NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
643275 | 6u4m | 30658 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H TYR 541 HT1 TYR 541 43.657 0.966 -20.405 2 HA TYR 541 HA TYR 541 44.235 3.516 -18.996 3 HB2 TYR 541 HB2 TYR 541 41.942 1.538 -18.800 4 HB3 TYR 541 HB1 TYR 541 42.238 2.825 -17.630 5 HD1 TYR 541 HD1 TYR 541 41.031 2.010 -20.983 6 HD2 TYR 541 HD2 TYR 541 42.084 5.213 -18.319 7 HE1 TYR 541 HE1 TYR 541 39.846 3.620 -22.449 8 HE2 TYR 541 HE2 TYR 541 40.898 6.822 -19.787 9 HH TYR 541 HH TYR 541 38.767 6.379 -21.652 10 H HIS 542 HN HIS 542 44.576 3.099 -16.646 11 HA HIS 542 HA HIS 542 46.395 0.843 -16.264 12 HB2 HIS 542 HB2 HIS 542 46.942 1.855 -14.182 13 HB3 HIS 542 HB1 HIS 542 46.644 3.206 -15.273 14 HD1 HIS 542 HD1 HIS 542 43.710 3.594 -15.265 15 HD2 HIS 542 HD2 HIS 542 45.733 2.494 -11.791 16 HE1 HIS 542 HE1 HIS 542 42.215 4.250 -13.328 17 H GLU 543 HN GLU 543 45.778 0.314 -13.491 18 HA GLU 543 HA GLU 543 43.701 -1.693 -13.864 19 HB2 GLU 543 HB2 GLU 543 44.194 -2.316 -11.542 20 HB3 GLU 543 HB1 GLU 543 45.694 -2.105 -12.444 21 HG2 GLU 543 HG2 GLU 543 46.342 -0.344 -11.176 22 HG3 GLU 543 HG1 GLU 543 44.736 0.379 -11.218 23 H ARG 544 HN ARG 544 42.645 -1.418 -11.098 24 HA ARG 544 HA ARG 544 40.419 0.345 -11.723 25 HB2 ARG 544 HB2 ARG 544 41.159 -1.488 -9.487 26 HB3 ARG 544 HB1 ARG 544 39.974 -0.225 -9.149 27 HG2 ARG 544 HG2 ARG 544 39.725 -1.973 -11.594 28 HG3 ARG 544 HG1 ARG 544 39.098 -2.498 -10.033 29 HD2 ARG 544 HD2 ARG 544 38.130 0.062 -10.175 30 HD3 ARG 544 HD1 ARG 544 38.080 -0.418 -11.867 31 HE ARG 544 HE ARG 544 36.183 -1.196 -9.949 32 HH11 ARG 544 HH11 ARG 544 34.976 -3.082 -10.039 33 HH12 ARG 544 HH12 ARG 544 35.515 -4.401 -11.024 34 HH21 ARG 544 HH21 ARG 544 38.346 -2.767 -12.148 35 HH22 ARG 544 HH22 ARG 544 37.417 -4.224 -12.208 36 H ARG 545 HN ARG 545 42.973 0.394 -9.212 37 HA ARG 545 HA ARG 545 42.536 3.349 -8.994 38 HB2 ARG 545 HB2 ARG 545 43.665 1.668 -6.766 39 HB3 ARG 545 HB1 ARG 545 42.912 3.261 -6.674 40 HG2 ARG 545 HG2 ARG 545 40.777 2.086 -7.545 41 HG3 ARG 545 HG1 ARG 545 41.589 0.586 -7.098 42 HD2 ARG 545 HD2 ARG 545 41.648 1.158 -4.810 43 HD3 ARG 545 HD1 ARG 545 41.370 2.868 -5.142 44 HE ARG 545 HE ARG 545 39.081 1.612 -6.092 45 HH11 ARG 545 HH11 ARG 545 37.256 1.276 -4.817 46 HH12 ARG 545 HH12 ARG 545 37.416 1.204 -3.094 47 HH21 ARG 545 HH21 ARG 545 40.842 1.703 -3.121 48 HH22 ARG 545 HH22 ARG 545 39.442 1.444 -2.136 49 H GLY 546 HN GLY 546 45.014 0.946 -8.059 50 HA2 GLY 546 HA2 GLY 546 47.177 0.952 -9.329 51 HA3 GLY 546 HA1 GLY 546 47.043 2.708 -9.370 52 H SER 547 HN SER 547 45.943 2.428 -6.477 53 HA SER 547 HA SER 547 46.789 2.529 -4.300 54 HB2 SER 547 HB2 SER 547 48.307 0.431 -5.581 55 HB3 SER 547 HB1 SER 547 49.343 1.340 -4.490 56 HG SER 547 HG SER 547 47.470 -0.451 -3.898 57 H LEU 548 HN LEU 548 47.509 4.477 -3.599 58 HA LEU 548 HA LEU 548 49.326 6.087 -5.165 59 HB2 LEU 548 HB2 LEU 548 47.984 6.378 -2.501 60 HB3 LEU 548 HB1 LEU 548 49.322 7.448 -2.897 61 HG LEU 548 HG LEU 548 48.191 8.206 -4.914 62 HD11 LEU 548 HD11 LEU 548 46.175 6.086 -4.159 63 HD12 LEU 548 HD12 LEU 548 47.045 6.273 -5.682 64 HD13 LEU 548 HD13 LEU 548 45.774 7.414 -5.248 65 HD21 LEU 548 HD21 LEU 548 47.621 9.300 -2.752 66 HD22 LEU 548 HD22 LEU 548 46.269 8.183 -2.565 67 HD23 LEU 548 HD23 LEU 548 46.276 9.345 -3.891 68 H CYS 549 HN CYS 549 51.500 6.414 -4.901 69 HA CYS 549 HA CYS 549 52.995 4.484 -3.293 70 HB2 CYS 549 HB2 CYS 549 54.223 4.892 -5.193 71 HB3 CYS 549 HB1 CYS 549 53.595 6.527 -5.371 72 H SER 550 HN SER 550 53.125 4.889 -1.126 73 HA SER 550 HA SER 550 52.583 7.334 0.130 74 HB2 SER 550 HB2 SER 550 54.551 5.230 1.070 75 HB3 SER 550 HB1 SER 550 53.822 6.474 2.077 76 HG SER 550 HG SER 550 52.677 4.205 0.880 77 H GLY 551 HN GLY 551 53.543 9.195 -0.317 78 HA2 GLY 551 HA2 GLY 551 55.684 10.509 0.083 79 HA3 GLY 551 HA1 GLY 551 56.486 9.244 -0.862 80 H CYS 552 HN CYS 552 54.175 8.938 -2.655 81 HA CYS 552 HA CYS 552 54.624 11.355 -4.359 82 HB2 CYS 552 HB2 CYS 552 54.189 8.458 -4.894 83 HB3 CYS 552 HB1 CYS 552 53.457 9.589 -6.031 84 H GLN 553 HN GLN 553 52.202 9.367 -2.788 85 HA GLN 553 HA GLN 553 49.893 9.638 -2.536 86 HB2 GLN 553 HB2 GLN 553 50.669 12.497 -3.203 87 HB3 GLN 553 HB1 GLN 553 49.055 12.014 -2.688 88 HG2 GLN 553 HG2 GLN 553 50.119 12.683 -0.685 89 HG3 GLN 553 HG1 GLN 553 50.225 10.926 -0.660 90 HE21 GLN 553 HE21 GLN 553 52.233 10.531 0.326 91 HE22 GLN 553 HE22 GLN 553 53.702 11.208 -0.190 92 H LYS 554 HN LYS 554 51.098 8.932 -5.129 93 HA LYS 554 HA LYS 554 48.777 9.625 -6.869 94 HB2 LYS 554 HB2 LYS 554 51.717 9.616 -7.624 95 HB3 LYS 554 HB1 LYS 554 50.414 9.602 -8.812 96 HG2 LYS 554 HG2 LYS 554 50.747 11.723 -6.670 97 HG3 LYS 554 HG1 LYS 554 51.287 11.902 -8.338 98 HD2 LYS 554 HD2 LYS 554 48.784 11.204 -8.878 99 HD3 LYS 554 HD1 LYS 554 48.499 11.809 -7.246 100 HE2 LYS 554 HE2 LYS 554 48.190 13.715 -8.603 101 HE3 LYS 554 HE1 LYS 554 49.840 13.895 -8.005 102 HZ1 LYS 554 HZ1 LYS 554 49.984 14.269 -10.289 103 HZ2 LYS 554 HZ2 LYS 554 48.941 12.983 -10.670 104 HZ3 LYS 554 HZ3 LYS 554 50.511 12.667 -10.105 105 HA PRO 555 HA PRO 555 48.269 5.253 -7.142 106 HB2 PRO 555 HB2 PRO 555 47.928 5.582 -10.046 107 HB3 PRO 555 HB1 PRO 555 46.806 4.948 -8.837 108 HG2 PRO 555 HG2 PRO 555 46.638 7.454 -10.045 109 HG3 PRO 555 HG1 PRO 555 45.801 6.972 -8.567 110 HD2 PRO 555 HD2 PRO 555 47.985 8.876 -8.868 111 HD3 PRO 555 HD1 PRO 555 47.045 8.491 -7.405 112 H ILE 556 HN ILE 556 49.339 3.393 -7.848 113 HA ILE 556 HA ILE 556 51.999 3.872 -9.104 114 HB ILE 556 HB ILE 556 50.959 1.711 -7.250 115 HG12 ILE 556 HG12 ILE 556 53.305 3.544 -6.769 116 HG13 ILE 556 HG11 ILE 556 51.667 4.119 -6.475 117 HG21 ILE 556 HG21 ILE 556 53.457 1.033 -7.287 118 HG22 ILE 556 HG22 ILE 556 53.556 1.963 -8.781 119 HG23 ILE 556 HG23 ILE 556 52.478 0.572 -8.679 120 HD11 ILE 556 HD11 ILE 556 51.742 1.586 -5.280 121 HD12 ILE 556 HD12 ILE 556 51.795 3.139 -4.448 122 HD13 ILE 556 HD13 ILE 556 53.294 2.316 -4.874 123 H THR 557 HN THR 557 51.423 3.668 -11.291 124 HA THR 557 HA THR 557 49.782 1.417 -12.198 125 HB THR 557 HB THR 557 50.298 2.343 -14.475 126 HG1 THR 557 HG1 THR 557 52.335 3.201 -13.997 127 HG21 THR 557 HG21 THR 557 49.415 4.434 -12.467 128 HG22 THR 557 HG22 THR 557 48.380 3.142 -13.074 129 HG23 THR 557 HG23 THR 557 48.995 4.371 -14.178 130 H GLY 558 HN GLY 558 50.936 -0.455 -11.695 131 HA2 GLY 558 HA2 GLY 558 52.384 -1.966 -13.230 132 HA3 GLY 558 HA1 GLY 558 53.645 -0.773 -12.902 133 H ARG 559 HN ARG 559 54.964 -2.309 -11.763 134 HA ARG 559 HA ARG 559 54.071 -3.973 -9.637 135 HB2 ARG 559 HB2 ARG 559 56.678 -2.835 -10.521 136 HB3 ARG 559 HB1 ARG 559 56.594 -3.372 -8.844 137 HG2 ARG 559 HG2 ARG 559 55.385 -5.242 -10.778 138 HG3 ARG 559 HG1 ARG 559 57.123 -5.017 -10.976 139 HD2 ARG 559 HD2 ARG 559 56.960 -5.248 -8.270 140 HD3 ARG 559 HD1 ARG 559 55.617 -6.278 -8.751 141 HE ARG 559 HE ARG 559 58.317 -7.053 -8.832 142 HH11 ARG 559 HH11 ARG 559 59.166 -8.582 -10.232 143 HH12 ARG 559 HH12 ARG 559 58.301 -9.003 -11.672 144 HH21 ARG 559 HH21 ARG 559 55.670 -6.849 -11.052 145 HH22 ARG 559 HH22 ARG 559 56.333 -8.022 -12.135 146 H CYS 560 HN CYS 560 54.323 -3.593 -7.291 147 HA CYS 560 HA CYS 560 54.603 -0.803 -6.414 148 HB2 CYS 560 HB2 CYS 560 52.396 -0.592 -5.477 149 HB3 CYS 560 HB1 CYS 560 52.204 -1.056 -7.167 150 HG CYS 560 HG CYS 560 52.238 -3.466 -5.286 151 H ILE 561 HN ILE 561 55.359 -0.713 -4.368 152 HA ILE 561 HA ILE 561 55.776 -3.281 -2.954 153 HB ILE 561 HB ILE 561 56.751 -0.604 -1.978 154 HG12 ILE 561 HG12 ILE 561 57.279 -0.727 -4.411 155 HG13 ILE 561 HG11 ILE 561 58.729 -0.814 -3.418 156 HG21 ILE 561 HG21 ILE 561 57.496 -3.490 -1.693 157 HG22 ILE 561 HG22 ILE 561 57.363 -2.240 -0.456 158 HG23 ILE 561 HG23 ILE 561 58.760 -2.273 -1.532 159 HD11 ILE 561 HD11 ILE 561 58.837 -2.503 -5.186 160 HD12 ILE 561 HD12 ILE 561 57.287 -3.168 -4.673 161 HD13 ILE 561 HD13 ILE 561 58.693 -3.293 -3.617 162 H THR 562 HN THR 562 55.064 -3.601 -0.791 163 HA THR 562 HA THR 562 53.048 -1.628 0.205 164 HB THR 562 HB THR 562 52.848 -4.655 0.280 165 HG1 THR 562 HG1 THR 562 52.357 -3.563 -1.727 166 HG21 THR 562 HG21 THR 562 50.457 -3.913 1.103 167 HG22 THR 562 HG22 THR 562 51.300 -2.441 1.588 168 HG23 THR 562 HG23 THR 562 51.794 -3.999 2.251 169 H ALA 563 HN ALA 563 54.140 -0.753 1.904 170 HA ALA 563 HA ALA 563 55.832 -2.467 3.612 171 HB1 ALA 563 HB1 ALA 563 56.567 -0.405 4.632 172 HB2 ALA 563 HB2 ALA 563 55.234 0.488 3.900 173 HB3 ALA 563 HB3 ALA 563 56.528 -0.152 2.887 174 H MET 564 HN MET 564 54.868 -0.258 5.723 175 HA MET 564 HA MET 564 53.124 -2.076 7.163 176 HB2 MET 564 HB2 MET 564 53.792 0.842 7.637 177 HB3 MET 564 HB1 MET 564 52.947 -0.196 8.782 178 HG2 MET 564 HG2 MET 564 54.910 -1.708 8.846 179 HG3 MET 564 HG1 MET 564 55.759 -0.639 7.730 180 HE1 MET 564 HE1 MET 564 55.402 -0.427 12.173 181 HE2 MET 564 HE2 MET 564 55.213 -1.751 11.026 182 HE3 MET 564 HE3 MET 564 53.875 -0.640 11.304 183 H ALA 565 HN ALA 565 51.804 -1.989 4.976 184 HA ALA 565 HA ALA 565 49.617 -1.622 4.171 185 HB1 ALA 565 HB1 ALA 565 49.118 0.659 6.041 186 HB2 ALA 565 HB2 ALA 565 49.238 -0.956 6.741 187 HB3 ALA 565 HB3 ALA 565 48.022 -0.617 5.510 188 H LYS 566 HN LYS 566 52.125 0.607 4.526 189 HA LYS 566 HA LYS 566 50.923 2.680 2.797 190 HB2 LYS 566 HB2 LYS 566 53.344 2.405 4.485 191 HB3 LYS 566 HB1 LYS 566 53.562 3.347 3.011 192 HG2 LYS 566 HG2 LYS 566 51.592 4.733 3.629 193 HG3 LYS 566 HG1 LYS 566 51.444 3.820 5.131 194 HD2 LYS 566 HD2 LYS 566 54.043 5.161 4.399 195 HD3 LYS 566 HD1 LYS 566 52.750 6.069 5.184 196 HE2 LYS 566 HE2 LYS 566 52.982 4.954 7.175 197 HE3 LYS 566 HE1 LYS 566 53.424 3.437 6.393 198 HZ1 LYS 566 HZ1 LYS 566 55.155 5.818 6.768 199 HZ2 LYS 566 HZ2 LYS 566 55.589 4.459 5.845 200 HZ3 LYS 566 HZ3 LYS 566 55.326 4.306 7.517 201 H LYS 567 HN LYS 567 51.301 2.798 0.607 202 HA LYS 567 HA LYS 567 52.890 0.612 -0.595 203 HB2 LYS 567 HB2 LYS 567 50.813 2.530 -1.620 204 HB3 LYS 567 HB1 LYS 567 51.870 1.682 -2.749 205 HG2 LYS 567 HG2 LYS 567 49.725 0.465 -2.311 206 HG3 LYS 567 HG1 LYS 567 51.157 -0.471 -1.882 207 HD2 LYS 567 HD2 LYS 567 50.842 -0.123 0.434 208 HD3 LYS 567 HD1 LYS 567 49.758 1.245 0.169 209 HE2 LYS 567 HE2 LYS 567 47.948 -0.106 -0.353 210 HE3 LYS 567 HE1 LYS 567 48.967 -1.430 -0.913 211 HZ1 LYS 567 HZ1 LYS 567 47.797 -1.680 1.327 212 HZ2 LYS 567 HZ2 LYS 567 48.966 -0.599 1.920 213 HZ3 LYS 567 HZ3 LYS 567 49.442 -2.085 1.247 214 H PHE 568 HN PHE 568 54.190 1.273 -2.589 215 HA PHE 568 HA PHE 568 55.325 3.995 -2.561 216 HB2 PHE 568 HB2 PHE 568 56.917 1.552 -1.712 217 HB3 PHE 568 HB1 PHE 568 57.673 3.036 -2.274 218 HD1 PHE 568 HD1 PHE 568 57.540 5.104 -0.935 219 HD2 PHE 568 HD2 PHE 568 55.819 1.419 0.450 220 HE1 PHE 568 HE1 PHE 568 57.387 6.035 1.359 221 HE2 PHE 568 HE2 PHE 568 55.661 2.353 2.741 222 HZ PHE 568 HZ PHE 568 56.447 4.660 3.196 223 H HIS 569 HN HIS 569 56.128 4.450 -4.631 224 HA HIS 569 HA HIS 569 55.682 2.622 -6.782 225 HB2 HIS 569 HB2 HIS 569 57.398 5.089 -6.481 226 HB3 HIS 569 HB1 HIS 569 57.501 4.118 -7.945 227 HD2 HIS 569 HD2 HIS 569 54.681 3.725 -9.086 228 HE1 HIS 569 HE1 HIS 569 53.587 7.588 -7.771 229 HE2 HIS 569 HE2 HIS 569 52.947 5.657 -9.301 230 HA PRO 570 HA PRO 570 58.891 -0.356 -5.969 231 HB2 PRO 570 HB2 PRO 570 59.257 -0.408 -8.910 232 HB3 PRO 570 HB1 PRO 570 58.854 -1.723 -7.798 233 HG2 PRO 570 HG2 PRO 570 57.034 -0.571 -9.499 234 HG3 PRO 570 HG1 PRO 570 56.605 -1.373 -7.987 235 HD2 PRO 570 HD2 PRO 570 56.533 1.501 -8.645 236 HD3 PRO 570 HD1 PRO 570 55.740 0.630 -7.308 237 H GLU 571 HN GLU 571 59.383 2.635 -7.504 238 HA GLU 571 HA GLU 571 62.354 2.314 -7.401 239 HB2 GLU 571 HB2 GLU 571 62.436 4.238 -8.961 240 HB3 GLU 571 HB1 GLU 571 61.514 2.895 -9.641 241 HG2 GLU 571 HG2 GLU 571 59.415 3.957 -9.024 242 HG3 GLU 571 HG1 GLU 571 60.271 5.246 -8.186 243 H HIS 572 HN HIS 572 59.641 3.823 -5.940 244 HA HIS 572 HA HIS 572 61.331 5.986 -4.781 245 HB2 HIS 572 HB2 HIS 572 58.327 5.552 -4.706 246 HB3 HIS 572 HB1 HIS 572 59.164 6.881 -3.905 247 HD2 HIS 572 HD2 HIS 572 61.285 7.016 -6.726 248 HE1 HIS 572 HE1 HIS 572 57.775 8.637 -8.410 249 HE2 HIS 572 HE2 HIS 572 60.283 8.364 -8.708 250 H PHE 573 HN PHE 573 60.192 2.879 -4.083 251 HA PHE 573 HA PHE 573 59.953 3.175 -1.195 252 HB2 PHE 573 HB2 PHE 573 58.856 1.314 -2.458 253 HB3 PHE 573 HB1 PHE 573 60.450 0.687 -2.861 254 HD1 PHE 573 HD1 PHE 573 58.844 2.024 0.268 255 HD2 PHE 573 HD2 PHE 573 61.020 -1.179 -1.590 256 HE1 PHE 573 HE1 PHE 573 58.920 0.821 2.433 257 HE2 PHE 573 HE2 PHE 573 61.097 -2.382 0.577 258 HZ PHE 573 HZ PHE 573 60.046 -1.382 2.587 259 H VAL 574 HN VAL 574 61.921 4.275 -0.698 260 HA VAL 574 HA VAL 574 64.409 2.690 -1.129 261 HB VAL 574 HB VAL 574 65.614 4.804 -0.717 262 HG11 VAL 574 HG11 VAL 574 65.347 5.438 -2.882 263 HG12 VAL 574 HG12 VAL 574 63.623 5.750 -2.674 264 HG13 VAL 574 HG13 VAL 574 64.193 4.108 -2.971 265 HG21 VAL 574 HG21 VAL 574 64.055 5.865 0.834 266 HG22 VAL 574 HG22 VAL 574 62.808 5.927 -0.411 267 HG23 VAL 574 HG23 VAL 574 64.262 6.913 -0.570 268 H CYS 575 HN CYS 575 66.057 3.077 0.708 269 HA CYS 575 HA CYS 575 64.865 2.126 3.186 270 HB2 CYS 575 HB2 CYS 575 67.010 1.248 2.574 271 HB3 CYS 575 HB1 CYS 575 67.684 2.860 2.367 272 H ALA 576 HN ALA 576 64.279 3.358 4.925 273 HA ALA 576 HA ALA 576 64.415 6.254 4.781 274 HB1 ALA 576 HB1 ALA 576 63.626 4.346 6.998 275 HB2 ALA 576 HB2 ALA 576 62.554 5.269 5.945 276 HB3 ALA 576 HB3 ALA 576 63.530 6.099 7.156 277 H PHE 577 HN PHE 577 67.017 5.129 4.595 278 HA PHE 577 HA PHE 577 68.312 6.448 6.914 279 HB2 PHE 577 HB2 PHE 577 68.119 3.822 7.125 280 HB3 PHE 577 HB1 PHE 577 69.428 3.828 5.947 281 HD1 PHE 577 HD1 PHE 577 71.640 4.070 6.677 282 HD2 PHE 577 HD2 PHE 577 68.429 5.389 9.211 283 HE1 PHE 577 HE1 PHE 577 73.265 4.560 8.484 284 HE2 PHE 577 HE2 PHE 577 70.056 5.878 11.016 285 HZ PHE 577 HZ PHE 577 72.474 5.464 10.653 286 H CYS 578 HN CYS 578 69.182 4.492 4.060 287 HA CYS 578 HA CYS 578 71.185 6.556 3.304 288 HB2 CYS 578 HB2 CYS 578 71.766 4.780 1.534 289 HB3 CYS 578 HB1 CYS 578 72.104 4.361 3.212 290 H LEU 579 HN LEU 579 68.049 5.404 2.500 291 HA LEU 579 HA LEU 579 66.524 5.980 0.829 292 HB2 LEU 579 HB2 LEU 579 68.272 8.458 0.707 293 HB3 LEU 579 HB1 LEU 579 66.646 8.317 0.039 294 HG LEU 579 HG LEU 579 66.277 7.445 2.626 295 HD11 LEU 579 HD11 LEU 579 67.451 8.884 4.125 296 HD12 LEU 579 HD12 LEU 579 68.090 9.860 2.801 297 HD13 LEU 579 HD13 LEU 579 68.677 8.216 3.049 298 HD21 LEU 579 HD21 LEU 579 66.056 10.261 1.513 299 HD22 LEU 579 HD22 LEU 579 65.258 9.695 2.981 300 HD23 LEU 579 HD23 LEU 579 64.824 9.003 1.418 301 H LYS 580 HN LYS 580 69.261 4.716 0.078 302 HA LYS 580 HA LYS 580 69.841 5.661 -2.596 303 HB2 LYS 580 HB2 LYS 580 71.157 3.584 -2.809 304 HB3 LYS 580 HB1 LYS 580 71.484 4.370 -1.265 305 HG2 LYS 580 HG2 LYS 580 69.614 2.840 -0.319 306 HG3 LYS 580 HG1 LYS 580 69.825 1.907 -1.800 307 HD2 LYS 580 HD2 LYS 580 72.431 2.391 -0.830 308 HD3 LYS 580 HD1 LYS 580 71.469 1.936 0.576 309 HE2 LYS 580 HE2 LYS 580 72.355 -0.091 -0.407 310 HE3 LYS 580 HE1 LYS 580 70.621 -0.042 -0.725 311 HZ1 LYS 580 HZ1 LYS 580 70.937 0.304 -2.922 312 HZ2 LYS 580 HZ2 LYS 580 72.405 -0.494 -2.615 313 HZ3 LYS 580 HZ3 LYS 580 72.359 1.202 -2.706 314 H GLN 581 HN GLN 581 68.138 2.769 -1.389 315 HA GLN 581 HA GLN 581 65.959 2.900 -3.182 316 HB2 GLN 581 HB2 GLN 581 68.290 2.090 -4.525 317 HB3 GLN 581 HB1 GLN 581 67.434 0.590 -4.184 318 HG2 GLN 581 HG2 GLN 581 65.566 2.611 -5.063 319 HG3 GLN 581 HG1 GLN 581 66.871 2.449 -6.237 320 HE21 GLN 581 HE21 GLN 581 64.167 0.784 -4.721 321 HE22 GLN 581 HE22 GLN 581 64.183 -0.569 -5.745 322 H LEU 582 HN LEU 582 64.675 0.814 -3.027 323 HA LEU 582 HA LEU 582 65.655 -1.167 -1.122 324 HB2 LEU 582 HB2 LEU 582 64.770 0.979 0.137 325 HB3 LEU 582 HB1 LEU 582 63.192 0.278 -0.208 326 HG LEU 582 HG LEU 582 64.050 -1.878 0.790 327 HD11 LEU 582 HD11 LEU 582 66.258 -2.011 1.193 328 HD12 LEU 582 HD12 LEU 582 66.028 -0.849 2.499 329 HD13 LEU 582 HD13 LEU 582 66.467 -0.286 0.889 330 HD21 LEU 582 HD21 LEU 582 64.136 -0.698 3.199 331 HD22 LEU 582 HD22 LEU 582 62.639 -0.825 2.276 332 HD23 LEU 582 HD23 LEU 582 63.566 0.674 2.250 333 H ASN 583 HN ASN 583 64.197 -2.959 -0.872 334 HA ASN 583 HA ASN 583 61.810 -2.998 -2.632 335 HB2 ASN 583 HB2 ASN 583 62.559 -5.179 -3.597 336 HB3 ASN 583 HB1 ASN 583 63.609 -3.840 -4.058 337 HD21 ASN 583 HD21 ASN 583 63.461 -6.854 -2.274 338 HD22 ASN 583 HD22 ASN 583 65.092 -6.880 -1.802 339 H LYS 584 HN LYS 584 60.171 -3.975 -1.554 340 HA LYS 584 HA LYS 584 60.312 -4.903 1.092 341 HB2 LYS 584 HB2 LYS 584 58.162 -4.397 0.215 342 HB3 LYS 584 HB1 LYS 584 58.381 -5.472 -1.161 343 HG2 LYS 584 HG2 LYS 584 56.875 -6.537 0.420 344 HG3 LYS 584 HG1 LYS 584 58.402 -7.416 0.420 345 HD2 LYS 584 HD2 LYS 584 57.570 -7.027 2.724 346 HD3 LYS 584 HD1 LYS 584 59.113 -6.222 2.445 347 HE2 LYS 584 HE2 LYS 584 58.202 -4.134 2.615 348 HE3 LYS 584 HE1 LYS 584 56.720 -4.607 1.788 349 HZ1 LYS 584 HZ1 LYS 584 56.812 -5.979 4.212 350 HZ2 LYS 584 HZ2 LYS 584 55.732 -4.754 3.744 351 HZ3 LYS 584 HZ3 LYS 584 57.176 -4.357 4.546 352 H GLY 585 HN GLY 585 60.988 -6.579 -1.892 353 HA2 GLY 585 HA2 GLY 585 60.780 -9.267 -1.194 354 HA3 GLY 585 HA1 GLY 585 62.014 -8.646 -2.280 355 H THR 586 HN THR 586 63.378 -7.013 -0.259 356 HA THR 586 HA THR 586 64.224 -9.009 1.767 357 HB THR 586 HB THR 586 66.623 -8.746 1.111 358 HG1 THR 586 HG1 THR 586 67.058 -7.815 -0.881 359 HG21 THR 586 HG21 THR 586 64.897 -9.775 -1.158 360 HG22 THR 586 HG22 THR 586 65.199 -10.669 0.332 361 HG23 THR 586 HG23 THR 586 66.535 -10.286 -0.753 362 H PHE 587 HN PHE 587 62.922 -6.404 2.019 363 HA PHE 587 HA PHE 587 65.118 -4.695 3.062 364 HB2 PHE 587 HB2 PHE 587 63.718 -2.900 2.835 365 HB3 PHE 587 HB1 PHE 587 62.884 -3.950 1.708 366 HD1 PHE 587 HD1 PHE 587 61.341 -5.799 3.181 367 HD2 PHE 587 HD2 PHE 587 62.255 -1.729 4.212 368 HE1 PHE 587 HE1 PHE 587 59.319 -5.705 4.612 369 HE2 PHE 587 HE2 PHE 587 60.231 -1.637 5.639 370 HZ PHE 587 HZ PHE 587 58.764 -3.624 5.841 371 H LYS 588 HN LYS 588 64.305 -3.504 5.160 372 HA LYS 588 HA LYS 588 63.045 -5.376 7.082 373 HB2 LYS 588 HB2 LYS 588 65.835 -4.231 7.245 374 HB3 LYS 588 HB1 LYS 588 64.939 -4.606 8.714 375 HG2 LYS 588 HG2 LYS 588 65.346 -6.620 6.487 376 HG3 LYS 588 HG1 LYS 588 66.459 -6.456 7.844 377 HD2 LYS 588 HD2 LYS 588 65.119 -7.805 9.045 378 HD3 LYS 588 HD1 LYS 588 63.885 -6.547 8.996 379 HE2 LYS 588 HE2 LYS 588 62.931 -7.460 6.979 380 HE3 LYS 588 HE1 LYS 588 64.268 -8.594 6.797 381 HZ1 LYS 588 HZ1 LYS 588 62.849 -8.700 9.327 382 HZ2 LYS 588 HZ2 LYS 588 63.442 -9.963 8.357 383 HZ3 LYS 588 HZ3 LYS 588 61.966 -9.213 7.972 384 H GLU 589 HN GLU 589 62.679 -4.020 9.228 385 HA GLU 589 HA GLU 589 62.497 -1.129 8.640 386 HB2 GLU 589 HB2 GLU 589 60.190 -0.938 8.812 387 HB3 GLU 589 HB1 GLU 589 60.337 -2.480 7.971 388 HG2 GLU 589 HG2 GLU 589 60.359 -3.516 10.361 389 HG3 GLU 589 HG1 GLU 589 59.689 -1.966 10.867 390 H GLN 590 HN GLN 590 62.246 0.167 10.478 391 HA GLN 590 HA GLN 590 62.155 -1.059 13.149 392 HB2 GLN 590 HB2 GLN 590 64.593 -1.085 12.348 393 HB3 GLN 590 HB1 GLN 590 64.517 0.674 12.376 394 HG2 GLN 590 HG2 GLN 590 65.400 0.058 14.494 395 HG3 GLN 590 HG1 GLN 590 63.712 0.460 14.798 396 HE21 GLN 590 HE21 GLN 590 64.959 -2.550 13.311 397 HE22 GLN 590 HE22 GLN 590 64.383 -3.579 14.531 398 H ASN 591 HN ASN 591 61.602 0.551 14.735 399 HA ASN 591 HA ASN 591 60.512 2.507 15.429 400 HB2 ASN 591 HB2 ASN 591 62.582 3.553 13.494 401 HB3 ASN 591 HB1 ASN 591 61.514 4.633 14.384 402 HD21 ASN 591 HD21 ASN 591 64.517 3.157 14.555 403 HD22 ASN 591 HD22 ASN 591 64.742 3.200 16.236 404 H ASP 592 HN ASP 592 59.574 1.036 12.865 405 HA ASP 592 HA ASP 592 57.613 1.296 11.577 406 HB2 ASP 592 HB2 ASP 592 57.135 3.107 13.481 407 HB3 ASP 592 HB1 ASP 592 57.422 4.222 12.143 408 H LYS 593 HN LYS 593 60.389 1.827 10.632 409 HA LYS 593 HA LYS 593 59.602 3.263 8.162 410 HB2 LYS 593 HB2 LYS 593 62.252 4.089 8.569 411 HB3 LYS 593 HB1 LYS 593 60.808 5.090 8.681 412 HG2 LYS 593 HG2 LYS 593 60.635 4.223 11.117 413 HG3 LYS 593 HG1 LYS 593 62.308 3.716 10.902 414 HD2 LYS 593 HD2 LYS 593 62.700 5.842 11.680 415 HD3 LYS 593 HD1 LYS 593 62.533 6.217 9.965 416 HE2 LYS 593 HE2 LYS 593 61.113 7.767 11.092 417 HE3 LYS 593 HE1 LYS 593 60.033 6.539 10.430 418 HZ1 LYS 593 HZ1 LYS 593 61.105 6.483 13.196 419 HZ2 LYS 593 HZ2 LYS 593 59.908 5.471 12.539 420 HZ3 LYS 593 HZ3 LYS 593 59.589 7.122 12.784 421 HA PRO 594 HA PRO 594 61.718 -0.106 6.270 422 HB2 PRO 594 HB2 PRO 594 62.579 1.128 3.969 423 HB3 PRO 594 HB1 PRO 594 60.920 0.594 4.258 424 HG2 PRO 594 HG2 PRO 594 62.068 3.339 4.375 425 HG3 PRO 594 HG1 PRO 594 60.459 2.815 3.873 426 HD2 PRO 594 HD2 PRO 594 61.017 3.974 6.331 427 HD3 PRO 594 HD1 PRO 594 59.625 2.905 6.027 428 H TYR 595 HN TYR 595 63.747 -0.944 5.754 429 HA TYR 595 HA TYR 595 66.167 0.693 5.743 430 HB2 TYR 595 HB2 TYR 595 65.534 -1.163 8.067 431 HB3 TYR 595 HB1 TYR 595 67.152 -0.568 7.711 432 HD1 TYR 595 HD1 TYR 595 67.315 2.066 7.374 433 HD2 TYR 595 HD2 TYR 595 64.209 0.054 9.546 434 HE1 TYR 595 HE1 TYR 595 66.810 4.164 8.598 435 HE2 TYR 595 HE2 TYR 595 63.708 2.150 10.767 436 HH TYR 595 HH TYR 595 65.103 5.195 9.844 437 H CYS 596 HN CYS 596 67.492 -0.389 4.288 438 HA CYS 596 HA CYS 596 66.816 -2.866 3.120 439 HB2 CYS 596 HB2 CYS 596 69.726 -2.308 3.364 440 HB3 CYS 596 HB1 CYS 596 68.772 -2.679 1.931 441 H GLN 597 HN GLN 597 67.403 -5.004 3.595 442 HA GLN 597 HA GLN 597 67.625 -5.802 6.271 443 HB2 GLN 597 HB2 GLN 597 67.178 -7.666 5.032 444 HB3 GLN 597 HB1 GLN 597 68.032 -7.030 3.631 445 HG2 GLN 597 HG2 GLN 597 69.159 -9.044 4.449 446 HG3 GLN 597 HG1 GLN 597 70.194 -7.641 4.685 447 HE21 GLN 597 HE21 GLN 597 67.536 -7.726 6.887 448 HE22 GLN 597 HE22 GLN 597 68.381 -8.333 8.227 449 H ASN 598 HN ASN 598 70.150 -4.979 3.951 450 HA ASN 598 HA ASN 598 72.387 -5.675 5.628 451 HB2 ASN 598 HB2 ASN 598 72.656 -5.325 3.207 452 HB3 ASN 598 HB1 ASN 598 72.164 -3.641 3.382 453 HD21 ASN 598 HD21 ASN 598 74.711 -5.956 4.410 454 HD22 ASN 598 HD22 ASN 598 75.907 -4.775 4.640 455 H CYS 599 HN CYS 599 70.443 -2.753 5.164 456 HA CYS 599 HA CYS 599 72.006 -1.068 6.925 457 HB2 CYS 599 HB2 CYS 599 69.290 -0.932 5.669 458 HB3 CYS 599 HB1 CYS 599 69.588 0.088 7.071 459 H PHE 600 HN PHE 600 68.809 -2.639 7.388 460 HA PHE 600 HA PHE 600 68.514 -2.256 10.156 461 HB2 PHE 600 HB2 PHE 600 66.733 -3.277 8.903 462 HB3 PHE 600 HB1 PHE 600 67.774 -4.587 8.362 463 HD1 PHE 600 HD1 PHE 600 68.527 -6.342 9.969 464 HD2 PHE 600 HD2 PHE 600 65.662 -3.331 11.061 465 HE1 PHE 600 HE1 PHE 600 67.842 -7.702 11.925 466 HE2 PHE 600 HE2 PHE 600 64.980 -4.694 13.017 467 HZ PHE 600 HZ PHE 600 66.068 -6.878 13.449 468 H LEU 601 HN LEU 601 70.253 -4.807 8.425 469 HA LEU 601 HA LEU 601 71.216 -6.267 10.677 470 HB2 LEU 601 HB2 LEU 601 71.334 -7.123 8.387 471 HB3 LEU 601 HB1 LEU 601 72.400 -5.804 7.921 472 HG LEU 601 HG LEU 601 73.986 -6.683 9.761 473 HD11 LEU 601 HD11 LEU 601 73.708 -9.110 10.228 474 HD12 LEU 601 HD12 LEU 601 72.160 -9.077 9.383 475 HD13 LEU 601 HD13 LEU 601 72.370 -8.158 10.873 476 HD21 LEU 601 HD21 LEU 601 73.344 -8.045 7.151 477 HD22 LEU 601 HD22 LEU 601 74.683 -8.612 8.151 478 HD23 LEU 601 HD23 LEU 601 74.682 -6.961 7.530 479 H LYS 602 HN LYS 602 72.127 -3.262 9.215 480 HA LYS 602 HA LYS 602 74.679 -3.035 10.672 481 HB2 LYS 602 HB2 LYS 602 73.756 -2.032 8.276 482 HB3 LYS 602 HB1 LYS 602 73.578 -0.646 9.343 483 HG2 LYS 602 HG2 LYS 602 75.774 -0.461 8.495 484 HG3 LYS 602 HG1 LYS 602 75.978 -1.137 10.110 485 HD2 LYS 602 HD2 LYS 602 77.367 -2.474 8.718 486 HD3 LYS 602 HD1 LYS 602 75.918 -3.446 8.972 487 HE2 LYS 602 HE2 LYS 602 75.122 -3.065 6.807 488 HE3 LYS 602 HE1 LYS 602 76.066 -1.589 6.611 489 HZ1 LYS 602 HZ1 LYS 602 77.104 -3.265 5.329 490 HZ2 LYS 602 HZ2 LYS 602 77.059 -4.383 6.608 491 HZ3 LYS 602 HZ3 LYS 602 78.084 -3.030 6.694 492 H LEU 603 HN LEU 603 71.409 -1.651 10.735 493 HA LEU 603 HA LEU 603 72.083 0.162 12.940 494 HB2 LEU 603 HB2 LEU 603 69.264 -0.452 12.104 495 HB3 LEU 603 HB1 LEU 603 69.945 1.063 12.674 496 HG LEU 603 HG LEU 603 70.371 -0.212 9.968 497 HD11 LEU 603 HD11 LEU 603 69.128 2.420 10.802 498 HD12 LEU 603 HD12 LEU 603 68.235 0.990 10.284 499 HD13 LEU 603 HD13 LEU 603 69.289 1.833 9.147 500 HD21 LEU 603 HD21 LEU 603 71.660 2.229 11.221 501 HD22 LEU 603 HD22 LEU 603 71.697 1.881 9.491 502 HD23 LEU 603 HD23 LEU 603 72.479 0.783 10.627 503 H PHE 604 HN PHE 604 69.768 -2.526 12.536 504 HA PHE 604 HA PHE 604 69.276 -2.760 15.370 505 HB2 PHE 604 HB2 PHE 604 67.823 -3.541 13.347 506 HB3 PHE 604 HB1 PHE 604 68.814 -4.998 13.413 507 HD1 PHE 604 HD1 PHE 604 66.667 -2.774 15.517 508 HD2 PHE 604 HD2 PHE 604 68.367 -6.686 15.005 509 HE1 PHE 604 HE1 PHE 604 65.304 -3.614 17.410 510 HE2 PHE 604 HE2 PHE 604 67.004 -7.525 16.898 511 HZ PHE 604 HZ PHE 604 65.473 -5.990 18.101 512 H CYS 605 HN CYS 605 71.742 -3.972 13.264 513 HA CYS 605 HA CYS 605 72.904 -5.455 15.565 514 HB2 CYS 605 HB2 CYS 605 71.557 -6.956 13.880 515 HB3 CYS 605 HB1 CYS 605 72.969 -6.741 12.847 516 HG CYS 605 HG CYS 605 74.364 -7.642 15.046 Start of MODEL 2 1 H TYR 541 HT1 TYR 541 34.149 3.736 -14.206 2 HA TYR 541 HA TYR 541 34.709 2.923 -16.476 3 HB2 TYR 541 HB2 TYR 541 37.158 4.640 -15.953 4 HB3 TYR 541 HB1 TYR 541 36.989 3.489 -17.280 5 HD1 TYR 541 HD1 TYR 541 35.998 6.767 -15.976 6 HD2 TYR 541 HD2 TYR 541 35.352 3.883 -19.096 7 HE1 TYR 541 HE1 TYR 541 34.836 8.489 -17.329 8 HE2 TYR 541 HE2 TYR 541 34.190 5.607 -20.447 9 HH TYR 541 HH TYR 541 34.436 8.515 -20.319 10 H HIS 542 HN HIS 542 36.702 3.556 -13.605 11 HA HIS 542 HA HIS 542 36.884 0.673 -13.101 12 HB2 HIS 542 HB2 HIS 542 38.815 1.417 -14.709 13 HB3 HIS 542 HB1 HIS 542 39.509 2.139 -13.259 14 HD1 HIS 542 HD1 HIS 542 40.935 0.596 -11.922 15 HD2 HIS 542 HD2 HIS 542 38.113 -1.495 -14.168 16 HE1 HIS 542 HE1 HIS 542 41.370 -1.865 -11.508 17 H GLU 543 HN GLU 543 38.801 0.636 -11.160 18 HA GLU 543 HA GLU 543 37.996 2.781 -9.236 19 HB2 GLU 543 HB2 GLU 543 38.319 -0.169 -8.598 20 HB3 GLU 543 HB1 GLU 543 37.868 1.100 -7.460 21 HG2 GLU 543 HG2 GLU 543 35.734 0.510 -7.982 22 HG3 GLU 543 HG1 GLU 543 36.003 1.468 -9.437 23 H ARG 544 HN ARG 544 40.282 0.061 -9.653 24 HA ARG 544 HA ARG 544 42.458 1.891 -8.723 25 HB2 ARG 544 HB2 ARG 544 41.795 0.240 -6.952 26 HB3 ARG 544 HB1 ARG 544 42.225 -1.060 -8.059 27 HG2 ARG 544 HG2 ARG 544 44.255 -0.876 -7.009 28 HG3 ARG 544 HG1 ARG 544 44.495 0.396 -8.206 29 HD2 ARG 544 HD2 ARG 544 44.083 2.106 -6.667 30 HD3 ARG 544 HD1 ARG 544 43.172 1.049 -5.589 31 HE ARG 544 HE ARG 544 45.741 -0.010 -5.565 32 HH11 ARG 544 HH11 ARG 544 47.311 0.624 -4.079 33 HH12 ARG 544 HH12 ARG 544 47.200 2.183 -3.331 34 HH21 ARG 544 HH21 ARG 544 44.293 3.072 -4.990 35 HH22 ARG 544 HH22 ARG 544 45.495 3.566 -3.846 36 H ARG 545 HN ARG 545 43.066 2.246 -10.923 37 HA ARG 545 HA ARG 545 43.615 0.026 -12.722 38 HB2 ARG 545 HB2 ARG 545 44.624 2.875 -12.940 39 HB3 ARG 545 HB1 ARG 545 44.434 1.704 -14.246 40 HG2 ARG 545 HG2 ARG 545 41.932 1.650 -13.533 41 HG3 ARG 545 HG1 ARG 545 42.298 3.162 -12.701 42 HD2 ARG 545 HD2 ARG 545 42.639 4.323 -14.663 43 HD3 ARG 545 HD1 ARG 545 43.211 2.897 -15.531 44 HE ARG 545 HE ARG 545 40.535 2.355 -15.059 45 HH11 ARG 545 HH11 ARG 545 38.900 2.922 -16.500 46 HH12 ARG 545 HH12 ARG 545 39.145 4.240 -17.596 47 HH21 ARG 545 HH21 ARG 545 42.344 4.936 -16.469 48 HH22 ARG 545 HH22 ARG 545 41.091 5.378 -17.578 49 H GLY 546 HN GLY 546 45.253 1.304 -10.061 50 HA2 GLY 546 HA2 GLY 546 47.515 -0.409 -10.386 51 HA3 GLY 546 HA1 GLY 546 47.969 1.231 -10.848 52 H SER 547 HN SER 547 49.017 -0.186 -8.587 53 HA SER 547 HA SER 547 47.711 0.797 -6.166 54 HB2 SER 547 HB2 SER 547 49.834 -1.026 -6.857 55 HB3 SER 547 HB1 SER 547 50.391 0.083 -5.608 56 HG SER 547 HG SER 547 49.127 -1.954 -5.041 57 H LEU 548 HN LEU 548 48.031 2.799 -5.272 58 HA LEU 548 HA LEU 548 49.775 4.712 -6.559 59 HB2 LEU 548 HB2 LEU 548 48.011 4.744 -4.133 60 HB3 LEU 548 HB1 LEU 548 49.194 6.028 -4.345 61 HG LEU 548 HG LEU 548 48.266 6.605 -6.516 62 HD11 LEU 548 HD11 LEU 548 46.581 4.146 -6.055 63 HD12 LEU 548 HD12 LEU 548 47.596 4.535 -7.443 64 HD13 LEU 548 HD13 LEU 548 46.086 5.407 -7.183 65 HD21 LEU 548 HD21 LEU 548 46.026 6.219 -4.505 66 HD22 LEU 548 HD22 LEU 548 46.064 7.401 -5.814 67 HD23 LEU 548 HD23 LEU 548 47.192 7.542 -4.465 68 H CYS 549 HN CYS 549 51.805 5.377 -5.962 69 HA CYS 549 HA CYS 549 53.291 3.694 -4.078 70 HB2 CYS 549 HB2 CYS 549 54.728 4.241 -5.787 71 HB3 CYS 549 HB1 CYS 549 53.932 5.777 -6.107 72 H SER 550 HN SER 550 53.008 4.147 -1.939 73 HA SER 550 HA SER 550 51.953 6.517 -0.872 74 HB2 SER 550 HB2 SER 550 54.021 4.727 0.438 75 HB3 SER 550 HB1 SER 550 52.966 5.861 1.272 76 HG SER 550 HG SER 550 52.378 3.426 0.007 77 H GLY 551 HN GLY 551 52.716 8.482 -1.227 78 HA2 GLY 551 HA2 GLY 551 54.605 10.063 -0.547 79 HA3 GLY 551 HA1 GLY 551 55.674 8.918 -1.373 80 H CYS 552 HN CYS 552 53.754 8.289 -3.451 81 HA CYS 552 HA CYS 552 53.999 10.772 -5.098 82 HB2 CYS 552 HB2 CYS 552 54.032 7.833 -5.700 83 HB3 CYS 552 HB1 CYS 552 53.466 8.948 -6.942 84 H GLN 553 HN GLN 553 51.784 8.356 -3.855 85 HA GLN 553 HA GLN 553 49.455 8.204 -3.909 86 HB2 GLN 553 HB2 GLN 553 49.934 11.164 -4.263 87 HB3 GLN 553 HB1 GLN 553 48.298 10.508 -4.305 88 HG2 GLN 553 HG2 GLN 553 49.122 11.290 -2.017 89 HG3 GLN 553 HG1 GLN 553 48.478 9.655 -2.082 90 HE21 GLN 553 HE21 GLN 553 51.340 11.542 -1.481 91 HE22 GLN 553 HE22 GLN 553 52.369 10.246 -1.113 92 H LYS 554 HN LYS 554 51.060 7.765 -6.304 93 HA LYS 554 HA LYS 554 48.911 8.093 -8.343 94 HB2 LYS 554 HB2 LYS 554 51.888 8.572 -8.722 95 HB3 LYS 554 HB1 LYS 554 50.746 8.407 -10.055 96 HG2 LYS 554 HG2 LYS 554 50.497 10.475 -7.851 97 HG3 LYS 554 HG1 LYS 554 51.209 10.794 -9.432 98 HD2 LYS 554 HD2 LYS 554 48.978 9.856 -10.382 99 HD3 LYS 554 HD1 LYS 554 48.348 10.126 -8.757 100 HE2 LYS 554 HE2 LYS 554 49.688 12.243 -10.468 101 HE3 LYS 554 HE1 LYS 554 47.946 12.076 -10.248 102 HZ1 LYS 554 HZ1 LYS 554 48.166 13.330 -8.449 103 HZ2 LYS 554 HZ2 LYS 554 49.862 13.287 -8.536 104 HZ3 LYS 554 HZ3 LYS 554 49.019 12.062 -7.714 105 HA PRO 555 HA PRO 555 49.187 3.707 -8.660 106 HB2 PRO 555 HB2 PRO 555 49.297 4.020 -11.585 107 HB3 PRO 555 HB1 PRO 555 48.114 3.178 -10.577 108 HG2 PRO 555 HG2 PRO 555 47.716 5.639 -11.821 109 HG3 PRO 555 HG1 PRO 555 46.744 4.996 -10.495 110 HD2 PRO 555 HD2 PRO 555 48.586 7.252 -10.456 111 HD3 PRO 555 HD1 PRO 555 47.502 6.685 -9.160 112 H ILE 556 HN ILE 556 50.641 2.050 -9.147 113 HA ILE 556 HA ILE 556 53.370 2.968 -9.919 114 HB ILE 556 HB ILE 556 52.372 0.638 -8.256 115 HG12 ILE 556 HG12 ILE 556 54.300 2.797 -7.408 116 HG13 ILE 556 HG11 ILE 556 52.567 3.109 -7.391 117 HG21 ILE 556 HG21 ILE 556 54.886 0.296 -7.863 118 HG22 ILE 556 HG22 ILE 556 55.142 1.313 -9.280 119 HG23 ILE 556 HG23 ILE 556 54.269 -0.211 -9.436 120 HD11 ILE 556 HD11 ILE 556 52.712 0.647 -6.164 121 HD12 ILE 556 HD12 ILE 556 52.620 2.190 -5.316 122 HD13 ILE 556 HD13 ILE 556 54.186 1.431 -5.595 123 H THR 557 HN THR 557 53.248 2.718 -12.168 124 HA THR 557 HA THR 557 52.145 0.294 -13.366 125 HB THR 557 HB THR 557 53.071 1.305 -15.491 126 HG1 THR 557 HG1 THR 557 54.766 2.437 -14.316 127 HG21 THR 557 HG21 THR 557 51.231 2.799 -13.630 128 HG22 THR 557 HG22 THR 557 50.828 1.860 -15.068 129 HG23 THR 557 HG23 THR 557 51.595 3.439 -15.234 130 H GLY 558 HN GLY 558 53.295 -1.526 -12.908 131 HA2 GLY 558 HA2 GLY 558 55.230 -2.805 -13.963 132 HA3 GLY 558 HA1 GLY 558 56.250 -1.490 -13.369 133 H ARG 559 HN ARG 559 57.448 -2.876 -11.946 134 HA ARG 559 HA ARG 559 56.226 -4.638 -10.043 135 HB2 ARG 559 HB2 ARG 559 58.909 -3.310 -10.300 136 HB3 ARG 559 HB1 ARG 559 58.489 -4.088 -8.776 137 HG2 ARG 559 HG2 ARG 559 57.915 -5.653 -11.231 138 HG3 ARG 559 HG1 ARG 559 59.617 -5.414 -10.854 139 HD2 ARG 559 HD2 ARG 559 59.448 -6.503 -8.784 140 HD3 ARG 559 HD1 ARG 559 57.703 -6.297 -8.696 141 HE ARG 559 HE ARG 559 59.070 -8.560 -9.772 142 HH11 ARG 559 HH11 ARG 559 58.163 -9.969 -11.254 143 HH12 ARG 559 HH12 ARG 559 56.741 -9.502 -12.125 144 HH21 ARG 559 HH21 ARG 559 56.503 -6.401 -10.612 145 HH22 ARG 559 HH22 ARG 559 55.808 -7.488 -11.765 146 H CYS 560 HN CYS 560 56.180 -4.212 -7.640 147 HA CYS 560 HA CYS 560 56.045 -1.386 -6.840 148 HB2 CYS 560 HB2 CYS 560 53.716 -1.412 -6.198 149 HB3 CYS 560 HB1 CYS 560 53.814 -1.887 -7.892 150 HG CYS 560 HG CYS 560 53.896 -4.375 -6.233 151 H ILE 561 HN ILE 561 56.469 -1.159 -4.704 152 HA ILE 561 HA ILE 561 56.988 -3.628 -3.158 153 HB ILE 561 HB ILE 561 57.448 -0.839 -2.123 154 HG12 ILE 561 HG12 ILE 561 58.336 -0.900 -4.455 155 HG13 ILE 561 HG11 ILE 561 59.621 -0.778 -3.260 156 HG21 ILE 561 HG21 ILE 561 59.590 -2.266 -1.397 157 HG22 ILE 561 HG22 ILE 561 58.466 -3.601 -1.637 158 HG23 ILE 561 HG23 ILE 561 58.082 -2.324 -0.483 159 HD11 ILE 561 HD11 ILE 561 59.986 -3.222 -3.405 160 HD12 ILE 561 HD12 ILE 561 60.195 -2.445 -4.974 161 HD13 ILE 561 HD13 ILE 561 58.713 -3.332 -4.621 162 H THR 562 HN THR 562 56.051 -3.970 -1.073 163 HA THR 562 HA THR 562 53.657 -2.288 -0.457 164 HB THR 562 HB THR 562 53.834 -5.314 -0.291 165 HG1 THR 562 HG1 THR 562 53.551 -4.345 -2.401 166 HG21 THR 562 HG21 THR 562 51.289 -4.921 0.130 167 HG22 THR 562 HG22 THR 562 51.786 -3.293 0.591 168 HG23 THR 562 HG23 THR 562 52.414 -4.688 1.468 169 H ALA 563 HN ALA 563 54.348 -1.258 1.358 170 HA ALA 563 HA ALA 563 55.981 -2.708 3.348 171 HB1 ALA 563 HB1 ALA 563 54.971 0.145 3.452 172 HB2 ALA 563 HB2 ALA 563 56.471 -0.327 2.655 173 HB3 ALA 563 HB3 ALA 563 56.288 -0.554 4.395 174 H MET 564 HN MET 564 54.444 -0.624 5.230 175 HA MET 564 HA MET 564 52.752 -2.631 6.459 176 HB2 MET 564 HB2 MET 564 52.921 0.362 6.915 177 HB3 MET 564 HB1 MET 564 52.099 -0.781 7.974 178 HG2 MET 564 HG2 MET 564 54.169 -1.888 8.517 179 HG3 MET 564 HG1 MET 564 55.040 -0.988 7.277 180 HE1 MET 564 HE1 MET 564 55.425 2.487 8.443 181 HE2 MET 564 HE2 MET 564 55.059 1.420 7.090 182 HE3 MET 564 HE3 MET 564 56.524 1.162 8.035 183 H ALA 565 HN ALA 565 51.768 -2.767 4.103 184 HA ALA 565 HA ALA 565 49.702 -2.707 2.966 185 HB1 ALA 565 HB1 ALA 565 47.803 -1.923 4.026 186 HB2 ALA 565 HB2 ALA 565 48.621 -0.502 4.674 187 HB3 ALA 565 HB3 ALA 565 48.854 -2.077 5.432 188 H LYS 566 HN LYS 566 51.813 -0.164 3.612 189 HA LYS 566 HA LYS 566 50.616 1.715 1.669 190 HB2 LYS 566 HB2 LYS 566 52.778 1.788 3.700 191 HB3 LYS 566 HB1 LYS 566 53.071 2.747 2.251 192 HG2 LYS 566 HG2 LYS 566 50.858 3.840 2.550 193 HG3 LYS 566 HG1 LYS 566 50.621 2.917 4.034 194 HD2 LYS 566 HD2 LYS 566 53.081 4.620 3.655 195 HD3 LYS 566 HD1 LYS 566 51.573 5.326 4.235 196 HE2 LYS 566 HE2 LYS 566 51.681 4.248 6.257 197 HE3 LYS 566 HE1 LYS 566 52.445 2.815 5.569 198 HZ1 LYS 566 HZ1 LYS 566 54.494 4.142 5.317 199 HZ2 LYS 566 HZ2 LYS 566 54.019 3.952 6.937 200 HZ3 LYS 566 HZ3 LYS 566 53.743 5.424 6.134 201 H LYS 567 HN LYS 567 51.285 1.836 -0.446 202 HA LYS 567 HA LYS 567 53.332 -0.112 -1.323 203 HB2 LYS 567 HB2 LYS 567 51.179 1.467 -2.707 204 HB3 LYS 567 HB1 LYS 567 52.498 0.760 -3.639 205 HG2 LYS 567 HG2 LYS 567 50.517 -0.752 -3.476 206 HG3 LYS 567 HG1 LYS 567 51.976 -1.458 -2.780 207 HD2 LYS 567 HD2 LYS 567 51.240 -1.121 -0.568 208 HD3 LYS 567 HD1 LYS 567 50.057 0.097 -1.052 209 HE2 LYS 567 HE2 LYS 567 48.536 -1.484 -1.828 210 HE3 LYS 567 HE1 LYS 567 49.785 -2.694 -2.112 211 HZ1 LYS 567 HZ1 LYS 567 48.236 -2.937 -0.085 212 HZ2 LYS 567 HZ2 LYS 567 49.231 -1.756 0.624 213 HZ3 LYS 567 HZ3 LYS 567 49.894 -3.234 0.111 214 H PHE 568 HN PHE 568 54.799 0.701 -3.139 215 HA PHE 568 HA PHE 568 55.528 3.558 -3.036 216 HB2 PHE 568 HB2 PHE 568 57.303 1.371 -1.904 217 HB3 PHE 568 HB1 PHE 568 57.921 2.943 -2.395 218 HD1 PHE 568 HD1 PHE 568 55.948 1.101 0.088 219 HD2 PHE 568 HD2 PHE 568 57.295 4.987 -1.154 220 HE1 PHE 568 HE1 PHE 568 55.331 2.023 2.305 221 HE2 PHE 568 HE2 PHE 568 56.673 5.909 1.063 222 HZ PHE 568 HZ PHE 568 55.692 4.427 2.792 223 H HIS 569 HN HIS 569 56.569 4.109 -4.974 224 HA HIS 569 HA HIS 569 56.667 2.236 -7.130 225 HB2 HIS 569 HB2 HIS 569 58.008 4.900 -6.639 226 HB3 HIS 569 HB1 HIS 569 58.428 3.946 -8.057 227 HD2 HIS 569 HD2 HIS 569 55.887 3.236 -9.597 228 HE1 HIS 569 HE1 HIS 569 54.128 6.906 -8.468 229 HE2 HIS 569 HE2 HIS 569 53.973 4.936 -10.073 230 HA PRO 570 HA PRO 570 60.099 -0.277 -5.804 231 HB2 PRO 570 HB2 PRO 570 60.870 -0.348 -8.660 232 HB3 PRO 570 HB1 PRO 570 60.461 -1.676 -7.568 233 HG2 PRO 570 HG2 PRO 570 58.794 -0.764 -9.559 234 HG3 PRO 570 HG1 PRO 570 58.247 -1.614 -8.114 235 HD2 PRO 570 HD2 PRO 570 57.904 1.222 -8.830 236 HD3 PRO 570 HD1 PRO 570 57.053 0.261 -7.595 237 H GLU 571 HN GLU 571 60.368 2.720 -7.375 238 HA GLU 571 HA GLU 571 63.319 2.828 -6.935 239 HB2 GLU 571 HB2 GLU 571 63.379 4.606 -8.564 240 HB3 GLU 571 HB1 GLU 571 62.452 3.277 -9.261 241 HG2 GLU 571 HG2 GLU 571 60.453 4.617 -8.025 242 HG3 GLU 571 HG1 GLU 571 61.539 5.956 -8.376 243 H HIS 572 HN HIS 572 60.279 3.942 -5.783 244 HA HIS 572 HA HIS 572 61.532 6.295 -4.445 245 HB2 HIS 572 HB2 HIS 572 58.619 5.482 -4.730 246 HB3 HIS 572 HB1 HIS 572 59.177 6.896 -3.834 247 HD2 HIS 572 HD2 HIS 572 61.592 7.368 -6.347 248 HE1 HIS 572 HE1 HIS 572 58.150 8.503 -8.501 249 HE2 HIS 572 HE2 HIS 572 60.687 8.591 -8.452 250 H PHE 573 HN PHE 573 60.658 3.060 -3.883 251 HA PHE 573 HA PHE 573 60.134 3.319 -1.022 252 HB2 PHE 573 HB2 PHE 573 59.299 1.387 -2.392 253 HB3 PHE 573 HB1 PHE 573 60.968 0.879 -2.623 254 HD1 PHE 573 HD1 PHE 573 58.861 2.036 0.273 255 HD2 PHE 573 HD2 PHE 573 61.634 -0.870 -1.245 256 HE1 PHE 573 HE1 PHE 573 58.805 0.848 2.448 257 HE2 PHE 573 HE2 PHE 573 61.580 -2.058 0.930 258 HZ PHE 573 HZ PHE 573 60.164 -1.200 2.776 259 H VAL 574 HN VAL 574 61.966 4.560 -0.363 260 HA VAL 574 HA VAL 574 64.604 3.198 -0.630 261 HB VAL 574 HB VAL 574 65.585 5.381 -0.042 262 HG11 VAL 574 HG11 VAL 574 63.591 6.143 -2.116 263 HG12 VAL 574 HG12 VAL 574 64.523 4.678 -2.427 264 HG13 VAL 574 HG13 VAL 574 65.353 6.212 -2.168 265 HG21 VAL 574 HG21 VAL 574 64.049 7.361 0.096 266 HG22 VAL 574 HG22 VAL 574 63.838 6.233 1.435 267 HG23 VAL 574 HG23 VAL 574 62.678 6.251 0.105 268 H CYS 575 HN CYS 575 66.073 3.634 1.337 269 HA CYS 575 HA CYS 575 64.784 2.479 3.682 270 HB2 CYS 575 HB2 CYS 575 67.017 1.768 3.191 271 HB3 CYS 575 HB1 CYS 575 67.594 3.427 3.085 272 H ALA 576 HN ALA 576 64.035 3.579 5.447 273 HA ALA 576 HA ALA 576 63.967 6.483 5.427 274 HB1 ALA 576 HB1 ALA 576 62.943 6.174 7.719 275 HB2 ALA 576 HB2 ALA 576 63.198 4.440 7.530 276 HB3 ALA 576 HB3 ALA 576 62.119 5.297 6.431 277 H PHE 577 HN PHE 577 66.645 5.559 5.345 278 HA PHE 577 HA PHE 577 67.712 6.841 7.798 279 HB2 PHE 577 HB2 PHE 577 67.697 4.203 7.882 280 HB3 PHE 577 HB1 PHE 577 69.058 4.352 6.775 281 HD1 PHE 577 HD1 PHE 577 71.196 4.566 7.678 282 HD2 PHE 577 HD2 PHE 577 67.808 5.827 10.001 283 HE1 PHE 577 HE1 PHE 577 72.694 5.076 9.587 284 HE2 PHE 577 HE2 PHE 577 69.307 6.336 11.909 285 HZ PHE 577 HZ PHE 577 71.749 5.961 11.702 286 H CYS 578 HN CYS 578 68.858 5.106 4.899 287 HA CYS 578 HA CYS 578 70.746 7.343 4.361 288 HB2 CYS 578 HB2 CYS 578 71.542 5.675 2.545 289 HB3 CYS 578 HB1 CYS 578 71.869 5.263 4.227 290 H LEU 579 HN LEU 579 67.766 5.988 3.317 291 HA LEU 579 HA LEU 579 66.308 6.511 1.568 292 HB2 LEU 579 HB2 LEU 579 67.853 9.122 1.646 293 HB3 LEU 579 HB1 LEU 579 66.283 8.880 0.882 294 HG LEU 579 HG LEU 579 65.840 7.879 3.408 295 HD11 LEU 579 HD11 LEU 579 68.127 8.768 4.040 296 HD12 LEU 579 HD12 LEU 579 66.798 9.386 5.018 297 HD13 LEU 579 HD13 LEU 579 67.499 10.390 3.749 298 HD21 LEU 579 HD21 LEU 579 64.347 9.381 2.174 299 HD22 LEU 579 HD22 LEU 579 65.472 10.720 2.400 300 HD23 LEU 579 HD23 LEU 579 64.635 10.027 3.790 301 H LYS 580 HN LYS 580 69.144 5.461 0.950 302 HA LYS 580 HA LYS 580 69.824 6.574 -1.643 303 HB2 LYS 580 HB2 LYS 580 71.346 4.640 -1.824 304 HB3 LYS 580 HB1 LYS 580 71.493 5.402 -0.241 305 HG2 LYS 580 HG2 LYS 580 69.710 3.664 0.520 306 HG3 LYS 580 HG1 LYS 580 70.139 2.804 -0.958 307 HD2 LYS 580 HD2 LYS 580 72.583 3.552 0.274 308 HD3 LYS 580 HD1 LYS 580 71.555 2.893 1.547 309 HE2 LYS 580 HE2 LYS 580 72.776 1.055 0.555 310 HE3 LYS 580 HE1 LYS 580 71.090 0.921 0.056 311 HZ1 LYS 580 HZ1 LYS 580 71.646 1.198 -2.062 312 HZ2 LYS 580 HZ2 LYS 580 73.267 0.994 -1.595 313 HZ3 LYS 580 HZ3 LYS 580 72.607 2.555 -1.725 314 H GLN 581 HN GLN 581 68.326 3.493 -0.642 315 HA GLN 581 HA GLN 581 66.291 3.491 -2.616 316 HB2 GLN 581 HB2 GLN 581 68.777 2.921 -3.764 317 HB3 GLN 581 HB1 GLN 581 68.068 1.334 -3.488 318 HG2 GLN 581 HG2 GLN 581 66.060 3.132 -4.523 319 HG3 GLN 581 HG1 GLN 581 67.468 3.137 -5.583 320 HE21 GLN 581 HE21 GLN 581 64.871 1.137 -4.293 321 HE22 GLN 581 HE22 GLN 581 65.136 -0.190 -5.316 322 H LEU 582 HN LEU 582 65.124 1.358 -2.556 323 HA LEU 582 HA LEU 582 66.092 -0.618 -0.632 324 HB2 LEU 582 HB2 LEU 582 64.966 1.461 0.579 325 HB3 LEU 582 HB1 LEU 582 63.481 0.619 0.146 326 HG LEU 582 HG LEU 582 64.492 -1.458 1.177 327 HD11 LEU 582 HD11 LEU 582 66.244 -0.326 3.020 328 HD12 LEU 582 HD12 LEU 582 66.701 0.419 1.492 329 HD13 LEU 582 HD13 LEU 582 66.695 -1.336 1.649 330 HD21 LEU 582 HD21 LEU 582 62.888 -0.559 2.570 331 HD22 LEU 582 HD22 LEU 582 63.670 1.019 2.619 332 HD23 LEU 582 HD23 LEU 582 64.303 -0.308 3.592 333 H ASN 583 HN ASN 583 64.662 -2.473 -0.468 334 HA ASN 583 HA ASN 583 62.393 -2.624 -2.347 335 HB2 ASN 583 HB2 ASN 583 63.342 -4.627 -3.468 336 HB3 ASN 583 HB1 ASN 583 64.322 -3.192 -3.764 337 HD21 ASN 583 HD21 ASN 583 66.290 -2.941 -2.285 338 HD22 ASN 583 HD22 ASN 583 67.059 -4.350 -1.733 339 H LYS 584 HN LYS 584 60.836 -3.899 -1.445 340 HA LYS 584 HA LYS 584 60.981 -4.953 1.156 341 HB2 LYS 584 HB2 LYS 584 58.812 -4.697 0.260 342 HB3 LYS 584 HB1 LYS 584 59.222 -5.565 -1.216 343 HG2 LYS 584 HG2 LYS 584 57.829 -7.005 0.145 344 HG3 LYS 584 HG1 LYS 584 59.464 -7.660 0.153 345 HD2 LYS 584 HD2 LYS 584 58.603 -7.693 2.427 346 HD3 LYS 584 HD1 LYS 584 59.868 -6.471 2.325 347 HE2 LYS 584 HE2 LYS 584 58.366 -4.703 2.470 348 HE3 LYS 584 HE1 LYS 584 57.036 -5.646 1.798 349 HZ1 LYS 584 HZ1 LYS 584 57.847 -6.883 4.161 350 HZ2 LYS 584 HZ2 LYS 584 56.379 -6.089 3.848 351 HZ3 LYS 584 HZ3 LYS 584 57.692 -5.228 4.495 352 H GLY 585 HN GLY 585 62.042 -6.335 -1.861 353 HA2 GLY 585 HA2 GLY 585 62.150 -9.078 -1.220 354 HA3 GLY 585 HA1 GLY 585 63.252 -8.277 -2.331 355 H THR 586 HN THR 586 64.328 -6.467 -0.214 356 HA THR 586 HA THR 586 65.603 -8.400 1.646 357 HB THR 586 HB THR 586 67.873 -7.664 1.004 358 HG1 THR 586 HG1 THR 586 66.502 -6.325 -1.089 359 HG21 THR 586 HG21 THR 586 66.813 -9.666 -0.069 360 HG22 THR 586 HG22 THR 586 68.015 -8.881 -1.093 361 HG23 THR 586 HG23 THR 586 66.297 -8.630 -1.400 362 H PHE 587 HN PHE 587 63.799 -6.067 2.037 363 HA PHE 587 HA PHE 587 65.676 -4.169 3.365 364 HB2 PHE 587 HB2 PHE 587 64.138 -2.518 3.061 365 HB3 PHE 587 HB1 PHE 587 63.490 -3.585 1.833 366 HD1 PHE 587 HD1 PHE 587 62.003 -5.619 3.070 367 HD2 PHE 587 HD2 PHE 587 62.503 -1.568 4.412 368 HE1 PHE 587 HE1 PHE 587 59.888 -5.779 4.351 369 HE2 PHE 587 HE2 PHE 587 60.384 -1.730 5.688 370 HZ PHE 587 HZ PHE 587 59.077 -3.836 5.659 371 H LYS 588 HN LYS 588 64.577 -3.234 5.427 372 HA LYS 588 HA LYS 588 63.291 -5.315 7.095 373 HB2 LYS 588 HB2 LYS 588 65.969 -4.009 7.609 374 HB3 LYS 588 HB1 LYS 588 64.974 -4.575 8.947 375 HG2 LYS 588 HG2 LYS 588 65.736 -6.349 6.612 376 HG3 LYS 588 HG1 LYS 588 66.705 -6.231 8.079 377 HD2 LYS 588 HD2 LYS 588 65.372 -7.783 9.016 378 HD3 LYS 588 HD1 LYS 588 64.062 -6.603 8.976 379 HE2 LYS 588 HE2 LYS 588 63.340 -7.370 6.808 380 HE3 LYS 588 HE1 LYS 588 64.763 -8.395 6.636 381 HZ1 LYS 588 HZ1 LYS 588 64.019 -9.789 8.377 382 HZ2 LYS 588 HZ2 LYS 588 62.690 -9.563 7.344 383 HZ3 LYS 588 HZ3 LYS 588 62.779 -8.718 8.815 384 H GLU 589 HN GLU 589 62.524 -4.179 9.211 385 HA GLU 589 HA GLU 589 62.229 -1.253 8.791 386 HB2 GLU 589 HB2 GLU 589 59.918 -1.245 8.824 387 HB3 GLU 589 HB1 GLU 589 60.211 -2.761 7.973 388 HG2 GLU 589 HG2 GLU 589 60.171 -3.851 10.323 389 HG3 GLU 589 HG1 GLU 589 59.422 -2.346 10.856 390 H GLN 590 HN GLN 590 61.846 -0.069 10.669 391 HA GLN 590 HA GLN 590 61.710 -1.424 13.275 392 HB2 GLN 590 HB2 GLN 590 64.177 -1.275 12.575 393 HB3 GLN 590 HB1 GLN 590 63.999 0.472 12.695 394 HG2 GLN 590 HG2 GLN 590 64.829 -0.213 14.813 395 HG3 GLN 590 HG1 GLN 590 63.110 0.077 15.064 396 HE21 GLN 590 HE21 GLN 590 64.582 -2.772 13.469 397 HE22 GLN 590 HE22 GLN 590 64.019 -3.897 14.608 398 H ASN 591 HN ASN 591 60.977 0.053 14.897 399 HA ASN 591 HA ASN 591 59.761 1.910 15.646 400 HB2 ASN 591 HB2 ASN 591 61.831 3.187 13.852 401 HB3 ASN 591 HB1 ASN 591 60.684 4.138 14.788 402 HD21 ASN 591 HD21 ASN 591 63.774 2.911 14.937 403 HD22 ASN 591 HD22 ASN 591 63.952 2.807 16.622 404 H ASP 592 HN ASP 592 59.051 0.542 12.943 405 HA ASP 592 HA ASP 592 57.126 0.744 11.596 406 HB2 ASP 592 HB2 ASP 592 56.447 2.417 13.562 407 HB3 ASP 592 HB1 ASP 592 56.715 3.618 12.297 408 H LYS 593 HN LYS 593 59.892 1.484 10.788 409 HA LYS 593 HA LYS 593 59.107 2.950 8.342 410 HB2 LYS 593 HB2 LYS 593 61.643 4.005 8.892 411 HB3 LYS 593 HB1 LYS 593 60.108 4.863 8.970 412 HG2 LYS 593 HG2 LYS 593 59.902 3.978 11.367 413 HG3 LYS 593 HG1 LYS 593 61.599 3.520 11.226 414 HD2 LYS 593 HD2 LYS 593 62.178 5.858 10.660 415 HD3 LYS 593 HD1 LYS 593 60.483 6.312 10.837 416 HE2 LYS 593 HE2 LYS 593 60.541 5.554 13.198 417 HE3 LYS 593 HE1 LYS 593 62.251 5.159 13.015 418 HZ1 LYS 593 HZ1 LYS 593 60.946 7.794 13.048 419 HZ2 LYS 593 HZ2 LYS 593 62.409 7.597 12.207 420 HZ3 LYS 593 HZ3 LYS 593 62.333 7.273 13.873 421 HA PRO 594 HA PRO 594 61.641 -0.101 6.434 422 HB2 PRO 594 HB2 PRO 594 62.586 1.329 4.285 423 HB3 PRO 594 HB1 PRO 594 60.955 0.661 4.404 424 HG2 PRO 594 HG2 PRO 594 61.877 3.469 4.764 425 HG3 PRO 594 HG1 PRO 594 60.356 2.862 4.104 426 HD2 PRO 594 HD2 PRO 594 60.635 3.908 6.660 427 HD3 PRO 594 HD1 PRO 594 59.353 2.766 6.185 428 H TYR 595 HN TYR 595 63.765 -0.757 6.039 429 HA TYR 595 HA TYR 595 66.049 1.040 6.318 430 HB2 TYR 595 HB2 TYR 595 65.339 -0.953 8.500 431 HB3 TYR 595 HB1 TYR 595 66.955 -0.286 8.299 432 HD1 TYR 595 HD1 TYR 595 63.846 0.154 9.905 433 HD2 TYR 595 HD2 TYR 595 67.052 2.361 8.095 434 HE1 TYR 595 HE1 TYR 595 63.173 2.174 11.171 435 HE2 TYR 595 HE2 TYR 595 66.373 4.383 9.363 436 HH TYR 595 HH TYR 595 64.348 5.276 10.443 437 H CYS 596 HN CYS 596 67.529 0.133 4.890 438 HA CYS 596 HA CYS 596 67.145 -2.333 3.587 439 HB2 CYS 596 HB2 CYS 596 69.971 -1.529 4.092 440 HB3 CYS 596 HB1 CYS 596 69.189 -1.983 2.582 441 H GLN 597 HN GLN 597 67.886 -4.437 4.006 442 HA GLN 597 HA GLN 597 67.962 -5.353 6.655 443 HB2 GLN 597 HB2 GLN 597 67.773 -7.179 5.298 444 HB3 GLN 597 HB1 GLN 597 68.672 -6.400 4.002 445 HG2 GLN 597 HG2 GLN 597 69.903 -8.358 4.809 446 HG3 GLN 597 HG1 GLN 597 70.794 -6.890 5.195 447 HE21 GLN 597 HE21 GLN 597 67.993 -7.308 7.169 448 HE22 GLN 597 HE22 GLN 597 68.780 -7.918 8.542 449 H ASN 598 HN ASN 598 70.583 -4.213 4.586 450 HA ASN 598 HA ASN 598 72.738 -4.819 6.398 451 HB2 ASN 598 HB2 ASN 598 73.165 -4.306 4.032 452 HB3 ASN 598 HB1 ASN 598 72.507 -2.684 4.249 453 HD21 ASN 598 HD21 ASN 598 75.161 -4.820 5.393 454 HD22 ASN 598 HD22 ASN 598 76.226 -3.552 5.767 455 H CYS 599 HN CYS 599 70.599 -2.035 5.936 456 HA CYS 599 HA CYS 599 71.877 -0.342 7.902 457 HB2 CYS 599 HB2 CYS 599 69.203 -0.366 6.521 458 HB3 CYS 599 HB1 CYS 599 69.431 0.671 7.925 459 H PHE 600 HN PHE 600 68.801 -2.192 8.032 460 HA PHE 600 HA PHE 600 68.274 -2.003 10.785 461 HB2 PHE 600 HB2 PHE 600 66.674 -3.096 9.377 462 HB3 PHE 600 HB1 PHE 600 67.864 -4.254 8.797 463 HD1 PHE 600 HD1 PHE 600 68.686 -6.071 10.287 464 HD2 PHE 600 HD2 PHE 600 65.519 -3.420 11.473 465 HE1 PHE 600 HE1 PHE 600 68.040 -7.648 12.087 466 HE2 PHE 600 HE2 PHE 600 64.875 -5.000 13.273 467 HZ PHE 600 HZ PHE 600 66.135 -7.112 13.580 468 H LEU 601 HN LEU 601 70.341 -4.302 9.062 469 HA LEU 601 HA LEU 601 71.269 -5.804 11.298 470 HB2 LEU 601 HB2 LEU 601 71.622 -6.511 8.983 471 HB3 LEU 601 HB1 LEU 601 72.598 -5.083 8.667 472 HG LEU 601 HG LEU 601 74.122 -5.934 10.575 473 HD11 LEU 601 HD11 LEU 601 74.028 -8.390 10.905 474 HD12 LEU 601 HD12 LEU 601 72.567 -8.457 9.919 475 HD13 LEU 601 HD13 LEU 601 72.550 -7.608 11.464 476 HD21 LEU 601 HD21 LEU 601 74.987 -6.011 8.383 477 HD22 LEU 601 HD22 LEU 601 73.793 -7.197 7.857 478 HD23 LEU 601 HD23 LEU 601 75.111 -7.685 8.925 479 H LYS 602 HN LYS 602 72.019 -2.651 10.075 480 HA LYS 602 HA LYS 602 74.434 -2.308 11.731 481 HB2 LYS 602 HB2 LYS 602 73.603 -1.241 9.329 482 HB3 LYS 602 HB1 LYS 602 73.233 0.060 10.452 483 HG2 LYS 602 HG2 LYS 602 75.461 0.469 9.782 484 HG3 LYS 602 HG1 LYS 602 75.604 -0.280 11.372 485 HD2 LYS 602 HD2 LYS 602 77.197 -1.422 10.025 486 HD3 LYS 602 HD1 LYS 602 75.818 -2.517 10.114 487 HE2 LYS 602 HE2 LYS 602 75.157 -2.078 7.916 488 HE3 LYS 602 HE1 LYS 602 75.981 -0.519 7.873 489 HZ1 LYS 602 HZ1 LYS 602 77.250 -2.029 6.589 490 HZ2 LYS 602 HZ2 LYS 602 77.215 -3.215 7.805 491 HZ3 LYS 602 HZ3 LYS 602 78.105 -1.786 8.033 492 H LEU 603 HN LEU 603 71.064 -1.190 11.615 493 HA LEU 603 HA LEU 603 71.422 0.534 13.961 494 HB2 LEU 603 HB2 LEU 603 68.733 -0.258 12.876 495 HB3 LEU 603 HB1 LEU 603 69.236 1.270 13.582 496 HG LEU 603 HG LEU 603 69.968 0.205 10.850 497 HD11 LEU 603 HD11 LEU 603 67.727 1.200 11.034 498 HD12 LEU 603 HD12 LEU 603 68.791 2.229 10.075 499 HD13 LEU 603 HD13 LEU 603 68.428 2.653 11.748 500 HD21 LEU 603 HD21 LEU 603 71.115 2.458 10.612 501 HD22 LEU 603 HD22 LEU 603 71.933 1.321 11.682 502 HD23 LEU 603 HD23 LEU 603 70.967 2.632 12.361 503 H PHE 604 HN PHE 604 69.371 -2.298 13.239 504 HA PHE 604 HA PHE 604 68.706 -2.746 16.012 505 HB2 PHE 604 HB2 PHE 604 67.466 -3.507 13.843 506 HB3 PHE 604 HB1 PHE 604 68.562 -4.887 13.904 507 HD1 PHE 604 HD1 PHE 604 66.087 -2.967 15.945 508 HD2 PHE 604 HD2 PHE 604 68.149 -6.692 15.374 509 HE1 PHE 604 HE1 PHE 604 64.661 -4.022 17.677 510 HE2 PHE 604 HE2 PHE 604 66.723 -7.747 17.106 511 HZ PHE 604 HZ PHE 604 64.979 -6.412 18.258 512 H CYS 605 HN CYS 605 71.406 -3.627 14.033 513 HA CYS 605 HA CYS 605 72.517 -5.159 16.326 514 HB2 CYS 605 HB2 CYS 605 71.414 -6.651 14.463 515 HB3 CYS 605 HB1 CYS 605 72.875 -6.269 13.553 516 HG CYS 605 HG CYS 605 74.177 -7.197 15.798 Start of MODEL 3 1 H TYR 541 HT1 TYR 541 39.464 -5.573 -10.583 2 HA TYR 541 HA TYR 541 37.791 -4.823 -12.913 3 HB2 TYR 541 HB2 TYR 541 37.226 -5.487 -10.010 4 HB3 TYR 541 HB1 TYR 541 36.031 -4.768 -11.090 5 HD1 TYR 541 HD1 TYR 541 35.067 -6.034 -12.939 6 HD2 TYR 541 HD2 TYR 541 38.032 -7.781 -10.365 7 HE1 TYR 541 HE1 TYR 541 34.536 -8.279 -13.848 8 HE2 TYR 541 HE2 TYR 541 37.499 -10.025 -11.276 9 HH TYR 541 HH TYR 541 34.776 -10.747 -12.904 10 H HIS 542 HN HIS 542 38.976 -3.789 -9.707 11 HA HIS 542 HA HIS 542 38.040 -1.056 -10.088 12 HB2 HIS 542 HB2 HIS 542 39.885 -2.326 -8.043 13 HB3 HIS 542 HB1 HIS 542 39.367 -0.642 -7.989 14 HD1 HIS 542 HD1 HIS 542 36.799 -0.195 -7.589 15 HD2 HIS 542 HD2 HIS 542 37.934 -4.190 -7.231 16 HE1 HIS 542 HE1 HIS 542 34.870 -1.389 -6.463 17 H GLU 543 HN GLU 543 41.274 -1.363 -8.915 18 HA GLU 543 HA GLU 543 43.306 -0.507 -9.691 19 HB2 GLU 543 HB2 GLU 543 42.150 -1.233 -12.404 20 HB3 GLU 543 HB1 GLU 543 43.846 -0.901 -12.059 21 HG2 GLU 543 HG2 GLU 543 43.812 -3.228 -11.939 22 HG3 GLU 543 HG1 GLU 543 43.550 -2.795 -10.250 23 H ARG 544 HN ARG 544 41.443 0.466 -12.544 24 HA ARG 544 HA ARG 544 40.867 2.576 -13.369 25 HB2 ARG 544 HB2 ARG 544 39.932 2.804 -10.976 26 HB3 ARG 544 HB1 ARG 544 41.395 3.716 -10.621 27 HG2 ARG 544 HG2 ARG 544 40.006 5.444 -11.284 28 HG3 ARG 544 HG1 ARG 544 40.723 5.017 -12.839 29 HD2 ARG 544 HD2 ARG 544 38.813 3.749 -13.486 30 HD3 ARG 544 HD1 ARG 544 38.168 3.751 -11.844 31 HE ARG 544 HE ARG 544 38.292 6.440 -12.516 32 HH11 ARG 544 HH11 ARG 544 36.586 7.536 -13.499 33 HH12 ARG 544 HH12 ARG 544 35.422 6.651 -14.427 34 HH21 ARG 544 HH21 ARG 544 36.930 3.580 -13.891 35 HH22 ARG 544 HH22 ARG 544 35.617 4.416 -14.649 36 H ARG 545 HN ARG 545 43.295 3.438 -10.876 37 HA ARG 545 HA ARG 545 44.912 4.673 -13.056 38 HB2 ARG 545 HB2 ARG 545 45.074 5.117 -10.071 39 HB3 ARG 545 HB1 ARG 545 45.956 6.007 -11.310 40 HG2 ARG 545 HG2 ARG 545 42.971 5.866 -11.493 41 HG3 ARG 545 HG1 ARG 545 43.708 6.947 -10.324 42 HD2 ARG 545 HD2 ARG 545 43.589 8.339 -12.186 43 HD3 ARG 545 HD1 ARG 545 45.211 7.667 -12.358 44 HE ARG 545 HE ARG 545 43.578 5.885 -13.739 45 HH11 ARG 545 HH11 ARG 545 43.133 6.092 -15.935 46 HH12 ARG 545 HH12 ARG 545 43.255 7.645 -16.691 47 HH21 ARG 545 HH21 ARG 545 44.200 9.282 -13.789 48 HH22 ARG 545 HH22 ARG 545 43.857 9.449 -15.478 49 H GLY 546 HN GLY 546 45.625 3.239 -9.871 50 HA2 GLY 546 HA2 GLY 546 47.035 0.972 -10.622 51 HA3 GLY 546 HA1 GLY 546 48.199 2.288 -10.788 52 H SER 547 HN SER 547 49.025 3.269 -8.942 53 HA SER 547 HA SER 547 47.909 2.801 -6.294 54 HB2 SER 547 HB2 SER 547 49.860 0.934 -7.363 55 HB3 SER 547 HB1 SER 547 50.504 1.760 -5.949 56 HG SER 547 HG SER 547 47.964 0.490 -6.118 57 H LEU 548 HN LEU 548 48.374 4.690 -5.251 58 HA LEU 548 HA LEU 548 50.308 6.550 -6.304 59 HB2 LEU 548 HB2 LEU 548 48.552 6.468 -3.875 60 HB3 LEU 548 HB1 LEU 548 49.851 7.651 -3.949 61 HG LEU 548 HG LEU 548 48.987 8.546 -6.044 62 HD11 LEU 548 HD11 LEU 548 48.104 6.633 -7.146 63 HD12 LEU 548 HD12 LEU 548 46.711 7.663 -6.822 64 HD13 LEU 548 HD13 LEU 548 47.026 6.260 -5.802 65 HD21 LEU 548 HD21 LEU 548 48.028 9.363 -3.884 66 HD22 LEU 548 HD22 LEU 548 46.727 8.184 -4.052 67 HD23 LEU 548 HD23 LEU 548 46.890 9.491 -5.225 68 H CYS 549 HN CYS 549 52.390 6.937 -5.674 69 HA CYS 549 HA CYS 549 53.734 4.926 -4.033 70 HB2 CYS 549 HB2 CYS 549 55.210 5.586 -5.669 71 HB3 CYS 549 HB1 CYS 549 54.530 7.205 -5.776 72 H SER 550 HN SER 550 53.506 5.110 -1.847 73 HA SER 550 HA SER 550 52.624 7.384 -0.467 74 HB2 SER 550 HB2 SER 550 54.555 5.288 0.564 75 HB3 SER 550 HB1 SER 550 53.609 6.388 1.560 76 HG SER 550 HG SER 550 52.775 4.233 -0.054 77 H GLY 551 HN GLY 551 53.523 9.325 -0.589 78 HA2 GLY 551 HA2 GLY 551 55.499 10.684 0.272 79 HA3 GLY 551 HA1 GLY 551 56.505 9.567 -0.664 80 H CYS 552 HN CYS 552 54.518 9.350 -2.815 81 HA CYS 552 HA CYS 552 55.046 11.966 -4.165 82 HB2 CYS 552 HB2 CYS 552 54.859 9.128 -5.080 83 HB3 CYS 552 HB1 CYS 552 54.322 10.383 -6.195 84 H GLN 553 HN GLN 553 52.563 9.682 -3.215 85 HA GLN 553 HA GLN 553 50.229 9.800 -3.297 86 HB2 GLN 553 HB2 GLN 553 50.896 12.751 -3.554 87 HB3 GLN 553 HB1 GLN 553 49.258 12.132 -3.354 88 HG2 GLN 553 HG2 GLN 553 49.960 12.643 -1.152 89 HG3 GLN 553 HG1 GLN 553 50.163 10.899 -1.279 90 HE21 GLN 553 HE21 GLN 553 52.013 10.489 -0.026 91 HE22 GLN 553 HE22 GLN 553 53.503 11.276 -0.232 92 H LYS 554 HN LYS 554 51.846 9.436 -5.733 93 HA LYS 554 HA LYS 554 49.757 10.170 -7.730 94 HB2 LYS 554 HB2 LYS 554 52.769 10.388 -8.068 95 HB3 LYS 554 HB1 LYS 554 51.618 10.497 -9.399 96 HG2 LYS 554 HG2 LYS 554 51.558 12.309 -6.968 97 HG3 LYS 554 HG1 LYS 554 52.342 12.733 -8.489 98 HD2 LYS 554 HD2 LYS 554 50.040 12.147 -9.567 99 HD3 LYS 554 HD1 LYS 554 49.412 12.327 -7.929 100 HE2 LYS 554 HE2 LYS 554 50.403 14.600 -7.814 101 HE3 LYS 554 HE1 LYS 554 50.966 14.422 -9.477 102 HZ1 LYS 554 HZ1 LYS 554 48.698 14.175 -10.208 103 HZ2 LYS 554 HZ2 LYS 554 48.853 15.621 -9.328 104 HZ3 LYS 554 HZ3 LYS 554 48.129 14.260 -8.612 105 HA PRO 555 HA PRO 555 49.633 5.827 -8.499 106 HB2 PRO 555 HB2 PRO 555 49.731 6.452 -11.376 107 HB3 PRO 555 HB1 PRO 555 48.491 5.604 -10.444 108 HG2 PRO 555 HG2 PRO 555 48.291 8.212 -11.401 109 HG3 PRO 555 HG1 PRO 555 47.288 7.515 -10.126 110 HD2 PRO 555 HD2 PRO 555 49.328 9.585 -9.895 111 HD3 PRO 555 HD1 PRO 555 48.212 8.984 -8.642 112 H ILE 556 HN ILE 556 50.949 4.122 -9.177 113 HA ILE 556 HA ILE 556 53.731 4.903 -9.903 114 HB ILE 556 HB ILE 556 52.566 2.477 -8.511 115 HG12 ILE 556 HG12 ILE 556 54.659 4.358 -7.433 116 HG13 ILE 556 HG11 ILE 556 52.960 4.816 -7.374 117 HG21 ILE 556 HG21 ILE 556 55.372 3.061 -9.491 118 HG22 ILE 556 HG22 ILE 556 54.388 1.632 -9.806 119 HG23 ILE 556 HG23 ILE 556 55.052 1.908 -8.196 120 HD11 ILE 556 HD11 ILE 556 54.413 2.840 -5.766 121 HD12 ILE 556 HD12 ILE 556 52.916 2.208 -6.447 122 HD13 ILE 556 HD13 ILE 556 52.883 3.651 -5.435 123 H THR 557 HN THR 557 53.560 4.939 -12.163 124 HA THR 557 HA THR 557 52.273 2.753 -13.614 125 HB THR 557 HB THR 557 53.218 3.955 -15.627 126 HG1 THR 557 HG1 THR 557 55.019 4.834 -14.471 127 HG21 THR 557 HG21 THR 557 51.877 6.107 -15.126 128 HG22 THR 557 HG22 THR 557 51.549 5.378 -13.553 129 HG23 THR 557 HG23 THR 557 51.015 4.571 -15.027 130 H GLY 558 HN GLY 558 53.323 0.830 -13.367 131 HA2 GLY 558 HA2 GLY 558 55.155 -0.423 -14.637 132 HA3 GLY 558 HA1 GLY 558 56.263 0.740 -13.902 133 H ARG 559 HN ARG 559 57.386 -0.887 -12.687 134 HA ARG 559 HA ARG 559 56.077 -2.797 -10.999 135 HB2 ARG 559 HB2 ARG 559 58.831 -1.602 -11.124 136 HB3 ARG 559 HB1 ARG 559 58.376 -2.541 -9.704 137 HG2 ARG 559 HG2 ARG 559 57.680 -3.761 -12.316 138 HG3 ARG 559 HG1 ARG 559 59.404 -3.652 -11.962 139 HD2 ARG 559 HD2 ARG 559 59.119 -4.854 -9.880 140 HD3 ARG 559 HD1 ARG 559 57.363 -4.818 -10.048 141 HE ARG 559 HE ARG 559 58.227 -6.101 -12.350 142 HH11 ARG 559 HH11 ARG 559 58.478 -8.336 -12.483 143 HH12 ARG 559 HH12 ARG 559 58.759 -9.253 -11.041 144 HH21 ARG 559 HH21 ARG 559 58.679 -6.495 -8.949 145 HH22 ARG 559 HH22 ARG 559 58.872 -8.212 -9.044 146 H CYS 560 HN CYS 560 56.034 -2.672 -8.569 147 HA CYS 560 HA CYS 560 56.090 0.035 -7.420 148 HB2 CYS 560 HB2 CYS 560 53.767 0.090 -6.775 149 HB3 CYS 560 HB1 CYS 560 53.829 -0.197 -8.513 150 HG CYS 560 HG CYS 560 53.746 -2.850 -7.114 151 H ILE 561 HN ILE 561 56.518 -0.031 -5.273 152 HA ILE 561 HA ILE 561 56.869 -2.704 -4.047 153 HB ILE 561 HB ILE 561 57.542 -0.096 -2.702 154 HG12 ILE 561 HG12 ILE 561 58.425 0.053 -5.020 155 HG13 ILE 561 HG11 ILE 561 59.722 -0.096 -3.840 156 HG21 ILE 561 HG21 ILE 561 58.480 -2.953 -2.611 157 HG22 ILE 561 HG22 ILE 561 57.958 -1.913 -1.285 158 HG23 ILE 561 HG23 ILE 561 59.530 -1.657 -2.042 159 HD11 ILE 561 HD11 ILE 561 59.709 -2.592 -4.284 160 HD12 ILE 561 HD12 ILE 561 60.239 -1.602 -5.642 161 HD13 ILE 561 HD13 ILE 561 58.609 -2.274 -5.625 162 H THR 562 HN THR 562 55.837 -3.290 -2.101 163 HA THR 562 HA THR 562 53.614 -1.496 -1.210 164 HB THR 562 HB THR 562 53.559 -4.524 -1.428 165 HG1 THR 562 HG1 THR 562 53.338 -3.290 -3.397 166 HG21 THR 562 HG21 THR 562 51.060 -4.015 -0.913 167 HG22 THR 562 HG22 THR 562 51.663 -2.482 -0.284 168 HG23 THR 562 HG23 THR 562 52.208 -4.001 0.425 169 H ALA 563 HN ALA 563 54.374 -0.764 0.718 170 HA ALA 563 HA ALA 563 55.922 -2.573 2.471 171 HB1 ALA 563 HB1 ALA 563 55.141 0.313 2.948 172 HB2 ALA 563 HB2 ALA 563 56.591 -0.173 2.072 173 HB3 ALA 563 HB3 ALA 563 56.406 -0.598 3.773 174 H MET 564 HN MET 564 54.578 -0.626 4.626 175 HA MET 564 HA MET 564 52.767 -2.635 5.658 176 HB2 MET 564 HB2 MET 564 53.127 0.270 6.451 177 HB3 MET 564 HB1 MET 564 52.291 -0.955 7.402 178 HG2 MET 564 HG2 MET 564 54.306 -2.175 7.787 179 HG3 MET 564 HG1 MET 564 55.174 -1.275 6.544 180 HE1 MET 564 HE1 MET 564 57.186 0.634 8.023 181 HE2 MET 564 HE2 MET 564 56.917 -1.087 7.763 182 HE3 MET 564 HE3 MET 564 57.127 -0.474 9.400 183 H ALA 565 HN ALA 565 51.738 -2.428 3.322 184 HA ALA 565 HA ALA 565 49.664 -2.099 2.250 185 HB1 ALA 565 HB1 ALA 565 47.838 -1.334 3.442 186 HB2 ALA 565 HB2 ALA 565 48.757 -0.053 4.233 187 HB3 ALA 565 HB3 ALA 565 48.902 -1.719 4.795 188 H LYS 566 HN LYS 566 51.949 0.205 3.141 189 HA LYS 566 HA LYS 566 50.846 2.379 1.467 190 HB2 LYS 566 HB2 LYS 566 52.999 2.076 3.471 191 HB3 LYS 566 HB1 LYS 566 53.387 3.153 2.131 192 HG2 LYS 566 HG2 LYS 566 51.289 4.403 2.535 193 HG3 LYS 566 HG1 LYS 566 50.925 3.339 3.894 194 HD2 LYS 566 HD2 LYS 566 53.487 4.941 3.714 195 HD3 LYS 566 HD1 LYS 566 52.032 5.553 4.501 196 HE2 LYS 566 HE2 LYS 566 52.914 4.547 6.352 197 HE3 LYS 566 HE1 LYS 566 52.214 3.089 5.649 198 HZ1 LYS 566 HZ1 LYS 566 55.010 4.019 5.574 199 HZ2 LYS 566 HZ2 LYS 566 54.428 2.950 4.389 200 HZ3 LYS 566 HZ3 LYS 566 54.403 2.502 6.028 201 H LYS 567 HN LYS 567 51.547 2.769 -0.616 202 HA LYS 567 HA LYS 567 53.419 0.794 -1.777 203 HB2 LYS 567 HB2 LYS 567 51.407 2.722 -2.909 204 HB3 LYS 567 HB1 LYS 567 52.666 2.045 -3.942 205 HG2 LYS 567 HG2 LYS 567 50.557 0.698 -3.964 206 HG3 LYS 567 HG1 LYS 567 51.960 -0.218 -3.409 207 HD2 LYS 567 HD2 LYS 567 51.278 -0.132 -1.150 208 HD3 LYS 567 HD1 LYS 567 50.174 1.214 -1.443 209 HE2 LYS 567 HE2 LYS 567 48.551 -0.144 -2.416 210 HE3 LYS 567 HE1 LYS 567 49.718 -1.388 -2.863 211 HZ1 LYS 567 HZ1 LYS 567 49.283 -0.793 -0.020 212 HZ2 LYS 567 HZ2 LYS 567 49.752 -2.250 -0.759 213 HZ3 LYS 567 HZ3 LYS 567 48.136 -1.734 -0.844 214 H PHE 568 HN PHE 568 54.959 1.720 -3.470 215 HA PHE 568 HA PHE 568 55.919 4.468 -2.997 216 HB2 PHE 568 HB2 PHE 568 57.488 2.015 -2.145 217 HB3 PHE 568 HB1 PHE 568 58.252 3.568 -2.455 218 HD1 PHE 568 HD1 PHE 568 56.105 1.641 -0.188 219 HD2 PHE 568 HD2 PHE 568 57.816 5.502 -0.980 220 HE1 PHE 568 HE1 PHE 568 55.575 2.351 2.127 221 HE2 PHE 568 HE2 PHE 568 57.281 6.212 1.335 222 HZ PHE 568 HZ PHE 568 56.161 4.636 2.889 223 H HIS 569 HN HIS 569 57.032 5.173 -4.846 224 HA HIS 569 HA HIS 569 56.997 3.585 -7.222 225 HB2 HIS 569 HB2 HIS 569 58.534 6.049 -6.396 226 HB3 HIS 569 HB1 HIS 569 58.912 5.246 -7.916 227 HD2 HIS 569 HD2 HIS 569 56.339 4.908 -9.544 228 HE1 HIS 569 HE1 HIS 569 54.859 8.557 -8.017 229 HE2 HIS 569 HE2 HIS 569 54.570 6.797 -9.833 230 HA PRO 570 HA PRO 570 60.175 0.625 -6.255 231 HB2 PRO 570 HB2 PRO 570 60.996 0.918 -9.085 232 HB3 PRO 570 HB1 PRO 570 60.472 -0.522 -8.206 233 HG2 PRO 570 HG2 PRO 570 58.905 0.786 -10.043 234 HG3 PRO 570 HG1 PRO 570 58.272 -0.199 -8.724 235 HD2 PRO 570 HD2 PRO 570 58.190 2.730 -9.051 236 HD3 PRO 570 HD1 PRO 570 57.230 1.688 -7.970 237 H GLU 571 HN GLU 571 60.760 3.791 -7.308 238 HA GLU 571 HA GLU 571 63.690 3.531 -6.784 239 HB2 GLU 571 HB2 GLU 571 64.026 5.450 -8.209 240 HB3 GLU 571 HB1 GLU 571 63.020 4.298 -9.089 241 HG2 GLU 571 HG2 GLU 571 61.071 5.686 -7.867 242 HG3 GLU 571 HG1 GLU 571 62.300 6.944 -7.933 243 H HIS 572 HN HIS 572 60.733 4.796 -5.616 244 HA HIS 572 HA HIS 572 62.124 6.905 -4.033 245 HB2 HIS 572 HB2 HIS 572 59.168 6.348 -4.442 246 HB3 HIS 572 HB1 HIS 572 59.809 7.625 -3.408 247 HD2 HIS 572 HD2 HIS 572 62.306 8.106 -5.860 248 HE1 HIS 572 HE1 HIS 572 59.003 9.766 -7.890 249 HE2 HIS 572 HE2 HIS 572 61.538 9.609 -7.835 250 H PHE 573 HN PHE 573 61.014 3.706 -3.792 251 HA PHE 573 HA PHE 573 60.417 3.739 -0.936 252 HB2 PHE 573 HB2 PHE 573 59.515 1.994 -2.507 253 HB3 PHE 573 HB1 PHE 573 61.156 1.397 -2.719 254 HD1 PHE 573 HD1 PHE 573 59.081 2.490 0.224 255 HD2 PHE 573 HD2 PHE 573 61.576 -0.544 -1.508 256 HE1 PHE 573 HE1 PHE 573 58.858 1.131 