NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
143700 | 2kis | 16293 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 613 H1 GLY 613 -17.656 14.730 0.426 2 H2 GLY 613 H2 GLY 613 -16.517 13.994 1.436 3 H3 GLY 613 H3 GLY 613 -16.025 15.167 0.323 4 HA2 GLY 613 HA2 GLY 613 -17.257 16.868 1.490 5 HA3 GLY 613 HA1 GLY 613 -17.835 15.657 2.624 6 H ALA 614 HN ALA 614 -14.703 16.683 1.261 7 HA ALA 614 HA ALA 614 -12.670 17.034 2.216 8 HB1 ALA 614 HB1 ALA 614 -14.309 17.851 4.612 9 HB2 ALA 614 HB2 ALA 614 -12.631 18.287 4.291 10 HB3 ALA 614 HB3 ALA 614 -13.915 18.891 3.243 11 H MET 615 HN MET 615 -12.440 14.654 2.118 12 HA MET 615 HA MET 615 -11.760 12.667 2.992 13 HB2 MET 615 HB2 MET 615 -11.189 14.273 5.487 14 HB3 MET 615 HB3 MET 615 -10.474 12.730 5.042 15 HG2 MET 615 HG2 MET 615 -9.360 13.762 3.153 16 HG3 MET 615 HG3 MET 615 -10.117 15.307 3.530 17 HE1 MET 615 HE1 MET 615 -6.393 15.995 4.473 18 HE2 MET 615 HE2 MET 615 -7.018 15.068 3.108 19 HE3 MET 615 HE3 MET 615 -7.801 16.576 3.584 20 H GLY 616 HN GLY 616 -13.722 11.583 3.035 21 HA2 GLY 616 HA1 GLY 616 -14.615 10.605 5.490 22 HA3 GLY 616 HA2 GLY 616 -15.690 11.919 5.037 23 H SER 617 HN SER 617 -15.284 11.265 2.138 24 HA SER 617 HA SER 617 -17.338 9.204 2.020 25 HB2 SER 617 HB2 SER 617 -16.220 11.069 -0.079 26 HB3 SER 617 HB3 SER 617 -17.451 9.849 -0.406 27 HG SER 617 HG SER 617 -17.702 12.295 0.748 28 H LEU 618 HN LEU 618 -15.033 9.674 -0.575 29 HA LEU 618 HA LEU 618 -14.431 6.829 -0.510 30 HB2 LEU 618 HB2 LEU 618 -15.017 7.777 -2.656 31 HB3 LEU 618 HB3 LEU 618 -13.750 8.982 -2.514 32 HG LEU 618 HG LEU 618 -12.081 7.089 -2.520 33 HD11 LEU 618 HD11 LEU 618 -12.822 4.943 -3.419 34 HD12 LEU 618 HD12 LEU 618 -13.586 5.295 -1.868 35 HD13 LEU 618 HD13 LEU 618 -14.496 5.497 -3.365 36 HD21 LEU 618 HD21 LEU 618 -12.551 8.468 -4.500 37 HD22 LEU 618 HD22 LEU 618 -12.137 6.806 -4.921 38 HD23 LEU 618 HD23 LEU 618 -13.819 7.336 -4.970 39 H GLU 619 HN GLU 619 -12.794 9.929 -0.193 40 HA GLU 619 HA GLU 619 -10.154 9.168 -0.230 41 HB2 GLU 619 HB2 GLU 619 -11.673 11.333 1.113 42 HB3 GLU 619 HB3 GLU 619 -10.044 11.027 1.703 43 HG2 GLU 619 HG2 GLU 619 -9.137 11.381 -0.492 44 HG3 GLU 619 HG3 GLU 619 -10.755 11.578 -1.168 45 H ALA 620 HN ALA 620 -12.434 8.970 2.463 46 HA ALA 620 HA ALA 620 -10.640 8.185 4.445 47 HB1 ALA 620 HB1 ALA 620 -12.619 7.203 5.577 48 HB2 ALA 620 HB2 ALA 620 -12.883 8.854 5.012 49 HB3 ALA 620 HB3 ALA 620 -13.557 7.495 4.110 50 H ARG 621 HN ARG 621 -12.539 6.237 2.169 51 HA ARG 621 HA ARG 621 -11.730 3.709 3.103 52 HB2 ARG 621 HB2 ARG 621 -13.646 4.270 1.506 53 HB3 ARG 621 HB3 ARG 621 -12.425 4.373 0.247 54 HG2 ARG 621 HG2 ARG 621 -11.765 2.036 0.837 55 HG3 ARG 621 HG3 ARG 621 -13.213 1.962 1.843 56 HD2 ARG 621 HD2 ARG 621 -12.950 2.098 -1.122 57 HD3 ARG 621 HD3 ARG 621 -14.004 1.089 -0.136 58 HE ARG 621 HE ARG 621 -14.495 3.976 -0.312 59 HH11 ARG 621 HH12 ARG 621 -15.501 0.692 -0.907 60 HH12 ARG 621 HH11 ARG 621 -17.125 1.130 -1.322 61 HH21 ARG 621 HH22 ARG 621 -16.630 4.559 -0.858 62 HH22 ARG 621 HH21 ARG 621 -17.766 3.326 -1.296 63 H MET 622 HN MET 622 -10.547 5.749 0.470 64 HA MET 622 HA MET 622 -8.460 4.045 -0.336 65 HB2 MET 622 HB2 MET 622 -9.469 5.925 -1.675 66 HB3 MET 622 HB3 MET 622 -8.570 7.044 -0.658 67 HG2 MET 622 HG2 MET 622 -6.484 5.902 -1.370 68 HG3 MET 622 HG3 MET 622 -7.447 4.956 -2.500 69 HE1 MET 622 HE1 MET 622 -5.378 7.571 -4.629 70 HE2 MET 622 HE2 MET 622 -4.895 6.863 -3.086 71 HE3 MET 622 HE3 MET 622 -5.654 5.856 -4.319 72 H LYS 623 HN LYS 623 -8.862 5.875 2.401 73 HA LYS 623 HA LYS 623 -6.037 6.394 2.868 74 HB2 LYS 623 HB2 LYS 623 -7.554 8.185 3.484 75 HB3 LYS 623 HB3 LYS 623 -8.500 7.088 4.478 76 HG2 LYS 623 HG2 LYS 623 -7.077 8.522 5.835 77 HG3 LYS 623 HG3 LYS 623 -6.630 6.825 6.009 78 HD2 LYS 623 HD2 LYS 623 -4.626 8.148 5.830 79 HD3 LYS 623 HD3 LYS 623 -4.807 7.187 4.362 80 HE2 LYS 623 HE2 LYS 623 -5.749 9.143 3.214 81 HE3 LYS 623 HE3 LYS 623 -5.540 10.098 4.681 82 HZ1 LYS 623 HZ1 LYS 623 -3.151 9.725 4.533 83 HZ2 LYS 623 HZ2 LYS 623 -3.733 10.473 3.132 84 HZ3 LYS 623 HZ3 LYS 623 -3.360 8.823 3.116 85 H GLN 624 HN GLN 624 -8.735 4.494 4.072 86 HA GLN 624 HA GLN 624 -7.351 3.244 6.192 87 HB2 GLN 624 HB2 GLN 624 -9.807 2.540 4.604 88 HB3 GLN 624 HB3 GLN 624 -9.152 1.413 5.785 89 HG2 GLN 624 HG2 GLN 624 -9.741 2.707 7.559 90 HG3 GLN 624 HG3 GLN 624 -9.626 4.208 6.645 91 HE21 GLN 624 HE21 GLN 624 -11.347 4.849 5.353 92 HE22 GLN 624 HE22 GLN 624 -12.934 4.196 5.549 93 H PHE 625 HN PHE 625 -7.311 2.928 2.787 94 HA PHE 625 HA PHE 625 -6.237 0.272 2.768 95 HB2 PHE 625 HB2 PHE 625 -7.623 1.585 0.911 96 HB3 PHE 625 HB3 PHE 625 -6.002 2.026 0.381 97 HD1 PHE 625 HD2 PHE 625 -4.441 0.317 -0.404 98 HD2 PHE 625 HD1 PHE 625 -8.427 -0.656 0.719 99 HE1 PHE 625 HE2 PHE 625 -4.222 -1.861 -1.527 100 HE2 PHE 625 HE1 PHE 625 -8.217 -2.834 -0.399 101 HZ PHE 625 HZ PHE 625 -6.112 -3.441 -1.523 102 H LYS 626 HN LYS 626 -5.044 3.514 1.930 103 HA LYS 626 HA LYS 626 -2.391 2.881 1.460 104 HB2 LYS 626 HB2 LYS 626 -3.727 5.153 1.330 105 HB3 LYS 626 HB3 LYS 626 -3.075 5.390 2.943 106 HG2 LYS 626 HG2 LYS 626 -1.366 4.786 0.543 107 HG3 LYS 626 HG3 LYS 626 -1.762 6.421 1.070 108 HD2 LYS 626 HD2 LYS 626 -0.356 4.349 2.754 109 HD3 LYS 626 HD3 LYS 626 0.442 5.656 1.881 110 HE2 LYS 626 HE2 LYS 626 -1.592 5.970 4.088 111 HE3 LYS 626 HE3 LYS 626 0.146 6.222 4.235 112 HZ1 LYS 626 HZ1 LYS 626 -1.694 7.787 2.507 113 HZ2 LYS 626 HZ2 LYS 626 -0.024 8.023 2.623 114 HZ3 LYS 626 HZ3 LYS 626 -1.014 8.314 3.964 115 H ASP 627 HN ASP 627 -4.050 3.576 4.496 116 HA ASP 627 HA ASP 627 -1.827 3.521 6.203 117 HB2 ASP 627 HB2 ASP 627 -4.006 4.371 6.926 118 HB3 ASP 627 HB3 ASP 627 -4.704 2.762 6.769 119 H MET 628 HN MET 628 -4.144 0.954 5.352 120 HA MET 628 HA MET 628 -3.073 -1.136 6.799 121 HB2 MET 628 HB2 MET 628 -5.147 -1.422 5.626 122 HB3 MET 628 HB3 MET 628 -4.373 -1.136 4.074 123 HG2 MET 628 HG2 MET 628 -3.088 -3.209 4.353 124 HG3 MET 628 HG3 MET 628 -3.921 -3.503 5.878 125 HE1 MET 628 HE1 MET 628 -5.440 -1.949 2.618 126 HE2 MET 628 HE2 MET 628 -4.329 -3.158 1.978 127 HE3 MET 628 HE3 MET 628 -6.069 -3.376 1.797 128 H LEU 629 HN LEU 629 -2.060 0.154 3.681 129 HA LEU 629 HA LEU 629 -0.189 -1.806 2.995 130 HB2 LEU 629 HB2 LEU 629 -0.663 1.041 2.292 131 HB3 LEU 629 HB3 LEU 629 0.904 0.374 1.900 132 HG LEU 629 HG LEU 629 -0.028 -1.211 0.398 133 HD11 LEU 629 HD11 LEU 629 -2.769 -0.364 1.319 134 HD12 LEU 629 HD12 LEU 629 -2.393 -1.584 0.104 135 HD13 LEU 629 HD13 LEU 629 -1.964 -1.861 1.792 136 HD21 LEU 629 HD21 LEU 629 -1.555 1.364 0.062 137 HD22 LEU 629 HD22 LEU 629 0.123 1.105 -0.419 138 HD23 LEU 629 HD23 LEU 629 -1.168 0.194 -1.201 139 H LEU 630 HN LEU 630 0.044 1.086 4.988 140 HA LEU 630 HA LEU 630 2.860 0.706 5.518 141 HB2 LEU 630 HB2 LEU 630 1.765 2.939 5.361 142 HB3 LEU 630 HB3 LEU 630 0.923 2.578 6.853 143 HG LEU 630 HG LEU 630 2.830 2.811 8.152 144 HD11 LEU 630 HD11 LEU 630 4.465 2.368 5.655 145 HD12 LEU 630 HD12 LEU 630 5.133 2.796 7.230 146 HD13 LEU 630 HD13 LEU 630 4.290 1.263 7.018 147 HD21 LEU 630 HD21 LEU 630 3.227 4.642 5.803 148 HD22 LEU 630 HD22 LEU 630 2.197 4.943 7.202 149 HD23 LEU 630 HD23 LEU 630 3.948 4.861 7.397 150 H GLU 631 HN GLU 631 0.091 -0.745 6.613 151 HA GLU 631 HA GLU 631 0.847 -0.996 9.395 152 HB2 GLU 631 HB2 GLU 631 -1.396 -2.161 7.755 153 HB3 GLU 631 HB3 GLU 631 -1.114 -2.627 9.425 154 HG2 GLU 631 HG2 GLU 631 -1.716 0.151 8.439 155 HG3 GLU 631 HG3 GLU 631 -2.835 -0.929 9.270 156 H ARG 632 HN ARG 632 0.477 -3.265 6.649 157 HA ARG 632 HA ARG 632 2.073 -5.219 8.142 158 HB2 ARG 632 HB2 ARG 632 0.605 -5.582 5.526 159 HB3 ARG 632 HB3 ARG 632 1.339 -6.847 6.499 160 HG2 ARG 632 HG2 ARG 632 -0.788 -7.103 7.181 161 HG3 ARG 632 HG3 ARG 632 -0.311 -5.847 8.326 162 HD2 ARG 632 HD2 ARG 632 -1.116 -4.203 6.505 163 HD3 ARG 632 HD3 ARG 632 -1.949 -5.603 5.829 164 HE ARG 632 HE ARG 632 -2.713 -4.111 8.133 165 HH11 ARG 632 HH12 ARG 632 -2.736 -7.306 6.739 166 HH12 ARG 632 HH11 ARG 632 -4.135 -7.819 7.621 167 HH21 ARG 632 HH22 ARG 632 -4.554 -4.780 9.298 168 HH22 ARG 632 HH21 ARG 632 -5.168 -6.383 9.075 169 H GLY 633 HN GLY 633 2.436 -2.824 5.851 170 HA2 GLY 633 HA1 GLY 633 4.319 -2.156 4.700 171 HA3 GLY 633 HA2 GLY 633 5.157 -3.563 5.345 172 H VAL 634 HN VAL 634 3.052 -2.387 2.827 173 HA VAL 634 HA VAL 634 3.135 -4.822 1.310 174 HB VAL 634 HB VAL 634 2.090 -2.052 0.677 175 HG11 VAL 634 HG11 VAL 634 2.775 -4.123 -1.171 176 HG12 VAL 634 HG12 VAL 634 1.023 -3.924 -1.141 177 HG13 VAL 634 HG13 VAL 634 2.063 -2.543 -1.489 178 HG21 VAL 634 HG21 VAL 634 -0.098 -3.178 0.776 179 HG22 VAL 634 HG22 VAL 634 0.713 -4.679 1.227 180 HG23 VAL 634 HG23 VAL 634 0.781 -3.280 2.300 181 H SER 635 HN SER 635 5.533 -4.632 1.730 182 HA SER 635 HA SER 635 7.593 -3.454 1.089 183 HB2 SER 635 HB2 SER 635 7.665 -5.840 0.987 184 HB3 SER 635 HB3 SER 635 6.806 -5.849 -0.551 185 HG SER 635 HG SER 635 9.088 -4.331 -0.571 186 H ALA 636 HN ALA 636 7.871 -1.612 0.085 187 HA ALA 636 HA ALA 636 6.549 -0.829 -2.279 188 HB1 ALA 636 HB1 ALA 636 9.054 0.395 -1.155 189 HB2 ALA 636 HB2 ALA 636 7.798 1.176 -2.117 190 HB3 ALA 636 HB3 ALA 636 7.450 0.655 -0.465 191 H PHE 637 HN PHE 637 8.589 -3.241 -2.172 192 HA PHE 637 HA PHE 637 9.439 -2.895 -4.905 193 HB2 PHE 637 HB2 PHE 637 11.832 -3.719 -4.073 194 HB3 PHE 637 HB3 PHE 637 11.431 -2.012 -4.204 195 HD1 PHE 637 HD1 PHE 637 11.131 -4.773 -1.704 196 HD2 PHE 637 HD2 PHE 637 12.017 -0.674 -2.442 197 HE1 PHE 637 HE1 PHE 637 11.676 -4.463 0.676 198 HE2 PHE 637 HE2 PHE 637 12.561 -0.360 -0.067 199 HZ PHE 637 HZ PHE 637 12.391 -2.252 1.496 200 H SER 638 HN SER 638 7.584 -4.604 -4.216 201 HA SER 638 HA SER 638 8.848 -7.194 -4.602 202 HB2 SER 638 HB2 SER 638 7.045 -6.550 -2.272 203 HB3 SER 638 HB3 SER 638 7.269 -8.198 -2.855 204 HG SER 638 HG SER 638 9.428 -8.073 -2.350 205 H THR 639 HN THR 639 6.760 -8.879 -4.616 206 HA THR 639 HA THR 639 5.211 -7.882 -6.857 207 HB THR 639 HB THR 639 6.002 -10.026 -7.291 208 HG1 THR 639 HG1 THR 639 4.108 -11.237 -7.468 209 HG21 THR 639 HG21 THR 639 5.059 -10.824 -4.541 210 HG22 THR 639 HG22 THR 639 6.730 -10.661 -5.077 211 HG23 THR 639 HG23 THR 639 5.711 -11.938 -5.741 212 H TRP 640 HN TRP 640 3.187 -7.308 -6.827 213 HA TRP 640 HA TRP 640 1.777 -6.579 -4.628 214 HB2 TRP 640 HB2 TRP 640 1.085 -5.732 -6.701 215 HB3 TRP 640 HB3 TRP 640 0.914 -7.335 -7.402 216 HD1 TRP 640 HD1 TRP 640 -1.386 -8.569 -7.090 217 HE1 TRP 640 HE1 TRP 640 -3.693 -7.791 -6.227 218 HE3 TRP 640 HE3 TRP 640 -0.009 -4.162 -4.906 219 HZ2 TRP 640 HZ2 TRP 640 -4.773 -5.612 -4.809 220 HZ3 TRP 640 HZ3 TRP 640 -1.737 -2.791 -3.812 221 HH2 TRP 640 HH2 TRP 640 -4.069 -3.506 -3.765 222 H GLU 641 HN GLU 641 2.046 -9.814 -5.879 223 HA GLU 641 HA GLU 641 -0.301 -10.799 -4.560 224 HB2 GLU 641 HB2 GLU 641 0.933 -11.773 -6.628 225 HB3 GLU 641 HB3 GLU 641 1.979 -12.540 -5.441 226 HG2 GLU 641 HG2 GLU 641 -0.975 -12.837 -5.218 227 HG3 GLU 641 HG3 GLU 641 -0.083 -13.802 -6.391 228 H LYS 642 HN LYS 642 3.181 -10.963 -3.877 229 HA LYS 642 HA LYS 642 2.952 -12.423 -1.488 230 HB2 LYS 642 HB2 LYS 642 4.976 -10.439 -2.498 231 HB3 LYS 642 HB3 LYS 642 5.098 -11.087 -0.870 232 HG2 LYS 642 HG2 LYS 642 5.234 -13.347 -1.765 233 HG3 LYS 642 HG3 LYS 642 5.072 -12.715 -3.403 234 HD2 LYS 642 HD2 LYS 642 7.405 -13.191 -2.889 235 HD3 LYS 642 HD3 LYS 642 7.157 -11.459 -3.118 236 HE2 LYS 642 HE2 LYS 642 8.604 -11.880 -1.208 237 HE3 LYS 642 HE3 LYS 642 7.084 -11.149 -0.696 238 HZ1 LYS 642 HZ1 LYS 642 7.752 -14.040 -0.542 239 HZ2 LYS 642 HZ2 LYS 642 6.290 -13.342 -0.055 240 HZ3 LYS 642 HZ3 LYS 642 7.722 -12.962 0.762 241 H GLU 643 HN GLU 643 2.712 -9.058 -2.324 242 HA GLU 643 HA GLU 643 2.361 -8.079 0.296 243 HB2 GLU 643 HB2 GLU 643 1.378 -6.791 -2.243 244 HB3 GLU 643 HB3 GLU 643 1.773 -6.000 -0.724 245 HG2 GLU 643 HG2 GLU 643 3.619 -7.163 -2.769 246 HG3 GLU 643 HG3 GLU 643 3.597 -5.535 -2.098 247 H LEU 644 HN LEU 644 0.309 -9.644 -1.980 248 HA LEU 644 HA LEU 644 -2.186 -8.738 -1.073 249 HB2 LEU 644 HB2 LEU 644 -1.281 -10.836 -2.779 250 HB3 LEU 644 HB3 LEU 644 -2.412 -11.510 -1.642 251 HG LEU 644 HG LEU 644 -4.085 -9.868 -2.342 252 HD11 LEU 644 HD11 LEU 644 -2.587 -8.077 -3.008 253 HD12 LEU 644 HD12 LEU 644 -2.024 -9.049 -4.367 254 HD13 LEU 644 HD13 LEU 644 -3.697 -8.498 -4.310 255 HD21 LEU 644 HD21 LEU 644 -4.499 -10.822 -4.556 256 HD22 LEU 644 HD22 LEU 644 -2.853 -11.457 -4.577 257 HD23 LEU 644 HD23 LEU 644 -4.011 -12.051 -3.388 258 H HIS 645 HN HIS 645 -0.828 -11.966 -0.361 259 HA HIS 645 HA HIS 645 -2.453 -12.563 1.724 260 HB2 HIS 645 HB2 HIS 645 -0.763 -14.068 2.613 261 HB3 HIS 645 HB3 HIS 645 -0.814 -14.157 0.860 262 HD2 HIS 645 HD2 HIS 645 1.570 -13.934 -0.331 263 HE1 HIS 645 HE1 HIS 645 3.683 -12.412 3.005 264 HE2 HIS 645 HE2 HIS 645 3.899 -13.413 0.685 265 H LYS 646 HN LYS 646 0.383 -10.494 1.845 266 HA LYS 646 HA LYS 646 0.655 -10.149 4.580 267 HB2 LYS 646 HB2 LYS 646 1.020 -8.171 2.334 268 HB3 LYS 646 HB3 LYS 646 1.469 -7.823 3.997 269 HG2 LYS 646 HG2 LYS 646 2.549 -10.325 2.899 270 HG3 LYS 646 HG3 LYS 646 3.145 -8.844 2.152 271 HD2 LYS 646 HD2 LYS 646 4.616 -9.421 3.954 272 HD3 LYS 646 HD3 LYS 646 3.693 -7.997 4.433 273 HE2 LYS 646 HE2 LYS 646 2.175 -9.422 5.724 274 HE3 LYS 646 HE3 LYS 646 3.102 -10.843 5.244 275 HZ1 LYS 646 HZ1 LYS 646 4.127 -8.564 6.851 276 HZ2 LYS 646 HZ2 LYS 646 5.027 -9.917 6.384 277 HZ3 LYS 646 HZ3 LYS 646 3.724 -10.095 7.449 278 H ILE 647 HN ILE 647 -1.524 -8.393 2.390 279 HA ILE 647 HA ILE 647 -2.779 -7.072 4.686 280 HB ILE 647 HB ILE 647 -3.946 -5.724 2.922 281 HG12 ILE 647 HG12 ILE 647 -2.205 -7.469 1.208 282 HG13 ILE 647 HG13 ILE 647 -3.902 -7.062 1.002 283 HG21 ILE 647 HG21 ILE 647 -2.007 -4.334 2.472 284 HG22 ILE 647 HG22 ILE 647 -1.943 -4.955 4.121 285 HG23 ILE 647 HG23 ILE 647 -0.930 -5.674 2.869 286 HD11 ILE 647 HD11 ILE 647 -1.585 -5.199 0.572 287 HD12 ILE 647 HD12 ILE 647 -2.499 -6.035 -0.686 288 HD13 ILE 647 HD13 ILE 647 -3.292 -4.822 0.319 289 H VAL 648 HN VAL 648 -3.746 -8.904 1.789 290 HA VAL 648 HA VAL 648 -6.424 -9.012 1.957 291 HB VAL 648 HB VAL 648 -6.437 -11.029 0.755 292 HG11 VAL 648 HG11 VAL 648 -4.312 -10.799 -0.695 293 HG12 VAL 648 HG12 VAL 648 -5.536 -9.533 -0.681 294 HG13 VAL 648 HG13 VAL 648 -4.064 -9.340 0.261 295 HG21 VAL 648 HG21 VAL 648 -5.366 -12.584 2.103 296 HG22 VAL 648 HG22 VAL 648 -4.320 -12.466 0.687 297 HG23 VAL 648 HG23 VAL 648 -3.885 -11.632 2.179 298 H PHE 649 HN PHE 649 -4.219 -10.594 4.206 299 HA PHE 649 HA PHE 649 -5.972 -12.396 5.401 300 HB2 PHE 649 HB2 PHE 649 -3.540 -10.972 6.209 301 HB3 PHE 649 HB3 PHE 649 -4.606 -11.335 7.562 302 HD1 PHE 649 HD1 PHE 649 -3.235 -13.031 4.529 303 HD2 PHE 649 HD2 PHE 649 -4.281 -13.325 8.643 304 HE1 PHE 649 HE1 PHE 649 -2.382 -15.339 4.577 305 HE2 PHE 649 HE2 PHE 649 -3.430 -15.632 8.699 306 HZ PHE 649 HZ PHE 649 -2.478 -16.642 6.665 307 H ASP 650 HN ASP 650 -6.347 -9.152 5.002 308 HA ASP 650 HA ASP 650 -8.300 -8.858 7.177 309 HB2 ASP 650 HB2 ASP 650 -6.091 -7.252 6.550 310 HB3 ASP 650 HB3 ASP 650 -7.465 -6.386 5.883 311 HA PRO 651 HA PRO 651 -11.231 -8.360 3.856 312 HB2 PRO 651 HB2 PRO 651 -13.306 -7.273 5.152 313 HB3 PRO 651 HB3 PRO 651 -12.774 -8.925 5.493 314 HG2 PRO 651 HG2 PRO 651 -12.271 -6.414 7.035 315 HG3 PRO 651 HG3 PRO 651 -12.642 -8.040 7.632 316 HD2 PRO 651 HD2 PRO 651 -10.104 -6.942 7.508 317 HD3 PRO 651 HD3 PRO 651 -10.453 -8.681 7.567 318 H ARG 652 HN ARG 652 -9.826 -5.677 5.416 319 HA ARG 652 HA ARG 652 -11.280 -3.687 3.936 320 HB2 ARG 652 HB2 ARG 652 -9.632 -2.096 4.837 321 HB3 ARG 652 HB3 ARG 652 -10.356 -3.083 6.097 322 HG2 ARG 652 HG2 ARG 652 -8.381 -4.439 6.240 323 HG3 ARG 652 HG3 ARG 652 -7.663 -3.598 4.867 324 HD2 ARG 652 HD2 ARG 652 -7.717 -1.497 6.160 325 HD3 ARG 652 HD3 ARG 652 -8.373 -2.383 7.536 326 HE ARG 652 HE ARG 652 -5.913 -3.496 6.609 327 HH11 ARG 652 HH12 ARG 652 -7.293 -0.940 8.535 328 HH12 ARG 652 HH11 ARG 652 -5.892 -0.767 9.540 329 HH21 ARG 652 HH22 ARG 652 -4.065 -3.273 7.927 330 HH22 ARG 652 HH21 ARG 652 -4.058 -2.094 9.194 331 H TYR 653 HN TYR 653 -9.016 -5.942 3.120 332 HA TYR 653 HA TYR 653 -7.407 -4.452 1.303 333 HB2 TYR 653 HB2 TYR 653 -6.366 -6.451 1.824 334 HB3 TYR 653 HB3 TYR 653 -7.876 -7.347 1.870 335 HD1 TYR 653 HD2 TYR 653 -5.364 -5.856 -0.452 336 HD2 TYR 653 HD1 TYR 653 -8.604 -8.574 0.009 337 HE1 TYR 653 HE2 TYR 653 -4.934 -6.743 -2.698 338 HE2 TYR 653 HE1 TYR 653 -8.183 -9.467 -2.235 339 HH TYR 653 HH TYR 653 -5.351 -8.795 -3.981 340 H LEU 654 HN LEU 654 -10.566 -5.690 1.321 341 HA LEU 654 HA LEU 654 -10.836 -5.596 -1.583 342 HB2 LEU 654 HB2 LEU 654 -12.859 -6.469 0.466 343 HB3 LEU 654 HB3 LEU 654 -12.945 -6.714 -1.268 344 HG LEU 654 HG LEU 654 -10.854 -7.949 0.524 345 HD11 LEU 654 HD11 LEU 654 -13.355 -9.162 -0.640 346 HD12 LEU 654 HD12 LEU 654 -12.090 -10.034 0.227 347 HD13 LEU 654 HD13 LEU 654 -13.057 -8.822 1.065 348 HD21 LEU 654 HD21 LEU 654 -10.088 -7.679 -1.747 349 HD22 LEU 654 HD22 LEU 654 -10.433 -9.380 -1.435 350 HD23 LEU 654 HD23 LEU 654 -11.572 -8.408 -2.367 351 H LEU 655 HN LEU 655 -10.503 -3.161 -0.007 352 HA LEU 655 HA LEU 655 -13.093 -1.914 0.153 353 HB2 LEU 655 HB2 LEU 655 -10.285 -0.956 0.577 354 HB3 LEU 655 HB3 LEU 655 -11.621 0.173 0.525 355 HG LEU 655 HG LEU 655 -11.387 -2.124 2.471 356 HD11 LEU 655 HD11 LEU 655 -10.933 0.829 2.877 357 HD12 LEU 655 HD12 LEU 655 -10.930 -0.401 4.141 358 HD13 LEU 655 HD13 LEU 655 -9.691 -0.424 2.887 359 HD21 LEU 655 HD21 LEU 655 -13.336 0.175 2.340 360 HD22 LEU 655 HD22 LEU 655 -13.699 -1.511 1.973 361 HD23 LEU 655 HD23 LEU 655 -13.254 -1.042 3.614 362 H LEU 656 HN LEU 656 -10.227 -0.631 -1.534 363 HA LEU 656 HA LEU 656 -11.865 0.719 -3.443 364 HB2 LEU 656 HB2 LEU 656 -8.887 0.270 -3.324 365 HB3 LEU 656 HB3 LEU 656 -9.663 1.175 -4.600 366 HG LEU 656 HG LEU 656 -8.801 2.761 -3.077 367 HD11 LEU 656 HD11 LEU 656 -11.753 2.443 -2.573 368 HD12 LEU 656 HD12 LEU 656 -10.811 3.901 -2.256 369 HD13 LEU 656 HD13 LEU 656 -11.002 3.315 -3.908 370 HD21 LEU 656 HD21 LEU 656 -9.541 2.732 -0.663 371 HD22 LEU 656 HD22 LEU 656 -10.069 1.075 -0.940 372 HD23 LEU 656 HD23 LEU 656 -8.369 1.504 -1.136 373 H ASN 657 HN ASN 657 -11.959 0.415 -5.680 374 HA ASN 657 HA ASN 657 -12.070 -2.341 -6.487 375 HB2 ASN 657 HB2 ASN 657 -12.452 0.148 -8.172 376 HB3 ASN 657 HB3 ASN 657 -12.986 -1.483 -8.568 377 HD21 ASN 657 HD21 ASN 657 -13.530 1.306 -6.568 378 HD22 ASN 657 HD22 ASN 657 -15.117 0.873 -6.047 379 HA PRO 658 HA PRO 658 -8.212 -3.004 -8.541 380 HB2 PRO 658 HB2 PRO 658 -9.724 -3.139 -11.123 381 HB3 PRO 658 HB3 PRO 658 -8.504 -4.248 -10.474 382 HG2 PRO 658 HG2 PRO 658 -11.017 -4.955 -10.294 383 HG3 PRO 658 HG3 PRO 658 -9.977 -5.102 -8.858 384 HD2 PRO 658 HD2 PRO 658 -11.993 -2.969 -9.499 385 HD3 PRO 658 HD3 PRO 658 -11.726 -3.846 -7.975 386 H LYS 659 HN LYS 659 -10.087 -0.315 -9.247 387 HA LYS 659 HA LYS 659 -8.124 0.852 -11.077 388 HB2 LYS 659 HB2 LYS 659 -10.487 1.144 -11.657 389 HB3 LYS 659 HB3 LYS 659 -10.795 1.893 -10.096 390 HG2 LYS 659 HG2 LYS 659 -9.368 3.764 -10.682 391 HG3 LYS 659 HG3 LYS 659 -8.974 3.002 -12.225 392 HD2 LYS 659 HD2 LYS 659 -11.766 3.765 -11.377 393 HD3 LYS 659 HD3 LYS 659 -10.721 4.781 -12.372 394 HE2 LYS 659 HE2 LYS 659 -10.621 3.027 -14.067 395 HE3 LYS 659 HE3 LYS 659 -11.633 1.988 -13.065 396 HZ1 LYS 659 HZ1 LYS 659 -13.424 3.590 -13.262 397 HZ2 LYS 659 HZ2 LYS 659 -12.912 3.095 -14.796 398 HZ3 LYS 659 HZ3 LYS 659 -12.452 4.609 -14.200 399 H GLU 660 HN GLU 660 -9.909 1.883 -8.177 400 HA GLU 660 HA GLU 660 -8.061 3.897 -7.474 401 HB2 GLU 660 HB2 GLU 660 -10.082 2.466 -5.742 402 HB3 GLU 660 HB3 GLU 660 -9.250 3.954 -5.315 403 HG2 GLU 660 HG2 GLU 660 -11.160 3.586 -7.608 404 HG3 GLU 660 HG3 GLU 660 -11.509 4.394 -6.081 405 H ARG 661 HN ARG 661 -8.164 0.476 -6.936 406 HA ARG 661 HA ARG 661 -6.336 0.490 -4.715 407 HB2 ARG 661 HB2 ARG 661 -8.026 -1.298 -5.068 408 HB3 ARG 661 HB3 ARG 661 -7.161 -1.795 -6.516 409 HG2 ARG 661 HG2 ARG 661 -5.352 -2.610 -5.304 410 HG3 ARG 661 HG3 ARG 661 -5.794 -1.702 -3.857 411 HD2 ARG 661 HD2 ARG 661 -6.280 -4.097 -3.624 412 HD3 ARG 661 HD3 ARG 661 -7.737 -3.109 -3.531 413 HE ARG 661 HE ARG 661 -7.357 -3.956 -6.185 414 HH11 ARG 661 HH12 ARG 661 -8.217 -5.221 -3.055 415 HH12 ARG 661 HH11 ARG 661 -9.192 -6.501 -3.696 416 HH21 ARG 661 HH22 ARG 661 -8.640 -5.639 -7.040 417 HH22 ARG 661 HH21 ARG 661 -9.432 -6.739 -5.962 418 H LYS 662 HN LYS 662 -6.157 0.235 -8.189 419 HA LYS 662 HA LYS 662 -3.509 -0.719 -8.393 420 HB2 LYS 662 HB2 LYS 662 -5.151 -0.714 -10.258 421 HB3 LYS 662 HB3 LYS 662 -5.019 1.035 -10.340 422 HG2 LYS 662 HG2 LYS 662 -3.681 0.065 -12.072 423 HG3 LYS 662 HG3 LYS 662 -2.617 0.792 -10.868 424 HD2 LYS 662 HD2 LYS 662 -3.284 -2.060 -10.474 425 HD3 LYS 662 HD3 LYS 662 -2.265 -1.681 -11.863 426 HE2 LYS 662 HE2 LYS 662 -0.681 -0.540 -10.420 427 HE3 LYS 662 HE3 LYS 662 -1.719 -0.823 -9.022 428 HZ1 LYS 662 HZ1 LYS 662 0.134 -2.405 -9.184 429 HZ2 LYS 662 HZ2 LYS 662 -0.473 -2.963 -10.660 430 HZ3 LYS 662 HZ3 LYS 662 -1.371 -3.175 -9.243 431 H GLN 663 HN GLN 663 -4.880 2.535 -8.261 432 HA GLN 663 HA GLN 663 -2.426 3.898 -8.642 433 HB2 GLN 663 HB2 GLN 663 -4.028 5.623 -7.156 434 HB3 GLN 663 HB3 GLN 663 -3.896 5.562 -8.906 435 HG2 GLN 663 HG2 GLN 663 -5.859 4.359 -9.141 436 HG3 GLN 663 HG3 GLN 663 -5.827 3.792 -7.472 437 HE21 GLN 663 HE21 GLN 663 -6.667 5.043 -5.868 438 HE22 GLN 663 HE22 GLN 663 -7.562 6.490 -6.159 439 H VAL 664 HN VAL 664 -4.250 2.971 -5.742 440 HA VAL 664 HA VAL 664 -2.654 4.227 -3.836 441 HB VAL 664 HB VAL 664 -4.193 1.640 -3.598 442 HG11 VAL 664 HG11 VAL 664 -2.944 3.380 -1.479 443 HG12 VAL 664 HG12 VAL 664 -4.163 2.147 -1.148 444 HG13 VAL 664 HG13 VAL 664 -2.601 1.685 -1.821 445 HG21 VAL 664 HG21 VAL 664 -4.986 4.347 -2.573 446 HG22 VAL 664 HG22 VAL 664 -5.388 3.813 -4.204 447 HG23 VAL 664 HG23 VAL 664 -5.992 2.919 -2.811 448 H PHE 665 HN PHE 665 -2.149 1.178 -5.529 449 HA PHE 665 HA PHE 665 0.015 0.341 -3.847 450 HB2 PHE 665 HB2 PHE 665 -1.302 -1.305 -5.067 451 HB3 PHE 665 HB3 PHE 665 -0.806 -0.598 -6.601 452 HD1 PHE 665 HD2 PHE 665 0.984 -1.688 -3.504 453 HD2 PHE 665 HD1 PHE 665 0.663 -1.942 -7.739 454 HE1 PHE 665 HE2 PHE 665 2.930 -3.188 -3.558 455 HE2 PHE 665 HE1 PHE 665 2.609 -3.442 -7.802 456 HZ PHE 665 HZ PHE 665 3.747 -4.068 -5.710 457 H ASP 666 HN ASP 666 -0.072 1.514 -7.224 458 HA ASP 666 HA ASP 666 2.719 1.630 -7.547 459 HB2 ASP 666 HB2 ASP 666 1.090 1.657 -9.416 460 HB3 ASP 666 HB3 ASP 