG13 ILE 584 3HG1 ILE 584 -3.930 2.411 6.309 418 HG21 ILE 584 1HG2 ILE 584 -5.203 6.248 7.847 419 HG22 ILE 584 2HG2 ILE 584 -6.269 5.300 6.799 420 HG23 ILE 584 3HG2 ILE 584 -5.949 4.777 8.459 421 HD11 ILE 584 3HD1 ILE 584 -6.626 2.541 7.597 422 HD12 ILE 584 1HD1 ILE 584 -5.532 1.158 7.295 423 HD13 ILE 584 2HD1 ILE 584 -5.167 2.319 8.580 424 H GLN 585 H GLN 585 -4.151 7.579 5.299 425 HA GLN 585 HA GLN 585 -1.712 8.826 6.399 426 HB2 GLN 585 2HB GLN 585 -2.599 9.211 4.086 427 HB3 GLN 585 3HB GLN 585 -3.994 10.019 4.763 428 HG2 GLN 585 2HG GLN 585 -1.148 10.978 5.204 429 HG3 GLN 585 3HG GLN 585 -2.158 11.486 3.859 430 HE21 GLN 585 HE21 GLN 585 -1.618 11.883 7.296 431 HE22 GLN 585 HE22 GLN 585 -2.735 13.244 7.458 432 H HIS 586 H HIS 586 -5.264 9.296 6.691 433 HA HIS 586 HA HIS 586 -5.031 9.799 9.587 434 HB2 HIS 586 2HB HIS 586 -4.571 12.027 8.646 435 HB3 HIS 586 3HB HIS 586 -6.041 11.919 7.676 436 HD1 HIS 586 1HD HIS 586 -4.899 12.755 11.196 437 HD2 HIS 586 2HD HIS 586 -8.421 12.207 8.955 438 HE1 HIS 586 1HE HIS 586 -6.833 13.566 12.665 439 H GLY 587 H GLY 587 -6.566 8.298 10.250 440 HA2 GLY 587 2HA GLY 587 -9.132 8.803 10.594 441 HA3 GLY 587 3HA GLY 587 -9.213 8.145 8.967 442 H VAL 588 H VAL 588 -10.546 6.477 9.975 443 HA VAL 588 HA VAL 588 -8.967 4.272 11.127 444 HB VAL 588 HB VAL 588 -11.644 5.199 12.259 445 HG11 VAL 588 1HG1 VAL 588 -9.807 2.971 13.228 446 HG12 VAL 588 2HG1 VAL 588 -11.270 3.547 14.039 447 HG13 VAL 588 3HG1 VAL 588 -11.409 2.752 12.479 448 HG21 VAL 588 3HG2 VAL 588 -10.360 5.677 14.339 449 HG22 VAL 588 1HG2 VAL 588 -8.847 5.347 13.463 450 HG23 VAL 588 2HG2 VAL 588 -9.879 6.720 13.008 451 H VAL 589 H VAL 589 -9.775 2.182 10.622 452 HA VAL 589 HA VAL 589 -12.063 1.963 8.725 453 HB VAL 589 HB VAL 589 -10.798 0.565 7.199 454 HG11 VAL 589 1HG1 VAL 589 -9.472 2.221 6.086 455 HG12 VAL 589 2HG1 VAL 589 -10.848 3.052 6.823 456 HG13 VAL 589 3HG1 VAL 589 -9.248 3.150 7.584 457 HG21 VAL 589 3HG2 VAL 589 -9.135 -0.421 8.654 458 HG22 VAL 589 1HG2 VAL 589 -8.338 0.390 7.316 459 HG23 VAL 589 2HG2 VAL 589 -8.371 1.170 8.909 460 H SER 590 H SER 590 -13.100 0.033 8.676 461 HA SER 590 HA SER 590 -12.188 -2.136 10.568 462 HB2 SER 590 2HB SER 590 -14.916 -1.704 9.304 463 HB3 SER 590 3HB SER 590 -14.389 -3.147 10.203 464 HG SER 590 HG SER 590 -14.741 -0.523 11.216 465 H VAL 591 H VAL 591 -11.115 -3.735 9.712 466 HA VAL 591 HA VAL 591 -11.188 -4.654 6.905 467 HB VAL 591 HB VAL 591 -10.002 -6.063 9.326 468 HG11 VAL 591 1HG1 VAL 591 -9.373 -6.167 6.356 469 HG12 VAL 591 2HG1 VAL 591 -8.429 -6.992 7.612 470 HG13 VAL 591 3HG1 VAL 591 -10.102 -7.458 7.334 471 HG21 VAL 591 3HG2 VAL 591 -8.965 -3.854 9.340 472 HG22 VAL 591 1HG2 VAL 591 -7.832 -5.110 8.858 473 HG23 VAL 591 2HG2 VAL 591 -8.530 -4.035 7.617 474 H LEU 592 H LEU 592 -12.294 -6.487 6.218 475 HA LEU 592 HA LEU 592 -13.834 -8.085 8.265 476 HB2 LEU 592 2HB LEU 592 -14.499 -7.283 5.409 477 HB3 LEU 592 3HB LEU 592 -15.155 -8.746 6.095 478 HG LEU 592 HG LEU 592 -16.746 -6.935 6.136 479 HD11 LEU 592 1HD1 LEU 592 -15.913 -7.779 8.934 480 HD12 LEU 592 2HD1 LEU 592 -16.896 -8.729 7.806 481 HD13 LEU 592 3HD1 LEU 592 -17.514 -7.194 8.438 482 HD21 LEU 592 3HD2 LEU 592 -16.618 -5.024 7.566 483 HD22 LEU 592 1HD2 LEU 592 -15.184 -5.023 6.521 484 HD23 LEU 592 2HD2 LEU 592 -15.055 -5.528 8.223 485 H THR 593 H THR 593 -13.184 -10.240 8.496 486 HA THR 593 HA THR 593 -11.734 -11.432 6.156 487 HB THR 593 HB THR 593 -10.965 -13.133 7.976 488 HG1 THR 593 1HG THR 593 -10.514 -12.191 9.881 489 HG21 THR 593 1HG2 THR 593 -9.476 -11.818 6.601 490 HG22 THR 593 2HG2 THR 593 -8.926 -11.798 8.274 491 HG23 THR 593 3HG2 THR 593 -9.758 -10.372 7.605 492 H LYS 594 H LYS 594 -12.422 -13.145 5.161 493 HA LYS 594 HA LYS 594 -15.014 -14.174 5.496 494 HB2 LYS 594 2HB LYS 594 -14.563 -15.686 3.793 495 HB3 LYS 594 3HB LYS 594 -13.656 -14.240 3.400 496 HG2 LYS 594 2HG LYS 594 -12.532 -16.796 4.600 497 HG3 LYS 594 3HG LYS 594 -12.478 -16.357 2.894 498 HD2 LYS 594 2HD LYS 594 -11.105 -14.317 3.560 499 HD3 LYS 594 3HD LYS 594 -10.970 -15.024 5.178 500 HE2 LYS 594 2HE LYS 594 -10.010 -16.254 2.556 501 HE3 LYS 594 3HE LYS 594 -8.999 -15.508 3.793 502 HZ1 LYS 594 3HZ LYS 594 -9.767 -17.283 5.341 503 HZ2 LYS 594 1HZ LYS 594 -8.958 -17.905 4.050 504 HZ3 LYS 594 2HZ LYS 594 -10.588 -17.990 4.110 505 H GLY 595 H GLY 595 -15.947 -15.889 6.465 506 HA2 GLY 595 2HA GLY 595 -16.114 -17.725 7.985 507 HA3 GLY 595 3HA GLY 595 -14.393 -17.530 8.387 508 H ASN 596 H ASN 596 -14.819 -14.526 8.642 509 HA ASN 596 HA ASN 596 -15.023 -14.944 11.589 510 HB2 ASN 596 2HB ASN 596 -12.952 -13.452 10.054 511 HB3 ASN 596 3HB ASN 596 -12.826 -13.982 11.669 512 HD21 ASN 596 HD21 ASN 596 -10.725 -14.524 10.092 513 HD22 ASN 596 HD22 ASN 596 -10.678 -16.256 9.851 514 H LYS 597 H LYS 597 -13.747 -12.281 11.922 515 HA LYS 597 HA LYS 597 -16.306 -10.830 12.055 516 HB2 LYS 597 2HB LYS 597 -13.900 -10.454 13.877 517 HB3 LYS 597 3HB LYS 597 -15.537 -9.911 14.144 518 HG2 LYS 597 2HG LYS 597 -15.559 -11.667 15.548 519 HG3 LYS 597 3HG LYS 597 -16.122 -12.511 14.116 520 HD2 LYS 597 2HD LYS 597 -13.212 -12.558 14.152 521 HD3 LYS 597 3HD LYS 597 -13.803 -12.986 15.765 522 HE2 LYS 597 2HE LYS 597 -15.360 -14.627 14.377 523 HE3 LYS 597 3HE LYS 597 -14.148 -14.321 13.104 524 HZ1 LYS 597 3HZ LYS 597 -13.478 -16.243 14.381 525 HZ2 LYS 597 1HZ LYS 597 -13.600 -15.428 15.807 526 HZ3 LYS 597 2HZ LYS 597 -12.433 -15.022 14.739 527 H GLU 598 H GLU 598 -15.952 -8.469 12.618 528 HA GLU 598 HA GLU 598 -14.148 -7.304 10.627 529 HB2 GLU 598 2HB GLU 598 -15.161 -5.225 10.842 530 HB3 GLU 598 3HB GLU 598 -16.465 -6.407 10.795 531 HG2 GLU 598 2HG GLU 598 -16.605 -6.237 13.320 532 HG3 GLU 598 3HG GLU 598 -15.403 -4.941 13.228 533 H MET 599 H MET 599 -12.460 -5.833 11.155 534 HA MET 599 HA MET 599 -11.417 -5.805 13.962 535 HB2 MET 599 2HB MET 599 -9.913 -6.703 11.479 536 HB3 MET 599 3HB MET 599 -9.173 -6.425 13.056 537 HG2 MET 599 2HG MET 599 -10.443 -8.188 14.061 538 HG3 MET 599 3HG MET 599 -11.373 -8.462 12.584 539 HE1 MET 599 3HE MET 599 -8.785 -10.071 10.123 540 HE2 MET 599 1HE MET 599 -10.374 -9.304 10.293 541 HE3 MET 599 2HE MET 599 -8.897 -8.304 10.276 542 H LYS 600 H LYS 600 -10.294 -3.943 14.484 543 HA LYS 600 HA LYS 600 -10.514 -1.773 12.539 544 HB2 LYS 600 2HB LYS 600 -10.810 -2.066 15.388 545 HB3 LYS 600 3HB LYS 600 -9.536 -0.895 15.107 546 HG2 LYS 600 2HG LYS 600 -11.653 0.233 15.253 547 HG3 LYS 600 3HG LYS 600 -11.003 0.383 13.612 548 HD2 LYS 600 2HD LYS 600 -13.404 0.100 13.589 549 HD3 LYS 600 3HD LYS 600 -12.579 -1.223 12.768 550 HE2 LYS 600 2HE LYS 600 -12.988 -2.740 14.605 551 HE3 LYS 600 3HE LYS 600 -13.562 -1.424 15.636 552 HZ1 LYS 600 3HZ LYS 600 -15.377 -2.755 14.622 553 HZ2 LYS 600 1HZ LYS 600 -14.947 -2.187 13.121 554 HZ3 LYS 600 2HZ LYS 600 -15.467 -1.156 14.279 555 H LEU 601 H LEU 601 -9.113 -0.437 11.762 556 HA LEU 601 HA LEU 601 -6.203 -0.533 12.407 557 HB2 LEU 601 2HB LEU 601 -7.501 -1.211 9.836 558 HB3 LEU 601 3HB LEU 601 -6.403 0.149 9.680 559 HG LEU 601 HG LEU 601 -4.573 -1.261 10.641 560 HD11 LEU 601 1HD1 LEU 601 -4.975 -3.748 10.522 561 HD12 LEU 601 2HD1 LEU 601 -6.719 -3.396 10.374 562 HD13 LEU 601 3HD1 LEU 601 -5.818 -2.933 11.838 563 HD21 LEU 601 3HD2 LEU 601 -5.977 -2.388 8.171 564 HD22 LEU 601 1HD2 LEU 601 -4.257 -2.546 8.573 565 HD23 LEU 601 2HD2 LEU 601 -4.922 -0.957 8.178 566 H SER 602 H SER 602 -5.120 1.528 11.861 567 HA SER 602 HA SER 602 -6.859 3.897 11.453 568 HB2 SER 602 2HB SER 602 -5.878 4.974 13.485 569 HB3 SER 602 3HB SER 602 -6.939 3.605 13.835 570 HG SER 602 HG SER 602 -5.368 2.527 14.620 571 H ASP 603 H ASP 603 -5.327 5.979 11.689 572 HA ASP 603 HA ASP 603 -3.622 6.007 9.512 573 HB2 ASP 603 2HB ASP 603 -3.064 8.125 10.012 574 HB3 ASP 603 3HB ASP 603 -4.595 7.969 10.851 575 H GLY 604 H GLY 604 -1.453 5.798 9.026 576 HA2 GLY 604 2HA GLY 604 0.723 4.994 9.309 577 HA3 GLY 604 3HA GLY 604 0.464 4.941 11.054 578 H SER 605 H SER 605 -1.848 3.299 9.072 579 HA SER 605 HA SER 605 -0.515 0.640 9.432 580 HB2 SER 605 2HB SER 605 -3.451 1.331 9.233 581 HB3 SER 605 3HB SER 605 -2.798 -0.315 9.164 582 HG SER 605 HG SER 605 -2.583 1.510 11.347 583 H TYR 606 H TYR 606 -0.961 -0.911 7.684 584 HA TYR 606 HA TYR 606 -0.904 0.396 4.991 585 HB2 TYR 606 2HB TYR 606 1.109 -1.591 6.097 586 HB3 TYR 606 3HB TYR 606 1.146 -0.829 4.519 587 HD1 TYR 606 HD1 TYR 606 1.633 -0.279 8.171 588 HD2 TYR 606 HD2 TYR 606 2.078 1.411 4.239 589 HE1 TYR 606 HE1 TYR 606 3.055 1.525 9.106 590 HE2 TYR 606 HE2 TYR 606 3.559 3.171 5.150 591 HH TYR 606 HH TYR 606 4.553 4.042 7.031 592 H PHE 607 H PHE 607 -1.805 -0.731 3.340 593 HA PHE 607 HA PHE 607 -3.184 -3.287 3.990 594 HB2 PHE 607 2HB PHE 607 -3.637 -1.283 1.770 595 HB3 PHE 607 3HB PHE 607 -4.690 -2.615 2.176 596 HD1 PHE 607 2HD PHE 607 -5.465 -2.623 4.804 597 HD2 PHE 607 1HD PHE 607 -4.506 0.779 2.344 598 HE1 PHE 607 2HE PHE 607 -7.094 -1.240 6.056 599 HE2 PHE 607 1HE PHE 607 -6.222 2.101 3.483 600 HZ PHE 607 HZ PHE 607 -7.485 1.143 5.384 601 H GLY 608 H GLY 608 -3.875 -4.507 1.985 602 HA2 GLY 608 2HA GLY 608 -3.681 -5.289 -0.161 603 HA3 GLY 608 3HA GLY 608 -2.166 -4.427 -0.373 604 H GLU 609 H GLU 609 -2.039 -6.739 -1.520 605 HA GLU 609 HA GLU 609 -0.152 -8.253 0.196 606 HB2 GLU 609 2HB GLU 609 -2.213 -9.662 0.135 607 HB3 GLU 609 3HB GLU 609 -2.085 -9.724 -1.626 608 HG2 GLU 609 2HG GLU 609 0.385 -10.581 -1.173 609 HG3 GLU 609 3HG GLU 609 -0.174 -10.845 0.463 610 H ILE 610 H ILE 610 1.605 -7.423 -0.740 611 HA ILE 610 HA ILE 610 3.329 -7.197 -2.175 612 HB ILE 610 HB ILE 610 2.250 -9.906 -2.896 613 HG12 ILE 610 2HG1 ILE 610 4.738 -9.168 -1.385 614 HG13 ILE 610 3HG1 ILE 610 3.175 -9.316 -0.588 615 HG21 ILE 610 1HG2 ILE 610 4.625 -10.316 -3.842 616 HG22 ILE 610 2HG2 ILE 610 3.451 -9.549 -4.877 617 HG23 ILE 610 3HG2 ILE 610 4.702 -8.560 -4.056 618 HD11 ILE 610 3HD1 ILE 610 4.363 -11.381 -0.293 619 HD12 ILE 610 1HD1 ILE 610 2.988 -11.673 -1.375 620 HD13 ILE 610 2HD1 ILE 610 4.638 -11.563 -2.029 621 H CYS 611 H CYS 611 1.168 -8.599 -4.609 622 HA CYS 611 HA CYS 611 0.990 -8.313 -6.805 623 HB2 CYS 611 2HB CYS 611 0.808 -5.411 -5.986 624 HB3 CYS 611 3HB CYS 611 0.500 -6.026 -7.619 625 HG CYS 611 HG CYS 611 -0.902 -6.964 -4.760 626 H LEU 612 H LEU 612 3.619 -6.176 -5.724 627 HA LEU 612 HA LEU 612 4.797 -5.337 -7.949 628 HB2 LEU 612 2HB LEU 612 6.146 -6.520 -5.489 629 HB3 LEU 612 3HB LEU 612 7.073 -5.688 -6.736 630 HG LEU 612 HG LEU 612 4.724 -4.352 -5.382 631 HD11 LEU 612 1HD1 LEU 612 6.219 -4.993 -3.609 632 HD12 LEU 612 2HD1 LEU 612 6.322 -3.243 -3.901 633 HD13 LEU 612 3HD1 LEU 612 7.613 -4.317 -4.494 634 HD21 LEU 612 3HD2 LEU 612 5.616 -2.340 -6.179 635 HD22 LEU 612 1HD2 LEU 612 5.904 -3.393 -7.561 636 HD23 LEU 612 2HD2 LEU 612 7.239 -3.021 -6.461 637 H LEU 613 H LEU 613 5.346 -8.665 -6.793 638 HA LEU 613 HA LEU 613 6.278 -9.436 -9.494 639 HB2 LEU 613 2HB LEU 613 8.075 -10.826 -8.481 640 HB3 LEU 613 3HB LEU 613 8.268 -9.081 -8.477 641 HG LEU 613 HG LEU 613 7.851 -8.942 -6.093 642 HD11 LEU 613 1HD1 LEU 613 7.669 -10.996 -4.701 643 HD12 LEU 613 2HD1 LEU 613 7.480 -11.959 -6.183 644 HD13 LEU 613 3HD1 LEU 613 6.258 -10.753 -5.732 645 HD21 LEU 613 3HD2 LEU 613 9.846 -11.144 -6.750 646 HD22 LEU 613 1HD2 LEU 613 9.849 -10.114 -5.304 647 HD23 LEU 613 2HD2 LEU 613 10.142 -9.398 -6.897 648 H THR 614 H THR 614 3.832 -9.877 -7.776 649 HA THR 614 HA THR 614 3.658 -12.869 -7.943 650 HB THR 614 HB THR 614 1.556 -12.637 -6.608 651 HG1 THR 614 1HG THR 614 1.221 -10.826 -5.485 652 HG21 THR 614 1HG2 THR 614 3.457 -13.422 -5.506 653 HG22 THR 614 2HG2 THR 614 2.748 -12.184 -4.462 654 HG23 THR 614 3HG2 THR 614 4.198 -11.825 -5.440 655 H ARG 615 H ARG 615 1.611 -13.829 -8.695 656 HA ARG 615 HA ARG 615 0.779 -12.538 -11.274 657 HB2 ARG 615 2HB ARG 615 1.642 -15.332 -10.492 658 HB3 ARG 615 3HB ARG 615 0.532 -15.120 -11.830 659 HG2 ARG 615 2HG ARG 615 2.108 -13.847 -13.105 660 HG3 ARG 615 3HG ARG 615 3.152 -13.604 -11.701 661 HD2 ARG 615 2HD ARG 615 4.181 -15.216 -13.141 662 HD3 ARG 615 3HD ARG 615 3.691 -16.005 -11.638 663 HE ARG 615 HE ARG 615 1.624 -16.394 -13.595 664 HH11 ARG 615 1HH1 ARG 615 4.956 -17.430 -13.005 665 HH12 ARG 615 2HH1 ARG 615 4.684 -18.980 -13.760 666 HH21 ARG 615 1HH2 ARG 615 1.468 -18.341 -14.753 667 HH22 ARG 615 2HH2 ARG 615 2.864 -19.375 -14.874 668 H GLY 616 H GLY 616 -1.275 -12.607 -11.919 669 HA2 GLY 616 2HA GLY 616 -3.521 -12.979 -11.973 670 HA3 GLY 616 3HA GLY 616 -3.328 -14.244 -10.770 671 H ARG 617 H ARG 617 -5.595 -12.923 -10.707 672 HA ARG 617 HA ARG 617 -5.916 -10.494 -9.277 673 HB2 ARG 617 2HB ARG 617 -7.689 -12.956 -9.395 674 HB3 ARG 617 3HB ARG 617 -8.200 -11.380 -8.772 675 HG2 ARG 617 2HG ARG 617 -7.797 -10.317 -10.925 676 HG3 ARG 617 3HG ARG 617 -7.162 -11.821 -11.601 677 HD2 ARG 617 2HD ARG 617 -10.013 -11.420 -10.637 678 HD3 ARG 617 3HD ARG 617 -9.450 -11.318 -12.316 679 HE ARG 617 HE ARG 617 -9.024 -13.834 -10.724 680 HH11 ARG 617 1HH1 ARG 617 -10.722 -12.484 -13.532 681 HH12 ARG 617 2HH1 ARG 617 -10.709 -14.025 -14.320 682 HH21 ARG 617 1HH2 ARG 617 -9.313 -15.672 -11.624 683 HH22 ARG 617 2HH2 ARG 617 -10.161 -15.841 -13.158 684 H ARG 618 H ARG 618 -6.145 -9.866 -7.238 685 HA ARG 618 HA ARG 618 -5.526 -11.672 -4.969 686 HB2 ARG 618 2HB ARG 618 -6.131 -8.686 -5.054 687 HB3 ARG 618 3HB ARG 618 -5.707 -9.593 -3.609 688 HG2 ARG 618 2HG ARG 618 -3.902 -8.953 -5.959 689 HG3 ARG 618 3HG ARG 618 -3.816 -8.359 -4.309 690 HD2 ARG 618 2HD ARG 618 -2.214 -9.923 -4.090 691 HD3 ARG 618 3HD ARG 618 -3.575 -10.999 -3.758 692 HE ARG 618 HE ARG 618 -2.603 -10.661 -6.568 693 HH11 ARG 618 1HH1 ARG 618 -2.165 -12.781 -3.768 694 HH12 ARG 618 2HH1 ARG 618 -1.718 -14.075 -4.851 695 HH21 ARG 618 1HH2 ARG 618 -2.234 -12.440 -7.743 696 HH22 ARG 618 2HH2 ARG 618 -1.788 -13.927 -6.925 697 H THR 619 H THR 619 -6.978 -11.472 -2.990 698 HA THR 619 HA THR 619 -9.628 -10.310 -3.474 699 HB THR 619 HB THR 619 -10.059 -12.612 -4.058 700 HG1 THR 619 1HG THR 619 -11.781 -12.873 -2.749 701 HG21 THR 619 1HG2 THR 619 -9.995 -14.450 -2.534 702 HG22 THR 619 2HG2 THR 619 -9.458 -13.428 -1.192 703 HG23 THR 619 3HG2 THR 619 -8.371 -13.752 -2.561 704 H ALA 620 H ALA 620 -10.024 -8.900 -1.918 705 HA ALA 620 HA ALA 620 -9.528 -9.587 0.930 706 HB1 ALA 620 1HB ALA 620 -8.518 -7.353 1.271 707 HB2 ALA 620 2HB ALA 620 -7.566 -8.301 0.116 708 HB3 ALA 620 3HB ALA 620 -8.650 -7.021 -0.473 709 H SER 621 H SER 621 -10.621 -7.865 2.360 710 HA SER 621 HA SER 621 -12.733 -6.229 1.119 711 HB2 SER 621 2HB SER 621 -13.374 -8.590 2.924 712 HB3 SER 621 3HB SER 621 -14.464 -7.204 2.755 713 HG SER 621 HG SER 621 -13.454 -8.494 0.458 714 H VAL 622 H VAL 622 -12.246 -4.303 2.019 715 HA VAL 622 HA VAL 622 -12.426 -4.035 4.950 716 HB VAL 622 HB VAL 622 -10.118 -4.472 4.751 717 HG11 VAL 622 1HG1 VAL 622 -9.635 -4.108 2.419 718 HG12 VAL 622 2HG1 VAL 622 -9.915 -2.365 2.594 719 HG13 VAL 622 3HG1 VAL 622 -8.537 -3.140 3.401 720 HG21 VAL 622 3HG2 VAL 622 -9.093 -2.529 5.674 721 HG22 VAL 622 1HG2 VAL 622 -10.345 -1.459 5.006 722 HG23 VAL 622 2HG2 VAL 622 -10.747 -2.648 6.268 723 H ARG 623 H ARG 623 -13.093 -2.052 5.695 724 HA ARG 623 HA ARG 623 -13.959 -0.035 3.681 725 HB2 ARG 623 2HB ARG 623 -16.240 -0.153 4.364 726 HB3 ARG 623 3HB ARG 623 -15.724 -1.807 4.059 727 HG2 ARG 623 2HG ARG 623 -15.269 -1.945 6.593 728 HG3 ARG 623 3HG ARG 623 -16.156 -0.433 6.751 729 HD2 ARG 623 2HD ARG 623 -17.266 -2.973 5.484 730 HD3 ARG 623 3HD ARG 623 -17.509 -2.514 7.159 731 HE ARG 623 HE ARG 623 -18.481 -0.904 4.808 732 HH11 ARG 623 1HH1 ARG 623 -19.029 -1.844 8.188 733 HH12 ARG 623 2HH1 ARG 623 -20.626 -1.109 8.149 734 HH21 ARG 623 1HH2 ARG 623 -20.388 0.062 4.955 735 HH22 ARG 623 2HH2 ARG 623 -21.334 0.009 6.411 736 H ALA 624 H ALA 624 -14.804 1.895 4.507 737 HA ALA 624 HA ALA 624 -13.055 3.025 6.537 738 HB1 ALA 624 1HB ALA 624 -13.562 4.213 4.455 739 HB2 ALA 624 2HB ALA 624 -15.290 4.222 4.858 740 HB3 ALA 624 3HB ALA 624 -14.141 5.147 5.848 741 H ASP 625 H ASP 625 -13.462 3.472 8.631 742 HA ASP 625 HA ASP 625 -16.123 2.909 9.816 743 HB2 ASP 625 2HB ASP 625 -13.386 2.816 10.706 744 HB3 ASP 625 3HB ASP 625 -14.152 4.070 11.623 745 H THR 626 H THR 626 -14.246 5.488 8.680 746 HA THR 626 HA THR 626 -16.053 7.675 9.479 747 HB THR 626 HB THR 626 -14.679 7.213 11.473 748 HG1 THR 626 1HG THR 626 -13.564 9.586 10.725 749 HG21 THR 626 1HG2 THR 626 -12.296 7.897 9.721 750 HG22 THR 626 2HG2 THR 626 -12.662 6.331 10.501 751 HG23 THR 626 3HG2 THR 626 -12.281 7.747 11.496 752 H TYR 627 H TYR 627 -15.105 9.817 8.558 753 HA TYR 627 HA TYR 627 -14.340 9.477 5.786 754 HB2 TYR 627 2HB TYR 627 -15.765 11.268 6.420 755 HB3 TYR 627 3HB TYR 627 -14.673 11.783 7.670 756 HD1 TYR 627 HD2 TYR 627 -12.861 11.380 4.504 757 HD2 TYR 627 HD1 TYR 627 -15.442 13.938 6.824 758 HE1 TYR 627 HE2 TYR 627 -11.948 13.417 3.334 759 HE2 TYR 627 HE1 TYR 627 -14.618 15.925 5.572 760 HH TYR 627 HH TYR 627 -13.267 16.668 3.923 761 H CYS 628 H CYS 628 -12.441 8.733 5.241 762 HA CYS 628 HA CYS 628 -10.040 9.268 6.927 763 HB2 CYS 628 2HB CYS 628 -11.126 6.974 7.021 764 HB3 CYS 628 3HB CYS 628 -10.683 6.767 5.314 765 HG CYS 628 HG CYS 628 -9.029 5.420 6.777 766 H ARG 629 H ARG 629 -8.232 9.891 6.052 767 HA ARG 629 HA ARG 629 -7.891 10.337 3.110 768 HB2 ARG 629 2HB ARG 629 -6.100 11.051 5.486 769 HB3 ARG 629 3HB ARG 629 -5.868 11.590 3.836 770 HG2 ARG 629 2HG ARG 629 -8.303 12.384 5.506 771 HG3 ARG 629 3HG ARG 629 -6.778 13.253 5.561 772 HD2 ARG 629 2HD ARG 629 -6.889 13.691 3.146 773 HD3 ARG 629 3HD ARG 629 -8.425 12.816 3.066 774 HE ARG 629 HE ARG 629 -9.228 14.564 4.793 775 HH11 ARG 629 1HH1 ARG 629 -6.905 15.530 2.361 776 HH12 ARG 629 2HH1 ARG 629 -7.723 17.023 2.035 777 HH21 ARG 629 1HH2 ARG 629 -10.076 16.630 4.478 778 HH22 ARG 629 2HH2 ARG 629 -9.549 17.537 3.074 779 H LEU 630 H LEU 630 -6.863 8.878 1.974 780 HA LEU 630 HA LEU 630 -4.896 6.991 3.216 781 HB2 LEU 630 2HB LEU 630 -6.639 6.545 0.762 782 HB3 LEU 630 3HB LEU 630 -5.430 5.434 1.394 783 HG LEU 630 HG LEU 630 -8.080 6.179 2.695 784 HD11 LEU 630 1HD1 LEU 630 -8.559 3.791 2.405 785 HD12 LEU 630 2HD1 LEU 630 -6.946 3.526 1.692 786 HD13 LEU 630 3HD1 LEU 630 -8.144 4.522 0.852 787 HD21 LEU 630 3HD2 LEU 630 -7.469 4.452 4.416 788 HD22 LEU 630 1HD2 LEU 630 -6.499 5.919 4.510 789 HD23 LEU 630 2HD2 LEU 630 -5.811 4.457 3.762 790 H TYR 631 H TYR 631 -3.194 6.293 1.727 791 HA TYR 631 HA TYR 631 -2.538 8.211 -0.454 792 HB2 TYR 631 2HB TYR 631 -1.040 7.642 1.950 793 HB3 TYR 631 3HB TYR 631 -0.129 7.097 0.550 794 HD1 TYR 631 HD1 TYR 631 0.174 8.748 -1.393 795 HD2 TYR 631 HD2 TYR 631 -1.006 9.893 2.565 796 HE1 TYR 631 HE1 TYR 631 0.908 11.119 -1.856 797 HE2 TYR 631 HE2 TYR 631 -0.268 12.236 2.139 798 HH TYR 631 HH TYR 631 0.567 13.685 0.644 799 H SER 632 H SER 632 -1.823 7.281 -2.362 800 HA SER 632 HA SER 632 -1.949 4.307 -2.452 801 HB2 SER 632 2HB SER 632 -3.394 6.291 -4.244 802 HB3 SER 632 3HB SER 632 -3.323 4.533 -4.489 803 HG SER 632 HG SER 632 -5.246 5.257 -3.370 804 H LEU 633 H LEU 633 -0.376 3.374 -3.474 805 HA LEU 633 HA LEU 633 1.454 4.978 -5.227 806 HB2 LEU 633 2HB LEU 633 2.084 4.371 -2.762 807 HB3 LEU 633 3HB LEU 633 2.253 2.726 -3.340 808 HG LEU 633 HG LEU 633 3.864 5.173 -4.239 809 HD11 LEU 633 1HD1 LEU 633 5.694 4.092 -3.068 810 HD12 LEU 633 2HD1 LEU 633 4.660 2.712 -2.638 811 HD13 LEU 633 3HD1 LEU 633 4.337 4.325 -1.962 812 HD21 LEU 633 3HD2 LEU 633 4.084 2.257 -5.120 813 HD22 LEU 633 1HD2 LEU 633 5.343 3.485 -5.377 814 HD23 LEU 633 2HD2 LEU 633 3.777 3.675 -6.151 815 H SER 634 H SER 634 1.232 4.340 -7.238 816 HA SER 634 HA SER 634 0.141 1.850 -8.083 817 HB2 SER 634 2HB SER 634 1.176 2.537 -10.309 818 HB3 SER 634 3HB SER 634 -0.058 3.567 -9.570 819 HG SER 634 HG SER 634 2.351 4.224 -10.358 820 H VAL 635 H VAL 635 0.948 -0.080 -8.167 821 HA VAL 635 HA VAL 635 3.426 -0.842 -7.033 822 HB VAL 635 HB VAL 635 1.248 -2.245 -7.497 823 HG11 VAL 635 1HG1 VAL 635 3.141 -3.154 -9.709 824 HG12 VAL 635 2HG1 VAL 635 1.597 -3.900 -9.250 825 HG13 VAL 635 3HG1 VAL 635 1.574 -2.310 -10.046 826 HG21 VAL 635 3HG2 VAL 635 2.670 -4.224 -7.256 827 HG22 VAL 635 1HG2 VAL 635 4.010 -3.255 -7.947 828 HG23 VAL 635 2HG2 VAL 635 3.340 -2.874 -6.305 829 H ASP 636 H ASP 636 2.529 -0.338 -10.366 830 HA ASP 636 HA ASP 636 4.843 -1.594 -11.278 831 HB2 ASP 636 2HB ASP 636 3.106 0.498 -12.723 832 HB3 ASP 636 3HB ASP 636 4.242 -0.561 -13.543 833 H ASN 637 H ASN 637 4.263 1.700 -10.328 834 HA ASN 637 HA ASN 637 6.647 2.909 -11.461 835 HB2 ASN 637 2HB ASN 637 4.556 3.938 -9.522 836 HB3 ASN 637 3HB ASN 637 5.899 4.888 -10.156 837 HD21 ASN 637 HD21 ASN 637 6.060 5.246 -12.493 838 HD22 ASN 637 HD22 ASN 637 4.580 5.165 -13.449 839 H PHE 638 H PHE 638 5.942 1.147 -8.545 840 HA PHE 638 HA PHE 638 8.366 1.788 -7.031 841 HB2 PHE 638 2HB PHE 638 6.240 0.888 -6.108 842 HB3 PHE 638 3HB PHE 638 6.563 -0.600 -6.955 843 HD1 PHE 638 2HD PHE 638 9.261 -1.452 -6.379 844 HD2 PHE 638 1HD PHE 638 6.427 0.584 -3.850 845 HE1 PHE 638 2HE PHE 638 10.409 -2.336 -4.387 846 HE2 PHE 638 1HE PHE 638 7.576 -0.330 -1.851 847 HZ PHE 638 HZ PHE 638 9.601 -1.750 -2.112 848 H ASN 639 H ASN 639 7.274 -0.821 -9.273 849 HA ASN 639 HA ASN 639 9.825 -2.114 -9.467 850 HB2 ASN 639 2HB ASN 639 7.328 -2.082 -11.188 851 HB3 ASN 639 3HB ASN 639 8.740 -3.034 -11.628 852 HD21 ASN 639 HD21 ASN 639 5.861 -3.697 -10.582 853 HD22 ASN 639 HD22 ASN 639 6.281 -4.943 -9.416 854 H GLU 640 H GLU 640 8.603 0.715 -11.213 855 HA GLU 640 HA GLU 640 10.732 0.951 -13.118 856 HB2 GLU 640 2HB GLU 640 8.618 2.684 -11.897 857 HB3 GLU 640 3HB GLU 640 9.952 3.551 -12.569 858 HG2 GLU 640 2HG GLU 640 8.238 1.512 -14.065 859 HG3 GLU 640 3HG GLU 640 8.077 3.266 -14.180 860 H VAL 641 H VAL 641 10.635 1.851 -9.718 861 HA VAL 641 HA VAL 641 13.141 3.444 -9.941 862 HB VAL 641 HB VAL 641 11.378 4.507 -8.864 863 HG11 VAL 641 1HG1 VAL 641 10.421 3.808 -6.731 864 HG12 VAL 641 2HG1 VAL 641 10.009 2.752 -8.070 865 HG13 VAL 641 3HG1 VAL 641 11.228 2.232 -6.881 866 HG21 VAL 641 3HG2 VAL 641 12.413 5.262 -6.864 867 HG22 VAL 641 1HG2 VAL 641 13.242 3.733 -6.620 868 HG23 VAL 641 2HG2 VAL 641 13.738 4.801 -7.972 869 H LEU 642 H LEU 642 12.015 0.374 -8.711 870 HA LEU 642 HA LEU 642 14.356 -0.550 -7.373 871 HB2 LEU 642 2HB LEU 642 12.400 -1.904 -9.284 872 HB3 LEU 642 3HB LEU 642 13.786 -2.778 -8.666 873 HG LEU 642 HG LEU 642 11.577 -1.599 -6.937 874 HD11 LEU 642 1HD1 LEU 642 10.982 -3.956 -6.557 875 HD12 LEU 642 2HD1 LEU 642 12.316 -4.493 -7.602 876 HD13 LEU 642 3HD1 LEU 642 10.938 -3.620 -8.290 877 HD21 LEU 642 3HD2 LEU 642 13.695 -1.648 -5.695 878 HD22 LEU 642 1HD2 LEU 642 14.011 -3.296 -6.268 879 HD23 LEU 642 2HD2 LEU 642 12.673 -2.975 -5.144 880 H GLU 643 H GLU 643 13.813 -0.319 -10.875 881 HA GLU 643 HA GLU 643 16.287 -1.438 -11.696 882 HB2 GLU 643 2HB GLU 643 14.453 0.578 -13.027 883 HB3 GLU 643 3HB GLU 643 15.747 -0.272 -13.871 884 HG2 GLU 643 2HG GLU 643 13.720 -1.944 -12.394 885 HG3 GLU 643 3HG GLU 643 13.162 -1.073 -13.785 886 H GLU 644 H GLU 644 15.790 1.776 -10.307 887 HA GLU 644 HA GLU 644 18.227 2.923 -11.495 888 HB2 GLU 644 2HB GLU 644 16.333 3.792 -9.307 889 HB3 GLU 644 3HB GLU 644 17.738 4.714 -9.791 890 HG2 GLU 644 2HG GLU 644 15.945 3.911 -12.048 891 HG3 GLU 644 3HG GLU 644 15.199 4.886 -10.829 892 H TYR 645 H TYR 645 17.423 0.914 -8.850 893 HA TYR 645 HA TYR 645 20.155 1.061 -7.654 894 HB2 TYR 645 2HB TYR 645 17.559 0.815 -6.083 895 HB3 TYR 645 3HB TYR 645 19.193 0.878 -5.427 896 HD1 TYR 645 HD2 TYR 645 16.533 2.779 -7.143 897 HD2 TYR 645 HD1 TYR 645 20.320 3.026 -5.126 898 HE1 TYR 645 HE2 TYR 645 16.386 5.242 -7.236 899 HE2 TYR 645 HE1 TYR 645 20.153 5.515 -5.133 900 HH TYR 645 HH TYR 645 17.460 7.199 -6.830 901 HA PRO 646 HA PRO 646 18.241 -2.822 -9.377 902 HB2 PRO 646 2HB PRO 646 20.396 -3.907 -10.755 903 HB3 PRO 646 3HB PRO 646 19.278 -2.662 -11.387 904 HG2 PRO 646 2HG PRO 646 21.967 -2.233 -10.039 905 HG3 PRO 646 3HG PRO 646 21.378 -1.539 -11.591 906 HD2 PRO 646 2HD PRO 646 21.210 -0.085 -9.346 907 HD3 PRO 646 3HD PRO 646 19.826 -0.132 -10.472 908 H MET 647 H MET 647 20.835 -2.649 -7.046 909 HA MET 647 HA MET 647 21.038 -5.474 -6.485 910 HB2 MET 647 2HB MET 647 21.865 -4.840 -4.341 911 HB3 MET 647 3HB MET 647 22.505 -3.664 -5.508 912 HG2 MET 647 2HG MET 647 20.555 -2.188 -4.936 913 HG3 MET 647 3HG MET 647 20.107 -3.342 -3.677 914 HE1 MET 647 3HE MET 647 19.960 -0.652 -2.968 915 HE2 MET 647 1HE MET 647 19.811 -2.013 -1.846 916 HE3 MET 647 2HE MET 647 20.809 -0.605 -1.391 917 H MET 648 H MET 648 18.538 -3.046 -5.850 918 HA MET 648 HA MET 648 17.224 -4.472 -3.746 919 HB2 MET 648 2HB MET 648 16.259 -2.233 -5.550 920 HB3 MET 648 3HB MET 648 15.424 -2.773 -4.088 921 HG2 MET 648 2HG MET 648 18.280 -1.907 -3.832 922 HG3 MET 648 3HG MET 648 17.073 -0.691 -4.170 923 HE1 MET 648 3HE MET 648 16.386 -3.880 -1.717 924 HE2 MET 648 1HE MET 648 18.129 -3.518 -1.616 925 HE3 MET 648 2HE MET 648 17.063 -3.176 -0.238 926 H ARG 649 H ARG 649 16.811 -4.585 -7.275 927 HA ARG 649 HA ARG 649 14.355 -6.093 -7.382 928 HB2 ARG 649 2HB ARG 649 15.140 -5.215 -9.424 929 HB3 ARG 649 3HB ARG 649 16.756 -5.865 -9.209 930 HG2 ARG 649 2HG ARG 649 15.508 -7.031 -10.973 931 HG3 ARG 649 3HG ARG 649 16.064 -8.104 -9.707 932 HD2 ARG 649 2HD ARG 649 13.896 -8.824 -10.345 933 HD3 ARG 649 3HD ARG 649 13.742 -8.119 -8.740 934 HE ARG 649 HE ARG 649 13.250 -6.063 -10.648 935 HH11 ARG 649 1HH1 ARG 649 11.555 -9.119 -9.902 936 HH12 ARG 649 2HH1 ARG 649 10.043 -8.378 -10.381 937 HH21 ARG 649 1HH2 ARG 649 11.230 -5.343 -11.237 938 HH22 ARG 649 2HH2 ARG 649 9.854 -6.398 -10.989 939 H ARG 650 H ARG 650 17.728 -7.354 -7.454 940 HA ARG 650 HA ARG 650 16.836 -10.045 -7.200 941 HB2 ARG 650 2HB ARG 650 19.202 -10.581 -6.607 942 HB3 ARG 650 3HB ARG 650 19.003 -9.685 -8.114 943 HG2 ARG 650 2HG ARG 650 19.894 -7.686 -7.160 944 HG3 ARG 650 3HG ARG 650 19.762 -8.328 -5.508 945 HD2 ARG 650 2HD ARG 650 21.445 -10.022 -5.948 946 HD3 ARG 650 3HD ARG 650 21.539 -9.533 -7.643 947 HE ARG 650 HE ARG 650 22.930 -7.796 -7.082 948 HH11 ARG 650 1HH1 ARG 650 21.543 -8.791 -3.969 949 HH12 ARG 650 2HH1 ARG 650 22.719 -7.768 -3.135 950 HH21 ARG 650 1HH2 ARG 650 24.268 -6.667 -5.949 951 HH22 ARG 650 2HH2 ARG 650 24.143 -6.623 -4.170 952 H ALA 651 H ALA 651 17.668 -7.719 -4.756 953 HA ALA 651 HA ALA 651 17.686 -9.330 -2.442 954 HB1 ALA 651 1HB ALA 651 16.786 -6.428 -2.690 955 HB2 ALA 651 2HB ALA 651 17.392 -7.232 -1.236 956 HB3 ALA 651 3HB ALA 651 18.485 -6.955 -2.598 957 H PHE 652 H PHE 652 14.884 -7.997 -4.201 958 HA PHE 652 HA PHE 652 12.970 -9.165 -2.260 959 HB2 PHE 652 2HB PHE 652 12.813 -7.548 -4.814 960 HB3 PHE 652 3HB PHE 652 11.415 -8.480 -4.312 961 HD1 PHE 652 1HD PHE 652 10.356 -8.058 -2.030 962 HD2 PHE 652 2HD PHE 652 13.158 -5.367 -3.888 963 HE1 PHE 652 1HE PHE 652 9.414 -6.155 -0.723 964 HE2 PHE 652 2HE PHE 652 12.251 -3.487 -2.553 965 HZ PHE 652 HZ PHE 652 10.333 -3.856 -1.042 966 H GLU 653 H GLU 653 14.314 -10.019 -5.508 967 HA GLU 653 HA GLU 653 12.512 -12.186 -5.982 968 HB2 GLU 653 2HB GLU 653 15.376 -11.748 -6.890 969 HB3 GLU 653 3HB GLU 653 14.375 -13.057 -7.491 970 HG2 GLU 653 2HG GLU 653 13.651 -10.114 -7.725 971 HG3 GLU 653 3HG GLU 653 14.508 -11.020 -8.962 972 H THR 654 H THR 654 15.353 -12.103 -3.905 973 HA THR 654 HA THR 654 15.617 -14.994 -3.665 974 HB THR 654 HB THR 654 17.503 -13.522 -3.466 975 HG1 THR 654 1HG THR 654 18.470 -14.589 -1.926 976 HG21 THR 654 1HG2 THR 654 17.909 -12.233 -1.383 977 HG22 THR 654 2HG2 THR 654 16.220 -12.528 -0.900 978 HG23 THR 654 3HG2 THR 654 16.580 -11.598 -2.358 979 H VAL 655 H VAL 655 13.871 -12.561 -1.913 980 HA VAL 655 HA VAL 655 13.061 -14.361 0.283 981 HB VAL 655 HB VAL 655 13.614 -12.089 0.793 982 HG11 VAL 655 1HG1 VAL 655 11.445 -11.143 -1.024 983 HG12 VAL 655 2HG1 VAL 655 12.356 -10.162 0.150 984 HG13 VAL 655 3HG1 VAL 655 13.231 -10.959 -1.159 985 HG21 VAL 655 3HG2 VAL 655 10.588 -12.400 1.088 986 HG22 VAL 655 1HG2 VAL 655 11.782 -13.216 2.127 987 HG23 VAL 655 2HG2 VAL 655 11.673 -11.447 2.124 988 H ALA 656 H ALA 656 11.700 -12.968 -2.634 989 HA ALA 656 HA ALA 656 9.000 -13.564 -2.329 990 HB1 ALA 656 1HB ALA 656 8.922 -13.568 -4.797 991 HB2 ALA 656 2HB ALA 656 9.960 -12.273 -4.191 992 HB3 ALA 656 3HB ALA 656 10.687 -13.750 -4.869 993 H ILE 657 H ILE 657 11.557 -15.923 -3.170 994 HA ILE 657 HA ILE 657 9.659 -18.031 -3.759 995 HB ILE 657 HB ILE 657 11.570 -19.493 -3.948 996 HG12 ILE 657 2HG1 ILE 657 13.879 -18.629 -3.909 997 HG13 ILE 657 3HG1 ILE 657 13.329 -17.145 -3.142 998 HG21 ILE 657 1HG2 ILE 657 12.554 -18.413 -5.887 999 HG22 ILE 657 2HG2 ILE 657 10.827 -18.045 -5.811 1000 HG23 ILE 657 3HG2 ILE 657 12.023 -16.823 -5.326 1001 HD11 ILE 657 3HD1 ILE 657 12.900 -19.900 -1.899 1002 HD12 ILE 657 1HD1 ILE 657 14.376 -18.958 -1.645 1003 HD13 ILE 657 2HD1 ILE 657 12.832 -18.309 -1.093 1004 H ASP 658 H ASP 658 10.616 -16.766 -0.796 1005 HA ASP 658 HA ASP 658 9.684 -19.165 0.721 1006 HB2 ASP 658 2HB ASP 658 11.762 -18.152 1.500 1007 HB3 ASP 658 3HB ASP 658 10.987 -16.565 1.611 1008 H ARG 659 H ARG 659 8.888 -15.785 -0.025 1009 HA ARG 659 HA ARG 659 6.357 -15.815 1.469 1010 HB2 ARG 659 2HB ARG 659 7.895 -13.854 -0.211 1011 HB3 ARG 659 3HB ARG 659 6.144 -13.637 -0.127 1012 HG2 ARG 659 2HG ARG 659 7.321 -12.328 1.578 1013 HG3 ARG 659 3HG ARG 659 6.200 -13.489 2.292 1014 HD2 ARG 659 2HD ARG 659 8.041 -14.979 2.897 1015 HD3 ARG 659 3HD ARG 659 9.201 -13.949 2.042 1016 HE ARG 659 HE ARG 659 8.014 -12.222 3.863 1017 HH11 ARG 659 1HH1 ARG 659 9.705 -15.322 4.381 1018 HH12 ARG 659 2HH1 ARG 659 10.179 -14.775 5.978 1019 HH21 ARG 659 1HH2 ARG 659 8.631 -11.776 5.898 1020 HH22 ARG 659 2HH2 ARG 659 9.670 -12.925 6.762 1021 H LEU 660 H LEU 660 7.194 -17.316 -1.344 1022 HA LEU 660 HA LEU 660 4.665 -17.429 -2.720 1023 HB2 LEU 660 2HB LEU 660 6.773 -17.984 -3.720 1024 HB3 LEU 660 3HB LEU 660 7.114 -19.238 -2.541 1025 HG LEU 660 HG LEU 660 4.646 -19.535 -4.265 1026 HD11 LEU 660 1HD1 LEU 660 6.027 -20.609 -6.029 1027 HD12 LEU 660 2HD1 LEU 660 7.499 -20.088 -5.187 1028 HD13 LEU 660 3HD1 LEU 660 6.384 -18.885 -5.872 1029 HD21 LEU 660 3HD2 LEU 660 5.191 -21.272 -2.520 1030 HD22 LEU 660 1HD2 LEU 660 6.763 -21.525 -3.295 1031 HD23 LEU 660 2HD2 LEU 660 5.268 -21.926 -4.155 1032 H ASP 661 H ASP 661 5.784 -18.879 0.271 1033 HA ASP 661 HA ASP 661 4.320 -21.262 0.320 1034 HB2 ASP 661 2HB ASP 661 6.259 -20.570 1.746 1035 HB3 ASP 661 3HB ASP 661 5.168 -19.539 2.682 1036 H ARG 662 H ARG 662 2.728 -21.847 1.993 1037 HA ARG 662 HA ARG 662 0.155 -21.195 1.367 1038 HB2 ARG 662 2HB ARG 662 1.301 -22.325 3.941 1039 HB3 ARG 662 3HB ARG 662 -0.372 -22.520 3.457 1040 HG2 ARG 662 2HG ARG 662 0.075 -24.026 1.760 1041 HG3 ARG 662 3HG ARG 662 1.740 -23.503 1.523 1042 HD2 ARG 662 2HD ARG 662 0.761 -24.924 4.016 1043 HD3 ARG 662 3HD ARG 662 1.554 -25.724 2.637 1044 HE ARG 662 HE ARG 662 3.371 -23.829 3.180 1045 HH11 ARG 662 1HH1 ARG 662 1.942 -26.067 5.514 1046 HH12 ARG 662 2HH1 ARG 662 3.256 -25.724 6.641 1047 HH21 ARG 662 1HH2 ARG 662 4.822 -23.440 4.671 1048 HH22 ARG 662 2HH2 ARG 662 4.895 -24.412 6.125 1049 H ILE 663 H ILE 663 1.746 -18.779 2.880 1050 HA ILE 663 HA ILE 663 0.462 -18.185 5.281 1051 HB ILE 663 HB ILE 663 1.513 -16.305 3.189 1052 HG12 ILE 663 2HG1 ILE 663 3.370 -17.638 3.669 1053 HG13 ILE 663 3HG1 ILE 663 3.496 -16.282 4.792 1054 HG21 ILE 663 1HG2 ILE 663 1.094 -15.862 6.201 1055 HG22 ILE 663 2HG2 ILE 663 1.925 -14.725 5.117 1056 HG23 ILE 663 3HG2 ILE 663 0.219 -15.052 4.889 1057 HD11 ILE 663 3HD1 ILE 663 2.540 -19.039 5.520 1058 HD12 ILE 663 1HD1 ILE 663 4.106 -18.320 5.925 1059 HD13 ILE 663 2HD1 ILE 663 2.615 -17.649 6.624 1060 H GLY 664 H GLY 664 -1.429 -17.944 5.731 1061 HA2 GLY 664 2HA GLY 664 -3.669 -17.192 5.885 1062 HA3 GLY 664 3HA GLY 664 -3.329 -16.033 4.598 1063 H LYS 665 H LYS 665 -2.421 -18.773 3.140 1064 HA LYS 665 HA LYS 665 -5.123 -19.525 2.207 1065 HB2 LYS 665 2HB LYS 665 -4.411 -19.775 -0.033 1066 HB3 LYS 665 3HB LYS 665 -4.094 -18.151 0.496 1067 HG2 LYS 665 2HG LYS 665 -1.912 -20.285 0.398 1068 HG3 LYS 665 3HG LYS 665 -2.405 -19.394 -1.026 1069 HD2 LYS 665 2HD LYS 665 -1.094 -18.196 1.430 1070 HD3 LYS 665 3HD LYS 665 -0.359 -18.458 -0.120 1071 HE2 LYS 665 2HE LYS 665 -1.812 -16.825 -1.202 1072 HE3 LYS 665 3HE LYS 665 -2.753 -16.623 0.283 1073 HZ1 LYS 665 3HZ LYS 665 -1.104 -14.850 -0.024 1074 HZ2 LYS 665 1HZ LYS 665 0.123 -15.951 0.060 1075 HZ3 LYS 665 2HZ LYS 665 -0.845 -15.700 1.363 1076 H LYS 666 H LYS 666 -3.378 -20.777 4.261 1077 HA LYS 666 HA LYS 666 -2.529 -23.351 3.368 1078 HB2 LYS 666 2HB LYS 666 -1.898 -22.208 5.524 1079 HB3 LYS 666 3HB LYS 666 -3.527 -22.545 6.132 1080 HG2 LYS 666 2HG LYS 666 -3.089 -24.995 5.781 1081 HG3 LYS 666 3HG LYS 666 -1.446 -24.609 5.266 1082 HD2 LYS 666 2HD LYS 666 -0.909 -23.707 7.452 1083 HD3 LYS 666 3HD LYS 666 -2.584 -23.870 8.009 1084 HE2 LYS 666 2HE LYS 666 -0.927 -26.233 7.035 1085 HE3 LYS 666 3HE LYS 666 -0.884 -25.700 8.713 1086 HZ1 LYS 666 3HZ LYS 666 -2.499 -27.492 8.276 1087 HZ2 LYS 666 1HZ LYS 666 -3.410 -26.493 7.348 1088 HZ3 LYS 666 2HZ LYS 666 -3.184 -26.188 8.961 1089 H ASN 667 H ASN 667 -3.510 -25.260 3.139 1090 HA ASN 667 HA ASN 667 -5.054 -26.727 2.484 1091 HB2 ASN 667 2HB ASN 667 -6.786 -25.704 4.752 1092 HB3 ASN 667 3HB ASN 667 -6.870 -27.284 3.984 1093 HD21 ASN 667 HD21 ASN 667 -4.714 -28.638 4.158 1094 HD22 ASN 667 HD22 ASN 667 -3.916 -28.492 5.721 1095 H SER 668 H SER 668 -5.985 -23.454 2.151 1096 HA SER 668 HA SER 668 -8.579 -23.764 1.013 1097 HB2 SER 668 2HB SER 668 -6.606 -21.489 0.613 1098 HB3 SER 668 3HB SER 668 -8.366 -21.436 0.431 1099 HG SER 668 HG SER 668 -7.842 -20.615 2.438 1100 H ILE 669 H ILE 669 -9.256 -24.051 -1.000 1101 HA ILE 669 HA ILE 669 -9.374 -24.801 -3.079 1102 HB ILE 669 HB ILE 669 -8.864 -23.241 -4.740 1103 HG12 ILE 669 2HG1 ILE 669 -6.997 -21.687 -2.916 1104 HG13 ILE 669 3HG1 ILE 669 -6.417 -22.857 -4.105 1105 HG21 ILE 669 1HG2 ILE 669 -9.897 -21.267 -3.833 1106 HG22 ILE 669 2HG2 ILE 669 -10.583 -22.685 -3.034 1107 HG23 ILE 669 3HG2 ILE 669 -9.390 -21.673 -2.190 1108 HD11 ILE 669 3HD1 ILE 669 -7.569 -21.584 -5.918 1109 HD12 ILE 669 1HD1 ILE 669 -8.005 -20.337 -4.724 1110 HD13 ILE 669 2HD1 ILE 669 -6.306 -20.661 -5.090 1111 H LEU 670 H LEU 670 -8.404 -25.191 -5.277 1112 HA LEU 670 HA LEU 670 -5.807 -26.667 -5.097 1113 HB2 LEU 670 2HB LEU 670 -8.266 -27.249 -6.786 1114 HB3 LEU 670 3HB LEU 670 -6.754 -28.146 -6.855 1115 HG LEU 670 HG LEU 670 -8.577 -28.002 -4.412 1116 HD11 LEU 670 1HD1 LEU 670 -8.100 -30.257 -6.399 1117 HD12 LEU 670 2HD1 LEU 670 -9.554 -29.239 -6.319 1118 HD13 LEU 670 3HD1 LEU 670 -9.149 -30.305 -4.962 1119 HD21 LEU 670 3HD2 LEU 670 -6.136 -29.750 -4.966 1120 HD22 LEU 670 1HD2 LEU 670 -7.208 -29.861 -3.549 1121 HD23 LEU 670 2HD2 LEU 670 -6.211 -28.423 -3.795 1122 H LEU 671 H LEU 671 -4.705 -26.925 -7.112 1123 HA LEU 671 HA LEU 671 -3.921 -24.566 -8.414 1124 HB2 LEU 671 2HB LEU 671 -2.525 -26.504 -8.228 1125 HB3 LEU 671 3HB LEU 671 -3.696 -27.521 -9.055 1126 HG LEU 671 HG LEU 671 -3.226 -26.464 -11.191 1127 HD11 LEU 671 1HD1 LEU 671 -1.206 -24.747 -9.685 1128 HD12 LEU 671 2HD1 LEU 671 -2.641 -24.170 -10.563 1129 HD13 LEU 671 3HD1 LEU 671 -1.320 -24.900 -11.455 1130 HD21 LEU 671 3HD2 LEU 671 -1.853 -28.368 -10.446 1131 HD22 LEU 671 1HD2 LEU 671 -0.680 -27.245 -9.721 1132 HD23 LEU 671 2HD2 LEU 671 -0.931 -27.267 -11.481 1133 H HIS 672 H HIS 672 -4.588 -23.446 -10.075 1134 HA HIS 672 HA HIS 672 -5.600 -22.712 -11.969 1135 HB2 HIS 672 2HB HIS 672 -3.911 -24.101 -12.812 1136 HB3 HIS 672 3HB HIS 672 -4.830 -25.560 -12.561 1137 HD1 HIS 672 1HD HIS 672 -5.563 -22.377 -14.723 1138 HD2 HIS 672 2HD HIS 672 -5.348 -26.576 -14.843 1139 HE1 HIS 672 1HE HIS 672 -5.976 -23.047 -17.146 Start of MODEL 16 1 H ASN 534 H ASN 534 4.509 14.438 5.736 2 HA ASN 534 HA ASN 534 6.518 13.588 5.130 3 HB2 ASN 534 2HB ASN 534 6.470 12.493 7.963 4 HB3 ASN 534 3HB ASN 534 7.909 12.725 6.975 5 HD21 ASN 534 HD21 ASN 534 7.479 13.908 9.566 6 HD22 ASN 534 HD22 ASN 534 7.318 15.648 9.337 7 H CYS 535 H CYS 535 5.140 12.186 3.588 8 HA CYS 535 HA CYS 535 4.692 9.448 4.048 9 HB2 CYS 535 2HB CYS 535 3.767 10.865 2.186 10 HB3 CYS 535 3HB CYS 535 5.342 10.752 1.380 11 HG CYS 535 HG CYS 535 5.386 8.051 1.492 12 H ARG 536 H ARG 536 7.741 11.041 3.220 13 HA ARG 536 HA ARG 536 9.302 8.770 2.473 14 HB2 ARG 536 2HB ARG 536 11.210 10.094 2.994 15 HB3 ARG 536 3HB ARG 536 9.993 11.203 2.364 16 HG2 ARG 536 2HG ARG 536 9.403 11.792 4.775 17 HG3 ARG 536 3HG ARG 536 10.751 10.765 5.288 18 HD2 ARG 536 2HD ARG 536 12.304 12.201 3.962 19 HD3 ARG 536 3HD ARG 536 10.952 13.297 3.632 20 HE ARG 536 HE ARG 536 12.129 12.622 6.312 21 HH11 ARG 536 1HH1 ARG 536 10.408 15.065 4.436 22 HH12 ARG 536 2HH1 ARG 536 10.237 16.090 5.846 23 HH21 ARG 536 1HH2 ARG 536 11.631 13.786 7.995 24 HH22 ARG 536 2HH2 ARG 536 10.865 15.370 7.848 25 H LYS 537 H LYS 537 8.195 9.731 5.697 26 HA LYS 537 HA LYS 537 9.720 7.577 7.038 27 HB2 LYS 537 2HB LYS 537 9.409 9.704 8.187 28 HB3 LYS 537 3HB LYS 537 7.654 9.584 8.072 29 HG2 LYS 537 2HG LYS 537 9.187 7.347 9.389 30 HG3 LYS 537 3HG LYS 537 9.001 8.868 10.263 31 HD2 LYS 537 2HD LYS 537 6.596 8.708 10.261 32 HD3 LYS 537 3HD LYS 537 6.617 7.318 9.174 33 HE2 LYS 537 2HE LYS 537 7.984 6.075 10.933 34 HE3 LYS 537 3HE LYS 537 7.606 7.402 12.048 35 HZ1 LYS 537 3HZ LYS 537 5.639 5.655 10.650 36 HZ2 LYS 537 1HZ LYS 537 5.218 6.895 11.632 37 HZ3 LYS 537 2HZ LYS 537 6.014 5.553 12.217 38 H LEU 538 H LEU 538 6.426 8.275 5.977 39 HA LEU 538 HA LEU 538 5.112 6.174 7.362 40 HB2 LEU 538 2HB LEU 538 4.203 8.297 6.123 41 HB3 LEU 538 3HB LEU 538 4.190 7.289 4.691 42 HG LEU 538 HG LEU 538 2.001 7.358 5.551 43 HD11 LEU 538 1HD1 LEU 538 2.744 5.063 4.837 44 HD12 LEU 538 2HD1 LEU 538 1.386 5.087 5.974 45 HD13 LEU 538 3HD1 LEU 538 3.007 4.670 6.552 46 HD21 LEU 538 3HD2 LEU 538 3.027 6.465 8.268 47 HD22 LEU 538 1HD2 LEU 538 1.343 6.788 7.822 48 HD23 LEU 538 2HD2 LEU 538 2.516 8.113 7.839 49 H VAL 539 H VAL 539 6.085 6.246 3.890 50 HA VAL 539 HA VAL 539 5.581 3.444 3.396 51 HB VAL 539 HB VAL 539 5.896 5.514 1.812 52 HG11 VAL 539 1HG1 VAL 539 8.045 5.503 0.661 53 HG12 VAL 539 2HG1 VAL 539 8.263 5.900 2.390 54 HG13 VAL 539 3HG1 VAL 539 8.655 4.269 1.778 55 HG21 VAL 539 3HG2 VAL 539 6.355 3.884 -0.033 56 HG22 VAL 539 1HG2 VAL 539 6.637 2.654 1.226 57 HG23 VAL 539 2HG2 VAL 539 5.048 3.418 1.072 58 H ALA 540 H ALA 540 8.455 5.126 4.655 59 HA ALA 540 HA ALA 540 10.164 2.819 4.578 60 HB1 ALA 540 1HB ALA 540 10.394 5.368 6.208 61 HB2 ALA 540 2HB ALA 540 11.691 4.208 5.885 62 HB3 ALA 540 3HB ALA 540 11.002 5.137 4.544 63 H SER 541 H SER 541 7.460 3.272 6.609 64 HA SER 541 HA SER 541 8.673 2.333 9.084 65 HB2 SER 541 2HB SER 541 5.903 3.062 8.289 66 HB3 SER 541 3HB SER 541 6.373 2.549 9.891 67 HG SER 541 HG SER 541 7.443 4.780 8.489 68 H MET 542 H MET 542 7.752 0.864 6.279 69 HA MET 542 HA MET 542 6.532 -1.537 7.357 70 HB2 MET 542 2HB MET 542 7.009 -0.265 4.701 71 HB3 MET 542 3HB MET 542 7.004 -2.019 4.693 72 HG2 MET 542 2HG MET 542 4.841 -0.520 6.159 73 HG3 MET 542 3HG MET 542 4.767 -0.590 4.403 74 HE1 MET 542 3HE MET 542 2.977 -2.107 3.513 75 HE2 MET 542 1HE MET 542 4.563 -2.741 3.018 76 HE3 MET 542 2HE MET 542 3.301 -3.868 3.549 77 HA PRO 543 HA PRO 543 10.385 -3.900 7.544 78 HB2 PRO 543 2HB PRO 543 9.478 -6.442 7.119 79 HB3 PRO 543 3HB PRO 543 9.130 -5.529 8.620 80 HG2 PRO 543 2HG PRO 543 7.366 -5.791 6.158 81 HG3 PRO 543 3HG PRO 543 6.911 -6.091 7.874 82 HD2 PRO 543 2HD PRO 543 6.407 -3.735 6.646 83 HD3 PRO 543 3HD PRO 543 6.927 -3.707 8.344 84 H LEU 544 H LEU 544 8.276 -3.895 4.750 85 HA LEU 544 HA LEU 544 10.023 -5.038 2.796 86 HB2 LEU 544 2HB LEU 544 8.123 -2.745 2.255 87 HB3 LEU 544 3HB LEU 544 8.610 -4.059 1.211 88 HG LEU 544 HG LEU 544 6.623 -4.166 3.478 89 HD11 LEU 544 1HD1 LEU 544 5.066 -4.719 1.662 90 HD12 LEU 544 2HD1 LEU 544 6.386 -4.713 0.482 91 HD13 LEU 544 3HD1 LEU 544 5.908 -3.203 1.275 92 HD21 LEU 544 3HD2 LEU 544 6.191 -6.490 2.871 93 HD22 LEU 544 1HD2 LEU 544 7.841 -6.321 3.483 94 HD23 LEU 544 2HD2 LEU 544 7.564 -6.478 1.735 95 H PHE 545 H PHE 545 10.128 -1.975 4.467 96 HA PHE 545 HA PHE 545 12.300 -0.934 2.717 97 HB2 PHE 545 2HB PHE 545 10.168 0.588 4.239 98 HB3 PHE 545 3HB PHE 545 11.512 1.324 3.384 99 HD1 PHE 545 2HD PHE 545 8.352 -0.553 2.938 100 HD2 PHE 545 1HD PHE 545 11.433 1.770 1.040 101 HE1 PHE 545 2HE PHE 545 6.837 -0.129 1.022 102 HE2 PHE 545 1HE PHE 545 9.899 2.233 -0.864 103 HZ PHE 545 HZ PHE 545 7.558 1.393 -0.787 104 H ALA 546 H ALA 546 12.522 -2.682 5.143 105 HA ALA 546 HA ALA 546 13.233 -1.208 7.544 106 HB1 ALA 546 1HB ALA 546 12.625 -3.617 7.462 107 HB2 ALA 546 2HB ALA 546 14.008 -3.896 6.367 108 HB3 ALA 546 3HB ALA 546 14.292 -3.409 8.053 109 H ASN 547 H ASN 547 14.797 -2.136 4.618 110 HA ASN 547 HA ASN 547 17.511 -1.362 5.553 111 HB2 ASN 547 2HB ASN 547 16.618 -3.494 3.561 112 HB3 ASN 547 3HB ASN 547 18.205 -3.280 4.254 113 HD21 ASN 547 HD21 ASN 547 17.772 -3.056 6.974 114 HD22 ASN 547 HD22 ASN 547 16.933 -4.495 7.556 115 H ALA 548 H ALA 548 15.152 -0.111 3.863 116 HA ALA 548 HA ALA 548 16.076 0.373 1.229 117 HB1 ALA 548 1HB ALA 548 13.741 0.641 1.870 118 HB2 ALA 548 2HB ALA 548 14.156 1.977 2.973 119 HB3 ALA 548 3HB ALA 548 14.339 2.189 1.228 120 H ASP 549 H ASP 549 16.990 2.067 0.144 121 HA ASP 549 HA ASP 549 18.778 3.900 1.567 122 HB2 ASP 549 2HB ASP 549 19.500 2.706 -0.466 123 HB3 ASP 549 3HB ASP 549 18.230 3.491 -1.401 124 HA PRO 550 HA PRO 550 15.783 7.149 1.778 125 HB2 PRO 550 2HB PRO 550 17.354 9.416 1.952 126 HB3 PRO 550 3HB PRO 550 17.202 8.210 3.260 127 HG2 PRO 550 2HG PRO 550 19.350 8.332 1.115 128 HG3 PRO 550 3HG PRO 550 19.577 8.250 2.902 129 HD2 PRO 550 2HD PRO 550 19.688 6.012 1.458 130 HD3 PRO 550 3HD PRO 550 18.746 6.007 2.973 131 H ASN 551 H ASN 551 18.044 7.197 -0.994 132 HA ASN 551 HA ASN 551 16.417 9.251 -2.385 133 HB2 ASN 551 2HB ASN 551 18.677 7.499 -3.410 134 HB3 ASN 551 3HB ASN 551 17.936 8.860 -4.245 135 HD21 ASN 551 HD21 ASN 551 17.922 10.986 -2.860 136 HD22 ASN 551 HD22 ASN 551 19.464 11.360 -2.124 137 H PHE 552 H PHE 552 16.842 5.722 -2.402 138 HA PHE 552 HA PHE 552 15.160 5.057 -4.630 139 HB2 PHE 552 2HB PHE 552 16.551 3.342 -3.706 140 HB3 PHE 552 3HB PHE 552 16.002 3.658 -2.078 141 HD1 PHE 552 2HD PHE 552 14.551 2.521 -5.372 142 HD2 PHE 552 1HD PHE 552 14.464 2.254 -1.077 143 HE1 PHE 552 2HE PHE 552 12.773 0.798 -5.514 144 HE2 PHE 552 1HE PHE 552 12.684 0.521 -1.219 145 HZ PHE 552 HZ PHE 552 11.832 -0.194 -3.440 146 H VAL 553 H VAL 553 14.428 5.254 -1.148 147 HA VAL 553 HA VAL 553 11.644 4.692 -1.414 148 HB VAL 553 HB VAL 553 13.208 4.445 0.568 149 HG11 VAL 553 1HG1 VAL 553 13.449 6.180 2.165 150 HG12 VAL 553 2HG1 VAL 553 13.991 6.832 0.605 151 HG13 VAL 553 3HG1 VAL 553 12.390 7.281 1.260 152 HG21 VAL 553 3HG2 VAL 553 10.591 5.816 1.191 153 HG22 VAL 553 1HG2 VAL 553 10.757 4.107 0.727 154 HG23 VAL 553 2HG2 VAL 553 11.506 4.702 2.232 155 H THR 554 H THR 554 13.388 7.658 -1.747 156 HA THR 554 HA THR 554 11.054 9.428 -1.468 157 HB THR 554 HB THR 554 13.960 10.011 -2.139 158 HG1 THR 554 1HG THR 554 13.932 9.579 -0.078 159 HG21 THR 554 1HG2 THR 554 12.617 11.775 -3.080 160 HG22 THR 554 2HG2 THR 554 13.254 12.368 -1.536 161 HG23 THR 554 3HG2 THR 554 11.559 11.812 -1.647 162 H ALA 555 H ALA 555 13.182 8.182 -4.103 163 HA ALA 555 HA ALA 555 12.247 9.908 -6.145 164 HB1 ALA 555 1HB ALA 555 14.266 8.520 -6.339 165 HB2 ALA 555 2HB ALA 555 13.295 7.031 -6.261 166 HB3 ALA 555 3HB ALA 555 13.146 8.114 -7.657 167 H MET 556 H MET 556 10.802 7.119 -4.699 168 HA MET 556 HA MET 556 8.854 6.485 -6.736 169 HB2 MET 556 2HB MET 556 9.896 5.127 -4.766 170 HB3 MET 556 3HB MET 556 8.653 5.874 -3.758 171 HG2 MET 556 2HG MET 556 6.915 4.906 -5.260 172 HG3 MET 556 3HG MET 556 8.178 4.203 -6.262 173 HE1 MET 556 3HE MET 556 9.990 3.414 -3.125 174 HE2 MET 556 1HE MET 556 9.737 1.678 -3.410 175 HE3 MET 556 2HE MET 556 10.239 2.721 -4.757 176 H LEU 557 H LEU 557 8.949 8.998 -4.319 177 HA LEU 557 HA LEU 557 6.040 9.075 -3.969 178 HB2 LEU 557 2HB LEU 557 8.120 11.001 -2.848 179 HB3 LEU 557 3HB LEU 557 6.502 10.688 -2.232 180 HG LEU 557 HG LEU 557 8.881 8.804 -2.142 181 HD11 LEU 557 1HD1 LEU 557 7.412 10.251 0.084 182 HD12 LEU 557 2HD1 LEU 557 9.006 10.685 -0.575 183 HD13 LEU 557 3HD1 LEU 557 8.794 9.135 0.253 184 HD21 LEU 557 3HD2 LEU 557 7.453 7.360 -0.714 185 HD22 LEU 557 1HD2 LEU 557 6.806 7.476 -2.351 186 HD23 LEU 557 2HD2 LEU 557 6.058 8.419 -1.039 187 H THR 558 H THR 558 8.351 10.839 -5.982 188 HA THR 558 HA THR 558 7.009 13.373 -5.887 189 HB THR 558 HB THR 558 8.415 14.099 -7.702 190 HG1 THR 558 1HG THR 558 9.898 12.592 -8.591 191 HG21 THR 558 1HG2 THR 558 10.042 12.250 -5.903 192 HG22 THR 558 2HG2 THR 558 9.427 13.849 -5.424 193 HG23 THR 558 3HG2 THR 558 10.597 13.712 -6.743 194 H LYS 559 H LYS 559 6.161 10.595 -7.577 195 HA LYS 559 HA LYS 559 4.088 12.028 -9.185 196 HB2 LYS 559 2HB LYS 559 4.291 10.049 -10.783 197 HB3 LYS 559 3HB LYS 559 5.550 11.258 -10.769 198 HG2 LYS 559 2HG LYS 559 6.553 9.088 -11.017 199 HG3 LYS 559 3HG LYS 559 7.078 9.824 -9.531 200 HD2 LYS 559 2HD LYS 559 6.691 7.429 -9.258 201 HD3 LYS 559 3HD LYS 559 5.630 8.362 -8.212 202 HE2 LYS 559 2HE LYS 559 4.475 6.441 -9.237 203 HE3 LYS 559 3HE LYS 559 3.726 7.974 -9.671 204 HZ1 LYS 559 3HZ LYS 559 4.843 7.897 -11.821 205 HZ2 LYS 559 1HZ LYS 559 3.884 6.623 -11.590 206 HZ3 LYS 559 2HZ LYS 559 5.533 6.453 -11.471 207 H LEU 560 H LEU 560 4.049 10.844 -6.373 208 HA LEU 560 HA LEU 560 2.429 8.487 -6.527 209 HB2 LEU 560 2HB LEU 560 4.119 9.110 -4.788 210 HB3 LEU 560 3HB LEU 560 2.978 10.281 -4.123 211 HG LEU 560 HG LEU 560 1.458 8.461 -3.493 212 HD11 LEU 560 1HD1 LEU 560 1.742 6.925 -5.399 213 HD12 LEU 560 2HD1 LEU 560 2.183 6.102 -3.923 214 HD13 LEU 560 3HD1 LEU 560 3.478 6.775 -4.990 215 HD21 LEU 560 3HD2 LEU 560 4.242 7.369 -2.906 216 HD22 LEU 560 1HD2 LEU 560 2.786 7.214 -1.927 217 HD23 LEU 560 2HD2 LEU 560 3.579 8.801 -2.043 218 H LYS 561 H LYS 561 0.251 8.347 -5.340 219 HA LYS 561 HA LYS 561 -1.464 10.732 -5.869 220 HB2 LYS 561 2HB LYS 561 -1.346 8.674 -7.621 221 HB3 LYS 561 3HB LYS 561 -2.513 7.999 -6.499 222 HG2 LYS 561 2HG LYS 561 -3.950 9.028 -7.897 223 HG3 LYS 561 3HG LYS 561 -3.678 10.419 -6.851 224 HD2 LYS 561 2HD LYS 561 -2.270 9.819 -9.499 225 HD3 LYS 561 3HD LYS 561 -3.604 10.947 -9.279 226 HE2 LYS 561 2HE LYS 561 -2.202 12.376 -7.832 227 HE3 LYS 561 3HE LYS 561 -0.861 11.226 -7.983 228 HZ1 LYS 561 3HZ LYS 561 -0.854 11.631 -10.374 229 HZ2 LYS 561 1HZ LYS 561 -0.542 12.989 -9.574 230 HZ3 LYS 561 2HZ LYS 561 -2.038 12.768 -10.246 231 H PHE 562 H PHE 562 -3.284 10.997 -4.667 232 HA PHE 562 HA PHE 562 -3.694 9.184 -2.336 233 HB2 PHE 562 2HB PHE 562 -3.290 10.724 -0.872 234 HB3 PHE 562 3HB PHE 562 -2.535 11.672 -2.127 235 HD1 PHE 562 1HD PHE 562 -3.964 13.499 -3.278 236 HD2 PHE 562 2HD PHE 562 -5.215 11.433 0.288 237 HE1 PHE 562 1HE PHE 562 -5.627 15.287 -2.824 238 HE2 PHE 562 2HE PHE 562 -6.833 13.251 0.761 239 HZ PHE 562 HZ PHE 562 -7.064 15.164 -0.806 240 H GLU 563 H GLU 563 -5.774 9.255 -1.260 241 HA GLU 563 HA GLU 563 -8.018 10.407 -2.799 242 HB2 GLU 563 2HB GLU 563 -7.618 8.199 -3.843 243 HB3 GLU 563 3HB GLU 563 -7.691 7.426 -2.265 244 HG2 GLU 563 2HG GLU 563 -9.717 7.013 -3.480 245 HG3 GLU 563 3HG GLU 563 -10.069 7.976 -2.064 246 H VAL 564 H VAL 564 -10.017 10.429 -1.667 247 HA VAL 564 HA VAL 564 -9.919 9.998 1.276 248 HB VAL 564 HB VAL 564 -11.404 12.126 -0.277 249 HG11 VAL 564 1HG1 VAL 564 -12.045 13.120 1.703 250 HG12 VAL 564 2HG1 VAL 564 -12.596 11.477 1.808 251 HG13 VAL 564 3HG1 VAL 564 -11.140 11.936 2.722 252 HG21 VAL 564 3HG2 VAL 564 -8.869 12.157 1.380 253 HG22 VAL 564 1HG2 VAL 564 -9.100 12.725 -0.285 254 HG23 VAL 564 2HG2 VAL 564 -9.812 13.649 1.071 255 H PHE 565 H PHE 565 -11.594 9.163 2.249 256 HA PHE 565 HA PHE 565 -14.164 8.745 0.820 257 HB2 PHE 565 2HB PHE 565 -12.863 6.581 2.492 258 HB3 PHE 565 3HB PHE 565 -14.466 6.526 1.812 259 HD1 PHE 565 2HD PHE 565 -10.815 6.566 0.929 260 HD2 PHE 565 1HD PHE 565 -14.844 5.849 -0.456 261 HE1 PHE 565 2HE PHE 565 -9.934 5.468 -1.119 262 HE2 PHE 565 1HE PHE 565 -13.947 4.773 -2.503 263 HZ PHE 565 HZ PHE 565 -11.490 4.575 -2.831 264 H GLN 566 H GLN 566 -15.975 8.480 2.266 265 HA GLN 566 HA GLN 566 -15.717 9.953 4.861 266 HB2 GLN 566 2HB GLN 566 -17.992 9.711 2.825 267 HB3 GLN 566 3HB GLN 566 -18.157 10.433 4.392 268 HG2 GLN 566 2HG GLN 566 -17.960 12.266 3.136 269 HG3 GLN 566 3HG GLN 566 -16.351 12.067 3.833 270 HE21 GLN 566 HE21 GLN 566 -14.652 12.031 2.389 271 HE22 GLN 566 HE22 GLN 566 -14.939 11.971 0.650 272 HA PRO 567 HA PRO 567 -16.913 6.566 7.193 273 HB2 PRO 567 2HB PRO 567 -19.333 7.730 8.459 274 HB3 PRO 567 3HB PRO 567 -17.781 7.244 9.191 275 HG2 PRO 567 2HG PRO 567 -18.557 9.883 8.808 276 HG3 PRO 567 3HG PRO 567 -16.855 9.365 8.843 277 HD2 PRO 567 2HD PRO 567 -18.577 10.011 6.499 278 HD3 PRO 567 3HD PRO 567 -16.823 10.277 6.730 279 H GLY 568 H GLY 568 -17.660 4.711 6.362 280 HA2 GLY 568 2HA GLY 568 -19.485 3.134 6.244 281 HA3 GLY 568 3HA GLY 568 -20.530 4.402 5.611 282 H ASP 569 H ASP 569 -17.762 5.036 3.919 283 HA ASP 569 HA ASP 569 -18.862 3.623 1.648 284 HB2 ASP 569 2HB ASP 569 -18.277 6.096 1.750 285 HB3 ASP 569 3HB ASP 569 -16.584 5.617 1.650 286 H TYR 570 H TYR 570 -17.960 2.027 0.514 287 HA TYR 570 HA TYR 570 -15.775 0.459 1.573 288 HB2 TYR 570 2HB TYR 570 -17.530 0.262 -0.853 289 HB3 TYR 570 3HB TYR 570 -16.036 -0.659 -0.805 290 HD1 TYR 570 HD1 TYR 570 -15.635 -2.450 0.775 291 HD2 TYR 570 HD2 TYR 570 -19.341 -0.239 0.815 292 HE1 TYR 570 HE1 TYR 570 -16.648 -4.178 2.233 293 HE2 TYR 570 HE2 TYR 570 -20.353 -1.958 2.272 294 HH TYR 570 HH TYR 570 -20.091 -4.038 3.213 295 H ILE 571 H ILE 571 -13.757 1.015 1.548 296 HA ILE 571 HA ILE 571 -12.675 2.968 -0.289 297 HB ILE 571 HB ILE 571 -10.708 2.889 1.062 298 HG12 ILE 571 2HG1 ILE 571 -11.014 1.237 3.239 299 HG13 ILE 571 3HG1 ILE 571 -11.710 0.218 1.989 300 HG21 ILE 571 1HG2 ILE 571 -13.079 2.608 2.927 301 HG22 ILE 571 2HG2 ILE 571 -11.568 3.486 3.219 302 HG23 ILE 571 3HG2 ILE 571 -12.701 4.060 1.974 303 HD11 ILE 571 3HD1 ILE 571 -9.585 0.582 0.647 304 HD12 ILE 571 1HD1 ILE 571 -8.966 1.546 1.988 305 HD13 ILE 571 2HD1 ILE 571 -9.315 -0.179 2.226 306 H ILE 572 H ILE 572 -12.850 -0.413 -0.431 307 HA ILE 572 HA ILE 572 -10.284 -0.815 -1.806 308 HB ILE 572 HB ILE 572 -12.410 -2.554 -0.583 309 HG12 ILE 572 2HG1 ILE 572 -11.018 -1.679 0.990 310 HG13 ILE 572 3HG1 ILE 572 -10.777 -3.412 0.837 311 HG21 ILE 572 1HG2 ILE 572 -10.014 -3.656 -2.096 312 HG22 ILE 572 2HG2 ILE 572 -11.209 -4.583 -1.168 313 HG23 ILE 572 3HG2 ILE 572 -11.711 -3.773 -2.640 314 HD11 ILE 572 3HD1 ILE 572 -8.871 -1.309 -0.227 315 HD12 ILE 572 1HD1 ILE 572 -8.716 -2.155 1.317 316 HD13 ILE 572 2HD1 ILE 572 -8.598 -3.079 -0.211 317 H ARG 573 H ARG 573 -9.950 -1.404 -3.759 318 HA ARG 573 HA ARG 573 -12.099 -2.289 -5.610 319 HB2 ARG 573 2HB ARG 573 -9.567 -0.686 -6.237 320 HB3 ARG 573 3HB ARG 573 -10.568 -1.464 -7.462 321 HG2 ARG 573 2HG ARG 573 -12.531 -0.094 -6.691 322 HG3 ARG 573 3HG ARG 573 -11.437 0.773 -5.591 323 HD2 ARG 573 2HD ARG 573 -10.016 1.393 -7.555 324 HD3 ARG 573 3HD ARG 573 -11.160 0.583 -8.617 325 HE ARG 573 HE ARG 573 -11.817 2.944 -6.869 326 HH11 ARG 573 1HH1 ARG 573 -12.186 1.475 -10.063 327 HH12 ARG 573 2HH1 ARG 573 -13.088 2.895 -10.622 328 HH21 ARG 573 1HH2 ARG 573 -13.193 4.491 -7.658 329 HH22 ARG 573 2HH2 ARG 573 -13.547 4.478 -9.385 330 H GLU 574 H GLU 574 -10.847 -3.631 -7.483 331 HA GLU 574 HA GLU 574 -9.665 -5.974 -6.189 332 HB2 GLU 574 2HB GLU 574 -10.979 -6.055 -8.245 333 HB3 GLU 574 3HB GLU 574 -9.722 -5.176 -9.099 334 HG2 GLU 574 2HG GLU 574 -8.139 -7.033 -8.734 335 HG3 GLU 574 3HG GLU 574 -9.336 -7.873 -7.731 336 H GLY 575 H GLY 575 -7.546 -6.808 -6.348 337 HA2 GLY 575 2HA GLY 575 -5.859 -4.558 -5.368 338 HA3 GLY 575 3HA GLY 575 -5.737 -6.264 -4.942 339 H THR 576 H THR 576 -5.782 -6.924 -7.929 340 HA THR 576 HA THR 576 -2.808 -6.685 -8.110 341 HB THR 576 HB THR 576 -2.727 -9.014 -8.665 342 HG1 THR 576 1HG THR 576 -4.415 -10.218 -8.942 343 HG21 THR 576 1HG2 THR 576 -4.617 -8.648 -6.304 344 HG22 THR 576 2HG2 THR 576 -2.879 -8.288 -6.224 345 HG23 THR 576 3HG2 THR 576 -3.410 -9.950 -6.549 346 H ILE 577 H ILE 577 -5.343 -7.916 -10.209 347 HA ILE 577 HA ILE 577 -3.561 -7.692 -12.311 348 HB ILE 577 HB ILE 577 -6.454 -8.286 -12.580 349 HG12 ILE 577 2HG1 ILE 577 -5.532 -9.988 -11.377 350 HG13 ILE 577 3HG1 ILE 577 -5.722 -10.521 -13.051 351 HG21 ILE 577 1HG2 ILE 577 -5.779 -9.136 -14.890 352 HG22 ILE 577 2HG2 ILE 577 -5.775 -7.377 -14.743 353 HG23 ILE 577 3HG2 ILE 577 -4.251 -8.268 -14.685 354 HD11 ILE 577 3HD1 ILE 577 -3.324 -9.903 -13.409 355 HD12 ILE 577 1HD1 ILE 577 -3.219 -9.806 -11.623 356 HD13 ILE 577 2HD1 ILE 577 -3.712 -11.332 -12.422 357 H GLY 578 H GLY 578 -2.804 -5.886 -13.016 358 HA2 GLY 578 2HA GLY 578 -2.631 -3.961 -14.299 359 HA3 GLY 578 3HA GLY 578 -4.380 -4.060 -14.620 360 H LYS 579 H LYS 579 -3.084 -4.189 -11.348 361 HA LYS 579 HA LYS 579 -4.357 -1.622 -10.708 362 HB2 LYS 579 2HB LYS 579 -5.118 -4.350 -9.678 363 HB3 LYS 579 3HB LYS 579 -5.487 -2.895 -8.735 364 HG2 LYS 579 2HG LYS 579 -6.638 -1.888 -10.632 365 HG3 LYS 579 3HG LYS 579 -6.296 -3.291 -11.644 366 HD2 LYS 579 2HD LYS 579 -7.611 -4.669 -9.929 367 HD3 LYS 579 3HD LYS 579 -8.145 -3.120 -9.261 368 HE2 LYS 579 2HE LYS 579 -8.601 -4.129 -12.103 369 HE3 LYS 579 3HE LYS 579 -9.811 -3.968 -10.824 370 HZ1 LYS 579 3HZ LYS 579 -10.007 -2.060 -12.204 371 HZ2 LYS 579 1HZ LYS 579 -8.391 -1.745 -12.179 372 HZ3 LYS 579 2HZ LYS 579 -9.276 -1.541 -10.823 373 H LYS 580 H LYS 580 -4.240 -1.403 -8.100 374 HA LYS 580 HA LYS 580 -1.312 -1.025 -7.607 375 HB2 LYS 580 2HB LYS 580 -3.656 0.874 -7.103 376 HB3 LYS 580 3HB LYS 580 -1.972 1.183 -6.698 377 HG2 LYS 580 2HG LYS 580 -1.468 0.887 -9.213 378 HG3 LYS 580 3HG LYS 580 -3.212 1.028 -9.468 379 HD2 LYS 580 2HD LYS 580 -1.520 3.033 -7.923 380 HD3 LYS 580 3HD LYS 580 -1.901 3.194 -9.654 381 HE2 LYS 580 2HE LYS 580 -4.349 3.241 -9.101 382 HE3 LYS 580 3HE LYS 580 -3.939 3.117 -7.387 383 HZ1 LYS 580 3HZ LYS 580 -2.573 5.228 -7.821 384 HZ2 LYS 580 1HZ LYS 580 -4.201 5.382 -7.713 385 HZ3 LYS 580 2HZ LYS 580 -3.475 5.419 -9.177 386 H MET 581 H MET 581 -0.852 -0.268 -5.346 387 HA MET 581 HA MET 581 -2.486 -1.803 -3.360 388 HB2 MET 581 2HB MET 581 -0.785 -1.704 -1.801 389 HB3 MET 581 3HB MET 581 0.001 -2.165 -3.303 390 HG2 MET 581 2HG MET 581 0.975 0.005 -3.564 391 HG3 MET 581 3HG MET 581 -0.032 0.722 -2.311 392 HE1 MET 581 3HE MET 581 0.429 0.607 0.312 393 HE2 MET 581 1HE MET 581 0.099 -1.139 0.224 394 HE3 MET 581 2HE MET 581 1.565 -0.548 1.027 395 H TYR 582 H TYR 582 -3.061 -0.783 -1.325 396 HA TYR 582 HA TYR 582 -3.457 2.157 -1.484 397 HB2 TYR 582 2HB TYR 582 -5.656 0.454 -0.337 398 HB3 TYR 582 3HB TYR 582 -5.710 2.067 -0.984 399 HD1 TYR 582 HD2 TYR 582 -5.418 2.349 -3.563 400 HD2 TYR 582 HD1 TYR 582 -6.237 -1.447 -1.682 401 HE1 TYR 582 HE2 TYR 582 -6.035 1.386 -5.760 402 HE2 TYR 582 HE1 TYR 582 -6.880 -2.402 -3.894 403 HH TYR 582 HH TYR 582 -7.031 -2.035 -6.186 404 H PHE 583 H PHE 583 -3.378 3.267 0.556 405 HA PHE 583 HA PHE 583 -3.023 1.712 3.014 406 HB2 PHE 583 2HB PHE 583 -0.791 2.294 3.494 407 HB3 PHE 583 3HB PHE 583 -0.833 1.556 1.940 408 HD1 PHE 583 1HD PHE 583 -0.143 4.661 3.793 409 HD2 PHE 583 2HD PHE 583 -0.171 2.790 -0.090 410 HE1 PHE 583 1HE PHE 583 1.555 6.287 2.991 411 HE2 PHE 583 2HE PHE 583 1.561 4.389 -0.870 412 HZ PHE 583 HZ PHE 583 2.492 6.090 0.698 413 H ILE 584 H ILE 584 -2.705 3.062 4.963 414 HA ILE 584 HA ILE 584 -4.686 5.247 4.727 415 HB ILE 584 HB ILE 584 -3.826 3.771 7.252 416 HG12 ILE 584 2HG1 ILE 584 -5.967 3.031 5.206 417 HG13 ILE 584 3HG1 ILE 584 -4.532 2.096 5.607 418 HG21 ILE 584 1HG2 ILE 584 -5.183 5.940 7.480 419 HG22 ILE 584 2HG2 ILE 584 -6.480 5.191 6.532 420 HG23 ILE 584 3HG2 ILE 584 -6.023 4.521 8.096 421 HD11 ILE 584 3HD1 ILE 584 -7.022 2.428 7.230 422 HD12 ILE 584 1HD1 ILE 584 -6.173 0.958 6.660 423 HD13 ILE 584 2HD1 ILE 584 -5.488 1.935 7.975 424 H GLN 585 H GLN 585 -4.116 7.337 4.838 425 HA GLN 585 HA GLN 585 -1.475 8.094 5.958 426 HB2 GLN 585 2HB GLN 585 -2.102 8.826 3.723 427 HB3 GLN 585 3HB GLN 585 -3.494 9.700 4.339 428 HG2 GLN 585 2HG GLN 585 -0.628 10.327 5.168 429 HG3 GLN 585 3HG GLN 585 -1.401 11.047 3.761 430 HE21 GLN 585 HE21 GLN 585 -3.243 12.607 4.113 431 HE22 GLN 585 HE22 GLN 585 -3.415 13.268 5.732 432 H HIS 586 H HIS 586 -4.885 9.277 6.279 433 HA HIS 586 HA HIS 586 -4.555 9.097 9.212 434 HB2 HIS 586 2HB HIS 586 -4.863 11.655 7.738 435 HB3 HIS 586 3HB HIS 586 -6.023 11.406 9.030 436 HD1 HIS 586 1HD HIS 586 -2.245 11.812 8.559 437 HD2 HIS 586 2HD HIS 586 -5.159 11.428 11.568 438 HE1 HIS 586 1HE HIS 586 -1.130 12.539 10.741 439 H GLY 587 H GLY 587 -6.311 7.980 10.046 440 HA2 GLY 587 2HA GLY 587 -8.889 8.429 9.996 441 HA3 GLY 587 3HA GLY 587 -8.735 7.683 8.399 442 H VAL 588 H VAL 588 -10.299 6.277 9.696 443 HA VAL 588 HA VAL 588 -8.788 3.928 10.559 444 HB VAL 588 HB VAL 588 -11.220 4.977 12.075 445 HG11 VAL 588 1HG1 VAL 588 -10.807 3.132 13.661 446 HG12 VAL 588 2HG1 VAL 588 -11.258 2.528 12.076 447 HG13 VAL 588 3HG1 VAL 588 -9.553 2.484 12.595 448 HG21 VAL 588 3HG2 VAL 588 -9.669 5.140 14.011 449 HG22 VAL 588 1HG2 VAL 588 -8.311 4.723 12.943 450 HG23 VAL 588 2HG2 VAL 588 -9.215 6.232 12.710 451 H VAL 589 H VAL 589 -9.863 1.958 10.052 452 HA VAL 589 HA VAL 589 -12.360 2.063 8.416 453 HB VAL 589 HB VAL 589 -11.470 0.390 6.907 454 HG11 VAL 589 1HG1 VAL 589 -10.185 1.830 5.533 455 HG12 VAL 589 2HG1 VAL 589 -11.216 2.909 6.465 456 HG13 VAL 589 3HG1 VAL 589 -9.526 2.725 6.923 457 HG21 VAL 589 3HG2 VAL 589 -9.093 -0.167 6.813 458 HG22 VAL 589 1HG2 VAL 589 -8.768 0.853 8.223 459 HG23 VAL 589 2HG2 VAL 589 -9.740 -0.628 8.381 460 H SER 590 H SER 590 -13.619 0.206 8.464 461 HA SER 590 HA SER 590 -13.022 -1.824 10.637 462 HB2 SER 590 2HB SER 590 -15.794 -0.961 9.610 463 HB3 SER 590 3HB SER 590 -15.449 -2.447 10.534 464 HG SER 590 HG SER 590 -15.233 0.250 11.458 465 H VAL 591 H VAL 591 -12.757 -3.714 9.978 466 HA VAL 591 HA VAL 591 -12.565 -4.132 7.082 467 HB VAL 591 HB VAL 591 -10.712 -2.772 7.868 468 HG11 VAL 591 1HG1 VAL 591 -9.308 -3.536 9.847 469 HG12 VAL 591 2HG1 VAL 591 -10.927 -2.982 10.199 470 HG13 VAL 591 3HG1 VAL 591 -10.575 -4.766 10.113 471 HG21 VAL 591 3HG2 VAL 591 -9.912 -4.859 6.682 472 HG22 VAL 591 1HG2 VAL 591 -8.794 -4.057 7.835 473 HG23 VAL 591 2HG2 VAL 591 -9.663 -5.533 8.350 474 H LEU 592 H LEU 592 -12.014 -6.235 6.426 475 HA LEU 592 HA LEU 592 -11.879 -8.223 8.655 476 HB2 LEU 592 2HB LEU 592 -12.776 -8.700 5.759 477 HB3 LEU 592 3HB LEU 592 -12.531 -9.948 6.955 478 HG LEU 592 HG LEU 592 -14.821 -9.715 6.662 479 HD11 LEU 592 1HD1 LEU 592 -14.345 -8.191 9.224 480 HD12 LEU 592 2HD1 LEU 592 -13.958 -9.925 9.035 481 HD13 LEU 592 3HD1 LEU 592 -15.625 -9.362 8.852 482 HD21 LEU 592 3HD2 LEU 592 -14.936 -7.419 5.718 483 HD22 LEU 592 1HD2 LEU 592 -14.797 -6.762 7.361 484 HD23 LEU 592 2HD2 LEU 592 -16.182 -7.774 6.920 485 H THR 593 H THR 593 -9.917 -9.307 8.848 486 HA THR 593 HA THR 593 -8.730 -9.874 6.139 487 HB THR 593 HB THR 593 -6.827 -10.973 7.380 488 HG1 THR 593 1HG THR 593 -6.406 -9.691 9.357 489 HG21 THR 593 1HG2 THR 593 -7.263 -7.954 7.424 490 HG22 THR 593 2HG2 THR 593 -6.693 -8.920 6.058 491 HG23 THR 593 3HG2 THR 593 -5.674 -8.770 7.492 492 H LYS 594 H LYS 594 -9.069 -11.727 5.206 493 HA LYS 594 HA LYS 594 -11.545 -12.838 6.223 494 HB2 LYS 594 2HB LYS 594 -11.562 -14.074 3.957 495 HB3 LYS 594 3HB LYS 594 -11.872 -12.367 4.068 496 HG2 LYS 594 2HG LYS 594 -9.024 -13.142 3.517 497 HG3 LYS 594 3HG LYS 594 -10.209 -13.503 2.259 498 HD2 LYS 594 2HD LYS 594 -10.991 -11.154 2.253 499 HD3 LYS 594 3HD LYS 594 -9.831 -10.757 3.518 500 HE2 LYS 594 2HE LYS 594 -9.029 -9.975 1.384 501 HE3 LYS 594 3HE LYS 594 -7.953 -11.222 1.988 502 HZ1 LYS 594 3HZ LYS 594 -8.793 -12.754 0.396 503 HZ2 LYS 594 1HZ LYS 594 -8.627 -11.345 -0.441 504 HZ3 LYS 594 2HZ LYS 594 -10.102 -11.827 0.036 505 H GLY 595 H GLY 595 -8.406 -14.182 6.324 506 HA2 GLY 595 2HA GLY 595 -9.253 -16.917 7.043 507 HA3 GLY 595 3HA GLY 595 -7.663 -16.126 7.271 508 H ASN 596 H ASN 596 -9.325 -13.869 8.561 509 HA ASN 596 HA ASN 596 -8.195 -14.861 11.134 510 HB2 ASN 596 2HB ASN 596 -7.755 -12.369 9.490 511 HB3 ASN 596 3HB ASN 596 -6.958 -12.674 10.959 512 HD21 ASN 596 HD21 ASN 596 -5.271 -12.038 9.144 513 HD22 ASN 596 HD22 ASN 596 -4.454 -13.424 8.477 514 H LYS 597 H LYS 597 -8.719 -11.509 10.976 515 HA LYS 597 HA LYS 597 -11.014 -11.771 12.812 516 HB2 LYS 597 2HB LYS 597 -8.601 -9.942 12.947 517 HB3 LYS 597 3HB LYS 597 -10.091 -9.554 13.781 518 HG2 LYS 597 2HG LYS 597 -8.623 -10.570 15.350 519 HG3 LYS 597 3HG LYS 597 -10.012 -11.607 15.090 520 HD2 LYS 597 2HD LYS 597 -7.931 -12.895 15.345 521 HD3 LYS 597 3HD LYS 597 -8.686 -13.175 13.793 522 HE2 LYS 597 2HE LYS 597 -6.371 -13.004 13.347 523 HE3 LYS 597 3HE LYS 597 -7.069 -11.489 12.774 524 HZ1 LYS 597 3HZ LYS 597 -5.640 -11.893 15.356 525 HZ2 LYS 597 1HZ LYS 597 -6.316 -10.470 14.893 526 HZ3 LYS 597 2HZ LYS 597 -5.064 -11.100 14.041 527 H GLU 598 H GLU 598 -12.814 -10.686 12.650 528 HA GLU 598 HA GLU 598 -12.975 -8.357 10.902 529 HB2 GLU 598 2HB GLU 598 -15.069 -7.782 11.962 530 HB3 GLU 598 3HB GLU 598 -15.075 -9.456 11.390 531 HG2 GLU 598 2HG GLU 598 -14.617 -10.247 13.725 532 HG3 GLU 598 3HG GLU 598 -14.725 -8.570 14.280 533 H MET 599 H MET 599 -12.070 -6.581 11.236 534 HA MET 599 HA MET 599 -10.857 -5.843 13.838 535 HB2 MET 599 2HB MET 599 -9.461 -7.266 12.645 536 HB3 MET 599 3HB MET 599 -9.807 -6.480 11.123 537 HG2 MET 599 2HG MET 599 -8.478 -4.578 11.732 538 HG3 MET 599 3HG MET 599 -8.264 -5.178 13.388 539 HE1 MET 599 3HE MET 599 -6.552 -7.368 9.670 540 HE2 MET 599 1HE MET 599 -8.188 -7.671 10.304 541 HE3 MET 599 2HE MET 599 -7.790 -6.092 9.608 542 H LYS 600 H LYS 600 -9.979 -3.700 13.926 543 HA LYS 600 HA LYS 600 -10.778 -1.864 11.831 544 HB2 LYS 600 2HB LYS 600 -10.310 -1.611 14.831 545 HB3 LYS 600 3HB LYS 600 -9.621 -0.314 13.897 546 HG2 LYS 600 2HG LYS 600 -11.806 0.178 14.887 547 HG3 LYS 600 3HG LYS 600 -11.658 0.481 13.155 548 HD2 LYS 600 2HD LYS 600 -13.830 -0.358 13.681 549 HD3 LYS 600 3HD LYS 600 -12.963 -1.468 12.637 550 HE2 LYS 600 2HE LYS 600 -13.401 -3.152 13.998 551 HE3 LYS 600 3HE LYS 600 -12.425 -2.371 15.244 552 HZ1 LYS 600 3HZ LYS 600 -14.651 -2.777 16.053 553 HZ2 LYS 600 1HZ LYS 600 -15.337 -2.010 14.783 554 HZ3 LYS 600 2HZ LYS 600 -14.466 -1.151 15.902 555 H LEU 601 H LEU 601 -9.330 -0.620 10.826 556 HA LEU 601 HA LEU 601 -6.420 -1.003 11.405 557 HB2 LEU 601 2HB LEU 601 -7.809 -1.597 8.902 558 HB3 LEU 601 3HB LEU 601 -6.690 -0.261 8.685 559 HG LEU 601 HG LEU 601 -4.878 -1.708 9.684 560 HD11 LEU 601 1HD1 LEU 601 -5.306 -4.163 9.656 561 HD12 LEU 601 2HD1 LEU 601 -7.025 -3.836 9.342 562 HD13 LEU 601 3HD1 LEU 601 -6.284 -3.335 10.877 563 HD21 LEU 601 3HD2 LEU 601 -5.230 -1.391 7.213 564 HD22 LEU 601 1HD2 LEU 601 -6.272 -2.825 7.207 565 HD23 LEU 601 2HD2 LEU 601 -4.553 -2.972 7.628 566 H SER 602 H SER 602 -5.158 0.879 11.258 567 HA SER 602 HA SER 602 -6.647 3.469 11.013 568 HB2 SER 602 2HB SER 602 -5.513 4.219 13.044 569 HB3 SER 602 3HB SER 602 -6.486 2.775 13.350 570 HG SER 602 HG SER 602 -4.479 2.545 14.302 571 H ASP 603 H ASP 603 -4.989 5.364 11.288 572 HA ASP 603 HA ASP 603 -3.436 5.692 9.053 573 HB2 ASP 603 2HB ASP 603 -2.408 7.555 10.150 574 HB3 ASP 603 3HB ASP 603 -4.120 7.472 10.554 575 H GLY 604 H GLY 604 -1.493 5.150 8.258 576 HA2 GLY 604 2HA GLY 604 0.658 4.252 8.182 577 HA3 GLY 604 3HA GLY 604 0.593 3.940 9.913 578 H SER 605 H SER 605 -2.046 2.672 8.040 579 HA SER 605 HA SER 605 -0.901 -0.098 8.127 580 HB2 SER 605 2HB SER 605 -3.807 0.693 8.125 581 HB3 SER 605 3HB SER 605 -3.131 -0.941 8.333 582 HG SER 605 HG SER 605 -3.005 1.287 10.055 583 H TYR 606 H TYR 606 -1.832 -1.648 6.529 584 HA TYR 606 HA TYR 606 -1.964 -0.397 3.816 585 HB2 TYR 606 2HB TYR 606 -0.260 -2.794 4.526 586 HB3 TYR 606 3HB TYR 606 -0.218 -1.822 3.062 587 HD1 TYR 606 HD1 TYR 606 0.875 0.431 3.084 588 HD2 TYR 606 HD2 TYR 606 0.811 -2.093 6.577 589 HE1 TYR 606 HE1 TYR 606 2.518 1.930 4.205 590 HE2 TYR 606 HE2 TYR 606 2.413 -0.577 7.703 591 HH TYR 606 HH TYR 606 3.538 1.420 7.595 592 H PHE 607 H PHE 607 -3.181 -1.307 2.298 593 HA PHE 607 HA PHE 607 -4.867 -3.637 2.979 594 HB2 PHE 607 2HB PHE 607 -5.006 -1.535 0.789 595 HB3 PHE 607 3HB PHE 607 -6.209 -2.781 1.066 596 HD1 PHE 607 2HD PHE 607 -7.192 -2.971 3.473 597 HD2 PHE 607 1HD PHE 607 -5.385 0.588 1.852 598 HE1 PHE 607 2HE PHE 607 -8.515 -1.587 4.999 599 HE2 PHE 607 1HE PHE 607 -6.740 1.979 3.381 600 HZ PHE 607 HZ PHE 607 -8.270 0.899 4.992 601 H GLY 608 H GLY 608 -5.553 -5.141 1.446 602 HA2 GLY 608 2HA GLY 608 -5.893 -5.892 -0.679 603 HA3 GLY 608 3HA GLY 608 -4.431 -5.097 -1.237 604 H GLU 609 H GLU 609 -3.183 -6.837 1.230 605 HA GLU 609 HA GLU 609 -1.709 -8.568 1.209 606 HB2 GLU 609 2HB GLU 609 -4.004 -9.567 1.614 607 HB3 GLU 609 3HB GLU 609 -3.920 -10.217 -0.025 608 HG2 GLU 609 2HG GLU 609 -1.906 -11.504 0.575 609 HG3 GLU 609 3HG GLU 609 -1.828 -10.701 2.150 610 H ILE 610 H ILE 610 -0.961 -6.974 -0.747 611 HA ILE 610 HA ILE 610 -0.741 -8.406 -3.324 612 HB ILE 610 HB ILE 610 -0.176 -5.554 -2.491 613 HG12 ILE 610 2HG1 ILE 610 -2.242 -6.500 -4.463 614 HG13 ILE 610 3HG1 ILE 610 -2.602 -6.456 -2.749 615 HG21 ILE 610 1HG2 ILE 610 0.104 -5.076 -4.942 616 HG22 ILE 610 2HG2 ILE 610 1.396 -6.070 -4.293 617 HG23 ILE 610 3HG2 ILE 610 0.100 -6.820 -5.254 618 HD11 ILE 610 3HD1 ILE 610 -1.825 -4.047 -4.416 619 HD12 ILE 610 1HD1 ILE 610 -3.420 -4.430 -3.752 620 HD13 ILE 610 2HD1 ILE 610 -2.084 -4.048 -2.652 621 H CYS 611 H CYS 611 1.000 -9.467 -3.944 622 HA CYS 611 HA CYS 611 3.717 -8.746 -2.955 623 HB2 CYS 611 2HB CYS 611 3.054 -11.148 -3.042 624 HB3 CYS 611 3HB CYS 611 2.834 -11.016 -4.787 625 HG CYS 611 HG CYS 611 5.085 -12.247 -4.243 626 H LEU 612 H LEU 612 5.245 -7.722 -4.318 627 HA LEU 612 HA LEU 612 4.272 -6.062 -6.422 628 HB2 LEU 612 2HB LEU 612 7.042 -6.886 -5.521 629 HB3 LEU 612 3HB LEU 612 6.822 -5.837 -6.907 630 HG LEU 612 HG LEU 612 5.738 -5.154 -4.150 631 HD11 LEU 612 1HD1 LEU 612 8.222 -5.317 -4.211 632 HD12 LEU 612 2HD1 LEU 612 7.643 -3.670 -3.954 633 HD13 LEU 612 3HD1 LEU 612 8.242 -4.161 -5.559 634 HD21 LEU 612 3HD2 LEU 612 4.533 -3.877 -5.799 635 HD22 LEU 612 1HD2 LEU 612 6.003 -3.583 -6.765 636 HD23 LEU 612 2HD2 LEU 612 5.788 -2.793 -5.203 637 H LEU 613 H LEU 613 5.323 -9.353 -6.600 638 HA LEU 613 HA LEU 613 5.149 -9.290 -9.570 639 HB2 LEU 613 2HB LEU 613 6.465 -11.278 -9.636 640 HB3 LEU 613 3HB LEU 613 7.290 -9.936 -8.884 641 HG LEU 613 HG LEU 613 6.997 -10.965 -6.650 642 HD11 LEU 613 1HD1 LEU 613 6.419 -13.410 -6.573 643 HD12 LEU 613 2HD1 LEU 613 5.848 -13.291 -8.258 644 HD13 LEU 613 3HD1 LEU 613 5.041 -12.391 -6.960 645 HD21 LEU 613 3HD2 LEU 613 8.663 -12.788 -7.089 646 HD22 LEU 613 1HD2 LEU 613 9.042 -11.292 -7.950 647 HD23 LEU 613 2HD2 LEU 613 8.311 -12.645 -8.828 648 H THR 614 H THR 614 3.059 -9.693 -7.304 649 HA THR 614 HA THR 614 1.887 -12.215 -7.424 650 HB THR 614 HB THR 614 1.188 -10.349 -5.973 651 HG1 THR 614 1HG THR 614 -0.555 -11.266 -5.582 652 HG21 THR 614 1HG2 THR 614 -0.539 -8.793 -6.631 653 HG22 THR 614 2HG2 THR 614 -0.618 -9.491 -8.264 654 HG23 THR 614 3HG2 THR 614 0.814 -8.587 -7.754 655 H ARG 615 H ARG 615 0.196 -13.182 -8.493 656 HA ARG 615 HA ARG 615 -0.418 -12.230 -11.259 657 HB2 ARG 615 2HB ARG 615 0.225 -14.218 -12.315 658 HB3 ARG 615 3HB ARG 615 1.568 -13.790 -11.252 659 HG2 ARG 615 2HG ARG 615 0.612 -15.423 -9.558 660 HG3 ARG 615 3HG ARG 615 -0.513 -15.974 -10.807 661 HD2 ARG 615 2HD ARG 615 2.525 -16.093 -10.874 662 HD3 ARG 615 3HD ARG 615 1.408 -17.451 -10.650 663 HE ARG 615 HE ARG 615 0.673 -16.343 -13.094 664 HH11 ARG 615 1HH1 ARG 615 3.535 -17.966 -11.852 665 HH12 ARG 615 2HH1 ARG 615 4.085 -18.375 -13.463 666 HH21 ARG 615 1HH2 ARG 615 1.470 -16.836 -15.082 667 HH22 ARG 615 2HH2 ARG 615 3.050 -17.581 -15.232 668 H GLY 616 H GLY 616 -2.315 -12.938 -12.175 669 HA2 GLY 616 2HA GLY 616 -4.565 -13.468 -12.132 670 HA3 GLY 616 3HA GLY 616 -4.271 -14.598 -10.804 671 H ARG 617 H ARG 617 -6.486 -13.260 -10.849 672 HA ARG 617 HA ARG 617 -6.691 -10.706 -9.575 673 HB2 ARG 617 2HB ARG 617 -8.706 -12.967 -9.476 674 HB3 ARG 617 3HB ARG 617 -9.052 -11.259 -9.249 675 HG2 ARG 617 2HG ARG 617 -8.019 -12.475 -11.860 676 HG3 ARG 617 3HG ARG 617 -9.716 -12.231 -11.484 677 HD2 ARG 617 2HD ARG 617 -9.566 -9.908 -11.513 678 HD3 ARG 617 3HD ARG 617 -7.814 -9.874 -11.360 679 HE ARG 617 HE ARG 617 -8.359 -11.257 -13.774 680 HH11 ARG 617 1HH1 ARG 617 -9.140 -8.045 -12.571 681 HH12 ARG 617 2HH1 ARG 617 -9.207 -7.373 -14.182 682 HH21 ARG 617 1HH2 ARG 617 -8.027 -10.208 -15.737 683 HH22 ARG 617 2HH2 ARG 617 -8.458 -8.534 -15.896 684 H ARG 618 H ARG 618 -6.205 -10.070 -7.566 685 HA ARG 618 HA ARG 618 -7.334 -11.776 -5.359 686 HB2 ARG 618 2HB ARG 618 -4.695 -11.671 -5.450 687 HB3 ARG 618 3HB ARG 618 -4.933 -10.110 -4.646 688 HG2 ARG 618 2HG ARG 618 -6.158 -11.204 -2.818 689 HG3 ARG 618 3HG ARG 618 -6.054 -12.753 -3.669 690 HD2 ARG 618 2HD ARG 618 -3.505 -12.536 -3.509 691 HD3 ARG 618 3HD ARG 618 -3.765 -11.123 -2.480 692 HE ARG 618 HE ARG 618 -4.238 -12.532 -0.702 693 HH11 ARG 618 1HH1 ARG 618 -4.656 -14.596 -3.581 694 HH12 ARG 618 2HH1 ARG 618 -5.111 -15.933 -2.519 695 HH21 ARG 618 1HH2 ARG 618 -4.631 -14.285 0.382 696 HH22 ARG 618 2HH2 ARG 618 -5.070 -15.808 -0.449 697 H THR 619 H THR 619 -8.074 -10.697 -3.472 698 HA THR 619 HA THR 619 -9.126 -7.951 -3.942 699 HB THR 619 HB THR 619 -11.403 -8.864 -3.440 700 HG1 THR 619 1HG THR 619 -11.745 -10.918 -3.246 701 HG21 THR 619 1HG2 THR 619 -10.766 -8.488 -5.803 702 HG22 THR 619 2HG2 THR 619 -11.896 -9.841 -5.599 703 HG23 THR 619 3HG2 THR 619 -10.184 -10.169 -5.903 704 H ALA 620 H ALA 620 -10.466 -7.161 -2.111 705 HA ALA 620 HA ALA 620 -9.858 -8.341 0.554 706 HB1 ALA 620 1HB ALA 620 -8.102 -6.723 0.173 707 HB2 ALA 620 2HB ALA 620 -9.276 -5.477 -0.288 708 HB3 ALA 620 3HB ALA 620 -9.220 -6.074 1.382 709 H SER 621 H SER 621 -11.086 -7.333 2.323 710 HA SER 621 HA SER 621 -13.889 -6.531 1.566 711 HB2 SER 621 2HB SER 621 -12.883 -8.741 3.380 712 HB3 SER 621 3HB SER 621 -14.518 -8.087 3.509 713 HG SER 621 HG SER 621 -14.823 -8.579 1.296 714 H VAL 622 H VAL 622 -13.469 -4.301 2.153 715 HA VAL 622 HA VAL 622 -13.730 -3.799 4.998 716 HB VAL 622 HB VAL 622 -11.511 -4.079 5.289 717 HG11 VAL 622 1HG1 VAL 622 -9.637 -3.473 4.053 718 HG12 VAL 622 2HG1 VAL 622 -10.720 -4.260 2.924 719 HG13 VAL 622 3HG1 VAL 622 -10.588 -2.473 2.950 720 HG21 VAL 622 3HG2 VAL 622 -12.202 -1.850 6.104 721 HG22 VAL 622 1HG2 VAL 622 -10.486 -1.981 5.757 722 HG23 VAL 622 2HG2 VAL 622 -11.546 -1.137 4.593 723 H ARG 623 H ARG 623 -14.466 -1.797 5.646 724 HA ARG 623 HA ARG 623 -14.795 0.293 3.550 725 HB2 ARG 623 2HB ARG 623 -16.989 0.838 4.110 726 HB3 ARG 623 3HB ARG 623 -16.970 -0.882 3.797 727 HG2 ARG 623 2HG ARG 623 -16.849 0.226 6.642 728 HG3 ARG 623 3HG ARG 623 -18.371 0.065 5.769 729 HD2 ARG 623 2HD ARG 623 -18.121 -2.310 5.539 730 HD3 ARG 623 3HD ARG 623 -16.469 -2.256 6.181 731 HE ARG 623 HE ARG 623 -18.562 -1.243 7.999 732 HH11 ARG 623 1HH1 ARG 623 -17.011 -4.239 6.956 733 HH12 ARG 623 2HH1 ARG 623 -17.008 -4.866 8.610 734 HH21 ARG 623 1HH2 ARG 623 -18.547 -2.228 10.063 735 HH22 ARG 623 2HH2 ARG 623 -18.030 -3.900 10.145 736 H ALA 624 H ALA 624 -15.185 2.468 4.289 737 HA ALA 624 HA ALA 624 -13.243 3.286 6.215 738 HB1 ALA 624 1HB ALA 624 -13.848 4.622 4.246 739 HB2 ALA 624 2HB ALA 624 -15.499 4.808 4.861 740 HB3 ALA 624 3HB ALA 624 -14.135 5.543 5.728 741 H ASP 625 H ASP 625 -13.355 3.649 8.388 742 HA ASP 625 HA ASP 625 -15.916 3.311 9.817 743 HB2 ASP 625 2HB ASP 625 -13.331 2.766 10.583 744 HB3 ASP 625 3HB ASP 625 -13.488 4.366 11.224 745 H THR 626 H THR 626 -13.800 5.816 8.616 746 HA THR 626 HA THR 626 -15.508 8.005 9.694 747 HB THR 626 HB THR 626 -14.091 7.576 11.528 748 HG1 THR 626 1HG THR 626 -13.104 9.478 11.748 749 HG21 THR 626 1HG2 THR 626 -12.331 6.250 10.559 750 HG22 THR 626 2HG2 THR 626 -11.615 7.645 11.386 751 HG23 THR 626 3HG2 THR 626 -11.742 7.648 9.607 752 H TYR 627 H TYR 627 -14.232 10.196 8.989 753 HA TYR 627 HA TYR 627 -13.888 10.207 6.085 754 HB2 TYR 627 2HB TYR 627 -14.766 12.175 6.948 755 HB3 TYR 627 3HB TYR 627 -13.686 12.176 8.313 756 HD1 TYR 627 HD2 TYR 627 -13.173 12.272 4.534 757 HD2 TYR 627 HD1 TYR 627 -12.333 14.027 8.386 758 HE1 TYR 627 HE2 TYR 627 -11.839 14.119 3.450 759 HE2 TYR 627 HE1 TYR 627 -11.050 15.848 7.282 760 HH TYR 627 HH TYR 627 -10.728 16.041 3.708 761 H CYS 628 H CYS 628 -12.310 9.007 5.345 762 HA CYS 628 HA CYS 628 -9.700 8.934 6.761 763 HB2 CYS 628 2HB CYS 628 -9.568 6.613 6.341 764 HB3 CYS 628 3HB CYS 628 -11.156 6.824 6.769 765 HG CYS 628 HG CYS 628 -10.466 7.176 3.619 766 H ARG 629 H ARG 629 -8.124 9.886 5.875 767 HA ARG 629 HA ARG 629 -7.815 10.463 2.970 768 HB2 ARG 629 2HB ARG 629 -6.784 11.517 5.556 769 HB3 ARG 629 3HB ARG 629 -5.439 10.970 4.578 770 HG2 ARG 629 2HG ARG 629 -5.699 13.222 4.072 771 HG3 ARG 629 3HG ARG 629 -6.252 12.293 2.678 772 HD2 ARG 629 2HD ARG 629 -7.922 13.911 2.887 773 HD3 ARG 629 3HD ARG 629 -8.643 12.552 3.722 774 HE ARG 629 HE ARG 629 -8.370 13.572 5.816 775 HH11 ARG 629 1HH1 ARG 629 -6.846 15.741 3.417 776 HH12 ARG 629 2HH1 ARG 629 -7.146 17.106 4.464 777 HH21 ARG 629 1HH2 ARG 629 -8.310 15.418 7.125 778 HH22 ARG 629 2HH2 ARG 629 -7.820 16.931 6.405 779 H LEU 630 H LEU 630 -7.156 8.946 1.782 780 HA LEU 630 HA LEU 630 -5.241 6.854 2.775 781 HB2 LEU 630 2HB LEU 630 -7.314 6.504 0.595 782 HB3 LEU 630 3HB LEU 630 -6.250 5.278 1.278 783 HG LEU 630 HG LEU 630 -8.652 6.606 2.591 784 HD11 LEU 630 1HD1 LEU 630 -9.423 4.285 2.764 785 HD12 LEU 630 2HD1 LEU 630 -7.922 3.711 1.957 786 HD13 LEU 630 3HD1 LEU 630 -9.084 4.716 1.074 787 HD21 LEU 630 3HD2 LEU 630 -8.279 5.169 4.566 788 HD22 LEU 630 1HD2 LEU 630 -6.980 6.331 4.396 789 HD23 LEU 630 2HD2 LEU 630 -6.712 4.653 3.882 790 H TYR 631 H TYR 631 -3.966 5.836 1.046 791 HA TYR 631 HA TYR 631 -3.121 7.679 -1.137 792 HB2 TYR 631 2HB TYR 631 -1.700 6.963 1.304 793 HB3 TYR 631 3HB TYR 631 -0.812 6.433 -0.113 794 HD1 TYR 631 HD1 TYR 631 -2.334 9.385 1.558 795 HD2 TYR 631 HD2 TYR 631 0.239 7.988 -1.584 796 HE1 TYR 631 HE1 TYR 631 -1.476 11.713 1.244 797 HE2 TYR 631 HE2 TYR 631 1.106 10.322 -1.910 798 HH TYR 631 HH TYR 631 1.024 12.486 -1.205 799 H SER 632 H SER 632 -2.094 6.664 -2.930 800 HA SER 632 HA SER 632 -2.069 3.702 -2.892 801 HB2 SER 632 2HB SER 632 -4.260 4.423 -3.845 802 HB3 SER 632 3HB SER 632 -3.386 5.311 -5.106 803 HG SER 632 HG SER 632 -3.087 2.515 -4.588 804 H LEU 633 H LEU 633 -0.692 2.671 -4.251 805 HA LEU 633 HA LEU 633 1.316 4.244 -5.776 806 HB2 LEU 633 2HB LEU 633 1.817 3.771 -3.224 807 HB3 LEU 633 3HB LEU 633 2.141 2.137 -3.761 808 HG LEU 633 HG LEU 633 3.644 4.680 -4.610 809 HD11 LEU 633 1HD1 LEU 633 3.952 3.896 -2.265 810 HD12 LEU 633 2HD1 LEU 633 5.412 3.799 -3.244 811 HD13 LEU 633 3HD1 LEU 633 4.492 2.320 -2.891 812 HD21 LEU 633 3HD2 LEU 633 3.807 3.153 -6.472 813 HD22 LEU 633 1HD2 LEU 633 4.078 1.762 -5.392 814 HD23 LEU 633 2HD2 LEU 633 5.301 3.035 -5.563 815 H SER 634 H SER 634 1.894 3.195 -7.625 816 HA SER 634 HA SER 634 0.595 0.643 -8.303 817 HB2 SER 634 2HB SER 634 0.418 1.809 -10.186 818 HB3 SER 634 3HB SER 634 1.684 2.939 -9.739 819 HG SER 634 HG SER 634 2.038 1.616 -11.631 820 H VAL 635 H VAL 635 1.542 -1.305 -8.752 821 HA VAL 635 HA VAL 635 4.154 -1.803 -7.503 822 HB VAL 635 HB VAL 635 3.938 -4.043 -7.880 823 HG11 VAL 635 1HG1 VAL 635 1.026 -3.258 -7.640 824 HG12 VAL 635 2HG1 VAL 635 1.847 -4.727 -7.046 825 HG13 VAL 635 3HG1 VAL 635 2.234 -3.152 -6.324 826 HG21 VAL 635 3HG2 VAL 635 3.620 -4.337 -10.150 827 HG22 VAL 635 1HG2 VAL 635 2.341 -5.201 -9.312 828 HG23 VAL 635 2HG2 VAL 635 1.959 -3.648 -10.099 829 H ASP 636 H ASP 636 2.894 -1.233 -10.763 830 HA ASP 636 HA ASP 636 5.286 -2.168 -12.113 831 HB2 ASP 636 2HB ASP 636 3.037 -0.313 -12.916 832 HB3 ASP 636 3HB ASP 636 4.367 -0.735 -14.002 833 H ASN 637 H ASN 637 4.249 1.019 -10.874 834 HA ASN 637 HA ASN 637 6.591 2.509 -11.660 835 HB2 ASN 637 2HB ASN 637 4.633 2.848 -9.321 836 HB3 ASN 637 3HB ASN 637 5.832 4.039 -9.799 837 HD21 ASN 637 HD21 ASN 637 5.026 3.170 -12.816 838 HD22 ASN 637 HD22 ASN 637 3.643 4.230 -12.989 839 H PHE 638 H PHE 638 5.795 0.650 -8.714 840 HA PHE 638 HA PHE 638 8.127 1.059 -7.119 841 HB2 PHE 638 2HB PHE 638 5.851 0.014 -6.618 842 HB3 PHE 638 3HB PHE 638 6.588 -1.476 -7.171 843 HD1 PHE 638 2HD PHE 638 9.259 -1.521 -6.091 844 HD2 PHE 638 1HD PHE 638 5.676 0.085 -4.331 845 HE1 PHE 638 2HE PHE 638 10.209 -1.879 -3.826 846 HE2 PHE 638 1HE PHE 638 6.605 -0.310 -2.071 847 HZ PHE 638 HZ PHE 638 8.883 -1.275 -1.806 848 H ASN 639 H ASN 639 7.348 -1.571 -9.437 849 HA ASN 639 HA ASN 639 9.897 -2.862 -9.431 850 HB2 ASN 639 2HB ASN 639 7.473 -2.836 -11.266 851 HB3 ASN 639 3HB ASN 639 8.912 -3.737 -11.689 852 HD21 ASN 639 HD21 ASN 639 6.066 -3.865 -9.587 853 HD22 ASN 639 HD22 ASN 639 6.437 -5.531 -9.190 854 H GLU 640 H GLU 640 8.748 -0.035 -11.341 855 HA GLU 640 HA GLU 640 10.960 0.091 -13.142 856 HB2 GLU 640 2HB GLU 640 8.644 0.759 -13.441 857 HB3 GLU 640 3HB GLU 640 8.833 1.996 -12.207 858 HG2 GLU 640 2HG GLU 640 8.764 2.801 -14.255 859 HG3 GLU 640 3HG GLU 640 10.383 3.199 -13.647 860 H VAL 641 H VAL 641 10.426 1.411 -9.873 861 HA VAL 641 HA VAL 641 12.881 3.080 -10.043 862 HB VAL 641 HB VAL 641 10.980 4.034 -8.998 863 HG11 VAL 641 1HG1 VAL 641 9.820 2.182 -7.967 864 HG12 VAL 641 2HG1 VAL 641 11.168 1.916 -6.844 865 HG13 VAL 641 3HG1 VAL 641 10.209 3.414 -6.781 866 HG21 VAL 641 3HG2 VAL 641 13.296 4.656 -8.248 867 HG22 VAL 641 1HG2 VAL 641 12.030 4.923 -7.013 868 HG23 VAL 641 2HG2 VAL 641 13.093 3.527 -6.881 869 H LEU 642 H LEU 642 11.878 -0.028 -8.782 870 HA LEU 642 HA LEU 642 14.117 -0.569 -7.135 871 HB2 LEU 642 2HB LEU 642 12.238 -2.303 -8.773 872 HB3 LEU 642 3HB LEU 642 13.602 -3.045 -7.958 873 HG LEU 642 HG LEU 642 11.523 -1.373 -6.494 874 HD11 LEU 642 1HD1 LEU 642 10.478 -3.426 -7.386 875 HD12 LEU 642 2HD1 LEU 642 10.719 -3.590 -5.644 876 HD13 LEU 642 3HD1 LEU 642 11.818 -4.409 -6.769 877 HD21 LEU 642 3HD2 LEU 642 13.642 -3.290 -5.517 878 HD22 LEU 642 1HD2 LEU 642 12.486 -2.421 -4.497 879 HD23 LEU 642 2HD2 LEU 642 13.743 -1.536 -5.374 880 H GLU 643 H GLU 643 13.941 -1.173 -10.674 881 HA GLU 643 HA GLU 643 16.628 -2.037 -10.944 882 HB2 GLU 643 2HB GLU 643 14.650 -0.757 -12.821 883 HB3 GLU 643 3HB GLU 643 16.247 -1.263 -13.384 884 HG2 GLU 643 2HG GLU 643 14.697 -3.275 -11.803 885 HG3 GLU 