2.285 257 HE2 PHE 573 HE2 PHE 573 61.355 -1.904 0.553 258 HZ PHE 573 HZ PHE 573 59.994 -1.066 2.449 259 H VAL 574 HN VAL 574 62.294 4.784 -0.101 260 HA VAL 574 HA VAL 574 64.844 3.270 -0.409 261 HB VAL 574 HB VAL 574 65.954 5.327 0.371 262 HG11 VAL 574 HG11 VAL 574 64.919 4.883 -2.091 263 HG12 VAL 574 HG12 VAL 574 65.856 6.323 -1.692 264 HG13 VAL 574 HG13 VAL 574 64.094 6.389 -1.692 265 HG21 VAL 574 HG21 VAL 574 64.227 6.193 1.859 266 HG22 VAL 574 HG22 VAL 574 63.110 6.386 0.507 267 HG23 VAL 574 HG23 VAL 574 64.551 7.397 0.613 268 H CYS 575 HN CYS 575 66.269 3.440 1.622 269 HA CYS 575 HA CYS 575 64.821 2.220 3.838 270 HB2 CYS 575 HB2 CYS 575 67.005 1.372 3.349 271 HB3 CYS 575 HB1 CYS 575 67.713 2.982 3.381 272 H ALA 576 HN ALA 576 64.081 3.250 5.646 273 HA ALA 576 HA ALA 576 64.260 6.141 5.859 274 HB1 ALA 576 HB1 ALA 576 63.114 5.755 8.073 275 HB2 ALA 576 HB2 ALA 576 63.246 4.022 7.777 276 HB3 ALA 576 HB3 ALA 576 62.281 5.030 6.699 277 H PHE 577 HN PHE 577 66.852 5.079 5.774 278 HA PHE 577 HA PHE 577 67.926 6.031 8.364 279 HB2 PHE 577 HB2 PHE 577 67.709 3.421 8.267 280 HB3 PHE 577 HB1 PHE 577 69.067 3.518 7.149 281 HD1 PHE 577 HD1 PHE 577 68.011 4.933 10.472 282 HD2 PHE 577 HD2 PHE 577 71.212 3.409 8.044 283 HE1 PHE 577 HE1 PHE 577 69.572 5.164 12.384 284 HE2 PHE 577 HE2 PHE 577 72.772 3.642 9.957 285 HZ PHE 577 HZ PHE 577 71.952 4.519 12.126 286 H CYS 578 HN CYS 578 69.022 4.467 5.353 287 HA CYS 578 HA CYS 578 71.088 6.592 5.056 288 HB2 CYS 578 HB2 CYS 578 71.834 5.003 3.145 289 HB3 CYS 578 HB1 CYS 578 72.081 4.459 4.803 290 H LEU 579 HN LEU 579 68.065 5.524 3.820 291 HA LEU 579 HA LEU 579 66.708 6.271 2.073 292 HB2 LEU 579 HB2 LEU 579 68.430 8.752 2.378 293 HB3 LEU 579 HB1 LEU 579 66.875 8.677 1.552 294 HG LEU 579 HG LEU 579 66.265 7.546 3.983 295 HD11 LEU 579 HD11 LEU 579 67.259 8.932 5.718 296 HD12 LEU 579 HD12 LEU 579 68.168 9.846 4.516 297 HD13 LEU 579 HD13 LEU 579 68.549 8.150 4.807 298 HD21 LEU 579 HD21 LEU 579 65.231 9.763 4.488 299 HD22 LEU 579 HD22 LEU 579 64.937 9.246 2.828 300 HD23 LEU 579 HD23 LEU 579 66.162 10.469 3.167 301 H LYS 580 HN LYS 580 69.485 5.063 1.466 302 HA LYS 580 HA LYS 580 70.340 6.297 -1.016 303 HB2 LYS 580 HB2 LYS 580 71.699 4.255 -1.304 304 HB3 LYS 580 HB1 LYS 580 71.858 4.886 0.335 305 HG2 LYS 580 HG2 LYS 580 69.914 3.258 0.918 306 HG3 LYS 580 HG1 LYS 580 70.316 2.472 -0.608 307 HD2 LYS 580 HD2 LYS 580 72.781 2.893 0.696 308 HD3 LYS 580 HD1 LYS 580 71.677 2.305 1.939 309 HE2 LYS 580 HE2 LYS 580 72.724 0.388 0.880 310 HE3 LYS 580 HE1 LYS 580 71.028 0.433 0.400 311 HZ1 LYS 580 HZ1 LYS 580 73.174 0.336 -1.282 312 HZ2 LYS 580 HZ2 LYS 580 72.694 1.965 -1.347 313 HZ3 LYS 580 HZ3 LYS 580 71.583 0.733 -1.717 314 H GLN 581 HN GLN 581 68.573 3.274 -0.312 315 HA GLN 581 HA GLN 581 66.603 3.597 -2.323 316 HB2 GLN 581 HB2 GLN 581 69.066 2.943 -3.470 317 HB3 GLN 581 HB1 GLN 581 68.243 1.393 -3.341 318 HG2 GLN 581 HG2 GLN 581 66.403 3.430 -4.262 319 HG3 GLN 581 HG1 GLN 581 67.826 3.377 -5.301 320 HE21 GLN 581 HE21 GLN 581 65.037 1.540 -4.182 321 HE22 GLN 581 HE22 GLN 581 65.199 0.265 -5.288 322 H LEU 582 HN LEU 582 65.257 1.596 -2.448 323 HA LEU 582 HA LEU 582 66.026 -0.624 -0.705 324 HB2 LEU 582 HB2 LEU 582 65.043 1.416 0.677 325 HB3 LEU 582 HB1 LEU 582 63.504 0.758 0.130 326 HG LEU 582 HG LEU 582 64.287 -1.490 0.980 327 HD11 LEU 582 HD11 LEU 582 66.460 -1.652 1.545 328 HD12 LEU 582 HD12 LEU 582 66.091 -0.661 2.955 329 HD13 LEU 582 HD13 LEU 582 66.666 0.097 1.473 330 HD21 LEU 582 HD21 LEU 582 64.127 -0.585 3.487 331 HD22 LEU 582 HD22 LEU 582 62.730 -0.556 2.411 332 HD23 LEU 582 HD23 LEU 582 63.683 0.906 2.656 333 H ASN 583 HN ASN 583 64.385 -2.337 -0.683 334 HA ASN 583 HA ASN 583 62.176 -2.145 -2.617 335 HB2 ASN 583 HB2 ASN 583 64.197 -2.710 -3.994 336 HB3 ASN 583 HB1 ASN 583 64.407 -4.164 -3.020 337 HD21 ASN 583 HD21 ASN 583 63.220 -5.993 -3.654 338 HD22 ASN 583 HD22 ASN 583 61.966 -5.974 -4.798 339 H LYS 584 HN LYS 584 60.517 -3.312 -1.788 340 HA LYS 584 HA LYS 584 60.531 -4.635 0.673 341 HB2 LYS 584 HB2 LYS 584 58.411 -4.110 -0.221 342 HB3 LYS 584 HB1 LYS 584 58.773 -4.879 -1.762 343 HG2 LYS 584 HG2 LYS 584 57.219 -6.283 -0.514 344 HG3 LYS 584 HG1 LYS 584 58.777 -7.099 -0.620 345 HD2 LYS 584 HD2 LYS 584 58.170 -7.352 1.648 346 HD3 LYS 584 HD1 LYS 584 59.284 -5.988 1.668 347 HE2 LYS 584 HE2 LYS 584 57.371 -5.379 3.011 348 HE3 LYS 584 HE1 LYS 584 57.278 -4.456 1.512 349 HZ1 LYS 584 HZ1 LYS 584 55.280 -5.327 1.209 350 HZ2 LYS 584 HZ2 LYS 584 55.452 -6.348 2.556 351 HZ3 LYS 584 HZ3 LYS 584 55.995 -6.854 1.028 352 H GLY 585 HN GLY 585 61.500 -5.843 -2.453 353 HA2 GLY 585 HA2 GLY 585 61.343 -8.603 -2.188 354 HA3 GLY 585 HA1 GLY 585 62.663 -7.795 -3.022 355 H THR 586 HN THR 586 63.764 -6.464 -0.679 356 HA THR 586 HA THR 586 64.426 -8.683 1.170 357 HB THR 586 HB THR 586 66.886 -8.342 0.795 358 HG1 THR 586 HG1 THR 586 66.015 -6.997 -1.541 359 HG21 THR 586 HG21 THR 586 67.001 -9.717 -1.184 360 HG22 THR 586 HG22 THR 586 65.417 -9.164 -1.725 361 HG23 THR 586 HG23 THR 586 65.552 -10.187 -0.295 362 H PHE 587 HN PHE 587 63.094 -6.119 1.586 363 HA PHE 587 HA PHE 587 65.168 -4.554 3.034 364 HB2 PHE 587 HB2 PHE 587 63.809 -2.725 2.848 365 HB3 PHE 587 HB1 PHE 587 63.097 -3.637 1.532 366 HD1 PHE 587 HD1 PHE 587 62.194 -1.673 4.153 367 HD2 PHE 587 HD2 PHE 587 61.414 -5.622 2.651 368 HE1 PHE 587 HE1 PHE 587 60.028 -1.704 5.358 369 HE2 PHE 587 HE2 PHE 587 59.251 -5.652 3.861 370 HZ PHE 587 HZ PHE 587 58.557 -3.694 5.213 371 H LYS 588 HN LYS 588 64.134 -3.587 5.146 372 HA LYS 588 HA LYS 588 62.668 -5.643 6.700 373 HB2 LYS 588 HB2 LYS 588 65.378 -4.467 7.370 374 HB3 LYS 588 HB1 LYS 588 64.336 -5.163 8.605 375 HG2 LYS 588 HG2 LYS 588 65.337 -6.618 6.137 376 HG3 LYS 588 HG1 LYS 588 65.992 -6.804 7.761 377 HD2 LYS 588 HD2 LYS 588 63.238 -7.575 6.783 378 HD3 LYS 588 HD1 LYS 588 64.485 -8.631 7.433 379 HE2 LYS 588 HE2 LYS 588 64.302 -7.336 9.610 380 HE3 LYS 588 HE1 LYS 588 62.871 -6.557 8.935 381 HZ1 LYS 588 HZ1 LYS 588 63.279 -9.448 9.444 382 HZ2 LYS 588 HZ2 LYS 588 61.979 -8.834 8.539 383 HZ3 LYS 588 HZ3 LYS 588 62.147 -8.419 10.178 384 H GLU 589 HN GLU 589 62.014 -4.549 8.897 385 HA GLU 589 HA GLU 589 61.833 -1.605 8.583 386 HB2 GLU 589 HB2 GLU 589 59.518 -1.503 8.666 387 HB3 GLU 589 HB1 GLU 589 59.745 -2.975 7.724 388 HG2 GLU 589 HG2 GLU 589 59.719 -4.173 10.045 389 HG3 GLU 589 HG1 GLU 589 58.962 -2.687 10.617 390 H GLN 590 HN GLN 590 61.504 -0.481 10.524 391 HA GLN 590 HA GLN 590 61.352 -1.952 13.066 392 HB2 GLN 590 HB2 GLN 590 63.814 -1.851 12.345 393 HB3 GLN 590 HB1 GLN 590 63.694 -0.106 12.546 394 HG2 GLN 590 HG2 GLN 590 64.529 -0.925 14.619 395 HG3 GLN 590 HG1 GLN 590 62.827 -0.570 14.905 396 HE21 GLN 590 HE21 GLN 590 64.142 -3.410 13.165 397 HE22 GLN 590 HE22 GLN 590 63.544 -4.558 14.263 398 H ASN 591 HN ASN 591 60.624 -0.556 14.739 399 HA ASN 591 HA ASN 591 59.465 1.298 15.578 400 HB2 ASN 591 HB2 ASN 591 61.662 2.568 13.945 401 HB3 ASN 591 HB1 ASN 591 60.508 3.539 14.852 402 HD21 ASN 591 HD21 ASN 591 63.509 2.081 15.119 403 HD22 ASN 591 HD22 ASN 591 63.590 1.940 16.809 404 H ASP 592 HN ASP 592 58.718 0.117 12.834 405 HA ASP 592 HA ASP 592 56.844 0.488 11.456 406 HB2 ASP 592 HB2 ASP 592 56.258 2.147 13.488 407 HB3 ASP 592 HB1 ASP 592 56.555 3.349 12.228 408 H LYS 593 HN LYS 593 59.684 1.155 10.750 409 HA LYS 593 HA LYS 593 59.000 2.762 8.356 410 HB2 LYS 593 HB2 LYS 593 61.612 3.599 9.053 411 HB3 LYS 593 HB1 LYS 593 60.145 4.571 9.017 412 HG2 LYS 593 HG2 LYS 593 59.683 3.677 11.381 413 HG3 LYS 593 HG1 LYS 593 61.358 3.125 11.370 414 HD2 LYS 593 HD2 LYS 593 62.115 5.425 10.885 415 HD3 LYS 593 HD1 LYS 593 60.441 5.978 10.910 416 HE2 LYS 593 HE2 LYS 593 61.784 4.605 13.253 417 HE3 LYS 593 HE1 LYS 593 61.689 6.356 13.072 418 HZ1 LYS 593 HZ1 LYS 593 59.229 6.055 12.864 419 HZ2 LYS 593 HZ2 LYS 593 59.867 5.700 14.398 420 HZ3 LYS 593 HZ3 LYS 593 59.441 4.441 13.338 421 HA PRO 594 HA PRO 594 61.404 -0.301 6.303 422 HB2 PRO 594 HB2 PRO 594 62.484 1.186 4.266 423 HB3 PRO 594 HB1 PRO 594 60.806 0.638 4.319 424 HG2 PRO 594 HG2 PRO 594 61.929 3.341 4.872 425 HG3 PRO 594 HG1 PRO 594 60.382 2.894 4.150 426 HD2 PRO 594 HD2 PRO 594 60.690 3.750 6.776 427 HD3 PRO 594 HD1 PRO 594 59.329 2.753 6.202 428 H TYR 595 HN TYR 595 63.482 -1.079 5.932 429 HA TYR 595 HA TYR 595 65.872 0.549 6.355 430 HB2 TYR 595 HB2 TYR 595 64.994 -1.534 8.386 431 HB3 TYR 595 HB1 TYR 595 66.652 -0.955 8.258 432 HD1 TYR 595 HD1 TYR 595 67.104 1.537 8.527 433 HD2 TYR 595 HD2 TYR 595 63.346 -0.277 9.532 434 HE1 TYR 595 HE1 TYR 595 66.514 3.516 9.903 435 HE2 TYR 595 HE2 TYR 595 62.760 1.701 10.902 436 HH TYR 595 HH TYR 595 64.432 4.622 10.725 437 H CYS 596 HN CYS 596 67.371 -0.363 4.954 438 HA CYS 596 HA CYS 596 66.855 -2.674 3.426 439 HB2 CYS 596 HB2 CYS 596 69.702 -2.109 4.140 440 HB3 CYS 596 HB1 CYS 596 68.992 -2.453 2.566 441 H GLN 597 HN GLN 597 67.433 -4.852 3.682 442 HA GLN 597 HA GLN 597 67.298 -5.980 6.250 443 HB2 GLN 597 HB2 GLN 597 66.969 -7.612 4.663 444 HB3 GLN 597 HB1 GLN 597 68.115 -6.876 3.546 445 HG2 GLN 597 HG2 GLN 597 68.944 -9.057 4.332 446 HG3 GLN 597 HG1 GLN 597 69.991 -7.756 4.885 447 HE21 GLN 597 HE21 GLN 597 66.969 -7.873 6.566 448 HE22 GLN 597 HE22 GLN 597 67.532 -8.648 7.966 449 H ASN 598 HN ASN 598 70.082 -4.883 4.389 450 HA ASN 598 HA ASN 598 72.098 -5.840 6.214 451 HB2 ASN 598 HB2 ASN 598 72.625 -5.157 3.890 452 HB3 ASN 598 HB1 ASN 598 72.180 -3.497 4.281 453 HD21 ASN 598 HD21 ASN 598 74.466 -6.089 5.293 454 HD22 ASN 598 HD22 ASN 598 75.689 -5.022 5.791 455 H CYS 599 HN CYS 599 70.213 -2.853 5.920 456 HA CYS 599 HA CYS 599 71.555 -1.433 8.049 457 HB2 CYS 599 HB2 CYS 599 68.906 -1.141 6.639 458 HB3 CYS 599 HB1 CYS 599 69.226 -0.208 8.097 459 H PHE 600 HN PHE 600 68.333 -3.022 7.961 460 HA PHE 600 HA PHE 600 67.757 -3.012 10.713 461 HB2 PHE 600 HB2 PHE 600 66.124 -3.827 9.133 462 HB3 PHE 600 HB1 PHE 600 67.211 -5.090 8.570 463 HD1 PHE 600 HD1 PHE 600 64.781 -4.116 11.104 464 HD2 PHE 600 HD2 PHE 600 67.780 -7.015 10.072 465 HE1 PHE 600 HE1 PHE 600 63.858 -5.678 12.795 466 HE2 PHE 600 HE2 PHE 600 66.860 -8.571 11.768 467 HZ PHE 600 HZ PHE 600 64.897 -7.903 13.128 468 H LEU 601 HN LEU 601 69.658 -5.334 8.835 469 HA LEU 601 HA LEU 601 70.382 -7.095 10.957 470 HB2 LEU 601 HB2 LEU 601 70.731 -7.660 8.609 471 HB3 LEU 601 HB1 LEU 601 71.822 -6.298 8.408 472 HG LEU 601 HG LEU 601 73.257 -7.392 10.246 473 HD11 LEU 601 HD11 LEU 601 72.942 -9.859 10.421 474 HD12 LEU 601 HD12 LEU 601 71.456 -9.712 9.482 475 HD13 LEU 601 HD13 LEU 601 71.570 -8.964 11.075 476 HD21 LEU 601 HD21 LEU 601 73.851 -7.363 7.853 477 HD22 LEU 601 HD22 LEU 601 72.864 -8.800 7.588 478 HD23 LEU 601 HD23 LEU 601 74.311 -8.898 8.592 479 H LYS 602 HN LYS 602 71.432 -3.932 10.026 480 HA LYS 602 HA LYS 602 73.829 -3.948 11.744 481 HB2 LYS 602 HB2 LYS 602 73.157 -2.610 9.427 482 HB3 LYS 602 HB1 LYS 602 72.877 -1.381 10.653 483 HG2 LYS 602 HG2 LYS 602 75.148 -1.122 10.059 484 HG3 LYS 602 HG1 LYS 602 75.184 -2.012 11.580 485 HD2 LYS 602 HD2 LYS 602 76.703 -3.172 10.161 486 HD3 LYS 602 HD1 LYS 602 75.234 -4.147 10.146 487 HE2 LYS 602 HE2 LYS 602 74.646 -3.465 7.985 488 HE3 LYS 602 HE1 LYS 602 75.622 -1.998 8.075 489 HZ1 LYS 602 HZ1 LYS 602 77.609 -3.459 8.132 490 HZ2 LYS 602 HZ2 LYS 602 76.734 -3.548 6.678 491 HZ3 LYS 602 HZ3 LYS 602 76.600 -4.789 7.831 492 H LEU 603 HN LEU 603 70.578 -2.514 11.658 493 HA LEU 603 HA LEU 603 71.024 -1.032 14.147 494 HB2 LEU 603 HB2 LEU 603 68.303 -1.498 12.964 495 HB3 LEU 603 HB1 LEU 603 68.921 -0.080 13.796 496 HG LEU 603 HG LEU 603 69.619 -0.987 10.999 497 HD11 LEU 603 HD11 LEU 603 67.468 0.158 11.185 498 HD12 LEU 603 HD12 LEU 603 68.639 1.208 10.388 499 HD13 LEU 603 HD13 LEU 603 68.227 1.473 12.082 500 HD21 LEU 603 HD21 LEU 603 70.911 1.227 10.986 501 HD22 LEU 603 HD22 LEU 603 71.652 -0.098 11.883 502 HD23 LEU 603 HD23 LEU 603 70.797 1.182 12.746 503 H PHE 604 HN PHE 604 68.803 -3.640 13.147 504 HA PHE 604 HA PHE 604 68.031 -4.241 15.871 505 HB2 PHE 604 HB2 PHE 604 66.781 -4.703 13.610 506 HB3 PHE 604 HB1 PHE 604 67.723 -6.194 13.610 507 HD1 PHE 604 HD1 PHE 604 67.048 -8.037 14.919 508 HD2 PHE 604 HD2 PHE 604 65.430 -4.143 15.739 509 HE1 PHE 604 HE1 PHE 604 65.467 -9.036 16.546 510 HE2 PHE 604 HE2 PHE 604 63.848 -5.142 17.365 511 HZ PHE 604 HZ PHE 604 63.866 -7.589 17.769 512 H CYS 605 HN CYS 605 70.688 -5.175 13.870 513 HA CYS 605 HA CYS 605 71.603 -7.006 16.025 514 HB2 CYS 605 HB2 CYS 605 70.414 -8.202 13.992 515 HB3 CYS 605 HB1 CYS 605 71.952 -7.905 13.182 516 HG CYS 605 HG CYS 605 73.030 -9.151 15.393 Start of MODEL 4 1 H TYR 541 HT1 TYR 541 47.370 -2.227 -15.452 2 HA TYR 541 HA TYR 541 47.202 -0.310 -17.713 3 HB2 TYR 541 HB2 TYR 541 45.581 -1.926 -18.650 4 HB3 TYR 541 HB1 TYR 541 47.175 -2.657 -18.471 5 HD1 TYR 541 HD1 TYR 541 47.619 -4.310 -16.702 6 HD2 TYR 541 HD2 TYR 541 43.716 -2.592 -17.227 7 HE1 TYR 541 HE1 TYR 541 46.647 -6.077 -15.259 8 HE2 TYR 541 HE2 TYR 541 42.745 -4.359 -15.784 9 HH TYR 541 HH TYR 541 43.909 -7.079 -15.177 10 H HIS 542 HN HIS 542 46.437 -0.733 -14.567 11 HA HIS 542 HA HIS 542 43.570 -0.306 -14.587 12 HB2 HIS 542 HB2 HIS 542 44.000 0.406 -12.170 13 HB3 HIS 542 HB1 HIS 542 44.499 -1.231 -12.589 14 HD1 HIS 542 HD1 HIS 542 46.879 -1.807 -12.092 15 HD2 HIS 542 HD2 HIS 542 46.312 2.316 -12.324 16 HE1 HIS 542 HE1 HIS 542 49.092 -0.744 -11.469 17 H GLU 543 HN GLU 543 42.798 1.786 -13.304 18 HA GLU 543 HA GLU 543 44.238 4.187 -14.322 19 HB2 GLU 543 HB2 GLU 543 41.503 4.816 -14.522 20 HB3 GLU 543 HB1 GLU 543 42.625 4.560 -15.855 21 HG2 GLU 543 HG2 GLU 543 40.750 3.083 -16.199 22 HG3 GLU 543 HG1 GLU 543 42.115 2.086 -15.699 23 H ARG 544 HN ARG 544 41.122 3.658 -12.661 24 HA ARG 544 HA ARG 544 41.625 5.772 -10.763 25 HB2 ARG 544 HB2 ARG 544 39.478 3.875 -11.362 26 HB3 ARG 544 HB1 ARG 544 39.675 4.130 -9.632 27 HG2 ARG 544 HG2 ARG 544 38.185 5.841 -10.272 28 HG3 ARG 544 HG1 ARG 544 39.749 6.655 -10.215 29 HD2 ARG 544 HD2 ARG 544 39.862 6.895 -12.493 30 HD3 ARG 544 HD1 ARG 544 39.014 5.378 -12.795 31 HE ARG 544 HE ARG 544 37.069 7.029 -11.699 32 HH11 ARG 544 HH11 ARG 544 35.743 8.354 -12.947 33 HH12 ARG 544 HH12 ARG 544 36.276 8.868 -14.512 34 HH21 ARG 544 HH21 ARG 544 39.301 7.193 -14.330 35 HH22 ARG 544 HH22 ARG 544 38.286 8.212 -15.293 36 H ARG 545 HN ARG 545 42.391 2.385 -10.866 37 HA ARG 545 HA ARG 545 43.032 2.320 -7.969 38 HB2 ARG 545 HB2 ARG 545 43.485 0.075 -9.936 39 HB3 ARG 545 HB1 ARG 545 43.228 -0.029 -8.197 40 HG2 ARG 545 HG2 ARG 545 41.059 -0.442 -8.684 41 HG3 ARG 545 HG1 ARG 545 40.952 1.273 -9.083 42 HD2 ARG 545 HD2 ARG 545 40.263 0.458 -11.110 43 HD3 ARG 545 HD1 ARG 545 42.000 0.347 -11.388 44 HE ARG 545 HE ARG 545 41.346 -2.073 -10.187 45 HH11 ARG 545 HH11 ARG 545 40.750 -3.900 -11.360 46 HH12 ARG 545 HH12 ARG 545 40.089 -3.719 -12.950 47 HH21 ARG 545 HH21 ARG 545 40.288 -0.262 -12.932 48 HH22 ARG 545 HH22 ARG 545 39.827 -1.665 -13.838 49 H GLY 546 HN GLY 546 45.225 0.491 -8.194 50 HA2 GLY 546 HA2 GLY 546 47.448 0.467 -9.310 51 HA3 GLY 546 HA1 GLY 546 47.272 2.207 -9.524 52 H SER 547 HN SER 547 46.029 2.090 -6.654 53 HA SER 547 HA SER 547 46.763 2.415 -4.460 54 HB2 SER 547 HB2 SER 547 48.449 0.305 -5.519 55 HB3 SER 547 HB1 SER 547 49.341 1.310 -4.387 56 HG SER 547 HG SER 547 47.528 -0.546 -3.863 57 H LEU 548 HN LEU 548 47.409 4.419 -3.844 58 HA LEU 548 HA LEU 548 49.241 5.981 -5.443 59 HB2 LEU 548 HB2 LEU 548 47.785 6.396 -2.855 60 HB3 LEU 548 HB1 LEU 548 49.114 7.475 -3.262 61 HG LEU 548 HG LEU 548 48.052 8.090 -5.358 62 HD11 LEU 548 HD11 LEU 548 46.997 6.098 -6.085 63 HD12 LEU 548 HD12 LEU 548 45.669 7.206 -5.747 64 HD13 LEU 548 HD13 LEU 548 46.077 5.940 -4.588 65 HD21 LEU 548 HD21 LEU 548 46.085 9.245 -4.492 66 HD22 LEU 548 HD22 LEU 548 47.347 9.257 -3.260 67 HD23 LEU 548 HD23 LEU 548 45.996 8.131 -3.128 68 H CYS 549 HN CYS 549 51.396 6.419 -5.086 69 HA CYS 549 HA CYS 549 52.862 4.602 -3.320 70 HB2 CYS 549 HB2 CYS 549 54.157 4.946 -5.191 71 HB3 CYS 549 HB1 CYS 549 53.524 6.566 -5.459 72 H SER 550 HN SER 550 52.908 5.117 -1.174 73 HA SER 550 HA SER 550 52.258 7.615 -0.071 74 HB2 SER 550 HB2 SER 550 54.223 5.599 1.053 75 HB3 SER 550 HB1 SER 550 53.440 6.884 1.965 76 HG SER 550 HG SER 550 52.364 4.541 0.842 77 H GLY 551 HN GLY 551 53.209 9.468 -0.593 78 HA2 GLY 551 HA2 GLY 551 55.329 10.824 -0.168 79 HA3 GLY 551 HA1 GLY 551 56.167 9.531 -1.039 80 H CYS 552 HN CYS 552 53.929 9.116 -2.885 81 HA CYS 552 HA CYS 552 54.369 11.484 -4.658 82 HB2 CYS 552 HB2 CYS 552 53.981 8.555 -5.124 83 HB3 CYS 552 HB1 CYS 552 53.388 9.674 -6.349 84 H GLN 553 HN GLN 553 51.955 9.475 -3.102 85 HA GLN 553 HA GLN 553 49.631 9.676 -2.946 86 HB2 GLN 553 HB2 GLN 553 50.523 12.499 -3.512 87 HB3 GLN 553 HB1 GLN 553 48.803 12.118 -3.453 88 HG2 GLN 553 HG2 GLN 553 49.749 12.859 -1.246 89 HG3 GLN 553 HG1 GLN 553 49.002 11.265 -1.197 90 HE21 GLN 553 HE21 GLN 553 50.256 9.769 -0.095 91 HE22 GLN 553 HE22 GLN 553 51.950 9.783 -0.008 92 H LYS 554 HN LYS 554 50.943 8.893 -5.459 93 HA LYS 554 HA LYS 554 48.661 9.415 -7.303 94 HB2 LYS 554 HB2 LYS 554 51.620 9.475 -7.990 95 HB3 LYS 554 HB1 LYS 554 50.335 9.415 -9.195 96 HG2 LYS 554 HG2 LYS 554 50.589 11.581 -7.088 97 HG3 LYS 554 HG1 LYS 554 51.168 11.739 -8.745 98 HD2 LYS 554 HD2 LYS 554 48.754 11.087 -9.432 99 HD3 LYS 554 HD1 LYS 554 48.328 11.475 -7.766 100 HE2 LYS 554 HE2 LYS 554 49.759 13.364 -9.659 101 HE3 LYS 554 HE1 LYS 554 48.033 13.420 -9.297 102 HZ1 LYS 554 HZ1 LYS 554 50.261 14.326 -7.729 103 HZ2 LYS 554 HZ2 LYS 554 49.184 13.355 -6.845 104 HZ3 LYS 554 HZ3 LYS 554 48.623 14.753 -7.630 105 HA PRO 555 HA PRO 555 48.329 5.022 -7.436 106 HB2 PRO 555 HB2 PRO 555 48.229 5.229 -10.376 107 HB3 PRO 555 HB1 PRO 555 47.043 4.566 -9.245 108 HG2 PRO 555 HG2 PRO 555 46.830 7.019 -10.541 109 HG3 PRO 555 HG1 PRO 555 45.923 6.549 -9.102 110 HD2 PRO 555 HD2 PRO 555 48.034 8.547 -9.340 111 HD3 PRO 555 HD1 PRO 555 47.011 8.178 -7.928 112 H ILE 556 HN ILE 556 49.500 3.162 -7.992 113 HA ILE 556 HA ILE 556 52.247 3.690 -9.023 114 HB ILE 556 HB ILE 556 51.120 1.597 -7.144 115 HG12 ILE 556 HG12 ILE 556 53.385 3.518 -6.618 116 HG13 ILE 556 HG11 ILE 556 51.714 4.050 -6.450 117 HG21 ILE 556 HG21 ILE 556 52.776 0.469 -8.480 118 HG22 ILE 556 HG22 ILE 556 53.556 0.888 -6.956 119 HG23 ILE 556 HG23 ILE 556 53.870 1.848 -8.400 120 HD11 ILE 556 HD11 ILE 556 52.180 1.469 -5.160 121 HD12 ILE 556 HD12 ILE 556 51.458 2.937 -4.502 122 HD13 ILE 556 HD13 ILE 556 53.209 2.740 -4.503 123 H THR 557 HN THR 557 51.977 3.326 -11.226 124 HA THR 557 HA THR 557 50.458 1.019 -12.201 125 HB THR 557 HB THR 557 51.317 1.805 -14.444 126 HG1 THR 557 HG1 THR 557 53.235 2.762 -13.515 127 HG21 THR 557 HG21 THR 557 49.800 3.549 -12.524 128 HG22 THR 557 HG22 THR 557 49.217 2.684 -13.946 129 HG23 THR 557 HG23 THR 557 50.166 4.157 -14.139 130 H GLY 558 HN GLY 558 51.319 -0.967 -12.148 131 HA2 GLY 558 HA2 GLY 558 53.025 -2.501 -13.102 132 HA3 GLY 558 HA1 GLY 558 54.247 -1.301 -12.664 133 H ARG 559 HN ARG 559 55.380 -2.776 -11.251 134 HA ARG 559 HA ARG 559 54.131 -4.288 -9.190 135 HB2 ARG 559 HB2 ARG 559 56.901 -3.190 -9.600 136 HB3 ARG 559 HB1 ARG 559 56.475 -4.017 -8.104 137 HG2 ARG 559 HG2 ARG 559 57.290 -5.730 -9.485 138 HG3 ARG 559 HG1 ARG 559 55.547 -5.888 -9.620 139 HD2 ARG 559 HD2 ARG 559 55.621 -5.463 -11.829 140 HD3 ARG 559 HD1 ARG 559 56.559 -3.997 -11.553 141 HE ARG 559 HE ARG 559 58.413 -6.032 -11.244 142 HH11 ARG 559 HH11 ARG 559 59.642 -6.842 -12.949 143 HH12 ARG 559 HH12 ARG 559 59.053 -6.699 -14.571 144 HH21 ARG 559 HH21 ARG 559 56.129 -5.086 -13.656 145 HH22 ARG 559 HH22 ARG 559 57.069 -5.707 -14.971 146 H CYS 560 HN CYS 560 54.626 -3.733 -6.778 147 HA CYS 560 HA CYS 560 54.686 -0.900 -6.102 148 HB2 CYS 560 HB2 CYS 560 52.434 -0.740 -5.196 149 HB3 CYS 560 HB1 CYS 560 52.334 -1.193 -6.896 150 HG CYS 560 HG CYS 560 52.365 -3.705 -5.270 151 H ILE 561 HN ILE 561 55.367 -0.650 -4.042 152 HA ILE 561 HA ILE 561 55.795 -3.106 -2.446 153 HB ILE 561 HB ILE 561 56.668 -0.347 -1.620 154 HG12 ILE 561 HG12 ILE 561 57.296 -0.567 -3.999 155 HG13 ILE 561 HG11 ILE 561 58.720 -0.651 -2.971 156 HG21 ILE 561 HG21 ILE 561 57.359 -1.774 0.030 157 HG22 ILE 561 HG22 ILE 561 58.707 -2.030 -1.080 158 HG23 ILE 561 HG23 ILE 561 57.369 -3.175 -1.041 159 HD11 ILE 561 HD11 ILE 561 58.267 -3.247 -3.048 160 HD12 ILE 561 HD12 ILE 561 59.086 -2.458 -4.394 161 HD13 ILE 561 HD13 ILE 561 57.369 -2.842 -4.510 162 H THR 562 HN THR 562 55.004 -3.319 -0.309 163 HA THR 562 HA THR 562 52.921 -1.333 0.505 164 HB THR 562 HB THR 562 52.776 -4.351 0.789 165 HG1 THR 562 HG1 THR 562 52.374 -3.481 -1.323 166 HG21 THR 562 HG21 THR 562 50.366 -3.685 1.474 167 HG22 THR 562 HG22 THR 562 51.042 -2.080 1.749 168 HG23 THR 562 HG23 THR 562 51.651 -3.461 2.660 169 H ALA 563 HN ALA 563 53.924 -0.336 2.190 170 HA ALA 563 HA ALA 563 55.612 -1.904 4.038 171 HB1 ALA 563 HB1 ALA 563 56.263 0.227 4.960 172 HB2 ALA 563 HB2 ALA 563 54.918 1.041 4.159 173 HB3 ALA 563 HB3 ALA 563 56.253 0.395 3.205 174 H MET 564 HN MET 564 54.522 0.376 6.004 175 HA MET 564 HA MET 564 52.787 -1.417 7.483 176 HB2 MET 564 HB2 MET 564 53.350 1.541 7.822 177 HB3 MET 564 HB1 MET 564 52.498 0.538 8.994 178 HG2 MET 564 HG2 MET 564 54.522 -0.931 9.136 179 HG3 MET 564 HG1 MET 564 55.367 0.195 8.074 180 HE1 MET 564 HE1 MET 564 53.532 -0.446 11.283 181 HE2 MET 564 HE2 MET 564 54.424 0.489 12.479 182 HE3 MET 564 HE3 MET 564 55.230 -0.814 11.611 183 H ALA 565 HN ALA 565 51.537 -1.487 5.258 184 HA ALA 565 HA ALA 565 49.368 -1.236 4.366 185 HB1 ALA 565 HB1 ALA 565 47.697 -0.221 5.600 186 HB2 ALA 565 HB2 ALA 565 48.732 1.117 6.100 187 HB3 ALA 565 HB3 ALA 565 48.882 -0.455 6.885 188 H LYS 566 HN LYS 566 51.792 1.088 4.673 189 HA LYS 566 HA LYS 566 50.572 3.027 2.805 190 HB2 LYS 566 HB2 LYS 566 52.934 2.937 4.586 191 HB3 LYS 566 HB1 LYS 566 53.185 3.792 3.064 192 HG2 LYS 566 HG2 LYS 566 51.158 5.153 3.512 193 HG3 LYS 566 HG1 LYS 566 50.963 4.328 5.058 194 HD2 LYS 566 HD2 LYS 566 53.486 5.819 4.294 195 HD3 LYS 566 HD1 LYS 566 52.156 6.568 5.177 196 HE2 LYS 566 HE2 LYS 566 53.241 5.817 7.030 197 HE3 LYS 566 HE1 LYS 566 52.527 4.259 6.612 198 HZ1 LYS 566 HZ1 LYS 566 54.891 4.032 6.928 199 HZ2 LYS 566 HZ2 LYS 566 55.203 5.245 5.780 200 HZ3 LYS 566 HZ3 LYS 566 54.514 3.770 5.295 201 H LYS 567 HN LYS 567 51.030 3.061 0.626 202 HA LYS 567 HA LYS 567 52.707 0.858 -0.416 203 HB2 LYS 567 HB2 LYS 567 50.621 2.671 -1.598 204 HB3 LYS 567 HB1 LYS 567 51.732 1.796 -2.650 205 HG2 LYS 567 HG2 LYS 567 49.604 0.549 -2.218 206 HG3 LYS 567 HG1 LYS 567 51.042 -0.330 -1.698 207 HD2 LYS 567 HD2 LYS 567 50.645 0.120 0.586 208 HD3 LYS 567 HD1 LYS 567 49.542 1.451 0.221 209 HE2 LYS 567 HE2 LYS 567 47.782 0.030 -0.327 210 HE3 LYS 567 HE1 LYS 567 48.855 -1.309 -0.727 211 HZ1 LYS 567 HZ1 LYS 567 48.836 -0.312 2.028 212 HZ2 LYS 567 HZ2 LYS 567 49.109 -1.886 1.448 213 HZ3 LYS 567 HZ3 LYS 567 47.529 -1.264 1.513 214 H PHE 568 HN PHE 568 54.050 1.447 -2.401 215 HA PHE 568 HA PHE 568 55.132 4.190 -2.474 216 HB2 PHE 568 HB2 PHE 568 56.734 1.821 -1.459 217 HB3 PHE 568 HB1 PHE 568 57.489 3.283 -2.080 218 HD1 PHE 568 HD1 PHE 568 57.293 5.418 -0.857 219 HD2 PHE 568 HD2 PHE 568 55.574 1.790 0.674 220 HE1 PHE 568 HE1 PHE 568 57.060 6.469 1.377 221 HE2 PHE 568 HE2 PHE 568 55.336 2.844 2.905 222 HZ PHE 568 HZ PHE 568 56.081 5.183 3.257 223 H HIS 569 HN HIS 569 56.028 4.562 -4.528 224 HA HIS 569 HA HIS 569 55.638 2.656 -6.618 225 HB2 HIS 569 HB2 HIS 569 57.365 5.120 -6.357 226 HB3 HIS 569 HB1 HIS 569 57.510 4.089 -7.776 227 HD2 HIS 569 HD2 HIS 569 54.739 3.679 -9.013 228 HE1 HIS 569 HE1 HIS 569 53.619 7.588 -7.871 229 HE2 HIS 569 HE2 HIS 569 53.027 5.610 -9.360 230 HA PRO 570 HA PRO 570 58.814 -0.287 -5.588 231 HB2 PRO 570 HB2 PRO 570 59.262 -0.519 -8.501 232 HB3 PRO 570 HB1 PRO 570 58.778 -1.753 -7.332 233 HG2 PRO 570 HG2 PRO 570 57.069 -0.632 -9.180 234 HG3 PRO 570 HG1 PRO 570 56.554 -1.380 -7.668 235 HD2 PRO 570 HD2 PRO 570 56.543 1.466 -8.417 236 HD3 PRO 570 HD1 PRO 570 55.699 0.650 -7.077 237 H GLU 571 HN GLU 571 59.327 2.627 -7.230 238 HA GLU 571 HA GLU 571 62.295 2.319 -7.108 239 HB2 GLU 571 HB2 GLU 571 62.434 4.027 -8.809 240 HB3 GLU 571 HB1 GLU 571 61.273 2.817 -9.358 241 HG2 GLU 571 HG2 GLU 571 59.601 4.451 -8.002 242 HG3 GLU 571 HG1 GLU 571 60.817 5.621 -8.501 243 H HIS 572 HN HIS 572 59.577 3.880 -5.705 244 HA HIS 572 HA HIS 572 61.269 6.082 -4.616 245 HB2 HIS 572 HB2 HIS 572 58.262 5.664 -4.562 246 HB3 HIS 572 HB1 HIS 572 59.093 7.015 -3.790 247 HD2 HIS 572 HD2 HIS 572 61.265 7.074 -6.559 248 HE1 HIS 572 HE1 HIS 572 57.795 8.616 -8.390 249 HE2 HIS 572 HE2 HIS 572 60.311 8.352 -8.609 250 H PHE 573 HN PHE 573 60.060 3.015 -3.812 251 HA PHE 573 HA PHE 573 59.878 3.441 -0.928 252 HB2 PHE 573 HB2 PHE 573 58.660 1.591 -2.114 253 HB3 PHE 573 HB1 PHE 573 60.217 0.856 -2.480 254 HD1 PHE 573 HD1 PHE 573 60.820 -0.896 -1.076 255 HD2 PHE 573 HD2 PHE 573 58.560 2.379 0.537 256 HE1 PHE 573 HE1 PHE 573 60.837 -1.982 1.153 257 HE2 PHE 573 HE2 PHE 573 58.575 1.293 2.765 258 HZ PHE 573 HZ PHE 573 59.713 -0.888 3.073 259 H VAL 574 HN VAL 574 61.915 4.443 -0.512 260 HA VAL 574 HA VAL 574 64.306 2.721 -0.969 261 HB VAL 574 HB VAL 574 65.627 4.767 -0.594 262 HG11 VAL 574 HG11 VAL 574 63.554 5.723 -2.502 263 HG12 VAL 574 HG12 VAL 574 64.235 4.129 -2.825 264 HG13 VAL 574 HG13 VAL 574 65.293 5.536 -2.729 265 HG21 VAL 574 HG21 VAL 574 62.895 6.039 -0.212 266 HG22 VAL 574 HG22 VAL 574 64.395 6.946 -0.412 267 HG23 VAL 574 HG23 VAL 574 64.172 5.910 0.998 268 H CYS 575 HN CYS 575 66.012 3.007 0.818 269 HA CYS 575 HA CYS 575 64.829 2.140 3.335 270 HB2 CYS 575 HB2 CYS 575 66.883 1.107 2.667 271 HB3 CYS 575 HB1 CYS 575 67.665 2.663 2.419 272 H ALA 576 HN ALA 576 64.408 3.406 5.097 273 HA ALA 576 HA ALA 576 64.740 6.286 4.936 274 HB1 ALA 576 HB1 ALA 576 63.905 4.448 7.198 275 HB2 ALA 576 HB2 ALA 576 62.855 5.421 6.167 276 HB3 ALA 576 HB3 ALA 576 63.920 6.207 7.331 277 H PHE 577 HN PHE 577 67.243 5.035 4.635 278 HA PHE 577 HA PHE 577 68.718 6.227 6.911 279 HB2 PHE 577 HB2 PHE 577 68.352 3.626 7.144 280 HB3 PHE 577 HB1 PHE 577 69.591 3.531 5.896 281 HD1 PHE 577 HD1 PHE 577 68.935 5.353 9.122 282 HD2 PHE 577 HD2 PHE 577 71.811 3.417 6.584 283 HE1 PHE 577 HE1 PHE 577 70.692 5.716 10.833 284 HE2 PHE 577 HE2 PHE 577 73.567 3.782 8.296 285 HZ PHE 577 HZ PHE 577 73.007 4.932 10.421 286 H CYS 578 HN CYS 578 69.321 4.230 4.018 287 HA CYS 578 HA CYS 578 71.428 6.156 3.179 288 HB2 CYS 578 HB2 CYS 578 71.812 4.326 1.394 289 HB3 CYS 578 HB1 CYS 578 72.228 3.926 3.059 290 H LEU 579 HN LEU 579 68.200 5.190 2.500 291 HA LEU 579 HA LEU 579 66.654 5.841 0.874 292 HB2 LEU 579 HB2 LEU 579 68.536 8.213 0.663 293 HB3 LEU 579 HB1 LEU 579 66.878 8.161 0.066 294 HG LEU 579 HG LEU 579 66.564 7.333 2.673 295 HD11 LEU 579 HD11 LEU 579 67.874 8.756 4.102 296 HD12 LEU 579 HD12 LEU 579 68.572 9.599 2.719 297 HD13 LEU 579 HD13 LEU 579 69.001 7.919 3.037 298 HD21 LEU 579 HD21 LEU 579 66.480 10.154 1.553 299 HD22 LEU 579 HD22 LEU 579 65.705 9.643 3.052 300 HD23 LEU 579 HD23 LEU 579 65.167 8.976 1.511 301 H LYS 580 HN LYS 580 69.251 4.387 0.042 302 HA LYS 580 HA LYS 580 69.807 5.290 -2.658 303 HB2 LYS 580 HB2 LYS 580 71.015 3.149 -2.886 304 HB3 LYS 580 HB1 LYS 580 71.430 3.938 -1.366 305 HG2 LYS 580 HG2 LYS 580 69.513 2.509 -0.345 306 HG3 LYS 580 HG1 LYS 580 69.651 1.544 -1.814 307 HD2 LYS 580 HD2 LYS 580 72.296 1.947 -0.898 308 HD3 LYS 580 HD1 LYS 580 71.342 1.532 0.525 309 HE2 LYS 580 HE2 LYS 580 72.159 -0.523 -0.481 310 HE3 LYS 580 HE1 LYS 580 70.415 -0.428 -0.727 311 HZ1 LYS 580 HZ1 LYS 580 71.905 0.844 -2.818 312 HZ2 LYS 580 HZ2 LYS 580 70.671 -0.320 -2.920 313 HZ3 LYS 580 HZ3 LYS 580 72.280 -0.804 -2.671 314 H GLN 581 HN GLN 581 68.007 2.491 -1.368 315 HA GLN 581 HA GLN 581 65.796 2.712 -3.125 316 HB2 GLN 581 HB2 GLN 581 68.047 1.762 -4.488 317 HB3 GLN 581 HB1 GLN 581 67.154 0.302 -4.078 318 HG2 GLN 581 HG2 GLN 581 65.312 2.329 -4.978 319 HG3 GLN 581 HG1 GLN 581 66.597 2.134 -6.169 320 HE21 GLN 581 HE21 GLN 581 63.926 0.487 -4.551 321 HE22 GLN 581 HE22 GLN 581 63.908 -0.870 -5.569 322 H LEU 582 HN LEU 582 64.363 0.766 -2.852 323 HA LEU 582 HA LEU 582 65.251 -1.271 -0.956 324 HB2 LEU 582 HB2 LEU 582 64.574 0.979 0.282 325 HB3 LEU 582 HB1 LEU 582 62.944 0.355 0.040 326 HG LEU 582 HG LEU 582 63.744 -1.820 1.049 327 HD11 LEU 582 HD11 LEU 582 65.846 -0.912 2.639 328 HD12 LEU 582 HD12 LEU 582 66.233 -0.309 1.030 329 HD13 LEU 582 HD13 LEU 582 65.975 -2.034 1.286 330 HD21 LEU 582 HD21 LEU 582 64.006 -0.596 3.418 331 HD22 LEU 582 HD22 LEU 582 62.462 -0.651 2.568 332 HD23 LEU 582 HD23 LEU 582 63.474 0.789 2.466 333 H ASN 583 HN ASN 583 63.524 -2.844 -0.483 334 HA ASN 583 HA ASN 583 61.080 -2.729 -2.109 335 HB2 ASN 583 HB2 ASN 583 62.653 -3.568 -3.769 336 HB3 ASN 583 HB1 ASN 583 63.266 -4.769 -2.633 337 HD21 ASN 583 HD21 ASN 583 62.533 -6.745 -3.487 338 HD22 ASN 583 HD22 ASN 583 60.917 -7.073 -3.889 339 H LYS 584 HN LYS 584 59.495 -3.760 -0.988 340 HA LYS 584 HA LYS 584 59.798 -4.797 1.600 341 HB2 LYS 584 HB2 LYS 584 57.595 -4.264 0.952 342 HB3 LYS 584 HB1 LYS 584 57.716 -5.187 -0.541 343 HG2 LYS 584 HG2 LYS 584 56.299 -6.401 1.019 344 HG3 LYS 584 HG1 LYS 584 57.804 -7.290 0.811 345 HD2 LYS 584 HD2 LYS 584 57.440 -7.285 3.154 346 HD3 LYS 584 HD1 LYS 584 58.638 -6.020 2.894 347 HE2 LYS 584 HE2 LYS 584 56.925 -5.167 4.396 348 HE3 LYS 584 HE1 LYS 584 56.775 -4.340 2.847 349 HZ1 LYS 584 HZ1 LYS 584 54.662 -4.986 2.899 350 HZ2 LYS 584 HZ2 LYS 584 54.929 -6.083 4.170 351 HZ3 LYS 584 HZ3 LYS 584 55.218 -6.554 2.564 352 H GLY 585 HN GLY 585 60.312 -6.353 -1.473 353 HA2 GLY 585 HA2 GLY 585 60.092 -9.068 -0.860 354 HA3 GLY 585 HA1 GLY 585 61.273 -8.423 -1.991 355 H THR 586 HN THR 586 62.752 -6.865 0.007 356 HA THR 586 HA THR 586 63.685 -8.915 1.935 357 HB THR 586 HB THR 586 66.048 -8.684 1.150 358 HG1 THR 586 HG1 THR 586 64.811 -7.413 -1.062 359 HG21 THR 586 HG21 THR 586 64.540 -10.564 0.416 360 HG22 THR 586 HG22 THR 586 65.832 -10.192 -0.724 361 HG23 THR 586 HG23 THR 586 64.189 -9.638 -1.044 362 H PHE 587 HN PHE 587 62.461 -6.255 2.263 363 HA PHE 587 HA PHE 587 64.763 -4.659 3.264 364 HB2 PHE 587 HB2 PHE 587 63.465 -2.790 3.059 365 HB3 PHE 587 HB1 PHE 587 62.546 -3.789 1.951 366 HD1 PHE 587 HD1 PHE 587 60.934 -5.548 3.457 367 HD2 PHE 587 HD2 PHE 587 62.103 -1.540 4.470 368 HE1 PHE 587 HE1 PHE 587 58.956 -5.342 4.936 369 HE2 PHE 587 HE2 PHE 587 60.120 -1.335 5.944 370 HZ PHE 587 HZ PHE 587 58.548 -3.237 6.178 371 H LYS 588 HN LYS 588 64.046 -3.439 5.378 372 HA LYS 588 HA LYS 588 62.708 -5.243 7.311 373 HB2 LYS 588 HB2 LYS 588 65.567 -4.270 7.440 374 HB3 LYS 588 HB1 LYS 588 64.671 -4.614 8.917 375 HG2 LYS 588 HG2 LYS 588 64.931 -6.614 6.656 376 HG3 LYS 588 HG1 LYS 588 66.067 -6.537 8.001 377 HD2 LYS 588 HD2 LYS 588 64.664 -7.828 9.194 378 HD3 LYS 588 HD1 LYS 588 63.508 -6.497 9.185 379 HE2 LYS 588 HE2 LYS 588 62.470 -7.313 7.171 380 HE3 LYS 588 HE1 LYS 588 63.737 -8.518 6.940 381 HZ1 LYS 588 HZ1 LYS 588 61.602 -9.333 7.957 382 HZ2 LYS 588 HZ2 LYS 588 62.016 -8.453 9.349 383 HZ3 LYS 588 HZ3 LYS 588 63.016 -9.716 8.811 384 H GLU 589 HN GLU 589 62.362 -3.906 9.428 385 HA GLU 589 HA GLU 589 62.352 -0.996 8.847 386 HB2 GLU 589 HB2 GLU 589 60.077 -0.702 9.143 387 HB3 GLU 589 HB1 GLU 589 60.090 -2.281 8.359 388 HG2 GLU 589 HG2 GLU 589 60.217 -3.233 10.775 389 HG3 GLU 589 HG1 GLU 589 59.686 -1.628 11.275 390 H GLN 590 HN GLN 590 62.336 0.323 10.680 391 HA GLN 590 HA GLN 590 62.352 -0.876 13.364 392 HB2 GLN 590 HB2 GLN 590 64.721 -1.063 12.383 393 HB3 GLN 590 HB1 GLN 590 64.760 0.697 12.419 394 HG2 GLN 590 HG2 GLN 590 65.751 0.005 14.468 395 HG3 GLN 590 HG1 GLN 590 64.122 0.524 14.891 396 HE21 GLN 590 HE21 GLN 590 65.028 -2.561 13.314 397 HE22 GLN 590 HE22 GLN 590 64.473 -3.551 14.576 398 H ASN 591 HN ASN 591 61.966 0.748 14.956 399 HA ASN 591 HA ASN 591 61.065 2.774 15.714 400 HB2 ASN 591 HB2 ASN 591 63.078 3.699 13.658 401 HB3 ASN 591 HB1 ASN 591 62.154 4.829 14.641 402 HD21 ASN 591 HD21 ASN 591 65.048 3.140 14.571 403 HD22 ASN 591 HD22 ASN 591 65.394 3.131 16.233 404 H ASP 592 HN ASP 592 59.896 1.380 13.208 405 HA ASP 592 HA ASP 592 57.882 1.763 12.043 406 HB2 ASP 592 HB2 ASP 592 57.677 3.646 13.952 407 HB3 ASP 592 HB1 ASP 592 57.883 4.697 12.548 408 H LYS 593 HN LYS 593 60.637 2.123 10.930 409 HA LYS 593 HA LYS 593 59.771 3.551 8.484 410 HB2 LYS 593 HB2 LYS 593 62.491 4.251 8.758 411 HB3 LYS 593 HB1 LYS 593 61.099 5.324 8.835 412 HG2 LYS 593 HG2 LYS 593 60.922 4.661 11.311 413 HG3 LYS 593 HG1 LYS 593 62.538 3.981 11.121 414 HD2 LYS 593 HD2 LYS 593 63.347 6.183 10.305 415 HD3 LYS 593 HD1 LYS 593 61.739 6.854 10.575 416 HE2 LYS 593 HE2 LYS 593 61.918 6.225 12.981 417 HE3 LYS 593 HE1 LYS 593 63.566 5.667 12.685 418 HZ1 LYS 593 HZ1 LYS 593 63.849 7.831 13.413 419 HZ2 LYS 593 HZ2 LYS 593 62.494 8.413 12.569 420 HZ3 LYS 593 HZ3 LYS 593 63.911 8.001 11.726 421 HA PRO 594 HA PRO 594 61.678 0.113 6.503 422 HB2 PRO 594 HB2 PRO 594 62.557 1.305 4.191 423 HB3 PRO 594 HB1 PRO 594 60.875 0.876 4.517 424 HG2 PRO 594 HG2 PRO 594 62.198 3.542 4.615 425 HG3 PRO 594 HG1 PRO 594 60.546 3.125 4.155 426 HD2 PRO 594 HD2 PRO 594 61.251 4.230 6.604 427 HD3 PRO 594 HD1 PRO 594 59.777 3.267 6.329 428 H TYR 595 HN TYR 595 63.639 -0.846 5.954 429 HA TYR 595 HA TYR 595 66.153 0.638 5.878 430 HB2 TYR 595 HB2 TYR 595 65.447 -1.144 8.236 431 HB3 TYR 595 HB1 TYR 595 67.099 -0.692 7.831 432 HD1 TYR 595 HD1 TYR 595 67.621 1.837 7.626 433 HD2 TYR 595 HD2 TYR 595 64.119 0.276 9.554 434 HE1 TYR 595 HE1 TYR 595 67.324 3.986 8.831 435 HE2 TYR 595 HE2 TYR 595 63.826 2.422 10.755 436 HH TYR 595 HH TYR 595 65.472 5.249 9.899 437 H CYS 596 HN CYS 596 67.349 -0.524 4.375 438 HA CYS 596 HA CYS 596 66.508 -2.970 3.258 439 HB2 CYS 596 HB2 CYS 596 69.451 -2.552 3.423 440 HB3 CYS 596 HB1 CYS 596 68.449 -2.925 2.024 441 H GLN 597 HN GLN 597 67.001 -5.135 3.725 442 HA GLN 597 HA GLN 597 67.250 -5.933 6.401 443 HB2 GLN 597 HB2 GLN 597 66.670 -7.774 5.178 444 HB3 GLN 597 HB1 GLN 597 67.522 -7.188 3.755 445 HG2 GLN 597 HG2 GLN 597 68.555 -9.262 4.557 446 HG3 GLN 597 HG1 GLN 597 69.673 -7.916 4.752 447 HE21 GLN 597 HE21 GLN 597 67.076 -7.842 7.028 448 HE22 GLN 597 HE22 GLN 597 67.925 -8.484 8.349 449 H ASN 598 HN ASN 598 69.750 -5.253 4.008 450 HA ASN 598 HA ASN 598 71.996 -6.069 5.613 451 HB2 ASN 598 HB2 ASN 598 72.215 -5.716 3.190 452 HB3 ASN 598 HB1 ASN 598 71.807 -4.012 3.386 453 HD21 ASN 598 HD21 ASN 598 74.261 -6.445 4.385 454 HD22 ASN 598 HD22 ASN 598 75.522 -5.323 4.561 455 H CYS 599 HN CYS 599 70.198 -3.044 5.227 456 HA CYS 599 HA CYS 599 71.900 -1.460 6.948 457 HB2 CYS 599 HB2 CYS 599 69.122 -1.173 5.836 458 HB3 CYS 599 HB1 CYS 599 69.607 -0.135 7.172 459 H PHE 600 HN PHE 600 68.641 -2.865 7.503 460 HA PHE 600 HA PHE 600 68.454 -2.489 10.283 461 HB2 PHE 600 HB2 PHE 600 66.577 -3.411 9.107 462 HB3 PHE 600 HB1 PHE 600 67.532 -4.751 8.486 463 HD1 PHE 600 HD1 PHE 600 68.267 -6.586 10.006 464 HD2 PHE 600 HD2 PHE 600 65.617 -3.469 11.320 465 HE1 PHE 600 HE1 PHE 600 67.615 -7.964 11.960 466 HE2 PHE 600 HE2 PHE 600 64.967 -4.850 13.274 467 HZ PHE 600 HZ PHE 600 65.965 -7.095 13.595 468 H LEU 601 HN LEU 601 70.000 -5.114 8.482 469 HA LEU 601 HA LEU 601 70.964 -6.636 10.691 470 HB2 LEU 601 HB2 LEU 601 70.961 -7.483 8.396 471 HB3 LEU 601 HB1 LEU 601 72.074 -6.216 7.899 472 HG LEU 601 HG LEU 601 73.679 -7.182 9.677 473 HD11 LEU 601 HD11 LEU 601 71.732 -9.488 9.354 474 HD12 LEU 601 HD12 LEU 601 72.020 -8.579 10.837 475 HD13 LEU 601 HD13 LEU 601 73.298 -9.587 10.160 476 HD21 LEU 601 HD21 LEU 601 72.875 -8.521 7.097 477 HD22 LEU 601 HD22 LEU 601 74.238 -9.124 8.043 478 HD23 LEU 601 HD23 LEU 601 74.261 -7.477 7.410 479 H LYS 602 HN LYS 602 71.985 -3.672 9.213 480 HA LYS 602 HA LYS 602 74.593 -3.593 10.585 481 HB2 LYS 602 HB2 LYS 602 73.643 -2.519 8.229 482 HB3 LYS 602 HB1 LYS 602 73.575 -1.136 9.313 483 HG2 LYS 602 HG2 LYS 602 75.748 -1.060 8.390 484 HG3 LYS 602 HG1 LYS 602 75.970 -1.759 9.994 485 HD2 LYS 602 HD2 LYS 602 77.239 -3.156 8.547 486 HD3 LYS 602 HD1 LYS 602 75.751 -4.052 8.844 487 HE2 LYS 602 HE2 LYS 602 74.902 -3.611 6.709 488 HE3 LYS 602 HE1 LYS 602 75.919 -2.187 6.490 489 HZ1 LYS 602 HZ1 LYS 602 76.764 -5.030 6.445 490 HZ2 LYS 602 HZ2 LYS 602 77.857 -3.730 6.491 491 HZ3 LYS 602 HZ3 LYS 602 76.812 -3.919 5.164 492 H LEU 603 HN LEU 603 71.406 -2.035 10.769 493 HA LEU 603 HA LEU 603 72.250 -0.282 12.965 494 HB2 LEU 603 HB2 LEU 603 69.375 -0.746 12.226 495 HB3 LEU 603 HB1 LEU 603 70.152 0.728 12.782 496 HG LEU 603 HG LEU 603 70.418 -0.543 10.053 497 HD11 LEU 603 HD11 LEU 603 69.306 2.116 10.983 498 HD12 LEU 603 HD12 LEU 603 68.359 0.743 10.406 499 HD13 LEU 603 HD13 LEU 603 69.436 1.598 9.302 500 HD21 LEU 603 HD21 LEU 603 71.809 1.523 9.560 501 HD22 LEU 603 HD22 LEU 603 72.592 0.336 10.602 502 HD23 LEU 603 HD23 LEU 603 71.886 1.793 11.302 503 H PHE 604 HN PHE 604 69.805 -2.859 12.615 504 HA PHE 604 HA PHE 604 69.393 -3.095 15.464 505 HB2 PHE 604 HB2 PHE 604 67.848 -3.785 13.462 506 HB3 PHE 604 HB1 PHE 604 68.750 -5.299 13.525 507 HD1 PHE 604 HD1 PHE 604 68.262 -6.934 15.164 508 HD2 PHE 604 HD2 PHE 604 66.758 -2.936 15.625 509 HE1 PHE 604 HE1 PHE 604 66.888 -7.672 17.092 510 HE2 PHE 604 HE2 PHE 604 65.385 -3.675 17.552 511 HZ PHE 604 HZ PHE 604 65.450 -6.043 18.286 512 H CYS 605 HN CYS 605 71.732 -4.396 13.270 513 HA CYS 605 HA CYS 605 72.893 -5.959 15.515 514 HB2 CYS 605 HB2 CYS 605 71.407 -7.375 13.869 515 HB3 CYS 605 HB1 CYS 605 72.797 -7.234 12.793 516 HG CYS 605 HG CYS 605 74.212 -8.226 14.932 Start of MODEL 5 1 H TYR 541 HT1 TYR 541 34.308 7.558 -13.543 2 HA TYR 541 HA TYR 541 34.818 5.801 -15.063 3 HB2 TYR 541 HB2 TYR 541 36.637 8.217 -15.169 4 HB3 TYR 541 HB1 TYR 541 36.557 7.042 -16.481 5 HD1 TYR 541 HD1 TYR 541 34.590 6.851 -17.891 6 HD2 TYR 541 HD2 TYR 541 34.673 9.600 -14.591 7 HE1 TYR 541 HE1 TYR 541 32.541 7.949 -18.753 8 HE2 TYR 541 HE2 TYR 541 32.624 10.697 -15.454 9 HH TYR 541 HH TYR 541 31.532 10.438 -18.466 10 H HIS 542 HN HIS 542 35.765 3.852 -14.720 11 HA HIS 542 HA HIS 542 37.409 2.234 -14.374 12 HB2 HIS 542 HB2 HIS 542 38.497 3.536 -16.236 13 HB3 HIS 542 HB1 HIS 542 39.359 4.461 -15.013 14 HD1 HIS 542 HD1 HIS 542 40.328 2.432 -13.060 15 HD2 HIS 542 HD2 HIS 542 40.274 1.645 -17.154 16 HE1 HIS 542 HE1 HIS 542 41.994 0.567 -13.454 17 H GLU 543 HN GLU 543 39.466 4.899 -13.304 18 HA GLU 543 HA GLU 543 40.383 5.404 -11.213 19 HB2 GLU 543 HB2 GLU 543 37.933 3.977 -10.128 20 HB3 GLU 543 HB1 GLU 543 38.988 5.066 -9.232 21 HG2 GLU 543 HG2 GLU 543 37.890 6.872 -10.007 22 HG3 GLU 543 HG1 GLU 543 38.086 6.336 -11.675 23 H ARG 544 HN ARG 544 41.450 4.355 -9.337 24 HA ARG 544 HA ARG 544 42.865 2.670 -8.526 25 HB2 ARG 544 HB2 ARG 544 40.205 1.414 -8.945 26 HB3 ARG 544 HB1 ARG 544 41.559 0.306 -8.726 27 HG2 ARG 544 HG2 ARG 544 41.227 2.650 -6.872 28 HG3 ARG 544 HG1 ARG 544 40.283 1.185 -6.619 29 HD2 ARG 544 HD2 ARG 544 42.851 0.228 -7.079 30 HD3 ARG 544 HD1 ARG 544 43.125 1.673 -6.113 31 HE ARG 544 HE ARG 544 42.274 -0.782 -5.060 32 HH11 ARG 544 HH11 ARG 544 41.043 -1.020 -3.203 33 HH12 ARG 544 HH12 ARG 544 40.116 0.317 -2.610 34 HH21 ARG 544 HH21 ARG 544 41.104 2.476 -5.123 35 HH22 ARG 544 HH22 ARG 544 40.149 2.285 -3.694 36 H ARG 545 HN ARG 545 44.265 3.041 -10.451 37 HA ARG 545 HA ARG 545 44.003 1.207 -12.719 38 HB2 ARG 545 HB2 ARG 545 46.396 2.918 -12.004 39 HB3 ARG 545 HB1 ARG 545 45.968 2.277 -13.589 40 HG2 ARG 545 HG2 ARG 545 43.769 3.626 -13.313 41 HG3 ARG 545 HG1 ARG 545 44.629 4.488 -12.036 42 HD2 ARG 545 HD2 ARG 545 46.409 5.092 -13.617 43 HD3 ARG 545 HD1 ARG 545 45.594 4.192 -14.897 44 HE ARG 545 HE ARG 545 43.678 5.998 -14.017 45 HH11 ARG 545 HH11 ARG 545 43.430 8.048 -14.920 46 HH12 ARG 545 HH12 ARG 545 44.772 8.801 -15.713 47 HH21 ARG 545 HH21 ARG 545 46.938 6.160 -15.144 48 HH22 ARG 545 HH22 ARG 545 46.755 7.735 -15.839 49 H GLY 546 HN GLY 546 45.707 1.286 -9.664 50 HA2 GLY 546 HA2 GLY 546 46.358 -1.497 -9.785 51 HA3 GLY 546 HA1 GLY 546 47.790 -0.547 -10.184 52 H SER 547 HN SER 547 48.961 -0.927 -8.318 53 HA SER 547 HA SER 547 47.718 -0.457 -5.674 54 HB2 SER 547 HB2 SER 547 49.974 -1.939 -6.715 55 HB3 SER 547 HB1 SER 547 50.486 -0.903 -5.387 56 HG SER 547 HG SER 547 48.654 -1.788 -4.215 57 H LEU 548 HN LEU 548 47.885 1.502 -4.660 58 HA LEU 548 HA LEU 548 49.324 3.684 -5.904 59 HB2 LEU 548 HB2 LEU 548 47.723 3.349 -3.391 60 HB3 LEU 548 HB1 LEU 548 48.753 4.764 -3.560 61 HG LEU 548 HG LEU 548 47.641 5.398 -5.628 62 HD11 LEU 548 HD11 LEU 548 46.218 2.759 -5.261 63 HD12 LEU 548 HD12 LEU 548 47.133 3.322 -6.660 64 HD13 LEU 548 HD13 LEU 548 45.566 4.038 -6.285 65 HD21 LEU 548 HD21 LEU 548 45.423 5.912 -4.744 66 HD22 LEU 548 HD22 LEU 548 46.610 6.062 -3.449 67 HD23 LEU 548 HD23 LEU 548 45.577 4.635 -3.538 68 H CYS 549 HN CYS 549 51.304 4.535 -5.360 69 HA CYS 549 HA CYS 549 53.098 2.885 -3.743 70 HB2 CYS 549 HB2 CYS 549 54.339 3.783 -5.457 71 HB3 CYS 549 HB1 CYS 549 53.338 5.226 -5.565 72 H SER 550 HN SER 550 52.917 3.077 -1.552 73 HA SER 550 HA SER 550 51.651 5.167 -0.178 74 HB2 SER 550 HB2 SER 550 54.004 3.542 0.825 75 HB3 SER 550 HB1 SER 550 52.866 4.436 1.826 76 HG SER 550 HG SER 550 52.524 2.078 0.347 77 H GLY 551 HN GLY 551 52.142 7.244 -0.370 78 HA2 GLY 551 HA2 GLY 551 53.842 8.990 0.375 79 HA3 GLY 551 HA1 GLY 551 55.012 8.067 -0.580 80 H CYS 552 HN CYS 552 53.018 7.397 -2.630 81 HA CYS 552 HA CYS 552 52.961 10.022 -4.064 82 HB2 CYS 552 HB2 CYS 552 53.338 7.181 -4.897 83 HB3 CYS 552 HB1 CYS 552 52.487 8.244 -6.016 84 H GLN 553 HN GLN 553 51.028 7.318 -2.951 85 HA GLN 553 HA GLN 553 48.717 6.959 -2.938 86 HB2 GLN 553 HB2 GLN 553 48.761 9.974 -3.294 87 HB3 GLN 553 HB1 GLN 553 47.292 9.043 -3.006 88 HG2 GLN 553 HG2 GLN 553 47.962 9.760 -0.851 89 HG3 GLN 553 HG1 GLN 553 48.508 8.089 -0.944 90 HE21 GLN 553 HE21 GLN 553 50.459 8.086 0.214 91 HE22 GLN 553 HE22 GLN 553 51.745 9.157 -0.070 92 H LYS 554 HN LYS 554 50.288 6.862 -5.432 93 HA LYS 554 HA LYS 554 48.020 7.089 -7.352 94 HB2 LYS 554 HB2 LYS 554 50.904 7.921 -7.820 95 HB3 LYS 554 HB1 LYS 554 49.710 7.745 -9.105 96 HG2 LYS 554 HG2 LYS 554 49.376 9.583 -6.717 97 HG3 LYS 554 HG1 LYS 554 49.960 10.108 -8.294 98 HD2 LYS 554 HD2 LYS 554 47.804 9.073 -9.247 99 HD3 LYS 554 HD1 LYS 554 47.232 9.025 -7.580 100 HE2 LYS 554 HE2 LYS 554 48.275 11.544 -8.900 101 HE3 LYS 554 HE1 LYS 554 46.568 11.105 -8.866 102 HZ1 LYS 554 HZ1 LYS 554 48.250 11.333 -6.434 103 HZ2 LYS 554 HZ2 LYS 554 46.561 11.161 -6.509 104 HZ3 LYS 554 HZ3 LYS 554 47.296 12.601 -7.032 105 HA PRO 555 HA PRO 555 48.743 2.799 -8.037 106 HB2 PRO 555 HB2 PRO 555 48.647 3.362 -10.926 107 HB3 PRO 555 HB1 PRO 555 47.625 2.308 -9.942 108 HG2 PRO 555 HG2 PRO 555 46.885 4.803 -10.938 109 HG3 PRO 555 HG1 PRO 555 46.073 3.948 -9.624 110 HD2 PRO 555 HD2 PRO 555 47.659 6.387 -9.485 111 HD3 PRO 555 HD1 PRO 555 46.724 5.598 -8.189 112 H ILE 556 HN ILE 556 50.332 1.355 -8.755 113 HA ILE 556 HA ILE 556 52.895 2.632 -9.584 114 HB ILE 556 HB ILE 556 52.266 0.084 -8.067 115 HG12 ILE 556 HG12 ILE 556 53.982 2.380 -7.134 116 HG13 ILE 556 HG11 ILE 556 52.229 2.494 -7.019 117 HG21 ILE 556 HG21 ILE 556 54.818 0.011 -7.827 118 HG22 ILE 556 HG22 ILE 556 54.878 1.163 -9.160 119 HG23 ILE 556 HG23 ILE 556 54.178 -0.435 -9.408 120 HD11 ILE 556 HD11 ILE 556 52.428 1.394 -5.055 121 HD12 ILE 556 HD12 ILE 556 54.096 0.937 -5.394 122 HD13 ILE 556 HD13 ILE 556 52.770 -0.043 -6.019 123 H THR 557 HN THR 557 52.700 2.532 -11.832 124 HA THR 557 HA THR 557 51.794 0.085 -13.158 125 HB THR 557 HB THR 557 52.427 1.357 -15.245 126 HG1 THR 557 HG1 THR 557 54.071 2.601 -14.179 127 HG21 THR 557 HG21 THR 557 50.171 1.588 -14.594 128 HG22 THR 557 HG22 THR 557 50.731 3.253 -14.755 129 HG23 THR 557 HG23 THR 557 50.588 2.521 -13.156 130 H GLY 558 HN GLY 558 53.177 -1.608 -12.982 131 HA2 GLY 558 HA2 GLY 558 55.183 -2.534 -14.236 132 HA3 GLY 558 HA1 GLY 558 56.071 -1.152 -13.587 133 H ARG 559 HN ARG 559 57.525 -2.446 -12.343 134 HA ARG 559 HA ARG 559 56.673 -4.518 -10.550 135 HB2 ARG 559 HB2 ARG 559 59.131 -2.806 -10.811 136 HB3 ARG 559 HB1 ARG 559 58.914 -3.772 -9.353 137 HG2 ARG 559 HG2 ARG 559 58.396 -5.182 -11.911 138 HG3 ARG 559 HG1 ARG 559 60.075 -4.729 -11.616 139 HD2 ARG 559 HD2 ARG 559 60.206 -6.011 -9.647 140 HD3 ARG 559 HD1 ARG 559 58.452 -6.082 -9.466 141 HE ARG 559 HE ARG 559 58.927 -7.392 -11.864 142 HH11 ARG 559 HH11 ARG 559 59.284 -9.612 -11.993 143 HH12 ARG 559 HH12 ARG 559 59.903 -10.461 -10.618 144 HH21 ARG 559 HH21 ARG 559 60.072 -7.641 -8.615 145 HH22 ARG 559 HH22 ARG 559 60.349 -9.348 -8.709 146 H CYS 560 HN CYS 560 56.720 -4.297 -8.117 147 HA CYS 560 HA CYS 560 56.268 -1.598 -7.055 148 HB2 CYS 560 HB2 CYS 560 53.994 -1.969 -6.330 149 HB3 CYS 560 HB1 CYS 560 54.063 -2.279 -8.064 150 HG CYS 560 HG CYS 560 53.357 -4.607 -7.629 151 H ILE 561 HN ILE 561 56.769 -1.511 -4.926 152 HA ILE 561 HA ILE 561 57.649 -4.026 -3.640 153 HB ILE 561 HB ILE 561 57.841 -1.320 -2.347 154 HG12 ILE 561 HG12 ILE 561 58.577 -0.982 -4.687 155 HG13 ILE 561 HG11 ILE 561 59.941 -0.899 -3.580 156 HG21 ILE 561 HG21 ILE 561 60.140 -2.450 -1.797 157 HG22 ILE 561 HG22 ILE 561 59.329 -3.930 -2.303 158 HG23 ILE 561 HG23 ILE 561 58.688 -2.990 -0.953 159 HD11 ILE 561 HD11 ILE 561 59.192 -3.117 -5.475 160 HD12 ILE 561 HD12 ILE 561 60.224 -3.435 -4.081 161 HD13 ILE 561 HD13 ILE 561 60.735 -2.281 -5.311 162 H THR 562 HN THR 562 56.822 -4.708 -1.609 163 HA THR 562 HA THR 562 54.316 -3.346 -0.712 164 HB THR 562 HB THR 562 54.791 -6.339 -0.893 165 HG1 THR 562 HG1 THR 562 54.316 -5.211 -2.872 166 HG21 THR 562 HG21 THR 562 52.596 -4.644 0.281 167 HG22 THR 562 HG22 THR 562 53.408 -6.042 0.983 168 HG23 THR 562 HG23 THR 562 52.249 -6.263 -0.327 169 H ALA 563 HN ALA 563 54.995 -2.449 1.176 170 HA ALA 563 HA ALA 563 56.847 -3.933 2.935 171 HB1 ALA 563 HB1 ALA 563 57.079 -1.457 2.489 172 HB2 ALA 563 HB2 ALA 563 56.999 -1.882 4.198 173 HB3 ALA 563 HB3 ALA 563 55.579 -1.220 3.386 174 H MET 564 HN MET 564 55.214 -2.223 5.089 175 HA MET 564 HA MET 564 53.778 -4.499 6.157 176 HB2 MET 564 HB2 MET 564 53.675 -1.567 6.922 177 HB3 MET 564 HB1 MET 564 53.038 -2.896 7.888 178 HG2 MET 564 HG2 MET 564 55.199 -3.771 8.316 179 HG3 MET 564 HG1 MET 564 55.929 -2.832 7.016 180 HE1 MET 564 HE1 MET 564 56.043 -0.622 6.783 181 HE2 MET 564 HE2 MET 564 57.414 -0.461 7.878 182 HE3 MET 564 HE3 MET 564 56.055 0.651 8.012 183 H ALA 565 HN ALA 565 52.696 -4.489 3.837 184 HA ALA 565 HA ALA 565 50.578 -4.518 2.800 185 HB1 ALA 565 HB1 ALA 565 49.805 -4.233 5.354 186 HB2 ALA 565 HB2 ALA 565 48.671 -4.047 4.018 187 HB3 ALA 565 HB3 ALA 565 49.379 -2.622 4.777 188 H LYS 566 HN LYS 566 52.469 -1.858 3.625 189 HA LYS 566 HA LYS 566 50.994 0.081 1.951 190 HB2 LYS 566 HB2 LYS 566 53.231 0.165 3.892 191 HB3 LYS 566 HB1 LYS 566 53.380 1.280 2.534 192 HG2 LYS 566 HG2 LYS 566 51.096 2.136 3.010 193 HG3 LYS 566 HG1 LYS 566 51.003 1.062 4.406 194 HD2 LYS 566 HD2 LYS 566 53.216 3.098 4.056 195 HD3 LYS 566 HD1 LYS 566 51.716 3.456 4.912 196 HE2 LYS 566 HE2 LYS 566 52.779 2.641 6.745 197 HE3 LYS 566 HE1 LYS 566 52.466 1.054 6.042 198 HZ1 LYS 566 HZ1 LYS 566 54.903 2.702 5.634 199 HZ2 LYS 566 HZ2 LYS 566 54.599 1.206 4.888 200 HZ3 LYS 566 HZ3 LYS 566 54.793 1.295 6.574 201 H LYS 567 HN LYS 567 51.515 0.457 -0.171 202 HA LYS 567 HA LYS 567 53.712 -1.151 -1.331 203 HB2 LYS 567 HB2 LYS 567 51.315 0.278 -2.454 204 HB3 LYS 567 HB1 LYS 567 52.649 -0.186 -3.511 205 HG2 LYS 567 HG2 LYS 567 50.867 -1.930 -3.395 206 HG3 LYS 567 HG1 LYS 567 52.432 -2.516 -2.832 207 HD2 LYS 567 HD2 LYS 567 51.785 -2.462 -0.569 208 HD3 LYS 567 HD1 LYS 567 50.452 -1.348 -0.884 209 HE2 LYS 567 HE2 LYS 567 49.078 -3.019 -1.759 210 HE3 LYS 567 HE1 LYS 567 50.440 -4.062 -2.164 211 HZ1 LYS 567 HZ1 LYS 567 50.602 -4.836 -0.052 212 HZ2 LYS 567 HZ2 LYS 567 48.937 -4.496 -0.063 213 HZ3 LYS 567 HZ3 LYS 567 50.026 -3.404 0.653 214 H PHE 568 HN PHE 568 54.962 -0.003 -3.136 215 HA PHE 568 HA PHE 568 55.362 2.899 -2.787 216 HB2 PHE 568 HB2 PHE 568 57.452 0.851 -1.975 217 HB3 PHE 568 HB1 PHE 568 57.839 2.531 -2.323 218 HD1 PHE 568 HD1 PHE 568 56.240 0.212 0.034 219 HD2 PHE 568 HD2 PHE 568 57.072 4.338 -0.833 220 HE1 PHE 568 HE1 PHE 568 55.659 0.819 2.366 221 HE2 PHE 568 HE2 PHE 568 56.487 4.944 1.500 222 HZ PHE 568 HZ PHE 568 55.781 3.185 3.099 223 H HIS 569 HN HIS 569 56.224 3.751 -4.703 224 HA HIS 569 HA HIS 569 56.413 2.109 -7.036 225 HB2 HIS 569 HB2 HIS 569 57.443 4.863 -6.346 226 HB3 HIS 569 HB1 HIS 569 57.909 4.105 -7.865 227 HD2 HIS 569 HD2 HIS 569 55.379 3.185 -9.338 228 HE1 HIS 569 HE1 HIS 569 53.270 6.524 -7.843 229 HE2 HIS 569 HE2 HIS 569 53.254 4.669 -9.586 230 HA PRO 570 HA PRO 570 60.169 -0.096 -6.119 231 HB2 PRO 570 HB2 PRO 570 60.789 0.217 -8.997 232 HB3 PRO 570 HB1 PRO 570 60.608 -1.254 -8.034 233 HG2 PRO 570 HG2 PRO 570 58.730 -0.375 -9.840 234 HG3 PRO 570 HG1 PRO 570 58.372 -1.414 -8.459 235 HD2 PRO 570 HD2 PRO 570 57.660 1.414 -8.878 236 HD3 PRO 570 HD1 PRO 570 56.997 0.246 -7.707 237 H GLU 571 HN GLU 571 60.040 3.063 -7.355 238 HA GLU 571 HA GLU 571 62.981 3.441 -6.976 239 HB2 GLU 571 HB2 GLU 571 62.734 5.460 -8.378 240 HB3 GLU 571 HB1 GLU 571 62.198 4.019 -9.241 241 HG2 GLU 571 HG2 GLU 571 59.874 4.526 -8.768 242 HG3 GLU 571 HG1 GLU 571 60.335 5.872 -7.732 243 H HIS 572 HN HIS 572 59.877 4.119 -5.680 244 HA HIS 572 HA HIS 572 60.896 6.500 -4.204 245 HB2 HIS 572 HB2 HIS 572 58.090 5.366 -4.454 246 HB3 HIS 572 HB1 HIS 572 58.515 6.773 -3.479 247 HD2 HIS 572 HD2 HIS 572 60.746 7.679 -6.061 248 HE1 HIS 572 HE1 HIS 572 57.087 8.567 -7.959 249 HE2 HIS 572 HE2 HIS 572 59.600 8.931 -8.027 250 H PHE 573 HN PHE 573 60.486 3.162 -3.863 251 HA PHE 573 HA PHE 573 59.975 3.126 -0.992 252 HB2 PHE 573 HB2 PHE 573 59.404 1.210 -2.512 253 HB3 PHE 573 HB1 PHE 573 61.126 0.956 -2.772 254 HD1 PHE 573 HD1 PHE 573 61.966 -0.842 -1.560 255 HD2 PHE 573 HD2 PHE 573 58.965 1.653 0.227 256 HE1 PHE 573 HE1 PHE 573 62.085 -2.188 0.518 257 HE2 PHE 573 HE2 PHE 573 59.082 0.308 2.305 258 HZ PHE 573 HZ PHE 573 60.641 -1.612 2.450 259 H VAL 574 HN VAL 574 61.626 4.557 -0.240 260 HA VAL 574 HA VAL 574 64.417 3.563 -0.574 261 HB VAL 574 HB VAL 574 65.111 5.821 0.154 262 HG11 VAL 574 HG11 VAL 574 64.866 6.657 -1.953 263 HG12 VAL 574 HG12 VAL 574 63.110 6.505 -1.915 264 HG13 VAL 574 HG13 VAL 574 64.108 5.100 -2.288 265 HG21 VAL 574 HG21 VAL 574 63.230 6.357 1.623 266 HG22 VAL 574 HG22 VAL 574 62.116 6.319 0.256 267 HG23 VAL 574 HG23 VAL 574 63.343 7.582 0.359 268 H CYS 575 HN CYS 575 65.814 4.029 1.430 269 HA CYS 575 HA CYS 575 64.662 2.604 3.686 270 HB2 CYS 575 HB2 CYS 575 66.982 2.242 3.194 271 HB3 CYS 575 HB1 CYS 575 67.323 3.968 3.218 272 H ALA 576 HN ALA 576 63.682 3.498 5.451 273 HA ALA 576 HA ALA 576 63.240 6.360 5.601 274 HB1 ALA 576 HB1 ALA 576 62.674 4.089 7.522 275 HB2 ALA 576 HB2 ALA 576 61.528 4.922 6.472 276 HB3 ALA 576 HB3 ALA 576 62.225 5.761 7.857 277 H PHE 577 HN PHE 577 66.027 5.776 5.582 278 HA PHE 577 HA PHE 577 66.827 7.052 8.141 279 HB2 PHE 577 HB2 PHE 577 67.176 4.450 8.095 280 HB3 PHE 577 HB1 PHE 577 68.511 4.824 7.008 281 HD1 PHE 577 HD1 PHE 577 70.560 5.702 7.834 282 HD2 PHE 577 HD2 PHE 577 67.115 5.531 10.395 283 HE1 PHE 577 HE1 PHE 577 71.975 6.305 9.779 284 HE2 PHE 577 HE2 PHE 577 68.530 6.135 12.338 285 HZ PHE 577 HZ PHE 577 70.960 6.522 12.031 286 H CYS 578 HN CYS 578 68.303 5.678 5.197 287 HA CYS 578 HA CYS 578 69.864 8.188 4.860 288 HB2 CYS 578 HB2 CYS 578 70.932 6.765 2.971 289 HB3 CYS 578 HB1 CYS 578 71.281 6.308 4.637 290 H LEU 579 HN LEU 579 67.127 6.515 3.642 291 HA LEU 579 HA LEU 579 65.649 6.946 1.886 292 HB2 LEU 579 HB2 LEU 579 66.841 9.724 2.155 293 HB3 LEU 579 HB1 LEU 579 65.339 9.330 1.319 294 HG LEU 579 HG LEU 579 64.954 8.131 3.768 295 HD11 LEU 579 HD11 LEU 579 67.089 9.283 4.523 296 HD12 LEU 579 HD12 LEU 579 65.663 9.637 5.496 297 HD13 LEU 579 HD13 LEU 579 66.242 10.816 4.318 298 HD21 LEU 579 HD21 LEU 579 63.312 9.494 2.565 299 HD22 LEU 579 HD22 LEU 579 64.246 10.953 2.897 300 HD23 LEU 579 HD23 LEU 579 63.468 10.084 4.220 301 H LYS 580 HN LYS 580 68.639 6.344 1.298 302 HA LYS 580 HA LYS 580 69.221 7.668 -1.206 303 HB2 LYS 580 HB2 LYS 580 70.946 5.920 -1.479 304 HB3 LYS 580 HB1 LYS 580 70.987 6.594 0.149 305 HG2 LYS 580 HG2 LYS 580 69.405 4.634 0.779 306 HG3 LYS 580 HG1 LYS 580 69.920 3.918 -0.747 307 HD2 LYS 580 HD2 LYS 580 72.287 4.807 0.498 308 HD3 LYS 580 HD1 LYS 580 71.336 4.046 1.773 309 HE2 LYS 580 HE2 LYS 580 72.702 2.341 0.709 310 HE3 LYS 580 HE1 LYS 580 71.015 2.060 0.279 311 HZ1 LYS 580 HZ1 LYS 580 72.301 3.843 -1.540 312 HZ2 LYS 580 HZ2 LYS 580 71.454 2.405 -1.856 313 HZ3 LYS 580 HZ3 LYS 580 73.106 2.352 -1.461 314 H GLN 581 HN GLN 581 68.084 4.361 -0.472 315 HA GLN 581 HA GLN 581 66.070 4.278 -2.459 316 HB2 GLN 581 HB2 GLN 581 68.610 4.124 -3.629 317 HB3 GLN 581 HB1 GLN 581 68.085 2.448 -3.522 318 HG2 GLN 581 HG2 GLN 581 65.890 4.116 -4.391 319 HG3 GLN 581 HG1 GLN 581 67.287 4.366 -5.436 320 HE21 GLN 581 HE21 GLN 581 64.913 2.000 -4.358 321 HE22 GLN 581 HE22 GLN 581 65.307 0.809 -5.500 322 H LEU 582 HN LEU 582 65.180 2.027 -2.610 323 HA LEU 582 HA LEU 582 66.389 0.003 -0.887 324 HB2 LEU 582 HB2 LEU 582 65.026 1.804 0.519 325 HB3 LEU 582 HB1 LEU 582 63.655 0.828 0.001 326 HG LEU 582 HG LEU 582 64.918 -1.196 0.837 327 HD11 LEU 582 HD11 LEU 582 66.541 0.009 2.775 328 HD12 LEU 582 HD12 LEU 582 66.912 0.865 1.282 329 HD13 LEU 582 HD13 LEU 582 67.086 -0.888 1.360 330 HD21 LEU 582 HD21 LEU 582 63.223 -0.603 2.295 331 HD22 LEU 582 HD22 LEU 582 63.855 1.026 2.526 332 HD23 LEU 582 HD23 LEU 582 64.615 -0.339 3.344 333 H ASN 583 HN ASN 583 65.098 -2.001 -0.851 334 HA ASN 583 HA ASN 583 62.858 -2.238 -2.733 335 HB2 ASN 583 HB2 ASN 583 64.743 -2.351 -4.284 336 HB3 ASN 583 HB1 ASN 583 65.536 -3.562 -3.276 337 HD21 ASN 583 HD21 ASN 583 65.345 -5.549 -4.324 338 HD22 ASN 583 HD22 ASN 583 63.928 -6.131 -5.057 339 H LYS 584 HN LYS 584 61.557 -3.906 -2.083 340 HA LYS 584 HA LYS 584 61.839 -5.205 0.388 341 HB2 LYS 584 HB2 LYS 584 59.687 -5.251 -0.595 342 HB3 LYS 584 HB1 LYS 584 60.306 -5.886 -2.116 343 HG2 LYS 584 HG2 LYS 584 59.148 -7.669 -0.935 344 HG3 LYS 584 HG1 LYS 584 60.873 -8.023 -0.949 345 HD2 LYS 584 HD2 LYS 584 60.077 -8.441 1.287 346 HD3 LYS 584 HD1 LYS 584 61.017 -6.951 1.341 347 HE2 LYS 584 HE2 LYS 584 59.161 -5.628 1.692 348 HE3 LYS 584 HE1 LYS 584 58.097 -6.700 0.783 349 HZ1 LYS 584 HZ1 LYS 584 57.597 -7.863 2.602 350 HZ2 LYS 584 HZ2 LYS 584 58.231 -6.553 3.478 351 HZ3 LYS 584 HZ3 LYS 584 59.202 -7.907 3.147 352 H GLY 585 HN GLY 585 63.191 -6.030 -2.715 353 HA2 GLY 585 HA2 GLY 585 63.783 -8.702 -2.630 354 HA3 GLY 585 HA1 GLY 585 64.946 -7.518 -3.210 355 H THR 586 HN THR 586 65.534 -6.201 -0.762 356 HA THR 586 HA THR 586 66.336 -8.295 1.158 357 HB THR 586 HB THR 586 68.774 -7.547 0.994 358 HG1 THR 586 HG1 THR 586 67.994 -6.707 -1.584 359 HG21 THR 586 HG21 THR 586 69.279 -9.149 -0.690 360 HG22 THR 586 HG22 THR 586 67.760 -8.854 -1.535 361 HG23 THR 586 HG23 THR 586 67.757 -9.689 0.019 362 H PHE 587 HN PHE 587 64.659 -5.941 1.431 363 HA PHE 587 HA PHE 587 66.376 -4.037 2.921 364 HB2 PHE 587 HB2 PHE 587 64.687 -2.496 2.726 365 HB3 PHE 587 HB1 PHE 587 64.225 -3.507 1.373 366 HD1 PHE 587 HD1 PHE 587 62.886 -1.832 4.037 367 HD2 PHE 587 HD2 PHE 587 62.876 -5.772 2.325 368 HE1 PHE 587 HE1 PHE 587 60.719 -2.307 5.142 369 HE2 PHE 587 HE2 PHE 587 60.710 -6.245 3.433 370 HZ PHE 587 HZ PHE 587 59.631 -4.513 4.841 371 H LYS 588 HN LYS 588 65.142 -3.239 4.997 372 HA LYS 588 HA LYS 588 64.055 -5.505 6.571 373 HB2 LYS 588 HB2 LYS 588 66.473 -3.819 7.269 374 HB3 LYS 588 HB1 LYS 588 65.565 -4.703 8.489 375 HG2 LYS 588 HG2 LYS 588 66.879 -5.942 6.050 376 HG3 LYS 588 HG1 LYS 588 67.535 -5.979 7.684 377 HD2 LYS 588 HD2 LYS 588 64.997 -7.287 6.692 378 HD3 LYS 588 HD1 LYS 588 66.428 -8.076 7.342 379 HE2 LYS 588 HE2 LYS 588 65.984 -6.808 9.513 380 HE3 LYS 588 HE1 LYS 588 64.413 -6.386 8.835 381 HZ1 LYS 588 HZ1 LYS 588 65.454 -9.138 9.234 382 HZ2 LYS 588 HZ2 LYS 588 63.950 -8.744 8.548 383 HZ3 LYS 588 HZ3 LYS 588 64.266 -8.379 10.177 384 H GLU 589 HN GLU 589 63.273 -4.456 8.802 385 HA GLU 589 HA GLU 589 62.577 -1.611 8.465 386 HB2 GLU 589 HB2 GLU 589 60.268 -1.850 8.358 387 HB3 GLU 589 HB1 GLU 589 60.799 -3.215 7.376 388 HG2 GLU 589 HG2 GLU 589 60.740 -4.570 9.581 389 HG3 GLU 589 HG1 GLU 589 59.791 -3.227 10.223 390 H GLN 590 HN GLN 590 61.782 -0.643 10.381 391 HA GLN 590 HA GLN 590 61.643 -2.182 12.870 392 HB2 GLN 590 HB2 GLN 590 64.118 -1.736 12.458 393 HB3 GLN 590 HB1 GLN 590 63.748 -0.020 12.581 394 HG2 GLN 590 HG2 GLN 590 64.445 -0.673 14.760 395 HG3 GLN 590 HG1 GLN 590 62.690 -0.545 14.848 396 HE21 GLN 590 HE21 GLN 590 64.573 -3.212 13.376 397 HE22 GLN 590 HE22 GLN 590 64.009 -4.409 14.440 398 H ASN 591 HN ASN 591 60.634 -0.907 14.525 399 HA ASN 591 HA ASN 591 59.142 0.735 15.276 400 HB2 ASN 591 HB2 ASN 591 61.197 2.345 13.760 401 HB3 ASN 591 HB1 ASN 591 59.847 3.118 14.585 402 HD21 ASN 591 HD21 ASN 591 63.024 2.144 15.045 403 HD22 ASN 591 HD22 ASN 591 63.025 2.032 16.739 404 H ASP 592 HN ASP 592 58.774 -0.538 12.472 405 HA ASP 592 HA ASP 592 56.962 -0.446 10.963 406 HB2 ASP 592 HB2 ASP 592 55.925 0.961 12.971 407 HB3 ASP 592 HB1 ASP 592 56.175 2.300 11.846 408 H LYS 593 HN LYS 593 59.636 0.559 10.382 409 HA LYS 593 HA LYS 593 58.909 2.216 8.052 410 HB2 LYS 593 HB2 LYS 593 61.306 3.393 8.937 411 HB3 LYS 593 HB1 LYS 593 59.707 4.127 8.923 412 HG2 LYS 593 HG2 LYS 593 59.426 2.819 11.209 413 HG3 LYS 593 HG1 LYS 593 61.184 2.859 11.199 414 HD2 LYS 593 HD2 LYS 593 60.486 4.820 12.372 415 HD3 LYS 593 HD1 LYS 593 61.007 5.361 10.777 416 HE2 LYS 593 HE2 LYS 593 58.783 6.314 11.634 417 HE3 LYS 593 HE1 LYS 593 58.764 5.617 10.015 418 HZ1 LYS 593 HZ1 LYS 593 58.168 3.871 12.293 419 HZ2 LYS 593 HZ2 LYS 593 57.581 3.811 10.699 420 HZ3 LYS 593 HZ3 LYS 593 56.973 4.965 11.789 421 HA PRO 594 HA PRO 594 61.793 -0.516 6.128 422 HB2 PRO 594 HB2 PRO 594 62.593 1.102 4.054 423 HB3 PRO 594 HB1 PRO 594 61.061 0.223 4.107 424 HG2 PRO 594 HG2 PRO 594 61.599 3.113 4.584 425 HG3 PRO 594 HG1 PRO 594 60.185 2.337 3.867 426 HD2 PRO 594 HD2 PRO 594 60.265 3.319 6.459 427 HD3 PRO 594 HD1 PRO 594 59.160 2.031 5.916 428 H TYR 595 HN TYR 595 63.994 -0.883 5.775 429 HA TYR 595 HA TYR 595 66.005 1.198 6.192 430 HB2 TYR 595 HB2 TYR 595 65.563 -1.009 8.236 431 HB3 TYR 595 HB1 TYR 595 67.047 -0.068 8.128 432 HD1 TYR 595 HD1 TYR 595 66.666 2.573 8.042 433 HD2 TYR 595 HD2 TYR 595 63.901 -0.266 9.687 434 HE1 TYR 595 HE1 TYR 595 65.622 4.372 9.395 435 HE2 TYR 595 HE2 TYR 595 62.861 1.531 11.038 436 HH TYR 595 HH TYR 595 63.665 4.889 10.561 437 H CYS 596 HN CYS 596 67.664 0.590 4.809 438 HA CYS 596 HA CYS 596 67.653 -1.799 3.318 439 HB2 CYS 596 HB2 CYS 596 70.320 -0.673 4.047 440 HB3 CYS 596 HB1 CYS 596 69.698 -1.141 2.468 441 H GLN 597 HN GLN 597 68.635 -3.819 3.635 442 HA GLN 597 HA GLN 597 68.683 -4.903 6.215 443 HB2 GLN 597 HB2 GLN 597 68.741 -6.596 4.662 444 HB3 GLN 597 HB1 GLN 597 69.741 -5.660 3.554 445 HG2 GLN 597 HG2 GLN 597 70.988 -7.600 4.400 446 HG3 GLN 597 HG1 GLN 597 71.719 -6.104 4.971 447 HE21 GLN 597 HE21 GLN 597 68.731 -6.841 6.552 448 HE22 GLN 597 HE22 GLN 597 69.394 -7.473 7.980 449 H ASN 598 HN ASN 598 71.250 -3.301 4.403 450 HA ASN 598 HA ASN 598 73.350 -3.794 6.314 451 HB2 ASN 598 HB2 ASN 598 74.654 -2.518 4.923 452 HB3 ASN 598 HB1 ASN 598 73.332 -2.805 3.798 453 HD21 ASN 598 HD21 ASN 598 74.322 -0.462 6.346 454 HD22 ASN 598 HD22 ASN 598 73.649 0.894 5.574 455 H CYS 599 HN CYS 599 70.955 -1.232 5.862 456 HA CYS 599 HA CYS 599 71.897 0.459 8.005 457 HB2 CYS 599 HB2 CYS 599 69.317 0.204 6.473 458 HB3 CYS 599 HB1 CYS 599 69.359 1.187 7.931 459 H PHE 600 HN PHE 600 69.047 -1.725 7.849 460 HA PHE 600 HA PHE 600 68.368 -1.760 10.578 461 HB2 PHE 600 HB2 PHE 600 66.999 -2.900 8.938 462 HB3 PHE 600 HB1 PHE 600 68.322 -3.973 8.500 463 HD1 PHE 600 HD1 PHE 600 69.137 -5.689 10.147 464 HD2 PHE 600 HD2 PHE 600 65.597 -3.349 10.828 465 HE1 PHE 600 HE1 PHE 600 68.394 -7.312 11.867 466 HE2 PHE 600 HE2 PHE 600 64.857 -4.975 12.548 467 HZ PHE 600 HZ PHE 600 66.254 -6.955 13.067 468 H LEU 601 HN LEU 601 70.746 -3.730 8.843 469 HA LEU 601 HA LEU 601 71.701 -5.270 11.041 470 HB2 LEU 601 HB2 LEU 601 72.252 -5.800 8.720 471 HB3 LEU 601 HB1 LEU 601 73.079 -4.261 8.533 472 HG LEU 601 HG LEU 601 74.609 -5.035 10.451 473 HD11 LEU 601 HD11 LEU 601 73.234 -6.873 11.276 474 HD12 LEU 601 HD12 LEU 601 74.749 -7.527 10.654 475 HD13 LEU 601 HD13 LEU 601 73.274 -7.653 9.695 476 HD21 LEU 601 HD21 LEU 601 76.010 -6.313 8.888 477 HD22 LEU 601 HD22 LEU 601 75.256 -4.950 8.057 478 HD23 LEU 601 HD23 LEU 601 74.615 -6.579 7.839 479 H LYS 602 HN LYS 602 72.163 -1.985 10.063 480 HA LYS 602 HA LYS 602 74.442 -1.503 11.875 481 HB2 LYS 602 HB2 LYS 602 73.643 -0.378 9.489 482 HB3 LYS 602 HB1 LYS 602 73.071 0.804 10.657 483 HG2 LYS 602 HG2 LYS 602 75.275 1.484 10.159 484 HG3 LYS 602 HG1 LYS 602 75.408 0.651 11.707 485 HD2 LYS 602 HD2 LYS 602 77.186 -0.237 10.412 486 HD3 LYS 602 HD1 LYS 602 75.924 -1.465 10.322 487 HE2 LYS 602 HE2 LYS 602 75.401 -0.964 8.112 488 HE3 LYS 602 HE1 LYS 602 75.985 0.695 8.241 489 HZ1 LYS 602 HZ1 LYS 602 77.611 -0.377 7.008 490 HZ2 LYS 602 HZ2 LYS 602 77.545 -1.793 7.943 491 HZ3 LYS 602 HZ3 LYS 602 78.258 -0.387 8.575 492 H LEU 603 HN LEU 603 70.983 -0.738 11.617 493 HA LEU 603 HA LEU 603 71.031 0.873 14.068 494 HB2 LEU 603 HB2 LEU 603 68.502 -0.117 12.784 495 HB3 LEU 603 HB1 LEU 603 68.806 1.408 13.600 496 HG LEU 603 HG LEU 603 69.793 0.588 10.864 497 HD11 LEU 603 HD11 LEU 603 67.966 2.822 11.784 498 HD12 LEU 603 HD12 LEU 603 67.443 1.336 10.989 499 HD13 LEU 603 HD13 LEU 603 68.442 2.500 10.116 500 HD21 LEU 603 HD21 LEU 603 70.712 2.951 10.814 501 HD22 LEU 603 HD22 LEU 603 71.576 1.850 11.886 502 HD23 LEU 603 HD23 LEU 603 70.436 3.018 12.555 503 H PHE 604 HN PHE 604 69.327 -2.102 13.074 504 HA PHE 604 HA PHE 604 68.563 -2.776 15.774 505 HB2 PHE 604 HB2 PHE 604 67.483 -3.532 13.552 506 HB3 PHE 604 HB1 PHE 604 68.759 -4.746 13.501 507 HD1 PHE 604 HD1 PHE 604 66.040 -3.397 15.684 508 HD2 PHE 604 HD2 PHE 604 68.579 -6.737 14.759 509 HE1 PHE 604 HE1 PHE 604 64.763 -4.808 17.274 510 HE2 PHE 604 HE2 PHE 604 67.302 -8.147 16.349 511 HZ PHE 604 HZ PHE 604 65.395 -7.183 17.606 512 H CYS 605 HN CYS 605 71.430 -3.284 13.897 513 HA CYS 605 HA CYS 605 72.581 -4.819 16.172 514 HB2 CYS 605 HB2 CYS 605 71.740 -6.294 14.162 515 HB3 CYS 605 HB1 CYS 