666 0.616 3.288 -8.953 461 H GLN 667 HN GLN 667 0.424 3.897 -6.233 462 HA GLN 667 HA GLN 667 2.201 6.132 -6.211 463 HB2 GLN 667 HB2 GLN 667 -0.534 5.558 -5.147 464 HB3 GLN 667 HB3 GLN 667 0.348 6.956 -4.530 465 HG2 GLN 667 HG2 GLN 667 -0.119 6.441 -7.445 466 HG3 GLN 667 HG3 GLN 667 -1.208 7.388 -6.437 467 HE21 GLN 667 HE21 GLN 667 1.920 7.239 -7.937 468 HE22 GLN 667 HE22 GLN 667 2.325 8.907 -7.739 469 H TYR 668 HN TYR 668 1.339 3.578 -3.969 470 HA TYR 668 HA TYR 668 2.562 4.802 -1.694 471 HB2 TYR 668 HB2 TYR 668 0.819 3.204 -1.303 472 HB3 TYR 668 HB3 TYR 668 1.632 1.993 -2.291 473 HD1 TYR 668 HD2 TYR 668 1.963 3.926 0.864 474 HD2 TYR 668 HD1 TYR 668 3.102 0.473 -1.336 475 HE1 TYR 668 HE2 TYR 668 3.074 3.027 2.860 476 HE2 TYR 668 HE1 TYR 668 4.213 -0.437 0.648 477 HH TYR 668 HH TYR 668 5.187 0.361 2.750 478 H VAL 669 HN VAL 669 3.420 2.131 -3.857 479 HA VAL 669 HA VAL 669 5.929 1.583 -2.756 480 HB VAL 669 HB VAL 669 6.428 0.404 -4.823 481 HG11 VAL 669 HG11 VAL 669 4.967 -0.677 -3.204 482 HG12 VAL 669 HG12 VAL 669 3.558 0.050 -3.977 483 HG13 VAL 669 HG13 VAL 669 4.530 -1.134 -4.850 484 HG21 VAL 669 HG21 VAL 669 4.827 0.441 -6.702 485 HG22 VAL 669 HG22 VAL 669 3.952 1.742 -5.898 486 HG23 VAL 669 HG23 VAL 669 5.608 2.000 -6.440 487 H LYS 670 HN LYS 670 4.891 4.004 -5.048 488 HA LYS 670 HA LYS 670 7.475 4.632 -6.042 489 HB2 LYS 670 HB2 LYS 670 5.411 5.201 -7.254 490 HB3 LYS 670 HB3 LYS 670 4.983 6.337 -5.982 491 HG2 LYS 670 HG2 LYS 670 7.620 6.715 -7.244 492 HG3 LYS 670 HG3 LYS 670 6.204 7.058 -8.241 493 HD2 LYS 670 HD2 LYS 670 6.643 8.205 -5.488 494 HD3 LYS 670 HD3 LYS 670 7.102 9.022 -6.978 495 HE2 LYS 670 HE2 LYS 670 4.751 8.930 -7.720 496 HE3 LYS 670 HE3 LYS 670 4.317 8.192 -6.180 497 HZ1 LYS 670 HZ1 LYS 670 5.503 10.891 -6.539 498 HZ2 LYS 670 HZ2 LYS 670 5.116 10.183 -5.053 499 HZ3 LYS 670 HZ3 LYS 670 3.889 10.559 -6.153 500 H THR 671 HN THR 671 5.370 6.453 -3.794 501 HA THR 671 HA THR 671 7.414 8.288 -3.085 502 HB THR 671 HB THR 671 5.145 8.974 -2.802 503 HG1 THR 671 HG1 THR 671 5.217 9.514 -0.489 504 HG21 THR 671 HG21 THR 671 4.737 6.963 -0.610 505 HG22 THR 671 HG22 THR 671 4.360 6.581 -2.288 506 HG23 THR 671 HG23 THR 671 3.531 7.912 -1.482 507 H ARG 672 HN ARG 672 6.102 5.459 -1.362 508 HA ARG 672 HA ARG 672 7.616 5.676 0.957 509 HB2 ARG 672 HB2 ARG 672 5.732 4.109 0.670 510 HB3 ARG 672 HB3 ARG 672 6.722 3.130 -0.402 511 HG2 ARG 672 HG2 ARG 672 6.780 2.055 1.686 512 HG3 ARG 672 HG3 ARG 672 8.334 2.873 1.529 513 HD2 ARG 672 HD2 ARG 672 5.981 4.067 2.978 514 HD3 ARG 672 HD3 ARG 672 7.202 3.075 3.775 515 HE ARG 672 HE ARG 672 8.595 5.043 2.455 516 HH11 ARG 672 HH12 ARG 672 6.120 4.931 4.907 517 HH12 ARG 672 HH11 ARG 672 6.635 6.397 5.674 518 HH21 ARG 672 HH22 ARG 672 9.279 6.972 3.460 519 HH22 ARG 672 HH21 ARG 672 8.429 7.555 4.852 520 H ALA 673 HN ALA 673 8.388 3.840 -2.011 521 HA ALA 673 HA ALA 673 10.816 2.777 -1.151 522 HB1 ALA 673 HB1 ALA 673 10.067 3.586 -3.956 523 HB2 ALA 673 HB2 ALA 673 11.366 2.482 -3.504 524 HB3 ALA 673 HB3 ALA 673 9.687 2.046 -3.188 525 H GLU 674 HN GLU 674 10.310 5.726 -3.098 526 HA GLU 674 HA GLU 674 12.878 6.593 -3.374 527 HB2 GLU 674 HB2 GLU 674 10.250 7.903 -3.257 528 HB3 GLU 674 HB3 GLU 674 11.608 8.962 -2.904 529 HG2 GLU 674 HG2 GLU 674 11.357 7.250 -5.367 530 HG3 GLU 674 HG3 GLU 674 10.953 8.965 -5.279 531 H GLU 675 HN GLU 675 10.845 6.954 -0.501 532 HA GLU 675 HA GLU 675 12.771 8.558 0.895 533 HB2 GLU 675 HB2 GLU 675 10.373 7.063 1.958 534 HB3 GLU 675 HB3 GLU 675 11.289 8.286 2.826 535 HG2 GLU 675 HG2 GLU 675 9.719 8.731 0.297 536 HG3 GLU 675 HG3 GLU 675 9.209 9.178 1.924 537 H GLU 676 HN GLU 676 11.528 5.271 1.586 538 HA GLU 676 HA GLU 676 13.444 4.658 3.526 539 HB2 GLU 676 HB2 GLU 676 12.735 2.361 3.315 540 HB3 GLU 676 HB3 GLU 676 11.340 3.409 3.200 541 HG2 GLU 676 HG2 GLU 676 11.271 3.147 0.815 542 HG3 GLU 676 HG3 GLU 676 12.740 2.187 0.869 543 H ARG 677 HN ARG 677 13.909 5.018 0.212 544 HA ARG 677 HA ARG 677 16.106 3.113 0.046 545 HB2 ARG 677 HB2 ARG 677 14.399 3.746 -1.835 546 HB3 ARG 677 HB3 ARG 677 15.476 5.109 -2.092 547 HG2 ARG 677 HG2 ARG 677 16.114 3.398 -3.600 548 HG3 ARG 677 HG3 ARG 677 17.349 3.474 -2.345 549 HD2 ARG 677 HD2 ARG 677 16.365 1.555 -1.230 550 HD3 ARG 677 HD3 ARG 677 15.066 1.505 -2.420 551 HE ARG 677 HE ARG 677 17.395 1.309 -3.866 552 HH11 ARG 677 HH12 ARG 677 15.866 -0.499 -1.307 553 HH12 ARG 677 HH11 ARG 677 16.548 -2.013 -1.796 554 HH21 ARG 677 HH22 ARG 677 18.295 -0.683 -4.516 555 HH22 ARG 677 HH21 ARG 677 17.927 -2.119 -3.619 556 H ARG 678 HN ARG 678 15.641 6.614 -0.400 557 HA ARG 678 HA ARG 678 18.327 7.312 -0.634 558 HB2 ARG 678 HB2 ARG 678 17.631 9.586 -0.055 559 HB3 ARG 678 HB3 ARG 678 16.507 8.845 -1.180 560 HG2 ARG 678 HG2 ARG 678 14.916 8.451 0.556 561 HG3 ARG 678 HG3 ARG 678 16.064 8.989 1.779 562 HD2 ARG 678 HD2 ARG 678 16.073 11.229 0.742 563 HD3 ARG 678 HD3 ARG 678 14.860 10.674 -0.411 564 HE ARG 678 HE ARG 678 13.556 10.181 1.792 565 HH11 ARG 678 HH12 ARG 678 15.617 12.913 1.130 566 HH12 ARG 678 HH11 ARG 678 14.751 13.984 2.180 567 HH21 ARG 678 HH22 ARG 678 12.411 11.585 3.176 568 HH22 ARG 678 HH21 ARG 678 12.930 13.229 3.342 569 H GLU 679 HN GLU 679 16.472 6.504 2.166 570 HA GLU 679 HA GLU 679 18.207 7.696 4.092 571 HB2 GLU 679 HB2 GLU 679 16.147 5.502 4.363 572 HB3 GLU 679 HB3 GLU 679 16.990 6.241 5.717 573 HG2 GLU 679 HG2 GLU 679 16.020 8.397 5.172 574 HG3 GLU 679 HG3 GLU 679 15.213 7.695 3.771 575 H LYS 680 HN LYS 680 17.558 4.224 3.633 576 HA LYS 680 HA LYS 680 20.324 3.572 3.381 577 HB2 LYS 680 HB2 LYS 680 19.012 3.456 6.013 578 HB3 LYS 680 HB3 LYS 680 19.843 1.979 5.551 579 HG2 LYS 680 HG2 LYS 680 21.049 4.732 5.726 580 HG3 LYS 680 HG3 LYS 680 21.311 3.390 6.842 581 HD2 LYS 680 HD2 LYS 680 22.270 2.080 4.970 582 HD3 LYS 680 HD3 LYS 680 22.095 3.498 3.934 583 HE2 LYS 680 HE2 LYS 680 24.369 3.339 4.759 584 HE3 LYS 680 HE3 LYS 680 23.574 4.758 5.439 585 HZ1 LYS 680 HZ1 LYS 680 23.203 3.542 7.482 586 HZ2 LYS 680 HZ2 LYS 680 24.851 3.540 7.103 587 HZ3 LYS 680 HZ3 LYS 680 23.920 2.156 6.829 588 H LYS 681 HN LYS 681 17.822 3.130 1.975 589 HA LYS 681 HA LYS 681 16.759 1.502 0.805 590 HB2 LYS 681 HB2 LYS 681 19.237 0.020 1.655 591 HB3 LYS 681 HB3 LYS 681 17.992 -0.753 0.686 592 HG2 LYS 681 HG2 LYS 681 19.679 0.019 -0.792 593 HG3 LYS 681 HG3 LYS 681 18.279 1.069 -0.997 594 HD2 LYS 681 HD2 LYS 681 19.336 2.737 0.472 595 HD3 LYS 681 HD3 LYS 681 20.747 1.687 0.629 596 HE2 LYS 681 HE2 LYS 681 19.712 2.851 -1.954 597 HE3 LYS 681 HE3 LYS 681 21.081 3.472 -1.034 598 HZ1 LYS 681 HZ1 LYS 681 21.783 2.055 -2.873 599 HZ2 LYS 681 HZ2 LYS 681 20.911 0.757 -2.228 600 HZ3 LYS 681 HZ3 LYS 681 22.233 1.390 -1.383 601 H ASN 682 HN ASN 682 16.692 1.698 3.937 602 HA ASN 682 HA ASN 682 15.449 0.819 5.617 603 HB2 ASN 682 HB2 ASN 682 13.675 0.906 3.849 604 HB3 ASN 682 HB3 ASN 682 14.053 -0.766 3.453 605 HD21 ASN 682 HD21 ASN 682 11.581 0.433 4.440 606 HD22 ASN 682 HD22 ASN 682 11.193 -0.407 5.899 607 H LYS 683 HN LYS 683 15.238 -2.057 3.585 608 HA LYS 683 HA LYS 683 15.950 -3.840 5.612 609 HB2 LYS 683 HB2 LYS 683 14.727 -4.511 3.605 610 HB3 LYS 683 HB3 LYS 683 16.141 -4.174 2.616 611 HG2 LYS 683 HG2 LYS 683 17.363 -5.962 3.702 612 HG3 LYS 683 HG3 LYS 683 15.998 -6.269 4.776 613 HD2 LYS 683 HD2 LYS 683 15.681 -6.397 1.796 614 HD3 LYS 683 HD3 LYS 683 16.308 -7.775 2.703 615 HE2 LYS 683 HE2 LYS 683 13.955 -8.083 2.449 616 HE3 LYS 683 HE3 LYS 683 14.262 -7.665 4.133 617 HZ1 LYS 683 HZ1 LYS 683 13.403 -5.705 2.078 618 HZ2 LYS 683 HZ2 LYS 683 13.510 -5.454 3.747 619 HZ3 LYS 683 HZ3 LYS 683 12.338 -6.501 3.123 Start of MODEL 2 1 H1 GLY 613 H1 GLY 613 -15.594 16.328 7.091 2 H2 GLY 613 H2 GLY 613 -15.419 17.875 7.751 3 H3 GLY 613 H3 GLY 613 -15.612 16.539 8.770 4 HA2 GLY 613 HA2 GLY 613 -13.290 17.035 6.988 5 HA3 GLY 613 HA1 GLY 613 -13.305 17.277 8.728 6 H ALA 614 HN ALA 614 -14.954 14.905 9.218 7 HA ALA 614 HA ALA 614 -12.803 12.946 9.108 8 HB1 ALA 614 HB1 ALA 614 -15.465 12.761 10.513 9 HB2 ALA 614 HB2 ALA 614 -14.075 11.698 10.734 10 HB3 ALA 614 HB3 ALA 614 -13.984 13.387 11.236 11 H MET 615 HN MET 615 -15.580 13.738 7.366 12 HA MET 615 HA MET 615 -15.911 10.996 6.368 13 HB2 MET 615 HB2 MET 615 -17.681 13.433 6.160 14 HB3 MET 615 HB3 MET 615 -17.987 11.943 5.280 15 HG2 MET 615 HG2 MET 615 -19.355 11.932 7.214 16 HG3 MET 615 HG3 MET 615 -18.071 10.753 7.467 17 HE1 MET 615 HE1 MET 615 -17.987 14.667 7.704 18 HE2 MET 615 HE2 MET 615 -19.515 14.269 8.489 19 HE3 MET 615 HE3 MET 615 -18.181 14.924 9.438 20 H GLY 616 HN GLY 616 -15.078 10.453 4.468 21 HA2 GLY 616 HA1 GLY 616 -14.597 12.581 2.482 22 HA3 GLY 616 HA2 GLY 616 -13.340 11.418 2.871 23 H SER 617 HN SER 617 -16.054 9.684 3.140 24 HA SER 617 HA SER 617 -17.068 8.086 1.894 25 HB2 SER 617 HB2 SER 617 -16.688 10.120 -0.316 26 HB3 SER 617 HB3 SER 617 -17.702 8.681 -0.437 27 HG SER 617 HG SER 617 -18.087 10.462 1.697 28 H LEU 618 HN LEU 618 -15.148 9.180 -0.857 29 HA LEU 618 HA LEU 618 -14.063 6.521 -1.161 30 HB2 LEU 618 HB2 LEU 618 -14.785 7.744 -3.131 31 HB3 LEU 618 HB3 LEU 618 -13.663 9.042 -2.771 32 HG LEU 618 HG LEU 618 -11.799 7.341 -3.048 33 HD11 LEU 618 HD11 LEU 618 -12.331 5.365 -4.400 34 HD12 LEU 618 HD12 LEU 618 -13.112 5.318 -2.819 35 HD13 LEU 618 HD13 LEU 618 -14.049 5.740 -4.253 36 HD21 LEU 618 HD21 LEU 618 -13.527 7.955 -5.438 37 HD22 LEU 618 HD22 LEU 618 -12.328 9.033 -4.724 38 HD23 LEU 618 HD23 LEU 618 -11.818 7.521 -5.474 39 H GLU 619 HN GLU 619 -12.810 9.766 -0.486 40 HA GLU 619 HA GLU 619 -10.096 9.232 -0.470 41 HB2 GLU 619 HB2 GLU 619 -11.841 11.218 0.892 42 HB3 GLU 619 HB3 GLU 619 -10.200 11.041 1.498 43 HG2 GLU 619 HG2 GLU 619 -9.311 11.525 -0.700 44 HG3 GLU 619 HG3 GLU 619 -10.944 11.648 -1.353 45 H ALA 620 HN ALA 620 -12.365 9.028 2.260 46 HA ALA 620 HA ALA 620 -10.565 8.195 4.193 47 HB1 ALA 620 HB1 ALA 620 -13.471 7.425 3.942 48 HB2 ALA 620 HB2 ALA 620 -12.491 7.309 5.403 49 HB3 ALA 620 HB3 ALA 620 -12.852 8.889 4.706 50 H ARG 621 HN ARG 621 -12.325 6.336 1.761 51 HA ARG 621 HA ARG 621 -11.603 3.778 2.731 52 HB2 ARG 621 HB2 ARG 621 -13.453 4.243 1.117 53 HB3 ARG 621 HB3 ARG 621 -12.242 4.551 -0.120 54 HG2 ARG 621 HG2 ARG 621 -11.479 2.279 0.000 55 HG3 ARG 621 HG3 ARG 621 -12.527 1.969 1.376 56 HD2 ARG 621 HD2 ARG 621 -13.173 1.352 -1.161 57 HD3 ARG 621 HD3 ARG 621 -14.358 1.694 0.097 58 HE ARG 621 HE ARG 621 -13.451 3.975 -1.445 59 HH11 ARG 621 HH12 ARG 621 -15.848 1.484 -1.016 60 HH12 ARG 621 HH11 ARG 621 -17.064 2.317 -1.926 61 HH21 ARG 621 HH22 ARG 621 -15.053 5.081 -2.647 62 HH22 ARG 621 HH21 ARG 621 -16.612 4.358 -2.854 63 H MET 622 HN MET 622 -10.144 6.002 0.416 64 HA MET 622 HA MET 622 -7.991 4.258 -0.285 65 HB2 MET 622 HB2 MET 622 -8.500 7.198 -0.681 66 HB3 MET 622 HB3 MET 622 -6.977 6.457 -1.145 67 HG2 MET 622 HG2 MET 622 -8.287 4.875 -2.574 68 HG3 MET 622 HG3 MET 622 -9.710 5.859 -2.232 69 HE1 MET 622 HE1 MET 622 -6.041 6.771 -2.620 70 HE2 MET 622 HE2 MET 622 -6.120 5.904 -4.153 71 HE3 MET 622 HE3 MET 622 -5.942 7.659 -4.142 72 H LYS 623 HN LYS 623 -8.738 5.942 2.456 73 HA LYS 623 HA LYS 623 -5.994 6.559 3.221 74 HB2 LYS 623 HB2 LYS 623 -8.081 8.057 3.683 75 HB3 LYS 623 HB3 LYS 623 -8.398 6.923 4.990 76 HG2 LYS 623 HG2 LYS 623 -5.734 8.260 4.722 77 HG3 LYS 623 HG3 LYS 623 -7.091 9.070 5.507 78 HD2 LYS 623 HD2 LYS 623 -7.061 7.673 7.305 79 HD3 LYS 623 HD3 LYS 623 -6.488 6.296 6.364 80 HE2 LYS 623 HE2 LYS 623 -4.797 7.086 7.955 81 HE3 LYS 623 HE3 LYS 623 -4.259 7.243 6.283 82 HZ1 LYS 623 HZ1 LYS 623 -5.377 9.447 7.933 83 HZ2 LYS 623 HZ2 LYS 623 -4.796 9.584 6.349 84 HZ3 LYS 623 HZ3 LYS 623 -3.733 9.207 7.609 85 H GLN 624 HN GLN 624 -8.744 4.558 4.142 86 HA GLN 624 HA GLN 624 -7.428 3.206 6.258 87 HB2 GLN 624 HB2 GLN 624 -9.980 3.012 4.856 88 HB3 GLN 624 HB3 GLN 624 -9.328 1.432 5.267 89 HG2 GLN 624 HG2 GLN 624 -10.666 1.999 7.083 90 HG3 GLN 624 HG3 GLN 624 -9.027 2.352 7.622 91 HE21 GLN 624 HE21 GLN 624 -10.827 4.338 5.387 92 HE22 GLN 624 HE22 GLN 624 -11.015 5.695 6.437 93 H PHE 625 HN PHE 625 -7.339 2.989 2.824 94 HA PHE 625 HA PHE 625 -6.314 0.306 2.781 95 HB2 PHE 625 HB2 PHE 625 -7.661 1.677 0.927 96 HB3 PHE 625 HB3 PHE 625 -6.024 2.076 0.414 97 HD1 PHE 625 HD1 PHE 625 -8.253 -0.780 1.200 98 HD2 PHE 625 HD2 PHE 625 -4.783 0.566 -0.863 99 HE1 PHE 625 HE1 PHE 625 -8.096 -2.951 0.059 100 HE2 PHE 625 HE2 PHE 625 -4.620 -1.606 -2.011 101 HZ PHE 625 HZ PHE 625 -6.280 -3.368 -1.548 102 H LYS 626 HN LYS 626 -5.038 3.518 1.905 103 HA LYS 626 HA LYS 626 -2.401 2.806 1.494 104 HB2 LYS 626 HB2 LYS 626 -3.437 5.078 1.111 105 HB3 LYS 626 HB3 LYS 626 -3.270 5.367 2.839 106 HG2 LYS 626 HG2 LYS 626 -0.766 4.685 2.348 107 HG3 LYS 626 HG3 LYS 626 -1.193 5.230 0.726 108 HD2 LYS 626 HD2 LYS 626 -0.275 7.098 1.890 109 HD3 LYS 626 HD3 LYS 626 -2.015 7.362 1.762 110 HE2 LYS 626 HE2 LYS 626 -2.373 6.836 4.020 111 HE3 LYS 626 HE3 LYS 626 -0.789 6.077 4.182 112 HZ1 LYS 626 HZ1 LYS 626 0.243 8.240 3.965 113 HZ2 LYS 626 HZ2 LYS 626 -0.874 8.265 5.234 114 HZ3 LYS 626 HZ3 LYS 626 -1.264 8.979 3.751 115 H ASP 627 HN ASP 627 -4.088 3.590 4.492 116 HA ASP 627 HA ASP 627 -1.891 3.522 6.234 117 HB2 ASP 627 HB2 ASP 627 -4.159 4.388 6.825 118 HB3 ASP 627 HB3 ASP 627 -4.747 2.728 6.856 119 H MET 628 HN MET 628 -4.213 0.988 5.311 120 HA MET 628 HA MET 628 -3.146 -1.104 6.807 121 HB2 MET 628 HB2 MET 628 -5.285 -1.309 5.666 122 HB3 MET 628 HB3 MET 628 -4.495 -1.176 4.101 123 HG2 MET 628 HG2 MET 628 -3.254 -3.279 4.647 124 HG3 MET 628 HG3 MET 628 -4.280 -3.432 6.072 125 HE1 MET 628 HE1 MET 628 -4.154 -3.282 2.179 126 HE2 MET 628 HE2 MET 628 -5.837 -3.563 1.730 127 HE3 MET 628 HE3 MET 628 -5.374 -2.054 2.515 128 H LEU 629 HN LEU 629 -2.190 0.228 3.705 129 HA LEU 629 HA LEU 629 -0.408 -1.778 2.897 130 HB2 LEU 629 HB2 LEU 629 -0.848 1.087 2.267 131 HB3 LEU 629 HB3 LEU 629 0.712 0.422 1.839 132 HG LEU 629 HG LEU 629 -0.300 -1.189 0.365 133 HD11 LEU 629 HD11 LEU 629 -2.329 -1.571 1.801 134 HD12 LEU 629 HD12 LEU 629 -2.997 -0.088 1.120 135 HD13 LEU 629 HD13 LEU 629 -2.644 -1.459 0.070 136 HD21 LEU 629 HD21 LEU 629 -1.272 0.282 -1.278 137 HD22 LEU 629 HD22 LEU 629 -1.606 1.495 -0.039 138 HD23 LEU 629 HD23 LEU 629 0.060 1.103 -0.465 139 H LEU 630 HN LEU 630 -0.113 0.947 5.060 140 HA LEU 630 HA LEU 630 2.728 0.601 5.450 141 HB2 LEU 630 HB2 LEU 630 1.101 2.728 5.685 142 HB3 LEU 630 HB3 LEU 630 1.095 2.190 7.351 143 HG LEU 630 HG LEU 630 2.760 3.942 6.952 144 HD11 LEU 630 HD11 LEU 630 4.603 2.912 8.065 145 HD12 LEU 630 HD12 LEU 630 3.113 2.201 8.685 146 HD13 LEU 630 HD13 LEU 630 4.098 1.311 7.523 147 HD21 LEU 630 HD21 LEU 630 4.027 1.932 5.100 148 HD22 LEU 630 HD22 LEU 630 3.286 3.463 4.632 149 HD23 LEU 630 HD23 LEU 630 4.753 3.457 5.611 150 H GLU 631 HN GLU 631 -0.197 -0.590 6.819 151 HA GLU 631 HA GLU 631 0.694 -1.159 9.422 152 HB2 GLU 631 HB2 GLU 631 -1.488 -2.364 7.731 153 HB3 GLU 631 HB3 GLU 631 -1.185 -2.880 9.384 154 HG2 GLU 631 HG2 GLU 631 -1.868 -0.075 8.533 155 HG3 GLU 631 HG3 GLU 631 -2.992 -1.238 9.233 156 H ARG 632 HN ARG 632 0.349 -3.433 6.647 157 HA ARG 632 HA ARG 632 2.201 -5.228 8.064 158 HB2 ARG 632 HB2 ARG 632 1.480 -6.850 6.181 159 HB3 ARG 632 HB3 ARG 632 0.341 -6.499 7.471 160 HG2 ARG 632 HG2 ARG 632 0.252 -4.848 5.004 161 HG3 ARG 632 HG3 ARG 632 -0.387 -6.494 4.961 162 HD2 ARG 632 HD2 ARG 632 -1.186 -4.368 6.935 163 HD3 ARG 632 HD3 ARG 632 -2.111 -4.811 5.506 164 HE ARG 632 HE ARG 632 -2.369 -7.038 6.521 165 HH11 ARG 632 HH12 ARG 632 -1.489 -4.369 8.580 166 HH12 ARG 632 HH11 ARG 632 -2.140 -5.093 10.012 167 HH21 ARG 632 HH22 ARG 632 -3.227 -7.998 8.399 168 HH22 ARG 632 HH21 ARG 632 -3.129 -7.155 9.909 169 H GLY 633 HN GLY 633 2.376 -2.788 5.999 170 HA2 GLY 633 HA1 GLY 633 3.973 -2.040 4.560 171 HA3 GLY 633 HA2 GLY 633 4.995 -3.341 5.154 172 H VAL 634 HN VAL 634 2.889 -2.260 2.660 173 HA VAL 634 HA VAL 634 2.917 -4.756 1.213 174 HB VAL 634 HB VAL 634 1.873 -2.005 0.484 175 HG11 VAL 634 HG11 VAL 634 1.345 -2.673 -1.595 176 HG12 VAL 634 HG12 VAL 634 2.604 -3.883 -1.355 177 HG13 VAL 634 HG13 VAL 634 0.916 -4.300 -1.068 178 HG21 VAL 634 HG21 VAL 634 -0.322 -3.052 0.781 179 HG22 VAL 634 HG22 VAL 634 0.465 -4.561 1.248 180 HG23 VAL 634 HG23 VAL 634 0.639 -3.125 2.258 181 H SER 635 HN SER 635 5.333 -4.461 1.651 182 HA SER 635 HA SER 635 7.395 -3.387 0.999 183 HB2 SER 635 HB2 SER 635 7.366 -5.782 0.718 184 HB3 SER 635 HB3 SER 635 6.583 -5.617 -0.853 185 HG SER 635 HG SER 635 9.221 -5.378 -0.180 186 H ALA 636 HN ALA 636 7.714 -1.478 0.123 187 HA ALA 636 HA ALA 636 6.433 -0.516 -2.203 188 HB1 ALA 636 HB1 ALA 636 7.809 1.425 -1.946 189 HB2 ALA 636 HB2 ALA 636 7.315 0.876 -0.342 190 HB3 ALA 636 HB3 ALA 636 8.946 0.542 -0.927 191 H PHE 637 HN PHE 637 8.397 -2.987 -2.218 192 HA PHE 637 HA PHE 637 9.273 -2.552 -4.915 193 HB2 PHE 637 HB2 PHE 637 11.692 -3.317 -4.106 194 HB3 PHE 637 HB3 PHE 637 11.238 -1.619 -4.196 195 HD1 PHE 637 HD1 PHE 637 11.473 -4.496 -1.854 196 HD2 PHE 637 HD2 PHE 637 11.332 -0.264 -2.303 197 HE1 PHE 637 HE1 PHE 637 12.014 -4.229 0.528 198 HE2 PHE 637 HE2 PHE 637 11.872 0.008 0.082 199 HZ PHE 637 HZ PHE 637 12.200 -1.981 1.502 200 H SER 638 HN SER 638 7.489 -4.338 -4.380 201 HA SER 638 HA SER 638 8.859 -6.881 -4.715 202 HB2 SER 638 HB2 SER 638 8.397 -6.623 -2.250 203 HB3 SER 638 HB3 SER 638 6.678 -6.612 -2.639 204 HG SER 638 HG SER 638 8.369 -8.705 -2.415 205 H THR 639 HN THR 639 6.551 -8.519 -4.514 206 HA THR 639 HA THR 639 5.125 -7.610 -6.909 207 HB THR 639 HB THR 639 6.001 -9.707 -7.382 208 HG1 THR 639 HG1 THR 639 3.880 -11.089 -6.734 209 HG21 THR 639 HG21 THR 639 6.749 -10.265 -5.116 210 HG22 THR 639 HG22 THR 639 5.932 -11.629 -5.879 211 HG23 THR 639 HG23 THR 639 5.089 -10.662 -4.670 212 H TRP 640 HN TRP 640 3.040 -7.231 -6.945 213 HA TRP 640 HA TRP 640 1.572 -6.537 -4.759 214 HB2 TRP 640 HB2 TRP 640 0.895 -5.765 -6.881 215 HB3 TRP 640 HB3 TRP 640 0.746 -7.395 -7.520 216 HD1 TRP 640 HD1 TRP 640 -1.527 -8.655 -7.140 217 HE1 TRP 640 HE1 TRP 640 -3.848 -7.884 -6.309 218 HE3 TRP 640 HE3 TRP 640 -0.231 -4.130 -5.155 219 HZ2 TRP 640 HZ2 TRP 640 -4.968 -5.666 -4.991 220 HZ3 TRP 640 HZ3 TRP 640 -1.985 -2.748 -4.121 221 HH2 TRP 640 HH2 TRP 640 -4.305 -3.503 -4.041 222 H GLU 641 HN GLU 641 1.971 -9.778 -6.023 223 HA GLU 641 HA GLU 641 -0.315 -10.857 -4.685 224 HB2 GLU 641 HB2 GLU 641 2.105 -12.180 -5.909 225 HB3 GLU 641 HB3 GLU 641 0.785 -13.081 -5.182 226 HG2 GLU 641 HG2 GLU 641 0.459 -13.055 -7.535 227 HG3 GLU 641 HG3 GLU 641 -0.759 -12.011 -6.807 228 H LYS 642 HN LYS 642 3.164 -10.947 -3.978 229 HA LYS 642 HA LYS 642 2.916 -12.368 -1.567 230 HB2 LYS 642 HB2 LYS 642 4.968 -10.583 -2.761 231 HB3 LYS 642 HB3 LYS 642 5.046 -10.815 -1.021 232 HG2 LYS 642 HG2 LYS 642 6.481 -12.373 -2.275 233 HG3 LYS 642 HG3 LYS 642 5.272 -13.191 -1.289 234 HD2 LYS 642 HD2 LYS 642 3.916 -13.640 -3.213 235 HD3 LYS 642 HD3 LYS 642 4.943 -12.634 -4.234 236 HE2 LYS 642 HE2 LYS 642 6.811 -14.184 -3.857 237 HE3 LYS 642 HE3 LYS 642 5.760 -15.195 -2.867 238 HZ1 LYS 642 HZ1 LYS 642 5.956 -16.043 -5.122 239 HZ2 LYS 642 HZ2 LYS 642 5.355 -14.590 -5.746 240 HZ3 LYS 642 HZ3 LYS 642 4.362 -15.576 -4.796 241 H GLU 643 HN GLU 643 2.687 -9.000 -2.425 242 HA GLU 643 HA GLU 643 2.333 -8.040 0.198 243 HB2 GLU 643 HB2 GLU 643 1.439 -6.729 -2.359 244 HB3 GLU 643 HB3 GLU 643 1.726 -5.944 -0.814 245 HG2 GLU 643 HG2 GLU 643 3.715 -7.070 -2.743 246 HG3 GLU 643 HG3 GLU 643 3.617 -5.442 -2.081 247 H LEU 644 HN LEU 644 0.297 -9.638 -2.027 248 HA LEU 644 HA LEU 644 -2.199 -8.675 -1.127 249 HB2 LEU 644 HB2 LEU 644 -1.317 -10.749 -2.872 250 HB3 LEU 644 HB3 LEU 644 -2.447 -11.439 -1.744 251 HG LEU 644 HG LEU 644 -4.145 -9.853 -2.424 252 HD11 LEU 644 HD11 LEU 644 -2.709 -7.952 -2.886 253 HD12 LEU 644 HD12 LEU 644 -2.076 -8.777 -4.310 254 HD13 LEU 644 HD13 LEU 644 -3.772 -8.304 -4.248 255 HD21 LEU 644 HD21 LEU 644 -4.437 -10.614 -4.741 256 HD22 LEU 644 HD22 LEU 644 -2.779 -11.218 -4.726 257 HD23 LEU 644 HD23 LEU 644 -3.983 -11.921 -3.645 258 H HIS 645 HN HIS 645 -0.789 -11.892 -0.442 259 HA HIS 645 HA HIS 645 -2.419 -12.556 1.621 260 HB2 HIS 645 HB2 HIS 645 -0.722 -14.043 2.488 261 HB3 HIS 645 HB3 HIS 645 -0.701 -14.077 0.733 262 HD2 HIS 645 HD2 HIS 645 1.744 -13.889 -0.297 263 HE1 HIS 645 HE1 HIS 645 3.637 -12.179 3.077 264 HE2 HIS 645 HE2 HIS 645 3.952 -12.946 0.683 265 H LYS 646 HN LYS 646 0.311 -10.363 1.740 266 HA LYS 646 HA LYS 646 0.555 -10.026 4.492 267 HB2 LYS 646 HB2 LYS 646 0.896 -8.056 2.237 268 HB3 LYS 646 HB3 LYS 646 1.290 -7.666 3.904 269 HG2 LYS 646 HG2 LYS 646 2.491 -10.154 2.959 270 HG3 LYS 646 HG3 LYS 646 3.012 -8.721 2.073 271 HD2 LYS 646 HD2 LYS 646 4.509 -9.111 3.929 272 HD3 LYS 646 HD3 LYS 646 3.579 -7.641 4.222 273 HE2 LYS 646 HE2 LYS 646 2.074 -8.883 5.692 274 HE3 LYS 646 HE3 LYS 646 2.982 -10.362 5.384 275 HZ1 LYS 646 HZ1 LYS 646 4.910 -9.381 6.419 276 HZ2 LYS 646 HZ2 LYS 646 3.599 -9.305 7.487 277 HZ3 LYS 646 HZ3 LYS 646 4.093 -7.918 6.655 278 H ILE 647 HN ILE 647 -1.551 -8.188 2.275 279 HA ILE 647 HA ILE 647 -2.900 -6.928 4.532 280 HB ILE 647 HB ILE 647 -4.124 -5.676 2.723 281 HG12 ILE 647 HG12 ILE 647 -2.375 -7.459 1.081 282 HG13 ILE 647 HG13 ILE 647 -4.038 -6.966 0.804 283 HG21 ILE 647 HG21 ILE 647 -1.110 -5.515 2.751 284 HG22 ILE 647 HG22 ILE 647 -2.199 -4.247 2.190 285 HG23 ILE 647 HG23 ILE 647 -2.209 -4.729 3.882 286 HD11 ILE 647 HD11 ILE 647 -1.615 -5.230 0.432 287 HD12 ILE 647 HD12 ILE 647 -2.514 -6.049 -0.849 288 HD13 ILE 647 HD13 ILE 647 -3.289 -4.777 0.099 289 H VAL 648 HN VAL 648 -3.837 -8.814 1.669 290 HA VAL 648 HA VAL 648 -6.507 -9.043 1.882 291 HB VAL 648 HB VAL 648 -6.437 -11.049 0.661 292 HG11 VAL 648 HG11 VAL 648 -4.227 -9.174 0.156 293 HG12 VAL 648 HG12 VAL 648 -4.250 -10.688 -0.748 294 HG13 VAL 648 HG13 VAL 648 -5.623 -9.591 -0.834 295 HG21 VAL 648 HG21 VAL 648 -4.295 -12.408 0.553 296 HG22 VAL 648 HG22 VAL 648 -3.814 -11.533 2.008 297 HG23 VAL 648 HG23 VAL 648 -5.262 -12.537 2.023 298 H PHE 649 HN PHE 649 -4.178 -10.573 4.040 299 HA PHE 649 HA PHE 649 -5.867 -12.447 5.244 300 HB2 PHE 649 HB2 PHE 649 -3.312 -11.781 5.648 301 HB3 PHE 649 HB3 PHE 649 -4.017 -10.880 6.986 302 HD1 PHE 649 HD1 PHE 649 -4.284 -14.278 5.460 303 HD2 PHE 649 HD2 PHE 649 -4.103 -11.932 9.006 304 HE1 PHE 649 HE1 PHE 649 -4.343 -16.332 6.814 305 HE2 PHE 649 HE2 PHE 649 -4.163 -13.984 10.368 306 HZ PHE 649 HZ PHE 649 -4.272 -16.195 9.259 307 H ASP 650 HN ASP 650 -6.349 -9.259 4.905 308 HA ASP 650 