643 3HG GLU 643 14.000 -2.819 -13.324 886 H GLU 644 H GLU 644 15.825 1.182 -9.938 887 HA GLU 644 HA GLU 644 18.323 2.335 -11.035 888 HB2 GLU 644 2HB GLU 644 16.339 3.264 -8.947 889 HB3 GLU 644 3HB GLU 644 17.732 4.167 -9.446 890 HG2 GLU 644 2HG GLU 644 16.229 3.536 -11.811 891 HG3 GLU 644 3HG GLU 644 15.141 4.068 -10.544 892 H TYR 645 H TYR 645 17.264 0.444 -8.330 893 HA TYR 645 HA TYR 645 19.907 0.638 -6.947 894 HB2 TYR 645 2HB TYR 645 17.184 0.613 -5.595 895 HB3 TYR 645 3HB TYR 645 18.758 0.683 -4.808 896 HD1 TYR 645 HD1 TYR 645 16.282 2.522 -6.824 897 HD2 TYR 645 HD2 TYR 645 20.037 2.800 -4.740 898 HE1 TYR 645 HE1 TYR 645 16.288 4.964 -7.208 899 HE2 TYR 645 HE2 TYR 645 20.010 5.272 -5.040 900 HH TYR 645 HH TYR 645 17.481 6.932 -6.962 901 HA PRO 646 HA PRO 646 18.230 -3.453 -8.452 902 HB2 PRO 646 2HB PRO 646 20.647 -4.646 -9.192 903 HB3 PRO 646 3HB PRO 646 19.620 -3.614 -10.227 904 HG2 PRO 646 2HG PRO 646 22.000 -2.772 -8.535 905 HG3 PRO 646 3HG PRO 646 21.674 -2.394 -10.260 906 HD2 PRO 646 2HD PRO 646 21.039 -0.578 -8.406 907 HD3 PRO 646 3HD PRO 646 19.843 -0.957 -9.675 908 H MET 647 H MET 647 20.619 -2.990 -5.829 909 HA MET 647 HA MET 647 20.507 -5.760 -4.944 910 HB2 MET 647 2HB MET 647 21.631 -5.081 -3.019 911 HB3 MET 647 3HB MET 647 22.238 -3.965 -4.256 912 HG2 MET 647 2HG MET 647 20.395 -2.386 -3.547 913 HG3 MET 647 3HG MET 647 20.044 -3.486 -2.215 914 HE1 MET 647 3HE MET 647 19.859 -1.946 -0.584 915 HE2 MET 647 1HE MET 647 20.943 -0.547 -0.305 916 HE3 MET 647 2HE MET 647 20.056 -0.725 -1.850 917 H MET 648 H MET 648 18.443 -2.902 -4.522 918 HA MET 648 HA MET 648 16.734 -4.053 -2.463 919 HB2 MET 648 2HB MET 648 16.344 -1.677 -4.328 920 HB3 MET 648 3HB MET 648 15.204 -2.160 -3.086 921 HG2 MET 648 2HG MET 648 18.051 -1.233 -2.659 922 HG3 MET 648 3HG MET 648 16.588 -0.309 -2.354 923 HE1 MET 648 3HE MET 648 15.067 -2.286 0.766 924 HE2 MET 648 1HE MET 648 14.711 -1.124 -0.532 925 HE3 MET 648 2HE MET 648 14.802 -2.870 -0.885 926 H ARG 649 H ARG 649 16.745 -3.963 -6.033 927 HA ARG 649 HA ARG 649 14.183 -5.253 -6.376 928 HB2 ARG 649 2HB ARG 649 15.643 -4.119 -8.144 929 HB3 ARG 649 3HB ARG 649 16.605 -5.582 -8.198 930 HG2 ARG 649 2HG ARG 649 13.585 -5.613 -8.632 931 HG3 ARG 649 3HG ARG 649 14.718 -5.246 -9.938 932 HD2 ARG 649 2HD ARG 649 15.852 -7.406 -9.605 933 HD3 ARG 649 3HD ARG 649 14.708 -7.822 -8.325 934 HE ARG 649 HE ARG 649 12.995 -7.342 -10.353 935 HH11 ARG 649 1HH1 ARG 649 15.836 -9.418 -10.156 936 HH12 ARG 649 2HH1 ARG 649 15.195 -10.531 -11.335 937 HH21 ARG 649 1HH2 ARG 649 12.307 -8.810 -11.947 938 HH22 ARG 649 2HH2 ARG 649 13.229 -10.272 -12.165 939 H ARG 650 H ARG 650 17.472 -6.672 -5.984 940 HA ARG 650 HA ARG 650 16.579 -9.378 -5.865 941 HB2 ARG 650 2HB ARG 650 18.915 -8.593 -6.201 942 HB3 ARG 650 3HB ARG 650 19.028 -8.163 -4.488 943 HG2 ARG 650 2HG ARG 650 18.078 -10.894 -5.263 944 HG3 ARG 650 3HG ARG 650 19.801 -10.538 -5.451 945 HD2 ARG 650 2HD ARG 650 20.068 -10.170 -3.097 946 HD3 ARG 650 3HD ARG 650 18.327 -10.219 -2.810 947 HE ARG 650 HE ARG 650 19.124 -12.651 -4.087 948 HH11 ARG 650 1HH1 ARG 650 19.146 -11.132 -0.903 949 HH12 ARG 650 2HH1 ARG 650 19.108 -12.659 -0.086 950 HH21 ARG 650 1HH2 ARG 650 19.165 -14.564 -2.964 951 HH22 ARG 650 2HH2 ARG 650 19.302 -14.552 -1.218 952 H ALA 651 H ALA 651 16.959 -7.025 -3.339 953 HA ALA 651 HA ALA 651 16.345 -8.513 -1.042 954 HB1 ALA 651 1HB ALA 651 15.900 -6.416 0.047 955 HB2 ALA 651 2HB ALA 651 17.158 -6.078 -1.154 956 HB3 ALA 651 3HB ALA 651 15.456 -5.639 -1.469 957 H PHE 652 H PHE 652 14.070 -7.413 -3.502 958 HA PHE 652 HA PHE 652 11.758 -8.479 -1.970 959 HB2 PHE 652 2HB PHE 652 12.152 -6.896 -4.504 960 HB3 PHE 652 3HB PHE 652 10.637 -7.775 -4.251 961 HD1 PHE 652 1HD PHE 652 9.308 -7.319 -2.092 962 HD2 PHE 652 2HD PHE 652 12.477 -4.769 -3.497 963 HE1 PHE 652 1HE PHE 652 8.455 -5.472 -0.674 964 HE2 PHE 652 2HE PHE 652 11.663 -2.940 -2.031 965 HZ PHE 652 HZ PHE 652 9.647 -3.277 -0.633 966 H GLU 653 H GLU 653 13.627 -9.280 -4.957 967 HA GLU 653 HA GLU 653 12.207 -11.598 -5.735 968 HB2 GLU 653 2HB GLU 653 15.194 -11.013 -5.842 969 HB3 GLU 653 3HB GLU 653 14.438 -12.348 -6.678 970 HG2 GLU 653 2HG GLU 653 13.748 -9.427 -7.144 971 HG3 GLU 653 3HG GLU 653 14.883 -10.356 -8.111 972 H THR 654 H THR 654 14.290 -11.237 -2.971 973 HA THR 654 HA THR 654 14.714 -14.118 -2.602 974 HB THR 654 HB THR 654 16.458 -12.430 -2.144 975 HG1 THR 654 1HG THR 654 16.819 -13.350 0.073 976 HG21 THR 654 1HG2 THR 654 16.402 -11.112 -0.115 977 HG22 THR 654 2HG2 THR 654 14.806 -11.754 0.324 978 HG23 THR 654 3HG2 THR 654 14.968 -10.723 -1.087 979 H VAL 655 H VAL 655 12.577 -11.681 -1.301 980 HA VAL 655 HA VAL 655 11.527 -13.497 0.784 981 HB VAL 655 HB VAL 655 11.899 -11.186 1.323 982 HG11 VAL 655 1HG1 VAL 655 9.924 -10.415 -0.784 983 HG12 VAL 655 2HG1 VAL 655 10.574 -9.360 0.493 984 HG13 VAL 655 3HG1 VAL 655 11.689 -10.096 -0.665 985 HG21 VAL 655 3HG2 VAL 655 8.897 -11.836 1.348 986 HG22 VAL 655 1HG2 VAL 655 10.085 -12.442 2.500 987 HG23 VAL 655 2HG2 VAL 655 9.748 -10.709 2.415 988 H ALA 656 H ALA 656 10.559 -12.134 -2.341 989 HA ALA 656 HA ALA 656 7.891 -12.980 -2.397 990 HB1 ALA 656 1HB ALA 656 8.940 -11.454 -4.017 991 HB2 ALA 656 2HB ALA 656 9.849 -12.814 -4.721 992 HB3 ALA 656 3HB ALA 656 8.071 -12.770 -4.819 993 H ILE 657 H ILE 657 10.685 -15.085 -2.728 994 HA ILE 657 HA ILE 657 8.982 -17.385 -3.519 995 HB ILE 657 HB ILE 657 11.074 -16.974 -4.705 996 HG12 ILE 657 2HG1 ILE 657 11.226 -19.598 -3.182 997 HG13 ILE 657 3HG1 ILE 657 9.985 -19.255 -4.391 998 HG21 ILE 657 1HG2 ILE 657 13.260 -17.426 -3.666 999 HG22 ILE 657 2HG2 ILE 657 12.470 -16.080 -2.859 1000 HG23 ILE 657 3HG2 ILE 657 12.493 -17.685 -2.092 1001 HD11 ILE 657 3HD1 ILE 657 11.771 -20.512 -5.416 1002 HD12 ILE 657 1HD1 ILE 657 11.749 -18.871 -6.093 1003 HD13 ILE 657 2HD1 ILE 657 12.986 -19.332 -4.893 1004 H ASP 658 H ASP 658 10.329 -15.993 -0.633 1005 HA ASP 658 HA ASP 658 10.143 -18.532 0.879 1006 HB2 ASP 658 2HB ASP 658 12.151 -17.157 1.139 1007 HB3 ASP 658 3HB ASP 658 11.156 -15.791 1.675 1008 H ARG 659 H ARG 659 8.555 -15.357 0.742 1009 HA ARG 659 HA ARG 659 6.588 -15.852 2.772 1010 HB2 ARG 659 2HB ARG 659 6.086 -13.659 2.293 1011 HB3 ARG 659 3HB ARG 659 7.646 -13.700 1.619 1012 HG2 ARG 659 2HG ARG 659 6.632 -14.205 -0.659 1013 HG3 ARG 659 3HG ARG 659 5.041 -13.975 0.081 1014 HD2 ARG 659 2HD ARG 659 7.223 -11.865 -0.017 1015 HD3 ARG 659 3HD ARG 659 5.874 -11.970 -1.137 1016 HE ARG 659 HE ARG 659 5.778 -11.150 1.718 1017 HH11 ARG 659 1HH1 ARG 659 3.765 -12.166 -0.998 1018 HH12 ARG 659 2HH1 ARG 659 2.400 -11.249 -0.432 1019 HH21 ARG 659 1HH2 ARG 659 3.953 -9.947 2.334 1020 HH22 ARG 659 2HH2 ARG 659 2.517 -10.032 1.329 1021 H LEU 660 H LEU 660 7.055 -17.429 -0.029 1022 HA LEU 660 HA LEU 660 4.228 -17.887 -0.787 1023 HB2 LEU 660 2HB LEU 660 5.744 -17.077 -2.520 1024 HB3 LEU 660 3HB LEU 660 6.852 -18.410 -2.221 1025 HG LEU 660 HG LEU 660 5.136 -20.024 -3.021 1026 HD11 LEU 660 1HD1 LEU 660 3.161 -19.160 -4.240 1027 HD12 LEU 660 2HD1 LEU 660 3.548 -17.511 -3.713 1028 HD13 LEU 660 3HD1 LEU 660 3.081 -18.751 -2.524 1029 HD21 LEU 660 3HD2 LEU 660 5.286 -19.366 -5.400 1030 HD22 LEU 660 1HD2 LEU 660 6.824 -19.087 -4.563 1031 HD23 LEU 660 2HD2 LEU 660 5.748 -17.723 -4.929 1032 H ASP 661 H ASP 661 7.183 -19.951 -0.564 1033 HA ASP 661 HA ASP 661 5.465 -22.234 0.336 1034 HB2 ASP 661 2HB ASP 661 8.235 -22.138 -0.898 1035 HB3 ASP 661 3HB ASP 661 7.487 -23.595 -0.255 1036 H ARG 662 H ARG 662 6.315 -23.683 1.979 1037 HA ARG 662 HA ARG 662 7.951 -22.339 4.107 1038 HB2 ARG 662 2HB ARG 662 6.531 -25.024 4.292 1039 HB3 ARG 662 3HB ARG 662 7.282 -24.094 5.575 1040 HG2 ARG 662 2HG ARG 662 5.137 -23.519 6.013 1041 HG3 ARG 662 3HG ARG 662 5.459 -22.247 4.826 1042 HD2 ARG 662 2HD ARG 662 4.454 -23.774 3.063 1043 HD3 ARG 662 3HD ARG 662 4.165 -24.963 4.346 1044 HE ARG 662 HE ARG 662 2.986 -22.273 4.737 1045 HH11 ARG 662 1HH1 ARG 662 2.301 -25.588 3.756 1046 HH12 ARG 662 2HH1 ARG 662 0.585 -25.370 3.981 1047 HH21 ARG 662 1HH2 ARG 662 0.926 -22.041 4.939 1048 HH22 ARG 662 2HH2 ARG 662 -0.196 -23.381 4.649 1049 H ILE 663 H ILE 663 7.846 -25.195 2.035 1050 HA ILE 663 HA ILE 663 9.249 -26.820 1.429 1051 HB ILE 663 HB ILE 663 11.543 -25.002 2.212 1052 HG12 ILE 663 2HG1 ILE 663 10.156 -23.740 0.683 1053 HG13 ILE 663 3HG1 ILE 663 11.648 -24.238 -0.088 1054 HG21 ILE 663 1HG2 ILE 663 12.742 -26.295 0.424 1055 HG22 ILE 663 2HG2 ILE 663 12.340 -27.234 1.859 1056 HG23 ILE 663 3HG2 ILE 663 11.365 -27.415 0.381 1057 HD11 ILE 663 3HD1 ILE 663 10.470 -26.050 -1.273 1058 HD12 ILE 663 1HD1 ILE 663 8.947 -25.592 -0.470 1059 HD13 ILE 663 2HD1 ILE 663 9.727 -24.477 -1.601 1060 H GLY 664 H GLY 664 10.315 -25.454 4.468 1061 HA2 GLY 664 2HA GLY 664 9.769 -27.525 6.235 1062 HA3 GLY 664 3HA GLY 664 11.461 -27.753 5.723 1063 H LYS 665 H LYS 665 12.947 -26.215 6.145 1064 HA LYS 665 HA LYS 665 14.153 -24.672 7.164 1065 HB2 LYS 665 2HB LYS 665 11.784 -22.950 6.625 1066 HB3 LYS 665 3HB LYS 665 13.388 -22.352 7.065 1067 HG2 LYS 665 2HG LYS 665 14.351 -23.478 5.066 1068 HG3 LYS 665 3HG LYS 665 12.743 -24.036 4.600 1069 HD2 LYS 665 2HD LYS 665 13.288 -22.142 3.260 1070 HD3 LYS 665 3HD LYS 665 11.992 -21.672 4.369 1071 HE2 LYS 665 2HE LYS 665 13.608 -20.521 5.823 1072 HE3 LYS 665 3HE LYS 665 14.962 -21.101 4.836 1073 HZ1 LYS 665 3HZ LYS 665 12.806 -19.300 3.869 1074 HZ2 LYS 665 1HZ LYS 665 14.101 -19.779 2.987 1075 HZ3 LYS 665 2HZ LYS 665 14.299 -18.791 4.267 1076 H LYS 666 H LYS 666 14.707 -23.342 8.891 1077 HA LYS 666 HA LYS 666 13.060 -23.010 11.239 1078 HB2 LYS 666 2HB LYS 666 14.466 -24.291 12.799 1079 HB3 LYS 666 3HB LYS 666 13.672 -25.334 11.628 1080 HG2 LYS 666 2HG LYS 666 15.867 -25.370 10.310 1081 HG3 LYS 666 3HG LYS 666 16.606 -24.508 11.676 1082 HD2 LYS 666 2HD LYS 666 15.874 -26.381 13.186 1083 HD3 LYS 666 3HD LYS 666 15.220 -27.227 11.768 1084 HE2 LYS 666 2HE LYS 666 17.517 -27.183 10.743 1085 HE3 LYS 666 3HE LYS 666 18.134 -26.454 12.238 1086 HZ1 LYS 666 3HZ LYS 666 17.326 -28.428 13.424 1087 HZ2 LYS 666 1HZ LYS 666 18.434 -28.842 12.297 1088 HZ3 LYS 666 2HZ LYS 666 16.813 -29.100 12.017 1089 H ASN 667 H ASN 667 13.973 -21.448 12.678 1090 HA ASN 667 HA ASN 667 16.551 -20.245 11.990 1091 HB2 ASN 667 2HB ASN 667 14.905 -19.487 10.190 1092 HB3 ASN 667 3HB ASN 667 14.044 -18.598 11.443 1093 HD21 ASN 667 HD21 ASN 667 15.292 -16.782 12.541 1094 HD22 ASN 667 HD22 ASN 667 16.639 -16.112 11.640 1095 H SER 668 H SER 668 17.346 -18.830 13.521 1096 HA SER 668 HA SER 668 16.201 -18.802 16.142 1097 HB2 SER 668 2HB SER 668 18.086 -17.497 16.792 1098 HB3 SER 668 3HB SER 668 18.614 -18.779 15.692 1099 HG SER 668 HG SER 668 19.633 -17.005 14.928 1100 H ILE 669 H ILE 669 16.311 -16.629 17.388 1101 HA ILE 669 HA ILE 669 13.860 -15.338 16.692 1102 HB ILE 669 HB ILE 669 13.988 -14.343 18.875 1103 HG12 ILE 669 2HG1 ILE 669 16.902 -15.263 18.959 1104 HG13 ILE 669 3HG1 ILE 669 16.314 -13.598 18.934 1105 HG21 ILE 669 1HG2 ILE 669 15.117 -17.176 19.014 1106 HG22 ILE 669 2HG2 ILE 669 14.042 -16.379 20.185 1107 HG23 ILE 669 3HG2 ILE 669 13.439 -16.784 18.578 1108 HD11 ILE 669 3HD1 ILE 669 15.184 -14.020 21.149 1109 HD12 ILE 669 1HD1 ILE 669 15.995 -15.604 21.198 1110 HD13 ILE 669 2HD1 ILE 669 16.954 -14.122 21.188 1111 H LEU 670 H LEU 670 13.392 -13.047 16.763 1112 HA LEU 670 HA LEU 670 15.432 -11.373 15.383 1113 HB2 LEU 670 2HB LEU 670 13.350 -11.767 14.189 1114 HB3 LEU 670 3HB LEU 670 12.401 -11.278 15.593 1115 HG LEU 670 HG LEU 670 13.237 -8.986 15.403 1116 HD11 LEU 670 1HD1 LEU 670 14.444 -8.302 13.306 1117 HD12 LEU 670 2HD1 LEU 670 14.678 -10.017 12.916 1118 HD13 LEU 670 3HD1 LEU 670 15.430 -9.306 14.366 1119 HD21 LEU 670 3HD2 LEU 670 12.137 -10.068 12.772 1120 HD22 LEU 670 1HD2 LEU 670 12.026 -8.389 13.346 1121 HD23 LEU 670 2HD2 LEU 670 11.175 -9.674 14.213 1122 H LEU 671 H LEU 671 16.601 -10.202 16.772 1123 HA LEU 671 HA LEU 671 15.323 -9.055 19.221 1124 HB2 LEU 671 2HB LEU 671 17.261 -9.664 20.522 1125 HB3 LEU 671 3HB LEU 671 16.500 -11.060 19.796 1126 HG LEU 671 HG LEU 671 18.342 -11.049 18.021 1127 HD11 LEU 671 1HD1 LEU 671 20.500 -9.987 18.755 1128 HD12 LEU 671 2HD1 LEU 671 19.607 -9.078 19.985 1129 HD13 LEU 671 3HD1 LEU 671 19.310 -8.809 18.252 1130 HD21 LEU 671 3HD2 LEU 671 19.956 -12.133 19.529 1131 HD22 LEU 671 1HD2 LEU 671 18.305 -12.602 19.934 1132 HD23 LEU 671 2HD2 LEU 671 19.148 -11.408 20.938 1133 H HIS 672 H HIS 672 16.631 -7.378 20.281 1134 HA HIS 672 HA HIS 672 17.391 -5.262 20.336 1135 HB2 HIS 672 2HB HIS 672 19.502 -6.375 19.853 1136 HB3 HIS 672 3HB HIS 672 19.226 -6.211 18.125 1137 HD1 HIS 672 1HD HIS 672 19.158 -3.527 20.970 1138 HD2 HIS 672 2HD HIS 672 20.878 -4.469 17.241 1139 HE1 HIS 672 1HE HIS 672 20.651 -1.546 20.329 Start of MODEL 17 1 H ASN 534 H ASN 534 8.812 15.819 1.371 2 HA ASN 534 HA ASN 534 5.922 15.096 1.253 3 HB2 ASN 534 2HB ASN 534 7.309 15.323 -0.952 4 HB3 ASN 534 3HB ASN 534 7.980 13.758 -0.507 5 HD21 ASN 534 HD21 ASN 534 6.570 13.964 -2.854 6 HD22 ASN 534 HD22 ASN 534 4.947 13.283 -2.665 7 H CYS 535 H CYS 535 5.537 12.705 1.505 8 HA CYS 535 HA CYS 535 6.248 12.321 4.223 9 HB2 CYS 535 2HB CYS 535 4.458 10.685 4.207 10 HB3 CYS 535 3HB CYS 535 3.981 12.113 3.284 11 HG CYS 535 HG CYS 535 5.219 9.246 2.185 12 H ARG 536 H ARG 536 8.632 11.786 2.766 13 HA ARG 536 HA ARG 536 9.267 9.021 2.453 14 HB2 ARG 536 2HB ARG 536 11.626 9.698 2.698 15 HB3 ARG 536 3HB ARG 536 10.745 10.700 1.556 16 HG2 ARG 536 2HG ARG 536 10.557 12.512 3.213 17 HG3 ARG 536 3HG ARG 536 11.405 11.540 4.419 18 HD2 ARG 536 2HD ARG 536 12.615 12.302 1.727 19 HD3 ARG 536 3HD ARG 536 12.795 13.261 3.204 20 HE ARG 536 HE ARG 536 13.545 10.576 3.795 21 HH11 ARG 536 1HH1 ARG 536 14.863 13.375 2.055 22 HH12 ARG 536 2HH1 ARG 536 16.475 12.724 2.155 23 HH21 ARG 536 1HH2 ARG 536 15.514 9.994 4.074 24 HH22 ARG 536 2HH2 ARG 536 16.880 10.902 3.425 25 H LYS 537 H LYS 537 9.320 10.982 5.392 26 HA LYS 537 HA LYS 537 10.531 9.025 7.101 27 HB2 LYS 537 2HB LYS 537 10.568 11.339 7.640 28 HB3 LYS 537 3HB LYS 537 8.824 11.484 7.593 29 HG2 LYS 537 2HG LYS 537 9.876 9.510 9.589 30 HG3 LYS 537 3HG LYS 537 10.350 11.189 9.853 31 HD2 LYS 537 2HD LYS 537 7.986 11.897 9.719 32 HD3 LYS 537 3HD LYS 537 7.478 10.207 9.566 33 HE2 LYS 537 2HE LYS 537 8.210 9.685 11.781 34 HE3 LYS 537 3HE LYS 537 9.184 11.163 11.896 35 HZ1 LYS 537 3HZ LYS 537 7.216 12.480 12.026 36 HZ2 LYS 537 1HZ LYS 537 7.023 11.276 13.112 37 HZ3 LYS 537 2HZ LYS 537 6.230 11.207 11.676 38 H LEU 538 H LEU 538 7.179 9.448 6.099 39 HA LEU 538 HA LEU 538 6.144 7.573 8.076 40 HB2 LEU 538 2HB LEU 538 4.935 9.556 7.188 41 HB3 LEU 538 3HB LEU 538 4.841 8.803 5.611 42 HG LEU 538 HG LEU 538 2.763 8.782 6.977 43 HD11 LEU 538 1HD1 LEU 538 3.128 7.138 5.142 44 HD12 LEU 538 2HD1 LEU 538 2.012 6.600 6.410 45 HD13 LEU 538 3HD1 LEU 538 3.651 5.947 6.358 46 HD21 LEU 538 3HD2 LEU 538 2.445 7.241 8.808 47 HD22 LEU 538 1HD2 LEU 538 3.780 8.338 9.195 48 HD23 LEU 538 2HD2 LEU 538 4.117 6.664 8.693 49 H VAL 539 H VAL 539 6.747 7.426 4.523 50 HA VAL 539 HA VAL 539 5.996 4.626 4.289 51 HB VAL 539 HB VAL 539 6.138 6.503 2.469 52 HG11 VAL 539 1HG1 VAL 539 8.052 6.157 0.939 53 HG12 VAL 539 2HG1 VAL 539 8.608 6.757 2.536 54 HG13 VAL 539 3HG1 VAL 539 8.765 5.035 2.083 55 HG21 VAL 539 3HG2 VAL 539 6.741 3.567 2.071 56 HG22 VAL 539 1HG2 VAL 539 5.139 4.298 2.208 57 HG23 VAL 539 2HG2 VAL 539 6.148 4.662 0.795 58 H ALA 540 H ALA 540 9.194 6.173 4.877 59 HA ALA 540 HA ALA 540 10.671 3.718 4.858 60 HB1 ALA 540 1HB ALA 540 11.160 6.347 6.317 61 HB2 ALA 540 2HB ALA 540 12.361 5.076 6.048 62 HB3 ALA 540 3HB ALA 540 11.684 5.953 4.659 63 H SER 541 H SER 541 8.335 4.821 7.151 64 HA SER 541 HA SER 541 9.543 3.450 9.453 65 HB2 SER 541 2HB SER 541 8.046 5.602 9.441 66 HB3 SER 541 3HB SER 541 6.734 4.414 9.463 67 HG SER 541 HG SER 541 7.494 3.624 11.402 68 H MET 542 H MET 542 7.858 2.436 6.742 69 HA MET 542 HA MET 542 6.215 0.411 7.863 70 HB2 MET 542 2HB MET 542 5.935 1.933 5.807 71 HB3 MET 542 3HB MET 542 7.092 0.880 5.002 72 HG2 MET 542 2HG MET 542 4.481 0.002 6.213 73 HG3 MET 542 3HG MET 542 4.653 0.524 4.535 74 HE1 MET 542 3HE MET 542 4.261 -3.058 3.440 75 HE2 MET 542 1HE MET 542 3.308 -1.722 4.131 76 HE3 MET 542 2HE MET 542 4.415 -1.418 2.768 77 HA PRO 543 HA PRO 543 9.355 -2.648 8.317 78 HB2 PRO 543 2HB PRO 543 7.932 -5.030 7.972 79 HB3 PRO 543 3HB PRO 543 7.908 -3.998 9.431 80 HG2 PRO 543 2HG PRO 543 5.943 -4.025 7.129 81 HG3 PRO 543 3HG PRO 543 5.602 -4.023 8.892 82 HD2 PRO 543 2HD PRO 543 5.482 -1.735 7.517 83 HD3 PRO 543 3HD PRO 543 6.273 -1.736 9.096 84 H LEU 544 H LEU 544 7.611 -2.742 5.272 85 HA LEU 544 HA LEU 544 9.368 -4.555 3.856 86 HB2 LEU 544 2HB LEU 544 7.002 -4.134 3.399 87 HB3 LEU 544 3HB LEU 544 7.331 -2.480 2.937 88 HG LEU 544 HG LEU 544 8.738 -4.624 1.371 89 HD11 LEU 544 1HD1 LEU 544 6.426 -5.425 1.565 90 HD12 LEU 544 2HD1 LEU 544 6.684 -4.767 -0.061 91 HD13 LEU 544 3HD1 LEU 544 5.813 -3.806 1.168 92 HD21 LEU 544 3HD2 LEU 544 8.283 -3.032 -0.473 93 HD22 LEU 544 1HD2 LEU 544 9.085 -2.169 0.848 94 HD23 LEU 544 2HD2 LEU 544 7.337 -2.000 0.619 95 H PHE 545 H PHE 545 9.651 -1.236 4.714 96 HA PHE 545 HA PHE 545 11.763 -0.661 2.701 97 HB2 PHE 545 2HB PHE 545 10.055 1.228 4.349 98 HB3 PHE 545 3HB PHE 545 11.245 1.699 3.159 99 HD1 PHE 545 2HD PHE 545 8.023 -0.216 3.465 100 HD2 PHE 545 1HD PHE 545 10.579 2.154 0.949 101 HE1 PHE 545 2HE PHE 545 6.096 0.281 1.997 102 HE2 PHE 545 1HE PHE 545 8.647 2.644 -0.542 103 HZ PHE 545 HZ PHE 545 6.379 1.828 0.083 104 H ALA 546 H ALA 546 11.851 -1.924 5.636 105 HA ALA 546 HA ALA 546 13.123 -0.211 7.496 106 HB1 ALA 546 1HB ALA 546 12.197 -2.566 7.810 107 HB2 ALA 546 2HB ALA 546 13.629 -3.155 6.903 108 HB3 ALA 546 3HB ALA 546 13.840 -2.351 8.472 109 H ASN 547 H ASN 547 14.327 -1.875 4.746 110 HA ASN 547 HA ASN 547 17.208 -1.355 5.264 111 HB2 ASN 547 2HB ASN 547 15.531 -3.749 4.576 112 HB3 ASN 547 3HB ASN 547 16.964 -3.574 3.643 113 HD21 ASN 547 HD21 ASN 547 16.025 -3.376 7.099 114 HD22 ASN 547 HD22 ASN 547 17.475 -4.222 7.595 115 H ALA 548 H ALA 548 14.853 0.069 3.752 116 HA ALA 548 HA ALA 548 15.743 0.152 1.004 117 HB1 ALA 548 1HB ALA 548 13.404 0.640 1.665 118 HB2 ALA 548 2HB ALA 548 13.961 2.085 2.535 119 HB3 ALA 548 3HB ALA 548 14.137 2.007 0.778 120 H ASP 549 H ASP 549 16.953 1.678 -0.112 121 HA ASP 549 HA ASP 549 18.814 3.375 1.308 122 HB2 ASP 549 2HB ASP 549 19.505 2.447 -0.744 123 HB3 ASP 549 3HB ASP 549 18.105 3.038 -1.617 124 HA PRO 550 HA PRO 550 16.004 6.669 2.097 125 HB2 PRO 550 2HB PRO 550 17.682 8.735 2.710 126 HB3 PRO 550 3HB PRO 550 17.484 7.291 3.745 127 HG2 PRO 550 2HG PRO 550 19.632 7.798 1.652 128 HG3 PRO 550 3HG PRO 550 19.855 7.287 3.361 129 HD2 PRO 550 2HD PRO 550 19.839 5.474 1.370 130 HD3 PRO 550 3HD PRO 550 19.009 5.117 2.915 131 H ASN 551 H ASN 551 18.175 6.952 -0.637 132 HA ASN 551 HA ASN 551 16.879 9.408 -1.665 133 HB2 ASN 551 2HB ASN 551 18.853 7.692 -3.178 134 HB3 ASN 551 3HB ASN 551 18.517 9.405 -3.356 135 HD21 ASN 551 HD21 ASN 551 20.179 6.945 -1.509 136 HD22 ASN 551 HD22 ASN 551 21.411 8.030 -0.867 137 H PHE 552 H PHE 552 17.047 5.885 -2.236 138 HA PHE 552 HA PHE 552 15.365 5.699 -4.546 139 HB2 PHE 552 2HB PHE 552 16.663 3.798 -3.991 140 HB3 PHE 552 3HB PHE 552 16.224 3.886 -2.303 141 HD1 PHE 552 1HD PHE 552 14.559 3.247 -5.625 142 HD2 PHE 552 2HD PHE 552 14.704 2.420 -1.403 143 HE1 PHE 552 1HE PHE 552 12.707 1.610 -5.874 144 HE2 PHE 552 2HE PHE 552 12.860 0.769 -1.658 145 HZ PHE 552 HZ PHE 552 11.852 0.381 -3.901 146 H VAL 553 H VAL 553 14.549 5.287 -1.081 147 HA VAL 553 HA VAL 553 11.757 4.926 -1.418 148 HB VAL 553 HB VAL 553 13.164 4.434 0.584 149 HG11 VAL 553 1HG1 VAL 553 12.800 7.360 1.356 150 HG12 VAL 553 2HG1 VAL 553 13.622 6.075 2.269 151 HG13 VAL 553 3HG1 VAL 553 14.302 6.652 0.741 152 HG21 VAL 553 3HG2 VAL 553 11.458 4.811 2.228 153 HG22 VAL 553 1HG2 VAL 553 10.756 6.130 1.266 154 HG23 VAL 553 2HG2 VAL 553 10.667 4.457 0.673 155 H THR 554 H THR 554 13.636 7.819 -1.404 156 HA THR 554 HA THR 554 11.404 9.704 -1.128 157 HB THR 554 HB THR 554 14.368 10.100 -1.721 158 HG1 THR 554 1HG THR 554 14.415 9.741 0.323 159 HG21 THR 554 1HG2 THR 554 12.112 12.043 -1.170 160 HG22 THR 554 2HG2 THR 554 13.164 11.999 -2.608 161 HG23 THR 554 3HG2 THR 554 13.838 12.474 -1.032 162 H ALA 555 H ALA 555 13.363 8.352 -3.811 163 HA ALA 555 HA ALA 555 12.480 10.288 -5.736 164 HB1 ALA 555 1HB ALA 555 13.618 7.463 -6.071 165 HB2 ALA 555 2HB ALA 555 13.470 8.676 -7.360 166 HB3 ALA 555 3HB ALA 555 14.561 8.969 -5.997 167 H MET 556 H MET 556 11.006 7.510 -4.340 168 HA MET 556 HA MET 556 9.177 6.809 -6.466 169 HB2 MET 556 2HB MET 556 10.011 5.431 -4.539 170 HB3 MET 556 3HB MET 556 8.933 6.333 -3.464 171 HG2 MET 556 2HG MET 556 6.977 5.571 -4.800 172 HG3 MET 556 3HG MET 556 8.054 4.703 -5.885 173 HE1 MET 556 3HE MET 556 9.926 3.803 -2.791 174 HE2 MET 556 1HE MET 556 9.568 2.101 -3.149 175 HE3 MET 556 2HE MET 556 10.070 3.177 -4.486 176 H LEU 557 H LEU 557 9.096 9.339 -4.045 177 HA LEU 557 HA LEU 557 6.208 9.417 -3.763 178 HB2 LEU 557 2HB LEU 557 8.207 11.522 -2.893 179 HB3 LEU 557 3HB LEU 557 6.614 11.163 -2.219 180 HG LEU 557 HG LEU 557 9.113 9.445 -1.985 181 HD11 LEU 557 1HD1 LEU 557 9.115 11.430 -0.564 182 HD12 LEU 557 2HD1 LEU 557 8.922 9.937 0.374 183 HD13 LEU 557 3HD1 LEU 557 7.510 10.981 0.083 184 HD21 LEU 557 3HD2 LEU 557 7.157 7.958 -2.078 185 HD22 LEU 557 1HD2 LEU 557 6.325 8.949 -0.848 186 HD23 LEU 557 2HD2 LEU 557 7.798 8.037 -0.444 187 H THR 558 H THR 558 8.408 10.972 -5.941 188 HA THR 558 HA THR 558 6.982 13.346 -6.555 189 HB THR 558 HB THR 558 8.437 13.379 -8.570 190 HG1 THR 558 1HG THR 558 9.831 11.608 -8.858 191 HG21 THR 558 1HG2 THR 558 9.972 12.394 -6.112 192 HG22 THR 558 2HG2 THR 558 9.381 14.053 -6.335 193 HG23 THR 558 3HG2 THR 558 10.601 13.388 -7.432 194 H LYS 559 H LYS 559 6.545 10.120 -7.818 195 HA LYS 559 HA LYS 559 4.319 11.017 -9.610 196 HB2 LYS 559 2HB LYS 559 4.872 8.939 -11.006 197 HB3 LYS 559 3HB LYS 559 5.829 10.384 -11.167 198 HG2 LYS 559 2HG LYS 559 7.102 8.247 -11.209 199 HG3 LYS 559 3HG LYS 559 7.695 9.488 -10.108 200 HD2 LYS 559 2HD LYS 559 7.945 7.605 -8.802 201 HD3 LYS 559 3HD LYS 559 6.386 8.170 -8.250 202 HE2 LYS 559 2HE LYS 559 6.216 5.826 -8.541 203 HE3 LYS 559 3HE LYS 559 5.264 6.575 -9.823 204 HZ1 LYS 559 3HZ LYS 559 6.690 5.669 -11.381 205 HZ2 LYS 559 1HZ LYS 559 7.328 4.756 -10.173 206 HZ3 LYS 559 2HZ LYS 559 8.023 6.174 -10.592 207 H LEU 560 H LEU 560 4.116 10.318 -6.834 208 HA LEU 560 HA LEU 560 2.957 7.639 -6.683 209 HB2 LEU 560 2HB LEU 560 4.602 8.480 -5.076 210 HB3 LEU 560 3HB LEU 560 3.582 9.846 -4.667 211 HG LEU 560 HG LEU 560 2.950 6.956 -3.973 212 HD11 LEU 560 1HD1 LEU 560 3.647 7.637 -1.677 213 HD12 LEU 560 2HD1 LEU 560 4.172 9.202 -2.326 214 HD13 LEU 560 3HD1 LEU 560 4.968 7.689 -2.845 215 HD21 LEU 560 3HD2 LEU 560 1.579 8.416 -2.163 216 HD22 LEU 560 1HD2 LEU 560 0.927 7.895 -3.702 217 HD23 LEU 560 2HD2 LEU 560 1.555 9.567 -3.502 218 H LYS 561 H LYS 561 0.715 7.296 -5.935 219 HA LYS 561 HA LYS 561 -1.103 9.629 -6.305 220 HB2 LYS 561 2HB LYS 561 -0.972 7.860 -8.212 221 HB3 LYS 561 3HB LYS 561 -1.809 6.796 -7.099 222 HG2 LYS 561 2HG LYS 561 -3.642 7.656 -8.121 223 HG3 LYS 561 3HG LYS 561 -3.474 8.942 -6.945 224 HD2 LYS 561 2HD LYS 561 -2.539 8.915 -9.846 225 HD3 LYS 561 3HD LYS 561 -3.848 9.877 -9.156 226 HE2 LYS 561 2HE LYS 561 -2.167 11.150 -7.798 227 HE3 LYS 561 3HE LYS 561 -0.861 10.221 -8.546 228 HZ1 LYS 561 3HZ LYS 561 -1.609 11.071 -10.710 229 HZ2 LYS 561 1HZ LYS 561 -1.196 12.301 -9.691 230 HZ3 LYS 561 2HZ LYS 561 -2.787 11.951 -10.024 231 H PHE 562 H PHE 562 -2.736 9.876 -4.935 232 HA PHE 562 HA PHE 562 -3.043 7.975 -2.663 233 HB2 PHE 562 2HB PHE 562 -2.632 9.547 -1.115 234 HB3 PHE 562 3HB PHE 562 -1.571 10.167 -2.334 235 HD1 PHE 562 1HD PHE 562 -4.732 10.678 -0.481 236 HD2 PHE 562 2HD PHE 562 -2.090 12.308 -3.472 237 HE1 PHE 562 1HE PHE 562 -5.907 12.870 -0.334 238 HE2 PHE 562 2HE PHE 562 -3.254 14.481 -3.316 239 HZ PHE 562 HZ PHE 562 -5.173 14.777 -1.751 240 H GLU 563 H GLU 563 -5.077 8.185 -1.452 241 HA GLU 563 HA GLU 563 -7.273 9.613 -2.820 242 HB2 GLU 563 2HB GLU 563 -6.992 7.450 -4.047 243 HB3 GLU 563 3HB GLU 563 -7.335 6.566 -2.553 244 HG2 GLU 563 2HG GLU 563 -9.593 7.422 -2.490 245 HG3 GLU 563 3HG GLU 563 -9.247 8.599 -3.763 246 H VAL 564 H VAL 564 -9.209 9.807 -1.608 247 HA VAL 564 HA VAL 564 -8.940 9.170 1.310 248 HB VAL 564 HB VAL 564 -10.379 11.509 0.031 249 HG11 VAL 564 1HG1 VAL 564 -11.441 10.845 2.165 250 HG12 VAL 564 2HG1 VAL 564 -9.862 11.033 2.977 251 HG13 VAL 564 3HG1 VAL 564 -10.691 12.399 2.174 252 HG21 VAL 564 3HG2 VAL 564 -8.609 12.865 1.241 253 HG22 VAL 564 1HG2 VAL 564 -7.724 11.333 1.494 254 HG23 VAL 564 2HG2 VAL 564 -8.027 11.912 -0.165 255 H PHE 565 H PHE 565 -10.635 8.422 2.378 256 HA PHE 565 HA PHE 565 -13.255 8.075 0.992 257 HB2 PHE 565 2HB PHE 565 -11.826 6.090 2.784 258 HB3 PHE 565 3HB PHE 565 -13.505 5.952 2.285 259 HD1 PHE 565 1HD PHE 565 -9.965 5.953 1.019 260 HD2 PHE 565 2HD PHE 565 -14.124 5.256 0.058 261 HE1 PHE 565 1HE PHE 565 -9.311 4.854 -1.114 262 HE2 PHE 565 2HE PHE 565 -13.442 4.121 -2.041 263 HZ PHE 565 HZ PHE 565 -11.034 3.885 -2.600 264 H GLN 566 H GLN 566 -15.084 8.415 2.206 265 HA GLN 566 HA GLN 566 -14.764 9.972 4.721 266 HB2 GLN 566 2HB GLN 566 -17.065 9.748 2.718 267 HB3 GLN 566 3HB GLN 566 -17.141 10.643 4.202 268 HG2 GLN 566 2HG GLN 566 -16.774 12.293 2.694 269 HG3 GLN 566 3HG GLN 566 -15.248 12.073 3.557 270 HE21 GLN 566 HE21 GLN 566 -13.719 12.622 1.903 271 HE22 GLN 566 HE22 GLN 566 -13.681 11.628 0.470 272 HA PRO 567 HA PRO 567 -16.328 7.035 7.445 273 HB2 PRO 567 2HB PRO 567 -18.805 8.586 8.143 274 HB3 PRO 567 3HB PRO 567 -17.544 7.907 9.213 275 HG2 PRO 567 2HG PRO 567 -17.648 10.574 8.614 276 HG3 PRO 567 3HG PRO 567 -16.088 9.732 8.765 277 HD2 PRO 567 2HD PRO 567 -17.597 10.483 6.287 278 HD3 PRO 567 3HD PRO 567 -15.834 10.545 6.592 279 H GLY 568 H GLY 568 -17.118 5.081 6.990 280 HA2 GLY 568 2HA GLY 568 -18.820 3.479 6.876 281 HA3 GLY 568 3HA GLY 568 -19.926 4.666 6.173 282 H ASP 569 H ASP 569 -17.189 5.291 4.438 283 HA ASP 569 HA ASP 569 -18.434 4.025 2.262 284 HB2 ASP 569 2HB ASP 569 -17.346 6.351 2.450 285 HB3 ASP 569 3HB ASP 569 -15.815 5.542 2.125 286 H TYR 570 H TYR 570 -18.020 2.120 1.305 287 HA TYR 570 HA TYR 570 -15.976 0.284 2.211 288 HB2 TYR 570 2HB TYR 570 -17.933 0.207 -0.092 289 HB3 TYR 570 3HB TYR 570 -16.728 -1.043 0.158 290 HD1 TYR 570 HD1 TYR 570 -16.783 -2.554 2.106 291 HD2 TYR 570 HD2 TYR 570 -19.906 0.330 1.381 292 HE1 TYR 570 HE1 TYR 570 -18.272 -3.776 3.676 293 HE2 TYR 570 HE2 TYR 570 -21.405 -0.912 2.931 294 HH TYR 570 HH TYR 570 -20.342 -3.845 4.692 295 H ILE 571 H ILE 571 -13.878 0.164 1.664 296 HA ILE 571 HA ILE 571 -12.984 2.253 -0.180 297 HB ILE 571 HB ILE 571 -10.833 2.011 0.878 298 HG12 ILE 571 2HG1 ILE 571 -12.028 0.017 2.850 299 HG13 ILE 571 3HG1 ILE 571 -11.208 -0.540 1.401 300 HG21 ILE 571 1HG2 ILE 571 -11.391 2.930 3.010 301 HG22 ILE 571 2HG2 ILE 571 -12.707 3.404 1.918 302 HG23 ILE 571 3HG2 ILE 571 -12.952 2.092 3.063 303 HD11 ILE 571 3HD1 ILE 571 -9.202 0.708 1.982 304 HD12 ILE 571 1HD1 ILE 571 -9.967 1.203 3.518 305 HD13 ILE 571 2HD1 ILE 571 -9.669 -0.521 3.184 306 H ILE 572 H ILE 572 -12.754 -1.242 -0.166 307 HA ILE 572 HA ILE 572 -10.837 -1.226 -2.441 308 HB ILE 572 HB ILE 572 -11.091 -2.790 0.129 309 HG12 ILE 572 2HG1 ILE 572 -8.791 -1.545 -1.423 310 HG13 ILE 572 3HG1 ILE 572 -9.632 -0.775 -0.121 311 HG21 ILE 572 1HG2 ILE 572 -9.528 -4.488 -0.640 312 HG22 ILE 572 2HG2 ILE 572 -11.029 -4.572 -1.561 313 HG23 ILE 572 3HG2 ILE 572 -9.578 -3.827 -2.287 314 HD11 ILE 572 3HD1 ILE 572 -7.860 -3.222 0.156 315 HD12 ILE 572 1HD1 ILE 572 -7.547 -1.581 0.733 316 HD13 ILE 572 2HD1 ILE 572 -8.849 -2.537 1.467 317 H ARG 573 H ARG 573 -10.976 -2.739 -4.081 318 HA ARG 573 HA ARG 573 -13.238 -4.584 -4.122 319 HB2 ARG 573 2HB ARG 573 -13.826 -2.103 -4.992 320 HB3 ARG 573 3HB ARG 573 -13.003 -2.623 -6.446 321 HG2 ARG 573 2HG ARG 573 -15.396 -2.875 -6.692 322 HG3 ARG 573 3HG ARG 573 -14.650 -4.469 -6.703 323 HD2 ARG 573 2HD ARG 573 -16.697 -4.520 -5.430 324 HD3 ARG 573 3HD ARG 573 -15.342 -4.807 -4.332 325 HE ARG 573 HE ARG 573 -15.744 -2.110 -4.050 326 HH11 ARG 573 1HH1 ARG 573 -17.811 -4.942 -3.531 327 HH12 ARG 573 2HH1 ARG 573 -18.851 -4.010 -2.458 328 HH21 ARG 573 1HH2 ARG 573 -17.091 -1.119 -2.660 329 HH22 ARG 573 2HH2 ARG 573 -18.462 -2.021 -1.960 330 H GLU 574 H GLU 574 -13.282 -6.134 -5.775 331 HA GLU 574 HA GLU 574 -10.670 -6.888 -6.929 332 HB2 GLU 574 2HB GLU 574 -12.205 -8.472 -5.688 333 HB3 GLU 574 3HB GLU 574 -13.367 -8.288 -7.007 334 HG2 GLU 574 2HG GLU 574 -11.604 -9.140 -8.591 335 HG3 GLU 574 3HG GLU 574 -10.561 -9.469 -7.215 336 H GLY 575 H GLY 575 -10.198 -6.985 -9.136 337 HA2 GLY 575 2HA GLY 575 -12.198 -6.920 -11.215 338 HA3 GLY 575 3HA GLY 575 -11.533 -5.307 -10.983 339 H THR 576 H THR 576 -8.785 -6.966 -10.416 340 HA THR 576 HA THR 576 -8.152 -7.794 -13.168 341 HB THR 576 HB THR 576 -8.084 -5.313 -13.240 342 HG1 THR 576 1HG THR 576 -6.086 -5.284 -14.283 343 HG21 THR 576 1HG2 THR 576 -7.087 -4.997 -10.900 344 HG22 THR 576 2HG2 THR 576 -6.322 -4.063 -12.191 345 HG23 THR 576 3HG2 THR 576 -5.535 -5.532 -11.584 346 H ILE 577 H ILE 577 -5.953 -8.362 -13.497 347 HA ILE 577 HA ILE 577 -4.486 -9.522 -11.174 348 HB ILE 577 HB ILE 577 -4.261 -9.991 -14.186 349 HG12 ILE 577 2HG1 ILE 577 -4.780 -12.356 -13.597 350 HG13 ILE 577 3HG1 ILE 577 -5.231 -11.851 -11.970 351 HG21 ILE 577 1HG2 ILE 577 -2.032 -10.136 -13.136 352 HG22 ILE 577 2HG2 ILE 577 -2.672 -11.280 -11.928 353 HG23 ILE 577 3HG2 ILE 577 -2.591 -11.723 -13.640 354 HD11 ILE 577 3HD1 ILE 577 -7.125 -12.288 -13.525 355 HD12 ILE 577 1HD1 ILE 577 -7.154 -10.643 -12.905 356 HD13 ILE 577 2HD1 ILE 577 -6.572 -10.956 -14.563 357 H GLY 578 H GLY 578 -2.490 -8.636 -10.627 358 HA2 GLY 578 2HA GLY 578 -0.518 -7.377 -10.896 359 HA3 GLY 578 3HA GLY 578 -1.057 -6.851 -12.501 360 H LYS 579 H LYS 579 -2.820 -6.812 -9.466 361 HA LYS 579 HA LYS 579 -3.926 -4.181 -9.675 362 HB2 LYS 579 2HB LYS 579 -4.983 -6.093 -8.555 363 HB3 LYS 579 3HB LYS 579 -3.728 -6.075 -7.308 364 HG2 LYS 579 2HG LYS 579 -4.423 -3.838 -6.593 365 HG3 LYS 579 3HG LYS 579 -5.597 -3.751 -7.921 366 HD2 LYS 579 2HD LYS 579 -6.854 -5.590 -6.923 367 HD3 LYS 579 3HD LYS 579 -5.663 -5.706 -5.609 368 HE2 LYS 579 2HE LYS 579 -6.084 -3.405 -4.926 369 HE3 LYS 579 3HE LYS 579 -7.163 -3.136 -6.304 370 HZ1 LYS 579 3HZ LYS 579 -7.698 -4.970 -4.026 371 HZ2 LYS 579 1HZ LYS 579 -8.714 -4.734 -5.318 372 HZ3 LYS 579 2HZ LYS 579 -8.402 -3.501 -4.318 373 H LYS 580 H LYS 580 -3.560 -2.361 -8.447 374 HA LYS 580 HA LYS 580 -0.806 -1.817 -7.632 375 HB2 LYS 580 2HB LYS 580 -1.453 0.415 -7.544 376 HB3 LYS 580 3HB LYS 580 -2.178 -0.242 -8.998 377 HG2 LYS 580 2HG LYS 580 -4.372 -0.113 -8.003 378 HG3 LYS 580 3HG LYS 580 -3.699 0.192 -6.386 379 HD2 LYS 580 2HD LYS 580 -2.695 2.297 -7.181 380 HD3 LYS 580 3HD LYS 580 -3.432 2.054 -8.781 381 HE2 LYS 580 2HE LYS 580 -5.669 2.155 -7.822 382 HE3 LYS 580 3HE LYS 580 -5.030 2.181 -6.186 383 HZ1 LYS 580 3HZ LYS 580 -4.570 4.311 -8.199 384 HZ2 LYS 580 1HZ LYS 580 -4.039 4.344 -6.641 385 HZ3 LYS 580 2HZ LYS 580 -5.654 4.373 -6.941 386 H MET 581 H MET 581 -0.232 -0.720 -5.597 387 HA MET 581 HA MET 581 -1.432 -2.356 -3.432 388 HB2 MET 581 2HB MET 581 0.904 -2.694 -3.984 389 HB3 MET 581 3HB MET 581 1.279 -1.002 -3.652 390 HG2 MET 581 2HG MET 581 0.057 -2.786 -1.524 391 HG3 MET 581 3HG MET 581 1.780 -2.851 -1.880 392 HE1 MET 581 3HE MET 581 2.182 -2.393 0.719 393 HE2 MET 581 1HE MET 581 1.511 -0.981 1.572 394 HE3 MET 581 2HE MET 581 0.425 -2.239 0.935 395 H TYR 582 H TYR 582 -2.223 -1.572 -1.472 396 HA TYR 582 HA TYR 582 -2.537 1.384 -1.270 397 HB2 TYR 582 2HB TYR 582 -4.551 -0.715 -0.373 398 HB3 TYR 582 3HB TYR 582 -4.648 0.997 -0.131 399 HD1 TYR 582 HD1 TYR 582 -4.171 -1.292 -3.147 400 HD2 TYR 582 HD2 TYR 582 -6.311 1.985 -1.320 401 HE1 TYR 582 HE1 TYR 582 -5.515 -1.024 -5.202 402 HE2 TYR 582 HE2 TYR 582 -7.704 2.200 -3.367 403 HH TYR 582 HH TYR 582 -7.197 0.123 -6.240 404 H PHE 583 H PHE 583 -2.304 2.373 0.729 405 HA PHE 583 HA PHE 583 -2.324 0.733 3.110 406 HB2 PHE 583 2HB PHE 583 -0.206 1.145 4.025 407 HB3 PHE 583 3HB PHE 583 0.060 0.547 2.416 408 HD1 PHE 583 1HD PHE 583 -0.004 3.687 4.473 409 HD2 PHE 583 2HD PHE 583 1.463 1.690 0.957 410 HE1 PHE 583 1HE PHE 583 1.508 5.599 4.036 411 HE2 PHE 583 2HE PHE 583 3.055 3.573 0.565 412 HZ PHE 583 HZ PHE 583 3.041 5.548 2.075 413 H ILE 584 H ILE 584 -2.155 1.948 5.138 414 HA ILE 584 HA ILE 584 -4.055 4.160 4.795 415 HB ILE 584 HB ILE 584 -3.299 2.731 7.391 416 HG12 ILE 584 2HG1 ILE 584 -5.372 2.047 5.243 417 HG13 ILE 584 3HG1 ILE 584 -4.013 1.046 5.743 418 HG21 ILE 584 1HG2 ILE 584 -5.810 4.263 6.423 419 HG22 ILE 584 2HG2 ILE 584 -5.542 3.634 8.061 420 HG23 ILE 584 3HG2 ILE 584 -4.575 4.979 7.459 421 HD11 ILE 584 3HD1 ILE 584 -5.062 0.943 8.042 422 HD12 ILE 584 1HD1 ILE 584 -6.526 1.619 7.274 423 HD13 ILE 584 2HD1 ILE 584 -5.848 0.063 6.711 424 H GLN 585 H GLN 585 -3.381 6.206 4.681 425 HA GLN 585 HA GLN 585 -0.726 6.882 5.781 426 HB2 GLN 585 2HB GLN 585 -1.368 7.352 3.438 427 HB3 GLN 585 3HB GLN 585 -2.598 8.480 3.994 428 HG2 GLN 585 2HG GLN 585 0.343 8.782 4.765 429 HG3 GLN 585 3HG GLN 585 -0.272 9.363 3.220 430 HE21 GLN 585 HE21 GLN 585 -2.299 10.820 3.389 431 HE22 GLN 585 HE22 GLN 585 -2.180 12.065 4.654 432 H HIS 586 H HIS 586 -4.141 8.094 6.120 433 HA HIS 586 HA HIS 586 -3.555 8.556 8.962 434 HB2 HIS 586 2HB HIS 586 -2.804 10.661 7.769 435 HB3 HIS 586 3HB HIS 586 -4.476 10.896 7.270 436 HD1 HIS 586 1HD HIS 586 -2.280 10.848 10.409 437 HD2 HIS 586 2HD HIS 586 -6.163 11.857 9.127 438 HE1 HIS 586 1HE HIS 586 -3.351 12.206 12.309 439 H GLY 587 H GLY 587 -5.241 7.230 9.689 440 HA2 GLY 587 2HA GLY 587 -7.573 8.248 10.407 441 HA3 GLY 587 3HA GLY 587 -8.010 7.665 8.804 442 H VAL 588 H VAL 588 -9.471 6.173 9.764 443 HA VAL 588 HA VAL 588 -8.250 3.727 10.834 444 HB VAL 588 HB VAL 588 -10.683 5.036 12.122 445 HG11 VAL 588 1HG1 VAL 588 -9.116 2.572 12.990 446 HG12 VAL 588 2HG1 VAL 588 -10.476 3.310 13.852 447 HG13 VAL 588 3HG1 VAL 588 -10.751 2.558 12.289 448 HG21 VAL 588 3HG2 VAL 588 -7.846 4.800 13.182 449 HG22 VAL 588 1HG2 VAL 588 -8.722 6.299 12.801 450 HG23 VAL 588 2HG2 VAL 588 -9.257 5.292 14.142 451 H VAL 589 H VAL 589 -9.432 1.849 10.322 452 HA VAL 589 HA VAL 589 -11.821 2.091 8.559 453 HB VAL 589 HB VAL 589 -11.002 0.341 7.092 454 HG11 VAL 589 1HG1 VAL 589 -10.568 2.709 6.478 455 HG12 VAL 589 2HG1 VAL 589 -8.967 2.601 7.244 456 HG13 VAL 589 3HG1 VAL 589 -9.347 1.599 5.833 457 HG21 VAL 589 3HG2 VAL 589 -8.379 0.547 8.611 458 HG22 VAL 589 1HG2 VAL 589 -9.475 -0.862 8.594 459 HG23 VAL 589 2HG2 VAL 589 -8.637 -0.390 7.129 460 H SER 590 H SER 590 -13.162 0.301 8.551 461 HA SER 590 HA SER 590 -12.883 -1.632 10.847 462 HB2 SER 590 2HB SER 590 -15.433 -0.338 9.735 463 HB3 SER 590 3HB SER 590 -15.353 -1.553 11.031 464 HG SER 590 HG SER 590 -15.477 0.787 11.627 465 H VAL 591 H VAL 591 -12.946 -3.655 10.246 466 HA VAL 591 HA VAL 591 -12.750 -4.124 7.320 467 HB VAL 591 HB VAL 591 -10.741 -3.188 8.376 468 HG11 VAL 591 1HG1 VAL 591 -11.197 -5.442 10.354 469 HG12 VAL 591 2HG1 VAL 591 -9.645 -4.566 10.280 470 HG13 VAL 591 3HG1 VAL 591 -11.052 -3.620 10.612 471 HG21 VAL 591 3HG2 VAL 591 -10.330 -5.207 6.952 472 HG22 VAL 591 1HG2 VAL 591 -9.148 -4.770 8.242 473 HG23 VAL 591 2HG2 VAL 591 -10.282 -6.126 8.534 474 H LEU 592 H LEU 592 -12.809 -6.353 6.708 475 HA LEU 592 HA LEU 592 -13.616 -8.210 8.879 476 HB2 LEU 592 2HB LEU 592 -14.873 -8.051 6.099 477 HB3 LEU 592 3HB LEU 592 -15.236 -9.248 7.308 478 HG LEU 592 HG LEU 592 -17.045 -7.818 7.076 479 HD11 LEU 592 1HD1 LEU 592 -16.551 -8.584 9.372 480 HD12 LEU 592 2HD1 LEU 592 -17.458 -7.057 9.332 481 HD13 LEU 592 3HD1 LEU 592 -15.724 -7.042 9.677 482 HD21 LEU 592 3HD2 LEU 592 -17.194 -5.498 7.335 483 HD22 LEU 592 1HD2 LEU 592 -15.864 -5.795 6.201 484 HD23 LEU 592 2HD2 LEU 592 -15.526 -5.343 7.890 485 H THR 593 H THR 593 -12.311 -9.903 8.969 486 HA THR 593 HA THR 593 -11.002 -10.869 6.470 487 HB THR 593 HB THR 593 -10.186 -12.779 7.934 488 HG1 THR 593 1HG THR 593 -10.069 -12.090 10.157 489 HG21 THR 593 1HG2 THR 593 -9.470 -9.864 8.467 490 HG22 THR 593 2HG2 THR 593 -8.811 -10.907 7.197 491 HG23 THR 593 3HG2 THR 593 -8.450 -11.294 8.879 492 H LYS 594 H LYS 594 -11.349 -12.746 5.291 493 HA LYS 594 HA LYS 594 -14.189 -13.323 5.122 494 HB2 LYS 594 2HB LYS 594 -13.956 -14.069 3.082 495 HB3 LYS 594 3HB LYS 594 -12.574 -13.010 3.166 496 HG2 LYS 594 2HG LYS 594 -12.406 -16.046 3.475 497 HG3 LYS 594 3HG LYS 594 -12.362 -15.213 1.945 498 HD2 LYS 594 2HD LYS 594 -10.139 -15.287 2.152 499 HD3 LYS 594 3HD LYS 594 -10.364 -13.849 3.128 500 HE2 LYS 594 2HE LYS 594 -8.927 -15.242 4.388 501 HE3 LYS 594 3HE LYS 594 -10.491 -15.404 5.166 502 HZ1 LYS 594 3HZ LYS 594 -9.566 -17.586 4.885 503 HZ2 LYS 594 1HZ LYS 594 -9.180 -17.347 3.330 504 HZ3 LYS 594 2HZ LYS 594 -10.758 -17.502 3.760 505 H GLY 595 H GLY 595 -15.352 -15.127 5.513 506 HA2 GLY 595 2HA GLY 595 -15.817 -17.196 6.660 507 HA3 GLY 595 3HA GLY 595 -14.077 -17.335 7.046 508 H ASN 596 H ASN 596 -14.254 -14.327 7.888 509 HA ASN 596 HA ASN 596 -14.225 -15.435 10.651 510 HB2 ASN 596 2HB ASN 596 -12.257 -13.721 9.234 511 HB3 ASN 596 3HB ASN 596 -11.996 -14.475 10.749 512 HD21 ASN 596 HD21 ASN 596 -10.097 -14.580 8.939 513 HD22 ASN 596 HD22 ASN 596 -9.902 -16.209 8.391 514 H LYS 597 H LYS 597 -12.687 -12.678 11.026 515 HA LYS 597 HA LYS 597 -15.097 -11.775 12.429 516 HB2 LYS 597 2HB LYS 597 -12.148 -11.543 13.199 517 HB3 LYS 597 3HB LYS 597 -13.484 -10.877 14.119 518 HG2 LYS 597 2HG LYS 597 -13.153 -12.744 15.294 519 HG3 LYS 597 3HG LYS 597 -14.422 -13.295 14.222 520 HD2 LYS 597 2HD LYS 597 -11.684 -13.829 13.167 521 HD3 LYS 597 3HD LYS 597 -11.970 -14.527 14.768 522 HE2 LYS 597 2HE LYS 597 -14.230 -15.361 13.645 523 HE3 LYS 597 3HE LYS 597 -13.296 -15.067 12.156 524 HZ1 LYS 597 3HZ LYS 597 -12.588 -16.909 14.360 525 HZ2 LYS 597 1HZ LYS 597 -11.569 -16.563 13.088 526 HZ3 LYS 597 2HZ LYS 597 -12.987 -17.316 12.818 527 H GLU 598 H GLU 598 -15.251 -9.624 13.229 528 HA GLU 598 HA GLU 598 -14.247 -7.668 11.279 529 HB2 GLU 598 2HB GLU 598 -15.518 -5.990 12.084 530 HB3 GLU 598 3HB GLU 598 -16.594 -7.377 12.054 531 HG2 GLU 598 2HG GLU 598 -16.528 -7.540 14.486 532 HG3 GLU 598 3HG GLU 598 -15.231 -6.337 14.584 533 H MET 599 H MET 599 -12.634 -6.467 11.531 534 HA MET 599 HA MET 599 -11.445 -5.922 14.160 535 HB2 MET 599 2HB MET 599 -9.876 -6.493 11.674 536 HB3 MET 599 3HB MET 599 -9.258 -5.550 13.030 537 HG2 MET 599 2HG MET 599 -8.536 -7.646 13.550 538 HG3 MET 599 3HG MET 599 -9.998 -7.499 14.518 539 HE1 MET 599 3HE MET 599 -8.127 -9.146 11.626 540 HE2 MET 599 1HE MET 599 -9.320 -10.208 10.865 541 HE3 MET 599 2HE MET 599 -9.442 -8.457 10.637 542 H LYS 600 H LYS 600 -10.306 -3.836 14.211 543 HA LYS 600 HA LYS 600 -10.914 -2.102 11.951 544 HB2 LYS 600 2HB LYS 600 -10.344 -1.488 14.925 545 HB3 LYS 600 3HB LYS 600 -9.832 -0.324 13.729 546 HG2 LYS 600 2HG LYS 600 -11.928 0.232 14.874 547 HG3 LYS 600 3HG LYS 600 -11.986 0.256 13.108 548 HD2 LYS 600 2HD LYS 600 -14.038 -0.625 13.951 549 HD3 LYS 