605 73.204 -5.714 13.371 516 HG CYS 605 HG CYS 605 74.321 -6.622 15.817 Start of MODEL 6 1 H TYR 541 HT1 TYR 541 37.389 6.184 -18.192 2 HA TYR 541 HA TYR 541 34.616 6.276 -17.143 3 HB2 TYR 541 HB2 TYR 541 36.048 4.075 -18.649 4 HB3 TYR 541 HB1 TYR 541 34.319 4.224 -18.341 5 HD1 TYR 541 HD1 TYR 541 32.989 6.005 -19.485 6 HD2 TYR 541 HD2 TYR 541 37.106 5.253 -20.460 7 HE1 TYR 541 HE1 TYR 541 32.723 7.280 -21.595 8 HE2 TYR 541 HE2 TYR 541 36.838 6.528 -22.570 9 HH TYR 541 HH TYR 541 34.537 7.065 -24.112 10 H HIS 542 HN HIS 542 37.644 4.386 -17.124 11 HA HIS 542 HA HIS 542 37.344 3.962 -14.215 12 HB2 HIS 542 HB2 HIS 542 36.165 2.062 -15.464 13 HB3 HIS 542 HB1 HIS 542 37.757 1.599 -16.063 14 HD1 HIS 542 HD1 HIS 542 39.411 2.141 -13.487 15 HD2 HIS 542 HD2 HIS 542 35.790 0.075 -13.541 16 HE1 HIS 542 HE1 HIS 542 39.384 0.688 -11.414 17 H GLU 543 HN GLU 543 39.235 2.784 -16.999 18 HA GLU 543 HA GLU 543 41.556 2.608 -17.302 19 HB2 GLU 543 HB2 GLU 543 41.416 5.194 -15.716 20 HB3 GLU 543 HB1 GLU 543 42.828 4.640 -16.613 21 HG2 GLU 543 HG2 GLU 543 41.713 6.129 -18.094 22 HG3 GLU 543 HG1 GLU 543 41.285 4.517 -18.663 23 H ARG 544 HN ARG 544 40.371 1.325 -14.908 24 HA ARG 544 HA ARG 544 41.090 0.199 -12.988 25 HB2 ARG 544 HB2 ARG 544 43.760 0.818 -14.274 26 HB3 ARG 544 HB1 ARG 544 43.584 -0.193 -12.840 27 HG2 ARG 544 HG2 ARG 544 41.665 -1.104 -14.725 28 HG3 ARG 544 HG1 ARG 544 43.183 -0.911 -15.596 29 HD2 ARG 544 HD2 ARG 544 44.047 -2.094 -13.288 30 HD3 ARG 544 HD1 ARG 544 42.458 -2.831 -13.466 31 HE ARG 544 HE ARG 544 44.733 -3.616 -14.913 32 HH11 ARG 544 HH11 ARG 544 44.695 -4.544 -16.951 33 HH12 ARG 544 HH12 ARG 544 43.293 -4.364 -17.952 34 HH21 ARG 544 HH21 ARG 544 41.537 -2.498 -15.632 35 HH22 ARG 544 HH22 ARG 544 41.515 -3.207 -17.209 36 H ARG 545 HN ARG 545 42.898 0.558 -11.078 37 HA ARG 545 HA ARG 545 42.657 3.442 -10.311 38 HB2 ARG 545 HB2 ARG 545 42.923 1.164 -8.356 39 HB3 ARG 545 HB1 ARG 545 42.318 2.795 -8.068 40 HG2 ARG 545 HG2 ARG 545 40.454 2.213 -9.740 41 HG3 ARG 545 HG1 ARG 545 40.966 0.538 -9.545 42 HD2 ARG 545 HD2 ARG 545 40.705 0.838 -7.056 43 HD3 ARG 545 HD1 ARG 545 39.988 2.413 -7.374 44 HE ARG 545 HE ARG 545 38.627 -0.091 -7.476 45 HH11 ARG 545 HH11 ARG 545 36.775 -0.462 -8.678 46 HH12 ARG 545 HH12 ARG 545 36.315 0.661 -9.914 47 HH21 ARG 545 HH21 ARG 545 38.993 2.779 -9.370 48 HH22 ARG 545 HH22 ARG 545 37.570 2.483 -10.308 49 H GLY 546 HN GLY 546 44.532 0.654 -9.120 50 HA2 GLY 546 HA2 GLY 546 46.931 0.407 -9.405 51 HA3 GLY 546 HA1 GLY 546 47.032 2.134 -9.727 52 H SER 547 HN SER 547 48.485 0.508 -7.724 53 HA SER 547 HA SER 547 47.406 1.283 -5.110 54 HB2 SER 547 HB2 SER 547 49.483 -0.460 -6.138 55 HB3 SER 547 HB1 SER 547 50.103 0.534 -4.826 56 HG SER 547 HG SER 547 47.704 -0.993 -4.764 57 H LEU 548 HN LEU 548 47.806 3.233 -4.140 58 HA LEU 548 HA LEU 548 49.471 5.208 -5.450 59 HB2 LEU 548 HB2 LEU 548 47.860 5.119 -2.923 60 HB3 LEU 548 HB1 LEU 548 49.048 6.400 -3.127 61 HG LEU 548 HG LEU 548 48.005 7.120 -5.198 62 HD11 LEU 548 HD11 LEU 548 45.785 5.992 -5.827 63 HD12 LEU 548 HD12 LEU 548 46.302 4.661 -4.793 64 HD13 LEU 548 HD13 LEU 548 47.262 5.107 -6.204 65 HD21 LEU 548 HD21 LEU 548 45.881 6.630 -3.087 66 HD22 LEU 548 HD22 LEU 548 45.851 7.886 -4.325 67 HD23 LEU 548 HD23 LEU 548 47.059 7.942 -3.041 68 H CYS 549 HN CYS 549 51.540 5.843 -4.935 69 HA CYS 549 HA CYS 549 53.145 4.035 -3.287 70 HB2 CYS 549 HB2 CYS 549 54.462 4.748 -5.036 71 HB3 CYS 549 HB1 CYS 549 53.646 6.303 -5.153 72 H SER 550 HN SER 550 53.029 4.299 -1.102 73 HA SER 550 HA SER 550 52.014 6.552 0.228 74 HB2 SER 550 HB2 SER 550 54.178 4.692 1.250 75 HB3 SER 550 HB1 SER 550 53.165 5.737 2.239 76 HG SER 550 HG SER 550 52.489 3.439 0.754 77 H GLY 551 HN GLY 551 52.737 8.552 -0.039 78 HA2 GLY 551 HA2 GLY 551 54.646 10.101 0.659 79 HA3 GLY 551 HA1 GLY 551 55.680 9.033 -0.303 80 H CYS 552 HN CYS 552 53.610 8.562 -2.315 81 HA CYS 552 HA CYS 552 53.808 11.161 -3.781 82 HB2 CYS 552 HB2 CYS 552 53.802 8.281 -4.601 83 HB3 CYS 552 HB1 CYS 552 53.155 9.474 -5.725 84 H GLN 553 HN GLN 553 51.611 8.708 -2.587 85 HA GLN 553 HA GLN 553 49.275 8.596 -2.552 86 HB2 GLN 553 HB2 GLN 553 49.649 11.584 -2.949 87 HB3 GLN 553 HB1 GLN 553 48.085 10.828 -2.649 88 HG2 GLN 553 HG2 GLN 553 48.848 11.501 -0.505 89 HG3 GLN 553 HG1 GLN 553 49.175 9.772 -0.573 90 HE21 GLN 553 HE21 GLN 553 51.111 9.538 0.588 91 HE22 GLN 553 HE22 GLN 553 52.524 10.428 0.286 92 H LYS 554 HN LYS 554 50.793 8.275 -5.047 93 HA LYS 554 HA LYS 554 48.559 8.737 -6.965 94 HB2 LYS 554 HB2 LYS 554 51.519 9.229 -7.429 95 HB3 LYS 554 HB1 LYS 554 50.337 9.123 -8.733 96 HG2 LYS 554 HG2 LYS 554 50.142 11.080 -6.425 97 HG3 LYS 554 HG1 LYS 554 50.819 11.479 -8.003 98 HD2 LYS 554 HD2 LYS 554 48.548 10.535 -8.918 99 HD3 LYS 554 HD1 LYS 554 47.977 10.826 -7.275 100 HE2 LYS 554 HE2 LYS 554 47.503 12.815 -8.548 101 HE3 LYS 554 HE1 LYS 554 48.861 13.189 -7.486 102 HZ1 LYS 554 HZ1 LYS 554 49.439 12.130 -10.154 103 HZ2 LYS 554 HZ2 LYS 554 50.325 13.230 -9.209 104 HZ3 LYS 554 HZ3 LYS 554 48.931 13.743 -10.034 105 HA PRO 555 HA PRO 555 48.771 4.378 -7.579 106 HB2 PRO 555 HB2 PRO 555 48.750 4.898 -10.479 107 HB3 PRO 555 HB1 PRO 555 47.611 3.987 -9.481 108 HG2 PRO 555 HG2 PRO 555 47.163 6.530 -10.523 109 HG3 PRO 555 HG1 PRO 555 46.258 5.800 -9.195 110 HD2 PRO 555 HD2 PRO 555 48.120 8.040 -9.099 111 HD3 PRO 555 HD1 PRO 555 47.095 7.394 -7.792 112 H ILE 556 HN ILE 556 50.185 2.747 -8.267 113 HA ILE 556 HA ILE 556 52.883 3.710 -9.089 114 HB ILE 556 HB ILE 556 51.943 1.274 -7.553 115 HG12 ILE 556 HG12 ILE 556 53.925 3.357 -6.644 116 HG13 ILE 556 HG11 ILE 556 52.197 3.679 -6.531 117 HG21 ILE 556 HG21 ILE 556 53.781 0.509 -8.883 118 HG22 ILE 556 HG22 ILE 556 54.462 0.881 -7.300 119 HG23 ILE 556 HG23 ILE 556 54.675 2.009 -8.638 120 HD11 ILE 556 HD11 ILE 556 52.376 1.134 -5.487 121 HD12 ILE 556 HD12 ILE 556 52.321 2.615 -4.532 122 HD13 ILE 556 HD13 ILE 556 53.873 1.875 -4.922 123 H THR 557 HN THR 557 52.684 3.619 -11.339 124 HA THR 557 HA THR 557 51.511 1.291 -12.661 125 HB THR 557 HB THR 557 52.327 2.452 -14.746 126 HG1 THR 557 HG1 THR 557 54.106 3.475 -13.618 127 HG21 THR 557 HG21 THR 557 50.912 4.595 -14.230 128 HG22 THR 557 HG22 THR 557 50.603 3.804 -12.683 129 HG23 THR 557 HG23 THR 557 50.126 3.018 -14.188 130 H GLY 558 HN GLY 558 52.626 -0.576 -12.643 131 HA2 GLY 558 HA2 GLY 558 54.524 -1.759 -13.782 132 HA3 GLY 558 HA1 GLY 558 55.577 -0.498 -13.130 133 H ARG 559 HN ARG 559 56.838 -1.911 -11.828 134 HA ARG 559 HA ARG 559 55.691 -3.854 -10.040 135 HB2 ARG 559 HB2 ARG 559 58.366 -2.483 -10.249 136 HB3 ARG 559 HB1 ARG 559 57.995 -3.474 -8.840 137 HG2 ARG 559 HG2 ARG 559 57.300 -4.723 -11.422 138 HG3 ARG 559 HG1 ARG 559 59.027 -4.451 -11.186 139 HD2 ARG 559 HD2 ARG 559 59.030 -5.711 -9.140 140 HD3 ARG 559 HD1 ARG 559 57.267 -5.784 -9.112 141 HE ARG 559 HE ARG 559 57.949 -6.999 -11.512 142 HH11 ARG 559 HH11 ARG 559 58.320 -9.213 -11.698 143 HH12 ARG 559 HH12 ARG 559 58.814 -10.118 -10.307 144 HH21 ARG 559 HH21 ARG 559 58.795 -7.382 -8.185 145 HH22 ARG 559 HH22 ARG 559 59.083 -9.084 -8.322 146 H CYS 560 HN CYS 560 55.831 -3.604 -7.591 147 HA CYS 560 HA CYS 560 55.694 -0.847 -6.588 148 HB2 CYS 560 HB2 CYS 560 53.412 -0.961 -5.803 149 HB3 CYS 560 HB1 CYS 560 53.405 -1.316 -7.530 150 HG CYS 560 HG CYS 560 53.632 -3.922 -6.112 151 H ILE 561 HN ILE 561 56.235 -0.761 -4.466 152 HA ILE 561 HA ILE 561 56.881 -3.327 -3.136 153 HB ILE 561 HB ILE 561 57.412 -0.612 -1.954 154 HG12 ILE 561 HG12 ILE 561 58.134 -0.456 -4.309 155 HG13 ILE 561 HG11 ILE 561 59.528 -0.517 -3.239 156 HG21 ILE 561 HG21 ILE 561 58.525 -3.387 -1.771 157 HG22 ILE 561 HG22 ILE 561 58.128 -2.251 -0.481 158 HG23 ILE 561 HG23 ILE 561 59.591 -2.024 -1.440 159 HD11 ILE 561 HD11 ILE 561 58.545 -2.541 -5.188 160 HD12 ILE 561 HD12 ILE 561 59.240 -3.155 -3.689 161 HD13 ILE 561 HD13 ILE 561 60.198 -2.118 -4.745 162 H THR 562 HN THR 562 56.052 -3.857 -1.065 163 HA THR 562 HA THR 562 53.732 -2.213 -0.136 164 HB THR 562 HB THR 562 53.907 -5.243 -0.201 165 HG1 THR 562 HG1 THR 562 53.485 -4.152 -2.216 166 HG21 THR 562 HG21 THR 562 51.420 -4.923 0.444 167 HG22 THR 562 HG22 THR 562 51.898 -3.294 0.921 168 HG23 THR 562 HG23 THR 562 52.630 -4.693 1.706 169 H ALA 563 HN ALA 563 54.556 -1.323 1.699 170 HA ALA 563 HA ALA 563 56.342 -2.913 3.437 171 HB1 ALA 563 HB1 ALA 563 56.733 -0.845 4.616 172 HB2 ALA 563 HB2 ALA 563 55.341 -0.084 3.846 173 HB3 ALA 563 HB3 ALA 563 56.769 -0.481 2.891 174 H MET 564 HN MET 564 54.952 -0.983 5.585 175 HA MET 564 HA MET 564 53.377 -3.093 6.798 176 HB2 MET 564 HB2 MET 564 53.596 -0.141 7.451 177 HB3 MET 564 HB1 MET 564 52.818 -1.342 8.478 178 HG2 MET 564 HG2 MET 564 54.949 -2.570 8.673 179 HG3 MET 564 HG1 MET 564 55.733 -1.381 7.633 180 HE1 MET 564 HE1 MET 564 55.200 -2.519 11.059 181 HE2 MET 564 HE2 MET 564 53.588 -1.840 10.847 182 HE3 MET 564 HE3 MET 564 54.682 -1.136 12.034 183 H ALA 565 HN ALA 565 52.210 -3.065 4.520 184 HA ALA 565 HA ALA 565 50.059 -2.949 3.562 185 HB1 ALA 565 HB1 ALA 565 48.246 -2.269 4.825 186 HB2 ALA 565 HB2 ALA 565 49.105 -0.890 5.509 187 HB3 ALA 565 HB3 ALA 565 49.409 -2.513 6.127 188 H LYS 566 HN LYS 566 52.200 -0.436 4.218 189 HA LYS 566 HA LYS 566 50.835 1.566 2.524 190 HB2 LYS 566 HB2 LYS 566 53.133 1.520 4.389 191 HB3 LYS 566 HB1 LYS 566 53.338 2.566 2.985 192 HG2 LYS 566 HG2 LYS 566 51.175 3.659 3.492 193 HG3 LYS 566 HG1 LYS 566 50.997 2.631 4.914 194 HD2 LYS 566 HD2 LYS 566 53.397 4.426 4.484 195 HD3 LYS 566 HD1 LYS 566 51.956 4.951 5.354 196 HE2 LYS 566 HE2 LYS 566 53.029 4.096 7.175 197 HE3 LYS 566 HE1 LYS 566 52.437 2.550 6.566 198 HZ1 LYS 566 HZ1 LYS 566 54.565 2.551 5.182 199 HZ2 LYS 566 HZ2 LYS 566 54.704 2.220 6.843 200 HZ3 LYS 566 HZ3 LYS 566 55.113 3.756 6.242 201 H LYS 567 HN LYS 567 51.347 1.873 0.380 202 HA LYS 567 HA LYS 567 53.309 0.005 -0.808 203 HB2 LYS 567 HB2 LYS 567 51.071 1.696 -1.893 204 HB3 LYS 567 HB1 LYS 567 52.313 1.067 -2.975 205 HG2 LYS 567 HG2 LYS 567 50.330 -0.448 -2.781 206 HG3 LYS 567 HG1 LYS 567 51.839 -1.212 -2.279 207 HD2 LYS 567 HD2 LYS 567 51.298 -1.067 0.012 208 HD3 LYS 567 HD1 LYS 567 50.080 0.181 -0.264 209 HE2 LYS 567 HE2 LYS 567 48.500 -1.336 -1.058 210 HE3 LYS 567 HE1 LYS 567 49.723 -2.518 -1.524 211 HZ1 LYS 567 HZ1 LYS 567 49.945 -3.272 0.606 212 HZ2 LYS 567 HZ2 LYS 567 48.299 -2.850 0.619 213 HZ3 LYS 567 HZ3 LYS 567 49.452 -1.809 1.309 214 H PHE 568 HN PHE 568 54.648 0.966 -2.653 215 HA PHE 568 HA PHE 568 55.399 3.804 -2.370 216 HB2 PHE 568 HB2 PHE 568 57.228 1.535 -1.525 217 HB3 PHE 568 HB1 PHE 568 57.829 3.133 -1.946 218 HD1 PHE 568 HD1 PHE 568 56.012 1.131 0.533 219 HD2 PHE 568 HD2 PHE 568 57.312 5.087 -0.524 220 HE1 PHE 568 HE1 PHE 568 55.565 1.896 2.848 221 HE2 PHE 568 HE2 PHE 568 56.860 5.852 1.791 222 HZ PHE 568 HZ PHE 568 55.988 4.257 3.477 223 H HIS 569 HN HIS 569 56.346 4.509 -4.309 224 HA HIS 569 HA HIS 569 56.286 2.816 -6.613 225 HB2 HIS 569 HB2 HIS 569 57.672 5.427 -5.992 226 HB3 HIS 569 HB1 HIS 569 58.003 4.591 -7.505 227 HD2 HIS 569 HD2 HIS 569 55.360 3.992 -8.928 228 HE1 HIS 569 HE1 HIS 569 53.707 7.579 -7.431 229 HE2 HIS 569 HE2 HIS 569 53.433 5.729 -9.158 230 HA PRO 570 HA PRO 570 59.764 0.179 -5.727 231 HB2 PRO 570 HB2 PRO 570 60.367 0.376 -8.619 232 HB3 PRO 570 HB1 PRO 570 60.018 -1.049 -7.633 233 HG2 PRO 570 HG2 PRO 570 58.237 0.036 -9.424 234 HG3 PRO 570 HG1 PRO 570 57.773 -0.931 -8.023 235 HD2 PRO 570 HD2 PRO 570 57.421 1.960 -8.474 236 HD3 PRO 570 HD1 PRO 570 56.628 0.900 -7.281 237 H GLU 571 HN GLU 571 59.989 3.316 -6.988 238 HA GLU 571 HA GLU 571 62.962 3.342 -6.692 239 HB2 GLU 571 HB2 GLU 571 62.999 5.221 -8.201 240 HB3 GLU 571 HB1 GLU 571 62.018 3.960 -8.949 241 HG2 GLU 571 HG2 GLU 571 60.079 5.229 -7.589 242 HG3 GLU 571 HG1 GLU 571 61.185 6.579 -7.810 243 H HIS 572 HN HIS 572 60.005 4.388 -5.315 244 HA HIS 572 HA HIS 572 61.337 6.657 -3.907 245 HB2 HIS 572 HB2 HIS 572 58.410 5.865 -4.084 246 HB3 HIS 572 HB1 HIS 572 59.020 7.216 -3.128 247 HD2 HIS 572 HD2 HIS 572 61.297 7.840 -5.742 248 HE1 HIS 572 HE1 HIS 572 57.748 9.144 -7.606 249 HE2 HIS 572 HE2 HIS 572 60.285 9.210 -7.702 250 H PHE 573 HN PHE 573 60.496 3.393 -3.499 251 HA PHE 573 HA PHE 573 60.128 3.486 -0.601 252 HB2 PHE 573 HB2 PHE 573 59.199 1.647 -2.050 253 HB3 PHE 573 HB1 PHE 573 60.850 1.127 -2.366 254 HD1 PHE 573 HD1 PHE 573 61.506 -0.716 -1.109 255 HD2 PHE 573 HD2 PHE 573 58.899 2.193 0.672 256 HE1 PHE 573 HE1 PHE 573 61.512 -2.007 1.007 257 HE2 PHE 573 HE2 PHE 573 58.902 0.902 2.787 258 HZ PHE 573 HZ PHE 573 60.208 -1.198 2.955 259 H VAL 574 HN VAL 574 62.014 4.670 0.017 260 HA VAL 574 HA VAL 574 64.605 3.269 -0.450 261 HB VAL 574 HB VAL 574 65.666 5.406 0.173 262 HG11 VAL 574 HG11 VAL 574 64.453 4.824 -2.181 263 HG12 VAL 574 HG12 VAL 574 65.358 6.312 -1.909 264 HG13 VAL 574 HG13 VAL 574 63.601 6.310 -1.764 265 HG21 VAL 574 HG21 VAL 574 62.791 6.326 0.506 266 HG22 VAL 574 HG22 VAL 574 64.180 7.412 0.460 267 HG23 VAL 574 HG23 VAL 574 64.021 6.239 1.768 268 H CYS 575 HN CYS 575 66.178 3.566 1.449 269 HA CYS 575 HA CYS 575 64.975 2.363 3.813 270 HB2 CYS 575 HB2 CYS 575 67.154 1.603 3.172 271 HB3 CYS 575 HB1 CYS 575 67.780 3.246 3.106 272 H ALA 576 HN ALA 576 64.336 3.419 5.645 273 HA ALA 576 HA ALA 576 64.382 6.321 5.749 274 HB1 ALA 576 HB1 ALA 576 63.436 5.964 8.058 275 HB2 ALA 576 HB2 ALA 576 63.640 4.229 7.816 276 HB3 ALA 576 HB3 ALA 576 62.538 5.140 6.784 277 H PHE 577 HN PHE 577 67.012 5.354 5.493 278 HA PHE 577 HA PHE 577 68.239 6.467 7.950 279 HB2 PHE 577 HB2 PHE 577 68.141 3.846 7.958 280 HB3 PHE 577 HB1 PHE 577 69.407 3.965 6.739 281 HD1 PHE 577 HD1 PHE 577 71.624 4.055 7.452 282 HD2 PHE 577 HD2 PHE 577 68.517 5.389 10.104 283 HE1 PHE 577 HE1 PHE 577 73.306 4.432 9.235 284 HE2 PHE 577 HE2 PHE 577 70.200 5.766 11.885 285 HZ PHE 577 HZ PHE 577 72.594 5.287 11.450 286 H CYS 578 HN CYS 578 69.179 4.833 4.923 287 HA CYS 578 HA CYS 578 71.110 7.034 4.386 288 HB2 CYS 578 HB2 CYS 578 71.769 5.417 2.470 289 HB3 CYS 578 HB1 CYS 578 72.168 4.934 4.117 290 H LEU 579 HN LEU 579 68.045 5.806 3.443 291 HA LEU 579 HA LEU 579 66.517 6.437 1.794 292 HB2 LEU 579 HB2 LEU 579 68.149 8.995 1.882 293 HB3 LEU 579 HB1 LEU 579 66.537 8.830 1.189 294 HG LEU 579 HG LEU 579 66.179 7.752 3.694 295 HD11 LEU 579 HD11 LEU 579 68.511 8.514 4.273 296 HD12 LEU 579 HD12 LEU 579 67.255 9.193 5.307 297 HD13 LEU 579 HD13 LEU 579 67.969 10.174 4.027 298 HD21 LEU 579 HD21 LEU 579 65.076 9.927 4.214 299 HD22 LEU 579 HD22 LEU 579 64.684 9.351 2.594 300 HD23 LEU 579 HD23 LEU 579 65.869 10.640 2.809 301 H LYS 580 HN LYS 580 69.291 5.331 0.989 302 HA LYS 580 HA LYS 580 69.870 6.514 -1.595 303 HB2 LYS 580 HB2 LYS 580 71.297 4.528 -1.936 304 HB3 LYS 580 HB1 LYS 580 71.565 5.223 -0.339 305 HG2 LYS 580 HG2 LYS 580 69.760 3.528 0.462 306 HG3 LYS 580 HG1 LYS 580 70.068 2.708 -1.068 307 HD2 LYS 580 HD2 LYS 580 72.611 3.295 0.010 308 HD3 LYS 580 HD1 LYS 580 71.645 2.684 1.353 309 HE2 LYS 580 HE2 LYS 580 72.703 0.797 0.254 310 HE3 LYS 580 HE1 LYS 580 70.973 0.742 -0.085 311 HZ1 LYS 580 HZ1 LYS 580 71.329 1.039 -2.248 312 HZ2 LYS 580 HZ2 LYS 580 72.963 0.691 -1.938 313 HZ3 LYS 580 HZ3 LYS 580 72.430 2.304 -1.993 314 H GLN 581 HN GLN 581 68.315 3.444 -0.642 315 HA GLN 581 HA GLN 581 66.170 3.607 -2.489 316 HB2 GLN 581 HB2 GLN 581 68.571 2.992 -3.799 317 HB3 GLN 581 HB1 GLN 581 67.792 1.430 -3.572 318 HG2 GLN 581 HG2 GLN 581 65.826 3.373 -4.392 319 HG3 GLN 581 HG1 GLN 581 67.178 3.392 -5.523 320 HE21 GLN 581 HE21 GLN 581 64.568 1.414 -4.222 321 HE22 GLN 581 HE22 GLN 581 64.720 0.150 -5.344 322 H LEU 582 HN LEU 582 64.955 1.481 -2.488 323 HA LEU 582 HA LEU 582 65.955 -0.597 -0.699 324 HB2 LEU 582 HB2 LEU 582 64.978 1.454 0.670 325 HB3 LEU 582 HB1 LEU 582 63.438 0.696 0.279 326 HG LEU 582 HG LEU 582 64.408 -1.468 1.156 327 HD11 LEU 582 HD11 LEU 582 66.717 0.283 1.422 328 HD12 LEU 582 HD12 LEU 582 66.631 -1.474 1.527 329 HD13 LEU 582 HD13 LEU 582 66.304 -0.487 2.950 330 HD21 LEU 582 HD21 LEU 582 63.797 0.968 2.769 331 HD22 LEU 582 HD22 LEU 582 64.388 -0.456 3.626 332 HD23 LEU 582 HD23 LEU 582 62.914 -0.554 2.663 333 H ASN 583 HN ASN 583 64.392 -2.375 -0.449 334 HA ASN 583 HA ASN 583 62.028 -2.391 -2.192 335 HB2 ASN 583 HB2 ASN 583 63.754 -2.917 -3.827 336 HB3 ASN 583 HB1 ASN 583 64.449 -4.133 -2.756 337 HD21 ASN 583 HD21 ASN 583 63.967 -6.119 -3.738 338 HD22 ASN 583 HD22 ASN 583 62.422 -6.579 -4.269 339 H LYS 584 HN LYS 584 60.519 -3.656 -1.217 340 HA LYS 584 HA LYS 584 60.832 -4.868 1.291 341 HB2 LYS 584 HB2 LYS 584 58.610 -4.516 0.595 342 HB3 LYS 584 HB1 LYS 584 58.881 -5.284 -0.966 343 HG2 LYS 584 HG2 LYS 584 57.543 -6.767 0.427 344 HG3 LYS 584 HG1 LYS 584 59.136 -7.481 0.197 345 HD2 LYS 584 HD2 LYS 584 58.749 -7.735 2.510 346 HD3 LYS 584 HD1 LYS 584 59.758 -6.293 2.421 347 HE2 LYS 584 HE2 LYS 584 57.898 -5.848 3.926 348 HE3 LYS 584 HE1 LYS 584 57.673 -4.898 2.459 349 HZ1 LYS 584 HZ1 LYS 584 55.700 -5.857 2.267 350 HZ2 LYS 584 HZ2 LYS 584 56.018 -6.926 3.550 351 HZ3 LYS 584 HZ3 LYS 584 56.482 -7.333 1.968 352 H GLY 585 HN GLY 585 61.621 -6.114 -1.867 353 HA2 GLY 585 HA2 GLY 585 61.667 -8.878 -1.462 354 HA3 GLY 585 HA1 GLY 585 62.809 -8.029 -2.495 355 H THR 586 HN THR 586 64.034 -6.480 -0.323 356 HA THR 586 HA THR 586 65.134 -8.566 1.475 357 HB THR 586 HB THR 586 67.471 -8.024 0.824 358 HG1 THR 586 HG1 THR 586 66.243 -6.655 -1.332 359 HG21 THR 586 HG21 THR 586 67.494 -9.297 -1.235 360 HG22 THR 586 HG22 THR 586 65.810 -8.885 -1.561 361 HG23 THR 586 HG23 THR 586 66.213 -9.942 -0.208 362 H PHE 587 HN PHE 587 63.574 -6.136 1.991 363 HA PHE 587 HA PHE 587 65.628 -4.374 3.237 364 HB2 PHE 587 HB2 PHE 587 64.154 -2.640 3.076 365 HB3 PHE 587 HB1 PHE 587 63.400 -3.639 1.851 366 HD1 PHE 587 HD1 PHE 587 61.928 -5.673 3.172 367 HD2 PHE 587 HD2 PHE 587 62.579 -1.626 4.457 368 HE1 PHE 587 HE1 PHE 587 59.868 -5.775 4.547 369 HE2 PHE 587 HE2 PHE 587 60.516 -1.729 5.826 370 HZ PHE 587 HZ PHE 587 59.161 -3.804 5.872 371 H LYS 588 HN LYS 588 64.690 -3.418 5.380 372 HA LYS 588 HA LYS 588 63.438 -5.493 7.086 373 HB2 LYS 588 HB2 LYS 588 66.128 -4.172 7.536 374 HB3 LYS 588 HB1 LYS 588 65.209 -4.886 8.855 375 HG2 LYS 588 HG2 LYS 588 66.097 -6.359 6.355 376 HG3 LYS 588 HG1 LYS 588 66.892 -6.458 7.923 377 HD2 LYS 588 HD2 LYS 588 64.103 -7.387 7.216 378 HD3 LYS 588 HD1 LYS 588 65.458 -8.372 7.751 379 HE2 LYS 588 HE2 LYS 588 65.427 -7.013 9.912 380 HE3 LYS 588 HE1 LYS 588 63.876 -6.371 9.375 381 HZ1 LYS 588 HZ1 LYS 588 63.100 -8.692 9.157 382 HZ2 LYS 588 HZ2 LYS 588 63.485 -8.260 10.755 383 HZ3 LYS 588 HZ3 LYS 588 64.556 -9.219 9.849 384 H GLU 589 HN GLU 589 62.900 -4.350 9.302 385 HA GLU 589 HA GLU 589 62.597 -1.427 8.934 386 HB2 GLU 589 HB2 GLU 589 60.287 -1.375 9.080 387 HB3 GLU 589 HB1 GLU 589 60.515 -2.866 8.167 388 HG2 GLU 589 HG2 GLU 589 60.567 -4.027 10.489 389 HG3 GLU 589 HG1 GLU 589 59.852 -2.532 11.090 390 H GLN 590 HN GLN 590 62.305 -0.281 10.860 391 HA GLN 590 HA GLN 590 62.261 -1.701 13.434 392 HB2 GLN 590 HB2 GLN 590 64.698 -1.576 12.646 393 HB3 GLN 590 HB1 GLN 590 64.553 0.172 12.796 394 HG2 GLN 590 HG2 GLN 590 65.460 -0.561 14.869 395 HG3 GLN 590 HG1 GLN 590 63.759 -0.234 15.194 396 HE21 GLN 590 HE21 GLN 590 65.093 -3.097 13.505 397 HE22 GLN 590 HE22 GLN 590 64.552 -4.223 14.654 398 H ASN 591 HN ASN 591 61.605 -0.260 15.118 399 HA ASN 591 HA ASN 591 60.446 1.594 15.958 400 HB2 ASN 591 HB2 ASN 591 62.468 2.887 14.122 401 HB3 ASN 591 HB1 ASN 591 61.365 3.832 15.116 402 HD21 ASN 591 HD21 ASN 591 64.430 2.488 15.131 403 HD22 ASN 591 HD22 ASN 591 64.668 2.377 16.808 404 H ASP 592 HN ASP 592 59.603 0.289 13.280 405 HA ASP 592 HA ASP 592 57.639 0.543 12.001 406 HB2 ASP 592 HB2 ASP 592 57.103 2.237 14.029 407 HB3 ASP 592 HB1 ASP 592 57.252 3.405 12.713 408 H LYS 593 HN LYS 593 60.403 1.306 11.132 409 HA LYS 593 HA LYS 593 59.533 2.833 8.745 410 HB2 LYS 593 HB2 LYS 593 62.135 3.787 9.237 411 HB3 LYS 593 HB1 LYS 593 60.632 4.696 9.342 412 HG2 LYS 593 HG2 LYS 593 60.432 3.780 11.736 413 HG3 LYS 593 HG1 LYS 593 62.121 3.302 11.565 414 HD2 LYS 593 HD2 LYS 593 62.721 5.637 11.013 415 HD3 LYS 593 HD1 LYS 593 61.035 6.111 11.220 416 HE2 LYS 593 HE2 LYS 593 61.126 5.307 13.574 417 HE3 LYS 593 HE1 LYS 593 62.836 4.931 13.356 418 HZ1 LYS 593 HZ1 LYS 593 62.884 7.038 14.257 419 HZ2 LYS 593 HZ2 LYS 593 61.507 7.560 13.409 420 HZ3 LYS 593 HZ3 LYS 593 62.987 7.370 12.597 421 HA PRO 594 HA PRO 594 61.893 -0.228 6.639 422 HB2 PRO 594 HB2 PRO 594 62.756 1.231 4.478 423 HB3 PRO 594 HB1 PRO 594 61.116 0.604 4.670 424 HG2 PRO 594 HG2 PRO 594 62.135 3.377 5.046 425 HG3 PRO 594 HG1 PRO 594 60.565 2.828 4.456 426 HD2 PRO 594 HD2 PRO 594 61.011 3.800 7.019 427 HD3 PRO 594 HD1 PRO 594 59.671 2.710 6.584 428 H TYR 595 HN TYR 595 63.975 -0.922 6.114 429 HA TYR 595 HA TYR 595 66.312 0.819 6.323 430 HB2 TYR 595 HB2 TYR 595 65.679 -1.241 8.465 431 HB3 TYR 595 HB1 TYR 595 67.295 -0.594 8.202 432 HD1 TYR 595 HD1 TYR 595 67.556 1.987 8.240 433 HD2 TYR 595 HD2 TYR 595 64.157 -0.093 9.835 434 HE1 TYR 595 HE1 TYR 595 66.980 3.974 9.610 435 HE2 TYR 595 HE2 TYR 595 63.586 1.892 11.201 436 HH TYR 595 HH TYR 595 64.974 4.941 10.687 437 H CYS 596 HN CYS 596 67.723 -0.066 4.813 438 HA CYS 596 HA CYS 596 67.206 -2.455 3.412 439 HB2 CYS 596 HB2 CYS 596 70.069 -1.722 3.870 440 HB3 CYS 596 HB1 CYS 596 69.256 -2.170 2.374 441 H GLN 597 HN GLN 597 67.907 -4.592 3.693 442 HA GLN 597 HA GLN 597 68.034 -5.629 6.297 443 HB2 GLN 597 HB2 GLN 597 67.666 -7.331 4.795 444 HB3 GLN 597 HB1 GLN 597 68.686 -6.583 3.569 445 HG2 GLN 597 HG2 GLN 597 69.682 -8.691 4.355 446 HG3 GLN 597 HG1 GLN 597 70.700 -7.322 4.792 447 HE21 GLN 597 HE21 GLN 597 67.819 -7.522 6.695 448 HE22 GLN 597 HE22 GLN 597 68.518 -8.226 8.071 449 H ASN 598 HN ASN 598 70.609 -4.471 4.187 450 HA ASN 598 HA ASN 598 72.803 -5.265 5.879 451 HB2 ASN 598 HB2 ASN 598 73.119 -4.645 3.500 452 HB3 ASN 598 HB1 ASN 598 72.622 -2.994 3.868 453 HD21 ASN 598 HD21 ASN 598 75.108 -5.435 4.778 454 HD22 ASN 598 HD22 ASN 598 76.308 -4.293 5.147 455 H CYS 599 HN CYS 599 70.761 -2.379 5.630 456 HA CYS 599 HA CYS 599 72.188 -0.821 7.601 457 HB2 CYS 599 HB2 CYS 599 69.420 -0.707 6.405 458 HB3 CYS 599 HB1 CYS 599 69.823 0.305 7.787 459 H PHE 600 HN PHE 600 69.051 -2.561 7.816 460 HA PHE 600 HA PHE 600 68.686 -2.474 10.603 461 HB2 PHE 600 HB2 PHE 600 66.978 -3.425 9.188 462 HB3 PHE 600 HB1 PHE 600 68.080 -4.653 8.579 463 HD1 PHE 600 HD1 PHE 600 65.826 -3.699 11.283 464 HD2 PHE 600 HD2 PHE 600 68.850 -6.504 10.075 465 HE1 PHE 600 HE1 PHE 600 65.122 -5.242 13.092 466 HE2 PHE 600 HE2 PHE 600 68.147 -8.041 11.889 467 HZ PHE 600 HZ PHE 600 66.283 -7.410 13.396 468 H LEU 601 HN LEU 601 70.546 -4.781 8.664 469 HA LEU 601 HA LEU 601 71.517 -6.421 10.782 470 HB2 LEU 601 HB2 LEU 601 71.716 -7.058 8.435 471 HB3 LEU 601 HB1 LEU 601 72.719 -5.654 8.104 472 HG LEU 601 HG LEU 601 74.344 -6.606 9.857 473 HD11 LEU 601 HD11 LEU 601 72.585 -9.024 9.341 474 HD12 LEU 601 HD12 LEU 601 72.831 -8.218 10.890 475 HD13 LEU 601 HD13 LEU 601 74.162 -9.087 10.128 476 HD21 LEU 601 HD21 LEU 601 73.820 -8.159 7.303 477 HD22 LEU 601 HD22 LEU 601 75.349 -8.113 8.183 478 HD23 LEU 601 HD23 LEU 601 74.729 -6.651 7.413 479 H LYS 602 HN LYS 602 72.337 -3.250 9.665 480 HA LYS 602 HA LYS 602 74.854 -3.088 11.194 481 HB2 LYS 602 HB2 LYS 602 73.942 -1.871 8.893 482 HB3 LYS 602 HB1 LYS 602 73.695 -0.612 10.095 483 HG2 LYS 602 HG2 LYS 602 75.899 -0.270 9.316 484 HG3 LYS 602 HG1 LYS 602 76.093 -1.097 10.861 485 HD2 LYS 602 HD2 LYS 602 77.558 -2.238 9.370 486 HD3 LYS 602 HD1 LYS 602 76.143 -3.281 9.504 487 HE2 LYS 602 HE2 LYS 602 75.356 -2.709 7.374 488 HE3 LYS 602 HE1 LYS 602 76.270 -1.201 7.333 489 HZ1 LYS 602 HZ1 LYS 602 78.318 -2.572 7.284 490 HZ2 LYS 602 HZ2 LYS 602 77.336 -2.763 5.910 491 HZ3 LYS 602 HZ3 LYS 602 77.351 -3.956 7.120 492 H LEU 603 HN LEU 603 71.538 -1.815 11.311 493 HA LEU 603 HA LEU 603 72.095 -0.223 13.709 494 HB2 LEU 603 HB2 LEU 603 69.318 -0.860 12.755 495 HB3 LEU 603 HB1 LEU 603 69.926 0.616 13.489 496 HG LEU 603 HG LEU 603 70.457 -0.361 10.678 497 HD11 LEU 603 HD11 LEU 603 69.315 1.745 10.061 498 HD12 LEU 603 HD12 LEU 603 69.041 2.083 11.770 499 HD13 LEU 603 HD13 LEU 603 68.267 0.691 11.011 500 HD21 LEU 603 HD21 LEU 603 71.654 1.922 12.259 501 HD22 LEU 603 HD22 LEU 603 71.631 1.914 10.495 502 HD23 LEU 603 HD23 LEU 603 72.503 0.656 11.371 503 H PHE 604 HN PHE 604 69.937 -2.968 12.969 504 HA PHE 604 HA PHE 604 69.394 -3.507 15.757 505 HB2 PHE 604 HB2 PHE 604 68.027 -4.129 13.601 506 HB3 PHE 604 HB1 PHE 604 69.047 -5.566 13.600 507 HD1 PHE 604 HD1 PHE 604 68.599 -7.371 15.064 508 HD2 PHE 604 HD2 PHE 604 66.748 -3.555 15.751 509 HE1 PHE 604 HE1 PHE 604 67.180 -8.377 16.831 510 HE2 PHE 604 HE2 PHE 604 65.329 -4.562 17.518 511 HZ PHE 604 HZ PHE 604 65.545 -6.973 18.058 512 H CYS 605 HN CYS 605 71.952 -4.382 13.599 513 HA CYS 605 HA CYS 605 73.127 -6.059 15.753 514 HB2 CYS 605 HB2 CYS 605 71.856 -7.423 13.893 515 HB3 CYS 605 HB1 CYS 605 73.287 -7.069 12.926 516 HG CYS 605 HG CYS 605 74.677 -8.161 15.010 Start of MODEL 7 1 H TYR 541 HT1 TYR 541 37.156 5.283 -11.230 2 HA TYR 541 HA TYR 541 36.348 7.206 -10.013 3 HB2 TYR 541 HB2 TYR 541 35.634 5.115 -7.932 4 HB3 TYR 541 HB1 TYR 541 35.576 6.858 -7.672 5 HD1 TYR 541 HD1 TYR 541 33.965 8.268 -8.951 6 HD2 TYR 541 HD2 TYR 541 33.934 3.979 -9.208 7 HE1 TYR 541 HE1 TYR 541 31.696 8.343 -9.948 8 HE2 TYR 541 HE2 TYR 541 31.665 4.056 -10.205 9 HH TYR 541 HH TYR 541 30.367 6.428 -11.634 10 H HIS 542 HN HIS 542 37.638 4.539 -8.003 11 HA HIS 542 HA HIS 542 39.853 6.200 -7.089 12 HB2 HIS 542 HB2 HIS 542 38.979 4.532 -5.575 13 HB3 HIS 542 HB1 HIS 542 39.231 3.251 -6.756 14 HD1 HIS 542 HD1 HIS 542 41.371 5.882 -4.990 15 HD2 HIS 542 HD2 HIS 542 41.624 1.949 -6.347 16 HE1 HIS 542 HE1 HIS 542 43.669 5.044 -4.334 17 H GLU 543 HN GLU 543 42.141 5.277 -7.293 18 HA GLU 543 HA GLU 543 42.683 4.809 -10.160 19 HB2 GLU 543 HB2 GLU 543 44.477 5.387 -7.785 20 HB3 GLU 543 HB1 GLU 543 45.088 5.087 -9.412 21 HG2 GLU 543 HG2 GLU 543 43.947 7.013 -10.287 22 HG3 GLU 543 HG1 GLU 543 43.043 7.233 -8.788 23 H ARG 544 HN ARG 544 41.471 2.592 -9.385 24 HA ARG 544 HA ARG 544 43.296 0.623 -8.222 25 HB2 ARG 544 HB2 ARG 544 40.552 0.796 -8.485 26 HB3 ARG 544 HB1 ARG 544 40.971 -0.407 -9.704 27 HG2 ARG 544 HG2 ARG 544 42.084 -0.557 -6.899 28 HG3 ARG 544 HG1 ARG 544 40.520 -1.258 -7.308 29 HD2 ARG 544 HD2 ARG 544 41.770 -2.436 -9.243 30 HD3 ARG 544 HD1 ARG 544 43.242 -2.007 -8.372 31 HE ARG 544 HE ARG 544 41.647 -3.217 -6.448 32 HH11 ARG 544 HH11 ARG 544 41.701 -5.432 -6.034 33 HH12 ARG 544 HH12 ARG 544 42.237 -6.521 -7.269 34 HH21 ARG 544 HH21 ARG 544 42.835 -4.020 -9.589 35 HH22 ARG 544 HH22 ARG 544 42.878 -5.722 -9.278 36 H ARG 545 HN ARG 545 44.081 2.050 -10.734 37 HA ARG 545 HA ARG 545 43.948 0.068 -12.874 38 HB2 ARG 545 HB2 ARG 545 45.828 2.433 -12.696 39 HB3 ARG 545 HB1 ARG 545 45.250 1.618 -14.149 40 HG2 ARG 545 HG2 ARG 545 42.882 2.302 -13.344 41 HG3 ARG 545 HG1 ARG 545 43.725 3.430 -12.282 42 HD2 ARG 545 HD2 ARG 545 44.881 4.397 -14.251 43 HD3 ARG 545 HD1 ARG 545 43.987 3.296 -15.300 44 HE ARG 545 HE ARG 545 42.007 4.609 -13.865 45 HH11 ARG 545 HH11 ARG 545 41.046 6.518 -14.575 46 HH12 ARG 545 HH12 ARG 545 41.904 7.555 -15.665 47 HH21 ARG 545 HH21 ARG 545 44.705 5.524 -15.818 48 HH22 ARG 545 HH22 ARG 545 43.972 6.993 -16.367 49 H GLY 546 HN GLY 546 45.805 0.388 -10.068 50 HA2 GLY 546 HA2 GLY 546 47.396 -1.904 -10.554 51 HA3 GLY 546 HA1 GLY 546 48.374 -0.492 -10.962 52 H SER 547 HN SER 547 49.117 0.842 -9.306 53 HA SER 547 HA SER 547 48.146 0.692 -6.582 54 HB2 SER 547 HB2 SER 547 50.201 -1.195 -7.419 55 HB3 SER 547 HB1 SER 547 50.792 -0.135 -6.144 56 HG SER 547 HG SER 547 48.337 -1.567 -6.094 57 H LEU 548 HN LEU 548 48.498 2.759 -5.901 58 HA LEU 548 HA LEU 548 50.329 4.511 -7.278 59 HB2 LEU 548 HB2 LEU 548 48.563 4.754 -4.871 60 HB3 LEU 548 HB1 LEU 548 49.811 5.965 -5.128 61 HG LEU 548 HG LEU 548 48.938 6.464 -7.349 62 HD11 LEU 548 HD11 LEU 548 47.018 4.208 -6.738 63 HD12 LEU 548 HD12 LEU 548 48.153 4.325 -8.084 64 HD13 LEU 548 HD13 LEU 548 46.746 5.382 -8.025 65 HD21 LEU 548 HD21 LEU 548 47.834 7.303 -5.082 66 HD22 LEU 548 HD22 LEU 548 46.454 6.381 -5.677 67 HD23 LEU 548 HD23 LEU 548 47.110 7.704 -6.639 68 H CYS 549 HN CYS 549 52.378 5.144 -6.715 69 HA CYS 549 HA CYS 549 53.828 3.496 -4.780 70 HB2 CYS 549 HB2 CYS 549 55.266 3.966 -6.515 71 HB3 CYS 549 HB1 CYS 549 54.505 5.514 -6.866 72 H SER 550 HN SER 550 53.576 4.014 -2.652 73 HA SER 550 HA SER 550 52.572 6.437 -1.656 74 HB2 SER 550 HB2 SER 550 54.596 4.647 -0.283 75 HB3 SER 550 HB1 SER 550 53.552 5.822 0.507 76 HG SER 550 HG SER 550 52.927 3.367 -0.709 77 H GLY 551 HN GLY 551 53.388 8.363 -2.122 78 HA2 GLY 551 HA2 GLY 551 55.311 9.924 -1.474 79 HA3 GLY 551 HA1 GLY 551 56.356 8.720 -2.243 80 H CYS 552 HN CYS 552 54.374 8.089 -4.308 81 HA CYS 552 HA CYS 552 54.756 10.496 -6.044 82 HB2 CYS 552 HB2 CYS 552 54.705 7.542 -6.533 83 HB3 CYS 552 HB1 CYS 552 54.162 8.614 -7.823 84 H GLN 553 HN GLN 553 52.411 8.255 -4.722 85 HA GLN 553 HA GLN 553 50.074 8.218 -4.806 86 HB2 GLN 553 HB2 GLN 553 50.562 11.122 -5.547 87 HB3 GLN 553 HB1 GLN 553 48.966 10.446 -5.224 88 HG2 GLN 553 HG2 GLN 553 49.652 11.360 -3.148 89 HG3 GLN 553 HG1 GLN 553 49.948 9.632 -2.987 90 HE21 GLN 553 HE21 GLN 553 51.836 9.502 -1.738 91 HE22 GLN 553 HE22 GLN 553 53.274 10.335 -2.081 92 H LYS 554 HN LYS 554 51.702 7.545 -7.159 93 HA LYS 554 HA LYS 554 49.575 7.813 -9.225 94 HB2 LYS 554 HB2 LYS 554 52.559 8.222 -9.618 95 HB3 LYS 554 HB1 LYS 554 51.420 7.999 -10.946 96 HG2 LYS 554 HG2 LYS 554 51.225 10.196 -8.863 97 HG3 LYS 554 HG1 LYS 554 51.892 10.407 -10.482 98 HD2 LYS 554 HD2 LYS 554 49.661 9.514 -11.361 99 HD3 LYS 554 HD1 LYS 554 49.048 9.719 -9.722 100 HE2 LYS 554 HE2 LYS 554 50.356 11.944 -11.308 101 HE3 LYS 554 HE1 LYS 554 48.613 11.691 -11.232 102 HZ1 LYS 554 HZ1 LYS 554 48.830 11.815 -8.768 103 HZ2 LYS 554 HZ2 LYS 554 49.181 13.268 -9.576 104 HZ3 LYS 554 HZ3 LYS 554 50.442 12.298 -8.979 105 HA PRO 555 HA PRO 555 49.737 3.415 -9.350 106 HB2 PRO 555 HB2 PRO 555 49.908 3.633 -12.289 107 HB3 PRO 555 HB1 PRO 555 48.701 2.822 -11.282 108 HG2 PRO 555 HG2 PRO 555 48.325 5.243 -12.592 109 HG3 PRO 555 HG1 PRO 555 47.354 4.667 -11.234 110 HD2 PRO 555 HD2 PRO 555 49.242 6.890 -11.297 111 HD3 PRO 555 HD1 PRO 555 48.140 6.408 -9.983 112 H ILE 556 HN ILE 556 51.158 1.703 -9.741 113 HA ILE 556 HA ILE 556 53.919 2.519 -10.511 114 HB ILE 556 HB ILE 556 52.847 0.285 -8.767 115 HG12 ILE 556 HG12 ILE 556 54.802 2.436 -7.971 116 HG13 ILE 556 HG11 ILE 556 53.078 2.790 -8.009 117 HG21 ILE 556 HG21 ILE 556 55.694 0.909 -9.621 118 HG22 ILE 556 HG22 ILE 556 54.782 -0.551 -9.998 119 HG23 ILE 556 HG23 ILE 556 55.263 -0.218 -8.336 120 HD11 ILE 556 HD11 ILE 556 53.141 0.375 -6.679 121 HD12 ILE 556 HD12 ILE 556 53.049 1.954 -5.902 122 HD13 ILE 556 HD13 ILE 556 54.610 1.160 -6.101 123 H THR 557 HN THR 557 53.884 2.156 -12.736 124 HA THR 557 HA THR 557 52.700 -0.258 -13.870 125 HB THR 557 HB THR 557 53.738 0.595 -15.998 126 HG1 THR 557 HG1 THR 557 55.506 1.632 -14.890 127 HG21 THR 557 HG21 THR 557 51.580 1.401 -15.782 128 HG22 THR 557 HG22 THR 557 52.470 2.923 -15.759 129 HG23 THR 557 HG23 THR 557 51.917 2.202 -14.246 130 H GLY 558 HN GLY 558 53.683 -2.181 -13.712 131 HA2 GLY 558 HA2 GLY 558 55.595 -3.584 -14.458 132 HA3 GLY 558 HA1 GLY 558 56.668 -2.312 -13.862 133 H ARG 559 HN ARG 559 57.707 -3.712 -12.322 134 HA ARG 559 HA ARG 559 56.252 -5.286 -10.426 135 HB2 ARG 559 HB2 ARG 559 58.492 -4.815 -9.039 136 HB3 ARG 559 HB1 ARG 559 58.432 -5.974 -10.367 137 HG2 ARG 559 HG2 ARG 559 58.946 -3.142 -11.076 138 HG3 ARG 559 HG1 ARG 559 60.237 -4.009 -10.262 139 HD2 ARG 559 HD2 ARG 559 60.171 -5.778 -11.926 140 HD3 ARG 559 HD1 ARG 559 58.789 -5.029 -12.714 141 HE ARG 559 HE ARG 559 61.528 -4.443 -13.239 142 HH11 ARG 559 HH11 ARG 559 62.265 -2.519 -14.100 143 HH12 ARG 559 HH12 ARG 559 61.236 -1.127 -14.102 144 HH21 ARG 559 HH21 ARG 559 58.583 -2.741 -12.592 145 HH22 ARG 559 HH22 ARG 559 59.164 -1.252 -13.249 146 H CYS 560 HN CYS 560 56.486 -4.717 -7.968 147 HA CYS 560 HA CYS 560 56.395 -1.871 -7.334 148 HB2 CYS 560 HB2 CYS 560 54.060 -1.778 -6.658 149 HB3 CYS 560 HB1 CYS 560 54.145 -2.259 -8.351 150 HG CYS 560 HG CYS 560 54.097 -4.736 -6.657 151 H ILE 561 HN ILE 561 56.809 -1.554 -5.204 152 HA ILE 561 HA ILE 561 57.207 -3.969 -3.541 153 HB ILE 561 HB ILE 561 57.798 -1.167 -2.624 154 HG12 ILE 561 HG12 ILE 561 58.678 -1.355 -4.951 155 HG13 ILE 561 HG11 ILE 561 59.971 -1.250 -3.762 156 HG21 ILE 561 HG21 ILE 561 58.629 -3.949 -1.999 157 HG22 ILE 561 HG22 ILE 561 58.412 -2.568 -0.924 158 HG23 ILE 561 HG23 ILE 561 59.883 -2.716 -1.887 159 HD11 ILE 561 HD11 ILE 561 58.936 -3.821 -4.995 160 HD12 ILE 561 HD12 ILE 561 60.251 -3.695 -3.826 161 HD13 ILE 561 HD13 ILE 561 60.436 -3.005 -5.438 162 H THR 562 HN THR 562 56.221 -4.203 -1.480 163 HA THR 562 HA THR 562 53.927 -2.366 -0.928 164 HB THR 562 HB THR 562 53.949 -5.391 -0.685 165 HG1 THR 562 HG1 THR 562 53.672 -4.478 -2.806 166 HG21 THR 562 HG21 THR 562 52.599 -4.661 1.091 167 HG22 THR 562 HG22 THR 562 51.438 -4.875 -0.219 168 HG23 THR 562 HG23 THR 562 52.014 -3.260 0.194 169 H ALA 563 HN ALA 563 54.677 -1.312 0.853 170 HA ALA 563 HA ALA 563 56.244 -2.768 2.885 171 HB1 ALA 563 HB1 ALA 563 56.622 -0.599 3.875 172 HB2 ALA 563 HB2 ALA 563 55.327 0.118 2.915 173 HB3 ALA 563 HB3 ALA 563 56.809 -0.425 2.130 174 H MET 564 HN MET 564 54.763 -0.578 4.701 175 HA MET 564 HA MET 564 53.014 -2.511 5.979 176 HB2 MET 564 HB2 MET 564 53.327 0.475 6.385 177 HB3 MET 564 HB1 MET 564 52.419 -0.595 7.450 178 HG2 MET 564 HG2 MET 564 54.509 -1.928 7.810 179 HG3 MET 564 HG1 MET 564 55.390 -0.731 6.861 180 HE1 MET 564 HE1 MET 564 53.758 -1.856 9.883 181 HE2 MET 564 HE2 MET 564 52.592 -0.536 9.872 182 HE3 MET 564 HE3 MET 564 53.854 -0.576 11.100 183 H ALA 565 HN ALA 565 52.027 -2.650 3.631 184 HA ALA 565 HA ALA 565 49.954 -2.547 2.509 185 HB1 ALA 565 HB1 ALA 565 49.145 -1.805 4.957 186 HB2 ALA 565 HB2 ALA 565 48.094 -1.654 3.551 187 HB3 ALA 565 HB3 ALA 565 48.972 -0.247 4.149 188 H LYS 566 HN LYS 566 52.156 -0.052 3.084 189 HA LYS 566 HA LYS 566 51.027 1.796 1.074 190 HB2 LYS 566 HB2 LYS 566 53.168 1.871 3.116 191 HB3 LYS 566 HB1 LYS 566 53.535 2.739 1.626 192 HG2 LYS 566 HG2 LYS 566 51.392 3.967 1.825 193 HG3 LYS 566 HG1 LYS 566 51.059 3.121 3.336 194 HD2 LYS 566 HD2 LYS 566 53.583 4.734 2.915 195 HD3 LYS 566 HD1 LYS 566 52.103 5.450 3.552 196 HE2 LYS 566 HE2 LYS 566 52.896 4.790 5.578 197 HE3 LYS 566 HE1 LYS 566 52.327 3.191 5.099 198 HZ1 LYS 566 HZ1 LYS 566 54.592 3.017 5.774 199 HZ2 LYS 566 HZ2 LYS 566 55.061 4.293 4.755 200 HZ3 LYS 566 HZ3 LYS 566 54.541 2.819 4.090 201 H LYS 567 HN LYS 567 51.706 1.834 -1.041 202 HA LYS 567 HA LYS 567 53.668 -0.224 -1.856 203 HB2 LYS 567 HB2 LYS 567 51.578 1.394 -3.289 204 HB3 LYS 567 HB1 LYS 567 52.867 0.607 -4.199 205 HG2 LYS 567 HG2 LYS 567 50.820 -0.814 -3.981 206 HG3 LYS 567 HG1 LYS 567 52.258 -1.561 -3.284 207 HD2 LYS 567 HD2 LYS 567 51.564 -1.127 -1.071 208 HD3 LYS 567 HD1 LYS 567 50.412 0.110 -1.581 209 HE2 LYS 567 HE2 LYS 567 48.833 -1.444 -2.278 210 HE3 LYS 567 HE1 LYS 567 50.042 -2.694 -2.567 211 HZ1 LYS 567 HZ1 LYS 567 50.149 -3.235 -0.359 212 HZ2 LYS 567 HZ2 LYS 567 48.511 -2.803 -0.484 213 HZ3 LYS 567 HZ3 LYS 567 49.634 -1.707 0.168 214 H PHE 568 HN PHE 568 55.161 0.475 -3.701 215 HA PHE 568 HA PHE 568 56.003 3.302 -3.684 216 HB2 PHE 568 HB2 PHE 568 57.681 1.079 -2.479 217 HB3 PHE 568 HB1 PHE 568 58.377 2.594 -3.039 218 HD1 PHE 568 HD1 PHE 568 56.316 0.967 -0.475 219 HD2 PHE 568 HD2 PHE 568 57.872 4.717 -1.882 220 HE1 PHE 568 HE1 PHE 568 55.760 2.014 1.702 221 HE2 PHE 568 HE2 PHE 568 57.311 5.763 0.296 222 HZ PHE 568 HZ PHE 568 56.257 4.412 2.088 223 H HIS 569 HN HIS 569 57.063 3.753 -5.639 224 HA HIS 569 HA HIS 569 57.063 1.826 -7.743 225 HB2 HIS 569 HB2 HIS 569 58.532 4.428 -7.318 226 HB3 HIS 569 HB1 HIS 569 58.933 3.414 -8.698 227 HD2 HIS 569 HD2 HIS 569 56.370 2.754 -10.241 228 HE1 HIS 569 HE1 HIS 569 54.788 6.553 -9.291 229 HE2 HIS 569 HE2 HIS 569 54.548 4.525 -10.810 230 HA PRO 570 HA PRO 570 60.339 -0.852 -6.368 231 HB2 PRO 570 HB2 PRO 570 61.128 -1.026 -9.211 232 HB3 PRO 570 HB1 PRO 570 60.612 -2.302 -8.102 233 HG2 PRO 570 HG2 PRO 570 59.044 -1.289 -10.138 234 HG3 PRO 570 HG1 PRO 570 58.423 -2.113 -8.708 235 HD2 PRO 570 HD2 PRO 570 58.237 0.731 -9.421 236 HD3 PRO 570 HD1 PRO 570 57.342 -0.178 -8.178 237 H GLU 571 HN GLU 571 60.788 2.109 -7.940 238 HA GLU 571 HA GLU 571 63.738 2.053 -7.470 239 HB2 GLU 571 HB2 GLU 571 63.933 3.772 -9.160 240 HB3 GLU 571 HB1 GLU 571 62.974 2.453 -9.834 241 HG2 GLU 571 HG2 GLU 571 60.995 3.923 -8.722 242 HG3 GLU 571 HG1 GLU 571 62.147 5.202 -9.085 243 H HIS 572 HN HIS 572 60.753 3.360 -6.412 244 HA HIS 572 HA HIS 572 62.101 5.708 -5.152 245 HB2 HIS 572 HB2 HIS 572 59.154 5.041 -5.468 246 HB3 HIS 572 HB1 HIS 572 59.771 6.460 -4.623 247 HD2 HIS 572 HD2 HIS 572 62.245 6.675 -7.129 248 HE1 HIS 572 HE1 HIS 572 58.891 7.941 -9.350 249 HE2 HIS 572 HE2 HIS 572 61.430 7.871 -9.286 250 H PHE 573 HN PHE 573 61.136 2.549 -4.474 251 HA PHE 573 HA PHE 573 60.448 2.935 -1.668 252 HB2 PHE 573 HB2 PHE 573 59.678 0.955 -3.000 253 HB3 PHE 573 HB1 PHE 573 61.353 0.423 -3.107 254 HD1 PHE 573 HD1 PHE 573 59.208 1.806 -0.344 255 HD2 PHE 573 HD2 PHE 573 61.795 -1.354 -1.669 256 HE1 PHE 573 HE1 PHE 573 59.005 0.713 1.870 257 HE2 PHE 573 HE2 PHE 573 61.594 -2.447 0.547 258 HZ PHE 573 HZ PHE 573 60.196 -1.414 2.315 259 H VAL 574 HN VAL 574 62.237 4.176 -0.921 260 HA VAL 574 HA VAL 574 64.862 2.760 -0.924 261 HB VAL 574 HB VAL 574 65.847 4.957 -0.386 262 HG11 VAL 574 HG11 VAL 574 64.933 4.129 -2.808 263 HG12 VAL 574 HG12 VAL 574 65.829 5.629 -2.573 264 HG13 VAL 574 HG13 VAL 574 64.068 5.658 -2.657 265 HG21 VAL 574 HG21 VAL 574 62.961 5.894 -0.540 266 HG22 VAL 574 HG22 VAL 574 64.357 6.971 -0.492 267 HG23 VAL 574 HG23 VAL 574 64.001 5.929 0.885 268 H CYS 575 HN CYS 575 66.175 3.261 1.137 269 HA CYS 575 HA CYS 575 64.649 2.289 3.420 270 HB2 CYS 575 HB2 CYS 575 66.902 1.503 3.166 271 HB3 CYS 575 HB1 CYS 575 67.528 3.143 3.048 272 H ALA 576 HN ALA 576 63.753 3.516 5.023 273 HA ALA 576 HA ALA 576 63.779 6.412 4.838 274 HB1 ALA 576 HB1 ALA 576 62.540 6.261 7.040 275 HB2 ALA 576 HB2 ALA 576 62.758 4.512 6.968 276 HB3 ALA 576 HB3 ALA 576 61.812 5.336 5.729 277 H PHE 577 HN PHE 577 66.427 5.388 5.077 278 HA PHE 577 HA PHE 577 67.299 6.806 7.533 279 HB2 PHE 577 HB2 PHE 577 67.187 4.176 7.767 280 HB3 PHE 577 HB1 PHE 577 68.658 4.225 6.802 281 HD1 PHE 577 HD1 PHE 577 70.709 4.505 7.883 282 HD2 PHE 577 HD2 PHE 577 67.117 5.855 9.816 283 HE1 PHE 577 HE1 PHE 577 72.017 5.090 9.906 284 HE2 PHE 577 HE2 PHE 577 68.426 6.439 11.839 285 HZ PHE 577 HZ PHE 577 70.876 6.057 11.884 286 H CYS 578 HN CYS 578 68.673 4.851 4.883 287 HA CYS 578 HA CYS 578 70.673 6.997 4.395 288 HB2 CYS 578 HB2 CYS 578 71.571 5.201 2.754 289 HB3 CYS 578 HB1 CYS 578 71.733 4.884 4.480 290 H LEU 579 HN LEU 579 67.756 5.681 3.147 291 HA LEU 579 HA LEU 579 66.483 6.157 1.248 292 HB2 LEU 579 HB2 LEU 579 68.133 8.703 1.329 293 HB3 LEU 579 HB1 LEU 579 66.642 8.480 0.415 294 HG LEU 579 HG LEU 579 65.896 7.648 2.934 295 HD11 LEU 579 HD11 LEU 579 66.753 9.180 4.556 296 HD12 LEU 579 HD12 LEU 579 67.576 10.134 3.321 297 HD13 LEU 579 HD13 LEU 579 68.159 8.520 3.722 298 HD21 LEU 579 HD21 LEU 579 65.748 10.426 1.719 299 HD22 LEU 579 HD22 LEU 579 64.750 9.862 3.059 300 HD23 LEU 579 HD23 LEU 579 64.595 9.115 1.469 301 H LYS 580 HN LYS 580 69.360 5.003 0.961 302 HA LYS 580 HA LYS 580 70.292 5.908 -1.625 303 HB2 LYS 580 HB2 LYS 580 71.720 3.891 -1.570 304 HB3 LYS 580 HB1 LYS 580 71.785 4.752 -0.033 305 HG2 LYS 580 HG2 LYS 580 69.860 3.151 0.690 306 HG3 LYS 580 HG1 LYS 580 70.366 2.173 -0.686 307 HD2 LYS 580 HD2 LYS 580 72.730 2.915 0.708 308 HD3 LYS 580 HD1 LYS 580 71.570 2.361 1.915 309 HE2 LYS 580 HE2 LYS 580 72.752 0.412 1.174 310 HE3 LYS 580 HE1 LYS 580 71.156 0.341 0.428 311 HZ1 LYS 580 HZ1 LYS 580 72.820 1.821 -1.251 312 HZ2 LYS 580 HZ2 LYS 580 72.130 0.296 -1.542 313 HZ3 LYS 580 HZ3 LYS 580 73.666 0.414 -0.826 314 H GLN 581 HN GLN 581 68.581 2.949 -0.598 315 HA GLN 581 HA GLN 581 66.702 2.930 -2.717 316 HB2 GLN 581 HB2 GLN 581 69.249 2.185 -3.633 317 HB3 GLN 581 HB1 GLN 581 68.410 0.659 -3.378 318 HG2 GLN 581 HG2 GLN 581 66.635 2.570 -4.624 319 HG3 GLN 581 HG1 GLN 581 68.117 2.418 -5.567 320 HE21 GLN 581 HE21 GLN 581 65.261 0.703 -4.437 321 HE22 GLN 581 HE22 GLN 581 65.489 -0.684 -5.386 322 H LEU 582 HN LEU 582 65.483 0.806 -2.687 323 HA LEU 582 HA LEU 582 66.211 -1.078 -0.579 324 HB2 LEU 582 HB2 LEU 582 65.023 1.093 0.401 325 HB3 LEU 582 HB1 LEU 582 63.569 0.241 -0.112 326 HG LEU 582 HG LEU 582 64.444 -1.777 1.133 327 HD11 LEU 582 HD11 LEU 582 66.654 0.093 1.535 328 HD12 LEU 582 HD12 LEU 582 66.612 -1.655 1.756 329 HD13 LEU 582 HD13 LEU 582 66.061 -0.589 3.047 330 HD21 LEU 582 HD21 LEU 582 63.549 0.797 2.334 331 HD22 LEU 582 HD22 LEU 582 64.092 -0.458 3.448 332 HD23 LEU 582 HD23 LEU 582 62.757 -0.777 2.341 333 H ASN 583 HN ASN 583 64.726 -2.894 -0.457 334 HA ASN 583 HA ASN 583 62.631 -3.097 -2.521 335 HB2 ASN 583 HB2 ASN 583 63.635 -5.171 -3.459 336 HB3 ASN 583 HB1 ASN 583 64.651 -3.760 -3.748 337 HD21 ASN 583 HD21 ASN 583 66.523 -3.461 -2.182 338 HD22 ASN 583 HD22 ASN 583 67.220 -4.840 -1.479 339 H LYS 584 HN LYS 584 60.986 -4.345 -1.733 340 HA LYS 584 HA LYS 584 60.867 -5.260 0.922 341 HB2 LYS 584 HB2 LYS 584 58.795 -5.063 -0.174 342 HB3 LYS 584 HB1 LYS 584 59.346 -5.970 -1.578 343 HG2 LYS 584 HG2 LYS 584 57.835 -7.384 -0.328 344 HG3 LYS 584 HG1 LYS 584 59.462 -8.023 -0.122 345 HD2 LYS 584 HD2 LYS 584 58.392 -7.998 2.049 346 HD3 LYS 584 HD1 LYS 584 59.617 -6.730 2.037 347 HE2 LYS 584 HE2 LYS 584 58.048 -5.021 1.964 348 HE3 LYS 584 HE1 LYS 584 56.836 -6.030 1.178 349 HZ1 LYS 584 HZ1 LYS 584 55.954 -6.266 3.189 350 HZ2 LYS 584 HZ2 LYS 584 57.311 -5.599 3.963 351 HZ3 LYS 584 HZ3 LYS 584 57.279 -7.253 3.575 352 H GLY 585 HN GLY 585 62.227 -6.786 -1.895 353 HA2 GLY 585 HA2 GLY 585 62.256 -9.494 -1.109 354 HA3 GLY 585 HA1 GLY 585 63.468 -8.749 -2.143 355 H THR 586 HN THR 586 64.325 -6.830 -0.020 356 HA THR 586 HA THR 586 65.403 -8.663 2.053 357 HB THR 586 HB THR 586 67.728 -7.952 1.600 358 HG1 THR 586 HG1 THR 586 66.576 -6.741 -0.692 359 HG21 THR 586 HG21 THR 586 66.773 -10.014 0.540 360 HG22 THR 586 HG22 THR 586 68.075 -9.284 -0.399 361 HG23 THR 586 HG23 THR 586 66.397 -9.054 -0.891 362 H PHE 587 HN PHE 587 63.575 -6.321 2.159 363 HA PHE 587 HA PHE 587 65.328 -4.363 3.573 364 HB2 PHE 587 HB2 PHE 587 63.865 -2.713 3.014 365 HB3 PHE 587 HB1 PHE 587 63.329 -3.840 1.784 366 HD1 PHE 587 HD1 PHE 587 62.139 -1.683 4.175 367 HD2 PHE 587 HD2 PHE 587 61.658 -5.763 2.918 368 HE1 PHE 587 HE1 PHE 587 59.894 -1.741 5.223 369 HE2 PHE 587 HE2 PHE 587 59.414 -5.819 3.970 370 HZ PHE 587 HZ PHE 587 58.531 -3.809 5.122 371 H LYS 588 HN LYS 588 64.055 -3.310 5.455 372 HA LYS 588 HA LYS 588 62.540 -5.267 7.082 373 HB2 LYS 588 HB2 LYS 588 65.197 -4.018 7.793 374 HB3 LYS 588 HB1 LYS 588 64.053 -4.459 9.057 375 HG2 LYS 588 HG2 LYS 588 64.980 -6.404 6.925 376 HG3 LYS 588 HG1 LYS 588 65.784 -6.232 8.484 377 HD2 LYS 588 HD2 LYS 588 64.287 -7.670 9.352 378 HD3 LYS 588 HD1 LYS 588 63.040 -6.451 9.090 379 HE2 LYS 588 HE2 LYS 588 62.539 -7.330 6.902 380 HE3 LYS 588 HE1 LYS 588 63.929 -8.411 6.958 381 HZ1 LYS 588 HZ1 LYS 588 61.627 -9.346 7.525 382 HZ2 LYS 588 HZ2 LYS 588 61.824 -8.558 9.017 383 HZ3 LYS 588 HZ3 LYS 588 62.929 -9.754 8.533 384 H GLU 589 HN GLU 589 61.693 -3.969 9.117 385 HA GLU 589 HA GLU 589 61.471 -1.080 8.476 386 HB2 GLU 589 HB2 GLU 589 59.166 -1.032 8.328 387 HB3 GLU 589 HB1 GLU 589 59.486 -2.611 7.611 388 HG2 GLU 589 HG2 GLU 589 59.229 -3.551 9.996 389 HG3 GLU 589 HG1 GLU 589 58.534 -1.984 10.411 390 H GLN 590 HN GLN 590 60.907 0.228 10.239 391 HA GLN 590 HA GLN 590 60.535 -0.933 12.903 392 HB2 GLN 590 HB2 GLN 590 63.058 -0.925 12.418 393 HB3 GLN 590 HB1 GLN 590 62.945 0.832 12.409 394 HG2 GLN 590 HG2 GLN 590 63.563 0.246 14.631 395 HG3 GLN 590 HG1 GLN 590 61.848 0.643 14.709 396 HE21 GLN 590 HE21 GLN 590 63.266 -2.386 13.429 397 HE22 GLN 590 HE22 GLN 590 62.550 -3.398 14.589 398 H ASN 591 HN ASN 591 59.744 0.686 14.361 399 HA ASN 591 HA ASN 591 58.534 2.629 14.867 400 HB2 ASN 591 HB2 ASN 591 60.836 3.679 13.219 401 HB3 ASN 591 HB1 ASN 591 59.626 4.760 13.903 402 HD21 ASN 591 HD21 ASN 591 62.601 3.379 14.570 403 HD22 ASN 591 HD22 ASN 591 62.569 3.473 16.264 404 H ASP 592 HN ASP 592 57.992 1.094 12.222 405 HA ASP 592 HA ASP 592 56.228 1.282 10.667 406 HB2 ASP 592 HB2 ASP 592 55.430 3.087 12.469 407 HB3 ASP 592 HB1 ASP 592 55.868 4.204 11.174 408 H LYS 593 HN LYS 593 59.045 1.796 10.060 409 HA LYS 593 HA LYS 593 58.610 3.217 7.510 410 HB2 LYS 593 HB2 LYS 593 61.130 4.162 8.313 411 HB3 LYS 593 HB1 LYS 593 59.648 5.100 8.169 412 HG2 LYS 593 HG2 LYS 593 59.152 4.184 10.583 413 HG3 LYS 593 HG1 LYS 593 60.887 3.896 10.625 414 HD2 LYS 593 HD2 LYS 593 60.589 6.081 11.521 415 HD3 LYS 593 HD1 LYS 593 61.165 6.325 9.873 416 HE2 LYS 593 HE2 LYS 593 59.187 7.773 10.554 417 HE3 LYS 593 HE1 LYS 593 58.956 6.832 9.081 418 HZ1 LYS 593 HZ1 LYS 593 58.184 5.569 11.595 419 HZ2 LYS 593 HZ2 LYS 593 57.454 5.479 10.063 420 HZ3 LYS 593 HZ3 LYS 593 57.204 6.841 11.048 421 HA PRO 594 HA PRO 594 61.157 -0.060 6.024 422 HB2 PRO 594 HB2 PRO 594 62.323 1.205 3.879 423 HB3 PRO 594 HB1 PRO 594 60.668 0.589 3.900 424 HG2 PRO 594 HG2 PRO 594 61.646 3.388 4.159 425 HG3 PRO 594 HG1 PRO 594 60.163 2.781 3.420 426 HD2 PRO 594 HD2 PRO 594 60.276 3.984 5.919 427 HD3 PRO 594 HD1 PRO 594 58.996 2.853 5.412 428 H TYR 595 HN TYR 595 63.283 -0.801 5.864 429 HA TYR 595 HA TYR 595 65.590 0.955 6.214 430 HB2 TYR 595 HB2 TYR 595 64.656 -0.879 8.452 431 HB3 TYR 595 HB1 TYR 595 66.292 -0.239 8.348 432 HD1 TYR 595 HD1 TYR 595 63.080 0.322 9.674 433 HD2 TYR 595 HD2 TYR 595 66.425 2.393 7.960 434 HE1 TYR 595 HE1 TYR 595 62.328 2.426 10.743 435 HE2 TYR 595 HE2 TYR 595 65.668 4.500 9.031 436 HH TYR 595 HH TYR 595 63.743 5.496 9.960 437 H CYS 596 HN CYS 596 67.171 -0.082 5.000 438 HA CYS 596 HA CYS 596 66.825 -2.611 3.812 439 HB2 CYS 596 HB2 CYS 596 69.619 -1.876 4.539 440 HB3 CYS 596 HB1 CYS 596 68.960 -2.373 2.983 441 H GLN 597 HN GLN 597 67.428 -4.708 4.434 442 HA GLN 597 HA GLN 597 67.215 -5.455 7.124 443 HB2 GLN 597 HB2 GLN 597 67.100 -7.357 5.867 444 HB3 GLN 597 HB1 GLN 597 68.155 -6.690 4.628 445 HG2 GLN 597 HG2 GLN 597 69.236 -8.620 5.670 446 HG3 GLN 597 HG1 GLN 597 70.123 -7.156 6.078 447 HE21 GLN 597 HE21 GLN 597 67.117 -7.370 7.750 448 HE22 GLN 597 HE22 GLN 597 67.725 -7.935 9.229 449 H ASN 598 HN ASN 598 70.076 -4.529 5.275 450 HA ASN 598 HA ASN 598 72.007 -5.085 7.337 451 HB2 ASN 598 HB2 ASN 598 72.694 -4.735 5.002 452 HB3 ASN 598 HB1 ASN 598 72.081 -3.082 5.054 453 HD21 ASN 598 HD21 ASN 598 74.515 -5.229 6.600 454 HD22 ASN 598 HD22 ASN 598 75.586 -3.977 7.007 455 H CYS 599 HN CYS 599 70.036 -2.269 6.486 456 HA CYS 599 HA CYS 599 71.167 -0.497 8.473 457 HB2 CYS 599 HB2 CYS 599 68.658 -0.521 6.813 458 HB3 CYS 599 HB1 CYS 599 68.766 0.587 8.175 459 H PHE 600 HN PHE 600 68.025 -2.237 8.387 460 HA PHE 600 HA PHE 600 67.224 -1.856 11.054 461 HB2 PHE 600 HB2 PHE 600 65.741 -2.983 9.542 462 HB3 PHE 600 HB1 PHE 600 66.936 -4.220 9.178 463 HD1 PHE 600 HD1 PHE 600 64.336 -3.127 11.495 464 HD2 PHE 600 HD2 PHE 600 67.523 -5.944 10.885 465 HE1 PHE 600 HE1 PHE 600 63.427 -4.554 13.308 466 HE2 PHE 600 HE2 PHE 600 66.615 -7.365 12.702 467 HZ PHE 600 HZ PHE 600 64.566 -6.670 13.912 468 H LEU 601 HN LEU 601 69.370 -4.321 9.697 469 HA LEU 601 HA LEU 601 70.000 -5.708 12.106 470 HB2 LEU 601 HB2 LEU 601 70.558 -6.572 9.884 471 HB3 LEU 601 HB1 LEU 601 71.624 -5.204 9.593 472 HG LEU 601 HG LEU 601 72.895 -5.993 11.705 473 HD11 LEU 601 HD11 LEU 601 71.167 -7.557 12.501 474 HD12 LEU 601 HD12 LEU 601 72.663 -8.422 12.150 475 HD13 LEU 601 HD13 LEU 601 71.316 -8.492 11.013 476 HD21 LEU 601 HD21 LEU 601 74.004 -7.849 10.278 477 HD22 LEU 601 HD22 LEU 601 73.970 -6.217 9.610 478 HD23 LEU 601 HD23 LEU 601 72.812 -7.422 9.048 479 H LYS 602 HN LYS 602 70.993 -2.666 10.780 480 HA LYS 602 HA LYS 602 73.239 -2.298 12.655 481 HB2 LYS 602 HB2 LYS 602 72.699 -1.358 10.120 482 HB3 LYS 602 HB1 LYS 602 72.267 0.022 11.119 483 HG2 LYS 602 HG2 LYS 602 74.565 0.317 10.664 484 HG3 LYS 602 HG1 LYS 602 74.517 -0.338 12.301 485 HD2 LYS 602 HD2 LYS 602 76.194 -1.610 11.194 486 HD3 LYS 602 HD1 LYS 602 74.773 -2.654 11.204 487 HE2 LYS 602 HE2 LYS 602 74.352 -2.329 8.928 488 HE3 LYS 602 HE1 LYS 602 75.238 -0.805 8.879 489 HZ1 LYS 602 HZ1 LYS 602 76.566 -2.438 7.821 490 HZ2 LYS 602 HZ2 LYS 602 76.364 -3.540 9.099 491 HZ3 LYS 602 HZ3 LYS 602 77.283 -2.130 9.327 492 H LEU 603 HN LEU 603 69.942 -1.089 12.125 493 HA LEU 603 HA LEU 603 70.125 0.771 14.386 494 HB2 LEU 603 HB2 LEU 603 67.534 -0.006 13.078 495 HB3 LEU 603 HB1 LEU 603 68.017 1.547 13.741 496 HG LEU 603 HG LEU 603 68.981 0.293 11.166 497 HD11 LEU 603 HD11 LEU 603 67.460 2.844 11.755 498 HD12 LEU 603 HD12 LEU 603 66.771 1.373 11.066 499 HD13 LEU 603 HD13 LEU 603 67.966 2.298 10.156 500 HD21 LEU 603 HD21 LEU 603 69.915 2.777 12.626 501 HD22 LEU 603 HD22 LEU 603 70.238 2.483 10.917 502 HD23 LEU 603 HD23 LEU 603 70.893 1.392 12.138 503 H PHE 604 HN PHE 604 68.068 -2.045 13.626 504 HA PHE 604 HA PHE 604 67.109 -2.291 16.339 505 HB2 PHE 604 HB2 PHE 604 66.053 -3.141 14.110 506 HB3 PHE 604 HB1 PHE 604 67.085 -4.549 14.352 507 HD1 PHE 604 HD1 PHE 604 66.431 -6.268 15.827 508 HD2 PHE 604 HD2 PHE 604 64.541 -2.419 16.083 509 HE1 PHE 604 HE1 PHE 604 64.809 -7.173 17.470 510 HE2 PHE 604 HE2 PHE 604 62.920 -3.324 17.727 511 HZ PHE 604 HZ PHE 604 63.054 -5.701 18.420 512 H CYS 605 HN CYS 605 69.956 -3.373 14.704 513 HA CYS 605 HA CYS 605 70.768 -4.810 17.178 514 HB2 CYS 605 HB2 CYS 605 69.810 -6.359 15.273 515 HB3 CYS 605 HB1 CYS 605 71.384 -6.086 14.528 516 HG CYS 605 HG CYS 605 72.345 -6.920 16.988 Start of MODEL 8 1 H TYR 541 HT1 TYR 541 37.125 -1.700 -9.552 2 HA TYR 541 HA TYR 541 35.787 -1.408 -11.544 3 HB2 TYR 541 HB2 TYR 541 36.602 1.498 -11.214 4 HB3 TYR 541 HB1 TYR 541 35.759 0.830 -12.611 5 HD1 TYR 541 HD1 TYR 541 35.425 2.089 -9.234 6 HD2 TYR 541 HD2 TYR 541 33.473 -0.226 -12.282 7 HE1 TYR 541 HE1 TYR 541 33.256 2.377 -8.066 8 HE2 TYR 541 HE2 TYR 541 31.306 0.062 -11.113 9 HH TYR 541 HH TYR 541 30.830 0.667 -8.251 10 H HIS 542 HN HIS 542 37.461 -2.769 -12.260 11 HA HIS 542 HA HIS 542 39.501 -3.374 -13.237 12 HB2 HIS 542 HB2 HIS 542 39.936 -0.845 -14.633 13 HB3 HIS 542 HB1 HIS 542 39.592 -2.444 -15.285 14 HD1 HIS 542 HD1 HIS 542 38.053 0.824 -14.654 15 HD2 HIS 542 HD2 HIS 542 36.702 -3.063 -15.319 16 HE1 HIS 542 HE1 HIS 542 35.596 1.010 -15.240 17 H GLU 543 HN GLU 543 41.639 -1.553 -14.047 18 HA GLU 543 HA GLU 543 43.079 -1.416 -11.555 19 HB2 GLU 543 HB2 GLU 543 43.656 -0.205 -14.276 20 HB3 GLU 543 HB1 GLU 543 44.791 -0.184 -12.926 21 HG2 GLU 543 HG2 GLU 543 45.015 -2.546 -12.930 22 HG3 GLU 543 HG1 GLU 543 43.575 -2.762 -13.926 23 H ARG 544 HN ARG 544 41.655 1.079 -13.662 24 HA ARG 544 HA ARG 544 40.926 3.250 -13.185 25 HB2 ARG 544 HB2 ARG 544 40.018 1.851 -11.103 26 HB3 ARG 544 HB1 ARG 544 41.209 2.813 -10.236 27 HG2 ARG 544 HG2 ARG 544 39.340 4.199 -10.117 28 HG3 ARG 544 HG1 ARG 544 40.136 4.820 -11.563 29 HD2 ARG 544 HD2 ARG 544 38.438 4.156 -12.899 30 HD3 ARG 544 HD1 ARG 544 38.377 2.563 -12.150 31 HE ARG 544 HE ARG 544 37.234 4.257 -10.261 32 HH11 ARG 544 HH11 ARG 544 35.022 4.683 -10.189 33 HH12 ARG 544 HH12 ARG 544 34.067 4.490 -11.620 34 HH21 ARG 544 HH21 ARG 544 36.733 3.488 -13.589 35 HH22 ARG 544 HH22 ARG 544 35.033 3.815 -13.541 36 H ARG 545 HN ARG 545 43.044 2.717 -10.359 37 HA ARG 545 HA ARG 545 44.857 4.830 -11.455 38 HB2 ARG 545 HB2 ARG 545 44.537 4.306 -8.511 39 HB3 ARG 545 HB1 ARG 545 45.105 5.765 -9.322 40 HG2 ARG 545 HG2 ARG 545 42.744 5.901 -10.336 41 HG3 ARG 545 HG1 ARG 545 42.283 4.726 -9.107 42 HD2 ARG 545 HD2 ARG 545 43.349 6.302 -7.406 43 HD3 ARG 545 HD1 ARG 545 43.405 7.501 -8.691 44 HE ARG 545 HE ARG 545 41.131 6.902 -7.093 45 HH11 ARG 545 HH11 ARG 545 39.012 7.231 -7.737 46 HH12 ARG 545 HH12 ARG 545 38.655 7.496 -9.410 47 HH21 ARG 545 HH21 ARG 545 41.950 7.273 -10.433 48 HH22 ARG 545 HH22 ARG 545 40.310 7.511 -10.930 49 H GLY 546 HN GLY 546 44.808 2.253 -8.977 50 HA2 GLY 546 HA2 GLY 546 46.335 0.281 -9.435 51 HA3 GLY 546 HA1 GLY 546 47.549 1.478 -9.892 52 H SER 547 HN SER 547 48.579 2.689 -8.260 53 HA SER 547 HA SER 547 47.817 2.540 -5.471 54 HB2 SER 547 HB2 SER 547 49.526 0.439 -6.541 55 HB3 SER 547 HB1 SER 547 50.360 1.360 -5.294 56 HG SER 547 HG SER 547 47.756 0.237 -5.077 57 H LEU 548 HN LEU 548 48.475 4.520 -4.773 58 HA LEU 548 HA LEU 548 50.412 6.079 -6.232 59 HB2 LEU 548 HB2 LEU 548 48.877 6.446 -3.683 60 HB3 LEU 548 HB1 LEU 548 50.235 7.513 -4.021 61 HG LEU 548 HG LEU 548 49.245 8.188 -6.141 62 HD11 LEU 548 HD11 LEU 548 48.161 6.221 -6.912 63 HD12 LEU 548 HD12 LEU 548 46.859 7.371 -6.610 64 HD13 LEU 548 HD13 LEU 548 47.189 6.087 -5.446 65 HD21 LEU 548 HD21 LEU 548 47.155 8.243 -3.942 66 HD22 LEU 548 HD22 LEU 548 47.274 9.365 -5.297 67 HD23 LEU 548 HD23 LEU 548 48.524 9.349 -4.054 68 H CYS 549 HN CYS 549 52.562 6.391 -5.838 69 HA CYS 549 HA CYS 549 53.930 4.525 -4.055 70 HB2 CYS 549 HB2 CYS 549 55.291 4.870 -5.876 71 HB3 CYS 549 HB1 CYS 549 54.692 6.503 -6.145 72 H SER 550 HN SER 550 53.893 5.000 -1.901 73 HA SER 550 HA SER 550 53.273 7.485 -0.767 74 HB2 SER 550 HB2 SER 550 55.157 5.408 0.381 75 HB3 SER 550 HB1 SER 550 54.358 6.684 1.292 76 HG SER 550 HG SER 550 53.331 4.347 0.154 77 H GLY 551 HN GLY 551 54.272 9.326 -1.215 78 HA2 GLY 551 HA2 GLY 551 56.390 10.644 -0.694 79 HA3 GLY 551 HA1 GLY 551 57.247 9.349 -1.545 80 H CYS 552 HN CYS 552 55.070 8.997 -3.488 81 HA CYS 552 HA CYS 552 55.642 11.369 -5.219 82 HB2 CYS 552 HB2 CYS 552 55.222 8.456 -5.715 83 HB3 CYS 552 HB1 CYS 552 54.627 9.575 -6.940 84 H GLN 553 HN GLN 553 53.115 9.417 -3.773 85 HA GLN 553 HA GLN 553 50.795 9.690 -3.690 86 HB2 GLN 553 HB2 GLN 553 51.622 12.527 -4.384 87 HB3 GLN 553 HB1 GLN 553 49.969 12.062 -3.985 88 HG2 GLN 553 HG2 GLN 553 50.882 12.794 -1.927 89 HG3 GLN 553 HG1 GLN 553 50.960 11.037 -1.837 90 HE21 GLN 553 HE21 GLN 553 52.878 10.644 -0.687 91 HE22 GLN 553 HE22 GLN 553 54.393 11.289 -1.101 92 H LYS 554 HN LYS 554 52.171 8.905 -6.174 93 HA LYS 554 HA LYS 554 49.966 9.530 -8.082 94 HB2 LYS 554 HB2 LYS 554 52.947 9.498 -8.665 95 HB3 LYS 554 HB1 LYS 554 51.706 9.487 -9.918 96 HG2 LYS 554 HG2 LYS 554 51.942 11.627 -7.781 97 HG3 LYS 554 HG1 LYS 554 52.595 11.781 -9.411 98 HD2 LYS 554 HD2 LYS 554 50.178 11.188 -10.186 99 HD3 LYS 554 HD1 LYS 554 49.715 11.628 -8.542 100 HE2 LYS 554 HE2 LYS 554 50.824 13.834 -8.845 101 HE3 LYS 554 HE1 LYS 554 51.199 13.395 -10.511 102 HZ1 LYS 554 HZ1 LYS 554 49.205 14.672 -10.503 103 HZ2 LYS 554 HZ2 LYS 554 48.505 13.694 -9.302 104 HZ3 LYS 554 HZ3 LYS 554 48.782 13.068 -10.857 105 HA PRO 555 HA PRO 555 49.502 5.147 -8.255 106 HB2 PRO 555 HB2 PRO 555 49.369 5.388 -11.186 107 HB3 PRO 555 HB1 PRO 555 48.168 4.772 -10.045 108 HG2 PRO 555 HG2 PRO 555 48.061 7.241 -11.330 109 HG3 PRO 555 HG1 PRO 555 47.130 6.794 -9.899 110 HD2 PRO 555 HD2 PRO 555 49.314 8.711 -10.108 111 HD3 PRO 555 HD1 PRO 555 48.278 8.361 -8.701 112 H ILE 556 HN ILE 556 50.636 3.275 -8.815 113 HA ILE 556 HA ILE 556 53.377 3.744 -9.887 114 HB ILE 556 HB ILE 556 52.215 1.612 -8.073 115 HG12 ILE 556 HG12 ILE 556 54.504 3.472 -7.451 116 HG13 ILE 556 HG11 ILE 556 52.846 4.046 -7.302 117 HG21 ILE 556 HG21 ILE 556 54.931 1.863 -9.386 118 HG22 ILE 556 HG22 ILE 556 53.849 0.472 -9.379 119 HG23 ILE 556 HG23 ILE 556 54.696 0.937 -7.904 120 HD11 ILE 556 HD11 ILE 556 52.750 1.590 -6.029 121 HD12 ILE 556 HD12 ILE 556 52.898 3.151 -5.223 122 HD13 ILE 556 HD13 ILE 556 54.341 2.202 -5.578 123 H THR 557 HN THR 557 52.980 3.487 -12.105 124 HA THR 557 HA THR 557 51.416 1.227 -13.103 125 HB THR 557 HB THR 557 52.219 2.079 -15.349 126 HG1 THR 557 HG1 THR 557 54.155 3.002 -14.638 127 HG21 THR 557 HG21 THR 557 50.111 2.885 -14.576 128 HG22 THR 557 HG22 THR 557 51.009 4.317 -15.080 129 HG23 THR 557 HG23 THR 557 50.868 3.922 -13.367 130 H GLY 558 HN GLY 558 52.435 -0.678 -12.543 131 HA2 GLY 558 HA2 GLY 558 54.025 -2.232 -13.861 132 HA3 GLY 558 HA1 GLY 558 55.267 -1.060 -13.406 133 H ARG 559 HN ARG 559 56.411 -2.613 -12.103 134 HA ARG 559 HA ARG 559 55.189 -4.179 -10.046 135 HB2 ARG 559 HB2 ARG 559 57.980 -3.163 -10.550 136 HB3 ARG 559 HB1 ARG 559 57.602 -3.950 -9.019 137 HG2 ARG 559 HG2 ARG 559 56.582 -5.378 -11.388 138 HG3 ARG 559 HG1 ARG 559 58.341 -5.279 -11.307 139 HD2 ARG 559 HD2 ARG 559 58.360 -6.273 -9.100 140 HD3 ARG 559 HD1 ARG 559 56.599 -6.206 -9.006 141 HE ARG 559 HE ARG 559 57.090 -7.723 -11.277 142 HH11 ARG 559 HH11 ARG 559 57.291 -9.966 -11.229 143 HH12 ARG 559 HH12 ARG 559 57.775 -10.751 -9.764 144 HH21 ARG 559 HH21 ARG 559 58.045 -7.808 -7.959 145 HH22 ARG 559 HH22 ARG 559 58.202 -9.531 -7.916 146 H CYS 560 HN CYS 560 55.324 -3.735 -7.681 147 HA CYS 560 HA CYS 560 55.689 -0.923 -6.897 148 HB2 CYS 560 HB2 CYS 560 53.437 -0.576 -6.116 149 HB3 CYS 560 HB1 CYS 560 53.336 -1.095 -7.798 150 HG CYS 560 HG CYS 560 53.154 -3.539 -6.095 151 H ILE 561 HN ILE 561 56.280 -0.764 -4.795 152 HA ILE 561 HA ILE 561 56.517 -3.285 -3.263 153 HB ILE 561 HB ILE 561 57.476 -0.607 -2.285 154 HG12 ILE 561 HG12 ILE 561 58.180 -0.778 -4.666 155 HG13 ILE 561 HG11 ILE 561 59.552 -0.887 -3.571 156 HG21 ILE 561 HG21 ILE 561 57.919 -2.247 -0.698 157 HG22 ILE 561 HG22 ILE 561 59.409 -2.283 -1.642 158 HG23 ILE 561 HG23 ILE 561 58.166 -3.502 -1.913 159 HD11 ILE 561 HD11 ILE 561 59.780 -2.606 -5.272 160 HD12 ILE 561 HD12 ILE 561 58.151 -3.197 -4.946 161 HD13 ILE 561 HD13 ILE 561 59.417 -3.386 -3.733 162 H THR 562 HN THR 562 55.631 -3.514 -1.156 163 HA THR 562 HA THR 562 53.600 -1.459 -0.383 164 HB THR 562 HB THR 562 53.308 -4.477 -0.236 165 HG1 THR 562 HG1 THR 562 52.397 -4.227 -2.092 166 HG21 THR 562 HG21 THR 562 51.704 -2.185 0.865 167 HG22 THR 562 HG22 THR 562 52.143 -3.707 1.639 168 HG23 THR 562 HG23 THR 562 50.892 -3.679 0.397 169 H ALA 563 HN ALA 563 54.558 -0.560 1.377 170 HA ALA 563 HA ALA 563 56.077 -2.252 3.262 171 HB1 ALA 563 HB1 ALA 563 56.882 0.023 2.534 172 HB2 ALA 563 HB2 ALA 563 56.761 -0.169 4.283 173 HB3 ALA 563 HB3 ALA 563 55.517 0.722 3.404 174 H MET 564 HN MET 564 54.985 0.041 5.220 175 HA MET 564 HA MET 564 53.094 -1.706 6.563 176 HB2 MET 564 HB2 MET 564 53.784 1.211 7.013 177 HB3 MET 564 HB1 MET 564 52.829 0.220 8.114 178 HG2 MET 564 HG2 MET 564 54.755 -1.335 8.351 179 HG3 MET 564 HG1 MET 564 55.709 -0.285 7.305 180 HE1 MET 564 HE1 MET 564 54.810 0.032 11.686 181 HE2 MET 564 HE2 MET 564 54.605 -1.291 10.542 182 HE3 MET 564 HE3 MET 564 53.387 -0.022 10.637 183 H ALA 565 HN ALA 565 51.955 -1.655 4.276 184 HA ALA 565 HA ALA 565 49.847 -1.268 3.290 185 HB1 ALA 565 HB1 ALA 565 48.173 -0.197 4.471 186 HB2 ALA 565 HB2 ALA 565 49.249 1.073 5.052 187 HB3 ALA 565 HB3 ALA 565 49.281 -0.522 5.804 188 H LYS 566 HN LYS 566 52.364 0.924 3.786 189 HA LYS 566 HA LYS 566 51.345 2.963 1.904 190 HB2 LYS 566 HB2 LYS 566 53.593 2.715 3.813 191 HB3 LYS 566 HB1 LYS 566 53.978 3.582 2.327 192 HG2 LYS 566 HG2 LYS 566 52.005 5.045 2.686 193 HG3 LYS 566 HG1 LYS 566 51.672 4.201 4.199 194 HD2 LYS 566 HD2 LYS 566 54.337 5.520 3.642 195 HD3 LYS 566 HD1 LYS 566 52.995 6.386 4.391 196 HE2 LYS 566 HE2 LYS 566 53.805 5.578 6.352 197 HE3 LYS 566 HE1 LYS 566 53.067 4.053 5.861 198 HZ1 LYS 566 HZ1 LYS 566 55.323 3.622 6.386 199 HZ2 LYS 566 HZ2 LYS 566 55.872 4.917 5.432 200 HZ3 LYS 566 HZ3 LYS 566 55.192 3.545 4.697 201 H LYS 567 HN LYS 567 51.902 2.997 -0.249 202 HA LYS 567 HA LYS 567 53.561 0.755 -1.238 203 HB2 LYS 567 HB2 LYS 567 51.588 2.643 -2.498 204 HB3 LYS 567 HB1 LYS 567 52.723 1.746 -3.505 205 HG2 LYS 567 HG2 LYS 567 50.548 0.553 -3.202 206 HG3 LYS 567 HG1 LYS 567 51.927 -0.369 -2.600 207 HD2 LYS 567 HD2 LYS 567 51.404 0.083 -0.344 208 HD3 LYS 567 HD1 LYS 567 50.371 1.451 -0.765 209 HE2 LYS 567 HE2 LYS 567 48.599 0.094 -1.419 210 HE3 LYS 567 HE1 LYS 567 49.649 -1.277 -1.773 211 HZ1 LYS 567 HZ1 LYS 567 49.818 -1.836 0.435 212 HZ2 LYS 567 HZ2 LYS 567 48.215 -1.280 0.363 213 HZ3 LYS 567 HZ3 LYS 567 49.438 -0.277 0.985 214 H PHE 568 HN PHE 568 55.012 1.340 -3.154 215 HA PHE 568 HA PHE 568 56.169 4.052 -3.126 216 HB2 PHE 568 HB2 PHE 568 57.659 1.625 -2.077 217 HB3 PHE 568 HB1 PHE 568 58.480 3.075 -2.637 218 HD1 PHE 568 HD1 PHE 568 58.283 5.195 -1.390 219 HD2 PHE 568 HD2 PHE 568 56.402 1.591 0.002 220 HE1 PHE 568 HE1 PHE 568 57.978 6.216 0.850 221 HE2 PHE 568 HE2 PHE 568 56.092 2.616 2.237 222 HZ PHE 568 HZ PHE 568 56.882 4.927 2.663 223 H HIS 569 HN HIS 569 57.141 4.434 -5.139 224 HA HIS 569 HA HIS 569 56.825 2.556 -7.266 225 HB2 HIS 569 HB2 HIS 569 58.558 5.000 -6.899 226 HB3 HIS 569 HB1 HIS 569 58.768 3.982 -8.319 227 HD2 HIS 569 HD2 HIS 569 56.048 3.596 -9.683 228 HE1 HIS 569 HE1 HIS 569 54.916 7.513 -8.583 229 HE2 HIS 569 HE2 HIS 569 54.373 5.545 -10.104 230 HA PRO 570 HA PRO 570 59.902 -0.455 -6.137 231 HB2 PRO 570 HB2 PRO 570 60.492 -0.602 -9.036 232 HB3 PRO 570 HB1 PRO 570 59.969 -1.873 -7.924 233 HG2 PRO 570 HG2 PRO 570 58.321 -0.726 -9.799 234 HG3 PRO 570 HG1 PRO 570 57.752 -1.482 -8.310 235 HD2 PRO 570 HD2 PRO 570 57.796 1.375 -9.035 236 HD3 PRO 570 HD1 PRO 570 56.883 0.553 -7.744 237 H GLU 571 HN GLU 571 60.565 2.481 -7.713 238 HA GLU 571 HA GLU 571 63.512 2.115 -7.371 239 HB2 GLU 571 HB2 GLU 571 63.754 3.981 -8.978 240 HB3 GLU 571 HB1 GLU 571 62.852 2.640 -9.685 241 HG2 GLU 571 HG2 GLU 571 60.741 3.767 -9.263 242 HG3 GLU 571 HG1 GLU 571 61.561 5.061 -8.396 243 H HIS 572 HN HIS 572 60.725 3.710 -6.165 244 HA HIS 572 HA HIS 572 62.363 5.880 -4.942 245 HB2 HIS 572 HB2 HIS 572 59.354 5.502 -5.088 246 HB3 HIS 572 HB1 HIS 572 60.153 6.839 -4.262 247 HD2 HIS 572 HD2 HIS 572 62.484 6.860 -6.915 248 HE1 HIS 572 HE1 HIS 572 59.143 8.491 -8.905 249 HE2 HIS 572 HE2 HIS 572 61.661 8.169 -9.002 250 H PHE 573 HN PHE 573 61.117 2.816 -4.253 251 HA PHE 573 HA PHE 573 60.662 3.207 -1.400 252 HB2 PHE 573 HB2 PHE 573 59.601 1.347 -2.702 253 HB3 PHE 573 HB1 PHE 573 61.199 0.652 -2.945 254 HD1 PHE 573 HD1 PHE 573 61.583 -1.186 -1.572 255 HD2 PHE 573 HD2 PHE 573 59.393 2.159 -0.009 256 HE1 PHE 573 HE1 PHE 573 61.433 -2.314 0.631 257 HE2 PHE 573 HE2 PHE 