HA ASP 650 -8.135 -9.007 7.222 309 HB2 ASP 650 HB2 ASP 650 -5.952 -7.376 6.441 310 HB3 ASP 650 HB3 ASP 650 -7.407 -6.479 6.050 311 HA PRO 651 HA PRO 651 -11.233 -8.349 4.076 312 HB2 PRO 651 HB2 PRO 651 -12.947 -6.895 5.872 313 HB3 PRO 651 HB3 PRO 651 -13.067 -8.585 5.382 314 HG2 PRO 651 HG2 PRO 651 -12.445 -7.737 7.928 315 HG3 PRO 651 HG3 PRO 651 -12.031 -9.327 7.266 316 HD2 PRO 651 HD2 PRO 651 -10.318 -6.900 7.591 317 HD3 PRO 651 HD3 PRO 651 -9.900 -8.615 7.793 318 H ARG 652 HN ARG 652 -9.511 -5.853 5.506 319 HA ARG 652 HA ARG 652 -10.938 -3.693 4.243 320 HB2 ARG 652 HB2 ARG 652 -8.721 -2.448 4.907 321 HB3 ARG 652 HB3 ARG 652 -9.909 -2.879 6.126 322 HG2 ARG 652 HG2 ARG 652 -8.609 -4.792 6.785 323 HG3 ARG 652 HG3 ARG 652 -7.458 -4.499 5.480 324 HD2 ARG 652 HD2 ARG 652 -6.787 -2.411 6.479 325 HD3 ARG 652 HD3 ARG 652 -8.032 -2.563 7.718 326 HE ARG 652 HE ARG 652 -6.141 -4.737 7.655 327 HH11 ARG 652 HH12 ARG 652 -6.877 -1.583 8.941 328 HH12 ARG 652 HH11 ARG 652 -5.855 -1.766 10.326 329 HH21 ARG 652 HH22 ARG 652 -4.793 -4.989 9.479 330 HH22 ARG 652 HH21 ARG 652 -4.671 -3.703 10.634 331 H TYR 653 HN TYR 653 -8.966 -6.085 3.108 332 HA TYR 653 HA TYR 653 -7.447 -4.577 1.220 333 HB2 TYR 653 HB2 TYR 653 -6.457 -6.639 1.723 334 HB3 TYR 653 HB3 TYR 653 -7.985 -7.501 1.644 335 HD1 TYR 653 HD2 TYR 653 -5.532 -5.701 -0.487 336 HD2 TYR 653 HD1 TYR 653 -8.540 -8.697 -0.312 337 HE1 TYR 653 HE2 TYR 653 -4.978 -6.380 -2.774 338 HE2 TYR 653 HE1 TYR 653 -7.997 -9.384 -2.600 339 HH TYR 653 HH TYR 653 -6.952 -8.475 -4.603 340 H LEU 654 HN LEU 654 -10.625 -5.742 1.490 341 HA LEU 654 HA LEU 654 -11.161 -5.609 -1.374 342 HB2 LEU 654 HB2 LEU 654 -13.230 -6.182 0.708 343 HB3 LEU 654 HB3 LEU 654 -13.164 -6.724 -0.956 344 HG LEU 654 HG LEU 654 -11.422 -7.724 1.297 345 HD11 LEU 654 HD11 LEU 654 -13.661 -9.061 -0.213 346 HD12 LEU 654 HD12 LEU 654 -12.652 -9.808 1.026 347 HD13 LEU 654 HD13 LEU 654 -13.737 -8.485 1.453 348 HD21 LEU 654 HD21 LEU 654 -11.575 -8.615 -1.579 349 HD22 LEU 654 HD22 LEU 654 -10.247 -7.711 -0.847 350 HD23 LEU 654 HD23 LEU 654 -10.600 -9.354 -0.309 351 H LEU 655 HN LEU 655 -10.530 -3.215 0.241 352 HA LEU 655 HA LEU 655 -12.983 -1.783 0.615 353 HB2 LEU 655 HB2 LEU 655 -10.082 -1.077 0.778 354 HB3 LEU 655 HB3 LEU 655 -11.290 0.192 0.771 355 HG LEU 655 HG LEU 655 -11.207 -2.063 2.776 356 HD11 LEU 655 HD11 LEU 655 -10.293 0.799 3.039 357 HD12 LEU 655 HD12 LEU 655 -10.401 -0.370 4.355 358 HD13 LEU 655 HD13 LEU 655 -9.261 -0.631 3.036 359 HD21 LEU 655 HD21 LEU 655 -12.845 0.461 2.608 360 HD22 LEU 655 HD22 LEU 655 -13.433 -1.196 2.483 361 HD23 LEU 655 HD23 LEU 655 -12.784 -0.604 4.013 362 H LEU 656 HN LEU 656 -10.236 -0.674 -1.347 363 HA LEU 656 HA LEU 656 -11.948 0.803 -3.077 364 HB2 LEU 656 HB2 LEU 656 -9.019 0.150 -3.160 365 HB3 LEU 656 HB3 LEU 656 -9.797 1.023 -4.457 366 HG LEU 656 HG LEU 656 -8.756 2.635 -3.077 367 HD11 LEU 656 HD11 LEU 656 -11.025 3.171 -3.851 368 HD12 LEU 656 HD12 LEU 656 -11.664 2.586 -2.315 369 HD13 LEU 656 HD13 LEU 656 -10.601 3.993 -2.349 370 HD21 LEU 656 HD21 LEU 656 -9.197 2.813 -0.669 371 HD22 LEU 656 HD22 LEU 656 -10.127 1.316 -0.741 372 HD23 LEU 656 HD23 LEU 656 -8.400 1.299 -1.095 373 H ASN 657 HN ASN 657 -11.446 0.601 -5.533 374 HA ASN 657 HA ASN 657 -12.273 -2.085 -6.325 375 HB2 ASN 657 HB2 ASN 657 -12.137 0.426 -8.011 376 HB3 ASN 657 HB3 ASN 657 -13.014 -1.056 -8.379 377 HD21 ASN 657 HD21 ASN 657 -12.944 1.834 -6.457 378 HD22 ASN 657 HD22 ASN 657 -14.580 1.755 -5.911 379 HA PRO 658 HA PRO 658 -8.524 -3.402 -8.272 380 HB2 PRO 658 HB2 PRO 658 -9.247 -3.661 -10.945 381 HB3 PRO 658 HB3 PRO 658 -9.489 -4.890 -9.697 382 HG2 PRO 658 HG2 PRO 658 -11.406 -2.828 -10.721 383 HG3 PRO 658 HG3 PRO 658 -11.696 -4.548 -10.379 384 HD2 PRO 658 HD2 PRO 658 -12.498 -2.719 -8.653 385 HD3 PRO 658 HD3 PRO 658 -11.691 -4.187 -8.052 386 H LYS 659 HN LYS 659 -10.008 -0.492 -9.116 387 HA LYS 659 HA LYS 659 -7.801 0.346 -10.858 388 HB2 LYS 659 HB2 LYS 659 -10.337 1.852 -10.186 389 HB3 LYS 659 HB3 LYS 659 -9.177 2.243 -11.451 390 HG2 LYS 659 HG2 LYS 659 -10.910 -0.219 -11.363 391 HG3 LYS 659 HG3 LYS 659 -11.202 1.214 -12.348 392 HD2 LYS 659 HD2 LYS 659 -9.135 0.835 -13.564 393 HD3 LYS 659 HD3 LYS 659 -8.758 -0.548 -12.533 394 HE2 LYS 659 HE2 LYS 659 -9.668 -1.288 -14.665 395 HE3 LYS 659 HE3 LYS 659 -10.762 -1.696 -13.345 396 HZ1 LYS 659 HZ1 LYS 659 -12.093 0.252 -13.909 397 HZ2 LYS 659 HZ2 LYS 659 -11.974 -0.807 -15.223 398 HZ3 LYS 659 HZ3 LYS 659 -11.052 0.611 -15.194 399 H GLU 660 HN GLU 660 -9.698 1.662 -8.145 400 HA GLU 660 HA GLU 660 -7.875 3.664 -7.438 401 HB2 GLU 660 HB2 GLU 660 -9.900 2.211 -5.727 402 HB3 GLU 660 HB3 GLU 660 -9.063 3.681 -5.251 403 HG2 GLU 660 HG2 GLU 660 -10.929 3.393 -7.594 404 HG3 GLU 660 HG3 GLU 660 -11.312 4.146 -6.048 405 H ARG 661 HN ARG 661 -7.877 0.262 -6.846 406 HA ARG 661 HA ARG 661 -6.004 0.379 -4.656 407 HB2 ARG 661 HB2 ARG 661 -6.919 -1.953 -6.347 408 HB3 ARG 661 HB3 ARG 661 -5.928 -2.082 -4.900 409 HG2 ARG 661 HG2 ARG 661 -7.816 -0.900 -3.690 410 HG3 ARG 661 HG3 ARG 661 -8.788 -1.217 -5.123 411 HD2 ARG 661 HD2 ARG 661 -7.533 -3.180 -3.246 412 HD3 ARG 661 HD3 ARG 661 -9.239 -2.966 -3.610 413 HE ARG 661 HE ARG 661 -7.601 -3.756 -5.856 414 HH11 ARG 661 HH12 ARG 661 -9.612 -4.807 -3.212 415 HH12 ARG 661 HH11 ARG 661 -9.968 -6.344 -3.925 416 HH21 ARG 661 HH22 ARG 661 -8.064 -5.777 -6.803 417 HH22 ARG 661 HH21 ARG 661 -9.088 -6.897 -5.966 418 H LYS 662 HN LYS 662 -5.889 -0.021 -8.121 419 HA LYS 662 HA LYS 662 -3.204 -0.910 -8.288 420 HB2 LYS 662 HB2 LYS 662 -5.321 -0.212 -10.113 421 HB3 LYS 662 HB3 LYS 662 -3.805 0.498 -10.649 422 HG2 LYS 662 HG2 LYS 662 -3.934 -2.387 -9.869 423 HG3 LYS 662 HG3 LYS 662 -4.463 -1.861 -11.467 424 HD2 LYS 662 HD2 LYS 662 -2.227 -2.423 -11.799 425 HD3 LYS 662 HD3 LYS 662 -2.179 -0.672 -11.594 426 HE2 LYS 662 HE2 LYS 662 -0.394 -1.774 -10.336 427 HE3 LYS 662 HE3 LYS 662 -1.524 -0.950 -9.262 428 HZ1 LYS 662 HZ1 LYS 662 -2.570 -3.050 -8.770 429 HZ2 LYS 662 HZ2 LYS 662 -0.911 -3.166 -8.462 430 HZ3 LYS 662 HZ3 LYS 662 -1.560 -3.860 -9.860 431 H GLN 663 HN GLN 663 -4.678 2.256 -8.073 432 HA GLN 663 HA GLN 663 -2.223 3.636 -8.722 433 HB2 GLN 663 HB2 GLN 663 -3.596 5.671 -8.045 434 HB3 GLN 663 HB3 GLN 663 -4.177 4.762 -9.434 435 HG2 GLN 663 HG2 GLN 663 -6.143 4.554 -8.461 436 HG3 GLN 663 HG3 GLN 663 -5.390 3.646 -7.154 437 HE21 GLN 663 HE21 GLN 663 -7.643 5.368 -6.946 438 HE22 GLN 663 HE22 GLN 663 -7.215 6.654 -5.879 439 H VAL 664 HN VAL 664 -4.074 2.750 -5.868 440 HA VAL 664 HA VAL 664 -2.604 4.325 -4.018 441 HB VAL 664 HB VAL 664 -4.321 1.866 -3.665 442 HG11 VAL 664 HG11 VAL 664 -2.820 3.428 -1.577 443 HG12 VAL 664 HG12 VAL 664 -4.237 2.446 -1.200 444 HG13 VAL 664 HG13 VAL 664 -2.793 1.690 -1.871 445 HG21 VAL 664 HG21 VAL 664 -5.365 4.054 -4.270 446 HG22 VAL 664 HG22 VAL 664 -5.921 3.373 -2.741 447 HG23 VAL 664 HG23 VAL 664 -4.757 4.697 -2.745 448 H PHE 665 HN PHE 665 -2.083 1.249 -5.534 449 HA PHE 665 HA PHE 665 -0.007 0.393 -3.738 450 HB2 PHE 665 HB2 PHE 665 -1.315 -1.282 -4.898 451 HB3 PHE 665 HB3 PHE 665 -0.857 -0.613 -6.459 452 HD1 PHE 665 HD2 PHE 665 0.807 -1.910 -3.373 453 HD2 PHE 665 HD1 PHE 665 0.771 -1.725 -7.626 454 HE1 PHE 665 HE2 PHE 665 2.744 -3.426 -3.454 455 HE2 PHE 665 HE1 PHE 665 2.706 -3.238 -7.713 456 HZ PHE 665 HZ PHE 665 3.695 -4.092 -5.625 457 H ASP 666 HN ASP 666 -0.108 1.637 -7.073 458 HA ASP 666 HA ASP 666 2.695 1.668 -7.436 459 HB2 ASP 666 HB2 ASP 666 0.397 3.035 -8.814 460 HB3 ASP 666 HB3 ASP 666 2.060 3.399 -9.263 461 H GLN 667 HN GLN 667 0.413 3.973 -6.142 462 HA GLN 667 HA GLN 667 2.227 6.167 -6.028 463 HB2 GLN 667 HB2 GLN 667 -0.524 5.591 -5.050 464 HB3 GLN 667 HB3 GLN 667 0.363 6.891 -4.258 465 HG2 GLN 667 HG2 GLN 667 0.044 6.734 -7.234 466 HG3 GLN 667 HG3 GLN 667 -1.136 7.520 -6.191 467 HE21 GLN 667 HE21 GLN 667 2.066 7.655 -7.515 468 HE22 GLN 667 HE22 GLN 667 2.409 9.286 -7.062 469 H TYR 668 HN TYR 668 1.359 3.535 -3.886 470 HA TYR 668 HA TYR 668 2.611 4.660 -1.571 471 HB2 TYR 668 HB2 TYR 668 0.865 3.079 -1.186 472 HB3 TYR 668 HB3 TYR 668 1.603 1.903 -2.269 473 HD1 TYR 668 HD2 TYR 668 1.872 3.502 1.047 474 HD2 TYR 668 HD1 TYR 668 3.299 0.424 -1.518 475 HE1 TYR 668 HE2 TYR 668 3.024 2.459 2.944 476 HE2 TYR 668 HE1 TYR 668 4.453 -0.625 0.371 477 HH TYR 668 HH TYR 668 5.347 0.016 2.577 478 H VAL 669 HN VAL 669 3.387 1.944 -3.721 479 HA VAL 669 HA VAL 669 5.900 1.375 -2.694 480 HB VAL 669 HB VAL 669 6.367 0.222 -4.777 481 HG11 VAL 669 HG11 VAL 669 4.405 -1.258 -4.848 482 HG12 VAL 669 HG12 VAL 669 4.906 -0.885 -3.199 483 HG13 VAL 669 HG13 VAL 669 3.502 -0.079 -3.899 484 HG21 VAL 669 HG21 VAL 669 5.615 1.818 -6.393 485 HG22 VAL 669 HG22 VAL 669 4.715 0.322 -6.639 486 HG23 VAL 669 HG23 VAL 669 3.953 1.685 -5.821 487 H LYS 670 HN LYS 670 4.871 3.913 -4.828 488 HA LYS 670 HA LYS 670 7.467 4.521 -5.849 489 HB2 LYS 670 HB2 LYS 670 5.478 5.156 -7.095 490 HB3 LYS 670 HB3 LYS 670 4.943 6.181 -5.771 491 HG2 LYS 670 HG2 LYS 670 6.982 7.554 -6.083 492 HG3 LYS 670 HG3 LYS 670 7.355 6.587 -7.512 493 HD2 LYS 670 HD2 LYS 670 4.755 8.060 -7.142 494 HD3 LYS 670 HD3 LYS 670 6.158 8.765 -7.937 495 HE2 LYS 670 HE2 LYS 670 4.729 6.250 -8.787 496 HE3 LYS 670 HE3 LYS 670 4.575 7.830 -9.555 497 HZ1 LYS 670 HZ1 LYS 670 7.071 6.229 -9.376 498 HZ2 LYS 670 HZ2 LYS 670 6.928 7.746 -10.109 499 HZ3 LYS 670 HZ3 LYS 670 6.112 6.414 -10.758 500 H THR 671 HN THR 671 5.369 6.548 -3.794 501 HA THR 671 HA THR 671 7.415 8.259 -2.948 502 HB THR 671 HB THR 671 5.063 8.866 -2.729 503 HG1 THR 671 HG1 THR 671 5.332 9.933 -0.822 504 HG21 THR 671 HG21 THR 671 4.860 7.010 -0.371 505 HG22 THR 671 HG22 THR 671 4.377 6.516 -1.992 506 HG23 THR 671 HG23 THR 671 3.569 7.872 -1.209 507 H ARG 672 HN ARG 672 6.298 5.211 -1.601 508 HA ARG 672 HA ARG 672 7.692 5.442 0.862 509 HB2 ARG 672 HB2 ARG 672 5.764 3.908 0.466 510 HB3 ARG 672 HB3 ARG 672 6.815 2.909 -0.528 511 HG2 ARG 672 HG2 ARG 672 6.646 1.938 1.655 512 HG3 ARG 672 HG3 ARG 672 8.281 2.569 1.436 513 HD2 ARG 672 HD2 ARG 672 7.339 3.075 3.665 514 HD3 ARG 672 HD3 ARG 672 7.752 4.521 2.745 515 HE ARG 672 HE ARG 672 4.992 3.627 2.585 516 HH11 ARG 672 HH12 ARG 672 7.316 5.774 4.046 517 HH12 ARG 672 HH11 ARG 672 6.122 6.903 4.593 518 HH21 ARG 672 HH22 ARG 672 3.413 5.107 3.301 519 HH22 ARG 672 HH21 ARG 672 3.903 6.523 4.169 520 H ALA 673 HN ALA 673 8.479 3.874 -2.237 521 HA ALA 673 HA ALA 673 10.878 2.676 -1.404 522 HB1 ALA 673 HB1 ALA 673 10.150 3.687 -4.151 523 HB2 ALA 673 HB2 ALA 673 11.473 2.583 -3.776 524 HB3 ALA 673 HB3 ALA 673 9.803 2.081 -3.506 525 H GLU 674 HN GLU 674 10.161 5.910 -2.588 526 HA GLU 674 HA GLU 674 12.792 6.809 -2.932 527 HB2 GLU 674 HB2 GLU 674 10.290 8.329 -2.180 528 HB3 GLU 674 HB3 GLU 674 11.808 9.093 -2.629 529 HG2 GLU 674 HG2 GLU 674 10.227 7.239 -4.396 530 HG3 GLU 674 HG3 GLU 674 10.175 9.000 -4.470 531 H GLU 675 HN GLU 675 10.627 7.015 -0.118 532 HA GLU 675 HA GLU 675 12.536 8.302 1.552 533 HB2 GLU 675 HB2 GLU 675 10.088 6.710 2.328 534 HB3 GLU 675 HB3 GLU 675 10.975 7.809 3.374 535 HG2 GLU 675 HG2 GLU 675 9.485 8.568 0.871 536 HG3 GLU 675 HG3 GLU 675 8.939 8.832 2.526 537 H GLU 676 HN GLU 676 11.215 4.990 1.779 538 HA GLU 676 HA GLU 676 12.852 3.949 3.679 539 HB2 GLU 676 HB2 GLU 676 11.923 2.544 1.221 540 HB3 GLU 676 HB3 GLU 676 12.497 1.752 2.669 541 HG2 GLU 676 HG2 GLU 676 10.029 3.446 2.392 542 HG3 GLU 676 HG3 GLU 676 10.098 1.699 2.602 543 H ARG 677 HN ARG 677 13.532 3.851 0.192 544 HA ARG 677 HA ARG 677 16.036 2.610 0.413 545 HB2 ARG 677 HB2 ARG 677 14.796 2.668 -1.678 546 HB3 ARG 677 HB3 ARG 677 14.981 4.414 -1.764 547 HG2 ARG 677 HG2 ARG 677 17.517 3.000 -1.520 548 HG3 ARG 677 HG3 ARG 677 16.603 2.571 -2.969 549 HD2 ARG 677 HD2 ARG 677 17.191 5.400 -2.114 550 HD3 ARG 677 HD3 ARG 677 18.177 4.492 -3.261 551 HE ARG 677 HE ARG 677 15.564 4.393 -4.185 552 HH11 ARG 677 HH12 ARG 677 17.992 6.818 -3.570 553 HH12 ARG 677 HH11 ARG 677 17.424 7.884 -4.810 554 HH21 ARG 677 HH22 ARG 677 14.812 5.792 -5.820 555 HH22 ARG 677 HH21 ARG 677 15.615 7.303 -6.087 556 H ARG 678 HN ARG 678 15.170 6.053 0.441 557 HA ARG 678 HA ARG 678 17.921 6.892 0.363 558 HB2 ARG 678 HB2 ARG 678 17.138 9.100 0.438 559 HB3 ARG 678 HB3 ARG 678 15.913 8.231 -0.473 560 HG2 ARG 678 HG2 ARG 678 14.449 8.185 1.423 561 HG3 ARG 678 HG3 ARG 678 15.700 8.866 2.462 562 HD2 ARG 678 HD2 ARG 678 15.697 10.886 0.978 563 HD3 ARG 678 HD3 ARG 678 14.291 10.204 0.163 564 HE ARG 678 HE ARG 678 13.688 10.249 2.861 565 HH11 ARG 678 HH12 ARG 678 14.461 12.553 0.365 566 HH12 ARG 678 HH11 ARG 678 13.542 13.833 1.082 567 HH21 ARG 678 HH22 ARG 678 12.475 11.931 3.814 568 HH22 ARG 678 HH21 ARG 678 12.413 13.481 3.042 569 H GLU 679 HN GLU 679 15.864 5.746 2.801 570 HA GLU 679 HA GLU 679 17.207 7.183 4.941 571 HB2 GLU 679 HB2 GLU 679 14.994 5.133 4.929 572 HB3 GLU 679 HB3 GLU 679 15.707 5.761 6.408 573 HG2 GLU 679 HG2 GLU 679 15.043 8.034 5.730 574 HG3 GLU 679 HG3 GLU 679 14.268 7.357 4.300 575 H LYS 680 HN LYS 680 16.545 3.709 4.417 576 HA LYS 680 HA LYS 680 18.651 2.871 6.105 577 HB2 LYS 680 HB2 LYS 680 18.177 0.643 5.349 578 HB3 LYS 680 HB3 LYS 680 16.649 1.495 5.519 579 HG2 LYS 680 HG2 LYS 680 16.634 1.882 3.081 580 HG3 LYS 680 HG3 LYS 680 18.113 0.928 2.950 581 HD2 LYS 680 HD2 LYS 680 16.870 -0.967 4.031 582 HD3 LYS 680 HD3 LYS 680 15.400 -0.004 3.878 583 HE2 LYS 680 HE2 LYS 680 17.174 -0.955 1.633 584 HE3 LYS 680 HE3 LYS 680 15.568 -1.563 2.032 585 HZ1 LYS 680 HZ1 LYS 680 14.649 0.602 1.501 586 HZ2 LYS 680 HZ2 LYS 680 15.510 -0.008 0.179 587 HZ3 LYS 680 HZ3 LYS 680 16.190 1.203 1.144 588 H LYS 681 HN LYS 681 18.461 3.578 2.689 589 HA LYS 681 HA LYS 681 20.019 3.710 1.041 590 HB2 LYS 681 HB2 LYS 681 21.938 3.930 3.365 591 HB3 LYS 681 HB3 LYS 681 22.303 4.344 1.696 592 HG2 LYS 681 HG2 LYS 681 20.525 6.071 1.790 593 HG3 LYS 681 HG3 LYS 681 20.317 5.704 3.503 594 HD2 LYS 681 HD2 LYS 681 22.678 6.287 3.892 595 HD3 LYS 681 HD3 LYS 681 22.843 6.701 2.184 596 HE2 LYS 681 HE2 LYS 681 22.506 8.714 3.466 597 HE3 LYS 681 HE3 LYS 681 21.086 8.414 2.467 598 HZ1 LYS 681 HZ1 LYS 681 21.339 7.801 5.362 599 HZ2 LYS 681 HZ2 LYS 681 19.981 7.470 4.410 600 HZ3 LYS 681 HZ3 LYS 681 20.447 9.071 4.688 601 H ASN 682 HN ASN 682 20.136 1.865 -0.076 602 HA ASN 682 HA ASN 682 21.362 -0.498 1.078 603 HB2 ASN 682 HB2 ASN 682 20.701 -1.560 -1.093 604 HB3 ASN 682 HB3 ASN 682 19.357 -0.857 -0.199 605 HD21 ASN 682 HD21 ASN 682 18.101 -0.672 -2.040 606 HD22 ASN 682 HD22 ASN 682 18.412 0.513 -3.257 607 H LYS 683 HN LYS 683 22.881 2.007 0.306 608 HA LYS 683 HA LYS 683 24.892 2.577 -0.582 609 HB2 LYS 683 HB2 LYS 683 25.306 -0.418 -0.580 610 HB3 LYS 683 HB3 LYS 683 26.576 0.782 -0.774 611 HG2 LYS 683 HG2 LYS 683 24.819 0.530 1.659 612 HG3 LYS 683 HG3 LYS 683 26.437 -0.157 1.507 613 HD2 LYS 683 HD2 LYS 683 25.827 2.778 1.193 614 HD3 LYS 683 HD3 LYS 683 26.331 2.040 2.713 615 HE2 LYS 683 HE2 LYS 683 27.904 1.978 0.139 616 HE3 LYS 683 HE3 LYS 683 28.205 3.075 1.486 617 HZ1 LYS 683 HZ1 LYS 683 29.689 1.179 1.555 618 HZ2 LYS 683 HZ2 LYS 683 28.377 0.112 1.593 619 HZ3 LYS 683 HZ3 LYS 683 28.654 1.158 2.893 Start of MODEL 3 1 H1 GLY 613 H1 GLY 613 -19.549 10.708 0.384 2 H2 GLY 613 H2 GLY 613 -18.231 11.750 0.579 3 H3 GLY 613 H3 GLY 613 -19.319 11.994 -0.692 4 HA2 GLY 613 HA2 GLY 613 -19.694 13.588 1.091 5 HA3 GLY 613 HA1 GLY 613 -21.080 12.541 0.835 6 H ALA 614 HN ALA 614 -19.387 13.981 3.162 7 HA ALA 614 HA ALA 614 -19.253 13.757 5.417 8 HB1 ALA 614 HB1 ALA 614 -21.130 11.422 5.091 9 HB2 ALA 614 HB2 ALA 614 -20.816 12.333 6.567 10 HB3 ALA 614 HB3 ALA 614 -21.630 13.109 5.209 11 H MET 615 HN MET 615 -17.620 13.013 6.584 12 HA MET 615 HA MET 615 -15.889 11.740 7.312 13 HB2 MET 615 HB2 MET 615 -17.635 9.438 6.419 14 HB3 MET 615 HB3 MET 615 -16.227 9.306 7.463 15 HG2 MET 615 HG2 MET 615 -17.355 10.732 9.123 16 HG3 MET 615 HG3 MET 615 -18.779 10.773 8.086 17 HE1 MET 615 HE1 MET 615 -19.819 8.467 11.112 18 HE2 MET 615 HE2 MET 615 -18.852 9.941 11.104 19 HE3 MET 615 HE3 MET 615 -20.318 9.842 10.126 20 H GLY 616 HN GLY 616 -16.433 12.322 4.268 21 HA2 GLY 616 HA1 GLY 616 -14.929 12.285 2.496 22 HA3 GLY 616 HA2 GLY 616 -13.927 11.164 3.403 23 H SER 617 HN SER 617 -15.924 9.196 3.888 24 HA SER 617 HA SER 617 -16.768 7.301 2.973 25 HB2 SER 617 HB2 SER 617 -17.391 9.145 0.655 26 HB3 SER 617 HB3 SER 617 -18.023 7.509 0.838 27 HG SER 617 HG SER 617 -18.739 8.413 3.010 28 H LEU 618 HN LEU 618 -15.787 8.593 -0.165 29 HA LEU 618 HA LEU 618 -14.353 6.232 -0.816 30 HB2 LEU 618 HB2 LEU 618 -15.439 7.605 -2.517 31 HB3 LEU 618 HB3 LEU 618 -14.367 8.942 -2.146 32 HG LEU 618 HG LEU 618 -12.449 7.428 -2.845 33 HD11 LEU 618 HD11 LEU 618 -13.617 5.302 -2.705 34 HD12 LEU 618 HD12 LEU 618 -14.731 5.814 -3.973 35 HD13 LEU 618 HD13 LEU 618 -13.023 5.578 -4.343 36 HD21 LEU 618 HD21 LEU 618 -13.259 9.250 -4.234 37 HD22 LEU 618 HD22 LEU 618 -12.815 7.861 -5.226 38 HD23 LEU 618 HD23 LEU 618 -14.514 8.204 -4.899 39 H GLU 619 HN GLU 619 -13.391 9.480 0.188 40 HA GLU 619 HA GLU 619 -10.626 9.206 -0.130 41 HB2 GLU 619 HB2 GLU 619 -12.401 10.945 1.519 42 HB3 GLU 619 HB3 GLU 619 -10.688 10.903 1.918 43 HG2 GLU 619 HG2 GLU 619 -11.201 12.744 0.428 44 HG3 GLU 619 HG3 GLU 619 -10.129 11.574 -0.342 45 H ALA 620 HN ALA 620 -12.607 8.747 2.790 46 HA ALA 620 HA ALA 620 -10.572 7.921 4.481 47 HB1 ALA 620 HB1 ALA 620 -12.321 6.920 5.860 48 HB2 ALA 620 HB2 ALA 620 -12.818 8.504 5.263 49 HB3 ALA 620 HB3 ALA 620 -13.460 7.040 4.518 50 H ARG 621 HN ARG 621 -12.238 6.225 1.948 51 HA ARG 621 HA ARG 621 -11.560 3.582 2.742 52 HB2 ARG 621 HB2 ARG 621 -13.253 4.516 0.914 53 HB3 ARG 621 HB3 ARG 621 -11.865 4.289 -0.140 54 HG2 ARG 621 HG2 ARG 621 -11.742 1.942 0.585 55 HG3 ARG 621 HG3 ARG 621 -13.219 2.184 1.520 56 HD2 ARG 621 HD2 ARG 621 -12.824 1.996 -1.414 57 HD3 ARG 621 HD3 ARG 621 -14.123 1.363 -0.406 58 HE ARG 621 HE ARG 621 -13.930 4.250 -0.909 59 HH11 ARG 621 HH12 ARG 621 -15.639 1.226 -1.221 60 HH12 ARG 621 HH11 ARG 621 -17.108 1.966 -1.763 61 HH21 ARG 621 HH22 ARG 621 -15.864 5.230 -1.618 62 HH22 ARG 621 HH21 ARG 621 -17.236 4.240 -1.990 63 H MET 622 HN MET 622 -10.164 5.840 0.379 64 HA MET 622 HA MET 622 -7.924 4.194 -0.206 65 HB2 MET 622 HB2 MET 622 -8.465 7.125 -0.670 66 HB3 MET 622 HB3 MET 622 -6.986 6.335 -1.195 67 HG2 MET 622 HG2 MET 622 -8.392 4.759 -2.522 68 HG3 MET 622 HG3 MET 622 -9.790 5.749 -2.105 69 HE1 MET 622 HE1 MET 622 -6.361 5.666 -4.170 70 HE2 MET 622 HE2 MET 622 -6.174 7.399 -4.434 71 HE3 MET 622 HE3 MET 622 -6.131 6.747 -2.795 72 H LYS 623 HN LYS 623 -8.756 5.903 2.490 73 HA LYS 623 HA LYS 623 -6.089 6.762 3.248 74 HB2 LYS 623 HB2 LYS 623 -8.439 7.863 3.811 75 HB3 LYS 623 HB3 LYS 623 -8.386 6.737 5.159 76 HG2 LYS 623 HG2 LYS 623 -6.297 8.816 4.532 77 HG3 LYS 623 HG3 LYS 623 -7.549 8.954 5.766 78 HD2 LYS 623 HD2 LYS 623 -5.347 6.889 5.687 79 HD3 LYS 623 HD3 LYS 623 -5.411 8.298 6.746 80 HE2 LYS 623 HE2 LYS 623 -7.314 5.959 6.730 81 HE3 LYS 623 HE3 LYS 623 -6.109 6.330 7.962 82 HZ1 LYS 623 HZ1 LYS 623 -7.313 8.376 8.458 83 HZ2 LYS 623 HZ2 LYS 623 -8.303 7.020 8.668 84 HZ3 LYS 623 HZ3 LYS 623 -8.480 7.992 7.293 85 H GLN 624 HN GLN 624 -8.590 4.569 4.488 86 HA GLN 624 HA GLN 624 -6.915 3.297 6.374 87 HB2 GLN 624 HB2 GLN 624 -9.513 2.485 5.072 88 HB3 GLN 624 HB3 GLN 624 -8.703 1.474 6.261 89 HG2 GLN 624 HG2 GLN 624 -9.151 2.900 7.989 90 HG3 GLN 624 HG3 GLN 624 -9.257 4.312 6.940 91 HE21 GLN 624 HE21 GLN 624 -11.161 4.707 5.809 92 HE22 GLN 624 HE22 GLN 624 -12.659 3.969 6.254 93 H PHE 625 HN PHE 625 -7.181 3.068 2.974 94 HA PHE 625 HA PHE 625 -6.178 0.381 2.804 95 HB2 PHE 625 HB2 PHE 625 -7.659 1.774 1.083 96 HB3 PHE 625 HB3 PHE 625 -6.069 2.196 0.451 97 HD1 PHE 625 HD1 PHE 625 -8.420 -0.555 1.077 98 HD2 PHE 625 HD2 PHE 625 -4.705 0.589 -0.654 99 HE1 PHE 625 HE1 PHE 625 -8.335 -2.689 -0.145 100 HE2 PHE 625 HE2 PHE 625 -4.613 -1.541 -1.876 101 HZ PHE 625 HZ PHE 625 -6.409 -3.230 -1.539 102 H LYS 626 HN LYS 626 -4.931 3.552 1.752 103 HA LYS 626 HA LYS 626 -2.340 2.819 1.173 104 HB2 LYS 626 HB2 LYS 626 -3.193 5.057 0.712 105 HB3 LYS 626 HB3 LYS 626 -3.323 5.391 2.433 106 HG2 LYS 626 HG2 LYS 626 -1.231 6.107 2.502 107 HG3 LYS 626 HG3 LYS 626 -0.648 4.588 1.819 108 HD2 LYS 626 HD2 LYS 626 -1.688 6.947 0.248 109 HD3 LYS 626 HD3 LYS 626 0.008 6.498 0.438 110 HE2 LYS 626 HE2 LYS 626 -0.874 4.185 -0.479 111 HE3 LYS 626 HE3 LYS 626 -2.139 5.206 -1.164 112 HZ1 LYS 626 HZ1 LYS 626 -0.330 4.933 -2.723 113 HZ2 LYS 626 HZ2 LYS 626 0.782 5.533 -1.600 114 HZ3 LYS 626 HZ3 LYS 626 -0.418 6.548 -2.226 115 H ASP 627 HN ASP 627 -3.617 3.990 4.259 116 HA ASP 627 HA ASP 627 -1.327 3.753 5.806 117 HB2 ASP 627 HB2 ASP 627 -3.331 4.870 6.632 118 HB3 ASP 627 HB3 ASP 627 -4.216 3.347 6.618 119 H MET 628 HN MET 628 -3.885 1.360 5.195 120 HA MET 628 HA MET 628 -2.987 -0.725 6.762 121 HB2 MET 628 HB2 MET 628 -5.090 -0.915 5.631 122 HB3 MET 628 HB3 MET 628 -4.325 -0.764 4.056 123 HG2 MET 628 HG2 MET 628 -3.134 -2.926 4.553 124 HG3 MET 628 HG3 MET 628 -4.190 -3.085 5.955 125 HE1 MET 628 HE1 MET 628 -5.691 -3.008 1.590 126 HE2 MET 628 HE2 MET 628 -5.081 -1.576 2.418 127 HE3 MET 628 HE3 MET 628 -3.990 -2.909 2.046 128 H LEU 629 HN LEU 629 -1.897 0.275 3.564 129 HA LEU 629 HA LEU 629 -0.250 -1.897 2.984 130 HB2 LEU 629 HB2 LEU 629 0.474 0.894 2.174 131 HB3 LEU 629 HB3 LEU 629 0.652 -0.595 1.279 132 HG LEU 629 HG LEU 629 -1.892 0.938 1.745 133 HD11 LEU 629 HD11 LEU 629 -0.173 0.400 -0.641 134 HD12 LEU 629 HD12 LEU 629 -1.865 0.874 -0.787 135 HD13 LEU 629 HD13 LEU 629 -0.716 1.946 0.011 136 HD21 LEU 629 HD21 LEU 629 -2.392 -1.431 1.907 137 HD22 LEU 629 HD22 LEU 629 -2.995 -0.775 0.384 138 HD23 LEU 629 HD23 LEU 629 -1.515 -1.735 0.407 139 H LEU 630 HN LEU 630 0.377 1.131 4.693 140 HA LEU 630 HA LEU 630 3.131 0.472 5.205 141 HB2 LEU 630 HB2 LEU 630 1.799 2.799 5.113 142 HB3 LEU 630 HB3 LEU 630 1.775 2.522 6.845 143 HG LEU 630 HG LEU 630 4.384 2.231 5.453 144 HD11 LEU 630 HD11 LEU 630 3.110 4.896 6.042 145 HD12 LEU 630 HD12 LEU 630 4.788 4.635 5.567 146 HD13 LEU 630 HD13 LEU 630 3.484 4.245 4.446 147 HD21 LEU 630 HD21 LEU 630 3.493 3.349 8.106 148 HD22 LEU 630 HD22 LEU 630 4.268 1.792 7.814 149 HD23 LEU 630 HD23 LEU 630 5.166 3.287 7.551 150 H GLU 631 HN GLU 631 0.179 -0.428 6.589 151 HA GLU 631 HA GLU 631 1.014 -0.649 9.310 152 HB2 GLU 631 HB2 GLU 631 -1.293 -1.827 7.770 153 HB3 GLU 631 HB3 GLU 631 -1.013 -2.195 9.466 154 HG2 GLU 631 HG2 