600 3HD LYS 600 -13.123 -1.844 13.072 550 HE2 LYS 600 2HE LYS 600 -12.481 -2.938 15.193 551 HE3 LYS 600 3HE LYS 600 -13.015 -1.542 16.115 552 HZ1 LYS 600 3HZ LYS 600 -15.297 -2.060 15.543 553 HZ2 LYS 600 1HZ LYS 600 -14.611 -3.333 16.309 554 HZ3 LYS 600 2HZ LYS 600 -14.872 -3.389 14.699 555 H LEU 601 H LEU 601 -9.325 -0.916 11.230 556 HA LEU 601 HA LEU 601 -6.472 -1.558 11.904 557 HB2 LEU 601 2HB LEU 601 -7.752 -2.047 9.292 558 HB3 LEU 601 3HB LEU 601 -6.437 -0.895 9.166 559 HG LEU 601 HG LEU 601 -4.929 -2.577 10.287 560 HD11 LEU 601 1HD1 LEU 601 -5.729 -4.960 10.199 561 HD12 LEU 601 2HD1 LEU 601 -7.359 -4.357 9.822 562 HD13 LEU 601 3HD1 LEU 601 -6.603 -3.994 11.391 563 HD21 LEU 601 3HD2 LEU 601 -6.324 -3.505 7.730 564 HD22 LEU 601 1HD2 LEU 601 -4.683 -3.931 8.255 565 HD23 LEU 601 2HD2 LEU 601 -5.061 -2.261 7.798 566 H SER 602 H SER 602 -4.966 0.279 11.338 567 HA SER 602 HA SER 602 -6.276 2.849 10.723 568 HB2 SER 602 2HB SER 602 -5.601 3.987 12.696 569 HB3 SER 602 3HB SER 602 -6.510 2.564 13.200 570 HG SER 602 HG SER 602 -4.202 3.273 14.011 571 H ASP 603 H ASP 603 -4.534 4.694 11.001 572 HA ASP 603 HA ASP 603 -2.863 4.409 8.851 573 HB2 ASP 603 2HB ASP 603 -2.015 6.476 9.228 574 HB3 ASP 603 3HB ASP 603 -3.572 6.534 10.035 575 H GLY 604 H GLY 604 -0.809 3.985 8.320 576 HA2 GLY 604 2HA GLY 604 1.398 3.143 8.642 577 HA3 GLY 604 3HA GLY 604 0.981 2.753 10.312 578 H SER 605 H SER 605 -1.622 1.462 9.063 579 HA SER 605 HA SER 605 -0.503 -1.242 8.597 580 HB2 SER 605 2HB SER 605 -3.326 -0.172 8.766 581 HB3 SER 605 3HB SER 605 -2.890 -1.886 8.564 582 HG SER 605 HG SER 605 -2.058 -0.247 10.749 583 H TYR 606 H TYR 606 -1.410 -2.546 6.735 584 HA TYR 606 HA TYR 606 -1.987 -0.972 4.310 585 HB2 TYR 606 2HB TYR 606 -0.172 -1.776 3.044 586 HB3 TYR 606 3HB TYR 606 0.466 -0.992 4.472 587 HD1 TYR 606 HD1 TYR 606 1.532 -2.292 6.273 588 HD2 TYR 606 HD2 TYR 606 0.234 -4.124 2.599 589 HE1 TYR 606 HE1 TYR 606 3.067 -4.225 6.691 590 HE2 TYR 606 HE2 TYR 606 1.759 -6.045 3.009 591 HH TYR 606 HH TYR 606 3.718 -6.341 5.996 592 H PHE 607 H PHE 607 -2.609 -2.116 2.448 593 HA PHE 607 HA PHE 607 -3.593 -4.872 2.693 594 HB2 PHE 607 2HB PHE 607 -6.006 -4.193 2.779 595 HB3 PHE 607 3HB PHE 607 -5.093 -3.922 4.227 596 HD1 PHE 607 2HD PHE 607 -4.456 -1.235 1.824 597 HD2 PHE 607 1HD PHE 607 -7.212 -2.722 4.789 598 HE1 PHE 607 2HE PHE 607 -5.385 1.031 2.088 599 HE2 PHE 607 1HE PHE 607 -8.175 -0.437 5.000 600 HZ PHE 607 HZ PHE 607 -7.254 1.430 3.680 601 H GLY 608 H GLY 608 -5.520 -5.208 1.014 602 HA2 GLY 608 2HA GLY 608 -6.513 -4.915 -1.015 603 HA3 GLY 608 3HA GLY 608 -5.607 -3.422 -1.253 604 H GLU 609 H GLU 609 -3.383 -5.873 -0.709 605 HA GLU 609 HA GLU 609 -3.210 -7.033 -3.358 606 HB2 GLU 609 2HB GLU 609 -2.125 -4.432 -3.023 607 HB3 GLU 609 3HB GLU 609 -0.744 -5.485 -2.938 608 HG2 GLU 609 2HG GLU 609 -2.834 -5.448 -5.173 609 HG3 GLU 609 3HG GLU 609 -1.272 -4.626 -5.227 610 H ILE 610 H ILE 610 -0.683 -8.000 -3.448 611 HA ILE 610 HA ILE 610 -0.065 -9.141 -0.756 612 HB ILE 610 HB ILE 610 -0.232 -10.676 -3.353 613 HG12 ILE 610 2HG1 ILE 610 -1.490 -11.060 -0.642 614 HG13 ILE 610 3HG1 ILE 610 -2.320 -10.387 -2.043 615 HG21 ILE 610 1HG2 ILE 610 0.703 -12.614 -2.053 616 HG22 ILE 610 2HG2 ILE 610 1.885 -11.354 -2.267 617 HG23 ILE 610 3HG2 ILE 610 1.037 -11.517 -0.702 618 HD11 ILE 610 3HD1 ILE 610 -1.412 -13.237 -1.612 619 HD12 ILE 610 1HD1 ILE 610 -3.045 -12.624 -1.889 620 HD13 ILE 610 2HD1 ILE 610 -1.865 -12.616 -3.219 621 H CYS 611 H CYS 611 1.445 -8.783 -4.079 622 HA CYS 611 HA CYS 611 3.824 -7.668 -2.796 623 HB2 CYS 611 2HB CYS 611 3.945 -10.139 -2.302 624 HB3 CYS 611 3HB CYS 611 3.997 -10.439 -4.045 625 HG CYS 611 HG CYS 611 6.342 -10.753 -3.353 626 H LEU 612 H LEU 612 5.369 -6.891 -4.148 627 HA LEU 612 HA LEU 612 4.897 -6.073 -6.885 628 HB2 LEU 612 2HB LEU 612 7.303 -6.288 -4.984 629 HB3 LEU 612 3HB LEU 612 7.482 -5.636 -6.600 630 HG LEU 612 HG LEU 612 5.243 -4.450 -5.042 631 HD11 LEU 612 1HD1 LEU 612 8.072 -3.829 -4.190 632 HD12 LEU 612 2HD1 LEU 612 6.795 -4.585 -3.202 633 HD13 LEU 612 3HD1 LEU 612 6.596 -2.917 -3.784 634 HD21 LEU 612 3HD2 LEU 612 5.805 -2.522 -6.144 635 HD22 LEU 612 1HD2 LEU 612 6.295 -3.703 -7.344 636 HD23 LEU 612 2HD2 LEU 612 7.536 -2.950 -6.332 637 H LEU 613 H LEU 613 5.619 -9.175 -5.757 638 HA LEU 613 HA LEU 613 6.696 -10.010 -8.409 639 HB2 LEU 613 2HB LEU 613 7.432 -11.173 -5.684 640 HB3 LEU 613 3HB LEU 613 7.950 -11.771 -7.251 641 HG LEU 613 HG LEU 613 8.707 -9.186 -7.501 642 HD11 LEU 613 1HD1 LEU 613 9.180 -9.844 -4.562 643 HD12 LEU 613 2HD1 LEU 613 8.073 -8.603 -5.167 644 HD13 LEU 613 3HD1 LEU 613 9.813 -8.432 -5.440 645 HD21 LEU 613 3HD2 LEU 613 11.007 -9.921 -6.943 646 HD22 LEU 613 1HD2 LEU 613 10.160 -11.147 -7.892 647 HD23 LEU 613 2HD2 LEU 613 10.354 -11.367 -6.137 648 H THR 614 H THR 614 4.022 -10.233 -6.464 649 HA THR 614 HA THR 614 3.164 -12.616 -8.036 650 HB THR 614 HB THR 614 3.407 -13.223 -5.545 651 HG1 THR 614 1HG THR 614 1.356 -14.426 -5.867 652 HG21 THR 614 1HG2 THR 614 1.525 -12.984 -4.168 653 HG22 THR 614 2HG2 THR 614 0.581 -12.150 -5.416 654 HG23 THR 614 3HG2 THR 614 1.975 -11.338 -4.666 655 H ARG 615 H ARG 615 1.162 -12.749 -8.750 656 HA ARG 615 HA ARG 615 -0.473 -10.243 -8.803 657 HB2 ARG 615 2HB ARG 615 -0.488 -10.164 -11.222 658 HB3 ARG 615 3HB ARG 615 1.167 -10.082 -10.627 659 HG2 ARG 615 2HG ARG 615 1.414 -12.548 -11.122 660 HG3 ARG 615 3HG ARG 615 -0.201 -12.530 -11.843 661 HD2 ARG 615 2HD ARG 615 0.533 -10.937 -13.548 662 HD3 ARG 615 3HD ARG 615 2.132 -10.835 -12.800 663 HE ARG 615 HE ARG 615 2.511 -13.192 -13.319 664 HH11 ARG 615 1HH1 ARG 615 -0.189 -11.859 -15.224 665 HH12 ARG 615 2HH1 ARG 615 -0.274 -13.380 -16.109 666 HH21 ARG 615 1HH2 ARG 615 2.338 -14.941 -14.698 667 HH22 ARG 615 2HH2 ARG 615 1.038 -14.899 -15.882 668 H GLY 616 H GLY 616 -2.598 -10.499 -8.931 669 HA2 GLY 616 2HA GLY 616 -4.032 -12.585 -10.217 670 HA3 GLY 616 3HA GLY 616 -3.865 -13.021 -8.522 671 H ARG 617 H ARG 617 -6.352 -12.639 -9.593 672 HA ARG 617 HA ARG 617 -7.595 -10.087 -9.006 673 HB2 ARG 617 2HB ARG 617 -8.572 -12.975 -9.002 674 HB3 ARG 617 3HB ARG 617 -9.643 -11.625 -8.643 675 HG2 ARG 617 2HG ARG 617 -8.065 -11.829 -11.215 676 HG3 ARG 617 3HG ARG 617 -9.648 -12.565 -11.039 677 HD2 ARG 617 2HD ARG 617 -9.301 -9.626 -10.385 678 HD3 ARG 617 3HD ARG 617 -9.393 -10.157 -12.057 679 HE ARG 617 HE ARG 617 -11.537 -10.887 -10.077 680 HH11 ARG 617 1HH1 ARG 617 -10.713 -9.541 -13.255 681 HH12 ARG 617 2HH1 ARG 617 -12.359 -9.541 -13.737 682 HH21 ARG 617 1HH2 ARG 617 -13.653 -10.753 -10.845 683 HH22 ARG 617 2HH2 ARG 617 -13.979 -9.885 -12.327 684 H ARG 618 H ARG 618 -7.584 -9.077 -7.097 685 HA ARG 618 HA ARG 618 -7.168 -10.657 -4.604 686 HB2 ARG 618 2HB ARG 618 -6.917 -7.682 -5.114 687 HB3 ARG 618 3HB ARG 618 -6.624 -8.459 -3.567 688 HG2 ARG 618 2HG ARG 618 -4.997 -9.135 -6.051 689 HG3 ARG 618 3HG ARG 618 -4.601 -7.819 -4.970 690 HD2 ARG 618 2HD ARG 618 -3.228 -9.655 -4.343 691 HD3 ARG 618 3HD ARG 618 -4.419 -9.409 -3.068 692 HE ARG 618 HE ARG 618 -5.499 -11.432 -3.628 693 HH11 ARG 618 1HH1 ARG 618 -2.618 -11.094 -5.708 694 HH12 ARG 618 2HH1 ARG 618 -2.722 -12.782 -6.117 695 HH21 ARG 618 1HH2 ARG 618 -5.509 -13.460 -4.291 696 HH22 ARG 618 2HH2 ARG 618 -4.429 -14.024 -5.545 697 H THR 619 H THR 619 -8.689 -11.018 -3.187 698 HA THR 619 HA THR 619 -11.278 -9.496 -3.384 699 HB THR 619 HB THR 619 -11.004 -12.373 -2.496 700 HG1 THR 619 1HG THR 619 -11.952 -11.586 -5.036 701 HG21 THR 619 1HG2 THR 619 -13.417 -12.450 -3.081 702 HG22 THR 619 2HG2 THR 619 -13.375 -10.714 -3.467 703 HG23 THR 619 3HG2 THR 619 -13.090 -11.272 -1.804 704 H ALA 620 H ALA 620 -11.916 -8.463 -1.606 705 HA ALA 620 HA ALA 620 -11.074 -9.240 1.121 706 HB1 ALA 620 1HB ALA 620 -10.128 -6.957 1.490 707 HB2 ALA 620 2HB ALA 620 -9.222 -7.872 0.280 708 HB3 ALA 620 3HB ALA 620 -10.359 -6.609 -0.236 709 H SER 621 H SER 621 -11.986 -7.424 2.699 710 HA SER 621 HA SER 621 -14.599 -6.293 1.861 711 HB2 SER 621 2HB SER 621 -15.082 -8.647 2.420 712 HB3 SER 621 3HB SER 621 -14.319 -8.449 3.999 713 HG SER 621 HG SER 621 -16.542 -8.221 4.171 714 H VAL 622 H VAL 622 -13.841 -4.197 2.439 715 HA VAL 622 HA VAL 622 -13.833 -3.661 5.321 716 HB VAL 622 HB VAL 622 -11.576 -4.250 5.162 717 HG11 VAL 622 1HG1 VAL 622 -11.292 -2.480 2.730 718 HG12 VAL 622 2HG1 VAL 622 -9.942 -3.217 3.633 719 HG13 VAL 622 3HG1 VAL 622 -11.113 -4.248 2.822 720 HG21 VAL 622 3HG2 VAL 622 -10.357 -2.313 5.798 721 HG22 VAL 622 1HG2 VAL 622 -11.531 -1.230 5.013 722 HG23 VAL 622 2HG2 VAL 622 -11.997 -2.201 6.440 723 H ARG 623 H ARG 623 -14.319 -1.594 5.957 724 HA ARG 623 HA ARG 623 -14.687 0.516 3.896 725 HB2 ARG 623 2HB ARG 623 -16.892 1.015 4.560 726 HB3 ARG 623 3HB ARG 623 -16.847 -0.730 4.345 727 HG2 ARG 623 2HG ARG 623 -16.430 -0.833 6.915 728 HG3 ARG 623 3HG ARG 623 -16.943 0.855 6.928 729 HD2 ARG 623 2HD ARG 623 -18.568 -1.548 5.987 730 HD3 ARG 623 3HD ARG 623 -18.791 -0.619 7.475 731 HE ARG 623 HE ARG 623 -18.994 1.077 5.125 732 HH11 ARG 623 1HH1 ARG 623 -20.969 -1.183 6.958 733 HH12 ARG 623 2HH1 ARG 623 -22.443 -0.382 6.433 734 HH21 ARG 623 1HH2 ARG 623 -20.832 1.899 4.423 735 HH22 ARG 623 2HH2 ARG 623 -22.370 1.266 4.973 736 H ALA 624 H ALA 624 -14.955 2.706 4.826 737 HA ALA 624 HA ALA 624 -12.859 3.093 6.799 738 HB1 ALA 624 1HB ALA 624 -14.702 5.155 5.571 739 HB2 ALA 624 2HB ALA 624 -13.107 5.418 6.313 740 HB3 ALA 624 3HB ALA 624 -13.234 4.528 4.792 741 H ASP 625 H ASP 625 -12.947 3.719 8.946 742 HA ASP 625 HA ASP 625 -15.443 3.420 10.472 743 HB2 ASP 625 2HB ASP 625 -13.066 2.789 11.256 744 HB3 ASP 625 3HB ASP 625 -12.694 4.444 11.265 745 H THR 626 H THR 626 -13.824 5.852 8.851 746 HA THR 626 HA THR 626 -15.085 8.250 9.995 747 HB THR 626 HB THR 626 -13.555 7.565 11.772 748 HG1 THR 626 1HG THR 626 -13.718 9.688 11.564 749 HG21 THR 626 1HG2 THR 626 -11.946 6.210 10.571 750 HG22 THR 626 2HG2 THR 626 -11.130 7.487 11.474 751 HG23 THR 626 3HG2 THR 626 -11.328 7.633 9.709 752 H TYR 627 H TYR 627 -13.446 10.215 9.122 753 HA TYR 627 HA TYR 627 -12.999 9.828 6.238 754 HB2 TYR 627 2HB TYR 627 -13.564 12.020 6.669 755 HB3 TYR 627 3HB TYR 627 -12.686 12.075 8.180 756 HD1 TYR 627 HD1 TYR 627 -10.315 12.506 8.310 757 HD2 TYR 627 HD2 TYR 627 -12.350 12.524 4.477 758 HE1 TYR 627 HE1 TYR 627 -8.468 13.856 7.329 759 HE2 TYR 627 HE2 TYR 627 -10.500 13.910 3.540 760 HH TYR 627 HH TYR 627 -8.865 15.335 4.159 761 H CYS 628 H CYS 628 -11.243 8.997 5.360 762 HA CYS 628 HA CYS 628 -8.754 8.664 6.966 763 HB2 CYS 628 2HB CYS 628 -10.326 6.658 7.149 764 HB3 CYS 628 3HB CYS 628 -10.082 6.410 5.406 765 HG CYS 628 HG CYS 628 -8.641 4.711 6.750 766 H ARG 629 H ARG 629 -7.015 9.205 5.880 767 HA ARG 629 HA ARG 629 -7.028 9.385 2.908 768 HB2 ARG 629 2HB ARG 629 -4.808 10.182 4.827 769 HB3 ARG 629 3HB ARG 629 -4.866 10.416 3.086 770 HG2 ARG 629 2HG ARG 629 -7.203 11.702 3.949 771 HG3 ARG 629 3HG ARG 629 -6.042 11.998 5.257 772 HD2 ARG 629 2HD ARG 629 -4.389 12.626 3.338 773 HD3 ARG 629 3HD ARG 629 -5.806 12.693 2.300 774 HE ARG 629 HE ARG 629 -6.478 14.255 4.531 775 HH11 ARG 629 1HH1 ARG 629 -4.114 14.617 1.900 776 HH12 ARG 629 2HH1 ARG 629 -4.312 16.346 1.940 777 HH21 ARG 629 1HH2 ARG 629 -6.406 16.431 4.623 778 HH22 ARG 629 2HH2 ARG 629 -5.856 17.291 3.197 779 H LEU 630 H LEU 630 -6.106 8.060 1.661 780 HA LEU 630 HA LEU 630 -4.334 5.881 2.723 781 HB2 LEU 630 2HB LEU 630 -6.243 5.685 0.368 782 HB3 LEU 630 3HB LEU 630 -5.181 4.420 0.974 783 HG LEU 630 HG LEU 630 -7.650 5.546 2.356 784 HD11 LEU 630 1HD1 LEU 630 -7.000 2.754 1.276 785 HD12 LEU 630 2HD1 LEU 630 -8.031 3.965 0.490 786 HD13 LEU 630 3HD1 LEU 630 -8.532 3.285 2.033 787 HD21 LEU 630 3HD2 LEU 630 -7.289 3.771 4.068 788 HD22 LEU 630 1HD2 LEU 630 -6.037 5.003 4.103 789 HD23 LEU 630 2HD2 LEU 630 -5.699 3.427 3.344 790 H TYR 631 H TYR 631 -2.745 5.142 1.311 791 HA TYR 631 HA TYR 631 -2.068 6.807 -1.082 792 HB2 TYR 631 2HB TYR 631 -0.127 6.801 -0.019 793 HB3 TYR 631 3HB TYR 631 -0.377 5.369 0.903 794 HD1 TYR 631 HD1 TYR 631 -0.592 3.073 -0.855 795 HD2 TYR 631 HD2 TYR 631 1.923 6.545 -1.042 796 HE1 TYR 631 HE1 TYR 631 1.075 1.771 -2.092 797 HE2 TYR 631 HE2 TYR 631 3.672 5.195 -2.221 798 HH TYR 631 HH TYR 631 3.150 1.754 -2.994 799 H SER 632 H SER 632 -2.062 5.726 -3.103 800 HA SER 632 HA SER 632 -2.336 2.851 -3.113 801 HB2 SER 632 2HB SER 632 -4.397 2.704 -4.394 802 HB3 SER 632 3HB SER 632 -4.659 3.374 -2.782 803 HG SER 632 HG SER 632 -5.761 4.435 -4.579 804 H LEU 633 H LEU 633 -0.643 2.522 -4.364 805 HA LEU 633 HA LEU 633 -0.224 4.262 -6.771 806 HB2 LEU 633 2HB LEU 633 1.216 4.358 -4.475 807 HB3 LEU 633 3HB LEU 633 2.054 3.028 -5.250 808 HG LEU 633 HG LEU 633 1.951 5.947 -5.889 809 HD11 LEU 633 1HD1 LEU 633 4.373 5.676 -6.112 810 HD12 LEU 633 2HD1 LEU 633 4.210 3.907 -6.033 811 HD13 LEU 633 3HD1 LEU 633 3.829 4.893 -4.620 812 HD21 LEU 633 3HD2 LEU 633 1.370 5.074 -8.110 813 HD22 LEU 633 1HD2 LEU 633 2.710 3.899 -8.008 814 HD23 LEU 633 2HD2 LEU 633 3.033 5.640 -8.099 815 H SER 634 H SER 634 0.349 3.284 -8.652 816 HA SER 634 HA SER 634 -0.059 0.579 -9.251 817 HB2 SER 634 2HB SER 634 0.055 1.972 -11.089 818 HB3 SER 634 3HB SER 634 1.494 2.806 -10.516 819 HG SER 634 HG SER 634 1.261 0.522 -12.038 820 H VAL 635 H VAL 635 1.002 -1.279 -8.917 821 HA VAL 635 HA VAL 635 3.335 -1.402 -7.136 822 HB VAL 635 HB VAL 635 1.491 -3.204 -7.399 823 HG11 VAL 635 1HG1 VAL 635 2.250 -5.074 -8.826 824 HG12 VAL 635 2HG1 VAL 635 1.815 -3.679 -9.860 825 HG13 VAL 635 3HG1 VAL 635 3.541 -4.079 -9.483 826 HG21 VAL 635 3HG2 VAL 635 3.677 -3.283 -6.141 827 HG22 VAL 635 1HG2 VAL 635 3.155 -4.858 -6.778 828 HG23 VAL 635 2HG2 VAL 635 4.391 -3.911 -7.688 829 H ASP 636 H ASP 636 2.832 -1.654 -10.614 830 HA ASP 636 HA ASP 636 5.449 -2.390 -11.039 831 HB2 ASP 636 2HB ASP 636 3.749 -0.751 -13.028 832 HB3 ASP 636 3HB ASP 636 5.044 -1.869 -13.447 833 H ASN 637 H ASN 637 4.018 0.803 -10.589 834 HA ASN 637 HA ASN 637 6.184 2.460 -11.498 835 HB2 ASN 637 2HB ASN 637 3.625 2.818 -10.027 836 HB3 ASN 637 3HB ASN 637 4.856 3.983 -9.620 837 HD21 ASN 637 HD21 ASN 637 3.276 2.501 -12.504 838 HD22 ASN 637 HD22 ASN 637 3.549 3.924 -13.511 839 H PHE 638 H PHE 638 5.918 0.564 -8.634 840 HA PHE 638 HA PHE 638 8.133 1.818 -7.115 841 HB2 PHE 638 2HB PHE 638 6.062 0.859 -6.160 842 HB3 PHE 638 3HB PHE 638 6.535 -0.693 -6.775 843 HD1 PHE 638 1HD PHE 638 9.412 -0.992 -5.903 844 HD2 PHE 638 2HD PHE 638 5.928 0.602 -3.926 845 HE1 PHE 638 1HE PHE 638 10.403 -1.545 -3.720 846 HE2 PHE 638 2HE PHE 638 6.952 0.069 -1.723 847 HZ PHE 638 HZ PHE 638 9.199 -0.978 -1.615 848 H ASN 639 H ASN 639 7.409 -1.189 -9.019 849 HA ASN 639 HA ASN 639 10.104 -2.194 -9.118 850 HB2 ASN 639 2HB ASN 639 7.662 -2.574 -10.900 851 HB3 ASN 639 3HB ASN 639 9.189 -3.359 -11.236 852 HD21 ASN 639 HD21 ASN 639 6.371 -4.401 -10.225 853 HD22 ASN 639 HD22 ASN 639 6.878 -5.450 -8.931 854 H GLU 640 H GLU 640 8.621 0.420 -10.930 855 HA GLU 640 HA GLU 640 10.626 0.760 -12.957 856 HB2 GLU 640 2HB GLU 640 8.380 2.368 -11.726 857 HB3 GLU 640 3HB GLU 640 9.539 3.235 -12.690 858 HG2 GLU 640 2HG GLU 640 7.902 0.849 -13.642 859 HG3 GLU 640 3HG GLU 640 7.567 2.541 -14.002 860 H VAL 641 H VAL 641 10.428 1.966 -9.646 861 HA VAL 641 HA VAL 641 12.664 3.875 -10.064 862 HB VAL 641 HB VAL 641 10.865 4.771 -8.972 863 HG11 VAL 641 1HG1 VAL 641 9.932 4.053 -6.825 864 HG12 VAL 641 2HG1 VAL 641 9.598 2.944 -8.161 865 HG13 VAL 641 3HG1 VAL 641 10.839 2.538 -6.945 866 HG21 VAL 641 3HG2 VAL 641 11.781 5.673 -6.985 867 HG22 VAL 641 1HG2 VAL 641 12.640 4.194 -6.592 868 HG23 VAL 641 2HG2 VAL 641 13.204 5.215 -7.967 869 H LEU 642 H LEU 642 12.060 0.777 -8.637 870 HA LEU 642 HA LEU 642 14.547 0.338 -7.329 871 HB2 LEU 642 2HB LEU 642 12.607 -1.423 -8.875 872 HB3 LEU 642 3HB LEU 642 14.128 -2.096 -8.324 873 HG LEU 642 HG LEU 642 12.042 -0.826 -6.490 874 HD11 LEU 642 1HD1 LEU 642 11.670 -3.148 -5.716 875 HD12 LEU 642 2HD1 LEU 642 12.816 -3.749 -6.933 876 HD13 LEU 642 3HD1 LEU 642 11.289 -2.994 -7.433 877 HD21 LEU 642 3HD2 LEU 642 14.635 -2.318 -5.965 878 HD22 LEU 642 1HD2 LEU 642 13.442 -1.915 -4.710 879 HD23 LEU 642 2HD2 LEU 642 14.305 -0.633 -5.551 880 H GLU 643 H GLU 643 13.911 0.314 -10.785 881 HA GLU 643 HA GLU 643 16.313 -0.725 -11.820 882 HB2 GLU 643 2HB GLU 643 14.565 1.566 -12.777 883 HB3 GLU 643 3HB GLU 643 15.826 0.854 -13.768 884 HG2 GLU 643 2HG GLU 643 13.803 -1.042 -12.651 885 HG3 GLU 643 3HG GLU 643 13.177 0.143 -13.762 886 H GLU 644 H GLU 644 15.863 2.449 -10.300 887 HA GLU 644 HA GLU 644 18.256 3.666 -11.418 888 HB2 GLU 644 2HB GLU 644 16.280 4.363 -9.264 889 HB3 GLU 644 3HB GLU 644 17.619 5.410 -9.689 890 HG2 GLU 644 2HG GLU 644 15.751 4.440 -11.876 891 HG3 GLU 644 3HG GLU 644 15.192 5.588 -10.727 892 H TYR 645 H TYR 645 17.643 1.604 -8.751 893 HA TYR 645 HA TYR 645 20.278 2.165 -7.475 894 HB2 TYR 645 2HB TYR 645 17.693 1.774 -5.935 895 HB3 TYR 645 3HB TYR 645 19.282 2.145 -5.281 896 HD1 TYR 645 HD2 TYR 645 16.349 3.433 -7.084 897 HD2 TYR 645 HD1 TYR 645 20.128 4.477 -5.310 898 HE1 TYR 645 HE2 TYR 645 15.768 5.839 -7.307 899 HE2 TYR 645 HE1 TYR 645 19.527 6.904 -5.479 900 HH TYR 645 HH TYR 645 16.566 7.925 -7.237 901 HA PRO 646 HA PRO 646 19.210 -2.199 -8.809 902 HB2 PRO 646 2HB PRO 646 21.886 -2.991 -9.344 903 HB3 PRO 646 3HB PRO 646 20.660 -2.415 -10.499 904 HG2 PRO 646 2HG PRO 646 22.826 -0.850 -9.115 905 HG3 PRO 646 3HG PRO 646 22.267 -0.719 -10.814 906 HD2 PRO 646 2HD PRO 646 21.454 1.091 -9.003 907 HD3 PRO 646 3HD PRO 646 20.278 0.420 -10.165 908 H MET 647 H MET 647 21.510 -1.262 -6.230 909 HA MET 647 HA MET 647 21.822 -3.894 -5.156 910 HB2 MET 647 2HB MET 647 22.408 -2.820 -3.058 911 HB3 MET 647 3HB MET 647 23.285 -2.154 -4.449 912 HG2 MET 647 2HG MET 647 21.920 -0.236 -4.518 913 HG3 MET 647 3HG MET 647 20.722 -0.914 -3.476 914 HE1 MET 647 3HE MET 647 21.079 0.766 -0.483 915 HE2 MET 647 1HE MET 647 20.327 0.744 -2.118 916 HE3 MET 647 2HE MET 647 20.477 -0.763 -1.201 917 H MET 648 H MET 648 19.147 -1.628 -5.048 918 HA MET 648 HA MET 648 17.687 -3.023 -2.917 919 HB2 MET 648 2HB MET 648 16.923 -0.755 -4.807 920 HB3 MET 648 3HB MET 648 15.843 -1.444 -3.606 921 HG2 MET 648 2HG MET 648 18.421 0.040 -3.085 922 HG3 MET 648 3HG MET 648 16.783 0.597 -2.781 923 HE1 MET 648 3HE MET 648 15.107 -1.002 -1.073 924 HE2 MET 648 1HE MET 648 15.817 -2.573 -1.522 925 HE3 MET 648 2HE MET 648 15.813 -2.059 0.171 926 H ARG 649 H ARG 649 17.691 -2.960 -6.501 927 HA ARG 649 HA ARG 649 15.279 -4.472 -6.895 928 HB2 ARG 649 2HB ARG 649 16.217 -3.476 -8.829 929 HB3 ARG 649 3HB ARG 649 17.824 -4.109 -8.503 930 HG2 ARG 649 2HG ARG 649 16.728 -5.218 -10.407 931 HG3 ARG 649 3HG ARG 649 17.223 -6.336 -9.163 932 HD2 ARG 649 2HD ARG 649 15.145 -7.095 -8.951 933 HD3 ARG 649 3HD ARG 649 14.476 -5.457 -8.804 934 HE ARG 649 HE ARG 649 14.146 -5.287 -11.114 935 HH11 ARG 649 1HH1 ARG 649 15.563 -8.487 -10.475 936 HH12 ARG 649 2HH1 ARG 649 14.913 -9.091 -11.990 937 HH21 ARG 649 1HH2 ARG 649 13.822 -6.074 -13.132 938 HH22 ARG 649 2HH2 ARG 649 14.301 -7.713 -13.512 939 H ARG 650 H ARG 650 18.652 -5.661 -6.697 940 HA ARG 650 HA ARG 650 17.865 -8.397 -6.624 941 HB2 ARG 650 2HB ARG 650 20.085 -8.928 -5.861 942 HB3 ARG 650 3HB ARG 650 20.122 -7.744 -7.181 943 HG2 ARG 650 2HG ARG 650 20.553 -5.953 -5.449 944 HG3 ARG 650 3HG ARG 650 20.621 -7.227 -4.217 945 HD2 ARG 650 2HD ARG 650 22.863 -6.843 -4.778 946 HD3 ARG 650 3HD ARG 650 22.447 -8.327 -5.617 947 HE ARG 650 HE ARG 650 22.254 -7.046 -7.720 948 HH11 ARG 650 1HH1 ARG 650 24.014 -5.279 -5.163 949 HH12 ARG 650 2HH1 ARG 650 24.753 -4.273 -6.408 950 HH21 ARG 650 1HH2 ARG 650 23.204 -5.669 -9.051 951 HH22 ARG 650 2HH2 ARG 650 24.315 -4.424 -8.422 952 H ALA 651 H ALA 651 18.326 -6.128 -3.972 953 HA ALA 651 HA ALA 651 18.121 -7.838 -1.793 954 HB1 ALA 651 1HB ALA 651 16.983 -5.018 -2.031 955 HB2 ALA 651 2HB ALA 651 17.398 -5.839 -0.530 956 HB3 ALA 651 3HB ALA 651 18.685 -5.408 -1.657 957 H PHE 652 H PHE 652 15.475 -6.890 -3.925 958 HA PHE 652 HA PHE 652 13.402 -8.014 -2.137 959 HB2 PHE 652 2HB PHE 652 13.479 -6.489 -4.735 960 HB3 PHE 652 3HB PHE 652 12.045 -7.439 -4.356 961 HD1 PHE 652 2HD PHE 652 10.899 -7.036 -2.063 962 HD2 PHE 652 1HD PHE 652 13.633 -4.309 -3.933 963 HE1 PHE 652 2HE PHE 652 9.926 -5.167 -0.733 964 HE2 PHE 652 1HE PHE 652 12.692 -2.426 -2.571 965 HZ PHE 652 HZ PHE 652 10.810 -2.857 -1.003 966 H GLU 653 H GLU 653 14.839 -8.835 -5.378 967 HA GLU 653 HA GLU 653 13.134 -11.155 -5.607 968 HB2 GLU 653 2HB GLU 653 14.480 -11.798 -7.533 969 HB3 GLU 653 3HB GLU 653 13.801 -10.165 -7.572 970 HG2 GLU 653 2HG GLU 653 15.850 -9.172 -6.988 971 HG3 GLU 653 3HG GLU 653 16.679 -10.736 -6.813 972 H THR 654 H THR 654 16.054 -10.664 -3.948 973 HA THR 654 HA THR 654 16.850 -13.476 -3.747 974 HB THR 654 HB THR 654 18.444 -11.596 -3.633 975 HG1 THR 654 1HG THR 654 18.562 -13.089 -1.242 976 HG21 THR 654 1HG2 THR 654 17.617 -11.262 -0.727 977 HG22 THR 654 2HG2 THR 654 17.012 -10.210 -2.002 978 HG23 THR 654 3HG2 THR 654 18.759 -10.293 -1.686 979 H VAL 655 H VAL 655 15.116 -11.198 -1.673 980 HA VAL 655 HA VAL 655 14.888 -12.963 0.588 981 HB VAL 655 HB VAL 655 15.024 -10.574 0.831 982 HG11 VAL 655 1HG1 VAL 655 12.321 -10.338 -0.471 983 HG12 VAL 655 2HG1 VAL 655 13.243 -9.049 0.339 984 HG13 VAL 655 3HG1 VAL 655 13.924 -9.832 -1.089 985 HG21 VAL 655 3HG2 VAL 655 13.334 -10.233 2.526 986 HG22 VAL 655 1HG2 VAL 655 12.323 -11.524 1.852 987 HG23 VAL 655 2HG2 VAL 655 13.890 -11.913 2.601 988 H ALA 656 H ALA 656 12.742 -12.111 -2.084 989 HA ALA 656 HA ALA 656 10.380 -13.302 -1.153 990 HB1 ALA 656 1HB ALA 656 10.569 -11.786 -3.098 991 HB2 ALA 656 2HB ALA 656 11.404 -13.056 -4.022 992 HB3 ALA 656 3HB ALA 656 9.708 -13.272 -3.534 993 H ILE 657 H ILE 657 13.224 -15.023 -1.954 994 HA ILE 657 HA ILE 657 11.702 -17.577 -1.764 995 HB ILE 657 HB ILE 657 12.756 -17.435 -3.925 996 HG12 ILE 657 2HG1 ILE 657 14.080 -19.488 -3.961 997 HG13 ILE 657 3HG1 ILE 657 14.267 -19.450 -2.211 998 HG21 ILE 657 1HG2 ILE 657 14.624 -15.914 -3.471 999 HG22 ILE 657 2HG2 ILE 657 15.413 -17.165 -2.471 1000 HG23 ILE 657 3HG2 ILE 657 15.199 -17.401 -4.217 1001 HD11 ILE 657 3HD1 ILE 657 12.534 -21.059 -2.999 1002 HD12 ILE 657 1HD1 ILE 657 11.851 -19.836 -1.920 1003 HD13 ILE 657 2HD1 ILE 657 11.600 -19.711 -3.679 1004 H ASP 658 H ASP 658 14.515 -15.749 -0.483 1005 HA ASP 658 HA ASP 658 15.420 -17.735 1.357 1006 HB2 ASP 658 2HB ASP 658 16.642 -15.692 0.625 1007 HB3 ASP 658 3HB ASP 658 15.506 -14.703 1.546 1008 H ARG 659 H ARG 659 12.822 -15.376 1.617 1009 HA ARG 659 HA ARG 659 12.174 -15.925 4.449 1010 HB2 ARG 659 2HB ARG 659 12.237 -13.676 3.317 1011 HB3 ARG 659 3HB ARG 659 10.847 -14.180 2.348 1012 HG2 ARG 659 2HG ARG 659 9.473 -14.327 4.384 1013 HG3 ARG 659 3HG ARG 659 10.872 -13.868 5.382 1014 HD2 ARG 659 2HD ARG 659 11.034 -11.710 4.280 1015 HD3 ARG 659 3HD ARG 659 9.868 -12.197 3.045 1016 HE ARG 659 HE ARG 659 8.184 -12.388 4.988 1017 HH11 ARG 659 1HH1 ARG 659 10.751 -9.921 5.356 1018 HH12 ARG 659 2HH1 ARG 659 9.614 -8.913 6.223 1019 HH21 ARG 659 1HH2 ARG 659 6.919 -10.911 5.966 1020 HH22 ARG 659 2HH2 ARG 659 7.606 -9.408 6.503 1021 H LEU 660 H LEU 660 11.287 -17.186 1.417 1022 HA LEU 660 HA LEU 660 8.591 -18.062 2.124 1023 HB2 LEU 660 2HB LEU 660 9.222 -17.339 -0.114 1024 HB3 LEU 660 3HB LEU 660 10.355 -18.673 -0.281 1025 HG LEU 660 HG LEU 660 7.466 -19.323 0.331 1026 HD11 LEU 660 1HD1 LEU 660 7.275 -17.653 -1.449 1027 HD12 LEU 660 2HD1 LEU 660 6.932 -19.263 -2.090 1028 HD13 LEU 660 3HD1 LEU 660 8.507 -18.500 -2.415 1029 HD21 LEU 660 3HD2 LEU 660 9.185 -21.154 0.094 1030 HD22 LEU 660 1HD2 LEU 660 9.506 -20.602 -1.558 1031 HD23 LEU 660 2HD2 LEU 660 7.911 -21.248 -1.122 1032 H ASP 661 H ASP 661 11.800 -19.710 1.876 1033 HA ASP 661 HA ASP 661 10.842 -21.579 3.905 1034 HB2 ASP 661 2HB ASP 661 10.347 -22.606 1.550 1035 HB3 ASP 661 3HB ASP 661 12.104 -22.826 1.471 1036 H ARG 662 H ARG 662 12.420 -22.453 5.134 1037 HA ARG 662 HA ARG 662 15.064 -21.140 5.085 1038 HB2 ARG 662 2HB ARG 662 13.588 -23.010 6.937 1039 HB3 ARG 662 3HB ARG 662 15.247 -22.468 7.273 1040 HG2 ARG 662 2HG ARG 662 14.539 -20.140 7.430 1041 HG3 ARG 662 3HG ARG 662 12.896 -20.565 6.910 1042 HD2 ARG 662 2HD ARG 662 12.693 -22.066 8.883 1043 HD3 ARG 662 3HD ARG 662 14.263 -21.487 9.474 1044 HE ARG 662 HE ARG 662 12.729 -19.182 9.099 1045 HH11 ARG 662 1HH1 ARG 662 12.357 -22.083 11.082 1046 HH12 ARG 662 2HH1 ARG 662 11.397 -21.244 12.269 1047 HH21 ARG 662 1HH2 ARG 662 11.333 -18.244 10.549 1048 HH22 ARG 662 2HH2 ARG 662 10.849 -19.107 11.971 1049 H ILE 663 H ILE 663 13.852 -24.221 4.108 1050 HA ILE 663 HA ILE 663 14.702 -26.001 3.064 1051 HB ILE 663 HB ILE 663 17.089 -24.214 2.599 1052 HG12 ILE 663 2HG1 ILE 663 15.066 -23.044 1.882 1053 HG13 ILE 663 3HG1 ILE 663 16.128 -23.455 0.563 1054 HG21 ILE 663 1HG2 ILE 663 16.183 -26.691 1.145 1055 HG22 ILE 663 2HG2 ILE 663 17.313 -25.523 0.446 1056 HG23 ILE 663 3HG2 ILE 663 17.751 -26.382 1.922 1057 HD11 ILE 663 3HD1 ILE 663 13.761 -23.814 -0.012 1058 HD12 ILE 663 1HD1 ILE 663 14.689 -25.320 -0.095 1059 HD13 ILE 663 2HD1 ILE 663 13.621 -25.012 1.296 1060 H GLY 664 H GLY 664 16.892 -24.806 5.481 1061 HA2 GLY 664 2HA GLY 664 18.262 -26.237 6.955 1062 HA3 GLY 664 3HA GLY 664 18.435 -27.378 5.618 1063 H LYS 665 H LYS 665 18.575 -23.840 5.171 1064 HA LYS 665 HA LYS 665 21.529 -23.882 4.814 1065 HB2 LYS 665 2HB LYS 665 21.443 -23.066 2.607 1066 HB3 LYS 665 3HB LYS 665 20.254 -24.355 2.639 1067 HG2 LYS 665 2HG LYS 665 18.525 -22.464 3.142 1068 HG3 LYS 665 3HG LYS 665 19.782 -21.350 2.608 1069 HD2 LYS 665 2HD LYS 665 18.647 -23.651 0.961 1070 HD3 LYS 665 3HD LYS 665 18.126 -21.962 0.862 1071 HE2 LYS 665 2HE LYS 665 20.444 -21.339 0.169 1072 HE3 LYS 665 3HE LYS 665 20.890 -23.052 0.163 1073 HZ1 LYS 665 3HZ LYS 665 18.629 -21.964 -1.426 1074 HZ2 LYS 665 1HZ LYS 665 19.296 -23.459 -1.560 1075 HZ3 LYS 665 2HZ LYS 665 20.134 -22.125 -2.044 1076 H LYS 666 H LYS 666 22.391 -21.605 4.499 1077 HA LYS 666 HA LYS 666 20.702 -19.374 5.218 1078 HB2 LYS 666 2HB LYS 666 21.240 -20.344 7.495 1079 HB3 LYS 666 3HB LYS 666 22.928 -19.919 7.215 1080 HG2 LYS 666 2HG LYS 666 22.218 -17.515 6.904 1081 HG3 LYS 666 3HG LYS 666 20.546 -18.004 7.193 1082 HD2 LYS 666 2HD LYS 666 21.404 -17.048 9.212 1083 HD3 LYS 666 3HD LYS 666 21.204 -18.785 9.491 1084 HE2 LYS 666 2HE LYS 666 23.616 -19.156 9.180 1085 HE3 LYS 666 3HE LYS 666 23.835 -17.472 8.679 1086 HZ1 LYS 666 3HZ LYS 666 24.483 -17.715 10.949 1087 HZ2 LYS 666 1HZ LYS 666 23.023 -18.338 11.401 1088 HZ3 LYS 666 2HZ LYS 666 23.178 -16.764 10.878 1089 H ASN 667 H ASN 667 21.222 -18.277 3.538 1090 HA ASN 667 HA ASN 667 23.937 -17.881 2.461 1091 HB2 ASN 667 2HB ASN 667 22.119 -18.374 0.959 1092 HB3 ASN 667 3HB ASN 667 21.099 -17.134 1.682 1093 HD21 ASN 667 HD21 ASN 667 24.313 -17.303 -0.035 1094 HD22 ASN 667 HD22 ASN 667 23.818 -16.018 -1.142 1095 H SER 668 H SER 668 21.627 -16.150 4.475 1096 HA SER 668 HA SER 668 22.531 -13.503 4.134 1097 HB2 SER 668 2HB SER 668 21.576 -14.609 6.775 1098 HB3 SER 668 3HB SER 668 21.455 -12.947 6.157 1099 HG SER 668 HG SER 668 19.521 -14.276 6.131 1100 H ILE 669 H ILE 669 23.460 -12.138 5.818 1101 HA ILE 669 HA ILE 669 26.175 -12.768 5.885 1102 HB ILE 669 HB ILE 669 26.530 -10.532 6.666 1103 HG12 ILE 669 2HG1 ILE 669 23.577 -10.440 7.431 1104 HG13 ILE 669 3HG1 ILE 669 24.952 -10.427 8.540 1105 HG21 ILE 669 1HG2 ILE 669 24.047 -10.544 4.898 1106 HG22 ILE 669 2HG2 ILE 669 25.353 -9.334 4.913 1107 HG23 ILE 669 3HG2 ILE 669 25.677 -10.968 4.330 1108 HD11 ILE 669 3HD1 ILE 669 24.114 -8.193 8.355 1109 HD12 ILE 669 1HD1 ILE 669 25.701 -8.253 7.563 1110 HD13 ILE 669 2HD1 ILE 669 24.208 -8.219 6.590 1111 H LEU 670 H LEU 670 27.728 -12.812 7.428 1112 HA LEU 670 HA LEU 670 26.918 -13.520 10.217 1113 HB2 LEU 670 2HB LEU 670 29.041 -14.792 10.370 1114 HB3 LEU 670 3HB LEU 670 27.851 -15.437 9.257 1115 HG LEU 670 HG LEU 670 29.113 -14.632 7.320 1116 HD11 LEU 670 1HD1 LEU 670 31.443 -13.789 7.604 1117 HD12 LEU 670 2HD1 LEU 670 31.136 -13.582 9.346 1118 HD13 LEU 670 3HD1 LEU 670 30.233 -12.632 8.137 1119 HD21 LEU 670 3HD2 LEU 670 30.851 -16.141 9.315 1120 HD22 LEU 670 1HD2 LEU 670 31.034 -16.135 7.542 1121 HD23 LEU 670 2HD2 LEU 670 29.594 -16.851 8.278 1122 H LEU 671 H LEU 671 27.713 -10.918 8.741 1123 HA LEU 671 HA LEU 671 29.847 -9.872 10.453 1124 HB2 LEU 671 2HB LEU 671 29.445 -9.312 7.993 1125 HB3 LEU 671 3HB LEU 671 28.048 -8.385 8.498 1126 HG LEU 671 HG LEU 671 29.968 -6.980 8.032 1127 HD11 LEU 671 1HD1 LEU 671 29.588 -6.897 11.037 1128 HD12 LEU 671 2HD1 LEU 671 28.397 -6.276 9.864 1129 HD13 LEU 671 3HD1 LEU 671 30.021 -5.577 9.951 1130 HD21 LEU 671 3HD2 LEU 671 31.758 -8.609 8.607 1131 HD22 LEU 671 1HD2 LEU 671 31.446 -8.316 10.334 1132 HD23 LEU 671 2HD2 LEU 671 32.018 -7.000 9.297 1133 H HIS 672 H HIS 672 29.413 -9.429 12.484 1134 HA HIS 672 HA HIS 672 28.473 -8.850 14.427 1135 HB2 HIS 672 2HB HIS 672 28.689 -6.672 13.172 1136 HB3 HIS 672 3HB HIS 672 26.953 -6.738 12.894 1137 HD1 HIS 672 1HD HIS 672 25.467 -5.947 14.944 1138 HD2 HIS 672 2HD HIS 672 29.566 -6.438 15.747 1139 HE1 HIS 672 1HE HIS 672 25.874 -4.933 17.261 Start of MODEL 18 1 H ASN 534 H ASN 534 3.438 13.825 1.837 2 HA ASN 534 HA ASN 534 3.526 13.881 4.834 3 HB2 ASN 534 2HB ASN 534 1.184 13.171 2.999 4 HB3 ASN 534 3HB ASN 534 1.191 13.022 4.753 5 HD21 ASN 534 HD21 ASN 534 0.903 15.246 2.069 6 HD22 ASN 534 HD22 ASN 534 0.513 16.646 3.076 7 H CYS 535 H CYS 535 3.421 11.879 1.863 8 HA CYS 535 HA CYS 535 2.930 9.451 3.242 9 HB2 CYS 535 2HB CYS 535 3.984 9.984 0.437 10 HB3 CYS 535 3HB CYS 535 3.447 8.400 1.032 11 HG CYS 535 HG CYS 535 1.786 11.239 0.763 12 H ARG 536 H ARG 536 5.990 11.009 3.092 13 HA ARG 536 HA ARG 536 7.684 8.798 2.499 14 HB2 ARG 536 2HB ARG 536 8.321 11.280 2.493 15 HB3 ARG 536 3HB ARG 536 8.466 11.159 4.253 16 HG2 ARG 536 2HG ARG 536 10.078 9.185 3.825 17 HG3 ARG 536 3HG ARG 536 10.067 9.675 2.128 18 HD2 ARG 536 2HD ARG 536 10.877 11.937 2.802 19 HD3 ARG 536 3HD ARG 536 10.915 11.418 4.493 20 HE ARG 536 HE ARG 536 12.862 10.837 2.420 21 HH11 ARG 536 1HH1 ARG 536 11.641 9.403 5.454 22 HH12 ARG 536 2HH1 ARG 536 13.075 8.379 5.533 23 HH21 ARG 536 1HH2 ARG 536 14.688 9.748 2.934 24 HH22 ARG 536 2HH2 ARG 536 14.596 8.469 4.167 25 H LYS 537 H LYS 537 6.773 10.067 5.727 26 HA LYS 537 HA LYS 537 8.119 8.187 7.327 27 HB2 LYS 537 2HB LYS 537 6.972 10.277 8.075 28 HB3 LYS 537 3HB LYS 537 5.413 9.520 7.795 29 HG2 LYS 537 2HG LYS 537 5.920 9.557 10.144 30 HG3 LYS 537 3HG LYS 537 5.868 7.888 9.601 31 HD2 LYS 537 2HD LYS 537 8.312 7.734 9.671 32 HD3 LYS 537 3HD LYS 537 8.450 9.482 9.918 33 HE2 LYS 537 2HE LYS 537 8.827 8.409 12.032 34 HE3 LYS 537 3HE LYS 537 7.290 9.281 12.102 35 HZ1 LYS 537 3HZ LYS 537 6.145 7.134 11.758 36 HZ2 LYS 537 1HZ LYS 537 7.099 7.063 13.078 37 HZ3 LYS 537 2HZ LYS 537 7.600 6.355 11.705 38 H LEU 538 H LEU 538 5.398 7.498 5.283 39 HA LEU 538 HA LEU 538 4.540 5.193 6.984 40 HB2 LEU 538 2HB LEU 538 3.136 6.467 4.610 41 HB3 LEU 538 3HB LEU 538 2.597 5.058 5.502 42 HG LEU 538 HG LEU 538 1.260 6.649 6.394 43 HD11 LEU 538 1HD1 LEU 538 3.594 7.034 8.306 44 HD12 LEU 538 2HD1 LEU 538 2.550 5.598 8.278 45 HD13 LEU 538 3HD1 LEU 538 1.866 7.182 8.649 46 HD21 LEU 538 3HD2 LEU 538 3.503 8.698 6.430 47 HD22 LEU 538 1HD2 LEU 538 1.821 8.957 6.910 48 HD23 LEU 538 2HD2 LEU 538 2.199 8.580 5.227 49 H VAL 539 H VAL 539 5.683 5.994 3.680 50 HA VAL 539 HA VAL 539 6.120 3.220 2.938 51 HB VAL 539 HB VAL 539 6.393 5.766 1.707 52 HG11 VAL 539 1HG1 VAL 539 9.003 4.233 1.562 53 HG12 VAL 539 2HG1 VAL 539 8.540 5.568 0.507 54 HG13 VAL 539 3HG1 VAL 539 8.718 5.860 2.270 55 HG21 VAL 539 3HG2 VAL 539 5.314 3.852 0.717 56 HG22 VAL 539 1HG2 VAL 539 6.630 4.396 -0.340 57 HG23 VAL 539 2HG2 VAL 539 6.846 2.957 0.685 58 H ALA 540 H ALA 540 8.154 5.614 4.656 59 HA ALA 540 HA ALA 540 10.369 3.846 5.085 60 HB1 ALA 540 1HB ALA 540 9.467 6.223 6.747 61 HB2 ALA 540 2HB ALA 540 11.101 5.557 6.632 62 HB3 ALA 540 3HB ALA 540 10.396 6.372 5.220 63 H SER 541 H SER 541 7.252 3.500 6.398 64 HA SER 541 HA SER 541 8.209 2.444 8.971 65 HB2 SER 541 2HB SER 541 5.538 3.106 7.850 66 HB3 SER 541 3HB SER 541 5.721 2.157 9.295 67 HG SER 541 HG SER 541 6.456 4.849 8.814 68 H MET 542 H MET 542 7.597 1.379 5.816 69 HA MET 542 HA MET 542 6.061 -0.978 6.336 70 HB2 MET 542 2HB MET 542 6.115 0.774 4.382 71 HB3 MET 542 3HB MET 542 7.416 -0.223 3.737 72 HG2 MET 542 2HG MET 542 4.599 -1.132 4.417 73 HG3 MET 542 3HG MET 542 5.170 -0.679 2.811 74 HE1 MET 542 3HE MET 542 4.752 -4.355 2.050 75 HE2 MET 542 1HE MET 542 3.754 -2.974 2.568 76 HE3 MET 542 2HE MET 542 4.944 -2.768 1.267 77 HA PRO 543 HA PRO 543 9.633 -3.531 7.156 78 HB2 PRO 543 2HB PRO 543 8.582 -6.083 6.888 79 HB3 PRO 543 3HB PRO 543 8.303 -4.999 8.282 80 HG2 PRO 543 2HG PRO 543 6.527 -5.399 5.853 81 HG3 PRO 543 3HG PRO 543 6.057 -5.416 7.585 82 HD2 PRO 543 2HD PRO 543 5.711 -3.198 6.109 83 HD3 PRO 543 3HD PRO 543 6.329 -3.059 7.768 84 H LEU 544 H LEU 544 8.076 -3.729 4.045 85 HA LEU 544 HA LEU 544 10.137 -5.308 2.714 86 HB2 LEU 544 2HB LEU 544 7.798 -5.192 2.060 87 HB3 LEU 544 3HB LEU 544 7.912 -3.484 1.707 88 HG LEU 544 HG LEU 544 9.768 -5.286 0.196 89 HD11 LEU 544 1HD1 LEU 544 6.786 -4.908 -0.285 90 HD12 LEU 544 2HD1 LEU 544 7.585 -6.428 0.157 91 HD13 LEU 544 3HD1 LEU 544 7.924 -5.701 -1.417 92 HD21 LEU 544 3HD2 LEU 544 9.771 -2.776 -0.161 93 HD22 LEU 544 1HD2 LEU 544 8.047 -2.858 -0.561 94 HD23 LEU 544 2HD2 LEU 544 9.229 -3.653 -1.601 95 H PHE 545 H PHE 545 9.881 -2.025 3.719 96 HA PHE 545 HA PHE 545 12.116 -1.050 2.019 97 HB2 PHE 545 2HB PHE 545 9.944 0.413 3.572 98 HB3 PHE 545 3HB PHE 545 11.273 1.200 2.769 99 HD1 PHE 545 2HD PHE 545 8.438 -1.166 1.870 100 HD2 PHE 545 1HD PHE 545 10.879 2.197 0.753 101 HE1 PHE 545 2HE PHE 545 6.908 -0.680 -0.013 102 HE2 PHE 545 1HE PHE 545 9.368 2.662 -1.158 103 HZ PHE 545 HZ PHE 545 7.348 1.260 -1.504 104 H ALA 546 H ALA 546 12.281 -2.746 4.598 105 HA ALA 546 HA ALA 546 12.684 -1.209 6.960 106 HB1 ALA 546 1HB ALA 546 12.251 -3.631 6.866 107 HB2 ALA 546 2HB ALA 546 13.792 -3.874 5.986 108 HB3 ALA 546 3HB ALA 546 13.807 -3.322 7.674 109 H ASN 547 H ASN 547 14.751 -2.325 4.427 110 HA ASN 547 HA ASN 547 17.267 -1.317 5.639 111 HB2 ASN 547 2HB ASN 547 16.348 -3.712 3.993 112 HB3 ASN 547 3HB ASN 547 17.987 -3.229 3.909 113 HD21 ASN 547 HD21 ASN 547 15.688 -4.930 5.772 114 HD22 ASN 547 HD22 ASN 547 16.826 -5.424 7.001 115 H ALA 548 H ALA 548 15.149 -0.015 3.767 116 HA ALA 548 HA ALA 548 16.418 0.332 1.218 117 HB1 ALA 548 1HB ALA 548 14.160 1.950 2.473 118 HB2 ALA 548 2HB ALA 548 14.541 1.778 0.758 119 HB3 ALA 548 3HB ALA 548 13.941 0.373 1.662 120 H ASP 549 H ASP 549 17.592 1.976 0.330 121 HA ASP 549 HA ASP 549 18.913 3.926 1.982 122 HB2 ASP 549 2HB ASP 549 19.700 2.881 -0.249 123 HB3 ASP 549 3HB ASP 549 18.672 4.050 -1.046 124 HA PRO 550 HA PRO 550 15.576 6.799 2.290 125 HB2 PRO 550 2HB PRO 550 16.926 9.212 2.671 126 HB3 PRO 550 3HB PRO 550 16.813 7.928 3.911 127 HG2 PRO 550 2HG PRO 550 19.013 8.335 1.855 128 HG3 PRO 550 3HG PRO 550 19.181 8.226 3.654 129 HD2 PRO 550 2HD PRO 550 19.567 6.040 2.226 130 HD3 PRO 550 3HD PRO 550 18.457 5.919 3.621 131 H ASN 551 H ASN 551 17.695 7.030 -0.364 132 HA ASN 551 HA ASN 551 16.223 9.283 -1.682 133 HB2 ASN 551 2HB ASN 551 18.798 7.819 -2.360 134 HB3 ASN 551 3HB ASN 551 17.997 8.921 -3.470 135 HD21 ASN 551 HD21 ASN 551 20.394 8.824 -1.209 136 HD22 ASN 551 HD22 ASN 551 20.351 10.501 -0.680 137 H PHE 552 H PHE 552 16.731 5.805 -1.887 138 HA PHE 552 HA PHE 552 15.386 5.337 -4.421 139 HB2 PHE 552 2HB PHE 552 16.849 3.638 -3.584 140 HB3 PHE 552 3HB PHE 552 16.120 3.668 -1.998 141 HD1 PHE 552 2HD PHE 552 14.771 3.126 -5.497 142 HD2 PHE 552 1HD PHE 552 15.059 1.709 -1.442 143 HE1 PHE 552 2HE PHE 552 13.293 1.203 -6.056 144 HE2 PHE 552 1HE PHE 552 13.582 -0.202 -1.999 145 HZ PHE 552 HZ PHE 552 12.689 -0.449 -4.304 146 H VAL 553 H VAL 553 14.363 5.163 -1.016 147 HA VAL 553 HA VAL 553 11.630 4.538 -1.530 148 HB VAL 553 HB VAL 553 11.199 4.990 0.746 149 HG11 VAL 553 1HG1 VAL 553 14.136 4.233 0.707 150 HG12 VAL 553 2HG1 VAL 553 12.862 3.655 1.801 151 HG13 VAL 553 3HG1 VAL 553 12.863 3.136 0.092 152 HG21 VAL 553 3HG2 VAL 553 13.812 6.510 0.898 153 HG22 VAL 553 1HG2 VAL 553 12.187 7.171 1.231 154 HG23 VAL 553 2HG2 VAL 553 12.908 5.936 2.300 155 H THR 554 H THR 554 13.218 7.533 -1.551 156 HA THR 554 HA THR 554 10.861 9.276 -1.387 157 HB THR 554 HB THR 554 13.810 9.879 -1.798 158 HG1 THR 554 1HG THR 554 13.753 9.547 0.242 159 HG21 THR 554 1HG2 THR 554 12.529 11.673 -2.797 160 HG22 THR 554 2HG2 THR 554 13.133 12.218 -1.218 161 HG23 THR 554 3HG2 THR 554 11.428 11.723 -1.396 162 H ALA 555 H ALA 555 13.212 8.211 -3.897 163 HA ALA 555 HA ALA 555 12.332 9.901 -5.949 164 HB1 ALA 555 1HB ALA 555 13.557 7.102 -6.009 165 HB2 ALA 555 2HB ALA 555 13.420 8.160 -7.427 166 HB3 ALA 555 3HB ALA 555 14.418 8.655 -6.046 167 H MET 556 H MET 556 10.668 7.184 -4.625 168 HA MET 556 HA MET 556 8.894 6.738 -6.945 169 HB2 MET 556 2HB MET 556 9.032 5.728 -4.110 170 HB3 MET 556 3HB MET 556 7.502 5.591 -4.997 171 HG2 MET 556 2HG MET 556 8.553 4.458 -6.839 172 HG3 MET 556 3HG MET 556 10.154 4.679 -6.126 173 HE1 MET 556 3HE MET 556 10.460 3.597 -3.333 174 HE2 MET 556 1HE MET 556 10.713 1.899 -3.841 175 HE3 MET 556 2HE MET 556 11.312 3.207 -4.880 176 H LEU 557 H LEU 557 8.920 9.088 -4.331 177 HA LEU 557 HA LEU 557 6.011 9.270 -4.158 178 HB2 LEU 557 2HB LEU 557 8.112 11.101 -2.926 179 HB3 LEU 557 3HB LEU 557 6.446 10.889 -2.403 180 HG LEU 557 HG LEU 557 8.691 8.840 -2.175 181 HD11 LEU 557 1HD1 LEU 557 8.493 9.215 0.217 182 HD12 LEU 557 2HD1 LEU 557 7.195 10.410 -0.043 183 HD13 LEU 557 3HD1 LEU 557 8.847 10.738 -0.612 184 HD21 LEU 557 3HD2 LEU 557 7.124 7.495 -0.838 185 HD22 LEU 557 1HD2 LEU 557 6.537 7.674 -2.492 186 HD23 LEU 557 2HD2 LEU 557 5.814 8.648 -1.186 187 H THR 558 H THR 558 8.347 10.871 -6.175 188 HA THR 558 HA THR 558 7.151 13.470 -6.250 189 HB THR 558 HB THR 558 8.577 13.874 -8.210 190 HG1 THR 558 1HG THR 558 8.697 12.103 -9.330 191 HG21 THR 558 1HG2 THR 558 9.577 13.992 -5.928 192 HG22 THR 558 2HG2 THR 558 10.739 13.523 -7.178 193 HG23 THR 558 3HG2 THR 558 10.081 12.294 -6.077 194 H LYS 559 H LYS 559 5.966 10.639 -7.610 195 HA LYS 559 HA LYS 559 4.213 12.098 -9.557 196 HB2 LYS 559 2HB LYS 559 4.177 10.037 -10.866 197 HB3 LYS 559 3HB LYS 559 5.814 10.635 -10.696 198 HG2 LYS 559 2HG LYS 559 6.537 8.845 -9.487 199 HG3 LYS 559 3HG LYS 559 5.049 8.685 -8.562 200 HD2 LYS 559 2HD LYS 559 5.322 7.831 -11.462 201 HD3 LYS 559 3HD LYS 559 5.530 6.760 -10.060 202 HE2 LYS 559 2HE LYS 559 3.272 7.078 -9.324 203 HE3 LYS 559 3HE LYS 559 2.987 8.371 -10.492 204 HZ1 LYS 559 3HZ LYS 559 2.019 6.395 -11.410 205 HZ2 LYS 559 1HZ LYS 559 3.384 5.506 -11.140 206 HZ3 LYS 559 2HZ LYS 559 3.390 6.652 -12.272 207 H LEU 560 H LEU 560 3.795 11.428 -6.606 208 HA LEU 560 HA LEU 560 2.291 8.960 -6.576 209 HB2 LEU 560 2HB LEU 560 4.020 9.516 -4.938 210 HB3 LEU 560 3HB LEU 560 3.020 10.823 -4.296 211 HG LEU 560 HG LEU 560 1.350 9.197 -3.502 212 HD11 LEU 560 1HD1 LEU 560 1.998 6.706 -3.693 213 HD12 LEU 560 2HD1 LEU 560 3.163 7.260 -4.948 214 HD13 LEU 560 3HD1 LEU 560 1.410 7.421 -5.193 215 HD21 LEU 560 3HD2 LEU 560 3.536 9.549 -2.184 216 HD22 LEU 