573 59.241 1.033 2.192 258 HZ PHE 573 HZ PHE 573 60.259 -1.204 2.512 259 H VAL 574 HN VAL 574 62.627 4.250 -0.781 260 HA VAL 574 HA VAL 574 65.076 2.561 -0.976 261 HB VAL 574 HB VAL 574 66.325 4.637 -0.493 262 HG11 VAL 574 HG11 VAL 574 64.530 5.591 -2.637 263 HG12 VAL 574 HG12 VAL 574 65.111 3.940 -2.851 264 HG13 VAL 574 HG13 VAL 574 66.262 5.265 -2.681 265 HG21 VAL 574 HG21 VAL 574 63.552 5.878 -0.467 266 HG22 VAL 574 HG22 VAL 574 65.058 6.796 -0.492 267 HG23 VAL 574 HG23 VAL 574 64.667 5.781 0.896 268 H CYS 575 HN CYS 575 66.577 2.881 0.984 269 HA CYS 575 HA CYS 575 65.137 2.037 3.365 270 HB2 CYS 575 HB2 CYS 575 67.289 1.060 2.948 271 HB3 CYS 575 HB1 CYS 575 68.047 2.641 2.790 272 H ALA 576 HN ALA 576 64.451 3.323 5.023 273 HA ALA 576 HA ALA 576 64.719 6.206 4.855 274 HB1 ALA 576 HB1 ALA 576 63.683 4.381 7.041 275 HB2 ALA 576 HB2 ALA 576 62.729 5.287 5.867 276 HB3 ALA 576 HB3 ALA 576 63.616 6.141 7.129 277 H PHE 577 HN PHE 577 67.279 4.932 4.929 278 HA PHE 577 HA PHE 577 68.421 6.262 7.325 279 HB2 PHE 577 HB2 PHE 577 68.103 3.647 7.550 280 HB3 PHE 577 HB1 PHE 577 69.517 3.587 6.502 281 HD1 PHE 577 HD1 PHE 577 71.664 3.800 7.423 282 HD2 PHE 577 HD2 PHE 577 68.264 5.196 9.650 283 HE1 PHE 577 HE1 PHE 577 73.127 4.261 9.371 284 HE2 PHE 577 HE2 PHE 577 69.729 5.656 11.596 285 HZ PHE 577 HZ PHE 577 72.160 5.188 11.457 286 H CYS 578 HN CYS 578 69.451 4.227 4.582 287 HA CYS 578 HA CYS 578 71.596 6.196 3.979 288 HB2 CYS 578 HB2 CYS 578 72.255 4.367 2.289 289 HB3 CYS 578 HB1 CYS 578 72.435 3.970 3.996 290 H LEU 579 HN LEU 579 68.499 5.157 2.916 291 HA LEU 579 HA LEU 579 67.151 5.767 1.110 292 HB2 LEU 579 HB2 LEU 579 69.012 8.165 1.105 293 HB3 LEU 579 HB1 LEU 579 67.449 8.081 0.294 294 HG LEU 579 HG LEU 579 66.812 7.275 2.853 295 HD11 LEU 579 HD11 LEU 579 68.707 9.614 3.146 296 HD12 LEU 579 HD12 LEU 579 69.192 7.953 3.481 297 HD13 LEU 579 HD13 LEU 579 67.905 8.703 4.425 298 HD21 LEU 579 HD21 LEU 579 65.537 8.864 1.495 299 HD22 LEU 579 HD22 LEU 579 66.809 10.073 1.674 300 HD23 LEU 579 HD23 LEU 579 65.864 9.573 3.077 301 H LYS 580 HN LYS 580 69.895 4.382 0.623 302 HA LYS 580 HA LYS 580 70.746 5.245 -2.001 303 HB2 LYS 580 HB2 LYS 580 71.976 3.104 -2.069 304 HB3 LYS 580 HB1 LYS 580 72.207 3.909 -0.518 305 HG2 LYS 580 HG2 LYS 580 70.193 2.482 0.289 306 HG3 LYS 580 HG1 LYS 580 70.492 1.508 -1.149 307 HD2 LYS 580 HD2 LYS 580 73.022 1.900 0.031 308 HD3 LYS 580 HD1 LYS 580 71.927 1.531 1.363 309 HE2 LYS 580 HE2 LYS 580 72.789 -0.564 0.517 310 HE3 LYS 580 HE1 LYS 580 71.096 -0.443 0.038 311 HZ1 LYS 580 HZ1 LYS 580 71.657 -0.450 -2.096 312 HZ2 LYS 580 HZ2 LYS 580 73.235 -0.866 -1.621 313 HZ3 LYS 580 HZ3 LYS 580 72.824 0.762 -1.880 314 H GLN 581 HN GLN 581 68.825 2.434 -0.926 315 HA GLN 581 HA GLN 581 66.816 2.644 -2.904 316 HB2 GLN 581 HB2 GLN 581 69.213 1.736 -4.038 317 HB3 GLN 581 HB1 GLN 581 68.286 0.267 -3.756 318 HG2 GLN 581 HG2 GLN 581 66.565 2.340 -4.809 319 HG3 GLN 581 HG1 GLN 581 67.954 2.109 -5.870 320 HE21 GLN 581 HE21 GLN 581 65.082 0.560 -4.547 321 HE22 GLN 581 HE22 GLN 581 65.130 -0.806 -5.550 322 H LEU 582 HN LEU 582 65.390 0.688 -2.812 323 HA LEU 582 HA LEU 582 66.102 -1.373 -0.865 324 HB2 LEU 582 HB2 LEU 582 65.236 0.845 0.317 325 HB3 LEU 582 HB1 LEU 582 63.661 0.187 -0.117 326 HG LEU 582 HG LEU 582 64.394 -1.984 0.952 327 HD11 LEU 582 HD11 LEU 582 66.282 -1.029 2.780 328 HD12 LEU 582 HD12 LEU 582 66.837 -0.431 1.219 329 HD13 LEU 582 HD13 LEU 582 66.582 -2.159 1.460 330 HD21 LEU 582 HD21 LEU 582 62.920 -0.863 2.328 331 HD22 LEU 582 HD22 LEU 582 63.904 0.599 2.360 332 HD23 LEU 582 HD23 LEU 582 64.356 -0.789 3.350 333 H ASN 583 HN ASN 583 64.393 -3.003 -0.646 334 HA ASN 583 HA ASN 583 62.140 -2.894 -2.534 335 HB2 ASN 583 HB2 ASN 583 63.988 -3.655 -3.976 336 HB3 ASN 583 HB1 ASN 583 64.362 -4.942 -2.830 337 HD21 ASN 583 HD21 ASN 583 63.569 -6.895 -3.614 338 HD22 ASN 583 HD22 ASN 583 62.083 -7.098 -4.408 339 H LYS 584 HN LYS 584 60.463 -4.048 -1.689 340 HA LYS 584 HA LYS 584 60.439 -5.091 0.914 341 HB2 LYS 584 HB2 LYS 584 58.335 -4.670 -0.080 342 HB3 LYS 584 HB1 LYS 584 58.731 -5.612 -1.515 343 HG2 LYS 584 HG2 LYS 584 57.165 -6.881 -0.156 344 HG3 LYS 584 HG1 LYS 584 58.733 -7.680 -0.106 345 HD2 LYS 584 HD2 LYS 584 57.879 -7.613 2.152 346 HD3 LYS 584 HD1 LYS 584 59.198 -6.447 2.051 347 HE2 LYS 584 HE2 LYS 584 57.790 -4.629 2.220 348 HE3 LYS 584 HE1 LYS 584 56.453 -5.459 1.426 349 HZ1 LYS 584 HZ1 LYS 584 55.680 -6.208 3.361 350 HZ2 LYS 584 HZ2 LYS 584 56.686 -5.051 4.092 351 HZ3 LYS 584 HZ3 LYS 584 57.216 -6.656 3.922 352 H GLY 585 HN GLY 585 61.474 -6.589 -2.055 353 HA2 GLY 585 HA2 GLY 585 61.327 -9.300 -1.629 354 HA3 GLY 585 HA1 GLY 585 62.732 -8.548 -2.371 355 H THR 586 HN THR 586 63.715 -7.125 -0.090 356 HA THR 586 HA THR 586 64.056 -9.139 2.044 357 HB THR 586 HB THR 586 66.584 -9.034 1.796 358 HG1 THR 586 HG1 THR 586 65.904 -8.131 -0.800 359 HG21 THR 586 HG21 THR 586 66.655 -10.818 0.211 360 HG22 THR 586 HG22 THR 586 65.206 -10.240 -0.611 361 HG23 THR 586 HG23 THR 586 65.085 -10.939 1.004 362 H PHE 587 HN PHE 587 62.999 -6.416 2.040 363 HA PHE 587 HA PHE 587 65.155 -4.843 3.327 364 HB2 PHE 587 HB2 PHE 587 63.871 -2.974 2.976 365 HB3 PHE 587 HB1 PHE 587 63.144 -3.981 1.742 366 HD1 PHE 587 HD1 PHE 587 61.327 -5.750 2.939 367 HD2 PHE 587 HD2 PHE 587 62.317 -1.768 4.213 368 HE1 PHE 587 HE1 PHE 587 59.144 -5.576 4.100 369 HE2 PHE 587 HE2 PHE 587 60.132 -1.596 5.371 370 HZ PHE 587 HZ PHE 587 58.546 -3.500 5.315 371 H LYS 588 HN LYS 588 64.208 -3.575 5.322 372 HA LYS 588 HA LYS 588 62.665 -5.353 7.125 373 HB2 LYS 588 HB2 LYS 588 65.469 -4.320 7.566 374 HB3 LYS 588 HB1 LYS 588 64.412 -4.650 8.935 375 HG2 LYS 588 HG2 LYS 588 64.971 -6.693 6.768 376 HG3 LYS 588 HG1 LYS 588 65.942 -6.562 8.234 377 HD2 LYS 588 HD2 LYS 588 64.434 -7.855 9.289 378 HD3 LYS 588 HD1 LYS 588 63.264 -6.547 9.116 379 HE2 LYS 588 HE2 LYS 588 62.474 -7.427 7.020 380 HE3 LYS 588 HE1 LYS 588 63.782 -8.607 6.957 381 HZ1 LYS 588 HZ1 LYS 588 61.670 -9.563 7.722 382 HZ2 LYS 588 HZ2 LYS 588 61.687 -8.514 9.059 383 HZ3 LYS 588 HZ3 LYS 588 62.895 -9.696 8.887 384 H GLU 589 HN GLU 589 62.235 -3.930 9.249 385 HA GLU 589 HA GLU 589 62.198 -1.052 8.602 386 HB2 GLU 589 HB2 GLU 589 59.899 -0.762 8.550 387 HB3 GLU 589 HB1 GLU 589 60.047 -2.331 7.759 388 HG2 GLU 589 HG2 GLU 589 59.774 -3.340 10.118 389 HG3 GLU 589 HG1 GLU 589 59.224 -1.736 10.605 390 H GLN 590 HN GLN 590 61.753 0.278 10.402 391 HA GLN 590 HA GLN 590 61.380 -0.898 13.060 392 HB2 GLN 590 HB2 GLN 590 63.874 -1.082 12.523 393 HB3 GLN 590 HB1 GLN 590 63.905 0.678 12.489 394 HG2 GLN 590 HG2 GLN 590 64.539 0.079 14.701 395 HG3 GLN 590 HG1 GLN 590 62.864 0.608 14.823 396 HE21 GLN 590 HE21 GLN 590 64.031 -2.535 13.564 397 HE22 GLN 590 HE22 GLN 590 63.266 -3.475 14.752 398 H ASN 591 HN ASN 591 60.801 0.775 14.582 399 HA ASN 591 HA ASN 591 59.764 2.798 15.151 400 HB2 ASN 591 HB2 ASN 591 62.016 3.707 13.351 401 HB3 ASN 591 HB1 ASN 591 60.945 4.848 14.157 402 HD21 ASN 591 HD21 ASN 591 63.859 3.249 14.542 403 HD22 ASN 591 HD22 ASN 591 63.973 3.298 16.235 404 H ASP 592 HN ASP 592 58.983 1.315 12.524 405 HA ASP 592 HA ASP 592 57.138 1.634 11.085 406 HB2 ASP 592 HB2 ASP 592 56.590 3.500 12.919 407 HB3 ASP 592 HB1 ASP 592 57.027 4.576 11.590 408 H LYS 593 HN LYS 593 59.990 2.005 10.355 409 HA LYS 593 HA LYS 593 59.484 3.428 7.808 410 HB2 LYS 593 HB2 LYS 593 62.113 4.172 8.418 411 HB3 LYS 593 HB1 LYS 593 60.702 5.225 8.411 412 HG2 LYS 593 HG2 LYS 593 60.312 4.408 10.833 413 HG3 LYS 593 HG1 LYS 593 61.967 3.811 10.754 414 HD2 LYS 593 HD2 LYS 593 62.411 5.925 11.539 415 HD3 LYS 593 HD1 LYS 593 62.395 6.285 9.813 416 HE2 LYS 593 HE2 LYS 593 60.976 7.921 10.812 417 HE3 LYS 593 HE1 LYS 593 59.887 6.742 10.082 418 HZ1 LYS 593 HZ1 LYS 593 60.746 6.648 12.919 419 HZ2 LYS 593 HZ2 LYS 593 59.529 5.721 12.180 420 HZ3 LYS 593 HZ3 LYS 593 59.314 7.393 12.400 421 HA PRO 594 HA PRO 594 61.637 -0.048 6.164 422 HB2 PRO 594 HB2 PRO 594 62.756 1.115 3.939 423 HB3 PRO 594 HB1 PRO 594 61.058 0.649 4.078 424 HG2 PRO 594 HG2 PRO 594 62.296 3.351 4.265 425 HG3 PRO 594 HG1 PRO 594 60.721 2.879 3.624 426 HD2 PRO 594 HD2 PRO 594 61.096 4.057 6.108 427 HD3 PRO 594 HD1 PRO 594 59.696 3.038 5.689 428 H TYR 595 HN TYR 595 63.673 -0.970 5.857 429 HA TYR 595 HA TYR 595 66.143 0.579 6.048 430 HB2 TYR 595 HB2 TYR 595 65.222 -1.204 8.332 431 HB3 TYR 595 HB1 TYR 595 66.890 -0.685 8.119 432 HD1 TYR 595 HD1 TYR 595 67.144 1.957 7.687 433 HD2 TYR 595 HD2 TYR 595 63.875 0.073 9.732 434 HE1 TYR 595 HE1 TYR 595 66.621 4.098 8.827 435 HE2 TYR 595 HE2 TYR 595 63.357 2.212 10.869 436 HH TYR 595 HH TYR 595 64.900 5.200 9.960 437 H CYS 596 HN CYS 596 67.546 -0.574 4.728 438 HA CYS 596 HA CYS 596 66.899 -3.049 3.544 439 HB2 CYS 596 HB2 CYS 596 69.790 -2.573 4.065 440 HB3 CYS 596 HB1 CYS 596 68.972 -2.964 2.555 441 H GLN 597 HN GLN 597 67.370 -5.198 4.103 442 HA GLN 597 HA GLN 597 67.294 -5.959 6.797 443 HB2 GLN 597 HB2 GLN 597 66.921 -7.828 5.540 444 HB3 GLN 597 HB1 GLN 597 67.938 -7.241 4.230 445 HG2 GLN 597 HG2 GLN 597 68.910 -9.274 5.190 446 HG3 GLN 597 HG1 GLN 597 69.956 -7.897 5.519 447 HE21 GLN 597 HE21 GLN 597 67.075 -7.872 7.422 448 HE22 GLN 597 HE22 GLN 597 67.752 -8.482 8.853 449 H ASN 598 HN ASN 598 70.076 -5.259 4.742 450 HA ASN 598 HA ASN 598 72.098 -5.995 6.657 451 HB2 ASN 598 HB2 ASN 598 72.632 -5.697 4.272 452 HB3 ASN 598 HB1 ASN 598 72.185 -3.995 4.372 453 HD21 ASN 598 HD21 ASN 598 74.527 -6.379 5.685 454 HD22 ASN 598 HD22 ASN 598 75.734 -5.236 6.028 455 H CYS 599 HN CYS 599 70.320 -3.016 5.947 456 HA CYS 599 HA CYS 599 71.749 -1.357 7.840 457 HB2 CYS 599 HB2 CYS 599 69.165 -1.150 6.327 458 HB3 CYS 599 HB1 CYS 599 69.401 -0.091 7.712 459 H PHE 600 HN PHE 600 68.466 -2.807 7.984 460 HA PHE 600 HA PHE 600 67.895 -2.361 10.700 461 HB2 PHE 600 HB2 PHE 600 66.228 -3.342 9.261 462 HB3 PHE 600 HB1 PHE 600 67.266 -4.711 8.886 463 HD1 PHE 600 HD1 PHE 600 64.894 -3.290 11.260 464 HD2 PHE 600 HD2 PHE 600 67.766 -6.425 10.641 465 HE1 PHE 600 HE1 PHE 600 63.923 -4.558 13.157 466 HE2 PHE 600 HE2 PHE 600 66.798 -7.687 12.542 467 HZ PHE 600 HZ PHE 600 64.875 -6.754 13.798 468 H LEU 601 HN LEU 601 69.718 -4.998 9.200 469 HA LEU 601 HA LEU 601 70.382 -6.449 11.565 470 HB2 LEU 601 HB2 LEU 601 70.706 -7.355 9.314 471 HB3 LEU 601 HB1 LEU 601 71.863 -6.084 8.941 472 HG LEU 601 HG LEU 601 73.212 -6.982 10.956 473 HD11 LEU 601 HD11 LEU 601 72.800 -9.378 11.441 474 HD12 LEU 601 HD12 LEU 601 71.372 -9.333 10.407 475 HD13 LEU 601 HD13 LEU 601 71.416 -8.383 11.892 476 HD21 LEU 601 HD21 LEU 601 74.128 -7.319 8.813 477 HD22 LEU 601 HD22 LEU 601 72.805 -8.370 8.311 478 HD23 LEU 601 HD23 LEU 601 74.013 -8.957 9.457 479 H LYS 602 HN LYS 602 71.549 -3.506 10.161 480 HA LYS 602 HA LYS 602 73.944 -3.343 11.874 481 HB2 LYS 602 HB2 LYS 602 73.315 -2.357 9.377 482 HB3 LYS 602 HB1 LYS 602 73.081 -0.944 10.396 483 HG2 LYS 602 HG2 LYS 602 75.358 -0.857 9.782 484 HG3 LYS 602 HG1 LYS 602 75.368 -1.512 11.419 485 HD2 LYS 602 HD2 LYS 602 76.841 -2.924 10.194 486 HD3 LYS 602 HD1 LYS 602 75.337 -3.837 10.314 487 HE2 LYS 602 HE2 LYS 602 74.779 -3.467 8.073 488 HE3 LYS 602 HE1 LYS 602 75.794 -2.030 7.953 489 HZ1 LYS 602 HZ1 LYS 602 77.737 -3.539 8.257 490 HZ2 LYS 602 HZ2 LYS 602 76.885 -3.772 6.806 491 HZ3 LYS 602 HZ3 LYS 602 76.681 -4.856 8.098 492 H LEU 603 HN LEU 603 70.738 -1.847 11.570 493 HA LEU 603 HA LEU 603 71.248 -0.010 13.802 494 HB2 LEU 603 HB2 LEU 603 68.512 -0.539 12.676 495 HB3 LEU 603 HB1 LEU 603 69.183 0.961 13.297 496 HG LEU 603 HG LEU 603 69.849 -0.375 10.670 497 HD11 LEU 603 HD11 LEU 603 68.940 1.689 9.708 498 HD12 LEU 603 HD12 LEU 603 68.637 2.320 11.326 499 HD13 LEU 603 HD13 LEU 603 67.741 0.917 10.745 500 HD21 LEU 603 HD21 LEU 603 71.301 1.657 10.313 501 HD22 LEU 603 HD22 LEU 603 71.912 0.549 11.540 502 HD23 LEU 603 HD23 LEU 603 71.093 2.035 12.023 503 H PHE 604 HN PHE 604 68.864 -2.601 13.203 504 HA PHE 604 HA PHE 604 68.081 -2.762 15.975 505 HB2 PHE 604 HB2 PHE 604 66.792 -3.513 13.844 506 HB3 PHE 604 HB1 PHE 604 67.722 -5.002 13.997 507 HD1 PHE 604 HD1 PHE 604 67.038 -6.683 15.499 508 HD2 PHE 604 HD2 PHE 604 65.512 -2.692 15.943 509 HE1 PHE 604 HE1 PHE 604 65.483 -7.473 17.261 510 HE2 PHE 604 HE2 PHE 604 63.956 -3.483 17.704 511 HZ PHE 604 HZ PHE 604 63.942 -5.873 18.363 512 H CYS 605 HN CYS 605 70.688 -4.121 14.150 513 HA CYS 605 HA CYS 605 71.538 -5.615 16.579 514 HB2 CYS 605 HB2 CYS 605 70.320 -7.079 14.767 515 HB3 CYS 605 HB1 CYS 605 71.844 -6.933 13.893 516 HG CYS 605 HG CYS 605 72.947 -7.859 16.249 Start of MODEL 9 1 H TYR 541 HT1 TYR 541 44.790 5.044 -12.653 2 HA TYR 541 HA TYR 541 46.010 7.074 -11.840 3 HB2 TYR 541 HB2 TYR 541 43.375 8.433 -12.429 4 HB3 TYR 541 HB1 TYR 541 44.890 9.170 -11.907 5 HD1 TYR 541 HD1 TYR 541 42.894 8.133 -14.731 6 HD2 TYR 541 HD2 TYR 541 46.894 9.098 -13.491 7 HE1 TYR 541 HE1 TYR 541 43.550 8.465 -17.100 8 HE2 TYR 541 HE2 TYR 541 47.547 9.430 -15.860 9 HH TYR 541 HH TYR 541 45.855 10.085 -18.157 10 H HIS 542 HN HIS 542 42.581 6.139 -11.724 11 HA HIS 542 HA HIS 542 42.325 6.601 -8.875 12 HB2 HIS 542 HB2 HIS 542 40.616 4.804 -10.616 13 HB3 HIS 542 HB1 HIS 542 40.157 5.573 -9.100 14 HD1 HIS 542 HD1 HIS 542 40.544 6.235 -12.748 15 HD2 HIS 542 HD2 HIS 542 39.705 8.416 -9.296 16 HE1 HIS 542 HE1 HIS 542 39.696 8.493 -13.517 17 H GLU 543 HN GLU 543 41.679 4.690 -7.412 18 HA GLU 543 HA GLU 543 43.856 2.761 -7.430 19 HB2 GLU 543 HB2 GLU 543 41.466 3.231 -5.652 20 HB3 GLU 543 HB1 GLU 543 42.506 1.823 -5.432 21 HG2 GLU 543 HG2 GLU 543 44.204 4.089 -5.756 22 HG3 GLU 543 HG1 GLU 543 42.968 4.520 -4.580 23 H ARG 544 HN ARG 544 43.038 0.353 -6.834 24 HA ARG 544 HA ARG 544 41.958 -1.605 -7.549 25 HB2 ARG 544 HB2 ARG 544 39.913 0.148 -7.551 26 HB3 ARG 544 HB1 ARG 544 40.016 -0.155 -9.282 27 HG2 ARG 544 HG2 ARG 544 38.552 -1.839 -8.575 28 HG3 ARG 544 HG1 ARG 544 40.106 -2.674 -8.586 29 HD2 ARG 544 HD2 ARG 544 39.815 -3.150 -6.406 30 HD3 ARG 544 HD1 ARG 544 39.907 -1.423 -6.061 31 HE ARG 544 HE ARG 544 37.281 -1.804 -6.873 32 HH11 ARG 544 HH11 ARG 544 35.616 -2.289 -5.435 33 HH12 ARG 544 HH12 ARG 544 35.985 -3.054 -3.926 34 HH21 ARG 544 HH21 ARG 544 39.395 -3.180 -4.516 35 HH22 ARG 544 HH22 ARG 544 38.121 -3.558 -3.406 36 H ARG 545 HN ARG 545 42.967 0.882 -9.743 37 HA ARG 545 HA ARG 545 42.936 -0.843 -12.114 38 HB2 ARG 545 HB2 ARG 545 44.393 1.786 -11.740 39 HB3 ARG 545 HB1 ARG 545 43.915 1.031 -13.261 40 HG2 ARG 545 HG2 ARG 545 41.507 1.176 -12.379 41 HG3 ARG 545 HG1 ARG 545 42.143 2.278 -11.160 42 HD2 ARG 545 HD2 ARG 545 43.154 3.619 -13.059 43 HD3 ARG 545 HD1 ARG 545 42.220 2.620 -14.168 44 HE ARG 545 HE ARG 545 41.238 4.878 -12.733 45 HH11 ARG 545 HH11 ARG 545 39.079 5.193 -12.213 46 HH12 ARG 545 HH12 ARG 545 37.969 3.869 -12.329 47 HH21 ARG 545 HH21 ARG 545 40.350 1.607 -13.407 48 HH22 ARG 545 HH22 ARG 545 38.688 1.847 -12.993 49 H GLY 546 HN GLY 546 44.911 -0.550 -9.402 50 HA2 GLY 546 HA2 GLY 546 46.799 -2.476 -10.194 51 HA3 GLY 546 HA1 GLY 546 47.510 -0.906 -10.577 52 H SER 547 HN SER 547 48.248 0.391 -8.903 53 HA SER 547 HA SER 547 47.526 0.030 -6.136 54 HB2 SER 547 HB2 SER 547 49.657 -1.657 -7.202 55 HB3 SER 547 HB1 SER 547 50.233 -0.630 -5.893 56 HG SER 547 HG SER 547 47.912 -2.273 -5.828 57 H LEU 548 HN LEU 548 47.752 2.102 -5.430 58 HA LEU 548 HA LEU 548 49.431 4.007 -6.811 59 HB2 LEU 548 HB2 LEU 548 47.692 4.074 -4.371 60 HB3 LEU 548 HB1 LEU 548 48.848 5.376 -4.624 61 HG LEU 548 HG LEU 548 47.892 5.893 -6.790 62 HD11 LEU 548 HD11 LEU 548 46.305 3.376 -6.304 63 HD12 LEU 548 HD12 LEU 548 47.287 3.803 -7.703 64 HD13 LEU 548 HD13 LEU 548 45.744 4.609 -7.432 65 HD21 LEU 548 HD21 LEU 548 46.774 6.905 -4.860 66 HD22 LEU 548 HD22 LEU 548 45.749 5.481 -4.681 67 HD23 LEU 548 HD23 LEU 548 45.580 6.517 -6.098 68 H CYS 549 HN CYS 549 51.456 4.732 -6.273 69 HA CYS 549 HA CYS 549 53.035 3.137 -4.405 70 HB2 CYS 549 HB2 CYS 549 54.418 3.768 -6.131 71 HB3 CYS 549 HB1 CYS 549 53.545 5.268 -6.422 72 H SER 550 HN SER 550 52.768 3.557 -2.258 73 HA SER 550 HA SER 550 51.617 5.862 -1.155 74 HB2 SER 550 HB2 SER 550 53.772 4.135 0.093 75 HB3 SER 550 HB1 SER 550 52.723 5.245 0.966 76 HG SER 550 HG SER 550 52.126 2.817 -0.320 77 H GLY 551 HN GLY 551 52.282 7.867 -1.511 78 HA2 GLY 551 HA2 GLY 551 54.083 9.542 -0.847 79 HA3 GLY 551 HA1 GLY 551 55.217 8.445 -1.650 80 H CYS 552 HN CYS 552 53.265 7.738 -3.733 81 HA CYS 552 HA CYS 552 53.494 10.211 -5.401 82 HB2 CYS 552 HB2 CYS 552 53.654 7.282 -5.954 83 HB3 CYS 552 HB1 CYS 552 52.959 8.307 -7.208 84 H GLN 553 HN GLN 553 51.291 7.785 -4.157 85 HA GLN 553 HA GLN 553 48.960 7.621 -4.224 86 HB2 GLN 553 HB2 GLN 553 49.275 10.575 -4.852 87 HB3 GLN 553 HB1 GLN 553 47.722 9.797 -4.557 88 HG2 GLN 553 HG2 GLN 553 48.354 10.659 -2.444 89 HG3 GLN 553 HG1 GLN 553 48.760 8.948 -2.356 90 HE21 GLN 553 HE21 GLN 553 50.655 8.892 -1.110 91 HE22 GLN 553 HE22 GLN 553 52.037 9.826 -1.421 92 H LYS 554 HN LYS 554 50.617 7.152 -6.617 93 HA LYS 554 HA LYS 554 48.457 7.380 -8.659 94 HB2 LYS 554 HB2 LYS 554 51.421 7.903 -9.076 95 HB3 LYS 554 HB1 LYS 554 50.252 7.732 -10.385 96 HG2 LYS 554 HG2 LYS 554 50.010 9.787 -8.170 97 HG3 LYS 554 HG1 LYS 554 50.727 10.123 -9.745 98 HD2 LYS 554 HD2 LYS 554 48.509 9.191 -10.718 99 HD3 LYS 554 HD1 LYS 554 47.867 9.425 -9.093 100 HE2 LYS 554 HE2 LYS 554 49.245 11.606 -10.682 101 HE3 LYS 554 HE1 LYS 554 47.496 11.389 -10.628 102 HZ1 LYS 554 HZ1 LYS 554 47.381 12.055 -8.474 103 HZ2 LYS 554 HZ2 LYS 554 48.745 12.954 -8.943 104 HZ3 LYS 554 HZ3 LYS 554 48.936 11.500 -8.085 105 HA PRO 555 HA PRO 555 48.850 2.993 -8.907 106 HB2 PRO 555 HB2 PRO 555 48.890 3.277 -11.839 107 HB3 PRO 555 HB1 PRO 555 47.751 2.410 -10.801 108 HG2 PRO 555 HG2 PRO 555 47.255 4.842 -12.062 109 HG3 PRO 555 HG1 PRO 555 46.334 4.193 -10.703 110 HD2 PRO 555 HD2 PRO 555 48.120 6.496 -10.741 111 HD3 PRO 555 HD1 PRO 555 47.074 5.927 -9.416 112 H ILE 556 HN ILE 556 50.354 1.376 -9.412 113 HA ILE 556 HA ILE 556 53.028 2.383 -10.262 114 HB ILE 556 HB ILE 556 52.165 0.033 -8.554 115 HG12 ILE 556 HG12 ILE 556 54.009 2.281 -7.759 116 HG13 ILE 556 HG11 ILE 556 52.265 2.521 -7.720 117 HG21 ILE 556 HG21 ILE 556 54.871 0.816 -9.660 118 HG22 ILE 556 HG22 ILE 556 54.073 -0.753 -9.745 119 HG23 ILE 556 HG23 ILE 556 54.710 -0.170 -8.207 120 HD11 ILE 556 HD11 ILE 556 52.561 0.068 -6.477 121 HD12 ILE 556 HD12 ILE 556 52.356 1.611 -5.649 122 HD13 ILE 556 HD13 ILE 556 53.973 0.962 -5.915 123 H THR 557 HN THR 557 52.889 2.095 -12.500 124 HA THR 557 HA THR 557 51.845 -0.390 -13.638 125 HB THR 557 HB THR 557 52.639 0.637 -15.804 126 HG1 THR 557 HG1 THR 557 54.331 1.868 -15.029 127 HG21 THR 557 HG21 THR 557 51.075 2.683 -15.552 128 HG22 THR 557 HG22 THR 557 50.833 2.124 -13.897 129 HG23 THR 557 HG23 THR 557 50.387 1.088 -15.253 130 H GLY 558 HN GLY 558 53.132 -2.109 -13.065 131 HA2 GLY 558 HA2 GLY 558 55.086 -3.312 -14.229 132 HA3 GLY 558 HA1 GLY 558 56.053 -1.943 -13.670 133 H ARG 559 HN ARG 559 57.358 -3.269 -12.279 134 HA ARG 559 HA ARG 559 56.286 -5.077 -10.335 135 HB2 ARG 559 HB2 ARG 559 58.878 -3.595 -10.663 136 HB3 ARG 559 HB1 ARG 559 58.540 -4.376 -9.119 137 HG2 ARG 559 HG2 ARG 559 58.000 -6.012 -11.532 138 HG3 ARG 559 HG1 ARG 559 59.694 -5.658 -11.215 139 HD2 ARG 559 HD2 ARG 559 59.658 -6.715 -9.120 140 HD3 ARG 559 HD1 ARG 559 57.905 -6.629 -8.988 141 HE ARG 559 HE ARG 559 59.398 -8.810 -10.065 142 HH11 ARG 559 HH11 ARG 559 58.553 -10.304 -11.502 143 HH12 ARG 559 HH12 ARG 559 57.080 -9.950 -12.340 144 HH21 ARG 559 HH21 ARG 559 56.666 -6.849 -10.866 145 HH22 ARG 559 HH22 ARG 559 56.018 -8.000 -11.985 146 H CYS 560 HN CYS 560 56.209 -4.651 -7.948 147 HA CYS 560 HA CYS 560 55.968 -1.837 -7.138 148 HB2 CYS 560 HB2 CYS 560 53.642 -1.945 -6.503 149 HB3 CYS 560 HB1 CYS 560 53.757 -2.423 -8.195 150 HG CYS 560 HG CYS 560 53.923 -4.890 -6.496 151 H ILE 561 HN ILE 561 56.395 -1.604 -5.006 152 HA ILE 561 HA ILE 561 57.009 -4.052 -3.466 153 HB ILE 561 HB ILE 561 57.334 -1.253 -2.408 154 HG12 ILE 561 HG12 ILE 561 58.224 -1.250 -4.742 155 HG13 ILE 561 HG11 ILE 561 59.499 -1.070 -3.544 156 HG21 ILE 561 HG21 ILE 561 57.999 -2.779 -0.796 157 HG22 ILE 561 HG22 ILE 561 59.523 -2.532 -1.650 158 HG23 ILE 561 HG23 ILE 561 58.547 -3.959 -1.987 159 HD11 ILE 561 HD11 ILE 561 60.137 -2.696 -5.293 160 HD12 ILE 561 HD12 ILE 561 58.725 -3.674 -4.894 161 HD13 ILE 561 HD13 ILE 561 60.020 -3.471 -3.713 162 H THR 562 HN THR 562 56.071 -4.450 -1.388 163 HA THR 562 HA THR 562 53.602 -2.878 -0.783 164 HB THR 562 HB THR 562 53.908 -5.894 -0.636 165 HG1 THR 562 HG1 THR 562 53.592 -4.886 -2.740 166 HG21 THR 562 HG21 THR 562 51.754 -3.973 0.229 167 HG22 THR 562 HG22 THR 562 52.456 -5.322 1.124 168 HG23 THR 562 HG23 THR 562 51.354 -5.632 -0.218 169 H ALA 563 HN ALA 563 54.233 -1.829 1.042 170 HA ALA 563 HA ALA 563 55.906 -3.216 3.043 171 HB1 ALA 563 HB1 ALA 563 56.300 -0.815 2.375 172 HB2 ALA 563 HB2 ALA 563 56.092 -1.055 4.110 173 HB3 ALA 563 HB3 ALA 563 54.764 -0.412 3.143 174 H MET 564 HN MET 564 54.230 -1.207 4.906 175 HA MET 564 HA MET 564 52.620 -3.311 6.096 176 HB2 MET 564 HB2 MET 564 52.701 -0.321 6.586 177 HB3 MET 564 HB1 MET 564 51.827 -1.473 7.592 178 HG2 MET 564 HG2 MET 564 53.972 -2.671 8.026 179 HG3 MET 564 HG1 MET 564 54.820 -1.428 7.105 180 HE1 MET 564 HE1 MET 564 55.103 -1.322 11.209 181 HE2 MET 564 HE2 MET 564 56.170 -1.452 9.814 182 HE3 MET 564 HE3 MET 564 54.897 -2.645 10.054 183 H ALA 565 HN ALA 565 51.688 -3.456 3.719 184 HA ALA 565 HA ALA 565 49.638 -3.480 2.553 185 HB1 ALA 565 HB1 ALA 565 48.429 -1.344 4.262 186 HB2 ALA 565 HB2 ALA 565 48.725 -2.913 5.012 187 HB3 ALA 565 HB3 ALA 565 47.689 -2.797 3.590 188 H LYS 566 HN LYS 566 51.620 -0.849 3.258 189 HA LYS 566 HA LYS 566 50.370 0.990 1.312 190 HB2 LYS 566 HB2 LYS 566 52.461 1.148 3.399 191 HB3 LYS 566 HB1 LYS 566 52.785 2.108 1.956 192 HG2 LYS 566 HG2 LYS 566 50.514 3.120 2.158 193 HG3 LYS 566 HG1 LYS 566 50.277 2.222 3.658 194 HD2 LYS 566 HD2 LYS 566 52.587 4.130 3.205 195 HD3 LYS 566 HD1 LYS 566 51.073 4.601 3.977 196 HE2 LYS 566 HE2 LYS 566 52.083 3.946 5.904 197 HE3 LYS 566 HE1 LYS 566 51.710 2.311 5.357 198 HZ1 LYS 566 HZ1 LYS 566 54.238 3.810 4.954 199 HZ2 LYS 566 HZ2 LYS 566 53.882 2.345 4.172 200 HZ3 LYS 566 HZ3 LYS 566 54.012 2.397 5.865 201 H LYS 567 HN LYS 567 51.077 1.171 -0.789 202 HA LYS 567 HA LYS 567 53.216 -0.685 -1.646 203 HB2 LYS 567 HB2 LYS 567 51.013 0.801 -3.053 204 HB3 LYS 567 HB1 LYS 567 52.378 0.164 -3.970 205 HG2 LYS 567 HG2 LYS 567 50.473 -1.443 -3.848 206 HG3 LYS 567 HG1 LYS 567 51.950 -2.083 -3.127 207 HD2 LYS 567 HD2 LYS 567 51.158 -1.785 -0.927 208 HD3 LYS 567 HD1 LYS 567 49.921 -0.631 -1.434 209 HE2 LYS 567 HE2 LYS 567 48.517 -2.297 -2.278 210 HE3 LYS 567 HE1 LYS 567 49.839 -3.447 -2.471 211 HZ1 LYS 567 HZ1 LYS 567 48.174 -3.651 -0.490 212 HZ2 LYS 567 HZ2 LYS 567 49.189 -2.489 0.223 213 HZ3 LYS 567 HZ3 LYS 567 49.822 -3.988 -0.268 214 H PHE 568 HN PHE 568 54.655 0.203 -3.455 215 HA PHE 568 HA PHE 568 55.270 3.084 -3.327 216 HB2 PHE 568 HB2 PHE 568 57.123 0.959 -2.200 217 HB3 PHE 568 HB1 PHE 568 57.688 2.551 -2.688 218 HD1 PHE 568 HD1 PHE 568 55.769 0.641 -0.211 219 HD2 PHE 568 HD2 PHE 568 57.002 4.568 -1.441 220 HE1 PHE 568 HE1 PHE 568 55.122 1.538 2.008 221 HE2 PHE 568 HE2 PHE 568 56.350 5.466 0.777 222 HZ PHE 568 HZ PHE 568 55.412 3.951 2.502 223 H HIS 569 HN HIS 569 56.263 3.681 -5.276 224 HA HIS 569 HA HIS 569 56.447 1.817 -7.430 225 HB2 HIS 569 HB2 HIS 569 57.665 4.536 -6.935 226 HB3 HIS 569 HB1 HIS 569 58.144 3.602 -8.348 227 HD2 HIS 569 HD2 HIS 569 55.634 2.750 -9.887 228 HE1 HIS 569 HE1 HIS 569 53.720 6.358 -8.812 229 HE2 HIS 569 HE2 HIS 569 53.651 4.360 -10.389 230 HA PRO 570 HA PRO 570 59.961 -0.577 -6.112 231 HB2 PRO 570 HB2 PRO 570 60.743 -0.580 -8.969 232 HB3 PRO 570 HB1 PRO 570 60.396 -1.938 -7.891 233 HG2 PRO 570 HG2 PRO 570 58.685 -1.087 -9.868 234 HG3 PRO 570 HG1 PRO 570 58.178 -1.966 -8.425 235 HD2 PRO 570 HD2 PRO 570 57.715 0.857 -9.128 236 HD3 PRO 570 HD1 PRO 570 56.908 -0.144 -7.895 237 H GLU 571 HN GLU 571 60.148 2.443 -7.667 238 HA GLU 571 HA GLU 571 63.087 2.640 -7.158 239 HB2 GLU 571 HB2 GLU 571 63.049 4.556 -8.719 240 HB3 GLU 571 HB1 GLU 571 62.442 3.092 -9.495 241 HG2 GLU 571 HG2 GLU 571 60.148 3.801 -9.181 242 HG3 GLU 571 HG1 GLU 571 60.659 5.181 -8.215 243 H HIS 572 HN HIS 572 59.978 3.681 -6.107 244 HA HIS 572 HA HIS 572 61.121 6.073 -4.751 245 HB2 HIS 572 HB2 HIS 572 58.249 5.138 -5.061 246 HB3 HIS 572 HB1 HIS 572 58.737 6.576 -4.166 247 HD2 HIS 572 HD2 HIS 572 61.159 7.126 -6.665 248 HE1 HIS 572 HE1 HIS 572 57.691 8.134 -8.841 249 HE2 HIS 572 HE2 HIS 572 60.224 8.309 -8.779 250 H PHE 573 HN PHE 573 60.398 2.809 -4.175 251 HA PHE 573 HA PHE 573 59.805 3.039 -1.330 252 HB2 PHE 573 HB2 PHE 573 59.133 1.048 -2.690 253 HB3 PHE 573 HB1 PHE 573 60.836 0.669 -2.925 254 HD1 PHE 573 HD1 PHE 573 61.605 -1.058 -1.571 255 HD2 PHE 573 HD2 PHE 573 58.678 1.669 -0.007 256 HE1 PHE 573 HE1 PHE 573 61.642 -2.261 0.596 257 HE2 PHE 573 HE2 PHE 573 58.714 0.465 2.159 258 HZ PHE 573 HZ PHE 573 60.195 -1.500 2.461 259 H VAL 574 HN VAL 574 61.520 4.396 -0.611 260 HA VAL 574 HA VAL 574 64.257 3.236 -0.823 261 HB VAL 574 HB VAL 574 65.064 5.487 -0.232 262 HG11 VAL 574 HG11 VAL 574 64.070 4.696 -2.632 263 HG12 VAL 574 HG12 VAL 574 64.829 6.266 -2.370 264 HG13 VAL 574 HG13 VAL 574 63.072 6.121 -2.341 265 HG21 VAL 574 HG21 VAL 574 63.386 7.350 -0.131 266 HG22 VAL 574 HG22 VAL 574 63.230 6.213 1.208 267 HG23 VAL 574 HG23 VAL 574 62.099 6.144 -0.144 268 H CYS 575 HN CYS 575 65.646 3.803 1.173 269 HA CYS 575 HA CYS 575 64.407 2.558 3.497 270 HB2 CYS 575 HB2 CYS 575 66.702 2.033 3.058 271 HB3 CYS 575 HB1 CYS 575 67.141 3.733 2.951 272 H ALA 576 HN ALA 576 63.522 3.603 5.234 273 HA ALA 576 HA ALA 576 63.218 6.491 5.194 274 HB1 ALA 576 HB1 ALA 576 62.208 6.082 7.503 275 HB2 ALA 576 HB2 ALA 576 62.542 4.370 7.246 276 HB3 ALA 576 HB3 ALA 576 61.437 5.224 6.170 277 H PHE 577 HN PHE 577 65.954 5.839 5.162 278 HA PHE 577 HA PHE 577 66.864 7.198 7.631 279 HB2 PHE 577 HB2 PHE 577 67.059 4.565 7.733 280 HB3 PHE 577 HB1 PHE 577 68.432 4.821 6.662 281 HD1 PHE 577 HD1 PHE 577 70.520 5.199 7.625 282 HD2 PHE 577 HD2 PHE 577 66.981 6.218 9.838 283 HE1 PHE 577 HE1 PHE 577 71.919 5.838 9.570 284 HE2 PHE 577 HE2 PHE 577 68.381 6.856 11.782 285 HZ PHE 577 HZ PHE 577 70.850 6.666 11.648 286 H CYS 578 HN CYS 578 68.219 5.530 4.783 287 HA CYS 578 HA CYS 578 69.930 7.907 4.256 288 HB2 CYS 578 HB2 CYS 578 70.899 6.297 2.478 289 HB3 CYS 578 HB1 CYS 578 71.211 5.914 4.169 290 H LEU 579 HN LEU 579 67.091 6.306 3.163 291 HA LEU 579 HA LEU 579 65.633 6.696 1.381 292 HB2 LEU 579 HB2 LEU 579 66.956 9.427 1.470 293 HB3 LEU 579 HB1 LEU 579 65.429 9.052 0.673 294 HG LEU 579 HG LEU 579 65.012 8.032 3.197 295 HD11 LEU 579 HD11 LEU 579 66.431 10.680 3.568 296 HD12 LEU 579 HD12 LEU 579 67.212 9.126 3.855 297 HD13 LEU 579 HD13 LEU 579 65.816 9.602 4.821 298 HD21 LEU 579 HD21 LEU 579 63.630 10.082 3.535 299 HD22 LEU 579 HD22 LEU 579 63.426 9.396 1.923 300 HD23 LEU 579 HD23 LEU 579 64.435 10.824 2.152 301 H LYS 580 HN LYS 580 68.563 5.885 0.830 302 HA LYS 580 HA LYS 580 69.204 7.034 -1.756 303 HB2 LYS 580 HB2 LYS 580 70.877 5.224 -1.895 304 HB3 LYS 580 HB1 LYS 580 70.933 6.005 -0.315 305 HG2 LYS 580 HG2 LYS 580 69.281 4.138 0.429 306 HG3 LYS 580 HG1 LYS 580 69.797 3.305 -1.036 307 HD2 LYS 580 HD2 LYS 580 72.156 4.249 0.231 308 HD3 LYS 580 HD1 LYS 580 71.162 3.512 1.488 309 HE2 LYS 580 HE2 LYS 580 72.547 1.779 0.516 310 HE3 LYS 580 HE1 LYS 580 70.882 1.505 0.003 311 HZ1 LYS 580 HZ1 LYS 580 72.198 3.252 -1.795 312 HZ2 LYS 580 HZ2 LYS 580 71.474 1.746 -2.103 313 HZ3 LYS 580 HZ3 LYS 580 73.099 1.826 -1.615 314 H GLN 581 HN GLN 581 67.938 3.847 -0.768 315 HA GLN 581 HA GLN 581 65.948 3.673 -2.778 316 HB2 GLN 581 HB2 GLN 581 68.491 3.304 -3.881 317 HB3 GLN 581 HB1 GLN 581 67.911 1.665 -3.609 318 HG2 GLN 581 HG2 GLN 581 65.782 3.295 -4.688 319 HG3 GLN 581 HG1 GLN 581 67.203 3.399 -5.726 320 HE21 GLN 581 HE21 GLN 581 64.746 1.217 -4.458 321 HE22 GLN 581 HE22 GLN 581 65.128 -0.095 -5.464 322 H LEU 582 HN LEU 582 64.957 1.455 -2.726 323 HA LEU 582 HA LEU 582 66.051 -0.425 -0.772 324 HB2 LEU 582 HB2 LEU 582 64.734 1.549 0.409 325 HB3 LEU 582 HB1 LEU 582 63.328 0.601 -0.066 326 HG LEU 582 HG LEU 582 64.461 -1.399 0.992 327 HD11 LEU 582 HD11 LEU 582 66.522 0.623 1.350 328 HD12 LEU 582 HD12 LEU 582 66.629 -1.126 1.541 329 HD13 LEU 582 HD13 LEU 582 66.071 -0.124 2.880 330 HD21 LEU 582 HD21 LEU 582 62.763 -0.636 2.350 331 HD22 LEU 582 HD22 LEU 582 63.407 1.004 2.405 332 HD23 LEU 582 HD23 LEU 582 64.127 -0.260 3.402 333 H ASN 583 HN ASN 583 64.815 -2.405 -0.655 334 HA ASN 583 HA ASN 583 62.614 -2.746 -2.600 335 HB2 ASN 583 HB2 ASN 583 63.740 -4.672 -3.662 336 HB3 ASN 583 HB1 ASN 583 64.667 -3.193 -3.902 337 HD21 ASN 583 HD21 ASN 583 66.501 -2.842 -2.247 338 HD22 ASN 583 HD22 ASN 583 67.314 -4.217 -1.675 339 H LYS 584 HN LYS 584 61.105 -4.066 -1.699 340 HA LYS 584 HA LYS 584 61.234 -5.079 0.918 341 HB2 LYS 584 HB2 LYS 584 59.082 -4.947 -0.043 342 HB3 LYS 584 HB1 LYS 584 59.578 -5.814 -1.492 343 HG2 LYS 584 HG2 LYS 584 58.221 -7.305 -0.148 344 HG3 LYS 584 HG1 LYS 584 59.887 -7.874 -0.081 345 HD2 LYS 584 HD2 LYS 584 58.955 -7.915 2.166 346 HD3 LYS 584 HD1 LYS 584 60.168 -6.640 2.081 347 HE2 LYS 584 HE2 LYS 584 58.587 -4.939 2.156 348 HE3 LYS 584 HE1 LYS 584 57.319 -5.948 1.460 349 HZ1 LYS 584 HZ1 LYS 584 58.012 -7.180 3.812 350 HZ2 LYS 584 HZ2 LYS 584 56.611 -6.263 3.523 351 HZ3 LYS 584 HZ3 LYS 584 57.988 -5.528 4.193 352 H GLY 585 HN GLY 585 62.450 -6.445 -2.048 353 HA2 GLY 585 HA2 GLY 585 62.684 -9.169 -1.355 354 HA3 GLY 585 HA1 GLY 585 63.767 -8.330 -2.458 355 H THR 586 HN THR 586 64.690 -6.428 -0.342 356 HA THR 586 HA THR 586 66.033 -8.264 1.570 357 HB THR 586 HB THR 586 68.269 -7.400 0.970 358 HG1 THR 586 HG1 THR 586 66.881 -6.170 -1.177 359 HG21 THR 586 HG21 THR 586 68.527 -8.615 -1.121 360 HG22 THR 586 HG22 THR 586 66.800 -8.481 -1.453 361 HG23 THR 586 HG23 THR 586 67.365 -9.471 -0.107 362 H PHE 587 HN PHE 587 64.081 -6.051 1.901 363 HA PHE 587 HA PHE 587 65.799 -4.010 3.229 364 HB2 PHE 587 HB2 PHE 587 64.138 -2.484 2.901 365 HB3 PHE 587 HB1 PHE 587 63.595 -3.609 1.672 366 HD1 PHE 587 HD1 PHE 587 62.411 -1.656 4.214 367 HD2 PHE 587 HD2 PHE 587 62.257 -5.746 2.907 368 HE1 PHE 587 HE1 PHE 587 60.292 -1.975 5.459 369 HE2 PHE 587 HE2 PHE 587 60.139 -6.063 4.156 370 HZ PHE 587 HZ PHE 587 59.156 -4.178 5.431 371 H LYS 588 HN LYS 588 64.603 -3.137 5.274 372 HA LYS 588 HA LYS 588 63.487 -5.307 6.954 373 HB2 LYS 588 HB2 LYS 588 66.030 -3.759 7.470 374 HB3 LYS 588 HB1 LYS 588 65.074 -4.378 8.813 375 HG2 LYS 588 HG2 LYS 588 66.010 -6.130 6.525 376 HG3 LYS 588 HG1 LYS 588 66.949 -5.898 7.998 377 HD2 LYS 588 HD2 LYS 588 65.739 -7.527 8.969 378 HD3 LYS 588 HD1 LYS 588 64.326 -6.478 8.863 379 HE2 LYS 588 HE2 LYS 588 63.725 -7.376 6.712 380 HE3 LYS 588 HE1 LYS 588 65.246 -8.259 6.593 381 HZ1 LYS 588 HZ1 LYS 588 63.299 -8.722 8.775 382 HZ2 LYS 588 HZ2 LYS 588 64.613 -9.698 8.319 383 HZ3 LYS 588 HZ3 LYS 588 63.248 -9.581 7.314 384 H GLU 589 HN GLU 589 62.602 -4.223 9.051 385 HA GLU 589 HA GLU 589 61.999 -1.352 8.571 386 HB2 GLU 589 HB2 GLU 589 59.695 -1.606 8.671 387 HB3 GLU 589 HB1 GLU 589 60.153 -3.076 7.811 388 HG2 GLU 589 HG2 GLU 589 60.326 -4.099 10.229 389 HG3 GLU 589 HG1 GLU 589 59.286 -2.744 10.671 390 H GLN 590 HN GLN 590 61.519 -0.164 10.429 391 HA GLN 590 HA GLN 590 61.535 -1.459 13.064 392 HB2 GLN 590 HB2 GLN 590 63.976 -1.098 12.333 393 HB3 GLN 590 HB1 GLN 590 63.636 0.626 12.437 394 HG2 GLN 590 HG2 GLN 590 64.548 0.028 14.554 395 HG3 GLN 590 HG1 GLN 590 62.813 0.188 14.816 396 HE21 GLN 590 HE21 GLN 590 64.476 -2.561 13.236 397 HE22 GLN 590 HE22 GLN 590 64.015 -3.712 14.396 398 H ASN 591 HN ASN 591 60.644 -0.043 14.643 399 HA ASN 591 HA ASN 591 59.253 1.703 15.352 400 HB2 ASN 591 HB2 ASN 591 61.287 3.114 13.626 401 HB3 ASN 591 HB1 ASN 591 60.007 4.002 14.445 402 HD21 ASN 591 HD21 ASN 591 63.165 2.979 14.844 403 HD22 ASN 591 HD22 ASN 591 63.239 2.978 16.539 404 H ASP 592 HN ASP 592 58.656 0.247 12.692 405 HA ASP 592 HA ASP 592 56.766 0.317 11.279 406 HB2 ASP 592 HB2 ASP 592 55.938 1.942 13.233 407 HB3 ASP 592 HB1 ASP 592 56.149 3.157 11.970 408 H LYS 593 HN LYS 593 59.461 1.172 10.493 409 HA LYS 593 HA LYS 593 58.670 2.655 8.067 410 HB2 LYS 593 HB2 LYS 593 61.143 3.819 8.757 411 HB3 LYS 593 HB1 LYS 593 59.569 4.605 8.726 412 HG2 LYS 593 HG2 LYS 593 59.350 3.478 11.134 413 HG3 LYS 593 HG1 LYS 593 61.105 3.535 11.056 414 HD2 LYS 593 HD2 LYS 593 60.416 5.585 12.074 415 HD3 LYS 593 HD1 LYS 593 60.884 5.986 10.423 416 HE2 LYS 593 HE2 LYS 593 58.677 6.995 11.255 417 HE3 LYS 593 HE1 LYS 593 58.614 6.149 9.709 418 HZ1 LYS 593 HZ1 LYS 593 57.453 4.423 10.591 419 HZ2 LYS 593 HZ2 LYS 593 56.897 5.657 11.617 420 HZ3 LYS 593 HZ3 LYS 593 58.119 4.598 12.141 421 HA PRO 594 HA PRO 594 61.428 -0.243 6.211 422 HB2 PRO 594 HB2 PRO 594 62.276 1.238 4.057 423 HB3 PRO 594 HB1 PRO 594 60.700 0.449 4.170 424 HG2 PRO 594 HG2 PRO 594 61.405 3.322 4.512 425 HG3 PRO 594 HG1 PRO 594 59.938 2.597 3.848 426 HD2 PRO 594 HD2 PRO 594 60.122 3.682 6.398 427 HD3 PRO 594 HD1 PRO 594 58.930 2.446 5.923 428 H TYR 595 HN TYR 595 63.599 -0.740 5.855 429 HA TYR 595 HA TYR 595 65.731 1.238 6.124 430 HB2 TYR 595 HB2 TYR 595 65.178 -0.785 8.323 431 HB3 TYR 595 HB1 TYR 595 66.724 0.033 8.131 432 HD1 TYR 595 HD1 TYR 595 63.485 0.217 9.589 433 HD2 TYR 595 HD2 TYR 595 66.651 2.644 8.006 434 HE1 TYR 595 HE1 TYR 595 62.601 2.176 10.817 435 HE2 TYR 595 HE2 TYR 595 65.761 4.605 9.239 436 HH TYR 595 HH TYR 595 63.652 5.364 10.199 437 H CYS 596 HN CYS 596 67.310 0.440 4.746 438 HA CYS 596 HA CYS 596 67.137 -2.060 3.454 439 HB2 CYS 596 HB2 CYS 596 69.886 -1.050 3.979 440 HB3 CYS 596 HB1 CYS 596 69.142 -1.533 2.458 441 H GLN 597 HN GLN 597 68.023 -4.097 3.913 442 HA GLN 597 HA GLN 597 68.143 -4.970 6.573 443 HB2 GLN 597 HB2 GLN 597 68.115 -6.827 5.249 444 HB3 GLN 597 HB1 GLN 597 68.950 -5.997 3.942 445 HG2 GLN 597 HG2 GLN 597 70.339 -7.832 4.776 446 HG3 GLN 597 HG1 GLN 597 71.102 -6.291 5.152 447 HE21 GLN 597 HE21 GLN 597 68.331 -6.932 7.113 448 HE22 GLN 597 HE22 GLN 597 69.160 -7.457 8.497 449 H ASN 598 HN ASN 598 70.692 -3.653 4.519 450 HA ASN 598 HA ASN 598 72.862 -4.066 6.364 451 HB2 ASN 598 HB2 ASN 598 74.134 -2.968 4.807 452 HB3 ASN 598 HB1 ASN 598 72.731 -3.243 3.780 453 HD21 ASN 598 HD21 ASN 598 74.003 -0.816 6.117 454 HD22 ASN 598 HD22 ASN 598 73.360 0.529 5.303 455 H CYS 599 HN CYS 599 70.530 -1.465 5.841 456 HA CYS 599 HA CYS 599 71.634 0.340 7.812 457 HB2 CYS 599 HB2 CYS 599 69.014 0.097 6.360 458 HB3 CYS 599 HB1 CYS 599 69.091 1.129 7.784 459 H PHE 600 HN PHE 600 68.705 -1.738 7.917 460 HA PHE 600 HA PHE 600 68.124 -1.564 10.660 461 HB2 PHE 600 HB2 PHE 600 66.633 -2.791 9.242 462 HB3 PHE 600 HB1 PHE 600 67.916 -3.859 8.692 463 HD1 PHE 600 HD1 PHE 600 68.856 -5.591 10.218 464 HD2 PHE 600 HD2 PHE 600 65.470 -3.184 11.320 465 HE1 PHE 600 HE1 PHE 600 68.305 -7.194 12.026 466 HE2 PHE 600 HE2 PHE 600 64.922 -4.790 13.129 467 HZ PHE 600 HZ PHE 600 66.338 -6.794 13.481 468 H LEU 601 HN LEU 601 70.388 -3.714 8.994 469 HA LEU 601 HA LEU 601 71.389 -5.120 11.261 470 HB2 LEU 601 HB2 LEU 601 71.837 -5.816 8.958 471 HB3 LEU 601 HB1 LEU 601 72.709 -4.320 8.648 472 HG LEU 601 HG LEU 601 74.258 -5.036 10.586 473 HD11 LEU 601 HD11 LEU 601 74.340 -7.491 10.943 474 HD12 LEU 601 HD12 LEU 601 72.897 -7.672 9.945 475 HD13 LEU 601 HD13 LEU 601 72.805 -6.808 11.480 476 HD21 LEU 601 HD21 LEU 601 75.183 -5.084 8.427 477 HD22 LEU 601 HD22 LEU 601 74.063 -6.328 7.872 478 HD23 LEU 601 HD23 LEU 601 75.381 -6.752 8.967 479 H LYS 602 HN LYS 602 71.922 -1.931 10.014 480 HA LYS 602 HA LYS 602 74.269 -1.385 11.711 481 HB2 LYS 602 HB2 LYS 602 73.410 -0.411 9.284 482 HB3 LYS 602 HB1 LYS 602 72.902 0.865 10.381 483 HG2 LYS 602 HG2 LYS 602 75.105 1.452 9.754 484 HG3 LYS 602 HG1 LYS 602 75.267 0.747 11.362 485 HD2 LYS 602 HD2 LYS 602 76.987 -0.284 10.089 486 HD3 LYS 602 HD1 LYS 602 75.700 -1.488 10.148 487 HE2 LYS 602 HE2 LYS 602 75.092 -1.146 7.922 488 HE3 LYS 602 HE1 LYS 602 75.760 0.486 7.884 489 HZ1 LYS 602 HZ1 LYS 602 77.991 -0.568 8.139 490 HZ2 LYS 602 HZ2 LYS 602 77.215 -0.902 6.665 491 HZ3 LYS 602 HZ3 LYS 602 77.253 -2.075 7.894 492 H LEU 603 HN LEU 603 70.823 -0.546 11.532 493 HA LEU 603 HA LEU 603 71.005 1.229 13.860 494 HB2 LEU 603 HB2 LEU 603 68.404 0.211 12.754 495 HB3 LEU 603 HB1 LEU 603 68.776 1.785 13.441 496 HG LEU 603 HG LEU 603 69.636 0.740 10.737 497 HD11 LEU 603 HD11 LEU 603 67.861 3.046 11.575 498 HD12 LEU 603 HD12 LEU 603 67.315 1.530 10.857 499 HD13 LEU 603 HD13 LEU 603 68.300 2.649 9.914 500 HD21 LEU 603 HD21 LEU 603 70.384 3.277 12.214 501 HD22 LEU 603 HD22 LEU 603 70.588 3.076 10.474 502 HD23 LEU 603 HD23 LEU 603 71.478 2.041 11.590 503 H PHE 604 HN PHE 604 69.246 -1.791 13.136 504 HA PHE 604 HA PHE 604 68.561 -2.251 15.907 505 HB2 PHE 604 HB2 PHE 604 67.439 -3.141 13.709 506 HB3 PHE 604 HB1 PHE 604 68.623 -4.439 13.851 507 HD1 PHE 604 HD1 PHE 604 68.258 -6.236 15.337 508 HD2 PHE 604 HD2 PHE 604 65.986 -2.617 15.780 509 HE1 PHE 604 HE1 PHE 604 66.851 -7.330 17.061 510 HE2 PHE 604 HE2 PHE 604 64.580 -3.711 17.504 511 HZ PHE 604 HZ PHE 604 65.012 -6.067 18.145 512 H CYS 605 HN CYS 605 71.359 -2.918 13.987 513 HA CYS 605 HA CYS 605 72.556 -4.328 16.313 514 HB2 CYS 605 HB2 CYS 605 71.602 -5.928 14.453 515 HB3 CYS 605 HB1 CYS 605 73.049 -5.450 13.568 516 HG CYS 605 HG CYS 605 74.336 -6.225 15.904 Start of MODEL 10 1 H TYR 541 HT1 TYR 541 36.967 3.119 -19.877 2 HA TYR 541 HA TYR 541 37.046 4.731 -18.200 3 HB2 TYR 541 HB2 TYR 541 37.409 4.135 -15.840 4 HB3 TYR 541 HB1 TYR 541 35.972 3.325 -16.460 5 HD1 TYR 541 HD1 TYR 541 39.476 2.882 -15.401 6 HD2 TYR 541 HD2 TYR 541 35.941 0.914 -16.846 7 HE1 TYR 541 HE1 TYR 541 40.457 0.684 -14.808 8 HE2 TYR 541 HE2 TYR 541 36.924 -1.284 -16.251 9 HH TYR 541 HH TYR 541 39.991 -1.861 -15.797 10 H HIS 542 HN HIS 542 39.101 5.330 -16.796 11 HA HIS 542 HA HIS 542 41.427 4.666 -18.437 12 HB2 HIS 542 HB2 HIS 542 41.008 6.443 -16.022 13 HB3 HIS 542 HB1 HIS 542 42.588 6.213 -16.770 14 HD1 HIS 542 HD1 HIS 542 39.069 7.283 -17.779 15 HD2 HIS 542 HD2 HIS 542 43.029 7.881 -18.935 16 HE1 HIS 542 HE1 HIS 542 39.022 9.012 -19.629 17 H GLU 543 HN GLU 543 41.890 5.002 -15.003 18 HA GLU 543 HA GLU 543 42.868 2.179 -14.910 19 HB2 GLU 543 HB2 GLU 543 44.436 2.893 -13.198 20 HB3 GLU 543 HB1 GLU 543 44.594 3.967 -14.588 21 HG2 GLU 543 HG2 GLU 543 44.305 5.663 -13.117 22 HG3 GLU 543 HG1 GLU 543 42.608 5.184 -13.098 23 H ARG 544 HN ARG 544 42.901 1.453 -12.430 24 HA ARG 544 HA ARG 544 40.430 2.347 -11.043 25 HB2 ARG 544 HB2 ARG 544 40.870 -0.290 -12.325 26 HB3 ARG 544 HB1 ARG 544 40.222 -0.342 -10.685 27 HG2 ARG 544 HG2 ARG 544 39.040 1.538 -12.714 28 HG3 ARG 544 HG1 ARG 544 38.561 -0.156 -12.694 29 HD2 ARG 544 HD2 ARG 544 38.414 0.511 -10.029 30 HD3 ARG 544 HD1 ARG 544 37.896 2.005 -10.805 31 HE ARG 544 HE ARG 544 36.256 -0.245 -10.482 32 HH11 ARG 544 HH11 ARG 544 34.555 -0.793 -11.834 33 HH12 ARG 544 HH12 ARG 544 34.487 -0.142 -13.437 34 HH21 ARG 544 HH21 ARG 544 37.406 1.681 -13.119 35 HH22 ARG 544 HH22 ARG 544 36.097 1.248 -14.161 36 H ARG 545 HN ARG 545 43.238 0.151 -10.956 37 HA ARG 545 HA ARG 545 43.361 0.526 -7.996 38 HB2 ARG 545 HB2 ARG 545 44.893 -1.504 -9.635 39 HB3 ARG 545 HB1 ARG 545 44.592 -1.516 -7.897 40 HG2 ARG 545 HG2 ARG 545 42.099 -1.597 -8.515 41 HG3 ARG 545 HG1 ARG 545 42.640 -2.013 -10.142 42 HD2 ARG 545 HD2 ARG 545 44.115 -3.784 -8.884 43 HD3 ARG 545 HD1 ARG 545 42.946 -3.562 -7.591 44 HE ARG 545 HE ARG 545 42.544 -5.176 -9.876 45 HH11 ARG 545 HH11 ARG 545 40.546 -5.659 -10.763 46 HH12 ARG 545 HH12 ARG 545 39.166 -4.702 -10.343 47 HH21 ARG 545 HH21 ARG 545 40.914 -2.616 -8.214 48 HH22 ARG 545 HH22 ARG 545 39.376 -2.983 -8.912 49 H GLY 546 HN GLY 546 46.288 -0.605 -9.125 50 HA2 GLY 546 HA2 GLY 546 48.263 0.532 -9.884 51 HA3 GLY 546 HA1 GLY 546 47.422 2.068 -9.682 52 H SER 547 HN SER 547 46.467 1.587 -7.016 53 HA SER 547 HA SER 547 47.131 1.776 -4.784 54 HB2 SER 547 HB2 SER 547 48.962 -0.147 -5.948 55 HB3 SER 547 HB1 SER 547 49.774 0.828 -4.732 56 HG SER 547 HG SER 547 47.295 -0.523 -4.409 57 H LEU 548 HN LEU 548 47.621 3.770 -4.020 58 HA LEU 548 HA LEU 548 49.384 5.559 -5.446 59 HB2 LEU 548 HB2 LEU 548 47.842 5.689 -2.879 60 HB3 LEU 548 HB1 LEU 548 49.095 6.886 -3.179 61 HG LEU 548 HG LEU 548 48.034 7.553 -5.266 62 HD11 LEU 548 HD11 LEU 548 47.130 5.525 -6.112 63 HD12 LEU 548 HD12 LEU 548 45.731 6.540 -5.764 64 HD13 LEU 548 HD13 LEU 548 46.181 5.247 -4.652 65 HD21 LEU 548 HD21 LEU 548 45.983 8.523 -4.370 66 HD22 LEU 548 HD22 LEU 548 47.222 8.544 -3.116 67 HD23 LEU 548 HD23 LEU 548 45.947 7.326 -3.075 68 H CYS 549 HN CYS 549 51.499 6.082 -5.026 69 HA CYS 549 HA CYS 549 53.033 4.280 -3.300 70 HB2 CYS 549 HB2 CYS 549 54.353 4.770 -5.117 71 HB3 CYS 549 HB1 CYS 549 53.623 6.354 -5.353 72 H SER 550 HN SER 550 52.942 4.709 -1.140 73 HA SER 550 HA SER 550 52.141 7.118 0.048 74 HB2 SER 550 HB2 SER 550 54.168 5.138 1.127 75 HB3 SER 550 HB1 SER 550 53.337 6.360 2.082 76 HG SER 550 HG SER 550 52.374 4.010 0.901 77 H GLY 551 HN GLY 551 52.993 9.041 -0.326 78 HA2 GLY 551 HA2 GLY 551 55.017 10.496 0.210 79 HA3 GLY 551 HA1 GLY 551 55.951 9.303 -0.707 80 H CYS 552 HN CYS 552 53.832 8.828 -2.637 81 HA CYS 552 HA CYS 552 54.117 11.312 -4.274 82 HB2 CYS 552 HB2 CYS 552 53.930 8.388 -4.894 83 HB3 CYS 552 HB1 CYS 552 53.294 9.533 -6.074 84 H GLN 553 HN GLN 553 51.849 9.030 -2.887 85 HA GLN 553 HA GLN 553 49.518 9.037 -2.751 86 HB2 GLN 553 HB2 GLN 553 50.171 11.962 -3.103 87 HB3 GLN 553 HB1 GLN 553 48.494 11.422 -3.027 88 HG2 GLN 553 HG2 GLN 553 49.549 12.099 -0.799 89 HG3 GLN 553 HG1 GLN 553 48.784 10.516 -0.837 90 HE21 GLN 553 HE21 GLN 553 51.815 12.181 -0.441 91 HE22 GLN 553 HE22 GLN 553 52.772 10.808 -0.172 92 H LYS 554 HN LYS 554 50.882 8.525 -5.277 93 HA LYS 554 HA LYS 554 48.598 9.037 -7.121 94 HB2 LYS 554 HB2 LYS 554 51.558 9.322 -7.748 95 HB3 LYS 554 HB1 LYS 554 50.298 9.256 -8.980 96 HG2 LYS 554 HG2 LYS 554 50.386 11.299 -6.741 97 HG3 LYS 554 HG1 LYS 554 50.967 11.596 -8.378 98 HD2 LYS 554 HD2 LYS 554 48.609 10.838 -9.136 99 HD3 LYS 554 HD1 LYS 554 48.142 11.086 -7.454 100 HE2 LYS 554 HE2 LYS 554 49.462 13.185 -9.201 101 HE3 LYS 554 HE1 LYS 554 47.734 13.105 -8.859 102 HZ1 LYS 554 HZ1 LYS 554 49.874 14.070 -7.216 103 HZ2 LYS 554 HZ2 LYS 554 48.889 12.949 -6.403 104 HZ3 LYS 554 HZ3 LYS 554 48.205 14.345 -7.089 105 HA PRO 555 HA PRO 555 48.546 4.646 -7.514 106 HB2 PRO 555 HB2 PRO 555 48.389 5.011 -10.431 107 HB3 PRO 555 HB1 PRO 555 47.254 4.229 -9.324 108 HG2 PRO 555 HG2 PRO 555 46.907 6.736 -10.490 109 HG3 PRO 555 HG1 PRO 555 46.028 6.134 -9.082 110 HD2 PRO 555 HD2 PRO 555 48.019 8.259 -9.198 111 HD3 PRO 555 HD1 PRO 555 47.027 7.745 -7.810 112 H ILE 556 HN ILE 556 49.842 2.914 -8.151 113 HA ILE 556 HA ILE 556 52.530 3.667 -9.198 114 HB ILE 556 HB ILE 556 51.566 1.380 -7.457 115 HG12 ILE 556 HG12 ILE 556 53.689 3.413 -6.785 116 HG13 ILE 556 HG11 ILE 556 51.987 3.823 -6.594 117 HG21 ILE 556 HG21 ILE 556 54.238 1.901 -8.779 118 HG22 ILE 556 HG22 ILE 556 53.282 0.419 -8.794 119 HG23 ILE 556 HG23 ILE 556 54.104 0.923 -7.318 120 HD11 ILE 556 HD11 ILE 556 53.675 2.060 -4.964 121 HD12 ILE 556 HD12 ILE 556 52.140 1.321 -5.419 122 HD13 ILE 556 HD13 ILE 556 52.157 2.856 -4.553 123 H THR 557 HN THR 557 52.191 3.438 -11.423 124 HA THR 557 HA THR 557 50.819 1.085 -12.498 125 HB THR 557 HB THR 557 51.533 2.078 -14.712 126 HG1 THR 557 HG1 THR 557 53.381 3.143 -14.028 127 HG21 THR 557 HG21 THR 557 50.156 4.218 -14.343 128 HG22 THR 557 HG22 THR 557 50.028 3.706 -12.660 129 HG23 THR 557 HG23 THR 557 49.372 2.690 -13.943 130 H GLY 558 HN GLY 558 52.011 -0.736 -11.986 131 HA2 GLY 558 HA2 GLY 558 53.735 -2.097 -13.351 132 HA3 GLY 558 HA1 GLY 558 54.864 -0.832 -12.858 133 H ARG 559 HN ARG 559 56.148 -2.320 -11.606 134 HA ARG 559 HA ARG 559 55.086 -4.057 -9.603 135 HB2 ARG 559 HB2 ARG 559 57.757 -2.793 -10.124 136 HB3 ARG 559 HB1 ARG 559 57.480 -3.560 -8.561 137 HG2 ARG 559 HG2 ARG 559 56.631 -5.093 -10.968 138 HG3 ARG 559 HG1 ARG 559 58.367 -4.931 -10.705 139 HD2 ARG 559 HD2 ARG 559 57.964 -6.824 -9.439 140 HD3 ARG 559 HD1 ARG 559 57.686 -5.591 -8.211 141 HE ARG 559 HE ARG 559 55.197 -5.946 -9.395 142 HH11 ARG 559 HH11 ARG 559 53.689 -7.436 -8.638 143 HH12 ARG 559 HH12 ARG 559 54.225 -8.813 -7.735 144 HH21 ARG 559 HH21 ARG 559 57.576 -7.956 -7.904 145 HH22 ARG 559 HH22 ARG 559 56.422 -9.108 -7.321 146 H CYS 560 HN CYS 560 55.235 -3.681 -7.212 147 HA CYS 560 HA CYS 560 55.300 -0.879 -6.332 148 HB2 CYS 560 HB2 CYS 560 53.026 -0.797 -5.529 149 HB3 CYS 560 HB1 CYS 560 52.974 -1.241 -7.234 150 HG CYS 560 HG CYS 560 53.041 -3.760 -5.615 151 H ILE 561 HN ILE 561 55.889 -0.739 -4.231 152 HA ILE 561 HA ILE 561 56.395 -3.270 -2.790 153 HB ILE 561 HB ILE 561 57.045 -0.537 -1.713 154 HG12 ILE 561 HG12 ILE 561 57.774 -0.516 -4.077 155 HG13 ILE 561 HG11 ILE 561 59.160 -0.577 -2.996 156 HG21 ILE 561 HG21 ILE 561 59.158 -2.022 -1.135 157 HG22 ILE 561 HG22 ILE 561 58.036 -3.349 -1.421 158 HG23 ILE 561 HG23 ILE 561 57.684 -2.150 -0.175 159 HD11 ILE 561 HD11 ILE 561 57.988 -2.804 -4.659 160 HD12 ILE 561 HD12 ILE 561 59.042 -3.141 -3.285 161 HD13 ILE 561 HD13 ILE 561 59.644 -2.198 -4.648 162 H THR 562 HN THR 562 55.627 -3.589 -0.609 163 HA THR 562 HA THR 562 53.331 -1.846 0.180 164 HB THR 562 HB THR 562 53.404 -4.878 0.305 165 HG1 THR 562 HG1 THR 562 53.036 -3.830 -1.778 166 HG21 THR 562 HG21 THR 562 52.116 -4.201 2.149 167 HG22 THR 562 HG22 THR 562 50.908 -4.401 0.880 168 HG23 THR 562 HG23 THR 562 51.481 -2.788 1.306 169 H ALA 563 HN ALA 563 54.184 -0.869 1.955 170 HA ALA 563 HA ALA 563 55.877 -2.410 3.824 171 HB1 ALA 563 HB1 ALA 563 54.986 0.480 4.018 172 HB2 ALA 563 HB2 ALA 563 56.422 -0.041 3.137 173 HB3 ALA 563 HB3 ALA 563 56.322 -0.282 4.882 174 H MET 564 HN MET 564 54.520 -0.289 5.816 175 HA MET 564 HA MET 564 52.821 -2.261 7.105 176 HB2 MET 564 HB2 MET 564 53.204 0.704 7.605 177 HB3 MET 564 HB1 MET 564 52.292 -0.373 8.661 178 HG2 MET 564 HG2 MET 564 54.338 -1.766 8.955 179 HG3 MET 564 HG1 MET 564 55.238 -0.605 7.980 180 HE1 MET 564 HE1 MET 564 55.528 -1.812 10.853 181 HE2 MET 564 HE2 MET 564 55.876 -0.534 12.015 182 HE3 MET 564 HE3 MET 564 56.824 -0.651 10.535 183 H ALA 565 HN ALA 565 51.716 -2.294 4.799 184 HA ALA 565 HA ALA 565 49.597 -2.124 3.779 185 HB1 ALA 565 HB1 ALA 565 47.790 -1.285 4.953 186 HB2 ALA 565 HB2 ALA 565 48.702 0.084 5.586 187 HB3 ALA 565 HB3 ALA 565 48.906 -1.516 6.298 188 H LYS 566 HN LYS 566 51.850 0.306 4.358 189 HA LYS 566 HA LYS 566 50.637 2.287 2.532 190 HB2 LYS 566 HB2 LYS 566 52.922 2.200 4.424 191 HB3 LYS 566 HB1 LYS 566 53.169 3.185 2.983 192 HG2 LYS 566 HG2 LYS 566 51.020 4.359 3.453 193 HG3 LYS 566 HG1 LYS 566 50.863 3.423 4.941 194 HD2 LYS 566 HD2 LYS 566 53.346 5.045 4.379 195 HD3 LYS 566 HD1 LYS 566 51.920 5.785 5.108 196 HE2 LYS 566 HE2 LYS 566 52.173 4.658 7.089 197 HE3 LYS 566 HE1 LYS 566 52.820 3.216 6.306 198 HZ1 LYS 566 HZ1 LYS 566 54.232 5.740 6.940 199 HZ2 LYS 566 HZ2 LYS 566 54.858 4.604 5.842 200 HZ3 LYS 566 HZ3 LYS 566 54.604 4.170 7.465 201 H LYS 567 HN LYS 567 51.187 2.436 0.385 202 HA LYS 567 HA LYS 567 53.069 0.409 -0.664 203 HB2 LYS 567 HB2 LYS 567 50.913 2.124 -1.867 204 HB3 LYS 567 HB1 LYS 567 52.137 1.389 -2.901 205 HG2 LYS 567 HG2 LYS 567 50.103 -0.039 -2.653 206 HG3 LYS 567 HG1 LYS 567 51.568 -0.830 -2.071 207 HD2 LYS 567 HD2 LYS 567 50.990 -0.513 0.195 208 HD3 LYS 567 HD1 LYS 567 49.821 0.754 -0.190 209 HE2 LYS 567 HE2 LYS 567 48.214 -0.766 -0.941 210 HE3 LYS 567 HE1 LYS 567 49.410 -2.019 -1.265 211 HZ1 LYS 567 HZ1 LYS 567 49.017 -1.066 1.488 212 HZ2 LYS 567 HZ2 LYS 567 49.562 -2.580 0.941 213 HZ3 LYS 567 HZ3 LYS 567 47.916 -2.175 0.828 214 H PHE 568 HN PHE 568 54.457 1.185 -2.548 215 HA PHE 568 HA PHE 568 55.344 3.997 -2.445 216 HB2 PHE 568 HB2 PHE 568 57.065 1.692 -1.474 217 HB3 PHE 568 HB1 PHE 568 57.738 3.235 -1.983 218 HD1 PHE 568 HD1 PHE 568 57.337 5.282 -0.665 219 HD2 PHE 568 HD2 PHE 568 55.818 1.466 0.599 220 HE1 PHE 568 HE1 PHE 568 56.931 6.193 1.605 221 HE2 PHE 568 HE2 PHE 568 55.408 2.381 2.866 222 HZ PHE 568 HZ PHE 568 55.966 4.743 3.370 223 H HIS 569 HN HIS 569 56.260 4.527 -4.451 224 HA HIS 569 HA HIS 569 56.108 2.690 -6.630 225 HB2 HIS 569 HB2 HIS 569 57.621 5.270 -6.203 226 HB3 HIS 569 HB1 HIS 569 57.887 4.320 -7.660 227 HD2 HIS 569 HD2 HIS 569 55.201 3.759 -9.010 228 HE1 HIS 569 HE1 HIS 569 53.725 7.498 -7.713 229 HE2 HIS 569 HE2 HIS 569 53.345 5.560 -9.320 230 HA PRO 570 HA PRO 570 59.465 -0.042 -5.593 231 HB2 PRO 570 HB2 PRO 570 60.029 -0.084 -8.499 232 HB3 PRO 570 HB1 PRO 570 59.632 -1.416 -7.407 233 HG2 PRO 570 HG2 PRO 570 57.872 -0.378 -9.248 234 HG3 PRO 570 HG1 PRO 570 57.388 -1.223 -7.777 235 HD2 PRO 570 HD2 PRO 570 57.153 1.640 -8.425 236 HD3 PRO 570 HD1 PRO 570 56.342 0.705 -7.144 237 H GLU 571 HN GLU 571 59.819 2.963 -7.152 238 HA GLU 571 HA GLU 571 62.793 2.879 -6.877 239 HB2 GLU 571 HB2 GLU 571 62.807 4.825 -8.401 240 HB3 GLU 571 HB1 GLU 571 62.000 3.443 -9.143 241 HG2 GLU 571 HG2 GLU 571 59.819 4.355 -8.628 242 HG3 GLU 571 HG1 GLU 571 60.534 5.655 -7.681 243 H HIS 572 HN HIS 572 59.890 4.192 -5.562 244 HA HIS 572 HA HIS 572 61.365 6.429 -4.266 245 HB2 HIS 572 HB2 HIS 572 58.401 5.774 -4.350 246 HB3 HIS 572 HB1 HIS 572 59.095 7.139 -3.474 247 HD2 HIS 572 HD2 HIS 572 61.349 7.526 -6.151 248 HE1 HIS 572 HE1 HIS 572 57.829 8.892 -8.028 249 HE2 HIS 572 HE2 HIS 572 60.365 8.837 -8.165 250 H PHE 573 HN PHE 573 60.349 3.238 -3.683 251 HA PHE 573 HA PHE 573 60.065 3.474 -0.785 252 HB2 PHE 573 HB2 PHE 573 59.005 1.624 -2.110 253 HB3 PHE 573 HB1 PHE 573 60.615 1.022 -2.488 254 HD1 PHE 573 HD1 PHE 573 61.345 -0.753 -1.178 255 HD2 PHE 573 HD2 PHE 573 58.769 2.202 0.572 256 HE1 PHE 573 HE1 PHE 573 61.398 -1.983 0.974 257 HE2 PHE 573 HE2 PHE 573 58.819 0.973 2.724 258 HZ PHE 573 HZ PHE 573 60.133 -1.119 2.925 259 H VAL 574 HN VAL 574 62.026 4.596 -0.274 260 HA VAL 574 HA VAL 574 64.536 3.062 -0.754 261 HB VAL 574 HB VAL 574 65.703 5.174 -0.233 262 HG11 VAL 574 HG11 VAL 574 65.423 5.923 -2.363 263 HG12 VAL 574 HG12 VAL 574 63.690 6.165 -2.150 264 HG13 VAL 574 HG13 VAL 574 64.316 4.560 -2.524 265 HG21 VAL 574 HG21 VAL 574 62.878 6.239 0.109 266 HG22 VAL 574 HG22 VAL 574 64.322 7.248 0.022 267 HG23 VAL 574 HG23 VAL 574 64.112 6.123 1.364 268 H CYS 575 HN CYS 575 66.180 3.361 1.085 269 HA CYS 575 HA CYS 575 65.023 2.273 3.521 270 HB2 CYS 575 HB2 CYS 575 67.175 1.461 2.852 271 HB3 CYS 575 HB1 CYS 575 67.822 3.091 2.712 272 H ALA 576 HN ALA 576 64.438 3.402 5.328 273 HA ALA 576 HA ALA 576 64.508 6.301 5.329 274 HB1 ALA 576 HB1 ALA 576 62.691 5.201 6.467 275 HB2 ALA 576 HB2 ALA 576 63.656 6.016 7.698 276 HB3 ALA 576 HB3 ALA 576 63.808 4.274 7.469 277 H PHE 577 HN PHE 577 67.138 5.180 5.077 278 HA PHE 577 HA PHE 577 68.430 6.441 7.436 279 HB2 PHE 577 HB2 PHE 577 68.302 3.795 7.487 280 HB3 PHE 577 HB1 PHE 577 69.617 3.916 6.321 281 HD1 PHE 577 HD1 PHE 577 71.820 4.257 7.061 282 HD2 PHE 577 HD2 PHE 577 68.544 5.169 9.688 283 HE1 PHE 577 HE1 PHE 577 73.418 4.689 8.906 284 HE2 PHE 577 HE2 PHE 577 70.143 5.600 11.532 285 HZ PHE 577 HZ PHE 577 72.580 5.361 11.141 286 H CYS 578 HN CYS 578 69.301 4.670 4.463 287 HA CYS 578 HA CYS 578 71.243 6.823 3.800 288 HB2 CYS 578 HB2 CYS 578 71.832 5.154 1.920 289 HB3 CYS 578 HB1 CYS 578 72.235 4.679 3.568 290 H LEU 579 HN LEU 579 68.124 5.645 2.978 291 HA LEU 579 HA LEU 579 66.567 6.266 1.351 292 HB2 LEU 579 HB2 LEU 579 68.250 8.792 1.340 293 HB3 LEU 579 HB1 LEU 579 66.617 8.644 0.692 294 HG LEU 579 HG LEU 579 66.310 7.629 3.234 295 HD11 LEU 579 HD11 LEU 579 68.097 10.058 3.495 296 HD12 LEU 579 HD12 LEU 579 68.691 8.409 3.681 297 HD13 LEU 579 HD13 LEU 579 67.470 9.035 4.788 298 HD21 LEU 579 HD21 LEU 579 65.250 9.831 3.726 299 HD22 LEU 579 HD22 LEU 579 64.808 9.221 2.132 300 HD23 LEU 579 HD23 LEU 579 66.016 10.498 2.284 301 H LYS 580 HN LYS 580 69.302 5.093 0.504 302 HA LYS 580 HA LYS 580 69.839 6.206 -2.118 303 HB2 LYS 580 HB2 LYS 580 71.221 4.189 -2.449 304 HB3 LYS 580 HB1 LYS 580 71.535 4.905 -0.869 305 HG2 LYS 580 HG2 LYS 580 69.732 3.265 0.015 306 HG3 LYS 580 HG1 LYS 580 69.947 2.421 -1.518 307 HD2 LYS 580 HD2 LYS 580 72.551 2.939 -0.545 308 HD3 LYS 580 HD1 LYS 580 71.618 2.355 0.833 309 HE2 LYS 580 HE2 LYS 580 72.592 0.446 -0.325 310 HE3 LYS 580 HE1 LYS 580 70.844 0.430 -0.560 311 HZ1 LYS 580 HZ1 LYS 580 71.086 0.688 -2.740 312 HZ2 LYS 580 HZ2 LYS 580 72.739 0.360 -2.526 313 HZ3 LYS 580 HZ3 LYS 580 72.186 1.966 -2.558 314 H GLN 581 HN GLN 581 68.250 3.186 -1.066 315 HA GLN 581 HA GLN 581 66.062 3.348 -2.856 316 HB2 GLN 581 HB2 GLN 581 68.403 2.708 -4.240 317 HB3 GLN 581 HB1 GLN 581 67.653 1.144 -3.948 318 HG2 GLN 581 HG2 GLN 581 65.637 3.052 -4.743 319 HG3 GLN 581 HG1 GLN 581 66.945 3.044 -5.923 320 HE21 GLN 581 HE21 GLN 581 64.418 1.069 -4.448 321 HE22 GLN 581 HE22 GLN 581 64.531 -0.218 -5.546 322 H LEU 582 HN LEU 582 64.776 1.311 -2.731 323 HA LEU 582 HA LEU 582 65.800 -0.808 -0.995 324 HB2 LEU 582 HB2 LEU 582 64.928 1.278 0.402 325 HB3 LEU 582 HB1 LEU 582 63.358 0.550 0.076 326 HG LEU 582 HG LEU 582 64.307 -1.629 0.933 327 HD11 LEU 582 HD11 LEU 582 66.535 -1.714 1.243 328 HD12 LEU 582 HD12 LEU 582 66.314 -0.644 2.626 329 HD13 LEU 582 HD13 LEU 582 66.682 0.031 1.042 330 HD21 LEU 582 HD21 LEU 582 63.833 0.836 2.547 331 HD22 LEU 582 HD22 LEU 582 64.432 -0.591 3.393 332 HD23 LEU 582 HD23 LEU 582 62.912 -0.666 2.502 333 H ASN 583 HN ASN 583 64.187 -2.542 -0.690 334 HA ASN 583 HA ASN 583 61.770 -2.472 -2.357 335 HB2 ASN 583 HB2 ASN 583 63.431 -3.042 -4.045 336 HB3 ASN 583 HB1 ASN 583 64.113 -4.291 -3.003 337 HD21 ASN 583 HD21 ASN 583 63.529 -6.255 -3.969 338 HD22 ASN 583 HD22 ASN 583 61.957 -6.655 -4.468 339 H LYS 584 HN LYS 584 60.250 -3.753 -1.412 340 HA LYS 584 HA LYS 584 60.548 -4.954 1.103 341 HB2 LYS 584 HB2 LYS 584 58.333 -4.583 0.355 342 HB3 LYS 584 HB1 LYS 584 58.619 -5.421 -1.167 343 HG2 LYS 584 HG2 LYS 584 57.266 -6.846 0.262 344 HG3 LYS 584 HG1 LYS 584 58.868 -7.561 0.111 345 HD2 LYS 584 HD2 LYS 584 58.224 -7.654 2.443 346 HD3 LYS 584 HD1 LYS 584 59.493 -6.442 2.279 347 HE2 LYS 584 HE2 LYS 584 58.053 -4.677 2.668 348 HE3 LYS 584 HE1 LYS 584 56.662 -5.528 1.995 349 HZ1 LYS 584 HZ1 LYS 584 56.139 -6.369 3.973 350 HZ2 LYS 584 HZ2 LYS 584 57.200 -5.220 4.636 351 HZ3 LYS 584 HZ3 LYS 584 57.739 -6.802 4.328 352 H GLY 585 HN GLY 585 61.325 -6.216 -2.051 353 HA2 GLY 585 HA2 GLY 585 61.355 -8.957 -1.759 354 HA3 GLY 585 HA1 GLY 585 62.612 -8.092 -2.633 355 H THR 586 HN THR 586 63.790 -6.717 -0.402 356 HA THR 586 HA THR 586 64.530 -8.828 1.531 357 HB THR 586 HB THR 586 66.990 -8.513 0.994 358 HG1 THR 586 HG1 THR 586 65.875 -7.381 -1.356 359 HG21 THR 586 HG21 THR 586 66.986 -10.154 -0.748 360 HG22 THR 586 HG22 THR 586 65.403 -9.636 -1.325 361 HG23 THR 586 HG23 THR 586 65.548 -10.466 0.224 362 H PHE 587 HN PHE 587 63.283 -6.208 1.851 363 HA PHE 587 HA PHE 587 65.464 -4.565 3.011 364 HB2 PHE 587 HB2 PHE 587 64.042 -2.768 2.909 365 HB3 PHE 587 HB1 PHE 587 63.248 -3.747 1.692 366 HD1 PHE 587 HD1 PHE 587 61.699 -5.715 2.988 367 HD2 PHE 587 HD2 PHE 587 62.536 -1.722 4.338 368 HE1 PHE 587 HE1 PHE 587 59.647 -5.751 4.377 369 HE2 PHE 587 HE2 PHE 587 60.481 -1.761 5.723 370 HZ PHE 587 HZ PHE 587 59.037 -3.775 5.744 371 H LYS 588 HN LYS 588 64.625 -3.487 5.170 372 HA LYS 588 HA LYS 588 63.393 -5.483 6.983 373 HB2 LYS 588 HB2 LYS 588 66.153 -4.282 7.227 374 HB3 LYS 588 HB1 LYS 588 65.260 -4.766 8.665 375 HG2 LYS 588 HG2 LYS 588 65.736 -6.632 6.325 376 HG3 LYS 588 HG1 LYS 588 66.831 -6.522 7.702 377 HD2 LYS 588 HD2 LYS 588 65.516 -7.974 8.806 378 HD3 LYS 588 HD1 LYS 588 64.248 -6.749 8.815 379 HE2 LYS 588 HE2 LYS 588 63.335 -7.567 6.745 380 HE3 LYS 588 HE1 LYS 588 64.712 -8.639 6.495 381 HZ1 LYS 588 HZ1 LYS 588 62.705 -9.755 7.390 382 HZ2 LYS 588 HZ2 LYS 588 62.862 -8.830 8.806 383 HZ3 LYS 588 HZ3 LYS 588 64.077 -9.934 8.370 384 H GLU 589 HN GLU 589 62.979 -4.263 9.190 385 HA GLU 589 HA GLU 589 62.717 -1.347 8.760 386 HB2 GLU 589 HB2 GLU 589 60.407 -1.243 8.994 387 HB3 GLU 589 HB1 GLU 589 60.588 -2.727 8.059 388 HG2 GLU 589 HG2 GLU 589 60.720 -3.876 10.415 389 HG3 GLU 589 HG1 GLU 589 59.946 -2.394 10.979 390 H GLN 590 HN GLN 590 62.455 -0.159 10.676 391 HA GLN 590 HA GLN 590 62.431 -1.522 13.275 392 HB2 GLN 590 HB2 GLN 590 64.858 -1.501 12.434 393 HB3 GLN 590 HB1 GLN 590 64.782 0.252 12.568 394 HG2 GLN 590 HG2 GLN 590 65.698 -0.497 14.631 395 HG3 GLN 590 HG1 GLN 590 64.018 -0.100 14.984 396 HE21 GLN 590 HE21 GLN 590 65.209 -3.029 13.301 397 HE22 GLN 590 HE22 GLN 590 64.644 -4.122 14.470 398 H ASN 591 HN ASN 591 61.912 0.000 14.955 399 HA ASN 591 HA ASN 591 60.833 1.914 15.772 400 HB2 ASN 591 HB2 ASN 591 62.855 3.067 13.847 401 HB3 ASN 591 HB1 ASN 591 61.802 4.095 14.813 402 HD21 ASN 591 HD21 ASN 591 64.816 2.634 14.846 403 HD22 ASN 591 HD22 ASN 591 65.077 2.593 16.522 404 H ASP 592 HN ASP 592 59.860 0.575 13.133 405 HA ASP 592 HA ASP 592 57.868 0.891 11.907 406 HB2 ASP 592 HB2 ASP 592 57.421 2.586 13.928 407 HB3 ASP 592 HB1 ASP 592 57.656 3.776 12.646 408 H LYS 593 HN LYS 593 60.590 1.454 10.908 409 HA LYS 593 HA LYS 593 59.755 3.020 8.542 410 HB2 LYS 593 HB2 LYS 593 62.373 3.909 8.926 411 HB3 LYS 593 HB1 LYS 593 60.908 4.854 9.170 412 HG2 LYS 593 HG2 LYS 593 60.851 3.883 11.542 413 HG3 LYS 593 HG1 LYS 593 62.492 3.324 11.234 414 HD2 LYS 593 HD2 LYS 593 63.059 5.373 12.064 415 HD3 LYS 593 HD1 LYS 593 62.718 5.899 10.416 416 HE2 LYS 593 HE2 LYS 593 60.370 6.384 11.083 417 HE3 LYS 593 HE1 LYS 593 60.768 5.929 12.740 418 HZ1 LYS 593 HZ1 LYS 593 62.715 7.699 12.086 419 HZ2 LYS 593 HZ2 LYS 593 61.322 8.056 12.992 420 HZ3 LYS 593 HZ3 LYS 593 61.351 8.354 11.320 421 HA PRO 594 HA PRO 594 61.940 -0.191 6.458 422 HB2 PRO 594 HB2 PRO 594 62.778 1.185 4.231 423 HB3 PRO 594 HB1 PRO 594 61.129 0.605 4.487 424 HG2 PRO 594 HG2 PRO 594 62.226 3.361 4.761 425 HG3 PRO 594 HG1 PRO 594 60.628 2.836 4.225 426 HD2 PRO 594 HD2 PRO 594 61.157 3.866 6.746 427 HD3 PRO 594 HD1 PRO 594 59.788 2.785 6.379 428 H TYR 595 HN TYR 595 63.989 -0.959 5.902 429 HA TYR 595 HA TYR 595 66.373 0.728 5.986 430 HB2 TYR 595 HB2 TYR 595 65.764 -1.250 8.212 431 HB3 TYR 595 HB1 TYR 595 67.378 -0.630 7.886 432 HD1 TYR 595 HD1 TYR 595 67.435 2.054 7.586 433 HD2 TYR 595 HD2 TYR 595 64.525 -0.151 9.840 434 HE1 TYR 595 HE1 TYR 595 66.921 4.086 8.912 435 HE2 TYR 595 HE2 TYR 595 64.015 1.880 11.164 436 HH TYR 595 HH TYR 595 65.133 4.994 10.258 437 H CYS 596 HN CYS 596 67.715 -0.244 4.471 438 HA CYS 596 HA CYS 596 67.102 -2.679 3.184 439 HB2 CYS 596 HB2 CYS 596 69.996 -2.053 3.449 440 HB3 CYS 596 HB1 CYS 596 69.048 -2.380 2.002 441 H GLN 597 HN GLN 597 67.746 -4.821 3.555 442 HA GLN 597 HA GLN 597 68.004 -5.746 6.187 443 HB2 GLN 597 HB2 GLN 597 67.599 -7.551 4.843 444 HB3 GLN 597 HB1 GLN 597 68.450 -6.825 3.485 445 HG2 GLN 597 HG2 GLN 597 69.613 -8.855 4.216 446 HG3 GLN 597 HG1 GLN 597 70.616 -7.442 4.521 447 HE21 GLN 597 HE21 GLN 597 67.954 -7.680 6.705 448 HE22 GLN 597 HE22 GLN 597 68.805 -8.331 8.019 449 H ASN 598 HN ASN 598 70.488 -4.740 3.901 450 HA ASN 598 HA ASN 598 72.764 -5.449 5.516 451 HB2 ASN 598 HB2 ASN 598 72.890 -4.940 3.076 452 HB3 ASN 598 HB1 ASN 598 72.496 -3.259 3.429 453 HD21 ASN 598 HD21 ASN 598 74.063 -2.316 5.268 454 HD22 ASN 598 HD22 ASN 598 75.708 -2.676 5.055 455 H CYS 599 HN CYS 599 70.723 -2.569 5.244 456 HA CYS 599 HA CYS 599 72.269 -0.953 7.091 457 HB2 CYS 599 HB2 CYS 599 69.533 -0.796 5.865 458 HB3 CYS 599 HB1 CYS 599 69.855 0.174 7.298 459 H PHE 600 HN PHE 600 69.102 -2.608 7.447 460 HA PHE 600 HA PHE 600 68.778 -2.392 10.228 461 HB2 PHE 600 HB2 PHE 600 67.026 -3.382 8.926 462 HB3 PHE 600 HB1 PHE 600 68.101 -4.617 8.286 463 HD1 PHE 600 HD1 PHE 600 65.966 -3.628 11.075 464 HD2 PHE 600 HD2 PHE 600 68.911 -6.466 9.756 465 HE1 PHE 600 HE1 PHE 600 65.327 -5.154 12.922 466 HE2 PHE 600 HE2 PHE 600 68.274 -7.987 11.607 467 HZ PHE 600 HZ PHE 600 66.481 -7.331 13.188 468 H LEU 601 HN LEU 601 70.583 -4.813 8.380 469 HA LEU 601 HA LEU 601 71.560 -6.377 10.547 470 HB2 LEU 601 HB2 LEU 601 71.749 -7.083 8.213 471 HB3 LEU 601 HB1 LEU 601 72.773 -5.701 7.849 472 HG LEU 601 HG LEU 601 74.372 -6.631 9.643 473 HD11 LEU 601 HD11 LEU 601 72.807 -8.209 10.675 474 HD12 LEU 601 HD12 LEU 601 74.165 -9.092 9.978 475 HD13 LEU 601 HD13 LEU 601 72.614 -9.053 9.139 476 HD21 LEU 601 HD21 LEU 601 73.789 -7.789 6.936 477 HD22 LEU 601 HD22 LEU 601 75.064 -8.514 7.919 478 HD23 LEU 601 HD23 LEU 601 75.162 -6.814 7.461 479 H LYS 602 HN LYS 602 72.439 -3.270 9.274 480 HA LYS 602 HA LYS 602 74.941 -3.068 10.811 481 HB2 LYS 602 HB2 LYS 602 74.068 -1.963 8.453 482 HB3 LYS 602 HB1 LYS 602 73.791 -0.644 9.580 483 HG2 LYS 602 HG2 LYS 602 76.014 -0.365 8.771 484 HG3 LYS 602 HG1 LYS 602 76.164 -1.003 10.408 485 HD2 LYS 602 HD2 LYS 602 77.686 -2.289 9.095 486 HD3 LYS 602 HD1 LYS 602 76.282 -3.329 9.332 487 HE2 LYS 602 HE2 LYS 602 75.498 -2.974 7.134 488 HE3 LYS 602 HE1 LYS 602 76.503 -1.543 6.911 489 HZ1 LYS 602 HZ1 LYS 602 77.578 -4.282 7.293 490 HZ2 LYS 602 HZ2 LYS 602 78.452 -2.887 6.872 491 HZ3 LYS 602 HZ3 LYS 602 77.343 -3.563 5.775 492 H LEU 603 HN LEU 603 71.642 -1.751 10.875 493 HA LEU 603 HA LEU 603 72.234 -0.052 13.190 494 HB2 LEU 603 HB2 LEU 603 69.443 -0.688 12.277 495 HB3 LEU 603 HB1 LEU 603 70.079 0.811 12.937 496 HG LEU 603 HG LEU 603 70.593 -0.310 10.177 497 HD11 LEU 603 HD11 LEU 603 68.408 0.797 10.505 498 HD12 LEU 603 HD12 LEU 603 69.453 1.734 9.436 499 HD13 LEU 603 HD13 LEU 603 69.237 2.230 11.115 500 HD21 LEU 603 HD21 LEU 603 72.648 0.724 10.930 501 HD22 LEU 603 HD22 LEU 603 71.766 2.106 11.582 502 HD23 LEU 603 HD23 LEU 603 71.848 1.853 9.838 503 H PHE 604 HN PHE 604 70.003 -2.778 12.606 504 HA PHE 604 HA PHE 604 69.481 -3.172 15.419 505 HB2 PHE 604 HB2 PHE 604 68.056 -3.872 13.356 506 HB3 PHE 604 HB1 PHE 604 69.090 -5.300 13.326 507 HD1 PHE 604 HD1 PHE 604 66.904 -3.281 15.594 508 HD2 PHE 604 HD2 PHE 604 68.670 -7.111 14.777 509 HE1 PHE 604 HE1 PHE 604 65.568 -4.287 17.424 510 HE2 PHE 604 HE2 PHE 604 67.334 -8.117 16.608 511 HZ PHE 604 HZ PHE 604 65.783 -6.705 17.931 512 H CYS 605 HN CYS 605 71.993 -4.219 13.279 513 HA CYS 605 HA CYS 605 73.162 -5.797 15.513 514 HB2 CYS 605 HB2 CYS 605 71.871 -7.227 13.722 515 HB3 CYS 605 HB1 CYS 605 73.299 -6.932 12.733 516 HG CYS 605 HG CYS 605 74.663 -7.922 14.915 Start of MODEL 11 1 H TYR 541 HT1 TYR 541 41.294 0.472 -16.782 2 HA TYR 541 HA TYR 541 42.776 2.674 -15.840 3 HB2 TYR 541 HB2 TYR 541 42.563 1.946 -18.194 4 HB3 TYR 541 HB1 TYR 541 40.844 2.336 -18.159 5 HD1 TYR 541 HD1 TYR 541 40.105 4.521 -18.644 6 HD2 TYR 541 HD2 TYR 541 44.228 3.848 -17.639 7 HE1 TYR 541 HE1 TYR 541 40.628 6.880 -19.203 8 HE2 TYR 541 HE2 TYR 541 44.749 6.206 -18.199 9 HH TYR 541 HH TYR 541 43.219 8.051 -19.984 10 H HIS 542 HN HIS 542 41.950 4.902 -15.701 11 HA HIS 542 HA HIS 542 40.573 6.500 -14.696 12 HB2 HIS 542 HB2 HIS 542 39.277 6.034 -16.777 13 HB3 HIS 542 HB1 HIS 542 38.361 4.812 -15.900 14 HD1 HIS 542 HD1 HIS 542 36.942 5.718 -13.795 15 HD2 HIS 542 HD2 HIS 542 38.385 8.647 -16.386 16 HE1 HIS 542 HE1 HIS 542 35.647 7.832 -13.278 17 H GLU 543 HN GLU 543 38.071 4.063 -14.326 18 HA GLU 543 HA GLU 543 37.751 4.544 -11.536 19 HB2 GLU 543 HB2 GLU 543 36.983 2.062 -13.107 20 HB3 GLU 543 HB1 GLU 543 36.322 2.548 -11.545 21 HG2 GLU 543 HG2 GLU 543 35.589 4.717 -12.661 22 HG3 GLU 543 HG1 GLU 543 36.012 3.968 -14.202 23 H ARG 544 HN ARG 544 39.630 2.118 -13.307 24 HA ARG 544 HA ARG 544 40.483 0.775 -10.840 25 HB2 ARG 544 HB2 ARG 544 40.219 -0.239 -13.247 26 HB3 ARG 544 HB1 ARG 544 41.837 0.415 -13.501 27 HG2 ARG 544 HG2 ARG 544 41.162 -1.308 -11.108 28 HG3 ARG 544 HG1 ARG 544 41.702 -1.998 -12.636 29 HD2 ARG 544 HD2 ARG 544 43.635 -0.192 -12.386 30 HD3 ARG 544 HD1 ARG 544 43.217 -0.315 -10.677 31 HE ARG 544 HE ARG 544 43.473 -2.955 -11.508 32 HH11 ARG 544 HH11 ARG 544 45.422 -4.081 -11.406 33 HH12 ARG 544 HH12 ARG 544 46.917 -3.207 -11.406 34 HH21 ARG 544 HH21 ARG 544 45.408 -0.094 -11.585 35 HH22 ARG 544 HH22 ARG 544 46.909 -0.954 -11.509 36 H ARG 545 HN ARG 545 41.972 1.744 -9.558 37 HA ARG 545 HA ARG 545 43.937 3.619 -10.766 38 HB2 ARG 545 HB2 ARG 545 43.434 3.021 -7.838 39 HB3 ARG 545 HB1 ARG 545 44.358 4.366 -8.499 40 HG2 ARG 545 HG2 ARG 545 42.438 5.554 -8.428 41 HG3 ARG 545 HG1 ARG 545 41.918 4.574 -9.798 42 HD2 ARG 545 HD2 ARG 545 40.193 4.013 -8.414 43 HD3 ARG 545 HD1 ARG 545 41.367 2.876 -7.751 44 HE ARG 545 HE ARG 545 41.815 5.208 -6.318 45 HH11 ARG 545 HH11 ARG 545 40.751 5.680 -4.387 46 HH12 ARG 545 HH12 ARG 545 39.211 4.961 -4.061 47 HH21 ARG 545 HH21 ARG 545 39.101 3.199 -7.041 48 HH22 ARG 545 HH22 ARG 545 38.278 3.558 -5.561 49 H GLY 546 HN GLY 546 44.120 1.240 -8.113 50 HA2 GLY 546 HA2 GLY 546 45.637 -0.777 -8.702 51 HA3 GLY 546 HA1 GLY 546 46.799 0.470 -9.154 52 H SER 547 HN SER 547 47.848 1.649 -7.531 53 HA SER 547 HA SER 547 47.117 1.408 -4.723 54 HB2 SER 547 HB2 SER 547 48.973 -0.513 -5.891 55 HB3 SER 547 HB1 SER 547 49.743 0.427 -4.619 56 HG SER 547 HG SER 547 47.267 -0.962 -4.442 57 H LEU 548 HN LEU 548 47.646 3.405 -3.964 58 HA LEU 548 HA LEU 548 49.401 5.162 -5.426 59 HB2 LEU 548 HB2 LEU 548 47.928 5.318 -2.821 60 HB3 LEU 548 HB1 LEU 548 49.189 6.498 -3.155 61 HG LEU 548 HG LEU 548 48.088 7.164 -5.226 62 HD11 LEU 548 HD11 LEU 548 47.123 5.156 -6.037 63 HD12 LEU 548 HD12 LEU 548 45.749 6.187 -5.643 64 HD13 LEU 548 HD13 LEU 548 46.221 4.890 -4.545 65 HD21 LEU 548 HD21 LEU 548 47.352 8.196 -3.072 66 HD22 LEU 548 HD22 LEU 548 46.064 6.996 -2.971 67 HD23 LEU 548 HD23 LEU 548 46.072 8.172 -4.284 68 H CYS 549 HN CYS 549 51.526 5.660 -5.077 69 HA CYS 549 HA CYS 549 53.100 3.849 -3.400 70 HB2 CYS 549 HB2 CYS 549 54.365 4.331 -5.258 71 HB3 CYS 549 HB1 CYS 549 53.634 5.917 -5.474 72 H SER 550 HN SER 550 53.113 4.279 -1.237 73 HA SER 550 HA SER 550 52.357 6.693 -0.027 74 HB2 SER 550 HB2 SER 550 54.450 4.770 1.028 75 HB3 SER 550 HB1 SER 550 53.517 5.918 1.980 76 HG SER 550 HG SER 550 52.720 3.544 0.705 77 H GLY 551 HN GLY 551 53.210 8.611 -0.438 78 HA2 GLY 551 HA2 GLY 551 55.265 10.049 0.031 79 HA3 GLY 551 HA1 GLY 551 56.156 8.847 -0.915 80 H CYS 552 HN CYS 552 53.971 8.387 -2.772 81 HA CYS 552 HA CYS 552 54.221 10.868 -4.422 82 HB2 CYS 552 HB2 CYS 552 54.002 7.945 -5.033 83 HB3 CYS 552 HB1 CYS 552 53.325 9.090 -6.191 84 H GLN 553 HN GLN 553 51.981 8.610 -2.951 85 HA GLN 553 HA GLN 553 49.655 8.632 -2.749 86 HB2 GLN 553 HB2 GLN 553 50.317 11.551 -3.137 87 HB3 GLN 553 HB1 GLN 553 48.640 11.022 -3.008 88 HG2 GLN 553 HG2 GLN 553 49.772 11.706 -0.817 89 HG3 GLN 553 HG1 GLN 553 48.983 10.135 -0.822 90 HE21 GLN 553 HE21 GLN 553 52.049 11.754 -0.523 91 HE22 GLN 553 HE22 GLN 553 52.992 10.367 -0.273 92 H LYS 554 HN LYS 554 50.948 8.099 -5.306 93 HA LYS 554 HA LYS 554 48.620 8.610 -7.095 94 HB2 LYS 554 HB2 LYS 554 51.565 8.912 -7.772 95 HB3 LYS 554 HB1 LYS 554 50.303 8.784 -8.996 96 HG2 LYS 554 HG2 LYS 554 50.364 10.895 -6.818 97 HG3 LYS 554 HG1 LYS 554 50.920 11.153 -8.471 98 HD2 LYS 554 HD2 LYS 554 48.542 10.263 -9.129 99 HD3 LYS 554 HD1 LYS 554 48.125 10.686 -7.469 100 HE2 LYS 554 HE2 LYS 554 48.907 12.990 -7.844 101 HE3 LYS 554 HE1 LYS 554 49.357 12.575 -9.499 102 HZ1 LYS 554 HZ1 LYS 554 46.925 11.831 -9.695 103 HZ2 LYS 554 HZ2 LYS 554 47.263 13.496 -9.726 104 HZ3 LYS 554 HZ3 LYS 554 46.666 12.774 -8.309 105 HA PRO 555 HA PRO 555 48.532 4.219 -7.480 106 HB2 PRO 555 HB2 PRO 555 48.377 4.594 -10.402 107 HB3 PRO 555 HB1 PRO 555 47.246 3.795 -9.302 108 HG2 PRO 555 HG2 PRO 555 46.876 6.304 -10.442 109 HG3 PRO 555 HG1 PRO 555 46.019 5.699 -9.023 110 HD2 PRO 555 HD2 PRO 555 48.006 7.827 -9.165 111 HD3 PRO 555 HD1 PRO 555 47.030 7.315 -7.766 112 H ILE 556 HN ILE 556 49.815 2.477 -8.105 113 HA ILE 556 HA ILE 556 52.505 3.207 -9.156 114 HB ILE 556 HB ILE 556 51.522 0.944 -7.399 115 HG12 ILE 556 HG12 ILE 556 53.682 2.946 -6.760 116 HG13 ILE 556 HG11 ILE 556 51.989 3.391 -6.570 117 HG21 ILE 556 HG21 ILE 556 54.255 1.441 -8.620 118 HG22 ILE 556 HG22 ILE 556 53.231 0.025 -8.848 119 HG23 ILE 556 HG23 ILE 556 53.972 0.333 -7.278 120 HD11 ILE 556 HD11 ILE 556 53.554 2.019 -4.705 121 HD12 ILE 556 HD12 ILE 556 52.537 0.769 -5.420 122 HD13 ILE 556 HD13 ILE 556 51.800 2.186 -4.672 123 H THR 557 HN THR 557 52.205 2.965 -11.374 124 HA THR 557 HA THR 557 50.772 0.672 -12.477 125 HB THR 557 HB THR 557 51.574 1.605 -14.669 126 HG1 THR 557 HG1 THR 557 53.518 2.495 -13.706 127 HG21 THR 557 HG21 THR 557 50.086 3.205 -12.618 128 HG22 THR 557 HG22 THR 557 49.502 2.487 -14.119 129 HG23 THR 557 HG23 THR 557 50.465 3.963 -14.165 130 H GLY 558 HN GLY 558 51.678 -1.294 -12.535 131 HA2 GLY 558 HA2 GLY 558 53.410 -2.724 -13.599 132 HA3 GLY 558 HA1 GLY 558 54.609 -1.533 -13.081 133 H ARG 559 HN ARG 559 55.776 -3.046 -11.771 134 HA ARG 559 HA ARG 559 54.520 -4.688 -9.784 135 HB2 ARG 559 HB2 ARG 559 56.931 -4.422 -8.701 136 HB3 ARG 559 HB1 ARG 559 56.673 -5.423 -10.130 137 HG2 ARG 559 HG2 ARG 559 57.190 -2.525 -10.553 138 HG3 ARG 559 HG1 ARG 559 58.543 -3.534 -10.063 139 HD2 ARG 559 HD2 ARG 559 58.633 -4.600 -12.067 140 HD3 ARG 559 HD1 ARG 559 56.875 -4.728 -12.163 141 HE ARG 559 HE ARG 559 57.386 -2.033 -12.612 142 HH11 ARG 559 HH11 ARG 559 57.721 -1.178 -14.668 143 HH12 ARG 559 HH12 ARG 559 58.287 -2.207 -15.941 144 HH21 ARG 559 HH21 ARG 559 58.423 -5.040 -13.955 145 HH22 ARG 559 HH22 ARG 559 58.684 -4.389 -15.538 146 H CYS 560 HN CYS 560 55.051 -4.282 -7.348 147 HA CYS 560 HA CYS 560 55.171 -1.466 -6.567 148 HB2 CYS 560 HB2 CYS 560 52.950 -1.363 -5.562 149 HB3 CYS 560 HB1 CYS 560 52.795 -1.731 -7.279 150 HG CYS 560 HG CYS 560 52.889 -4.280 -5.637 151 H ILE 561 HN ILE 561 55.876 -1.272 -4.498 152 HA ILE 561 HA ILE 561 56.432 -3.778 -3.027 153 HB ILE 561 HB ILE 561 57.196 -1.027 -2.071 154 HG12 ILE 561 HG12 ILE 561 57.779 -1.141 -4.492 155 HG13 ILE 561 HG11 ILE 561 59.212 -1.114 -3.472 156 HG21 ILE 561 HG21 ILE 561 57.930 -2.555 -0.512 157 HG22 ILE 561 HG22 ILE 561 59.315 -2.587 -1.605 158 HG23 ILE 561 HG23 ILE 561 58.091 -3.851 -1.698 159 HD11 ILE 561 HD11 ILE 561 57.961 -3.590 -4.699 160 HD12 ILE 561 HD12 ILE 561 59.376 -3.581 -3.647 161 HD13 ILE 561 HD13 ILE 561 59.451 -2.812 -5.231 162 H THR 562 HN THR 562 55.720 -4.105 -0.867 163 HA THR 562 HA THR 562 53.544 -2.276 0.062 164 HB THR 562 HB THR 562 53.565 -5.309 0.183 165 HG1 THR 562 HG1 THR 562 53.038 -4.257 -1.851 166 HG21 THR 562 HG21 THR 562 52.458 -4.623 2.141 167 HG22 THR 562 HG22 THR 562 51.142 -4.805 0.981 168 HG23 THR 562 HG23 THR 562 51.766 -3.200 1.361 169 H ALA 563 HN ALA 563 54.501 -1.307 1.786 170 HA ALA 563 HA ALA 563 56.326 -2.837 3.527 171 HB1 ALA 563 HB1 ALA 563 56.842 -0.717 4.540 172 HB2 ALA 563 HB2 ALA 563 55.411 0.031 3.831 173 HB3 ALA 563 HB3 ALA 563 56.758 -0.447 2.798 174 H MET 564 HN MET 564 55.127 -0.787 5.657 175 HA MET 564 HA MET 564 53.532 -2.773 7.032 176 HB2 MET 564 HB2 MET 564 53.661 0.201 7.590 177 HB3 MET 564 HB1 MET 564 53.251 -1.080 8.726 178 HG2 MET 564 HG2 MET 564 55.464 -0.849 9.298 179 HG3 MET 564 HG1 MET 564 55.684 -1.954 7.944 180 HE1 MET 564 HE1 MET 564 57.696 0.115 9.307 181 HE2 MET 564 HE2 MET 564 58.577 0.774 7.932 182 HE3 MET 564 HE3 MET 564 58.246 -0.954 8.009 183 H ALA 565 HN ALA 565 52.262 -2.822 4.816 184 HA ALA 565 HA ALA 565 50.075 -2.670 3.944 185 HB1 ALA 565 HB1 ALA 565 49.551 -2.027 6.499 186 HB2 ALA 565 HB2 ALA 565 48.350 -1.811 5.226 187 HB3 ALA 565 HB3 ALA 565 49.304 -0.436 5.779 188 H LYS 566 HN LYS 566 52.333 -0.206 4.435 189 HA LYS 566 HA LYS 566 51.077 1.802 2.712 190 HB2 LYS 566 HB2 LYS 566 53.716 1.523 4.129 191 HB3 LYS 566 HB1 LYS 566 53.457 2.803 2.947 192 HG2 LYS 566 HG2 LYS 566 51.370 2.389 5.046 193 HG3 LYS 566 HG1 LYS 566 52.877 3.162 5.517 194 HD2 LYS 566 HD2 LYS 566 52.592 4.888 3.831 195 HD3 LYS 566 HD1 LYS 566 51.169 4.066 3.187 196 HE2 LYS 566 HE2 LYS 566 50.240 5.729 4.572 197 HE3 LYS 566 HE1 LYS 566 50.216 4.289 5.592 198 HZ1 LYS 566 HZ1 LYS 566 51.111 6.275 6.718 199 HZ2 LYS 566 HZ2 LYS 566 52.388 6.313 5.599 200 HZ3 LYS 566 HZ3 LYS 566 52.222 4.995 6.657 201 H LYS 567 HN LYS 567 51.461 2.020 0.521 202 HA LYS 567 HA LYS 567 53.155 -0.051 -0.750 203 HB2 LYS 567 HB2 LYS 567 50.968 1.772 -1.716 204 HB3 LYS 567 HB1 LYS 567 52.071 1.023 -2.868 205 HG2 LYS 567 HG2 LYS 567 49.999 -0.328 -2.467 206 HG3 LYS 567 HG1 LYS 567 51.486 -1.193 -2.075 207 HD2 LYS 567 HD2 LYS 567 51.170 -0.925 0.257 208 HD3 LYS 567 HD1 LYS 567 49.983 0.363 0.032 209 HE2 LYS 567 HE2 LYS 567 48.276 -1.102 -0.493 210 HE3 LYS 567 HE1 LYS 567 49.379 -2.310 -1.149 211 HZ1 LYS 567 HZ1 LYS 567 49.866 -3.127 0.915 212 HZ2 LYS 567 HZ2 LYS 567 48.249 -2.664 1.155 213 HZ3 LYS 567 HZ3 LYS 567 49.512 -1.671 1.711 214 H PHE 568 HN PHE 568 54.452 0.717 -2.673 215 HA PHE 568 HA PHE 568 55.397 3.511 -2.605 216 HB2 PHE 568 HB2 PHE 568 57.105 1.169 -1.711 217 HB3 PHE 568 HB1 PHE 568 57.806 2.670 -2.303 218 HD1 PHE 568 HD1 PHE 568 57.534 4.775 -1.029 219 HD2 PHE 568 HD2 PHE 568 56.012 1.038 0.447 220 HE1 PHE 568 HE1 PHE 568 57.303 5.760 1.234 221 HE2 PHE 568 HE2 PHE 568 55.776 2.027 2.707 222 HZ PHE 568 HZ PHE 568 56.423 4.387 3.102 223 H HIS 569 HN HIS 569 56.259 4.038 -4.641 224 HA HIS 569 HA HIS 569 55.925 2.238 -6.831 225 HB2 HIS 569 HB2 HIS 569 57.532 4.762 -6.447 226 HB3 HIS 569 HB1 HIS 569 57.732 3.816 -7.917 227 HD2 HIS 569 HD2 HIS 569 54.983 3.320 -9.176 228 HE1 HIS 569 HE1 HIS 569 53.662 7.106 -7.848 229 HE2 HIS 569 HE2 HIS 569 53.171 5.173 -9.431 230 HA PRO 570 HA PRO 570 59.231 -0.628 -6.035 231 HB2 PRO 570 HB2 PRO 570 59.676 -0.629 -8.956 232 HB3 PRO 570 HB1 PRO 570 59.239 -1.961 -7.880 233 HG2 PRO 570 HG2 PRO 570 57.489 -0.755 -9.644 234 HG3 PRO 570 HG1 PRO 570 57.005 -1.656 -8.208 235 HD2 PRO 570 HD2 PRO 570 56.858 1.235 -8.708 236 HD3 PRO 570 HD1 PRO 570 56.074 0.272 -7.429 237 H GLU 571 HN GLU 571 59.624 2.431 -7.388 238 HA GLU 571 HA GLU 571 62.603 2.230 -7.277 239 HB2 GLU 571 HB2 GLU 571 62.693 4.037 -8.892 240 HB3 GLU 571 HB1 GLU 571 61.639 2.773 -9.529 241 HG2 GLU 571 HG2 GLU 571 59.805 4.221 -8.185 242 HG3 GLU 571 HG1 GLU 571 60.955 5.497 -8.564 243 H HIS 572 HN HIS 572 59.814 3.568 -5.824 244 HA HIS 572 HA HIS 572 61.370 5.823 -4.640 245 HB2 HIS 572 HB2 HIS 572 58.389 5.249 -4.637 246 HB3 HIS 572 HB1 HIS 572 59.143 6.611 -3.809 247 HD2 HIS 572 HD2 HIS 572 61.322 6.858 -6.577 248 HE1 HIS 572 HE1 HIS 572 57.785 8.335 -8.336 249 HE2 HIS 572 HE2 HIS 572 60.310 8.177 -8.573 250 H PHE 573 HN PHE 573 60.381 2.662 -3.965 251 HA PHE 573 HA PHE 573 60.052 2.954 -1.084 252 HB2 PHE 573 HB2 PHE 573 59.082 1.035 -2.373 253 HB3 PHE 573 HB1 PHE 573 60.719 0.483 -2.714 254 HD1 PHE 573 HD1 PHE 573 58.945 1.774 0.343 255 HD2 PHE 573 HD2 PHE 573 61.332 -1.340 -1.401 256 HE1 PHE 573 HE1 PHE 573 59.005 0.600 2.524 257 HE2 PHE 573 HE2 PHE 573 61.393 -2.515 0.781 258 HZ PHE 573 HZ PHE 573 60.228 -1.545 2.743 259 H VAL 574 HN VAL 574 61.940 4.130 -0.505 260 HA VAL 574 HA VAL 574 64.518 2.681 -0.894 261 HB VAL 574 HB VAL 574 65.604 4.847 -0.432 262 HG11 VAL 574 HG11 VAL 574 64.301 4.107 -2.728 263 HG12 VAL 574 HG12 VAL 574 65.339 5.526 -2.590 264 HG13 VAL 574 HG13 VAL 574 63.591 5.693 -2.424 265 HG21 VAL 574 HG21 VAL 574 63.969 5.815 1.096 266 HG22 VAL 574 HG22 VAL 574 62.740 5.822 -0.169 267 HG23 VAL 574 HG23 VAL 574 64.142 6.885 -0.295 268 H CYS 575 HN CYS 575 66.100 3.118 0.981 269 HA CYS 575 HA CYS 575 64.897 2.091 3.425 270 HB2 CYS 575 HB2 CYS 575 67.087 1.304 2.848 271 HB3 CYS 575 HB1 CYS 575 67.700 2.943 2.666 272 H ALA 576 HN ALA 576 64.247 3.276 5.175 273 HA ALA 576 HA ALA 576 64.248 6.174 5.056 274 HB1 ALA 576 HB1 ALA 576 63.344 5.969 7.413 275 HB2 ALA 576 HB2 ALA 576 63.545 4.223 7.266 276 HB3 ALA 576 HB3 ALA 576 62.431 5.075 6.198 277 H PHE 577 HN PHE 577 66.909 5.072 4.923 278 HA PHE 577 HA PHE 577 68.116 6.472 7.252 279 HB2 PHE 577 HB2 PHE 577 68.047 3.851 7.450 280 HB3 PHE 577 HB1 PHE 577 69.341 3.909 6.256 281 HD1 PHE 577 HD1 PHE 577 68.332 4.964 9.670 282 HD2 PHE 577 HD2 PHE 577 71.543 4.689 6.827 283 HE1 PHE 577 HE1 PHE 577 69.961 5.508 11.457 284 HE2 PHE 577 HE2 PHE 577 73.171 5.235 8.616 285 HZ PHE 577 HZ PHE 577 72.381 5.644 10.930 286 H CYS 578 HN CYS 578 69.116 4.596 4.385 287 HA CYS 578 HA CYS 578 71.023 6.764 3.680 288 HB2 CYS 578 HB2 CYS 578 71.681 5.033 1.876 289 HB3 CYS 578 HB1 CYS 578 72.063 4.636 3.549 290 H LEU 579 HN LEU 579 67.949 5.493 2.825 291 HA LEU 579 HA LEU 579 66.420 6.027 1.143 292 HB2 LEU 579 HB2 LEU 579 68.062 8.579 1.073 293 HB3 LEU 579 HB1 LEU 579 66.449 8.378 0.389 294 HG LEU 579 HG LEU 579 66.094 7.456 2.961 295 HD11 LEU 579 HD11 LEU 579 67.203 8.904 4.492 296 HD12 LEU 579 HD12 LEU 579 67.794 9.945 3.197 297 HD13 LEU 579 HD13 LEU 579 68.464 8.328 3.402 298 HD21 LEU 579 HD21 LEU 579 64.590 8.971 1.761 299 HD22 LEU 579 HD22 LEU 579 65.769 10.277 1.885 300 HD23 LEU 579 HD23 LEU 579 64.982 9.658 3.337 301 H LYS 580 HN LYS 580 69.204 4.878 0.401 302 HA LYS 580 HA LYS 580 69.762 5.898 -2.255 303 HB2 LYS 580 HB2 LYS 580 71.199 3.903 -2.478 304 HB3 LYS 580 HB1 LYS 580 71.470 4.697 -0.928 305 HG2 LYS 580 HG2 LYS 580 69.687 3.046 -0.006 306 HG3 LYS 580 HG1 LYS 580 69.972 2.139 -1.491 307 HD2 LYS 580 HD2 LYS 580 72.521 2.835 -0.419 308 HD3 LYS 580 HD1 LYS 580 71.550 2.177 0.899 309 HE2 LYS 580 HE2 LYS 580 72.636 0.311 -0.154 310 HE3 LYS 580 HE1 LYS 580 70.943 0.259 -0.644 311 HZ1 LYS 580 HZ1 LYS 580 73.315 0.941 -2.215 312 HZ2 LYS 580 HZ2 LYS 580 71.864 1.741 -2.587 313 HZ3 LYS 580 HZ3 LYS 580 71.945 0.046 -2.659 314 H GLN 581 HN GLN 581 68.220 2.895 -1.097 315 HA GLN 581 HA GLN 581 66.066 2.931 -2.933 316 HB2 GLN 581 HB2 GLN 581 68.461 2.228 -4.218 317 HB3 GLN 581 HB1 GLN 581 67.669 0.691 -3.894 318 HG2 GLN 581 HG2 GLN 581 65.733 2.625 -4.823 319 HG3 GLN 581 HG1 GLN 581 67.070 2.514 -5.966 320 HE21 GLN 581 HE21 GLN 581 64.406 0.739 -4.504 321 HE22 GLN 581 HE22 GLN 581 64.505 -0.615 -5.519 322 H LEU 582 HN LEU 582 64.869 0.797 -2.802 323 HA LEU 582 HA LEU 582 65.882 -1.150 -0.883 324 HB2 LEU 582 HB2 LEU 582 64.891 0.974 0.353 325 HB3 LEU 582 HB1 LEU 582 63.354 0.189 0.003 326 HG LEU 582 HG LEU 582 64.326 -1.914 1.019 327 HD11 LEU 582 HD11 LEU 582 66.213 -0.818 2.756 328 HD12 LEU 582 HD12 LEU 582 66.630 -0.141 1.184 329 HD13 LEU 582 HD13 LEU 582 66.548 -1.889 1.397 330 HD21 LEU 582 HD21 LEU 582 62.832 -0.929 2.474 331 HD22 LEU 582 HD22 LEU 582 63.681 0.615 2.461 332 HD23 LEU 582 HD23 LEU 582 64.306 -0.726 3.422 333 H ASN 583 HN ASN 583 64.413 -2.963 -0.599 334 HA ASN 583 HA ASN 583 62.054 -3.086 -2.370 335 HB2 ASN 583 HB2 ASN 583 62.906 -5.213 -3.401 336 HB3 ASN 583 HB1 ASN 583 63.831 -3.790 -3.874 337 HD21 ASN 583 HD21 ASN 583 63.990 -6.845 -2.172 338 HD22 ASN 583 HD22 ASN 583 65.633 -6.751 -1.753 339 H LYS 584 HN LYS 584 60.487 -4.224 -1.330 340 HA LYS 584 HA LYS 584 60.718 -5.219 1.288 341 HB2 LYS 584 HB2 LYS 584 58.519 -4.864 0.529 342 HB3 LYS 584 HB1 LYS 584 58.795 -5.751 -0.967 343 HG2 LYS 584 HG2 LYS 584 57.391 -7.093 0.499 344 HG3 LYS 584 HG1 LYS 584 58.969 -7.862 0.359 345 HD2 LYS 584 HD2 LYS 584 58.508 -7.932 2.677 346 HD3 LYS 584 HD1 LYS 584 59.585 -6.549 2.503 347 HE2 LYS 584 HE2 LYS 584 57.731 -5.891 3.923 348 HE3 LYS 584 HE1 LYS 584 57.557 -5.066 2.375 349 HZ1 LYS 584 HZ1 LYS 584 55.547 -5.958 2.252 350 HZ2 LYS 584 HZ2 LYS 584 55.816 -6.931 3.619 351 HZ3 LYS 584 HZ3 LYS 584 56.273 -7.482 2.079 352 H GLY 585 HN GLY 585 61.562 -6.712 -1.734 353 HA2 GLY 585 HA2 GLY 585 61.517 -9.446 -1.102 354 HA3 GLY 585 HA1 GLY 585 62.674 -8.712 -2.204 355 H THR 586 HN THR 586 63.903 -7.002 -0.122 356 HA THR 586 HA THR 586 64.985 -8.981 1.803 357 HB THR 586 HB THR 586 67.332 -8.474 1.129 358 HG1 THR 586 HG1 THR 586 67.578 -7.478 -0.933 359 HG21 THR 586 HG21 THR 586 65.671 -9.532 -1.177 360 HG22 THR 586 HG22 THR 586 66.084 -10.475 0.256 361 HG23 THR 586 HG23 THR 586 67.358 -9.907 -0.824 362 H PHE 587 HN PHE 587 63.448 -6.470 2.108 363 HA PHE 587 HA PHE 587 65.511 -4.668 3.271 364 HB2 PHE 587 HB2 PHE 587 64.042 -2.938 3.020 365 HB3 PHE 587 HB1 PHE 587 63.295 -4.000 1.843 366 HD1 PHE 587 HD1 PHE 587 61.796 -5.951 3.242 367 HD2 PHE 587 HD2 PHE 587 62.472 -1.856 4.350 368 HE1 PHE 587 HE1 PHE 587 59.725 -5.975 4.603 369 HE2 PHE 587 HE2 PHE 587 60.397 -1.881 5.706 370 HZ PHE 587 HZ PHE 587 59.025 -3.941 5.834 371 H LYS 588 HN LYS 588 64.570 -3.580 5.358 372 HA LYS 588 HA LYS 588 63.305 -5.546 7.179 373 HB2 LYS 588 HB2 LYS 588 66.045 -4.310 7.487 374 HB3 LYS 588 HB1 LYS 588 65.108 -4.777 8.904 375 HG2 LYS 588 HG2 LYS 588 65.672 -6.686 6.620 376 HG3 LYS 588 HG1 LYS 588 66.737 -6.529 8.016 377 HD2 LYS 588 HD2 LYS 588 65.419 -7.984 9.115 378 HD3 LYS 588 HD1 LYS 588 64.144 -6.766 9.093 379 HE2 LYS 588 HE2 LYS 588 63.278 -7.616 7.003 380 HE3 LYS 588 HE1 LYS 588 64.647 -8.711 6.825 381 HZ1 LYS 588 HZ1 LYS 588 62.706 -8.807 9.068 382 HZ2 LYS 588 HZ2 LYS 588 63.949 -9.920 8.749 383 HZ3 LYS 588 HZ3 LYS 588 62.625 -9.795 7.692 384 H GLU 589 HN GLU 589 62.854 -4.249 9.361 385 HA GLU 589 HA GLU 589 62.571 -1.357 8.820 386 HB2 GLU 589 HB2 GLU 589 60.262 -1.254 8.945 387 HB3 GLU 589 HB1 GLU 589 60.470 -2.791 8.107 388 HG2 GLU 589 HG2 GLU 589 60.460 -3.860 10.459 389 HG3 GLU 589 HG1 GLU 589 59.817 -2.315 11.018 390 H GLN 590 HN GLN 590 62.173 -0.109 10.683 391 HA GLN 590 HA GLN 590 62.094 -1.359 13.328 392 HB2 GLN 590 HB2 GLN 590 64.549 -1.350 12.576 393 HB3 GLN 590 HB1 GLN 590 64.453 0.407 12.630 394 HG2 GLN 590 HG2 GLN 590 65.300 -0.241 14.755 395 HG3 GLN 590 HG1 GLN 590 63.604 0.151 15.029 396 HE21 GLN 590 HE21 GLN 590 64.872 -2.835 13.515 397 HE22 GLN 590 HE22 GLN 590 64.283 -3.883 14.713 398 H ASN 591 HN ASN 591 61.492 0.228 14.920 399 HA ASN 591 HA ASN 591 60.373 2.169 15.613 400 HB2 ASN 591 HB2 ASN 591 62.400 3.290 13.666 401 HB3 ASN 591 HB1 ASN 591 61.343 4.313 14.630 402 HD21 ASN 591 HD21 ASN 591 64.380 2.907 14.646 403 HD22 ASN 591 HD22 ASN 591 64.660 2.885 16.320 404 H ASP 592 HN ASP 592 59.519 0.682 13.017 405 HA ASP 592 HA ASP 592 57.584 0.886 11.684 406 HB2 ASP 592 HB2 ASP 592 56.937 2.584 13.608 407 HB3 ASP 592 HB1 ASP 592 57.289 3.789 12.365 408 H LYS 593 HN LYS 593 60.304 1.465 10.768 409 HA LYS 593 HA LYS 593 59.551 2.973 8.340 410 HB2 LYS 593 HB2 LYS 593 62.162 3.868 8.846 411 HB3 LYS 593 HB1 LYS 593 60.685 4.820 8.940 412 HG2 LYS 593 HG2 LYS 593 60.501 3.796 11.356 413 HG3 LYS 593 HG1 LYS 593 62.224 3.504 11.156 414 HD2 LYS 593 HD2 LYS 593 62.040 5.649 12.189 415 HD3 LYS 593 HD1 LYS 593 62.439 5.956 10.499 416 HE2 LYS 593 HE2 LYS 593 60.542 7.368 11.505 417 HE3 LYS 593 HE1 LYS 593 60.200 6.570 9.971 418 HZ1 LYS 593 HZ1 LYS 593 58.548 6.390 11.964 419 HZ2 LYS 593 HZ2 LYS 593 59.596 5.151 12.468 420 HZ3 LYS 593 HZ3 LYS 593 58.826 5.055 10.956 421 HA PRO 594 HA PRO 594 61.807 -0.305 6.443 422 HB2 PRO 594 HB2 PRO 594 62.662 0.999 4.176 423 HB3 PRO 594 HB1 PRO 594 61.023 0.385 4.422 424 HG2 PRO 594 HG2 PRO 594 62.042 3.178 4.601 425 HG3 PRO 594 HG1 PRO 594 60.469 2.588 4.059 426 HD2 PRO 594 HD2 PRO 594 60.918 3.738 6.541 427 HD3 PRO 594 HD1 PRO 594 59.590 2.601 6.199 428 H TYR 595 HN TYR 595 63.876 -1.059 5.987 429 HA TYR 595 HA TYR 595 66.223 0.683 6.028 430 HB2 TYR 595 HB2 TYR 595 65.616 -1.208 8.331 431 HB3 TYR 595 HB1 TYR 595 67.218 -0.554 8.011 432 HD1 TYR 595 HD1 TYR 595 64.353 -0.088 9.925 433 HD2 TYR 595 HD2 TYR 595 67.157 2.128 7.549 434 HE1 TYR 595 HE1 TYR 595 63.754 1.982 11.147 435 HE2 TYR 595 HE2 TYR 595 66.554 4.200 8.772 436 HH TYR 595 HH TYR 595 64.810 5.108 10.095 437 H CYS 596 HN CYS 596 67.594 -0.324 4.567 438 HA CYS 596 HA CYS 596 67.067 -2.822 3.382 439 HB2 CYS 596 HB2 CYS 596 69.942 -2.125 3.687 440 HB3 CYS 596 HB1 CYS 596 69.038 -2.541 2.235 441 H GLN 597 HN GLN 597 67.741 -4.934 3.855 442 HA GLN 597 HA GLN 597 67.945 -5.752 6.525 443 HB2 GLN 597 HB2 GLN 597 67.624 -7.618 5.245 444 HB3 GLN 597 HB1 GLN 597 68.487 -6.920 3.880 445 HG2 GLN 597 HG2 GLN 597 69.686 -8.890 4.706 446 HG3 GLN 597 HG1 GLN 597 70.644 -7.441 4.989 447 HE21 GLN 597 HE21 GLN 597 67.931 -7.685 7.111 448 HE22 GLN 597 HE22 GLN 597 68.765 -8.269 8.468 449 H ASN 598 HN ASN 598 70.476 -4.777 4.276 450 HA ASN 598 HA ASN 598 72.715 -5.373 5.987 451 HB2 ASN 598 HB2 ASN 598 72.907 -4.966 3.533 452 HB3 ASN 598 HB1 ASN 598 72.468 -3.281 3.801 453 HD21 ASN 598 HD21 ASN 598 73.959 -2.230 5.650 454 HD22 ASN 598 HD22 ASN 598 75.616 -2.563 5.499 455 H CYS 599 HN CYS 599 70.628 -2.551 5.531 456 HA CYS 599 HA CYS 599 72.085 -0.827 7.353 457 HB2 CYS 599 HB2 CYS 599 69.381 -0.777 6.046 458 HB3 CYS 599 HB1 CYS 599 69.656 0.270 7.433 459 H PHE 600 HN PHE 600 68.938 -2.527 7.681 460 HA PHE 600 HA PHE 600 68.519 -2.197 10.439 461 HB2 PHE 600 HB2 PHE 600 66.832 -3.279 9.122 462 HB3 PHE 600 HB1 PHE 600 67.951 -4.522 8.579 463 HD1 PHE 600 HD1 PHE 600 68.754 -6.274 10.172 464 HD2 PHE 600 HD2 PHE 600 65.691 -3.454 11.233 465 HE1 PHE 600 HE1 PHE 600 68.080 -7.720 12.069 466 HE2 PHE 600 HE2 PHE 600 65.019 -4.902 13.130 467 HZ PHE 600 HZ PHE 600 66.212 -7.034 13.548 468 H LEU 601 HN LEU 601 70.425 -4.661 8.757 469 HA LEU 601 HA LEU 601 71.362 -6.110 11.018 470 HB2 LEU 601 HB2 LEU 601 71.641 -6.907 8.723 471 HB3 LEU 601 HB1 LEU 601 72.651 -5.521 8.334 472 HG LEU 601 HG LEU 601 74.211 -6.343 10.208 473 HD11 LEU 601 HD11 LEU 601 72.503 -8.814 9.778 474 HD12 LEU 601 HD12 LEU 601 72.649 -7.897 11.276 475 HD13 LEU 601 HD13 LEU 601 74.035 -8.791 10.652 476 HD21 LEU 601 HD21 LEU 601 73.722 -7.648 7.549 477 HD22 LEU 601 HD22 LEU 601 74.988 -8.289 8.600 478 HD23 LEU 601 HD23 LEU 601 75.057 -6.613 8.054 479 H LYS 602 HN LYS 602 72.225 -3.043 9.641 480 HA LYS 602 HA LYS 602 74.670 -2.723 11.249 481 HB2 LYS 602 HB2 LYS 602 73.856 -1.739 8.818 482 HB3 LYS 602 HB1 LYS 602 73.511 -0.379 9.877 483 HG2 LYS 602 HG2 LYS 602 75.755 -0.081 9.135 484 HG3 LYS 602 HG1 LYS 602 75.864 -0.652 10.799 485 HD2 LYS 602 HD2 LYS 602 77.454 -1.954 9.591 486 HD3 LYS 602 HD1 LYS 602 76.064 -3.015 9.816 487 HE2 LYS 602 HE2 LYS 602 75.356 -2.763 7.581 488 HE3 LYS 602 HE1 LYS 602 76.329 -1.312 7.342 489 HZ1 LYS 602 HZ1 LYS 602 78.319 -2.626 7.473 490 HZ2 LYS 602 HZ2 LYS 602 77.294 -3.294 6.294 491 HZ3 LYS 602 HZ3 LYS 602 77.430 -4.027 7.821 492 H LEU 603 HN LEU 603 71.344 -1.473 11.151 493 HA LEU 603 HA LEU 603 71.828 0.336 13.405 494 HB2 LEU 603 HB2 LEU 603 69.082 -0.397 12.434 495 HB3 LEU 603 HB1 LEU 603 69.666 1.143 13.047 496 HG LEU 603 HG LEU 603 70.294 -0.089 10.358 497 HD11 LEU 603 HD11 LEU 603 68.078 0.979 10.555 498 HD12 LEU 603 HD12 LEU 603 69.140 1.902 9.493 499 HD13 LEU 603 HD13 LEU 603 68.847 2.454 11.142 500 HD21 LEU 603 HD21 LEU 603 72.301 1.022 11.113 501 HD22 LEU 603 HD22 LEU 603 71.374 2.403 11.701 502 HD23 LEU 603 HD23 LEU 603 71.504 2.100 9.968 503 H PHE 604 HN PHE 604 69.677 -2.464 12.875 504 HA PHE 604 HA PHE 604 69.071 -2.738 15.687 505 HB2 PHE 604 HB2 PHE 604 67.714 -3.560 13.636 506 HB3 PHE 604 HB1 PHE 604 68.793 -4.953 13.663 507 HD1 PHE 604 HD1 PHE 604 66.516 -2.941 15.850 508 HD2 PHE 604 HD2 PHE 604 68.392 -6.742 15.145 509 HE1 PHE 604 HE1 PHE 604 65.182 -3.940 17.685 510 HE2 PHE 604 HE2 PHE 604 67.057 -7.740 16.981 511 HZ PHE 604 HZ PHE 604 65.453 -6.340 18.251 512 H CYS 605 HN CYS 605 71.667 -3.833 13.672 513 HA CYS 605 HA CYS 605 72.798 -5.279 16.013 514 HB2 CYS 605 HB2 CYS 605 71.597 -6.811 14.236 515 HB3 CYS 605 HB1 CYS 605 73.062 -6.533 13.295 516 HG CYS 605 HG CYS 605 74.335 -7.392 15.598 Start of MODEL 12 1 H TYR 541 HT1 TYR 541 49.387 10.687 -13.600 2 HA TYR 541 HA TYR 541 46.867 11.116 -14.499 3 HB2 TYR 541 HB2 TYR 541 48.600 8.627 -14.592 4 HB3 TYR 541 HB1 TYR 541 47.204 8.900 -15.635 5 HD1 TYR 541 HD1 TYR 541 50.705 9.626 -15.072 6 HD2 TYR 541 HD2 TYR 541 47.185 10.930 -17.161 7 HE1 TYR 541 HE1 TYR 541 52.115 10.959 -16.616 8 HE2 TYR 541 HE2 TYR 541 48.596 12.263 -18.705 9 HH TYR 541 HH TYR 541 51.442 11.888 -19.376 10 H HIS 542 HN HIS 542 45.418 8.854 -14.760 11 HA HIS 542 HA HIS 542 44.737 8.002 -11.976 12 HB2 HIS 542 HB2 HIS 542 42.309 7.995 -12.840 13 HB3 HIS 542 HB1 HIS 542 43.029 9.564 -12.500 14 HD1 HIS 542 HD1 HIS 542 44.212 10.717 -14.727 15 HD2 HIS 542 HD2 HIS 542 41.280 7.831 -15.400 16 HE1 HIS 542 HE1 HIS 542 43.440 11.024 -17.120 17 H GLU 543 HN GLU 543 43.779 7.297 -15.327 18 HA GLU 543 HA GLU 543 43.505 5.260 -16.450 19 HB2 GLU 543 HB2 GLU 543 45.735 4.373 -14.589 20 HB3 GLU 543 HB1 GLU 543 45.276 3.606 -16.109 21 HG2 GLU 543 HG2 GLU 543 46.622 5.016 -17.232 22 HG3 GLU 543 HG1 GLU 543 45.696 6.389 -16.626 23 H ARG 544 HN ARG 544 44.574 3.205 -13.927 24 HA ARG 544 HA ARG 544 41.732 2.585 -13.220 25 HB2 ARG 544 HB2 ARG 544 44.121 0.766 -13.576 26 HB3 ARG 544 HB1 ARG 544 42.630 0.245 -12.792 27 HG2 ARG 544 HG2 ARG 544 42.761 1.424 -15.583 28 HG3 ARG 544 HG1 ARG 544 42.711 -0.300 -15.235 29 HD2 ARG 544 HD2 ARG 544 40.454 0.013 -15.446 30 HD3 ARG 544 HD1 ARG 544 40.594 0.509 -13.759 31 HE ARG 544 HE ARG 544 41.067 2.843 -15.183 32 HH11 ARG 544 HH11 ARG 544 39.428 4.274 -15.760 33 HH12 ARG 544 HH12 ARG 544 37.802 3.697 -15.914 34 HH21 ARG 544 HH21 ARG 544 38.598 0.429 -15.090 35 HH22 ARG 544 HH22 ARG 544 37.333 1.524 -15.535 36 H ARG 545 HN ARG 545 41.916 1.083 -11.054 37 HA ARG 545 HA ARG 545 43.250 2.845 -9.069 38 HB2 ARG 545 HB2 ARG 545 41.426 0.542 -8.406 39 HB3 ARG 545 HB1 ARG 545 41.731 2.010 -7.479 40 HG2 ARG 545 HG2 ARG 545 40.710 3.272 -9.471 41 HG3 ARG 545 HG1 ARG 545 40.117 1.701 -10.006 42 HD2 ARG 545 HD2 ARG 545 39.142 1.432 -7.661 43 HD3 ARG 545 HD1 ARG 545 39.484 3.141 -7.422 44 HE ARG 545 HE ARG 545 37.213 2.080 -8.768 45 HH11 ARG 545 HH11 ARG 545 36.044 3.182 -10.326 46 HH12 ARG 545 HH12 ARG 545 36.723 4.588 -11.074 47 HH21 ARG 545 HH21 ARG 545 39.668 4.464 -9.268 48 HH22 ARG 545 HH22 ARG 545 38.769 5.306 -10.483 49 H GLY 546 HN GLY 546 43.021 0.359 -7.222 50 HA2 GLY 546 HA2 GLY 546 44.289 -1.836 -7.362 51 HA3 GLY 546 HA1 GLY 546 45.566 -0.903 -8.139 52 H SER 547 HN SER 547 47.048 0.139 -6.848 53 HA SER 547 HA SER 547 46.444 0.523 -3.966 54 HB2 SER 547 HB2 SER 547 48.193 -1.540 -5.046 55 HB3 SER 547 HB1 SER 547 49.077 -0.443 -3.992 56 HG SER 547 HG SER 547 46.583 -1.629 -3.331 57 H LEU 548 HN LEU 548 47.010 2.601 -3.534 58 HA LEU 548 HA LEU 548 48.660 4.135 -5.346 59 HB2 LEU 548 HB2 LEU 548 47.324 4.663 -2.715 60 HB3 LEU 548 HB1 LEU 548 48.562 5.780 -3.277 61 HG LEU 548 HG LEU 548 47.348 6.161 -5.354 62 HD11 LEU 548 HD11 LEU 548 45.004 5.138 -5.522 63 HD12 LEU 548 HD12 LEU 548 45.524 4.010 -4.270 64 HD13 LEU 548 HD13 LEU 548 46.359 4.052 -5.822 65 HD21 LEU 548 HD21 LEU 548 45.425 6.297 -3.011 66 HD22 LEU 548 HD22 LEU 548 45.397 7.306 -4.457 67 HD23 LEU 548 HD23 LEU 548 46.719 7.460 -3.301 68 H CYS 549 HN CYS 549 50.809 4.648 -5.182 69 HA CYS 549 HA CYS 549 52.466 3.078 -3.361 70 HB2 CYS 549 HB2 CYS 549 53.640 3.344 -5.321 71 HB3 CYS 549 HB1 CYS 549 52.896 4.899 -5.678 72 H SER 550 HN SER 550 52.554 3.758 -1.268 73 HA SER 550 HA SER 550 51.830 6.289 -0.312 74 HB2 SER 550 HB2 SER 550 53.937 4.435 0.829 75 HB3 SER 550 HB1 SER 550 53.196 5.775 1.695 76 HG SER 550 HG SER 550 52.102 3.329 0.855 77 H GLY 551 HN GLY 551 52.638 8.153 -0.988 78 HA2 GLY 551 HA2 GLY 551 54.669 9.669 -0.785 79 HA3 GLY 551 HA1 GLY 551 55.565 8.365 -1.581 80 H CYS 552 HN CYS 552 53.282 7.657 -3.292 81 HA CYS 552 HA CYS 552 53.522 9.876 -5.282 82 HB2 CYS 552 HB2 CYS 552 53.296 6.908 -5.457 83 HB3 CYS 552 HB1 CYS 552 52.502 7.846 -6.720 84 H GLN 553 HN GLN 553 51.279 7.903 -3.449 85 HA GLN 553 HA GLN 553 48.960 8.026 -3.181 86 HB2 GLN 553 HB2 GLN 553 49.492 10.832 -4.212 87 HB3 GLN 553 HB1 GLN 553 47.931 10.290 -3.600 88 HG2 GLN 553 HG2 GLN 553 48.956 11.276 -1.717 89 HG3 GLN 553 HG1 GLN 553 49.232 9.552 -1.488 90 HE21 GLN 553 HE21 GLN 553 51.278 9.502 -0.492 91 HE22 GLN 553 HE22 GLN 553 52.669 10.233 -1.134 92 H LYS 554 HN LYS 554 50.185 7.102 -5.698 93 HA LYS 554 HA LYS 554 47.788 7.385 -7.448 94 HB2 LYS 554 HB2 LYS 554 50.704 7.511 -8.285 95 HB3 LYS 554 HB1 LYS 554 49.375 7.276 -9.420 96 HG2 LYS 554 HG2 LYS 554 49.611 9.640 -7.533 97 HG3 LYS 554 HG1 LYS 554 50.088 9.669 -9.229 98 HD2 LYS 554 HD2 LYS 554 47.680 8.834 -9.707 99 HD3 LYS 554 HD1 LYS 554 47.326 9.359 -8.062 100 HE2 LYS 554 HE2 LYS 554 48.106 11.626 -8.594 101 HE3 LYS 554 HE1 LYS 554 48.518 11.114 -10.231 102 HZ1 LYS 554 HZ1 LYS 554 45.802 11.072 -9.029 103 HZ2 LYS 554 HZ2 LYS 554 46.194 10.554 -10.600 104 HZ3 LYS 554 HZ3 LYS 554 46.363 12.191 -10.174 105 HA PRO 555 HA PRO 555 47.651 2.986 -7.165 106 HB2 PRO 555 HB2 PRO 555 47.212 2.915 -10.071 107 HB3 PRO 555 HB1 PRO 555 46.174 2.355 -8.754 108 HG2 PRO 555 HG2 PRO 555 45.779 4.668 -10.264 109 HG3 PRO 555 HG1 PRO 555 45.011 4.311 -8.715 110 HD2 PRO 555 HD2 PRO 555 47.021 6.331 -9.312 111 HD3 PRO 555 HD1 PRO 555 46.148 6.056 -7.783 112 H ILE 556 HN ILE 556 48.857 1.140 -7.689 113 HA ILE 556 HA ILE 556 51.437 1.689 -9.080 114 HB ILE 556 HB ILE 556 50.636 -0.328 -6.962 115 HG12 ILE 556 HG12 ILE 556 52.814 1.747 -6.754 116 HG13 ILE 556 HG11 ILE 556 51.137 2.211 -6.484 117 HG21 ILE 556 HG21 ILE 556 53.191 -0.767 -7.002 118 HG22 ILE 556 HG22 ILE 556 53.159 -0.022 -8.600 119 HG23 ILE 556 HG23 ILE 556 52.224 -1.484 -8.291 120 HD11 ILE 556 HD11 ILE 556 51.360 -0.104 -4.990 121 HD12 ILE 556 HD12 ILE 556 51.475 1.535 -4.349 122 HD13 ILE 556 HD13 ILE 556 52.939 0.649 -4.772 123 H THR 557 HN THR 557 50.792 1.193 -11.209 124 HA THR 557 HA THR 557 49.345 -1.280 -11.797 125 HB THR 557 HB THR 557 49.785 -0.585 -14.194 126 HG1 THR 557 HG1 THR 557 51.589 0.605 -14.090 127 HG21 THR 557 HG21 THR 557 47.724 0.092 -13.126 128 HG22 THR 557 HG22 THR 557 48.350 1.477 -14.021 129 HG23 THR 557 HG23 THR 557 48.542 1.399 -12.270 130 H GLY 558 HN GLY 558 50.824 -2.835 -10.898 131 HA2 GLY 558 HA2 GLY 558 52.313 -4.443 -12.394 132 HA3 GLY 558 HA1 GLY 558 53.467 -3.117 -12.215 133 H ARG 559 HN ARG 559 54.909 -4.465 -10.960 134 HA ARG 559 HA ARG 559 54.166 -5.924 -8.637 135 HB2 ARG 559 HB2 ARG 559 56.682 -4.718 -9.690 136 HB3 ARG 559 HB1 ARG 559 56.654 -5.098 -7.970 137 HG2 ARG 559 HG2 ARG 559 55.541 -7.217 -9.690 138 HG3 ARG 559 HG1 ARG 559 57.256 -6.903 -9.952 139 HD2 ARG 559 HD2 ARG 559 57.180 -6.887 -7.240 140 HD3 ARG 559 HD1 ARG 559 55.876 -8.022 -7.570 141 HE ARG 559 HE ARG 559 58.610 -8.671 -7.674 142 HH11 ARG 559 HH11 ARG 559 59.493 -10.285 -8.952 143 HH12 ARG 559 HH12 ARG 559 58.603 -10.890 -10.309 144 HH21 ARG 559 HH21 ARG 559 55.881 -8.823 -9.797 145 HH22 ARG 559 HH22 ARG 559 56.570 -10.062 -10.787 146 H CYS 560 HN CYS 560 54.359 -5.268 -6.361 147 HA CYS 560 HA CYS 560 54.502 -2.383 -5.806 148 HB2 CYS 560 HB2 CYS 560 52.283 -2.179 -4.906 149 HB3 CYS 560 HB1 CYS 560 52.123 -2.856 -6.525 150 HG CYS 560 HG CYS 560 52.295 -5.125 -4.579 151 H ILE 561 HN ILE 561 55.220 -2.010 -3.776 152 HA ILE 561 HA ILE 561 55.792 -4.365 -2.077 153 HB ILE 561 HB ILE 561 56.540 -1.532 -1.383 154 HG12 ILE 561 HG12 ILE 561 57.122 -1.872 -3.788 155 HG13 ILE 561 HG11 ILE 561 58.551 -1.726 -2.774 156 HG21 ILE 561 HG21 ILE 561 57.258 -2.933 0.309 157 HG22 ILE 561 HG22 ILE 561 58.666 -2.994 -0.753 158 HG23 ILE 561 HG23 ILE 561 57.487 -4.303 -0.777 159 HD11 ILE 561 HD11 ILE 561 58.800 -3.584 -4.374 160 HD12 ILE 561 HD12 ILE 561 57.338 -4.334 -3.736 161 HD13 ILE 561 HD13 ILE 561 58.769 -4.186 -2.717 162 H THR 562 HN THR 562 55.122 -4.433 0.149 163 HA THR 562 HA THR 562 52.915 -2.545 0.859 164 HB THR 562 HB THR 562 52.937 -5.545 1.320 165 HG1 THR 562 HG1 THR 562 52.461 -4.732 -0.838 166 HG21 THR 562 HG21 THR 562 50.487 -4.937 1.981 167 HG22 THR 562 HG22 THR 562 51.128 -3.309 2.207 168 HG23 THR 562 HG23 THR 562 51.775 -4.650 3.152 169 H ALA 563 HN ALA 563 53.888 -1.392 2.458 170 HA ALA 563 HA ALA 563 55.650 -2.753 4.401 171 HB1 ALA 563 HB1 ALA 563 56.211 -0.500 3.413 172 HB2 ALA 563 HB2 ALA 563 56.199 -0.529 5.177 173 HB3 ALA 563 HB3 ALA 563 54.836 0.163 4.296 174 H MET 564 HN MET 564 54.453 -0.375 6.197 175 HA MET 564 HA MET 564 52.789 -2.133 7.802 176 HB2 MET 564 HB2 MET 564 53.259 0.858 7.922 177 HB3 MET 564 HB1 MET 564 52.389 -0.061 9.147 178 HG2 MET 564 HG2 MET 564 54.414 -1.454 9.514 179 HG3 MET 564 HG1 MET 564 55.283 -0.470 8.335 180 HE1 MET 564 HE1 MET 564 55.558 -1.308 11.396 181 HE2 MET 564 HE2 MET 564 56.029 0.091 12.357 182 HE3 MET 564 HE3 MET 564 56.946 -0.323 10.911 183 H ALA 565 HN ALA 565 51.552 -2.407 5.578 184 HA ALA 565 HA ALA 565 49.381 -2.299 4.663 185 HB1 ALA 565 HB1 ALA 565 47.664 -1.278 5.826 186 HB2 ALA 565 HB2 ALA 565 48.638 0.133 6.237 187 HB3 ALA 565 HB3 ALA 565 48.851 -1.376 7.126 188 H LYS 566 HN LYS 566 51.715 0.119 4.826 189 HA LYS 566 HA LYS 566 50.445 1.904 2.844 190 HB2 LYS 566 HB2 LYS 566 52.829 1.975 4.609 191 HB3 LYS 566 HB1 LYS 566 53.023 2.769 3.048 192 HG2 LYS 566 HG2 LYS 566 50.902 4.035 3.491 193 HG3 LYS 566 HG1 LYS 566 50.866 3.326 5.106 194 HD2 LYS 566 HD2 LYS 566 53.265 4.851 4.072 195 HD3 LYS 566 HD1 LYS 566 51.934 5.649 4.909 196 HE2 LYS 566 HE2 LYS 566 52.709 4.971 6.913 197 HE3 LYS 566 HE1 LYS 566 52.757 3.292 6.374 198 HZ1 LYS 566 HZ1 LYS 566 54.935 4.531 7.026 199 HZ2 LYS 566 HZ2 LYS 566 54.835 5.146 5.445 200 HZ3 LYS 566 HZ3 LYS 566 54.921 3.469 5.703 201 H LYS 567 HN LYS 567 50.850 1.748 0.667 202 HA LYS 567 HA LYS 567 52.652 -0.423 -0.219 203 HB2 LYS 567 HB2 LYS 567 50.436 1.146 -1.507 204 HB3 LYS 567 HB1 LYS 567 51.590 0.264 -2.506 205 HG2 LYS 567 HG2 LYS 567 49.572 -1.095 -1.952 206 HG3 LYS 567 HG1 LYS 567 51.064 -1.817 -1.349 207 HD2 LYS 567 HD2 LYS 567 50.615 -1.192 0.880 208 HD3 LYS 567 HD1 LYS 567 49.433 0.027 0.393 209 HE2 LYS 567 HE2 LYS 567 47.789 -1.577 -0.101 210 HE3 LYS 567 HE1 LYS 567 48.970 -2.878 -0.233 211 HZ1 LYS 567 HZ1 LYS 567 47.535 -2.694 1.882 212 HZ2 LYS 567 HZ2 LYS 567 48.616 -1.458 2.322 213 HZ3 LYS 567 HZ3 LYS 567 49.189 -3.033 2.041 214 H PHE 568 HN PHE 568 53.924 0.086 -2.274 215 HA PHE 568 HA PHE 568 54.826 2.876 -2.590 216 HB2 PHE 568 HB2 PHE 568 56.605 0.697 -1.445 217 HB3 PHE 568 HB1 PHE 568 57.240 2.163 -2.179 218 HD1 PHE 568 HD1 PHE 568 55.475 0.735 0.710 219 HD2 PHE 568 HD2 PHE 568 56.940 4.350 -1.091 220 HE1 PHE 568 HE1 PHE 568 55.218 1.918 2.874 221 HE2 PHE 568 HE2 PHE 568 56.678 5.533 1.073 222 HZ PHE 568 HZ PHE 568 55.818 4.317 3.055 223 H HIS 569 HN HIS 569 55.587 3.130 -4.710 224 HA HIS 569 HA HIS 569 55.318 1.014 -6.607 225 HB2 HIS 569 HB2 HIS 569 56.831 3.629 -6.628 226 HB3 HIS 569 HB1 HIS 569 57.014 2.491 -7.958 227 HD2 HIS 569 HD2 HIS 569 54.243 1.744 -9.031 228 HE1 HIS 569 HE1 HIS 569 52.843 5.641 -8.197 229 HE2 HIS 569 HE2 HIS 569 52.365 3.493 -9.477 230 HA PRO 570 HA PRO 570 58.770 -1.540 -5.420 231 HB2 PRO 570 HB2 PRO 570 59.141 -1.995 -8.321 232 HB3 PRO 570 HB1 PRO 570 58.828 -3.158 -7.028 233 HG2 PRO 570 HG2 PRO 570 56.945 -2.390 -8.879 234 HG3 PRO 570 HG1 PRO 570 56.563 -3.021 -7.277 235 HD2 PRO 570 HD2 PRO 570 56.263 -0.276 -8.305 236 HD3 PRO 570 HD1 PRO 570 55.541 -1.022 -6.857 237 H GLU 571 HN GLU 571 58.972 1.217 -7.397 238 HA GLU 571 HA GLU 571 61.957 1.188 -7.344 239 HB2 GLU 571 HB2 GLU 571 61.883 2.759 -9.175 240 HB3 GLU 571 HB1 GLU 571 60.813 1.416 -9.580 241 HG2 GLU 571 HG2 GLU 571 59.062 3.017 -8.275 242 HG3 GLU 571 HG1 GLU 571 60.149 4.231 -8.936 243 H HIS 572 HN HIS 572 59.152 2.626 -5.973 244 HA HIS 572 HA HIS 572 60.688 5.028 -5.096 245 HB2 HIS 572 HB2 HIS 572 57.723 4.390 -4.926 246 HB3 HIS 572 HB1 HIS 572 58.468 5.860 -4.297 247 HD2 HIS 572 HD2 HIS 572 60.556 5.848 -7.130 248 HE1 HIS 572 HE1 HIS 572 56.927 6.958 -8.967 249 HE2 HIS 572 HE2 HIS 572 59.450 6.869 -9.246 250 H PHE 573 HN PHE 573 59.730 1.946 -4.039 251 HA PHE 573 HA PHE 573 59.542 2.553 -1.196 252 HB2 PHE 573 HB2 PHE 573 58.513 0.510 -2.221 253 HB3 PHE 573 HB1 PHE 573 60.131 -0.082 -2.583 254 HD1 PHE 573 HD1 PHE 573 58.482 1.512 0.402 255 HD2 PHE 573 HD2 PHE 573 60.839 -1.742 -1.116 256 HE1 PHE 573 HE1 PHE 573 58.654 0.570 2.687 257 HE2 PHE 573 HE2 PHE 573 61.013 -2.683 1.170 258 HZ PHE 573 HZ PHE 573 59.919 -1.527 3.072 259 H VAL 574 HN VAL 574 61.457 3.777 -0.845 260 HA VAL 574 HA VAL 574 64.017 2.299 -1.230 261 HB VAL 574 HB VAL 574 65.113 4.496 -1.017 262 HG11 VAL 574 HG11 VAL 574 63.743 3.560 -3.171 263 HG12 VAL 574 HG12 VAL 574 64.693 5.045 -3.198 264 HG13 VAL 574 HG13 VAL 574 62.949 5.119 -2.951 265 HG21 VAL 574 HG21 VAL 574 63.559 5.585 0.518 266 HG22 VAL 574 HG22 VAL 574 62.263 5.490 -0.674 267 HG23 VAL 574 HG23 VAL 574 63.652 6.537 -0.964 268 H CYS 575 HN CYS 575 65.697 2.902 0.508 269 HA CYS 575 HA CYS 575 64.638 2.083 3.095 270 HB2 CYS 575 HB2 CYS 575 66.790 1.241 2.460 271 HB3 CYS 575 HB1 CYS 575 67.391 2.856 2.107 272 H ALA 576 HN ALA 576 64.098 3.411 4.777 273 HA ALA 576 HA ALA 576 64.092 6.290 4.415 274 HB1 ALA 576 HB1 ALA 576 63.521 4.545 6.828 275 HB2 ALA 576 HB2 ALA 576 62.341 5.279 5.742 276 HB3 ALA 576 HB3 ALA 576 63.304 6.295 6.813 277 H PHE 577 HN PHE 577 66.736 5.223 4.198 278 HA PHE 577 HA PHE 577 68.073 6.779 6.347 279 HB2 PHE 577 HB2 PHE 577 68.026 4.176 6.752 280 HB3 PHE 577 HB1 PHE 577 69.255 4.146 5.492 281 HD1 PHE 577 HD1 PHE 577 71.498 4.598 6.023 282 HD2 PHE 577 HD2 PHE 577 68.396 5.836 8.726 283 HE1 PHE 577 HE1 PHE 577 73.212 5.285 7.677 284 HE2 PHE 577 HE2 PHE 577 70.110 6.522 10.379 285 HZ PHE 577 HZ PHE 577 72.519 6.246 9.855 286 H CYS 578 HN CYS 578 68.867 4.694 3.563 287 HA CYS 578 HA CYS 578 70.730 6.796 2.578 288 HB2 CYS 578 HB2 CYS 578 71.286 4.900 0.891 289 HB3 CYS 578 HB1 CYS 578 71.808 4.695 2.562 290 H LEU 579 HN LEU 579 67.632 5.426 2.013 291 HA LEU 579 HA LEU 579 66.006 5.793 0.377 292 HB2 LEU 579 HB2 LEU 579 67.611 8.338 -0.023 293 HB3 LEU 579 HB1 LEU 579 65.964 8.063 -0.590 294 HG LEU 579 HG LEU 579 65.758 7.387 2.069 295 HD11 LEU 579 HD11 LEU 579 68.113 8.235 2.386 296 HD12 LEU 579 HD12 LEU 579 66.910 9.058 3.377 297 HD13 LEU 579 HD13 LEU 579 67.537 9.836 1.924 298 HD21 LEU 579 HD21 LEU 579 64.192 8.797 0.814 299 HD22 LEU 579 HD22 LEU 579 65.373 10.106 0.773 300 HD23 LEU 579 HD23 LEU 579 64.659 9.610 2.308 301 H LYS 580 HN LYS 580 68.747 4.588 -0.403 302 HA LYS 580 HA LYS 580 69.161 5.359 -3.169 303 HB2 LYS 580 HB2 LYS 580 70.604 3.357 -3.277 304 HB3 LYS 580 HB1 LYS 580 70.949 4.301 -1.828 305 HG2 LYS 580 HG2 LYS 580 69.219 2.736 -0.667 306 HG3 LYS 580 HG1 LYS 580 69.467 1.685 -2.061 307 HD2 LYS 580 HD2 LYS 580 72.045 2.494 -1.203 308 HD3 LYS 580 HD1 LYS 580 71.152 2.041 0.248 309 HE2 LYS 580 HE2 LYS 580 72.215 0.048 -0.616 310 HE3 LYS 580 HE1 LYS 580 70.482 -0.089 -0.912 311 HZ1 LYS 580 HZ1 LYS 580 72.474 -0.293 -2.780 312 HZ2 LYS 580 HZ2 LYS 580 71.816 1.251 -3.044 313 HZ3 LYS 580 HZ3 LYS 580 70.816 -0.122 -3.093 314 H GLN 581 HN GLN 581 67.713 2.466 -1.657 315 HA GLN 581 HA GLN 581 65.475 2.314 -3.391 316 HB2 GLN 581 HB2 GLN 581 67.808 1.520 -4.716 317 HB3 GLN 581 HB1 GLN 581 67.089 0.005 -4.184 318 HG2 GLN 581 HG2 GLN 581 65.033 1.755 -5.210 319 HG3 GLN 581 HG1 GLN 581 66.318 1.578 -6.404 320 HE21 GLN 581 HE21 GLN 581 63.816 -0.147 -4.623 321 HE22 GLN 581 HE22 GLN 581 63.929 -1.593 -5.502 322 H LEU 582 HN LEU 582 64.274 0.240 -2.962 323 HA LEU 582 HA LEU 582 65.396 -1.526 -0.922 324 HB2 LEU 582 HB2 LEU 582 64.449 0.711 0.143 325 HB3 LEU 582 HB1 LEU 582 62.905 -0.114 -0.049 326 HG LEU 582 HG LEU 582 63.948 -2.101 1.117 327 HD11 LEU 582 HD11 LEU 582 66.237 -0.305 0.989 328 HD12 LEU 582 HD12 LEU 582 66.187 -2.026 1.367 329 HD13 LEU 582 HD13 LEU 582 65.911 -0.835 2.636 330 HD21 LEU 582 HD21 LEU 582 62.524 -0.989 2.549 331 HD22 LEU 582 HD22 LEU 582 63.349 0.554 2.333 332 HD23 LEU 582 HD23 LEU 582 64.043 -0.677 3.389 333 H ASN 583 HN ASN 583 63.974 -3.314 -0.414 334 HA ASN 583 HA ASN 583 61.520 -3.607 -2.030 335 HB2 ASN 583 HB2 ASN 583 62.302 -5.756 -2.981 336 HB3 ASN 583 HB1 ASN 583 63.304 -4.414 -3.526 337 HD21 ASN 583 HD21 ASN 583 65.387 -4.071 -2.205 338 HD22 ASN 583 HD22 ASN 583 66.155 -5.448 -1.574 339 H LYS 584 HN LYS 584 60.024 -4.654 -0.804 340 HA LYS 584 HA LYS 584 60.403 -5.404 1.875 341 HB2 LYS 584 HB2 LYS 584 58.164 -5.142 1.177 342 HB3 LYS 584 HB1 LYS 584 58.380 -6.200 -0.213 343 HG2 LYS 584 HG2 LYS 584 57.081 -7.391 1.449 344 HG3 LYS 584 HG1 LYS 584 58.679 -8.127 1.376 345 HD2 LYS 584 HD2 LYS 584 58.065 -7.843 3.709 346 HD3 LYS 584 HD1 LYS 584 59.360 -6.709 3.330 347 HE2 LYS 584 HE2 LYS 584 57.957 -4.862 3.420 348 HE3 LYS 584 HE1 LYS 584 56.527 -5.797 2.984 349 HZ1 LYS 584 HZ1 LYS 584 57.383 -5.083 5.531 350 HZ2 LYS 584 HZ2 LYS 584 57.576 -6.767 5.410 351 HZ3 LYS 584 HZ3 LYS 584 56.059 -6.059 5.117 352 H GLY 585 HN GLY 585 61.070 -7.193 -1.041 353 HA2 GLY 585 HA2 GLY 585 61.142 -9.840 -0.081 354 HA3 GLY 585 HA1 GLY 585 62.154 -9.234 -1.385 355 H THR 586 HN THR 586 63.517 -7.246 0.367 356 HA THR 586 HA THR 586 64.900 -9.003 2.322 357 HB THR 586 HB THR 586 67.116 -8.474 1.377 358 HG1 THR 586 HG1 THR 586 65.606 -7.301 -0.719 359 HG21 THR 586 HG21 THR 586 65.876 -10.521 0.644 360 HG22 THR 586 HG22 THR 586 66.988 -9.911 -0.581 361 HG23 THR 586 HG23 THR 586 65.257 -9.609 -0.733 362 H PHE 587 HN PHE 587 63.230 -6.585 2.635 363 HA PHE 587 HA PHE 587 65.291 -4.610 3.497 364 HB2 PHE 587 HB2 PHE 587 63.770 -2.949 3.161 365 HB3 PHE 587 HB1 PHE 587 62.964 -4.131 2.151 366 HD1 PHE 587 HD1 PHE 587 62.307 -1.778 4.536 367 HD2 PHE 587 HD2 PHE 587 61.584 -5.948 3.796 368 HE1 PHE 587 HE1 PHE 587 60.339 -1.704 6.041 369 HE2 PHE 587 HE2 PHE 587 59.617 -5.872 5.304 370 HZ PHE 587 HZ PHE 587 58.994 -3.751 6.425 371 H LYS 588 HN LYS 588 64.466 -3.392 5.533 372 HA LYS 588 HA LYS 588 63.338 -5.214 7.580 373 HB2 LYS 588 HB2 LYS 588 66.040 -3.848 7.678 374 HB3 LYS 588 HB1 LYS 588 65.207 -4.363 9.139 375 HG2 LYS 588 HG2 LYS 588 65.958 -6.178 6.825 376 HG3 LYS 588 HG1 LYS 588 66.836 -6.060 8.347 377 HD2 LYS 588 HD2 LYS 588 64.020 -7.075 7.920 378 HD3 LYS 588 HD1 LYS 588 65.405 -7.972 8.529 379 HE2 LYS 588 HE2 LYS 588 65.467 -6.329 10.474 380 HE3 LYS 588 HE1 LYS 588 63.898 -5.748 9.918 381 HZ1 LYS 588 HZ1 LYS 588 63.608 -7.438 11.588 382 HZ2 LYS 588 HZ2 LYS 588 64.563 -8.532 10.706 383 HZ3 LYS 588 HZ3 LYS 588 63.060 -8.026 10.095 384 H GLU 589 HN GLU 589 62.841 -3.809 9.613 385 HA GLU 589 HA GLU 589 62.493 -0.955 8.868 386 HB2 GLU 589 HB2 GLU 589 60.201 -0.917 9.228 387 HB3 GLU 589 HB1 GLU 589 60.395 -2.508 8.494 388 HG2 GLU 589 HG2 GLU 589 60.739 -3.286 10.994 389 HG3 GLU 589 HG1 GLU 589 59.877 -1.790 11.364 390 H GLN 590 HN GLN 590 62.366 0.460 10.618 391 HA GLN 590 HA GLN 590 62.520 -0.552 13.369 392 HB2 GLN 590 HB2 GLN 590 64.891 -0.608 12.398 393 HB3 GLN 590 HB1 GLN 590 64.782 1.146 12.285 394 HG2 GLN 590 HG2 GLN 590 65.835 0.709 14.375 395 HG3 GLN 590 HG1 GLN 590 64.171 1.135 14.767 396 HE21 GLN 590 HE21 GLN 590 65.315 -1.994 13.453 397 HE22 GLN 590 HE22 GLN 590 64.841 -2.913 14.799 398 H ASN 591 HN ASN 591 62.053 1.160 14.866 399 HA ASN 591 HA ASN 591 60.972 3.142 15.494 400 HB2 ASN 591 HB2 ASN 591 62.879 4.069 13.344 401 HB3 ASN 591 HB1 ASN 591 61.839 5.200 14.204 402 HD21 ASN 591 HD21 ASN 591 64.890 3.834 14.308 403 HD22 ASN 591 HD22 ASN 591 65.214 4.018 15.964 404 H ASP 592 HN ASP 592 59.902 1.464 13.095 405 HA ASP 592 HA ASP 592 57.847 1.588 11.941 406 HB2 ASP 592 HB2 ASP 592 57.450 3.501 13.765 407 HB3 ASP 592 HB1 ASP 592 57.597 4.537 12.344 408 H LYS 593 HN LYS 593 60.495 2.069 10.738 409 HA LYS 593 HA LYS 593 59.513 3.315 8.246 410 HB2 LYS 593 HB2 LYS 593 62.109 4.321 8.387 411 HB3 LYS 593 HB1 LYS 593 60.626 5.246 8.597 412 HG2 LYS 593 HG2 LYS 593 60.723 4.566 11.066 413 HG3 LYS 593 HG1 LYS 593 62.364 4.019 10.739 414 HD2 LYS 593 HD2 LYS 593 62.844 6.184 11.346 415 HD3 LYS 593 HD1 LYS 593 62.534 6.454 9.631 416 HE2 LYS 593 HE2 LYS 593 60.152 6.963 10.182 417 HE3 LYS 593 HE1 LYS 593 60.544 6.801 11.894 418 HZ1 LYS 593 HZ1 LYS 593 61.156 8.915 11.852 419 HZ2 LYS 593 HZ2 LYS 593 60.969 9.006 10.166 420 HZ3 LYS 593 HZ3 LYS 593 62.445 8.494 10.833 421 HA PRO 594 HA PRO 594 61.731 -0.050 6.463 422 HB2 PRO 594 HB2 PRO 594 62.455 1.076 4.063 423 HB3 PRO 594 HB1 PRO 594 60.832 0.492 4.443 424 HG2 PRO 594 HG2 PRO 594 61.863 3.286 4.355 425 HG3 PRO 594 HG1 PRO 594 60.263 2.666 3.941 426 HD2 PRO 594 HD2 PRO 594 60.849 3.994 6.307 427 HD3 PRO 594 HD1 PRO 594 59.496 2.850 6.115 428 H TYR 595 HN TYR 595 63.786 -0.820 5.905 429 HA TYR 595 HA TYR 595 66.119 0.929 5.724 430 HB2 TYR 595 HB2 TYR 595 65.629 -0.799 8.175 431 HB3 TYR 595 HB1 TYR 595 67.222 -0.202 7.724 432 HD1 TYR 595 HD1 TYR 595 67.247 2.429 7.140 433 HD2 TYR 595 HD2 TYR 595 64.412 0.467 9.696 434 HE1 TYR 595 HE1 TYR 595 66.748 4.592 8.249 435 HE2 TYR 595 HE2 TYR 595 63.918 2.628 10.803 436 HH TYR 595 HH TYR 595 65.855 5.403 10.372 437 H CYS 596 HN CYS 596 67.460 -0.170 4.292 438 HA CYS 596 HA CYS 596 66.872 -2.735 3.279 439 HB2 CYS 596 HB2 CYS 596 69.752 -1.951 3.465 440 HB3 CYS 596 HB1 CYS 596 68.860 -2.610 2.098 441 H GLN 597 HN GLN 597 67.598 -4.810 3.830 442 HA GLN 597 HA GLN 597 67.873 -5.458 6.545 443 HB2 GLN 597 HB2 GLN 597 67.440 -7.363 5.335 444 HB3 GLN 597 HB1 GLN 597 68.375 -6.798 3.953 445 HG2 GLN 597 HG2 GLN 597 69.442 -8.767 4.970 446 HG3 GLN 597 HG1 GLN 597 70.468 -7.347 5.144 447 HE21 GLN 597 HE21 GLN 597 67.707 -7.283 7.228 448 HE22 GLN 597 HE22 GLN 597 68.495 -7.780 8.645 449 H ASN 598 HN ASN 598 70.328 -4.629 4.154 450 HA ASN 598 HA ASN 598 72.612 -5.166 5.830 451 HB2 ASN 598 HB2 ASN 598 72.806 -4.910 3.374 452 HB3 ASN 598 HB1 ASN 598 72.310 -3.224 3.512 453 HD21 ASN 598 HD21 ASN 598 74.866 -5.491 4.644 454 HD22 ASN 598 HD22 ASN 598 76.070 -4.303 4.780 455 H CYS 599 HN CYS 599 70.542 -2.348 5.258 456 HA CYS 599 HA CYS 599 72.056 -0.513 6.897 457 HB2 CYS 599 HB2 CYS 599 69.233 -0.581 5.838 458 HB3 CYS 599 HB1 CYS 599 69.687 0.620 7.042 459 H PHE 600 HN PHE 600 68.950 -2.202 7.538 460 HA PHE 600 HA PHE 600 68.731 -1.701 10.296 461 HB2 PHE 600 HB2 PHE 600 66.956 -2.855 9.154 462 HB3 PHE 600 HB1 PHE 600 68.035 -4.145 8.640 463 HD1 PHE 600 HD1 PHE 600 65.953 -2.855 11.344 464 HD2 PHE 600 HD2 PHE 600 68.925 -5.780 10.307 465 HE1 PHE 600 HE1 PHE 600 65.394 -4.151 13.383 466 HE2 PHE 600 HE2 PHE 600 68.368 -7.069 12.349 467 HZ PHE 600 HZ PHE 600 66.602 -6.256 13.886 468 H LEU 601 HN LEU 601 70.499 -4.278 8.631 469 HA LEU 601 HA LEU 601 71.601 -5.579 10.911 470 HB2 LEU 601 HB2 LEU 601 71.678 -6.556 8.676 471 HB3 LEU 601 HB1 LEU 601 72.651 -5.218 8.088 472 HG LEU 601 HG LEU 601 74.371 -5.903 9.880 473 HD11 LEU 601 HD11 LEU 601 72.907 -7.359 11.194 474 HD12 LEU 601 HD12 LEU 601 74.230 -8.310 10.520 475 HD13 LEU 601 HD13 LEU 601 72.627 -8.384 9.787 476 HD21 LEU 601 HD21 LEU 601 74.689 -6.284 7.478 477 HD22 LEU 601 HD22 LEU 601 73.717 -7.753 7.566 478 HD23 LEU 601 HD23 LEU 601 75.276 -7.677 8.390 479 H LYS 602 HN LYS 602 72.326 -2.606 9.298 480 HA LYS 602 HA LYS 602 74.921 -2.217 10.648 481 HB2 LYS 602 HB2 LYS 602 73.884 -1.363 8.238 482 HB3 LYS 602 HB1 LYS 602 73.690 0.064 9.246 483 HG2 LYS 602 HG2 LYS 602 75.849 0.283 8.314 484 HG3 LYS 602 HG1 LYS 602 76.128 -0.303 9.953 485 HD2 LYS 602 HD2 LYS 602 77.521 -1.656 8.575 486 HD3 LYS 602 HD1 LYS 602 76.122 -2.666 8.938 487 HE2 LYS 602 HE2 LYS 602 75.225 -2.425 6.790 488 HE3 LYS 602 HE1 LYS 602 76.115 -0.936 6.477 489 HZ1 LYS 602 HZ1 LYS 602 77.213 -3.689 6.609 490 HZ2 LYS 602 HZ2 LYS 602 78.177 -2.292 6.532 491 HZ3 LYS 602 HZ3 LYS 602 77.134 -2.679 5.248 492 H LEU 603 HN LEU 603 71.605 -0.943 10.742 493 HA LEU 603 HA LEU 603 72.272 0.999 12.835 494 HB2 LEU 603 HB2 LEU 603 69.456 0.226 12.131 495 HB3 LEU 603 HB1 LEU 603 70.088 1.795 12.603 496 HG LEU 603 HG LEU 603 70.487 0.406 9.948 497 HD11 LEU 603 HD11 LEU 603 68.306 1.502 10.246 498 HD12 LEU 603 HD12 LEU 603 69.291 2.378 9.074 499 HD13 LEU 603 HD13 LEU 603 69.119 2.996 10.717 500 HD21 LEU 603 HD21 LEU 603 72.557 1.516 10.385 501 HD22 LEU 603 HD22 LEU 603 71.740 2.905 11.103 502 HD23 LEU 603 HD23 LEU 603 71.636 2.622 9.364 503 H PHE 604 HN PHE 604 70.074 -1.808 12.644 504 HA PHE 604 HA PHE 604 69.700 -1.913 15.509 505 HB2 PHE 604 HB2 PHE 604 68.193 -2.828 13.572 506 HB3 PHE 604 HB1 PHE 604 69.214 -4.260 13.698 507 HD1 PHE 604 HD1 PHE 604 68.829 -5.859 15.389 508 HD2 PHE 604 HD2 PHE 604 67.111 -1.938 15.742 509 HE1 PHE 604 HE1 PHE 604 67.542 -6.601 17.374 510 HE2 PHE 604 HE2 PHE 604 65.824 -2.680 17.727 511 HZ PHE 604 HZ PHE 604 66.039 -5.012 18.543 512 H CYS 605 HN CYS 605 72.121 -3.133 13.364 513 HA CYS 605 HA CYS 605 73.405 -4.498 15.673 514 HB2 CYS 605 HB2 CYS 605 72.039 -6.087 14.068 515 HB3 CYS 605 HB1 CYS 605 73.438 -5.892 13.013 516 HG CYS 605 HG CYS 605 74.864 -6.671 15.244 Start of MODEL 13 1 H TYR 541 HT1 TYR 541 42.829 -5.666 -17.852 2 HA TYR 541 HA TYR 541 41.544 -6.336 -15.264 3 HB2 TYR 541 HB2 TYR 541 44.028 -4.711 -15.887 4 HB3 TYR 541 HB1 TYR 541 43.163 -4.618 -14.352 5 HD1 TYR 541 HD1 TYR 541 42.995 -6.626 -12.880 6 HD2 TYR 541 HD2 TYR 541 45.410 -6.606 -16.434 7 HE1 TYR 541 HE1 TYR 541 44.187 -8.649 -12.083 8 HE2 TYR 541 HE2 TYR 541 46.601 -8.629 -15.635 9 HH TYR 541 HH TYR 541 46.822 -9.613 -12.757 10 H HIS 542 HN HIS 542 40.645 -4.310 -14.304 11 HA HIS 542 HA HIS 542 39.229 -2.765 -16.342 12 HB2 HIS 542 HB2 HIS 542 38.115 -1.696 -14.424 13 HB3 HIS 542 HB1 HIS 542 38.121 -3.447 -14.233 14 HD1 HIS 542 HD1 HIS 542 39.910 -0.347 -12.990 15 HD2 HIS 542 HD2 HIS 542 39.530 -4.376 -11.991 16 HE1 HIS 542 HE1 HIS 542 41.039 -0.638 -10.742 17 H GLU 543 HN GLU 543 39.081 -0.227 -15.346 18 HA GLU 543 HA GLU 543 41.899 0.751 -15.193 19 HB2 GLU 543 HB2 GLU 543 39.717 1.691 -17.075 20 HB3 GLU 543 HB1 GLU 543 41.167 2.637 -16.738 21 HG2 GLU 543 HG2 GLU 543 42.587 0.825 -17.556 22 HG3 GLU 543 HG1 GLU 543 41.177 -0.205 -17.801 23 H ARG 544 HN ARG 544 42.059 1.928 -13.359 24 HA ARG 544 HA ARG 544 39.877 3.815 -12.664 25 HB2 ARG 544 HB2 ARG 544 40.075 1.365 -11.383 26 HB3 ARG 544 HB1 ARG 544 40.950 2.447 -10.302 27 HG2 ARG 544 HG2 ARG 544 38.226 3.142 -11.419 28 HG3 ARG 544 HG1 ARG 544 38.427 2.255 -9.910 29 HD2 ARG 544 HD2 ARG 544 38.361 4.428 -9.101 30 HD3 ARG 544 HD1 ARG 544 40.096 4.235 -9.345 31 HE ARG 544 HE ARG 544 39.178 5.226 -11.772 32 HH11 ARG 544 HH11 ARG 544 39.085 7.427 -12.231 33 HH12 ARG 544 HH12 ARG 544 38.964 8.567 -10.933 34 HH21 ARG 544 HH21 ARG 544 38.976 6.152 -8.452 35 HH22 ARG 544 HH22 ARG 544 38.902 7.846 -8.797 36 H ARG 545 HN ARG 545 42.984 2.568 -11.369 37 HA ARG 545 HA ARG 545 44.323 5.095 -11.783 38 HB2 ARG 545 HB2 ARG 545 44.748 5.337 -9.213 39 HB3 ARG 545 HB1 ARG 545 43.305 6.023 -9.928 40 HG2 ARG 545 HG2 ARG 545 42.048 4.788 -8.523 41 HG3 ARG 545 HG1 ARG 545 42.673 3.333 -9.291 42 HD2 ARG 545 HD2 ARG 545 43.795 2.832 -7.418 43 HD3 ARG 545 HD1 ARG 545 44.729 4.313 -7.592 44 HE ARG 545 HE ARG 545 42.846 3.835 -5.548 45 HH11 ARG 545 HH11 ARG 545 41.712 5.433 -4.465 46 HH12 ARG 545 HH12 ARG 545 41.569 7.010 -5.166 47 HH21 ARG 545 HH21 ARG 545 43.401 6.223 -7.989 48 HH22 ARG 545 HH22 ARG 545 42.518 7.453 -7.154 49 H GLY 546 HN GLY 546 44.621 2.766 -9.115 50 HA2 GLY 546 HA2 GLY 546 46.315 0.859 -9.837 51 HA3 GLY 546 HA1 GLY 546 47.378 2.253 -10.034 52 H SER 547 HN SER 547 48.287 3.192 -8.230 53 HA SER 547 HA SER 547 47.287 2.729 -5.537 54 HB2 SER 547 HB2 SER 547 49.180 0.849 -6.678 55 HB3 SER 547 HB1 SER 547 49.900 1.689 -5.308 56 HG SER 547 HG SER 547 47.351 0.427 -5.329 57 H LEU 548 HN LEU 548 47.811 4.609 -4.504 58 HA LEU 548 HA LEU 548 49.686 6.473 -5.654 59 HB2 LEU 548 HB2 LEU 548 48.054 6.390 -3.141 60 HB3 LEU 548 HB1 LEU 548 49.345 7.575 -3.281 61 HG LEU 548 HG LEU 548 48.375 8.467 -5.330 62 HD11 LEU 548 HD11 LEU 548 46.439 6.173 -4.991 63 HD12 LEU 548 HD12 LEU 548 47.441 6.557 -6.391 64 HD13 LEU 548 HD13 LEU 548 46.062 7.578 -5.988 65 HD21 LEU 548 HD21 LEU 548 46.217 8.102 -3.229 66 HD22 LEU 548 HD22 LEU 548 46.323 9.411 -4.406 67 HD23 LEU 548 HD23 LEU 548 47.525 9.280 -3.123 68 H CYS 549 HN CYS 549 51.796 6.859 -5.135 69 HA CYS 549 HA CYS 549 53.226 4.855 -3.559 70 HB2 CYS 549 HB2 CYS 549 54.615 5.513 -5.270 71 HB3 CYS 549 HB1 CYS 549 53.925 7.130 -5.347 72 H SER 550 HN SER 550 53.115 5.044 -1.365 73 HA SER 550 HA SER 550 52.299 7.319 0.054 74 HB2 SER 550 HB2 SER 550 54.285 5.230 0.989 75 HB3 SER 550 HB1 SER 550 53.387 6.328 2.029 76 HG SER 550 HG SER 550 52.477 4.172 0.458 77 H GLY 551 HN GLY 551 53.187 9.260 -0.120 78 HA2 GLY 551 HA2 GLY 551 55.200 10.627 0.636 79 HA3 GLY 551 HA1 GLY 551 56.161 9.509 -0.345 80 H CYS 552 HN CYS 552 54.065 9.282 -2.392 81 HA CYS 552 HA CYS 552 54.521 11.894 -3.776 82 HB2 CYS 552 HB2 CYS 552 54.299 9.053 -4.670 83 HB3 CYS 552 HB1 CYS 552 53.694 10.299 -5.760 84 H GLN 553 HN GLN 553 52.093 9.614 -2.688 85 HA GLN 553 HA GLN 553 49.757 9.722 -2.664 86 HB2 GLN 553 HB2 GLN 553 50.408 12.674 -2.954 87 HB3 GLN 553 HB1 GLN 553 48.781 12.055 -2.681 88 HG2 GLN 553 HG2 GLN 553 49.591 12.578 -0.515 89 HG3 GLN 553 HG1 GLN 553 49.764 10.831 -0.644 90 HE21 GLN 553 HE21 GLN 553 51.668 10.385 0.509 91 HE22 GLN 553 HE22 GLN 553 53.155 11.158 0.240 92 H LYS 554 HN LYS 554 51.255 9.348 -5.165 93 HA LYS 554 HA LYS 554 49.086 10.093 -7.073 94 HB2 LYS 554 HB2 LYS 554 52.083 10.304 -7.514 95 HB3 LYS 554 HB1 LYS 554 50.901 10.368 -8.820 96 HG2 LYS 554 HG2 LYS 554 50.883 12.243 -6.438 97 HG3 LYS 554 HG1 LYS 554 51.624 12.633 -7.989 98 HD2 LYS 554 HD2 LYS 554 49.276 11.954 -8.964 99 HD3 LYS 554 HD1 LYS 554 48.719 12.264 -7.320 100 HE2 LYS 554 HE2 LYS 554 48.470 14.351 -8.402 101 HE3 LYS 554 HE1 LYS 554 49.989 14.510 -7.520 102 HZ1 LYS 554 HZ1 LYS 554 49.590 14.006 -10.407 103 HZ2 LYS 554 HZ2 LYS 554 51.074 13.693 -9.643 104 HZ3 LYS 554 HZ3 LYS 554 50.444 15.271 -9.668 105 HA PRO 555 HA PRO 555 48.895 5.746 -7.813 106 HB2 PRO 555 HB2 PRO 555 48.838 6.360 -10.692 107 HB3 PRO 555 HB1 PRO 555 47.644 5.528 -9.687 108 HG2 PRO 555 HG2 PRO 555 47.415 8.133 -10.646 109 HG3 PRO 555 HG1 PRO 555 46.476 7.450 -9.316 110 HD2 PRO 555 HD2 PRO 555 48.542 9.502 -9.204 111 HD3 PRO 555 HD1 PRO 555 47.489 8.916 -7.891 112 H ILE 556 HN ILE 556 50.166 4.035 -8.556 113 HA ILE 556 HA ILE 556 52.903 4.802 -9.451 114 HB ILE 556 HB ILE 556 51.819 2.388 -7.973 115 HG12 ILE 556 HG12 ILE 556 53.971 4.275 -7.028 116 HG13 ILE 556 HG11 ILE 556 52.279 4.738 -6.879 117 HG21 ILE 556 HG21 ILE 556 54.560 2.964 -9.123 118 HG22 ILE 556 HG22 ILE 556 53.563 1.530 -9.358 119 HG23 ILE 556 HG23 ILE 556 54.323 1.829 -7.796 120 HD11 ILE 556 HD11 ILE 556 53.815 2.770 -5.338 121 HD12 ILE 556 HD12 ILE 556 52.279 2.138 -5.928 122 HD13 ILE 556 HD13 ILE 556 52.309 3.589 -4.927 123 H THR 557 HN THR 557 52.616 4.811 -11.695 124 HA THR 557 HA THR 557 51.224 2.622 -13.046 125 HB THR 557 HB THR 557 52.057 3.806 -15.124 126 HG1 THR 557 HG1 THR 557 53.912 4.713 -14.140 127 HG21 THR 557 HG21 THR 557 49.884 4.407 -14.391 128 HG22 THR 557 HG22 THR 557 50.725 5.945 -14.582 129 HG23 THR 557 HG23 THR 557 50.505 5.253 -12.974 130 H GLY 558 HN GLY 558 52.303 0.703 -12.781 131 HA2 GLY 558 HA2 GLY 558 54.036 -0.575 -14.177 132 HA3 GLY 558 HA1 GLY 558 55.193 0.596 -13.535 133 H ARG 559 HN ARG 559 56.395 -1.008 -12.374 134 HA ARG 559 HA ARG 559 55.218 -2.906 -10.582 135 HB2 ARG 559 HB2 ARG 559 57.943 -1.667 -10.874 136 HB3 ARG 559 HB1 ARG 559 57.583 -2.616 -9.433 137 HG2 ARG 559 HG2 ARG 559 56.723 -3.885 -11.952 138 HG3 ARG 559 HG1 ARG 559 58.468 -3.672 -11.810 139 HD2 ARG 559 HD2 ARG 559 58.481 -4.832 -9.666 140 HD3 ARG 559 HD1 ARG 559 56.721 -4.956 -9.689 141 HE ARG 559 HE ARG 559 57.504 -6.193 -12.043 142 HH11 ARG 559 HH11 ARG 559 57.946 -8.398 -12.178 143 HH12 ARG 559 HH12 ARG 559 58.434 -9.261 -10.758 144 HH21 ARG 559 HH21 ARG 559 58.283 -6.487 -8.691 145 HH22 ARG 559 HH22 ARG 559 58.624 -8.182 -8.788 146 H CYS 560 HN CYS 560 55.283 -2.754 -8.165 147 HA CYS 560 HA CYS 560 55.409 -0.042 -7.036 148 HB2 CYS 560 HB2 CYS 560 53.121 0.038 -6.285 149 HB3 CYS 560 HB1 CYS 560 53.096 -0.269 -8.021 150 HG CYS 560 HG CYS 560 52.978 -2.790 -6.245 151 H ILE 561 HN ILE 561 55.961 -0.108 -4.920 152 HA ILE 561 HA ILE 561 56.344 -2.777 -3.699 153 HB ILE 561 HB ILE 561 57.100 -0.173 -2.391 154 HG12 ILE 561 HG12 ILE 561 57.860 -0.050 -4.768 155 HG13 ILE 561 HG11 ILE 561 59.207 -0.158 -3.641 156 HG21 ILE 561 HG21 ILE 561 57.584 -1.986 -0.997 157 HG22 ILE 561 HG22 ILE 561 59.114 -1.752 -1.844 158 HG23 ILE 561 HG23 ILE 561 58.017 -3.036 -2.347 159 HD11 ILE 561 HD11 ILE 561 58.024 -2.474 -5.202 160 HD12 ILE 561 HD12 ILE 561 59.363 -2.591 -4.061 161 HD13 ILE 561 HD13 ILE 561 59.553 -1.670 -5.552 162 H THR 562 HN THR 562 55.411 -3.345 -1.695 163 HA THR 562 HA THR 562 53.242 -1.535 -0.708 164 HB THR 562 HB THR 562 53.151 -4.562 -0.935 165 HG1 THR 562 HG1 THR 562 52.834 -3.301 -2.878 166 HG21 THR 562 HG21 THR 562 50.687 -4.042 -0.283 167 HG22 THR 562 HG22 THR 562 51.332 -2.516 0.323 168 HG23 THR 562 HG23 THR 562 51.905 -4.044 0.993 169 H ALA 563 HN ALA 563 54.097 -0.811 1.181 170 HA ALA 563 HA ALA 563 55.707 -2.630 2.865 171 HB1 ALA 563 HB1 ALA 563 56.380 -0.239 2.440 172 HB2 ALA 563 HB2 ALA 563 56.254 -0.656 4.149 173 HB3 ALA 563 HB3 ALA 563 54.967 0.263 3.368 174 H MET 564 HN MET 564 54.466 -0.669 5.074 175 HA MET 564 HA MET 564 52.691 -2.669 6.186 176 HB2 MET 564 HB2 MET 564 53.107 0.233 6.959 177 HB3 MET 564 HB1 MET 564 52.294 -0.980 7.944 178 HG2 MET 564 HG2 MET 564 54.313 -2.236 8.231 179 HG3 MET 564 HG1 MET 564 55.144 -1.311 6.981 180 HE1 MET 564 HE1 MET 564 56.924 -1.105 8.090 181 HE2 MET 564 HE2 MET 564 57.183 -0.625 9.764 182 HE3 MET 564 HE3 MET 564 57.211 0.593 8.493 183 H ALA 565 HN ALA 565 51.563 -2.457 3.896 184 HA ALA 565 HA ALA 565 49.445 -2.117 2.917 185 HB1 ALA 565 HB1 ALA 565 48.802 -1.727 5.495 186 HB2 ALA 565 HB2 ALA 565 47.679 -1.345 4.191 187 HB3 ALA 565 HB3 ALA 565 48.635 -0.063 4.932 188 H LYS 566 HN LYS 566 51.778 0.177 3.706 189 HA LYS 566 HA LYS 566 50.615 2.353 2.077 190 HB2 LYS 566 HB2 LYS 566 52.850 2.043 3.988 191 HB3 LYS 566 HB1 LYS 566 53.189 3.112 2.628 192 HG2 LYS 566 HG2 LYS 566 51.115 4.376 3.115 193 HG3 LYS 566 HG1 LYS 566 50.808 3.323 4.496 194 HD2 LYS 566 HD2 LYS 566 53.371 4.903 4.192 195 HD3 LYS 566 HD1 LYS 566 51.955 5.538 5.030 196 HE2 LYS 566 HE2 LYS 566 52.877 4.540 6.860 197 HE3 LYS 566 HE1 LYS 566 52.172 3.071 6.186 198 HZ1 LYS 566 HZ1 LYS 566 54.376 2.505 6.501 199 HZ2 LYS 566 HZ2 LYS 566 54.956 4.030 6.030 200 HZ3 LYS 566 HZ3 LYS 566 54.354 2.950 4.865 201 H LYS 567 HN LYS 567 51.212 2.721 -0.040 202 HA LYS 567 HA LYS 567 53.027 0.737 -1.273 203 HB2 LYS 567 HB2 LYS 567 50.969 2.662 -2.323 204 HB3 LYS 567 HB1 LYS 567 52.176 1.976 -3.409 205 HG2 LYS 567 HG2 LYS 567 50.063 0.635 -3.320 206 HG3 LYS 567 HG1 LYS 567 51.490 -0.281 -2.833 207 HD2 LYS 567 HD2 LYS 567 50.924 -0.186 -0.543 208 HD3 LYS 567 HD1 LYS 567 49.809 1.162 -0.785 209 HE2 LYS 567 HE2 LYS 567 48.135 -0.196 -1.666 210 HE3 LYS 567 HE1 LYS 567 49.274 -1.442 -2.173 211 HZ1 LYS 567 HZ1 LYS 567 47.796 -1.768 -0.065 212 HZ2 LYS 567 HZ2 LYS 567 49.011 -0.848 0.688 213 HZ3 LYS 567 HZ3 LYS 567 49.402 -2.313 -0.081 214 H PHE 568 HN PHE 568 54.485 1.653 -3.046 215 HA PHE 568 HA PHE 568 55.473 4.400 -2.626 216 HB2 PHE 568 HB2 PHE 568 57.077 1.943 -1.852 217 HB3 PHE 568 HB1 PHE 568 57.830 3.492 -2.206 218 HD1 PHE 568 HD1 PHE 568 57.483 5.431 -0.716 219 HD2 PHE 568 HD2 PHE 568 55.789 1.584 0.173 220 HE1 PHE 568 HE1 PHE 568 57.073 6.150 1.622 221 HE2 PHE 568 HE2 PHE 568 55.375 2.306 2.508 222 HZ PHE 568 HZ PHE 568 56.019 4.588 3.234 223 H HIS 569 HN HIS 569 56.472 5.103 -4.538 224 HA HIS 569 HA HIS 569 56.319 3.510 -6.904 225 HB2 HIS 569 HB2 HIS 569 57.890 5.980 -6.164 226 HB3 HIS 569 HB1 HIS 569 58.194 5.175 -7.699 227 HD2 HIS 569 HD2 HIS 569 55.539 4.819 -9.189 228 HE1 HIS 569 HE1 HIS 569 54.133 8.474 -7.608 229 HE2 HIS 569 HE2 HIS 569 53.753 6.703 -9.396 230 HA PRO 570 HA PRO 570 59.545 0.555 -6.098 231 HB2 PRO 570 HB2 PRO 570 60.221 0.850 -8.968 232 HB3 PRO 570 HB1 PRO 570 59.749 -0.592 -8.061 233 HG2 PRO 570 HG2 PRO 570 58.082 0.706 -9.815 234 HG3 PRO 570 HG1 PRO 570 57.523 -0.278 -8.461 235 HD2 PRO 570 HD2 PRO 570 57.414 2.650 -8.790 236 HD3 PRO 570 HD1 PRO 570 56.516 1.608 -7.658 237 H GLU 571 HN GLU 571 60.077 3.720 -7.195 238 HA GLU 571 HA GLU 571 63.029 3.459 -6.801 239 HB2 GLU 571 HB2 GLU 571 63.232 5.518 -8.154 240 HB3 GLU 571 HB1 GLU 571 62.420 4.239 -9.059 241 HG2 GLU 571 HG2 GLU 571 60.248 5.210 -8.605 242 HG3 GLU 571 HG1 GLU 571 60.957 6.401 -7.520 243 H HIS 572 HN HIS 572 60.122 4.736 -5.510 244 HA HIS 572 HA HIS 572 61.586 6.835 -3.987 245 HB2 HIS 572 HB2 HIS 572 58.615 6.275 -4.257 246 HB3 HIS 572 HB1 HIS 572 59.300 7.544 -3.242 247 HD2 HIS 572 HD2 HIS 572 61.686 8.052 -5.797 248 HE1 HIS 572 HE1 HIS 572 58.294 9.718 -7.669 249 HE2 HIS 572 HE2 HIS 572 60.829 9.565 -7.727 250 H PHE 573 HN PHE 573 60.508 3.633 -3.696 251 HA PHE 573 HA PHE 573 60.038 3.640 -0.820 252 HB2 PHE 573 HB2 PHE 573 59.112 1.878 -2.348 253 HB3 PHE 573 HB1 PHE 573 60.757 1.335 -2.660 254 HD1 PHE 573 HD1 PHE 573 61.299 -0.612 -1.506 255 HD2 PHE 573 HD2 PHE 573 58.819 2.324 0.410 256 HE1 PHE 573 HE1 PHE 573 61.231 -2.006 0.544 257 HE2 PHE 573 HE2 PHE 573 58.750 0.930 2.458 258 HZ PHE 