GLU 631 -1.485 0.545 8.316 155 HG3 GLU 631 HG3 GLU 631 -2.665 -0.430 9.189 156 H ARG 632 HN ARG 632 0.524 -3.089 6.735 157 HA ARG 632 HA ARG 632 2.006 -5.021 8.352 158 HB2 ARG 632 HB2 ARG 632 0.625 -5.402 5.690 159 HB3 ARG 632 HB3 ARG 632 1.300 -6.673 6.698 160 HG2 ARG 632 HG2 ARG 632 -0.837 -6.869 7.354 161 HG3 ARG 632 HG3 ARG 632 -0.379 -5.574 8.462 162 HD2 ARG 632 HD2 ARG 632 -1.118 -3.979 6.599 163 HD3 ARG 632 HD3 ARG 632 -1.897 -5.389 5.882 164 HE ARG 632 HE ARG 632 -2.549 -4.398 8.582 165 HH11 ARG 632 HH12 ARG 632 -3.481 -5.694 5.485 166 HH12 ARG 632 HH11 ARG 632 -5.166 -5.769 5.879 167 HH21 ARG 632 HH22 ARG 632 -4.766 -4.492 9.109 168 HH22 ARG 632 HH21 ARG 632 -5.896 -5.083 7.937 169 H GLY 633 HN GLY 633 2.318 -3.018 5.557 170 HA2 GLY 633 HA1 GLY 633 4.426 -2.356 4.701 171 HA3 GLY 633 HA2 GLY 633 5.113 -3.860 5.306 172 H VAL 634 HN VAL 634 3.100 -2.430 2.823 173 HA VAL 634 HA VAL 634 3.086 -4.828 1.218 174 HB VAL 634 HB VAL 634 2.064 -2.028 0.666 175 HG11 VAL 634 HG11 VAL 634 2.708 -3.999 -1.229 176 HG12 VAL 634 HG12 VAL 634 0.952 -4.031 -1.065 177 HG13 VAL 634 HG13 VAL 634 1.772 -2.526 -1.483 178 HG21 VAL 634 HG21 VAL 634 0.821 -3.276 2.362 179 HG22 VAL 634 HG22 VAL 634 -0.139 -3.052 0.899 180 HG23 VAL 634 HG23 VAL 634 0.613 -4.613 1.231 181 H SER 635 HN SER 635 5.498 -4.654 1.586 182 HA SER 635 HA SER 635 7.549 -3.470 0.938 183 HB2 SER 635 HB2 SER 635 7.576 -5.858 0.677 184 HB3 SER 635 HB3 SER 635 6.705 -5.739 -0.851 185 HG SER 635 HG SER 635 8.489 -4.909 -1.815 186 H ALA 636 HN ALA 636 7.756 -1.548 0.063 187 HA ALA 636 HA ALA 636 6.385 -0.593 -2.188 188 HB1 ALA 636 HB1 ALA 636 8.978 0.476 -1.103 189 HB2 ALA 636 HB2 ALA 636 7.724 1.358 -1.976 190 HB3 ALA 636 HB3 ALA 636 7.407 0.757 -0.347 191 H PHE 637 HN PHE 637 8.472 -3.027 -2.294 192 HA PHE 637 HA PHE 637 9.091 -2.577 -5.069 193 HB2 PHE 637 HB2 PHE 637 11.569 -3.217 -4.581 194 HB3 PHE 637 HB3 PHE 637 11.054 -1.545 -4.387 195 HD1 PHE 637 HD1 PHE 637 12.038 -4.614 -2.638 196 HD2 PHE 637 HD2 PHE 637 10.976 -0.512 -2.219 197 HE1 PHE 637 HE1 PHE 637 12.869 -4.637 -0.323 198 HE2 PHE 637 HE2 PHE 637 11.805 -0.531 0.094 199 HZ PHE 637 HZ PHE 637 12.754 -2.592 1.045 200 H SER 638 HN SER 638 7.394 -4.404 -4.404 201 HA SER 638 HA SER 638 8.807 -6.911 -4.852 202 HB2 SER 638 HB2 SER 638 8.448 -6.696 -2.370 203 HB3 SER 638 HB3 SER 638 6.712 -6.705 -2.680 204 HG SER 638 HG SER 638 6.924 -8.791 -2.593 205 H THR 639 HN THR 639 6.540 -8.602 -4.583 206 HA THR 639 HA THR 639 5.048 -7.720 -6.941 207 HB THR 639 HB THR 639 5.740 -9.819 -7.484 208 HG1 THR 639 HG1 THR 639 3.812 -11.225 -6.366 209 HG21 THR 639 HG21 THR 639 6.910 -10.255 -5.373 210 HG22 THR 639 HG22 THR 639 6.030 -11.679 -5.928 211 HG23 THR 639 HG23 THR 639 5.378 -10.696 -4.619 212 H TRP 640 HN TRP 640 3.049 -7.088 -6.842 213 HA TRP 640 HA TRP 640 1.647 -6.440 -4.615 214 HB2 TRP 640 HB2 TRP 640 0.974 -5.529 -6.676 215 HB3 TRP 640 HB3 TRP 640 0.733 -7.113 -7.397 216 HD1 TRP 640 HD1 TRP 640 -1.597 -8.246 -7.099 217 HE1 TRP 640 HE1 TRP 640 -3.862 -7.425 -6.157 218 HE3 TRP 640 HE3 TRP 640 -0.023 -3.995 -4.753 219 HZ2 TRP 640 HZ2 TRP 640 -4.836 -5.271 -4.631 220 HZ3 TRP 640 HZ3 TRP 640 -1.678 -2.609 -3.570 221 HH2 TRP 640 HH2 TRP 640 -4.036 -3.236 -3.512 222 H GLU 641 HN GLU 641 1.895 -9.645 -5.962 223 HA GLU 641 HA GLU 641 -0.458 -10.645 -4.656 224 HB2 GLU 641 HB2 GLU 641 1.881 -12.155 -5.836 225 HB3 GLU 641 HB3 GLU 641 0.353 -12.869 -5.339 226 HG2 GLU 641 HG2 GLU 641 -0.824 -11.643 -7.047 227 HG3 GLU 641 HG3 GLU 641 0.653 -10.794 -7.497 228 H LYS 642 HN LYS 642 3.017 -10.852 -4.011 229 HA LYS 642 HA LYS 642 2.777 -12.363 -1.644 230 HB2 LYS 642 HB2 LYS 642 4.857 -10.574 -2.800 231 HB3 LYS 642 HB3 LYS 642 4.957 -10.910 -1.078 232 HG2 LYS 642 HG2 LYS 642 6.324 -12.429 -2.470 233 HG3 LYS 642 HG3 LYS 642 5.131 -13.263 -1.477 234 HD2 LYS 642 HD2 LYS 642 3.674 -13.538 -3.383 235 HD3 LYS 642 HD3 LYS 642 4.755 -12.576 -4.392 236 HE2 LYS 642 HE2 LYS 642 6.513 -14.263 -4.096 237 HE3 LYS 642 HE3 LYS 642 5.415 -15.225 -3.107 238 HZ1 LYS 642 HZ1 LYS 642 3.945 -15.435 -5.021 239 HZ2 LYS 642 HZ2 LYS 642 5.484 -16.041 -5.372 240 HZ3 LYS 642 HZ3 LYS 642 5.015 -14.528 -5.968 241 H GLU 643 HN GLU 643 2.638 -8.976 -2.416 242 HA GLU 643 HA GLU 643 2.332 -8.035 0.218 243 HB2 GLU 643 HB2 GLU 643 1.365 -6.688 -2.298 244 HB3 GLU 643 HB3 GLU 643 1.766 -5.924 -0.768 245 HG2 GLU 643 HG2 GLU 643 3.601 -7.093 -2.820 246 HG3 GLU 643 HG3 GLU 643 3.599 -5.470 -2.135 247 H LEU 644 HN LEU 644 0.215 -9.487 -2.080 248 HA LEU 644 HA LEU 644 -2.255 -8.561 -1.154 249 HB2 LEU 644 HB2 LEU 644 -1.401 -10.645 -2.880 250 HB3 LEU 644 HB3 LEU 644 -2.475 -11.351 -1.711 251 HG LEU 644 HG LEU 644 -4.124 -9.552 -2.331 252 HD11 LEU 644 HD11 LEU 644 -2.199 -9.231 -4.609 253 HD12 LEU 644 HD12 LEU 644 -3.836 -8.577 -4.560 254 HD13 LEU 644 HD13 LEU 644 -2.628 -8.013 -3.407 255 HD21 LEU 644 HD21 LEU 644 -4.322 -11.880 -3.026 256 HD22 LEU 644 HD22 LEU 644 -4.887 -10.783 -4.288 257 HD23 LEU 644 HD23 LEU 644 -3.304 -11.548 -4.427 258 H HIS 645 HN HIS 645 -0.953 -11.805 -0.453 259 HA HIS 645 HA HIS 645 -2.577 -12.402 1.629 260 HB2 HIS 645 HB2 HIS 645 -0.935 -13.962 2.469 261 HB3 HIS 645 HB3 HIS 645 -0.929 -13.983 0.714 262 HD2 HIS 645 HD2 HIS 645 1.518 -13.886 -0.333 263 HE1 HIS 645 HE1 HIS 645 3.493 -12.241 3.029 264 HE2 HIS 645 HE2 HIS 645 3.803 -13.339 0.764 265 H LYS 646 HN LYS 646 0.330 -10.413 1.810 266 HA LYS 646 HA LYS 646 0.577 -10.122 4.541 267 HB2 LYS 646 HB2 LYS 646 0.991 -8.089 2.358 268 HB3 LYS 646 HB3 LYS 646 1.436 -7.800 4.033 269 HG2 LYS 646 HG2 LYS 646 2.713 -10.098 3.694 270 HG3 LYS 646 HG3 LYS 646 2.683 -9.568 2.012 271 HD2 LYS 646 HD2 LYS 646 4.722 -8.808 3.053 272 HD3 LYS 646 HD3 LYS 646 3.689 -7.418 2.714 273 HE2 LYS 646 HE2 LYS 646 3.095 -7.170 4.972 274 HE3 LYS 646 HE3 LYS 646 3.670 -8.782 5.387 275 HZ1 LYS 646 HZ1 LYS 646 5.938 -8.026 4.956 276 HZ2 LYS 646 HZ2 LYS 646 5.203 -7.102 6.166 277 HZ3 LYS 646 HZ3 LYS 646 5.366 -6.473 4.605 278 H ILE 647 HN ILE 647 -1.558 -8.269 2.400 279 HA ILE 647 HA ILE 647 -2.802 -6.992 4.730 280 HB ILE 647 HB ILE 647 -3.973 -5.617 2.969 281 HG12 ILE 647 HG12 ILE 647 -2.117 -7.262 1.265 282 HG13 ILE 647 HG13 ILE 647 -3.836 -6.972 1.044 283 HG21 ILE 647 HG21 ILE 647 -0.958 -5.557 3.070 284 HG22 ILE 647 HG22 ILE 647 -1.993 -4.225 2.561 285 HG23 ILE 647 HG23 ILE 647 -2.054 -4.802 4.225 286 HD11 ILE 647 HD11 ILE 647 -3.389 -4.691 0.398 287 HD12 ILE 647 HD12 ILE 647 -1.663 -4.932 0.689 288 HD13 ILE 647 HD13 ILE 647 -2.474 -5.821 -0.603 289 H VAL 648 HN VAL 648 -3.796 -8.746 1.798 290 HA VAL 648 HA VAL 648 -6.481 -8.795 1.971 291 HB VAL 648 HB VAL 648 -6.540 -10.743 0.674 292 HG11 VAL 648 HG11 VAL 648 -5.603 -9.446 -0.842 293 HG12 VAL 648 HG12 VAL 648 -4.330 -8.914 0.255 294 HG13 VAL 648 HG13 VAL 648 -4.182 -10.453 -0.590 295 HG21 VAL 648 HG21 VAL 648 -5.514 -12.391 1.944 296 HG22 VAL 648 HG22 VAL 648 -4.472 -12.236 0.530 297 HG23 VAL 648 HG23 VAL 648 -4.004 -11.487 2.058 298 H PHE 649 HN PHE 649 -4.317 -10.518 4.158 299 HA PHE 649 HA PHE 649 -6.116 -12.359 5.223 300 HB2 PHE 649 HB2 PHE 649 -4.689 -12.549 7.050 301 HB3 PHE 649 HB3 PHE 649 -3.612 -11.869 5.837 302 HD1 PHE 649 HD1 PHE 649 -3.502 -9.244 5.809 303 HD2 PHE 649 HD2 PHE 649 -4.752 -11.588 9.132 304 HE1 PHE 649 HE1 PHE 649 -2.974 -7.374 7.318 305 HE2 PHE 649 HE2 PHE 649 -4.230 -9.720 10.649 306 HZ PHE 649 HZ PHE 649 -3.332 -7.623 9.754 307 H ASP 650 HN ASP 650 -6.382 -9.080 5.025 308 HA ASP 650 HA ASP 650 -8.345 -8.836 7.196 309 HB2 ASP 650 HB2 ASP 650 -6.148 -7.222 6.519 310 HB3 ASP 650 HB3 ASP 650 -7.547 -6.347 5.925 311 HA PRO 651 HA PRO 651 -11.336 -8.289 3.925 312 HB2 PRO 651 HB2 PRO 651 -13.386 -7.227 5.285 313 HB3 PRO 651 HB3 PRO 651 -12.856 -8.889 5.576 314 HG2 PRO 651 HG2 PRO 651 -12.297 -6.419 7.165 315 HG3 PRO 651 HG3 PRO 651 -12.692 -8.048 7.734 316 HD2 PRO 651 HD2 PRO 651 -10.143 -7.008 7.617 317 HD3 PRO 651 HD3 PRO 651 -10.524 -8.738 7.600 318 H ARG 652 HN ARG 652 -9.816 -5.702 5.486 319 HA ARG 652 HA ARG 652 -11.294 -3.637 4.119 320 HB2 ARG 652 HB2 ARG 652 -9.782 -2.064 5.120 321 HB3 ARG 652 HB3 ARG 652 -10.262 -3.233 6.340 322 HG2 ARG 652 HG2 ARG 652 -8.168 -4.193 6.435 323 HG3 ARG 652 HG3 ARG 652 -7.724 -3.627 4.822 324 HD2 ARG 652 HD2 ARG 652 -7.271 -1.481 5.556 325 HD3 ARG 652 HD3 ARG 652 -8.282 -1.644 6.990 326 HE ARG 652 HE ARG 652 -5.992 -3.379 6.984 327 HH11 ARG 652 HH12 ARG 652 -7.177 -0.198 7.770 328 HH12 ARG 652 HH11 ARG 652 -5.941 0.115 8.943 329 HH21 ARG 652 HH22 ARG 652 -4.356 -2.971 8.531 330 HH22 ARG 652 HH21 ARG 652 -4.340 -1.460 9.374 331 H TYR 653 HN TYR 653 -9.228 -5.907 3.069 332 HA TYR 653 HA TYR 653 -7.584 -4.326 1.332 333 HB2 TYR 653 HB2 TYR 653 -6.592 -6.382 1.904 334 HB3 TYR 653 HB3 TYR 653 -8.087 -7.274 1.658 335 HD1 TYR 653 HD2 TYR 653 -5.411 -5.438 -0.186 336 HD2 TYR 653 HD1 TYR 653 -8.522 -8.326 -0.376 337 HE1 TYR 653 HE2 TYR 653 -4.719 -6.027 -2.461 338 HE2 TYR 653 HE1 TYR 653 -7.843 -8.920 -2.651 339 HH TYR 653 HH TYR 653 -6.632 -7.941 -4.530 340 H LEU 654 HN LEU 654 -10.709 -5.699 1.349 341 HA LEU 654 HA LEU 654 -11.057 -5.561 -1.531 342 HB2 LEU 654 HB2 LEU 654 -13.196 -6.216 0.469 343 HB3 LEU 654 HB3 LEU 654 -13.085 -6.707 -1.212 344 HG LEU 654 HG LEU 654 -11.269 -7.693 0.989 345 HD11 LEU 654 HD11 LEU 654 -12.476 -9.781 0.837 346 HD12 LEU 654 HD12 LEU 654 -13.580 -8.471 1.256 347 HD13 LEU 654 HD13 LEU 654 -13.546 -9.103 -0.391 348 HD21 LEU 654 HD21 LEU 654 -10.234 -7.661 -1.236 349 HD22 LEU 654 HD22 LEU 654 -10.501 -9.304 -0.653 350 HD23 LEU 654 HD23 LEU 654 -11.579 -8.613 -1.865 351 H LEU 655 HN LEU 655 -10.629 -3.138 0.126 352 HA LEU 655 HA LEU 655 -13.133 -1.769 0.294 353 HB2 LEU 655 HB2 LEU 655 -10.268 -0.973 0.620 354 HB3 LEU 655 HB3 LEU 655 -11.511 0.257 0.519 355 HG LEU 655 HG LEU 655 -11.416 -1.945 2.583 356 HD11 LEU 655 HD11 LEU 655 -10.781 0.994 2.806 357 HD12 LEU 655 HD12 LEU 655 -10.875 -0.140 4.154 358 HD13 LEU 655 HD13 LEU 655 -9.629 -0.336 2.921 359 HD21 LEU 655 HD21 LEU 655 -13.244 0.439 2.309 360 HD22 LEU 655 HD22 LEU 655 -13.694 -1.251 2.078 361 HD23 LEU 655 HD23 LEU 655 -13.208 -0.677 3.674 362 H LEU 656 HN LEU 656 -10.301 -0.608 -1.522 363 HA LEU 656 HA LEU 656 -11.909 0.813 -3.370 364 HB2 LEU 656 HB2 LEU 656 -8.994 0.089 -3.336 365 HB3 LEU 656 HB3 LEU 656 -9.708 0.918 -4.695 366 HG LEU 656 HG LEU 656 -8.682 2.575 -3.354 367 HD11 LEU 656 HD11 LEU 656 -10.871 3.168 -4.246 368 HD12 LEU 656 HD12 LEU 656 -11.632 2.600 -2.764 369 HD13 LEU 656 HD13 LEU 656 -10.550 3.990 -2.720 370 HD21 LEU 656 HD21 LEU 656 -9.222 2.898 -0.978 371 HD22 LEU 656 HD22 LEU 656 -10.173 1.411 -1.008 372 HD23 LEU 656 HD23 LEU 656 -8.432 1.351 -1.286 373 H ASN 657 HN ASN 657 -11.485 0.541 -5.788 374 HA ASN 657 HA ASN 657 -12.288 -2.164 -6.518 375 HB2 ASN 657 HB2 ASN 657 -12.102 0.278 -8.297 376 HB3 ASN 657 HB3 ASN 657 -13.006 -1.202 -8.603 377 HD21 ASN 657 HD21 ASN 657 -12.907 1.792 -6.866 378 HD22 ASN 657 HD22 ASN 657 -14.542 1.762 -6.311 379 HA PRO 658 HA PRO 658 -8.530 -3.602 -8.349 380 HB2 PRO 658 HB2 PRO 658 -9.222 -3.923 -11.030 381 HB3 PRO 658 HB3 PRO 658 -9.475 -5.118 -9.753 382 HG2 PRO 658 HG2 PRO 658 -11.382 -3.095 -10.860 383 HG3 PRO 658 HG3 PRO 658 -11.676 -4.797 -10.444 384 HD2 PRO 658 HD2 PRO 658 -12.486 -2.887 -8.807 385 HD3 PRO 658 HD3 PRO 658 -11.699 -4.336 -8.138 386 H LYS 659 HN LYS 659 -9.947 -0.697 -9.316 387 HA LYS 659 HA LYS 659 -7.677 0.062 -11.016 388 HB2 LYS 659 HB2 LYS 659 -10.028 0.478 -11.815 389 HB3 LYS 659 HB3 LYS 659 -10.220 1.609 -10.484 390 HG2 LYS 659 HG2 LYS 659 -9.724 2.849 -12.459 391 HG3 LYS 659 HG3 LYS 659 -8.318 2.920 -11.397 392 HD2 LYS 659 HD2 LYS 659 -7.557 2.542 -13.644 393 HD3 LYS 659 HD3 LYS 659 -7.307 1.064 -12.713 394 HE2 LYS 659 HE2 LYS 659 -9.409 0.162 -13.645 395 HE3 LYS 659 HE3 LYS 659 -9.575 1.619 -14.624 396 HZ1 LYS 659 HZ1 LYS 659 -8.605 -0.178 -15.899 397 HZ2 LYS 659 HZ2 LYS 659 -7.344 -0.337 -14.784 398 HZ3 LYS 659 HZ3 LYS 659 -7.480 1.071 -15.711 399 H GLU 660 HN GLU 660 -9.653 1.411 -8.388 400 HA GLU 660 HA GLU 660 -7.877 3.452 -7.672 401 HB2 GLU 660 HB2 GLU 660 -9.923 2.007 -5.983 402 HB3 GLU 660 HB3 GLU 660 -9.131 3.511 -5.534 403 HG2 GLU 660 HG2 GLU 660 -10.922 3.105 -7.918 404 HG3 GLU 660 HG3 GLU 660 -11.372 3.893 -6.407 405 H ARG 661 HN ARG 661 -7.800 0.063 -7.098 406 HA ARG 661 HA ARG 661 -6.018 0.212 -4.834 407 HB2 ARG 661 HB2 ARG 661 -6.710 -2.134 -6.617 408 HB3 ARG 661 HB3 ARG 661 -5.832 -2.227 -5.097 409 HG2 ARG 661 HG2 ARG 661 -8.012 -1.005 -4.210 410 HG3 ARG 661 HG3 ARG 661 -8.717 -1.828 -5.599 411 HD2 ARG 661 HD2 ARG 661 -7.319 -3.019 -3.238 412 HD3 ARG 661 HD3 ARG 661 -8.972 -3.296 -3.776 413 HE ARG 661 HE ARG 661 -6.695 -4.163 -5.424 414 HH11 ARG 661 HH12 ARG 661 -9.598 -4.878 -3.633 415 HH12 ARG 661 HH11 ARG 661 -9.710 -6.505 -4.218 416 HH21 ARG 661 HH22 ARG 661 -6.835 -6.301 -6.198 417 HH22 ARG 661 HH21 ARG 661 -8.138 -7.314 -5.674 418 H LYS 662 HN LYS 662 -5.811 -0.053 -8.284 419 HA LYS 662 HA LYS 662 -3.101 -0.815 -8.514 420 HB2 LYS 662 HB2 LYS 662 -4.687 -1.032 -10.351 421 HB3 LYS 662 HB3 LYS 662 -4.846 0.718 -10.431 422 HG2 LYS 662 HG2 LYS 662 -2.084 -0.025 -10.619 423 HG3 LYS 662 HG3 LYS 662 -3.041 -0.898 -11.819 424 HD2 LYS 662 HD2 LYS 662 -2.899 0.953 -13.051 425 HD3 LYS 662 HD3 LYS 662 -4.074 1.634 -11.927 426 HE2 LYS 662 HE2 LYS 662 -2.183 3.136 -12.208 427 HE3 LYS 662 HE3 LYS 662 -2.251 2.518 -10.559 428 HZ1 LYS 662 HZ1 LYS 662 0.001 2.480 -11.391 429 HZ2 LYS 662 HZ2 LYS 662 -0.463 1.537 -12.717 430 HZ3 LYS 662 HZ3 LYS 662 -0.546 0.896 -11.154 431 H GLN 663 HN GLN 663 -4.684 2.292 -8.120 432 HA GLN 663 HA GLN 663 -2.284 3.799 -8.637 433 HB2 GLN 663 HB2 GLN 663 -3.704 5.713 -7.718 434 HB3 GLN 663 HB3 GLN 663 -4.275 4.937 -9.189 435 HG2 GLN 663 HG2 GLN 663 -5.905 3.680 -7.956 436 HG3 GLN 663 HG3 GLN 663 -5.272 4.289 -6.429 437 HE21 GLN 663 HE21 GLN 663 -7.301 5.087 -5.881 438 HE22 GLN 663 HE22 GLN 663 -7.938 6.527 -6.587 439 H VAL 664 HN VAL 664 -4.193 2.967 -5.734 440 HA VAL 664 HA VAL 664 -2.578 4.310 -3.878 441 HB VAL 664 HB VAL 664 -4.089 1.732 -3.400 442 HG11 VAL 664 HG11 VAL 664 -4.031 2.226 -1.112 443 HG12 VAL 664 HG12 VAL 664 -2.395 2.580 -1.671 444 HG13 VAL 664 HG13 VAL 664 -3.536 3.895 -1.394 445 HG21 VAL 664 HG21 VAL 664 -5.349 3.741 -4.410 446 HG22 VAL 664 HG22 VAL 664 -6.018 2.965 -2.974 447 HG23 VAL 664 HG23 VAL 664 -5.130 4.480 -2.825 448 H PHE 665 HN PHE 665 -2.103 1.359 -5.614 449 HA PHE 665 HA PHE 665 -0.023 0.333 -3.912 450 HB2 PHE 665 HB2 PHE 665 -1.258 -1.288 -5.140 451 HB3 PHE 665 HB3 PHE 665 -1.031 -0.423 -6.654 452 HD1 PHE 665 HD2 PHE 665 1.159 -1.815 -3.965 453 HD2 PHE 665 HD1 PHE 665 0.387 -1.452 -8.135 454 HE1 PHE 665 HE2 PHE 665 3.134 -3.199 -4.448 455 HE2 PHE 665 HE1 PHE 665 2.360 -2.834 -8.623 456 HZ PHE 665 HZ PHE 665 3.719 -3.727 -6.806 457 H ASP 666 HN ASP 666 -0.073 1.685 -7.210 458 HA ASP 666 HA ASP 666 2.726 1.783 -7.513 459 HB2 ASP 666 HB2 ASP 666 0.394 3.028 -8.908 460 HB3 ASP 666 HB3 ASP 666 2.013 3.606 -9.281 461 H GLN 667 HN GLN 667 0.457 3.913 -6.015 462 HA GLN 667 HA GLN 667 2.191 6.196 -5.928 463 HB2 GLN 667 HB2 GLN 667 -0.541 5.513 -4.971 464 HB3 GLN 667 HB3 GLN 667 0.311 6.806 -4.126 465 HG2 GLN 667 HG2 GLN 667 -0.026 6.742 -7.104 466 HG3 GLN 667 HG3 GLN 667 -1.193 7.488 -6.018 467 HE21 GLN 667 HE21 GLN 667 1.995 7.679 -7.376 468 HE22 GLN 667 HE22 GLN 667 2.330 9.301 -6.884 469 H TYR 668 HN TYR 668 1.299 3.553 -3.782 470 HA TYR 668 HA TYR 668 2.561 4.656 -1.474 471 HB2 TYR 668 HB2 TYR 668 0.812 3.050 -1.137 472 HB3 TYR 668 HB3 TYR 668 1.611 1.879 -2.183 473 HD1 TYR 668 HD2 TYR 668 1.947 3.660 1.056 474 HD2 TYR 668 HD1 TYR 668 3.121 0.335 -1.315 475 HE1 TYR 668 HE2 TYR 668 3.085 2.686 2.998 476 HE2 TYR 668 HE1 TYR 668 4.263 -0.650 0.616 477 HH TYR 668 HH TYR 668 3.831 0.495 3.793 478 H VAL 669 HN VAL 669 3.392 2.079 -3.763 479 HA VAL 669 HA VAL 669 5.895 1.454 -2.710 480 HB VAL 669 HB VAL 669 6.398 0.418 -4.838 481 HG11 VAL 669 HG11 VAL 669 3.518 0.080 -4.033 482 HG12 VAL 669 HG12 VAL 669 4.426 -1.042 -5.047 483 HG13 VAL 669 HG13 VAL 669 4.907 -0.781 -3.371 484 HG21 VAL 669 HG21 VAL 669 4.898 0.643 -6.764 485 HG22 VAL 669 HG22 VAL 669 3.960 1.849 -5.884 486 HG23 VAL 669 HG23 VAL 669 5.634 2.187 -6.326 487 H LYS 670 HN LYS 670 4.911 3.931 -4.999 488 HA LYS 670 HA LYS 670 7.475 4.647 -5.876 489 HB2 LYS 670 HB2 LYS 670 5.304 5.327 -6.930 490 HB3 LYS 670 HB3 LYS 670 5.088 6.477 -5.618 491 HG2 LYS 670 HG2 LYS 670 7.567 7.133 -6.479 492 HG3 LYS 670 HG3 LYS 670 6.809 6.609 -7.983 493 HD2 LYS 670 HD2 LYS 670 6.401 8.939 -7.792 494 HD3 LYS 670 HD3 LYS 670 4.883 8.129 -7.414 495 HE2 LYS 670 HE2 LYS 670 5.371 8.375 -5.016 496 HE3 LYS 670 HE3 LYS 670 6.864 9.222 -5.419 497 HZ1 LYS 670 HZ1 LYS 670 5.137 10.793 -4.892 498 HZ2 LYS 670 HZ2 LYS 670 4.107 10.126 -6.057 499 HZ3 LYS 670 HZ3 LYS 670 5.520 10.922 -6.536 500 H THR 671 HN THR 671 5.419 6.461 -3.581 501 HA THR 671 HA THR 671 7.504 8.140 -2.700 502 HB THR 671 HB THR 671 5.229 8.828 -2.371 503 HG1 THR 671 HG1 THR 671 7.061 8.873 -0.475 504 HG21 THR 671 HG21 THR 671 3.631 7.710 -1.067 505 HG22 THR 671 HG22 THR 671 4.846 6.697 -0.287 506 HG23 THR 671 HG23 THR 671 4.422 6.423 -1.976 507 H ARG 672 HN ARG 672 6.170 5.180 -1.249 508 HA ARG 672 HA ARG 672 7.675 5.201 1.100 509 HB2 ARG 672 HB2 ARG 672 5.745 3.709 0.688 510 HB3 ARG 672 HB3 ARG 672 6.728 2.777 -0.433 511 HG2 ARG 672 HG2 ARG 672 6.642 1.635 1.672 512 HG3 ARG 672 HG3 ARG 672 8.277 2.253 1.425 513 HD2 ARG 672 HD2 ARG 672 7.730 4.187 2.854 514 HD3 ARG 672 HD3 ARG 672 6.133 3.500 3.141 515 HE ARG 672 HE ARG 672 7.944 1.548 3.860 516 HH11 ARG 672 HH12 ARG 672 7.205 4.813 4.827 517 HH12 ARG 672 HH11 ARG 672 7.721 4.581 6.465 518 HH21 ARG 672 HH22 ARG 672 8.625 1.233 6.014 519 HH22 ARG 672 HH21 ARG 672 8.525 2.547 7.139 520 H ALA 673 HN ALA 673 8.417 3.624 -2.018 521 HA ALA 673 HA ALA 673 10.817 2.428 -1.241 522 HB1 ALA 673 HB1 ALA 673 10.098 3.487 -3.972 523 HB2 ALA 673 HB2 ALA 673 11.380 2.329 -3.609 524 HB3 ALA 673 HB3 ALA 673 9.693 1.890 -3.340 525 H GLU 674 HN GLU 674 10.149 5.706 -2.359 526 HA GLU 674 HA GLU 674 12.765 6.575 -2.773 527 HB2 GLU 674 HB2 GLU 674 10.324 8.071 -1.816 528 HB3 GLU 674 HB3 GLU 674 11.847 8.863 -2.194 529 HG2 GLU 674 HG2 GLU 674 10.205 7.231 -4.116 530 HG3 GLU 674 HG3 GLU 674 10.246 8.990 -4.037 531 H GLU 675 HN GLU 675 10.787 6.863 0.182 532 HA GLU 675 HA GLU 675 12.888 7.898 1.778 533 HB2 GLU 675 HB2 GLU 675 10.399 6.430 2.669 534 HB3 GLU 675 HB3 GLU 675 11.411 7.460 3.673 535 HG2 GLU 675 HG2 GLU 675 9.851 8.375 1.268 536 HG3 GLU 675 HG3 GLU 675 9.346 8.568 2.946 537 H GLU 676 HN GLU 676 11.526 4.638 1.468 538 HA GLU 676 HA GLU 676 13.021 3.302 3.357 539 HB2 GLU 676 HB2 GLU 676 11.221 2.635 1.360 540 HB3 GLU 676 HB3 GLU 676 12.669 1.731 0.944 541 HG2 GLU 676 HG2 GLU 676 11.136 1.640 3.522 542 HG3 GLU 676 HG3 GLU 676 11.259 0.375 2.301 543 H ARG 677 HN ARG 677 13.685 3.064 -0.109 544 HA ARG 677 HA ARG 677 16.166 1.935 -0.017 545 HB2 ARG 677 HB2 ARG 677 14.930 2.201 -2.079 546 HB3 ARG 677 HB3 ARG 677 15.127 3.946 -2.013 547 HG2 ARG 677 HG2 ARG 677 17.540 3.688 -2.281 548 HG3 ARG 677 HG3 ARG 677 17.342 1.935 -2.348 549 HD2 ARG 677 HD2 ARG 677 17.545 2.833 -4.588 550 HD3 ARG 677 HD3 ARG 677 15.922 2.191 -4.337 551 HE ARG 677 HE ARG 677 15.785 4.875 -3.718 552 HH11 ARG 677 HH12 ARG 677 16.590 2.945 -6.504 553 HH12 ARG 677 HH11 ARG 677 16.057 4.135 -7.643 554 HH21 ARG 677 HH22 ARG 677 15.078 6.447 -5.210 555 HH22 ARG 677 HH21 ARG 677 15.197 6.127 -6.908 556 H ARG 678 HN ARG 678 15.545 5.466 -0.102 557 HA ARG 678 HA ARG 678 18.232 6.238 -0.099 558 HB2 ARG 678 HB2 ARG 678 17.510 8.424 0.442 559 HB3 ARG 678 HB3 ARG 678 16.224 7.722 -0.519 560 HG2 ARG 678 HG2 ARG 678 14.857 7.391 1.381 561 HG3 ARG 678 HG3 ARG 678 16.183 7.780 2.473 562 HD2 ARG 678 HD2 ARG 678 14.712 9.673 2.346 563 HD3 ARG 678 HD3 ARG 678 16.225 10.070 1.530 564 HE ARG 678 HE ARG 678 14.400 9.081 -0.360 565 HH11 ARG 678 HH12 ARG 678 14.914 11.865 1.674 566 HH12 ARG 678 HH11 ARG 678 14.080 12.953 0.616 567 HH21 ARG 678 HH22 ARG 678 13.298 10.510 -1.759 568 HH22 ARG 678 HH21 ARG 678 13.165 12.184 -1.337 569 H GLU 679 HN GLU 679 16.219 5.094 2.461 570 HA GLU 679 HA GLU 679 18.097 5.949 4.516 571 HB2 GLU 679 HB2 GLU 679 15.434 4.543 4.626 572 HB3 GLU 679 HB3 GLU 679 16.441 4.773 6.049 573 HG2 GLU 679 HG2 GLU 679 16.337 7.191 5.732 574 HG3 GLU 679 HG3 GLU 679 15.329 6.961 4.306 575 H LYS 680 HN LYS 680 17.508 3.222 2.549 576 HA LYS 680 HA LYS 680 19.049 1.499 4.366 577 HB2 LYS 680 HB2 LYS 680 17.244 0.794 2.049 578 HB3 LYS 680 HB3 LYS 680 18.230 -0.376 2.913 579 HG2 LYS 680 HG2 LYS 680 16.063 1.317 4.142 580 HG3 LYS 680 HG3 LYS 680 15.900 -0.375 3.669 581 HD2 LYS 680 HD2 LYS 680 17.656 -0.989 5.260 582 HD3 LYS 680 HD3 LYS 680 17.826 0.704 5.728 583 HE2 LYS 680 HE2 LYS 680 15.493 0.709 6.496 584 HE3 LYS 680 HE3 LYS 680 15.354 -0.992 6.057 585 HZ1 LYS 680 HZ1 LYS 680 17.202 0.132 8.093 586 HZ2 LYS 680 HZ2 LYS 680 17.094 -1.500 7.665 587 HZ3 LYS 680 HZ3 LYS 680 15.784 -0.735 8.411 588 H LYS 681 HN LYS 681 18.703 1.126 0.876 589 HA LYS 681 HA LYS 681 21.226 2.175 0.159 590 HB2 LYS 681 HB2 LYS 681 21.807 0.069 1.534 591 HB3 LYS 681 HB3 LYS 681 21.207 -0.834 0.150 592 HG2 LYS 681 HG2 LYS 681 22.882 0.129 -1.275 593 HG3 LYS 681 HG3 LYS 681 23.416 1.207 0.016 594 HD2 LYS 681 HD2 LYS 681 24.002 -0.817 1.357 595 HD3 LYS 681 HD3 LYS 681 23.632 -1.800 -0.060 596 HE2 LYS 681 HE2 LYS 681 25.730 0.361 0.107 597 HE3 LYS 681 HE3 LYS 681 26.029 -1.376 0.122 598 HZ1 LYS 681 HZ1 LYS 681 25.075 -1.507 -2.105 599 HZ2 LYS 681 HZ2 LYS 681 26.401 -0.458 -2.069 600 HZ3 LYS 681 HZ3 LYS 681 24.830 0.166 -2.115 601 H ASN 682 HN ASN 682 19.177 -0.634 -0.663 602 HA ASN 682 HA ASN 682 18.380 0.599 -3.141 603 HB2 ASN 682 HB2 ASN 682 20.622 -0.402 -3.659 604 HB3 ASN 682 HB3 ASN 682 19.947 -1.983 -3.279 605 HD21 ASN 682 HD21 ASN 682 19.918 0.690 -5.503 606 HD22 ASN 682 HD22 ASN 682 19.109 -0.129 -6.790 607 H LYS 683 HN LYS 683 18.531 -2.445 -1.311 608 HA LYS 683 HA LYS 683 15.646 -2.750 -1.715 609 HB2 LYS 683 HB2 LYS 683 17.690 -4.927 -2.188 610 HB3 LYS 683 HB3 LYS 683 15.951 -5.184 -2.126 611 HG2 LYS 683 HG2 LYS 683 15.639 -3.782 -4.069 612 HG3 LYS 683 HG3 LYS 683 17.362 -3.408 -4.106 613 HD2 LYS 683 HD2 LYS 683 16.911 -5.095 -5.753 614 HD3 LYS 683 HD3 LYS 683 17.818 -5.833 -4.433 615 HE2 LYS 683 HE2 LYS 683 