560 1HD2 LEU 560 4.029 7.949 -2.854 217 HD23 LEU 560 2HD2 LEU 560 2.569 8.100 -1.843 218 H LYS 561 H LYS 561 0.231 8.645 -5.682 219 HA LYS 561 HA LYS 561 -1.570 11.003 -5.512 220 HB2 LYS 561 2HB LYS 561 -1.568 8.814 -7.431 221 HB3 LYS 561 3HB LYS 561 -3.022 8.692 -6.467 222 HG2 LYS 561 2HG LYS 561 -3.865 10.676 -7.112 223 HG3 LYS 561 3HG LYS 561 -2.298 11.455 -7.414 224 HD2 LYS 561 2HD LYS 561 -3.466 9.327 -9.223 225 HD3 LYS 561 3HD LYS 561 -3.580 11.073 -9.503 226 HE2 LYS 561 2HE LYS 561 -1.073 11.244 -9.515 227 HE3 LYS 561 3HE LYS 561 -0.944 9.525 -9.235 228 HZ1 LYS 561 3HZ LYS 561 -0.767 10.018 -11.592 229 HZ2 LYS 561 1HZ LYS 561 -2.245 10.732 -11.636 230 HZ3 LYS 561 2HZ LYS 561 -2.119 9.125 -11.345 231 H PHE 562 H PHE 562 -3.274 10.954 -4.211 232 HA PHE 562 HA PHE 562 -3.723 8.606 -2.520 233 HB2 PHE 562 2HB PHE 562 -3.656 9.820 -0.526 234 HB3 PHE 562 3HB PHE 562 -2.160 10.147 -1.337 235 HD1 PHE 562 2HD PHE 562 -5.432 11.457 -0.276 236 HD2 PHE 562 1HD PHE 562 -1.601 12.439 -1.961 237 HE1 PHE 562 2HE PHE 562 -5.849 13.869 0.207 238 HE2 PHE 562 1HE PHE 562 -1.984 14.851 -1.434 239 HZ PHE 562 HZ PHE 562 -4.103 15.556 -0.336 240 H GLU 563 H GLU 563 -5.735 8.682 -1.377 241 HA GLU 563 HA GLU 563 -7.940 10.227 -2.635 242 HB2 GLU 563 2HB GLU 563 -7.537 8.130 -3.933 243 HB3 GLU 563 3HB GLU 563 -7.814 7.170 -2.486 244 HG2 GLU 563 2HG GLU 563 -10.132 7.712 -2.431 245 HG3 GLU 563 3HG GLU 563 -9.913 9.114 -3.484 246 H VAL 564 H VAL 564 -9.856 10.284 -1.342 247 HA VAL 564 HA VAL 564 -9.459 9.334 1.469 248 HB VAL 564 HB VAL 564 -10.992 11.843 0.728 249 HG11 VAL 564 1HG1 VAL 564 -9.978 10.850 3.412 250 HG12 VAL 564 2HG1 VAL 564 -10.914 12.303 3.045 251 HG13 VAL 564 3HG1 VAL 564 -11.673 10.757 2.867 252 HG21 VAL 564 3HG2 VAL 564 -8.983 12.965 1.869 253 HG22 VAL 564 1HG2 VAL 564 -8.141 11.396 1.680 254 HG23 VAL 564 2HG2 VAL 564 -8.660 12.293 0.242 255 H PHE 565 H PHE 565 -11.021 8.427 2.541 256 HA PHE 565 HA PHE 565 -13.648 7.967 1.182 257 HB2 PHE 565 2HB PHE 565 -12.070 6.102 2.967 258 HB3 PHE 565 3HB PHE 565 -13.766 5.873 2.533 259 HD1 PHE 565 1HD PHE 565 -10.293 5.967 1.179 260 HD2 PHE 565 2HD PHE 565 -14.452 5.273 0.287 261 HE1 PHE 565 1HE PHE 565 -9.668 4.985 -1.026 262 HE2 PHE 565 2HE PHE 565 -13.816 4.292 -1.896 263 HZ PHE 565 HZ PHE 565 -11.426 4.083 -2.514 264 H GLN 566 H GLN 566 -15.446 8.455 2.272 265 HA GLN 566 HA GLN 566 -15.168 10.125 4.722 266 HB2 GLN 566 2HB GLN 566 -17.625 9.367 3.066 267 HB3 GLN 566 3HB GLN 566 -17.542 10.672 4.237 268 HG2 GLN 566 2HG GLN 566 -16.245 10.538 1.488 269 HG3 GLN 566 3HG GLN 566 -17.566 11.582 2.014 270 HE21 GLN 566 HE21 GLN 566 -14.093 11.140 1.993 271 HE22 GLN 566 HE22 GLN 566 -13.745 12.558 2.977 272 HA PRO 567 HA PRO 567 -16.476 7.127 7.625 273 HB2 PRO 567 2HB PRO 567 -18.755 8.768 8.649 274 HB3 PRO 567 3HB PRO 567 -17.318 8.145 9.511 275 HG2 PRO 567 2HG PRO 567 -17.585 10.791 8.818 276 HG3 PRO 567 3HG PRO 567 -16.005 9.965 8.813 277 HD2 PRO 567 2HD PRO 567 -17.812 10.573 6.489 278 HD3 PRO 567 3HD PRO 567 -16.032 10.709 6.607 279 H GLY 568 H GLY 568 -17.419 5.255 7.030 280 HA2 GLY 568 2HA GLY 568 -19.296 3.830 7.184 281 HA3 GLY 568 3HA GLY 568 -20.364 5.139 6.676 282 H ASP 569 H ASP 569 -17.534 5.004 4.699 283 HA ASP 569 HA ASP 569 -19.084 3.723 2.577 284 HB2 ASP 569 2HB ASP 569 -18.101 6.048 2.325 285 HB3 ASP 569 3HB ASP 569 -16.505 5.299 2.314 286 H TYR 570 H TYR 570 -18.371 2.018 1.388 287 HA TYR 570 HA TYR 570 -16.358 0.214 2.551 288 HB2 TYR 570 2HB TYR 570 -17.749 -0.193 -0.101 289 HB3 TYR 570 3HB TYR 570 -17.034 -1.389 0.955 290 HD1 TYR 570 HD1 TYR 570 -18.165 -1.774 3.269 291 HD2 TYR 570 HD2 TYR 570 -20.055 0.266 -0.013 292 HE1 TYR 570 HE1 TYR 570 -20.417 -2.161 4.318 293 HE2 TYR 570 HE2 TYR 570 -22.286 -0.168 0.986 294 HH TYR 570 HH TYR 570 -23.445 -1.208 2.639 295 H ILE 571 H ILE 571 -14.197 0.255 2.028 296 HA ILE 571 HA ILE 571 -13.435 2.440 0.225 297 HB ILE 571 HB ILE 571 -11.262 2.259 1.283 298 HG12 ILE 571 2HG1 ILE 571 -12.241 0.245 3.315 299 HG13 ILE 571 3HG1 ILE 571 -11.705 -0.381 1.766 300 HG21 ILE 571 1HG2 ILE 571 -13.056 3.582 2.404 301 HG22 ILE 571 2HG2 ILE 571 -13.439 2.196 3.415 302 HG23 ILE 571 3HG2 ILE 571 -11.832 2.947 3.531 303 HD11 ILE 571 3HD1 ILE 571 -10.087 1.352 3.635 304 HD12 ILE 571 1HD1 ILE 571 -9.866 -0.377 3.258 305 HD13 ILE 571 2HD1 ILE 571 -9.575 0.851 2.001 306 H ILE 572 H ILE 572 -13.270 -1.006 0.112 307 HA ILE 572 HA ILE 572 -11.505 -1.006 -2.296 308 HB ILE 572 HB ILE 572 -11.382 -2.612 0.284 309 HG12 ILE 572 2HG1 ILE 572 -9.363 -1.036 -1.348 310 HG13 ILE 572 3HG1 ILE 572 -10.125 -0.488 0.110 311 HG21 ILE 572 1HG2 ILE 572 -10.023 -3.359 -2.332 312 HG22 ILE 572 2HG2 ILE 572 -9.704 -4.089 -0.740 313 HG23 ILE 572 3HG2 ILE 572 -11.276 -4.304 -1.468 314 HD11 ILE 572 3HD1 ILE 572 -9.020 -2.270 1.429 315 HD12 ILE 572 1HD1 ILE 572 -8.102 -2.735 -0.019 316 HD13 ILE 572 2HD1 ILE 572 -7.906 -1.121 0.675 317 H ARG 573 H ARG 573 -12.367 -1.985 -3.982 318 HA ARG 573 HA ARG 573 -13.722 -4.556 -3.595 319 HB2 ARG 573 2HB ARG 573 -15.477 -2.777 -3.622 320 HB3 ARG 573 3HB ARG 573 -15.045 -2.398 -5.281 321 HG2 ARG 573 2HG ARG 573 -15.763 -5.244 -4.467 322 HG3 ARG 573 3HG ARG 573 -17.043 -4.046 -4.643 323 HD2 ARG 573 2HD ARG 573 -15.058 -4.700 -6.835 324 HD3 ARG 573 3HD ARG 573 -16.665 -5.428 -6.686 325 HE ARG 573 HE ARG 573 -17.084 -2.658 -6.603 326 HH11 ARG 573 1HH1 ARG 573 -15.787 -4.920 -8.985 327 HH12 ARG 573 2HH1 ARG 573 -16.313 -3.875 -10.302 328 HH21 ARG 573 1HH2 ARG 573 -17.630 -1.428 -8.326 329 HH22 ARG 573 2HH2 ARG 573 -17.367 -2.038 -9.961 330 H GLU 574 H GLU 574 -11.989 -5.559 -4.398 331 HA GLU 574 HA GLU 574 -10.613 -4.652 -6.835 332 HB2 GLU 574 2HB GLU 574 -9.344 -5.315 -4.889 333 HB3 GLU 574 3HB GLU 574 -10.095 -6.899 -4.873 334 HG2 GLU 574 2HG GLU 574 -7.834 -7.066 -5.693 335 HG3 GLU 574 3HG GLU 574 -8.933 -7.488 -6.989 336 H GLY 575 H GLY 575 -10.070 -6.111 -8.575 337 HA2 GLY 575 2HA GLY 575 -11.858 -8.265 -9.396 338 HA3 GLY 575 3HA GLY 575 -12.291 -6.704 -10.088 339 H THR 576 H THR 576 -9.158 -6.061 -10.100 340 HA THR 576 HA THR 576 -8.748 -7.450 -12.711 341 HB THR 576 HB THR 576 -8.990 -5.072 -12.920 342 HG1 THR 576 1HG THR 576 -7.687 -5.182 -14.474 343 HG21 THR 576 1HG2 THR 576 -7.217 -3.526 -12.246 344 HG22 THR 576 2HG2 THR 576 -6.353 -4.835 -11.411 345 HG23 THR 576 3HG2 THR 576 -7.933 -4.282 -10.815 346 H ILE 577 H ILE 577 -6.699 -7.971 -13.395 347 HA ILE 577 HA ILE 577 -5.285 -9.486 -11.315 348 HB ILE 577 HB ILE 577 -5.213 -9.542 -14.347 349 HG12 ILE 577 2HG1 ILE 577 -5.838 -11.946 -13.976 350 HG13 ILE 577 3HG1 ILE 577 -5.984 -11.635 -12.255 351 HG21 ILE 577 1HG2 ILE 577 -3.403 -11.042 -12.409 352 HG22 ILE 577 2HG2 ILE 577 -3.627 -11.485 -14.114 353 HG23 ILE 577 3HG2 ILE 577 -2.917 -9.934 -13.703 354 HD11 ILE 577 3HD1 ILE 577 -8.143 -11.749 -13.455 355 HD12 ILE 577 1HD1 ILE 577 -7.926 -10.192 -12.663 356 HD13 ILE 577 2HD1 ILE 577 -7.678 -10.332 -14.423 357 H GLY 578 H GLY 578 -3.703 -8.528 -10.201 358 HA2 GLY 578 2HA GLY 578 -1.542 -7.809 -9.843 359 HA3 GLY 578 3HA GLY 578 -1.312 -7.630 -11.586 360 H LYS 579 H LYS 579 -3.536 -6.070 -9.197 361 HA LYS 579 HA LYS 579 -3.279 -3.523 -10.476 362 HB2 LYS 579 2HB LYS 579 -5.275 -4.462 -9.239 363 HB3 LYS 579 3HB LYS 579 -4.465 -4.043 -7.733 364 HG2 LYS 579 2HG LYS 579 -4.559 -1.660 -8.301 365 HG3 LYS 579 3HG LYS 579 -5.123 -2.047 -9.940 366 HD2 LYS 579 2HD LYS 579 -7.193 -2.983 -8.982 367 HD3 LYS 579 3HD LYS 579 -6.631 -2.600 -7.349 368 HE2 LYS 579 2HE LYS 579 -6.499 -0.182 -7.968 369 HE3 LYS 579 3HE LYS 579 -7.070 -0.580 -9.600 370 HZ1 LYS 579 3HZ LYS 579 -8.914 0.153 -8.272 371 HZ2 LYS 579 1HZ LYS 579 -8.611 -0.980 -7.099 372 HZ3 LYS 579 2HZ LYS 579 -9.102 -1.439 -8.598 373 H LYS 580 H LYS 580 -2.897 -1.534 -8.876 374 HA LYS 580 HA LYS 580 -0.099 -1.603 -7.907 375 HB2 LYS 580 2HB LYS 580 -2.081 0.707 -8.187 376 HB3 LYS 580 3HB LYS 580 -0.381 0.851 -7.853 377 HG2 LYS 580 2HG LYS 580 -1.804 0.369 -10.422 378 HG3 LYS 580 3HG LYS 580 -0.391 1.351 -10.104 379 HD2 LYS 580 2HD LYS 580 0.960 -0.797 -9.930 380 HD3 LYS 580 3HD LYS 580 -0.455 -1.681 -10.483 381 HE2 LYS 580 2HE LYS 580 1.099 0.344 -12.102 382 HE3 LYS 580 3HE LYS 580 0.998 -1.399 -12.330 383 HZ1 LYS 580 3HZ LYS 580 -0.446 -0.449 -13.875 384 HZ2 LYS 580 1HZ LYS 580 -1.076 0.623 -12.829 385 HZ3 LYS 580 2HZ LYS 580 -1.484 -0.971 -12.696 386 H MET 581 H MET 581 0.408 -0.475 -5.754 387 HA MET 581 HA MET 581 -1.333 -1.942 -3.885 388 HB2 MET 581 2HB MET 581 0.320 -2.163 -2.402 389 HB3 MET 581 3HB MET 581 1.181 -2.251 -3.921 390 HG2 MET 581 2HG MET 581 2.179 -0.117 -3.584 391 HG3 MET 581 3HG MET 581 1.036 0.346 -2.332 392 HE1 MET 581 3HE MET 581 1.517 -0.068 0.415 393 HE2 MET 581 1HE MET 581 0.706 -1.525 -0.185 394 HE3 MET 581 2HE MET 581 2.144 -1.683 0.828 395 H TYR 582 H TYR 582 -2.121 -1.275 -1.906 396 HA TYR 582 HA TYR 582 -2.679 1.653 -1.649 397 HB2 TYR 582 2HB TYR 582 -4.760 0.236 -0.385 398 HB3 TYR 582 3HB TYR 582 -4.833 1.269 -1.745 399 HD1 TYR 582 HD2 TYR 582 -4.104 -0.109 -4.113 400 HD2 TYR 582 HD1 TYR 582 -5.878 -1.726 -0.548 401 HE1 TYR 582 HE2 TYR 582 -5.058 -1.986 -5.445 402 HE2 TYR 582 HE1 TYR 582 -6.898 -3.567 -1.892 403 HH TYR 582 HH TYR 582 -6.377 -4.029 -5.379 404 H PHE 583 H PHE 583 -2.800 2.558 0.362 405 HA PHE 583 HA PHE 583 -2.502 1.051 2.767 406 HB2 PHE 583 2HB PHE 583 -0.374 1.295 3.408 407 HB3 PHE 583 3HB PHE 583 -0.162 1.040 1.721 408 HD1 PHE 583 1HD PHE 583 -0.845 4.641 2.394 409 HD2 PHE 583 2HD PHE 583 2.082 1.481 2.520 410 HE1 PHE 583 1HE PHE 583 0.941 6.309 2.415 411 HE2 PHE 583 2HE PHE 583 3.890 3.173 2.506 412 HZ PHE 583 HZ PHE 583 3.320 5.605 2.363 413 H ILE 584 H ILE 584 -2.075 2.462 4.768 414 HA ILE 584 HA ILE 584 -4.086 4.637 4.491 415 HB ILE 584 HB ILE 584 -3.131 3.235 7.025 416 HG12 ILE 584 2HG1 ILE 584 -5.430 2.458 5.154 417 HG13 ILE 584 3HG1 ILE 584 -3.978 1.521 5.471 418 HG21 ILE 584 1HG2 ILE 584 -4.415 5.458 7.217 419 HG22 ILE 584 2HG2 ILE 584 -5.756 4.719 6.327 420 HG23 ILE 584 3HG2 ILE 584 -5.290 4.099 7.918 421 HD11 ILE 584 3HD1 ILE 584 -6.328 1.950 7.260 422 HD12 ILE 584 1HD1 ILE 584 -5.464 0.453 6.794 423 HD13 ILE 584 2HD1 ILE 584 -4.738 1.586 7.953 424 H GLN 585 H GLN 585 -3.288 6.697 4.237 425 HA GLN 585 HA GLN 585 -0.711 7.450 5.426 426 HB2 GLN 585 2HB GLN 585 -1.199 8.136 3.194 427 HB3 GLN 585 3HB GLN 585 -2.692 8.934 3.671 428 HG2 GLN 585 2HG GLN 585 -0.083 9.850 4.930 429 HG3 GLN 585 3HG GLN 585 -0.417 10.276 3.257 430 HE21 GLN 585 HE21 GLN 585 -0.888 11.445 6.445 431 HE22 GLN 585 HE22 GLN 585 -2.220 12.512 6.033 432 H HIS 586 H HIS 586 -4.154 8.389 6.014 433 HA HIS 586 HA HIS 586 -3.481 8.728 8.833 434 HB2 HIS 586 2HB HIS 586 -2.902 10.970 7.958 435 HB3 HIS 586 3HB HIS 586 -4.575 11.180 7.438 436 HD1 HIS 586 1HD HIS 586 -6.401 11.457 9.532 437 HD2 HIS 586 2HD HIS 586 -2.317 11.125 10.545 438 HE1 HIS 586 1HE HIS 586 -6.207 12.145 11.967 439 H GLY 587 H GLY 587 -5.166 7.615 9.872 440 HA2 GLY 587 2HA GLY 587 -7.548 8.559 10.402 441 HA3 GLY 587 3HA GLY 587 -7.927 7.842 8.845 442 H VAL 588 H VAL 588 -9.385 6.422 9.902 443 HA VAL 588 HA VAL 588 -8.089 4.045 11.067 444 HB VAL 588 HB VAL 588 -10.577 5.331 12.282 445 HG11 VAL 588 1HG1 VAL 588 -10.330 3.655 14.065 446 HG12 VAL 588 2HG1 VAL 588 -10.605 2.881 12.509 447 HG13 VAL 588 3HG1 VAL 588 -8.964 2.920 13.198 448 HG21 VAL 588 3HG2 VAL 588 -7.757 5.159 13.417 449 HG22 VAL 588 1HG2 VAL 588 -8.615 6.643 12.943 450 HG23 VAL 588 2HG2 VAL 588 -9.198 5.697 14.305 451 H VAL 589 H VAL 589 -9.119 2.085 10.522 452 HA VAL 589 HA VAL 589 -11.612 2.198 8.869 453 HB VAL 589 HB VAL 589 -10.741 0.663 7.227 454 HG11 VAL 589 1HG1 VAL 589 -8.820 3.003 7.460 455 HG12 VAL 589 2HG1 VAL 589 -9.280 2.127 5.988 456 HG13 VAL 589 3HG1 VAL 589 -10.484 3.115 6.835 457 HG21 VAL 589 3HG2 VAL 589 -8.286 0.175 7.088 458 HG22 VAL 589 1HG2 VAL 589 -8.088 0.861 8.705 459 HG23 VAL 589 2HG2 VAL 589 -9.084 -0.592 8.456 460 H SER 590 H SER 590 -12.942 0.468 8.938 461 HA SER 590 HA SER 590 -12.322 -1.712 10.920 462 HB2 SER 590 2HB SER 590 -15.020 -1.193 9.663 463 HB3 SER 590 3HB SER 590 -14.600 -2.104 11.127 464 HG SER 590 HG SER 590 -15.573 0.039 11.320 465 H VAL 591 H VAL 591 -11.504 -3.472 10.035 466 HA VAL 591 HA VAL 591 -12.093 -4.438 7.293 467 HB VAL 591 HB VAL 591 -10.454 -5.838 9.428 468 HG11 VAL 591 1HG1 VAL 591 -10.950 -7.188 7.441 469 HG12 VAL 591 2HG1 VAL 591 -10.331 -5.902 6.383 470 HG13 VAL 591 3HG1 VAL 591 -9.241 -6.770 7.481 471 HG21 VAL 591 3HG2 VAL 591 -9.475 -3.628 9.284 472 HG22 VAL 591 1HG2 VAL 591 -8.429 -4.830 8.532 473 HG23 VAL 591 2HG2 VAL 591 -9.399 -3.742 7.504 474 H LEU 592 H LEU 592 -13.321 -6.211 6.877 475 HA LEU 592 HA LEU 592 -14.342 -7.901 9.148 476 HB2 LEU 592 2HB LEU 592 -15.593 -7.139 6.489 477 HB3 LEU 592 3HB LEU 592 -15.965 -8.684 7.209 478 HG LEU 592 HG LEU 592 -17.669 -6.980 7.611 479 HD11 LEU 592 1HD1 LEU 592 -18.015 -7.450 9.990 480 HD12 LEU 592 2HD1 LEU 592 -16.325 -7.977 10.153 481 HD13 LEU 592 3HD1 LEU 592 -17.453 -8.890 9.129 482 HD21 LEU 592 3HD2 LEU 592 -16.177 -4.996 7.900 483 HD22 LEU 592 1HD2 LEU 592 -15.741 -5.612 9.511 484 HD23 LEU 592 2HD2 LEU 592 -17.419 -5.172 9.156 485 H THR 593 H THR 593 -13.757 -10.109 9.086 486 HA THR 593 HA THR 593 -12.293 -10.995 6.629 487 HB THR 593 HB THR 593 -11.413 -12.792 8.395 488 HG1 THR 593 1HG THR 593 -12.078 -10.498 9.864 489 HG21 THR 593 1HG2 THR 593 -10.010 -11.473 6.922 490 HG22 THR 593 2HG2 THR 593 -9.367 -11.505 8.565 491 HG23 THR 593 3HG2 THR 593 -10.205 -10.042 7.965 492 H LYS 594 H LYS 594 -12.963 -12.716 5.546 493 HA LYS 594 HA LYS 594 -15.514 -13.848 6.002 494 HB2 LYS 594 2HB LYS 594 -15.181 -15.212 4.188 495 HB3 LYS 594 3HB LYS 594 -14.212 -13.797 3.825 496 HG2 LYS 594 2HG LYS 594 -13.204 -16.496 4.809 497 HG3 LYS 594 3HG LYS 594 -13.142 -15.904 3.159 498 HD2 LYS 594 2HD LYS 594 -11.595 -14.080 3.873 499 HD3 LYS 594 3HD LYS 594 -11.626 -14.716 5.516 500 HE2 LYS 594 2HE LYS 594 -9.662 -15.597 4.680 501 HE3 LYS 594 3HE LYS 594 -10.795 -16.945 4.522 502 HZ1 LYS 594 3HZ LYS 594 -11.007 -16.388 2.155 503 HZ2 LYS 594 1HZ LYS 594 -9.412 -16.576 2.541 504 HZ3 LYS 594 2HZ LYS 594 -10.037 -15.072 2.348 505 H GLY 595 H GLY 595 -16.307 -15.710 6.889 506 HA2 GLY 595 2HA GLY 595 -16.402 -17.461 8.452 507 HA3 GLY 595 3HA GLY 595 -14.627 -17.408 8.586 508 H ASN 596 H ASN 596 -15.039 -14.349 9.169 509 HA ASN 596 HA ASN 596 -14.639 -15.049 12.041 510 HB2 ASN 596 2HB ASN 596 -12.806 -13.505 10.219 511 HB3 ASN 596 3HB ASN 596 -12.443 -14.079 11.764 512 HD21 ASN 596 HD21 ASN 596 -10.578 -14.599 9.967 513 HD22 ASN 596 HD22 ASN 596 -10.626 -16.301 9.591 514 H LYS 597 H LYS 597 -13.092 -12.429 12.091 515 HA LYS 597 HA LYS 597 -15.356 -11.041 13.317 516 HB2 LYS 597 2HB LYS 597 -12.382 -11.101 13.996 517 HB3 LYS 597 3HB LYS 597 -13.519 -10.038 14.780 518 HG2 LYS 597 2HG LYS 597 -13.196 -11.798 16.254 519 HG3 LYS 597 3HG LYS 597 -14.818 -11.949 15.623 520 HD2 LYS 597 2HD LYS 597 -13.666 -14.113 15.970 521 HD3 LYS 597 3HD LYS 597 -14.227 -13.889 14.327 522 HE2 LYS 597 2HE LYS 597 -12.020 -14.941 14.378 523 HE3 LYS 597 3HE LYS 597 -11.967 -13.387 13.553 524 HZ1 LYS 597 3HZ LYS 597 -11.022 -12.416 15.613 525 HZ2 LYS 597 1HZ LYS 597 -10.099 -13.647 15.079 526 HZ3 LYS 597 2HZ LYS 597 -11.101 -13.855 16.375 527 H GLU 598 H GLU 598 -15.316 -8.850 13.722 528 HA GLU 598 HA GLU 598 -14.278 -7.172 11.564 529 HB2 GLU 598 2HB GLU 598 -15.637 -5.380 12.482 530 HB3 GLU 598 3HB GLU 598 -16.577 -6.844 12.221 531 HG2 GLU 598 2HG GLU 598 -15.936 -7.235 14.826 532 HG3 GLU 598 3HG GLU 598 -15.860 -5.478 14.785 533 H MET 599 H MET 599 -12.604 -5.733 11.744 534 HA MET 599 HA MET 599 -11.029 -5.567 14.287 535 HB2 MET 599 2HB MET 599 -10.072 -6.463 11.555 536 HB3 MET 599 3HB MET 599 -8.996 -6.062 12.896 537 HG2 MET 599 2HG MET 599 -9.904 -7.822 14.251 538 HG3 MET 599 3HG MET 599 -11.103 -8.243 13.024 539 HE1 MET 599 3HE MET 599 -10.428 -9.002 10.546 540 HE2 MET 599 1HE MET 599 -8.990 -7.983 10.292 541 HE3 MET 599 2HE MET 599 -8.862 -9.743 10.138 542 H LYS 600 H LYS 600 -10.247 -3.590 14.708 543 HA LYS 600 HA LYS 600 -10.318 -1.544 12.676 544 HB2 LYS 600 2HB LYS 600 -10.935 -1.581 15.332 545 HB3 LYS 600 3HB LYS 600 -9.276 -1.005 15.431 546 HG2 LYS 600 2HG LYS 600 -10.571 0.938 15.237 547 HG3 LYS 600 3HG LYS 600 -9.881 0.674 13.625 548 HD2 LYS 600 2HD LYS 600 -12.181 1.385 13.399 549 HD3 LYS 600 3HD LYS 600 -12.071 -0.303 12.884 550 HE2 LYS 600 2HE LYS 600 -12.968 -1.070 15.020 551 HE3 LYS 600 3HE LYS 600 -12.904 0.566 15.676 552 HZ1 LYS 600 3HZ LYS 600 -14.614 -0.360 13.434 553 HZ2 LYS 600 1HZ LYS 600 -14.499 1.209 13.890 554 HZ3 LYS 600 2HZ LYS 600 -15.133 0.089 14.921 555 H LEU 601 H LEU 601 -8.783 -0.729 11.545 556 HA LEU 601 HA LEU 601 -5.893 -1.015 12.289 557 HB2 LEU 601 2HB LEU 601 -7.283 -1.404 9.632 558 HB3 LEU 601 3HB LEU 601 -5.664 -0.733 9.668 559 HG LEU 601 HG LEU 601 -4.790 -2.751 10.754 560 HD11 LEU 601 1HD1 LEU 601 -6.219 -4.841 10.699 561 HD12 LEU 601 2HD1 LEU 601 -7.637 -3.787 10.506 562 HD13 LEU 601 3HD1 LEU 601 -6.653 -3.699 11.962 563 HD21 LEU 601 3HD2 LEU 601 -4.830 -2.500 8.296 564 HD22 LEU 601 1HD2 LEU 601 -6.417 -3.297 8.240 565 HD23 LEU 601 2HD2 LEU 601 -4.979 -4.190 8.784 566 H SER 602 H SER 602 -4.547 0.770 11.559 567 HA SER 602 HA SER 602 -5.868 3.312 10.830 568 HB2 SER 602 2HB SER 602 -6.061 3.213 13.238 569 HB3 SER 602 3HB SER 602 -4.334 2.914 13.417 570 HG SER 602 HG SER 602 -5.587 5.251 12.331 571 H ASP 603 H ASP 603 -3.911 5.048 11.143 572 HA ASP 603 HA ASP 603 -2.701 4.621 8.639 573 HB2 ASP 603 2HB ASP 603 -1.792 6.752 8.738 574 HB3 ASP 603 3HB ASP 603 -3.386 6.764 9.487 575 H GLY 604 H GLY 604 -0.659 4.510 7.823 576 HA2 GLY 604 2HA GLY 604 1.530 3.632 7.761 577 HA3 GLY 604 3HA GLY 604 1.427 3.287 9.494 578 H SER 605 H SER 605 -1.335 1.925 8.879 579 HA SER 605 HA SER 605 -0.344 -0.745 8.228 580 HB2 SER 605 2HB SER 605 -3.188 0.262 8.205 581 HB3 SER 605 3HB SER 605 -2.665 -1.430 8.251 582 HG SER 605 HG SER 605 -2.397 0.569 10.238 583 H TYR 606 H TYR 606 -1.033 -1.960 6.359 584 HA TYR 606 HA TYR 606 -1.779 -0.464 3.927 585 HB2 TYR 606 2HB TYR 606 0.060 -1.214 2.628 586 HB3 TYR 606 3HB TYR 606 0.732 -0.451 4.064 587 HD1 TYR 606 HD2 TYR 606 1.574 -1.853 5.947 588 HD2 TYR 606 HD1 TYR 606 0.605 -3.450 2.076 589 HE1 TYR 606 HE2 TYR 606 2.970 -3.895 6.433 590 HE2 TYR 606 HE1 TYR 606 2.026 -5.424 2.505 591 HH TYR 606 HH TYR 606 3.498 -6.446 3.968 592 H PHE 607 H PHE 607 -2.726 -1.714 2.241 593 HA PHE 607 HA PHE 607 -3.419 -4.508 2.987 594 HB2 PHE 607 2HB PHE 607 -5.826 -4.009 3.253 595 HB3 PHE 607 3HB PHE 607 -4.793 -3.398 4.514 596 HD1 PHE 607 2HD PHE 607 -4.626 -1.147 1.644 597 HD2 PHE 607 1HD PHE 607 -7.043 -2.313 5.028 598 HE1 PHE 607 2HE PHE 607 -5.709 1.051 1.628 599 HE2 PHE 607 1HE PHE 607 -8.184 -0.102 4.935 600 HZ PHE 607 HZ PHE 607 -7.461 1.597 3.314 601 H GLY 608 H GLY 608 -5.313 -5.322 1.711 602 HA2 GLY 608 2HA GLY 608 -5.770 -6.297 -0.358 603 HA3 GLY 608 3HA GLY 608 -4.925 -4.989 -1.203 604 H GLU 609 H GLU 609 -4.691 -8.188 -0.565 605 HA GLU 609 HA GLU 609 -2.049 -8.527 0.371 606 HB2 GLU 609 2HB GLU 609 -3.670 -10.563 -1.187 607 HB3 GLU 609 3HB GLU 609 -2.316 -10.869 -0.114 608 HG2 GLU 609 2HG GLU 609 -4.029 -11.445 1.250 609 HG3 GLU 609 3HG GLU 609 -3.786 -9.773 1.745 610 H ILE 610 H ILE 610 -1.953 -6.779 -1.961 611 HA ILE 610 HA ILE 610 -0.897 -8.210 -4.258 612 HB ILE 610 HB ILE 610 -1.020 -5.251 -3.579 613 HG12 ILE 610 2HG1 ILE 610 -2.723 -7.019 -5.329 614 HG13 ILE 610 3HG1 ILE 610 -3.221 -6.311 -3.792 615 HG21 ILE 610 1HG2 ILE 610 -0.452 -6.498 -6.300 616 HG22 ILE 610 2HG2 ILE 610 -0.473 -4.776 -5.889 617 HG23 ILE 610 3HG2 ILE 610 0.812 -5.788 -5.265 618 HD11 ILE 610 3HD1 ILE 610 -2.712 -4.846 -6.395 619 HD12 ILE 610 1HD1 ILE 610 -4.239 -5.038 -5.523 620 HD13 ILE 610 2HD1 ILE 610 -2.950 -4.027 -4.836 621 H CYS 611 H CYS 611 0.970 -9.187 -4.143 622 HA CYS 611 HA CYS 611 3.303 -8.127 -2.698 623 HB2 CYS 611 2HB CYS 611 2.769 -10.496 -2.566 624 HB3 CYS 611 3HB CYS 611 2.840 -10.657 -4.324 625 HG CYS 611 HG CYS 611 4.912 -11.773 -3.118 626 H LEU 612 H LEU 612 5.246 -7.456 -3.625 627 HA LEU 612 HA LEU 612 5.105 -6.160 -6.206 628 HB2 LEU 612 2HB LEU 612 7.049 -6.383 -3.968 629 HB3 LEU 612 3HB LEU 612 7.777 -6.078 -5.535 630 HG LEU 612 HG LEU 612 5.386 -4.424 -4.668 631 HD11 LEU 612 1HD1 LEU 612 8.281 -3.921 -3.888 632 HD12 LEU 612 2HD1 LEU 612 6.895 -4.199 -2.802 633 HD13 LEU 612 3HD1 LEU 612 6.967 -2.728 -3.772 634 HD21 LEU 612 3HD2 LEU 612 6.339 -2.767 -6.160 635 HD22 LEU 612 1HD2 LEU 612 6.344 -4.331 -7.022 636 HD23 LEU 612 2HD2 LEU 612 7.839 -3.687 -6.324 637 H LEU 613 H LEU 613 5.408 -9.388 -5.707 638 HA LEU 613 HA LEU 613 6.146 -9.651 -8.560 639 HB2 LEU 613 2HB LEU 613 7.313 -11.736 -8.180 640 HB3 LEU 613 3HB LEU 613 8.086 -10.318 -7.486 641 HG LEU 613 HG LEU 613 7.364 -11.005 -5.215 642 HD11 LEU 613 1HD1 LEU 613 6.367 -13.521 -6.613 643 HD12 LEU 613 2HD1 LEU 613 5.373 -12.365 -5.702 644 HD13 LEU 613 3HD1 LEU 613 6.569 -13.344 -4.860 645 HD21 LEU 613 3HD2 LEU 613 9.568 -11.662 -6.088 646 HD22 LEU 613 1HD2 LEU 613 8.869 -13.150 -6.764 647 HD23 LEU 613 2HD2 LEU 613 8.919 -12.900 -5.003 648 H THR 614 H THR 614 3.638 -9.599 -6.939 649 HA THR 614 HA THR 614 2.385 -12.071 -6.725 650 HB THR 614 HB THR 614 1.627 -9.801 -5.876 651 HG1 THR 614 1HG THR 614 0.528 -11.698 -5.516 652 HG21 THR 614 1HG2 THR 614 1.311 -8.648 -8.076 653 HG22 THR 614 2HG2 THR 614 -0.127 -8.636 -7.039 654 HG23 THR 614 3HG2 THR 614 -0.048 -9.743 -8.413 655 H ARG 615 H ARG 615 0.383 -12.843 -7.686 656 HA ARG 615 HA ARG 615 0.018 -12.452 -10.591 657 HB2 ARG 615 2HB ARG 615 0.174 -15.190 -9.248 658 HB3 ARG 615 3HB ARG 615 -0.439 -14.877 -10.876 659 HG2 ARG 615 2HG ARG 615 1.738 -13.978 -11.559 660 HG3 ARG 615 3HG ARG 615 2.404 -14.307 -9.958 661 HD2 ARG 615 2HD ARG 615 3.099 -16.061 -11.467 662 HD3 ARG 615 3HD ARG 615 1.975 -16.727 -10.285 663 HE ARG 615 HE ARG 615 0.500 -17.244 -11.979 664 HH11 ARG 615 1HH1 ARG 615 2.751 -14.895 -13.388 665 HH12 ARG 615 2HH1 ARG 615 2.206 -15.260 -14.997 666 HH21 ARG 615 1HH2 ARG 615 -0.164 -17.557 -14.014 667 HH22 ARG 615 2HH2 ARG 615 0.505 -16.612 -15.340 668 H GLY 616 H GLY 616 -2.060 -12.615 -11.290 669 HA2 GLY 616 2HA GLY 616 -4.349 -12.936 -11.262 670 HA3 GLY 616 3HA GLY 616 -4.222 -13.674 -9.676 671 H ARG 617 H ARG 617 -6.397 -12.447 -9.841 672 HA ARG 617 HA ARG 617 -6.239 -9.672 -8.712 673 HB2 ARG 617 2HB ARG 617 -8.595 -9.565 -8.925 674 HB3 ARG 617 3HB ARG 617 -7.931 -10.169 -10.435 675 HG2 ARG 617 2HG ARG 617 -8.554 -12.511 -9.713 676 HG3 ARG 617 3HG ARG 617 -9.333 -11.817 -8.277 677 HD2 ARG 617 2HD ARG 617 -10.817 -10.479 -9.731 678 HD3 ARG 617 3HD ARG 617 -10.017 -11.132 -11.161 679 HE ARG 617 HE ARG 617 -10.808 -13.387 -10.516 680 HH11 ARG 617 1HH1 ARG 617 -12.610 -10.764 -8.993 681 HH12 ARG 617 2HH1 ARG 617 -14.103 -11.648 -9.064 682 HH21 ARG 617 1HH2 ARG 617 -12.699 -14.487 -10.357 683 HH22 ARG 617 2HH2 ARG 617 -14.184 -13.641 -9.924 684 H ARG 618 H ARG 618 -7.782 -9.344 -6.814 685 HA ARG 618 HA ARG 618 -7.871 -11.562 -4.865 686 HB2 ARG 618 2HB ARG 618 -6.658 -8.811 -4.376 687 HB3 ARG 618 3HB ARG 618 -7.277 -9.764 -3.038 688 HG2 ARG 618 2HG ARG 618 -5.201 -10.918 -4.918 689 HG3 ARG 618 3HG ARG 618 -4.755 -9.856 -3.599 690 HD2 ARG 618 2HD ARG 618 -4.488 -12.198 -2.963 691 HD3 ARG 618 3HD ARG 618 -5.632 -11.348 -1.939 692 HE ARG 618 HE ARG 618 -6.319 -13.398 -4.016 693 HH11 ARG 618 1HH1 ARG 618 -7.323 -11.797 -0.981 694 HH12 ARG 618 2HH1 ARG 618 -8.854 -12.662 -1.060 695 HH21 ARG 618 1HH2 ARG 618 -8.196 -14.460 -3.818 696 HH22 ARG 618 2HH2 ARG 618 -9.252 -14.141 -2.434 697 H THR 619 H THR 619 -9.259 -10.875 -2.909 698 HA THR 619 HA THR 619 -11.098 -8.693 -3.424 699 HB THR 619 HB THR 619 -12.316 -10.496 -4.527 700 HG1 THR 619 1HG THR 619 -13.698 -9.130 -3.723 701 HG21 THR 619 1HG2 THR 619 -12.465 -11.860 -1.809 702 HG22 THR 619 2HG2 THR 619 -11.510 -12.440 -3.200 703 HG23 THR 619 3HG2 THR 619 -13.264 -12.359 -3.315 704 H ALA 620 H ALA 620 -12.091 -7.918 -1.571 705 HA ALA 620 HA ALA 620 -11.476 -9.025 1.080 706 HB1 ALA 620 1HB ALA 620 -10.280 -6.979 1.799 707 HB2 ALA 620 2HB ALA 620 -9.411 -7.782 0.483 708 HB3 ALA 620 3HB ALA 620 -10.381 -6.328 0.147 709 H SER 621 H SER 621 -12.388 -7.648 2.797 710 HA SER 621 HA SER 621 -14.850 -6.127 2.039 711 HB2 SER 621 2HB SER 621 -15.914 -7.346 4.022 712 HB3 SER 621 3HB SER 621 -15.724 -8.231 2.502 713 HG SER 621 HG SER 621 -13.949 -8.425 4.719 714 H VAL 622 H VAL 622 -13.948 -4.112 2.598 715 HA VAL 622 HA VAL 622 -13.625 -3.649 5.502 716 HB VAL 622 HB VAL 622 -11.447 -4.357 4.962 717 HG11 VAL 622 1HG1 VAL 622 -9.985 -3.308 3.308 718 HG12 VAL 622 2HG1 VAL 622 -11.343 -4.149 2.561 719 HG13 VAL 622 3HG1 VAL 622 -11.369 -2.378 2.683 720 HG21 VAL 622 3HG2 VAL 622 -10.072 -2.451 5.522 721 HG22 VAL 622 1HG2 VAL 622 -11.381 -1.331 5.092 722 HG23 VAL 622 2HG2 VAL 622 -11.569 -2.471 6.459 723 H ARG 623 H ARG 623 -14.070 -1.656 6.234 724 HA ARG 623 HA ARG 623 -14.860 0.478 4.299 725 HB2 ARG 623 2HB ARG 623 -17.010 0.701 5.434 726 HB3 ARG 623 3HB ARG 623 -16.778 -0.925 4.809 727 HG2 ARG 623 2HG ARG 623 -15.822 -1.351 7.297 728 HG3 ARG 623 3HG ARG 623 -16.786 0.059 7.667 729 HD2 ARG 623 2HD ARG 623 -17.962 -2.021 8.115 730 HD3 ARG 623 3HD ARG 623 -18.807 -1.070 6.880 731 HE ARG 623 HE ARG 623 -17.226 -2.857 5.437 732 HH11 ARG 623 1HH1 ARG 623 -19.662 -3.452 7.953 733 HH12 ARG 623 2HH1 ARG 623 -20.312 -4.784 7.000 734 HH21 ARG 623 1HH2 ARG 623 -18.115 -4.595 4.446 735 HH22 ARG 623 2HH2 ARG 623 -19.506 -5.386 5.167 736 H ALA 624 H ALA 624 -15.356 2.519 5.271 737 HA ALA 624 HA ALA 624 -13.087 3.314 6.930 738 HB1 ALA 624 1HB ALA 624 -13.642 4.501 4.871 739 HB2 ALA 624 2HB ALA 624 -15.246 4.908 5.509 740 HB3 ALA 624 3HB ALA 624 -13.788 5.590 6.257 741 H ASP 625 H ASP 625 -13.062 3.711 9.074 742 HA ASP 625 HA ASP 625 -15.464 3.657 10.724 743 HB2 ASP 625 2HB ASP 625 -12.896 3.083 11.267 744 HB3 ASP 625 3HB ASP 625 -12.801 4.773 11.622 745 H THR 626 H THR 626 -13.654 6.010 9.060 746 HA THR 626 HA THR 626 -14.897 8.488 10.093 747 HB THR 626 HB THR 626 -13.312 7.796 11.814 748 HG1 THR 626 1HG THR 626 -12.419 9.602 12.074 749 HG21 THR 626 1HG2 THR 626 -11.734 6.442 10.593 750 HG22 THR 626 2HG2 THR 626 -10.887 7.753 11.428 751 HG23 THR 626 3HG2 THR 626 -11.162 7.865 9.673 752 H TYR 627 H TYR 627 -13.567 10.447 9.012 753 HA TYR 627 HA TYR 627 -13.216 9.987 6.173 754 HB2 TYR 627 2HB TYR 627 -14.070 12.055 6.994 755 HB3 TYR 627 3HB TYR 627 -12.696 12.305 8.001 756 HD1 TYR 627 HD1 TYR 627 -10.316 12.526 6.630 757 HD2 TYR 627 HD2 TYR 627 -14.253 13.377 5.143 758 HE1 TYR 627 HE1 TYR 627 -9.337 14.006 4.854 759 HE2 TYR 627 HE2 TYR 627 -13.282 14.883 3.400 760 HH TYR 627 HH TYR 627 -11.361 15.844 2.552 761 H CYS 628 H CYS 628 -11.583 8.787 5.452 762 HA CYS 628 HA CYS 628 -8.965 8.757 6.912 763 HB2 CYS 628 2HB CYS 628 -10.575 6.773 7.175 764 HB3 CYS 628 3HB CYS 628 -10.235 6.413 5.465 765 HG CYS 628 HG CYS 628 -8.862 4.826 6.995 766 H ARG 629 H ARG 629 -7.234 9.223 5.810 767 HA ARG 629 HA ARG 629 -7.257 9.596 2.864 768 HB2 ARG 629 2HB ARG 629 -5.201 10.257 5.021 769 HB3 ARG 629 3HB ARG 629 -4.984 10.562 3.304 770 HG2 ARG 629 2HG ARG 629 -7.506 11.722 4.317 771 HG3 ARG 629 3HG ARG 629 -6.107 12.303 5.215 772 HD2 ARG 629 2HD ARG 629 -6.262 12.337 2.177 773 HD3 ARG 629 3HD ARG 629 -6.804 13.666 3.199 774 HE ARG 629 HE ARG 629 -3.994 12.632 3.394 775 HH11 ARG 629 1HH1 ARG 629 -6.046 15.471 2.756 776 HH12 ARG 629 2HH1 ARG 629 -4.592 16.446 2.551 777 HH21 ARG 629 1HH2 ARG 629 -2.332 14.020 2.862 778 HH22 ARG 629 2HH2 ARG 629 -2.707 15.731 2.718 779 H LEU 630 H LEU 630 -6.667 8.076 1.589 780 HA LEU 630 HA LEU 630 -4.731 5.956 2.458 781 HB2 LEU 630 2HB LEU 630 -6.896 5.733 0.335 782 HB3 LEU 630 3HB LEU 630 -5.781 4.474 0.862 783 HG LEU 630 HG LEU 630 -8.124 5.639 2.422 784 HD11 LEU 630 1HD1 LEU 630 -7.429 2.850 1.392 785 HD12 LEU 630 2HD1 LEU 630 -8.587 3.948 0.658 786 HD13 LEU 630 3HD1 LEU 630 -8.920 3.309 2.272 787 HD21 LEU 630 3HD2 LEU 630 -5.996 3.659 3.321 788 HD22 LEU 630 1HD2 LEU 630 -7.545 3.938 4.167 789 HD23 LEU 630 2HD2 LEU 630 -6.363 5.239 4.054 790 H TYR 631 H TYR 631 -3.196 5.270 0.871 791 HA TYR 631 HA TYR 631 -2.730 7.308 -1.274 792 HB2 TYR 631 2HB TYR 631 -0.641 7.357 -0.850 793 HB3 TYR 631 3HB TYR 631 -1.007 6.664 0.668 794 HD1 TYR 631 HD1 TYR 631 -1.385 3.663 -0.640 795 HD2 TYR 631 HD2 TYR 631 1.626 6.722 -0.526 796 HE1 TYR 631 HE1 TYR 631 0.361 1.942 -0.926 797 HE2 TYR 631 HE2 TYR 631 3.387 4.993 -0.727 798 HH TYR 631 HH TYR 631 3.829 2.739 -0.947 799 H SER 632 H SER 632 -1.948 6.517 -3.437 800 HA SER 632 HA SER 632 -2.061 3.539 -3.719 801 HB2 SER 632 2HB SER 632 -3.222 5.386 -5.830 802 HB3 SER 632 3HB SER 632 -3.139 3.611 -5.867 803 HG SER 632 HG SER 632 -4.274 4.235 -3.593 804 H LEU 633 H LEU 633 -0.085 2.845 -4.240 805 HA LEU 633 HA LEU 633 1.664 4.546 -5.981 806 HB2 LEU 633 2HB LEU 633 2.186 4.283 -3.449 807 HB3 LEU 633 3HB LEU 633 2.721 2.668 -3.875 808 HG LEU 633 HG LEU 633 3.919 5.371 -4.632 809 HD11 LEU 633 1HD1 LEU 633 5.930 4.400 -3.607 810 HD12 LEU 633 2HD1 LEU 633 5.062 2.880 -3.313 811 HD13 LEU 633 3HD1 LEU 633 4.566 4.381 -2.494 812 HD21 LEU 633 3HD2 LEU 633 4.160 4.206 -6.713 813 HD22 LEU 633 1HD2 LEU 633 4.651 2.695 -5.885 814 HD23 LEU 633 2HD2 LEU 633 5.701 4.122 -5.887 815 H SER 634 H SER 634 2.417 3.648 -7.756 816 HA SER 634 HA SER 634 1.559 1.034 -8.590 817 HB2 SER 634 2HB SER 634 1.522 2.947 -10.068 818 HB3 SER 634 3HB SER 634 3.285 3.114 -9.920 819 HG SER 634 HG SER 634 2.417 1.929 -11.791 820 H VAL 635 H VAL 635 2.531 -0.864 -8.644 821 HA VAL 635 HA VAL 635 5.272 -1.259 -7.829 822 HB VAL 635 HB VAL 635 5.097 -3.499 -8.437 823 HG11 VAL 635 1HG1 VAL 635 3.781 -2.782 -6.452 824 HG12 VAL 635 2HG1 VAL 635 2.311 -2.790 -7.472 825 HG13 VAL 635 3HG1 VAL 635 3.227 -4.289 -7.199 826 HG21 VAL 635 3HG2 VAL 635 2.642 -2.958 -10.087 827 HG22 VAL 635 1HG2 VAL 635 4.253 -3.549 -10.611 828 HG23 VAL 635 2HG2 VAL 635 3.264 -4.557 -9.594 829 H ASP 636 H ASP 636 3.784 -0.544 -10.974 830 HA ASP 636 HA ASP 636 5.909 -1.473 -12.630 831 HB2 ASP 636 2HB ASP 636 4.011 0.878 -12.969 832 HB3 ASP 636 3HB ASP 636 5.137 0.331 -14.191 833 H ASN 637 H ASN 637 5.387 1.608 -10.895 834 HA ASN 637 HA ASN 637 7.900 2.758 -11.696 835 HB2 ASN 637 2HB ASN 637 5.967 3.470 -9.462 836 HB3 ASN 637 3HB ASN 637 7.407 4.410 -9.884 837 HD21 ASN 637 HD21 ASN 637 7.537 5.396 -12.052 838 HD22 ASN 637 HD22 ASN 637 6.008 5.630 -12.937 839 H PHE 638 H PHE 638 6.935 0.822 -8.789 840 HA PHE 638 HA PHE 638 9.386 0.984 -7.303 841 HB2 PHE 638 2HB PHE 638 7.201 -0.114 -6.664 842 HB3 PHE 638 3HB PHE 638 7.761 -1.516 -7.571 843 HD1 PHE 638 1HD PHE 638 10.096 -2.533 -6.894 844 HD2 PHE 638 2HD PHE 638 7.915 0.276 -4.452 845 HE1 PHE 638 1HE PHE 638 11.429 -3.209 -4.911 846 HE2 PHE 638 2HE PHE 638 9.290 -0.385 -2.490 847 HZ PHE 638 HZ PHE 638 11.042 -2.104 -2.721 848 H ASN 639 H ASN 639 8.453 -1.258 -9.935 849 HA ASN 639 HA ASN 639 11.027 -2.607 -10.104 850 HB2 ASN 639 2HB ASN 639 8.527 -2.461 -11.863 851 HB3 ASN 639 3HB ASN 639 9.891 -3.486 -12.251 852 HD21 ASN 639 HD21 ASN 639 7.021 -3.273 -10.224 853 HD22 ASN 639 HD22 ASN 639 7.100 -4.994 -9.927 854 H GLU 640 H GLU 640 9.832 0.374 -11.516 855 HA GLU 640 HA GLU 640 11.820 0.650 -13.633 856 HB2 GLU 640 2HB GLU 640 9.883 2.456 -12.213 857 HB3 GLU 640 3HB GLU 640 11.094 3.180 -13.151 858 HG2 GLU 640 2HG GLU 640 9.220 1.049 -14.288 859 HG3 GLU 640 3HG GLU 640 8.691 2.710 -14.102 860 H VAL 641 H VAL 641 11.392 2.305 -10.498 861 HA VAL 641 HA VAL 641 13.855 3.767 -10.565 862 HB VAL 641 HB VAL 641 11.883 4.572 -9.472 863 HG11 VAL 641 1HG1 VAL 641 12.000 2.918 -7.029 864 HG12 VAL 641 2HG1 VAL 641 10.635 3.591 -7.967 865 HG13 VAL 641 3HG1 VAL 641 11.415 2.096 -8.474 866 HG21 VAL 641 3HG2 VAL 641 12.699 5.270 -7.256 867 HG22 VAL 641 1HG2 VAL 641 14.051 4.151 -7.392 868 HG23 VAL 641 2HG2 VAL 641 13.921 5.505 -8.541 869 H LEU 642 H LEU 642 13.072 0.633 -9.148 870 HA LEU 642 HA LEU 642 15.212 0.138 -7.511 871 HB2 LEU 642 2HB LEU 642 13.474 -1.465 -9.334 872 HB3 LEU 642 3HB LEU 642 14.996 -2.226 -9.015 873 HG LEU 642 HG LEU 642 12.908 -1.438 -6.942 874 HD11 LEU 642 1HD1 LEU 642 12.861 -3.887 -6.575 875 HD12 LEU 642 2HD1 LEU 642 14.105 -4.112 -7.817 876 HD13 LEU 642 3HD1 LEU 642 12.497 -3.499 -8.263 877 HD21 LEU 642 3HD2 LEU 642 14.999 -1.062 -5.808 878 HD22 LEU 642 1HD2 LEU 642 15.720 -2.492 -6.545 879 HD23 LEU 642 2HD2 LEU 642 14.434 -2.652 -5.321 880 H GLU 643 H GLU 643 15.523 0.117 -11.122 881 HA GLU 643 HA GLU 643 18.167 -0.924 -11.135 882 HB2 GLU 643 2HB GLU 643 16.496 0.716 -13.046 883 HB3 GLU 643 3HB GLU 643 18.127 0.198 -13.480 884 HG2 GLU 643 2HG GLU 643 16.290 -1.913 -12.398 885 HG3 GLU 643 3HG GLU 643 15.837 -1.213 -13.922 886 H GLU 644 H GLU 644 17.186 2.361 -10.304 887 HA GLU 644 HA GLU 644 19.723 3.631 -10.891 888 HB2 GLU 644 2HB GLU 644 17.410 4.291 -9.084 889 HB3 GLU 644 3HB GLU 644 18.758 5.372 -9.397 890 HG2 GLU 644 2HG GLU 644 17.105 4.202 -11.694 891 HG3 GLU 644 3HG GLU 644 16.541 5.528 -10.747 892 H TYR 645 H TYR 645 18.548 1.592 -8.377 893 HA TYR 645 HA TYR 645 20.811 2.194 -6.517 894 HB2 TYR 645 2HB TYR 645 17.955 1.468 -5.805 895 HB3 TYR 645 3HB TYR 645 19.266 1.810 -4.679 896 HD1 TYR 645 HD1 TYR 645 20.217 4.162 -4.528 897 HD2 TYR 645 HD2 TYR 645 16.755 3.237 -6.926 898 HE1 TYR 645 HE1 TYR 645 19.702 6.590 -4.736 899 HE2 TYR 645 HE2 TYR 645 16.262 5.664 -7.157 900 HH TYR 645 HH TYR 645 17.018 7.792 -6.784 901 HA PRO 646 HA PRO 646 20.819 -2.107 -8.366 902 HB2 PRO 646 2HB PRO 646 23.605 -2.468 -8.237 903 HB3 PRO 646 3HB PRO 646 22.677 -1.784 -9.604 904 HG2 PRO 646 2HG PRO 646 24.064 -0.284 -7.369 905 HG3 PRO 646 3HG PRO 646 24.130 0.031 -9.138 906 HD2 PRO 646 2HD PRO 646 22.469 1.477 -7.643 907 HD3 PRO 646 3HD PRO 646 21.850 0.780 -9.163 908 H MET 647 H MET 647 22.370 -1.140 -5.288 909 HA MET 647 HA MET 647 22.725 -3.755 -4.147 910 HB2 MET 647 2HB MET 647 23.679 -1.713 -3.168 911 HB3 MET 647 3HB MET 647 22.059 -1.055 -2.924 912 HG2 MET 647 2HG MET 647 21.630 -3.092 -1.393 913 HG3 MET 647 3HG MET 647 23.373 -3.370 -1.481 914 HE1 MET 647 3HE MET 647 20.398 -1.408 -0.168 915 HE2 MET 647 1HE MET 647 21.076 0.054 0.584 916 HE3 MET 647 2HE MET 647 21.064 -0.105 -1.180 917 H MET 648 H MET 648 19.879 -1.584 -4.296 918 HA MET 648 HA MET 648 18.178 -3.373 -2.689 919 HB2 MET 648 2HB MET 648 17.763 -0.806 -4.230 920 HB3 MET 648 3HB MET 648 16.385 -1.754 -3.671 921 HG2 MET 648 2HG MET 648 18.567 -0.880 -1.756 922 HG3 MET 648 3HG MET 648 17.228 0.167 -2.213 923 HE1 MET 648 3HE MET 648 18.077 -3.377 -0.525 924 HE2 MET 648 1HE MET 648 18.364 -2.012 0.580 925 HE3 MET 648 2HE MET 648 17.053 -3.156 0.905 926 H ARG 649 H ARG 649 18.728 -2.703 -6.188 927 HA ARG 649 HA ARG 649 16.636 -4.343 -7.147 928 HB2 ARG 649 2HB ARG 649 18.197 -2.760 -8.421 929 HB3 ARG 649 3HB ARG 649 19.321 -4.101 -8.558 930 HG2 ARG 649 2HG ARG 649 16.396 -4.304 -9.436 931 HG3 ARG 649 3HG ARG 649 17.609 -3.596 -10.482 932 HD2 ARG 649 2HD ARG 649 17.691 -6.449 -9.424 933 HD3 ARG 649 3HD ARG 649 17.148 -5.955 -11.023 934 HE ARG 649 HE ARG 649 19.682 -4.870 -10.871 935 HH11 ARG 649 1HH1 ARG 649 18.425 -8.198 -10.913 936 HH12 ARG 649 2HH1 ARG 649 20.065 -8.798 -11.170 937 HH21 ARG 649 1HH2 ARG 649 21.654 -5.870 -11.237 938 HH22 ARG 649 2HH2 ARG 649 21.691 -7.637 -11.370 939 H ARG 650 H ARG 650 19.967 -5.460 -6.381 940 HA ARG 650 HA ARG 650 19.321 -8.242 -6.844 941 HB2 ARG 650 2HB ARG 650 21.338 -8.778 -5.625 942 HB3 ARG 650 3HB ARG 650 21.609 -7.530 -6.853 943 HG2 ARG 650 2HG ARG 650 21.590 -5.811 -5.033 944 HG3 ARG 650 3HG ARG 650 21.360 -7.110 -3.851 945 HD2 ARG 650 2HD ARG 650 23.595 -6.741 -3.716 946 HD3 ARG 650 3HD ARG 650 23.546 -8.115 -4.818 947 HE ARG 650 HE ARG 650 23.666 -6.184 -6.654 948 HH11 ARG 650 1HH1 ARG 650 25.371 -6.143 -3.586 949 HH12 ARG 650 2HH1 ARG 650 26.795 -5.429 -4.266 950 HH21 ARG 650 1HH2 ARG 650 25.487 -5.061 -7.452 951 HH22 ARG 650 2HH2 ARG 650 26.913 -5.049 -6.476 952 H ALA 651 H ALA 651 18.994 -6.300 -3.940 953 HA ALA 651 HA ALA 651 18.403 -8.350 -2.087 954 HB1 ALA 651 1HB ALA 651 18.868 -5.921 -1.558 955 HB2 ALA 651 2HB ALA 651 17.210 -5.548 -2.102 956 HB3 ALA 651 3HB ALA 651 17.472 -6.599 -0.704 957 H PHE 652 H PHE 652 16.304 -6.953 -4.559 958 HA PHE 652 HA PHE 652 13.969 -8.519 -3.638 959 HB2 PHE 652 2HB PHE 652 14.440 -6.407 -5.728 960 HB3 PHE 652 3HB PHE 652 12.989 -7.418 -5.766 961 HD1 PHE 652 2HD PHE 652 11.393 -7.422 -3.807 962 HD2 PHE 652 1HD PHE 652 14.670 -4.647 -4.082 963 HE1 PHE 652 2HE PHE 652 10.373 -6.034 -2.026 964 HE2 PHE 652 1HE PHE 652 13.668 -3.265 -2.287 965 HZ PHE 652 HZ PHE 652 11.515 -3.944 -1.261 966 H GLU 653 H GLU 653 16.658 -9.058 -5.709 967 HA GLU 653 HA GLU 653 15.310 -11.045 -7.412 968 HB2 GLU 653 2HB GLU 653 18.229 -10.268 -7.091 969 HB3 GLU 653 3HB GLU 653 17.638 -11.404 -8.286 970 HG2 GLU 653 2HG GLU 653 16.430 -8.625 -8.212 971 HG3 GLU 653 3HG GLU 653 18.047 -8.855 -8.858 972 H THR 654 H THR 654 17.002 -11.056 -4.360 973 HA THR 654 HA THR 654 17.543 -13.925 -4.306 974 HB THR 654 HB THR 654 18.984 -12.674 -2.988 975 HG1 THR 654 1HG THR 654 18.746 -13.664 -1.054 976 HG21 THR 654 1HG2 THR 654 17.839 -10.623 -2.613 977 HG22 THR 654 2HG2 THR 654 18.213 -11.306 -1.035 978 HG23 THR 654 3HG2 THR 654 16.549 -11.396 -1.675 979 H VAL 655 H VAL 655 15.015 -11.883 -2.819 980 HA VAL 655 HA VAL 655 13.516 -13.959 -1.589 981 HB VAL 655 HB VAL 655 13.144 -11.720 -0.994 982 HG11 VAL 655 1HG1 VAL 655 12.144 -10.008 -2.361 983 HG12 VAL 655 2HG1 VAL 655 13.729 -10.538 -2.930 984 HG13 VAL 655 3HG1 VAL 655 12.238 -11.073 -3.780 985 HG21 VAL 655 3HG2 VAL 655 10.607 -12.609 -2.416 986 HG22 VAL 655 1HG2 VAL 655 11.170 -13.233 -0.846 987 HG23 VAL 655 2HG2 VAL 655 10.736 -11.525 -1.016 988 H ALA 656 H ALA 656 13.434 -12.719 -4.875 989 HA ALA 656 HA ALA 656 11.334 -14.300 -5.926 990 HB1 ALA 656 1HB ALA 656 12.278 -13.676 -8.095 991 HB2 ALA 656 2HB ALA 656 12.330 -12.303 -6.983 992 HB3 ALA 656 3HB ALA 656 13.810 -13.221 -7.324 993 H ILE 657 H ILE 657 14.180 -15.620 -4.683 994 HA ILE 657 HA ILE 657 13.468 -18.189 -5.997 995 HB ILE 657 HB ILE 657 15.488 -17.499 -7.045 996 HG12 ILE 657 2HG1 ILE 657 16.144 -19.765 -5.123 997 HG13 ILE 657 3HG1 ILE 657 14.978 -19.915 -6.443 998 HG21 ILE 657 1HG2 ILE 657 16.493 -16.026 -5.398 999 HG22 ILE 657 2HG2 ILE 657 16.750 -17.385 -4.276 1000 HG23 ILE 657 3HG2 ILE 657 17.637 -17.292 -5.807 1001 HD11 ILE 657 3HD1 ILE 657 16.753 -19.316 -8.076 1002 HD12 ILE 657 1HD1 ILE 657 17.944 -19.304 -6.750 1003 HD13 ILE 657 2HD1 ILE 657 17.099 -20.800 -7.168 1004 H ASP 658 H ASP 658 14.512 -16.547 -2.985 1005 HA ASP 658 HA ASP 658 14.449 -18.890 -1.333 1006 HB2 ASP 658 2HB ASP 658 15.393 -16.711 -0.632 1007 HB3 ASP 658 3HB ASP 658 13.772 -16.002 -0.635 1008 H ARG 659 H ARG 659 11.873 -16.702 -2.383 1009 HA ARG 659 HA ARG 659 9.740 -17.904 -0.785 1010 HB2 ARG 659 2HB ARG 659 10.086 -15.480 -1.431 1011 HB3 ARG 659 3HB ARG 659 9.675 -15.925 -3.095 1012 HG2 ARG 659 2HG ARG 659 7.406 -16.564 -2.367 1013 HG3 ARG 659 3HG ARG 659 7.830 -16.154 -0.684 1014 HD2 ARG 659 2HD ARG 659 8.316 -13.824 -1.369 1015 HD3 ARG 659 3HD ARG 659 8.026 -14.246 -3.054 1016 HE ARG 659 