573 HZ PHE 573 59.955 -1.235 2.525 259 H VAL 574 HN VAL 574 61.906 4.714 -0.029 260 HA VAL 574 HA VAL 574 64.491 3.293 -0.467 261 HB VAL 574 HB VAL 574 65.569 5.382 0.267 262 HG11 VAL 574 HG11 VAL 574 65.355 6.357 -1.791 263 HG12 VAL 574 HG12 VAL 574 63.595 6.415 -1.695 264 HG13 VAL 574 HG13 VAL 574 64.405 4.914 -2.143 265 HG21 VAL 574 HG21 VAL 574 62.703 6.352 0.539 266 HG22 VAL 574 HG22 VAL 574 64.117 7.405 0.588 267 HG23 VAL 574 HG23 VAL 574 63.883 6.185 1.839 268 H CYS 575 HN CYS 575 66.002 3.513 1.499 269 HA CYS 575 HA CYS 575 64.698 2.239 3.774 270 HB2 CYS 575 HB2 CYS 575 66.889 1.472 3.178 271 HB3 CYS 575 HB1 CYS 575 67.540 3.106 3.201 272 H ALA 576 HN ALA 576 64.030 3.235 5.631 273 HA ALA 576 HA ALA 576 64.097 6.132 5.830 274 HB1 ALA 576 HB1 ALA 576 62.207 4.987 6.779 275 HB2 ALA 576 HB2 ALA 576 63.107 5.682 8.125 276 HB3 ALA 576 HB3 ALA 576 63.247 3.962 7.766 277 H PHE 577 HN PHE 577 66.726 5.102 5.631 278 HA PHE 577 HA PHE 577 67.888 6.147 8.151 279 HB2 PHE 577 HB2 PHE 577 67.745 3.516 8.056 280 HB3 PHE 577 HB1 PHE 577 69.088 3.671 6.929 281 HD1 PHE 577 HD1 PHE 577 67.981 4.944 10.288 282 HD2 PHE 577 HD2 PHE 577 71.260 3.752 7.779 283 HE1 PHE 577 HE1 PHE 577 69.545 5.243 12.188 284 HE2 PHE 577 HE2 PHE 577 72.822 4.054 9.680 285 HZ PHE 577 HZ PHE 577 71.965 4.799 11.884 286 H CYS 578 HN CYS 578 68.915 4.564 5.124 287 HA CYS 578 HA CYS 578 70.908 6.732 4.711 288 HB2 CYS 578 HB2 CYS 578 71.600 5.177 2.774 289 HB3 CYS 578 HB1 CYS 578 71.887 4.586 4.409 290 H LEU 579 HN LEU 579 67.839 5.625 3.626 291 HA LEU 579 HA LEU 579 66.385 6.361 1.953 292 HB2 LEU 579 HB2 LEU 579 68.073 8.870 2.208 293 HB3 LEU 579 HB1 LEU 579 66.486 8.776 1.447 294 HG LEU 579 HG LEU 579 66.017 7.601 3.896 295 HD11 LEU 579 HD11 LEU 579 68.364 8.358 4.537 296 HD12 LEU 579 HD12 LEU 579 67.071 8.903 5.604 297 HD13 LEU 579 HD13 LEU 579 67.766 10.013 4.423 298 HD21 LEU 579 HD21 LEU 579 64.924 9.776 4.454 299 HD22 LEU 579 HD22 LEU 579 64.577 9.252 2.806 300 HD23 LEU 579 HD23 LEU 579 65.769 10.519 3.095 301 H LYS 580 HN LYS 580 69.174 5.235 1.208 302 HA LYS 580 HA LYS 580 69.864 6.501 -1.307 303 HB2 LYS 580 HB2 LYS 580 71.274 4.509 -1.668 304 HB3 LYS 580 HB1 LYS 580 71.486 5.132 -0.032 305 HG2 LYS 580 HG2 LYS 580 69.628 3.440 0.629 306 HG3 LYS 580 HG1 LYS 580 69.969 2.682 -0.925 307 HD2 LYS 580 HD2 LYS 580 72.479 3.186 0.305 308 HD3 LYS 580 HD1 LYS 580 71.439 2.467 1.535 309 HE2 LYS 580 HE2 LYS 580 72.535 0.665 0.352 310 HE3 LYS 580 HE1 LYS 580 70.837 0.673 -0.124 311 HZ1 LYS 580 HZ1 LYS 580 71.349 1.218 -2.214 312 HZ2 LYS 580 HZ2 LYS 580 72.923 0.705 -1.832 313 HZ3 LYS 580 HZ3 LYS 580 72.520 2.354 -1.749 314 H GLN 581 HN GLN 581 68.207 3.444 -0.510 315 HA GLN 581 HA GLN 581 66.140 3.699 -2.425 316 HB2 GLN 581 HB2 GLN 581 68.568 3.096 -3.681 317 HB3 GLN 581 HB1 GLN 581 67.774 1.534 -3.521 318 HG2 GLN 581 HG2 GLN 581 65.852 3.525 -4.347 319 HG3 GLN 581 HG1 GLN 581 67.235 3.542 -5.441 320 HE21 GLN 581 HE21 GLN 581 64.555 1.588 -4.254 321 HE22 GLN 581 HE22 GLN 581 64.718 0.341 -5.393 322 H LEU 582 HN LEU 582 64.880 1.613 -2.517 323 HA LEU 582 HA LEU 582 65.800 -0.525 -0.744 324 HB2 LEU 582 HB2 LEU 582 64.742 1.476 0.621 325 HB3 LEU 582 HB1 LEU 582 63.223 0.750 0.103 326 HG LEU 582 HG LEU 582 64.105 -1.452 0.972 327 HD11 LEU 582 HD11 LEU 582 66.300 -1.507 1.474 328 HD12 LEU 582 HD12 LEU 582 65.904 -0.561 2.908 329 HD13 LEU 582 HD13 LEU 582 66.419 0.251 1.432 330 HD21 LEU 582 HD21 LEU 582 63.977 -0.471 3.476 331 HD22 LEU 582 HD22 LEU 582 62.553 -0.607 2.445 332 HD23 LEU 582 HD23 LEU 582 63.388 0.938 2.594 333 H ASN 583 HN ASN 583 64.320 -2.345 -0.699 334 HA ASN 583 HA ASN 583 62.091 -2.315 -2.644 335 HB2 ASN 583 HB2 ASN 583 63.864 -2.956 -4.113 336 HB3 ASN 583 HB1 ASN 583 64.591 -4.005 -2.897 337 HD21 ASN 583 HD21 ASN 583 61.287 -3.681 -4.343 338 HD22 ASN 583 HD22 ASN 583 61.103 -5.341 -4.642 339 H LYS 584 HN LYS 584 60.438 -3.383 -1.691 340 HA LYS 584 HA LYS 584 60.501 -4.605 0.827 341 HB2 LYS 584 HB2 LYS 584 58.363 -4.067 -0.009 342 HB3 LYS 584 HB1 LYS 584 58.656 -4.885 -1.540 343 HG2 LYS 584 HG2 LYS 584 57.117 -6.222 -0.205 344 HG3 LYS 584 HG1 LYS 584 58.653 -7.073 -0.331 345 HD2 LYS 584 HD2 LYS 584 58.125 -7.247 1.958 346 HD3 LYS 584 HD1 LYS 584 59.247 -5.890 1.904 347 HE2 LYS 584 HE2 LYS 584 57.427 -5.160 3.267 348 HE3 LYS 584 HE1 LYS 584 57.190 -4.378 1.704 349 HZ1 LYS 584 HZ1 LYS 584 55.525 -6.249 3.046 350 HZ2 LYS 584 HZ2 LYS 584 55.943 -6.820 1.501 351 HZ3 LYS 584 HZ3 LYS 584 55.192 -5.305 1.676 352 H GLY 585 HN GLY 585 61.344 -5.951 -2.285 353 HA2 GLY 585 HA2 GLY 585 61.175 -8.719 -1.712 354 HA3 GLY 585 HA1 GLY 585 62.287 -8.007 -2.873 355 H THR 586 HN THR 586 63.602 -6.355 -0.718 356 HA THR 586 HA THR 586 64.835 -8.484 0.951 357 HB THR 586 HB THR 586 67.102 -7.883 0.250 358 HG1 THR 586 HG1 THR 586 66.869 -5.777 -0.340 359 HG21 THR 586 HG21 THR 586 65.861 -9.645 -1.008 360 HG22 THR 586 HG22 THR 586 67.054 -8.812 -2.005 361 HG23 THR 586 HG23 THR 586 65.342 -8.416 -2.162 362 H PHE 587 HN PHE 587 63.176 -6.105 1.586 363 HA PHE 587 HA PHE 587 65.198 -4.399 2.962 364 HB2 PHE 587 HB2 PHE 587 63.739 -2.656 2.829 365 HB3 PHE 587 HB1 PHE 587 62.989 -3.606 1.561 366 HD1 PHE 587 HD1 PHE 587 62.191 -1.706 4.280 367 HD2 PHE 587 HD2 PHE 587 61.461 -5.653 2.748 368 HE1 PHE 587 HE1 PHE 587 60.116 -1.846 5.628 369 HE2 PHE 587 HE2 PHE 587 59.388 -5.791 4.100 370 HZ PHE 587 HZ PHE 587 58.715 -3.888 5.539 371 H LYS 588 HN LYS 588 64.210 -3.561 5.131 372 HA LYS 588 HA LYS 588 62.894 -5.707 6.690 373 HB2 LYS 588 HB2 LYS 588 65.643 -4.558 7.186 374 HB3 LYS 588 HB1 LYS 588 64.673 -5.160 8.526 375 HG2 LYS 588 HG2 LYS 588 65.262 -6.814 6.057 376 HG3 LYS 588 HG1 LYS 588 66.284 -6.839 7.492 377 HD2 LYS 588 HD2 LYS 588 64.906 -8.373 8.389 378 HD3 LYS 588 HD1 LYS 588 63.648 -7.139 8.449 379 HE2 LYS 588 HE2 LYS 588 62.833 -7.755 6.269 380 HE3 LYS 588 HE1 LYS 588 64.212 -8.817 5.991 381 HZ1 LYS 588 HZ1 LYS 588 62.120 -9.953 6.696 382 HZ2 LYS 588 HZ2 LYS 588 62.285 -9.201 8.210 383 HZ3 LYS 588 HZ3 LYS 588 63.470 -10.289 7.665 384 H GLU 589 HN GLU 589 62.253 -4.704 8.913 385 HA GLU 589 HA GLU 589 62.050 -1.747 8.715 386 HB2 GLU 589 HB2 GLU 589 59.743 -1.667 8.844 387 HB3 GLU 589 HB1 GLU 589 59.951 -3.127 7.877 388 HG2 GLU 589 HG2 GLU 589 59.974 -4.372 10.156 389 HG3 GLU 589 HG1 GLU 589 59.277 -2.889 10.807 390 H GLN 590 HN GLN 590 61.800 -0.688 10.678 391 HA GLN 590 HA GLN 590 61.692 -2.208 13.193 392 HB2 GLN 590 HB2 GLN 590 64.138 -2.120 12.421 393 HB3 GLN 590 HB1 GLN 590 64.043 -0.377 12.650 394 HG2 GLN 590 HG2 GLN 590 64.912 -1.227 14.693 395 HG3 GLN 590 HG1 GLN 590 63.218 -0.873 15.022 396 HE21 GLN 590 HE21 GLN 590 64.507 -3.685 13.215 397 HE22 GLN 590 HE22 GLN 590 63.923 -4.851 14.303 398 H ASN 591 HN ASN 591 61.108 -0.789 14.946 399 HA ASN 591 HA ASN 591 59.983 1.068 15.835 400 HB2 ASN 591 HB2 ASN 591 62.053 2.353 14.047 401 HB3 ASN 591 HB1 ASN 591 60.970 3.305 15.056 402 HD21 ASN 591 HD21 ASN 591 63.990 1.846 15.058 403 HD22 ASN 591 HD22 ASN 591 64.213 1.697 16.734 404 H ASP 592 HN ASP 592 59.130 -0.122 13.091 405 HA ASP 592 HA ASP 592 57.198 0.235 11.791 406 HB2 ASP 592 HB2 ASP 592 56.609 1.772 13.893 407 HB3 ASP 592 HB1 ASP 592 56.884 3.057 12.714 408 H LYS 593 HN LYS 593 59.946 0.926 10.961 409 HA LYS 593 HA LYS 593 59.181 2.641 8.674 410 HB2 LYS 593 HB2 LYS 593 61.777 3.517 9.243 411 HB3 LYS 593 HB1 LYS 593 60.291 4.436 9.463 412 HG2 LYS 593 HG2 LYS 593 60.117 3.298 11.762 413 HG3 LYS 593 HG1 LYS 593 61.789 2.806 11.513 414 HD2 LYS 593 HD2 LYS 593 62.257 4.812 12.491 415 HD3 LYS 593 HD1 LYS 593 61.962 5.442 10.871 416 HE2 LYS 593 HE2 LYS 593 60.606 6.777 12.293 417 HE3 LYS 593 HE1 LYS 593 59.491 5.616 11.571 418 HZ1 LYS 593 HZ1 LYS 593 60.806 5.240 14.205 419 HZ2 LYS 593 HZ2 LYS 593 59.582 4.276 13.524 420 HZ3 LYS 593 HZ3 LYS 593 59.244 5.870 14.007 421 HA PRO 594 HA PRO 594 61.491 -0.384 6.458 422 HB2 PRO 594 HB2 PRO 594 62.442 1.157 4.389 423 HB3 PRO 594 HB1 PRO 594 60.784 0.559 4.512 424 HG2 PRO 594 HG2 PRO 594 61.856 3.285 5.052 425 HG3 PRO 594 HG1 PRO 594 60.289 2.805 4.394 426 HD2 PRO 594 HD2 PRO 594 60.683 3.638 7.012 427 HD3 PRO 594 HD1 PRO 594 59.339 2.590 6.494 428 H TYR 595 HN TYR 595 63.563 -1.113 5.945 429 HA TYR 595 HA TYR 595 65.944 0.544 6.274 430 HB2 TYR 595 HB2 TYR 595 65.217 -1.586 8.318 431 HB3 TYR 595 HB1 TYR 595 66.848 -0.957 8.118 432 HD1 TYR 595 HD1 TYR 595 63.815 -0.553 9.864 433 HD2 TYR 595 HD2 TYR 595 67.023 1.698 8.115 434 HE1 TYR 595 HE1 TYR 595 63.250 1.378 11.308 435 HE2 TYR 595 HE2 TYR 595 66.452 3.631 9.563 436 HH TYR 595 HH TYR 595 64.459 4.488 10.778 437 H CYS 596 HN CYS 596 67.335 -0.325 4.735 438 HA CYS 596 HA CYS 596 66.774 -2.660 3.261 439 HB2 CYS 596 HB2 CYS 596 69.655 -2.053 3.715 440 HB3 CYS 596 HB1 CYS 596 68.792 -2.327 2.205 441 H GLN 597 HN GLN 597 67.403 -4.826 3.498 442 HA GLN 597 HA GLN 597 67.522 -5.942 6.067 443 HB2 GLN 597 HB2 GLN 597 67.185 -7.650 4.589 444 HB3 GLN 597 HB1 GLN 597 68.078 -6.823 3.318 445 HG2 GLN 597 HG2 GLN 597 69.226 -8.899 3.932 446 HG3 GLN 597 HG1 GLN 597 70.212 -7.513 4.382 447 HE21 GLN 597 HE21 GLN 597 67.467 -7.933 6.438 448 HE22 GLN 597 HE22 GLN 597 68.274 -8.679 7.730 449 H ASN 598 HN ASN 598 70.128 -4.787 3.989 450 HA ASN 598 HA ASN 598 72.307 -5.639 5.671 451 HB2 ASN 598 HB2 ASN 598 72.681 -4.977 3.333 452 HB3 ASN 598 HB1 ASN 598 72.122 -3.343 3.690 453 HD21 ASN 598 HD21 ASN 598 74.680 -5.698 4.613 454 HD22 ASN 598 HD22 ASN 598 75.830 -4.519 5.022 455 H CYS 599 HN CYS 599 70.305 -2.725 5.489 456 HA CYS 599 HA CYS 599 71.739 -1.244 7.520 457 HB2 CYS 599 HB2 CYS 599 69.039 -1.026 6.216 458 HB3 CYS 599 HB1 CYS 599 69.331 -0.130 7.702 459 H PHE 600 HN PHE 600 68.571 -2.936 7.633 460 HA PHE 600 HA PHE 600 68.150 -2.918 10.412 461 HB2 PHE 600 HB2 PHE 600 66.448 -3.821 8.980 462 HB3 PHE 600 HB1 PHE 600 67.552 -5.008 8.298 463 HD1 PHE 600 HD1 PHE 600 65.322 -4.209 11.076 464 HD2 PHE 600 HD2 PHE 600 68.315 -6.950 9.664 465 HE1 PHE 600 HE1 PHE 600 64.631 -5.856 12.797 466 HE2 PHE 600 HE2 PHE 600 67.625 -8.591 11.389 467 HZ PHE 600 HZ PHE 600 65.782 -8.045 12.954 468 H LEU 601 HN LEU 601 70.034 -5.184 8.453 469 HA LEU 601 HA LEU 601 70.951 -6.893 10.542 470 HB2 LEU 601 HB2 LEU 601 71.188 -7.448 8.171 471 HB3 LEU 601 HB1 LEU 601 72.229 -6.053 7.921 472 HG LEU 601 HG LEU 601 73.772 -7.112 9.696 473 HD11 LEU 601 HD11 LEU 601 72.032 -9.489 8.965 474 HD12 LEU 601 HD12 LEU 601 72.161 -8.751 10.561 475 HD13 LEU 601 HD13 LEU 601 73.548 -9.585 9.861 476 HD21 LEU 601 HD21 LEU 601 73.263 -8.187 6.925 477 HD22 LEU 601 HD22 LEU 601 74.597 -8.803 7.903 478 HD23 LEU 601 HD23 LEU 601 74.538 -7.095 7.466 479 H LYS 602 HN LYS 602 71.832 -3.704 9.512 480 HA LYS 602 HA LYS 602 74.313 -3.603 11.099 481 HB2 LYS 602 HB2 LYS 602 73.460 -2.324 8.812 482 HB3 LYS 602 HB1 LYS 602 73.193 -1.092 10.037 483 HG2 LYS 602 HG2 LYS 602 75.416 -0.743 9.319 484 HG3 LYS 602 HG1 LYS 602 75.573 -1.612 10.844 485 HD2 LYS 602 HD2 LYS 602 77.062 -2.725 9.360 486 HD3 LYS 602 HD1 LYS 602 75.636 -3.759 9.426 487 HE2 LYS 602 HE2 LYS 602 74.917 -3.129 7.292 488 HE3 LYS 602 HE1 LYS 602 75.823 -1.617 7.323 489 HZ1 LYS 602 HZ1 LYS 602 77.879 -3.001 7.311 490 HZ2 LYS 602 HZ2 LYS 602 76.956 -3.102 5.888 491 HZ3 LYS 602 HZ3 LYS 602 76.907 -4.362 7.027 492 H LEU 603 HN LEU 603 71.003 -2.320 11.192 493 HA LEU 603 HA LEU 603 71.531 -0.788 13.638 494 HB2 LEU 603 HB2 LEU 603 68.768 -1.368 12.610 495 HB3 LEU 603 HB1 LEU 603 69.376 0.080 13.397 496 HG LEU 603 HG LEU 603 69.954 -0.827 10.572 497 HD11 LEU 603 HD11 LEU 603 67.768 0.254 10.919 498 HD12 LEU 603 HD12 LEU 603 68.841 1.288 9.976 499 HD13 LEU 603 HD13 LEU 603 68.569 1.625 11.686 500 HD21 LEU 603 HD21 LEU 603 71.119 1.443 12.204 501 HD22 LEU 603 HD22 LEU 603 71.198 1.384 10.443 502 HD23 LEU 603 HD23 LEU 603 71.997 0.140 11.402 503 H PHE 604 HN PHE 604 69.333 -3.472 12.792 504 HA PHE 604 HA PHE 604 68.732 -4.081 15.549 505 HB2 PHE 604 HB2 PHE 604 67.397 -4.639 13.371 506 HB3 PHE 604 HB1 PHE 604 68.426 -6.069 13.315 507 HD1 PHE 604 HD1 PHE 604 66.110 -4.166 15.548 508 HD2 PHE 604 HD2 PHE 604 67.962 -7.944 14.678 509 HE1 PHE 604 HE1 PHE 604 64.684 -5.259 17.257 510 HE2 PHE 604 HE2 PHE 604 66.536 -9.036 16.388 511 HZ PHE 604 HZ PHE 604 64.897 -7.693 17.677 512 H CYS 605 HN CYS 605 71.324 -4.938 13.422 513 HA CYS 605 HA CYS 605 72.441 -6.669 15.565 514 HB2 CYS 605 HB2 CYS 605 71.213 -7.979 13.644 515 HB3 CYS 605 HB1 CYS 605 72.662 -7.600 12.714 516 HG CYS 605 HG CYS 605 73.982 -8.733 14.855 Start of MODEL 14 1 H TYR 541 HT1 TYR 541 38.526 -0.898 -15.173 2 HA TYR 541 HA TYR 541 38.676 -0.997 -17.740 3 HB2 TYR 541 HB2 TYR 541 36.716 1.240 -17.175 4 HB3 TYR 541 HB1 TYR 541 37.687 1.185 -18.647 5 HD1 TYR 541 HD1 TYR 541 37.396 -0.648 -20.286 6 HD2 TYR 541 HD2 TYR 541 34.891 -0.313 -16.810 7 HE1 TYR 541 HE1 TYR 541 35.780 -2.234 -21.297 8 HE2 TYR 541 HE2 TYR 541 33.276 -1.900 -17.823 9 HH TYR 541 HH TYR 541 32.960 -2.557 -20.786 10 H HIS 542 HN HIS 542 40.157 0.683 -18.660 11 HA HIS 542 HA HIS 542 42.086 1.969 -18.428 12 HB2 HIS 542 HB2 HIS 542 40.893 3.554 -16.212 13 HB3 HIS 542 HB1 HIS 542 41.657 4.088 -17.705 14 HD1 HIS 542 HD1 HIS 542 38.384 3.577 -16.177 15 HD2 HIS 542 HD2 HIS 542 39.879 3.732 -20.065 16 HE1 HIS 542 HE1 HIS 542 36.388 3.921 -17.699 17 H GLU 543 HN GLU 543 43.203 3.235 -16.173 18 HA GLU 543 HA GLU 543 43.428 1.247 -14.023 19 HB2 GLU 543 HB2 GLU 543 46.057 1.374 -14.457 20 HB3 GLU 543 HB1 GLU 543 45.058 0.160 -15.253 21 HG2 GLU 543 HG2 GLU 543 46.515 1.251 -16.895 22 HG3 GLU 543 HG1 GLU 543 44.829 1.653 -17.215 23 H ARG 544 HN ARG 544 42.570 3.972 -14.114 24 HA ARG 544 HA ARG 544 44.719 5.723 -13.240 25 HB2 ARG 544 HB2 ARG 544 41.756 5.896 -13.519 26 HB3 ARG 544 HB1 ARG 544 42.511 7.003 -12.379 27 HG2 ARG 544 HG2 ARG 544 42.421 8.078 -14.557 28 HG3 ARG 544 HG1 ARG 544 44.103 7.704 -14.180 29 HD2 ARG 544 HD2 ARG 544 44.279 6.304 -15.940 30 HD3 ARG 544 HD1 ARG 544 42.777 5.482 -15.517 31 HE ARG 544 HE ARG 544 41.928 7.882 -16.607 32 HH11 ARG 544 HH11 ARG 544 41.496 8.141 -18.803 33 HH12 ARG 544 HH12 ARG 544 42.272 7.107 -19.956 34 HH21 ARG 544 HH21 ARG 544 44.032 5.316 -17.570 35 HH22 ARG 544 HH22 ARG 544 43.704 5.512 -19.259 36 H ARG 545 HN ARG 545 43.542 3.091 -11.749 37 HA ARG 545 HA ARG 545 43.922 4.283 -9.032 38 HB2 ARG 545 HB2 ARG 545 42.127 1.918 -9.526 39 HB3 ARG 545 HB1 ARG 545 42.171 2.996 -8.130 40 HG2 ARG 545 HG2 ARG 545 41.566 4.842 -9.921 41 HG3 ARG 545 HG1 ARG 545 40.991 3.458 -10.842 42 HD2 ARG 545 HD2 ARG 545 39.126 3.356 -9.595 43 HD3 ARG 545 HD1 ARG 545 40.085 3.196 -8.127 44 HE ARG 545 HE ARG 545 38.582 5.478 -8.813 45 HH11 ARG 545 HH11 ARG 545 39.036 7.552 -8.104 46 HH12 ARG 545 HH12 ARG 545 40.619 7.934 -7.517 47 HH21 ARG 545 HH21 ARG 545 41.868 4.747 -8.008 48 HH22 ARG 545 HH22 ARG 545 42.217 6.352 -7.466 49 H GLY 546 HN GLY 546 43.689 1.656 -7.785 50 HA2 GLY 546 HA2 GLY 546 44.886 -0.548 -8.212 51 HA3 GLY 546 HA1 GLY 546 46.222 0.442 -8.793 52 H SER 547 HN SER 547 47.704 1.167 -7.311 53 HA SER 547 HA SER 547 46.978 1.081 -4.418 54 HB2 SER 547 HB2 SER 547 48.870 -0.652 -5.806 55 HB3 SER 547 HB1 SER 547 49.653 0.265 -4.524 56 HG SER 547 HG SER 547 47.206 -1.136 -4.200 57 H LEU 548 HN LEU 548 47.407 3.077 -3.612 58 HA LEU 548 HA LEU 548 49.035 4.986 -5.052 59 HB2 LEU 548 HB2 LEU 548 47.564 4.975 -2.442 60 HB3 LEU 548 HB1 LEU 548 48.762 6.230 -2.731 61 HG LEU 548 HG LEU 548 47.620 6.923 -4.766 62 HD11 LEU 548 HD11 LEU 548 45.340 5.835 -5.229 63 HD12 LEU 548 HD12 LEU 548 45.885 4.520 -4.188 64 HD13 LEU 548 HD13 LEU 548 46.769 4.900 -5.666 65 HD21 LEU 548 HD21 LEU 548 45.556 7.779 -3.786 66 HD22 LEU 548 HD22 LEU 548 46.828 7.811 -2.565 67 HD23 LEU 548 HD23 LEU 548 45.605 6.541 -2.530 68 H CYS 549 HN CYS 549 51.143 5.577 -4.685 69 HA CYS 549 HA CYS 549 52.815 3.786 -3.097 70 HB2 CYS 549 HB2 CYS 549 54.050 4.469 -4.914 71 HB3 CYS 549 HB1 CYS 549 53.230 6.023 -5.019 72 H SER 550 HN SER 550 52.798 4.073 -0.913 73 HA SER 550 HA SER 550 51.876 6.343 0.448 74 HB2 SER 550 HB2 SER 550 54.052 4.435 1.345 75 HB3 SER 550 HB1 SER 550 53.178 5.542 2.397 76 HG SER 550 HG SER 550 52.276 3.254 1.025 77 H GLY 551 HN GLY 551 52.595 8.341 0.173 78 HA2 GLY 551 HA2 GLY 551 54.517 9.899 0.745 79 HA3 GLY 551 HA1 GLY 551 55.526 8.812 -0.223 80 H CYS 552 HN CYS 552 53.356 8.312 -2.151 81 HA CYS 552 HA CYS 552 53.552 10.867 -3.693 82 HB2 CYS 552 HB2 CYS 552 53.516 7.975 -4.414 83 HB3 CYS 552 HB1 CYS 552 52.718 9.085 -5.527 84 H GLN 553 HN GLN 553 51.351 8.484 -2.366 85 HA GLN 553 HA GLN 553 49.019 8.437 -2.212 86 HB2 GLN 553 HB2 GLN 553 49.436 11.408 -2.681 87 HB3 GLN 553 HB1 GLN 553 47.879 10.689 -2.276 88 HG2 GLN 553 HG2 GLN 553 48.766 11.371 -0.189 89 HG3 GLN 553 HG1 GLN 553 49.086 9.641 -0.252 90 HE21 GLN 553 HE21 GLN 553 51.078 9.449 0.829 91 HE22 GLN 553 HE22 GLN 553 52.475 10.320 0.416 92 H LYS 554 HN LYS 554 50.404 8.045 -4.778 93 HA LYS 554 HA LYS 554 48.083 8.539 -6.586 94 HB2 LYS 554 HB2 LYS 554 51.028 8.922 -7.223 95 HB3 LYS 554 HB1 LYS 554 49.764 8.856 -8.450 96 HG2 LYS 554 HG2 LYS 554 49.774 10.829 -6.147 97 HG3 LYS 554 HG1 LYS 554 50.392 11.196 -7.756 98 HD2 LYS 554 HD2 LYS 554 48.047 10.354 -8.567 99 HD3 LYS 554 HD1 LYS 554 47.561 10.656 -6.899 100 HE2 LYS 554 HE2 LYS 554 48.351 12.982 -7.076 101 HE3 LYS 554 HE1 LYS 554 48.862 12.688 -8.738 102 HZ1 LYS 554 HZ1 LYS 554 46.703 13.728 -8.703 103 HZ2 LYS 554 HZ2 LYS 554 46.086 12.506 -7.697 104 HZ3 LYS 554 HZ3 LYS 554 46.556 12.143 -9.289 105 HA PRO 555 HA PRO 555 48.171 4.154 -7.096 106 HB2 PRO 555 HB2 PRO 555 47.862 4.587 -9.987 107 HB3 PRO 555 HB1 PRO 555 46.801 3.753 -8.846 108 HG2 PRO 555 HG2 PRO 555 46.341 6.276 -9.941 109 HG3 PRO 555 HG1 PRO 555 45.534 5.615 -8.516 110 HD2 PRO 555 HD2 PRO 555 47.460 7.796 -8.654 111 HD3 PRO 555 HD1 PRO 555 46.534 7.223 -7.244 112 H ILE 556 HN ILE 556 49.502 2.493 -7.872 113 HA ILE 556 HA ILE 556 52.102 3.406 -9.010 114 HB ILE 556 HB ILE 556 51.331 1.004 -7.329 115 HG12 ILE 556 HG12 ILE 556 53.374 3.108 -6.633 116 HG13 ILE 556 HG11 ILE 556 51.663 3.442 -6.384 117 HG21 ILE 556 HG21 ILE 556 53.901 0.701 -7.309 118 HG22 ILE 556 HG22 ILE 556 53.906 1.735 -8.737 119 HG23 ILE 556 HG23 ILE 556 53.043 0.198 -8.765 120 HD11 ILE 556 HD11 ILE 556 53.458 1.701 -4.858 121 HD12 ILE 556 HD12 ILE 556 51.956 0.900 -5.316 122 HD13 ILE 556 HD13 ILE 556 51.909 2.401 -4.391 123 H THR 557 HN THR 557 51.591 3.264 -11.225 124 HA THR 557 HA THR 557 50.308 0.868 -12.312 125 HB THR 557 HB THR 557 50.823 2.004 -14.526 126 HG1 THR 557 HG1 THR 557 52.551 3.245 -14.053 127 HG21 THR 557 HG21 THR 557 49.244 3.918 -14.067 128 HG22 THR 557 HG22 THR 557 49.342 3.511 -12.354 129 HG23 THR 557 HG23 THR 557 48.666 2.351 -13.499 130 H GLY 558 HN GLY 558 51.782 -0.794 -11.718 131 HA2 GLY 558 HA2 GLY 558 53.436 -2.022 -13.355 132 HA3 GLY 558 HA1 GLY 558 54.507 -0.690 -12.904 133 H ARG 559 HN ARG 559 55.983 -2.143 -11.826 134 HA ARG 559 HA ARG 559 55.253 -4.025 -9.827 135 HB2 ARG 559 HB2 ARG 559 57.716 -2.509 -10.543 136 HB3 ARG 559 HB1 ARG 559 57.651 -3.160 -8.906 137 HG2 ARG 559 HG2 ARG 559 56.755 -5.040 -10.995 138 HG3 ARG 559 HG1 ARG 559 58.455 -4.585 -11.109 139 HD2 ARG 559 HD2 ARG 559 58.244 -5.010 -8.432 140 HD3 ARG 559 HD1 ARG 559 57.050 -6.162 -9.020 141 HE ARG 559 HE ARG 559 59.826 -6.600 -9.051 142 HH11 ARG 559 HH11 ARG 559 60.896 -7.921 -10.511 143 HH12 ARG 559 HH12 ARG 559 60.130 -8.350 -12.003 144 HH21 ARG 559 HH21 ARG 559 57.236 -6.579 -11.348 145 HH22 ARG 559 HH22 ARG 559 58.070 -7.590 -12.475 146 H CYS 560 HN CYS 560 55.317 -3.765 -7.466 147 HA CYS 560 HA CYS 560 55.242 -1.019 -6.417 148 HB2 CYS 560 HB2 CYS 560 52.984 -1.113 -5.595 149 HB3 CYS 560 HB1 CYS 560 52.926 -1.503 -7.313 150 HG CYS 560 HG CYS 560 53.188 -4.066 -5.788 151 H ILE 561 HN ILE 561 55.877 -0.967 -4.329 152 HA ILE 561 HA ILE 561 56.529 -3.550 -3.037 153 HB ILE 561 HB ILE 561 57.120 -0.841 -1.861 154 HG12 ILE 561 HG12 ILE 561 57.788 -0.775 -4.271 155 HG13 ILE 561 HG11 ILE 561 59.173 -0.714 -3.189 156 HG21 ILE 561 HG21 ILE 561 57.854 -2.464 -0.389 157 HG22 ILE 561 HG22 ILE 561 59.292 -2.302 -1.397 158 HG23 ILE 561 HG23 ILE 561 58.171 -3.634 -1.670 159 HD11 ILE 561 HD11 ILE 561 59.540 -3.132 -3.502 160 HD12 ILE 561 HD12 ILE 561 59.567 -2.289 -5.050 161 HD13 ILE 561 HD13 ILE 561 58.141 -3.208 -4.573 162 H THR 562 HN THR 562 55.742 -4.092 -0.951 163 HA THR 562 HA THR 562 53.461 -2.429 0.041 164 HB THR 562 HB THR 562 53.610 -5.458 -0.083 165 HG1 THR 562 HG1 THR 562 53.092 -4.243 -2.035 166 HG21 THR 562 HG21 THR 562 51.112 -5.049 0.647 167 HG22 THR 562 HG22 THR 562 51.753 -3.529 1.272 168 HG23 THR 562 HG23 THR 562 52.391 -5.064 1.862 169 H ALA 563 HN ALA 563 54.342 -1.555 1.857 170 HA ALA 563 HA ALA 563 56.143 -3.169 3.551 171 HB1 ALA 563 HB1 ALA 563 55.175 -0.332 3.983 172 HB2 ALA 563 HB2 ALA 563 56.588 -0.743 3.011 173 HB3 ALA 563 HB3 ALA 563 56.569 -1.108 4.736 174 H MET 564 HN MET 564 54.812 -1.238 5.735 175 HA MET 564 HA MET 564 53.235 -3.344 6.958 176 HB2 MET 564 HB2 MET 564 53.500 -0.403 7.643 177 HB3 MET 564 HB1 MET 564 52.743 -1.614 8.674 178 HG2 MET 564 HG2 MET 564 54.880 -2.865 8.766 179 HG3 MET 564 HG1 MET 564 55.636 -1.633 7.756 180 HE1 MET 564 HE1 MET 564 53.834 -2.654 10.666 181 HE2 MET 564 HE2 MET 564 53.761 -1.318 11.812 182 HE3 MET 564 HE3 MET 564 55.171 -2.374 11.791 183 H ALA 565 HN ALA 565 52.025 -3.274 4.706 184 HA ALA 565 HA ALA 565 49.852 -3.123 3.799 185 HB1 ALA 565 HB1 ALA 565 49.263 -2.679 6.376 186 HB2 ALA 565 HB2 ALA 565 48.079 -2.409 5.099 187 HB3 ALA 565 HB3 ALA 565 48.978 -1.048 5.768 188 H LYS 566 HN LYS 566 52.037 -0.631 4.434 189 HA LYS 566 HA LYS 566 50.679 1.385 2.757 190 HB2 LYS 566 HB2 LYS 566 53.023 1.299 4.571 191 HB3 LYS 566 HB1 LYS 566 53.192 2.360 3.174 192 HG2 LYS 566 HG2 LYS 566 50.993 3.406 3.764 193 HG3 LYS 566 HG1 LYS 566 50.958 2.419 5.225 194 HD2 LYS 566 HD2 LYS 566 53.315 4.197 4.591 195 HD3 LYS 566 HD1 LYS 566 51.897 4.818 5.435 196 HE2 LYS 566 HE2 LYS 566 52.420 3.737 7.363 197 HE3 LYS 566 HE1 LYS 566 52.899 2.267 6.514 198 HZ1 LYS 566 HZ1 LYS 566 54.972 3.408 5.882 199 HZ2 LYS 566 HZ2 LYS 566 54.807 3.230 7.564 200 HZ3 LYS 566 HZ3 LYS 566 54.516 4.737 6.834 201 H LYS 567 HN LYS 567 51.140 1.662 0.598 202 HA LYS 567 HA LYS 567 53.070 -0.221 -0.615 203 HB2 LYS 567 HB2 LYS 567 50.816 1.469 -1.663 204 HB3 LYS 567 HB1 LYS 567 52.035 0.838 -2.769 205 HG2 LYS 567 HG2 LYS 567 50.054 -0.674 -2.532 206 HG3 LYS 567 HG1 LYS 567 51.572 -1.440 -2.060 207 HD2 LYS 567 HD2 LYS 567 51.082 -1.271 0.246 208 HD3 LYS 567 HD1 LYS 567 49.838 -0.047 -0.020 209 HE2 LYS 567 HE2 LYS 567 48.275 -1.601 -0.784 210 HE3 LYS 567 HE1 LYS 567 49.514 -2.767 -1.244 211 HZ1 LYS 567 HZ1 LYS 567 49.056 -1.992 1.574 212 HZ2 LYS 567 HZ2 LYS 567 49.891 -3.346 0.976 213 HZ3 LYS 567 HZ3 LYS 567 48.200 -3.262 0.843 214 H PHE 568 HN PHE 568 54.375 0.720 -2.492 215 HA PHE 568 HA PHE 568 55.142 3.557 -2.247 216 HB2 PHE 568 HB2 PHE 568 56.982 1.284 -1.428 217 HB3 PHE 568 HB1 PHE 568 57.582 2.873 -1.883 218 HD1 PHE 568 HD1 PHE 568 57.133 4.843 -0.466 219 HD2 PHE 568 HD2 PHE 568 55.804 0.916 0.663 220 HE1 PHE 568 HE1 PHE 568 56.758 5.634 1.854 221 HE2 PHE 568 HE2 PHE 568 55.424 1.710 2.979 222 HZ PHE 568 HZ PHE 568 55.902 4.069 3.576 223 H HIS 569 HN HIS 569 55.985 4.238 -4.238 224 HA HIS 569 HA HIS 569 55.892 2.512 -6.511 225 HB2 HIS 569 HB2 HIS 569 57.266 5.144 -5.961 226 HB3 HIS 569 HB1 HIS 569 57.578 4.289 -7.467 227 HD2 HIS 569 HD2 HIS 569 54.900 3.625 -8.811 228 HE1 HIS 569 HE1 HIS 569 53.260 7.238 -7.364 229 HE2 HIS 569 HE2 HIS 569 52.957 5.344 -9.038 230 HA PRO 570 HA PRO 570 59.411 -0.090 -5.688 231 HB2 PRO 570 HB2 PRO 570 59.933 0.091 -8.598 232 HB3 PRO 570 HB1 PRO 570 59.637 -1.331 -7.591 233 HG2 PRO 570 HG2 PRO 570 57.785 -0.298 -9.333 234 HG3 PRO 570 HG1 PRO 570 57.375 -1.244 -7.901 235 HD2 PRO 570 HD2 PRO 570 56.986 1.638 -8.392 236 HD3 PRO 570 HD1 PRO 570 56.231 0.592 -7.163 237 H GLU 571 HN GLU 571 59.585 3.031 -7.014 238 HA GLU 571 HA GLU 571 62.564 3.084 -6.769 239 HB2 GLU 571 HB2 GLU 571 62.460 5.110 -8.194 240 HB3 GLU 571 HB1 GLU 571 61.758 3.710 -9.007 241 HG2 GLU 571 HG2 GLU 571 59.508 4.443 -8.423 242 HG3 GLU 571 HG1 GLU 571 60.154 5.783 -7.482 243 H HIS 572 HN HIS 572 59.615 4.135 -5.363 244 HA HIS 572 HA HIS 572 60.962 6.401 -3.977 245 HB2 HIS 572 HB2 HIS 572 58.037 5.601 -4.105 246 HB3 HIS 572 HB1 HIS 572 58.658 6.957 -3.165 247 HD2 HIS 572 HD2 HIS 572 60.895 7.576 -5.816 248 HE1 HIS 572 HE1 HIS 572 57.314 8.862 -7.632 249 HE2 HIS 572 HE2 HIS 572 59.849 8.933 -7.768 250 H PHE 573 HN PHE 573 60.169 3.137 -3.538 251 HA PHE 573 HA PHE 573 59.792 3.203 -0.649 252 HB2 PHE 573 HB2 PHE 573 58.974 1.315 -2.077 253 HB3 PHE 573 HB1 PHE 573 60.646 0.912 -2.449 254 HD1 PHE 573 HD1 PHE 573 58.759 1.813 0.679 255 HD2 PHE 573 HD2 PHE 573 61.414 -0.942 -1.271 256 HE1 PHE 573 HE1 PHE 573 58.905 0.479 2.763 257 HE2 PHE 573 HE2 PHE 573 61.561 -2.275 0.814 258 HZ PHE 573 HZ PHE 573 60.306 -1.565 2.830 259 H VAL 574 HN VAL 574 61.577 4.450 0.062 260 HA VAL 574 HA VAL 574 64.268 3.267 -0.440 261 HB VAL 574 HB VAL 574 65.170 5.455 0.230 262 HG11 VAL 574 HG11 VAL 574 63.012 6.248 -1.660 263 HG12 VAL 574 HG12 VAL 574 63.994 4.861 -2.131 264 HG13 VAL 574 HG13 VAL 574 64.760 6.417 -1.813 265 HG21 VAL 574 HG21 VAL 574 63.495 6.125 1.866 266 HG22 VAL 574 HG22 VAL 574 62.239 6.147 0.627 267 HG23 VAL 574 HG23 VAL 574 63.539 7.338 0.587 268 H CYS 575 HN CYS 575 65.815 3.655 1.470 269 HA CYS 575 HA CYS 575 64.712 2.297 3.804 270 HB2 CYS 575 HB2 CYS 575 66.938 1.714 3.138 271 HB3 CYS 575 HB1 CYS 575 67.443 3.399 3.112 272 H ALA 576 HN ALA 576 64.024 3.256 5.672 273 HA ALA 576 HA ALA 576 63.861 6.154 5.842 274 HB1 ALA 576 HB1 ALA 576 63.237 3.936 7.809 275 HB2 ALA 576 HB2 ALA 576 62.094 4.888 6.863 276 HB3 ALA 576 HB3 ALA 576 62.990 5.642 8.179 277 H PHE 577 HN PHE 577 66.545 5.392 5.551 278 HA PHE 577 HA PHE 577 67.707 6.520 8.030 279 HB2 PHE 577 HB2 PHE 577 67.785 3.898 7.978 280 HB3 PHE 577 HB1 PHE 577 69.036 4.130 6.760 281 HD1 PHE 577 HD1 PHE 577 68.068 5.472 10.140 282 HD2 PHE 577 HD2 PHE 577 71.240 4.295 7.490 283 HE1 PHE 577 HE1 PHE 577 69.728 5.921 11.926 284 HE2 PHE 577 HE2 PHE 577 72.898 4.747 9.277 285 HZ PHE 577 HZ PHE 577 72.142 5.560 11.495 286 H CYS 578 HN CYS 578 68.753 5.011 4.973 287 HA CYS 578 HA CYS 578 70.531 7.345 4.477 288 HB2 CYS 578 HB2 CYS 578 71.282 5.827 2.522 289 HB3 CYS 578 HB1 CYS 578 71.705 5.310 4.152 290 H LEU 579 HN LEU 579 67.540 5.953 3.515 291 HA LEU 579 HA LEU 579 65.969 6.531 1.886 292 HB2 LEU 579 HB2 LEU 579 67.432 9.185 2.048 293 HB3 LEU 579 HB1 LEU 579 65.830 8.937 1.355 294 HG LEU 579 HG LEU 579 65.558 7.764 3.830 295 HD11 LEU 579 HD11 LEU 579 67.843 8.678 4.409 296 HD12 LEU 579 HD12 LEU 579 66.550 9.211 5.482 297 HD13 LEU 579 HD13 LEU 579 67.168 10.298 4.238 298 HD21 LEU 579 HD21 LEU 579 65.049 10.647 3.023 299 HD22 LEU 579 HD22 LEU 579 64.317 9.849 4.416 300 HD23 LEU 579 HD23 LEU 579 63.951 9.287 2.785 301 H LYS 580 HN LYS 580 68.812 5.639 1.054 302 HA LYS 580 HA LYS 580 69.303 6.928 -1.498 303 HB2 LYS 580 HB2 LYS 580 70.875 5.066 -1.881 304 HB3 LYS 580 HB1 LYS 580 71.082 5.727 -0.260 305 HG2 LYS 580 HG2 LYS 580 69.405 3.884 0.479 306 HG3 LYS 580 HG1 LYS 580 69.763 3.140 -1.078 307 HD2 LYS 580 HD2 LYS 580 72.257 3.879 0.059 308 HD3 LYS 580 HD1 LYS 580 71.326 3.093 1.334 309 HE2 LYS 580 HE2 LYS 580 72.542 1.378 0.132 310 HE3 LYS 580 HE1 LYS 580 70.831 1.222 -0.266 311 HZ1 LYS 580 HZ1 LYS 580 71.197 1.772 -2.386 312 HZ2 LYS 580 HZ2 LYS 580 72.827 1.410 -2.068 313 HZ3 LYS 580 HZ3 LYS 580 72.279 3.017 -1.992 314 H GLN 581 HN GLN 581 67.953 3.751 -0.602 315 HA GLN 581 HA GLN 581 65.809 3.783 -2.447 316 HB2 GLN 581 HB2 GLN 581 68.238 3.383 -3.781 317 HB3 GLN 581 HB1 GLN 581 67.600 1.757 -3.568 318 HG2 GLN 581 HG2 GLN 581 65.467 3.534 -4.354 319 HG3 GLN 581 HG1 GLN 581 66.805 3.678 -5.493 320 HE21 GLN 581 HE21 GLN 581 64.378 1.475 -4.200 321 HE22 GLN 581 HE22 GLN 581 64.631 0.238 -5.332 322 H LEU 582 HN LEU 582 64.757 1.573 -2.475 323 HA LEU 582 HA LEU 582 65.931 -0.428 -0.693 324 HB2 LEU 582 HB2 LEU 582 64.731 1.487 0.673 325 HB3 LEU 582 HB1 LEU 582 63.270 0.619 0.211 326 HG LEU 582 HG LEU 582 64.361 -1.479 1.087 327 HD11 LEU 582 HD11 LEU 582 66.564 -1.356 1.526 328 HD12 LEU 582 HD12 LEU 582 66.149 -0.388 2.939 329 HD13 LEU 582 HD13 LEU 582 66.547 0.404 1.418 330 HD21 LEU 582 HD21 LEU 582 63.490 0.868 2.690 331 HD22 LEU 582 HD22 LEU 582 64.253 -0.448 3.581 332 HD23 LEU 582 HD23 LEU 582 62.809 -0.756 2.617 333 H ASN 583 HN ASN 583 64.663 -2.389 -0.593 334 HA ASN 583 HA ASN 583 62.385 -2.606 -2.475 335 HB2 ASN 583 HB2 ASN 583 64.133 -3.154 -3.981 336 HB3 ASN 583 HB1 ASN 583 65.038 -4.027 -2.746 337 HD21 ASN 583 HD21 ASN 583 61.682 -4.208 -4.094 338 HD22 ASN 583 HD22 ASN 583 61.695 -5.896 -4.272 339 H LYS 584 HN LYS 584 60.847 -3.763 -1.447 340 HA LYS 584 HA LYS 584 61.043 -4.911 1.094 341 HB2 LYS 584 HB2 LYS 584 58.870 -4.548 0.194 342 HB3 LYS 584 HB1 LYS 584 59.219 -5.507 -1.241 343 HG2 LYS 584 HG2 LYS 584 57.793 -6.804 0.245 344 HG3 LYS 584 HG1 LYS 584 59.393 -7.539 0.208 345 HD2 LYS 584 HD2 LYS 584 58.520 -7.391 2.520 346 HD3 LYS 584 HD1 LYS 584 59.974 -6.416 2.318 347 HE2 LYS 584 HE2 LYS 584 58.852 -4.445 2.609 348 HE3 LYS 584 HE1 LYS 584 57.425 -5.016 1.746 349 HZ1 LYS 584 HZ1 LYS 584 57.890 -4.930 4.527 350 HZ2 LYS 584 HZ2 LYS 584 57.630 -6.541 4.052 351 HZ3 LYS 584 HZ3 LYS 584 56.471 -5.350 3.699 352 H GLY 585 HN GLY 585 61.861 -6.319 -2.015 353 HA2 GLY 585 HA2 GLY 585 61.982 -9.054 -1.316 354 HA3 GLY 585 HA1 GLY 585 62.965 -8.304 -2.565 355 H THR 586 HN THR 586 64.218 -6.447 -0.516 356 HA THR 586 HA THR 586 65.741 -8.406 1.123 357 HB THR 586 HB THR 586 67.899 -7.536 0.300 358 HG1 THR 586 HG1 THR 586 66.303 -6.172 -1.607 359 HG21 THR 586 HG21 THR 586 67.847 -8.590 -1.912 360 HG22 THR 586 HG22 THR 586 66.088 -8.468 -1.949 361 HG23 THR 586 HG23 THR 586 66.875 -9.526 -0.777 362 H PHE 587 HN PHE 587 63.878 -6.206 1.810 363 HA PHE 587 HA PHE 587 65.775 -4.279 3.072 364 HB2 PHE 587 HB2 PHE 587 64.154 -2.686 2.959 365 HB3 PHE 587 HB1 PHE 587 63.443 -3.733 1.746 366 HD1 PHE 587 HD1 PHE 587 62.155 -5.878 3.030 367 HD2 PHE 587 HD2 PHE 587 62.599 -1.854 4.472 368 HE1 PHE 587 HE1 PHE 587 60.166 -6.175 4.480 369 HE2 PHE 587 HE2 PHE 587 60.608 -2.154 5.917 370 HZ PHE 587 HZ PHE 587 59.393 -4.314 5.923 371 H LYS 588 HN LYS 588 64.780 -3.498 5.262 372 HA LYS 588 HA LYS 588 63.723 -5.722 6.904 373 HB2 LYS 588 HB2 LYS 588 66.382 -4.337 7.280 374 HB3 LYS 588 HB1 LYS 588 65.515 -4.996 8.663 375 HG2 LYS 588 HG2 LYS 588 66.152 -6.638 6.198 376 HG3 LYS 588 HG1 LYS 588 67.227 -6.549 7.591 377 HD2 LYS 588 HD2 LYS 588 66.020 -8.178 8.565 378 HD3 LYS 588 HD1 LYS 588 64.665 -7.055 8.658 379 HE2 LYS 588 HE2 LYS 588 63.829 -7.773 6.513 380 HE3 LYS 588 HE1 LYS 588 65.276 -8.734 6.211 381 HZ1 LYS 588 HZ1 LYS 588 64.699 -10.240 7.898 382 HZ2 LYS 588 HZ2 LYS 588 63.263 -9.977 7.028 383 HZ3 LYS 588 HZ3 LYS 588 63.501 -9.219 8.530 384 H GLU 589 HN GLU 589 63.050 -4.746 9.115 385 HA GLU 589 HA GLU 589 62.601 -1.817 8.878 386 HB2 GLU 589 HB2 GLU 589 60.308 -1.930 9.106 387 HB3 GLU 589 HB1 GLU 589 60.591 -3.407 8.185 388 HG2 GLU 589 HG2 GLU 589 60.802 -4.574 10.476 389 HG3 GLU 589 HG1 GLU 589 60.077 -3.114 11.146 390 H GLN 590 HN GLN 590 62.351 -0.735 10.833 391 HA GLN 590 HA GLN 590 62.514 -2.202 13.375 392 HB2 GLN 590 HB2 GLN 590 64.898 -1.902 12.452 393 HB3 GLN 590 HB1 GLN 590 64.655 -0.175 12.689 394 HG2 GLN 590 HG2 GLN 590 65.713 -0.939 14.678 395 HG3 GLN 590 HG1 GLN 590 64.016 -0.735 15.103 396 HE21 GLN 590 HE21 GLN 590 65.415 -3.434 13.211 397 HE22 GLN 590 HE22 GLN 590 65.011 -4.640 14.335 398 H ASN 591 HN ASN 591 61.863 -0.830 15.121 399 HA ASN 591 HA ASN 591 60.635 0.933 16.053 400 HB2 ASN 591 HB2 ASN 591 62.511 2.367 14.170 401 HB3 ASN 591 HB1 ASN 591 61.387 3.240 15.206 402 HD21 ASN 591 HD21 ASN 591 64.521 2.061 15.116 403 HD22 ASN 591 HD22 ASN 591 64.815 1.951 16.784 404 H ASP 592 HN ASP 592 59.750 -0.356 13.374 405 HA ASP 592 HA ASP 592 57.716 -0.185 12.191 406 HB2 ASP 592 HB2 ASP 592 57.190 1.434 14.288 407 HB3 ASP 592 HB1 ASP 592 57.195 2.630 12.990 408 H LYS 593 HN LYS 593 60.377 0.733 11.202 409 HA LYS 593 HA LYS 593 59.327 2.265 8.898 410 HB2 LYS 593 HB2 LYS 593 61.879 3.384 9.353 411 HB3 LYS 593 HB1 LYS 593 60.319 4.189 9.487 412 HG2 LYS 593 HG2 LYS 593 60.204 3.240 11.868 413 HG3 LYS 593 HG1 LYS 593 61.914 2.856 11.676 414 HD2 LYS 593 HD2 LYS 593 62.391 5.223 11.165 415 HD3 LYS 593 HD1 LYS 593 60.682 5.609 11.367 416 HE2 LYS 593 HE2 LYS 593 60.832 4.712 13.715 417 HE3 LYS 593 HE1 LYS 593 62.575 4.560 13.488 418 HZ1 LYS 593 HZ1 LYS 593 62.618 6.953 12.943 419 HZ2 LYS 593 HZ2 LYS 593 62.109 6.641 14.534 420 HZ3 LYS 593 HZ3 LYS 593 60.972 7.053 13.341 421 HA PRO 594 HA PRO 594 61.850 -0.550 6.637 422 HB2 PRO 594 HB2 PRO 594 62.576 1.025 4.508 423 HB3 PRO 594 HB1 PRO 594 60.981 0.293 4.711 424 HG2 PRO 594 HG2 PRO 594 61.839 3.110 5.160 425 HG3 PRO 594 HG1 PRO 594 60.294 2.487 4.575 426 HD2 PRO 594 HD2 PRO 594 60.726 3.400 7.164 427 HD3 PRO 594 HD1 PRO 594 59.447 2.244 6.714 428 H TYR 595 HN TYR 595 63.955 -1.105 6.077 429 HA TYR 595 HA TYR 595 66.189 0.767 6.272 430 HB2 TYR 595 HB2 TYR 595 65.735 -1.368 8.387 431 HB3 TYR 595 HB1 TYR 595 67.294 -0.600 8.109 432 HD1 TYR 595 HD1 TYR 595 67.428 1.958 8.272 433 HD2 TYR 595 HD2 TYR 595 64.099 -0.325 9.729 434 HE1 TYR 595 HE1 TYR 595 66.735 3.871 9.692 435 HE2 TYR 595 HE2 TYR 595 63.411 1.587 11.143 436 HH TYR 595 HH TYR 595 64.601 4.699 10.741 437 H CYS 596 HN CYS 596 67.595 -0.005 4.703 438 HA CYS 596 HA CYS 596 67.197 -2.406 3.286 439 HB2 CYS 596 HB2 CYS 596 70.026 -1.547 3.628 440 HB3 CYS 596 HB1 CYS 596 69.137 -1.910 2.153 441 H GLN 597 HN GLN 597 68.020 -4.504 3.530 442 HA GLN 597 HA GLN 597 68.330 -5.560 6.109 443 HB2 GLN 597 HB2 GLN 597 68.083 -7.317 4.674 444 HB3 GLN 597 HB1 GLN 597 68.847 -6.441 3.354 445 HG2 GLN 597 HG2 GLN 597 70.195 -8.399 3.947 446 HG3 GLN 597 HG1 GLN 597 71.076 -6.926 4.338 447 HE21 GLN 597 HE21 GLN 597 68.460 -7.549 6.508 448 HE22 GLN 597 HE22 GLN 597 69.379 -8.200 7.777 449 H ASN 598 HN ASN 598 70.741 -4.214 3.916 450 HA ASN 598 HA ASN 598 73.049 -4.851 5.514 451 HB2 ASN 598 HB2 ASN 598 74.224 -3.706 3.917 452 HB3 ASN 598 HB1 ASN 598 72.720 -3.841 3.014 453 HD21 ASN 598 HD21 ASN 598 74.329 -1.651 5.377 454 HD22 ASN 598 HD22 ASN 598 73.685 -0.222 4.721 455 H CYS 599 HN CYS 599 70.809 -2.122 5.390 456 HA CYS 599 HA CYS 599 72.177 -0.507 7.358 457 HB2 CYS 599 HB2 CYS 599 69.417 -0.544 6.167 458 HB3 CYS 599 HB1 CYS 599 69.691 0.391 7.632 459 H PHE 600 HN PHE 600 69.175 -2.464 7.613 460 HA PHE 600 HA PHE 600 68.867 -2.460 10.405 461 HB2 PHE 600 HB2 PHE 600 67.193 -3.518 9.052 462 HB3 PHE 600 HB1 PHE 600 68.365 -4.610 8.327 463 HD1 PHE 600 HD1 PHE 600 66.182 -3.995 11.184 464 HD2 PHE 600 HD2 PHE 600 69.361 -6.462 9.677 465 HE1 PHE 600 HE1 PHE 600 65.709 -5.683 12.939 466 HE2 PHE 600 HE2 PHE 600 68.890 -8.144 11.436 467 HZ PHE 600 HZ PHE 600 67.062 -7.755 13.065 468 H LEU 601 HN LEU 601 70.849 -4.590 8.388 469 HA LEU 601 HA LEU 601 71.992 -6.191 10.447 470 HB2 LEU 601 HB2 LEU 601 72.185 -6.739 8.070 471 HB3 LEU 601 HB1 LEU 601 73.097 -5.264 7.777 472 HG LEU 601 HG LEU 601 74.782 -6.186 9.507 473 HD11 LEU 601 HD11 LEU 601 73.233 -8.702 8.814 474 HD12 LEU 601 HD12 LEU 601 73.338 -7.958 10.409 475 HD13 LEU 601 HD13 LEU 601 74.774 -8.666 9.671 476 HD21 LEU 601 HD21 LEU 601 74.279 -7.279 6.744 477 HD22 LEU 601 HD22 LEU 601 75.682 -7.805 7.677 478 HD23 LEU 601 HD23 LEU 601 75.485 -6.102 7.262 479 H LYS 602 HN LYS 602 72.558 -2.947 9.371 480 HA LYS 602 HA LYS 602 75.081 -2.626 10.862 481 HB2 LYS 602 HB2 LYS 602 74.044 -1.443 8.600 482 HB3 LYS 602 HB1 LYS 602 73.716 -0.227 9.826 483 HG2 LYS 602 HG2 LYS 602 75.875 0.299 9.021 484 HG3 LYS 602 HG1 LYS 602 76.156 -0.530 10.552 485 HD2 LYS 602 HD2 LYS 602 77.684 -1.545 9.044 486 HD3 LYS 602 HD1 LYS 602 76.344 -2.687 9.146 487 HE2 LYS 602 HE2 LYS 602 75.546 -2.150 7.023 488 HE3 LYS 602 HE1 LYS 602 76.290 -0.551 7.035 489 HZ1 LYS 602 HZ1 LYS 602 77.535 -1.929 5.577 490 HZ2 LYS 602 HZ2 LYS 602 77.657 -3.167 6.734 491 HZ3 LYS 602 HZ3 LYS 602 78.477 -1.697 6.969 492 H LEU 603 HN LEU 603 71.683 -1.604 11.066 493 HA LEU 603 HA LEU 603 72.173 -0.016 13.482 494 HB2 LEU 603 HB2 LEU 603 69.431 -0.835 12.571 495 HB3 LEU 603 HB1 LEU 603 69.947 0.669 13.316 496 HG LEU 603 HG LEU 603 70.493 -0.227 10.481 497 HD11 LEU 603 HD11 LEU 603 69.194 1.818 9.930 498 HD12 LEU 603 HD12 LEU 603 68.900 2.067 11.651 499 HD13 LEU 603 HD13 LEU 603 68.241 0.646 10.841 500 HD21 LEU 603 HD21 LEU 603 71.515 2.152 12.049 501 HD22 LEU 603 HD22 LEU 603 71.511 2.099 10.286 502 HD23 LEU 603 HD23 LEU 603 72.468 0.934 11.200 503 H PHE 604 HN PHE 604 70.212 -2.902 12.730 504 HA PHE 604 HA PHE 604 69.756 -3.524 15.518 505 HB2 PHE 604 HB2 PHE 604 68.391 -4.206 13.389 506 HB3 PHE 604 HB1 PHE 604 69.526 -5.553 13.313 507 HD1 PHE 604 HD1 PHE 604 67.123 -3.812 15.582 508 HD2 PHE 604 HD2 PHE 604 69.280 -7.430 14.736 509 HE1 PHE 604 HE1 PHE 604 65.846 -4.987 17.352 510 HE2 PHE 604 HE2 PHE 604 68.002 -8.605 16.506 511 HZ PHE 604 HZ PHE 604 66.286 -7.384 17.814 512 H CYS 605 HN CYS 605 72.328 -4.176 13.300 513 HA CYS 605 HA CYS 605 73.669 -5.789 15.404 514 HB2 CYS 605 HB2 CYS 605 72.454 -7.204 13.530 515 HB3 CYS 605 HB1 CYS 605 73.862 -6.757 12.569 516 HG CYS 605 HG CYS 605 75.369 -7.857 14.470 Start of MODEL 15 1 H TYR 541 HT1 TYR 541 35.683 3.415 -12.978 2 HA TYR 541 HA TYR 541 38.135 2.953 -12.903 3 HB2 TYR 541 HB2 TYR 541 36.709 2.833 -15.582 4 HB3 TYR 541 HB1 TYR 541 38.106 1.860 -15.122 5 HD1 TYR 541 HD1 TYR 541 37.916 0.150 -13.326 6 HD2 TYR 541 HD2 TYR 541 34.499 2.334 -14.746 7 HE1 TYR 541 HE1 TYR 541 36.412 -1.505 -12.256 8 HE2 TYR 541 HE2 TYR 541 32.996 0.678 -13.675 9 HH TYR 541 HH TYR 541 33.553 -2.109 -12.955 10 H HIS 542 HN HIS 542 39.320 4.986 -12.631 11 HA HIS 542 HA HIS 542 40.803 5.725 -15.008 12 HB2 HIS 542 HB2 HIS 542 40.158 8.097 -15.077 13 HB3 HIS 542 HB1 HIS 542 38.756 7.073 -15.364 14 HD1 HIS 542 HD1 HIS 542 37.648 6.365 -12.764 15 HD2 HIS 542 HD2 HIS 542 39.406 10.098 -13.346 16 HE1 HIS 542 HE1 HIS 542 36.732 7.878 -10.951 17 H GLU 543 HN GLU 543 39.848 6.912 -11.798 18 HA GLU 543 HA GLU 543 42.363 8.147 -11.188 19 HB2 GLU 543 HB2 GLU 543 39.972 7.279 -9.614 20 HB3 GLU 543 HB1 GLU 543 41.458 7.635 -8.732 21 HG2 GLU 543 HG2 GLU 543 41.541 9.870 -9.585 22 HG3 GLU 543 HG1 GLU 543 40.281 9.534 -10.772 23 H ARG 544 HN ARG 544 41.046 5.167 -9.703 24 HA ARG 544 HA ARG 544 43.706 4.290 -8.919 25 HB2 ARG 544 HB2 ARG 544 41.722 3.684 -7.587 26 HB3 ARG 544 HB1 ARG 544 41.073 2.782 -8.953 27 HG2 ARG 544 HG2 ARG 544 42.118 1.036 -7.875 28 HG3 ARG 544 HG1 ARG 544 43.487 1.611 -8.818 29 HD2 ARG 544 HD2 ARG 544 44.612 2.201 -6.967 30 HD3 ARG 544 HD1 ARG 544 43.248 3.136 -6.364 31 HE ARG 544 HE ARG 544 44.091 0.657 -5.309 32 HH11 ARG 544 HH11 ARG 544 42.753 -0.778 -4.229 33 HH12 ARG 544 HH12 ARG 544 41.036 -0.656 -4.413 34 HH21 ARG 544 HH21 ARG 544 41.184 2.052 -6.563 35 HH22 ARG 544 HH22 ARG 544 40.151 0.940 -5.732 36 H ARG 545 HN ARG 545 45.113 3.529 -10.397 37 HA ARG 545 HA ARG 545 44.056 1.918 -12.687 38 HB2 ARG 545 HB2 ARG 545 46.738 3.311 -12.585 39 HB3 ARG 545 HB1 ARG 545 45.883 2.696 -14.001 40 HG2 ARG 545 HG2 ARG 545 44.016 4.367 -13.364 41 HG3 ARG 545 HG1 ARG 545 45.225 5.117 -12.323 42 HD2 ARG 545 HD2 ARG 545 46.698 5.492 -14.221 43 HD3 ARG 545 HD1 ARG 545 45.599 4.615 -15.286 44 HE ARG 545 HE ARG 545 44.026 6.636 -14.215 45 HH11 ARG 545 HH11 ARG 545 43.803 8.655 -15.188 46 HH12 ARG 545 HH12 ARG 545 45.046 9.239 -16.242 47 HH21 ARG 545 HH21 ARG 545 47.043 6.433 -15.884 48 HH22 ARG 545 HH22 ARG 545 46.877 7.984 -16.635 49 H GLY 546 HN GLY 546 45.464 1.565 -9.748 50 HA2 GLY 546 HA2 GLY 546 46.136 -1.133 -9.973 51 HA3 GLY 546 HA1 GLY 546 47.627 -0.263 -10.338 52 H SER 547 HN SER 547 48.885 0.168 -8.610 53 HA SER 547 HA SER 547 47.587 0.374 -5.916 54 HB2 SER 547 HB2 SER 547 49.728 -1.327 -6.878 55 HB3 SER 547 HB1 SER 547 50.301 -0.301 -5.567 56 HG SER 547 HG SER 547 47.918 -1.852 -5.516 57 H LEU 548 HN LEU 548 47.873 2.360 -4.989 58 HA LEU 548 HA LEU 548 49.519 4.365 -6.260 59 HB2 LEU 548 HB2 LEU 548 47.851 4.254 -3.772 60 HB3 LEU 548 HB1 LEU 548 48.995 5.574 -3.970 61 HG LEU 548 HG LEU 548 47.976 6.216 -6.083 62 HD11 LEU 548 HD11 LEU 548 46.329 3.721 -5.646 63 HD12 LEU 548 HD12 LEU 548 47.316 4.147 -7.044 64 HD13 LEU 548 HD13 LEU 548 45.810 5.008 -6.735 65 HD21 LEU 548 HD21 LEU 548 45.789 6.939 -5.264 66 HD22 LEU 548 HD22 LEU 548 46.967 7.052 -3.957 67 HD23 LEU 548 HD23 LEU 548 45.826 5.707 -4.002 68 H CYS 549 HN CYS 549 51.559 5.039 -5.739 69 HA CYS 549 HA CYS 549 53.181 3.333 -4.008 70 HB2 CYS 549 HB2 CYS 549 54.516 4.052 -5.741 71 HB3 CYS 549 HB1 CYS 549 53.646 5.572 -5.918 72 H SER 550 HN SER 550 52.997 3.641 -1.834 73 HA SER 550 HA SER 550 51.878 5.888 -0.582 74 HB2 SER 550 HB2 SER 550 54.079 4.138 0.547 75 HB3 SER 550 HB1 SER 550 52.976 5.145 1.476 76 HG SER 550 HG SER 550 52.488 2.784 0.025 77 H GLY 551 HN GLY 551 52.541 7.906 -0.853 78 HA2 GLY 551 HA2 GLY 551 54.370 9.537 -0.147 79 HA3 GLY 551 HA1 GLY 551 55.472 8.483 -1.049 80 H CYS 552 HN CYS 552 53.473 7.890 -3.106 81 HA CYS 552 HA CYS 552 53.636 10.454 -4.639 82 HB2 CYS 552 HB2 CYS 552 53.762 7.556 -5.365 83 HB3 CYS 552 HB1 CYS 552 53.059 8.668 -6.538 84 H GLN 553 HN GLN 553 51.481 7.967 -3.437 85 HA GLN 553 HA GLN 553 49.149 7.787 -3.451 86 HB2 GLN 553 HB2 GLN 553 49.430 10.775 -3.922 87 HB3 GLN 553 HB1 GLN 553 47.894 9.970 -3.606 88 HG2 GLN 553 HG2 GLN 553 48.595 10.707 -1.474 89 HG3 GLN 553 HG1 GLN 553 49.048 9.006 -1.502 90 HE21 GLN 553 HE21 GLN 553 50.980 8.964 -0.305 91 HE22 GLN 553 HE22 GLN 553 52.330 9.940 -0.634 92 H LYS 554 HN LYS 554 50.729 7.457 -5.907 93 HA LYS 554 HA LYS 554 48.519 7.806 -7.877 94 HB2 LYS 554 HB2 LYS 554 51.471 8.384 -8.300 95 HB3 LYS 554 HB1 LYS 554 50.316 8.211 -9.621 96 HG2 LYS 554 HG2 LYS 554 50.040 10.219 -7.364 97 HG3 LYS 554 HG1 LYS 554 50.695 10.596 -8.956 98 HD2 LYS 554 HD2 LYS 554 48.467 9.579 -9.854 99 HD3 LYS 554 HD1 LYS 554 47.881 9.830 -8.210 100 HE2 LYS 554 HE2 LYS 554 48.626 12.232 -8.392 101 HE3 LYS 554 HE1 LYS 554 48.975 11.936 -10.095 102 HZ1 LYS 554 HZ1 LYS 554 46.508 12.523 -8.903 103 HZ2 LYS 554 HZ2 LYS 554 46.417 10.954 -9.548 104 HZ3 LYS 554 HZ3 LYS 554 46.847 12.261 -10.544 105 HA PRO 555 HA PRO 555 48.886 3.442 -8.370 106 HB2 PRO 555 HB2 PRO 555 48.850 3.868 -11.281 107 HB3 PRO 555 HB1 PRO 555 47.729 2.966 -10.253 108 HG2 PRO 555 HG2 PRO 555 47.237 5.467 -11.386 109 HG3 PRO 555 HG1 PRO 555 46.333 4.755 -10.049 110 HD2 PRO 555 HD2 PRO 555 48.131 7.043 -9.994 111 HD3 PRO 555 HD1 PRO 555 47.112 6.403 -8.679 112 H ILE 556 HN ILE 556 50.361 1.846 -8.996 113 HA ILE 556 HA ILE 556 53.021 2.874 -9.865 114 HB ILE 556 HB ILE 556 52.181 0.455 -8.245 115 HG12 ILE 556 HG12 ILE 556 54.072 2.640 -7.391 116 HG13 ILE 556 HG11 ILE 556 52.334 2.908 -7.305 117 HG21 ILE 556 HG21 ILE 556 54.054 -0.269 -9.550 118 HG22 ILE 556 HG22 ILE 556 54.714 0.182 -7.978 119 HG23 ILE 556 HG23 ILE 556 54.880 1.276 -9.350 120 HD11 ILE 556 HD11 ILE 556 52.714 0.358 -6.196 121 HD12 ILE 556 HD12 ILE 556 52.362 1.846 -5.317 122 HD13 ILE 556 HD13 ILE 556 54.032 1.334 -5.549 123 H THR 557 HN THR 557 52.789 2.698 -12.114 124 HA THR 557 HA THR 557 51.709 0.270 -13.334 125 HB THR 557 HB THR 557 52.457 1.395 -15.472 126 HG1 THR 557 HG1 THR 557 54.175 2.574 -14.594 127 HG21 THR 557 HG21 THR 557 50.218 1.818 -14.854 128 HG22 THR 557 HG22 THR 557 50.899 3.427 -15.086 129 HG23 THR 557 HG23 THR 557 50.692 2.784 -13.457 130 H GLY 558 HN GLY 558 52.969 -1.508 -13.009 131 HA2 GLY 558 HA2 GLY 558 54.896 -2.646 -14.238 132 HA3 GLY 558 HA1 GLY 558 55.887 -1.314 -13.634 133 H ARG 559 HN ARG 559 57.221 -2.693 -12.337 134 HA ARG 559 HA ARG 559 56.189 -4.606 -10.468 135 HB2 ARG 559 HB2 ARG 559 58.780 -3.089 -10.727 136 HB3 ARG 559 HB1 ARG 559 58.467 -4.050 -9.283 137 HG2 ARG 559 HG2 ARG 559 57.835 -5.446 -11.798 138 HG3 ARG 559 HG1 ARG 559 59.541 -5.037 -11.618 139 HD2 ARG 559 HD2 ARG 559 59.632 -6.159 -9.459 140 HD3 ARG 559 HD1 ARG 559 57.895 -6.466 -9.508 141 HE ARG 559 HE ARG 559 58.852 -7.652 -11.827 142 HH11 ARG 559 HH11 ARG 559 59.524 -9.800 -11.916 143 HH12 ARG 559 HH12 ARG 559 60.061 -10.589 -10.471 144 HH21 ARG 559 HH21 ARG 559 59.568 -7.819 -8.453 145 HH22 ARG 559 HH22 ARG 559 60.087 -9.470 -8.515 146 H CYS 560 HN CYS 560 56.202 -4.297 -8.055 147 HA CYS 560 HA CYS 560 55.989 -1.526 -7.102 148 HB2 CYS 560 HB2 CYS 560 53.685 -1.667 -6.394 149 HB3 CYS 560 HB1 CYS 560 53.742 -2.057 -8.112 150 HG CYS 560 HG CYS 560 53.963 -4.647 -6.726 151 H ILE 561 HN ILE 561 56.479 -1.397 -4.974 152 HA ILE 561 HA ILE 561 57.141 -3.919 -3.579 153 HB ILE 561 HB ILE 561 57.510 -1.179 -2.391 154 HG12 ILE 561 HG12 ILE 561 58.315 -1.048 -4.750 155 HG13 ILE 561 HG11 ILE 561 59.637 -0.944 -3.595 156 HG21 ILE 561 HG21 ILE 561 58.245 -2.772 -0.885 157 HG22 ILE 561 HG22 ILE 561 59.730 -2.509 -1.800 158 HG23 ILE 561 HG23 ILE 561 58.715 -3.906 -2.151 159 HD11 ILE 561 HD11 ILE 561 60.091 -3.362 -3.909 160 HD12 ILE 561 HD12 ILE 561 60.230 -2.470 -5.424 161 HD13 ILE 561 HD13 ILE 561 58.792 -3.438 -5.100 162 H THR 562 HN THR 562 56.324 -4.356 -1.434 163 HA THR 562 HA THR 562 53.862 -2.840 -0.688 164 HB THR 562 HB THR 562 54.163 -5.859 -0.720 165 HG1 THR 562 HG1 THR 562 53.675 -4.457 -2.698 166 HG21 THR 562 HG21 THR 562 52.795 -5.380 1.137 167 HG22 THR 562 HG22 THR 562 51.637 -5.633 -0.169 168 HG23 THR 562 HG23 THR 562 52.047 -3.995 0.341 169 H ALA 563 HN ALA 563 54.581 -1.883 1.158 170 HA ALA 563 HA ALA 563 56.316 -3.361 3.027 171 HB1 ALA 563 HB1 ALA 563 56.525 -1.268 4.199 172 HB2 ALA 563 HB2 ALA 563 55.128 -0.597 3.357 173 HB3 ALA 563 HB3 ALA 563 56.623 -0.907 2.475 174 H MET 564 HN MET 564 54.690 -1.523 5.083 175 HA MET 564 HA MET 564 53.121 -3.723 6.157 176 HB2 MET 564 HB2 MET 564 53.198 -0.777 6.874 177 HB3 MET 564 HB1 MET 564 52.367 -2.013 7.815 178 HG2 MET 564 HG2 MET 564 54.508 -3.196 8.157 179 HG3 MET 564 HG1 MET 564 55.342 -1.954 7.224 180 HE1 MET 564 HE1 MET 564 56.567 -2.292 10.205 181 HE2 MET 564 HE2 MET 564 55.141 -3.327 10.184 182 HE3 MET 564 HE3 MET 564 55.319 -2.111 11.445 183 H ALA 565 HN ALA 565 52.127 -3.691 3.804 184 HA ALA 565 HA ALA 565 50.042 -3.632 2.696 185 HB1 ALA 565 HB1 ALA 565 48.916 -1.568 4.548 186 HB2 ALA 565 HB2 ALA 565 49.181 -3.186 5.198 187 HB3 ALA 565 HB3 ALA 565 48.125 -2.958 3.805 188 H LYS 566 HN LYS 566 52.069 -1.080 3.553 189 HA LYS 566 HA LYS 566 50.873 0.949 1.810 190 HB2 LYS 566 HB2 LYS 566 53.366 0.750 3.487 191 HB3 LYS 566 HB1 LYS 566 53.133 2.084 2.361 192 HG2 LYS 566 HG2 LYS 566 50.868 1.410 4.182 193 HG3 LYS 566 HG1 LYS 566 52.269 2.206 4.886 194 HD2 LYS 566 HD2 LYS 566 52.096 4.030 3.260 195 HD3 LYS 566 HD1 LYS 566 50.738 3.218 2.477 196 HE2 LYS 566 HE2 LYS 566 49.623 4.706 3.883 197 HE3 LYS 566 HE1 LYS 566 49.690 3.257 4.888 198 HZ1 LYS 566 HZ1 LYS 566 50.459 5.537 5.831 199 HZ2 LYS 566 HZ2 LYS 566 51.901 5.189 5.003 200 HZ3 LYS 566 HZ3 LYS 566 51.330 4.130 6.202 201 H LYS 567 HN LYS 567 51.391 1.200 -0.336 202 HA LYS 567 HA LYS 567 53.413 -0.637 -1.476 203 HB2 LYS 567 HB2 LYS 567 51.156 0.993 -2.614 204 HB3 LYS 567 HB1 LYS 567 52.434 0.388 -3.668 205 HG2 LYS 567 HG2 LYS 567 50.482 -1.171 -3.500 206 HG3 LYS 567 HG1 LYS 567 52.001 -1.896 -2.973 207 HD2 LYS 567 HD2 LYS 567 51.426 -1.735 -0.685 208 HD3 LYS 567 HD1 LYS 567 50.157 -0.549 -1.000 209 HE2 LYS 567 HE2 LYS 567 48.668 -2.150 -1.812 210 HE3 LYS 567 HE1 LYS 567 49.958 -3.277 -2.227 211 HZ1 LYS 567 HZ1 LYS 567 48.493 -3.630 -0.107 212 HZ2 LYS 567 HZ2 LYS 567 49.601 -2.543 0.585 213 HZ3 LYS 567 HZ3 LYS 567 50.148 -4.003 -0.092 214 H PHE 568 HN PHE 568 54.784 0.337 -3.275 215 HA PHE 568 HA PHE 568 55.442 3.200 -3.016 216 HB2 PHE 568 HB2 PHE 568 57.306 0.998 -2.071 217 HB3 PHE 568 HB1 PHE 568 57.879 2.603 -2.507 218 HD1 PHE 568 HD1 PHE 568 56.042 0.604 -0.041 219 HD2 PHE 568 HD2 PHE 568 57.260 4.573 -1.148 220 HE1 PHE 568 HE1 PHE 568 55.498 1.407 2.240 221 HE2 PHE 568 HE2 PHE 568 56.712 5.375 1.134 222 HZ PHE 568 HZ PHE 568 55.832 3.792 2.828 223 H HIS 569 HN HIS 569 56.388 3.897 -4.955 224 HA HIS 569 HA HIS 569 56.473 2.155 -7.218 225 HB2 HIS 569 HB2 HIS 569 57.734 4.832 -6.613 226 HB3 HIS 569 HB1 HIS 569 58.155 3.976 -8.092 227 HD2 HIS 569 HD2 HIS 569 55.585 3.232 -9.588 228 HE1 HIS 569 HE1 HIS 569 53.745 6.789 -8.246 229 HE2 HIS 569 HE2 HIS 569 53.602 4.885 -9.930 230 HA PRO 570 HA PRO 570 60.002 -0.342 -6.155 231 HB2 PRO 570 HB2 PRO 570 60.695 -0.166 -9.031 232 HB3 PRO 570 HB1 PRO 570 60.384 -1.589 -8.028 233 HG2 PRO 570 HG2 PRO 570 58.604 -0.629 -9.887 234 HG3 PRO 570 HG1 PRO 570 58.144 -1.577 -8.472 235 HD2 PRO 570 HD2 PRO 570 57.683 1.284 -9.010 236 HD3 PRO 570 HD1 PRO 570 56.902 0.222 -7.811 237 H GLU 571 HN GLU 571 60.178 2.777 -7.486 238 HA GLU 571 HA GLU 571 63.132 2.909 -7.050 239 HB2 GLU 571 HB2 GLU 571 63.079 4.918 -8.495 240 HB3 GLU 571 HB1 GLU 571 62.449 3.505 -9.341 241 HG2 GLU 571 HG2 GLU 571 60.164 4.204 -8.934 242 HG3 GLU 571 HG1 GLU 571 60.705 5.529 -7.910 243 H HIS 572 HN HIS 572 60.061 3.914 -5.867 244 HA HIS 572 HA HIS 572 61.255 6.217 -4.406 245 HB2 HIS 572 HB2 HIS 572 58.369 5.326 -4.705 246 HB3 HIS 572 HB1 HIS 572 58.891 6.710 -3.744 247 HD2 HIS 572 HD2 HIS 572 61.260 7.373 -6.268 248 HE1 HIS 572 HE1 HIS 572 57.751 8.525 -8.302 249 HE2 HIS 572 HE2 HIS 572 60.287 8.676 -8.293 250 H PHE 573 HN PHE 573 60.556 2.934 -3.992 251 HA PHE 573 HA PHE 573 59.968 2.997 -1.141 252 HB2 PHE 573 HB2 PHE 573 59.332 1.072 -2.601 253 HB3 PHE 573 HB1 PHE 573 61.041 0.741 -2.867 254 HD1 PHE 573 HD1 PHE 573 61.827 -1.065 -1.630 255 HD2 PHE 573 HD2 PHE 573 58.908 1.550 0.126 256 HE1 PHE 573 HE1 PHE 573 61.899 -2.390 0.465 257 HE2 PHE 573 HE2 PHE 573 58.979 0.224 2.219 258 HZ PHE 573 HZ PHE 573 60.474 -1.747 2.388 259 H VAL 574 HN VAL 574 61.639 4.318 -0.304 260 HA VAL 574 HA VAL 574 64.405 3.239 -0.582 261 HB VAL 574 HB VAL 574 65.167 5.471 0.124 262 HG11 VAL 574 HG11 VAL 574 64.150 4.784 -2.315 263 HG12 VAL 574 HG12 VAL 574 64.942 6.324 -1.980 264 HG13 VAL 574 HG13 VAL 574 63.182 6.211 -1.945 265 HG21 VAL 574 HG21 VAL 574 62.191 6.070 0.241 266 HG22 VAL 574 HG22 VAL 574 63.458 7.295 0.321 267 HG23 VAL 574 HG23 VAL 574 63.319 6.086 1.597 268 H CYS 575 HN CYS 575 65.777 3.712 1.445 269 HA CYS 575 HA CYS 575 64.545 2.336 3.699 270 HB2 CYS 575 HB2 CYS 575 66.851 1.870 3.236 271 HB3 CYS 575 HB1 CYS 575 67.265 3.580 3.239 272 H ALA 576 HN ALA 576 63.667 3.274 5.501 273 HA ALA 576 HA ALA 576 63.298 6.155 5.590 274 HB1 ALA 576 HB1 ALA 576 61.532 4.867 6.518 275 HB2 ALA 576 HB2 ALA 576 62.335 5.588 7.911 276 HB3 ALA 576 HB3 ALA 576 62.639 3.902 7.494 277 H PHE 577 HN PHE 577 66.068 5.445 5.565 278 HA PHE 577 HA PHE 577 66.935 6.766 8.078 279 HB2 PHE 577 HB2 PHE 577 67.177 4.116 8.035 280 HB3 PHE 577 HB1 PHE 577 68.588 4.484 7.048 281 HD1 PHE 577 HD1 PHE 577 66.939 5.535 10.255 282 HD2 PHE 577 HD2 PHE 577 70.615 4.979 8.101 283 HE1 PHE 577 HE1 PHE 577 68.223 6.109 12.296 284 HE2 PHE 577 HE2 PHE 577 71.897 5.554 10.143 285 HZ PHE 577 HZ PHE 577 70.702 6.119 12.241 286 H CYS 578 HN CYS 578 68.342 5.236 5.178 287 HA CYS 578 HA CYS 578 70.030 7.648 4.773 288 HB2 CYS 578 HB2 CYS 578 71.009 6.154 2.910 289 HB3 CYS 578 HB1 CYS 578 71.303 5.652 4.573 290 H LEU 579 HN LEU 579 67.194 6.104 3.587 291 HA LEU 579 HA LEU 579 65.732 6.599 1.833 292 HB2 LEU 579 HB2 LEU 579 67.048 9.321 2.089 293 HB3 LEU 579 HB1 LEU 579 65.524 8.992 1.267 294 HG LEU 579 HG LEU 579 65.112 7.821 3.728 295 HD11 LEU 579 HD11 LEU 579 66.434 10.474 4.302 296 HD12 LEU 579 HD12 LEU 579 67.329 8.958 4.390 297 HD13 LEU 579 HD13 LEU 579 65.943 9.225 5.446 298 HD21 LEU 579 HD21 LEU 579 64.507 10.662 2.843 299 HD22 LEU 579 HD22 LEU 579 63.708 9.833 4.179 300 HD23 LEU 579 HD23 LEU 579 63.514 9.239 2.530 301 H LYS 580 HN LYS 580 68.684 5.854 1.243 302 HA LYS 580 HA LYS 580 69.306 7.149 -1.276 303 HB2 LYS 580 HB2 LYS 580 70.999 5.370 -1.515 304 HB3 LYS 580 HB1 LYS 580 71.045 6.057 0.108 305 HG2 LYS 580 HG2 LYS 580 69.417 4.132 0.742 306 HG3 LYS 580 HG1 LYS 580 69.936 3.393 -0.772 307 HD2 LYS 580 HD2 LYS 580 72.275 4.305 0.583 308 HD3 LYS 580 HD1 LYS 580 71.293 3.415 1.747 309 HE2 LYS 580 HE2 LYS 580 72.707 1.807 0.652 310 HE3 LYS 580 HE1 LYS 580 71.077 1.581 0.017 311 HZ1 LYS 580 HZ1 LYS 580 73.419 2.804 -1.279 312 HZ2 LYS 580 HZ2 LYS 580 71.855 3.261 -1.760 313 HZ3 LYS 580 HZ3 LYS 580 72.345 1.639 -1.885 314 H GLN 581 HN GLN 581 68.064 3.906 -0.457 315 HA GLN 581 HA GLN 581 66.075 3.818 -2.468 316 HB2 GLN 581 HB2 GLN 581 68.620 3.528 -3.597 317 HB3 GLN 581 HB1 GLN 581 68.043 1.875 -3.420 318 HG2 GLN 581 HG2 GLN 581 65.915 3.573 -4.396 319 HG3 GLN 581 HG1 GLN 581 67.331 3.718 -5.435 320 HE21 GLN 581 HE21 GLN 581 64.853 1.506 -4.277 321 HE22 GLN 581 HE22 GLN 581 65.217 0.240 -5.345 322 H LEU 582 HN LEU 582 65.124 1.578 -2.544 323 HA LEU 582 HA LEU 582 66.244 -0.363 -0.663 324 HB2 LEU 582 HB2 LEU 582 64.853 1.507 0.584 325 HB3 LEU 582 HB1 LEU 582 63.477 0.564 0.022 326 HG LEU 582 HG LEU 582 64.598 -1.470 1.008 327 HD11 LEU 582 HD11 LEU 582 66.179 -0.287 2.980 328 HD12 LEU 582 HD12 LEU 582 66.651 0.532 1.493 329 HD13 LEU 582 HD13 LEU 582 66.755 -1.225 1.603 330 HD21 LEU 582 HD21 LEU 582 62.902 -0.818 2.409 331 HD22 LEU 582 HD22 LEU 582 63.479 0.845 2.496 332 HD23 LEU 582 HD23 LEU 582 64.248 -0.407 3.472 333 H ASN 583 HN ASN 583 65.059 -2.378 -0.649 334 HA ASN 583 HA ASN 583 62.946 -2.703 -2.701 335 HB2 ASN 583 HB2 ASN 583 64.842 -3.168 -4.057 336 HB3 ASN 583 HB1 ASN 583 65.667 -4.021 -2.752 337 HD21 ASN 583 HD21 ASN 583 62.456 -4.295 -4.405 338 HD22 ASN 583 HD22 ASN 583 62.535 -5.981 -4.581 339 H LYS 584 HN LYS 584 61.390 -3.946 -1.806 340 HA LYS 584 HA LYS 584 61.427 -5.059 0.757 341 HB2 LYS 584 HB2 LYS 584 59.325 -4.819 -0.335 342 HB3 LYS 584 HB1 LYS 584 59.845 -5.779 -1.717 343 HG2 LYS 584 HG2 LYS 584 58.365 -7.130 -0.338 344 HG3 LYS 584 HG1 LYS 584 59.999 -7.777 -0.213 345 HD2 LYS 584 HD2 LYS 584 58.896 -7.630 2.005 346 HD3 LYS 584 HD1 LYS 584 60.325 -6.602 1.917 347 HE2 LYS 584 HE2 LYS 584 59.105 -4.667 2.040 348 HE3 LYS 584 HE1 LYS 584 57.775 -5.328 1.090 349 HZ1 LYS 584 HZ1 LYS 584 56.693 -5.606 2.986 350 HZ2 LYS 584 HZ2 LYS 584 58.052 -5.167 3.906 351 HZ3 LYS 584 HZ3 LYS 584 57.830 -6.783 3.431 352 H GLY 585 HN GLY 585 62.570 -6.458 -2.253 353 HA2 GLY 585 HA2 GLY 585 62.782 -9.173 -1.489 354 HA3 GLY 585 HA1 GLY 585 63.810 -8.392 -2.681 355 H THR 586 HN THR 586 64.798 -6.433 -0.571 356 HA THR 586 HA THR 586 66.319 -8.288 1.188 357 HB THR 586 HB THR 586 68.469 -7.298 0.521 358 HG1 THR 586 HG1 THR 586 66.958 -5.987 -1.488 359 HG21 THR 586 HG21 THR 586 66.874 -8.275 -1.869 360 HG22 THR 586 HG22 THR 586 67.635 -9.314 -0.664 361 HG23 THR 586 HG23 THR 586 68.631 -8.302 -1.710 362 H PHE 587 HN PHE 587 64.268 -6.191 1.705 363 HA PHE 587 HA PHE 587 65.948 -4.182 3.135 364 HB2 PHE 587 HB2 PHE 587 64.284 -2.660 2.852 365 HB3 PHE 587 HB1 PHE 587 63.717 -3.746 1.598 366 HD1 PHE 587 HD1 PHE 587 62.397 -5.919 2.774 367 HD2 PHE 587 HD2 PHE 587 62.595 -1.888 4.248 368 HE1 PHE 587 HE1 PHE 587 60.309 -6.284 4.060 369 HE2 PHE 587 HE2 PHE 587 60.504 -2.255 5.528 370 HZ PHE 587 HZ PHE 587 59.363 -4.452 5.436 371 H LYS 588 HN LYS 588 64.748 -3.462 5.228 372 HA LYS 588 HA LYS 588 63.628 -5.737 6.758 373 HB2 LYS 588 HB2 LYS 588 66.182 -4.249 7.374 374 HB3 LYS 588 HB1 LYS 588 65.225 -4.953 8.672 375 HG2 LYS 588 HG2 LYS 588 66.148 -6.548 6.267 376 HG3 LYS 588 HG1 LYS 588 67.087 -6.427 7.754 377 HD2 LYS 588 HD2 LYS 588 65.864 -8.112 8.606 378 HD3 LYS 588 HD1 LYS 588 64.460 -7.045 8.577 379 HE2 LYS 588 HE2 LYS 588 63.854 -7.782 6.364 380 HE3 LYS 588 HE1 LYS 588 65.364 -8.675 6.188 381 HZ1 LYS 588 HZ1 LYS 588 64.646 -10.340 7.519 382 HZ2 LYS 588 HZ2 LYS 588 63.129 -9.827 6.951 383 HZ3 LYS 588 HZ3 LYS 588 63.681 -9.329 8.480 384 H GLU 589 HN GLU 589 62.711 -4.813 8.892 385 HA GLU 589 HA GLU 589 62.159 -1.902 8.640 386 HB2 GLU 589 HB2 GLU 589 59.851 -2.135 8.704 387 HB3 GLU 589 HB1 GLU 589 60.301 -3.535 7.731 388 HG2 GLU 589 HG2 GLU 589 60.460 -4.718 10.101 389 HG3 GLU 589 HG1 GLU 589 59.362 -3.419 10.576 390 H GLN 590 HN GLN 590 61.709 -0.852 10.573 391 HA GLN 590 HA GLN 590 61.656 -2.338 13.106 392 HB2 GLN 590 HB2 GLN 590 64.114 -2.017 12.446 393 HB3 GLN 590 HB1 GLN 590 63.836 -0.289 12.634 394 HG2 GLN 590 HG2 GLN 590 64.688 -1.017 14.731 395 HG3 GLN 590 HG1 GLN 590 62.954 -0.824 14.975 396 HE21 GLN 590 HE21 GLN 590 64.596 -3.526 13.292 397 HE22 GLN 590 HE22 GLN 590 64.075 -4.725 14.374 398 H ASN 591 HN ASN 591 60.808 -0.994 14.783 399 HA ASN 591 HA ASN 591 59.475 0.749 15.600 400 HB2 ASN 591 HB2 ASN 591 61.531 2.209 13.941 401 HB3 ASN 591 HB1 ASN 591 60.285 3.075 14.833 402 HD21 ASN 591 HD21 ASN 591 63.417 1.919 15.119 403 HD22 ASN 591 HD22 ASN 591 63.513 1.819 16.811 404 H ASP 592 HN ASP 592 58.870 -0.521 12.824 405 HA ASP 592 HA ASP 592 56.977 -0.331 11.430 406 HB2 ASP 592 HB2 ASP 592 56.164 1.147 13.500 407 HB3 ASP 592 HB1 ASP 592 56.379 2.452 12.333 408 H LYS 593 HN LYS 593 59.671 0.549 10.683 409 HA LYS 593 HA LYS 593 58.878 2.187 8.359 410 HB2 LYS 593 HB2 LYS 593 61.314 3.357 9.022 411 HB3 LYS 593 HB1 LYS 593 59.728 4.095 9.219 412 HG2 LYS 593 HG2 LYS 593 59.629 2.964 11.507 413 HG3 LYS 593 HG1 LYS 593 61.336 2.592 11.287 414 HD2 LYS 593 HD2 LYS 593 61.602 4.619 12.319 415 HD3 LYS 593 HD1 LYS 593 61.386 5.218 10.675 416 HE2 LYS 593 HE2 LYS 593 59.871 6.487 12.002 417 HE3 LYS 593 HE1 LYS 593 58.872 5.278 11.194 418 HZ1 LYS 593 HZ1 LYS 593 58.851 3.946 13.144 419 HZ2 LYS 593 HZ2 LYS 593 58.447 5.527 13.619 420 HZ3 LYS 593 HZ3 LYS 593 60.007 4.922 13.912 421 HA PRO 594 HA PRO 594 61.603 -0.632 6.342 422 HB2 PRO 594 HB2 PRO 594 62.445 0.959 4.260 423 HB3 PRO 594 HB1 PRO 594 60.875 0.153 4.335 424 HG2 PRO 594 HG2 PRO 594 61.559 3.010 4.822 425 HG3 PRO 594 HG1 PRO 594 60.097 2.309 4.120 426 HD2 PRO 594 HD2 PRO 594 60.263 3.266 6.719 427 HD3 PRO 594 HD1 PRO 594 59.094 2.030 6.189 428 H TYR 595 HN TYR 595 63.770 -1.112 5.950 429 HA TYR 595 HA TYR 595 65.905 0.848 6.323 430 HB2 TYR 595 HB2 TYR 595 65.357 -1.306 8.399 431 HB3 TYR 595 HB1 TYR 595 66.904 -0.481 8.249 432 HD1 TYR 595 HD1 TYR 595 63.938 -0.474 10.038 433 HD2 TYR 595 HD2 TYR 595 66.573 2.227 7.989 434 HE1 TYR 595 HE1 TYR 595 63.075 1.407 11.401 435 HE2 TYR 595 HE2 TYR 595 65.702 4.107 9.353 436 HH TYR 595 HH TYR 595 63.938 4.729 10.706 437 H CYS 596 HN CYS 596 67.428 0.141 4.848 438 HA CYS 596 HA CYS 596 67.264 -2.276 3.424 439 HB2 CYS 596 HB2 CYS 596 70.013 -1.302 3.983 440 HB3 CYS 596 HB1 CYS 596 69.249 -1.668 2.440 441 H GLN 597 HN GLN 597 68.117 -4.342 3.770 442 HA GLN 597 HA GLN 597 68.271 -5.372 6.362 443 HB2 GLN 597 HB2 GLN 597 68.236 -7.139 4.918 444 HB3 GLN 597 HB1 GLN 597 69.083 -6.231 3.671 445 HG2 GLN 597 HG2 GLN 597 70.454 -8.127 4.401 446 HG3 GLN 597 HG1 GLN 597 71.227 -6.614 4.863 447 HE21 GLN 597 HE21 GLN 597 68.447 -7.356 6.778 448 HE22 GLN 597 HE22 GLN 597 69.270 -7.958 8.133 449 H ASN 598 HN ASN 598 70.826 -3.946 4.386 450 HA ASN 598 HA ASN 598 72.987 -4.468 6.208 451 HB2 ASN 598 HB2 ASN 598 73.918 -2.295 5.018 452 HB3 ASN 598 HB1 ASN 598 73.785 -3.805 4.133 453 HD21 ASN 598 HD21 ASN 598 71.580 -4.094 2.965 454 HD22 ASN 598 HD22 ASN 598 70.932 -2.710 2.220 455 H CYS 599 HN CYS 599 70.789 -1.758 5.703 456 HA CYS 599 HA CYS 599 71.789 -0.065 7.795 457 HB2 CYS 599 HB2 CYS 599 69.257 -0.256 6.226 458 HB3 CYS 599 HB1 CYS 599 69.170 0.608 7.757 459 H PHE 600 HN PHE 600 68.863 -2.153 7.799 460 HA PHE 600 HA PHE 600 68.267 -2.092 10.543 461 HB2 PHE 600 HB2 PHE 600 66.771 -3.254 9.095 462 HB3 PHE 600 HB1 PHE 600 68.052 -4.277 8.459 463 HD1 PHE 600 HD1 PHE 600 69.015 -6.104 9.850 464 HD2 PHE 600 HD2 PHE 600 65.644 -3.785 11.164 465 HE1 PHE 600 HE1 PHE 600 68.493 -7.828 11.552 466 HE2 PHE 600 HE2 PHE 600 65.125 -5.512 12.866 467 HZ PHE 600 HZ PHE 600 66.548 -7.532 13.060 468 H LEU 601 HN LEU 601 70.501 -4.234 8.816 469 HA LEU 601 HA LEU 601 71.489 -5.713 11.032 470 HB2 LEU 601 HB2 LEU 601 71.950 -6.325 8.709 471 HB3 LEU 601 HB1 LEU 601 72.830 -4.824 8.459 472 HG LEU 601 HG LEU 601 74.360 -5.623 10.383 473 HD11 LEU 601 HD11 LEU 601 72.915 -7.430 11.195 474 HD12 LEU 601 HD12 LEU 601 74.436 -8.103 10.607 475 HD13 LEU 601 HD13 LEU 601 72.979 -8.215 9.617 476 HD21 LEU 601 HD21 LEU 601 75.348 -5.589 8.270 477 HD22 LEU 601 HD22 LEU 601 74.183 -6.730 7.597 478 HD23 LEU 601 HD23 LEU 601 75.458 -7.302 8.675 479 H LYS 602 HN LYS 602 72.036 -2.478 9.926 480 HA LYS 602 HA LYS 602 74.376 -2.014 11.661 481 HB2 LYS 602 HB2 LYS 602 73.540 -0.936 9.263 482 HB3 LYS 602 HB1 LYS 602 73.044 0.299 10.412 483 HG2 LYS 602 HG2 LYS 602 75.255 0.886 9.821 484 HG3 LYS 602 HG1 LYS 602 75.404 0.108 11.396 485 HD2 LYS 602 HD2 LYS 602 77.115 -0.884 10.082 486 HD3 LYS 602 HD1 LYS 602 75.815 -2.075 10.085 487 HE2 LYS 602 HE2 LYS 602 75.220 -1.633 7.875 488 HE3 LYS 602 HE1 LYS 602 75.896 -0.004 7.911 489 HZ1 LYS 602 HZ1 LYS 602 78.118 -1.011 8.052 490 HZ2 LYS 602 HZ2 LYS 602 77.305 -1.433 6.621 491 HZ3 LYS 602 HZ3 LYS 602 77.423 -2.551 7.895 492 H LEU 603 HN LEU 603 70.938 -1.140 11.470 493 HA LEU 603 HA LEU 603 71.103 0.539 13.869 494 HB2 LEU 603 HB2 LEU 603 68.507 -0.411 12.693 495 HB3 LEU 603 HB1 LEU 603 68.885 1.132 13.445 496 HG LEU 603 HG LEU 603 69.757 0.185 10.709 497 HD11 LEU 603 HD11 LEU 603 68.445 2.110 9.936 498 HD12 LEU 603 HD12 LEU 603 68.044 2.516 11.605 499 HD13 LEU 603 HD13 LEU 603 67.438 1.021 10.891 500 HD21 LEU 603 HD21 LEU 603 70.527 2.660 12.280 501 HD22 LEU 603 HD22 LEU 603 70.768 2.495 10.540 502 HD23 LEU 603 HD23 LEU 603 71.612 1.420 11.652 503 H PHE 604 HN PHE 604 69.270 -2.407 13.022 504 HA PHE 604 HA PHE 604 68.570 -2.974 15.761 505 HB2 PHE 604 HB2 PHE 604 67.415 -3.775 13.590 506 HB3 PHE 604 HB1 PHE 604 68.651 -5.031 13.558 507 HD1 PHE 604 HD1 PHE 604 66.086 -3.488 15.809 508 HD2 PHE 604 HD2 PHE 604 68.378 -6.987 14.834 509 HE1 PHE 604 HE1 PHE 604 64.804 -4.794 17.482 510 HE2 PHE 604 HE2 PHE 604 67.096 -8.293 16.507 511 HZ PHE 604 HZ PHE 604 65.310 -7.196 17.831 512 H CYS 605 HN CYS 605 71.370 -3.627 13.827 513 HA CYS 605 HA CYS 605 72.538 -5.117 16.124 514 HB2 CYS 605 HB2 CYS 605 71.617 -6.641 14.198 515 HB3 CYS 605 HB1 CYS 605 73.054 -6.107 13.329 516 HG CYS 605 HG CYS 605 74.372 -6.977 