15.775 -6.769 -3.519 616 HE3 LYS 683 HE3 LYS 683 14.824 -5.967 -4.766 617 HZ1 LYS 683 HZ1 LYS 683 15.945 -7.292 -6.437 618 HZ2 LYS 683 HZ2 LYS 683 15.212 -8.297 -5.289 619 HZ3 LYS 683 HZ3 LYS 683 16.884 -8.050 -5.250 Start of MODEL 4 1 H1 GLY 613 H1 GLY 613 -7.214 13.900 10.263 2 H2 GLY 613 H2 GLY 613 -8.519 14.835 9.731 3 H3 GLY 613 H3 GLY 613 -6.974 15.517 9.823 4 HA2 GLY 613 HA2 GLY 613 -7.546 15.015 7.533 5 HA3 GLY 613 HA1 GLY 613 -6.171 14.069 8.083 6 H ALA 614 HN ALA 614 -9.595 13.549 8.814 7 HA ALA 614 HA ALA 614 -9.625 11.197 7.080 8 HB1 ALA 614 HB1 ALA 614 -10.399 9.724 8.834 9 HB2 ALA 614 HB2 ALA 614 -8.840 10.415 9.282 10 HB3 ALA 614 HB3 ALA 614 -10.321 11.036 10.009 11 H MET 615 HN MET 615 -11.036 12.741 5.945 12 HA MET 615 HA MET 615 -13.794 12.473 6.899 13 HB2 MET 615 HB2 MET 615 -12.566 15.028 5.844 14 HB3 MET 615 HB3 MET 615 -14.283 14.787 6.139 15 HG2 MET 615 HG2 MET 615 -13.838 14.445 8.510 16 HG3 MET 615 HG3 MET 615 -12.113 14.667 8.221 17 HE1 MET 615 HE1 MET 615 -13.134 17.926 10.158 18 HE2 MET 615 HE2 MET 615 -13.798 16.309 10.398 19 HE3 MET 615 HE3 MET 615 -12.068 16.522 10.134 20 H GLY 616 HN GLY 616 -15.354 12.306 5.282 21 HA2 GLY 616 HA1 GLY 616 -15.904 12.606 2.892 22 HA3 GLY 616 HA2 GLY 616 -14.279 12.035 2.542 23 H SER 617 HN SER 617 -15.471 10.518 1.144 24 HA SER 617 HA SER 617 -16.368 8.173 2.686 25 HB2 SER 617 HB2 SER 617 -17.850 7.619 0.758 26 HB3 SER 617 HB3 SER 617 -18.288 9.129 1.557 27 HG SER 617 HG SER 617 -18.210 9.835 -0.439 28 H LEU 618 HN LEU 618 -15.393 8.947 -0.664 29 HA LEU 618 HA LEU 618 -14.156 6.398 -1.020 30 HB2 LEU 618 HB2 LEU 618 -15.140 7.629 -2.892 31 HB3 LEU 618 HB3 LEU 618 -13.961 8.910 -2.681 32 HG LEU 618 HG LEU 618 -12.174 7.166 -3.148 33 HD11 LEU 618 HD11 LEU 618 -14.581 5.613 -4.084 34 HD12 LEU 618 HD12 LEU 618 -12.900 5.195 -4.414 35 HD13 LEU 618 HD13 LEU 618 -13.503 5.178 -2.757 36 HD21 LEU 618 HD21 LEU 618 -14.156 7.852 -5.312 37 HD22 LEU 618 HD22 LEU 618 -12.803 8.847 -4.774 38 HD23 LEU 618 HD23 LEU 618 -12.500 7.305 -5.574 39 H GLU 619 HN GLU 619 -12.904 9.707 -0.644 40 HA GLU 619 HA GLU 619 -10.193 9.159 -0.823 41 HB2 GLU 619 HB2 GLU 619 -11.356 11.428 -0.644 42 HB3 GLU 619 HB3 GLU 619 -11.364 11.175 1.095 43 HG2 GLU 619 HG2 GLU 619 -8.863 11.144 -0.573 44 HG3 GLU 619 HG3 GLU 619 -9.497 12.589 0.210 45 H ALA 620 HN ALA 620 -12.293 9.103 2.043 46 HA ALA 620 HA ALA 620 -10.349 8.462 3.935 47 HB1 ALA 620 HB1 ALA 620 -12.634 9.144 4.523 48 HB2 ALA 620 HB2 ALA 620 -13.241 7.602 3.919 49 HB3 ALA 620 HB3 ALA 620 -12.171 7.640 5.320 50 H ARG 621 HN ARG 621 -12.257 6.413 1.778 51 HA ARG 621 HA ARG 621 -11.440 3.936 2.844 52 HB2 ARG 621 HB2 ARG 621 -13.349 4.007 1.405 53 HB3 ARG 621 HB3 ARG 621 -12.422 4.743 0.108 54 HG2 ARG 621 HG2 ARG 621 -11.276 2.735 -0.345 55 HG3 ARG 621 HG3 ARG 621 -11.832 1.995 1.155 56 HD2 ARG 621 HD2 ARG 621 -12.969 1.379 -1.114 57 HD3 ARG 621 HD3 ARG 621 -13.946 1.597 0.335 58 HE ARG 621 HE ARG 621 -13.631 3.984 -1.243 59 HH11 ARG 621 HH12 ARG 621 -15.508 1.088 -0.750 60 HH12 ARG 621 HH11 ARG 621 -16.939 1.737 -1.479 61 HH21 ARG 621 HH22 ARG 621 -15.514 4.847 -2.201 62 HH22 ARG 621 HH21 ARG 621 -16.942 3.872 -2.305 63 H MET 622 HN MET 622 -10.059 6.082 0.420 64 HA MET 622 HA MET 622 -7.933 4.284 -0.279 65 HB2 MET 622 HB2 MET 622 -8.396 7.217 -0.819 66 HB3 MET 622 HB3 MET 622 -6.960 6.363 -1.366 67 HG2 MET 622 HG2 MET 622 -8.476 4.789 -2.585 68 HG3 MET 622 HG3 MET 622 -9.810 5.867 -2.175 69 HE1 MET 622 HE1 MET 622 -6.364 5.592 -4.165 70 HE2 MET 622 HE2 MET 622 -6.180 7.277 -4.648 71 HE3 MET 622 HE3 MET 622 -6.136 6.840 -2.940 72 H LYS 623 HN LYS 623 -8.608 6.202 2.341 73 HA LYS 623 HA LYS 623 -5.858 6.892 2.980 74 HB2 LYS 623 HB2 LYS 623 -7.858 8.410 3.453 75 HB3 LYS 623 HB3 LYS 623 -8.281 7.284 4.735 76 HG2 LYS 623 HG2 LYS 623 -5.549 8.491 4.635 77 HG3 LYS 623 HG3 LYS 623 -6.909 9.404 5.294 78 HD2 LYS 623 HD2 LYS 623 -7.043 8.116 7.146 79 HD3 LYS 623 HD3 LYS 623 -6.628 6.638 6.277 80 HE2 LYS 623 HE2 LYS 623 -4.901 7.253 7.903 81 HE3 LYS 623 HE3 LYS 623 -4.288 7.283 6.249 82 HZ1 LYS 623 HZ1 LYS 623 -3.542 9.203 7.514 83 HZ2 LYS 623 HZ2 LYS 623 -5.144 9.659 7.815 84 HZ3 LYS 623 HZ3 LYS 623 -4.541 9.683 6.235 85 H GLN 624 HN GLN 624 -8.510 4.925 4.254 86 HA GLN 624 HA GLN 624 -6.940 3.718 6.289 87 HB2 GLN 624 HB2 GLN 624 -9.643 3.265 5.135 88 HB3 GLN 624 HB3 GLN 624 -8.897 1.911 5.973 89 HG2 GLN 624 HG2 GLN 624 -10.071 2.908 7.667 90 HG3 GLN 624 HG3 GLN 624 -8.485 3.652 7.858 91 HE21 GLN 624 HE21 GLN 624 -10.790 4.412 5.344 92 HE22 GLN 624 HE22 GLN 624 -11.107 6.028 5.855 93 H PHE 625 HN PHE 625 -7.275 3.237 2.900 94 HA PHE 625 HA PHE 625 -6.402 0.507 2.946 95 HB2 PHE 625 HB2 PHE 625 -7.888 1.595 1.147 96 HB3 PHE 625 HB3 PHE 625 -6.385 2.252 0.501 97 HD1 PHE 625 HD1 PHE 625 -7.833 -1.009 1.608 98 HD2 PHE 625 HD2 PHE 625 -5.244 1.041 -1.065 99 HE1 PHE 625 HE1 PHE 625 -7.439 -3.109 0.386 100 HE2 PHE 625 HE2 PHE 625 -4.839 -1.049 -2.283 101 HZ PHE 625 HZ PHE 625 -5.903 -3.185 -1.453 102 H LYS 626 HN LYS 626 -4.999 3.506 1.618 103 HA LYS 626 HA LYS 626 -2.492 2.544 1.011 104 HB2 LYS 626 HB2 LYS 626 -3.432 4.841 0.518 105 HB3 LYS 626 HB3 LYS 626 -2.997 5.285 2.162 106 HG2 LYS 626 HG2 LYS 626 -0.645 4.335 1.391 107 HG3 LYS 626 HG3 LYS 626 -1.272 4.791 -0.193 108 HD2 LYS 626 HD2 LYS 626 -0.124 6.693 0.553 109 HD3 LYS 626 HD3 LYS 626 -1.822 7.050 0.871 110 HE2 LYS 626 HE2 LYS 626 -0.051 5.831 2.962 111 HE3 LYS 626 HE3 LYS 626 -0.111 7.576 2.712 112 HZ1 LYS 626 HZ1 LYS 626 -1.640 7.010 4.425 113 HZ2 LYS 626 HZ2 LYS 626 -2.355 5.797 3.489 114 HZ3 LYS 626 HZ3 LYS 626 -2.552 7.422 3.060 115 H ASP 627 HN ASP 627 -3.609 3.972 4.064 116 HA ASP 627 HA ASP 627 -1.205 3.747 5.478 117 HB2 ASP 627 HB2 ASP 627 -3.095 5.092 6.283 118 HB3 ASP 627 HB3 ASP 627 -4.043 3.630 6.531 119 H MET 628 HN MET 628 -3.952 1.512 5.188 120 HA MET 628 HA MET 628 -3.049 -0.461 6.931 121 HB2 MET 628 HB2 MET 628 -5.310 -0.439 5.998 122 HB3 MET 628 HB3 MET 628 -4.671 -0.792 4.402 123 HG2 MET 628 HG2 MET 628 -4.102 -2.658 6.652 124 HG3 MET 628 HG3 MET 628 -5.686 -2.680 5.880 125 HE1 MET 628 HE1 MET 628 -5.055 -2.000 2.873 126 HE2 MET 628 HE2 MET 628 -4.831 -3.615 2.201 127 HE3 MET 628 HE3 MET 628 -6.112 -3.319 3.375 128 H LEU 629 HN LEU 629 -2.130 0.233 3.612 129 HA LEU 629 HA LEU 629 -0.783 -2.182 3.065 130 HB2 LEU 629 HB2 LEU 629 0.247 0.436 2.035 131 HB3 LEU 629 HB3 LEU 629 0.207 -1.120 1.238 132 HG LEU 629 HG LEU 629 -2.156 0.694 1.709 133 HD11 LEU 629 HD11 LEU 629 -0.950 1.637 -0.025 134 HD12 LEU 629 HD12 LEU 629 -0.446 0.068 -0.658 135 HD13 LEU 629 HD13 LEU 629 -2.115 0.599 -0.849 136 HD21 LEU 629 HD21 LEU 629 -3.376 -0.911 0.291 137 HD22 LEU 629 HD22 LEU 629 -1.987 -1.994 0.362 138 HD23 LEU 629 HD23 LEU 629 -2.877 -1.606 1.835 139 H LEU 630 HN LEU 630 0.345 0.918 4.347 140 HA LEU 630 HA LEU 630 3.017 0.148 4.781 141 HB2 LEU 630 HB2 LEU 630 2.156 2.487 4.717 142 HB3 LEU 630 HB3 LEU 630 1.403 2.221 6.273 143 HG LEU 630 HG LEU 630 3.650 3.490 6.162 144 HD11 LEU 630 HD11 LEU 630 3.402 1.192 8.090 145 HD12 LEU 630 HD12 LEU 630 4.274 2.703 8.337 146 HD13 LEU 630 HD13 LEU 630 2.514 2.710 8.217 147 HD21 LEU 630 HD21 LEU 630 4.804 1.849 4.737 148 HD22 LEU 630 HD22 LEU 630 5.640 2.120 6.267 149 HD23 LEU 630 HD23 LEU 630 4.680 0.659 6.033 150 H GLU 631 HN GLU 631 0.098 -0.351 6.611 151 HA GLU 631 HA GLU 631 1.182 -0.890 9.131 152 HB2 GLU 631 HB2 GLU 631 -1.288 -1.998 7.793 153 HB3 GLU 631 HB3 GLU 631 -0.887 -2.274 9.482 154 HG2 GLU 631 HG2 GLU 631 -1.423 0.387 8.184 155 HG3 GLU 631 HG3 GLU 631 -2.498 -0.488 9.271 156 H ARG 632 HN ARG 632 0.337 -3.213 6.526 157 HA ARG 632 HA ARG 632 1.873 -5.263 7.937 158 HB2 ARG 632 HB2 ARG 632 0.338 -5.520 5.347 159 HB3 ARG 632 HB3 ARG 632 0.976 -6.833 6.325 160 HG2 ARG 632 HG2 ARG 632 -1.150 -6.911 7.039 161 HG3 ARG 632 HG3 ARG 632 -0.567 -5.675 8.157 162 HD2 ARG 632 HD2 ARG 632 -1.239 -4.095 6.127 163 HD3 ARG 632 HD3 ARG 632 -2.348 -5.425 5.799 164 HE ARG 632 HE ARG 632 -2.620 -3.481 7.826 165 HH11 ARG 632 HH12 ARG 632 -3.052 -6.891 7.253 166 HH12 ARG 632 HH11 ARG 632 -4.308 -7.061 8.433 167 HH21 ARG 632 HH22 ARG 632 -4.272 -3.695 9.381 168 HH22 ARG 632 HH21 ARG 632 -5.004 -5.243 9.641 169 H GLY 633 HN GLY 633 2.566 -2.806 5.980 170 HA2 GLY 633 HA1 GLY 633 4.374 -2.263 4.692 171 HA3 GLY 633 HA2 GLY 633 5.141 -3.720 5.311 172 H VAL 634 HN VAL 634 3.039 -2.423 2.824 173 HA VAL 634 HA VAL 634 3.089 -4.848 1.278 174 HB VAL 634 HB VAL 634 1.996 -2.088 0.697 175 HG11 VAL 634 HG11 VAL 634 2.027 -2.575 -1.479 176 HG12 VAL 634 HG12 VAL 634 2.605 -4.211 -1.167 177 HG13 VAL 634 HG13 VAL 634 0.875 -3.866 -1.131 178 HG21 VAL 634 HG21 VAL 634 0.756 -3.376 2.341 179 HG22 VAL 634 HG22 VAL 634 -0.169 -3.235 0.846 180 HG23 VAL 634 HG23 VAL 634 0.665 -4.743 1.228 181 H SER 635 HN SER 635 5.527 -4.505 1.747 182 HA SER 635 HA SER 635 7.561 -3.387 1.061 183 HB2 SER 635 HB2 SER 635 7.653 -5.760 0.858 184 HB3 SER 635 HB3 SER 635 6.762 -5.720 -0.661 185 HG SER 635 HG SER 635 9.423 -5.369 -0.196 186 H ALA 636 HN ALA 636 7.866 -1.518 0.117 187 HA ALA 636 HA ALA 636 6.553 -0.711 -2.268 188 HB1 ALA 636 HB1 ALA 636 8.931 0.589 -0.959 189 HB2 ALA 636 HB2 ALA 636 7.744 1.343 -2.022 190 HB3 ALA 636 HB3 ALA 636 7.266 0.798 -0.413 191 H PHE 637 HN PHE 637 8.428 -3.103 -2.302 192 HA PHE 637 HA PHE 637 9.518 -2.605 -4.897 193 HB2 PHE 637 HB2 PHE 637 11.858 -3.463 -4.005 194 HB3 PHE 637 HB3 PHE 637 11.456 -1.750 -3.998 195 HD1 PHE 637 HD1 PHE 637 11.191 -4.755 -1.799 196 HD2 PHE 637 HD2 PHE 637 11.815 -0.551 -2.074 197 HE1 PHE 637 HE1 PHE 637 11.630 -4.664 0.621 198 HE2 PHE 637 HE2 PHE 637 12.253 -0.455 0.343 199 HZ PHE 637 HZ PHE 637 12.162 -2.511 1.695 200 H SER 638 HN SER 638 7.585 -4.346 -4.144 201 HA SER 638 HA SER 638 8.860 -6.934 -4.649 202 HB2 SER 638 HB2 SER 638 7.042 -6.275 -2.354 203 HB3 SER 638 HB3 SER 638 7.053 -7.902 -3.028 204 HG SER 638 HG SER 638 9.283 -7.999 -2.587 205 H THR 639 HN THR 639 6.631 -8.541 -4.638 206 HA THR 639 HA THR 639 5.178 -7.497 -6.951 207 HB THR 639 HB THR 639 6.020 -9.604 -7.480 208 HG1 THR 639 HG1 THR 639 3.530 -10.490 -6.526 209 HG21 THR 639 HG21 THR 639 6.776 -10.350 -5.330 210 HG22 THR 639 HG22 THR 639 5.721 -11.596 -5.998 211 HG23 THR 639 HG23 THR 639 5.120 -10.507 -4.748 212 H TRP 640 HN TRP 640 3.071 -7.104 -6.978 213 HA TRP 640 HA TRP 640 1.613 -6.486 -4.758 214 HB2 TRP 640 HB2 TRP 640 0.870 -5.646 -6.828 215 HB3 TRP 640 HB3 TRP 640 0.782 -7.254 -7.540 216 HD1 TRP 640 HD1 TRP 640 -1.428 -8.610 -7.235 217 HE1 TRP 640 HE1 TRP 640 -3.759 -8.018 -6.300 218 HE3 TRP 640 HE3 TRP 640 -0.288 -4.198 -4.930 219 HZ2 TRP 640 HZ2 TRP 640 -4.945 -5.967 -4.779 220 HZ3 TRP 640 HZ3 TRP 640 -2.073 -2.989 -3.744 221 HH2 TRP 640 HH2 TRP 640 -4.355 -3.860 -3.669 222 H GLU 641 HN GLU 641 2.145 -9.670 -6.016 223 HA GLU 641 HA GLU 641 -0.199 -10.803 -4.798 224 HB2 GLU 641 HB2 GLU 641 2.244 -12.227 -5.863 225 HB3 GLU 641 HB3 GLU 641 0.686 -12.954 -5.503 226 HG2 GLU 641 HG2 GLU 641 -0.347 -11.597 -7.261 227 HG3 GLU 641 HG3 GLU 641 1.233 -10.911 -7.640 228 H LYS 642 HN LYS 642 3.266 -10.871 -4.055 229 HA LYS 642 HA LYS 642 3.046 -12.408 -1.714 230 HB2 LYS 642 HB2 LYS 642 5.012 -10.282 -2.563 231 HB3 LYS 642 HB3 LYS 642 5.144 -11.085 -1.006 232 HG2 LYS 642 HG2 LYS 642 5.340 -13.244 -2.135 233 HG3 LYS 642 HG3 LYS 642 5.213 -12.433 -3.697 234 HD2 LYS 642 HD2 LYS 642 7.258 -11.188 -3.229 235 HD3 LYS 642 HD3 LYS 642 7.376 -11.958 -1.646 236 HE2 LYS 642 HE2 LYS 642 7.620 -14.135 -2.707 237 HE3 LYS 642 HE3 LYS 642 7.449 -13.395 -4.297 238 HZ1 LYS 642 HZ1 LYS 642 9.640 -12.849 -2.366 239 HZ2 LYS 642 HZ2 LYS 642 9.477 -12.145 -3.895 240 HZ3 LYS 642 HZ3 LYS 642 9.766 -13.805 -3.756 241 H GLU 643 HN GLU 643 2.784 -8.985 -2.373 242 HA GLU 643 HA GLU 643 2.273 -8.242 0.311 243 HB2 GLU 643 HB2 GLU 643 1.536 -6.646 -2.128 244 HB3 GLU 643 HB3 GLU 643 1.896 -6.050 -0.514 245 HG2 GLU 643 HG2 GLU 643 3.796 -7.150 -2.554 246 HG3 GLU 643 HG3 GLU 643 3.778 -5.546 -1.824 247 H LEU 644 HN LEU 644 0.407 -9.544 -2.231 248 HA LEU 644 HA LEU 644 -2.142 -8.597 -1.586 249 HB2 LEU 644 HB2 LEU 644 -1.356 -10.190 -3.518 250 HB3 LEU 644 HB3 LEU 644 -1.732 -11.448 -2.368 251 HG LEU 644 HG LEU 644 -4.019 -10.297 -2.198 252 HD11 LEU 644 HD11 LEU 644 -3.533 -8.296 -3.410 253 HD12 LEU 644 HD12 LEU 644 -2.998 -9.225 -4.809 254 HD13 LEU 644 HD13 LEU 644 -4.696 -9.243 -4.337 255 HD21 LEU 644 HD21 LEU 644 -4.864 -11.648 -4.043 256 HD22 LEU 644 HD22 LEU 644 -3.225 -11.816 -4.672 257 HD23 LEU 644 HD23 LEU 644 -3.650 -12.526 -3.114 258 H HIS 645 HN HIS 645 -0.926 -11.848 -0.802 259 HA HIS 645 HA HIS 645 -2.777 -12.435 1.123 260 HB2 HIS 645 HB2 HIS 645 -1.329 -14.159 1.932 261 HB3 HIS 645 HB3 HIS 645 -1.110 -14.042 0.192 262 HD2 HIS 645 HD2 HIS 645 1.445 -13.877 -0.587 263 HE1 HIS 645 HE1 HIS 645 3.079 -12.822 3.172 264 HE2 HIS 645 HE2 HIS 645 3.595 -13.271 0.731 265 H LYS 646 HN LYS 646 0.205 -10.589 1.491 266 HA LYS 646 HA LYS 646 0.395 -10.411 4.225 267 HB2 LYS 646 HB2 LYS 646 0.919 -8.345 2.101 268 HB3 LYS 646 HB3 LYS 646 1.288 -8.064 3.796 269 HG2 LYS 646 HG2 LYS 646 2.359 -10.578 2.806 270 HG3 LYS 646 HG3 LYS 646 2.971 -9.171 1.936 271 HD2 LYS 646 HD2 LYS 646 4.431 -9.650 3.794 272 HD3 LYS 646 HD3 LYS 646 3.570 -8.143 4.109 273 HE2 LYS 646 HE2 LYS 646 2.008 -9.318 5.559 274 HE3 LYS 646 HE3 LYS 646 2.813 -10.848 5.209 275 HZ1 LYS 646 HZ1 LYS 646 4.082 -8.517 6.543 276 HZ2 LYS 646 HZ2 LYS 646 4.808 -10.017 6.256 277 HZ3 LYS 646 HZ3 LYS 646 3.510 -9.900 7.333 278 H ILE 647 HN ILE 647 -1.715 -8.515 2.103 279 HA ILE 647 HA ILE 647 -2.901 -7.245 4.469 280 HB ILE 647 HB ILE 647 -3.926 -5.676 2.865 281 HG12 ILE 647 HG12 ILE 647 -2.456 -7.444 0.921 282 HG13 ILE 647 HG13 ILE 647 -4.141 -6.943 0.884 283 HG21 ILE 647 HG21 ILE 647 -0.933 -5.952 2.561 284 HG22 ILE 647 HG22 ILE 647 -1.880 -4.476 2.378 285 HG23 ILE 647 HG23 ILE 647 -1.745 -5.246 3.958 286 HD11 ILE 647 HD11 ILE 647 -3.362 -4.632 0.424 287 HD12 ILE 647 HD12 ILE 647 -1.724 -5.273 0.289 288 HD13 ILE 647 HD13 ILE 647 -2.976 -5.804 -0.838 289 H VAL 648 HN VAL 648 -3.722 -9.564 1.995 290 HA VAL 648 HA VAL 648 -6.511 -9.210 1.987 291 HB VAL 648 HB VAL 648 -6.740 -11.305 0.938 292 HG11 VAL 648 HG11 VAL 648 -4.314 -11.176 -0.397 293 HG12 VAL 648 HG12 VAL 648 -5.831 -10.389 -0.836 294 HG13 VAL 648 HG13 VAL 648 -4.644 -9.529 0.143 295 HG21 VAL 648 HG21 VAL 648 -4.126 -12.003 2.221 296 HG22 VAL 648 HG22 VAL 648 -5.679 -12.820 2.369 297 HG23 VAL 648 HG23 VAL 648 -4.773 -12.918 0.859 298 H PHE 649 HN PHE 649 -4.363 -10.866 4.208 299 HA PHE 649 HA PHE 649 -6.252 -12.404 5.583 300 HB2 PHE 649 HB2 PHE 649 -3.626 -11.185 6.293 301 HB3 PHE 649 HB3 PHE 649 -4.643 -11.745 7.617 302 HD1 PHE 649 HD1 PHE 649 -3.419 -12.939 4.298 303 HD2 PHE 649 HD2 PHE 649 -4.354 -13.902 8.336 304 HE1 PHE 649 HE1 PHE 649 -2.626 -15.237 3.928 305 HE2 PHE 649 HE2 PHE 649 -3.563 -16.203 7.973 306 HZ PHE 649 HZ PHE 649 -2.697 -16.874 5.767 307 H ASP 650 HN ASP 650 -6.067 -9.112 5.160 308 HA ASP 650 HA ASP 650 -7.742 -8.508 7.501 309 HB2 ASP 650 HB2 ASP 650 -5.468 -7.215 6.511 310 HB3 ASP 650 HB3 ASP 650 -6.807 -6.212 5.982 311 HA PRO 651 HA PRO 651 -11.057 -7.827 4.616 312 HB2 PRO 651 HB2 PRO 651 -12.737 -6.350 6.119 313 HB3 PRO 651 HB3 PRO 651 -12.447 -8.062 6.454 314 HG2 PRO 651 HG2 PRO 651 -11.293 -5.649 7.793 315 HG3 PRO 651 HG3 PRO 651 -11.880 -7.157 8.517 316 HD2 PRO 651 HD2 PRO 651 -9.233 -6.613 8.073 317 HD3 PRO 651 HD3 PRO 651 -9.906 -8.254 8.126 318 H ARG 652 HN ARG 652 -8.952 -5.465 5.648 319 HA ARG 652 HA ARG 652 -10.238 -3.198 4.434 320 HB2 ARG 652 HB2 ARG 652 -7.348 -3.533 5.269 321 HB3 ARG 652 HB3 ARG 652 -8.150 -2.017 4.886 322 HG2 ARG 652 HG2 ARG 652 -9.715 -2.531 6.817 323 HG3 ARG 652 HG3 ARG 652 -8.566 -3.794 7.266 324 HD2 ARG 652 HD2 ARG 652 -6.827 -1.836 7.032 325 HD3 ARG 652 HD3 ARG 652 -8.247 -0.830 7.302 326 HE ARG 652 HE ARG 652 -7.603 -2.977 9.192 327 HH11 ARG 652 HH12 ARG 652 -7.984 0.412 8.480 328 HH12 ARG 652 HH11 ARG 652 -7.931 0.900 10.141 329 HH21 ARG 652 HH22 ARG 652 -7.527 -2.344 11.382 330 HH22 ARG 652 HH21 ARG 652 -7.669 -0.667 11.790 331 H TYR 653 HN TYR 653 -8.380 -5.853 3.402 332 HA TYR 653 HA TYR 653 -7.085 -4.702 1.191 333 HB2 TYR 653 HB2 TYR 653 -6.176 -6.749 1.833 334 HB3 TYR 653 HB3 TYR 653 -7.756 -7.501 2.019 335 HD1 TYR 653 HD2 TYR 653 -5.361 -6.239 -0.508 336 HD2 TYR 653 HD1 TYR 653 -8.682 -8.775 0.259 337 HE1 TYR 653 HE2 TYR 653 -5.109 -7.231 -2.736 338 HE2 TYR 653 HE1 TYR 653 -8.441 -9.777 -1.961 339 HH TYR 653 HH TYR 653 -5.689 -9.312 -3.901 340 H LEU 654 HN LEU 654 -10.297 -5.559 1.848 341 HA LEU 654 HA LEU 654 -11.042 -5.634 -0.984 342 HB2 LEU 654 HB2 LEU 654 -12.810 -6.178 1.391 343 HB3 LEU 654 HB3 LEU 654 -13.109 -6.596 -0.284 344 HG LEU 654 HG LEU 654 -10.929 -7.799 1.421 345 HD11 LEU 654 HD11 LEU 654 -13.590 -8.939 0.584 346 HD12 LEU 654 HD12 LEU 654 -12.317 -9.807 1.441 347 HD13 LEU 654 HD13 LEU 654 -13.135 -8.450 2.216 348 HD21 LEU 654 HD21 LEU 654 -10.689 -9.397 -0.395 349 HD22 LEU 654 HD22 LEU 654 -11.944 -8.564 -1.315 350 HD23 LEU 654 HD23 LEU 654 -10.414 -7.753 -0.975 351 H LEU 655 HN LEU 655 -10.244 -3.152 0.211 352 HA LEU 655 HA LEU 655 -12.666 -1.675 0.762 353 HB2 LEU 655 HB2 LEU 655 -9.758 -0.990 0.684 354 HB3 LEU 655 HB3 LEU 655 -10.957 0.285 0.703 355 HG LEU 655 HG LEU 655 -10.615 -1.846 2.816 356 HD11 LEU 655 HD11 LEU 655 -8.827 -0.197 2.849 357 HD12 LEU 655 HD12 LEU 655 -10.013 1.108 2.860 358 HD13 LEU 655 HD13 LEU 655 -9.896 0.011 4.236 359 HD21 LEU 655 HD21 LEU 655 -12.266 -0.535 4.081 360 HD22 LEU 655 HD22 LEU 655 -12.512 0.493 2.669 361 HD23 LEU 655 HD23 LEU 655 -12.943 -1.216 2.601 362 H LEU 656 HN LEU 656 -10.047 -0.736 -1.464 363 HA LEU 656 HA LEU 656 -11.874 0.702 -3.115 364 HB2 LEU 656 HB2 LEU 656 -8.959 0.038 -3.418 365 HB3 LEU 656 HB3 LEU 656 -9.846 0.889 -4.651 366 HG LEU 656 HG LEU 656 -8.670 2.506 -3.364 367 HD11 LEU 656 HD11 LEU 656 -10.481 3.901 -2.551 368 HD12 LEU 656 HD12 LEU 656 -10.928 3.110 -4.063 369 HD13 LEU 656 HD13 LEU 656 -11.564 2.510 -2.531 370 HD21 LEU 656 HD21 LEU 656 -9.986 1.324 -0.923 371 HD22 LEU 656 HD22 LEU 656 -8.281 1.185 -1.355 372 HD23 LEU 656 HD23 LEU 656 -8.965 2.763 -0.956 373 H ASN 657 HN ASN 657 -11.235 0.377 -5.639 374 HA ASN 657 HA ASN 657 -12.202 -2.319 -6.301 375 HB2 ASN 657 HB2 ASN 657 -12.293 0.059 -8.146 376 HB3 ASN 657 HB3 ASN 657 -13.315 -1.377 -8.149 377 HD21 ASN 657 HD21 ASN 657 -12.584 1.593 -6.449 378 HD22 ASN 657 HD22 ASN 657 -14.120 1.768 -5.685 379 HA PRO 658 HA PRO 658 -8.672 -3.661 -8.594 380 HB2 PRO 658 HB2 PRO 658 -9.632 -3.619 -11.239 381 HB3 PRO 658 HB3 PRO 658 -9.691 -4.982 -10.118 382 HG2 PRO 658 HG2 PRO 658 -11.779 -2.933 -10.726 383 HG3 PRO 658 HG3 PRO 658 -11.968 -4.679 -10.452 384 HD2 PRO 658 HD2 PRO 658 -12.621 -2.986 -8.539 385 HD3 PRO 658 HD3 PRO 658 -11.684 -4.440 -8.123 386 H LYS 659 HN LYS 659 -10.118 -0.636 -9.335 387 HA LYS 659 HA LYS 659 -7.855 0.176 -11.015 388 HB2 LYS 659 HB2 LYS 659 -10.430 1.624 -10.358 389 HB3 LYS 659 HB3 LYS 659 -9.181 2.221 -11.442 390 HG2 LYS 659 HG2 LYS 659 -9.556 0.329 -12.933 391 HG3 LYS 659 HG3 LYS 659 -10.797 -0.290 -11.843 392 HD2 LYS 659 HD2 LYS 659 -10.908 2.418 -13.167 393 HD3 LYS 659 HD3 LYS 659 -11.680 0.971 -13.815 394 HE2 LYS 659 HE2 LYS 659 -12.234 2.171 -11.103 395 HE3 LYS 659 HE3 LYS 659 -13.237 2.393 -12.535 396 HZ1 LYS 659 HZ1 LYS 659 -14.102 0.657 -11.088 397 HZ2 LYS 659 HZ2 LYS 659 -12.658 -0.211 -11.231 398 HZ3 LYS 659 HZ3 LYS 659 -13.643 0.019 -12.586 399 H GLU 660 HN GLU 660 -9.720 1.466 -8.270 400 HA GLU 660 HA GLU 660 -7.847 3.387 -7.495 401 HB2 GLU 660 HB2 GLU 660 -10.011 1.956 -5.963 402 HB3 GLU 660 HB3 GLU 660 -9.042 3.244 -5.258 403 HG2 GLU 660 HG2 GLU 660 -10.693 4.559 -5.995 404 HG3 GLU 660 HG3 GLU 660 -9.850 4.422 -7.530 405 H ARG 661 HN ARG 661 -7.928 -0.033 -7.005 406 HA ARG 661 HA ARG 661 -6.165 -0.120 -4.758 407 HB2 ARG 661 HB2 ARG 661 -6.700 -2.249 -6.841 408 HB3 ARG 661 HB3 ARG 661 -5.938 -2.501 -5.278 409 HG2 ARG 661 HG2 ARG 661 -8.690 -1.361 -5.441 410 HG3 ARG 661 HG3 ARG 661 -8.429 -3.098 -5.595 411 HD2 ARG 661 HD2 ARG 661 -7.140 -2.951 -3.424 412 HD3 ARG 661 HD3 ARG 661 -7.772 -1.314 -3.267 413 HE ARG 661 HE ARG 661 -9.744 -2.218 -2.586 414 HH11 ARG 661 HH12 ARG 661 -8.005 -4.628 -4.407 415 HH12 ARG 661 HH11 ARG 661 -9.201 -5.858 -4.166 416 HH21 ARG 661 HH22 ARG 661 -11.325 -3.829 -2.272 417 HH22 ARG 661 HH21 ARG 661 -11.084 -5.405 -2.949 418 H LYS 662 HN LYS 662 -5.792 0.184 -8.175 419 HA LYS 662 HA LYS 662 -3.035 -0.591 -8.286 420 HB2 LYS 662 HB2 LYS 662 -4.605 -0.771 -10.208 421 HB3 LYS 662 HB3 LYS 662 -4.659 0.981 -10.288 422 HG2 LYS 662 HG2 LYS 662 -3.154 0.219 -11.962 423 HG3 LYS 662 HG3 LYS 662 -2.199 0.974 -10.684 424 HD2 LYS 662 HD2 LYS 662 -2.657 -1.930 -10.418 425 HD3 LYS 662 HD3 LYS 662 -1.627 -1.430 -11.760 426 HE2 LYS 662 HE2 LYS 662 -0.183 -0.218 -10.227 427 HE3 LYS 662 HE3 LYS 662 -1.234 -0.636 -8.876 428 HZ1 LYS 662 HZ1 LYS 662 0.242 -2.597 -10.547 429 HZ2 LYS 662 HZ2 LYS 662 -0.699 -2.950 -9.187 430 HZ3 LYS 662 HZ3 LYS 662 0.732 -2.065 -9.017 431 H GLN 663 HN GLN 663 -4.799 2.471 -8.156 432 HA GLN 663 HA GLN 663 -2.516 4.114 -8.516 433 HB2 GLN 663 HB2 GLN 663 -3.941 5.958 -7.876 434 HB3 GLN 663 HB3 GLN 663 -4.837 4.882 -8.938 435 HG2 GLN 663 HG2 GLN 663 -5.948 3.901 -6.994 436 HG3 GLN 663 HG3 GLN 663 -5.063 5.001 -5.939 437 HE21 GLN 663 HE21 GLN 663 -7.904 4.731 -6.222 438 HE22 GLN 663 HE22 GLN 663 -8.507 6.261 -6.749 439 H VAL 664 HN VAL 664 -4.206 2.880 -5.665 440 HA VAL 664 HA VAL 664 -2.721 4.366 -3.769 441 HB VAL 664 HB VAL 664 -4.130 1.724 -3.389 442 HG11 VAL 664 HG11 VAL 664 -3.441 3.775 -1.301 443 HG12 VAL 664 HG12 VAL 664 -4.027 2.130 -1.062 444 HG13 VAL 664 HG13 VAL 664 -2.398 2.405 -1.681 445 HG21 VAL 664 HG21 VAL 664 -5.517 3.655 -4.232 446 HG22 VAL 664 HG22 VAL 664 -6.031 2.965 -2.692 447 HG23 VAL 664 HG23 VAL 664 -5.134 4.483 -2.724 448 H PHE 665 HN PHE 665 -2.345 1.063 -5.013 449 HA PHE 665 HA PHE 665 -0.086 0.434 -3.425 450 HB2 PHE 665 HB2 PHE 665 -1.348 -1.363 -4.328 451 HB3 PHE 665 HB3 PHE 665 -1.200 -0.739 -5.962 452 HD1 PHE 665 HD2 PHE 665 0.874 -2.038 -3.155 453 HD2 PHE 665 HD1 PHE 665 0.423 -1.619 -7.365 454 HE1 PHE 665 HE2 PHE 665 2.843 -3.469 -3.506 455 HE2 PHE 665 HE1 PHE 665 2.389 -3.050 -7.723 456 HZ PHE 665 HZ PHE 665 3.603 -3.977 -5.792 457 H ASP 666 HN ASP 666 -0.425 1.757 -6.700 458 HA ASP 