HE ARG 659 5.683 -14.508 -2.642 1017 HH11 ARG 659 1HH1 ARG 659 7.222 -13.346 0.320 1018 HH12 ARG 659 2HH1 ARG 659 5.726 -12.591 0.840 1019 HH21 ARG 659 1HH2 ARG 659 3.907 -13.911 -1.785 1020 HH22 ARG 659 2HH2 ARG 659 3.839 -13.177 -0.184 1021 H LEU 660 H LEU 660 11.127 -18.658 -3.818 1022 HA LEU 660 HA LEU 660 8.706 -19.968 -4.927 1023 HB2 LEU 660 2HB LEU 660 11.468 -19.301 -5.989 1024 HB3 LEU 660 3HB LEU 660 10.429 -20.420 -6.834 1025 HG LEU 660 HG LEU 660 10.386 -18.124 -7.745 1026 HD11 LEU 660 1HD1 LEU 660 7.679 -19.053 -6.705 1027 HD12 LEU 660 2HD1 LEU 660 8.515 -19.690 -8.133 1028 HD13 LEU 660 3HD1 LEU 660 7.985 -18.000 -8.099 1029 HD21 LEU 660 3HD2 LEU 660 8.740 -17.335 -5.314 1030 HD22 LEU 660 1HD2 LEU 660 9.225 -16.319 -6.685 1031 HD23 LEU 660 2HD2 LEU 660 10.449 -16.901 -5.535 1032 H ASP 661 H ASP 661 11.147 -20.830 -2.864 1033 HA ASP 661 HA ASP 661 12.054 -22.707 -2.041 1034 HB2 ASP 661 2HB ASP 661 9.684 -23.300 -1.832 1035 HB3 ASP 661 3HB ASP 661 9.760 -24.152 -3.381 1036 H ARG 662 H ARG 662 12.962 -24.949 -2.589 1037 HA ARG 662 HA ARG 662 15.083 -24.647 -4.360 1038 HB2 ARG 662 2HB ARG 662 13.785 -27.226 -3.399 1039 HB3 ARG 662 3HB ARG 662 15.410 -27.114 -4.049 1040 HG2 ARG 662 2HG ARG 662 16.303 -26.215 -2.141 1041 HG3 ARG 662 3HG ARG 662 14.856 -25.313 -1.705 1042 HD2 ARG 662 2HD ARG 662 15.125 -28.332 -1.450 1043 HD3 ARG 662 3HD ARG 662 15.349 -27.154 -0.134 1044 HE ARG 662 HE ARG 662 12.838 -26.569 -1.152 1045 HH11 ARG 662 1HH1 ARG 662 14.230 -29.299 0.591 1046 HH12 ARG 662 2HH1 ARG 662 12.671 -29.614 1.355 1047 HH21 ARG 662 1HH2 ARG 662 10.952 -27.272 -0.464 1048 HH22 ARG 662 2HH2 ARG 662 10.894 -28.549 0.751 1049 H ILE 663 H ILE 663 12.332 -26.807 -4.988 1050 HA ILE 663 HA ILE 663 11.471 -27.777 -6.777 1051 HB ILE 663 HB ILE 663 12.281 -25.280 -8.272 1052 HG12 ILE 663 2HG1 ILE 663 11.015 -24.593 -6.352 1053 HG13 ILE 663 3HG1 ILE 663 10.072 -24.398 -7.807 1054 HG21 ILE 663 1HG2 ILE 663 11.612 -26.945 -9.879 1055 HG22 ILE 663 2HG2 ILE 663 10.195 -27.393 -8.900 1056 HG23 ILE 663 3HG2 ILE 663 10.282 -25.808 -9.695 1057 HD11 ILE 663 3HD1 ILE 663 9.768 -26.653 -5.790 1058 HD12 ILE 663 1HD1 ILE 663 8.696 -25.256 -5.986 1059 HD13 ILE 663 2HD1 ILE 663 8.806 -26.467 -7.277 1060 H GLY 664 H GLY 664 11.835 -29.175 -8.494 1061 HA2 GLY 664 2HA GLY 664 14.584 -30.038 -8.931 1062 HA3 GLY 664 3HA GLY 664 13.134 -30.675 -9.715 1063 H LYS 665 H LYS 665 15.765 -28.369 -9.952 1064 HA LYS 665 HA LYS 665 14.682 -27.137 -12.402 1065 HB2 LYS 665 2HB LYS 665 17.290 -26.555 -11.081 1066 HB3 LYS 665 3HB LYS 665 16.507 -25.600 -12.320 1067 HG2 LYS 665 2HG LYS 665 15.639 -25.944 -9.430 1068 HG3 LYS 665 3HG LYS 665 16.272 -24.499 -10.189 1069 HD2 LYS 665 2HD LYS 665 13.586 -25.779 -10.855 1070 HD3 LYS 665 3HD LYS 665 13.835 -24.390 -9.794 1071 HE2 LYS 665 2HE LYS 665 14.786 -23.084 -11.658 1072 HE3 LYS 665 3HE LYS 665 14.580 -24.467 -12.748 1073 HZ1 LYS 665 3HZ LYS 665 12.738 -22.917 -12.954 1074 HZ2 LYS 665 1HZ LYS 665 12.361 -23.057 -11.357 1075 HZ3 LYS 665 2HZ LYS 665 12.195 -24.341 -12.372 1076 H LYS 666 H LYS 666 15.636 -27.075 -14.378 1077 HA LYS 666 HA LYS 666 17.503 -29.256 -15.131 1078 HB2 LYS 666 2HB LYS 666 17.059 -28.643 -17.402 1079 HB3 LYS 666 3HB LYS 666 15.540 -28.754 -16.522 1080 HG2 LYS 666 2HG LYS 666 15.632 -26.194 -16.278 1081 HG3 LYS 666 3HG LYS 666 17.004 -26.229 -17.399 1082 HD2 LYS 666 2HD LYS 666 15.616 -27.264 -19.131 1083 HD3 LYS 666 3HD LYS 666 14.252 -27.397 -17.997 1084 HE2 LYS 666 2HE LYS 666 14.147 -24.947 -17.786 1085 HE3 LYS 666 3HE LYS 666 15.516 -24.772 -18.901 1086 HZ1 LYS 666 3HZ LYS 666 13.361 -24.530 -20.068 1087 HZ2 LYS 666 1HZ LYS 666 12.900 -26.015 -19.590 1088 HZ3 LYS 666 2HZ LYS 666 14.160 -25.850 -20.614 1089 H ASN 667 H ASN 667 19.389 -28.741 -16.513 1090 HA ASN 667 HA ASN 667 21.229 -27.323 -14.911 1091 HB2 ASN 667 2HB ASN 667 21.467 -28.373 -17.762 1092 HB3 ASN 667 3HB ASN 667 22.820 -27.704 -16.860 1093 HD21 ASN 667 HD21 ASN 667 21.783 -30.583 -17.815 1094 HD22 ASN 667 HD22 ASN 667 22.217 -31.526 -16.388 1095 H SER 668 H SER 668 19.940 -26.243 -18.121 1096 HA SER 668 HA SER 668 19.939 -24.222 -19.142 1097 HB2 SER 668 2HB SER 668 19.639 -23.279 -16.274 1098 HB3 SER 668 3HB SER 668 19.348 -22.263 -17.696 1099 HG SER 668 HG SER 668 17.785 -23.727 -18.413 1100 H ILE 669 H ILE 669 20.894 -21.668 -18.304 1101 HA ILE 669 HA ILE 669 23.394 -21.764 -19.660 1102 HB ILE 669 HB ILE 669 23.324 -19.309 -19.424 1103 HG12 ILE 669 2HG1 ILE 669 20.826 -19.743 -17.724 1104 HG13 ILE 669 3HG1 ILE 669 22.381 -19.145 -17.147 1105 HG21 ILE 669 1HG2 ILE 669 22.090 -20.560 -21.210 1106 HG22 ILE 669 2HG2 ILE 669 20.612 -20.447 -20.226 1107 HG23 ILE 669 3HG2 ILE 669 21.401 -18.980 -20.840 1108 HD11 ILE 669 3HD1 ILE 669 20.504 -17.740 -19.076 1109 HD12 ILE 669 1HD1 ILE 669 20.914 -17.271 -17.420 1110 HD13 ILE 669 2HD1 ILE 669 22.150 -17.175 -18.692 1111 H LEU 670 H LEU 670 25.367 -20.752 -19.105 1112 HA LEU 670 HA LEU 670 26.262 -21.354 -16.365 1113 HB2 LEU 670 2HB LEU 670 28.507 -20.944 -17.207 1114 HB3 LEU 670 3HB LEU 670 27.640 -22.156 -18.113 1115 HG LEU 670 HG LEU 670 27.375 -20.651 -20.006 1116 HD11 LEU 670 1HD1 LEU 670 27.190 -18.433 -19.027 1117 HD12 LEU 670 2HD1 LEU 670 28.600 -18.463 -20.068 1118 HD13 LEU 670 3HD1 LEU 670 28.823 -18.568 -18.311 1119 HD21 LEU 670 3HD2 LEU 670 30.211 -20.659 -18.891 1120 HD22 LEU 670 1HD2 LEU 670 29.761 -20.425 -20.594 1121 HD23 LEU 670 2HD2 LEU 670 29.433 -21.974 -19.799 1122 H LEU 671 H LEU 671 27.990 -19.755 -15.496 1123 HA LEU 671 HA LEU 671 27.416 -16.939 -16.086 1124 HB2 LEU 671 2HB LEU 671 25.892 -17.537 -14.238 1125 HB3 LEU 671 3HB LEU 671 27.240 -18.020 -13.239 1126 HG LEU 671 HG LEU 671 26.110 -15.781 -12.821 1127 HD11 LEU 671 1HD1 LEU 671 28.127 -14.634 -12.145 1128 HD12 LEU 671 2HD1 LEU 671 29.113 -15.715 -13.143 1129 HD13 LEU 671 3HD1 LEU 671 28.208 -16.360 -11.764 1130 HD21 LEU 671 3HD2 LEU 671 26.021 -14.985 -15.168 1131 HD22 LEU 671 1HD2 LEU 671 27.793 -14.782 -15.144 1132 HD23 LEU 671 2HD2 LEU 671 26.775 -13.833 -14.057 1133 H HIS 672 H HIS 672 29.217 -15.978 -16.459 1134 HA HIS 672 HA HIS 672 31.350 -15.294 -16.579 1135 HB2 HIS 672 2HB HIS 672 30.768 -14.668 -14.281 1136 HB3 HIS 672 3HB HIS 672 31.515 -16.152 -13.692 1137 HD1 HIS 672 1HD HIS 672 32.417 -12.750 -15.183 1138 HD2 HIS 672 2HD HIS 672 34.139 -16.138 -13.390 1139 HE1 HIS 672 1HE HIS 672 34.780 -12.062 -14.480 Start of MODEL 19 1 H ASN 534 H ASN 534 5.667 13.036 7.986 2 HA ASN 534 HA ASN 534 6.032 10.338 8.489 3 HB2 ASN 534 2HB ASN 534 3.445 11.734 7.675 4 HB3 ASN 534 3HB ASN 534 3.578 10.211 8.560 5 HD21 ASN 534 HD21 ASN 534 4.947 10.383 10.662 6 HD22 ASN 534 HD22 ASN 534 4.771 11.870 11.590 7 H CYS 535 H CYS 535 5.133 11.767 5.345 8 HA CYS 535 HA CYS 535 4.247 9.481 3.989 9 HB2 CYS 535 2HB CYS 535 4.349 11.944 3.277 10 HB3 CYS 535 3HB CYS 535 6.027 11.648 2.794 11 HG CYS 535 HG CYS 535 4.486 11.611 0.676 12 H ARG 536 H ARG 536 7.657 10.442 4.552 13 HA ARG 536 HA ARG 536 8.740 8.081 3.133 14 HB2 ARG 536 2HB ARG 536 9.816 10.367 3.204 15 HB3 ARG 536 3HB ARG 536 10.140 10.100 4.925 16 HG2 ARG 536 2HG ARG 536 11.463 8.006 4.168 17 HG3 ARG 536 3HG ARG 536 11.266 8.610 2.521 18 HD2 ARG 536 2HD ARG 536 12.662 10.006 4.851 19 HD3 ARG 536 3HD ARG 536 13.437 9.226 3.479 20 HE ARG 536 HE ARG 536 12.649 10.925 2.000 21 HH11 ARG 536 1HH1 ARG 536 12.128 11.857 5.425 22 HH12 ARG 536 2HH1 ARG 536 12.177 13.548 4.968 23 HH21 ARG 536 1HH2 ARG 536 12.561 13.184 1.666 24 HH22 ARG 536 2HH2 ARG 536 12.369 14.211 3.074 25 H LYS 537 H LYS 537 7.828 8.865 6.427 26 HA LYS 537 HA LYS 537 9.321 6.716 7.717 27 HB2 LYS 537 2HB LYS 537 7.052 8.411 8.697 28 HB3 LYS 537 3HB LYS 537 7.859 7.135 9.619 29 HG2 LYS 537 2HG LYS 537 10.104 8.263 8.984 30 HG3 LYS 537 3HG LYS 537 9.127 9.615 8.391 31 HD2 LYS 537 2HD LYS 537 9.874 10.086 10.588 32 HD3 LYS 537 3HD LYS 537 8.112 9.791 10.640 33 HE2 LYS 537 2HE LYS 537 8.531 7.502 11.504 34 HE3 LYS 537 3HE LYS 537 10.277 7.770 11.380 35 HZ1 LYS 537 3HZ LYS 537 8.409 9.250 13.138 36 HZ2 LYS 537 1HZ LYS 537 10.040 9.538 13.037 37 HZ3 LYS 537 2HZ LYS 537 9.486 8.099 13.624 38 H LEU 538 H LEU 538 6.066 7.001 6.364 39 HA LEU 538 HA LEU 538 5.167 4.472 7.521 40 HB2 LEU 538 2HB LEU 538 3.900 6.369 5.510 41 HB3 LEU 538 3HB LEU 538 3.125 4.906 6.115 42 HG LEU 538 HG LEU 538 3.899 7.348 7.768 43 HD11 LEU 538 1HD1 LEU 538 1.455 7.519 8.078 44 HD12 LEU 538 2HD1 LEU 538 1.219 6.121 7.004 45 HD13 LEU 538 3HD1 LEU 538 1.912 7.632 6.374 46 HD21 LEU 538 3HD2 LEU 538 2.676 6.172 9.623 47 HD22 LEU 538 1HD2 LEU 538 4.241 5.482 9.229 48 HD23 LEU 538 2HD2 LEU 538 2.764 4.673 8.657 49 H VAL 539 H VAL 539 6.065 5.449 4.171 50 HA VAL 539 HA VAL 539 5.806 2.794 3.091 51 HB VAL 539 HB VAL 539 6.234 5.173 1.972 52 HG11 VAL 539 1HG1 VAL 539 8.974 3.882 1.843 53 HG12 VAL 539 2HG1 VAL 539 8.437 5.312 0.952 54 HG13 VAL 539 3HG1 VAL 539 8.558 5.382 2.732 55 HG21 VAL 539 3HG2 VAL 539 6.946 2.442 0.913 56 HG22 VAL 539 1HG2 VAL 539 5.394 3.268 0.811 57 HG23 VAL 539 2HG2 VAL 539 6.778 3.890 -0.114 58 H ALA 540 H ALA 540 8.491 4.327 4.861 59 HA ALA 540 HA ALA 540 10.234 2.037 4.731 60 HB1 ALA 540 1HB ALA 540 10.180 4.392 6.643 61 HB2 ALA 540 2HB ALA 540 11.554 3.317 6.342 62 HB3 ALA 540 3HB ALA 540 10.980 4.382 5.044 63 H SER 541 H SER 541 7.311 2.186 6.344 64 HA SER 541 HA SER 541 8.193 1.021 8.905 65 HB2 SER 541 2HB SER 541 6.316 2.693 8.735 66 HB3 SER 541 3HB SER 541 5.399 1.409 7.929 67 HG SER 541 HG SER 541 4.824 1.131 9.943 68 H MET 542 H MET 542 7.270 0.034 5.757 69 HA MET 542 HA MET 542 6.371 -2.637 6.250 70 HB2 MET 542 2HB MET 542 7.714 -1.268 3.885 71 HB3 MET 542 3HB MET 542 7.140 -2.925 3.866 72 HG2 MET 542 2HG MET 542 4.837 -2.035 4.489 73 HG3 MET 542 3HG MET 542 5.484 -0.414 4.223 74 HE1 MET 542 3HE MET 542 5.676 -3.963 2.323 75 HE2 MET 542 1HE MET 542 3.978 -3.607 2.717 76 HE3 MET 542 2HE MET 542 4.516 -3.609 1.026 77 HA PRO 543 HA PRO 543 10.425 -4.345 7.364 78 HB2 PRO 543 2HB PRO 543 9.951 -7.021 6.972 79 HB3 PRO 543 3HB PRO 543 9.306 -6.100 8.364 80 HG2 PRO 543 2HG PRO 543 7.893 -6.791 5.771 81 HG3 PRO 543 3HG PRO 543 7.282 -6.968 7.444 82 HD2 PRO 543 2HD PRO 543 6.649 -4.823 5.879 83 HD3 PRO 543 3HD PRO 543 6.892 -4.627 7.637 84 H LEU 544 H LEU 544 8.782 -4.996 4.332 85 HA LEU 544 HA LEU 544 10.927 -5.841 2.678 86 HB2 LEU 544 2HB LEU 544 8.522 -6.032 2.307 87 HB3 LEU 544 3HB LEU 544 8.345 -4.300 2.124 88 HG LEU 544 HG LEU 544 10.178 -5.829 0.248 89 HD11 LEU 544 1HD1 LEU 544 8.076 -7.087 0.289 90 HD12 LEU 544 2HD1 LEU 544 8.177 -6.158 -1.217 91 HD13 LEU 544 3HD1 LEU 544 7.142 -5.587 0.121 92 HD21 LEU 544 3HD2 LEU 544 8.315 -3.428 -0.120 93 HD22 LEU 544 1HD2 LEU 544 9.348 -4.122 -1.374 94 HD23 LEU 544 2HD2 LEU 544 10.082 -3.331 0.022 95 H PHE 545 H PHE 545 10.252 -2.672 4.010 96 HA PHE 545 HA PHE 545 12.292 -1.367 2.280 97 HB2 PHE 545 2HB PHE 545 9.943 -0.300 3.878 98 HB3 PHE 545 3HB PHE 545 11.221 0.725 3.287 99 HD1 PHE 545 1HD PHE 545 8.856 -1.846 1.788 100 HD2 PHE 545 2HD PHE 545 10.801 1.980 1.478 101 HE1 PHE 545 1HE PHE 545 7.402 -1.250 -0.126 102 HE2 PHE 545 2HE PHE 545 9.402 2.540 -0.486 103 HZ PHE 545 HZ PHE 545 7.634 0.961 -1.224 104 H ALA 546 H ALA 546 12.559 -3.012 5.053 105 HA ALA 546 HA ALA 546 13.074 -1.178 7.202 106 HB1 ALA 546 1HB ALA 546 14.230 -3.219 8.105 107 HB2 ALA 546 2HB ALA 546 12.591 -3.579 7.486 108 HB3 ALA 546 3HB ALA 546 14.046 -3.958 6.511 109 H ASN 547 H ASN 547 14.930 -2.435 4.611 110 HA ASN 547 HA ASN 547 17.555 -1.434 5.598 111 HB2 ASN 547 2HB ASN 547 16.609 -3.962 4.168 112 HB3 ASN 547 3HB ASN 547 18.266 -3.532 4.336 113 HD21 ASN 547 HD21 ASN 547 15.675 -5.151 5.902 114 HD22 ASN 547 HD22 ASN 547 16.625 -5.496 7.331 115 H ALA 548 H ALA 548 15.247 -0.536 3.605 116 HA ALA 548 HA ALA 548 16.358 -0.321 0.994 117 HB1 ALA 548 1HB ALA 548 14.304 1.475 2.377 118 HB2 ALA 548 2HB ALA 548 14.533 1.302 0.639 119 HB3 ALA 548 3HB ALA 548 13.933 -0.074 1.579 120 H ASP 549 H ASP 549 17.238 1.461 -0.153 121 HA ASP 549 HA ASP 549 18.921 3.317 1.306 122 HB2 ASP 549 2HB ASP 549 19.545 2.468 -0.912 123 HB3 ASP 549 3HB ASP 549 18.152 3.252 -1.634 124 HA PRO 550 HA PRO 550 15.582 6.113 2.281 125 HB2 PRO 550 2HB PRO 550 16.960 8.377 2.989 126 HB3 PRO 550 3HB PRO 550 16.971 6.872 3.960 127 HG2 PRO 550 2HG PRO 550 18.976 7.678 1.813 128 HG3 PRO 550 3HG PRO 550 19.323 7.259 3.540 129 HD2 PRO 550 2HD PRO 550 19.549 5.399 1.662 130 HD3 PRO 550 3HD PRO 550 18.684 4.983 3.176 131 H ASN 551 H ASN 551 17.526 6.568 -0.468 132 HA ASN 551 HA ASN 551 16.117 9.021 -1.410 133 HB2 ASN 551 2HB ASN 551 18.377 7.509 -2.778 134 HB3 ASN 551 3HB ASN 551 17.701 9.066 -3.220 135 HD21 ASN 551 HD21 ASN 551 19.731 7.372 -0.943 136 HD22 ASN 551 HD22 ASN 551 20.462 8.825 -0.221 137 H PHE 552 H PHE 552 16.641 5.591 -2.175 138 HA PHE 552 HA PHE 552 14.949 5.368 -4.483 139 HB2 PHE 552 2HB PHE 552 16.404 3.571 -4.092 140 HB3 PHE 552 3HB PHE 552 16.052 3.516 -2.384 141 HD1 PHE 552 2HD PHE 552 14.389 2.818 -5.689 142 HD2 PHE 552 1HD PHE 552 14.671 1.909 -1.494 143 HE1 PHE 552 2HE PHE 552 12.805 0.924 -5.985 144 HE2 PHE 552 1HE PHE 552 13.097 0.008 -1.791 145 HZ PHE 552 HZ PHE 552 12.178 -0.496 -4.043 146 H VAL 553 H VAL 553 14.216 4.817 -1.016 147 HA VAL 553 HA VAL 553 11.466 4.219 -1.353 148 HB VAL 553 HB VAL 553 11.156 4.594 0.967 149 HG11 VAL 553 1HG1 VAL 553 12.873 3.154 1.828 150 HG12 VAL 553 2HG1 VAL 553 12.618 2.686 0.123 151 HG13 VAL 553 3HG1 VAL 553 14.017 3.687 0.586 152 HG21 VAL 553 3HG2 VAL 553 13.823 6.029 0.970 153 HG22 VAL 553 1HG2 VAL 553 12.253 6.705 1.476 154 HG23 VAL 553 2HG2 VAL 553 13.029 5.414 2.426 155 H THR 554 H THR 554 13.069 7.214 -1.306 156 HA THR 554 HA THR 554 10.763 8.991 -0.866 157 HB THR 554 HB THR 554 13.701 9.549 -1.416 158 HG1 THR 554 1HG THR 554 13.706 9.073 0.595 159 HG21 THR 554 1HG2 THR 554 11.394 11.439 -0.835 160 HG22 THR 554 2HG2 THR 554 12.490 11.439 -2.245 161 HG23 THR 554 3HG2 THR 554 13.113 11.858 -0.637 162 H ALA 555 H ALA 555 12.810 7.916 -3.592 163 HA ALA 555 HA ALA 555 11.907 9.829 -5.457 164 HB1 ALA 555 1HB ALA 555 12.825 8.220 -7.135 165 HB2 ALA 555 2HB ALA 555 13.924 8.416 -5.761 166 HB3 ALA 555 3HB ALA 555 12.912 6.964 -5.882 167 H MET 556 H MET 556 10.274 7.060 -4.156 168 HA MET 556 HA MET 556 8.264 6.659 -6.232 169 HB2 MET 556 2HB MET 556 8.405 6.131 -3.244 170 HB3 MET 556 3HB MET 556 6.920 5.840 -4.138 171 HG2 MET 556 2HG MET 556 7.961 4.260 -5.611 172 HG3 MET 556 3HG MET 556 9.556 4.658 -4.943 173 HE1 MET 556 3HE MET 556 10.665 3.491 -3.401 174 HE2 MET 556 1HE MET 556 10.146 1.930 -2.724 175 HE3 MET 556 2HE MET 556 10.161 2.184 -4.503 176 H LEU 557 H LEU 557 8.567 8.988 -3.572 177 HA LEU 557 HA LEU 557 5.775 9.298 -3.193 178 HB2 LEU 557 2HB LEU 557 8.031 11.039 -2.179 179 HB3 LEU 557 3HB LEU 557 6.413 10.914 -1.494 180 HG LEU 557 HG LEU 557 8.532 8.718 -1.562 181 HD11 LEU 557 1HD1 LEU 557 8.963 10.526 0.051 182 HD12 LEU 557 2HD1 LEU 557 8.594 8.986 0.852 183 HD13 LEU 557 3HD1 LEU 557 7.360 10.265 0.773 184 HD21 LEU 557 3HD2 LEU 557 6.354 7.639 -1.721 185 HD22 LEU 557 1HD2 LEU 557 5.730 8.629 -0.382 186 HD23 LEU 557 2HD2 LEU 557 7.008 7.430 -0.095 187 H THR 558 H THR 558 7.820 10.917 -5.411 188 HA THR 558 HA THR 558 6.108 13.285 -5.688 189 HB THR 558 HB THR 558 8.568 13.393 -5.790 190 HG1 THR 558 1HG THR 558 8.599 14.771 -7.576 191 HG21 THR 558 1HG2 THR 558 9.054 11.346 -7.116 192 HG22 THR 558 2HG2 THR 558 9.756 12.798 -7.833 193 HG23 THR 558 3HG2 THR 558 8.289 12.096 -8.537 194 H LYS 559 H LYS 559 5.998 10.107 -7.092 195 HA LYS 559 HA LYS 559 4.088 11.071 -9.089 196 HB2 LYS 559 2HB LYS 559 4.868 9.877 -10.943 197 HB3 LYS 559 3HB LYS 559 6.029 11.039 -10.369 198 HG2 LYS 559 2HG LYS 559 7.388 9.342 -10.954 199 HG3 LYS 559 3HG LYS 559 7.253 9.037 -9.230 200 HD2 LYS 559 2HD LYS 559 5.238 7.641 -10.977 201 HD3 LYS 559 3HD LYS 559 6.907 7.231 -11.296 202 HE2 LYS 559 2HE LYS 559 6.482 7.237 -8.417 203 HE3 LYS 559 3HE LYS 559 5.197 6.318 -9.196 204 HZ1 LYS 559 3HZ LYS 559 7.069 4.795 -8.892 205 HZ2 LYS 559 1HZ LYS 559 8.139 5.928 -9.420 206 HZ3 LYS 559 2HZ LYS 559 7.118 5.208 -10.480 207 H LEU 560 H LEU 560 3.866 9.948 -6.529 208 HA LEU 560 HA LEU 560 2.049 7.733 -7.160 209 HB2 LEU 560 2HB LEU 560 1.707 7.303 -4.939 210 HB3 LEU 560 3HB LEU 560 3.400 7.231 -5.396 211 HG LEU 560 HG LEU 560 3.927 9.241 -4.204 212 HD11 LEU 560 1HD1 LEU 560 0.984 9.460 -3.434 213 HD12 LEU 560 2HD1 LEU 560 1.960 10.690 -4.291 214 HD13 LEU 560 3HD1 LEU 560 2.315 10.298 -2.615 215 HD21 LEU 560 3HD2 LEU 560 3.409 8.272 -1.967 216 HD22 LEU 560 1HD2 LEU 560 3.726 6.991 -3.181 217 HD23 LEU 560 2HD2 LEU 560 2.060 7.375 -2.714 218 H LYS 561 H LYS 561 -0.162 7.936 -5.931 219 HA LYS 561 HA LYS 561 -1.196 10.735 -6.038 220 HB2 LYS 561 2HB LYS 561 -2.120 8.783 -7.673 221 HB3 LYS 561 3HB LYS 561 -3.068 8.398 -6.249 222 HG2 LYS 561 2HG LYS 561 -4.513 9.896 -7.172 223 HG3 LYS 561 3HG LYS 561 -3.538 11.080 -6.322 224 HD2 LYS 561 2HD LYS 561 -3.458 10.292 -9.237 225 HD3 LYS 561 3HD LYS 561 -3.870 11.868 -8.576 226 HE2 LYS 561 2HE LYS 561 -1.574 12.366 -8.051 227 HE3 LYS 561 3HE LYS 561 -1.080 10.679 -8.268 228 HZ1 LYS 561 3HZ LYS 561 -2.036 12.433 -10.459 229 HZ2 LYS 561 1HZ LYS 561 -1.635 10.846 -10.599 230 HZ3 LYS 561 2HZ LYS 561 -0.475 11.933 -10.224 231 H PHE 562 H PHE 562 -2.549 11.452 -4.436 232 HA PHE 562 HA PHE 562 -3.321 9.529 -2.315 233 HB2 PHE 562 2HB PHE 562 -2.740 10.819 -0.655 234 HB3 PHE 562 3HB PHE 562 -1.700 11.660 -1.764 235 HD1 PHE 562 2HD PHE 562 -5.032 11.726 -0.080 236 HD2 PHE 562 1HD PHE 562 -2.130 13.987 -2.334 237 HE1 PHE 562 2HE PHE 562 -6.313 13.819 0.349 238 HE2 PHE 562 1HE PHE 562 -3.364 16.079 -1.814 239 HZ PHE 562 HZ PHE 562 -5.467 15.991 -0.507 240 H GLU 563 H GLU 563 -5.405 9.585 -1.588 241 HA GLU 563 HA GLU 563 -7.416 11.298 -2.902 242 HB2 GLU 563 2HB GLU 563 -6.818 9.394 -4.482 243 HB3 GLU 563 3HB GLU 563 -7.464 8.268 -3.282 244 HG2 GLU 563 2HG GLU 563 -9.685 9.272 -3.512 245 HG3 GLU 563 3HG GLU 563 -9.040 10.542 -4.551 246 H VAL 564 H VAL 564 -9.600 10.980 -1.985 247 HA VAL 564 HA VAL 564 -9.505 9.851 0.776 248 HB VAL 564 HB VAL 564 -11.213 12.144 -0.236 249 HG11 VAL 564 1HG1 VAL 564 -10.886 11.012 2.566 250 HG12 VAL 564 2HG1 VAL 564 -11.695 12.516 2.135 251 HG13 VAL 564 3HG1 VAL 564 -12.369 11.016 1.570 252 HG21 VAL 564 3HG2 VAL 564 -8.716 12.062 1.503 253 HG22 VAL 564 1HG2 VAL 564 -8.896 12.884 -0.061 254 HG23 VAL 564 2HG2 VAL 564 -9.776 13.484 1.358 255 H PHE 565 H PHE 565 -11.216 8.733 1.575 256 HA PHE 565 HA PHE 565 -13.530 8.203 -0.254 257 HB2 PHE 565 2HB PHE 565 -12.357 6.232 1.722 258 HB3 PHE 565 3HB PHE 565 -13.873 6.037 0.883 259 HD1 PHE 565 1HD PHE 565 -10.171 6.369 0.299 260 HD2 PHE 565 2HD PHE 565 -13.968 5.019 -1.243 261 HE1 PHE 565 1HE PHE 565 -9.000 5.096 -1.483 262 HE2 PHE 565 2HE PHE 565 -12.786 3.729 -3.010 263 HZ PHE 565 HZ PHE 565 -10.299 3.733 -3.099 264 H GLN 566 H GLN 566 -15.572 8.317 0.729 265 HA GLN 566 HA GLN 566 -15.717 9.881 3.250 266 HB2 GLN 566 2HB GLN 566 -17.664 9.034 1.050 267 HB3 GLN 566 3HB GLN 566 -18.263 9.568 2.593 268 HG2 GLN 566 2HG GLN 566 -18.397 11.445 1.323 269 HG3 GLN 566 3HG GLN 566 -17.024 11.696 2.398 270 HE21 GLN 566 HE21 GLN 566 -14.888 11.883 1.423 271 HE22 GLN 566 HE22 GLN 566 -14.795 12.027 -0.313 272 HA PRO 567 HA PRO 567 -16.603 6.641 6.038 273 HB2 PRO 567 2HB PRO 567 -19.128 7.800 7.073 274 HB3 PRO 567 3HB PRO 567 -17.588 7.537 7.905 275 HG2 PRO 567 2HG PRO 567 -18.549 10.033 7.124 276 HG3 PRO 567 3HG PRO 567 -16.826 9.663 7.345 277 HD2 PRO 567 2HD PRO 567 -18.400 9.889 4.819 278 HD3 PRO 567 3HD PRO 567 -16.684 10.275 5.125 279 H GLY 568 H GLY 568 -17.273 4.670 5.402 280 HA2 GLY 568 2HA GLY 568 -18.982 3.024 5.443 281 HA3 GLY 568 3HA GLY 568 -20.142 4.171 4.769 282 H ASP 569 H ASP 569 -17.331 4.633 2.966 283 HA ASP 569 HA ASP 569 -18.293 2.849 0.868 284 HB2 ASP 569 2HB ASP 569 -17.606 5.349 0.618 285 HB3 ASP 569 3HB ASP 569 -15.952 4.748 0.636 286 H TYR 570 H TYR 570 -17.183 1.095 0.123 287 HA TYR 570 HA TYR 570 -15.042 -0.056 1.772 288 HB2 TYR 570 2HB TYR 570 -16.390 -1.051 -0.719 289 HB3 TYR 570 3HB TYR 570 -15.029 -1.856 0.029 290 HD1 TYR 570 HD1 TYR 570 -18.517 -0.667 0.829 291 HD2 TYR 570 HD2 TYR 570 -15.343 -3.436 1.747 292 HE1 TYR 570 HE1 TYR 570 -20.032 -1.903 2.369 293 HE2 TYR 570 HE2 TYR 570 -16.884 -4.692 3.266 294 HH TYR 570 HH TYR 570 -19.073 -4.854 4.126 295 H ILE 571 H ILE 571 -12.933 0.321 1.509 296 HA ILE 571 HA ILE 571 -12.093 2.196 -0.574 297 HB ILE 571 HB ILE 571 -9.921 2.108 0.556 298 HG12 ILE 571 2HG1 ILE 571 -11.081 0.473 2.832 299 HG13 ILE 571 3HG1 ILE 571 -10.435 -0.365 1.427 300 HG21 ILE 571 1HG2 ILE 571 -12.292 2.566 2.415 301 HG22 ILE 571 2HG2 ILE 571 -10.618 3.034 2.765 302 HG23 ILE 571 3HG2 ILE 571 -11.467 3.755 1.384 303 HD11 ILE 571 3HD1 ILE 571 -8.709 -0.191 3.025 304 HD12 ILE 571 1HD1 ILE 571 -8.322 0.804 1.601 305 HD13 ILE 571 2HD1 ILE 571 -8.880 1.584 3.108 306 H ILE 572 H ILE 572 -11.933 -1.249 -0.135 307 HA ILE 572 HA ILE 572 -10.278 -1.621 -2.557 308 HB ILE 572 HB ILE 572 -9.789 -2.880 0.154 309 HG12 ILE 572 2HG1 ILE 572 -8.081 -1.110 -1.650 310 HG13 ILE 572 3HG1 ILE 572 -8.832 -0.615 -0.158 311 HG21 ILE 572 1HG2 ILE 572 -9.542 -4.568 -1.658 312 HG22 ILE 572 2HG2 ILE 572 -8.403 -3.487 -2.492 313 HG23 ILE 572 3HG2 ILE 572 -8.015 -4.190 -0.899 314 HD11 ILE 572 3HD1 ILE 572 -6.564 -0.950 0.341 315 HD12 ILE 572 1HD1 ILE 572 -7.471 -2.270 1.110 316 HD13 ILE 572 2HD1 ILE 572 -6.539 -2.563 -0.386 317 H ARG 573 H ARG 573 -11.106 -3.112 -3.866 318 HA ARG 573 HA ARG 573 -12.418 -5.582 -2.883 319 HB2 ARG 573 2HB ARG 573 -13.526 -3.928 -5.192 320 HB3 ARG 573 3HB ARG 573 -14.116 -5.490 -4.687 321 HG2 ARG 573 2HG ARG 573 -14.328 -2.953 -2.994 322 HG3 ARG 573 3HG ARG 573 -15.576 -3.600 -4.058 323 HD2 ARG 573 2HD ARG 573 -15.444 -5.762 -2.773 324 HD3 ARG 573 3HD ARG 573 -14.453 -4.933 -1.563 325 HE ARG 573 HE ARG 573 -16.769 -3.346 -1.907 326 HH11 ARG 573 1HH1 ARG 573 -16.328 -6.725 -1.052 327 HH12 ARG 573 2HH1 ARG 573 -17.835 -6.761 -0.178 328 HH21 ARG 573 1HH2 ARG 573 -18.605 -3.491 -0.827 329 HH22 ARG 573 2HH2 ARG 573 -19.122 -5.031 -0.112 330 H GLU 574 H GLU 574 -12.430 -7.238 -4.706 331 HA GLU 574 HA GLU 574 -9.987 -7.369 -6.234 332 HB2 GLU 574 2HB GLU 574 -11.482 -9.259 -5.426 333 HB3 GLU 574 3HB GLU 574 -12.607 -8.874 -6.702 334 HG2 GLU 574 2HG GLU 574 -9.844 -9.249 -7.706 335 HG3 GLU 574 3HG GLU 574 -10.399 -10.626 -6.776 336 H GLY 575 H GLY 575 -9.730 -7.410 -8.543 337 HA2 GLY 575 2HA GLY 575 -11.632 -6.614 -10.421 338 HA3 GLY 575 3HA GLY 575 -10.835 -5.130 -9.929 339 H THR 576 H THR 576 -8.150 -6.876 -9.642 340 HA THR 576 HA THR 576 -7.646 -7.587 -12.423 341 HB THR 576 HB THR 576 -7.530 -5.143 -12.509 342 HG1 THR 576 1HG THR 576 -5.613 -4.992 -13.549 343 HG21 THR 576 1HG2 THR 576 -6.752 -4.693 -10.191 344 HG22 THR 576 2HG2 THR 576 -5.733 -3.900 -11.407 345 HG23 THR 576 3HG2 THR 576 -5.163 -5.377 -10.601 346 H ILE 577 H ILE 577 -5.398 -8.225 -12.776 347 HA ILE 577 HA ILE 577 -4.116 -9.554 -10.474 348 HB ILE 577 HB ILE 577 -3.560 -9.449 -13.471 349 HG12 ILE 577 2HG1 ILE 577 -3.679 -12.021 -12.954 350 HG13 ILE 577 3HG1 ILE 577 -4.485 -11.538 -11.468 351 HG21 ILE 577 1HG2 ILE 577 -1.364 -9.423 -12.338 352 HG22 ILE 577 2HG2 ILE 577 -1.858 -10.829 -11.356 353 HG23 ILE 577 3HG2 ILE 577 -1.682 -10.974 -13.109 354 HD11 ILE 577 3HD1 ILE 577 -5.347 -11.103 -14.371 355 HD12 ILE 577 1HD1 ILE 577 -6.099 -12.175 -13.167 356 HD13 ILE 577 2HD1 ILE 577 -6.233 -10.418 -13.001 357 H GLY 578 H GLY 578 -2.548 -8.674 -9.266 358 HA2 GLY 578 2HA GLY 578 -0.617 -7.418 -8.793 359 HA3 GLY 578 3HA GLY 578 -0.757 -6.593 -10.356 360 H LYS 579 H LYS 579 -2.794 -7.056 -7.421 361 HA LYS 579 HA LYS 579 -4.075 -4.436 -7.737 362 HB2 LYS 579 2HB LYS 579 -4.266 -6.647 -5.710 363 HB3 LYS 579 3HB LYS 579 -4.903 -5.059 -5.292 364 HG2 LYS 579 2HG LYS 579 -5.655 -6.573 -7.809 365 HG3 LYS 579 3HG LYS 579 -6.523 -6.786 -6.294 366 HD2 LYS 579 2HD LYS 579 -6.250 -4.092 -7.701 367 HD3 LYS 579 3HD LYS 579 -7.590 -5.212 -7.951 368 HE2 LYS 579 2HE LYS 579 -8.175 -5.121 -5.573 369 HE3 LYS 579 3HE LYS 579 -6.846 -3.993 -5.255 370 HZ1 LYS 579 3HZ LYS 579 -8.945 -3.378 -7.253 371 HZ2 LYS 579 1HZ LYS 579 -7.947 -2.326 -6.512 372 HZ3 LYS 579 2HZ LYS 579 -9.183 -3.020 -5.688 373 H LYS 580 H LYS 580 -3.743 -2.579 -6.732 374 HA LYS 580 HA LYS 580 -0.979 -2.157 -6.089 375 HB2 LYS 580 2HB LYS 580 -1.478 0.173 -6.386 376 HB3 LYS 580 3HB LYS 580 -2.226 -0.778 -7.660 377 HG2 LYS 580 2HG LYS 580 -4.429 -0.533 -6.501 378 HG3 LYS 580 3HG LYS 580 -3.634 0.441 -5.235 379 HD2 LYS 580 2HD LYS 580 -2.877 2.056 -6.923 380 HD3 LYS 580 3HD LYS 580 -3.617 1.080 -8.213 381 HE2 LYS 580 2HE LYS 580 -5.851 1.401 -7.040 382 HE3 LYS 580 3HE LYS 580 -5.066 2.608 -6.012 383 HZ1 LYS 580 3HZ LYS 580 -5.302 2.653 -8.965 384 HZ2 LYS 580 1HZ LYS 580 -4.460 3.778 -8.149 385 HZ3 LYS 580 2HZ LYS 580 -6.107 3.648 -7.961 386 H MET 581 H MET 581 -0.366 -0.366 -4.552 387 HA MET 581 HA MET 581 -0.914 -1.453 -1.845 388 HB2 MET 581 2HB MET 581 1.418 -1.283 -2.681 389 HB3 MET 581 3HB MET 581 1.199 0.450 -2.934 390 HG2 MET 581 2HG MET 581 2.410 0.244 -0.941 391 HG3 MET 581 3HG MET 581 0.779 0.701 -0.472 392 HE1 MET 581 3HE MET 581 1.858 -1.187 2.611 393 HE2 MET 581 1HE MET 581 2.704 -0.004 1.602 394 HE3 MET 581 2HE MET 581 0.983 0.233 1.977 395 H TYR 582 H TYR 582 -1.927 -0.337 -0.275 396 HA TYR 582 HA TYR 582 -2.552 2.554 -0.640 397 HB2 TYR 582 2HB TYR 582 -4.422 0.387 0.361 398 HB3 TYR 582 3HB TYR 582 -4.715 2.102 0.527 399 HD1 TYR 582 HD1 TYR 582 -4.505 -0.705 -1.905 400 HD2 TYR 582 HD2 TYR 582 -5.561 3.431 -1.283 401 HE1 TYR 582 HE1 TYR 582 -5.830 -0.728 -4.011 402 HE2 TYR 582 HE2 TYR 582 -6.904 3.400 -3.384 403 HH TYR 582 HH TYR 582 -7.145 0.499 -5.463 404 H PHE 583 H PHE 583 -2.455 3.773 1.281 405 HA PHE 583 HA PHE 583 -2.218 2.402 3.800 406 HB2 PHE 583 2HB PHE 583 -0.094 2.793 4.492 407 HB3 PHE 583 3HB PHE 583 0.095 2.258 2.879 408 HD1 PHE 583 2HD PHE 583 -0.393 5.808 4.277 409 HD2 PHE 583 1HD PHE 583 2.124 2.973 2.223 410 HE1 PHE 583 2HE PHE 583 1.289 7.565 3.925 411 HE2 PHE 583 1HE PHE 583 3.851 4.732 1.956 412 HZ PHE 583 HZ PHE 583 3.432 7.041 2.771 413 H ILE 584 H ILE 584 -2.258 3.757 5.654 414 HA ILE 584 HA ILE 584 -4.354 5.711 4.972 415 HB ILE 584 HB ILE 584 -3.759 4.449 7.688 416 HG12 ILE 584 2HG1 ILE 584 -5.501 3.407 5.401 417 HG13 ILE 584 3HG1 ILE 584 -4.059 2.652 6.054 418 HG21 ILE 584 1HG2 ILE 584 -5.280 6.505 7.580 419 HG22 ILE 584 2HG2 ILE 584 -6.303 5.652 6.413 420 HG23 ILE 584 3HG2 ILE 584 -6.153 5.054 8.077 421 HD11 ILE 584 3HD1 ILE 584 -5.629 1.420 7.080 422 HD12 ILE 584 1HD1 ILE 584 -5.381 2.656 8.323 423 HD13 ILE 584 2HD1 ILE 584 -6.782 2.775 7.240 424 H GLN 585 H GLN 585 -3.660 7.779 4.644 425 HA GLN 585 HA GLN 585 -1.372 8.861 6.085 426 HB2 GLN 585 2HB GLN 585 -1.830 9.325 3.731 427 HB3 GLN 585 3HB GLN 585 -3.342 10.125 4.124 428 HG2 GLN 585 2HG GLN 585 -0.776 11.160 5.348 429 HG3 GLN 585 3HG GLN 585 -1.103 11.467 3.649 430 HE21 GLN 585 HE21 GLN 585 -1.716 12.649 6.805 431 HE22 GLN 585 HE22 GLN 585 -2.957 13.812 6.311 432 H HIS 586 H HIS 586 -4.903 9.546 6.135 433 HA HIS 586 HA HIS 586 -4.706 9.843 9.018 434 HB2 HIS 586 2HB HIS 586 -4.369 12.210 8.021 435 HB3 HIS 586 3HB HIS 586 -6.096 12.153 7.657 436 HD1 HIS 586 1HD HIS 586 -7.732 12.211 9.882 437 HD2 HIS 586 2HD HIS 586 -3.585 12.171 10.576 438 HE1 HIS 586 1HE HIS 586 -7.421 12.562 12.378 439 H GLY 587 H GLY 587 -6.468 8.630 9.887 440 HA2 GLY 587 2HA GLY 587 -9.101 8.947 9.493 441 HA3 GLY 587 3HA GLY 587 -8.672 7.939 8.109 442 H VAL 588 H VAL 588 -10.372 6.825 9.610 443 HA VAL 588 HA VAL 588 -8.873 4.638 10.896 444 HB VAL 588 HB VAL 588 -11.517 5.816 11.861 445 HG11 VAL 588 1HG1 VAL 588 -11.493 4.131 13.654 446 HG12 VAL 588 2HG1 VAL 588 -11.655 3.360 12.081 447 HG13 VAL 588 3HG1 VAL 588 -10.087 3.345 12.920 448 HG21 VAL 588 3HG2 VAL 588 -8.807 5.530 13.234 449 HG22 VAL 588 1HG2 VAL 588 -9.549 7.049 12.687 450 HG23 VAL 588 2HG2 VAL 588 -10.292 6.137 14.000 451 H VAL 589 H VAL 589 -9.735 2.553 10.400 452 HA VAL 589 HA VAL 589 -11.952 2.391 8.403 453 HB VAL 589 HB VAL 589 -10.723 0.774 7.064 454 HG11 VAL 589 1HG1 VAL 589 -10.675 3.174 6.422 455 HG12 VAL 589 2HG1 VAL 589 -9.147 3.366 7.299 456 HG13 VAL 589 3HG1 VAL 589 -9.240 2.288 5.890 457 HG21 VAL 589 3HG2 VAL 589 -8.306 1.437 8.800 458 HG22 VAL 589 1HG2 VAL 589 -9.125 -0.137 8.652 459 HG23 VAL 589 2HG2 VAL 589 -8.271 0.540 7.267 460 H SER 590 H SER 590 -13.169 0.568 8.436 461 HA SER 590 HA SER 590 -12.475 -1.523 10.513 462 HB2 SER 590 2HB SER 590 -15.154 -1.117 9.152 463 HB3 SER 590 3HB SER 590 -14.677 -2.422 10.272 464 HG SER 590 HG SER 590 -14.921 0.325 10.877 465 H VAL 591 H VAL 591 -11.494 -3.226 9.830 466 HA VAL 591 HA VAL 591 -11.503 -4.175 7.015 467 HB VAL 591 HB VAL 591 -9.951 -5.273 9.379 468 HG11 VAL 591 1HG1 VAL 591 -9.408 -5.377 6.386 469 HG12 VAL 591 2HG1 VAL 591 -8.338 -6.006 7.649 470 HG13 VAL 591 3HG1 VAL 591 -9.923 -6.731 7.419 471 HG21 VAL 591 3HG2 VAL 591 -8.994 -3.072 7.522 472 HG22 VAL 591 1HG2 VAL 591 -9.333 -2.909 9.262 473 HG23 VAL 591 2HG2 VAL 591 -8.019 -3.948 8.715 474 H LEU 592 H LEU 592 -12.404 -6.105 6.381 475 HA LEU 592 HA LEU 592 -13.266 -8.073 8.467 476 HB2 LEU 592 2HB LEU 592 -14.360 -7.779 5.637 477 HB3 LEU 592 3HB LEU 592 -14.727 -9.060 6.753 478 HG LEU 592 HG LEU 592 -16.592 -7.653 6.647 479 HD11 LEU 592 1HD1 LEU 592 -15.188 -7.016 9.257 480 HD12 LEU 592 2HD1 LEU 592 -16.029 -8.539 8.868 481 HD13 LEU 592 3HD1 LEU 592 -16.945 -7.030 8.961 482 HD21 LEU 592 3HD2 LEU 592 -16.733 -5.335 7.077 483 HD22 LEU 592 1HD2 LEU 592 -15.460 -5.561 5.870 484 HD23 LEU 592 2HD2 LEU 592 -15.030 -5.222 7.561 485 H THR 593 H THR 593 -12.560 -10.265 8.091 486 HA THR 593 HA THR 593 -10.232 -10.443 6.226 487 HB THR 593 HB THR 593 -9.752 -12.263 8.258 488 HG1 THR 593 1HG THR 593 -10.017 -10.996 10.164 489 HG21 THR 593 1HG2 THR 593 -8.930 -9.342 8.094 490 HG22 THR 593 2HG2 THR 593 -8.147 -10.693 7.247 491 HG23 THR 593 3HG2 THR 593 -8.090 -10.627 9.014 492 H LYS 594 H LYS 594 -9.626 -12.635 5.507 493 HA LYS 594 HA LYS 594 -11.668 -13.925 4.114 494 HB2 LYS 594 2HB LYS 594 -10.115 -15.376 3.288 495 HB3 LYS 594 3HB LYS 594 -9.307 -13.855 3.529 496 HG2 LYS 594 2HG LYS 594 -8.987 -16.441 4.966 497 HG3 LYS 594 3HG LYS 594 -7.758 -15.526 4.115 498 HD2 LYS 594 2HD LYS 594 -7.742 -13.834 5.937 499 HD3 LYS 594 3HD LYS 594 -8.960 -14.759 6.825 500 HE2 LYS 594 2HE LYS 594 -6.181 -15.733 6.078 501 HE3 LYS 594 3HE LYS 594 -6.663 -15.124 7.664 502 HZ1 LYS 594 3HZ LYS 594 -7.735 -17.540 6.329 503 HZ2 LYS 594 1HZ LYS 594 -8.256 -16.999 7.805 504 HZ3 LYS 594 2HZ LYS 594 -6.695 -17.535 7.567 505 H GLY 595 H GLY 595 -13.392 -14.300 5.439 506 HA2 GLY 595 2HA GLY 595 -14.799 -15.970 6.402 507 HA3 GLY 595 3HA GLY 595 -13.392 -16.852 6.978 508 H ASN 596 H ASN 596 -13.197 -13.434 7.666 509 HA ASN 596 HA ASN 596 -14.306 -13.836 10.358 510 HB2 ASN 596 2HB ASN 596 -11.957 -12.506 10.918 511 HB3 ASN 596 3HB ASN 596 -12.372 -14.117 11.231 512 HD21 ASN 596 HD21 ASN 596 -9.923 -13.716 11.358 513 HD22 ASN 596 HD22 ASN 596 -9.037 -14.356 9.984 514 H LYS 597 H LYS 597 -14.048 -12.059 11.779 515 HA LYS 597 HA LYS 597 -15.590 -9.789 10.694 516 HB2 LYS 597 2HB LYS 597 -16.854 -9.789 12.694 517 HB3 LYS 597 3HB LYS 597 -16.789 -11.348 11.987 518 HG2 LYS 597 2HG LYS 597 -15.375 -10.330 14.488 519 HG3 LYS 597 3HG LYS 597 -16.680 -11.488 14.448 520 HD2 LYS 597 2HD LYS 597 -13.792 -11.945 13.615 521 HD3 LYS 597 3HD LYS 597 -14.577 -12.561 15.042 522 HE2 LYS 597 2HE LYS 597 -15.457 -13.322 12.221 523 HE3 LYS 597 3HE LYS 597 -14.256 -14.225 13.149 524 HZ1 LYS 597 3HZ LYS 597 -17.088 -13.779 13.982 525 HZ2 LYS 597 1HZ LYS 597 -15.958 -14.629 14.842 526 HZ3 LYS 597 2HZ LYS 597 -16.475 -15.153 13.371 527 H GLU 598 H GLU 598 -15.900 -8.058 12.393 528 HA GLU 598 HA GLU 598 -13.937 -7.004 11.128 529 HB2 GLU 598 2HB GLU 598 -14.794 -4.738 11.636 530 HB3 GLU 598 3HB GLU 598 -16.055 -5.910 11.266 531 HG2 GLU 598 2HG GLU 598 -16.724 -6.065 13.581 532 HG3 GLU 598 3HG GLU 598 -15.307 -5.169 14.121 533 H MET 599 H MET 599 -12.181 -5.548 11.357 534 HA MET 599 HA MET 599 -11.036 -5.095 14.102 535 HB2 MET 599 2HB MET 599 -9.554 -5.639 11.512 536 HB3 MET 599 3HB MET 599 -8.801 -5.102 13.016 537 HG2 MET 599 2HG MET 599 -9.542 -7.086 14.171 538 HG3 MET 599 3HG MET 599 -10.394 -7.665 12.732 539 HE1 MET 599 3HE MET 599 -9.328 -8.717 10.630 540 HE2 MET 599 1HE MET 599 -8.476 -7.197 10.263 541 HE3 MET 599 2HE MET 599 -7.589 -8.731 10.283 542 H LYS 600 H LYS 600 -10.839 -3.053 14.655 543 HA LYS 600 HA LYS 600 -11.021 -0.916 12.697 544 HB2 LYS 600 2HB LYS 600 -11.849 -1.252 15.356 545 HB3 LYS 600 3HB LYS 600 -10.425 -0.246 15.531 546 HG2 LYS 600 2HG LYS 600 -12.182 1.264 15.274 547 HG3 LYS 600 3HG LYS 600 -11.384 1.218 13.691 548 HD2 LYS 600 2HD LYS 600 -13.809 1.333 13.490 549 HD3 LYS 600 3HD LYS 600 -13.103 -0.109 12.756 550 HE2 LYS 600 2HE LYS 600 -13.871 -1.508 14.587 551 HE3 LYS 600 3HE LYS 600 -14.411 -0.094 15.512 552 HZ1 LYS 600 3HZ LYS 600 -16.162 -1.380 14.162 553 HZ2 LYS 600 1HZ LYS 600 -15.505 -0.687 12.839 554 HZ3 LYS 600 2HZ LYS 600 -16.162 0.270 13.991 555 H LEU 601 H LEU 601 -9.353 -0.067 11.689 556 HA LEU 601 HA LEU 601 -6.621 -0.088 12.931 557 HB2 LEU 601 2HB LEU 601 -7.509 -0.759 10.131 558 HB3 LEU 601 3HB LEU 601 -5.980 0.069 10.358 559 HG LEU 601 HG LEU 601 -5.166 -1.751 11.819 560 HD11 LEU 601 1HD1 LEU 601 -7.816 -3.071 11.105 561 HD12 LEU 601 2HD1 LEU 601 -7.142 -2.771 12.723 562 HD13 LEU 601 3HD1 LEU 601 -6.392 -3.970 11.678 563 HD21 LEU 601 3HD2 LEU 601 -6.178 -2.601 9.070 564 HD22 LEU 601 1HD2 LEU 601 -4.871 -3.389 9.983 565 HD23 LEU 601 2HD2 LEU 601 -4.674 -1.733 9.416 566 H SER 602 H SER 602 -5.248 1.667 12.370 567 HA SER 602 HA SER 602 -6.729 4.251 12.112 568 HB2 SER 602 2HB SER 602 -5.013 5.084 13.752 569 HB3 SER 602 3HB SER 602 -6.130 3.877 14.397 570 HG SER 602 HG SER 602 -3.699 3.672 14.780 571 H ASP 603 H ASP 603 -5.243 6.157 11.707 572 HA ASP 603 HA ASP 603 -3.747 5.931 9.341 573 HB2 ASP 603 2HB ASP 603 -2.888 8.182 9.894 574 HB3 ASP 603 3HB ASP 603 -4.638 7.982 9.965 575 H GLY 604 H GLY 604 -1.656 5.753 8.791 576 HA2 GLY 604 2HA GLY 604 0.598 5.163 9.075 577 HA3 GLY 604 3HA GLY 604 0.333 4.858 10.791 578 H SER 605 H SER 605 -2.174 3.215 9.602 579 HA SER 605 HA SER 605 -0.848 0.610 9.368 580 HB2 SER 605 2HB SER 605 -3.712 1.540 9.048 581 HB3 SER 605 3HB SER 605 -3.195 -0.158 8.961 582 HG SER 605 HG SER 605 -2.758 1.574 11.183 583 H TYR 606 H TYR 606 -1.220 -0.827 7.517 584 HA TYR 606 HA TYR 606 -1.650 0.484 4.903 585 HB2 TYR 606 2HB TYR 606 0.522 -0.017 4.062 586 HB3 TYR 606 3HB TYR 606 0.659 1.008 5.464 587 HD1 TYR 606 HD2 TYR 606 1.098 -2.516 4.300 588 HD2 TYR 606 HD1 TYR 606 2.011 0.439 7.312 589 HE1 TYR 606 HE2 TYR 606 2.797 -4.032 5.260 590 HE2 TYR 606 HE1 TYR 606 3.761 -1.078 8.252 591 HH TYR 606 HH TYR 606 4.296 -4.369 6.927 592 H PHE 607 H PHE 607 -2.046 -0.772 3.160 593 HA PHE 607 HA PHE 607 -1.892 -3.710 3.254 594 HB2 PHE 607 2HB PHE 607 -4.494 -3.799 2.836 595 HB3 PHE 607 3HB PHE 607 -3.799 -3.777 4.432 596 HD1 PHE 607 2HD PHE 607 -4.733 -1.114 1.929 597 HD2 PHE 607 1HD PHE 607 -5.098 -2.623 5.942 598 HE1 PHE 607 2HE PHE 607 -6.176 0.828 2.527 599 HE2 PHE 607 1HE PHE 607 -6.512 -0.687 6.541 600 HZ PHE 607 HZ PHE 607 -7.034 1.062 4.847 601 H GLY 608 H GLY 608 -3.408 -4.591 1.338 602 HA2 GLY 608 2HA GLY 608 -3.427 -3.476 -1.223 603 HA3 GLY 608 3HA GLY 608 -1.736 -3.880 -0.936 604 H GLU 609 H GLU 609 -1.511 -5.587 -2.405 605 HA GLU 609 HA GLU 609 -3.372 -7.851 -2.409 606 HB2 GLU 609 2HB GLU 609 -1.881 -6.830 -4.367 607 HB3 GLU 609 3HB GLU 609 -0.674 -7.948 -3.726 608 HG2 GLU 609 2HG GLU 609 -2.551 -9.753 -3.978 609 HG3 GLU 609 3HG GLU 609 -3.424 -8.547 -4.897 610 H ILE 610 H ILE 610 -1.521 -10.009 -2.641 611 HA ILE 610 HA ILE 610 -1.246 -10.835 0.100 612 HB ILE 610 HB ILE 610 -0.571 -11.939 -2.623 613 HG12 ILE 610 2HG1 ILE 610 -2.383 -12.904 -0.420 614 HG13 ILE 610 3HG1 ILE 610 -2.907 -11.858 -1.736 615 HG21 ILE 610 1HG2 ILE 610 0.210 -14.034 -1.714 616 HG22 ILE 610 2HG2 ILE 610 1.278 -12.752 -1.193 617 HG23 ILE 610 3HG2 ILE 610 0.077 -13.410 -0.050 618 HD11 ILE 610 3HD1 ILE 610 -2.298 -13.647 -3.368 619 HD12 ILE 610 1HD1 ILE 610 -1.930 -14.722 -2.004 620 HD13 ILE 610 2HD1 ILE 610 -3.574 -14.113 -2.228 621 H CYS 611 H CYS 611 1.221 -9.877 -2.343 622 HA CYS 611 HA CYS 611 2.671 -8.458 -0.264 623 HB2 CYS 611 2HB CYS 611 3.562 -10.823 -0.119 624 HB3 CYS 611 3HB CYS 611 4.129 -10.662 -1.789 625 HG CYS 611 HG CYS 611 6.082 -10.395 0.064 626 H LEU 612 H LEU 612 4.252 -6.938 -1.229 627 HA LEU 612 HA LEU 612 3.659 -5.846 -3.814 628 HB2 LEU 612 2HB LEU 612 5.194 -5.189 -1.584 629 HB3 LEU 612 3HB LEU 612 6.444 -5.520 -2.766 630 HG LEU 612 HG LEU 612 4.137 -3.583 -3.263 631 HD11 LEU 612 1HD1 LEU 612 5.683 -1.776 -2.623 632 HD12 LEU 612 2HD1 LEU 612 6.917 -2.970 -2.175 633 HD13 LEU 612 3HD1 LEU 612 5.393 -2.865 -1.260 634 HD21 LEU 612 3HD2 LEU 612 6.917 -3.766 -4.501 635 HD22 LEU 612 1HD2 LEU 612 5.688 -2.556 -4.910 636 HD23 LEU 612 2HD2 LEU 612 5.421 -4.276 -5.287 637 H LEU 613 H LEU 613 5.597 -8.618 -2.979 638 HA LEU 613 HA LEU 613 6.944 -8.886 -5.554 639 HB2 LEU 613 2HB LEU 613 6.566 -10.743 -3.143 640 HB3 LEU 613 3HB LEU 613 7.401 -11.211 -4.615 641 HG LEU 613 HG LEU 613 8.683 -8.925 -4.218 642 HD11 LEU 613 1HD1 LEU 613 9.277 -8.644 -1.827 643 HD12 LEU 613 2HD1 LEU 613 8.064 -9.851 -1.388 644 HD13 LEU 613 3HD1 LEU 613 7.568 -8.305 -2.114 645 HD21 LEU 613 3HD2 LEU 613 10.495 -10.241 -3.121 646 HD22 LEU 613 1HD2 LEU 613 9.751 -11.153 -4.439 647 HD23 LEU 613 2HD2 LEU 613 9.332 -11.525 -2.746 648 H THR 614 H THR 614 3.823 -9.810 -4.396 649 HA THR 614 HA THR 614 3.481 -11.953 -6.436 650 HB THR 614 HB THR 614 1.334 -12.459 -5.425 651 HG1 THR 614 1HG THR 614 0.543 -10.565 -4.777 652 HG21 THR 614 1HG2 THR 614 3.363 -12.084 -3.215 653 HG22 THR 614 2HG2 THR 614 3.441 -13.372 -4.433 654 HG23 THR 614 3HG2 THR 614 2.061 -13.283 -3.336 655 H ARG 615 H ARG 615 1.645 -12.059 -7.869 656 HA ARG 615 HA ARG 615 0.048 -9.612 -8.263 657 HB2 ARG 615 2HB ARG 615 1.457 -11.014 -10.582 658 HB3 ARG 615 3HB ARG 615 0.243 -9.741 -10.721 659 HG2 ARG 615 2HG ARG 615 1.800 -8.158 -9.574 660 HG3 ARG 615 3HG ARG 615 3.013 -9.450 -9.514 661 HD2 ARG 615 2HD ARG 615 3.552 -8.070 -11.381 662 HD3 ARG 615 3HD ARG 615 2.969 -9.613 -11.988 663 HE ARG 615 HE ARG 615 1.115 -8.583 -12.944 664 HH11 ARG 615 1HH1 ARG 615 2.939 -6.137 -11.237 665 HH12 ARG 615 2HH1 ARG 615 2.052 -4.874 -12.019 666 HH21 ARG 615 1HH2 ARG 615 -0.159 -6.921 -13.599 667 HH22 ARG 615 2HH2 ARG 615 0.132 -5.320 -12.969 668 H GLY 616 H GLY 616 -2.054 -10.227 -8.180 669 HA2 GLY 616 2HA GLY 616 -3.261 -12.246 -9.812 670 HA3 GLY 616 3HA GLY 616 -2.975 -12.902 -8.208 671 H ARG 617 H ARG 617 -5.593 -12.490 -9.376 672 HA ARG 617 HA ARG 617 -6.827 -10.110 -8.293 673 HB2 ARG 617 2HB ARG 617 -7.873 -12.697 -9.492 674 HB3 ARG 617 3HB ARG 617 -8.962 -11.464 -8.847 675 HG2 ARG 617 2HG ARG 617 -8.062 -9.773 -10.311 676 HG3 ARG 617 3HG ARG 617 -6.798 -10.858 -10.879 677 HD2 ARG 617 2HD ARG 617 -8.516 -10.642 -12.563 678 HD3 ARG 617 3HD ARG 617 -8.485 -12.300 -11.945 679 HE