15.605 Start of MODEL 16 1 H TYR 541 HT1 TYR 541 35.933 -3.632 -18.101 2 HA TYR 541 HA TYR 541 38.813 -3.165 -17.547 3 HB2 TYR 541 HB2 TYR 541 37.363 -3.801 -20.139 4 HB3 TYR 541 HB1 TYR 541 39.070 -3.378 -20.003 5 HD1 TYR 541 HD1 TYR 541 36.560 -5.993 -19.533 6 HD2 TYR 541 HD2 TYR 541 40.653 -4.896 -18.823 7 HE1 TYR 541 HE1 TYR 541 37.112 -8.362 -19.053 8 HE2 TYR 541 HE2 TYR 541 41.204 -7.266 -18.342 9 HH TYR 541 HH TYR 541 39.708 -9.715 -19.232 10 H HIS 542 HN HIS 542 37.781 -1.146 -16.566 11 HA HIS 542 HA HIS 542 37.792 0.976 -18.575 12 HB2 HIS 542 HB2 HIS 542 35.368 -0.020 -18.373 13 HB3 HIS 542 HB1 HIS 542 35.326 0.875 -16.855 14 HD1 HIS 542 HD1 HIS 542 36.416 3.502 -17.301 15 HD2 HIS 542 HD2 HIS 542 34.402 1.573 -20.399 16 HE1 HIS 542 HE1 HIS 542 35.703 5.309 -18.926 17 H GLU 543 HN GLU 543 36.947 0.176 -15.213 18 HA GLU 543 HA GLU 543 37.579 2.747 -14.121 19 HB2 GLU 543 HB2 GLU 543 37.022 0.042 -13.085 20 HB3 GLU 543 HB1 GLU 543 38.090 0.998 -12.058 21 HG2 GLU 543 HG2 GLU 543 36.314 2.900 -12.472 22 HG3 GLU 543 HG1 GLU 543 35.249 1.549 -12.864 23 H ARG 544 HN ARG 544 39.494 3.449 -13.041 24 HA ARG 544 HA ARG 544 41.932 1.789 -13.483 25 HB2 ARG 544 HB2 ARG 544 41.506 4.668 -14.298 26 HB3 ARG 544 HB1 ARG 544 43.112 3.962 -14.107 27 HG2 ARG 544 HG2 ARG 544 40.977 2.743 -15.869 28 HG3 ARG 544 HG1 ARG 544 42.179 3.883 -16.463 29 HD2 ARG 544 HD2 ARG 544 43.783 2.135 -15.141 30 HD3 ARG 544 HD1 ARG 544 42.502 1.047 -15.662 31 HE ARG 544 HE ARG 544 44.572 1.963 -17.325 32 HH11 ARG 544 HH11 ARG 544 44.421 2.194 -19.547 33 HH12 ARG 544 HH12 ARG 544 42.864 2.291 -20.298 34 HH21 ARG 544 HH21 ARG 544 41.110 1.996 -17.333 35 HH22 ARG 544 HH22 ARG 544 40.999 2.184 -19.049 36 H ARG 545 HN ARG 545 42.672 1.446 -11.446 37 HA ARG 545 HA ARG 545 42.679 3.758 -9.541 38 HB2 ARG 545 HB2 ARG 545 42.754 0.908 -8.604 39 HB3 ARG 545 HB1 ARG 545 42.172 2.344 -7.759 40 HG2 ARG 545 HG2 ARG 545 40.326 2.460 -9.530 41 HG3 ARG 545 HG1 ARG 545 40.825 0.834 -9.997 42 HD2 ARG 545 HD2 ARG 545 40.313 -0.046 -7.829 43 HD3 ARG 545 HD1 ARG 545 40.125 1.571 -7.151 44 HE ARG 545 HE ARG 545 38.209 1.464 -9.155 45 HH11 ARG 545 HH11 ARG 545 36.099 0.754 -8.789 46 HH12 ARG 545 HH12 ARG 545 35.776 -0.323 -7.472 47 HH21 ARG 545 HH21 ARG 545 39.069 -0.455 -6.414 48 HH22 ARG 545 HH22 ARG 545 37.452 -1.005 -6.131 49 H GLY 546 HN GLY 546 44.256 1.790 -7.763 50 HA2 GLY 546 HA2 GLY 546 46.581 0.775 -8.579 51 HA3 GLY 546 HA1 GLY 546 46.887 2.477 -8.912 52 H SER 547 HN SER 547 48.247 3.169 -7.326 53 HA SER 547 HA SER 547 47.320 3.273 -4.571 54 HB2 SER 547 HB2 SER 547 48.986 1.053 -5.401 55 HB3 SER 547 HB1 SER 547 49.845 2.051 -4.233 56 HG SER 547 HG SER 547 47.191 1.077 -3.933 57 H LEU 548 HN LEU 548 48.055 5.239 -3.881 58 HA LEU 548 HA LEU 548 50.018 6.708 -5.391 59 HB2 LEU 548 HB2 LEU 548 48.538 7.182 -2.826 60 HB3 LEU 548 HB1 LEU 548 49.910 8.207 -3.227 61 HG LEU 548 HG LEU 548 48.890 8.830 -5.350 62 HD11 LEU 548 HD11 LEU 548 47.736 6.868 -6.023 63 HD12 LEU 548 HD12 LEU 548 46.473 8.063 -5.732 64 HD13 LEU 548 HD13 LEU 548 46.797 6.813 -4.531 65 HD21 LEU 548 HD21 LEU 548 48.251 10.073 -3.274 66 HD22 LEU 548 HD22 LEU 548 46.844 9.021 -3.118 67 HD23 LEU 548 HD23 LEU 548 46.988 10.102 -4.504 68 H CYS 549 HN CYS 549 52.181 6.957 -5.042 69 HA CYS 549 HA CYS 549 53.511 5.109 -3.206 70 HB2 CYS 549 HB2 CYS 549 54.840 5.325 -5.074 71 HB3 CYS 549 HB1 CYS 549 54.320 6.978 -5.382 72 H SER 550 HN SER 550 53.550 5.677 -1.075 73 HA SER 550 HA SER 550 53.049 8.237 -0.045 74 HB2 SER 550 HB2 SER 550 54.883 6.150 1.168 75 HB3 SER 550 HB1 SER 550 54.135 7.490 2.028 76 HG SER 550 HG SER 550 52.970 5.183 0.907 77 H GLY 551 HN GLY 551 54.109 9.999 -0.642 78 HA2 GLY 551 HA2 GLY 551 56.317 11.230 -0.203 79 HA3 GLY 551 HA1 GLY 551 57.068 9.877 -1.063 80 H CYS 552 HN CYS 552 54.834 9.570 -2.917 81 HA CYS 552 HA CYS 552 55.399 11.904 -4.700 82 HB2 CYS 552 HB2 CYS 552 54.797 9.000 -5.173 83 HB3 CYS 552 HB1 CYS 552 54.400 10.180 -6.420 84 H GLN 553 HN GLN 553 52.881 10.039 -3.135 85 HA GLN 553 HA GLN 553 50.570 10.361 -2.989 86 HB2 GLN 553 HB2 GLN 553 51.410 13.159 -3.819 87 HB3 GLN 553 HB1 GLN 553 49.775 12.730 -3.323 88 HG2 GLN 553 HG2 GLN 553 50.788 13.522 -1.338 89 HG3 GLN 553 HG1 GLN 553 50.866 11.770 -1.190 90 HE21 GLN 553 HE21 GLN 553 52.840 11.386 -0.143 91 HE22 GLN 553 HE22 GLN 553 54.333 12.019 -0.646 92 H LYS 554 HN LYS 554 51.839 9.453 -5.481 93 HA LYS 554 HA LYS 554 49.589 10.054 -7.340 94 HB2 LYS 554 HB2 LYS 554 52.545 9.935 -8.034 95 HB3 LYS 554 HB1 LYS 554 51.250 9.944 -9.230 96 HG2 LYS 554 HG2 LYS 554 51.650 12.108 -7.144 97 HG3 LYS 554 HG1 LYS 554 52.229 12.216 -8.805 98 HD2 LYS 554 HD2 LYS 554 49.800 11.743 -9.505 99 HD3 LYS 554 HD1 LYS 554 49.373 12.088 -7.830 100 HE2 LYS 554 HE2 LYS 554 50.968 13.989 -9.569 101 HE3 LYS 554 HE1 LYS 554 49.218 14.083 -9.373 102 HZ1 LYS 554 HZ1 LYS 554 51.123 14.121 -7.100 103 HZ2 LYS 554 HZ2 LYS 554 49.457 14.453 -7.058 104 HZ3 LYS 554 HZ3 LYS 554 50.520 15.525 -7.837 105 HA PRO 555 HA PRO 555 49.036 5.683 -7.366 106 HB2 PRO 555 HB2 PRO 555 48.895 5.835 -10.307 107 HB3 PRO 555 HB1 PRO 555 47.693 5.257 -9.145 108 HG2 PRO 555 HG2 PRO 555 47.592 7.691 -10.491 109 HG3 PRO 555 HG1 PRO 555 46.682 7.300 -9.029 110 HD2 PRO 555 HD2 PRO 555 48.891 9.179 -9.340 111 HD3 PRO 555 HD1 PRO 555 47.871 8.895 -7.906 112 H ILE 556 HN ILE 556 50.129 3.774 -7.847 113 HA ILE 556 HA ILE 556 52.875 4.138 -8.943 114 HB ILE 556 HB ILE 556 51.664 2.110 -7.045 115 HG12 ILE 556 HG12 ILE 556 54.012 3.924 -6.516 116 HG13 ILE 556 HG11 ILE 556 52.372 4.548 -6.371 117 HG21 ILE 556 HG21 ILE 556 54.448 2.260 -8.246 118 HG22 ILE 556 HG22 ILE 556 53.284 0.950 -8.436 119 HG23 ILE 556 HG23 ILE 556 54.023 1.251 -6.864 120 HD11 ILE 556 HD11 ILE 556 53.843 2.798 -4.564 121 HD12 ILE 556 HD12 ILE 556 52.290 2.100 -5.023 122 HD13 ILE 556 HD13 ILE 556 52.355 3.698 -4.280 123 H THR 557 HN THR 557 52.551 3.773 -11.140 124 HA THR 557 HA THR 557 50.891 1.561 -12.086 125 HB THR 557 HB THR 557 51.804 2.254 -14.336 126 HG1 THR 557 HG1 THR 557 53.795 3.064 -13.403 127 HG21 THR 557 HG21 THR 557 50.859 4.708 -14.036 128 HG22 THR 557 HG22 THR 557 50.421 4.116 -12.432 129 HG23 THR 557 HG23 THR 557 49.790 3.315 -13.871 130 H GLY 558 HN GLY 558 51.630 -0.470 -11.857 131 HA2 GLY 558 HA2 GLY 558 53.206 -2.150 -12.832 132 HA3 GLY 558 HA1 GLY 558 54.514 -1.032 -12.427 133 H ARG 559 HN ARG 559 55.527 -2.605 -11.006 134 HA ARG 559 HA ARG 559 54.188 -3.950 -8.896 135 HB2 ARG 559 HB2 ARG 559 57.028 -3.087 -9.366 136 HB3 ARG 559 HB1 ARG 559 56.563 -3.819 -7.833 137 HG2 ARG 559 HG2 ARG 559 57.223 -5.640 -9.162 138 HG3 ARG 559 HG1 ARG 559 55.470 -5.671 -9.252 139 HD2 ARG 559 HD2 ARG 559 55.513 -5.326 -11.476 140 HD3 ARG 559 HD1 ARG 559 56.587 -3.942 -11.283 141 HE ARG 559 HE ARG 559 58.258 -6.124 -10.935 142 HH11 ARG 559 HH11 ARG 559 59.362 -7.108 -12.633 143 HH12 ARG 559 HH12 ARG 559 58.745 -6.977 -14.246 144 HH21 ARG 559 HH21 ARG 559 56.003 -5.072 -13.329 145 HH22 ARG 559 HH22 ARG 559 56.847 -5.826 -14.639 146 H CYS 560 HN CYS 560 54.693 -3.390 -6.506 147 HA CYS 560 HA CYS 560 55.005 -0.558 -5.885 148 HB2 CYS 560 HB2 CYS 560 52.775 -0.179 -5.000 149 HB3 CYS 560 HB1 CYS 560 52.635 -0.678 -6.685 150 HG CYS 560 HG CYS 560 52.409 -3.190 -5.242 151 H ILE 561 HN ILE 561 55.675 -0.313 -3.816 152 HA ILE 561 HA ILE 561 55.919 -2.764 -2.174 153 HB ILE 561 HB ILE 561 56.966 -0.055 -1.380 154 HG12 ILE 561 HG12 ILE 561 57.590 -0.391 -3.765 155 HG13 ILE 561 HG11 ILE 561 58.994 -0.472 -2.709 156 HG21 ILE 561 HG21 ILE 561 57.532 -1.507 0.299 157 HG22 ILE 561 HG22 ILE 561 58.884 -1.849 -0.782 158 HG23 ILE 561 HG23 ILE 561 57.484 -2.917 -0.760 159 HD11 ILE 561 HD11 ILE 561 59.093 -2.295 -4.330 160 HD12 ILE 561 HD12 ILE 561 57.483 -2.837 -3.858 161 HD13 ILE 561 HD13 ILE 561 58.824 -2.960 -2.720 162 H THR 562 HN THR 562 55.138 -2.852 -0.007 163 HA THR 562 HA THR 562 53.159 -0.734 0.727 164 HB THR 562 HB THR 562 52.829 -3.730 1.089 165 HG1 THR 562 HG1 THR 562 52.508 -2.829 -1.053 166 HG21 THR 562 HG21 THR 562 51.731 -2.746 2.920 167 HG22 THR 562 HG22 THR 562 50.450 -2.881 1.715 168 HG23 THR 562 HG23 THR 562 51.246 -1.330 1.987 169 H ALA 563 HN ALA 563 54.193 0.247 2.401 170 HA ALA 563 HA ALA 563 55.758 -1.370 4.318 171 HB1 ALA 563 HB1 ALA 563 56.572 0.849 3.419 172 HB2 ALA 563 HB2 ALA 563 56.545 0.742 5.180 173 HB3 ALA 563 HB3 ALA 563 55.273 1.620 4.329 174 H MET 564 HN MET 564 54.799 1.055 6.188 175 HA MET 564 HA MET 564 52.930 -0.562 7.708 176 HB2 MET 564 HB2 MET 564 53.687 2.365 7.933 177 HB3 MET 564 HB1 MET 564 52.730 1.485 9.122 178 HG2 MET 564 HG2 MET 564 54.613 -0.086 9.465 179 HG3 MET 564 HG1 MET 564 55.574 0.822 8.297 180 HE1 MET 564 HE1 MET 564 55.727 -0.079 11.374 181 HE2 MET 564 HE2 MET 564 56.372 1.251 12.331 182 HE3 MET 564 HE3 MET 564 57.223 0.727 10.880 183 H ALA 565 HN ALA 565 51.708 -0.638 5.458 184 HA ALA 565 HA ALA 565 49.580 -0.273 4.509 185 HB1 ALA 565 HB1 ALA 565 49.102 0.602 7.003 186 HB2 ALA 565 HB2 ALA 565 47.952 0.862 5.693 187 HB3 ALA 565 HB3 ALA 565 49.050 2.156 6.169 188 H LYS 566 HN LYS 566 52.146 1.877 4.802 189 HA LYS 566 HA LYS 566 51.103 3.869 2.886 190 HB2 LYS 566 HB2 LYS 566 53.451 3.613 4.682 191 HB3 LYS 566 HB1 LYS 566 53.752 4.451 3.161 192 HG2 LYS 566 HG2 LYS 566 51.824 5.947 3.623 193 HG3 LYS 566 HG1 LYS 566 51.582 5.134 5.169 194 HD2 LYS 566 HD2 LYS 566 54.256 6.337 4.457 195 HD3 LYS 566 HD1 LYS 566 52.973 7.327 5.153 196 HE2 LYS 566 HE2 LYS 566 53.125 6.326 7.207 197 HE3 LYS 566 HE1 LYS 566 53.496 4.744 6.522 198 HZ1 LYS 566 HZ1 LYS 566 55.726 5.622 5.964 199 HZ2 LYS 566 HZ2 LYS 566 55.422 5.562 7.635 200 HZ3 LYS 566 HZ3 LYS 566 55.349 7.044 6.808 201 H LYS 567 HN LYS 567 51.563 3.800 0.713 202 HA LYS 567 HA LYS 567 53.102 1.469 -0.260 203 HB2 LYS 567 HB2 LYS 567 51.154 3.391 -1.506 204 HB3 LYS 567 HB1 LYS 567 52.212 2.416 -2.525 205 HG2 LYS 567 HG2 LYS 567 50.001 1.327 -2.089 206 HG3 LYS 567 HG1 LYS 567 51.371 0.367 -1.527 207 HD2 LYS 567 HD2 LYS 567 50.973 0.891 0.738 208 HD3 LYS 567 HD1 LYS 567 49.985 2.297 0.330 209 HE2 LYS 567 HE2 LYS 567 48.122 1.012 -0.204 210 HE3 LYS 567 HE1 LYS 567 49.087 -0.415 -0.574 211 HZ1 LYS 567 HZ1 LYS 567 49.012 0.670 2.165 212 HZ2 LYS 567 HZ2 LYS 567 49.372 -0.909 1.650 213 HZ3 LYS 567 HZ3 LYS 567 47.770 -0.345 1.613 214 H PHE 568 HN PHE 568 54.503 1.925 -2.241 215 HA PHE 568 HA PHE 568 55.766 4.589 -2.356 216 HB2 PHE 568 HB2 PHE 568 57.188 2.139 -1.267 217 HB3 PHE 568 HB1 PHE 568 58.053 3.525 -1.918 218 HD1 PHE 568 HD1 PHE 568 56.026 2.243 0.858 219 HD2 PHE 568 HD2 PHE 568 57.983 5.709 -0.761 220 HE1 PHE 568 HE1 PHE 568 55.846 3.373 3.057 221 HE2 PHE 568 HE2 PHE 568 57.799 6.838 1.439 222 HZ PHE 568 HZ PHE 568 56.731 5.670 3.348 223 H HIS 569 HN HIS 569 56.690 4.860 -4.410 224 HA HIS 569 HA HIS 569 56.201 2.942 -6.465 225 HB2 HIS 569 HB2 HIS 569 58.086 5.290 -6.231 226 HB3 HIS 569 HB1 HIS 569 58.175 4.226 -7.630 227 HD2 HIS 569 HD2 HIS 569 55.409 3.988 -8.906 228 HE1 HIS 569 HE1 HIS 569 54.515 7.967 -7.811 229 HE2 HIS 569 HE2 HIS 569 53.824 6.017 -9.294 230 HA PRO 570 HA PRO 570 59.145 -0.197 -5.339 231 HB2 PRO 570 HB2 PRO 570 59.617 -0.499 -8.244 232 HB3 PRO 570 HB1 PRO 570 59.043 -1.683 -7.063 233 HG2 PRO 570 HG2 PRO 570 57.427 -0.483 -8.944 234 HG3 PRO 570 HG1 PRO 570 56.850 -1.173 -7.427 235 HD2 PRO 570 HD2 PRO 570 57.025 1.655 -8.217 236 HD3 PRO 570 HD1 PRO 570 56.125 0.916 -6.868 237 H GLU 571 HN GLU 571 59.899 2.642 -7.039 238 HA GLU 571 HA GLU 571 62.833 2.118 -6.825 239 HB2 GLU 571 HB2 GLU 571 63.109 3.915 -8.492 240 HB3 GLU 571 HB1 GLU 571 62.073 2.632 -9.117 241 HG2 GLU 571 HG2 GLU 571 60.081 3.915 -8.650 242 HG3 GLU 571 HG1 GLU 571 61.010 5.141 -7.794 243 H HIS 572 HN HIS 572 60.198 3.923 -5.546 244 HA HIS 572 HA HIS 572 62.015 6.019 -4.465 245 HB2 HIS 572 HB2 HIS 572 58.988 5.783 -4.430 246 HB3 HIS 572 HB1 HIS 572 59.890 7.092 -3.664 247 HD2 HIS 572 HD2 HIS 572 62.089 6.976 -6.416 248 HE1 HIS 572 HE1 HIS 572 58.740 8.719 -8.292 249 HE2 HIS 572 HE2 HIS 572 61.235 8.287 -8.488 250 H PHE 573 HN PHE 573 60.598 3.050 -3.614 251 HA PHE 573 HA PHE 573 60.459 3.539 -0.735 252 HB2 PHE 573 HB2 PHE 573 59.098 1.768 -1.887 253 HB3 PHE 573 HB1 PHE 573 60.592 0.910 -2.246 254 HD1 PHE 573 HD1 PHE 573 61.075 -0.856 -0.812 255 HD2 PHE 573 HD2 PHE 573 59.058 2.599 0.748 256 HE1 PHE 573 HE1 PHE 573 61.019 -1.903 1.434 257 HE2 PHE 573 HE2 PHE 573 59.001 1.552 2.994 258 HZ PHE 573 HZ PHE 573 59.981 -0.699 3.337 259 H VAL 574 HN VAL 574 62.575 4.399 -0.368 260 HA VAL 574 HA VAL 574 64.823 2.490 -0.801 261 HB VAL 574 HB VAL 574 66.297 4.442 -0.481 262 HG11 VAL 574 HG11 VAL 574 64.763 3.871 -2.677 263 HG12 VAL 574 HG12 VAL 574 66.029 5.099 -2.647 264 HG13 VAL 574 HG13 VAL 574 64.345 5.562 -2.400 265 HG21 VAL 574 HG21 VAL 574 65.229 6.708 -0.345 266 HG22 VAL 574 HG22 VAL 574 64.938 5.725 1.090 267 HG23 VAL 574 HG23 VAL 574 63.668 5.920 -0.118 268 H CYS 575 HN CYS 575 66.564 2.680 0.959 269 HA CYS 575 HA CYS 575 65.356 1.958 3.507 270 HB2 CYS 575 HB2 CYS 575 67.325 0.771 2.836 271 HB3 CYS 575 HB1 CYS 575 68.211 2.264 2.552 272 H ALA 576 HN ALA 576 65.048 3.284 5.247 273 HA ALA 576 HA ALA 576 65.562 6.131 5.020 274 HB1 ALA 576 HB1 ALA 576 64.670 4.405 7.346 275 HB2 ALA 576 HB2 ALA 576 63.651 5.396 6.304 276 HB3 ALA 576 HB3 ALA 576 64.778 6.163 7.421 277 H PHE 577 HN PHE 577 67.972 4.627 4.741 278 HA PHE 577 HA PHE 577 69.559 5.811 6.952 279 HB2 PHE 577 HB2 PHE 577 69.023 3.234 7.222 280 HB3 PHE 577 HB1 PHE 577 70.268 3.053 5.990 281 HD1 PHE 577 HD1 PHE 577 69.652 4.866 9.224 282 HD2 PHE 577 HD2 PHE 577 72.499 2.919 6.662 283 HE1 PHE 577 HE1 PHE 577 71.406 5.158 10.951 284 HE2 PHE 577 HE2 PHE 577 74.253 3.214 8.389 285 HZ PHE 577 HZ PHE 577 73.707 4.333 10.533 286 H CYS 578 HN CYS 578 69.986 3.723 4.091 287 HA CYS 578 HA CYS 578 72.206 5.487 3.189 288 HB2 CYS 578 HB2 CYS 578 72.419 3.604 1.420 289 HB3 CYS 578 HB1 CYS 578 72.863 3.217 3.081 290 H LEU 579 HN LEU 579 68.908 4.752 2.579 291 HA LEU 579 HA LEU 579 67.387 5.483 0.964 292 HB2 LEU 579 HB2 LEU 579 69.427 7.713 0.691 293 HB3 LEU 579 HB1 LEU 579 67.760 7.771 0.121 294 HG LEU 579 HG LEU 579 67.431 7.002 2.743 295 HD11 LEU 579 HD11 LEU 579 69.913 7.416 3.057 296 HD12 LEU 579 HD12 LEU 579 68.865 8.339 4.134 297 HD13 LEU 579 HD13 LEU 579 69.595 9.120 2.731 298 HD21 LEU 579 HD21 LEU 579 67.532 9.805 1.582 299 HD22 LEU 579 HD22 LEU 579 66.751 9.375 3.104 300 HD23 LEU 579 HD23 LEU 579 66.136 8.727 1.584 301 H LYS 580 HN LYS 580 69.853 3.834 0.111 302 HA LYS 580 HA LYS 580 70.421 4.667 -2.612 303 HB2 LYS 580 HB2 LYS 580 71.491 2.455 -2.829 304 HB3 LYS 580 HB1 LYS 580 71.979 3.235 -1.325 305 HG2 LYS 580 HG2 LYS 580 70.004 1.939 -0.248 306 HG3 LYS 580 HG1 LYS 580 70.036 0.958 -1.713 307 HD2 LYS 580 HD2 LYS 580 72.728 1.212 -0.834 308 HD3 LYS 580 HD1 LYS 580 71.757 0.804 0.581 309 HE2 LYS 580 HE2 LYS 580 72.451 -1.262 -0.482 310 HE3 LYS 580 HE1 LYS 580 70.718 -1.058 -0.739 311 HZ1 LYS 580 HZ1 LYS 580 72.632 -1.433 -2.673 312 HZ2 LYS 580 HZ2 LYS 580 72.226 0.213 -2.788 313 HZ3 LYS 580 HZ3 LYS 580 71.018 -0.974 -2.921 314 H GLN 581 HN GLN 581 68.468 2.012 -1.241 315 HA GLN 581 HA GLN 581 66.250 2.345 -2.976 316 HB2 GLN 581 HB2 GLN 581 68.416 1.210 -4.339 317 HB3 GLN 581 HB1 GLN 581 67.427 -0.174 -3.886 318 HG2 GLN 581 HG2 GLN 581 65.719 1.954 -4.814 319 HG3 GLN 581 HG1 GLN 581 66.976 1.650 -6.013 320 HE21 GLN 581 HE21 GLN 581 64.213 0.223 -4.344 321 HE22 GLN 581 HE22 GLN 581 64.096 -1.151 -5.331 322 H LEU 582 HN LEU 582 64.701 0.488 -2.655 323 HA LEU 582 HA LEU 582 65.469 -1.553 -0.715 324 HB2 LEU 582 HB2 LEU 582 64.961 0.766 0.476 325 HB3 LEU 582 HB1 LEU 582 63.291 0.249 0.268 326 HG LEU 582 HG LEU 582 63.959 -1.953 1.318 327 HD11 LEU 582 HD11 LEU 582 66.177 -2.299 1.536 328 HD12 LEU 582 HD12 LEU 582 66.126 -1.151 2.872 329 HD13 LEU 582 HD13 LEU 582 66.538 -0.598 1.252 330 HD21 LEU 582 HD21 LEU 582 64.312 -0.699 3.656 331 HD22 LEU 582 HD22 LEU 582 62.764 -0.661 2.812 332 HD23 LEU 582 HD23 LEU 582 63.875 0.701 2.678 333 H ASN 583 HN ASN 583 63.690 -3.032 -0.237 334 HA ASN 583 HA ASN 583 61.230 -2.774 -1.838 335 HB2 ASN 583 HB2 ASN 583 61.605 -5.012 -2.897 336 HB3 ASN 583 HB1 ASN 583 62.747 -3.792 -3.454 337 HD21 ASN 583 HD21 ASN 583 62.446 -6.823 -1.734 338 HD22 ASN 583 HD22 ASN 583 64.101 -7.040 -1.424 339 H LYS 584 HN LYS 584 59.571 -3.656 -0.685 340 HA LYS 584 HA LYS 584 59.820 -4.619 1.943 341 HB2 LYS 584 HB2 LYS 584 57.656 -3.944 1.303 342 HB3 LYS 584 HB1 LYS 584 57.693 -4.908 -0.170 343 HG2 LYS 584 HG2 LYS 584 56.204 -5.979 1.425 344 HG3 LYS 584 HG1 LYS 584 57.640 -6.980 1.235 345 HD2 LYS 584 HD2 LYS 584 57.288 -6.889 3.578 346 HD3 LYS 584 HD1 LYS 584 58.574 -5.722 3.282 347 HE2 LYS 584 HE2 LYS 584 56.938 -4.706 4.766 348 HE3 LYS 584 HE1 LYS 584 56.836 -3.912 3.196 349 HZ1 LYS 584 HZ1 LYS 584 54.865 -5.433 4.581 350 HZ2 LYS 584 HZ2 LYS 584 55.129 -6.047 3.019 351 HZ3 LYS 584 HZ3 LYS 584 54.690 -4.418 3.232 352 H GLY 585 HN GLY 585 60.206 -6.299 -1.079 353 HA2 GLY 585 HA2 GLY 585 59.797 -8.976 -0.327 354 HA3 GLY 585 HA1 GLY 585 60.946 -8.463 -1.555 355 H THR 586 HN THR 586 62.593 -6.895 0.351 356 HA THR 586 HA THR 586 63.548 -8.974 2.240 357 HB THR 586 HB THR 586 65.865 -8.835 1.359 358 HG1 THR 586 HG1 THR 586 66.003 -7.913 -0.805 359 HG21 THR 586 HG21 THR 586 64.264 -10.616 0.598 360 HG22 THR 586 HG22 THR 586 65.515 -10.238 -0.586 361 HG23 THR 586 HG23 THR 586 63.881 -9.610 -0.799 362 H PHE 587 HN PHE 587 62.407 -6.260 2.597 363 HA PHE 587 HA PHE 587 64.802 -4.777 3.568 364 HB2 PHE 587 HB2 PHE 587 63.624 -2.839 3.325 365 HB3 PHE 587 HB1 PHE 587 62.630 -3.796 2.245 366 HD1 PHE 587 HD1 PHE 587 62.367 -1.478 4.729 367 HD2 PHE 587 HD2 PHE 587 60.920 -5.415 3.798 368 HE1 PHE 587 HE1 PHE 587 60.420 -1.116 6.218 369 HE2 PHE 587 HE2 PHE 587 58.976 -5.050 5.291 370 HZ PHE 587 HZ PHE 587 58.724 -2.901 6.500 371 H LYS 588 HN LYS 588 64.174 -3.500 5.664 372 HA LYS 588 HA LYS 588 62.717 -5.184 7.618 373 HB2 LYS 588 HB2 LYS 588 65.637 -4.420 7.728 374 HB3 LYS 588 HB1 LYS 588 64.726 -4.676 9.212 375 HG2 LYS 588 HG2 LYS 588 64.831 -6.721 6.978 376 HG3 LYS 588 HG1 LYS 588 65.970 -6.710 8.323 377 HD2 LYS 588 HD2 LYS 588 64.476 -7.874 9.535 378 HD3 LYS 588 HD1 LYS 588 63.419 -6.463 9.503 379 HE2 LYS 588 HE2 LYS 588 62.327 -7.235 7.500 380 HE3 LYS 588 HE1 LYS 588 63.504 -8.530 7.290 381 HZ1 LYS 588 HZ1 LYS 588 62.672 -9.686 9.106 382 HZ2 LYS 588 HZ2 LYS 588 61.270 -9.104 8.343 383 HZ3 LYS 588 HZ3 LYS 588 61.864 -8.335 9.737 384 H GLU 589 HN GLU 589 62.471 -3.803 9.720 385 HA GLU 589 HA GLU 589 62.654 -0.904 9.101 386 HB2 GLU 589 HB2 GLU 589 60.402 -0.462 9.445 387 HB3 GLU 589 HB1 GLU 589 60.313 -2.030 8.644 388 HG2 GLU 589 HG2 GLU 589 60.464 -2.969 11.101 389 HG3 GLU 589 HG1 GLU 589 59.905 -1.355 11.544 390 H GLN 590 HN GLN 590 62.743 0.437 10.914 391 HA GLN 590 HA GLN 590 62.682 -0.705 13.617 392 HB2 GLN 590 HB2 GLN 590 65.022 -1.121 12.634 393 HB3 GLN 590 HB1 GLN 590 65.219 0.628 12.642 394 HG2 GLN 590 HG2 GLN 590 66.149 -0.123 14.700 395 HG3 GLN 590 HG1 GLN 590 64.578 0.558 15.115 396 HE21 GLN 590 HE21 GLN 590 65.173 -2.627 13.589 397 HE22 GLN 590 HE22 GLN 590 64.531 -3.537 14.870 398 H ASN 591 HN ASN 591 62.489 0.997 15.184 399 HA ASN 591 HA ASN 591 61.767 3.112 15.892 400 HB2 ASN 591 HB2 ASN 591 63.820 3.795 13.783 401 HB3 ASN 591 HB1 ASN 591 62.997 5.039 14.718 402 HD21 ASN 591 HD21 ASN 591 65.751 3.132 14.710 403 HD22 ASN 591 HD22 ASN 591 66.106 3.166 16.370 404 H ASP 592 HN ASP 592 60.456 1.745 13.421 405 HA ASP 592 HA ASP 592 58.472 2.264 12.256 406 HB2 ASP 592 HB2 ASP 592 58.384 4.145 14.158 407 HB3 ASP 592 HB1 ASP 592 58.709 5.193 12.776 408 H LYS 593 HN LYS 593 61.192 2.353 11.106 409 HA LYS 593 HA LYS 593 60.464 3.847 8.660 410 HB2 LYS 593 HB2 LYS 593 63.200 4.371 8.866 411 HB3 LYS 593 HB1 LYS 593 61.895 5.533 9.083 412 HG2 LYS 593 HG2 LYS 593 61.818 4.793 11.528 413 HG3 LYS 593 HG1 LYS 593 63.331 3.947 11.215 414 HD2 LYS 593 HD2 LYS 593 63.989 6.066 12.054 415 HD3 LYS 593 HD1 LYS 593 64.211 6.181 10.309 416 HE2 LYS 593 HE2 LYS 593 61.506 6.920 11.215 417 HE3 LYS 593 HE1 LYS 593 62.779 7.977 11.825 418 HZ1 LYS 593 HZ1 LYS 593 61.676 8.319 9.462 419 HZ2 LYS 593 HZ2 LYS 593 62.900 7.232 9.006 420 HZ3 LYS 593 HZ3 LYS 593 63.301 8.700 9.761 421 HA PRO 594 HA PRO 594 62.079 0.230 6.736 422 HB2 PRO 594 HB2 PRO 594 63.034 1.315 4.399 423 HB3 PRO 594 HB1 PRO 594 61.327 1.013 4.737 424 HG2 PRO 594 HG2 PRO 594 62.838 3.579 4.788 425 HG3 PRO 594 HG1 PRO 594 61.159 3.273 4.336 426 HD2 PRO 594 HD2 PRO 594 61.940 4.368 6.764 427 HD3 PRO 594 HD1 PRO 594 60.406 3.497 6.511 428 H TYR 595 HN TYR 595 63.964 -0.877 6.177 429 HA TYR 595 HA TYR 595 66.580 0.415 6.076 430 HB2 TYR 595 HB2 TYR 595 65.746 -1.267 8.466 431 HB3 TYR 595 HB1 TYR 595 67.428 -0.962 8.048 432 HD1 TYR 595 HD1 TYR 595 67.971 1.623 7.574 433 HD2 TYR 595 HD2 TYR 595 64.736 0.169 9.991 434 HE1 TYR 595 HE1 TYR 595 67.864 3.806 8.749 435 HE2 TYR 595 HE2 TYR 595 64.634 2.349 11.162 436 HH TYR 595 HH TYR 595 66.374 5.122 10.042 437 H CYS 596 HN CYS 596 67.673 -0.858 4.581 438 HA CYS 596 HA CYS 596 66.642 -3.255 3.516 439 HB2 CYS 596 HB2 CYS 596 69.609 -3.054 3.641 440 HB3 CYS 596 HB1 CYS 596 68.565 -3.371 2.259 441 H GLN 597 HN GLN 597 66.969 -5.438 4.024 442 HA GLN 597 HA GLN 597 67.194 -6.209 6.709 443 HB2 GLN 597 HB2 GLN 597 66.460 -8.015 5.515 444 HB3 GLN 597 HB1 GLN 597 67.352 -7.524 4.081 445 HG2 GLN 597 HG2 GLN 597 68.217 -9.659 4.924 446 HG3 GLN 597 HG1 GLN 597 69.440 -8.404 5.083 447 HE21 GLN 597 HE21 GLN 597 66.873 -8.074 7.370 448 HE22 GLN 597 HE22 GLN 597 67.676 -8.753 8.701 449 H ASN 598 HN ASN 598 69.701 -5.757 4.277 450 HA ASN 598 HA ASN 598 71.911 -6.704 5.859 451 HB2 ASN 598 HB2 ASN 598 72.002 -6.377 3.386 452 HB3 ASN 598 HB1 ASN 598 71.889 -4.636 3.636 453 HD21 ASN 598 HD21 ASN 598 73.665 -3.838 5.350 454 HD22 ASN 598 HD22 ASN 598 75.222 -4.466 5.105 455 H CYS 599 HN CYS 599 70.323 -3.567 5.455 456 HA CYS 599 HA CYS 599 72.177 -2.094 7.129 457 HB2 CYS 599 HB2 CYS 599 69.423 -1.595 6.025 458 HB3 CYS 599 HB1 CYS 599 70.010 -0.573 7.332 459 H PHE 600 HN PHE 600 68.813 -3.210 7.709 460 HA PHE 600 HA PHE 600 68.649 -2.768 10.478 461 HB2 PHE 600 HB2 PHE 600 66.708 -3.558 9.322 462 HB3 PHE 600 HB1 PHE 600 67.554 -4.974 8.713 463 HD1 PHE 600 HD1 PHE 600 68.141 -6.849 10.248 464 HD2 PHE 600 HD2 PHE 600 65.746 -3.520 11.534 465 HE1 PHE 600 HE1 PHE 600 67.379 -8.156 12.211 466 HE2 PHE 600 HE2 PHE 600 64.987 -4.831 13.498 467 HZ PHE 600 HZ PHE 600 65.802 -7.146 13.836 468 H LEU 601 HN LEU 601 69.977 -5.556 8.746 469 HA LEU 601 HA LEU 601 70.802 -7.109 10.982 470 HB2 LEU 601 HB2 LEU 601 70.777 -7.982 8.698 471 HB3 LEU 601 HB1 LEU 601 71.985 -6.804 8.204 472 HG LEU 601 HG LEU 601 73.497 -7.857 10.007 473 HD11 LEU 601 HD11 LEU 601 71.367 -10.001 9.726 474 HD12 LEU 601 HD12 LEU 601 71.754 -9.104 11.194 475 HD13 LEU 601 HD13 LEU 601 72.928 -10.230 10.515 476 HD21 LEU 601 HD21 LEU 601 74.155 -8.295 7.817 477 HD22 LEU 601 HD22 LEU 601 72.630 -9.080 7.406 478 HD23 LEU 601 HD23 LEU 601 73.821 -9.928 8.395 479 H LYS 602 HN LYS 602 72.088 -4.264 9.465 480 HA LYS 602 HA LYS 602 74.658 -4.355 10.898 481 HB2 LYS 602 HB2 LYS 602 73.858 -3.279 8.501 482 HB3 LYS 602 HB1 LYS 602 73.834 -1.864 9.543 483 HG2 LYS 602 HG2 LYS 602 76.036 -1.982 8.641 484 HG3 LYS 602 HG1 LYS 602 76.161 -2.534 10.311 485 HD2 LYS 602 HD2 LYS 602 77.410 -4.116 9.033 486 HD3 LYS 602 HD1 LYS 602 75.878 -4.911 9.392 487 HE2 LYS 602 HE2 LYS 602 75.054 -4.574 7.205 488 HE3 LYS 602 HE1 LYS 602 76.255 -3.334 6.848 489 HZ1 LYS 602 HZ1 LYS 602 76.728 -5.520 5.821 490 HZ2 LYS 602 HZ2 LYS 602 76.909 -6.180 7.376 491 HZ3 LYS 602 HZ3 LYS 602 77.970 -4.969 6.835 492 H LEU 603 HN LEU 603 71.604 -2.539 10.983 493 HA LEU 603 HA LEU 603 72.548 -0.810 13.153 494 HB2 LEU 603 HB2 LEU 603 69.655 -1.067 12.388 495 HB3 LEU 603 HB1 LEU 603 70.540 0.356 12.916 496 HG LEU 603 HG LEU 603 70.754 -1.009 10.227 497 HD11 LEU 603 HD11 LEU 603 69.813 1.752 11.039 498 HD12 LEU 603 HD12 LEU 603 68.772 0.422 10.532 499 HD13 LEU 603 HD13 LEU 603 69.903 1.143 9.387 500 HD21 LEU 603 HD21 LEU 603 72.282 0.948 9.702 501 HD22 LEU 603 HD22 LEU 603 72.969 -0.250 10.798 502 HD23 LEU 603 HD23 LEU 603 72.341 1.271 11.435 503 H PHE 604 HN PHE 604 69.921 -3.205 12.835 504 HA PHE 604 HA PHE 604 69.470 -3.333 15.687 505 HB2 PHE 604 HB2 PHE 604 67.873 -3.935 13.710 506 HB3 PHE 604 HB1 PHE 604 68.660 -5.511 13.778 507 HD1 PHE 604 HD1 PHE 604 66.910 -2.986 15.913 508 HD2 PHE 604 HD2 PHE 604 68.008 -7.106 15.389 509 HE1 PHE 604 HE1 PHE 604 65.495 -3.609 17.850 510 HE2 PHE 604 HE2 PHE 604 66.593 -7.729 17.327 511 HZ PHE 604 HZ PHE 604 65.336 -5.981 18.558 512 H CYS 605 HN CYS 605 71.701 -4.880 13.539 513 HA CYS 605 HA CYS 605 72.713 -6.481 15.832 514 HB2 CYS 605 HB2 CYS 605 71.131 -7.801 14.191 515 HB3 CYS 605 HB1 CYS 605 72.544 -7.804 13.138 516 HG CYS 605 HG CYS 605 73.811 -8.830 15.387 Start of MODEL 17 1 H TYR 541 HT1 TYR 541 35.218 -2.371 -16.102 2 HA TYR 541 HA TYR 541 37.440 -1.447 -17.177 3 HB2 TYR 541 HB2 TYR 541 35.324 0.671 -17.674 4 HB3 TYR 541 HB1 TYR 541 37.064 0.910 -17.830 5 HD1 TYR 541 HD1 TYR 541 38.352 -0.396 -19.555 6 HD2 TYR 541 HD2 TYR 541 34.058 -0.409 -19.395 7 HE1 TYR 541 HE1 TYR 541 38.268 -1.278 -21.871 8 HE2 TYR 541 HE2 TYR 541 33.976 -1.290 -21.711 9 HH TYR 541 HH TYR 541 36.167 -1.090 -23.831 10 H HIS 542 HN HIS 542 34.651 0.065 -15.531 11 HA HIS 542 HA HIS 542 34.499 1.125 -13.454 12 HB2 HIS 542 HB2 HIS 542 36.564 -0.546 -12.188 13 HB3 HIS 542 HB1 HIS 542 34.855 -0.374 -11.802 14 HD1 HIS 542 HD1 HIS 542 37.249 -2.584 -13.515 15 HD2 HIS 542 HD2 HIS 542 33.116 -2.042 -13.485 16 HE1 HIS 542 HE1 HIS 542 36.249 -4.644 -14.596 17 H GLU 543 HN GLU 543 36.560 1.382 -11.443 18 HA GLU 543 HA GLU 543 38.080 3.588 -12.679 19 HB2 GLU 543 HB2 GLU 543 37.746 2.642 -9.821 20 HB3 GLU 543 HB1 GLU 543 38.819 3.966 -10.275 21 HG2 GLU 543 HG2 GLU 543 36.675 4.880 -11.515 22 HG3 GLU 543 HG1 GLU 543 35.821 3.837 -10.378 23 H ARG 544 HN ARG 544 39.286 1.467 -10.120 24 HA ARG 544 HA ARG 544 41.284 0.266 -9.935 25 HB2 ARG 544 HB2 ARG 544 40.105 -0.807 -12.040 26 HB3 ARG 544 HB1 ARG 544 41.408 -0.015 -12.924 27 HG2 ARG 544 HG2 ARG 544 42.063 -1.635 -10.480 28 HG3 ARG 544 HG1 ARG 544 41.745 -2.462 -12.004 29 HD2 ARG 544 HD2 ARG 544 43.442 -0.442 -12.790 30 HD3 ARG 544 HD1 ARG 544 44.073 -0.841 -11.196 31 HE ARG 544 HE ARG 544 44.565 -2.352 -13.507 32 HH11 ARG 544 HH11 ARG 544 44.997 -4.550 -13.528 33 HH12 ARG 544 HH12 ARG 544 44.541 -5.529 -12.174 34 HH21 ARG 544 HH21 ARG 544 43.196 -2.901 -10.375 35 HH22 ARG 544 HH22 ARG 544 43.522 -4.599 -10.399 36 H ARG 545 HN ARG 545 42.534 2.078 -9.277 37 HA ARG 545 HA ARG 545 43.866 3.714 -11.343 38 HB2 ARG 545 HB2 ARG 545 44.417 3.823 -8.381 39 HB3 ARG 545 HB1 ARG 545 44.592 5.104 -9.579 40 HG2 ARG 545 HG2 ARG 545 42.057 4.896 -9.923 41 HG3 ARG 545 HG1 ARG 545 42.048 3.960 -8.428 42 HD2 ARG 545 HD2 ARG 545 43.421 5.949 -7.460 43 HD3 ARG 545 HD1 ARG 545 42.808 6.843 -8.844 44 HE ARG 545 HE ARG 545 41.372 6.343 -6.449 45 HH11 ARG 545 HH11 ARG 545 39.141 6.280 -6.301 46 HH12 ARG 545 HH12 ARG 545 38.189 6.108 -7.738 47 HH21 ARG 545 HH21 ARG 545 40.914 6.015 -9.862 48 HH22 ARG 545 HH22 ARG 545 39.190 5.956 -9.744 49 H GLY 546 HN GLY 546 44.713 1.359 -8.824 50 HA2 GLY 546 HA2 GLY 546 46.504 -0.289 -9.658 51 HA3 GLY 546 HA1 GLY 546 47.439 1.162 -10.026 52 H SER 547 HN SER 547 48.453 2.270 -8.351 53 HA SER 547 HA SER 547 47.883 1.796 -5.556 54 HB2 SER 547 HB2 SER 547 49.805 0.040 -6.902 55 HB3 SER 547 HB1 SER 547 50.511 0.891 -5.532 56 HG SER 547 HG SER 547 48.034 -0.499 -5.467 57 H LEU 548 HN LEU 548 48.295 3.810 -4.793 58 HA LEU 548 HA LEU 548 50.082 5.636 -6.152 59 HB2 LEU 548 HB2 LEU 548 48.413 5.730 -3.668 60 HB3 LEU 548 HB1 LEU 548 49.672 6.940 -3.881 61 HG LEU 548 HG LEU 548 48.723 7.626 -6.015 62 HD11 LEU 548 HD11 LEU 548 46.857 5.299 -5.537 63 HD12 LEU 548 HD12 LEU 548 47.883 5.605 -6.938 64 HD13 LEU 548 HD13 LEU 548 46.459 6.604 -6.654 65 HD21 LEU 548 HD21 LEU 548 47.784 8.578 -3.896 66 HD22 LEU 548 HD22 LEU 548 46.514 7.356 -3.953 67 HD23 LEU 548 HD23 LEU 548 46.623 8.575 -5.223 68 H CYS 549 HN CYS 549 52.176 6.161 -5.654 69 HA CYS 549 HA CYS 549 53.658 4.374 -3.882 70 HB2 CYS 549 HB2 CYS 549 55.047 4.935 -5.627 71 HB3 CYS 549 HB1 CYS 549 54.306 6.515 -5.849 72 H SER 550 HN SER 550 53.435 4.745 -1.726 73 HA SER 550 HA SER 550 52.542 7.109 -0.517 74 HB2 SER 550 HB2 SER 550 54.528 5.111 0.601 75 HB3 SER 550 HB1 SER 550 53.656 6.305 1.554 76 HG SER 550 HG SER 550 52.726 4.014 0.220 77 H GLY 551 HN GLY 551 53.385 9.054 -0.777 78 HA2 GLY 551 HA2 GLY 551 55.353 10.522 -0.104 79 HA3 GLY 551 HA1 GLY 551 56.356 9.363 -0.992 80 H CYS 552 HN CYS 552 54.351 8.904 -3.048 81 HA CYS 552 HA CYS 552 54.696 11.427 -4.615 82 HB2 CYS 552 HB2 CYS 552 54.589 8.516 -5.301 83 HB3 CYS 552 HB1 CYS 552 53.974 9.667 -6.487 84 H GLN 553 HN GLN 553 52.384 9.093 -3.397 85 HA GLN 553 HA GLN 553 50.049 9.073 -3.384 86 HB2 GLN 553 HB2 GLN 553 50.690 12.011 -3.628 87 HB3 GLN 553 HB1 GLN 553 49.017 11.456 -3.659 88 HG2 GLN 553 HG2 GLN 553 49.938 12.084 -1.359 89 HG3 GLN 553 HG1 GLN 553 49.193 10.496 -1.480 90 HE21 GLN 553 HE21 GLN 553 52.174 12.175 -0.856 91 HE22 GLN 553 HE22 GLN 553 53.131 10.804 -0.575 92 H LYS 554 HN LYS 554 51.546 8.631 -5.845 93 HA LYS 554 HA LYS 554 49.360 9.181 -7.797 94 HB2 LYS 554 HB2 LYS 554 52.349 9.483 -8.251 95 HB3 LYS 554 HB1 LYS 554 51.163 9.438 -9.555 96 HG2 LYS 554 HG2 LYS 554 51.089 11.432 -7.273 97 HG3 LYS 554 HG1 LYS 554 51.802 11.766 -8.850 98 HD2 LYS 554 HD2 LYS 554 49.481 10.967 -9.774 99 HD3 LYS 554 HD1 LYS 554 48.917 11.310 -8.138 100 HE2 LYS 554 HE2 LYS 554 48.588 13.310 -9.447 101 HE3 LYS 554 HE1 LYS 554 49.942 13.609 -8.357 102 HZ1 LYS 554 HZ1 LYS 554 50.606 12.458 -10.942 103 HZ2 LYS 554 HZ2 LYS 554 51.412 13.653 -10.043 104 HZ3 LYS 554 HZ3 LYS 554 50.047 14.060 -10.969 105 HA PRO 555 HA PRO 555 49.348 4.795 -8.304 106 HB2 PRO 555 HB2 PRO 555 49.329 5.245 -11.214 107 HB3 PRO 555 HB1 PRO 555 48.147 4.424 -10.189 108 HG2 PRO 555 HG2 PRO 555 47.837 6.960 -11.295 109 HG3 PRO 555 HG1 PRO 555 46.899 6.315 -9.946 110 HD2 PRO 555 HD2 PRO 555 48.882 8.451 -9.913 111 HD3 PRO 555 HD1 PRO 555 47.827 7.899 -8.588 112 H ILE 556 HN ILE 556 50.695 3.093 -8.922 113 HA ILE 556 HA ILE 556 53.418 3.906 -9.819 114 HB ILE 556 HB ILE 556 52.403 1.550 -8.206 115 HG12 ILE 556 HG12 ILE 556 54.462 3.583 -7.358 116 HG13 ILE 556 HG11 ILE 556 52.748 3.971 -7.244 117 HG21 ILE 556 HG21 ILE 556 54.943 1.129 -7.958 118 HG22 ILE 556 HG22 ILE 556 55.123 2.150 -9.384 119 HG23 ILE 556 HG23 ILE 556 54.195 0.655 -9.483 120 HD11 ILE 556 HD11 ILE 556 52.922 2.986 -5.195 121 HD12 ILE 556 HD12 ILE 556 54.363 2.075 -5.644 122 HD13 ILE 556 HD13 ILE 556 52.767 1.491 -6.117 123 H THR 557 HN THR 557 53.162 3.757 -12.066 124 HA THR 557 HA THR 557 51.865 1.440 -13.287 125 HB THR 557 HB THR 557 52.706 2.501 -15.427 126 HG1 THR 557 HG1 THR 557 54.496 3.567 -14.703 127 HG21 THR 557 HG21 THR 557 51.313 4.639 -15.052 128 HG22 THR 557 HG22 THR 557 51.077 4.047 -13.407 129 HG23 THR 557 HG23 THR 557 50.506 3.094 -14.777 130 H GLY 558 HN GLY 558 53.077 -0.353 -12.612 131 HA2 GLY 558 HA2 GLY 558 54.841 -1.710 -13.978 132 HA3 GLY 558 HA1 GLY 558 55.948 -0.458 -13.403 133 H ARG 559 HN ARG 559 57.148 -2.051 -12.159 134 HA ARG 559 HA ARG 559 55.979 -3.788 -10.226 135 HB2 ARG 559 HB2 ARG 559 58.687 -2.567 -10.627 136 HB3 ARG 559 HB1 ARG 559 58.339 -3.326 -9.074 137 HG2 ARG 559 HG2 ARG 559 57.560 -4.846 -11.516 138 HG3 ARG 559 HG1 ARG 559 59.285 -4.720 -11.173 139 HD2 ARG 559 HD2 ARG 559 58.770 -6.610 -9.935 140 HD3 ARG 559 HD1 ARG 559 58.495 -5.367 -8.716 141 HE ARG 559 HE ARG 559 56.035 -5.638 -9.983 142 HH11 ARG 559 HH11 ARG 559 54.452 -7.073 -9.272 143 HH12 ARG 559 HH12 ARG 559 54.910 -8.464 -8.348 144 HH21 ARG 559 HH21 ARG 559 58.293 -7.724 -8.409 145 HH22 ARG 559 HH22 ARG 559 57.081 -8.832 -7.861 146 H CYS 560 HN CYS 560 55.944 -3.468 -7.849 147 HA CYS 560 HA CYS 560 56.050 -0.685 -6.896 148 HB2 CYS 560 HB2 CYS 560 53.738 -0.569 -6.216 149 HB3 CYS 560 HB1 CYS 560 53.769 -0.979 -7.930 150 HG CYS 560 HG CYS 560 53.694 -3.524 -6.343 151 H ILE 561 HN ILE 561 56.531 -0.604 -4.764 152 HA ILE 561 HA ILE 561 56.917 -3.173 -3.356 153 HB ILE 561 HB ILE 561 57.515 -0.474 -2.164 154 HG12 ILE 561 HG12 ILE 561 58.381 -0.439 -4.507 155 HG13 ILE 561 HG11 ILE 561 59.678 -0.440 -3.320 156 HG21 ILE 561 HG21 ILE 561 58.470 -3.300 -1.893 157 HG22 ILE 561 HG22 ILE 561 58.048 -2.134 -0.638 158 HG23 ILE 561 HG23 ILE 561 59.580 -1.990 -1.500 159 HD11 ILE 561 HD11 ILE 561 58.651 -2.877 -4.804 160 HD12 ILE 561 HD12 ILE 561 59.949 -2.878 -3.610 161 HD13 ILE 561 HD13 ILE 561 60.159 -2.029 -5.140 162 H THR 562 HN THR 562 55.996 -3.557 -1.253 163 HA THR 562 HA THR 562 53.675 -1.810 -0.554 164 HB THR 562 HB THR 562 53.714 -4.844 -0.548 165 HG1 THR 562 HG1 THR 562 53.459 -3.740 -2.598 166 HG21 THR 562 HG21 THR 562 52.333 -4.267 1.253 167 HG22 THR 562 HG22 THR 562 51.188 -4.351 -0.086 168 HG23 THR 562 HG23 THR 562 51.775 -2.785 0.476 169 H ALA 563 HN ALA 563 54.420 -0.901 1.303 170 HA ALA 563 HA ALA 563 55.976 -2.518 3.223 171 HB1 ALA 563 HB1 ALA 563 56.582 -0.136 2.656 172 HB2 ALA 563 HB2 ALA 563 56.361 -0.429 4.381 173 HB3 ALA 563 HB3 ALA 563 55.092 0.371 3.451 174 H MET 564 HN MET 564 54.503 -0.452 5.191 175 HA MET 564 HA MET 564 52.716 -2.454 6.304 176 HB2 MET 564 HB2 MET 564 53.080 0.489 6.927 177 HB3 MET 564 HB1 MET 564 52.103 -0.618 7.888 178 HG2 MET 564 HG2 MET 564 54.120 -2.031 8.262 179 HG3 MET 564 HG1 MET 564 55.084 -0.849 7.376 180 HE1 MET 564 HE1 MET 564 56.432 -1.116 10.087 181 HE2 MET 564 HE2 MET 564 55.037 -2.175 10.283 182 HE3 MET 564 HE3 MET 564 55.368 -0.934 11.488 183 H ALA 565 HN ALA 565 51.759 -2.402 3.933 184 HA ALA 565 HA ALA 565 49.705 -2.187 2.792 185 HB1 ALA 565 HB1 ALA 565 47.836 -1.367 3.877 186 HB2 ALA 565 HB2 ALA 565 48.716 -0.023 4.605 187 HB3 ALA 565 HB3 ALA 565 48.865 -1.645 5.282 188 H LYS 566 HN LYS 566 51.925 0.221 3.592 189 HA LYS 566 HA LYS 566 50.840 2.246 1.733 190 HB2 LYS 566 HB2 LYS 566 52.950 2.126 3.805 191 HB3 LYS 566 HB1 LYS 566 53.347 3.116 2.401 192 HG2 LYS 566 HG2 LYS 566 51.163 4.304 2.673 193 HG3 LYS 566 HG1 LYS 566 50.881 3.377 4.147 194 HD2 LYS 566 HD2 LYS 566 53.325 5.114 3.703 195 HD3 LYS 566 HD1 LYS 566 51.874 5.663 4.540 196 HE2 LYS 566 HE2 LYS 566 52.881 4.849 6.407 197 HE3 LYS 566 HE1 LYS 566 52.376 3.271 5.802 198 HZ1 LYS 566 HZ1 LYS 566 54.994 4.604 5.395 199 HZ2 LYS 566 HZ2 LYS 566 54.513 3.209 4.553 200 HZ3 LYS 566 HZ3 LYS 566 54.689 3.166 6.242 201 H LYS 567 HN LYS 567 51.553 2.452 -0.364 202 HA LYS 567 HA LYS 567 53.511 0.446 -1.312 203 HB2 LYS 567 HB2 LYS 567 51.439 2.175 -2.637 204 HB3 LYS 567 HB1 LYS 567 52.737 1.460 -3.593 205 HG2 LYS 567 HG2 LYS 567 50.703 0.019 -3.521 206 HG3 LYS 567 HG1 LYS 567 52.119 -0.775 -2.830 207 HD2 LYS 567 HD2 LYS 567 51.356 -0.495 -0.619 208 HD3 LYS 567 HD1 LYS 567 50.232 0.788 -1.074 209 HE2 LYS 567 HE2 LYS 567 48.668 -0.700 -1.947 210 HE3 LYS 567 HE1 LYS 567 49.875 -1.949 -2.245 211 HZ1 LYS 567 HZ1 LYS 567 49.884 -2.596 -0.060 212 HZ2 LYS 567 HZ2 LYS 567 48.253 -2.160 -0.249 213 HZ3 LYS 567 HZ3 LYS 567 49.336 -1.096 0.514 214 H PHE 568 HN PHE 568 55.013 1.270 -3.096 215 HA PHE 568 HA PHE 568 55.883 4.079 -2.865 216 HB2 PHE 568 HB2 PHE 568 57.546 1.751 -1.849 217 HB3 PHE 568 HB1 PHE 568 58.249 3.304 -2.284 218 HD1 PHE 568 HD1 PHE 568 57.768 5.323 -0.948 219 HD2 PHE 568 HD2 PHE 568 56.182 1.481 0.142 220 HE1 PHE 568 HE1 PHE 568 57.229 6.185 1.314 221 HE2 PHE 568 HE2 PHE 568 55.640 2.346 2.401 222 HZ PHE 568 HZ PHE 568 56.165 4.697 2.988 223 H HIS 569 HN HIS 569 56.899 4.663 -4.806 224 HA HIS 569 HA HIS 569 56.886 2.883 -7.034 225 HB2 HIS 569 HB2 HIS 569 58.353 5.457 -6.451 226 HB3 HIS 569 HB1 HIS 569 58.730 4.543 -7.906 227 HD2 HIS 569 HD2 HIS 569 56.132 3.977 -9.435 228 HE1 HIS 569 HE1 HIS 569 54.573 7.705 -8.206 229 HE2 HIS 569 HE2 HIS 569 54.300 5.781 -9.850 230 HA PRO 570 HA PRO 570 60.180 0.126 -5.873 231 HB2 PRO 570 HB2 PRO 570 60.923 0.167 -8.739 232 HB3 PRO 570 HB1 PRO 570 60.464 -1.196 -7.711 233 HG2 PRO 570 HG2 PRO 570 58.818 -0.106 -9.626 234 HG3 PRO 570 HG1 PRO 570 58.247 -0.996 -8.214 235 HD2 PRO 570 HD2 PRO 570 58.040 1.884 -8.791 236 HD3 PRO 570 HD1 PRO 570 57.158 0.910 -7.588 237 H GLU 571 HN GLU 571 60.624 3.175 -7.319 238 HA GLU 571 HA GLU 571 63.573 3.085 -6.849 239 HB2 GLU 571 HB2 GLU 571 63.690 5.058 -8.332 240 HB3 GLU 571 HB1 GLU 571 62.941 3.689 -9.154 241 HG2 GLU 571 HG2 GLU 571 60.725 4.590 -8.768 242 HG3 GLU 571 HG1 GLU 571 61.377 5.881 -7.764 243 H HIS 572 HN HIS 572 60.586 4.362 -5.708 244 HA HIS 572 HA HIS 572 61.962 6.579 -4.273 245 HB2 HIS 572 HB2 HIS 572 59.012 5.928 -4.580 246 HB3 HIS 572 HB1 HIS 572 59.641 7.275 -3.631 247 HD2 HIS 572 HD2 HIS 572 62.076 7.709 -6.140 248 HE1 HIS 572 HE1 HIS 572 58.693 9.130 -8.217 249 HE2 HIS 572 HE2 HIS 572 61.232 9.068 -8.186 250 H PHE 573 HN PHE 573 60.945 3.375 -3.824 251 HA PHE 573 HA PHE 573 60.404 3.536 -0.964 252 HB2 PHE 573 HB2 PHE 573 59.534 1.680 -2.404 253 HB3 PHE 573 HB1 PHE 573 61.192 1.149 -2.666 254 HD1 PHE 573 HD1 PHE 573 59.172 2.246 0.315 255 HD2 PHE 573 HD2 PHE 573 61.771 -0.713 -1.398 256 HE1 PHE 573 HE1 PHE 573 59.097 0.956 2.429 257 HE2 PHE 573 HE2 PHE 573 61.697 -2.002 0.718 258 HZ PHE 573 HZ PHE 573 60.359 -1.168 2.631 259 H VAL 574 HN VAL 574 62.247 4.691 -0.210 260 HA VAL 574 HA VAL 574 64.858 3.283 -0.505 261 HB VAL 574 HB VAL 574 65.883 5.417 0.176 262 HG11 VAL 574 HG11 VAL 574 64.813 4.835 -2.245 263 HG12 VAL 574 HG12 VAL 574 65.704 6.321 -1.921 264 HG13 VAL 574 HG13 VAL 574 63.941 6.324 -1.882 265 HG21 VAL 574 HG21 VAL 574 64.394 7.427 0.377 266 HG22 VAL 574 HG22 VAL 574 64.140 6.252 1.668 267 HG23 VAL 574 HG23 VAL 574 62.996 6.352 0.328 268 H CYS 575 HN CYS 575 66.309 3.614 1.497 269 HA CYS 575 HA CYS 575 64.965 2.399 3.779 270 HB2 CYS 575 HB2 CYS 575 67.189 1.660 3.285 271 HB3 CYS 575 HB1 CYS 575 67.802 3.308 3.254 272 H ALA 576 HN ALA 576 64.212 3.447 5.573 273 HA ALA 576 HA ALA 576 64.203 6.350 5.664 274 HB1 ALA 576 HB1 ALA 576 63.353 4.234 7.660 275 HB2 ALA 576 HB2 ALA 576 62.315 5.187 6.599 276 HB3 ALA 576 HB3 ALA 576 63.153 5.964 7.942 277 H PHE 577 HN PHE 577 66.864 5.377 5.586 278 HA PHE 577 HA PHE 577 67.918 6.546 8.099 279 HB2 PHE 577 HB2 PHE 577 67.855 3.906 8.082 280 HB3 PHE 577 HB1 PHE 577 69.235 4.074 7.002 281 HD1 PHE 577 HD1 PHE 577 71.367 4.250 7.932 282 HD2 PHE 577 HD2 PHE 577 67.957 5.410 10.274 283 HE1 PHE 577 HE1 PHE 577 72.844 4.659 9.882 284 HE2 PHE 577 HE2 PHE 577 69.434 5.819 12.222 285 HZ PHE 577 HZ PHE 577 71.877 5.443 12.027 286 H CYS 578 HN CYS 578 69.068 4.903 5.150 287 HA CYS 578 HA CYS 578 71.006 7.121 4.722 288 HB2 CYS 578 HB2 CYS 578 71.795 5.509 2.854 289 HB3 CYS 578 HB1 CYS 578 72.091 5.026 4.523 290 H LEU 579 HN LEU 579 68.015 5.863 3.589 291 HA LEU 579 HA LEU 579 66.589 6.481 1.846 292 HB2 LEU 579 HB2 LEU 579 68.184 9.056 2.039 293 HB3 LEU 579 HB1 LEU 579 66.620 8.874 1.246 294 HG LEU 579 HG LEU 579 66.120 7.790 3.726 295 HD11 LEU 579 HD11 LEU 579 67.845 10.240 4.176 296 HD12 LEU 579 HD12 LEU 579 68.409 8.590 4.436 297 HD13 LEU 579 HD13 LEU 579 67.082 9.230 5.404 298 HD21 LEU 579 HD21 LEU 579 64.675 9.370 2.537 299 HD22 LEU 579 HD22 LEU 579 65.830 10.673 2.817 300 HD23 LEU 579 HD23 LEU 579 64.964 9.956 4.175 301 H LYS 580 HN LYS 580 69.417 5.403 1.222 302 HA LYS 580 HA LYS 580 70.146 6.598 -1.320 303 HB2 LYS 580 HB2 LYS 580 71.632 4.642 -1.559 304 HB3 LYS 580 HB1 LYS 580 71.778 5.342 0.052 305 HG2 LYS 580 HG2 LYS 580 69.955 3.613 0.732 306 HG3 LYS 580 HG1 LYS 580 70.382 2.799 -0.772 307 HD2 LYS 580 HD2 LYS 580 72.828 3.453 0.504 308 HD3 LYS 580 HD1 LYS 580 71.777 2.775 1.747 309 HE2 LYS 580 HE2 LYS 580 72.979 0.951 0.695 310 HE3 LYS 580 HE1 LYS 580 71.288 0.857 0.202 311 HZ1 LYS 580 HZ1 LYS 580 72.786 2.526 -1.546 312 HZ2 LYS 580 HZ2 LYS 580 71.850 1.155 -1.908 313 HZ3 LYS 580 HZ3 LYS 580 73.478 0.981 -1.452 314 H GLN 581 HN GLN 581 68.579 3.509 -0.455 315 HA GLN 581 HA GLN 581 66.570 3.626 -2.453 316 HB2 GLN 581 HB2 GLN 581 69.060 3.042 -3.587 317 HB3 GLN 581 HB1 GLN 581 68.310 1.464 -3.384 318 HG2 GLN 581 HG2 GLN 581 66.362 3.353 -4.376 319 HG3 GLN 581 HG1 GLN 581 67.785 3.358 -5.417 320 HE21 GLN 581 HE21 GLN 581 65.116 1.386 -4.237 321 HE22 GLN 581 HE22 GLN 581 65.359 0.089 -5.303 322 H LEU 582 HN LEU 582 65.362 1.513 -2.493 323 HA LEU 582 HA LEU 582 66.262 -0.548 -0.627 324 HB2 LEU 582 HB2 LEU 582 65.162 1.499 0.649 325 HB3 LEU 582 HB1 LEU 582 63.663 0.722 0.149 326 HG LEU 582 HG LEU 582 64.592 -1.428 1.109 327 HD11 LEU 582 HD11 LEU 582 66.781 -1.398 1.642 328 HD12 LEU 582 HD12 LEU 582 66.333 -0.415 3.035 329 HD13 LEU 582 HD13 LEU 582 66.849 0.361 1.540 330 HD21 LEU 582 HD21 LEU 582 63.798 1.006 2.634 331 HD22 LEU 582 HD22 LEU 582 64.389 -0.368 3.568 332 HD23 LEU 582 HD23 LEU 582 62.988 -0.555 2.514 333 H ASN 583 HN ASN 583 64.825 -2.391 -0.575 334 HA ASN 583 HA ASN 583 62.582 -2.428 -2.497 335 HB2 ASN 583 HB2 ASN 583 63.506 -4.409 -3.663 336 HB3 ASN 583 HB1 ASN 583 64.548 -3.003 -3.872 337 HD21 ASN 583 HD21 ASN 583 66.451 -2.874 -2.270 338 HD22 ASN 583 HD22 ASN 583 67.157 -4.334 -1.768 339 H LYS 584 HN LYS 584 60.969 -3.648 -1.632 340 HA LYS 584 HA LYS 584 61.037 -4.792 0.930 341 HB2 LYS 584 HB2 LYS 584 58.895 -4.424 0.005 342 HB3 LYS 584 HB1 LYS 584 59.295 -5.272 -1.485 343 HG2 LYS 584 HG2 LYS 584 57.824 -6.688 -0.179 344 HG3 LYS 584 HG1 LYS 584 59.431 -7.408 -0.165 345 HD2 LYS 584 HD2 LYS 584 58.532 -7.461 2.094 346 HD3 LYS 584 HD1 LYS 584 59.853 -6.296 2.040 347 HE2 LYS 584 HE2 LYS 584 58.433 -4.467 2.220 348 HE3 LYS 584 HE1 LYS 584 57.073 -5.323 1.495 349 HZ1 LYS 584 HZ1 LYS 584 56.356 -5.705 3.541 350 HZ2 LYS 584 HZ2 LYS 584 57.773 -5.071 4.231 351 HZ3 LYS 584 HZ3 LYS 584 57.698 -6.711 3.792 352 H GLY 585 HN GLY 585 62.072 -6.129 -2.121 353 HA2 GLY 585 HA2 GLY 585 62.076 -8.888 -1.562 354 HA3 GLY 585 HA1 GLY 585 63.224 -8.096 -2.632 355 H THR 586 HN THR 586 64.339 -6.395 -0.451 356 HA THR 586 HA THR 586 65.514 -8.432 1.365 357 HB THR 586 HB THR 586 67.816 -7.760 0.781 358 HG1 THR 586 HG1 THR 586 66.541 -6.290 -1.284 359 HG21 THR 586 HG21 THR 586 67.944 -8.883 -1.373 360 HG22 THR 586 HG22 THR 586 66.236 -8.568 -1.678 361 HG23 THR 586 HG23 THR 586 66.713 -9.675 -0.391 362 H PHE 587 HN PHE 587 63.775 -6.087 1.838 363 HA PHE 587 HA PHE 587 65.686 -4.275 3.239 364 HB2 PHE 587 HB2 PHE 587 64.194 -2.576 2.973 365 HB3 PHE 587 HB1 PHE 587 63.529 -3.588 1.707 366 HD1 PHE 587 HD1 PHE 587 62.564 -1.621 4.327 367 HD2 PHE 587 HD2 PHE 587 61.986 -5.625 2.879 368 HE1 PHE 587 HE1 PHE 587 60.431 -1.767 5.580 369 HE2 PHE 587 HE2 PHE 587 59.855 -5.768 4.136 370 HZ PHE 587 HZ PHE 587 59.076 -3.840 5.485 371 H LYS 588 HN LYS 588 64.597 -3.383 5.321 372 HA LYS 588 HA LYS 588 63.256 -5.496 6.907 373 HB2 LYS 588 HB2 LYS 588 65.905 -4.174 7.546 374 HB3 LYS 588 HB1 LYS 588 64.908 -4.909 8.795 375 HG2 LYS 588 HG2 LYS 588 65.964 -6.340 6.337 376 HG3 LYS 588 HG1 LYS 588 66.647 -6.467 7.955 377 HD2 LYS 588 HD2 LYS 588 63.923 -7.393 7.027 378 HD3 LYS 588 HD1 LYS 588 65.235 -8.378 7.661 379 HE2 LYS 588 HE2 LYS 588 65.024 -7.057 9.828 380 HE3 LYS 588 HE1 LYS 588 63.529 -6.389 9.174 381 HZ1 LYS 588 HZ1 LYS 588 64.130 -9.262 9.612 382 HZ2 LYS 588 HZ2 LYS 588 62.717 -8.669 8.881 383 HZ3 LYS 588 HZ3 LYS 588 63.048 -8.313 10.509 384 H GLU 589 HN GLU 589 62.486 -4.425 9.052 385 HA GLU 589 HA GLU 589 62.185 -1.488 8.715 386 HB2 GLU 589 HB2 GLU 589 59.866 -1.506 8.811 387 HB3 GLU 589 HB1 GLU 589 60.172 -2.969 7.875 388 HG2 GLU 589 HG2 GLU 589 60.247 -4.108 10.259 389 HG3 GLU 589 HG1 GLU 589 59.312 -2.690 10.738 390 H GLN 590 HN GLN 590 61.843 -0.350 10.630 391 HA GLN 590 HA GLN 590 61.702 -1.766 13.198 392 HB2 GLN 590 HB2 GLN 590 64.170 -1.659 12.493 393 HB3 GLN 590 HB1 GLN 590 64.034 0.088 12.659 394 HG2 GLN 590 HG2 GLN 590 64.865 -0.704 14.751 395 HG3 GLN 590 HG1 GLN 590 63.167 -0.319 15.019 396 HE21 GLN 590 HE21 GLN 590 64.420 -3.216 13.335 397 HE22 GLN 590 HE22 GLN 590 63.816 -4.331 14.464 398 H ASN 591 HN ASN 591 61.016 -0.312 14.863 399 HA ASN 591 HA ASN 591 59.829 1.547 15.654 400 HB2 ASN 591 HB2 ASN 591 61.974 2.794 13.934 401 HB3 ASN 591 HB1 ASN 591 60.813 3.782 14.815 402 HD21 ASN 591 HD21 ASN 591 63.848 2.404 15.102 403 HD22 ASN 591 HD22 ASN 591 63.955 2.333 16.795 404 H ASP 592 HN ASP 592 59.076 0.265 12.925 405 HA ASP 592 HA ASP 592 57.181 0.579 11.553 406 HB2 ASP 592 HB2 ASP 592 56.542 2.197 13.586 407 HB3 ASP 592 HB1 ASP 592 56.842 3.432 12.363 408 H LYS 593 HN LYS 593 59.950 1.222 10.777 409 HA LYS 593 HA LYS 593 59.269 2.848 8.406 410 HB2 LYS 593 HB2 LYS 593 61.829 3.783 9.056 411 HB3 LYS 593 HB1 LYS 593 60.324 4.690 9.156 412 HG2 LYS 593 HG2 LYS 593 60.060 3.616 11.499 413 HG3 LYS 593 HG1 LYS 593 61.768 3.213 11.350 414 HD2 LYS 593 HD2 LYS 593 61.846 5.296 12.411 415 HD3 LYS 593 HD1 LYS 593 62.052 5.732 10.715 416 HE2 LYS 593 HE2 LYS 593 60.391 7.213 11.683 417 HE3 LYS 593 HE1 LYS 593 59.571 6.112 10.576 418 HZ1 LYS 593 HZ1 LYS 593 58.265 5.600 12.279 419 HZ2 LYS 593 HZ2 LYS 593 59.255 6.413 13.395 420 HZ3 LYS 593 HZ3 LYS 593 59.587 4.800 12.977 421 HA PRO 594 HA PRO 594 61.733 -0.214 6.411 422 HB2 PRO 594 HB2 PRO 594 62.728 1.268 4.321 423 HB3 PRO 594 HB1 PRO 594 61.081 0.635 4.403 424 HG2 PRO 594 HG2 PRO 594 62.065 3.407 4.870 425 HG3 PRO 594 HG1 PRO 594 60.536 2.859 4.177 426 HD2 PRO 594 HD2 PRO 594 60.817 3.808 6.772 427 HD3 PRO 594 HD1 PRO 594 59.513 2.713 6.246 428 H TYR 595 HN TYR 595 63.850 -0.899 6.003 429 HA TYR 595 HA TYR 595 66.165 0.843 6.377 430 HB2 TYR 595 HB2 TYR 595 65.398 -1.230 8.463 431 HB3 TYR 595 HB1 TYR 595 67.027 -0.584 8.305 432 HD1 TYR 595 HD1 TYR 595 63.928 -0.166 9.923 433 HD2 TYR 595 HD2 TYR 595 67.154 2.076 8.194 434 HE1 TYR 595 HE1 TYR 595 63.276 1.811 11.264 435 HE2 TYR 595 HE2 TYR 595 66.496 4.055 9.538 436 HH TYR 595 HH TYR 595 64.490 4.928 10.656 437 H CYS 596 HN CYS 596 67.649 -0.019 4.941 438 HA CYS 596 HA CYS 596 67.241 -2.399 3.499 439 HB2 CYS 596 HB2 CYS 596 70.057 -1.640 4.149 440 HB3 CYS 596 HB1 CYS 596 69.356 -2.094 2.600 441 H GLN 597 HN GLN 597 67.918 -4.533 3.817 442 HA GLN 597 HA GLN 597 67.886 -5.594 6.407 443 HB2 GLN 597 HB2 GLN 597 67.643 -7.284 4.868 444 HB3 GLN 597 HB1 GLN 597 68.733 -6.509 3.723 445 HG2 GLN 597 HG2 GLN 597 69.699 -8.616 4.548 446 HG3 GLN 597 HG1 GLN 597 70.670 -7.242 5.065 447 HE21 GLN 597 HE21 GLN 597 67.667 -7.507 6.769 448 HE22 GLN 597 HE22 GLN 597 68.285 -8.214 8.182 449 H ASN 598 HN ASN 598 70.605 -4.409 4.501 450 HA ASN 598 HA ASN 598 72.675 -5.201 6.334 451 HB2 ASN 598 HB2 ASN 598 73.797 -3.052 5.201 452 HB3 ASN 598 HB1 ASN 598 73.628 -4.568 4.334 453 HD21 ASN 598 HD21 ASN 598 71.468 -4.768 3.064 454 HD22 ASN 598 HD22 ASN 598 70.920 -3.365 2.277 455 H CYS 599 HN CYS 599 70.795 -2.250 5.858 456 HA CYS 599 HA CYS 599 71.937 -0.716 7.987 457 HB2 CYS 599 HB2 CYS 599 69.292 -0.660 6.545 458 HB3 CYS 599 HB1 CYS 599 69.527 0.343 7.971 459 H PHE 600 HN PHE 600 68.808 -2.487 7.960 460 HA PHE 600 HA PHE 600 68.234 -2.408 10.710 461 HB2 PHE 600 HB2 PHE 600 66.629 -3.368 9.209 462 HB3 PHE 600 HB1 PHE 600 67.784 -4.558 8.622 463 HD1 PHE 600 HD1 PHE 600 68.488 -6.454 10.082 464 HD2 PHE 600 HD2 PHE 600 65.389 -3.715 11.247 465 HE1 PHE 600 HE1 PHE 600 67.717 -8.060 11.804 466 HE2 PHE 600 HE2 PHE 600 64.620 -5.325 12.971 467 HZ PHE 600 HZ PHE 600 65.783 -7.495 13.249 468 H LEU 601 HN LEU 601 70.214 -4.748 8.929 469 HA LEU 601 HA LEU 601 71.032 -6.366 11.119 470 HB2 LEU 601 HB2 LEU 601 71.409 -7.013 8.798 471 HB3 LEU 601 HB1 LEU 601 72.431 -5.609 8.536 472 HG LEU 601 HG LEU 601 73.916 -6.557 10.421 473 HD11 LEU 601 HD11 LEU 601 73.731 -9.030 10.675 474 HD12 LEU 601 HD12 LEU 601 72.243 -8.992 9.728 475 HD13 LEU 601 HD13 LEU 601 72.311 -8.188 11.296 476 HD21 LEU 601 HD21 LEU 601 74.542 -6.573 8.047 477 HD22 LEU 601 HD22 LEU 601 73.598 -8.040 7.793 478 HD23 LEU 601 HD23 LEU 601 75.038 -8.083 8.813 479 H LYS 602 HN LYS 602 71.917 -3.193 10.077 480 HA LYS 602 HA LYS 602 74.315 -3.029 11.792 481 HB2 LYS 602 HB2 LYS 602 73.586 -1.819 9.419 482 HB3 LYS 602 HB1 LYS 602 73.254 -0.555 10.596 483 HG2 LYS 602 HG2 LYS 602 75.514 -0.230 9.980 484 HG3 LYS 602 HG1 LYS 602 75.582 -1.040 11.544 485 HD2 LYS 602 HD2 LYS 602 77.152 -2.206 10.186 486 HD3 LYS 602 HD1 LYS 602 75.725 -3.240 10.219 487 HE2 LYS 602 HE2 LYS 602 75.114 -2.692 8.026 488 HE3 LYS 602 HE1 LYS 602 76.031 -1.185 8.043 489 HZ1 LYS 602 HZ1 LYS 602 77.169 -2.821 6.721 490 HZ2 LYS 602 HZ2 LYS 602 77.156 -3.934 8.004 491 HZ3 LYS 602 HZ3 LYS 602 78.076 -2.510 8.120 492 H LEU 603 HN LEU 603 71.002 -1.750 11.635 493 HA LEU 603 HA LEU 603 71.368 -0.146 14.061 494 HB2 LEU 603 HB2 LEU 603 68.676 -0.789 12.892 495 HB3 LEU 603 HB1 LEU 603 69.222 0.690 13.666 496 HG LEU 603 HG LEU 603 69.973 -0.297 10.909 497 HD11 LEU 603 HD11 LEU 603 68.884 1.798 10.192 498 HD12 LEU 603 HD12 LEU 603 68.494 2.164 11.873 499 HD13 LEU 603 HD13 LEU 603 67.764 0.766 11.082 500 HD21 LEU 603 HD21 LEU 603 71.961 0.714 11.776 501 HD22 LEU 603 HD22 LEU 603 71.043 1.998 12.564 502 HD23 LEU 603 HD23 LEU 603 71.175 1.960 10.805 503 H PHE 604 HN PHE 604 69.266 -2.890 13.172 504 HA PHE 604 HA PHE 604 68.520 -3.414 15.917 505 HB2 PHE 604 HB2 PHE 604 67.278 -4.024 13.703 506 HB3 PHE 604 HB1 PHE 604 68.313 -5.450 13.714 507 HD1 PHE 604 HD1 PHE 604 65.933 -3.511 15.852 508 HD2 PHE 604 HD2 PHE 604 67.770 -7.312 15.055 509 HE1 PHE 604 HE1 PHE 604 64.443 -4.581 17.520 510 HE2 PHE 604 HE2 PHE 604 66.279 -8.382 16.723 511 HZ PHE 604 HZ PHE 604 64.616 -7.016 17.955 512 H CYS 605 HN CYS 605 71.215 -4.312 13.949 513 HA CYS 605 HA CYS 605 72.216 -6.005 16.179 514 HB2 CYS 605 HB2 CYS 605 71.089 -7.331 14.188 515 HB3 CYS 605 HB1 CYS 605 72.617 -6.999 13.375 516 HG CYS 605 HG CYS 605 72.628 -8.384 16.175 Start of MODEL 18 1 H TYR 541 HT1 TYR 541 44.848 7.654 -16.905 2 HA TYR 541 HA TYR 541 42.672 8.112 -18.867 3 HB2 TYR 541 HB2 TYR 541 43.069 5.554 -19.222 4 HB3 TYR 541 HB1 TYR 541 44.124 6.695 -20.052 5 HD1 TYR 541 HD1 TYR 541 43.911 4.084 -17.518 6 HD2 TYR 541 HD2 TYR 541 46.409 7.185 -19.133 7 HE1 TYR 541 HE1 TYR 541 45.881 3.084 -16.394 8 HE2 TYR 541 HE2 TYR 541 48.378 6.183 -18.007 9 HH TYR 541 HH TYR 541 48.571 4.558 -15.744 10 H HIS 542 HN HIS 542 40.937 8.217 -17.519 11 HA HIS 542 HA HIS 542 39.603 7.803 -15.606 12 HB2 HIS 542 HB2 HIS 542 38.815 5.397 -15.633 13 HB3 HIS 542 HB1 HIS 542 38.713 6.222 -17.184 14 HD1 HIS 542 HD1 HIS 542 40.711 3.594 -15.359 15 HD2 HIS 542 HD2 HIS 542 40.422 5.205 -19.193 16 HE1 HIS 542 HE1 HIS 542 42.075 2.092 -16.872 17 H GLU 543 HN GLU 543 40.055 4.804 -14.539 18 HA GLU 543 HA GLU 543 42.485 5.260 -12.936 19 HB2 GLU 543 HB2 GLU 543 41.382 5.130 -10.800 20 HB3 GLU 543 HB1 GLU 543 40.575 6.396 -11.724 21 HG2 GLU 543 HG2 GLU 543 38.675 5.272 -11.161 22 HG3 GLU 543 HG1 GLU 543 39.138 4.211 -12.491 23 H ARG 544 HN ARG 544 42.617 3.271 -11.294 24 HA ARG 544 HA ARG 544 41.362 0.824 -12.329 25 HB2 ARG 544 HB2 ARG 544 43.848 1.656 -13.386 26 HB3 ARG 544 HB1 ARG 544 44.217 0.351 -12.259 27 HG2 ARG 544 HG2 ARG 544 41.970 0.086 -14.256 28 HG3 ARG 544 HG1 ARG 544 43.633 -0.289 -14.703 29 HD2 ARG 544 HD2 ARG 544 43.676 -1.777 -12.595 30 HD3 ARG 544 HD1 ARG 544 41.919 -1.619 -12.604 31 HE ARG 544 HE ARG 544 42.534 -2.401 -15.194 32 HH11 ARG 544 HH11 ARG 544 42.629 -4.561 -15.828 33 HH12 ARG 544 HH12 ARG 544 42.950 -5.786 -14.647 34 HH21 ARG 544 HH21 ARG 544 43.197 -3.558 -12.008 35 HH22 ARG 544 HH22 ARG 544 43.271 -5.219 -12.489 36 H ARG 545 HN ARG 545 42.232 2.603 -9.803 37 HA ARG 545 HA ARG 545 42.532 2.176 -7.528 38 HB2 ARG 545 HB2 ARG 545 41.970 -0.723 -8.186 39 HB3 ARG 545 HB1 ARG 545 41.712 0.109 -6.658 40 HG2 ARG 545 HG2 ARG 545 40.139 1.655 -8.007 41 HG3 ARG 545 HG1 ARG 545 40.175 0.389 -9.233 42 HD2 ARG 545 HD2 ARG 545 39.649 -1.195 -7.215 43 HD3 ARG 545 HD1 ARG 545 39.104 0.282 -6.434 44 HE ARG 545 HE ARG 545 37.598 -1.212 -8.306 45 HH11 ARG 545 HH11 ARG 545 36.007 -0.362 -9.629 46 HH12 ARG 545 HH12 ARG 545 35.918 1.350 -9.876 47 HH21 ARG 545 HH21 ARG 545 38.614 2.062 -7.835 48 HH22 ARG 545 HH22 ARG 545 37.394 2.713 -8.872 49 H GLY 546 HN GLY 546 43.612 -1.034 -8.531 50 HA2 GLY 546 HA2 GLY 546 45.715 -2.044 -8.387 51 HA3 GLY 546 HA1 GLY 546 46.355 -0.458 -8.809 52 H SER 547 HN SER 547 47.359 0.731 -7.232 53 HA SER 547 HA SER 547 46.835 0.395 -4.402 54 HB2 SER 547 HB2 SER 547 48.828 -1.314 -5.661 55 HB3 SER 547 HB1 SER 547 49.555 -0.290 -4.428 56 HG SER 547 HG SER 547 47.224 -1.887 -4.101 57 H LEU 548 HN LEU 548 47.181 2.440 -3.660 58 HA LEU 548 HA LEU 548 48.715 4.359 -5.187 59 HB2 LEU 548 HB2 LEU 548 47.253 4.397 -2.571 60 HB3 LEU 548 HB1 LEU 548 48.388 5.693 -2.925 61 HG LEU 548 HG LEU 548 47.207 6.233 -4.986 62 HD11 LEU 548 HD11 LEU 548 45.578 3.790 -4.277 63 HD12 LEU 548 HD12 LEU 548 46.453 4.121 -5.772 64 HD13 LEU 548 HD13 LEU 548 44.986 5.021 -5.392 65 HD21 LEU 548 HD21 LEU 548 45.107 7.035 -4.033 66 HD22 LEU 548 HD22 LEU 548 46.384 7.191 -2.828 67 HD23 LEU 548 HD23 LEU 548 45.225 5.866 -2.718 68 H CYS 549 HN CYS 549 50.799 5.036 -4.876 69 HA CYS 549 HA CYS 549 52.550 3.407 -3.206 70 HB2 CYS 549 HB2 CYS 549 53.747 4.048 -5.062 71 HB3 CYS 549 HB1 CYS 549 52.863 5.559 -5.240 72 H SER 550 HN SER 550 52.495 3.796 -1.040 73 HA SER 550 HA SER 550 51.504 6.095 0.214 74 HB2 SER 550 HB2 SER 550 53.747 4.312 1.196 75 HB3 SER 550 HB1 SER 550 52.828 5.430 2.196 76 HG SER 550 HG SER 550 52.055 3.024 0.976 77 H GLY 551 HN GLY 551 52.151 8.097 -0.181 78 HA2 GLY 551 HA2 GLY 551 54.024 9.747 0.317 79 HA3 GLY 551 HA1 GLY 551 55.062 8.651 -0.609 80 H CYS 552 HN CYS 552 52.902 7.985 -2.490 81 HA CYS 552 HA CYS 552 52.988 10.468 -4.153 82 HB2 CYS 552 HB2 CYS 552 53.057 7.545 -4.733 83 HB3 CYS 552 HB1 CYS 552 52.210 8.567 -5.891 84 H GLN 553 HN GLN 553 50.893 8.062 -2.700 85 HA GLN 553 HA GLN 553 48.567 7.934 -2.512 86 HB2 GLN 553 HB2 GLN 553 48.854 10.892 -3.134 87 HB3 GLN 553 HB1 GLN 553 47.336 10.130 -2.667 88 HG2 GLN 553 HG2 GLN 553 48.206 10.938 -0.628 89 HG3 GLN 553 HG1 GLN 553 48.638 9.232 -0.620 90 HE21 GLN 553 HE21 GLN 553 50.656 9.215 0.429 91 HE22 GLN 553 HE22 GLN 553 51.986 10.157 -0.044 92 H LYS 554 HN LYS 554 49.939 7.472 -5.077 93 HA LYS 554 HA LYS 554 47.574 7.767 -6.865 94 HB2 LYS 554 HB2 LYS 554 50.482 8.276 -7.583 95 HB3 LYS 554 HB1 LYS 554 49.190 8.113 -8.771 96 HG2 LYS 554 HG2 LYS 554 49.196 10.162 -6.535 97 HG3 LYS 554 HG1 LYS 554 49.705 10.498 -8.189 98 HD2 LYS 554 HD2 LYS 554 47.403 9.607 -8.904 99 HD3 LYS 554 HD1 LYS 554 46.953 9.734 -7.205 100 HE2 LYS 554 HE2 LYS 554 48.131 12.050 -8.756 101 HE3 LYS 554 HE1 LYS 554 46.395 11.766 -8.639 102 HZ1 LYS 554 HZ1 LYS 554 46.471 11.995 -6.300 103 HZ2 LYS 554 HZ2 LYS 554 47.333 13.312 -6.939 104 HZ3 LYS 554 HZ3 LYS 554 48.167 11.990 -6.273 105 HA PRO 555 HA PRO 555 47.872 3.381 -7.211 106 HB2 PRO 555 HB2 PRO 555 47.556 3.703 -10.120 107 HB3 PRO 555 HB1 PRO 555 46.539 2.844 -8.958 108 HG2 PRO 555 HG2 PRO 555 45.937 5.301 -10.125 109 HG3 PRO 555 HG1 PRO 555 45.173 4.645 -8.675 110 HD2 PRO 555 HD2 PRO 555 46.978 6.922 -8.896 111 HD3 PRO 555 HD1 PRO 555 46.090 6.347 -7.462 112 H ILE 556 HN ILE 556 49.272 1.751 -7.921 113 HA ILE 556 HA ILE 556 51.835 2.725 -9.096 114 HB ILE 556 HB ILE 556 51.165 0.370 -7.307 115 HG12 ILE 556 HG12 ILE 556 53.119 2.591 -6.722 116 HG13 ILE 556 HG11 ILE 556 51.397 2.852 -6.466 117 HG21 ILE 556 HG21 ILE 556 53.753 0.184 -7.286 118 HG22 ILE 556 HG22 ILE 556 53.697 1.129 -8.774 119 HG23 ILE 556 HG23 ILE 556 52.903 -0.443 -8.698 120 HD11 ILE 556 HD11 ILE 556 51.758 1.932 -4.425 121 HD12 ILE 556 HD12 ILE 556 53.293 1.220 -4.917 122 HD13 ILE 556 HD13 ILE 556 51.780 0.393 -5.285 123 H THR 557 HN THR 557 51.408 2.447 -11.300 124 HA THR 557 HA THR 557 50.183 -0.025 -12.287 125 HB THR 557 HB THR 557 50.672 1.018 -14.544 126 HG1 THR 557 HG1 THR 557 52.392 2.299 -14.113 127 HG21 THR 557 HG21 THR 557 49.146 2.538 -12.420 128 HG22 THR 557 HG22 THR 557 48.509 1.401 -13.608 129 HG23 THR 557 HG23 THR 557 49.094 2.981 -14.126 130 H GLY 558 HN GLY 558 51.723 -1.590 -11.554 131 HA2 GLY 558 HA2 GLY 558 53.417 -2.856 -13.136 132 HA3 GLY 558 HA1 GLY 558 54.445 -1.476 -12.736 133 H ARG 559 HN ARG 559 55.951 -2.816 -11.569 134 HA ARG 559 HA ARG 559 55.248 -4.632 -9.495 135 HB2 ARG 559 HB2 ARG 559 57.683 -3.081 -10.248 136 HB3 ARG 559 HB1 ARG 559 57.616 -3.686 -8.594 137 HG2 ARG 559 HG2 ARG 559 56.782 -5.652 -10.624 138 HG3 ARG 559 HG1 ARG 559 58.467 -5.152 -10.761 139 HD2 ARG 559 HD2 ARG 559 58.293 -5.497 -8.076 140 HD3 ARG 559 HD1 ARG 559 57.114 -6.691 -8.607 141 HE ARG 559 HE ARG 559 59.899 -7.075 -8.664 142 HH11 ARG 559 HH11 ARG 559 60.974 -8.426 -10.093 143 HH12 ARG 559 HH12 ARG 559 60.193 -8.926 -11.555 144 HH21 ARG 559 HH21 ARG 559 57.272 -7.194 -10.914 145 HH22 ARG 559 HH22 ARG 559 58.109 -8.228 -12.019 146 H CYS 560 HN CYS 560 55.291 -4.257 -7.144 147 HA CYS 560 HA CYS 560 55.147 -1.470 -6.227 148 HB2 CYS 560 HB2 CYS 560 52.875 -1.564 -5.438 149 HB3 CYS 560 HB1 CYS 560 52.858 -2.013 -7.141 150 HG CYS 560 HG CYS 560 53.117 -4.513 -5.505 151 H ILE 561 HN ILE 561 55.766 -1.315 -4.145 152 HA ILE 561 HA ILE 561 56.426 -3.813 -2.710 153 HB ILE 561 HB ILE 561 56.896 -1.056 -1.602 154 HG12 ILE 561 HG12 ILE 561 57.594 -0.980 -3.996 155 HG13 ILE 561 HG11 ILE 561 58.969 -0.876 -2.905 156 HG21 ILE 561 HG21 ILE 561 58.118 -3.788 -1.388 157 HG22 ILE 561 HG22 ILE 561 57.649 -2.669 -0.108 158 HG23 ILE 561 HG23 ILE 561 59.110 -2.371 -1.050 159 HD11 ILE 561 HD11 ILE 561 59.410 -2.445 -4.766 160 HD12 ILE 561 HD12 ILE 561 58.019 -3.410 -4.273 161 HD13 ILE 561 HD13 ILE 561 59.420 -3.273 -3.210 162 H THR 562 HN THR 562 55.599 -4.257 -0.595 163 HA THR 562 HA THR 562 53.247 -2.606 0.232 164 HB THR 562 HB THR 562 53.407 -5.635 0.220 165 HG1 THR 562 HG1 THR 562 53.010 -4.617 -1.816 166 HG21 THR 562 HG21 THR 562 52.102 -5.093 2.097 167 HG22 THR 562 HG22 THR 562 50.899 -5.267 0.819 168 HG23 THR 562 HG23 THR 562 51.422 -3.660 1.326 169 H ALA 563 HN ALA 563 54.106 -1.662 2.033 170 HA ALA 563 HA ALA 563 55.799 -3.231 3.864 171 HB1 ALA 563 HB1 ALA 563 56.274 -0.823 3.285 172 HB2 ALA 563 HB2 ALA 563 56.158 -1.134 5.018 173 HB3 ALA 563 HB3 ALA 563 54.809 -0.383 4.164 174 H MET 564 HN MET 564 54.351 -1.242 5.925 175 HA MET 564 HA MET 564 52.713 -3.325 7.114 176 HB2 MET 564 HB2 MET 564 53.004 -0.377 7.748 177 HB3 MET 564 HB1 MET 564 52.115 -1.524 8.747 178 HG2 MET 564 HG2 MET 564 54.215 -2.886 8.948 179 HG3 MET 564 HG1 MET 564 55.074 -1.602 8.097 180 HE1 MET 564 HE1 MET 564 55.547 -2.957 10.856 181 HE2 MET 564 HE2 MET 564 55.873 -1.694 12.039 182 HE3 MET 564 HE3 MET 564 56.691 -1.661 10.480 183 H ALA 565 HN ALA 565 51.622 -3.296 4.809 184 HA ALA 565 HA ALA 565 49.496 -3.162 3.795 185 HB1 ALA 565 HB1 ALA 565 48.781 -2.648 6.326 186 HB2 ALA 565 HB2 ALA 565 47.664 -2.403 4.984 187 HB3 ALA 565 HB3 ALA 565 48.540 -1.031 5.663 188 H LYS 566 HN LYS 566 51.666 -0.663 4.464 189 HA LYS 566 HA LYS 566 50.392 1.303 2.662 190 HB2 LYS 566 HB2 LYS 566 52.621 1.288 4.607 191 HB3 LYS 566 HB1 LYS 566 52.897 2.279 3.175 192 HG2 LYS 566 HG2 LYS 566 50.670 3.365 3.566 193 HG3 LYS 566 HG1 LYS 566 50.541 2.461 5.075 194 HD2 LYS 566 HD2 LYS 566 52.861 4.297 4.418 195 HD3 LYS 566 HD1 LYS 566 51.447 4.803 5.342 196 HE2 LYS 566 HE2 LYS 566 52.594 4.077 7.159 197 HE3 LYS 566 HE1 LYS 566 52.159 2.459 6.608 198 HZ1 LYS 566 HZ1 LYS 566 54.660 3.949 6.050 199 HZ2 LYS 566 HZ2 LYS 566 54.221 2.531 5.223 200 HZ3 LYS 566 HZ3 LYS 566 54.490 2.491 6.900 201 H LYS 567 HN LYS 567 50.903 1.433 0.513 202 HA LYS 567 HA LYS 567 52.948 -0.439 -0.515 203 HB2 LYS 567 HB2 LYS 567 50.653 1.068 -1.738 204 HB3 LYS 567 HB1 LYS 567 51.933 0.422 -2.764 205 HG2 LYS 567 HG2 LYS 567 50.048 -1.179 -2.506 206 HG3 LYS 567 HG1 LYS 567 51.560 -1.824 -1.869 207 HD2 LYS 567 HD2 LYS 567 50.899 -1.521 0.367 208 HD3 LYS 567 HD1 LYS 567 49.663 -0.336 -0.062 209 HE2 LYS 567 HE2 LYS 567 48.202 -1.991 -0.910 210 HE3 LYS 567 HE1 LYS 567 49.488 -3.192 -1.009 211 HZ1 LYS 567 HZ1 LYS 567 47.787 -3.188 0.965 212 HZ2 LYS 567 HZ2 LYS 567 48.864 -2.042 1.611 213 HZ3 LYS 567 HZ3 LYS 567 49.413 -3.601 1.215 214 H PHE 568 HN PHE 568 54.232 0.446 -2.452 215 HA PHE 568 HA PHE 568 54.889 3.319 -2.355 216 HB2 PHE 568 HB2 PHE 568 56.834 1.167 -1.448 217 HB3 PHE 568 HB1 PHE 568 57.339 2.781 -1.927 218 HD1 PHE 568 HD1 PHE 568 55.640 0.769 0.636 219 HD2 PHE 568 HD2 PHE 568 56.780 4.740 -0.545 220 HE1 PHE 568 HE1 PHE 568 55.193 1.580 2.935 221 HE2 PHE 568 HE2 PHE 568 56.327 5.552 1.755 222 HZ PHE 568 HZ PHE 568 55.535 3.972 3.495 223 H HIS 569 HN HIS 569 55.681 3.923 -4.387 224 HA HIS 569 HA HIS 569 55.671 2.067 -6.558 225 HB2 HIS 569 HB2 HIS 569 56.920 4.790 -6.168 226 HB3 HIS 569 HB1 HIS 569 57.260 3.865 -7.626 227 HD2 HIS 569 HD2 HIS 569 54.607 3.009 -8.907 228 HE1 HIS 569 HE1 HIS 569 52.813 6.620 -7.648 229 HE2 HIS 569 HE2 HIS 569 52.586 4.622 -9.211 230 HA PRO 570 HA PRO 570 59.317 -0.293 -5.557 231 HB2 PRO 570 HB2 PRO 570 59.817 -0.339 -8.474 232 HB3 PRO 570 HB1 PRO 570 59.576 -1.681 -7.348 233 HG2 PRO 570 HG2 PRO 570 57.685 -0.853 -9.169 234 HG3 PRO 570 HG1 PRO 570 57.319 -1.723 -7.679 235 HD2 PRO 570 HD2 PRO 570 56.778 1.092 -8.358 236 HD3 PRO 570 HD1 PRO 570 56.096 0.100 -7.044 237 H GLU 571 HN GLU 571 59.311 2.690 -7.201 238 HA GLU 571 HA GLU 571 62.281 2.940 -7.018 239 HB2 GLU 571 HB2 GLU 571 62.002 4.889 -8.530 240 HB3 GLU 571 HB1 GLU 571 61.361 3.412 -9.251 241 HG2 GLU 571 HG2 GLU 571 59.093 4.034 -8.634 242 HG3 GLU 571 HG1 GLU 571 59.678 5.443 -7.756 243 H HIS 572 HN HIS 572 59.295 3.935 -5.608 244 HA HIS 572 HA HIS 572 60.576 6.302 -4.334 245 HB2 HIS 572 HB2 HIS 572 57.682 5.385 -4.376 246 HB3 HIS 572 HB1 HIS 572 58.265 6.809 -3.515 247 HD2 HIS 572 HD2 HIS 572 60.429 7.394 -6.228 248 HE1 HIS 572 HE1 HIS 572 56.767 8.426 -8.046 249 HE2 HIS 572 HE2 HIS 572 59.294 8.604 -8.227 250 H PHE 573 HN PHE 573 59.892 3.029 -3.750 251 HA PHE 573 HA PHE 573 59.566 3.199 -0.862 252 HB2 PHE 573 HB2 PHE 573 58.777 1.238 -2.191 253 HB3 PHE 573 HB1 PHE 573 60.449 0.874 -2.602 254 HD1 PHE 573 HD1 PHE 573 61.379 -0.863 -1.368 255 HD2 PHE 573 HD2 PHE 573 58.560 1.766 0.529 256 HE1 PHE 573 HE1 PHE 573 61.629 -2.123 0.753 257 HE2 PHE 573 HE2 PHE 573 58.810 0.505 2.648 258 HZ PHE 573 HZ PHE 573 60.343 -1.440 2.759 