666 HA ASP 666 2.364 1.671 -7.281 459 HB2 ASP 666 HB2 ASP 666 0.650 1.777 -9.051 460 HB3 ASP 666 HB3 ASP 666 0.198 3.392 -8.511 461 H GLN 667 HN GLN 667 0.185 4.082 -5.967 462 HA GLN 667 HA GLN 667 2.083 6.202 -5.895 463 HB2 GLN 667 HB2 GLN 667 -0.681 5.727 -4.884 464 HB3 GLN 667 HB3 GLN 667 0.257 7.006 -4.111 465 HG2 GLN 667 HG2 GLN 667 -0.141 6.818 -7.079 466 HG3 GLN 667 HG3 GLN 667 -1.233 7.693 -6.011 467 HE21 GLN 667 HE21 GLN 667 -0.523 9.584 -5.014 468 HE22 GLN 667 HE22 GLN 667 0.881 10.436 -5.553 469 H TYR 668 HN TYR 668 1.259 3.552 -3.827 470 HA TYR 668 HA TYR 668 2.460 4.617 -1.451 471 HB2 TYR 668 HB2 TYR 668 0.742 2.997 -1.124 472 HB3 TYR 668 HB3 TYR 668 1.486 1.881 -2.266 473 HD1 TYR 668 HD2 TYR 668 1.712 3.288 1.132 474 HD2 TYR 668 HD1 TYR 668 3.241 0.414 -1.604 475 HE1 TYR 668 HE2 TYR 668 2.884 2.165 2.974 476 HE2 TYR 668 HE1 TYR 668 4.415 -0.714 0.225 477 HH TYR 668 HH TYR 668 3.780 -0.109 3.478 478 H VAL 669 HN VAL 669 3.282 1.889 -3.573 479 HA VAL 669 HA VAL 669 5.793 1.338 -2.600 480 HB VAL 669 HB VAL 669 6.300 0.315 -4.739 481 HG11 VAL 669 HG11 VAL 669 4.858 -0.952 -3.324 482 HG12 VAL 669 HG12 VAL 669 3.446 -0.034 -3.850 483 HG13 VAL 669 HG13 VAL 669 4.268 -1.113 -4.979 484 HG21 VAL 669 HG21 VAL 669 3.823 1.677 -5.790 485 HG22 VAL 669 HG22 VAL 669 5.481 2.150 -6.169 486 HG23 VAL 669 HG23 VAL 669 4.873 0.573 -6.680 487 H LYS 670 HN LYS 670 4.776 3.852 -4.789 488 HA LYS 670 HA LYS 670 7.347 4.552 -5.727 489 HB2 LYS 670 HB2 LYS 670 5.145 5.116 -6.806 490 HB3 LYS 670 HB3 LYS 670 4.930 6.345 -5.569 491 HG2 LYS 670 HG2 LYS 670 7.203 7.228 -6.351 492 HG3 LYS 670 HG3 LYS 670 6.931 6.238 -7.783 493 HD2 LYS 670 HD2 LYS 670 4.910 8.226 -6.778 494 HD3 LYS 670 HD3 LYS 670 6.177 8.656 -7.925 495 HE2 LYS 670 HE2 LYS 670 5.357 6.979 -9.487 496 HE3 LYS 670 HE3 LYS 670 4.123 6.485 -8.330 497 HZ1 LYS 670 HZ1 LYS 670 3.120 8.661 -8.497 498 HZ2 LYS 670 HZ2 LYS 670 3.245 7.972 -10.036 499 HZ3 LYS 670 HZ3 LYS 670 4.329 9.181 -9.560 500 H THR 671 HN THR 671 5.232 6.517 -3.610 501 HA THR 671 HA THR 671 7.346 8.193 -2.770 502 HB THR 671 HB THR 671 5.014 8.914 -2.649 503 HG1 THR 671 HG1 THR 671 5.594 9.049 0.029 504 HG21 THR 671 HG21 THR 671 4.188 6.638 -1.840 505 HG22 THR 671 HG22 THR 671 3.443 8.062 -1.116 506 HG23 THR 671 HG23 THR 671 4.672 7.161 -0.228 507 H ARG 672 HN ARG 672 5.826 5.410 -1.159 508 HA ARG 672 HA ARG 672 7.171 5.559 1.264 509 HB2 ARG 672 HB2 ARG 672 5.275 4.029 0.782 510 HB3 ARG 672 HB3 ARG 672 6.359 3.031 -0.177 511 HG2 ARG 672 HG2 ARG 672 6.104 2.031 1.978 512 HG3 ARG 672 HG3 ARG 672 7.742 2.673 1.850 513 HD2 ARG 672 HD2 ARG 672 6.766 3.168 4.033 514 HD3 ARG 672 HD3 ARG 672 7.080 4.645 3.122 515 HE ARG 672 HE ARG 672 4.391 3.546 2.965 516 HH11 ARG 672 HH12 ARG 672 6.554 5.891 4.361 517 HH12 ARG 672 HH11 ARG 672 5.281 6.939 4.893 518 HH21 ARG 672 HH22 ARG 672 2.709 4.918 3.658 519 HH22 ARG 672 HH21 ARG 672 3.095 6.385 4.494 520 H ALA 673 HN ALA 673 8.094 3.655 -1.621 521 HA ALA 673 HA ALA 673 10.434 2.550 -0.676 522 HB1 ALA 673 HB1 ALA 673 9.939 3.567 -3.472 523 HB2 ALA 673 HB2 ALA 673 11.179 2.406 -2.995 524 HB3 ALA 673 HB3 ALA 673 9.473 1.984 -2.849 525 H GLU 674 HN GLU 674 10.084 5.672 -2.360 526 HA GLU 674 HA GLU 674 12.713 6.487 -2.366 527 HB2 GLU 674 HB2 GLU 674 10.204 8.125 -1.993 528 HB3 GLU 674 HB3 GLU 674 11.788 8.830 -2.279 529 HG2 GLU 674 HG2 GLU 674 10.306 6.982 -4.134 530 HG3 GLU 674 HG3 GLU 674 10.500 8.723 -4.327 531 H GLU 675 HN GLU 675 10.380 6.676 0.279 532 HA GLU 675 HA GLU 675 12.108 8.176 1.999 533 HB2 GLU 675 HB2 GLU 675 9.657 6.555 2.698 534 HB3 GLU 675 HB3 GLU 675 10.431 7.754 3.722 535 HG2 GLU 675 HG2 GLU 675 9.120 8.298 1.070 536 HG3 GLU 675 HG3 GLU 675 8.422 8.626 2.654 537 H GLU 676 HN GLU 676 10.846 4.852 2.343 538 HA GLU 676 HA GLU 676 12.567 4.101 4.404 539 HB2 GLU 676 HB2 GLU 676 11.908 1.814 3.929 540 HB3 GLU 676 HB3 GLU 676 10.523 2.877 3.814 541 HG2 GLU 676 HG2 GLU 676 10.655 2.854 1.406 542 HG3 GLU 676 HG3 GLU 676 12.087 1.841 1.496 543 H ARG 677 HN ARG 677 13.375 4.695 1.184 544 HA ARG 677 HA ARG 677 15.638 2.836 1.237 545 HB2 ARG 677 HB2 ARG 677 14.227 2.985 -0.812 546 HB3 ARG 677 HB3 ARG 677 14.741 4.653 -1.006 547 HG2 ARG 677 HG2 ARG 677 16.856 2.591 -0.782 548 HG3 ARG 677 HG3 ARG 677 15.912 2.643 -2.272 549 HD2 ARG 677 HD2 ARG 677 16.493 4.981 -2.584 550 HD3 ARG 677 HD3 ARG 677 17.376 4.985 -1.058 551 HE ARG 677 HE ARG 677 18.552 2.999 -2.500 552 HH11 ARG 677 HH12 ARG 677 17.897 6.371 -3.088 553 HH12 ARG 677 HH11 ARG 677 19.287 6.597 -4.097 554 HH21 ARG 677 HH22 ARG 677 20.383 3.288 -3.824 555 HH22 ARG 677 HH21 ARG 677 20.700 4.845 -4.515 556 H ARG 678 HN ARG 678 14.888 6.269 1.267 557 HA ARG 678 HA ARG 678 17.649 7.072 1.058 558 HB2 ARG 678 HB2 ARG 678 16.842 9.325 1.326 559 HB3 ARG 678 HB3 ARG 678 15.773 8.476 0.218 560 HG2 ARG 678 HG2 ARG 678 14.098 8.241 1.901 561 HG3 ARG 678 HG3 ARG 678 15.192 8.842 3.148 562 HD2 ARG 678 HD2 ARG 678 15.279 11.013 1.970 563 HD3 ARG 678 HD3 ARG 678 14.108 10.401 0.804 564 HE ARG 678 HE ARG 678 12.786 10.038 3.080 565 HH11 ARG 678 HH12 ARG 678 14.617 12.779 1.948 566 HH12 ARG 678 HH11 ARG 678 13.655 13.937 2.804 567 HH21 ARG 678 HH22 ARG 678 11.514 11.557 4.211 568 HH22 ARG 678 HH21 ARG 678 11.893 13.243 4.091 569 H GLU 679 HN GLU 679 15.677 5.940 3.564 570 HA GLU 679 HA GLU 679 17.035 7.418 5.664 571 HB2 GLU 679 HB2 GLU 679 14.904 5.283 5.758 572 HB3 GLU 679 HB3 GLU 679 15.585 6.056 7.183 573 HG2 GLU 679 HG2 GLU 679 14.792 8.229 6.363 574 HG3 GLU 679 HG3 GLU 679 14.069 7.423 4.972 575 H LYS 680 HN LYS 680 17.669 4.651 3.879 576 HA LYS 680 HA LYS 680 19.452 3.665 5.996 577 HB2 LYS 680 HB2 LYS 680 19.131 1.377 4.887 578 HB3 LYS 680 HB3 LYS 680 17.854 1.989 5.931 579 HG2 LYS 680 HG2 LYS 680 16.590 2.709 3.989 580 HG3 LYS 680 HG3 LYS 680 17.878 2.136 2.929 581 HD2 LYS 680 HD2 LYS 680 16.136 0.502 3.004 582 HD3 LYS 680 HD3 LYS 680 17.547 -0.142 3.830 583 HE2 LYS 680 HE2 LYS 680 16.535 0.475 5.986 584 HE3 LYS 680 HE3 LYS 680 15.111 1.070 5.135 585 HZ1 LYS 680 HZ1 LYS 680 14.723 -1.162 4.297 586 HZ2 LYS 680 HZ2 LYS 680 14.769 -1.165 5.988 587 HZ3 LYS 680 HZ3 LYS 680 16.096 -1.733 5.105 588 H LYS 681 HN LYS 681 18.898 3.263 2.493 589 HA LYS 681 HA LYS 681 20.323 3.207 0.725 590 HB2 LYS 681 HB2 LYS 681 21.952 4.997 2.533 591 HB3 LYS 681 HB3 LYS 681 22.322 4.704 0.841 592 HG2 LYS 681 HG2 LYS 681 20.145 5.663 0.219 593 HG3 LYS 681 HG3 LYS 681 19.830 6.001 1.922 594 HD2 LYS 681 HD2 LYS 681 21.760 7.471 2.014 595 HD3 LYS 681 HD3 LYS 681 22.158 7.086 0.339 596 HE2 LYS 681 HE2 LYS 681 20.007 8.055 -0.368 597 HE3 LYS 681 HE3 LYS 681 19.667 8.485 1.308 598 HZ1 LYS 681 HZ1 LYS 681 20.556 10.356 0.056 599 HZ2 LYS 681 HZ2 LYS 681 21.963 9.484 -0.292 600 HZ3 LYS 681 HZ3 LYS 681 21.607 9.915 1.305 601 H ASN 682 HN ASN 682 22.910 2.917 0.270 602 HA ASN 682 HA ASN 682 23.478 0.311 1.308 603 HB2 ASN 682 HB2 ASN 682 24.053 0.841 -0.991 604 HB3 ASN 682 HB3 ASN 682 25.108 2.148 -0.460 605 HD21 ASN 682 HD21 ASN 682 24.697 -1.300 -0.678 606 HD22 ASN 682 HD22 ASN 682 26.345 -1.719 -0.377 607 H LYS 683 HN LYS 683 24.997 3.502 1.636 608 HA LYS 683 HA LYS 683 27.100 2.700 3.324 609 HB2 LYS 683 HB2 LYS 683 25.738 5.394 3.123 610 HB3 LYS 683 HB3 LYS 683 27.292 5.093 3.890 611 HG2 LYS 683 HG2 LYS 683 28.255 4.443 1.772 612 HG3 LYS 683 HG3 LYS 683 26.688 4.616 0.978 613 HD2 LYS 683 HD2 LYS 683 26.680 7.002 1.509 614 HD3 LYS 683 HD3 LYS 683 28.240 6.832 2.317 615 HE2 LYS 683 HE2 LYS 683 28.472 7.730 0.044 616 HE3 LYS 683 HE3 LYS 683 29.279 6.173 0.225 617 HZ1 LYS 683 HZ1 LYS 683 26.596 6.581 -0.981 618 HZ2 LYS 683 HZ2 LYS 683 27.409 5.104 -0.846 619 HZ3 LYS 683 HZ3 LYS 683 28.027 6.321 -1.846 Start of MODEL 5 1 H1 GLY 613 H1 GLY 613 -15.674 14.528 0.340 2 H2 GLY 613 H2 GLY 613 -16.021 15.752 -0.775 3 H3 GLY 613 H3 GLY 613 -15.117 16.103 0.610 4 HA2 GLY 613 HA2 GLY 613 -14.275 14.355 -1.637 5 HA3 GLY 613 HA1 GLY 613 -13.672 15.972 -1.309 6 H ALA 614 HN ALA 614 -12.104 16.275 0.220 7 HA ALA 614 HA ALA 614 -10.465 14.075 0.877 8 HB1 ALA 614 HB1 ALA 614 -9.602 16.351 0.596 9 HB2 ALA 614 HB2 ALA 614 -10.447 16.848 2.062 10 HB3 ALA 614 HB3 ALA 614 -9.141 15.667 2.155 11 H MET 615 HN MET 615 -10.373 12.780 2.612 12 HA MET 615 HA MET 615 -10.998 11.723 4.527 13 HB2 MET 615 HB2 MET 615 -11.512 14.532 5.524 14 HB3 MET 615 HB3 MET 615 -11.265 13.103 6.518 15 HG2 MET 615 HG2 MET 615 -8.984 12.904 5.666 16 HG3 MET 615 HG3 MET 615 -9.234 14.338 4.672 17 HE1 MET 615 HE1 MET 615 -10.464 13.681 8.397 18 HE2 MET 615 HE2 MET 615 -8.894 12.891 8.258 19 HE3 MET 615 HE3 MET 615 -9.077 14.315 9.281 20 H GLY 616 HN GLY 616 -12.997 12.008 2.532 21 HA2 GLY 616 HA1 GLY 616 -15.454 12.452 4.089 22 HA3 GLY 616 HA2 GLY 616 -15.350 12.422 2.336 23 H SER 617 HN SER 617 -15.987 10.628 1.344 24 HA SER 617 HA SER 617 -16.373 8.215 2.977 25 HB2 SER 617 HB2 SER 617 -18.410 9.113 1.941 26 HB3 SER 617 HB3 SER 617 -17.659 8.999 0.349 27 HG SER 617 HG SER 617 -18.289 7.007 0.301 28 H LEU 618 HN LEU 618 -15.579 9.045 -0.407 29 HA LEU 618 HA LEU 618 -14.414 6.522 -0.962 30 HB2 LEU 618 HB2 LEU 618 -15.289 7.887 -2.749 31 HB3 LEU 618 HB3 LEU 618 -14.164 9.177 -2.368 32 HG LEU 618 HG LEU 618 -12.287 7.671 -3.009 33 HD11 LEU 618 HD11 LEU 618 -12.764 5.637 -4.249 34 HD12 LEU 618 HD12 LEU 618 -13.422 5.537 -2.615 35 HD13 LEU 618 HD13 LEU 618 -14.493 5.859 -3.980 36 HD21 LEU 618 HD21 LEU 618 -12.633 7.871 -5.396 37 HD22 LEU 618 HD22 LEU 618 -14.368 8.073 -5.152 38 HD23 LEU 618 HD23 LEU 618 -13.246 9.305 -4.574 39 H GLU 619 HN GLU 619 -12.976 9.709 -0.275 40 HA GLU 619 HA GLU 619 -10.300 9.027 -0.497 41 HB2 GLU 619 HB2 GLU 619 -11.407 11.321 -0.026 42 HB3 GLU 619 HB3 GLU 619 -11.289 10.870 1.668 43 HG2 GLU 619 HG2 GLU 619 -8.964 11.031 -0.237 44 HG3 GLU 619 HG3 GLU 619 -9.434 12.296 0.897 45 H ALA 620 HN ALA 620 -12.455 8.750 2.299 46 HA ALA 620 HA ALA 620 -10.650 7.859 4.196 47 HB1 ALA 620 HB1 ALA 620 -12.980 8.454 4.698 48 HB2 ALA 620 HB2 ALA 620 -13.523 6.991 3.873 49 HB3 ALA 620 HB3 ALA 620 -12.555 6.868 5.342 50 H ARG 621 HN ARG 621 -12.380 6.077 1.683 51 HA ARG 621 HA ARG 621 -11.646 3.486 2.465 52 HB2 ARG 621 HB2 ARG 621 -13.311 4.342 0.629 53 HB3 ARG 621 HB3 ARG 621 -11.905 4.256 -0.421 54 HG2 ARG 621 HG2 ARG 621 -11.657 1.900 0.044 55 HG3 ARG 621 HG3 ARG 621 -13.000 1.960 1.186 56 HD2 ARG 621 HD2 ARG 621 -13.020 1.742 -1.716 57 HD3 ARG 621 HD3 ARG 621 -14.279 1.358 -0.545 58 HE ARG 621 HE ARG 621 -13.802 4.150 -1.313 59 HH11 ARG 621 HH12 ARG 621 -15.872 1.348 -1.213 60 HH12 ARG 621 HH11 ARG 621 -17.289 2.219 -1.695 61 HH21 ARG 621 HH22 ARG 621 -15.663 5.303 -1.949 62 HH22 ARG 621 HH21 ARG 621 -17.171 4.466 -2.113 63 H MET 622 HN MET 622 -10.107 5.854 0.344 64 HA MET 622 HA MET 622 -7.870 4.198 -0.275 65 HB2 MET 622 HB2 MET 622 -8.335 7.165 -0.575 66 HB3 MET 622 HB3 MET 622 -6.876 6.354 -1.125 67 HG2 MET 622 HG2 MET 622 -8.314 4.915 -2.566 68 HG3 MET 622 HG3 MET 622 -9.681 5.934 -2.115 69 HE1 MET 622 HE1 MET 622 -6.189 5.844 -4.025 70 HE2 MET 622 HE2 MET 622 -5.958 7.574 -4.281 71 HE3 MET 622 HE3 MET 622 -5.977 6.918 -2.642 72 H LYS 623 HN LYS 623 -8.811 5.715 2.479 73 HA LYS 623 HA LYS 623 -6.156 6.472 3.407 74 HB2 LYS 623 HB2 LYS 623 -8.676 7.480 3.930 75 HB3 LYS 623 HB3 LYS 623 -8.331 6.529 5.367 76 HG2 LYS 623 HG2 LYS 623 -6.416 8.576 4.288 77 HG3 LYS 623 HG3 LYS 623 -7.694 8.974 5.437 78 HD2 LYS 623 HD2 LYS 623 -6.033 8.550 6.927 79 HD3 LYS 623 HD3 LYS 623 -6.616 6.898 6.723 80 HE2 LYS 623 HE2 LYS 623 -4.883 6.469 5.073 81 HE3 LYS 623 HE3 LYS 623 -4.326 8.137 5.198 82 HZ1 LYS 623 HZ1 LYS 623 -4.311 6.167 7.421 83 HZ2 LYS 623 HZ2 LYS 623 -3.709 7.747 7.481 84 HZ3 LYS 623 HZ3 LYS 623 -2.962 6.596 6.493 85 H GLN 624 HN GLN 624 -8.823 4.318 4.338 86 HA GLN 624 HA GLN 624 -7.425 2.923 6.334 87 HB2 GLN 624 HB2 GLN 624 -9.867 2.407 4.716 88 HB3 GLN 624 HB3 GLN 624 -9.119 1.022 5.499 89 HG2 GLN 624 HG2 GLN 624 -10.655 1.709 7.068 90 HG3 GLN 624 HG3 GLN 624 -9.175 2.490 7.623 91 HE21 GLN 624 HE21 GLN 624 -11.113 3.491 4.887 92 HE22 GLN 624 HE22 GLN 624 -11.611 5.006 5.551 93 H PHE 625 HN PHE 625 -7.395 2.725 2.859 94 HA PHE 625 HA PHE 625 -6.088 0.171 2.763 95 HB2 PHE 625 HB2 PHE 625 -7.510 1.590 0.935 96 HB3 PHE 625 HB3 PHE 625 -5.865 1.960 0.426 97 HD1 PHE 625 HD1 PHE 625 -8.339 -0.713 0.890 98 HD2 PHE 625 HD2 PHE 625 -4.463 0.298 -0.534 99 HE1 PHE 625 HE1 PHE 625 -8.209 -2.874 -0.279 100 HE2 PHE 625 HE2 PHE 625 -4.321 -1.858 -1.704 101 HZ PHE 625 HZ PHE 625 -6.229 -3.470 -1.543 102 H LYS 626 HN LYS 626 -5.106 3.546 2.212 103 HA LYS 626 HA LYS 626 -2.421 3.084 1.677 104 HB2 LYS 626 HB2 LYS 626 -3.785 5.297 1.645 105 HB3 LYS 626 HB3 LYS 626 -3.305 5.433 3.332 106 HG2 LYS 626 HG2 LYS 626 -1.421 6.379 2.657 107 HG3 LYS 626 HG3 LYS 626 -0.958 4.841 1.923 108 HD2 LYS 626 HD2 LYS 626 -2.651 6.915 0.537 109 HD3 LYS 626 HD3 LYS 626 -0.897 6.811 0.373 110 HE2 LYS 626 HE2 LYS 626 -1.055 4.616 -0.580 111 HE3 LYS 626 HE3 LYS 626 -2.786 4.547 -0.253 112 HZ1 LYS 626 HZ1 LYS 626 -2.354 5.061 -2.569 113 HZ2 LYS 626 HZ2 LYS 626 -1.447 6.419 -2.132 114 HZ3 LYS 626 HZ3 LYS 626 -3.106 6.374 -1.813 115 H ASP 627 HN ASP 627 -4.222 3.033 4.639 116 HA ASP 627 HA ASP 627 -2.062 3.148 6.468 117 HB2 ASP 627 HB2 ASP 627 -4.345 3.623 7.180 118 HB3 ASP 627 HB3 ASP 627 -4.836 1.980 6.778 119 H MET 628 HN MET 628 -4.066 0.364 5.449 120 HA MET 628 HA MET 628 -2.636 -1.663 6.647 121 HB2 MET 628 HB2 MET 628 -3.360 -2.543 4.011 122 HB3 MET 628 HB3 MET 628 -4.100 -2.966 5.546 123 HG2 MET 628 HG2 MET 628 -5.516 -1.001 5.367 124 HG3 MET 628 HG3 MET 628 -4.723 -0.592 3.848 125 HE1 MET 628 HE1 MET 628 -4.335 -3.519 2.606 126 HE2 MET 628 HE2 MET 628 -5.775 -3.656 1.597 127 HE3 MET 628 HE3 MET 628 -4.872 -2.142 1.644 128 H LEU 629 HN LEU 629 -1.975 0.021 3.641 129 HA LEU 629 HA LEU 629 0.087 -1.620 2.715 130 HB2 LEU 629 HB2 LEU 629 -0.869 1.126 2.186 131 HB3 LEU 629 HB3 LEU 629 0.770 0.762 1.691 132 HG LEU 629 HG LEU 629 0.010 -1.000 0.229 133 HD11 LEU 629 HD11 LEU 629 -2.322 -1.572 -0.042 134 HD12 LEU 629 HD12 LEU 629 -1.843 -1.817 1.638 135 HD13 LEU 629 HD13 LEU 629 -2.784 -0.395 1.185 136 HD21 LEU 629 HD21 LEU 629 -0.036 1.286 -0.635 137 HD22 LEU 629 HD22 LEU 629 -1.300 0.294 -1.358 138 HD23 LEU 629 HD23 LEU 629 -1.706 1.455 -0.094 139 H LEU 630 HN LEU 630 0.103 1.170 4.877 140 HA LEU 630 HA LEU 630 2.996 1.018 5.166 141 HB2 LEU 630 HB2 LEU 630 1.750 3.182 4.990 142 HB3 LEU 630 HB3 LEU 630 1.069 2.848 6.570 143 HG LEU 630 HG LEU 630 3.052 3.273 7.674 144 HD11 LEU 630 HD11 LEU 630 5.277 3.274 6.591 145 HD12 LEU 630 HD12 LEU 630 4.484 1.701 6.517 146 HD13 LEU 630 HD13 LEU 630 4.519 2.740 5.091 147 HD21 LEU 630 HD21 LEU 630 2.256 5.307 6.648 148 HD22 LEU 630 HD22 LEU 630 4.019 5.305 6.690 149 HD23 LEU 630 HD23 LEU 630 3.172 4.949 5.185 150 H GLU 631 HN GLU 631 0.496 -0.664 6.432 151 HA GLU 631 HA GLU 631 1.558 -0.746 9.160 152 HB2 GLU 631 HB2 GLU 631 -1.006 -0.635 8.360 153 HB3 GLU 631 HB3 GLU 631 -0.801 -2.380 8.431 154 HG2 GLU 631 HG2 GLU 631 -0.004 -2.151 10.757 155 HG3 GLU 631 HG3 GLU 631 -0.342 -0.424 10.664 156 H ARG 632 HN ARG 632 0.324 -3.198 6.843 157 HA ARG 632 HA ARG 632 1.894 -5.259 8.091 158 HB2 ARG 632 HB2 ARG 632 0.447 -5.321 5.434 159 HB3 ARG 632 HB3 ARG 632 1.045 -6.713 6.317 160 HG2 ARG 632 HG2 ARG 632 -1.239 -6.672 6.705 161 HG3 ARG 632 HG3 ARG 632 -0.516 -6.031 8.181 162 HD2 ARG 632 HD2 ARG 632 -1.245 -3.899 7.780 163 HD3 ARG 632 HD3 ARG 632 -1.290 -4.125 6.032 164 HE ARG 632 HE ARG 632 -3.298 -5.622 6.588 165 HH11 ARG 632 HH12 ARG 632 -2.395 -2.778 8.386 166 HH12 ARG 632 HH11 ARG 632 -4.010 -2.442 8.914 167 HH21 ARG 632 HH22 ARG 632 -5.423 -5.184 7.276 168 HH22 ARG 632 HH21 ARG 632 -5.728 -3.812 8.286 169 H GLY 633 HN GLY 633 2.436 -2.852 5.814 170 HA2 GLY 633 HA1 GLY 633 4.392 -2.266 4.744 171 HA3 GLY 633 HA2 GLY 633 5.125 -3.752 5.341 172 H VAL 634 HN VAL 634 3.039 -2.378 2.889 173 HA VAL 634 HA VAL 634 3.050 -4.744 1.264 174 HB VAL 634 HB VAL 634 2.029 -1.930 0.812 175 HG11 VAL 634 HG11 VAL 634 2.268 -2.317 -1.387 176 HG12 VAL 634 HG12 VAL 634 2.512 -4.045 -1.155 177 HG13 VAL 634 HG13 VAL 634 0.879 -3.383 -1.178 178 HG21 VAL 634 HG21 VAL 634 0.627 -4.582 1.119 179 HG22 VAL 634 HG22 VAL 634 0.732 -3.312 2.338 180 HG23 VAL 634 HG23 VAL 634 -0.160 -3.028 0.843 181 H SER 635 HN SER 635 5.452 -4.615 1.680 182 HA SER 635 HA SER 635 7.532 -3.452 1.091 183 HB2 SER 635 HB2 SER 635 7.577 -5.826 0.869 184 HB3 SER 635 HB3 SER 635 6.700 -5.751 -0.658 185 HG SER 635 HG SER 635 9.341 -5.595 -0.229 186 H ALA 636 HN ALA 636 7.772 -1.539 0.207 187 HA ALA 636 HA ALA 636 6.499 -0.537 -2.049 188 HB1 ALA 636 HB1 ALA 636 9.190 0.332 -1.025 189 HB2 ALA 636 HB2 ALA 636 7.999 1.303 -1.891 190 HB3 ALA 636 HB3 ALA 636 7.661 0.747 -0.249 191 H PHE 637 HN PHE 637 8.739 -2.984 -1.979 192 HA PHE 637 HA PHE 637 9.240 -2.688 -4.836 193 HB2 PHE 637 HB2 PHE 637 11.663 -3.592 -4.210 194 HB3 PHE 637 HB3 PHE 637 11.304 -1.871 -4.273 195 HD1 PHE 637 HD1 PHE 637 11.671 -4.759 -1.982 196 HD2 PHE 637 HD2 PHE 637 11.508 -0.520 -2.362 197 HE1 PHE 637 HE1 PHE 637 12.408 -4.524 0.351 198 HE2 PHE 637 HE2 PHE 637 12.246 -0.281 -0.028 199 HZ PHE 637 HZ PHE 637 12.695 -2.283 1.332 200 H SER 638 HN SER 638 7.443 -4.357 -4.412 201 HA SER 638 HA SER 638 8.622 -6.980 -4.730 202 HB2 SER 638 HB2 SER 638 6.848 -6.295 -2.397 203 HB3 SER 638 HB3 SER 638 6.944 -7.939 -3.022 204 HG SER 638 HG SER 638 9.243 -6.460 -2.306 205 H THR 639 HN THR 639 6.515 -8.614 -4.809 206 HA THR 639 HA THR 639 4.971 -7.530 -7.022 207 HB THR 639 HB THR 639 5.772 -9.663 -7.537 208 HG1 THR 639 HG1 THR 639 3.846 -10.927 -7.648 209 HG21 THR 639 HG21 THR 639 5.392 -11.637 -6.038 210 HG22 THR 639 HG22 THR 639 4.860 -10.508 -4.793 211 HG23 THR 639 HG23 THR 639 6.512 -10.434 -5.401 212 H TRP 640 HN TRP 640 2.845 -7.157 -7.038 213 HA TRP 640 HA TRP 640 1.485 -6.470 -4.749 214 HB2 TRP 640 HB2 TRP 640 0.708 -5.540 -6.751 215 HB3 TRP 640 HB3 TRP 640 0.568 -7.108 -7.535 216 HD1 TRP 640 HD1 TRP 640 -1.659 -8.450 -7.206 217 HE1 TRP 640 HE1 TRP 640 -3.958 -7.837 -6.208 218 HE3 TRP 640 HE3 TRP 640 -0.389 -4.112 -4.820 219 HZ2 TRP 640 HZ2 TRP 640 -5.073 -5.803 -4.613 220 HZ3 TRP 640 HZ3 TRP 640 -2.127 -2.900 -3.570 221 HH2 TRP 640 HH2 TRP 640 -4.422 -3.734 -3.468 222 H GLU 641 HN GLU 641 1.934 -9.653 -5.992 223 HA GLU 641 HA GLU 641 -0.428 -10.732 -4.747 224 HB2 GLU 641 HB2 GLU 641 1.988 -12.104 -5.933 225 HB3 GLU 641 HB3 GLU 641 0.568 -12.948 -5.333 226 HG2 GLU 641 HG2 GLU 641 0.590 -10.955 -7.590 227 HG3 GLU 641 HG3 GLU 641 0.559 -12.708 -7.769 228 H LYS 642 HN LYS 642 3.031 -10.744 -4.022 229 HA LYS 642 HA LYS 642 2.834 -12.247 -1.646 230 HB2 LYS 642 HB2 LYS 642 4.803 -10.170 -2.598 231 HB3 LYS 642 HB3 LYS 642 4.946 -10.897 -1.004 232 HG2 LYS 642 HG2 LYS 642 5.198 -13.088 -1.974 233 HG3 LYS 642 HG3 LYS 642 4.916 -12.439 -3.590 234 HD2 LYS 642 HD2 LYS 642 7.293 -12.794 -3.215 235 HD3 LYS 642 HD3 LYS 642 6.943 -11.074 -3.385 236 HE2 LYS 642 HE2 LYS 642 6.993 -10.822 -0.953 237 HE3 LYS 642 HE3 LYS 642 7.328 -12.544 -0.779 238 HZ1 LYS 642 HZ1 LYS 642 9.086 -10.601 -2.179 239 HZ2 LYS 642 HZ2 LYS 642 9.413 -12.241 -1.929 240 HZ3 LYS 642 HZ3 LYS 642 9.336 -11.184 -0.610 241 H GLU 643 HN GLU 643 2.568 -8.866 -2.427 242 HA GLU 643 HA GLU 643 2.120 -7.970 0.217 243 HB2 GLU 643 HB2 GLU 643 1.353 -6.566 -2.336 244 HB3 GLU 643 HB3 GLU 643 1.681 -5.835 -0.769 245 HG2 GLU 643 HG2 GLU 643 3.987 -6.224 -0.939 246 HG3 GLU 643 HG3 GLU 643 3.777 -7.394 -2.239 247 H LEU 644 HN LEU 644 0.203 -9.388 -2.219 248 HA LEU 644 HA LEU 644 -2.350 -8.453 -1.587 249 HB2 LEU 644 HB2 LEU 644 -1.503 -10.140 -3.437 250 HB3 LEU 644 HB3 LEU 644 -1.925 -11.322 -2.221 251 HG LEU 644 HG LEU 644 -4.193 -10.052 -2.187 252 HD11 LEU 644 HD11 LEU 644 -4.736 -9.403 -4.582 253 HD12 LEU 644 HD12 LEU 644 -3.756 -8.272 -3.650 254 HD13 LEU 644 HD13 LEU 644 -2.993 -9.331 -4.835 255 HD21 LEU 644 HD21 LEU 644 -3.937 -12.395 -2.738 256 HD22 LEU 644 HD22 LEU 644 -5.038 -11.623 -3.880 257 HD23 LEU 644 HD23 LEU 644 -3.377 -11.975 -4.356 258 H HIS 645 HN HIS 645 -1.053 -11.631 -0.678 259 HA HIS 645 HA HIS 645 -2.928 -12.184 1.266 260 HB2 HIS 645 HB2 HIS 645 -1.413 -13.884 2.110 261 HB3 HIS 645 HB3 HIS 645 -1.378 -13.863 0.352 262 HD2 HIS 645 HD2 HIS 645 1.078 -13.689 -0.723 263 HE1 HIS 645 HE1 HIS 645 3.110 -12.557 2.811 264 HE2 HIS 645 HE2 HIS 645 3.380 -13.387 0.432 265 H LYS 646 HN LYS 646 0.091 -10.364 1.581 266 HA LYS 646 HA LYS 646 0.269 -10.253 4.330 267 HB2 LYS 646 HB2 LYS 646 0.980 -8.234 2.227 268 HB3 LYS 646 HB3 LYS 646 1.261 -7.914 3.935 269 HG2 LYS 646 HG2 LYS 646 2.498 -10.169 3.936 270 HG3 LYS 646 HG3 LYS 646 2.506 -9.997 2.183 271 HD2 LYS 646 HD2 LYS 646 3.520 -7.836 4.010 272 HD3 LYS 646 HD3 LYS 646 4.551 -9.150 3.443 273 HE2 LYS 646 HE2 LYS 646 3.768 -8.473 1.092 274 HE3 LYS 646 HE3 LYS 646 3.223 -6.980 1.856 275 HZ1 LYS 646 HZ1 LYS 646 5.410 -6.644 1.011 276 HZ2 LYS 646 HZ2 LYS 646 5.995 -8.035 1.775 277 HZ3 LYS 646 HZ3 LYS 646 5.522 -6.700 2.698 278 H ILE 647 HN ILE 647 -1.776 -8.251 2.230 279 HA ILE 647 HA ILE 647 -2.980 -7.030 4.638 280 HB ILE 647 HB ILE 647 -4.086 -5.500 2.990 281 HG12 ILE 647 HG12 ILE 647 -2.361 -7.124 1.135 282 HG13 ILE 647 HG13 ILE 647 -4.077 -6.767 1.002 283 HG21 ILE 647 HG21 ILE 647 -1.966 -4.994 4.242 284 HG22 ILE 647 HG22 ILE 647 -1.077 -5.483 2.799 285 HG23 ILE 647 HG23 ILE 647 -2.173 -4.100 2.735 286 HD11 ILE 647 HD11 ILE 647 -3.520 -4.427 0.543 287 HD12 ILE 647 HD12 ILE 647 -1.807 -4.851 0.603 288 HD13 ILE 647 HD13 ILE 647 -2.846 -5.546 -0.643 289 H VAL 648 HN VAL 648 -3.555 -9.451 2.385 290 HA VAL 648 HA VAL 648 -6.336 -9.254 2.001 291 HB VAL 648 HB VAL 648 -4.232 -11.262 1.474 292 HG11 VAL 648 HG11 VAL 648 -5.892 -12.940 0.763 293 HG12 VAL 648 HG12 VAL 648 -5.832 -12.702 2.510 294 HG13 VAL 648 HG13 VAL 648 -7.143 -11.991 1.568 295 HG21 VAL 648 HG21 VAL 648 -6.520 -10.248 -0.192 296 HG22 VAL 648 HG22 VAL 648 -4.915 -9.520 -0.135 297 HG23 VAL 648 HG23 VAL 648 -5.119 -11.158 -0.755 298 H PHE 649 HN PHE 649 -4.331 -10.780 4.451 299 HA PHE 649 HA PHE 649 -6.221 -12.409 5.679 300 HB2 PHE 649 HB2 PHE 649 -3.799 -10.941 6.618 301 HB3 PHE 649 HB3 PHE 649 -4.874 -11.617 7.839 302 HD1 PHE 649 HD2 PHE 649 -5.392 -14.094 7.730 303 HD2 PHE 649 HD1 PHE 649 -2.256 -12.281 5.499 304 HE1 PHE 649 HE2 PHE 649 -4.333 -16.296 7.438 305 HE2 PHE 649 HE1 PHE 649 -1.190 -14.479 5.202 306 HZ PHE 649 HZ PHE 