ARG 617 HE ARG 617 -10.430 -10.565 -10.585 680 HH11 ARG 617 1HH1 ARG 617 -10.117 -12.270 -13.610 681 HH12 ARG 617 2HH1 ARG 617 -11.828 -12.654 -13.641 682 HH21 ARG 617 1HH2 ARG 617 -12.389 -11.246 -10.520 683 HH22 ARG 617 2HH2 ARG 617 -13.123 -12.110 -11.874 684 H ARG 618 H ARG 618 -5.943 -10.161 -6.210 685 HA ARG 618 HA ARG 618 -6.851 -11.918 -4.100 686 HB2 ARG 618 2HB ARG 618 -4.872 -10.573 -3.826 687 HB3 ARG 618 3HB ARG 618 -5.752 -9.092 -4.179 688 HG2 ARG 618 2HG ARG 618 -5.200 -9.158 -1.873 689 HG3 ARG 618 3HG ARG 618 -6.945 -9.230 -2.038 690 HD2 ARG 618 2HD ARG 618 -7.033 -11.492 -1.287 691 HD3 ARG 618 3HD ARG 618 -5.334 -11.773 -1.671 692 HE ARG 618 HE ARG 618 -4.847 -11.183 0.508 693 HH11 ARG 618 1HH1 ARG 618 -8.022 -9.797 0.062 694 HH12 ARG 618 2HH1 ARG 618 -7.774 -8.747 1.453 695 HH21 ARG 618 1HH2 ARG 618 -4.662 -9.652 2.179 696 HH22 ARG 618 2HH2 ARG 618 -6.149 -8.811 2.613 697 H THR 619 H THR 619 -8.792 -12.075 -3.131 698 HA THR 619 HA THR 619 -10.821 -9.941 -3.550 699 HB THR 619 HB THR 619 -12.452 -11.442 -2.602 700 HG1 THR 619 1HG THR 619 -11.656 -13.714 -2.432 701 HG21 THR 619 1HG2 THR 619 -11.888 -11.544 -5.055 702 HG22 THR 619 2HG2 THR 619 -12.572 -13.028 -4.413 703 HG23 THR 619 3HG2 THR 619 -10.820 -12.921 -4.712 704 H ALA 620 H ALA 620 -11.829 -8.828 -1.900 705 HA ALA 620 HA ALA 620 -10.587 -8.851 0.787 706 HB1 ALA 620 1HB ALA 620 -10.398 -6.533 -1.177 707 HB2 ALA 620 2HB ALA 620 -9.821 -6.512 0.508 708 HB3 ALA 620 3HB ALA 620 -9.035 -7.560 -0.688 709 H SER 621 H SER 621 -11.587 -7.284 2.248 710 HA SER 621 HA SER 621 -14.000 -5.807 1.413 711 HB2 SER 621 2HB SER 621 -14.113 -8.173 3.328 712 HB3 SER 621 3HB SER 621 -15.370 -6.923 3.244 713 HG SER 621 HG SER 621 -14.553 -8.078 0.842 714 H VAL 622 H VAL 622 -12.625 -4.013 2.049 715 HA VAL 622 HA VAL 622 -12.840 -3.545 4.989 716 HB VAL 622 HB VAL 622 -10.606 -4.185 4.775 717 HG11 VAL 622 1HG1 VAL 622 -10.285 -2.298 2.437 718 HG12 VAL 622 2HG1 VAL 622 -8.955 -3.121 3.279 719 HG13 VAL 622 3HG1 VAL 622 -10.163 -4.071 2.417 720 HG21 VAL 622 3HG2 VAL 622 -10.616 -1.144 4.790 721 HG22 VAL 622 1HG2 VAL 622 -10.969 -2.215 6.169 722 HG23 VAL 622 2HG2 VAL 622 -9.358 -2.210 5.435 723 H ARG 623 H ARG 623 -13.565 -1.615 5.617 724 HA ARG 623 HA ARG 623 -14.158 0.401 3.501 725 HB2 ARG 623 2HB ARG 623 -16.401 0.628 4.341 726 HB3 ARG 623 3HB ARG 623 -16.089 -1.045 3.923 727 HG2 ARG 623 2HG ARG 623 -15.423 -0.822 6.705 728 HG3 ARG 623 3HG ARG 623 -16.892 0.128 6.473 729 HD2 ARG 623 2HD ARG 623 -17.882 -1.870 5.270 730 HD3 ARG 623 3HD ARG 623 -16.450 -2.787 5.715 731 HE ARG 623 HE ARG 623 -17.171 -2.906 7.950 732 HH11 ARG 623 1HH1 ARG 623 -19.435 -0.739 6.279 733 HH12 ARG 623 2HH1 ARG 623 -20.518 -0.832 7.672 734 HH21 ARG 623 1HH2 ARG 623 -18.633 -2.930 9.486 735 HH22 ARG 623 2HH2 ARG 623 -20.115 -1.961 9.365 736 H ALA 624 H ALA 624 -14.557 2.468 3.993 737 HA ALA 624 HA ALA 624 -12.765 3.619 5.931 738 HB1 ALA 624 1HB ALA 624 -13.284 4.544 3.677 739 HB2 ALA 624 2HB ALA 624 -14.949 4.849 4.199 740 HB3 ALA 624 3HB ALA 624 -13.596 5.708 4.963 741 H ASP 625 H ASP 625 -13.158 3.942 8.090 742 HA ASP 625 HA ASP 625 -15.879 3.707 9.183 743 HB2 ASP 625 2HB ASP 625 -13.211 3.500 10.236 744 HB3 ASP 625 3HB ASP 625 -13.950 4.846 11.049 745 H THR 626 H THR 626 -13.737 6.140 8.099 746 HA THR 626 HA THR 626 -15.625 8.358 8.741 747 HB THR 626 HB THR 626 -14.227 8.367 10.654 748 HG1 THR 626 1HG THR 626 -13.187 10.418 10.328 749 HG21 THR 626 1HG2 THR 626 -11.766 8.563 10.538 750 HG22 THR 626 2HG2 THR 626 -11.831 8.261 8.782 751 HG23 THR 626 3HG2 THR 626 -12.359 7.002 9.941 752 H TYR 627 H TYR 627 -14.360 10.465 7.698 753 HA TYR 627 HA TYR 627 -14.039 9.963 4.825 754 HB2 TYR 627 2HB TYR 627 -15.123 11.967 5.638 755 HB3 TYR 627 3HB TYR 627 -13.768 12.360 6.632 756 HD1 TYR 627 HD2 TYR 627 -11.616 13.250 5.580 757 HD2 TYR 627 HD1 TYR 627 -15.318 12.790 3.429 758 HE1 TYR 627 HE2 TYR 627 -10.870 14.961 3.924 759 HE2 TYR 627 HE1 TYR 627 -14.551 14.488 1.762 760 HH TYR 627 HH TYR 627 -11.495 16.285 2.142 761 H CYS 628 H CYS 628 -12.292 8.636 4.465 762 HA CYS 628 HA CYS 628 -9.879 8.967 6.152 763 HB2 CYS 628 2HB CYS 628 -9.471 6.667 5.907 764 HB3 CYS 628 3HB CYS 628 -11.144 6.760 6.118 765 HG CYS 628 HG CYS 628 -10.032 6.943 3.068 766 H ARG 629 H ARG 629 -8.148 9.850 5.461 767 HA ARG 629 HA ARG 629 -7.612 10.496 2.622 768 HB2 ARG 629 2HB ARG 629 -6.163 11.117 5.245 769 HB3 ARG 629 3HB ARG 629 -5.626 11.659 3.673 770 HG2 ARG 629 2HG ARG 629 -8.461 12.363 4.286 771 HG3 ARG 629 3HG ARG 629 -7.295 13.055 5.413 772 HD2 ARG 629 2HD ARG 629 -6.956 13.240 2.400 773 HD3 ARG 629 3HD ARG 629 -7.886 14.404 3.330 774 HE ARG 629 HE ARG 629 -5.165 13.956 4.367 775 HH11 ARG 629 1HH1 ARG 629 -6.950 15.877 2.033 776 HH12 ARG 629 2HH1 ARG 629 -5.688 17.060 1.911 777 HH21 ARG 629 1HH2 ARG 629 -3.746 15.600 4.366 778 HH22 ARG 629 2HH2 ARG 629 -3.739 16.706 2.993 779 H LEU 630 H LEU 630 -6.776 8.973 1.440 780 HA LEU 630 HA LEU 630 -4.802 7.066 2.676 781 HB2 LEU 630 2HB LEU 630 -6.653 6.433 0.370 782 HB3 LEU 630 3HB LEU 630 -5.565 5.344 1.219 783 HG LEU 630 HG LEU 630 -8.179 6.529 2.210 784 HD11 LEU 630 1HD1 LEU 630 -8.324 4.488 0.820 785 HD12 LEU 630 2HD1 LEU 630 -8.785 4.169 2.498 786 HD13 LEU 630 3HD1 LEU 630 -7.186 3.655 1.899 787 HD21 LEU 630 3HD2 LEU 630 -7.900 5.290 4.326 788 HD22 LEU 630 1HD2 LEU 630 -6.683 6.539 4.178 789 HD23 LEU 630 2HD2 LEU 630 -6.236 4.853 3.844 790 H TYR 631 H TYR 631 -3.135 6.284 1.333 791 HA TYR 631 HA TYR 631 -2.444 7.932 -1.064 792 HB2 TYR 631 2HB TYR 631 -0.496 8.080 -0.175 793 HB3 TYR 631 3HB TYR 631 -0.858 7.084 1.153 794 HD1 TYR 631 HD1 TYR 631 -1.069 4.297 -0.271 795 HD2 TYR 631 HD2 TYR 631 1.812 7.489 -0.198 796 HE1 TYR 631 HE1 TYR 631 0.688 2.709 -0.862 797 HE2 TYR 631 HE2 TYR 631 3.614 5.850 -0.680 798 HH TYR 631 HH TYR 631 4.112 3.636 -1.104 799 H SER 632 H SER 632 -1.827 6.796 -3.060 800 HA SER 632 HA SER 632 -2.185 3.890 -3.007 801 HB2 SER 632 2HB SER 632 -3.676 3.818 -4.954 802 HB3 SER 632 3HB SER 632 -4.408 4.506 -3.502 803 HG SER 632 HG SER 632 -5.012 5.938 -4.905 804 H LEU 633 H LEU 633 -0.759 2.836 -4.117 805 HA LEU 633 HA LEU 633 0.845 4.138 -6.280 806 HB2 LEU 633 2HB LEU 633 1.686 4.378 -3.807 807 HB3 LEU 633 3HB LEU 633 2.066 2.670 -3.913 808 HG LEU 633 HG LEU 633 3.236 4.977 -5.517 809 HD11 LEU 633 1HD1 LEU 633 4.093 4.698 -3.239 810 HD12 LEU 633 2HD1 LEU 633 5.333 4.279 -4.432 811 HD13 LEU 633 3HD1 LEU 633 4.470 2.991 -3.573 812 HD21 LEU 633 3HD2 LEU 633 4.833 3.305 -6.488 813 HD22 LEU 633 1HD2 LEU 633 3.189 3.132 -7.075 814 HD23 LEU 633 2HD2 LEU 633 3.807 2.002 -5.843 815 H SER 634 H SER 634 0.929 2.746 -8.009 816 HA SER 634 HA SER 634 0.205 -0.081 -7.755 817 HB2 SER 634 2HB SER 634 -0.443 1.173 -9.730 818 HB3 SER 634 3HB SER 634 1.258 1.516 -10.098 819 HG SER 634 HG SER 634 0.342 -0.278 -11.258 820 H VAL 635 H VAL 635 1.490 -1.938 -7.967 821 HA VAL 635 HA VAL 635 4.281 -1.605 -7.244 822 HB VAL 635 HB VAL 635 4.614 -3.859 -7.245 823 HG11 VAL 635 1HG1 VAL 635 2.928 -4.707 -5.795 824 HG12 VAL 635 2HG1 VAL 635 3.092 -2.966 -5.491 825 HG13 VAL 635 3HG1 VAL 635 1.705 -3.582 -6.430 826 HG21 VAL 635 3HG2 VAL 635 3.804 -4.653 -9.340 827 HG22 VAL 635 1HG2 VAL 635 3.106 -5.588 -8.000 828 HG23 VAL 635 2HG2 VAL 635 2.104 -4.370 -8.839 829 H ASP 636 H ASP 636 2.689 -1.545 -10.337 830 HA ASP 636 HA ASP 636 5.000 -2.255 -11.922 831 HB2 ASP 636 2HB ASP 636 2.711 -0.322 -12.480 832 HB3 ASP 636 3HB ASP 636 3.915 -0.822 -13.660 833 H ASN 637 H ASN 637 3.935 0.713 -10.300 834 HA ASN 637 HA ASN 637 6.135 2.428 -11.191 835 HB2 ASN 637 2HB ASN 637 3.832 2.756 -9.239 836 HB3 ASN 637 3HB ASN 637 4.999 4.005 -9.618 837 HD21 ASN 637 HD21 ASN 637 5.251 4.533 -12.043 838 HD22 ASN 637 HD22 ASN 637 3.729 4.563 -12.916 839 H PHE 638 H PHE 638 5.689 0.240 -8.460 840 HA PHE 638 HA PHE 638 8.068 0.980 -6.935 841 HB2 PHE 638 2HB PHE 638 6.235 -0.272 -5.981 842 HB3 PHE 638 3HB PHE 638 6.601 -1.626 -7.047 843 HD1 PHE 638 2HD PHE 638 7.791 0.373 -4.168 844 HD2 PHE 638 1HD PHE 638 8.601 -3.022 -6.703 845 HE1 PHE 638 2HE PHE 638 9.489 -0.449 -2.545 846 HE2 PHE 638 1HE PHE 638 10.258 -3.856 -5.046 847 HZ PHE 638 HZ PHE 638 10.706 -2.560 -2.979 848 H ASN 639 H ASN 639 7.323 -1.608 -9.350 849 HA ASN 639 HA ASN 639 10.045 -2.543 -9.540 850 HB2 ASN 639 2HB ASN 639 7.525 -2.994 -11.195 851 HB3 ASN 639 3HB ASN 639 9.047 -3.782 -11.557 852 HD21 ASN 639 HD21 ASN 639 6.366 -3.831 -9.234 853 HD22 ASN 639 HD22 ASN 639 6.908 -5.385 -8.629 854 H GLU 640 H GLU 640 8.349 0.022 -11.174 855 HA GLU 640 HA GLU 640 10.258 0.619 -13.235 856 HB2 GLU 640 2HB GLU 640 8.163 1.529 -13.568 857 HB3 GLU 640 3HB GLU 640 7.930 1.833 -11.857 858 HG2 GLU 640 2HG GLU 640 9.224 3.768 -11.850 859 HG3 GLU 640 3HG GLU 640 9.625 3.616 -13.592 860 H VAL 641 H VAL 641 9.922 1.811 -9.881 861 HA VAL 641 HA VAL 641 12.210 3.612 -10.159 862 HB VAL 641 HB VAL 641 10.373 4.266 -8.813 863 HG11 VAL 641 1HG1 VAL 641 10.994 1.993 -6.909 864 HG12 VAL 641 2HG1 VAL 641 9.862 3.333 -6.629 865 HG13 VAL 641 3HG1 VAL 641 9.550 2.201 -7.919 866 HG21 VAL 641 3HG2 VAL 641 12.743 3.825 -6.945 867 HG22 VAL 641 1HG2 VAL 641 12.658 5.104 -8.181 868 HG23 VAL 641 2HG2 VAL 641 11.510 5.073 -6.815 869 H LEU 642 H LEU 642 11.785 0.354 -8.894 870 HA LEU 642 HA LEU 642 14.295 -0.086 -7.672 871 HB2 LEU 642 2HB LEU 642 12.549 -1.805 -9.495 872 HB3 LEU 642 3HB LEU 642 14.094 -2.406 -8.935 873 HG LEU 642 HG LEU 642 11.768 -1.665 -7.126 874 HD11 LEU 642 1HD1 LEU 642 11.774 -4.124 -6.710 875 HD12 LEU 642 2HD1 LEU 642 13.081 -4.327 -7.887 876 HD13 LEU 642 3HD1 LEU 642 11.482 -3.779 -8.418 877 HD21 LEU 642 3HD2 LEU 642 14.480 -2.892 -6.488 878 HD22 LEU 642 1HD2 LEU 642 13.137 -2.652 -5.343 879 HD23 LEU 642 2HD2 LEU 642 13.977 -1.264 -6.019 880 H GLU 643 H GLU 643 13.620 0.016 -11.151 881 HA GLU 643 HA GLU 643 16.107 -0.859 -12.081 882 HB2 GLU 643 2HB GLU 643 14.031 1.024 -13.258 883 HB3 GLU 643 3HB GLU 643 15.308 0.302 -14.210 884 HG2 GLU 643 2HG GLU 643 13.470 -1.493 -12.571 885 HG3 GLU 643 3HG GLU 643 12.925 -0.806 -14.072 886 H GLU 644 H GLU 644 15.453 2.322 -10.696 887 HA GLU 644 HA GLU 644 17.749 3.650 -11.889 888 HB2 GLU 644 2HB GLU 644 15.843 4.192 -9.609 889 HB3 GLU 644 3HB GLU 644 17.107 5.298 -10.101 890 HG2 GLU 644 2HG GLU 644 15.113 4.248 -12.170 891 HG3 GLU 644 3HG GLU 644 14.649 5.455 -11.027 892 H TYR 645 H TYR 645 17.347 1.437 -9.337 893 HA TYR 645 HA TYR 645 19.913 2.166 -7.980 894 HB2 TYR 645 2HB TYR 645 17.316 1.206 -6.743 895 HB3 TYR 645 3HB TYR 645 18.838 1.438 -5.886 896 HD1 TYR 645 HD1 TYR 645 19.689 3.697 -5.393 897 HD2 TYR 645 HD2 TYR 645 16.002 3.097 -7.535 898 HE1 TYR 645 HE1 TYR 645 19.100 6.085 -5.050 899 HE2 TYR 645 HE2 TYR 645 15.437 5.497 -7.268 900 HH TYR 645 HH TYR 645 17.703 7.755 -5.617 901 HA PRO 646 HA PRO 646 19.875 -2.008 -10.012 902 HB2 PRO 646 2HB PRO 646 22.684 -2.172 -10.319 903 HB3 PRO 646 3HB PRO 646 21.460 -1.627 -11.506 904 HG2 PRO 646 2HG PRO 646 23.103 0.026 -9.587 905 HG3 PRO 646 3HG PRO 646 22.758 0.350 -11.319 906 HD2 PRO 646 2HD PRO 646 21.342 1.642 -9.458 907 HD3 PRO 646 3HD PRO 646 20.479 0.908 -10.832 908 H MET 647 H MET 647 21.627 -1.233 -6.948 909 HA MET 647 HA MET 647 22.012 -4.100 -6.438 910 HB2 MET 647 2HB MET 647 22.636 -3.572 -4.202 911 HB3 MET 647 3HB MET 647 23.592 -2.670 -5.391 912 HG2 MET 647 2HG MET 647 22.408 -0.699 -4.969 913 HG3 MET 647 3HG MET 647 21.105 -1.486 -4.164 914 HE1 MET 647 3HE MET 647 20.820 -0.040 -2.459 915 HE2 MET 647 1HE MET 647 20.681 -1.731 -1.937 916 HE3 MET 647 2HE MET 647 21.441 -0.525 -0.847 917 H MET 648 H MET 648 19.522 -1.689 -5.800 918 HA MET 648 HA MET 648 17.939 -3.381 -3.994 919 HB2 MET 648 2HB MET 648 17.287 -0.814 -5.488 920 HB3 MET 648 3HB MET 648 16.209 -1.585 -4.332 921 HG2 MET 648 2HG MET 648 18.974 -0.830 -3.426 922 HG3 MET 648 3HG MET 648 17.815 0.446 -3.732 923 HE1 MET 648 3HE MET 648 17.272 -2.710 -0.367 924 HE2 MET 648 1HE MET 648 16.907 -3.149 -2.045 925 HE3 MET 648 2HE MET 648 18.578 -2.750 -1.568 926 H ARG 649 H ARG 649 17.930 -2.436 -7.446 927 HA ARG 649 HA ARG 649 15.770 -3.962 -8.409 928 HB2 ARG 649 2HB ARG 649 17.644 -2.408 -9.548 929 HB3 ARG 649 3HB ARG 649 18.409 -3.945 -9.901 930 HG2 ARG 649 2HG ARG 649 15.658 -2.988 -10.766 931 HG3 ARG 649 3HG ARG 649 17.107 -3.153 -11.755 932 HD2 ARG 649 2HD ARG 649 16.986 -5.677 -11.299 933 HD3 ARG 649 3HD ARG 649 15.401 -5.385 -10.591 934 HE ARG 649 HE ARG 649 15.413 -4.042 -13.072 935 HH11 ARG 649 1HH1 ARG 649 15.991 -7.413 -12.396 936 HH12 ARG 649 2HH1 ARG 649 14.834 -7.950 -13.596 937 HH21 ARG 649 1HH2 ARG 649 14.183 -4.727 -14.710 938 HH22 ARG 649 2HH2 ARG 649 14.008 -6.443 -15.024 939 H ARG 650 H ARG 650 19.164 -5.103 -8.072 940 HA ARG 650 HA ARG 650 18.770 -7.810 -8.576 941 HB2 ARG 650 2HB ARG 650 20.928 -6.841 -8.544 942 HB3 ARG 650 3HB ARG 650 20.787 -6.293 -6.886 943 HG2 ARG 650 2HG ARG 650 20.589 -9.249 -7.399 944 HG3 ARG 650 3HG ARG 650 22.155 -8.485 -7.624 945 HD2 ARG 650 2HD ARG 650 20.562 -8.274 -5.029 946 HD3 ARG 650 3HD ARG 650 21.825 -9.472 -5.335 947 HE ARG 650 HE ARG 650 23.148 -7.172 -5.925 948 HH11 ARG 650 1HH1 ARG 650 21.397 -7.992 -2.948 949 HH12 ARG 650 2HH1 ARG 650 22.291 -6.762 -2.074 950 HH21 ARG 650 1HH2 ARG 650 24.259 -5.884 -4.752 951 HH22 ARG 650 2HH2 ARG 650 23.918 -5.615 -3.046 952 H ALA 651 H ALA 651 18.491 -6.150 -5.412 953 HA ALA 651 HA ALA 651 18.165 -8.363 -3.764 954 HB1 ALA 651 1HB ALA 651 18.462 -5.910 -3.108 955 HB2 ALA 651 2HB ALA 651 16.728 -5.691 -3.460 956 HB3 ALA 651 3HB ALA 651 17.236 -6.788 -2.172 957 H PHE 652 H PHE 652 15.677 -7.018 -5.910 958 HA PHE 652 HA PHE 652 13.650 -8.879 -4.770 959 HB2 PHE 652 2HB PHE 652 13.505 -6.553 -6.694 960 HB3 PHE 652 3HB PHE 652 12.134 -7.639 -6.422 961 HD1 PHE 652 2HD PHE 652 11.035 -7.748 -4.168 962 HD2 PHE 652 1HD PHE 652 14.181 -4.986 -5.069 963 HE1 PHE 652 2HE PHE 652 10.461 -6.450 -2.120 964 HE2 PHE 652 1HE PHE 652 13.614 -3.649 -3.017 965 HZ PHE 652 HZ PHE 652 11.769 -4.412 -1.524 966 H GLU 653 H GLU 653 15.557 -8.577 -7.817 967 HA GLU 653 HA GLU 653 13.990 -10.681 -9.053 968 HB2 GLU 653 2HB GLU 653 15.779 -10.849 -10.726 969 HB3 GLU 653 3HB GLU 653 15.009 -9.268 -10.559 970 HG2 GLU 653 2HG GLU 653 16.795 -8.383 -9.368 971 HG3 GLU 653 3HG GLU 653 17.624 -9.937 -9.180 972 H THR 654 H THR 654 16.726 -10.653 -6.915 973 HA THR 654 HA THR 654 17.670 -13.352 -7.381 974 HB THR 654 HB THR 654 18.931 -11.332 -6.462 975 HG1 THR 654 1HG THR 654 20.001 -13.096 -6.526 976 HG21 THR 654 1HG2 THR 654 18.970 -10.961 -4.112 977 HG22 THR 654 2HG2 THR 654 17.899 -12.344 -3.791 978 HG23 THR 654 3HG2 THR 654 17.262 -10.898 -4.593 979 H VAL 655 H VAL 655 15.067 -12.099 -5.644 980 HA VAL 655 HA VAL 655 14.541 -14.608 -4.134 981 HB VAL 655 HB VAL 655 14.596 -12.568 -2.838 982 HG11 VAL 655 1HG1 VAL 655 14.075 -10.943 -4.398 983 HG12 VAL 655 2HG1 VAL 655 12.367 -11.499 -4.516 984 HG13 VAL 655 3HG1 VAL 655 12.997 -10.813 -3.005 985 HG21 VAL 655 3HG2 VAL 655 13.043 -14.431 -2.174 986 HG22 VAL 655 1HG2 VAL 655 12.514 -12.835 -1.628 987 HG23 VAL 655 2HG2 VAL 655 11.733 -13.589 -3.023 988 H ALA 656 H ALA 656 13.115 -12.421 -6.553 989 HA ALA 656 HA ALA 656 10.678 -13.729 -7.030 990 HB1 ALA 656 1HB ALA 656 11.336 -11.573 -8.044 991 HB2 ALA 656 2HB ALA 656 12.546 -12.401 -9.038 992 HB3 ALA 656 3HB ALA 656 10.824 -12.716 -9.292 993 H ILE 657 H ILE 657 13.887 -14.702 -8.196 994 HA ILE 657 HA ILE 657 12.928 -16.829 -9.923 995 HB ILE 657 HB ILE 657 14.999 -15.510 -10.212 996 HG12 ILE 657 2HG1 ILE 657 15.574 -18.494 -10.072 997 HG13 ILE 657 3HG1 ILE 657 14.521 -17.744 -11.280 998 HG21 ILE 657 1HG2 ILE 657 17.017 -15.974 -8.960 999 HG22 ILE 657 2HG2 ILE 657 15.763 -15.532 -7.808 1000 HG23 ILE 657 3HG2 ILE 657 16.216 -17.237 -8.011 1001 HD11 ILE 657 3HD1 ILE 657 16.371 -16.322 -12.057 1002 HD12 ILE 657 1HD1 ILE 657 17.469 -17.122 -10.902 1003 HD13 ILE 657 2HD1 ILE 657 16.728 -18.054 -12.213 1004 H ASP 658 H ASP 658 13.284 -16.615 -6.535 1005 HA ASP 658 HA ASP 658 14.057 -19.474 -6.157 1006 HB2 ASP 658 2HB ASP 658 15.659 -17.610 -5.669 1007 HB3 ASP 658 3HB ASP 658 14.530 -16.984 -4.472 1008 H ARG 659 H ARG 659 11.908 -16.916 -4.776 1009 HA ARG 659 HA ARG 659 11.065 -18.329 -2.523 1010 HB2 ARG 659 2HB ARG 659 9.726 -16.417 -2.217 1011 HB3 ARG 659 3HB ARG 659 11.108 -15.848 -3.081 1012 HG2 ARG 659 2HG ARG 659 9.817 -15.867 -5.214 1013 HG3 ARG 659 3HG ARG 659 8.407 -16.492 -4.351 1014 HD2 ARG 659 2HD ARG 659 8.250 -14.452 -3.008 1015 HD3 ARG 659 3HD ARG 659 9.703 -13.813 -3.787 1016 HE ARG 659 HE ARG 659 8.435 -13.170 -5.609 1017 HH11 ARG 659 1HH1 ARG 659 6.362 -15.578 -3.953 1018 HH12 ARG 659 2HH1 ARG 659 5.148 -15.344 -5.206 1019 HH21 ARG 659 1HH2 ARG 659 6.761 -13.009 -6.982 1020 HH22 ARG 659 2HH2 ARG 659 5.362 -14.061 -6.765 1021 H LEU 660 H LEU 660 9.829 -18.704 -5.763 1022 HA LEU 660 HA LEU 660 7.082 -19.201 -4.808 1023 HB2 LEU 660 2HB LEU 660 7.489 -17.518 -6.517 1024 HB3 LEU 660 3HB LEU 660 8.316 -18.692 -7.534 1025 HG LEU 660 HG LEU 660 6.183 -19.951 -7.819 1026 HD11 LEU 660 1HD1 LEU 660 4.055 -18.826 -7.229 1027 HD12 LEU 660 2HD1 LEU 660 4.955 -17.584 -6.340 1028 HD13 LEU 660 3HD1 LEU 660 4.966 -19.270 -5.784 1029 HD21 LEU 660 3HD2 LEU 660 5.171 -18.319 -9.337 1030 HD22 LEU 660 1HD2 LEU 660 6.939 -18.294 -9.445 1031 HD23 LEU 660 2HD2 LEU 660 6.086 -17.005 -8.561 1032 H ASP 661 H ASP 661 9.539 -20.919 -6.754 1033 HA ASP 661 HA ASP 661 7.882 -23.087 -7.462 1034 HB2 ASP 661 2HB ASP 661 10.079 -22.354 -8.492 1035 HB3 ASP 661 3HB ASP 661 10.894 -23.214 -7.177 1036 H ARG 662 H ARG 662 8.164 -25.329 -6.957 1037 HA ARG 662 HA ARG 662 7.059 -25.699 -4.412 1038 HB2 ARG 662 2HB ARG 662 6.387 -27.816 -5.218 1039 HB3 ARG 662 3HB ARG 662 6.343 -26.658 -6.548 1040 HG2 ARG 662 2HG ARG 662 8.649 -27.574 -7.245 1041 HG3 ARG 662 3HG ARG 662 8.364 -28.881 -6.089 1042 HD2 ARG 662 2HD ARG 662 6.647 -28.157 -8.500 1043 HD3 ARG 662 3HD ARG 662 7.740 -29.525 -8.378 1044 HE ARG 662 HE ARG 662 6.305 -30.542 -6.700 1045 HH11 ARG 662 1HH1 ARG 662 4.683 -28.023 -8.603 1046 HH12 ARG 662 2HH1 ARG 662 3.143 -28.800 -8.371 1047 HH21 ARG 662 1HH2 ARG 662 4.231 -31.323 -6.367 1048 HH22 ARG 662 2HH2 ARG 662 2.886 -30.396 -7.012 1049 H ILE 663 H ILE 663 10.139 -25.376 -4.374 1050 HA ILE 663 HA ILE 663 11.009 -27.745 -2.873 1051 HB ILE 663 HB ILE 663 12.527 -25.189 -3.452 1052 HG12 ILE 663 2HG1 ILE 663 12.028 -26.036 -5.624 1053 HG13 ILE 663 3HG1 ILE 663 13.710 -26.331 -5.233 1054 HG21 ILE 663 1HG2 ILE 663 13.533 -26.409 -1.632 1055 HG22 ILE 663 2HG2 ILE 663 13.421 -27.947 -2.520 1056 HG23 ILE 663 3HG2 ILE 663 14.518 -26.667 -3.061 1057 HD11 ILE 663 3HD1 ILE 663 11.500 -28.420 -5.116 1058 HD12 ILE 663 1HD1 ILE 663 12.713 -28.244 -6.399 1059 HD13 ILE 663 2HD1 ILE 663 13.224 -28.699 -4.764 1060 H GLY 664 H GLY 664 11.437 -27.675 -0.802 1061 HA2 GLY 664 2HA GLY 664 10.010 -25.837 0.985 1062 HA3 GLY 664 3HA GLY 664 10.989 -27.221 1.479 1063 H LYS 665 H LYS 665 10.820 -23.988 1.833 1064 HA LYS 665 HA LYS 665 13.632 -23.279 1.190 1065 HB2 LYS 665 2HB LYS 665 11.537 -21.426 2.203 1066 HB3 LYS 665 3HB LYS 665 13.003 -21.022 1.330 1067 HG2 LYS 665 2HG LYS 665 10.481 -22.348 0.240 1068 HG3 LYS 665 3HG LYS 665 11.044 -20.723 -0.099 1069 HD2 LYS 665 2HD LYS 665 12.547 -23.247 -0.942 1070 HD3 LYS 665 3HD LYS 665 11.386 -22.380 -1.949 1071 HE2 LYS 665 2HE LYS 665 12.739 -20.361 -1.909 1072 HE3 LYS 665 3HE LYS 665 13.887 -21.105 -0.781 1073 HZ1 LYS 665 3HZ LYS 665 14.577 -21.163 -3.173 1074 HZ2 LYS 665 1HZ LYS 665 13.354 -22.192 -3.490 1075 HZ3 LYS 665 2HZ LYS 665 14.574 -22.632 -2.476 1076 H LYS 666 H LYS 666 15.238 -23.105 2.698 1077 HA LYS 666 HA LYS 666 14.600 -23.624 5.506 1078 HB2 LYS 666 2HB LYS 666 16.891 -23.569 5.981 1079 HB3 LYS 666 3HB LYS 666 16.687 -24.456 4.479 1080 HG2 LYS 666 2HG LYS 666 17.563 -22.565 3.190 1081 HG3 LYS 666 3HG LYS 666 17.607 -21.543 4.646 1082 HD2 LYS 666 2HD LYS 666 19.220 -23.124 5.695 1083 HD3 LYS 666 3HD LYS 666 19.232 -24.081 4.203 1084 HE2 LYS 666 2HE LYS 666 20.105 -22.116 2.954 1085 HE3 LYS 666 3HE LYS 666 20.062 -21.160 4.444 1086 HZ1 LYS 666 3HZ LYS 666 22.272 -22.008 4.125 1087 HZ2 LYS 666 1HZ LYS 666 21.742 -23.557 3.961 1088 HZ3 LYS 666 2HZ LYS 666 21.628 -22.805 5.414 1089 H ASN 667 H ASN 667 15.137 -20.712 3.656 1090 HA ASN 667 HA ASN 667 15.352 -18.853 5.818 1091 HB2 ASN 667 2HB ASN 667 16.019 -18.344 3.521 1092 HB3 ASN 667 3HB ASN 667 14.367 -18.614 2.950 1093 HD21 ASN 667 HD21 ASN 667 13.987 -16.560 2.140 1094 HD22 ASN 667 HD22 ASN 667 13.782 -15.185 3.227 1095 H SER 668 H SER 668 13.919 -18.124 7.204 1096 HA SER 668 HA SER 668 11.043 -18.718 7.009 1097 HB2 SER 668 2HB SER 668 12.696 -17.351 9.164 1098 HB3 SER 668 3HB SER 668 10.984 -17.806 9.294 1099 HG SER 668 HG SER 668 13.282 -19.437 9.133 1100 H ILE 669 H ILE 669 9.837 -16.588 8.238 1101 HA ILE 669 HA ILE 669 9.360 -14.883 6.010 1102 HB ILE 669 HB ILE 669 7.752 -13.735 7.358 1103 HG12 ILE 669 2HG1 ILE 669 8.799 -15.275 9.769 1104 HG13 ILE 669 3HG1 ILE 669 9.066 -13.554 9.477 1105 HG21 ILE 669 1HG2 ILE 669 7.277 -15.998 6.414 1106 HG22 ILE 669 2HG2 ILE 669 7.708 -16.726 7.975 1107 HG23 ILE 669 3HG2 ILE 669 6.309 -15.641 7.843 1108 HD11 ILE 669 3HD1 ILE 669 7.283 -13.777 11.057 1109 HD12 ILE 669 1HD1 ILE 669 6.594 -13.183 9.533 1110 HD13 ILE 669 2HD1 ILE 669 6.389 -14.888 10.010 1111 H LEU 670 H LEU 670 9.481 -12.600 5.771 1112 HA LEU 670 HA LEU 670 12.083 -11.585 6.482 1113 HB2 LEU 670 2HB LEU 670 11.111 -11.441 4.205 1114 HB3 LEU 670 3HB LEU 670 9.779 -10.469 4.832 1115 HG LEU 670 HG LEU 670 11.369 -8.721 5.502 1116 HD11 LEU 670 1HD1 LEU 670 13.473 -9.997 5.751 1117 HD12 LEU 670 2HD1 LEU 670 13.689 -8.758 4.513 1118 HD13 LEU 670 3HD1 LEU 670 13.417 -10.436 4.031 1119 HD21 LEU 670 3HD2 LEU 670 11.879 -7.890 3.229 1120 HD22 LEU 670 1HD2 LEU 670 10.241 -8.563 3.334 1121 HD23 LEU 670 2HD2 LEU 670 11.538 -9.504 2.570 1122 H LEU 671 H LEU 671 12.577 -9.844 7.701 1123 HA LEU 671 HA LEU 671 10.550 -8.306 9.187 1124 HB2 LEU 671 2HB LEU 671 11.770 -10.623 10.274 1125 HB3 LEU 671 3HB LEU 671 12.725 -9.320 10.918 1126 HG LEU 671 HG LEU 671 10.987 -9.980 12.457 1127 HD11 LEU 671 1HD1 LEU 671 10.204 -7.272 11.305 1128 HD12 LEU 671 2HD1 LEU 671 11.532 -7.574 12.468 1129 HD13 LEU 671 3HD1 LEU 671 9.855 -7.883 12.921 1130 HD21 LEU 671 3HD2 LEU 671 8.899 -9.203 10.381 1131 HD22 LEU 671 1HD2 LEU 671 8.619 -9.823 12.016 1132 HD23 LEU 671 2HD2 LEU 671 9.364 -10.866 10.793 1133 H HIS 672 H HIS 672 11.909 -6.809 10.782 1134 HA HIS 672 HA HIS 672 13.743 -5.152 9.214 1135 HB2 HIS 672 2HB HIS 672 11.787 -4.372 10.693 1136 HB3 HIS 672 3HB HIS 672 12.762 -4.817 12.080 1137 HD1 HIS 672 1HD HIS 672 12.155 -1.961 9.775 1138 HD2 HIS 672 2HD HIS 672 15.157 -3.338 12.378 1139 HE1 HIS 672 1HE HIS 672 13.698 0.014 10.176 Start of MODEL 20 1 H ASN 534 H ASN 534 3.972 14.281 6.912 2 HA ASN 534 HA ASN 534 5.576 12.764 6.939 3 HB2 ASN 534 2HB ASN 534 3.629 11.389 8.798 4 HB3 ASN 534 3HB ASN 534 5.362 11.100 8.736 5 HD21 ASN 534 HD21 ASN 534 4.494 11.772 11.170 6 HD22 ASN 534 HD22 ASN 534 4.922 13.447 11.498 7 H CYS 535 H CYS 535 4.156 12.322 4.513 8 HA CYS 535 HA CYS 535 3.557 9.582 4.041 9 HB2 CYS 535 2HB CYS 535 3.770 10.154 1.665 10 HB3 CYS 535 3HB CYS 535 2.794 11.319 2.558 11 HG CYS 535 HG CYS 535 4.346 12.444 0.637 12 H ARG 536 H ARG 536 6.716 11.225 3.967 13 HA ARG 536 HA ARG 536 8.180 9.051 2.748 14 HB2 ARG 536 2HB ARG 536 8.965 11.404 2.848 15 HB3 ARG 536 3HB ARG 536 9.135 11.269 4.597 16 HG2 ARG 536 2HG ARG 536 10.851 9.434 4.231 17 HG3 ARG 536 3HG ARG 536 10.694 9.706 2.488 18 HD2 ARG 536 2HD ARG 536 12.635 10.926 3.290 19 HD3 ARG 536 3HD ARG 536 11.398 12.077 2.815 20 HE ARG 536 HE ARG 536 11.093 12.733 5.057 21 HH11 ARG 536 1HH1 ARG 536 13.370 10.033 5.074 22 HH12 ARG 536 2HH1 ARG 536 13.760 10.325 6.756 23 HH21 ARG 536 1HH2 ARG 536 11.638 13.020 7.057 24 HH22 ARG 536 2HH2 ARG 536 12.884 12.047 7.837 25 H LYS 537 H LYS 537 7.779 9.912 6.258 26 HA LYS 537 HA LYS 537 9.004 7.609 7.365 27 HB2 LYS 537 2HB LYS 537 8.321 9.638 8.560 28 HB3 LYS 537 3HB LYS 537 6.616 9.207 8.338 29 HG2 LYS 537 2HG LYS 537 6.884 7.204 9.713 30 HG3 LYS 537 3HG LYS 537 8.643 7.463 9.809 31 HD2 LYS 537 2HD LYS 537 8.285 9.610 10.915 32 HD3 LYS 537 3HD LYS 537 6.528 9.403 10.848 33 HE2 LYS 537 2HE LYS 537 8.413 7.434 12.230 34 HE3 LYS 537 3HE LYS 537 7.697 8.801 13.086 35 HZ1 LYS 537 3HZ LYS 537 6.495 6.548 13.188 36 HZ2 LYS 537 1HZ LYS 537 5.935 6.877 11.681 37 HZ3 LYS 537 2HZ LYS 537 5.559 7.853 12.911 38 H LEU 538 H LEU 538 5.789 7.970 5.904 39 HA LEU 538 HA LEU 538 4.738 5.527 7.074 40 HB2 LEU 538 2HB LEU 538 3.752 7.523 5.020 41 HB3 LEU 538 3HB LEU 538 2.859 6.047 5.335 42 HG LEU 538 HG LEU 538 3.612 7.945 7.601 43 HD11 LEU 538 1HD1 LEU 538 1.068 7.902 5.921 44 HD12 LEU 538 2HD1 LEU 538 2.273 9.208 5.979 45 HD13 LEU 538 3HD1 LEU 538 1.315 8.834 7.418 46 HD21 LEU 538 3HD2 LEU 538 1.684 6.852 8.703 47 HD22 LEU 538 1HD2 LEU 538 2.905 5.655 8.255 48 HD23 LEU 538 2HD2 LEU 538 1.438 5.844 7.269 49 H VAL 539 H VAL 539 6.135 6.290 3.858 50 HA VAL 539 HA VAL 539 5.860 3.474 3.001 51 HB VAL 539 HB VAL 539 6.057 5.656 1.542 52 HG11 VAL 539 1HG1 VAL 539 8.937 4.717 1.678 53 HG12 VAL 539 2HG1 VAL 539 8.283 5.934 0.578 54 HG13 VAL 539 3HG1 VAL 539 8.310 6.264 2.331 55 HG21 VAL 539 3HG2 VAL 539 7.207 2.938 0.918 56 HG22 VAL 539 1HG2 VAL 539 5.551 3.491 0.643 57 HG23 VAL 539 2HG2 VAL 539 6.876 4.179 -0.315 58 H ALA 540 H ALA 540 8.461 5.420 4.508 59 HA ALA 540 HA ALA 540 10.431 3.392 4.399 60 HB1 ALA 540 1HB ALA 540 11.607 4.844 6.018 61 HB2 ALA 540 2HB ALA 540 10.860 5.809 4.732 62 HB3 ALA 540 3HB ALA 540 10.101 5.711 6.344 63 H SER 541 H SER 541 7.630 3.289 6.359 64 HA SER 541 HA SER 541 8.913 1.972 8.655 65 HB2 SER 541 2HB SER 541 6.255 3.191 8.147 66 HB3 SER 541 3HB SER 541 6.611 2.256 9.586 67 HG SER 541 HG SER 541 7.634 4.708 8.709 68 H MET 542 H MET 542 7.296 1.122 5.781 69 HA MET 542 HA MET 542 5.791 -1.157 6.516 70 HB2 MET 542 2HB MET 542 7.195 -0.172 4.019 71 HB3 MET 542 3HB MET 542 6.439 -1.751 4.050 72 HG2 MET 542 2HG MET 542 4.271 -0.626 4.718 73 HG3 MET 542 3HG MET 542 5.089 0.925 4.507 74 HE1 MET 542 3HE MET 542 3.462 -2.181 2.823 75 HE2 MET 542 1HE MET 542 3.959 -2.056 1.123 76 HE3 MET 542 2HE MET 542 5.144 -2.491 2.366 77 HA PRO 543 HA PRO 543 9.023 -4.055 7.520 78 HB2 PRO 543 2HB PRO 543 7.869 -6.473 6.889 79 HB3 PRO 543 3HB PRO 543 7.384 -5.469 8.285 80 HG2 PRO 543 2HG PRO 543 6.080 -5.611 5.551 81 HG3 PRO 543 3HG PRO 543 5.290 -5.674 7.161 82 HD2 PRO 543 2HD PRO 543 5.428 -3.382 5.697 83 HD3 PRO 543 3HD PRO 543 5.569 -3.318 7.475 84 H LEU 544 H LEU 544 7.767 -3.915 4.264 85 HA LEU 544 HA LEU 544 9.918 -5.378 2.979 86 HB2 LEU 544 2HB LEU 544 8.478 -3.293 1.427 87 HB3 LEU 544 3HB LEU 544 8.863 -4.946 1.015 88 HG LEU 544 HG LEU 544 6.553 -4.066 2.781 89 HD11 LEU 544 1HD1 LEU 544 6.327 -3.391 0.393 90 HD12 LEU 544 2HD1 LEU 544 5.145 -4.626 0.860 91 HD13 LEU 544 3HD1 LEU 544 6.566 -5.085 -0.092 92 HD21 LEU 544 3HD2 LEU 544 7.106 -6.800 1.573 93 HD22 LEU 544 1HD2 LEU 544 5.685 -6.307 2.531 94 HD23 LEU 544 2HD2 LEU 544 7.279 -6.394 3.294 95 H PHE 545 H PHE 545 9.774 -2.274 4.416 96 HA PHE 545 HA PHE 545 12.000 -1.132 2.807 97 HB2 PHE 545 2HB PHE 545 9.694 0.144 4.318 98 HB3 PHE 545 3HB PHE 545 11.079 1.044 3.760 99 HD1 PHE 545 2HD PHE 545 8.379 -1.226 2.413 100 HD2 PHE 545 1HD PHE 545 11.035 2.074 1.717 101 HE1 PHE 545 2HE PHE 545 7.176 -0.712 0.306 102 HE2 PHE 545 1HE PHE 545 9.844 2.588 -0.405 103 HZ PHE 545 HZ PHE 545 7.861 1.248 -1.049 104 H ALA 546 H ALA 546 11.687 -2.802 5.529 105 HA ALA 546 HA ALA 546 12.561 -1.593 7.789 106 HB1 ALA 546 1HB ALA 546 13.576 -3.818 8.255 107 HB2 ALA 546 2HB ALA 546 11.988 -3.966 7.472 108 HB3 ALA 546 3HB ALA 546 13.478 -4.200 6.521 109 H ASN 547 H ASN 547 14.692 -2.430 5.059 110 HA ASN 547 HA ASN 547 16.958 -1.006 6.380 111 HB2 ASN 547 2HB ASN 547 18.500 -2.646 5.491 112 HB3 ASN 547 3HB ASN 547 17.267 -3.382 6.507 113 HD21 ASN 547 HD21 ASN 547 15.632 -4.704 5.536 114 HD22 ASN 547 HD22 ASN 547 15.793 -5.294 3.872 115 H ALA 548 H ALA 548 14.832 -0.343 4.329 116 HA ALA 548 HA ALA 548 15.909 0.056 1.787 117 HB1 ALA 548 1HB ALA 548 13.507 0.473 2.397 118 HB2 ALA 548 2HB ALA 548 14.001 2.030 3.122 119 HB3 ALA 548 3HB ALA 548 14.217 1.755 1.403 120 H ASP 549 H ASP 549 16.987 1.579 0.666 121 HA ASP 549 HA ASP 549 18.821 3.397 1.916 122 HB2 ASP 549 2HB ASP 549 19.256 2.263 -0.193 123 HB3 ASP 549 3HB ASP 549 17.905 3.067 -0.965 124 HA PRO 550 HA PRO 550 15.725 6.520 2.726 125 HB2 PRO 550 2HB PRO 550 17.291 8.676 3.402 126 HB3 PRO 550 3HB PRO 550 17.107 7.220 4.428 127 HG2 PRO 550 2HG PRO 550 19.275 7.766 2.371 128 HG3 PRO 550 3HG PRO 550 19.504 7.360 4.114 129 HD2 PRO 550 2HD PRO 550 19.621 5.423 2.277 130 HD3 PRO 550 3HD PRO 550 18.667 5.139 3.766 131 H ASN 551 H ASN 551 17.730 6.701 0.021 132 HA ASN 551 HA ASN 551 16.409 9.170 -1.092 133 HB2 ASN 551 2HB ASN 551 18.981 7.728 -1.872 134 HB3 ASN 551 3HB ASN 551 18.154 8.846 -2.948 135 HD21 ASN 551 HD21 ASN 551 20.071 8.648 0.043 136 HD22 ASN 551 HD22 ASN 551 20.158 10.392 0.254 137 H PHE 552 H PHE 552 16.795 5.680 -1.518 138 HA PHE 552 HA PHE 552 15.280 5.373 -3.961 139 HB2 PHE 552 2HB PHE 552 16.563 3.508 -3.209 140 HB3 PHE 552 3HB PHE 552 15.913 3.612 -1.591 141 HD1 PHE 552 2HD PHE 552 14.905 2.688 -5.072 142 HD2 PHE 552 1HD PHE 552 14.114 2.343 -0.860 143 HE1 PHE 552 2HE PHE 552 13.169 0.992 -5.542 144 HE2 PHE 552 1HE PHE 552 12.374 0.626 -1.323 145 HZ PHE 552 HZ PHE 552 11.907 -0.056 -3.671 146 H VAL 553 H VAL 553 14.290 5.258 -0.524 147 HA VAL 553 HA VAL 553 11.554 4.701 -0.996 148 HB VAL 553 HB VAL 553 11.127 5.269 1.292 149 HG11 VAL 553 1HG1 VAL 553 12.697 3.791 2.310 150 HG12 VAL 553 2HG1 VAL 553 12.534 3.259 0.610 151 HG13 VAL 553 3HG1 VAL 553 13.948 4.206 1.123 152 HG21 VAL 553 3HG2 VAL 553 12.959 6.072 2.782 153 HG22 VAL 553 1HG2 VAL 553 13.892 6.533 1.357 154 HG23 VAL 553 2HG2 VAL 553 12.349 7.359 1.706 155 H THR 554 H THR 554 13.242 7.700 -0.959 156 HA THR 554 HA THR 554 10.925 9.484 -1.127 157 HB THR 554 HB THR 554 13.903 9.943 -1.572 158 HG1 THR 554 1HG THR 554 13.843 10.783 0.421 159 HG21 THR 554 1HG2 THR 554 11.551 11.858 -1.446 160 HG22 THR 554 2HG2 THR 554 12.753 11.672 -2.748 161 HG23 THR 554 3HG2 THR 554 13.261 12.356 -1.196 162 H ALA 555 H ALA 555 13.299 8.128 -3.476 163 HA ALA 555 HA ALA 555 12.425 9.630 -5.723 164 HB1 ALA 555 1HB ALA 555 13.701 6.863 -5.490 165 HB2 ALA 555 2HB ALA 555 13.559 7.791 -6.997 166 HB3 ALA 555 3HB ALA 555 14.546 8.413 -5.661 167 H MET 556 H MET 556 10.967 6.937 -4.103 168 HA MET 556 HA MET 556 9.295 5.961 -6.233 169 HB2 MET 556 2HB MET 556 10.050 4.852 -4.100 170 HB3 MET 556 3HB MET 556 8.849 5.805 -3.221 171 HG2 MET 556 2HG MET 556 7.035 4.792 -4.512 172 HG3 MET 556 3HG MET 556 8.186 3.941 -5.537 173 HE1 MET 556 3HE MET 556 10.290 3.080 -2.826 174 HE2 MET 556 1HE MET 556 9.789 1.387 -2.978 175 HE3 MET 556 2HE MET 556 10.084 2.360 -4.444 176 H LEU 557 H LEU 557 8.970 8.755 -4.170 177 HA LEU 557 HA LEU 557 6.031 8.859 -4.323 178 HB2 LEU 557 2HB LEU 557 7.901 10.996 -3.229 179 HB3 LEU 557 3HB LEU 557 6.248 10.648 -2.746 180 HG LEU 557 HG LEU 557 8.735 8.991 -2.122 181 HD11 LEU 557 1HD1 LEU 557 6.949 10.651 -0.328 182 HD12 LEU 557 2HD1 LEU 557 8.590 11.063 -0.883 183 HD13 LEU 557 3HD1 LEU 557 8.342 9.654 0.171 184 HD21 LEU 557 3HD2 LEU 557 7.268 7.641 -0.666 185 HD22 LEU 557 1HD2 LEU 557 6.728 7.508 -2.342 186 HD23 LEU 557 2HD2 LEU 557 5.847 8.558 -1.204 187 H THR 558 H THR 558 8.486 9.899 -6.382 188 HA THR 558 HA THR 558 8.040 12.594 -6.779 189 HB THR 558 HB THR 558 10.003 11.240 -7.475 190 HG1 THR 558 1HG THR 558 10.056 13.264 -8.188 191 HG21 THR 558 1HG2 THR 558 10.114 10.226 -9.654 192 HG22 THR 558 2HG2 THR 558 8.442 10.688 -10.034 193 HG23 THR 558 3HG2 THR 558 8.778 9.475 -8.778 194 H LYS 559 H LYS 559 6.043 10.095 -8.308 195 HA LYS 559 HA LYS 559 4.348 12.320 -9.336 196 HB2 LYS 559 2HB LYS 559 3.718 11.043 -11.337 197 HB3 LYS 559 3HB LYS 559 5.370 11.587 -11.263 198 HG2 LYS 559 2HG LYS 559 5.789 9.600 -12.108 199 HG3 LYS 559 3HG LYS 559 5.895 9.103 -10.446 200 HD2 LYS 559 2HD LYS 559 3.417 8.843 -12.203 201 HD3 LYS 559 3HD LYS 559 4.654 7.608 -12.093 202 HE2 LYS 559 2HE LYS 559 4.114 7.139 -9.739 203 HE3 LYS 559 3HE LYS 559 3.018 8.514 -9.707 204 HZ1 LYS 559 3HZ LYS 559 1.771 6.474 -10.104 205 HZ2 LYS 559 1HZ LYS 559 2.637 6.153 -11.449 206 HZ3 LYS 559 2HZ LYS 559 1.662 7.461 -11.418 207 H LEU 560 H LEU 560 4.207 10.879 -6.839 208 HA LEU 560 HA LEU 560 2.300 8.761 -6.856 209 HB2 LEU 560 2HB LEU 560 4.106 9.158 -5.247 210 HB3 LEU 560 3HB LEU 560 3.315 10.622 -4.658 211 HG LEU 560 HG LEU 560 1.511 9.308 -3.658 212 HD11 LEU 560 1HD1 LEU 560 2.990 7.034 -4.975 213 HD12 LEU 560 2HD1 LEU 560 1.299 7.451 -5.324 214 HD13 LEU 560 3HD1 LEU 560 1.707 6.789 -3.741 215 HD21 LEU 560 3HD2 LEU 560 3.853 9.378 -2.538 216 HD22 LEU 560 1HD2 LEU 560 4.038 7.693 -3.163 217 HD23 LEU 560 2HD2 LEU 560 2.718 8.116 -2.034 218 H LYS 561 H LYS 561 0.247 8.732 -5.720 219 HA LYS 561 HA LYS 561 -1.360 11.225 -5.805 220 HB2 LYS 561 2HB LYS 561 -1.411 9.522 -7.925 221 HB3 LYS 561 3HB LYS 561 -2.521 8.663 -6.879 222 HG2 LYS 561 2HG LYS 561 -4.058 9.998 -7.853 223 HG3 LYS 561 3HG LYS 561 -3.576 11.182 -6.655 224 HD2 LYS 561 2HD LYS 561 -2.500 10.961 -9.505 225 HD3 LYS 561 3HD LYS 561 -3.688 12.135 -8.924 226 HE2 LYS 561 2HE LYS 561 -2.002 13.067 -7.357 227 HE3 LYS 561 3HE LYS 561 -0.786 11.926 -7.968 228 HZ1 LYS 561 3HZ LYS 561 -2.201 13.848 -9.714 229 HZ2 LYS 561 1HZ LYS 561 -0.840 12.949 -10.065 230 HZ3 LYS 561 2HZ LYS 561 -0.765 14.200 -9.002 231 H PHE 562 H PHE 562 -3.318 11.193 -4.570 232 HA PHE 562 HA PHE 562 -3.664 8.916 -2.733 233 HB2 PHE 562 2HB PHE 562 -3.645 10.231 -0.853 234 HB3 PHE 562 3HB PHE 562 -2.330 10.904 -1.760 235 HD1 PHE 562 2HD PHE 562 -5.792 11.350 -0.615 236 HD2 PHE 562 1HD PHE 562 -2.461 13.209 -2.585 237 HE1 PHE 562 2HE PHE 562 -6.956 13.583 -0.488 238 HE2 PHE 562 1HE PHE 562 -3.590 15.426 -2.440 239 HZ PHE 562 HZ PHE 562 -5.849 15.601 -1.409 240 H GLU 563 H GLU 563 -5.732 8.731 -1.748 241 HA GLU 563 HA GLU 563 -8.035 9.952 -3.181 242 HB2 GLU 563 2HB GLU 563 -7.433 8.004 -4.468 243 HB3 GLU 563 3HB GLU 563 -7.410 6.971 -3.040 244 HG2 GLU 563 2HG GLU 563 -9.738 6.884 -2.887 245 HG3 GLU 563 3HG GLU 563 -9.957 8.436 -3.694 246 H VAL 564 H VAL 564 -9.960 9.980 -1.958 247 HA VAL 564 HA VAL 564 -9.603 9.236 0.933 248 HB VAL 564 HB VAL 564 -11.137 11.638 -0.065 249 HG11 VAL 564 1HG1 VAL 564 -10.229 10.992 2.742 250 HG12 VAL 564 2HG1 VAL 564 -11.163 12.377 2.127 251 HG13 VAL 564 3HG1 VAL 564 -11.899 10.805 2.136 252 HG21 VAL 564 3HG2 VAL 564 -8.313 11.426 1.026 253 HG22 VAL 564 1HG2 VAL 564 -8.833 12.120 -0.526 254 HG23 VAL 564 2HG2 VAL 564 -9.249 12.949 0.994 255 H PHE 565 H PHE 565 -11.187 8.406 2.081 256 HA PHE 565 HA PHE 565 -13.871 7.958 0.823 257 HB2 PHE 565 2HB PHE 565 -12.279 6.026 2.533 258 HB3 PHE 565 3HB PHE 565 -13.993 5.858 2.193 259 HD1 PHE 565 2HD PHE 565 -10.601 5.824 0.636 260 HD2 PHE 565 1HD PHE 565 -14.809 5.047 0.074 261 HE1 PHE 565 2HE PHE 565 -10.101 4.567 -1.455 262 HE2 PHE 565 1HE PHE 565 -14.296 3.783 -2.002 263 HZ PHE 565 HZ PHE 565 -11.938 3.518 -2.744 264 H GLN 566 H GLN 566 -15.640 8.275 2.084 265 HA GLN 566 HA GLN 566 -15.312 9.797 4.610 266 HB2 GLN 566 2HB GLN 566 -17.566 9.210 2.634 267 HB3 GLN 566 3HB GLN 566 -17.922 9.807 4.230 268 HG2 GLN 566 2HG GLN 566 -17.958 11.667 2.862 269 HG3 GLN 566 3HG GLN 566 -16.561 11.788 3.927 270 HE21 GLN 566 HE21 GLN 566 -14.508 11.994 2.959 271 HE22 GLN 566 HE22 GLN 566 -14.344 11.984 1.222 272 HA PRO 567 HA PRO 567 -16.162 6.722 7.531 273 HB2 PRO 567 2HB PRO 567 -18.673 8.027 8.530 274 HB3 PRO 567 3HB PRO 567 -17.196 7.582 9.429 275 HG2 PRO 567 2HG PRO 567 -17.760 10.170 8.740 276 HG3 PRO 567 3HG PRO 567 -16.087 9.556 8.725 277 HD2 PRO 567 2HD PRO 567 -17.968 9.960 6.425 278 HD3 PRO 567 3HD PRO 567 -16.210 10.272 6.518 279 H GLY 568 H GLY 568 -16.877 4.668 7.262 280 HA2 GLY 568 2HA GLY 568 -18.558 3.045 7.587 281 HA3 GLY 568 3HA GLY 568 -19.747 4.087 6.799 282 H ASP 569 H ASP 569 -17.318 4.567 4.740 283 HA ASP 569 HA ASP 569 -18.658 2.906 2.922 284 HB2 ASP 569 2HB ASP 569 -17.902 5.351 2.670 285 HB3 ASP 569 3HB ASP 569 -16.313 4.712 2.261 286 H TYR 570 H TYR 570 -18.069 1.111 1.878 287 HA TYR 570 HA TYR 570 -15.724 -0.430 2.655 288 HB2 TYR 570 2HB TYR 570 -17.831 -0.871 0.528 289 HB3 TYR 570 3HB TYR 570 -16.466 -1.946 0.756 290 HD1 TYR 570 HD1 TYR 570 -16.265 -3.405 2.732 291 HD2 TYR 570 HD2 TYR 570 -19.677 -0.827 2.175 292 HE1 TYR 570 HE1 TYR 570 -17.541 -4.721 4.431 293 HE2 TYR 570 HE2 TYR 570 -20.933 -2.119 3.882 294 HH TYR 570 HH TYR 570 -19.547 -4.925 5.621 295 H ILE 571 H ILE 571 -13.702 -0.088 1.996 296 HA ILE 571 HA ILE 571 -13.221 1.892 -0.073 297 HB ILE 571 HB ILE 571 -10.903 1.771 0.626 298 HG12 ILE 571 2HG1 ILE 571 -11.661 -0.150 2.860 299 HG13 ILE 571 3HG1 ILE 571 -11.101 -0.762 1.308 300 HG21 ILE 571 1HG2 ILE 571 -11.143 2.671 2.864 301 HG22 ILE 571 2HG2 ILE 571 -12.492 3.227 1.857 302 HG23 ILE 571 3HG2 ILE 571 -12.753 1.939 3.042 303 HD11 ILE 571 3HD1 ILE 571 -9.551 1.097 3.096 304 HD12 ILE 571 1HD1 ILE 571 -9.230 -0.618 2.752 305 HD13 ILE 571 2HD1 ILE 571 -9.072 0.586 1.453 306 H ILE 572 H ILE 572 -12.886 -1.590 0.006 307 HA ILE 572 HA ILE 572 -11.472 -1.624 -2.607 308 HB ILE 572 HB ILE 572 -10.891 -3.046 0.002 309 HG12 ILE 572 2HG1 ILE 572 -9.260 -1.496 -2.040 310 HG13 ILE 572 3HG1 ILE 572 -9.797 -0.897 -0.503 311 HG21 ILE 572 1HG2 ILE 572 -9.900 -3.945 -2.729 312 HG22 ILE 572 2HG2 ILE 572 -9.294 -4.522 -1.161 313 HG23 ILE 572 3HG2 ILE 572 -10.945 -4.878 -1.617 314 HD11 ILE 572 3HD1 ILE 572 -8.383 -2.609 0.667 315 HD12 ILE 572 1HD1 ILE 572 -7.644 -2.995 -0.920 316 HD13 ILE 572 2HD1 ILE 572 -7.506 -1.367 -0.246 317 H ARG 573 H ARG 573 -12.260 -2.894 -4.129 318 HA ARG 573 HA ARG 573 -13.535 -5.437 -3.433 319 HB2 ARG 573 2HB ARG 573 -15.348 -3.577 -3.732 320 HB3 ARG 573 3HB ARG 573 -15.031 -3.721 -5.452 321 HG2 ARG 573 2HG ARG 573 -15.782 -6.028 -3.598 322 HG3 ARG 573 3HG ARG 573 -16.951 -5.085 -4.501 323 HD2 ARG 573 2HD ARG 573 -14.730 -6.679 -5.830 324 HD3 ARG 573 3HD ARG 573 -16.324 -7.335 -5.478 325 HE ARG 573 HE ARG 573 -16.928 -5.053 -6.888 326 HH11 ARG 573 1HH1 ARG 573 -14.874 -7.797 -7.645 327 HH12 ARG 573 2HH1 ARG 573 -15.588 -8.005 -9.225 328 HH21 ARG 573 1HH2 ARG 573 -17.544 -5.190 -9.055 329 HH22 ARG 573 2HH2 ARG 573 -16.849 -6.432 -10.076 330 H GLU 574 H GLU 574 -12.035 -6.659 -4.283 331 HA GLU 574 HA GLU 574 -10.563 -6.086 -6.699 332 HB2 GLU 574 2HB GLU 574 -9.570 -7.355 -4.887 333 HB3 GLU 574 3HB GLU 574 -10.836 -8.576 -4.993 334 HG2 GLU 574 2HG GLU 574 -8.806 -9.457 -5.943 335 HG3 GLU 574 3HG GLU 574 -10.010 -9.313 -7.195 336 H GLY 575 H GLY 575 -10.568 -7.135 -8.637 337 HA2 GLY 575 2HA GLY 575 -12.623 -9.022 -9.449 338 HA3 GLY 575 3HA GLY 575 -12.902 -7.401 -10.090 339 H THR 576 H THR 576 -9.487 -7.609 -10.018 340 HA THR 576 HA THR 576 -9.250 -9.190 -12.453 341 HB THR 576 HB THR 576 -10.367 -7.169 -13.347 342 HG1 THR 576 1HG THR 576 -8.494 -6.803 -14.887 343 HG21 THR 576 1HG2 THR 576 -9.253 -5.480 -11.835 344 HG22 THR 576 2HG2 THR 576 -9.217 -5.079 -13.559 345 