259 H VAL 574 HN VAL 574 61.340 4.556 -0.279 260 HA VAL 574 HA VAL 574 64.052 3.422 -0.762 261 HB VAL 574 HB VAL 574 64.892 5.654 -0.137 262 HG11 VAL 574 HG11 VAL 574 64.452 6.548 -2.201 263 HG12 VAL 574 HG12 VAL 574 62.708 6.342 -2.035 264 HG13 VAL 574 HG13 VAL 574 63.720 4.968 -2.479 265 HG21 VAL 574 HG21 VAL 574 61.942 6.273 0.241 266 HG22 VAL 574 HG22 VAL 574 63.216 7.491 0.198 267 HG23 VAL 574 HG23 VAL 574 63.187 6.292 1.490 268 H CYS 575 HN CYS 575 65.602 3.941 1.151 269 HA CYS 575 HA CYS 575 64.553 2.569 3.505 270 HB2 CYS 575 HB2 CYS 575 66.810 2.078 2.856 271 HB3 CYS 575 HB1 CYS 575 67.237 3.784 2.813 272 H ALA 576 HN ALA 576 63.796 3.534 5.345 273 HA ALA 576 HA ALA 576 63.512 6.423 5.466 274 HB1 ALA 576 HB1 ALA 576 62.967 4.207 7.456 275 HB2 ALA 576 HB2 ALA 576 61.793 5.113 6.501 276 HB3 ALA 576 HB3 ALA 576 62.660 5.906 7.815 277 H PHE 577 HN PHE 577 66.228 5.775 5.201 278 HA PHE 577 HA PHE 577 67.326 6.988 7.669 279 HB2 PHE 577 HB2 PHE 577 67.513 4.366 7.644 280 HB3 PHE 577 HB1 PHE 577 68.772 4.645 6.445 281 HD1 PHE 577 HD1 PHE 577 67.691 6.013 9.780 282 HD2 PHE 577 HD2 PHE 577 70.951 4.873 7.224 283 HE1 PHE 577 HE1 PHE 577 69.298 6.551 11.589 284 HE2 PHE 577 HE2 PHE 577 72.557 5.413 9.034 285 HZ PHE 577 HZ PHE 577 71.731 6.252 11.216 286 H CYS 578 HN CYS 578 68.448 5.484 4.635 287 HA CYS 578 HA CYS 578 70.130 7.885 4.119 288 HB2 CYS 578 HB2 CYS 578 70.955 6.366 2.187 289 HB3 CYS 578 HB1 CYS 578 71.404 5.912 3.829 290 H LEU 579 HN LEU 579 67.214 6.342 3.148 291 HA LEU 579 HA LEU 579 65.640 6.818 1.488 292 HB2 LEU 579 HB2 LEU 579 66.954 9.550 1.639 293 HB3 LEU 579 HB1 LEU 579 65.371 9.205 0.943 294 HG LEU 579 HG LEU 579 65.154 8.046 3.430 295 HD11 LEU 579 HD11 LEU 579 67.382 9.085 4.010 296 HD12 LEU 579 HD12 LEU 579 66.058 9.570 5.068 297 HD13 LEU 579 HD13 LEU 579 66.628 10.666 3.810 298 HD21 LEU 579 HD21 LEU 579 64.493 10.890 2.594 299 HD22 LEU 579 HD22 LEU 579 63.797 10.063 3.988 300 HD23 LEU 579 HD23 LEU 579 63.472 9.470 2.360 301 H LYS 580 HN LYS 580 68.517 6.050 0.694 302 HA LYS 580 HA LYS 580 68.997 7.360 -1.850 303 HB2 LYS 580 HB2 LYS 580 70.653 5.567 -2.204 304 HB3 LYS 580 HB1 LYS 580 70.803 6.236 -0.580 305 HG2 LYS 580 HG2 LYS 580 69.189 4.319 0.126 306 HG3 LYS 580 HG1 LYS 580 69.625 3.590 -1.419 307 HD2 LYS 580 HD2 LYS 580 72.047 4.457 -0.213 308 HD3 LYS 580 HD1 LYS 580 71.123 3.621 1.035 309 HE2 LYS 580 HE2 LYS 580 72.422 1.947 -0.096 310 HE3 LYS 580 HE1 LYS 580 70.754 1.749 -0.636 311 HZ1 LYS 580 HZ1 LYS 580 71.417 2.085 -2.706 312 HZ2 LYS 580 HZ2 LYS 580 73.025 2.264 -2.185 313 HZ3 LYS 580 HZ3 LYS 580 72.008 3.621 -2.297 314 H GLN 581 HN GLN 581 67.778 4.130 -0.975 315 HA GLN 581 HA GLN 581 65.644 4.050 -2.819 316 HB2 GLN 581 HB2 GLN 581 68.059 3.836 -4.193 317 HB3 GLN 581 HB1 GLN 581 67.581 2.159 -3.958 318 HG2 GLN 581 HG2 GLN 581 65.295 3.766 -4.731 319 HG3 GLN 581 HG1 GLN 581 66.597 3.940 -5.905 320 HE21 GLN 581 HE21 GLN 581 64.339 1.650 -4.465 321 HE22 GLN 581 HE22 GLN 581 64.640 0.385 -5.553 322 H LEU 582 HN LEU 582 64.651 1.851 -2.762 323 HA LEU 582 HA LEU 582 66.002 -0.134 -1.080 324 HB2 LEU 582 HB2 LEU 582 64.818 1.700 0.384 325 HB3 LEU 582 HB1 LEU 582 63.353 0.821 -0.047 326 HG LEU 582 HG LEU 582 64.510 -1.284 0.730 327 HD11 LEU 582 HD11 LEU 582 66.702 0.547 0.933 328 HD12 LEU 582 HD12 LEU 582 66.694 -1.189 1.236 329 HD13 LEU 582 HD13 LEU 582 66.330 -0.064 2.543 330 HD21 LEU 582 HD21 LEU 582 63.639 1.001 2.420 331 HD22 LEU 582 HD22 LEU 582 64.458 -0.319 3.254 332 HD23 LEU 582 HD23 LEU 582 62.993 -0.636 2.327 333 H ASN 583 HN ASN 583 64.986 -2.149 -1.073 334 HA ASN 583 HA ASN 583 62.550 -2.488 -2.737 335 HB2 ASN 583 HB2 ASN 583 63.595 -4.347 -3.960 336 HB3 ASN 583 HB1 ASN 583 64.519 -2.869 -4.217 337 HD21 ASN 583 HD21 ASN 583 66.456 -2.592 -2.642 338 HD22 ASN 583 HD22 ASN 583 67.303 -3.997 -2.207 339 H LYS 584 HN LYS 584 61.157 -3.654 -1.508 340 HA LYS 584 HA LYS 584 61.627 -4.696 1.013 341 HB2 LYS 584 HB2 LYS 584 59.385 -4.807 0.612 342 HB3 LYS 584 HB1 LYS 584 59.609 -5.215 -1.090 343 HG2 LYS 584 HG2 LYS 584 59.929 -7.497 -0.640 344 HG3 LYS 584 HG1 LYS 584 60.334 -7.203 1.048 345 HD2 LYS 584 HD2 LYS 584 57.595 -6.855 -0.192 346 HD3 LYS 584 HD1 LYS 584 58.120 -8.192 0.830 347 HE2 LYS 584 HE2 LYS 584 57.218 -6.903 2.496 348 HE3 LYS 584 HE1 LYS 584 58.797 -6.121 2.430 349 HZ1 LYS 584 HZ1 LYS 584 57.393 -4.891 0.461 350 HZ2 LYS 584 HZ2 LYS 584 57.659 -4.270 2.020 351 HZ3 LYS 584 HZ3 LYS 584 56.223 -5.109 1.670 352 H GLY 585 HN GLY 585 61.875 -6.473 -2.052 353 HA2 GLY 585 HA2 GLY 585 62.360 -9.048 -1.327 354 HA3 GLY 585 HA1 GLY 585 63.308 -8.276 -2.587 355 H THR 586 HN THR 586 64.527 -6.361 -0.638 356 HA THR 586 HA THR 586 66.105 -8.208 1.076 357 HB THR 586 HB THR 586 68.224 -7.324 0.258 358 HG1 THR 586 HG1 THR 586 66.679 -5.895 -1.639 359 HG21 THR 586 HG21 THR 586 67.259 -9.265 -0.928 360 HG22 THR 586 HG22 THR 586 68.190 -8.247 -2.027 361 HG23 THR 586 HG23 THR 586 66.427 -8.173 -2.036 362 H PHE 587 HN PHE 587 64.095 -6.108 1.684 363 HA PHE 587 HA PHE 587 65.871 -4.048 2.924 364 HB2 PHE 587 HB2 PHE 587 64.181 -2.539 2.731 365 HB3 PHE 587 HB1 PHE 587 63.549 -3.654 1.536 366 HD1 PHE 587 HD1 PHE 587 62.584 -1.751 4.219 367 HD2 PHE 587 HD2 PHE 587 62.300 -5.803 2.820 368 HE1 PHE 587 HE1 PHE 587 60.568 -2.096 5.620 369 HE2 PHE 587 HE2 PHE 587 60.285 -6.145 4.221 370 HZ PHE 587 HZ PHE 587 59.419 -4.292 5.621 371 H LYS 588 HN LYS 588 64.860 -3.252 5.067 372 HA LYS 588 HA LYS 588 63.864 -5.462 6.771 373 HB2 LYS 588 HB2 LYS 588 66.443 -3.927 7.138 374 HB3 LYS 588 HB1 LYS 588 65.597 -4.609 8.522 375 HG2 LYS 588 HG2 LYS 588 66.351 -6.260 6.097 376 HG3 LYS 588 HG1 LYS 588 67.410 -6.078 7.494 377 HD2 LYS 588 HD2 LYS 588 66.296 -7.764 8.484 378 HD3 LYS 588 HD1 LYS 588 64.884 -6.711 8.566 379 HE2 LYS 588 HE2 LYS 588 64.072 -7.507 6.446 380 HE3 LYS 588 HE1 LYS 588 65.572 -8.377 6.132 381 HZ1 LYS 588 HZ1 LYS 588 63.660 -9.746 6.977 382 HZ2 LYS 588 HZ2 LYS 588 63.846 -8.954 8.469 383 HZ3 LYS 588 HZ3 LYS 588 65.110 -9.901 7.843 384 H GLU 589 HN GLU 589 63.132 -4.443 8.945 385 HA GLU 589 HA GLU 589 62.516 -1.555 8.593 386 HB2 GLU 589 HB2 GLU 589 60.230 -1.807 8.878 387 HB3 GLU 589 HB1 GLU 589 60.606 -3.267 7.963 388 HG2 GLU 589 HG2 GLU 589 60.984 -4.316 10.350 389 HG3 GLU 589 HG1 GLU 589 59.978 -2.971 10.886 390 H GLN 590 HN GLN 590 62.244 -0.403 10.511 391 HA GLN 590 HA GLN 590 62.490 -1.771 13.102 392 HB2 GLN 590 HB2 GLN 590 64.850 -1.385 12.150 393 HB3 GLN 590 HB1 GLN 590 64.522 0.335 12.336 394 HG2 GLN 590 HG2 GLN 590 65.631 -0.320 14.338 395 HG3 GLN 590 HG1 GLN 590 63.929 -0.175 14.769 396 HE21 GLN 590 HE21 GLN 590 65.440 -2.871 12.959 397 HE22 GLN 590 HE22 GLN 590 65.091 -4.056 14.123 398 H ASN 591 HN ASN 591 61.698 -0.430 14.774 399 HA ASN 591 HA ASN 591 60.404 1.302 15.667 400 HB2 ASN 591 HB2 ASN 591 62.254 2.785 13.798 401 HB3 ASN 591 HB1 ASN 591 61.084 3.624 14.810 402 HD21 ASN 591 HD21 ASN 591 64.255 2.510 14.772 403 HD22 ASN 591 HD22 ASN 591 64.532 2.447 16.445 404 H ASP 592 HN ASP 592 59.570 -0.062 13.024 405 HA ASP 592 HA ASP 592 57.533 0.040 11.832 406 HB2 ASP 592 HB2 ASP 592 56.958 1.703 13.863 407 HB3 ASP 592 HB1 ASP 592 57.003 2.882 12.550 408 H LYS 593 HN LYS 593 60.200 0.986 10.826 409 HA LYS 593 HA LYS 593 59.116 2.390 8.457 410 HB2 LYS 593 HB2 LYS 593 61.642 3.600 8.928 411 HB3 LYS 593 HB1 LYS 593 60.058 4.366 8.933 412 HG2 LYS 593 HG2 LYS 593 59.840 3.572 11.359 413 HG3 LYS 593 HG1 LYS 593 61.564 3.213 11.280 414 HD2 LYS 593 HD2 LYS 593 61.974 5.577 10.564 415 HD3 LYS 593 HD1 LYS 593 60.260 5.908 10.816 416 HE2 LYS 593 HE2 LYS 593 61.187 6.564 12.861 417 HE3 LYS 593 HE1 LYS 593 60.684 4.909 13.200 418 HZ1 LYS 593 HZ1 LYS 593 62.801 4.680 13.858 419 HZ2 LYS 593 HZ2 LYS 593 63.344 6.027 12.978 420 HZ3 LYS 593 HZ3 LYS 593 63.137 4.529 12.202 421 HA PRO 594 HA PRO 594 61.784 -0.391 6.319 422 HB2 PRO 594 HB2 PRO 594 62.453 1.132 4.138 423 HB3 PRO 594 HB1 PRO 594 60.885 0.350 4.363 424 HG2 PRO 594 HG2 PRO 594 61.634 3.212 4.707 425 HG3 PRO 594 HG1 PRO 594 60.116 2.508 4.149 426 HD2 PRO 594 HD2 PRO 594 60.520 3.533 6.703 427 HD3 PRO 594 HD1 PRO 594 59.272 2.330 6.291 428 H TYR 595 HN TYR 595 63.921 -0.870 5.810 429 HA TYR 595 HA TYR 595 66.056 1.123 5.949 430 HB2 TYR 595 HB2 TYR 595 65.694 -0.963 8.131 431 HB3 TYR 595 HB1 TYR 595 67.211 -0.119 7.841 432 HD1 TYR 595 HD1 TYR 595 67.279 2.403 8.026 433 HD2 TYR 595 HD2 TYR 595 63.909 0.077 9.309 434 HE1 TYR 595 HE1 TYR 595 66.461 4.324 9.367 435 HE2 TYR 595 HE2 TYR 595 63.094 1.996 10.643 436 HH TYR 595 HH TYR 595 64.302 5.135 10.279 437 H CYS 596 HN CYS 596 67.526 0.380 4.434 438 HA CYS 596 HA CYS 596 67.273 -2.069 3.071 439 HB2 CYS 596 HB2 CYS 596 70.061 -1.111 3.420 440 HB3 CYS 596 HB1 CYS 596 69.175 -1.467 1.940 441 H GLN 597 HN GLN 597 68.155 -4.125 3.397 442 HA GLN 597 HA GLN 597 68.477 -5.096 6.005 443 HB2 GLN 597 HB2 GLN 597 68.326 -6.900 4.613 444 HB3 GLN 597 HB1 GLN 597 69.078 -6.029 3.282 445 HG2 GLN 597 HG2 GLN 597 70.494 -7.911 3.951 446 HG3 GLN 597 HG1 GLN 597 71.305 -6.392 4.317 447 HE21 GLN 597 HE21 GLN 597 68.682 -7.059 6.461 448 HE22 GLN 597 HE22 GLN 597 69.604 -7.641 7.761 449 H ASN 598 HN ASN 598 70.863 -3.713 3.808 450 HA ASN 598 HA ASN 598 73.175 -4.207 5.452 451 HB2 ASN 598 HB2 ASN 598 73.401 -3.601 3.081 452 HB3 ASN 598 HB1 ASN 598 72.642 -2.040 3.391 453 HD21 ASN 598 HD21 ASN 598 75.507 -4.002 4.336 454 HD22 ASN 598 HD22 ASN 598 76.503 -2.667 4.659 455 H CYS 599 HN CYS 599 70.809 -1.583 5.222 456 HA CYS 599 HA CYS 599 72.090 0.155 7.148 457 HB2 CYS 599 HB2 CYS 599 69.387 -0.019 5.871 458 HB3 CYS 599 HB1 CYS 599 69.514 0.893 7.371 459 H PHE 600 HN PHE 600 69.177 -1.928 7.433 460 HA PHE 600 HA PHE 600 68.839 -1.856 10.222 461 HB2 PHE 600 HB2 PHE 600 67.225 -3.031 8.896 462 HB3 PHE 600 HB1 PHE 600 68.452 -4.077 8.195 463 HD1 PHE 600 HD1 PHE 600 66.250 -3.504 11.053 464 HD2 PHE 600 HD2 PHE 600 69.522 -5.861 9.568 465 HE1 PHE 600 HE1 PHE 600 65.860 -5.178 12.841 466 HE2 PHE 600 HE2 PHE 600 69.133 -7.529 11.359 467 HZ PHE 600 HZ PHE 600 67.301 -7.189 12.994 468 H LEU 601 HN LEU 601 70.943 -3.938 8.282 469 HA LEU 601 HA LEU 601 72.137 -5.426 10.400 470 HB2 LEU 601 HB2 LEU 601 72.374 -6.046 8.047 471 HB3 LEU 601 HB1 LEU 601 73.213 -4.540 7.705 472 HG LEU 601 HG LEU 601 74.937 -5.312 9.465 473 HD11 LEU 601 HD11 LEU 601 73.517 -7.929 8.876 474 HD12 LEU 601 HD12 LEU 601 73.571 -7.112 10.438 475 HD13 LEU 601 HD13 LEU 601 75.048 -7.776 9.740 476 HD21 LEU 601 HD21 LEU 601 74.497 -6.579 6.761 477 HD22 LEU 601 HD22 LEU 601 75.940 -6.934 7.714 478 HD23 LEU 601 HD23 LEU 601 75.608 -5.280 7.197 479 H LYS 602 HN LYS 602 72.566 -2.195 9.223 480 HA LYS 602 HA LYS 602 75.062 -1.712 10.713 481 HB2 LYS 602 HB2 LYS 602 73.973 -0.642 8.417 482 HB3 LYS 602 HB1 LYS 602 73.589 0.591 9.610 483 HG2 LYS 602 HG2 LYS 602 75.723 1.197 8.797 484 HG3 LYS 602 HG1 LYS 602 76.043 0.411 10.343 485 HD2 LYS 602 HD2 LYS 602 77.613 -0.553 8.839 486 HD3 LYS 602 HD1 LYS 602 76.337 -1.760 8.992 487 HE2 LYS 602 HE2 LYS 602 75.468 -1.306 6.868 488 HE3 LYS 602 HE1 LYS 602 76.173 0.310 6.816 489 HZ1 LYS 602 HZ1 LYS 602 77.445 -1.058 5.389 490 HZ2 LYS 602 HZ2 LYS 602 77.583 -2.285 6.556 491 HZ3 LYS 602 HZ3 LYS 602 78.389 -0.805 6.776 492 H LEU 603 HN LEU 603 71.619 -0.859 10.884 493 HA LEU 603 HA LEU 603 72.021 0.817 13.257 494 HB2 LEU 603 HB2 LEU 603 69.324 -0.155 12.359 495 HB3 LEU 603 HB1 LEU 603 69.767 1.392 13.064 496 HG LEU 603 HG LEU 603 70.357 0.446 10.255 497 HD11 LEU 603 HD11 LEU 603 68.680 2.711 11.360 498 HD12 LEU 603 HD12 LEU 603 68.071 1.240 10.600 499 HD13 LEU 603 HD13 LEU 603 68.977 2.416 9.647 500 HD21 LEU 603 HD21 LEU 603 72.285 1.705 10.980 501 HD22 LEU 603 HD22 LEU 603 71.264 2.927 11.738 502 HD23 LEU 603 HD23 LEU 603 71.306 2.778 9.981 503 H PHE 604 HN PHE 604 70.192 -2.171 12.575 504 HA PHE 604 HA PHE 604 69.757 -2.746 15.374 505 HB2 PHE 604 HB2 PHE 604 68.453 -3.552 13.238 506 HB3 PHE 604 HB1 PHE 604 69.639 -4.857 13.241 507 HD1 PHE 604 HD1 PHE 604 69.431 -6.682 14.734 508 HD2 PHE 604 HD2 PHE 604 67.130 -3.114 15.391 509 HE1 PHE 604 HE1 PHE 604 68.162 -7.830 16.528 510 HE2 PHE 604 HE2 PHE 604 65.861 -4.263 17.185 511 HZ PHE 604 HZ PHE 604 66.376 -6.621 17.754 512 H CYS 605 HN CYS 605 72.377 -3.323 13.191 513 HA CYS 605 HA CYS 605 73.774 -4.821 15.343 514 HB2 CYS 605 HB2 CYS 605 72.658 -6.350 13.512 515 HB3 CYS 605 HB1 CYS 605 74.023 -5.833 12.523 516 HG CYS 605 HG CYS 605 75.527 -6.704 14.671 Start of MODEL 19 1 H TYR 541 HT1 TYR 541 46.711 -5.853 -17.368 2 HA TYR 541 HA TYR 541 46.011 -3.928 -18.412 3 HB2 TYR 541 HB2 TYR 541 43.710 -5.020 -16.762 4 HB3 TYR 541 HB1 TYR 541 43.507 -3.931 -18.133 5 HD1 TYR 541 HD1 TYR 541 44.239 -7.346 -17.079 6 HD2 TYR 541 HD2 TYR 541 44.207 -4.649 -20.423 7 HE1 TYR 541 HE1 TYR 541 44.372 -9.272 -18.635 8 HE2 TYR 541 HE2 TYR 541 44.340 -6.576 -21.978 9 HH TYR 541 HH TYR 541 43.554 -9.296 -21.601 10 H HIS 542 HN HIS 542 44.261 -1.990 -18.004 11 HA HIS 542 HA HIS 542 45.554 -0.221 -16.125 12 HB2 HIS 542 HB2 HIS 542 42.893 0.113 -17.545 13 HB3 HIS 542 HB1 HIS 542 43.846 1.395 -16.804 14 HD1 HIS 542 HD1 HIS 542 45.950 2.209 -18.053 15 HD2 HIS 542 HD2 HIS 542 43.967 -0.895 -20.005 16 HE1 HIS 542 HE1 HIS 542 46.967 2.053 -20.368 17 H GLU 543 HN GLU 543 44.251 0.969 -14.414 18 HA GLU 543 HA GLU 543 42.226 -0.797 -13.106 19 HB2 GLU 543 HB2 GLU 543 44.437 0.647 -11.615 20 HB3 GLU 543 HB1 GLU 543 43.271 -0.496 -10.950 21 HG2 GLU 543 HG2 GLU 543 44.229 -2.300 -12.318 22 HG3 GLU 543 HG1 GLU 543 45.372 -1.164 -13.037 23 H ARG 544 HN ARG 544 40.903 0.428 -11.495 24 HA ARG 544 HA ARG 544 40.001 2.938 -12.559 25 HB2 ARG 544 HB2 ARG 544 39.387 1.259 -10.183 26 HB3 ARG 544 HB1 ARG 544 38.977 2.969 -10.054 27 HG2 ARG 544 HG2 ARG 544 38.218 1.446 -12.533 28 HG3 ARG 544 HG1 ARG 544 37.232 1.296 -11.082 29 HD2 ARG 544 HD2 ARG 544 36.181 3.152 -11.878 30 HD3 ARG 544 HD1 ARG 544 37.566 4.008 -11.201 31 HE ARG 544 HE ARG 544 38.403 3.284 -13.747 32 HH11 ARG 544 HH11 ARG 544 38.106 4.600 -15.551 33 HH12 ARG 544 HH12 ARG 544 36.832 5.773 -15.555 34 HH21 ARG 544 HH21 ARG 544 35.715 4.966 -12.378 35 HH22 ARG 544 HH22 ARG 544 35.481 5.980 -13.762 36 H ARG 545 HN ARG 545 41.891 2.128 -9.644 37 HA ARG 545 HA ARG 545 42.919 4.936 -9.642 38 HB2 ARG 545 HB2 ARG 545 42.651 3.309 -7.127 39 HB3 ARG 545 HB1 ARG 545 42.760 5.060 -7.307 40 HG2 ARG 545 HG2 ARG 545 40.525 4.883 -8.575 41 HG3 ARG 545 HG1 ARG 545 40.408 3.264 -7.889 42 HD2 ARG 545 HD2 ARG 545 40.822 4.333 -5.620 43 HD3 ARG 545 HD1 ARG 545 40.593 5.890 -6.404 44 HE ARG 545 HE ARG 545 38.514 4.171 -5.499 45 HH11 ARG 545 HH11 ARG 545 36.437 4.161 -6.332 46 HH12 ARG 545 HH12 ARG 545 36.116 4.932 -7.849 47 HH21 ARG 545 HH21 ARG 545 39.381 5.963 -8.327 48 HH22 ARG 545 HH22 ARG 545 37.778 5.941 -8.977 49 H GLY 546 HN GLY 546 43.594 1.794 -8.087 50 HA2 GLY 546 HA2 GLY 546 45.608 0.500 -8.676 51 HA3 GLY 546 HA1 GLY 546 46.411 2.027 -9.036 52 H SER 547 HN SER 547 47.535 3.018 -7.418 53 HA SER 547 HA SER 547 46.905 2.762 -4.616 54 HB2 SER 547 HB2 SER 547 48.631 0.729 -5.805 55 HB3 SER 547 HB1 SER 547 49.455 1.615 -4.527 56 HG SER 547 HG SER 547 46.886 0.407 -4.345 57 H LEU 548 HN LEU 548 47.561 4.732 -3.891 58 HA LEU 548 HA LEU 548 49.439 6.346 -5.375 59 HB2 LEU 548 HB2 LEU 548 47.952 6.647 -2.791 60 HB3 LEU 548 HB1 LEU 548 49.293 7.734 -3.130 61 HG LEU 548 HG LEU 548 48.261 8.448 -5.214 62 HD11 LEU 548 HD11 LEU 548 45.881 7.611 -5.672 63 HD12 LEU 548 HD12 LEU 548 46.242 6.303 -4.546 64 HD13 LEU 548 HD13 LEU 548 47.193 6.487 -6.020 65 HD21 LEU 548 HD21 LEU 548 46.169 8.422 -3.018 66 HD22 LEU 548 HD22 LEU 548 46.321 9.605 -4.316 67 HD23 LEU 548 HD23 LEU 548 47.550 9.518 -3.055 68 H CYS 549 HN CYS 549 51.594 6.700 -5.002 69 HA CYS 549 HA CYS 549 53.009 4.809 -3.272 70 HB2 CYS 549 HB2 CYS 549 54.328 5.170 -5.121 71 HB3 CYS 549 HB1 CYS 549 53.726 6.805 -5.362 72 H SER 550 HN SER 550 53.004 5.271 -1.115 73 HA SER 550 HA SER 550 52.417 7.755 0.047 74 HB2 SER 550 HB2 SER 550 54.328 5.679 1.156 75 HB3 SER 550 HB1 SER 550 53.512 6.932 2.082 76 HG SER 550 HG SER 550 52.485 4.622 0.856 77 H GLY 551 HN GLY 551 53.416 9.592 -0.396 78 HA2 GLY 551 HA2 GLY 551 55.572 10.877 0.096 79 HA3 GLY 551 HA1 GLY 551 56.377 9.601 -0.831 80 H CYS 552 HN CYS 552 54.187 9.287 -2.705 81 HA CYS 552 HA CYS 552 54.630 11.727 -4.375 82 HB2 CYS 552 HB2 CYS 552 54.176 8.823 -4.967 83 HB3 CYS 552 HB1 CYS 552 53.644 10.019 -6.147 84 H GLN 553 HN GLN 553 52.220 9.649 -2.907 85 HA GLN 553 HA GLN 553 49.900 9.840 -2.726 86 HB2 GLN 553 HB2 GLN 553 50.772 12.699 -3.136 87 HB3 GLN 553 HB1 GLN 553 49.061 12.294 -3.020 88 HG2 GLN 553 HG2 GLN 553 50.210 12.917 -0.823 89 HG3 GLN 553 HG1 GLN 553 49.319 11.401 -0.822 90 HE21 GLN 553 HE21 GLN 553 52.483 12.818 -0.508 91 HE22 GLN 553 HE22 GLN 553 53.330 11.376 -0.233 92 H LYS 554 HN LYS 554 51.178 9.195 -5.268 93 HA LYS 554 HA LYS 554 48.904 9.844 -7.082 94 HB2 LYS 554 HB2 LYS 554 51.867 9.922 -7.748 95 HB3 LYS 554 HB1 LYS 554 50.598 9.899 -8.971 96 HG2 LYS 554 HG2 LYS 554 50.825 11.994 -6.789 97 HG3 LYS 554 HG1 LYS 554 51.408 12.210 -8.439 98 HD2 LYS 554 HD2 LYS 554 48.978 11.533 -9.124 99 HD3 LYS 554 HD1 LYS 554 48.576 11.948 -7.458 100 HE2 LYS 554 HE2 LYS 554 49.550 14.193 -7.777 101 HE3 LYS 554 HE1 LYS 554 49.955 13.781 -9.444 102 HZ1 LYS 554 HZ1 LYS 554 47.244 13.961 -8.251 103 HZ2 LYS 554 HZ2 LYS 554 47.555 13.345 -9.804 104 HZ3 LYS 554 HZ3 LYS 554 47.907 14.969 -9.444 105 HA PRO 555 HA PRO 555 48.521 5.465 -7.433 106 HB2 PRO 555 HB2 PRO 555 48.426 5.817 -10.359 107 HB3 PRO 555 HB1 PRO 555 47.229 5.114 -9.264 108 HG2 PRO 555 HG2 PRO 555 47.052 7.630 -10.437 109 HG3 PRO 555 HG1 PRO 555 46.134 7.101 -9.026 110 HD2 PRO 555 HD2 PRO 555 48.265 9.085 -9.157 111 HD3 PRO 555 HD1 PRO 555 47.237 8.653 -7.767 112 H ILE 556 HN ILE 556 49.680 3.626 -8.049 113 HA ILE 556 HA ILE 556 52.430 4.163 -9.070 114 HB ILE 556 HB ILE 556 51.284 1.997 -7.288 115 HG12 ILE 556 HG12 ILE 556 53.564 3.865 -6.659 116 HG13 ILE 556 HG11 ILE 556 51.900 4.416 -6.483 117 HG21 ILE 556 HG21 ILE 556 54.046 2.291 -8.507 118 HG22 ILE 556 HG22 ILE 556 52.938 0.933 -8.687 119 HG23 ILE 556 HG23 ILE 556 53.701 1.246 -7.130 120 HD11 ILE 556 HD11 ILE 556 52.257 1.781 -5.304 121 HD12 ILE 556 HD12 ILE 556 51.642 3.260 -4.566 122 HD13 ILE 556 HD13 ILE 556 53.376 2.950 -4.605 123 H THR 557 HN THR 557 52.131 3.900 -11.290 124 HA THR 557 HA THR 557 50.580 1.661 -12.356 125 HB THR 557 HB THR 557 51.446 2.514 -14.564 126 HG1 THR 557 HG1 THR 557 53.407 3.356 -13.612 127 HG21 THR 557 HG21 THR 557 50.402 4.908 -14.137 128 HG22 THR 557 HG22 THR 557 49.998 4.218 -12.564 129 HG23 THR 557 HG23 THR 557 49.393 3.465 -14.040 130 H GLY 558 HN GLY 558 51.431 -0.338 -12.204 131 HA2 GLY 558 HA2 GLY 558 53.095 -1.873 -13.285 132 HA3 GLY 558 HA1 GLY 558 54.339 -0.716 -12.801 133 H ARG 559 HN ARG 559 55.435 -2.286 -11.462 134 HA ARG 559 HA ARG 559 54.167 -3.849 -9.457 135 HB2 ARG 559 HB2 ARG 559 56.953 -2.786 -9.840 136 HB3 ARG 559 HB1 ARG 559 56.523 -3.654 -8.368 137 HG2 ARG 559 HG2 ARG 559 57.287 -5.346 -9.799 138 HG3 ARG 559 HG1 ARG 559 55.543 -5.451 -9.946 139 HD2 ARG 559 HD2 ARG 559 55.640 -4.969 -12.135 140 HD3 ARG 559 HD1 ARG 559 56.579 -3.517 -11.814 141 HE ARG 559 HE ARG 559 57.604 -5.866 -12.995 142 HH11 ARG 559 HH11 ARG 559 59.758 -6.473 -12.925 143 HH12 ARG 559 HH12 ARG 559 60.803 -5.793 -11.725 144 HH21 ARG 559 HH21 ARG 559 58.342 -3.828 -10.298 145 HH22 ARG 559 HH22 ARG 559 60.004 -4.303 -10.242 146 H CYS 560 HN CYS 560 54.630 -3.412 -7.030 147 HA CYS 560 HA CYS 560 54.777 -0.614 -6.227 148 HB2 CYS 560 HB2 CYS 560 52.519 -0.412 -5.351 149 HB3 CYS 560 HB1 CYS 560 52.429 -0.796 -7.069 150 HG CYS 560 HG CYS 560 52.331 -3.404 -5.729 151 H ILE 561 HN ILE 561 55.443 -0.478 -4.154 152 HA ILE 561 HA ILE 561 55.766 -3.007 -2.651 153 HB ILE 561 HB ILE 561 56.691 -0.313 -1.679 154 HG12 ILE 561 HG12 ILE 561 57.341 -0.486 -4.086 155 HG13 ILE 561 HG11 ILE 561 58.735 -0.532 -3.014 156 HG21 ILE 561 HG21 ILE 561 58.674 -1.980 -1.109 157 HG22 ILE 561 HG22 ILE 561 57.410 -3.193 -1.305 158 HG23 ILE 561 HG23 ILE 561 57.228 -1.916 -0.101 159 HD11 ILE 561 HD11 ILE 561 57.383 -2.954 -4.242 160 HD12 ILE 561 HD12 ILE 561 58.782 -2.996 -3.169 161 HD13 ILE 561 HD13 ILE 561 58.917 -2.258 -4.764 162 H THR 562 HN THR 562 54.963 -3.254 -0.502 163 HA THR 562 HA THR 562 52.884 -1.267 0.320 164 HB THR 562 HB THR 562 52.687 -4.291 0.465 165 HG1 THR 562 HG1 THR 562 52.301 -3.229 -1.590 166 HG21 THR 562 HG21 THR 562 51.525 -3.600 2.358 167 HG22 THR 562 HG22 THR 562 50.253 -3.532 1.139 168 HG23 THR 562 HG23 THR 562 51.073 -2.053 1.641 169 H ALA 563 HN ALA 563 53.861 -0.341 2.058 170 HA ALA 563 HA ALA 563 55.462 -1.996 3.910 171 HB1 ALA 563 HB1 ALA 563 56.130 0.100 4.910 172 HB2 ALA 563 HB2 ALA 563 54.839 0.964 4.074 173 HB3 ALA 563 HB3 ALA 563 56.193 0.302 3.159 174 H MET 564 HN MET 564 54.364 0.269 5.899 175 HA MET 564 HA MET 564 52.538 -1.518 7.278 176 HB2 MET 564 HB2 MET 564 53.184 1.412 7.706 177 HB3 MET 564 HB1 MET 564 52.233 0.427 8.815 178 HG2 MET 564 HG2 MET 564 54.171 -1.117 9.064 179 HG3 MET 564 HG1 MET 564 55.122 -0.056 8.024 180 HE1 MET 564 HE1 MET 564 56.738 -0.276 10.581 181 HE2 MET 564 HE2 MET 564 55.313 -1.236 10.972 182 HE3 MET 564 HE3 MET 564 55.842 0.031 12.075 183 H ALA 565 HN ALA 565 51.360 -1.498 5.010 184 HA ALA 565 HA ALA 565 49.233 -1.159 4.050 185 HB1 ALA 565 HB1 ALA 565 48.589 1.153 5.832 186 HB2 ALA 565 HB2 ALA 565 48.684 -0.442 6.579 187 HB3 ALA 565 HB3 ALA 565 47.546 -0.150 5.264 188 H LYS 566 HN LYS 566 51.705 1.079 4.514 189 HA LYS 566 HA LYS 566 50.612 3.124 2.686 190 HB2 LYS 566 HB2 LYS 566 52.942 2.870 4.505 191 HB3 LYS 566 HB1 LYS 566 53.229 3.799 3.035 192 HG2 LYS 566 HG2 LYS 566 51.229 5.185 3.541 193 HG3 LYS 566 HG1 LYS 566 51.004 4.283 5.040 194 HD2 LYS 566 HD2 LYS 566 53.628 5.641 4.430 195 HD3 LYS 566 HD1 LYS 566 52.294 6.532 5.162 196 HE2 LYS 566 HE2 LYS 566 52.409 5.360 7.145 197 HE3 LYS 566 HE1 LYS 566 53.007 3.894 6.367 198 HZ1 LYS 566 HZ1 LYS 566 55.093 5.267 5.920 199 HZ2 LYS 566 HZ2 LYS 566 54.836 4.721 7.508 200 HZ3 LYS 566 HZ3 LYS 566 54.501 6.335 7.097 201 H LYS 567 HN LYS 567 51.120 3.208 0.523 202 HA LYS 567 HA LYS 567 52.768 0.994 -0.549 203 HB2 LYS 567 HB2 LYS 567 50.744 2.885 -1.718 204 HB3 LYS 567 HB1 LYS 567 51.860 2.020 -2.774 205 HG2 LYS 567 HG2 LYS 567 49.702 0.802 -2.431 206 HG3 LYS 567 HG1 LYS 567 51.109 -0.120 -1.896 207 HD2 LYS 567 HD2 LYS 567 50.657 0.279 0.388 208 HD3 LYS 567 HD1 LYS 567 49.592 1.640 0.028 209 HE2 LYS 567 HE2 LYS 567 47.809 0.284 -0.537 210 HE3 LYS 567 HE1 LYS 567 48.848 -1.040 -1.059 211 HZ1 LYS 567 HZ1 LYS 567 47.608 -1.338 1.113 212 HZ2 LYS 567 HZ2 LYS 567 48.688 -0.204 1.773 213 HZ3 LYS 567 HZ3 LYS 567 49.271 -1.668 1.135 214 H PHE 568 HN PHE 568 54.160 1.618 -2.490 215 HA PHE 568 HA PHE 568 55.301 4.338 -2.453 216 HB2 PHE 568 HB2 PHE 568 56.837 1.899 -1.500 217 HB3 PHE 568 HB1 PHE 568 57.631 3.367 -2.053 218 HD1 PHE 568 HD1 PHE 568 55.659 1.807 0.618 219 HD2 PHE 568 HD2 PHE 568 57.437 5.467 -0.764 220 HE1 PHE 568 HE1 PHE 568 55.405 2.786 2.882 221 HE2 PHE 568 HE2 PHE 568 57.179 6.445 1.500 222 HZ PHE 568 HZ PHE 568 56.164 5.105 3.323 223 H HIS 569 HN HIS 569 56.188 4.762 -4.496 224 HA HIS 569 HA HIS 569 55.805 2.927 -6.645 225 HB2 HIS 569 HB2 HIS 569 57.566 5.357 -6.290 226 HB3 HIS 569 HB1 HIS 569 57.709 4.370 -7.740 227 HD2 HIS 569 HD2 HIS 569 54.960 4.053 -9.033 228 HE1 HIS 569 HE1 HIS 569 53.861 7.923 -7.750 229 HE2 HIS 569 HE2 HIS 569 53.273 6.014 -9.327 230 HA PRO 570 HA PRO 570 58.928 -0.090 -5.656 231 HB2 PRO 570 HB2 PRO 570 59.397 -0.257 -8.571 232 HB3 PRO 570 HB1 PRO 570 58.888 -1.512 -7.436 233 HG2 PRO 570 HG2 PRO 570 57.209 -0.322 -9.269 234 HG3 PRO 570 HG1 PRO 570 56.672 -1.104 -7.782 235 HD2 PRO 570 HD2 PRO 570 56.698 1.760 -8.455 236 HD3 PRO 570 HD1 PRO 570 55.838 0.920 -7.139 237 H GLU 571 HN GLU 571 59.493 2.854 -7.224 238 HA GLU 571 HA GLU 571 62.456 2.511 -7.087 239 HB2 GLU 571 HB2 GLU 571 62.622 4.278 -8.727 240 HB3 GLU 571 HB1 GLU 571 61.455 3.097 -9.325 241 HG2 GLU 571 HG2 GLU 571 59.793 4.705 -7.916 242 HG3 GLU 571 HG1 GLU 571 61.020 5.875 -8.386 243 H HIS 572 HN HIS 572 59.740 4.058 -5.661 244 HA HIS 572 HA HIS 572 61.445 6.197 -4.473 245 HB2 HIS 572 HB2 HIS 572 58.432 5.818 -4.468 246 HB3 HIS 572 HB1 HIS 572 59.272 7.133 -3.646 247 HD2 HIS 572 HD2 HIS 572 61.472 7.241 -6.398 248 HE1 HIS 572 HE1 HIS 572 58.039 8.903 -8.195 249 HE2 HIS 572 HE2 HIS 572 60.552 8.602 -8.410 250 H PHE 573 HN PHE 573 60.197 3.118 -3.788 251 HA PHE 573 HA PHE 573 59.945 3.434 -0.901 252 HB2 PHE 573 HB2 PHE 573 58.795 1.605 -2.162 253 HB3 PHE 573 HB1 PHE 573 60.370 0.925 -2.557 254 HD1 PHE 573 HD1 PHE 573 58.683 2.265 0.530 255 HD2 PHE 573 HD2 PHE 573 60.987 -0.894 -1.247 256 HE1 PHE 573 HE1 PHE 573 58.714 1.066 2.700 257 HE2 PHE 573 HE2 PHE 573 61.019 -2.092 0.923 258 HZ PHE 573 HZ PHE 573 59.881 -1.112 2.896 259 H VAL 574 HN VAL 574 61.935 4.454 -0.365 260 HA VAL 574 HA VAL 574 64.387 2.824 -0.828 261 HB VAL 574 HB VAL 574 65.638 4.892 -0.351 262 HG11 VAL 574 HG11 VAL 574 65.346 5.688 -2.473 263 HG12 VAL 574 HG12 VAL 574 63.607 5.895 -2.265 264 HG13 VAL 574 HG13 VAL 574 64.268 4.302 -2.630 265 HG21 VAL 574 HG21 VAL 574 62.862 6.072 0.013 266 HG22 VAL 574 HG22 VAL 574 64.340 7.026 -0.115 267 HG23 VAL 574 HG23 VAL 574 64.113 5.931 1.249 268 H CYS 575 HN CYS 575 66.043 3.130 1.017 269 HA CYS 575 HA CYS 575 64.827 2.126 3.469 270 HB2 CYS 575 HB2 CYS 575 66.928 1.182 2.820 271 HB3 CYS 575 HB1 CYS 575 67.664 2.770 2.642 272 H ALA 576 HN ALA 576 64.320 3.316 5.260 273 HA ALA 576 HA ALA 576 64.574 6.210 5.209 274 HB1 ALA 576 HB1 ALA 576 62.679 5.275 6.357 275 HB2 ALA 576 HB2 ALA 576 63.703 6.010 7.589 276 HB3 ALA 576 HB3 ALA 576 63.712 4.261 7.363 277 H PHE 577 HN PHE 577 67.115 5.068 4.925 278 HA PHE 577 HA PHE 577 68.498 6.195 7.287 279 HB2 PHE 577 HB2 PHE 577 68.205 3.593 7.438 280 HB3 PHE 577 HB1 PHE 577 69.437 3.553 6.180 281 HD1 PHE 577 HD1 PHE 577 68.778 5.272 9.462 282 HD2 PHE 577 HD2 PHE 577 71.663 3.450 6.849 283 HE1 PHE 577 HE1 PHE 577 70.541 5.611 11.171 284 HE2 PHE 577 HE2 PHE 577 73.425 3.791 8.560 285 HZ PHE 577 HZ PHE 577 72.865 4.871 10.720 286 H CYS 578 HN CYS 578 69.233 4.329 4.339 287 HA CYS 578 HA CYS 578 71.302 6.344 3.626 288 HB2 CYS 578 HB2 CYS 578 71.789 4.593 1.792 289 HB3 CYS 578 HB1 CYS 578 72.168 4.141 3.452 290 H LEU 579 HN LEU 579 68.123 5.311 2.831 291 HA LEU 579 HA LEU 579 66.599 5.973 1.191 292 HB2 LEU 579 HB2 LEU 579 68.414 8.404 1.113 293 HB3 LEU 579 HB1 LEU 579 66.775 8.327 0.468 294 HG LEU 579 HG LEU 579 66.415 7.398 3.035 295 HD11 LEU 579 HD11 LEU 579 67.644 8.809 4.548 296 HD12 LEU 579 HD12 LEU 579 68.358 9.715 3.214 297 HD13 LEU 579 HD13 LEU 579 68.823 8.037 3.490 298 HD21 LEU 579 HD21 LEU 579 66.278 10.250 2.004 299 HD22 LEU 579 HD22 LEU 579 65.486 9.674 3.471 300 HD23 LEU 579 HD23 LEU 579 65.000 9.040 1.899 301 H LYS 580 HN LYS 580 69.264 4.632 0.376 302 HA LYS 580 HA LYS 580 69.851 5.644 -2.279 303 HB2 LYS 580 HB2 LYS 580 71.134 3.554 -2.550 304 HB3 LYS 580 HB1 LYS 580 71.486 4.301 -0.992 305 HG2 LYS 580 HG2 LYS 580 69.593 2.776 -0.071 306 HG3 LYS 580 HG1 LYS 580 69.799 1.868 -1.568 307 HD2 LYS 580 HD2 LYS 580 72.404 2.338 -0.551 308 HD3 LYS 580 HD1 LYS 580 71.418 1.805 0.810 309 HE2 LYS 580 HE2 LYS 580 72.342 -0.162 -0.259 310 HE3 LYS 580 HE1 LYS 580 70.614 -0.109 -0.605 311 HZ1 LYS 580 HZ1 LYS 580 70.994 0.138 -2.770 312 HZ2 LYS 580 HZ2 LYS 580 72.599 -0.317 -2.449 313 HZ3 LYS 580 HZ3 LYS 580 72.179 1.327 -2.527 314 H GLN 581 HN GLN 581 68.108 2.757 -1.116 315 HA GLN 581 HA GLN 581 65.928 2.961 -2.908 316 HB2 GLN 581 HB2 GLN 581 68.229 2.135 -4.268 317 HB3 GLN 581 HB1 GLN 581 67.384 0.632 -3.918 318 HG2 GLN 581 HG2 GLN 581 65.498 2.643 -4.786 319 HG3 GLN 581 HG1 GLN 581 66.794 2.482 -5.970 320 HE21 GLN 581 HE21 GLN 581 64.115 0.801 -4.421 321 HE22 GLN 581 HE22 GLN 581 64.131 -0.553 -5.442 322 H LEU 582 HN LEU 582 64.561 0.957 -2.725 323 HA LEU 582 HA LEU 582 65.507 -1.077 -0.843 324 HB2 LEU 582 HB2 LEU 582 64.629 1.088 0.401 325 HB3 LEU 582 HB1 LEU 582 63.051 0.387 0.054 326 HG LEU 582 HG LEU 582 63.894 -1.763 1.063 327 HD11 LEU 582 HD11 LEU 582 66.318 -0.160 1.183 328 HD12 LEU 582 HD12 LEU 582 66.117 -1.897 1.402 329 HD13 LEU 582 HD13 LEU 582 65.885 -0.804 2.764 330 HD21 LEU 582 HD21 LEU 582 64.017 -0.559 3.467 331 HD22 LEU 582 HD22 LEU 582 62.509 -0.704 2.564 332 HD23 LEU 582 HD23 LEU 582 63.429 0.798 2.506 333 H ASN 583 HN ASN 583 63.950 -2.810 -0.547 334 HA ASN 583 HA ASN 583 61.599 -2.826 -2.342 335 HB2 ASN 583 HB2 ASN 583 63.225 -3.669 -3.869 336 HB3 ASN 583 HB1 ASN 583 64.004 -4.642 -2.621 337 HD21 ASN 583 HD21 ASN 583 60.603 -4.307 -3.820 338 HD22 ASN 583 HD22 ASN 583 60.345 -5.977 -3.972 339 H LYS 584 HN LYS 584 59.967 -3.753 -1.223 340 HA LYS 584 HA LYS 584 60.120 -4.764 1.382 341 HB2 LYS 584 HB2 LYS 584 57.966 -4.209 0.582 342 HB3 LYS 584 HB1 LYS 584 58.150 -5.201 -0.860 343 HG2 LYS 584 HG2 LYS 584 56.642 -6.337 0.664 344 HG3 LYS 584 HG1 LYS 584 58.153 -7.239 0.609 345 HD2 LYS 584 HD2 LYS 584 57.446 -7.028 2.929 346 HD3 LYS 584 HD1 LYS 584 58.887 -6.045 2.682 347 HE2 LYS 584 HE2 LYS 584 57.726 -4.049 2.854 348 HE3 LYS 584 HE1 LYS 584 56.222 -4.753 2.261 349 HZ1 LYS 584 HZ1 LYS 584 55.590 -4.945 4.360 350 HZ2 LYS 584 HZ2 LYS 584 57.108 -4.437 4.929 351 HZ3 LYS 584 HZ3 LYS 584 56.825 -6.081 4.607 352 H GLY 585 HN GLY 585 60.718 -6.408 -1.648 353 HA2 GLY 585 HA2 GLY 585 60.496 -9.105 -0.838 354 HA3 GLY 585 HA1 GLY 585 61.575 -8.535 -2.104 355 H THR 586 HN THR 586 63.072 -6.776 -0.172 356 HA THR 586 HA THR 586 64.291 -8.807 1.622 357 HB THR 586 HB THR 586 66.552 -8.358 0.753 358 HG1 THR 586 HG1 THR 586 65.208 -6.904 -1.276 359 HG21 THR 586 HG21 THR 586 66.342 -9.557 -1.362 360 HG22 THR 586 HG22 THR 586 64.635 -9.126 -1.470 361 HG23 THR 586 HG23 THR 586 65.190 -10.219 -0.202 362 H PHE 587 HN PHE 587 62.790 -6.298 2.122 363 HA PHE 587 HA PHE 587 64.967 -4.582 3.220 364 HB2 PHE 587 HB2 PHE 587 63.585 -2.784 3.007 365 HB3 PHE 587 HB1 PHE 587 62.720 -3.803 1.874 366 HD1 PHE 587 HD1 PHE 587 61.154 -5.645 3.301 367 HD2 PHE 587 HD2 PHE 587 62.187 -1.641 4.469 368 HE1 PHE 587 HE1 PHE 587 59.159 -5.556 4.771 369 HE2 PHE 587 HE2 PHE 587 60.189 -1.554 5.933 370 HZ PHE 587 HZ PHE 587 58.677 -3.511 6.086 371 H LYS 588 HN LYS 588 64.159 -3.501 5.350 372 HA LYS 588 HA LYS 588 62.834 -5.418 7.178 373 HB2 LYS 588 HB2 LYS 588 65.659 -4.369 7.418 374 HB3 LYS 588 HB1 LYS 588 64.741 -4.809 8.855 375 HG2 LYS 588 HG2 LYS 588 65.116 -6.693 6.512 376 HG3 LYS 588 HG1 LYS 588 66.218 -6.644 7.886 377 HD2 LYS 588 HD2 LYS 588 64.829 -8.033 8.982 378 HD3 LYS 588 HD1 LYS 588 63.635 -6.736 9.011 379 HE2 LYS 588 HE2 LYS 588 62.652 -7.486 6.950 380 HE3 LYS 588 HE1 LYS 588 63.968 -8.624 6.666 381 HZ1 LYS 588 HZ1 LYS 588 61.861 -9.586 7.602 382 HZ2 LYS 588 HZ2 LYS 588 62.214 -8.767 9.048 383 HZ3 LYS 588 HZ3 LYS 588 63.278 -9.954 8.459 384 H GLU 589 HN GLU 589 62.361 -4.185 9.316 385 HA GLU 589 HA GLU 589 62.270 -1.252 8.837 386 HB2 GLU 589 HB2 GLU 589 59.982 -1.067 9.172 387 HB3 GLU 589 HB1 GLU 589 60.068 -2.599 8.305 388 HG2 GLU 589 HG2 GLU 589 60.302 -3.616 10.727 389 HG3 GLU 589 HG1 GLU 589 59.556 -2.095 11.221 390 H GLN 590 HN GLN 590 62.254 0.011 10.701 391 HA GLN 590 HA GLN 590 62.304 -1.269 13.350 392 HB2 GLN 590 HB2 GLN 590 64.674 -1.348 12.353 393 HB3 GLN 590 HB1 GLN 590 64.659 0.409 12.459 394 HG2 GLN 590 HG2 GLN 590 65.677 -0.339 14.477 395 HG3 GLN 590 HG1 GLN 590 64.036 0.124 14.921 396 HE21 GLN 590 HE21 GLN 590 65.022 -2.875 13.230 397 HE22 GLN 590 HE22 GLN 590 64.490 -3.926 14.452 398 H ASN 591 HN ASN 591 61.826 0.271 14.979 399 HA ASN 591 HA ASN 591 60.867 2.239 15.807 400 HB2 ASN 591 HB2 ASN 591 62.909 3.280 13.842 401 HB3 ASN 591 HB1 ASN 591 61.918 4.366 14.809 402 HD21 ASN 591 HD21 ASN 591 64.858 2.760 14.821 403 HD22 ASN 591 HD22 ASN 591 65.138 2.726 16.495 404 H ASP 592 HN ASP 592 59.749 0.923 13.243 405 HA ASP 592 HA ASP 592 57.737 1.321 12.075 406 HB2 ASP 592 HB2 ASP 592 57.483 3.130 14.040 407 HB3 ASP 592 HB1 ASP 592 57.710 4.238 12.684 408 H LYS 593 HN LYS 593 60.499 1.756 10.993 409 HA LYS 593 HA LYS 593 59.624 3.238 8.585 410 HB2 LYS 593 HB2 LYS 593 62.332 3.996 8.947 411 HB3 LYS 593 HB1 LYS 593 60.909 5.031 8.973 412 HG2 LYS 593 HG2 LYS 593 60.644 4.355 11.432 413 HG3 LYS 593 HG1 LYS 593 62.278 3.705 11.312 414 HD2 LYS 593 HD2 LYS 593 63.117 5.904 10.595 415 HD3 LYS 593 HD1 LYS 593 61.483 6.563 10.685 416 HE2 LYS 593 HE2 LYS 593 62.937 5.325 13.038 417 HE3 LYS 593 HE1 LYS 593 62.881 7.057 12.715 418 HZ1 LYS 593 HZ1 LYS 593 60.640 5.245 13.383 419 HZ2 LYS 593 HZ2 LYS 593 60.379 6.766 12.671 420 HZ3 LYS 593 HZ3 LYS 593 61.132 6.653 14.190 421 HA PRO 594 HA PRO 594 61.667 -0.072 6.521 422 HB2 PRO 594 HB2 PRO 594 62.548 1.220 4.265 423 HB3 PRO 594 HB1 PRO 594 60.873 0.735 4.548 424 HG2 PRO 594 HG2 PRO 594 62.120 3.431 4.756 425 HG3 PRO 594 HG1 PRO 594 60.488 2.984 4.253 426 HD2 PRO 594 HD2 PRO 594 61.121 4.025 6.751 427 HD3 PRO 594 HD1 PRO 594 59.679 3.034 6.418 428 H TYR 595 HN TYR 595 63.663 -0.957 5.985 429 HA TYR 595 HA TYR 595 66.134 0.602 5.995 430 HB2 TYR 595 HB2 TYR 595 65.444 -1.275 8.284 431 HB3 TYR 595 HB1 TYR 595 67.087 -0.759 7.922 432 HD1 TYR 595 HD1 TYR 595 63.975 0.112 9.514 433 HD2 TYR 595 HD2 TYR 595 67.609 1.739 7.912 434 HE1 TYR 595 HE1 TYR 595 63.593 2.211 10.771 435 HE2 TYR 595 HE2 TYR 595 67.223 3.840 9.175 436 HH TYR 595 HH TYR 595 65.272 5.064 10.144 437 H CYS 596 HN CYS 596 67.402 -0.479 4.489 438 HA CYS 596 HA CYS 596 66.643 -2.906 3.272 439 HB2 CYS 596 HB2 CYS 596 69.571 -2.413 3.508 440 HB3 CYS 596 HB1 CYS 596 68.607 -2.773 2.079 441 H GLN 597 HN GLN 597 67.187 -5.070 3.674 442 HA GLN 597 HA GLN 597 67.408 -5.953 6.327 443 HB2 GLN 597 HB2 GLN 597 66.898 -7.765 5.035 444 HB3 GLN 597 HB1 GLN 597 67.753 -7.107 3.645 445 HG2 GLN 597 HG2 GLN 597 68.833 -9.178 4.387 446 HG3 GLN 597 HG1 GLN 597 69.910 -7.811 4.650 447 HE21 GLN 597 HE21 GLN 597 67.279 -7.888 6.885 448 HE22 GLN 597 HE22 GLN 597 68.123 -8.559 8.195 449 H ASN 598 HN ASN 598 69.930 -5.126 4.005 450 HA ASN 598 HA ASN 598 72.169 -5.940 5.622 451 HB2 ASN 598 HB2 ASN 598 72.425 -5.496 3.218 452 HB3 ASN 598 HB1 ASN 598 71.961 -3.813 3.463 453 HD21 ASN 598 HD21 ASN 598 74.471 -6.202 4.425 454 HD22 ASN 598 HD22 ASN 598 75.693 -5.048 4.666 455 H CYS 599 HN CYS 599 70.296 -2.951 5.311 456 HA CYS 599 HA CYS 599 71.926 -1.385 7.116 457 HB2 CYS 599 HB2 CYS 599 69.154 -1.136 5.976 458 HB3 CYS 599 HB1 CYS 599 69.599 -0.129 7.349 459 H PHE 600 HN PHE 600 68.697 -2.895 7.569 460 HA PHE 600 HA PHE 600 68.460 -2.628 10.356 461 HB2 PHE 600 HB2 PHE 600 66.626 -3.559 9.125 462 HB3 PHE 600 HB1 PHE 600 67.627 -4.843 8.461 463 HD1 PHE 600 HD1 PHE 600 65.646 -3.736 11.324 464 HD2 PHE 600 HD2 PHE 600 68.397 -6.718 9.909 465 HE1 PHE 600 HE1 PHE 600 65.014 -5.218 13.209 466 HE2 PHE 600 HE2 PHE 600 67.767 -8.195 11.797 467 HZ PHE 600 HZ PHE 600 66.074 -7.446 13.446 468 H LEU 601 HN LEU 601 70.107 -5.141 8.486 469 HA LEU 601 HA LEU 601 71.079 -6.715 10.655 470 HB2 LEU 601 HB2 LEU 601 71.130 -7.479 8.331 471 HB3 LEU 601 HB1 LEU 601 72.217 -6.167 7.896 472 HG LEU 601 HG LEU 601 73.821 -7.155 9.664 473 HD11 LEU 601 HD11 LEU 601 73.496 -9.586 10.054 474 HD12 LEU 601 HD12 LEU 601 71.940 -9.497 9.228 475 HD13 LEU 601 HD13 LEU 601 72.182 -8.635 10.747 476 HD21 LEU 601 HD21 LEU 601 73.091 -8.433 7.030 477 HD22 LEU 601 HD22 LEU 601 74.465 -9.013 7.974 478 HD23 LEU 601 HD23 LEU 601 74.435 -7.349 7.391 479 H LYS 602 HN LYS 602 72.039 -3.674 9.299 480 HA LYS 602 HA LYS 602 74.624 -3.575 10.712 481 HB2 LYS 602 HB2 LYS 602 73.679 -2.443 8.383 482 HB3 LYS 602 HB1 LYS 602 73.555 -1.103 9.514 483 HG2 LYS 602 HG2 LYS 602 75.738 -0.933 8.627 484 HG3 LYS 602 HG1 LYS 602 75.957 -1.679 10.209 485 HD2 LYS 602 HD2 LYS 602 77.287 -2.990 8.737 486 HD3 LYS 602 HD1 LYS 602 75.820 -3.937 8.978 487 HE2 LYS 602 HE2 LYS 602 74.992 -3.445 6.847 488 HE3 LYS 602 HE1 LYS 602 75.973 -1.988 6.693 489 HZ1 LYS 602 HZ1 LYS 602 76.944 -3.634 5.325 490 HZ2 LYS 602 HZ2 LYS 602 76.885 -4.806 6.554 491 HZ3 LYS 602 HZ3 LYS 602 77.951 -3.489 6.682 492 H LEU 603 HN LEU 603 71.394 -2.113 10.905 493 HA LEU 603 HA LEU 603 72.156 -0.419 13.175 494 HB2 LEU 603 HB2 LEU 603 69.306 -0.935 12.378 495 HB3 LEU 603 HB1 LEU 603 70.034 0.539 12.997 496 HG LEU 603 HG LEU 603 70.375 -0.626 10.229 497 HD11 LEU 603 HD11 LEU 603 68.274 0.579 10.579 498 HD12 LEU 603 HD12 LEU 603 69.346 1.522 9.543 499 HD13 LEU 603 HD13 LEU 603 69.158 1.954 11.243 500 HD21 LEU 603 HD21 LEU 603 72.512 0.299 10.831 501 HD22 LEU 603 HD22 LEU 603 71.756 1.702 11.587 502 HD23 LEU 603 HD23 LEU 603 71.702 1.506 9.834 503 H PHE 604 HN PHE 604 69.796 -3.052 12.694 504 HA PHE 604 HA PHE 604 69.352 -3.403 15.528 505 HB2 PHE 604 HB2 PHE 604 67.857 -4.060 13.470 506 HB3 PHE 604 HB1 PHE 604 68.790 -5.555 13.511 507 HD1 PHE 604 HD1 PHE 604 68.310 -7.242 15.101 508 HD2 PHE 604 HD2 PHE 604 66.701 -3.294 15.627 509 HE1 PHE 604 HE1 PHE 604 66.914 -8.061 16.980 510 HE2 PHE 604 HE2 PHE 604 65.306 -4.112 17.506 511 HZ PHE 604 HZ PHE 604 65.412 -6.496 18.183 512 H CYS 605 HN CYS 605 71.755 -4.554 13.323 513 HA CYS 605 HA CYS 605 72.923 -6.177 15.522 514 HB2 CYS 605 HB2 CYS 605 71.502 -7.561 13.790 515 HB3 CYS 605 HB1 CYS 605 72.908 -7.342 12.751 516 HG CYS 605 HG CYS 605 74.291 -8.371 14.911 Start of MODEL 20 1 H TYR 541 HT1 TYR 541 40.132 -0.292 -20.175 2 HA TYR 541 HA TYR 541 42.294 -0.888 -20.921 3 HB2 TYR 541 HB2 TYR 541 44.003 0.914 -21.268 4 HB3 TYR 541 HB1 TYR 541 42.696 0.964 -22.450 5 HD1 TYR 541 HD1 TYR 541 44.340 2.702 -19.701 6 HD2 TYR 541 HD2 TYR 541 40.849 2.644 -22.205 7 HE1 TYR 541 HE1 TYR 541 43.817 5.030 -19.027 8 HE2 TYR 541 HE2 TYR 541 40.327 4.972 -21.530 9 HH TYR 541 HH TYR 541 42.032 7.030 -20.567 10 H HIS 542 HN HIS 542 41.557 1.860 -18.793 11 HA HIS 542 HA HIS 542 43.609 1.119 -16.852 12 HB2 HIS 542 HB2 HIS 542 42.234 2.801 -15.406 13 HB3 HIS 542 HB1 HIS 542 43.112 3.415 -16.805 14 HD1 HIS 542 HD1 HIS 542 39.888 1.493 -17.143 15 HD2 HIS 542 HD2 HIS 542 41.218 5.435 -17.409 16 HE1 HIS 542 HE1 HIS 542 37.977 2.829 -18.132 17 H GLU 543 HN GLU 543 42.923 0.678 -14.526 18 HA GLU 543 HA GLU 543 40.437 -0.974 -14.391 19 HB2 GLU 543 HB2 GLU 543 43.181 -1.774 -13.365 20 HB3 GLU 543 HB1 GLU 543 41.691 -2.678 -13.091 21 HG2 GLU 543 HG2 GLU 543 41.417 -2.844 -15.590 22 HG3 GLU 543 HG1 GLU 543 43.017 -2.121 -15.760 23 H ARG 544 HN ARG 544 41.623 1.730 -13.332 24 HA ARG 544 HA ARG 544 41.429 3.002 -11.375 25 HB2 ARG 544 HB2 ARG 544 39.285 0.936 -11.174 26 HB3 ARG 544 HB1 ARG 544 39.661 1.843 -9.711 27 HG2 ARG 544 HG2 ARG 544 39.494 3.546 -12.095 28 HG3 ARG 544 HG1 ARG 544 37.987 2.702 -11.745 29 HD2 ARG 544 HD2 ARG 544 37.968 3.566 -9.473 30 HD3 ARG 544 HD1 ARG 544 39.557 4.297 -9.699 31 HE ARG 544 HE ARG 544 38.008 5.423 -11.708 32 HH11 ARG 544 HH11 ARG 544 36.857 7.339 -11.432 33 HH12 ARG 544 HH12 ARG 544 36.377 7.828 -9.841 34 HH21 ARG 544 HH21 ARG 544 37.790 5.079 -8.279 35 HH22 ARG 544 HH22 ARG 544 36.904 6.550 -8.059 36 H ARG 545 HN ARG 545 41.179 2.345 -8.710 37 HA ARG 545 HA ARG 545 42.405 1.578 -6.881 38 HB2 ARG 545 HB2 ARG 545 43.205 -0.771 -8.612 39 HB3 ARG 545 HB1 ARG 545 43.040 -0.718 -6.860 40 HG2 ARG 545 HG2 ARG 545 40.572 -0.103 -7.323 41 HG3 ARG 545 HG1 ARG 545 40.877 -0.697 -8.956 42 HD2 ARG 545 HD2 ARG 545 41.936 -2.739 -7.625 43 HD3 ARG 545 HD1 ARG 545 40.840 -2.185 -6.370 44 HE ARG 545 HE ARG 545 40.078 -3.753 -8.587 45 HH11 ARG 545 HH11 ARG 545 38.033 -3.774 -9.496 46 HH12 ARG 545 HH12 ARG 545 36.933 -2.478 -9.167 47 HH21 ARG 545 HH21 ARG 545 39.126 -0.767 -7.118 48 HH22 ARG 545 HH22 ARG 545 37.552 -0.781 -7.832 49 H GLY 546 HN GLY 546 44.825 -0.246 -8.329 50 HA2 GLY 546 HA2 GLY 546 46.975 0.328 -9.160 51 HA3 GLY 546 HA1 GLY 546 46.497 2.025 -9.103 52 H SER 547 HN SER 547 45.586 1.790 -6.287 53 HA SER 547 HA SER 547 46.431 2.019 -4.121 54 HB2 SER 547 HB2 SER 547 47.968 -0.128 -5.294 55 HB3 SER 547 HB1 SER 547 48.992 0.842 -4.246 56 HG SER 547 HG SER 547 46.434 -0.173 -3.546 57 H LEU 548 HN LEU 548 47.130 4.006 -3.527 58 HA LEU 548 HA LEU 548 48.945 5.544 -5.168 59 HB2 LEU 548 HB2 LEU 548 47.564 5.964 -2.543 60 HB3 LEU 548 HB1 LEU 548 48.908 7.018 -2.966 61 HG LEU 548 HG LEU 548 47.810 7.664 -5.044 62 HD11 LEU 548 HD11 LEU 548 46.667 5.690 -5.713 63 HD12 LEU 548 HD12 LEU 548 45.398 6.864 -5.368 64 HD13 LEU 548 HD13 LEU 548 45.772 5.601 -4.195 65 HD21 LEU 548 HD21 LEU 548 45.831 7.779 -2.748 66 HD22 LEU 548 HD22 LEU 548 45.921 8.892 -4.113 67 HD23 LEU 548 HD23 LEU 548 47.219 8.853 -2.920 68 H CYS 549 HN CYS 549 51.118 5.918 -4.888 69 HA CYS 549 HA CYS 549 52.592 4.085 -3.144 70 HB2 CYS 549 HB2 CYS 549 53.843 4.362 -5.053 71 HB3 CYS 549 HB1 CYS 549 53.239 5.990 -5.339 72 H SER 550 HN SER 550 52.637 4.642 -1.012 73 HA SER 550 HA SER 550 52.116 7.173 0.068 74 HB2 SER 550 HB2 SER 550 53.959 5.020 1.138 75 HB3 SER 550 HB1 SER 550 53.418 6.410 2.071 76 HG SER 550 HG SER 550 51.967 4.212 1.084 77 H GLY 551 HN GLY 551 53.122 8.995 -0.413 78 HA2 GLY 551 HA2 GLY 551 55.284 10.287 -0.075 79 HA3 GLY 551 HA1 GLY 551 56.068 8.961 -0.951 80 H CYS 552 HN CYS 552 53.809 8.571 -2.748 81 HA CYS 552 HA CYS 552 54.239 10.911 -4.559 82 HB2 CYS 552 HB2 CYS 552 53.806 7.983 -4.969 83 HB3 CYS 552 HB1 CYS 552 53.148 9.081 -6.181 84 H GLN 553 HN GLN 553 51.850 8.925 -2.935 85 HA GLN 553 HA GLN 553 49.538 9.146 -2.702 86 HB2 GLN 553 HB2 GLN 553 50.423 11.978 -3.254 87 HB3 GLN 553 HB1 GLN 553 48.713 11.594 -3.072 88 HG2 GLN 553 HG2 GLN 553 49.924 12.298 -0.936 89 HG3 GLN 553 HG1 GLN 553 49.032 10.785 -0.847 90 HE21 GLN 553 HE21 GLN 553 52.204 12.208 -0.683 91 HE22 GLN 553 HE22 GLN 553 53.057 10.776 -0.373 92 H LYS 554 HN LYS 554 50.728 8.366 -5.241 93 HA LYS 554 HA LYS 554 48.427 9.003 -7.029 94 HB2 LYS 554 HB2 LYS 554 51.373 8.939 -7.767 95 HB3 LYS 554 HB1 LYS 554 50.071 8.911 -8.956 96 HG2 LYS 554 HG2 LYS 554 50.404 11.087 -6.870 97 HG3 LYS 554 HG1 LYS 554 51.003 11.210 -8.523 98 HD2 LYS 554 HD2 LYS 554 48.536 10.581 -9.173 99 HD3 LYS 554 HD1 LYS 554 48.165 11.136 -7.541 100 HE2 LYS 554 HE2 LYS 554 47.919 13.058 -8.929 101 HE3 LYS 554 HE1 LYS 554 49.474 13.260 -8.122 102 HZ1 LYS 554 HZ1 LYS 554 49.479 13.676 -10.573 103 HZ2 LYS 554 HZ2 LYS 554 49.185 12.018 -10.799 104 HZ3 LYS 554 HZ3 LYS 554 50.616 12.535 -10.043 105 HA PRO 555 HA PRO 555 47.916 4.619 -7.113 106 HB2 PRO 555 HB2 PRO 555 47.586 4.820 -10.029 107 HB3 PRO 555 HB1 PRO 555 46.459 4.239 -8.797 108 HG2 PRO 555 HG2 PRO 555 46.296 6.690 -10.115 109 HG3 PRO 555 HG1 PRO 555 45.454 6.274 -8.620 110 HD2 PRO 555 HD2 PRO 555 47.640 8.163 -8.998 111 HD3 PRO 555 HD1 PRO 555 46.694 7.844 -7.522 112 H ILE 556 HN ILE 556 48.985 2.729 -7.735 113 HA ILE 556 HA ILE 556 51.650 3.148 -9.005 114 HB ILE 556 HB ILE 556 50.606 1.070 -7.059 115 HG12 ILE 556 HG12 ILE 556 52.948 2.925 -6.650 116 HG13 ILE 556 HG11 ILE 556 51.309 3.510 -6.380 117 HG21 ILE 556 HG21 ILE 556 53.214 1.263 -8.583 118 HG22 ILE 556 HG22 ILE 556 52.131 -0.121 -8.444 119 HG23 ILE 556 HG23 ILE 556 53.097 0.385 -7.058 120 HD11 ILE 556 HD11 ILE 556 51.642 2.687 -4.281 121 HD12 ILE 556 HD12 ILE 556 52.906 1.576 -4.805 122 HD13 ILE 556 HD13 ILE 556 51.209 1.151 -5.029 123 H THR 557 HN THR 557 51.089 2.835 -11.182 124 HA THR 557 HA THR 557 49.425 0.570 -11.994 125 HB THR 557 HB THR 557 50.049 1.360 -14.317 126 HG1 THR 557 HG1 THR 557 51.974 2.326 -14.033 127 HG21 THR 557 HG21 THR 557 48.020 2.207 -13.390 128 HG22 THR 557 HG22 THR 557 48.884 3.613 -14.010 129 HG23 THR 557 HG23 THR 557 48.886 3.270 -12.280 130 H GLY 558 HN GLY 558 50.658 -1.207 -11.175 131 HA2 GLY 558 HA2 GLY 558 52.058 -2.860 -12.692 132 HA3 GLY 558 HA1 GLY 558 53.333 -1.679 -12.374 133 H ARG 559 HN ARG 559 54.562 -3.254 -11.153 134 HA ARG 559 HA ARG 559 53.539 -4.751 -8.958 135 HB2 ARG 559 HB2 ARG 559 56.232 -3.809 -9.836 136 HB3 ARG 559 HB1 ARG 559 56.075 -4.298 -8.149 137 HG2 ARG 559 HG2 ARG 559 54.801 -6.135 -10.082 138 HG3 ARG 559 HG1 ARG 559 56.556 -6.032 -10.212 139 HD2 ARG 559 HD2 ARG 559 56.840 -6.620 -7.892 140 HD3 ARG 559 HD1 ARG 559 55.107 -6.485 -7.590 141 HE ARG 559 HE ARG 559 55.294 -8.416 -9.575 142 HH11 ARG 559 HH11 ARG 559 55.485 -10.615 -9.121 143 HH12 ARG 559 HH12 ARG 559 56.151 -11.121 -7.605 144 HH21 ARG 559 HH21 ARG 559 56.671 -7.899 -6.450 145 HH22 ARG 559 HH22 ARG 559 56.821 -9.587 -6.096 146 H CYS 560 HN CYS 560 53.729 -4.262 -6.642 147 HA CYS 560 HA CYS 560 54.163 -1.435 -5.924 148 HB2 CYS 560 HB2 CYS 560 51.966 -1.096 -4.997 149 HB3 CYS 560 HB1 CYS 560 51.758 -1.642 -6.660 150 HG CYS 560 HG CYS 560 51.718 -4.041 -4.858 151 H ILE 561 HN ILE 561 54.901 -1.242 -3.871 152 HA ILE 561 HA ILE 561 55.305 -3.726 -2.324 153 HB ILE 561 HB ILE 561 56.182 -0.976 -1.463 154 HG12 ILE 561 HG12 ILE 561 56.781 -1.357 -3.905 155 HG13 ILE 561 HG11 ILE 561 58.158 -1.119 -2.836 156 HG21 ILE 561 HG21 ILE 561 56.666 -2.608 0.167 157 HG22 ILE 561 HG22 ILE 561 58.180 -2.452 -0.726 158 HG23 ILE 561 HG23 ILE 561 57.106 -3.814 -1.042 159 HD11 ILE 561 HD11 ILE 561 58.666 -3.451 -2.805 160 HD12 ILE 561 HD12 ILE 561 58.354 -3.053 -4.493 161 HD13 ILE 561 HD13 ILE 561 57.118 -3.871 -3.538 162 H THR 562 HN THR 562 54.689 -3.829 -0.044 163 HA THR 562 HA THR 562 52.507 -1.933 0.719 164 HB THR 562 HB THR 562 52.476 -4.939 1.104 165 HG1 THR 562 HG1 THR 562 51.592 -4.900 -0.773 166 HG21 THR 562 HG21 THR 562 50.805 -2.691 2.137 167 HG22 THR 562 HG22 THR 562 51.273 -4.196 2.928 168 HG23 THR 562 HG23 THR 562 49.996 -4.200 1.711 169 H ALA 563 HN ALA 563 53.505 -0.840 2.349 170 HA ALA 563 HA ALA 563 55.220 -2.294 4.270 171 HB1 ALA 563 HB1 ALA 563 54.497 0.645 4.291 172 HB2 ALA 563 HB2 ALA 563 55.806 -0.006 3.306 173 HB3 ALA 563 HB3 ALA 563 55.881 -0.129 5.063 174 H MET 564 HN MET 564 54.094 0.079 6.109 175 HA MET 564 HA MET 564 52.354 -1.646 7.665 176 HB2 MET 564 HB2 MET 564 52.857 1.339 7.858 177 HB3 MET 564 HB1 MET 564 52.053 0.362 9.083 178 HG2 MET 564 HG2 MET 564 54.068 -0.916 9.482 179 HG3 MET 564 HG1 MET 564 54.880 -0.153 8.116 180 HE1 MET 564 HE1 MET 564 56.289 -0.158 11.016 181 HE2 MET 564 HE2 MET 564 56.977 1.448 10.787 182 HE3 MET 564 HE3 MET 564 56.831 0.356 9.412 183 H ALA 565 HN ALA 565 51.130 -1.826 5.409 184 HA ALA 565 HA ALA 565 48.986 -1.604 4.452 185 HB1 ALA 565 HB1 ALA 565 48.446 -0.785 6.954 186 HB2 ALA 565 HB2 ALA 565 47.280 -0.602 5.645 187 HB3 ALA 565 HB3 ALA 565 48.280 0.767 6.132 188 H LYS 566 HN LYS 566 51.414 0.675 4.725 189 HA LYS 566 HA LYS 566 50.227 2.617 2.832 190 HB2 LYS 566 HB2 LYS 566 52.539 2.542 4.679 191 HB3 LYS 566 HB1 LYS 566 52.820 3.404 3.168 192 HG2 LYS 566 HG2 LYS 566 50.719 4.708 3.580 193 HG3 LYS 566 HG1 LYS 566 50.583 3.916 5.151 194 HD2 LYS 566 HD2 LYS 566 52.985 5.540 4.260 195 HD3 LYS 566 HD1 LYS 566 51.686 6.159 5.280 196 HE2 LYS 566 HE2 LYS 566 52.988 5.429 6.999 197 HE3 LYS 566 HE1 LYS 566 52.330 3.844 6.591 198 HZ1 LYS 566 HZ1 LYS 566 54.237 3.678 4.966 199 HZ2 LYS 566 HZ2 LYS 566 54.643 3.581 6.613 200 HZ3 LYS 566 HZ3 LYS 566 54.912 5.021 5.751 201 H LYS 567 HN LYS 567 50.676 2.554 0.662 202 HA LYS 567 HA LYS 567 52.406 0.380 -0.325 203 HB2 LYS 567 HB2 LYS 567 50.254 2.093 -1.447 204 HB3 LYS 567 HB1 LYS 567 51.499 1.564 -2.573 205 HG2 LYS 567 HG2 LYS 567 49.537 -0.007 -2.394 206 HG3 LYS 567 HG1 LYS 567 51.093 -0.753 -2.047 207 HD2 LYS 567 HD2 LYS 567 50.689 -0.440 0.380 208 HD3 LYS 567 HD1 LYS 567 49.112 0.256 0.011 209 HE2 LYS 567 HE2 LYS 567 49.504 -2.387 0.516 210 HE3 LYS 567 HE1 LYS 567 48.193 -1.762 -0.467 211 HZ1 LYS 567 HZ1 LYS 567 49.280 -3.484 -1.671 212 HZ2 LYS 567 HZ2 LYS 567 50.804 -2.773 -1.429 213 HZ3 LYS 567 HZ3 LYS 567 49.655 -2.012 -2.424 214 H PHE 568 HN PHE 568 53.763 0.968 -2.303 215 HA PHE 568 HA PHE 568 54.912 3.675 -2.368 216 HB2 PHE 568 HB2 PHE 568 56.465 1.277 -1.345 217 HB3 PHE 568 HB1 PHE 568 57.247 2.726 -1.957 218 HD1 PHE 568 HD1 PHE 568 55.304 1.259 0.791 219 HD2 PHE 568 HD2 PHE 568 57.079 4.863 -0.735 220 HE1 PHE 568 HE1 PHE 568 55.077 2.317 3.022 221 HE2 PHE 568 HE2 PHE 568 56.847 5.920 1.496 222 HZ PHE 568 HZ PHE 568 55.848 4.646 3.375 223 H HIS 569 HN HIS 569 55.761 4.005 -4.450 224 HA HIS 569 HA HIS 569 55.353 2.048 -6.488 225 HB2 HIS 569 HB2 HIS 569 57.079 4.521 -6.314 226 HB3 HIS 569 HB1 HIS 569 57.185 3.464 -7.717 227 HD2 HIS 569 HD2 HIS 569 54.387 3.039 -8.879 228 HE1 HIS 569 HE1 HIS 569 53.285 6.959 -7.758 229 HE2 HIS 569 HE2 HIS 569 52.662 4.962 -9.209 230 HA PRO 570 HA PRO 570 58.554 -0.859 -5.414 231 HB2 PRO 570 HB2 PRO 570 58.921 -1.190 -8.330 232 HB3 PRO 570 HB1 PRO 570 58.479 -2.384 -7.105 233 HG2 PRO 570 HG2 PRO 570 56.709 -1.343 -8.935 234 HG3 PRO 570 HG1 PRO 570 56.242 -2.027 -7.377 235 HD2 PRO 570 HD2 PRO 570 56.211 0.788 -8.246 236 HD3 PRO 570 HD1 PRO 570 55.400 0.029 -6.852 237 H GLU 571 HN GLU 571 59.039 2.023 -7.073 238 HA GLU 571 HA GLU 571 62.011 1.698 -7.016 239 HB2 GLU 571 HB2 GLU 571 62.090 3.448 -8.761 240 HB3 GLU 571 HB1 GLU 571 61.143 2.059 -9.298 241 HG2 GLU 571 HG2 GLU 571 59.066 3.202 -8.772 242 HG3 GLU 571 HG1 GLU 571 59.942 4.549 -8.055 243 H HIS 572 HN HIS 572 59.364 3.202 -5.533 244 HA HIS 572 HA HIS 572 61.018 5.539 -4.693 245 HB2 HIS 572 HB2 HIS 572 58.027 5.060 -4.522 246 HB3 HIS 572 HB1 HIS 572 58.843 6.458 -3.821 247 HD2 HIS 572 HD2 HIS 572 60.951 6.392 -6.663 248 HE1 HIS 572 HE1 HIS 572 57.433 7.895 -8.435 249 HE2 HIS 572 HE2 HIS 572 59.938 7.595 -8.729 250 H PHE 573 HN PHE 573 59.830 2.515 -3.639 251 HA PHE 573 HA PHE 573 59.829 3.097 -0.782 252 HB2 PHE 573 HB2 PHE 573 58.669 1.117 -1.982 253 HB3 PHE 573 HB1 PHE 573 60.267 0.385 -2.059 254 HD1 PHE 573 HD1 PHE 573 57.436 -0.018 -0.350 255 HD2 PHE 573 HD2 PHE 573 61.496 1.075 0.513 256 HE1 PHE 573 HE1 PHE 573 57.161 -0.827 1.971 257 HE2 PHE 573 HE2 PHE 573 61.219 0.269 2.832 258 HZ PHE 573 HZ PHE 573 59.053 -0.683 3.566 259 H VAL 574 HN VAL 574 61.841 4.174 -0.519 260 HA VAL 574 HA VAL 574 64.271 2.532 -1.068 261 HB VAL 574 HB VAL 574 65.519 4.656 -0.894 262 HG11 VAL 574 HG11 VAL 574 63.347 5.468 -2.724 263 HG12 VAL 574 HG12 VAL 574 63.934 3.824 -2.970 264 HG13 VAL 574 HG13 VAL 574 65.054 5.183 -3.059 265 HG21 VAL 574 HG21 VAL 574 64.080 5.810 0.723 266 HG22 VAL 574 HG22 VAL 574 62.758 5.842 -0.444 267 HG23 VAL 574 HG23 VAL 574 64.220 6.782 -0.742 268 H CYS 575 HN CYS 575 66.094 3.054 0.578 269 HA CYS 575 HA CYS 575 65.152 2.242 3.212 270 HB2 CYS 575 HB2 CYS 575 67.234 1.329 2.457 271 HB3 CYS 575 HB1 CYS 575 67.871 2.923 2.073 272 H ALA 576 HN ALA 576 64.738 3.575 4.929 273 HA ALA 576 HA ALA 576 64.830 6.457 4.590 274 HB1 ALA 576 HB1 ALA 576 64.184 6.441 7.052 275 HB2 ALA 576 HB2 ALA 576 64.254 4.681 6.974 276 HB3 ALA 576 HB3 ALA 576 63.093 5.562 5.982 277 H PHE 577 HN PHE 577 67.411 5.335 4.227 278 HA PHE 577 HA PHE 577 68.905 6.790 6.338 279 HB2 PHE 577 HB2 PHE 577 68.771 4.189 6.721 280 HB3 PHE 577 HB1 PHE 577 69.937 4.121 5.403 281 HD1 PHE 577 HD1 PHE 577 72.221 4.511 5.817 282 HD2 PHE 577 HD2 PHE 577 69.301 5.773 8.705 283 HE1 PHE 577 HE1 PHE 577 74.038 5.106 7.395 284 HE2 PHE 577 HE2 PHE 577 71.119 6.368 10.282 285 HZ PHE 577 HZ PHE 577 73.487 6.035 9.627 286 H CYS 578 HN CYS 578 69.490 4.707 3.502 287 HA CYS 578 HA CYS 578 71.388 6.746 2.452 288 HB2 CYS 578 HB2 CYS 578 71.818 4.862 0.734 289 HB3 CYS 578 HB1 CYS 578 72.364 4.586 2.387 290 H LEU 579 HN LEU 579 68.217 5.499 2.019 291 HA LEU 579 HA LEU 579 66.534 5.937 0.458 292 HB2 LEU 579 HB2 LEU 579 68.199 8.437 0.019 293 HB3 LEU 579 HB1 LEU 579 66.519 8.223 -0.468 294 HG LEU 579 HG LEU 579 66.426 7.513 2.189 295 HD11 LEU 579 HD11 LEU 579 68.273 9.906 1.978 296 HD12 LEU 579 HD12 LEU 579 68.815 8.284 2.404 297 HD13 LEU 579 HD13 LEU 579 67.689 9.141 3.455 298 HD21 LEU 579 HD21 LEU 579 64.835 8.980 1.048 299 HD22 LEU 579 HD22 LEU 579 66.051 10.253 0.936 300 HD23 LEU 579 HD23 LEU 579 65.418 9.774 2.510 301 H LYS 580 HN LYS 580 69.189 4.651 -0.456 302 HA LYS 580 HA LYS 580 69.533 5.454 -3.220 303 HB2 LYS 580 HB2 LYS 580 70.873 3.390 -3.421 304 HB3 LYS 580 HB1 LYS 580 71.311 4.278 -1.962 305 HG2 LYS 580 HG2 LYS 580 69.552 2.773 -0.777 306 HG3 LYS 580 HG1 LYS 580 69.687 1.748 -2.204 307 HD2 LYS 580 HD2 LYS 580 72.338 2.364 -1.465 308 HD3 LYS 580 HD1 LYS 580 71.497 1.990 0.039 309 HE2 LYS 580 HE2 LYS 580 72.350 -0.087 -0.835 310 HE3 LYS 580 HE1 LYS 580 70.604 -0.093 -1.081 311 HZ1 LYS 580 HZ1 LYS 580 72.664 -0.245 -3.006 312 HZ2 LYS 580 HZ2 LYS 580 71.716 1.134 -3.301 313 HZ3 LYS 580 HZ3 LYS 580 70.990 -0.400 -3.226 314 H GLN 581 HN GLN 581 68.009 2.598 -1.715 315 HA GLN 581 HA GLN 581 65.689 2.585 -3.335 316 HB2 GLN 581 HB2 GLN 581 67.903 1.769 -4.827 317 HB3 GLN 581 HB1 GLN 581 67.184 0.254 -4.296 318 HG2 GLN 581 HG2 GLN 581 65.122 2.103 -5.146 319 HG3 GLN 581 HG1 GLN 581 66.317 1.886 -6.423 320 HE21 GLN 581 HE21 GLN 581 63.871 0.243 -4.493 321 HE22 GLN 581 HE22 GLN 581 63.863 -1.196 -5.390 322 H LEU 582 HN LEU 582 64.409 0.595 -2.868 323 HA LEU 582 HA LEU 582 65.577 -1.331 -1.004 324 HB2 LEU 582 HB2 LEU 582 64.873 0.891 0.241 325 HB3 LEU 582 HB1 LEU 582 63.257 0.205 0.108 326 HG LEU 582 HG LEU 582 64.189 -1.920 1.104 327 HD11 LEU 582 HD11 LEU 582 66.371 -0.776 2.507 328 HD12 LEU 582 HD12 LEU 582 66.626 -0.432 0.799 329 HD13 LEU 582 HD13 LEU 582 66.413 -2.097 1.341 330 HD21 LEU 582 HD21 LEU 582 63.861 0.698 2.471 331 HD22 LEU 582 HD22 LEU 582 64.590 -0.593 3.426 332 HD23 LEU 582 HD23 LEU 582 62.991 -0.815 2.717 333 H ASN 583 HN ASN 583 64.107 -3.068 -0.485 334 HA ASN 583 HA ASN 583 61.554 -3.134 -1.997 335 HB2 ASN 583 HB2 ASN 583 62.150 -5.405 -2.870 336 HB3 ASN 583 HB1 ASN 583 63.167 -4.127 -3.533 337 HD21 ASN 583 HD21 ASN 583 63.157 -6.994 -1.508 338 HD22 ASN 583 HD22 ASN 583 64.829 -7.030 -1.217 339 H LYS 584 HN LYS 584 59.996 -4.003 -0.726 340 HA LYS 584 HA LYS 584 60.363 -4.772 1.956 341 HB2 LYS 584 HB2 LYS 584 58.154 -4.239 1.287 342 HB3 LYS 584 HB1 LYS 584 58.208 -5.354 -0.075 343 HG2 LYS 584 HG2 LYS 584 56.818 -6.325 1.663 344 HG3 LYS 584 HG1 LYS 584 58.308 -7.259 1.551 345 HD2 LYS 584 HD2 LYS 584 57.790 -6.838 3.901 346 HD3 LYS 584 HD1 LYS 584 59.238 -5.939 3.452 347 HE2 LYS 584 HE2 LYS 584 58.170 -3.890 3.559 348 HE3 LYS 584 HE1 LYS 584 56.598 -4.569 3.140 349 HZ1 LYS 584 HZ1 LYS 584 57.707 -5.519 5.634 350 HZ2 LYS 584 HZ2 LYS 584 56.128 -5.012 5.268 351 HZ3 LYS 584 HZ3 LYS 584 57.331 -3.865 5.619 352 H GLY 585 HN GLY 585 60.737 -6.617 -0.971 353 HA2 GLY 585 HA2 GLY 585 60.485 -9.261 -0.133 354 HA3 GLY 585 HA1 GLY 585 61.659 -8.737 -1.332 355 H THR 586 HN THR 586 63.225 -7.070 0.504 356 HA THR 586 HA THR 586 64.133 -8.983 2.577 357 HB THR 586 HB THR 586 66.500 -8.852 1.718 358 HG1 THR 586 HG1 THR 586 66.437 -8.363 -0.662 359 HG21 THR 586 HG21 THR 586 66.205 -10.590 0.069 360 HG22 THR 586 HG22 THR 586 64.558 -10.059 -0.272 361 HG23 THR 586 HG23 THR 586 64.945 -10.793 1.285 362 H PHE 587 HN PHE 587 62.999 -6.280 2.714 363 HA PHE 587 HA PHE 587 65.344 -4.623 3.449 364 HB2 PHE 587 HB2 PHE 587 63.979 -2.787 3.290 365 HB3 PHE 587 HB1 PHE 587 63.036 -3.857 2.274 366 HD1 PHE 587 HD1 PHE 587 61.609 -5.624 3.995 367 HD2 PHE 587 HD2 PHE 587 62.608 -1.499 4.662 368 HE1 PHE 587 HE1 PHE 587 59.704 -5.415 5.566 369 HE2 PHE 587 HE2 PHE 587 60.700 -1.292 6.230 370 HZ PHE 587 HZ PHE 587 59.249 -3.249 6.684 371 H LYS 588 HN LYS 588 64.804 -3.279 5.540 372 HA LYS 588 HA LYS 588 63.712 -5.004 7.692 373 HB2 LYS 588 HB2 LYS 588 66.483 -3.788 7.573 374 HB3 LYS 588 HB1 LYS 588 65.735 -4.257 9.094 375 HG2 LYS 588 HG2 LYS 588 66.179 -6.123 6.743 376 HG3 LYS 588 HG1 LYS 588 67.223 -6.027 8.158 377 HD2 LYS 588 HD2 LYS 588 64.324 -6.885 8.082 378 HD3 LYS 588 HD1 LYS 588 65.718 -7.872 8.504 379 HE2 LYS 588 HE2 LYS 588 66.134 -6.189 10.402 380 HE3 LYS 588 HE1 LYS 588 64.504 -5.600 10.082 381 HZ1 LYS 588 HZ1 LYS 588 64.073 -7.201 11.623 382 HZ2 LYS 588 HZ2 LYS 588 65.373 -8.186 11.148 383 HZ3 LYS 588 HZ3 LYS 588 63.955 -8.138 10.215 384 H GLU 589 HN GLU 589 63.712 -3.475 9.807 385 HA GLU 589 HA GLU 589 63.438 -0.640 9.070 386 HB2 GLU 589 HB2 GLU 589 61.156 -0.407 9.433 387 HB3 GLU 589 HB1 GLU 589 61.215 -1.988 8.657 388 HG2 GLU 589 HG2 GLU 589 61.416 -2.932 11.064 389 HG3 GLU 589 HG1 GLU 589 60.857 -1.341 11.582 390 H GLN 590 HN GLN 590 63.301 0.749 10.866 391 HA GLN 590 HA GLN 590 63.436 -0.332 13.593 392 HB2 GLN 590 HB2 GLN 590 65.799 -0.471 12.707 393 HB3 GLN 590 HB1 GLN 590 65.752 1.273 12.467 394 HG2 GLN 590 HG2 GLN 590 66.785 0.943 14.589 395 HG3 GLN 590 HG1 GLN 590 65.142 1.473 14.937 396 HE21 GLN 590 HE21 GLN 590 66.284 -1.774 13.923 397 HE22 GLN 590 HE22 GLN 590 65.709 -2.579 15.303 398 H ASN 591 HN ASN 591 63.077 1.390 15.137 399 HA ASN 591 HA ASN 591 62.058 3.392 15.804 400 HB2 ASN 591 HB2 ASN 591 63.893 4.308 13.585 401 HB3 ASN 591 HB1 ASN 591 62.931 5.440 14.528 402 HD21 ASN 591 HD21 ASN 591 65.941 3.968 14.435 403 HD22 ASN 591 HD22 ASN 591 66.360 4.113 16.073 404 H ASP 592 HN ASP 592 60.902 1.746 13.430 405 HA ASP 592 HA ASP 592 58.820 1.892 12.332 406 HB2 ASP 592 HB2 ASP 592 58.466 3.791 14.165 407 HB3 ASP 592 HB1 ASP 592 58.631 4.846 12.758 408 H LYS 593 HN LYS 593 61.477 2.412 11.095 409 HA LYS 593 HA LYS 593 60.429 3.696 8.636 410 HB2 LYS 593 HB2 LYS 593 63.100 4.549 8.732 411 HB3 LYS 593 HB1 LYS 593 61.667 5.552 8.934 412 HG2 LYS 593 HG2 LYS 593 61.743 4.819 11.417 413 HG3 LYS 593 HG1 LYS 593 63.388 4.300 11.066 414 HD2 LYS 593 HD2 LYS 593 63.808 6.474 11.720 415 HD3 LYS 593 HD1 LYS 593 63.553 6.731 9.994 416 HE2 LYS 593 HE2 LYS 593 62.209 8.365 11.123 417 HE3 LYS 593 HE1 LYS 593 61.097 7.129 10.536 418 HZ1 LYS 593 HZ1 LYS 593 62.247 7.129 13.269 419 HZ2 LYS 593 HZ2 LYS 593 60.988 6.153 12.678 420 HZ3 LYS 593 HZ3 LYS 593 60.747 7.822 12.889 421 HA PRO 594 HA PRO 594 62.360 0.218 6.742 422 HB2 PRO 594 HB2 PRO 594 62.973 1.308 4.294 423 HB3 PRO 594 HB1 PRO 594 61.355 0.796 4.788 424 HG2 PRO 594 HG2 PRO 594 62.498 3.543 4.625 425 HG3 PRO 594 HG1 PRO 594 60.851 2.992 4.308 426 HD2 PRO 594 HD2 PRO 594 61.625 4.292 6.631 427 HD3 PRO 594 HD1 PRO 594 60.226 3.193 6.529 428 H TYR 595 HN TYR 595 64.329 -0.650 6.068 429 HA TYR 595 HA TYR 595 66.725 0.988 5.720 430 HB2 TYR 595 HB2 TYR 595 66.350 -0.755 8.184 431 HB3 TYR 595 HB1 TYR 595 67.916 -0.168 7.635 432 HD1 TYR 595 HD1 TYR 595 65.204 0.517 9.761 433 HD2 TYR 595 HD2 TYR 595 67.981 2.457 7.126 434 HE1 TYR 595 HE1 TYR 595 64.807 2.668 10.924 435 HE2 TYR 595 HE2 TYR 595 67.581 4.610 8.292 436 HH TYR 595 HH TYR 595 65.777 5.646 9.664 437 H CYS 596 HN CYS 596 67.927 -0.160 4.214 438 HA CYS 596 HA CYS 596 67.147 -2.665 3.193 439 HB2 CYS 596 HB2 CYS 596 70.075 -2.102 3.227 440 HB3 CYS 596 HB1 CYS 596 69.043 -2.589 1.885 441 H GLN 597 HN GLN 597 67.757 -4.791 3.674 442 HA GLN 597 HA GLN 597 68.145 -5.504 6.357 443 HB2 GLN 597 HB2 GLN 597 67.522 -7.358 5.152 444 HB3 GLN 597 HB1 GLN 597 68.408 -6.832 3.724 445 HG2 GLN 597 HG2 GLN 597 69.387 -8.890 4.672 446 HG3 GLN 597 HG1 GLN 597 70.522 -7.547 4.753 447 HE21 GLN 597 HE21 GLN 597 67.918 -7.337 7.042 448 HE22 GLN 597 HE22 GLN 597 68.791 -7.861 8.399 449 H ASN 598 HN ASN 598 70.505 -4.781 3.845 450 HA ASN 598 HA ASN 598 72.834 -5.469 5.414 451 HB2 ASN 598 HB2 ASN 598 72.905 -5.258 2.938 452 HB3 ASN 598 HB1 ASN 598 72.564 -3.534 3.087 453 HD21 ASN 598 HD21 ASN 598 74.951 -5.987 4.233 454 HD22 ASN 598 HD22 ASN 598 76.267 -4.916 4.241 455 H CYS 599 HN CYS 599 70.910 -2.542 4.899 456 HA CYS 599 HA CYS 599 72.615 -0.769 6.418 457 HB2 CYS 599 HB2 CYS 599 69.821 -0.690 5.362 458 HB3 CYS 599 HB1 CYS 599 70.191 0.386 6.705 459 H PHE 600 HN PHE 600 69.453 -2.254 7.264 460 HA PHE 600 HA PHE 600 69.429 -1.687 10.020 461 HB2 PHE 600 HB2 PHE 600 67.550 -2.751 8.852 462 HB3 PHE 600 HB1 PHE 600 68.513 -4.195 8.565 463 HD1 PHE 600 HD1 PHE 600 66.412 -2.408 10.917 464 HD2 PHE 600 HD2 PHE 600 69.280 -5.585 10.538 465 HE1 PHE 600 HE1 PHE 600 65.667 -3.343 13.088 466 HE2 PHE 600 HE2 PHE 600 68.539 -6.513 12.713 467 HZ PHE 600 HZ PHE 600 66.731 -5.393 13.988 468 H LEU 601 HN LEU 601 70.957 -4.372 8.292 469 HA LEU 601 HA LEU 601 72.078 -5.722 10.545 470 HB2 LEU 601 HB2 LEU 601 71.958 -6.740 8.328 471 HB3 LEU 601 HB1 LEU 601 72.990 -5.484 7.661 472 HG LEU 601 HG LEU 601 74.745 -6.266 9.389 473 HD11 LEU 601 HD11 LEU 601 72.845 -8.633 9.378 474 HD12 LEU 601 HD12 LEU 601 73.232 -7.619 10.767 475 HD13 LEU 601 HD13 LEU 601 74.474 -8.650 10.056 476 HD21 LEU 601 HD21 LEU 601 73.829 -7.943 7.039 477 HD22 LEU 601 HD22 LEU 601 75.362 -8.213 7.872 478 HD23 LEU 601 HD23 LEU 601 75.063 -6.683 7.045 479 H LYS 602 HN LYS 602 72.897 -2.834 8.832 480 HA LYS 602 HA LYS 602 75.588 -2.590 10.018 481 HB2 LYS 602 HB2 LYS 602 74.461 -1.710 7.658 482 HB3 LYS 602 HB1 LYS 602 74.421 -0.258 8.648 483 HG2 LYS 602 HG2 LYS 602 76.528 -0.188 7.589 484 HG3 LYS 602 HG1 LYS 602 76.871 -0.778 9.214 485 HD2 LYS 602 HD2 LYS 602 78.085 -2.230 7.768 486 HD3 LYS 602 HD1 LYS 602 76.650 -3.144 8.232 487 HE2 LYS 602 HE2 LYS 602 75.632 -2.861 6.143 488 HE3 LYS 602 HE1 LYS 602 76.598 -1.438 5.754 489 HZ1 LYS 602 HZ1 LYS 602 78.561 -2.914 5.670 490 HZ2 LYS 602 HZ2 LYS 602 77.396 -3.281 4.489 491 HZ3 LYS 602 HZ3 LYS 602 77.538 -4.251 5.877 492 H LEU 603 HN LEU 603 72.369 -1.110 10.286 493 HA LEU 603 HA LEU 603 73.284 0.822 12.293 494 HB2 LEU 603 HB2 LEU 603 70.387 0.221 11.774 495 HB3 LEU 603 HB1 LEU 603 71.146 1.754 12.172 496 HG LEU 603 HG LEU 603 71.283 0.293 9.530 497 HD11 LEU 603 HD11 LEU 603 70.161 2.303 8.680 498 HD12 LEU 603 HD12 LEU 603 70.178 3.006 10.297 499 HD13 LEU 603 HD13 LEU 603 69.211 1.567 9.972 500 HD21 LEU 603 HD21 LEU 603 73.461 1.272 9.893 501 HD22 LEU 603 HD22 LEU 603 72.743 2.765 10.498 502 HD23 LEU 603 HD23 LEU 603 72.584 2.336 8.794 503 H PHE 604 HN PHE 604 70.902 -1.838 12.293 504 HA PHE 604 HA PHE 604 70.684 -1.870 15.172 505 HB2 PHE 604 HB2 PHE 604 69.015 -2.741 13.375 506 HB3 PHE 604 HB1 PHE 604 69.991 -4.208 13.409 507 HD1 PHE 604 HD1 PHE 604 68.231 -1.815 15.696 508 HD2 PHE 604 HD2 PHE 604 69.582 -5.841 15.044 509 HE1 PHE 604 HE1 PHE 604 67.074 -2.538 17.766 510 HE2 PHE 604 HE2 PHE 604 68.424 -6.563 17.115 511 HZ PHE 604 HZ PHE 604 67.171 -4.912 18.475 512 H CYS 605 HN CYS 605 72.901 -3.286 12.919 513 HA CYS 605 HA CYS 605 74.260 -4.642 15.192 514 HB2 CYS 605 HB2 CYS 605 72.723 -6.210 13.742 515 HB3 CYS 605 HB1 CYS 605 74.038 -6.104 12.574 516 HG CYS 605 HG CYS 605 75.594 -6.877 14.736
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