649 -2.228 -16.491 6.183 307 H ASP 650 HN ASP 650 -6.172 -9.087 5.265 308 HA ASP 650 HA ASP 650 -8.131 -8.594 7.397 309 HB2 ASP 650 HB2 ASP 650 -5.855 -7.160 6.535 310 HB3 ASP 650 HB3 ASP 650 -7.247 -6.219 6.030 311 HA PRO 651 HA PRO 651 -11.175 -8.155 4.174 312 HB2 PRO 651 HB2 PRO 651 -13.133 -6.903 5.515 313 HB3 PRO 651 HB3 PRO 651 -12.689 -8.577 5.874 314 HG2 PRO 651 HG2 PRO 651 -11.938 -6.066 7.320 315 HG3 PRO 651 HG3 PRO 651 -12.439 -7.632 7.982 316 HD2 PRO 651 HD2 PRO 651 -9.828 -6.818 7.801 317 HD3 PRO 651 HD3 PRO 651 -10.334 -8.518 7.800 318 H ARG 652 HN ARG 652 -9.659 -5.460 5.674 319 HA ARG 652 HA ARG 652 -11.035 -3.444 4.189 320 HB2 ARG 652 HB2 ARG 652 -8.973 -2.041 4.852 321 HB3 ARG 652 HB3 ARG 652 -10.062 -2.587 6.116 322 HG2 ARG 652 HG2 ARG 652 -8.551 -4.276 6.808 323 HG3 ARG 652 HG3 ARG 652 -7.531 -4.033 5.388 324 HD2 ARG 652 HD2 ARG 652 -6.935 -2.962 7.743 325 HD3 ARG 652 HD3 ARG 652 -6.572 -2.148 6.230 326 HE ARG 652 HE ARG 652 -8.559 -0.804 6.585 327 HH11 ARG 652 HH12 ARG 652 -7.348 -2.604 9.313 328 HH12 ARG 652 HH11 ARG 652 -8.104 -1.582 10.488 329 HH21 ARG 652 HH22 ARG 652 -9.564 0.543 8.129 330 HH22 ARG 652 HH21 ARG 652 -9.365 0.204 9.816 331 H TYR 653 HN TYR 653 -8.955 -5.829 3.272 332 HA TYR 653 HA TYR 653 -7.405 -4.425 1.330 333 HB2 TYR 653 HB2 TYR 653 -6.391 -6.441 1.876 334 HB3 TYR 653 HB3 TYR 653 -7.918 -7.302 1.980 335 HD1 TYR 653 HD2 TYR 653 -5.379 -5.981 -0.384 336 HD2 TYR 653 HD1 TYR 653 -8.820 -8.426 0.110 337 HE1 TYR 653 HE2 TYR 653 -5.058 -6.876 -2.644 338 HE2 TYR 653 HE1 TYR 653 -8.512 -9.328 -2.148 339 HH TYR 653 HH TYR 653 -7.451 -8.695 -4.250 340 H LEU 654 HN LEU 654 -10.585 -5.629 1.554 341 HA LEU 654 HA LEU 654 -11.020 -5.583 -1.333 342 HB2 LEU 654 HB2 LEU 654 -12.967 -6.323 0.842 343 HB3 LEU 654 HB3 LEU 654 -13.126 -6.644 -0.876 344 HG LEU 654 HG LEU 654 -10.991 -7.848 0.883 345 HD11 LEU 654 HD11 LEU 654 -13.179 -8.639 1.569 346 HD12 LEU 654 HD12 LEU 654 -13.575 -9.044 -0.102 347 HD13 LEU 654 HD13 LEU 654 -12.290 -9.914 0.736 348 HD21 LEU 654 HD21 LEU 654 -10.341 -7.683 -1.443 349 HD22 LEU 654 HD22 LEU 654 -10.669 -9.363 -1.018 350 HD23 LEU 654 HD23 LEU 654 -11.856 -8.441 -1.943 351 H LEU 655 HN LEU 655 -10.526 -3.139 0.192 352 HA LEU 655 HA LEU 655 -13.054 -1.789 0.456 353 HB2 LEU 655 HB2 LEU 655 -10.186 -0.976 0.735 354 HB3 LEU 655 HB3 LEU 655 -11.446 0.236 0.690 355 HG LEU 655 HG LEU 655 -11.328 -2.014 2.696 356 HD11 LEU 655 HD11 LEU 655 -10.563 0.887 3.000 357 HD12 LEU 655 HD12 LEU 655 -10.636 -0.304 4.298 358 HD13 LEU 655 HD13 LEU 655 -9.456 -0.486 3.000 359 HD21 LEU 655 HD21 LEU 655 -13.581 -1.226 2.309 360 HD22 LEU 655 HD22 LEU 655 -13.014 -0.661 3.880 361 HD23 LEU 655 HD23 LEU 655 -13.061 0.447 2.508 362 H LEU 656 HN LEU 656 -10.231 -0.644 -1.375 363 HA LEU 656 HA LEU 656 -11.839 0.792 -3.217 364 HB2 LEU 656 HB2 LEU 656 -8.926 0.043 -3.233 365 HB3 LEU 656 HB3 LEU 656 -9.659 0.977 -4.513 366 HG LEU 656 HG LEU 656 -8.550 2.492 -3.056 367 HD11 LEU 656 HD11 LEU 656 -11.505 2.560 -2.512 368 HD12 LEU 656 HD12 LEU 656 -10.389 3.910 -2.309 369 HD13 LEU 656 HD13 LEU 656 -10.686 3.244 -3.915 370 HD21 LEU 656 HD21 LEU 656 -10.106 1.235 -0.802 371 HD22 LEU 656 HD22 LEU 656 -8.370 1.093 -1.083 372 HD23 LEU 656 HD23 LEU 656 -9.071 2.657 -0.667 373 H ASN 657 HN ASN 657 -11.315 0.507 -5.653 374 HA ASN 657 HA ASN 657 -12.076 -2.229 -6.365 375 HB2 ASN 657 HB2 ASN 657 -12.101 -0.402 -8.592 376 HB3 ASN 657 HB3 ASN 657 -13.452 -1.249 -7.846 377 HD21 ASN 657 HD21 ASN 657 -14.663 -0.220 -6.255 378 HD22 ASN 657 HD22 ASN 657 -14.601 1.490 -6.021 379 HA PRO 658 HA PRO 658 -8.334 -3.445 -8.391 380 HB2 PRO 658 HB2 PRO 658 -9.079 -3.704 -11.057 381 HB3 PRO 658 HB3 PRO 658 -9.280 -4.945 -9.815 382 HG2 PRO 658 HG2 PRO 658 -11.250 -2.911 -10.795 383 HG3 PRO 658 HG3 PRO 658 -11.502 -4.642 -10.480 384 HD2 PRO 658 HD2 PRO 658 -12.329 -2.873 -8.713 385 HD3 PRO 658 HD3 PRO 658 -11.461 -4.318 -8.143 386 H LYS 659 HN LYS 659 -9.877 -0.553 -9.200 387 HA LYS 659 HA LYS 659 -7.719 0.326 -10.978 388 HB2 LYS 659 HB2 LYS 659 -10.390 1.544 -10.271 389 HB3 LYS 659 HB3 LYS 659 -9.173 2.392 -11.213 390 HG2 LYS 659 HG2 LYS 659 -10.667 1.493 -12.777 391 HG3 LYS 659 HG3 LYS 659 -9.256 0.436 -12.821 392 HD2 LYS 659 HD2 LYS 659 -10.393 -1.188 -11.425 393 HD3 LYS 659 HD3 LYS 659 -11.783 -0.112 -11.264 394 HE2 LYS 659 HE2 LYS 659 -10.779 -1.335 -13.833 395 HE3 LYS 659 HE3 LYS 659 -12.188 -1.870 -12.920 396 HZ1 LYS 659 HZ1 LYS 659 -13.219 0.274 -13.311 397 HZ2 LYS 659 HZ2 LYS 659 -12.804 -0.451 -14.782 398 HZ3 LYS 659 HZ3 LYS 659 -11.859 0.808 -14.164 399 H GLU 660 HN GLU 660 -9.536 1.613 -8.198 400 HA GLU 660 HA GLU 660 -7.679 3.595 -7.521 401 HB2 GLU 660 HB2 GLU 660 -9.718 2.156 -5.820 402 HB3 GLU 660 HB3 GLU 660 -8.806 3.557 -5.278 403 HG2 GLU 660 HG2 GLU 660 -10.705 3.479 -7.611 404 HG3 GLU 660 HG3 GLU 660 -11.034 4.176 -6.025 405 H ARG 661 HN ARG 661 -7.778 0.186 -6.848 406 HA ARG 661 HA ARG 661 -5.847 0.270 -4.722 407 HB2 ARG 661 HB2 ARG 661 -6.744 -2.064 -6.427 408 HB3 ARG 661 HB3 ARG 661 -5.802 -2.178 -4.945 409 HG2 ARG 661 HG2 ARG 661 -7.761 -0.951 -3.844 410 HG3 ARG 661 HG3 ARG 661 -8.667 -1.388 -5.289 411 HD2 ARG 661 HD2 ARG 661 -7.374 -3.206 -3.291 412 HD3 ARG 661 HD3 ARG 661 -9.088 -3.052 -3.653 413 HE ARG 661 HE ARG 661 -7.312 -3.978 -5.780 414 HH11 ARG 661 HH12 ARG 661 -9.762 -4.692 -3.406 415 HH12 ARG 661 HH11 ARG 661 -10.200 -6.206 -4.124 416 HH21 ARG 661 HH22 ARG 661 -7.884 -5.971 -6.733 417 HH22 ARG 661 HH21 ARG 661 -9.132 -6.932 -6.014 418 H LYS 662 HN LYS 662 -5.793 0.007 -8.173 419 HA LYS 662 HA LYS 662 -3.133 -0.926 -8.467 420 HB2 LYS 662 HB2 LYS 662 -5.215 -0.565 -10.166 421 HB3 LYS 662 HB3 LYS 662 -4.239 0.840 -10.569 422 HG2 LYS 662 HG2 LYS 662 -3.177 -1.974 -10.549 423 HG3 LYS 662 HG3 LYS 662 -3.837 -1.182 -11.980 424 HD2 LYS 662 HD2 LYS 662 -1.697 -0.572 -12.323 425 HD3 LYS 662 HD3 LYS 662 -2.067 0.686 -11.143 426 HE2 LYS 662 HE2 LYS 662 -1.225 -0.790 -9.352 427 HE3 LYS 662 HE3 LYS 662 -0.792 -1.988 -10.573 428 HZ1 LYS 662 HZ1 LYS 662 0.304 0.768 -10.401 429 HZ2 LYS 662 HZ2 LYS 662 0.731 -0.394 -11.553 430 HZ3 LYS 662 HZ3 LYS 662 1.110 -0.641 -9.924 431 H GLN 663 HN GLN 663 -4.577 2.267 -8.150 432 HA GLN 663 HA GLN 663 -2.050 3.601 -8.619 433 HB2 GLN 663 HB2 GLN 663 -3.604 5.601 -7.769 434 HB3 GLN 663 HB3 GLN 663 -3.648 5.007 -9.423 435 HG2 GLN 663 HG2 GLN 663 -5.688 4.051 -9.178 436 HG3 GLN 663 HG3 GLN 663 -5.450 3.716 -7.464 437 HE21 GLN 663 HE21 GLN 663 -5.878 5.314 -5.958 438 HE22 GLN 663 HE22 GLN 663 -6.812 6.716 -6.338 439 H VAL 664 HN VAL 664 -4.065 2.655 -5.911 440 HA VAL 664 HA VAL 664 -2.746 4.235 -3.950 441 HB VAL 664 HB VAL 664 -4.478 1.782 -3.789 442 HG11 VAL 664 HG11 VAL 664 -2.941 3.083 -1.564 443 HG12 VAL 664 HG12 VAL 664 -4.446 2.211 -1.267 444 HG13 VAL 664 HG13 VAL 664 -3.063 1.372 -1.969 445 HG21 VAL 664 HG21 VAL 664 -6.046 3.268 -2.732 446 HG22 VAL 664 HG22 VAL 664 -4.848 4.563 -2.692 447 HG23 VAL 664 HG23 VAL 664 -5.486 4.000 -4.236 448 H PHE 665 HN PHE 665 -2.179 1.096 -5.358 449 HA PHE 665 HA PHE 665 -0.115 0.333 -3.520 450 HB2 PHE 665 HB2 PHE 665 -1.112 -1.528 -4.461 451 HB3 PHE 665 HB3 PHE 665 -1.274 -0.775 -6.042 452 HD1 PHE 665 HD2 PHE 665 1.241 -2.197 -3.706 453 HD2 PHE 665 HD1 PHE 665 0.238 -1.258 -7.732 454 HE1 PHE 665 HE2 PHE 665 3.243 -3.395 -4.481 455 HE2 PHE 665 HE1 PHE 665 2.237 -2.458 -8.515 456 HZ PHE 665 HZ PHE 665 3.743 -3.529 -6.887 457 H ASP 666 HN ASP 666 -0.203 1.561 -6.852 458 HA ASP 666 HA ASP 666 2.612 1.561 -7.202 459 HB2 ASP 666 HB2 ASP 666 1.009 1.549 -9.082 460 HB3 ASP 666 HB3 ASP 666 0.519 3.187 -8.658 461 H GLN 667 HN GLN 667 0.362 3.853 -5.854 462 HA GLN 667 HA GLN 667 2.157 6.082 -5.922 463 HB2 GLN 667 HB2 GLN 667 -0.571 5.549 -4.899 464 HB3 GLN 667 HB3 GLN 667 0.333 6.816 -4.074 465 HG2 GLN 667 HG2 GLN 667 0.110 6.791 -7.055 466 HG3 GLN 667 HG3 GLN 667 -1.187 7.432 -6.053 467 HE21 GLN 667 HE21 GLN 667 2.162 7.690 -5.116 468 HE22 GLN 667 HE22 GLN 667 2.302 9.393 -5.362 469 H TYR 668 HN TYR 668 1.258 3.626 -3.562 470 HA TYR 668 HA TYR 668 2.613 4.841 -1.369 471 HB2 TYR 668 HB2 TYR 668 0.869 3.292 -0.872 472 HB3 TYR 668 HB3 TYR 668 1.579 2.064 -1.916 473 HD1 TYR 668 HD2 TYR 668 2.762 4.144 0.948 474 HD2 TYR 668 HD1 TYR 668 2.432 0.263 -0.759 475 HE1 TYR 668 HE2 TYR 668 3.941 3.201 2.878 476 HE2 TYR 668 HE1 TYR 668 3.614 -0.689 1.164 477 HH TYR 668 HH TYR 668 5.154 0.015 2.921 478 H VAL 669 HN VAL 669 3.353 2.191 -3.588 479 HA VAL 669 HA VAL 669 5.888 1.615 -2.504 480 HB VAL 669 HB VAL 669 6.279 0.290 -4.484 481 HG11 VAL 669 HG11 VAL 669 4.274 -1.151 -4.406 482 HG12 VAL 669 HG12 VAL 669 4.861 -0.690 -2.809 483 HG13 VAL 669 HG13 VAL 669 3.445 0.107 -3.491 484 HG21 VAL 669 HG21 VAL 669 4.561 0.251 -6.303 485 HG22 VAL 669 HG22 VAL 669 3.878 1.716 -5.599 486 HG23 VAL 669 HG23 VAL 669 5.524 1.726 -6.227 487 H LYS 670 HN LYS 670 4.791 3.982 -4.804 488 HA LYS 670 HA LYS 670 7.340 4.475 -5.978 489 HB2 LYS 670 HB2 LYS 670 5.239 5.055 -7.117 490 HB3 LYS 670 HB3 LYS 670 4.901 6.251 -5.875 491 HG2 LYS 670 HG2 LYS 670 7.488 6.510 -7.259 492 HG3 LYS 670 HG3 LYS 670 6.043 6.837 -8.220 493 HD2 LYS 670 HD2 LYS 670 6.588 8.098 -5.537 494 HD3 LYS 670 HD3 LYS 670 7.036 8.835 -7.072 495 HE2 LYS 670 HE2 LYS 670 4.242 8.094 -6.214 496 HE3 LYS 670 HE3 LYS 670 4.917 9.722 -6.248 497 HZ1 LYS 670 HZ1 LYS 670 5.190 9.511 -8.646 498 HZ2 LYS 670 HZ2 LYS 670 3.573 9.299 -8.199 499 HZ3 LYS 670 HZ3 LYS 670 4.519 7.958 -8.604 500 H THR 671 HN THR 671 5.388 6.611 -3.881 501 HA THR 671 HA THR 671 7.458 8.392 -3.309 502 HB THR 671 HB THR 671 5.170 9.012 -2.866 503 HG1 THR 671 HG1 THR 671 6.421 8.889 -0.323 504 HG21 THR 671 HG21 THR 671 4.499 6.678 -2.101 505 HG22 THR 671 HG22 THR 671 3.791 8.030 -1.219 506 HG23 THR 671 HG23 THR 671 5.137 7.127 -0.519 507 H ARG 672 HN ARG 672 6.391 5.540 -1.467 508 HA ARG 672 HA ARG 672 8.133 5.920 0.704 509 HB2 ARG 672 HB2 ARG 672 6.166 4.364 0.667 510 HB3 ARG 672 HB3 ARG 672 7.129 3.264 -0.301 511 HG2 ARG 672 HG2 ARG 672 8.799 3.196 1.519 512 HG3 ARG 672 HG3 ARG 672 7.696 4.167 2.482 513 HD2 ARG 672 HD2 ARG 672 6.072 2.462 2.534 514 HD3 ARG 672 HD3 ARG 672 6.895 1.542 1.278 515 HE ARG 672 HE ARG 672 8.332 1.964 3.775 516 HH11 ARG 672 HH12 ARG 672 6.437 -0.162 1.767 517 HH12 ARG 672 HH11 ARG 672 6.932 -1.599 2.599 518 HH21 ARG 672 HH22 ARG 672 8.987 0.080 4.876 519 HH22 ARG 672 HH21 ARG 672 8.383 -1.461 4.366 520 H ALA 673 HN ALA 673 8.496 3.658 -2.055 521 HA ALA 673 HA ALA 673 11.007 2.694 -1.437 522 HB1 ALA 673 HB1 ALA 673 9.627 1.793 -3.242 523 HB2 ALA 673 HB2 ALA 673 9.941 3.238 -4.203 524 HB3 ALA 673 HB3 ALA 673 11.265 2.148 -3.792 525 H GLU 674 HN GLU 674 10.162 5.757 -2.938 526 HA GLU 674 HA GLU 674 12.744 6.445 -3.838 527 HB2 GLU 674 HB2 GLU 674 10.333 8.095 -3.108 528 HB3 GLU 674 HB3 GLU 674 11.829 8.832 -3.662 529 HG2 GLU 674 HG2 GLU 674 10.256 6.787 -5.211 530 HG3 GLU 674 HG3 GLU 674 10.145 8.531 -5.444 531 H GLU 675 HN GLU 675 11.056 7.062 -0.781 532 HA GLU 675 HA GLU 675 13.233 8.560 0.337 533 HB2 GLU 675 HB2 GLU 675 10.917 7.272 1.783 534 HB3 GLU 675 HB3 GLU 675 11.941 8.569 2.380 535 HG2 GLU 675 HG2 GLU 675 10.085 8.757 0.018 536 HG3 GLU 675 HG3 GLU 675 9.757 9.376 1.635 537 H GLU 676 HN GLU 676 12.019 5.249 0.777 538 HA GLU 676 HA GLU 676 13.813 4.489 2.790 539 HB2 GLU 676 HB2 GLU 676 12.598 2.694 0.749 540 HB3 GLU 676 HB3 GLU 676 13.177 2.233 2.333 541 HG2 GLU 676 HG2 GLU 676 10.801 3.970 1.717 542 HG3 GLU 676 HG3 GLU 676 10.774 2.315 2.315 543 H ARG 677 HN ARG 677 13.977 4.060 -0.718 544 HA ARG 677 HA ARG 677 16.446 2.675 -0.687 545 HB2 ARG 677 HB2 ARG 677 14.877 2.504 -2.551 546 HB3 ARG 677 HB3 ARG 677 15.127 4.200 -2.932 547 HG2 ARG 677 HG2 ARG 677 17.621 2.726 -2.836 548 HG3 ARG 677 HG3 ARG 677 16.485 2.053 -4.006 549 HD2 ARG 677 HD2 ARG 677 17.213 4.972 -3.854 550 HD3 ARG 677 HD3 ARG 677 18.011 3.815 -4.918 551 HE ARG 677 HE ARG 677 15.262 3.651 -5.368 552 HH11 ARG 677 HH12 ARG 677 17.858 5.942 -5.774 553 HH12 ARG 677 HH11 ARG 677 17.138 6.707 -7.150 554 HH21 ARG 677 HH22 ARG 677 14.311 4.650 -7.180 555 HH22 ARG 677 HH21 ARG 677 15.122 5.973 -7.950 556 H ARG 678 HN ARG 678 15.647 6.111 -1.163 557 HA ARG 678 HA ARG 678 18.242 6.933 -1.873 558 HB2 ARG 678 HB2 ARG 678 17.510 9.164 -1.549 559 HB3 ARG 678 HB3 ARG 678 16.120 8.271 -2.148 560 HG2 ARG 678 HG2 ARG 678 15.170 8.166 0.056 561 HG3 ARG 678 HG3 ARG 678 16.613 8.900 0.755 562 HD2 ARG 678 HD2 ARG 678 16.174 10.914 -0.661 563 HD3 ARG 678 HD3 ARG 678 14.642 10.177 -1.132 564 HE ARG 678 HE ARG 678 14.799 10.243 1.669 565 HH11 ARG 678 HH12 ARG 678 14.461 12.401 -1.048 566 HH12 ARG 678 HH11 ARG 678 13.588 13.599 -0.152 567 HH21 ARG 678 HH22 ARG 678 13.652 11.815 2.855 568 HH22 ARG 678 HH21 ARG 678 13.129 13.267 2.067 569 H GLU 679 HN GLU 679 16.757 6.359 1.218 570 HA GLU 679 HA GLU 679 18.963 7.555 2.675 571 HB2 GLU 679 HB2 GLU 679 16.514 6.055 3.617 572 HB3 GLU 679 HB3 GLU 679 17.711 6.772 4.688 573 HG2 GLU 679 HG2 GLU 679 16.033 8.281 2.697 574 HG3 GLU 679 HG3 GLU 679 15.716 8.172 4.426 575 H LYS 680 HN LYS 680 17.486 4.314 2.535 576 HA LYS 680 HA LYS 680 20.114 3.186 3.239 577 HB2 LYS 680 HB2 LYS 680 17.404 1.920 3.672 578 HB3 LYS 680 HB3 LYS 680 18.953 1.305 4.228 579 HG2 LYS 680 HG2 LYS 680 17.691 3.884 5.135 580 HG3 LYS 680 HG3 LYS 680 17.643 2.358 6.019 581 HD2 LYS 680 HD2 LYS 680 20.095 2.370 6.150 582 HD3 LYS 680 HD3 LYS 680 20.128 3.909 5.288 583 HE2 LYS 680 HE2 LYS 680 18.843 3.397 7.969 584 HE3 LYS 680 HE3 LYS 680 20.364 4.245 7.693 585 HZ1 LYS 680 HZ1 LYS 680 17.707 5.122 6.696 586 HZ2 LYS 680 HZ2 LYS 680 19.168 5.943 6.476 587 HZ3 LYS 680 HZ3 LYS 680 18.518 5.777 8.029 588 H LYS 681 HN LYS 681 20.544 3.383 0.888 589 HA LYS 681 HA LYS 681 19.105 1.925 -1.041 590 HB2 LYS 681 HB2 LYS 681 20.734 3.730 -1.553 591 HB3 LYS 681 HB3 LYS 681 22.038 2.653 -1.074 592 HG2 LYS 681 HG2 LYS 681 21.457 1.123 -2.876 593 HG3 LYS 681 HG3 LYS 681 20.121 2.175 -3.347 594 HD2 LYS 681 HD2 LYS 681 21.724 3.980 -3.807 595 HD3 LYS 681 HD3 LYS 681 23.050 2.902 -3.368 596 HE2 LYS 681 HE2 LYS 681 21.096 2.467 -5.626 597 HE3 LYS 681 HE3 LYS 681 22.755 3.041 -5.797 598 HZ1 LYS 681 HZ1 LYS 681 21.942 0.397 -4.713 599 HZ2 LYS 681 HZ2 LYS 681 23.533 0.945 -4.874 600 HZ3 LYS 681 HZ3 LYS 681 22.588 0.677 -6.251 601 H ASN 682 HN ASN 682 21.335 0.938 1.379 602 HA ASN 682 HA ASN 682 21.378 -1.768 0.217 603 HB2 ASN 682 HB2 ASN 682 23.569 -0.407 1.798 604 HB3 ASN 682 HB3 ASN 682 23.591 -2.095 1.292 605 HD21 ASN 682 HD21 ASN 682 25.418 0.081 0.640 606 HD22 ASN 682 HD22 ASN 682 25.428 0.197 -1.083 607 H LYS 683 HN LYS 683 19.932 -0.058 2.471 608 HA LYS 683 HA LYS 683 18.941 -0.462 4.476 609 HB2 LYS 683 HB2 LYS 683 18.081 -2.410 3.220 610 HB3 LYS 683 HB3 LYS 683 19.463 -3.353 3.760 611 HG2 LYS 683 HG2 LYS 683 18.737 -3.158 6.062 612 HG3 LYS 683 HG3 LYS 683 17.389 -2.130 5.570 613 HD2 LYS 683 HD2 LYS 683 16.573 -4.367 5.916 614 HD3 LYS 683 HD3 LYS 683 16.530 -4.009 4.189 615 HE2 LYS 683 HE2 LYS 683 18.699 -5.197 3.947 616 HE3 LYS 683 HE3 LYS 683 18.603 -5.641 5.650 617 HZ1 LYS 683 HZ1 LYS 683 17.809 -7.424 4.239 618 HZ2 LYS 683 HZ2 LYS 683 16.652 -6.405 3.544 619 HZ3 LYS 683 HZ3 LYS 683 16.539 -6.820 5.180 Start of MODEL 6 1 H1 GLY 613 H1 GLY 613 -14.769 14.463 12.538 2 H2 GLY 613 H2 GLY 613 -14.775 14.496 14.230 3 H3 GLY 613 H3 GLY 613 -14.968 13.028 13.413 4 HA2 GLY 613 HA2 GLY 613 -12.525 14.716 13.375 5 HA3 GLY 613 HA1 GLY 613 -12.728 13.246 14.317 6 H ALA 614 HN ALA 614 -12.319 14.579 11.116 7 HA ALA 614 HA ALA 614 -11.628 13.683 9.143 8 HB1 ALA 614 HB1 ALA 614 -10.471 11.556 10.940 9 HB2 ALA 614 HB2 ALA 614 -10.029 11.836 9.255 10 HB3 ALA 614 HB3 ALA 614 -9.682 13.063 10.473 11 H MET 615 HN MET 615 -13.956 13.312 8.741 12 HA MET 615 HA MET 615 -14.499 10.434 8.427 13 HB2 MET 615 HB2 MET 615 -16.398 12.633 9.232 14 HB3 MET 615 HB3 MET 615 -16.951 11.076 8.633 15 HG2 MET 615 HG2 MET 615 -15.767 9.968 10.480 16 HG3 MET 615 HG3 MET 615 -15.283 11.548 11.093 17 HE1 MET 615 HE1 MET 615 -18.267 9.173 10.286 18 HE2 MET 615 HE2 MET 615 -19.653 10.075 10.898 19 HE3 MET 615 HE3 MET 615 -18.790 10.646 9.469 20 H GLY 616 HN GLY 616 -13.884 10.277 6.306 21 HA2 GLY 616 HA1 GLY 616 -15.194 12.085 4.384 22 HA3 GLY 616 HA2 GLY 616 -13.739 11.151 4.067 23 H SER 617 HN SER 617 -15.340 10.824 2.124 24 HA SER 617 HA SER 617 -17.110 8.547 2.671 25 HB2 SER 617 HB2 SER 617 -18.153 10.406 1.474 26 HB3 SER 617 HB3 SER 617 -16.909 10.325 0.228 27 HG SER 617 HG SER 617 -18.671 8.196 0.867 28 H LEU 618 HN LEU 618 -15.251 9.438 -0.225 29 HA LEU 618 HA LEU 618 -14.479 6.649 -0.546 30 HB2 LEU 618 HB2 LEU 618 -15.355 7.866 -2.482 31 HB3 LEU 618 HB3 LEU 618 -14.058 9.038 -2.345 32 HG LEU 618 HG LEU 618 -12.433 7.168 -2.773 33 HD11 LEU 618 HD11 LEU 618 -14.959 5.666 -3.441 34 HD12 LEU 618 HD12 LEU 618 -13.321 5.131 -3.819 35 HD13 LEU 618 HD13 LEU 618 -13.829 5.294 -2.138 36 HD21 LEU 618 HD21 LEU 618 -14.478 7.726 -4.916 37 HD22 LEU 618 HD22 LEU 618 -13.083 8.733 -4.523 38 HD23 LEU 618 HD23 LEU 618 -12.845 7.112 -5.180 39 H GLU 619 HN GLU 619 -13.005 9.812 -0.037 40 HA GLU 619 HA GLU 619 -10.324 9.116 -0.336 41 HB2 GLU 619 HB2 GLU 619 -9.860 11.055 1.167 42 HB3 GLU 619 HB3 GLU 619 -10.957 11.428 -0.156 43 HG2 GLU 619 HG2 GLU 619 -12.858 11.203 1.385 44 HG3 GLU 619 HG3 GLU 619 -11.729 10.893 2.704 45 H ALA 620 HN ALA 620 -12.425 8.913 2.507 46 HA ALA 620 HA ALA 620 -10.510 8.154 4.384 47 HB1 ALA 620 HB1 ALA 620 -12.355 7.259 5.688 48 HB2 ALA 620 HB2 ALA 620 -12.802 8.807 4.969 49 HB3 ALA 620 HB3 ALA 620 -13.401 7.302 4.269 50 H ARG 621 HN ARG 621 -12.304 6.268 2.015 51 HA ARG 621 HA ARG 621 -11.572 3.706 2.939 52 HB2 ARG 621 HB2 ARG 621 -13.349 4.402 1.173 53 HB3 ARG 621 HB3 ARG 621 -12.008 4.351 0.038 54 HG2 ARG 621 HG2 ARG 621 -11.586 2.009 0.813 55 HG3 ARG 621 HG3 ARG 621 -13.139 2.092 1.647 56 HD2 ARG 621 HD2 ARG 621 -12.534 2.043 -1.268 57 HD3 ARG 621 HD3 ARG 621 -13.767 1.168 -0.366 58 HE ARG 621 HE ARG 621 -14.040 4.065 -0.670 59 HH11 ARG 621 HH12 ARG 621 -15.101 0.844 -1.479 60 HH12 ARG 621 HH11 ARG 621 -16.609 1.370 -2.147 61 HH21 ARG 621 HH22 ARG 621 -16.027 4.766 -1.544 62 HH22 ARG 621 HH21 ARG 621 -17.136 3.600 -2.184 63 H MET 622 HN MET 622 -10.208 5.827 0.445 64 HA MET 622 HA MET 622 -8.013 4.128 -0.137 65 HB2 MET 622 HB2 MET 622 -8.573 7.031 -0.716 66 HB3 MET 622 HB3 MET 622 -7.077 6.252 -1.204 67 HG2 MET 622 HG2 MET 622 -8.428 4.596 -2.473 68 HG3 MET 622 HG3 MET 622 -9.861 5.552 -2.090 69 HE1 MET 622 HE1 MET 622 -6.276 6.771 -2.730 70 HE2 MET 622 HE2 MET 622 -6.350 5.628 -4.070 71 HE3 MET 622 HE3 MET 622 -6.305 7.361 -4.392 72 H LYS 623 HN LYS 623 -8.733 5.941 2.519 73 HA LYS 623 HA LYS 623 -6.007 6.743 3.148 74 HB2 LYS 623 HB2 LYS 623 -7.966 8.240 3.651 75 HB3 LYS 623 HB3 LYS 623 -8.494 7.053 4.837 76 HG2 LYS 623 HG2 LYS 623 -5.789 7.618 5.394 77 HG3 LYS 623 HG3 LYS 623 -6.598 9.163 5.123 78 HD2 LYS 623 HD2 LYS 623 -6.784 8.665 7.444 79 HD3 LYS 623 HD3 LYS 623 -8.375 8.404 6.727 80 HE2 LYS 623 HE2 LYS 623 -7.925 5.997 6.624 81 HE3 LYS 623 HE3 LYS 623 -6.340 6.264 7.350 82 HZ1 LYS 623 HZ1 LYS 623 -7.429 7.118 9.330 83 HZ2 LYS 623 HZ2 LYS 623 -7.957 5.546 8.993 84 HZ3 LYS 623 HZ3 LYS 623 -8.951 6.866 8.633 85 H GLN 624 HN GLN 624 -8.569 4.628 4.308 86 HA GLN 624 HA GLN 624 -7.022 3.471 6.395 87 HB2 GLN 624 HB2 GLN 624 -9.539 2.549 5.000 88 HB3 GLN 624 HB3 GLN 624 -8.822 1.707 6.367 89 HG2 GLN 624 HG2 GLN 624 -9.383 3.360 7.857 90 HG3 GLN 624 HG3 GLN 624 -9.470 4.601 6.609 91 HE21 GLN 624 HE21 GLN 624 -11.306 4.739 5.316 92 HE22 GLN 624 HE22 GLN 624 -12.808 4.024 5.784 93 H PHE 625 HN PHE 625 -7.176 3.066 2.993 94 HA PHE 625 HA PHE 625 -6.145 0.378 3.041 95 HB2 PHE 625 HB2 PHE 625 -7.702 1.539 1.237 96 HB3 PHE 625 HB3 PHE 625 -6.148 1.996 0.544 97 HD1 PHE 625 HD2 PHE 625 -4.408 -0.062 0.506 98 HD2 PHE 625 HD1 PHE 625 -8.642 -0.373 0.435 99 HE1 PHE 625 HE2 PHE 625 -4.222 -2.291 -0.522 100 HE2 PHE 625 HE1 PHE 625 -8.469 -2.601 -0.598 101 HZ PHE 625 HZ PHE 625 -6.255 -3.558 -1.087 102 H LYS 626 HN LYS 626 -5.020 3.573 1.962 103 HA LYS 626 HA LYS 626 -2.432 2.829 1.271 104 HB2 LYS 626 HB2 LYS 626 -3.584 5.079 0.894 105 HB3 LYS 626 HB3 LYS 626 -3.120 5.475 2.543 106 HG2 LYS 626 HG2 LYS 626 -0.742 4.692 1.606 107 HG3 LYS 626 HG3 LYS 626 -1.471 5.267 0.105 108 HD2 LYS 626 HD2 LYS 626 -0.347 7.128 1.022 109 HD3 LYS 626 HD3 LYS 626 -2.058 7.387 1.372 110 HE2 LYS 626 HE2 LYS 626 -1.713 6.495 3.636 111 HE3 LYS 626 HE3 LYS 626 -0.001 6.279 3.280 112 HZ1 LYS 626 HZ1 LYS 626 -0.352 8.317 4.493 113 HZ2 LYS 626 HZ2 LYS 626 -1.460 8.865 3.339 114 HZ3 LYS 626 HZ3 LYS 626 0.169 8.680 2.924 115 H ASP 627 HN ASP 627 -3.740 3.985 4.354 116 HA ASP 627 HA ASP 627 -1.351 3.902 5.826 117 HB2 ASP 627 HB2 ASP 627 -3.363 5.060 6.631 118 HB3 ASP 627 HB3 ASP 627 -4.197 3.517 6.790 119 H MET 628 HN MET 628 -3.922 1.498 5.361 120 HA MET 628 HA MET 628 -2.881 -0.503 7.003 121 HB2 MET 628 HB2 MET 628 -5.140 -0.608 6.094 122 HB3 MET 628 HB3 MET 628 -4.501 -0.767 4.465 123 HG2 MET 628 HG2 MET 628 -3.741 -2.769 6.534 124 HG3 MET 628 HG3 MET 628 -5.331 -2.857 5.779 125 HE1 MET 628 HE1 MET 628 -4.846 -1.857 2.862 126 HE2 MET 628 HE2 MET 628 -4.468 -3.360 2.019 127 HE3 MET 628 HE3 MET 628 -5.751 -3.326 3.229 128 H LEU 629 HN LEU 629 -2.036 0.486 3.756 129 HA LEU 629 HA LEU 629 -0.534 -1.762 2.984 130 HB2 LEU 629 HB2 LEU 629 -0.810 1.032 2.127 131 HB3 LEU 629 HB3 LEU 629 0.779 0.363 1.829 132 HG LEU 629 HG LEU 629 -0.055 -1.260 0.340 133 HD11 LEU 629 HD11 LEU 629 -1.909 -2.129 1.569 134 HD12 LEU 629 HD12 LEU 629 -2.781 -0.603 1.431 135 HD13 LEU 629 HD13 LEU 629 -2.505 -1.592 -0.001 136 HD21 LEU 629 HD21 LEU 629 -0.035 1.022 -0.562 137 HD22 LEU 629 HD22 LEU 629 -1.286 0.030 -1.307 138 HD23 LEU 629 HD23 LEU 629 -1.719 1.220 -0.079 139 H LEU 630 HN LEU 630 0.314 1.188 4.724 140 HA LEU 630 HA LEU 630 3.061 0.465 5.077 141 HB2 LEU 630 HB2 LEU 630 2.209 2.795 5.064 142 HB3 LEU 630 HB3 LEU 630 1.435 2.483 6.605 143 HG LEU 630 HG LEU 630 3.449 2.454 7.766 144 HD11 LEU 630 HD11 LEU 630 4.852 1.983 5.135 145 HD12 LEU 630 HD12 LEU 630 5.663 2.248 6.679 146 HD13 LEU 630 HD13 LEU 630 4.653 0.821 6.447 147 HD21 LEU 630 HD21 LEU 630 3.858 4.339 5.465 148 HD22 LEU 630 HD22 LEU 630 2.959 4.676 6.943 149 HD23 LEU 630 HD23 LEU 630 4.704 4.417 7.010 150 H GLU 631 HN GLU 631 0.151 -0.441 6.603 151 HA GLU 631 HA GLU 631 1.155 -0.903 9.226 