HG23 THR 576 3HG2 THR 576 -7.759 -5.720 -12.769 346 H ILE 577 H ILE 577 -7.204 -9.065 -13.474 347 HA ILE 577 HA ILE 577 -5.138 -9.622 -11.582 348 HB ILE 577 HB ILE 577 -5.433 -9.624 -14.585 349 HG12 ILE 577 2HG1 ILE 577 -4.542 -12.008 -14.187 350 HG13 ILE 577 3HG1 ILE 577 -4.682 -11.685 -12.469 351 HG21 ILE 577 1HG2 ILE 577 -3.122 -10.388 -14.918 352 HG22 ILE 577 2HG2 ILE 577 -3.190 -8.709 -14.411 353 HG23 ILE 577 3HG2 ILE 577 -2.746 -9.971 -13.235 354 HD11 ILE 577 3HD1 ILE 577 -6.599 -12.953 -13.421 355 HD12 ILE 577 1HD1 ILE 577 -7.126 -11.428 -12.710 356 HD13 ILE 577 2HD1 ILE 577 -6.975 -11.579 -14.477 357 H GLY 578 H GLY 578 -3.291 -8.601 -10.999 358 HA2 GLY 578 2HA GLY 578 -1.416 -7.245 -11.460 359 HA3 GLY 578 3HA GLY 578 -2.389 -6.181 -12.468 360 H LYS 579 H LYS 579 -3.097 -7.217 -9.080 361 HA LYS 579 HA LYS 579 -4.089 -4.633 -8.511 362 HB2 LYS 579 2HB LYS 579 -4.702 -6.890 -7.374 363 HB3 LYS 579 3HB LYS 579 -3.260 -6.628 -6.399 364 HG2 LYS 579 2HG LYS 579 -4.861 -5.767 -5.014 365 HG3 LYS 579 3HG LYS 579 -4.307 -4.313 -5.810 366 HD2 LYS 579 2HD LYS 579 -6.941 -5.774 -6.112 367 HD3 LYS 579 3HD LYS 579 -6.624 -4.117 -5.670 368 HE2 LYS 579 2HE LYS 579 -7.518 -3.915 -7.790 369 HE3 LYS 579 3HE LYS 579 -5.792 -3.757 -8.073 370 HZ1 LYS 579 3HZ LYS 579 -6.558 -5.299 -9.696 371 HZ2 LYS 579 1HZ LYS 579 -7.551 -6.083 -8.633 372 HZ3 LYS 579 2HZ LYS 579 -5.993 -6.318 -8.524 373 H LYS 580 H LYS 580 -3.223 -2.783 -8.017 374 HA LYS 580 HA LYS 580 -0.407 -2.582 -7.236 375 HB2 LYS 580 2HB LYS 580 -0.561 -0.293 -7.739 376 HB3 LYS 580 3HB LYS 580 -1.439 -1.156 -8.995 377 HG2 LYS 580 2HG LYS 580 -3.592 -0.512 -7.892 378 HG3 LYS 580 3HG LYS 580 -2.683 0.373 -6.652 379 HD2 LYS 580 2HD LYS 580 -1.720 1.860 -8.356 380 HD3 LYS 580 3HD LYS 580 -2.528 0.938 -9.642 381 HE2 LYS 580 2HE LYS 580 -4.729 1.554 -8.742 382 HE3 LYS 580 3HE LYS 580 -3.975 2.443 -7.416 383 HZ1 LYS 580 3HZ LYS 580 -4.663 3.856 -9.346 384 HZ2 LYS 580 1HZ LYS 580 -3.555 3.096 -10.286 385 HZ3 LYS 580 2HZ LYS 580 -3.060 4.000 -9.015 386 H MET 581 H MET 581 0.041 -0.532 -5.700 387 HA MET 581 HA MET 581 -0.806 -1.556 -3.054 388 HB2 MET 581 2HB MET 581 1.494 0.065 -4.115 389 HB3 MET 581 3HB MET 581 0.995 0.363 -2.461 390 HG2 MET 581 2HG MET 581 1.683 -2.382 -3.545 391 HG3 MET 581 3HG MET 581 2.803 -1.329 -2.687 392 HE1 MET 581 3HE MET 581 0.638 -0.189 -0.173 393 HE2 MET 581 1HE MET 581 1.461 -1.258 0.969 394 HE3 MET 581 2HE MET 581 2.404 -0.412 -0.266 395 H TYR 582 H TYR 582 -2.225 -0.658 -1.825 396 HA TYR 582 HA TYR 582 -2.649 2.281 -1.900 397 HB2 TYR 582 2HB TYR 582 -4.780 0.146 -1.538 398 HB3 TYR 582 3HB TYR 582 -4.980 1.820 -1.062 399 HD1 TYR 582 HD2 TYR 582 -4.461 -0.388 -4.045 400 HD2 TYR 582 HD1 TYR 582 -5.662 3.491 -2.580 401 HE1 TYR 582 HE2 TYR 582 -5.476 0.146 -6.259 402 HE2 TYR 582 HE1 TYR 582 -6.696 4.007 -4.782 403 HH TYR 582 HH TYR 582 -7.133 3.264 -6.905 404 H PHE 583 H PHE 583 -2.630 3.233 0.173 405 HA PHE 583 HA PHE 583 -2.474 1.464 2.496 406 HB2 PHE 583 2HB PHE 583 -0.352 1.718 3.152 407 HB3 PHE 583 3HB PHE 583 -0.174 1.504 1.446 408 HD1 PHE 583 1HD PHE 583 -0.891 5.081 2.233 409 HD2 PHE 583 2HD PHE 583 2.116 1.985 2.185 410 HE1 PHE 583 1HE PHE 583 0.858 6.786 2.398 411 HE2 PHE 583 2HE PHE 583 3.867 3.723 2.273 412 HZ PHE 583 HZ PHE 583 3.248 6.138 2.352 413 H ILE 584 H ILE 584 -2.149 2.662 4.611 414 HA ILE 584 HA ILE 584 -4.174 4.781 4.445 415 HB ILE 584 HB ILE 584 -3.060 3.478 6.972 416 HG12 ILE 584 2HG1 ILE 584 -5.324 2.693 5.032 417 HG13 ILE 584 3HG1 ILE 584 -3.910 1.733 5.431 418 HG21 ILE 584 1HG2 ILE 584 -5.291 4.317 7.829 419 HG22 ILE 584 2HG2 ILE 584 -4.373 5.668 7.171 420 HG23 ILE 584 3HG2 ILE 584 -5.688 4.956 6.220 421 HD11 ILE 584 3HD1 ILE 584 -5.557 0.704 6.573 422 HD12 ILE 584 1HD1 ILE 584 -4.800 1.717 7.833 423 HD13 ILE 584 2HD1 ILE 584 -6.329 2.237 7.095 424 H GLN 585 H GLN 585 -3.592 6.773 4.063 425 HA GLN 585 HA GLN 585 -0.940 7.753 4.843 426 HB2 GLN 585 2HB GLN 585 -1.652 7.922 2.562 427 HB3 GLN 585 3HB GLN 585 -3.132 8.757 2.995 428 HG2 GLN 585 2HG GLN 585 -1.361 10.189 1.975 429 HG3 GLN 585 3HG GLN 585 -1.994 10.762 3.506 430 HE21 GLN 585 HE21 GLN 585 -0.575 11.130 5.170 431 HE22 GLN 585 HE22 GLN 585 1.146 10.839 5.055 432 H HIS 586 H HIS 586 -4.402 8.752 5.445 433 HA HIS 586 HA HIS 586 -3.580 9.264 8.198 434 HB2 HIS 586 2HB HIS 586 -3.194 11.461 6.778 435 HB3 HIS 586 3HB HIS 586 -4.932 11.640 6.885 436 HD1 HIS 586 1HD HIS 586 -1.765 11.615 9.041 437 HD2 HIS 586 2HD HIS 586 -5.899 12.380 9.330 438 HE1 HIS 586 1HE HIS 586 -2.126 12.786 11.280 439 H GLY 587 H GLY 587 -5.140 8.005 9.262 440 HA2 GLY 587 2HA GLY 587 -7.504 8.776 10.013 441 HA3 GLY 587 3HA GLY 587 -7.976 8.133 8.444 442 H VAL 588 H VAL 588 -9.272 6.585 9.594 443 HA VAL 588 HA VAL 588 -7.782 4.291 10.683 444 HB VAL 588 HB VAL 588 -10.238 5.513 12.017 445 HG11 VAL 588 1HG1 VAL 588 -9.886 3.950 13.842 446 HG12 VAL 588 2HG1 VAL 588 -10.153 3.056 12.349 447 HG13 VAL 588 3HG1 VAL 588 -8.505 3.222 13.004 448 HG21 VAL 588 3HG2 VAL 588 -8.310 6.923 12.499 449 HG22 VAL 588 1HG2 VAL 588 -8.721 5.990 13.932 450 HG23 VAL 588 2HG2 VAL 588 -7.335 5.501 12.930 451 H VAL 589 H VAL 589 -8.819 2.263 10.365 452 HA VAL 589 HA VAL 589 -11.313 2.184 8.728 453 HB VAL 589 HB VAL 589 -10.378 0.456 7.282 454 HG11 VAL 589 1HG1 VAL 589 -10.313 2.818 6.536 455 HG12 VAL 589 2HG1 VAL 589 -8.668 2.969 7.188 456 HG13 VAL 589 3HG1 VAL 589 -9.003 1.848 5.851 457 HG21 VAL 589 3HG2 VAL 589 -7.932 0.071 7.158 458 HG22 VAL 589 1HG2 VAL 589 -7.715 1.045 8.631 459 HG23 VAL 589 2HG2 VAL 589 -8.612 -0.488 8.682 460 H SER 590 H SER 590 -12.564 0.384 8.925 461 HA SER 590 HA SER 590 -11.742 -1.671 10.952 462 HB2 SER 590 2HB SER 590 -14.512 -1.413 9.786 463 HB3 SER 590 3HB SER 590 -13.945 -2.346 11.194 464 HG SER 590 HG SER 590 -15.095 -0.435 11.678 465 H VAL 591 H VAL 591 -10.697 -3.276 10.038 466 HA VAL 591 HA VAL 591 -11.241 -4.326 7.325 467 HB VAL 591 HB VAL 591 -9.653 -5.667 9.530 468 HG11 VAL 591 1HG1 VAL 591 -9.503 -5.852 6.495 469 HG12 VAL 591 2HG1 VAL 591 -8.386 -6.646 7.621 470 HG13 VAL 591 3HG1 VAL 591 -10.080 -7.104 7.620 471 HG21 VAL 591 3HG2 VAL 591 -7.612 -4.724 8.691 472 HG22 VAL 591 1HG2 VAL 591 -8.509 -3.687 7.541 473 HG23 VAL 591 2HG2 VAL 591 -8.661 -3.448 9.304 474 H LEU 592 H LEU 592 -12.379 -6.199 6.931 475 HA LEU 592 HA LEU 592 -13.576 -7.674 9.263 476 HB2 LEU 592 2HB LEU 592 -14.525 -7.668 6.362 477 HB3 LEU 592 3HB LEU 592 -15.228 -8.538 7.702 478 HG LEU 592 HG LEU 592 -16.679 -6.796 7.206 479 HD11 LEU 592 1HD1 LEU 592 -16.279 -7.143 9.631 480 HD12 LEU 592 2HD1 LEU 592 -16.831 -5.504 9.248 481 HD13 LEU 592 3HD1 LEU 592 -15.116 -5.799 9.609 482 HD21 LEU 592 3HD2 LEU 592 -15.139 -5.318 5.937 483 HD22 LEU 592 1HD2 LEU 592 -14.567 -4.651 7.486 484 HD23 LEU 592 2HD2 LEU 592 -16.264 -4.480 7.022 485 H THR 593 H THR 593 -12.884 -9.859 9.468 486 HA THR 593 HA THR 593 -11.679 -11.036 6.994 487 HB THR 593 HB THR 593 -10.855 -12.845 8.741 488 HG1 THR 593 1HG THR 593 -9.973 -11.832 10.488 489 HG21 THR 593 1HG2 THR 593 -9.457 -11.662 7.108 490 HG22 THR 593 2HG2 THR 593 -8.659 -11.651 8.681 491 HG23 THR 593 3HG2 THR 593 -9.494 -10.191 8.101 492 H LYS 594 H LYS 594 -12.597 -12.665 6.066 493 HA LYS 594 HA LYS 594 -15.354 -12.669 6.251 494 HB2 LYS 594 2HB LYS 594 -15.371 -14.350 4.512 495 HB3 LYS 594 3HB LYS 594 -14.228 -13.067 4.176 496 HG2 LYS 594 2HG LYS 594 -13.278 -15.650 5.442 497 HG3 LYS 594 3HG LYS 594 -13.644 -15.566 3.729 498 HD2 LYS 594 2HD LYS 594 -11.973 -13.799 3.375 499 HD3 LYS 594 3HD LYS 594 -11.596 -13.794 5.098 500 HE2 LYS 594 2HE LYS 594 -9.884 -15.022 4.032 501 HE3 LYS 594 3HE LYS 594 -10.858 -16.151 4.967 502 HZ1 LYS 594 3HZ LYS 594 -11.014 -15.754 2.024 503 HZ2 LYS 594 1HZ LYS 594 -11.967 -16.794 2.881 504 HZ3 LYS 594 2HZ LYS 594 -10.337 -17.030 2.803 505 H GLY 595 H GLY 595 -13.320 -15.034 7.865 506 HA2 GLY 595 2HA GLY 595 -15.570 -16.762 8.646 507 HA3 GLY 595 3HA GLY 595 -13.891 -16.814 9.218 508 H ASN 596 H ASN 596 -14.577 -13.704 9.737 509 HA ASN 596 HA ASN 596 -14.678 -14.369 12.640 510 HB2 ASN 596 2HB ASN 596 -12.517 -12.872 11.152 511 HB3 ASN 596 3HB ASN 596 -12.410 -13.492 12.742 512 HD21 ASN 596 HD21 ASN 596 -10.402 -14.005 10.916 513 HD22 ASN 596 HD22 ASN 596 -10.421 -15.734 10.674 514 H LYS 597 H LYS 597 -13.149 -11.670 12.844 515 HA LYS 597 HA LYS 597 -15.609 -10.112 13.369 516 HB2 LYS 597 2HB LYS 597 -12.969 -10.213 14.911 517 HB3 LYS 597 3HB LYS 597 -14.311 -9.166 15.301 518 HG2 LYS 597 2HG LYS 597 -14.357 -10.878 16.867 519 HG3 LYS 597 3HG LYS 597 -15.748 -11.096 15.823 520 HD2 LYS 597 2HD LYS 597 -14.613 -13.205 16.575 521 HD3 LYS 597 3HD LYS 597 -14.828 -13.069 14.847 522 HE2 LYS 597 2HE LYS 597 -12.654 -14.005 15.293 523 HE3 LYS 597 3HE LYS 597 -12.450 -12.413 14.573 524 HZ1 LYS 597 3HZ LYS 597 -12.215 -13.040 17.482 525 HZ2 LYS 597 1HZ LYS 597 -11.994 -11.543 16.831 526 HZ3 LYS 597 2HZ LYS 597 -10.970 -12.780 16.479 527 H GLU 598 H GLU 598 -15.332 -7.813 13.800 528 HA GLU 598 HA GLU 598 -13.913 -6.392 11.743 529 HB2 GLU 598 2HB GLU 598 -15.254 -5.536 14.331 530 HB3 GLU 598 3HB GLU 598 -14.383 -4.376 13.333 531 HG2 GLU 598 2HG GLU 598 -15.851 -4.515 11.547 532 HG3 GLU 598 3HG GLU 598 -16.480 -6.078 12.053 533 H MET 599 H MET 599 -11.953 -5.520 11.769 534 HA MET 599 HA MET 599 -10.319 -5.381 14.297 535 HB2 MET 599 2HB MET 599 -9.403 -6.283 11.572 536 HB3 MET 599 3HB MET 599 -8.316 -5.909 12.914 537 HG2 MET 599 2HG MET 599 -9.339 -7.620 14.288 538 HG3 MET 599 3HG MET 599 -10.506 -8.013 13.022 539 HE1 MET 599 3HE MET 599 -8.316 -9.646 10.215 540 HE2 MET 599 1HE MET 599 -9.876 -8.905 10.634 541 HE3 MET 599 2HE MET 599 -8.456 -7.878 10.313 542 H LYS 600 H LYS 600 -9.737 -3.388 14.800 543 HA LYS 600 HA LYS 600 -9.925 -1.276 12.844 544 HB2 LYS 600 2HB LYS 600 -10.721 -1.491 15.410 545 HB3 LYS 600 3HB LYS 600 -9.115 -0.837 15.712 546 HG2 LYS 600 2HG LYS 600 -10.495 1.044 15.528 547 HG3 LYS 600 3HG LYS 600 -9.682 0.941 13.957 548 HD2 LYS 600 2HD LYS 600 -11.965 1.515 13.567 549 HD3 LYS 600 3HD LYS 600 -11.748 -0.158 13.023 550 HE2 LYS 600 2HE LYS 600 -12.868 -1.043 14.948 551 HE3 LYS 600 3HE LYS 600 -12.764 0.499 15.801 552 HZ1 LYS 600 3HZ LYS 600 -14.998 0.197 14.869 553 HZ2 LYS 600 1HZ LYS 600 -14.372 0.007 13.358 554 HZ3 LYS 600 2HZ LYS 600 -14.258 1.446 14.091 555 H LEU 601 H LEU 601 -8.414 -0.438 11.692 556 HA LEU 601 HA LEU 601 -5.537 -0.472 12.544 557 HB2 LEU 601 2HB LEU 601 -6.815 -1.210 9.904 558 HB3 LEU 601 3HB LEU 601 -5.201 -0.531 9.946 559 HG LEU 601 HG LEU 601 -4.385 -2.388 11.326 560 HD11 LEU 601 1HD1 LEU 601 -5.857 -4.495 11.388 561 HD12 LEU 601 2HD1 LEU 601 -7.239 -3.412 11.090 562 HD13 LEU 601 3HD1 LEU 601 -6.239 -3.241 12.551 563 HD21 LEU 601 3HD2 LEU 601 -5.888 -3.220 8.806 564 HD22 LEU 601 1HD2 LEU 601 -4.493 -4.073 9.536 565 HD23 LEU 601 2HD2 LEU 601 -4.298 -2.464 8.861 566 H SER 602 H SER 602 -4.230 1.243 11.578 567 HA SER 602 HA SER 602 -5.677 3.733 10.833 568 HB2 SER 602 2HB SER 602 -4.447 4.966 12.592 569 HB3 SER 602 3HB SER 602 -5.536 3.743 13.254 570 HG SER 602 HG SER 602 -2.859 3.968 13.539 571 H ASP 603 H ASP 603 -3.812 5.572 10.695 572 HA ASP 603 HA ASP 603 -2.332 5.303 8.408 573 HB2 ASP 603 2HB ASP 603 -0.904 7.115 9.206 574 HB3 ASP 603 3HB ASP 603 -2.603 7.415 9.517 575 H GLY 604 H GLY 604 -0.484 4.461 7.676 576 HA2 GLY 604 2HA GLY 604 1.648 3.437 7.750 577 HA3 GLY 604 3HA GLY 604 1.492 3.310 9.501 578 H SER 605 H SER 605 -1.326 2.100 8.472 579 HA SER 605 HA SER 605 -0.439 -0.715 8.050 580 HB2 SER 605 2HB SER 605 -3.125 0.626 8.414 581 HB3 SER 605 3HB SER 605 -2.925 -1.089 8.028 582 HG SER 605 HG SER 605 -1.753 0.225 10.281 583 H TYR 606 H TYR 606 -1.301 -1.876 6.146 584 HA TYR 606 HA TYR 606 -1.992 -0.196 3.821 585 HB2 TYR 606 2HB TYR 606 -0.100 -0.752 2.522 586 HB3 TYR 606 3HB TYR 606 0.512 -0.121 4.044 587 HD1 TYR 606 HD2 TYR 606 1.600 -1.600 5.698 588 HD2 TYR 606 HD1 TYR 606 0.234 -3.060 1.876 589 HE1 TYR 606 HE2 TYR 606 2.933 -3.701 6.015 590 HE2 TYR 606 HE1 TYR 606 1.602 -5.103 2.164 591 HH TYR 606 HH TYR 606 2.723 -6.367 3.649 592 H PHE 607 H PHE 607 -2.643 -1.274 1.970 593 HA PHE 607 HA PHE 607 -3.075 -4.207 2.102 594 HB2 PHE 607 2HB PHE 607 -5.566 -3.680 1.412 595 HB3 PHE 607 3HB PHE 607 -5.033 -3.776 3.068 596 HD1 PHE 607 2HD PHE 607 -4.902 -0.980 0.538 597 HD2 PHE 607 1HD PHE 607 -6.288 -2.342 4.384 598 HE1 PHE 607 2HE PHE 607 -5.810 1.272 1.014 599 HE2 PHE 607 1HE PHE 607 -7.246 -0.084 4.828 600 HZ PHE 607 HZ PHE 607 -6.968 1.722 3.172 601 H GLY 608 H GLY 608 -4.629 -4.679 -0.028 602 HA2 GLY 608 2HA GLY 608 -4.505 -4.852 -2.370 603 HA3 GLY 608 3HA GLY 608 -3.145 -3.727 -2.420 604 H GLU 609 H GLU 609 -1.107 -4.512 -1.427 605 HA GLU 609 HA GLU 609 0.708 -5.894 -1.508 606 HB2 GLU 609 2HB GLU 609 -0.234 -5.918 0.777 607 HB3 GLU 609 3HB GLU 609 -1.058 -7.438 0.415 608 HG2 GLU 609 2HG GLU 609 1.206 -8.444 -0.137 609 HG3 GLU 609 3HG GLU 609 1.961 -6.936 0.378 610 H ILE 610 H ILE 610 0.998 -6.715 -3.614 611 HA ILE 610 HA ILE 610 1.146 -9.638 -3.434 612 HB ILE 610 HB ILE 610 0.598 -8.525 -6.176 613 HG12 ILE 610 2HG1 ILE 610 -1.555 -9.483 -4.301 614 HG13 ILE 610 3HG1 ILE 610 -1.382 -7.842 -4.916 615 HG21 ILE 610 1HG2 ILE 610 1.558 -10.858 -5.829 616 HG22 ILE 610 2HG2 ILE 610 0.088 -11.273 -4.931 617 HG23 ILE 610 3HG2 ILE 610 0.030 -10.860 -6.659 618 HD11 ILE 610 3HD1 ILE 610 -1.728 -8.707 -7.244 619 HD12 ILE 610 1HD1 ILE 610 -2.119 -10.302 -6.548 620 HD13 ILE 610 2HD1 ILE 610 -3.122 -8.908 -6.167 621 H CYS 611 H CYS 611 3.075 -10.469 -4.680 622 HA CYS 611 HA CYS 611 5.333 -8.726 -4.453 623 HB2 CYS 611 2HB CYS 611 5.084 -11.453 -5.733 624 HB3 CYS 611 3HB CYS 611 6.606 -10.557 -5.537 625 HG CYS 611 HG CYS 611 4.454 -11.588 -3.240 626 H LEU 612 H LEU 612 6.735 -7.740 -5.756 627 HA LEU 612 HA LEU 612 5.294 -6.018 -7.486 628 HB2 LEU 612 2HB LEU 612 8.250 -6.450 -6.933 629 HB3 LEU 612 3HB LEU 612 7.698 -5.196 -8.012 630 HG LEU 612 HG LEU 612 6.883 -5.371 -5.088 631 HD11 LEU 612 1HD1 LEU 612 9.333 -4.894 -5.553 632 HD12 LEU 612 2HD1 LEU 612 8.443 -3.599 -4.741 633 HD13 LEU 612 3HD1 LEU 612 8.794 -3.468 -6.487 634 HD21 LEU 612 3HD2 LEU 612 6.255 -2.941 -5.519 635 HD22 LEU 612 1HD2 LEU 612 5.233 -4.102 -6.389 636 HD23 LEU 612 2HD2 LEU 612 6.532 -3.226 -7.240 637 H LEU 613 H LEU 613 7.376 -8.757 -8.280 638 HA LEU 613 HA LEU 613 7.277 -8.313 -11.126 639 HB2 LEU 613 2HB LEU 613 8.503 -10.266 -11.337 640 HB3 LEU 613 3HB LEU 613 9.113 -9.435 -9.938 641 HG LEU 613 HG LEU 613 9.221 -11.703 -9.463 642 HD11 LEU 613 1HD1 LEU 613 7.842 -12.093 -7.531 643 HD12 LEU 613 2HD1 LEU 613 6.704 -10.828 -8.024 644 HD13 LEU 613 3HD1 LEU 613 8.380 -10.408 -7.562 645 HD21 LEU 613 3HD2 LEU 613 6.289 -12.215 -10.039 646 HD22 LEU 613 1HD2 LEU 613 7.566 -13.371 -9.652 647 HD23 LEU 613 2HD2 LEU 613 7.605 -12.517 -11.198 648 H THR 614 H THR 614 4.868 -9.577 -8.981 649 HA THR 614 HA THR 614 3.838 -11.584 -10.804 650 HB THR 614 HB THR 614 1.852 -11.694 -9.428 651 HG1 THR 614 1HG THR 614 2.898 -9.455 -8.043 652 HG21 THR 614 1HG2 THR 614 3.821 -12.840 -8.594 653 HG22 THR 614 2HG2 THR 614 2.855 -12.192 -7.260 654 HG23 THR 614 3HG2 THR 614 4.357 -11.378 -7.752 655 H ARG 615 H ARG 615 1.799 -11.749 -11.783 656 HA ARG 615 HA ARG 615 0.121 -9.311 -12.061 657 HB2 ARG 615 2HB ARG 615 0.535 -11.341 -14.303 658 HB3 ARG 615 3HB ARG 615 -0.653 -10.062 -14.271 659 HG2 ARG 615 2HG ARG 615 0.900 -9.083 -15.594 660 HG3 ARG 615 3HG ARG 615 1.362 -8.426 -14.031 661 HD2 ARG 615 2HD ARG 615 3.350 -9.063 -15.257 662 HD3 ARG 615 3HD ARG 615 3.188 -10.155 -13.896 663 HE ARG 615 HE ARG 615 2.633 -11.952 -15.344 664 HH11 ARG 615 1HH1 ARG 615 2.913 -9.029 -17.325 665 HH12 ARG 615 2HH1 ARG 615 3.398 -9.960 -18.711 666 HH21 ARG 615 1HH2 ARG 615 3.038 -13.042 -17.228 667 HH22 ARG 615 2HH2 ARG 615 3.248 -12.136 -18.712 668 H GLY 616 H GLY 616 -1.378 -9.864 -10.501 669 HA2 GLY 616 2HA GLY 616 -3.174 -12.167 -11.015 670 HA3 GLY 616 3HA GLY 616 -2.233 -12.239 -9.538 671 H ARG 617 H ARG 617 -5.075 -12.221 -9.578 672 HA ARG 617 HA ARG 617 -6.011 -9.704 -8.384 673 HB2 ARG 617 2HB ARG 617 -7.036 -12.573 -8.376 674 HB3 ARG 617 3HB ARG 617 -7.852 -11.248 -7.542 675 HG2 ARG 617 2HG ARG 617 -8.145 -10.013 -9.590 676 HG3 ARG 617 3HG ARG 617 -7.244 -11.211 -10.522 677 HD2 ARG 617 2HD ARG 617 -9.813 -11.795 -8.999 678 HD3 ARG 617 3HD ARG 617 -9.756 -11.378 -10.718 679 HE ARG 617 HE ARG 617 -7.997 -13.500 -10.534 680 HH11 ARG 617 1HH1 ARG 617 -11.409 -13.168 -9.595 681 HH12 ARG 617 2HH1 ARG 617 -11.680 -14.882 -9.869 682 HH21 ARG 617 1HH2 ARG 617 -8.640 -15.612 -11.079 683 HH22 ARG 617 2HH2 ARG 617 -10.245 -16.141 -10.614 684 H ARG 618 H ARG 618 -6.252 -9.217 -6.228 685 HA ARG 618 HA ARG 618 -6.000 -11.369 -4.275 686 HB2 ARG 618 2HB ARG 618 -3.733 -10.352 -4.195 687 HB3 ARG 618 3HB ARG 618 -4.452 -8.806 -3.701 688 HG2 ARG 618 2HG ARG 618 -5.353 -9.878 -1.673 689 HG3 ARG 618 3HG ARG 618 -4.780 -11.452 -2.221 690 HD2 ARG 618 2HD ARG 618 -2.437 -10.696 -2.064 691 HD3 ARG 618 3HD ARG 618 -2.993 -9.132 -1.456 692 HE ARG 618 HE ARG 618 -4.194 -11.052 0.184 693 HH11 ARG 618 1HH1 ARG 618 -0.980 -9.892 -0.469 694 HH12 ARG 618 2HH1 ARG 618 -0.427 -10.188 1.170 695 HH21 ARG 618 1HH2 ARG 618 -3.478 -11.494 2.165 696 HH22 ARG 618 2HH2 ARG 618 -1.803 -11.296 2.623 697 H THR 619 H THR 619 -7.768 -11.426 -3.052 698 HA THR 619 HA THR 619 -9.503 -9.001 -3.072 699 HB THR 619 HB THR 619 -10.338 -11.120 -4.084 700 HG1 THR 619 1HG THR 619 -12.377 -10.721 -3.305 701 HG21 THR 619 1HG2 THR 619 -9.620 -12.725 -2.299 702 HG22 THR 619 2HG2 THR 619 -11.358 -12.790 -2.643 703 HG23 THR 619 3HG2 THR 619 -10.781 -11.966 -1.184 704 H ALA 620 H ALA 620 -10.712 -8.290 -1.328 705 HA ALA 620 HA ALA 620 -10.160 -9.215 1.405 706 HB1 ALA 620 1HB ALA 620 -8.265 -7.665 0.909 707 HB2 ALA 620 2HB ALA 620 -9.426 -6.389 0.495 708 HB3 ALA 620 3HB ALA 620 -9.333 -7.014 2.158 709 H SER 621 H SER 621 -11.439 -7.972 3.030 710 HA SER 621 HA SER 621 -13.760 -6.403 1.980 711 HB2 SER 621 2HB SER 621 -13.842 -8.747 3.891 712 HB3 SER 621 3HB SER 621 -15.087 -7.484 3.901 713 HG SER 621 HG SER 621 -15.214 -9.511 2.425 714 H VAL 622 H VAL 622 -13.199 -4.387 2.636 715 HA VAL 622 HA VAL 622 -12.896 -3.900 5.539 716 HB VAL 622 HB VAL 622 -10.659 -4.337 5.001 717 HG11 VAL 622 1HG1 VAL 622 -9.382 -3.136 3.211 718 HG12 VAL 622 2HG1 VAL 622 -10.548 -4.323 2.630 719 HG13 VAL 622 3HG1 VAL 622 -10.943 -2.599 2.551 720 HG21 VAL 622 3HG2 VAL 622 -10.865 -1.313 4.919 721 HG22 VAL 622 1HG2 VAL 622 -10.994 -2.337 6.374 722 HG23 VAL 622 2HG2 VAL 622 -9.488 -2.296 5.454 723 H ARG 623 H ARG 623 -13.449 -1.866 6.248 724 HA ARG 623 HA ARG 623 -14.354 0.150 4.263 725 HB2 ARG 623 2HB ARG 623 -16.522 0.383 5.197 726 HB3 ARG 623 3HB ARG 623 -16.282 -1.333 4.896 727 HG2 ARG 623 2HG ARG 623 -15.563 -1.443 7.401 728 HG3 ARG 623 3HG ARG 623 -16.314 0.141 7.551 729 HD2 ARG 623 2HD ARG 623 -17.701 -2.406 6.583 730 HD3 ARG 623 3HD ARG 623 -17.838 -1.701 8.198 731 HE ARG 623 HE ARG 623 -18.583 0.175 6.084 732 HH11 ARG 623 1HH1 ARG 623 -20.000 -2.448 8.029 733 HH12 ARG 623 2HH1 ARG 623 -21.584 -1.737 7.880 734 HH21 ARG 623 1HH2 ARG 623 -20.558 0.915 5.927 735 HH22 ARG 623 2HH2 ARG 623 -21.909 0.109 6.700 736 H ALA 624 H ALA 624 -14.799 2.263 5.178 737 HA ALA 624 HA ALA 624 -12.560 2.978 6.929 738 HB1 ALA 624 1HB ALA 624 -13.071 5.257 6.253 739 HB2 ALA 624 2HB ALA 624 -13.065 4.197 4.835 740 HB3 ALA 624 3HB ALA 624 -14.608 4.735 5.531 741 H ASP 625 H ASP 625 -12.593 3.765 9.034 742 HA ASP 625 HA ASP 625 -15.060 3.517 10.634 743 HB2 ASP 625 2HB ASP 625 -12.569 3.075 11.361 744 HB3 ASP 625 3HB ASP 625 -12.415 4.787 11.435 745 H THR 626 H THR 626 -13.397 5.898 8.875 746 HA THR 626 HA THR 626 -14.763 8.310 9.913 747 HB THR 626 HB THR 626 -13.091 7.849 11.605 748 HG1 THR 626 1HG THR 626 -13.141 9.921 11.380 749 HG21 THR 626 1HG2 THR 626 -10.703 7.758 11.138 750 HG22 THR 626 2HG2 THR 626 -11.016 7.811 9.383 751 HG23 THR 626 3HG2 THR 626 -11.550 6.420 10.368 752 H TYR 627 H TYR 627 -13.528 10.310 8.777 753 HA TYR 627 HA TYR 627 -13.476 9.856 5.902 754 HB2 TYR 627 2HB TYR 627 -14.410 11.848 7.072 755 HB3 TYR 627 3HB TYR 627 -12.810 12.248 7.611 756 HD1 TYR 627 HD1 TYR 627 -10.996 12.481 5.549 757 HD2 TYR 627 HD2 TYR 627 -15.246 13.166 5.404 758 HE1 TYR 627 HE1 TYR 627 -10.684 13.983 3.584 759 HE2 TYR 627 HE2 TYR 627 -14.919 14.734 3.480 760 HH TYR 627 HH TYR 627 -11.649 15.558 2.290 761 H CYS 628 H CYS 628 -11.794 8.637 5.213 762 HA CYS 628 HA CYS 628 -9.120 8.929 6.512 763 HB2 CYS 628 2HB CYS 628 -10.486 6.795 6.832 764 HB3 CYS 628 3HB CYS 628 -10.180 6.458 5.111 765 HG CYS 628 HG CYS 628 -8.578 5.060 6.641 766 H ARG 629 H ARG 629 -7.448 9.520 5.385 767 HA ARG 629 HA ARG 629 -7.502 9.704 2.415 768 HB2 ARG 629 2HB ARG 629 -5.436 10.639 4.463 769 HB3 ARG 629 3HB ARG 629 -5.270 10.789 2.719 770 HG2 ARG 629 2HG ARG 629 -7.812 11.910 3.353 771 HG3 ARG 629 3HG ARG 629 -6.728 12.475 4.615 772 HD2 ARG 629 2HD ARG 629 -5.825 12.655 1.726 773 HD3 ARG 629 3HD ARG 629 -7.081 13.756 2.279 774 HE ARG 629 HE ARG 629 -5.421 14.348 4.172 775 HH11 ARG 629 1HH1 ARG 629 -4.472 13.936 0.762 776 HH12 ARG 629 2HH1 ARG 629 -3.352 15.263 0.926 777 HH21 ARG 629 1HH2 ARG 629 -4.192 16.172 4.002 778 HH22 ARG 629 2HH2 ARG 629 -3.142 16.361 2.615 779 H LEU 630 H LEU 630 -6.868 8.107 1.247 780 HA LEU 630 HA LEU 630 -4.812 6.198 2.253 781 HB2 LEU 630 2HB LEU 630 -6.797 5.842 -0.021 782 HB3 LEU 630 3HB LEU 630 -5.641 4.650 0.567 783 HG LEU 630 HG LEU 630 -8.105 5.700 2.036 784 HD11 LEU 630 1HD1 LEU 630 -8.817 3.333 1.843 785 HD12 LEU 630 2HD1 LEU 630 -7.319 2.968 0.947 786 HD13 LEU 630 3HD1 LEU 630 -8.524 4.065 0.261 787 HD21 LEU 630 3HD2 LEU 630 -5.932 3.797 3.000 788 HD22 LEU 630 1HD2 LEU 630 -7.528 3.988 3.779 789 HD23 LEU 630 2HD2 LEU 630 -6.407 5.343 3.735 790 H TYR 631 H TYR 631 -3.177 5.586 0.693 791 HA TYR 631 HA TYR 631 -2.653 7.667 -1.396 792 HB2 TYR 631 2HB TYR 631 -0.609 7.770 -0.785 793 HB3 TYR 631 3HB TYR 631 -0.912 6.856 0.589 794 HD1 TYR 631 HD1 TYR 631 -1.111 3.992 -1.115 795 HD2 TYR 631 HD2 TYR 631 1.683 7.187 -0.471 796 HE1 TYR 631 HE1 TYR 631 0.727 2.491 -1.723 797 HE2 TYR 631 HE2 TYR 631 3.556 5.663 -1.066 798 HH TYR 631 HH TYR 631 4.133 3.539 -1.708 799 H SER 632 H SER 632 -1.812 6.832 -3.543 800 HA SER 632 HA SER 632 -2.329 3.947 -4.064 801 HB2 SER 632 2HB SER 632 -3.556 4.546 -6.139 802 HB3 SER 632 3HB SER 632 -4.389 5.021 -4.648 803 HG SER 632 HG SER 632 -4.442 6.712 -6.212 804 H LEU 633 H LEU 633 -0.439 3.128 -4.802 805 HA LEU 633 HA LEU 633 1.087 4.693 -6.821 806 HB2 LEU 633 2HB LEU 633 1.969 4.704 -4.417 807 HB3 LEU 633 3HB LEU 633 2.401 3.048 -4.654 808 HG LEU 633 HG LEU 633 4.004 5.222 -5.061 809 HD11 LEU 633 1HD1 LEU 633 4.773 2.895 -4.885 810 HD12 LEU 633 2HD1 LEU 633 5.557 3.691 -6.258 811 HD13 LEU 633 3HD1 LEU 633 4.215 2.560 -6.539 812 HD21 LEU 633 3HD2 LEU 633 2.841 5.993 -7.118 813 HD22 LEU 633 1HD2 LEU 633 3.335 4.481 -7.921 814 HD23 LEU 633 2HD2 LEU 633 4.553 5.619 -7.331 815 H SER 634 H SER 634 1.562 3.598 -8.640 816 HA SER 634 HA SER 634 0.767 0.804 -8.949 817 HB2 SER 634 2HB SER 634 0.423 2.294 -10.796 818 HB3 SER 634 3HB SER 634 2.171 2.602 -10.924 819 HG SER 634 HG SER 634 1.221 0.873 -12.333 820 H VAL 635 H VAL 635 1.934 -1.083 -9.158 821 HA VAL 635 HA VAL 635 4.663 -1.195 -8.144 822 HB VAL 635 HB VAL 635 4.736 -3.464 -8.609 823 HG11 VAL 635 1HG1 VAL 635 3.307 -2.695 -6.719 824 HG12 VAL 635 2HG1 VAL 635 1.879 -2.899 -7.769 825 HG13 VAL 635 3HG1 VAL 635 2.888 -4.299 -7.352 826 HG21 VAL 635 3HG2 VAL 635 3.878 -3.700 -10.825 827 HG22 VAL 635 1HG2 VAL 635 3.011 -4.760 -9.717 828 HG23 VAL 635 2HG2 VAL 635 2.237 -3.257 -10.275 829 H ASP 636 H ASP 636 3.354 -0.623 -11.377 830 HA ASP 636 HA ASP 636 5.839 -1.298 -12.764 831 HB2 ASP 636 2HB ASP 636 3.437 0.389 -13.422 832 HB3 ASP 636 3HB ASP 636 4.779 0.189 -14.555 833 H ASN 637 H ASN 637 4.820 1.455 -10.862 834 HA ASN 637 HA ASN 637 7.165 3.095 -11.685 835 HB2 ASN 637 2HB ASN 637 4.976 3.567 -9.622 836 HB3 ASN 637 3HB ASN 637 6.312 4.667 -9.973 837 HD21 ASN 637 HD21 ASN 637 6.546 5.144 -12.487 838 HD22 ASN 637 HD22 ASN 637 5.003 5.405 -13.313 839 H PHE 638 H PHE 638 6.059 1.036 -9.030 840 HA PHE 638 HA PHE 638 8.257 1.379 -7.204 841 HB2 PHE 638 2HB PHE 638 5.963 0.318 -6.919 842 HB3 PHE 638 3HB PHE 638 6.751 -1.142 -7.485 843 HD1 PHE 638 2HD PHE 638 9.429 -1.043 -6.101 844 HD2 PHE 638 1HD PHE 638 5.497 0.027 -4.676 845 HE1 PHE 638 2HE PHE 638 10.115 -1.595 -3.817 846 HE2 PHE 638 1HE PHE 638 6.195 -0.565 -2.374 847 HZ PHE 638 HZ PHE 638 8.505 -1.423 -1.960 848 H ASN 639 H ASN 639 7.779 -1.126 -9.752 849 HA ASN 639 HA ASN 639 10.377 -2.307 -9.545 850 HB2 ASN 639 2HB ASN 639 8.230 -2.223 -11.729 851 HB3 ASN 639 3HB ASN 639 9.719 -3.121 -11.924 852 HD21 ASN 639 HD21 ASN 639 6.561 -3.261 -10.493 853 HD22 ASN 639 HD22 ASN 639 6.798 -4.944 -10.049 854 H GLU 640 H GLU 640 9.349 0.647 -11.013 855 HA GLU 640 HA GLU 640 11.545 1.005 -12.921 856 HB2 GLU 640 2HB GLU 640 9.728 2.042 -13.748 857 HB3 GLU 640 3HB GLU 640 8.991 2.215 -12.182 858 HG2 GLU 640 2HG GLU 640 10.361 4.191 -11.708 859 HG3 GLU 640 3HG GLU 640 10.975 4.147 -13.374 860 H VAL 641 H VAL 641 10.603 2.449 -9.776 861 HA VAL 641 HA VAL 641 13.132 3.824 -9.446 862 HB VAL 641 HB VAL 641 11.170 4.610 -8.343 863 HG11 VAL 641 1HG1 VAL 641 9.955 2.592 -7.803 864 HG12 VAL 641 2HG1 VAL 641 11.205 2.095 -6.644 865 HG13 VAL 641 3HG1 VAL 641 10.223 3.547 -6.357 866 HG21 VAL 641 3HG2 VAL 641 13.116 3.659 -6.226 867 HG22 VAL 641 1HG2 VAL 641 13.418 5.027 -7.335 868 HG23 VAL 641 2HG2 VAL 641 12.070 5.062 -6.147 869 H LEU 642 H LEU 642 12.070 0.577 -8.687 870 HA LEU 642 HA LEU 642 14.203 -0.566 -7.260 871 HB2 LEU 642 2HB LEU 642 12.059 -1.448 -8.615 872 HB3 LEU 642 3HB LEU 642 13.448 -2.232 -9.375 873 HG LEU 642 HG LEU 642 14.283 -2.909 -7.127 874 HD11 LEU 642 1HD1 LEU 642 11.787 -1.510 -6.101 875 HD12 LEU 642 2HD1 LEU 642 13.467 -1.328 -5.493 876 HD13 LEU 642 3HD1 LEU 642 12.601 -2.816 -5.190 877 HD21 LEU 642 3HD2 LEU 642 12.655 -4.132 -8.480 878 HD22 LEU 642 1HD2 LEU 642 11.362 -3.333 -7.534 879 HD23 LEU 642 2HD2 LEU 642 12.485 -4.472 -6.723 880 H GLU 643 H GLU 643 14.154 0.363 -10.699 881 HA GLU 643 HA GLU 643 16.827 -0.713 -11.232 882 HB2 GLU 643 2HB GLU 643 14.952 0.964 -12.905 883 HB3 GLU 643 3HB GLU 643 16.476 0.307 -13.496 884 HG2 GLU 643 2HG GLU 643 14.795 -1.748 -12.327 885 HG3 GLU 643 3HG GLU 643 13.858 -0.823 -13.472 886 H GLU 644 H GLU 644 15.774 2.331 -9.872 887 HA GLU 644 HA GLU 644 18.103 3.862 -10.799 888 HB2 GLU 644 2HB GLU 644 15.957 4.376 -8.758 889 HB3 GLU 644 3HB GLU 644 17.236 5.508 -9.144 890 HG2 GLU 644 2HG GLU 644 15.677 4.538 -11.495 891 HG3 GLU 644 3HG GLU 644 14.740 5.318 -10.274 892 H TYR 645 H TYR 645 17.310 1.684 -8.269 893 HA TYR 645 HA TYR 645 19.912 2.020 -6.852 894 HB2 TYR 645 2HB TYR 645 17.252 1.712 -5.418 895 HB3 TYR 645 3HB TYR 645 18.835 1.940 -4.692 896 HD1 TYR 645 HD1 TYR 645 16.170 3.521 -6.698 897 HD2 TYR 645 HD2 TYR 645 19.714 4.198 -4.371 898 HE1 TYR 645 HE1 TYR 645 15.803 5.954 -6.917 899 HE2 TYR 645 HE2 TYR 645 19.289 6.672 -4.482 900 HH TYR 645 HH TYR 645 16.702 8.015 -6.553 901 HA PRO 646 HA PRO 646 18.472 -2.211 -8.344 902 HB2 PRO 646 2HB PRO 646 20.921 -3.156 -9.308 903 HB3 PRO 646 3HB PRO 646 19.707 -2.222 -10.231 904 HG2 PRO 646 2HG PRO 646 22.148 -1.168 -8.765 905 HG3 PRO 646 3HG PRO 646 21.610 -0.798 -10.439 906 HD2 PRO 646 2HD PRO 646 21.018 0.909 -8.467 907 HD3 PRO 646 3HD PRO 646 19.753 0.474 -9.646 908 H MET 647 H MET 647 20.921 -1.490 -5.944 909 HA MET 647 HA MET 647 21.314 -4.071 -4.772 910 HB2 MET 647 2HB MET 647 22.471 -2.052 -3.995 911 HB3 MET 647 3HB MET 647 20.926 -1.298 -3.595 912 HG2 MET 647 2HG MET 647 20.604 -3.232 -1.903 913 HG3 MET 647 3HG MET 647 22.318 -3.576 -2.172 914 HE1 MET 647 3HE MET 647 19.979 -0.389 -1.743 915 HE2 MET 647 1HE MET 647 19.612 -1.548 -0.449 916 HE3 MET 647 2HE MET 647 20.354 0.018 -0.057 917 H MET 648 H MET 648 18.555 -1.768 -4.499 918 HA MET 648 HA MET 648 17.168 -3.295 -2.465 919 HB2 MET 648 2HB MET 648 16.285 -1.133 -4.409 920 HB3 MET 648 3HB MET 648 15.220 -1.830 -3.192 921 HG2 MET 648 2HG MET 648 17.763 -0.261 -2.690 922 HG3 MET 648 3HG MET 648 16.115 0.295 -2.462 923 HE1 MET 648 3HE MET 648 15.044 -2.079 0.649 924 HE2 MET 648 1HE MET 648 14.404 -1.089 -0.684 925 HE3 MET 648 2HE MET 648 15.053 -2.720 -1.002 926 H ARG 649 H ARG 649 17.287 -3.579 -5.979 927 HA ARG 649 HA ARG 649 14.769 -4.880 -6.358 928 HB2 ARG 649 2HB ARG 649 16.162 -3.794 -8.108 929 HB3 ARG 649 3HB ARG 649 17.318 -5.097 -8.024 930 HG2 ARG 649 2HG ARG 649 14.403 -5.686 -8.625 931 HG3 ARG 649 3HG ARG 649 15.463 -5.024 -9.872 932 HD2 ARG 649 2HD ARG 649 17.024 -6.930 -9.569 933 HD3 ARG 649 3HD ARG 649 15.899 -7.642 -8.387 934 HE ARG 649 HE ARG 649 14.516 -7.010 -10.823 935 HH11 ARG 649 1HH1 ARG 649 16.830 -9.447 -9.757 936 HH12 ARG 649 2HH1 ARG 649 16.216 -10.578 -10.951 937 HH21 ARG 649 1HH2 ARG 649 13.928 -8.388 -12.267 938 HH22 ARG 649 2HH2 ARG 649 14.565 -10.033 -12.281 939 H ARG 650 H ARG 650 17.963 -6.392 -5.901 940 HA ARG 650 HA ARG 650 16.987 -9.078 -5.807 941 HB2 ARG 650 2HB ARG 650 19.056 -9.633 -4.564 942 HB3 ARG 650 3HB ARG 650 19.302 -8.810 -6.096 943 HG2 ARG 650 2HG ARG 650 19.923 -6.756 -5.028 944 HG3 ARG 650 3HG ARG 650 19.397 -7.345 -3.429 945 HD2 ARG 650 2HD ARG 650 21.105 -9.038 -3.415 946 HD3 ARG 650 3HD ARG 650 21.632 -8.619 -5.052 947 HE ARG 650 HE ARG 650 22.168 -7.185 -2.524 948 HH11 ARG 650 1HH1 ARG 650 22.558 -7.015 -6.068 949 HH12 ARG 650 2HH1 ARG 650 23.633 -5.627 -5.878 950 HH21 ARG 650 1HH2 ARG 650 23.754 -5.568 -2.524 951 HH22 ARG 650 2HH2 ARG 650 24.258 -4.918 -4.083 952 H ALA 651 H ALA 651 17.157 -6.724 -3.239 953 HA ALA 651 HA ALA 651 16.437 -8.411 -1.046 954 HB1 ALA 651 1HB ALA 651 16.055 -6.333 0.145 955 HB2 ALA 651 2HB ALA 651 17.498 -6.147 -0.868 956 HB3 ALA 651 3HB ALA 651 15.950 -5.417 -1.362 957 H PHE 652 H PHE 652 14.435 -6.873 -3.521 958 HA PHE 652 HA PHE 652 11.915 -7.733 -2.222 959 HB2 PHE 652 2HB PHE 652 12.672 -6.022 -4.583 960 HB3 PHE 652 3HB PHE 652 11.085 -6.771 -4.547 961 HD1 PHE 652 1HD PHE 652 9.424 -6.215 -2.810 962 HD2 PHE 652 2HD PHE 652 13.199 -4.164 -3.054 963 HE1 PHE 652 1HE PHE 652 8.557 -4.425 -1.324 964 HE2 PHE 652 2HE PHE 652 12.343 -2.388 -1.549 965 HZ PHE 652 HZ PHE 652 10.032 -2.534 -0.648 966 H GLU 653 H GLU 653 14.106 -8.911 -4.717 967 HA GLU 653 HA GLU 653 12.247 -10.880 -5.804 968 HB2 GLU 653 2HB GLU 653 15.261 -10.518 -5.916 969 HB3 GLU 653 3HB GLU 653 14.426 -11.814 -6.759 970 HG2 GLU 653 2HG GLU 653 13.940 -8.840 -7.190 971 HG3 GLU 653 3HG GLU 653 14.946 -9.865 -8.192 972 H THR 654 H THR 654 14.568 -10.928 -3.171 973 HA THR 654 HA THR 654 14.681 -13.818 -2.863 974 HB THR 654 HB THR 654 16.483 -12.263 -2.272 975 HG1 THR 654 1HG THR 654 17.085 -13.291 -0.471 976 HG21 THR 654 1HG2 THR 654 16.469 -10.901 -0.351 977 HG22 THR 654 2HG2 THR 654 14.965 -11.622 0.269 978 HG23 THR 654 3HG2 THR 654 14.929 -10.556 -1.149 979 H VAL 655 H VAL 655 12.946 -11.242 -1.163 980 HA VAL 655 HA VAL 655 11.454 -12.858 0.655 981 HB VAL 655 HB VAL 655 11.796 -10.502 0.970 982 HG11 VAL 655 1HG1 VAL 655 10.718 -8.767 -0.276 983 HG12 VAL 655 2HG1 VAL 655 11.811 -9.722 -1.283 984 HG13 VAL 655 3HG1 VAL 655 10.042 -9.951 -1.417 985 HG21 VAL 655 3HG2 VAL 655 9.760 -11.556 1.959 986 HG22 VAL 655 1HG2 VAL 655 9.582 -9.818 1.668 987 HG23 VAL 655 2HG2 VAL 655 8.825 -10.981 0.558 988 H ALA 656 H ALA 656 10.792 -11.830 -2.670 989 HA ALA 656 HA ALA 656 8.166 -12.926 -2.804 990 HB1 ALA 656 1HB ALA 656 10.149 -12.268 -5.023 991 HB2 ALA 656 2HB ALA 656 8.405 -12.540 -5.234 992 HB3 ALA 656 3HB ALA 656 8.970 -11.156 -4.286 993 H ILE 657 H ILE 657 10.785 -14.778 -2.248 994 HA ILE 657 HA ILE 657 9.113 -17.078 -3.037 995 HB ILE 657 HB ILE 657 10.914 -17.169 -4.611 996 HG12 ILE 657 2HG1 ILE 657 11.159 -19.371 -2.513 997 HG13 ILE 657 3HG1 ILE 657 9.788 -19.185 -3.613 998 HG21 ILE 657 1HG2 ILE 657 12.708 -16.025 -3.355 999 HG22 ILE 657 2HG2 ILE 657 12.830 -17.409 -2.249 1000 HG23 ILE 657 3HG2 ILE 657 13.245 -17.585 -3.964 1001 HD11 ILE 657 3HD1 ILE 657 11.239 -20.839 -4.524 1002 HD12 ILE 657 1HD1 ILE 657 11.364 -19.394 -5.548 1003 HD13 ILE 657 2HD1 ILE 657 12.655 -19.788 -4.379 1004 H ASP 658 H ASP 658 11.657 -15.879 -0.739 1005 HA ASP 658 HA ASP 658 11.379 -17.941 1.163 1006 HB2 ASP 658 2HB ASP 658 12.066 -14.992 1.399 1007 HB3 ASP 658 3HB ASP 658 11.987 -16.030 2.810 1008 H ARG 659 H ARG 659 9.323 -15.059 0.769 1009 HA ARG 659 HA ARG 659 7.679 -15.495 3.131 1010 HB2 ARG 659 2HB ARG 659 8.279 -13.349 1.787 1011 HB3 ARG 659 3HB ARG 659 7.015 -13.854 0.670 1012 HG2 ARG 659 2HG ARG 659 5.461 -13.774 2.799 1013 HG3 ARG 659 3HG ARG 659 6.823 -12.910 3.545 1014 HD2 ARG 659 2HD ARG 659 6.800 -11.458 1.392 1015 HD3 ARG 659 3HD ARG 659 5.242 -12.182 1.051 1016 HE ARG 659 HE ARG 659 5.891 -10.549 3.516 1017 HH11 ARG 659 1HH1 ARG 659 3.363 -11.419 1.166 1018 HH12 ARG 659 2HH1 ARG 659 2.281 -10.260 1.902 1019 HH21 ARG 659 1HH2 ARG 659 4.476 -9.053 4.200 1020 HH22 ARG 659 2HH2 ARG 659 2.929 -8.855 3.383 1021 H LEU 660 H LEU 660 7.744 -17.158 0.225 1022 HA LEU 660 HA LEU 660 4.818 -17.698 0.093 1023 HB2 LEU 660 2HB LEU 660 7.103 -18.262 -1.824 1024 HB3 LEU 660 3HB LEU 660 5.493 -18.884 -2.053 1025 HG LEU 660 HG LEU 660 5.977 -16.928 -3.422 1026 HD11 LEU 660 1HD1 LEU 660 3.875 -15.749 -3.051 1027 HD12 LEU 660 2HD1 LEU 660 3.748 -16.403 -1.409 1028 HD13 LEU 660 3HD1 LEU 660 3.649 -17.485 -2.818 1029 HD21 LEU 660 3HD2 LEU 660 6.165 -14.710 -2.615 1030 HD22 LEU 660 1HD2 LEU 660 7.348 -15.672 -1.696 1031 HD23 LEU 660 2HD2 LEU 660 5.808 -15.194 -0.950 1032 H ASP 661 H ASP 661 7.498 -19.157 1.528 1033 HA ASP 661 HA ASP 661 7.928 -21.219 2.419 1034 HB2 ASP 661 2HB ASP 661 5.620 -20.603 3.362 1035 HB3 ASP 661 3HB ASP 661 4.967 -21.828 2.274 1036 H ARG 662 H ARG 662 6.718 -23.893 1.874 1037 HA ARG 662 HA ARG 662 8.345 -24.494 -0.378 1038 HB2 ARG 662 2HB ARG 662 7.734 -26.724 -0.044 1039 HB3 ARG 662 3HB ARG 662 7.857 -25.977 1.545 1040 HG2 ARG 662 2HG ARG 662 5.358 -25.781 1.623 1041 HG3 ARG 662 3HG ARG 662 5.247 -26.599 0.052 1042 HD2 ARG 662 2HD ARG 662 6.589 -27.737 2.510 1043 HD3 ARG 662 3HD ARG 662 4.916 -28.088 2.058 1044 HE ARG 662 HE ARG 662 7.358 -28.845 0.455 1045 HH11 ARG 662 1HH1 ARG 662 4.001 -29.764 1.354 1046 HH12 ARG 662 2HH1 ARG 662 4.218 -31.246 0.446 1047 HH21 ARG 662 1HH2 ARG 662 7.259 -30.701 -0.794 1048 HH22 ARG 662 2HH2 ARG 662 5.855 -31.733 -0.609 1049 H ILE 663 H ILE 663 5.092 -23.358 -0.472 1050 HA ILE 663 HA ILE 663 4.375 -24.664 -2.935 1051 HB ILE 663 HB ILE 663 2.362 -23.552 -2.870 1052 HG12 ILE 663 2HG1 ILE 663 1.939 -22.640 -0.605 1053 HG13 ILE 663 3HG1 ILE 663 3.589 -22.274 -0.414 1054 HG21 ILE 663 1HG2 ILE 663 1.586 -24.838 -0.952 1055 HG22 ILE 663 2HG2 ILE 663 2.917 -25.747 -1.679 1056 HG23 ILE 663 3HG2 ILE 663 3.183 -24.780 -0.201 1057 HD11 ILE 663 3HD1 ILE 663 2.238 -20.281 -1.192 1058 HD12 ILE 663 1HD1 ILE 663 3.466 -20.709 -2.388 1059 HD13 ILE 663 2HD1 ILE 663 1.771 -21.183 -2.644 1060 H GLY 664 H GLY 664 6.268 -21.915 -2.240 1061 HA2 GLY 664 2HA GLY 664 6.043 -20.605 -4.867 1062 HA3 GLY 664 3HA GLY 664 7.339 -20.402 -3.679 1063 H LYS 665 H LYS 665 6.251 -22.162 -6.456 1064 HA LYS 665 HA LYS 665 8.630 -23.954 -6.480 1065 HB2 LYS 665 2HB LYS 665 7.276 -25.895 -6.600 1066 HB3 LYS 665 3HB LYS 665 6.732 -24.934 -5.232 1067 HG2 LYS 665 2HG LYS 665 4.876 -24.036 -6.797 1068 HG3 LYS 665 3HG LYS 665 5.319 -25.335 -7.893 1069 HD2 LYS 665 2HD LYS 665 4.303 -25.571 -5.036 1070 HD3 LYS 665 3HD LYS 665 3.430 -26.011 -6.495 1071 HE2 LYS 665 2HE LYS 665 5.977 -27.377 -5.496 1072 HE3 LYS 665 3HE LYS 665 4.340 -27.953 -5.191 1073 HZ1 LYS 665 3HZ LYS 665 5.511 -27.653 -7.902 1074 HZ2 LYS 665 1HZ LYS 665 4.010 -28.274 -7.534 1075 HZ3 LYS 665 2HZ LYS 665 5.370 -29.058 -7.093 1076 H LYS 666 H LYS 666 8.011 -21.692 -8.278 1077 HA LYS 666 HA LYS 666 7.026 -22.521 -10.805 1078 HB2 LYS 666 2HB LYS 666 7.372 -20.178 -10.048 1079 HB3 LYS 666 3HB LYS 666 9.124 -20.396 -10.195 1080 HG2 LYS 666 2HG LYS 666 8.878 -20.792 -12.624 1081 HG3 LYS 666 3HG LYS 666 7.115 -20.649 -12.479 1082 HD2 LYS 666 2HD LYS 666 7.423 -18.309 -11.635 1083 HD3 LYS 666 3HD LYS 666 9.166 -18.453 -11.912 1084 HE2 LYS 666 2HE LYS 666 7.007 -18.784 -14.050 1085 HE3 LYS 666 3HE LYS 666 7.880 -17.279 -13.743 1086 HZ1 LYS 666 3HZ LYS 666 9.956 -18.454 -14.320 1087 HZ2 LYS 666 1HZ LYS 666 8.862 -18.501 -15.562 1088 HZ3 LYS 666 2HZ LYS 666 9.130 -19.824 -14.649 1089 H ASN 667 H ASN 667 10.346 -22.842 -9.534 1090 HA ASN 667 HA ASN 667 10.929 -24.801 -11.663 1091 HB2 ASN 667 2HB ASN 667 11.551 -22.613 -12.667 1092 HB3 ASN 667 3HB ASN 667 12.573 -22.262 -11.271 1093 HD21 ASN 667 HD21 ASN 667 14.734 -22.525 -11.836 1094 HD22 ASN 667 HD22 ASN 667 15.289 -23.885 -12.830 1095 H SER 668 H SER 668 12.404 -26.363 -11.034 1096 HA SER 668 HA SER 668 13.443 -26.294 -8.281 1097 HB2 SER 668 2HB SER 668 12.407 -28.310 -9.465 1098 HB3 SER 668 3HB SER 668 13.978 -28.483 -10.273 1099 HG SER 668 HG SER 668 13.352 -28.417 -7.494 1100 H ILE 669 H ILE 669 14.981 -26.705 -11.499 1101 HA ILE 669 HA ILE 669 17.537 -25.599 -10.426 1102 HB ILE 669 HB ILE 669 18.742 -27.518 -11.394 1103 HG12 ILE 669 2HG1 ILE 669 16.009 -28.837 -11.752 1104 HG13 ILE 669 3HG1 ILE 669 16.995 -28.199 -13.069 1105 HG21 ILE 669 1HG2 ILE 669 16.671 -28.397 -9.334 1106 HG22 ILE 669 2HG2 ILE 669 18.311 -29.043 -9.565 1107 HG23 ILE 669 3HG2 ILE 669 18.090 -27.393 -8.982 1108 HD11 ILE 669 3HD1 ILE 669 17.736 -30.516 -11.242 1109 HD12 ILE 669 1HD1 ILE 669 17.285 -30.588 -12.952 1110 HD13 ILE 669 2HD1 ILE 669 18.805 -29.806 -12.481 1111 H LEU 670 H LEU 670 19.213 -25.222 -12.090 1112 HA LEU 670 HA LEU 670 18.277 -24.817 -14.832 1113 HB2 LEU 670 2HB LEU 670 18.374 -22.507 -14.918 1114 HB3 LEU 670 3HB LEU 670 17.468 -22.834 -13.467 1115 HG LEU 670 HG LEU 670 20.380 -21.949 -13.639 1116 HD11 LEU 670 1HD1 LEU 670 19.527 -19.856 -12.679 1117 HD12 LEU 670 2HD1 LEU 670 17.877 -20.510 -12.664 1118 HD13 LEU 670 3HD1 LEU 670 18.714 -20.219 -14.206 1119 HD21 LEU 670 3HD2 LEU 670 20.211 -21.622 -11.176 1120 HD22 LEU 670 1HD2 LEU 670 20.131 -23.315 -11.627 1121 HD23 LEU 670 2HD2 LEU 670 18.638 -22.446 -11.183 1122 H LEU 671 H LEU 671 19.913 -23.851 -16.253 1123 HA LEU 671 HA LEU 671 22.250 -25.458 -16.179 1124 HB2 LEU 671 2HB LEU 671 20.792 -24.037 -18.088 1125 HB3 LEU 671 3HB LEU 671 22.273 -23.128 -18.030 1126 HG LEU 671 HG LEU 671 22.266 -24.734 -19.822 1127 HD11 LEU 671 1HD1 LEU 671 24.466 -24.314 -18.687 1128 HD12 LEU 671 2HD1 LEU 671 24.347 -25.844 -19.564 1129 HD13 LEU 671 3HD1 LEU 671 24.242 -25.849 -17.803 1130 HD21 LEU 671 3HD2 LEU 671 22.037 -26.974 -17.774 1131 HD22 LEU 671 1HD2 LEU 671 22.172 -27.129 -19.534 1132 HD23 LEU 671 2HD2 LEU 671 20.725 -26.394 -18.827 1133 H HIS 672 H HIS 672 24.406 -24.898 -16.335 1134 HA HIS 672 HA HIS 672 25.669 -23.206 -14.481 1135 HB2 HIS 672 2HB HIS 672 26.499 -25.284 -15.494 1136 HB3 HIS 672 3HB HIS 672 26.580 -24.533 -17.064 1137 HD1 HIS 672 1HD HIS 672 28.067 -22.204 -14.543 1138 HD2 HIS 672 2HD HIS 672 29.172 -25.605 -16.745 1139 HE1 HIS 672 1HE HIS 672 30.619 -22.219 -14.611
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