152 HB2 GLU 631 HB2 GLU 631 -1.277 -1.930 7.774 153 HB3 GLU 631 HB3 GLU 631 -0.904 -2.379 9.431 154 HG2 GLU 631 HG2 GLU 631 -1.372 0.419 8.424 155 HG3 GLU 631 HG3 GLU 631 -2.520 -0.564 9.332 156 H ARG 632 HN ARG 632 0.506 -3.122 6.484 157 HA ARG 632 HA ARG 632 2.000 -5.202 7.909 158 HB2 ARG 632 HB2 ARG 632 0.496 -5.423 5.295 159 HB3 ARG 632 HB3 ARG 632 1.150 -6.750 6.243 160 HG2 ARG 632 HG2 ARG 632 -1.001 -6.870 6.903 161 HG3 ARG 632 HG3 ARG 632 -0.418 -5.712 8.100 162 HD2 ARG 632 HD2 ARG 632 -1.078 -4.001 6.172 163 HD3 ARG 632 HD3 ARG 632 -2.193 -5.304 5.760 164 HE ARG 632 HE ARG 632 -2.409 -3.515 7.959 165 HH11 ARG 632 HH12 ARG 632 -3.047 -6.796 6.974 166 HH12 ARG 632 HH11 ARG 632 -4.341 -7.018 8.104 167 HH21 ARG 632 HH22 ARG 632 -4.108 -3.799 9.448 168 HH22 ARG 632 HH21 ARG 632 -4.943 -5.314 9.511 169 H GLY 633 HN GLY 633 2.747 -2.691 6.062 170 HA2 GLY 633 HA1 GLY 633 4.536 -2.124 4.746 171 HA3 GLY 633 HA2 GLY 633 5.326 -3.551 5.413 172 H VAL 634 HN VAL 634 3.216 -2.373 2.883 173 HA VAL 634 HA VAL 634 3.346 -4.816 1.376 174 HB VAL 634 HB VAL 634 2.185 -2.087 0.777 175 HG11 VAL 634 HG11 VAL 634 1.125 -3.729 -1.130 176 HG12 VAL 634 HG12 VAL 634 2.435 -2.578 -1.398 177 HG13 VAL 634 HG13 VAL 634 2.803 -4.269 -1.072 178 HG21 VAL 634 HG21 VAL 634 0.932 -3.403 2.369 179 HG22 VAL 634 HG22 VAL 634 0.053 -3.330 0.841 180 HG23 VAL 634 HG23 VAL 634 0.943 -4.791 1.277 181 H SER 635 HN SER 635 5.735 -4.572 1.760 182 HA SER 635 HA SER 635 7.744 -3.299 1.088 183 HB2 SER 635 HB2 SER 635 7.987 -5.650 1.058 184 HB3 SER 635 HB3 SER 635 7.024 -5.802 -0.409 185 HG SER 635 HG SER 635 8.684 -4.917 -1.583 186 H ALA 636 HN ALA 636 7.733 -1.418 0.096 187 HA ALA 636 HA ALA 636 6.401 -0.672 -2.200 188 HB1 ALA 636 HB1 ALA 636 9.038 0.466 -1.317 189 HB2 ALA 636 HB2 ALA 636 7.729 1.287 -2.169 190 HB3 ALA 636 HB3 ALA 636 7.512 0.787 -0.489 191 H PHE 637 HN PHE 637 8.988 -2.818 -1.980 192 HA PHE 637 HA PHE 637 9.392 -2.663 -4.884 193 HB2 PHE 637 HB2 PHE 637 11.817 -3.516 -4.234 194 HB3 PHE 637 HB3 PHE 637 11.441 -1.799 -4.303 195 HD1 PHE 637 HD1 PHE 637 11.560 -4.658 -1.916 196 HD2 PHE 637 HD2 PHE 637 11.911 -0.453 -2.484 197 HE1 PHE 637 HE1 PHE 637 12.304 -4.408 0.415 198 HE2 PHE 637 HE2 PHE 637 12.653 -0.197 -0.154 199 HZ PHE 637 HZ PHE 637 12.852 -2.175 1.299 200 H SER 638 HN SER 638 7.605 -4.333 -4.419 201 HA SER 638 HA SER 638 8.835 -6.980 -4.500 202 HB2 SER 638 HB2 SER 638 7.112 -7.868 -2.901 203 HB3 SER 638 HB3 SER 638 8.275 -6.774 -2.149 204 HG SER 638 HG SER 638 5.685 -6.061 -3.066 205 H THR 639 HN THR 639 6.542 -8.520 -4.479 206 HA THR 639 HA THR 639 5.176 -7.549 -6.897 207 HB THR 639 HB THR 639 6.207 -9.616 -7.382 208 HG1 THR 639 HG1 THR 639 4.441 -10.737 -8.035 209 HG21 THR 639 HG21 THR 639 6.656 -10.383 -5.115 210 HG22 THR 639 HG22 THR 639 5.863 -11.651 -6.050 211 HG23 THR 639 HG23 THR 639 4.940 -10.715 -4.876 212 H TRP 640 HN TRP 640 3.064 -7.286 -6.961 213 HA TRP 640 HA TRP 640 1.596 -6.649 -4.774 214 HB2 TRP 640 HB2 TRP 640 0.831 -5.892 -6.854 215 HB3 TRP 640 HB3 TRP 640 0.762 -7.521 -7.521 216 HD1 TRP 640 HD1 TRP 640 -1.443 -8.874 -7.192 217 HE1 TRP 640 HE1 TRP 640 -3.757 -8.298 -6.201 218 HE3 TRP 640 HE3 TRP 640 -0.284 -4.453 -4.918 219 HZ2 TRP 640 HZ2 TRP 640 -4.920 -6.257 -4.653 220 HZ3 TRP 640 HZ3 TRP 640 -2.046 -3.253 -3.693 221 HH2 TRP 640 HH2 TRP 640 -4.319 -4.144 -3.561 222 H GLU 641 HN GLU 641 2.087 -9.915 -5.928 223 HA GLU 641 HA GLU 641 -0.251 -10.930 -4.599 224 HB2 GLU 641 HB2 GLU 641 1.308 -13.146 -4.974 225 HB3 GLU 641 HB3 GLU 641 0.154 -12.515 -6.139 226 HG2 GLU 641 HG2 GLU 641 1.865 -11.377 -7.334 227 HG3 GLU 641 HG3 GLU 641 3.050 -11.721 -6.076 228 H LYS 642 HN LYS 642 3.210 -10.961 -3.879 229 HA LYS 642 HA LYS 642 3.047 -12.395 -1.483 230 HB2 LYS 642 HB2 LYS 642 4.893 -10.138 -2.295 231 HB3 LYS 642 HB3 LYS 642 5.113 -11.098 -0.842 232 HG2 LYS 642 HG2 LYS 642 5.061 -12.232 -3.626 233 HG3 LYS 642 HG3 LYS 642 6.531 -11.792 -2.758 234 HD2 LYS 642 HD2 LYS 642 4.502 -13.756 -1.710 235 HD3 LYS 642 HD3 LYS 642 5.911 -14.222 -2.664 236 HE2 LYS 642 HE2 LYS 642 6.060 -12.655 -0.099 237 HE3 LYS 642 HE3 LYS 642 6.213 -14.410 -0.185 238 HZ1 LYS 642 HZ1 LYS 642 8.143 -14.145 -1.599 239 HZ2 LYS 642 HZ2 LYS 642 8.370 -13.299 -0.152 240 HZ3 LYS 642 HZ3 LYS 642 7.979 -12.460 -1.567 241 H GLU 643 HN GLU 643 2.730 -8.988 -2.231 242 HA GLU 643 HA GLU 643 2.176 -8.173 0.417 243 HB2 GLU 643 HB2 GLU 643 1.345 -6.638 -2.019 244 HB3 GLU 643 HB3 GLU 643 1.870 -6.024 -0.457 245 HG2 GLU 643 HG2 GLU 643 3.553 -7.247 -2.614 246 HG3 GLU 643 HG3 GLU 643 3.626 -5.608 -1.970 247 H LEU 644 HN LEU 644 0.351 -9.657 -2.025 248 HA LEU 644 HA LEU 644 -2.221 -8.692 -1.429 249 HB2 LEU 644 HB2 LEU 644 -1.410 -10.294 -3.340 250 HB3 LEU 644 HB3 LEU 644 -1.776 -11.537 -2.168 251 HG LEU 644 HG LEU 644 -4.061 -10.281 -2.017 252 HD11 LEU 644 HD11 LEU 644 -2.946 -9.494 -4.680 253 HD12 LEU 644 HD12 LEU 644 -4.680 -9.608 -4.389 254 HD13 LEU 644 HD13 LEU 644 -3.704 -8.476 -3.456 255 HD21 LEU 644 HD21 LEU 644 -3.759 -12.621 -2.623 256 HD22 LEU 644 HD22 LEU 644 -4.952 -11.849 -3.670 257 HD23 LEU 644 HD23 LEU 644 -3.318 -12.147 -4.263 258 H HIS 645 HN HIS 645 -0.790 -11.825 -0.488 259 HA HIS 645 HA HIS 645 -2.767 -12.486 1.342 260 HB2 HIS 645 HB2 HIS 645 -1.340 -14.230 2.090 261 HB3 HIS 645 HB3 HIS 645 -0.993 -14.013 0.380 262 HD2 HIS 645 HD2 HIS 645 0.639 -13.037 3.819 263 HE1 HIS 645 HE1 HIS 645 3.628 -13.349 0.850 264 HE2 HIS 645 HE2 HIS 645 3.183 -13.162 3.336 265 H LYS 646 HN LYS 646 0.188 -10.590 1.780 266 HA LYS 646 HA LYS 646 0.184 -10.532 4.564 267 HB2 LYS 646 HB2 LYS 646 1.266 -8.704 2.472 268 HB3 LYS 646 HB3 LYS 646 1.316 -8.211 4.161 269 HG2 LYS 646 HG2 LYS 646 2.535 -10.275 4.709 270 HG3 LYS 646 HG3 LYS 646 2.523 -10.717 3.002 271 HD2 LYS 646 HD2 LYS 646 3.632 -8.075 3.825 272 HD3 LYS 646 HD3 LYS 646 4.602 -9.528 4.057 273 HE2 LYS 646 HE2 LYS 646 4.155 -10.046 1.621 274 HE3 LYS 646 HE3 LYS 646 3.508 -8.413 1.488 275 HZ1 LYS 646 HZ1 LYS 646 5.612 -7.505 2.094 276 HZ2 LYS 646 HZ2 LYS 646 5.876 -8.618 0.847 277 HZ3 LYS 646 HZ3 LYS 646 6.246 -9.035 2.443 278 H ILE 647 HN ILE 647 -1.609 -8.524 2.288 279 HA ILE 647 HA ILE 647 -2.865 -7.127 4.558 280 HB ILE 647 HB ILE 647 -3.667 -5.516 2.940 281 HG12 ILE 647 HG12 ILE 647 -2.580 -7.527 0.993 282 HG13 ILE 647 HG13 ILE 647 -4.148 -6.728 1.000 283 HG21 ILE 647 HG21 ILE 647 -0.748 -6.115 2.467 284 HG22 ILE 647 HG22 ILE 647 -1.545 -4.551 2.303 285 HG23 ILE 647 HG23 ILE 647 -1.390 -5.300 3.893 286 HD11 ILE 647 HD11 ILE 647 -2.924 -4.601 0.464 287 HD12 ILE 647 HD12 ILE 647 -1.497 -5.601 0.190 288 HD13 ILE 647 HD13 ILE 647 -2.941 -5.835 -0.801 289 H VAL 648 HN VAL 648 -3.398 -9.698 2.538 290 HA VAL 648 HA VAL 648 -6.172 -9.406 1.980 291 HB VAL 648 HB VAL 648 -4.083 -11.412 1.508 292 HG11 VAL 648 HG11 VAL 648 -5.553 -12.857 2.738 293 HG12 VAL 648 HG12 VAL 648 -6.942 -12.294 1.807 294 HG13 VAL 648 HG13 VAL 648 -5.670 -13.225 1.016 295 HG21 VAL 648 HG21 VAL 648 -5.145 -11.533 -0.659 296 HG22 VAL 648 HG22 VAL 648 -6.514 -10.597 -0.062 297 HG23 VAL 648 HG23 VAL 648 -4.923 -9.848 -0.183 298 H PHE 649 HN PHE 649 -4.269 -10.821 4.557 299 HA PHE 649 HA PHE 649 -6.252 -12.344 5.801 300 HB2 PHE 649 HB2 PHE 649 -3.654 -11.785 6.371 301 HB3 PHE 649 HB3 PHE 649 -4.462 -10.814 7.597 302 HD1 PHE 649 HD1 PHE 649 -4.653 -14.248 6.146 303 HD2 PHE 649 HD2 PHE 649 -4.879 -11.793 9.615 304 HE1 PHE 649 HE1 PHE 649 -4.952 -16.255 7.538 305 HE2 PHE 649 HE2 PHE 649 -5.180 -13.798 11.016 306 HZ PHE 649 HZ PHE 649 -5.219 -16.040 9.962 307 H ASP 650 HN ASP 650 -6.041 -9.044 5.247 308 HA ASP 650 HA ASP 650 -7.975 -8.356 7.345 309 HB2 ASP 650 HB2 ASP 650 -5.685 -7.039 6.357 310 HB3 ASP 650 HB3 ASP 650 -7.059 -6.112 5.776 311 HA PRO 651 HA PRO 651 -11.069 -8.084 4.163 312 HB2 PRO 651 HB2 PRO 651 -13.005 -6.781 5.472 313 HB3 PRO 651 HB3 PRO 651 -12.524 -8.418 5.935 314 HG2 PRO 651 HG2 PRO 651 -11.790 -5.802 7.184 315 HG3 PRO 651 HG3 PRO 651 -12.228 -7.331 7.967 316 HD2 PRO 651 HD2 PRO 651 -9.641 -6.449 7.622 317 HD3 PRO 651 HD3 PRO 651 -10.100 -8.152 7.814 318 H ARG 652 HN ARG 652 -9.680 -5.205 5.557 319 HA ARG 652 HA ARG 652 -11.102 -3.392 3.882 320 HB2 ARG 652 HB2 ARG 652 -9.182 -1.803 4.470 321 HB3 ARG 652 HB3 ARG 652 -10.215 -2.361 5.775 322 HG2 ARG 652 HG2 ARG 652 -8.547 -3.909 6.514 323 HG3 ARG 652 HG3 ARG 652 -7.533 -3.551 5.112 324 HD2 ARG 652 HD2 ARG 652 -6.955 -1.455 5.900 325 HD3 ARG 652 HD3 ARG 652 -8.374 -1.336 6.938 326 HE ARG 652 HE ARG 652 -6.627 -3.427 7.770 327 HH11 ARG 652 HH12 ARG 652 -7.066 0.029 7.834 328 HH12 ARG 652 HH11 ARG 652 -6.173 0.245 9.301 329 HH21 ARG 652 HH22 ARG 652 -5.453 -3.151 9.708 330 HH22 ARG 652 HH21 ARG 652 -5.257 -1.562 10.367 331 H TYR 653 HN TYR 653 -8.878 -5.725 3.176 332 HA TYR 653 HA TYR 653 -7.371 -4.406 1.150 333 HB2 TYR 653 HB2 TYR 653 -6.298 -6.358 1.768 334 HB3 TYR 653 HB3 TYR 653 -7.800 -7.238 1.996 335 HD1 TYR 653 HD2 TYR 653 -5.435 -5.996 -0.609 336 HD2 TYR 653 HD1 TYR 653 -8.652 -8.623 0.300 337 HE1 TYR 653 HE2 TYR 653 -5.154 -7.082 -2.784 338 HE2 TYR 653 HE1 TYR 653 -8.376 -9.719 -1.877 339 HH TYR 653 HH TYR 653 -7.464 -9.192 -4.093 340 H LEU 654 HN LEU 654 -10.534 -5.570 1.449 341 HA LEU 654 HA LEU 654 -10.975 -5.664 -1.442 342 HB2 LEU 654 HB2 LEU 654 -12.878 -6.447 0.757 343 HB3 LEU 654 HB3 LEU 654 -13.042 -6.792 -0.955 344 HG LEU 654 HG LEU 654 -10.852 -7.904 0.796 345 HD11 LEU 654 HD11 LEU 654 -13.425 -9.168 -0.131 346 HD12 LEU 654 HD12 LEU 654 -12.097 -10.019 0.658 347 HD13 LEU 654 HD13 LEU 654 -12.984 -8.769 1.530 348 HD21 LEU 654 HD21 LEU 654 -10.567 -9.467 -1.108 349 HD22 LEU 654 HD22 LEU 654 -11.716 -8.496 -2.029 350 HD23 LEU 654 HD23 LEU 654 -10.185 -7.791 -1.503 351 H LEU 655 HN LEU 655 -10.576 -3.156 -0.020 352 HA LEU 655 HA LEU 655 -13.193 -1.950 0.216 353 HB2 LEU 655 HB2 LEU 655 -10.392 -0.938 0.548 354 HB3 LEU 655 HB3 LEU 655 -11.755 0.158 0.533 355 HG LEU 655 HG LEU 655 -11.354 -2.101 2.492 356 HD11 LEU 655 HD11 LEU 655 -9.760 -0.314 2.860 357 HD12 LEU 655 HD12 LEU 655 -11.057 0.880 2.823 358 HD13 LEU 655 HD13 LEU 655 -10.988 -0.306 4.127 359 HD21 LEU 655 HD21 LEU 655 -13.708 -1.669 2.072 360 HD22 LEU 655 HD22 LEU 655 -13.251 -1.107 3.679 361 HD23 LEU 655 HD23 LEU 655 -13.461 0.052 2.366 362 H LEU 656 HN LEU 656 -10.370 -0.679 -1.562 363 HA LEU 656 HA LEU 656 -12.021 0.682 -3.423 364 HB2 LEU 656 HB2 LEU 656 -9.074 0.068 -3.450 365 HB3 LEU 656 HB3 LEU 656 -9.862 0.927 -4.738 366 HG LEU 656 HG LEU 656 -8.802 2.527 -3.331 367 HD11 LEU 656 HD11 LEU 656 -10.762 3.846 -2.522 368 HD12 LEU 656 HD12 LEU 656 -10.859 3.306 -4.199 369 HD13 LEU 656 HD13 LEU 656 -11.781 2.471 -2.953 370 HD21 LEU 656 HD21 LEU 656 -10.340 1.356 -1.021 371 HD22 LEU 656 HD22 LEU 656 -8.610 1.163 -1.312 372 HD23 LEU 656 HD23 LEU 656 -9.273 2.760 -0.965 373 H ASN 657 HN ASN 657 -11.336 0.396 -5.859 374 HA ASN 657 HA ASN 657 -12.049 -2.359 -6.580 375 HB2 ASN 657 HB2 ASN 657 -12.197 0.187 -8.221 376 HB3 ASN 657 HB3 ASN 657 -12.826 -1.388 -8.694 377 HD21 ASN 657 HD21 ASN 657 -13.157 1.223 -6.366 378 HD22 ASN 657 HD22 ASN 657 -14.818 0.932 -5.999 379 HA PRO 658 HA PRO 658 -8.237 -3.340 -8.624 380 HB2 PRO 658 HB2 PRO 658 -8.950 -3.553 -11.311 381 HB3 PRO 658 HB3 PRO 658 -9.045 -4.848 -10.115 382 HG2 PRO 658 HG2 PRO 658 -11.184 -2.999 -11.082 383 HG3 PRO 658 HG3 PRO 658 -11.281 -4.735 -10.720 384 HD2 PRO 658 HD2 PRO 658 -12.248 -2.952 -9.008 385 HD3 PRO 658 HD3 PRO 658 -11.349 -4.362 -8.411 386 H LYS 659 HN LYS 659 -9.955 -0.530 -9.416 387 HA LYS 659 HA LYS 659 -7.841 0.529 -11.141 388 HB2 LYS 659 HB2 LYS 659 -10.507 1.700 -10.317 389 HB3 LYS 659 HB3 LYS 659 -9.357 2.495 -11.381 390 HG2 LYS 659 HG2 LYS 659 -10.918 1.550 -12.824 391 HG3 LYS 659 HG3 LYS 659 -9.564 0.420 -12.860 392 HD2 LYS 659 HD2 LYS 659 -10.713 -1.033 -11.281 393 HD3 LYS 659 HD3 LYS 659 -12.052 0.112 -11.178 394 HE2 LYS 659 HE2 LYS 659 -12.591 -1.746 -12.667 395 HE3 LYS 659 HE3 LYS 659 -12.524 -0.222 -13.550 396 HZ1 LYS 659 HZ1 LYS 659 -11.415 -2.016 -14.744 397 HZ2 LYS 659 HZ2 LYS 659 -10.349 -2.243 -13.450 398 HZ3 LYS 659 HZ3 LYS 659 -10.318 -0.796 -14.326 399 H GLU 660 HN GLU 660 -9.687 1.662 -8.308 400 HA GLU 660 HA GLU 660 -7.840 3.641 -7.558 401 HB2 GLU 660 HB2 GLU 660 -9.831 2.139 -5.858 402 HB3 GLU 660 HB3 GLU 660 -8.992 3.597 -5.363 403 HG2 GLU 660 HG2 GLU 660 -10.739 4.697 -6.152 404 HG3 GLU 660 HG3 GLU 660 -10.135 4.293 -7.753 405 H ARG 661 HN ARG 661 -7.823 0.246 -7.251 406 HA ARG 661 HA ARG 661 -6.014 0.101 -5.034 407 HB2 ARG 661 HB2 ARG 661 -7.657 -1.716 -5.955 408 HB3 ARG 661 HB3 ARG 661 -6.335 -2.091 -7.035 409 HG2 ARG 661 HG2 ARG 661 -5.837 -3.539 -5.398 410 HG3 ARG 661 HG3 ARG 661 -4.974 -2.128 -4.781 411 HD2 ARG 661 HD2 ARG 661 -7.716 -3.077 -3.984 412 HD3 ARG 661 HD3 ARG 661 -6.253 -3.112 -3.005 413 HE ARG 661 HE ARG 661 -8.036 -0.969 -3.220 414 HH11 ARG 661 HH12 ARG 661 -4.597 -1.551 -3.300 415 HH12 ARG 661 HH11 ARG 661 -4.193 0.002 -2.650 416 HH21 ARG 661 HH22 ARG 661 -7.507 1.071 -2.378 417 HH22 ARG 661 HH21 ARG 661 -5.849 1.488 -2.116 418 H LYS 662 HN LYS 662 -5.778 0.413 -8.467 419 HA LYS 662 HA LYS 662 -3.038 -0.345 -8.698 420 HB2 LYS 662 HB2 LYS 662 -4.482 -0.458 -10.639 421 HB3 LYS 662 HB3 LYS 662 -4.841 1.257 -10.522 422 HG2 LYS 662 HG2 LYS 662 -1.999 0.469 -10.827 423 HG3 LYS 662 HG3 LYS 662 -3.060 0.295 -12.226 424 HD2 LYS 662 HD2 LYS 662 -3.146 2.507 -12.563 425 HD3 LYS 662 HD3 LYS 662 -3.402 2.841 -10.849 426 HE2 LYS 662 HE2 LYS 662 -1.317 3.833 -11.685 427 HE3 LYS 662 HE3 LYS 662 -1.027 2.634 -10.423 428 HZ1 LYS 662 HZ1 LYS 662 -0.454 1.025 -12.126 429 HZ2 LYS 662 HZ2 LYS 662 0.525 2.397 -12.265 430 HZ3 LYS 662 HZ3 LYS 662 -0.755 2.160 -13.344 431 H GLN 663 HN GLN 663 -4.760 2.710 -8.264 432 HA GLN 663 HA GLN 663 -2.432 4.337 -8.512 433 HB2 GLN 663 HB2 GLN 663 -3.837 6.158 -7.771 434 HB3 GLN 663 HB3 GLN 663 -4.746 5.174 -8.910 435 HG2 GLN 663 HG2 GLN 663 -5.904 4.094 -7.059 436 HG3 GLN 663 HG3 GLN 663 -4.986 5.064 -5.912 437 HE21 GLN 663 HE21 GLN 663 -7.827 4.911 -6.212 438 HE22 GLN 663 HE22 GLN 663 -8.384 6.499 -6.590 439 H VAL 664 HN VAL 664 -4.229 2.924 -5.820 440 HA VAL 664 HA VAL 664 -2.768 4.199 -3.757 441 HB VAL 664 HB VAL 664 -4.462 1.711 -3.793 442 HG11 VAL 664 HG11 VAL 664 -4.364 2.152 -1.202 443 HG12 VAL 664 HG12 VAL 664 -3.144 1.156 -2.003 444 HG13 VAL 664 HG13 VAL 664 -2.785 2.836 -1.604 445 HG21 VAL 664 HG21 VAL 664 -4.883 4.447 -2.595 446 HG22 VAL 664 HG22 VAL 664 -5.608 3.851 -4.089 447 HG23 VAL 664 HG23 VAL 664 -6.027 3.105 -2.547 448 H PHE 665 HN PHE 665 -2.462 0.989 -5.254 449 HA PHE 665 HA PHE 665 -0.298 0.139 -3.659 450 HB2 PHE 665 HB2 PHE 665 -1.624 -1.469 -4.891 451 HB3 PHE 665 HB3 PHE 665 -1.157 -0.738 -6.422 452 HD1 PHE 665 HD2 PHE 665 0.663 -1.961 -3.393 453 HD2 PHE 665 HD1 PHE 665 0.283 -2.038 -7.632 454 HE1 PHE 665 HE2 PHE 665 2.581 -3.497 -3.534 455 HE2 PHE 665 HE1 PHE 665 2.199 -3.573 -7.780 456 HZ PHE 665 HZ PHE 665 3.350 -4.303 -5.729 457 H ASP 666 HN ASP 666 -0.403 1.706 -6.850 458 HA ASP 666 HA ASP 666 2.412 1.647 -7.241 459 HB2 ASP 666 HB2 ASP 666 0.137 3.113 -8.531 460 HB3 ASP 666 HB3 ASP 666 1.795 3.567 -8.909 461 H GLN 667 HN GLN 667 0.261 4.384 -6.520 462 HA GLN 667 HA GLN 667 2.126 6.325 -6.050 463 HB2 GLN 667 HB2 GLN 667 -0.613 5.831 -4.936 464 HB3 GLN 667 HB3 GLN 667 0.342 7.193 -4.352 465 HG2 GLN 667 HG2 GLN 667 -0.207 6.723 -7.261 466 HG3 GLN 667 HG3 GLN 667 -1.293 7.641 -6.223 467 HE21 GLN 667 HE21 GLN 667 1.796 7.569 -7.798 468 HE22 GLN 667 HE22 GLN 667 2.192 9.232 -7.557 469 H TYR 668 HN TYR 668 1.217 3.669 -3.943 470 HA TYR 668 HA TYR 668 2.496 4.776 -1.623 471 HB2 TYR 668 HB2 TYR 668 0.689 3.279 -1.208 472 HB3 TYR 668 HB3 TYR 668 1.365 2.062 -2.287 473 HD1 TYR 668 HD2 TYR 668 1.793 3.724 0.975 474 HD2 TYR 668 HD1 TYR 668 2.943 0.469 -1.506 475 HE1 TYR 668 HE2 TYR 668 2.895 2.667 2.890 476 HE2 TYR 668 HE1 TYR 668 4.051 -0.602 0.406 477 HH TYR 668 HH TYR 668 5.036 0.072 2.583 478 H VAL 669 HN VAL 669 3.162 1.933 -3.660 479 HA VAL 669 HA VAL 669 5.643 1.318 -2.601 480 HB VAL 669 HB VAL 669 6.099 0.094 -4.659 481 HG11 VAL 669 HG11 VAL 669 4.086 -1.348 -4.662 482 HG12 VAL 669 HG12 VAL 669 4.677 -0.971 -3.044 483 HG13 VAL 669 HG13 VAL 669 3.263 -0.134 -3.682 484 HG21 VAL 669 HG21 VAL 669 5.315 1.676 -6.301 485 HG22 VAL 669 HG22 VAL 669 4.478 0.138 -6.517 486 HG23 VAL 669 HG23 VAL 669 3.657 1.486 -5.733 487 H LYS 670 HN LYS 670 4.772 3.925 -4.674 488 HA LYS 670 HA LYS 670 7.441 4.329 -5.703 489 HB2 LYS 670 HB2 LYS 670 4.927 5.984 -5.870 490 HB3 LYS 670 HB3 LYS 670 6.458 6.482 -6.577 491 HG2 LYS 670 HG2 LYS 670 6.432 4.317 -7.842 492 HG3 LYS 670 HG3 LYS 670 4.769 4.118 -7.323 493 HD2 LYS 670 HD2 LYS 670 4.241 6.260 -8.362 494 HD3 LYS 670 HD3 LYS 670 5.897 6.402 -8.926 495 HE2 LYS 670 HE2 LYS 670 5.612 4.336 -10.221 496 HE3 LYS 670 HE3 LYS 670 3.941 4.227 -9.668 497 HZ1 LYS 670 HZ1 LYS 670 4.066 5.189 -11.871 498 HZ2 LYS 670 HZ2 LYS 670 5.084 6.420 -11.313 499 HZ3 LYS 670 HZ3 LYS 670 3.486 6.335 -10.770 500 H THR 671 HN THR 671 5.300 6.496 -3.849 501 HA THR 671 HA THR 671 7.350 8.202 -3.008 502 HB THR 671 HB THR 671 4.996 8.849 -2.885 503 HG1 THR 671 HG1 THR 671 5.314 10.063 -1.124 504 HG21 THR 671 HG21 THR 671 4.712 7.103 -0.455 505 HG22 THR 671 HG22 THR 671 4.286 6.530 -2.067 506 HG23 THR 671 HG23 THR 671 3.451 7.923 -1.379 507 H ARG 672 HN ARG 672 6.253 5.159 -1.716 508 HA ARG 672 HA ARG 672 7.553 5.452 0.824 509 HB2 ARG 672 HB2 ARG 672 5.569 3.980 0.455 510 HB3 ARG 672 HB3 ARG 672 6.588 2.915 -0.504 511 HG2 ARG 672 HG2 ARG 672 6.685 1.849 1.502 512 HG3 ARG 672 HG3 ARG 672 8.069 2.926 1.666 513 HD2 ARG 672 HD2 ARG 672 5.294 3.415 2.739 514 HD3 ARG 672 HD3 ARG 672 6.708 2.952 3.685 515 HE ARG 672 HE ARG 672 7.676 5.122 3.071 516 HH11 ARG 672 HH12 ARG 672 4.235 4.694 2.714 517 HH12 ARG 672 HH11 ARG 672 3.884 6.385 2.839 518 HH21 ARG 672 HH22 ARG 672 7.220 7.348 3.235 519 HH22 ARG 672 HH21 ARG 672 5.579 7.893 3.135 520 H ALA 673 HN ALA 673 8.256 3.564 -2.133 521 HA ALA 673 HA ALA 673 10.625 2.391 -1.225 522 HB1 ALA 673 HB1 ALA 673 9.551 1.653 -3.268 523 HB2 ALA 673 HB2 ALA 673 9.891 3.205 -4.035 524 HB3 ALA 673 HB3 ALA 673 11.218 2.127 -3.601 525 H GLU 674 HN GLU 674 10.070 5.481 -2.837 526 HA GLU 674 HA GLU 674 12.764 6.226 -3.121 527 HB2 GLU 674 HB2 GLU 674 10.268 7.913 -2.888 528 HB3 GLU 674 HB3 GLU 674 11.845 8.538 -3.354 529 HG2 GLU 674 HG2 GLU 674 10.345 6.396 -4.845 530 HG3 GLU 674 HG3 GLU 674 10.339 8.108 -5.266 531 H GLU 675 HN GLU 675 10.430 6.828 -0.513 532 HA GLU 675 HA GLU 675 12.194 8.498 0.972 533 HB2 GLU 675 HB2 GLU 675 10.493 8.697 2.522 534 HB3 GLU 675 HB3 GLU 675 9.603 8.319 1.056 535 HG2 GLU 675 HG2 GLU 675 8.572 6.897 2.467 536 HG3 GLU 675 HG3 GLU 675 9.892 5.858 1.947 537 H GLU 676 HN GLU 676 11.523 5.040 1.005 538 HA GLU 676 HA GLU 676 13.120 4.655 3.397 539 HB2 GLU 676 HB2 GLU 676 12.499 2.337 3.266 540 HB3 GLU 676 HB3 GLU 676 11.073 3.312 2.986 541 HG2 GLU 676 HG2 GLU 676 11.361 2.964 0.559 542 HG3 GLU 676 HG3 GLU 676 12.687 1.877 0.933 543 H ARG 677 HN ARG 677 13.694 4.889 0.089 544 HA ARG 677 HA ARG 677 16.053 3.167 0.177 545 HB2 ARG 677 HB2 ARG 677 14.732 2.879 -1.794 546 HB3 ARG 677 HB3 ARG 677 14.661 4.612 -2.079 547 HG2 ARG 677 HG2 ARG 677 17.376 3.528 -2.013 548 HG3 ARG 677 HG3 ARG 677 16.364 2.884 -3.308 549 HD2 ARG 677 HD2 ARG 677 15.903 5.075 -4.134 550 HD3 ARG 677 HD3 ARG 677 16.666 5.823 -2.733 551 HE ARG 677 HE ARG 677 18.473 4.159 -4.189 552 HH11 ARG 677 HH12 ARG 677 16.975 7.305 -4.128 553 HH12 ARG 677 HH11 ARG 677 18.250 8.072 -5.016 554 HH21 ARG 677 HH22 ARG 677 20.156 5.161 -5.359 555 HH22 ARG 677 HH21 ARG 677 20.057 6.853 -5.715 556 H ARG 678 HN ARG 678 15.139 6.479 0.383 557 HA ARG 678 HA ARG 678 17.876 7.375 -0.137 558 HB2 ARG 678 HB2 ARG 678 17.011 9.602 -0.243 559 HB3 ARG 678 HB3 ARG 678 15.941 8.576 -1.181 560 HG2 ARG 678 HG2 ARG 678 14.385 8.492 0.718 561 HG3 ARG 678 HG3 ARG 678 15.447 9.590 1.595 562 HD2 ARG 678 HD2 ARG 678 15.162 11.257 -0.203 563 HD3 ARG 678 HD3 ARG 678 14.032 10.164 -1.002 564 HE ARG 678 HE ARG 678 13.353 10.837 1.724 565 HH11 ARG 678 HH12 ARG 678 12.988 11.653 -1.646 566 HH12 ARG 678 HH11 ARG 678 11.521 12.542 -1.401 567 HH21 ARG 678 HH22 ARG 678 11.425 12.008 2.052 568 HH22 ARG 678 HH21 ARG 678 10.633 12.742 0.697 569 H GLU 679 HN GLU 679 15.599 6.915 2.431 570 HA GLU 679 HA GLU 679 17.244 8.396 4.330 571 HB2 GLU 679 HB2 GLU 679 14.600 6.971 4.635 572 HB3 GLU 679 HB3 GLU 679 15.440 7.769 5.958 573 HG2 GLU 679 HG2 GLU 679 14.461 9.108 3.445 574 HG3 GLU 679 HG3 GLU 679 13.663 9.155 5.016 575 H LYS 680 HN LYS 680 15.797 5.130 4.238 576 HA LYS 680 HA LYS 680 17.782 4.186 6.133 577 HB2 LYS 680 HB2 LYS 680 15.487 2.746 4.795 578 HB3 LYS 680 HB3 LYS 680 16.508 2.070 6.056 579 HG2 LYS 680 HG2 LYS 680 14.824 4.539 6.405 580 HG3 LYS 680 HG3 LYS 680 14.303 2.910 6.844 581 HD2 LYS 680 HD2 LYS 680 16.205 2.727 8.384 582 HD3 LYS 680 HD3 LYS 680 16.706 4.363 7.952 583 HE2 LYS 680 HE2 LYS 680 14.630 5.258 8.834 584 HE3 LYS 680 HE3 LYS 680 14.060 3.629 9.200 585 HZ1 LYS 680 HZ1 LYS 680 14.936 4.737 11.163 586 HZ2 LYS 680 HZ2 LYS 680 16.438 4.934 10.411 587 HZ3 LYS 680 HZ3 LYS 680 15.871 3.381 10.772 588 H LYS 681 HN LYS 681 17.987 4.758 2.993 589 HA LYS 681 HA LYS 681 19.005 3.836 1.160 590 HB2 LYS 681 HB2 LYS 681 21.330 3.278 1.550 591 HB3 LYS 681 HB3 LYS 681 20.871 4.652 2.544 592 HG2 LYS 681 HG2 LYS 681 20.700 3.208 4.493 593 HG3 LYS 681 HG3 LYS 681 21.105 1.805 3.500 594 HD2 LYS 681 HD2 LYS 681 23.285 2.792 2.994 595 HD3 LYS 681 HD3 LYS 681 22.877 4.203 3.972 596 HE2 LYS 681 HE2 LYS 681 23.118 1.364 4.964 597 HE3 LYS 681 HE3 LYS 681 24.302 2.649 5.205 598 HZ1 LYS 681 HZ1 LYS 681 22.648 3.882 6.467 599 HZ2 LYS 681 HZ2 LYS 681 22.911 2.359 7.153 600 HZ3 LYS 681 HZ3 LYS 681 21.517 2.643 6.239 601 H ASN 682 HN ASN 682 20.880 1.567 1.216 602 HA ASN 682 HA ASN 682 19.002 -0.494 0.633 603 HB2 ASN 682 HB2 ASN 682 22.017 -0.447 0.770 604 HB3 ASN 682 HB3 ASN 682 21.111 -1.900 0.363 605 HD21 ASN 682 HD21 ASN 682 20.172 1.346 -0.570 606 HD22 ASN 682 HD22 ASN 682 20.435 1.137 -2.262 607 H LYS 683 HN LYS 683 17.860 -1.150 2.406 608 HA LYS 683 HA LYS 683 19.389 -2.614 4.435 609 HB2 LYS 683 HB2 LYS 683 18.825 -0.418 5.400 610 HB3 LYS 683 HB3 LYS 683 17.125 -0.708 5.060 611 HG2 LYS 683 HG2 LYS 683 17.560 -1.127 7.384 612 HG3 LYS 683 HG3 LYS 683 17.183 -2.651 6.579 613 HD2 LYS 683 HD2 LYS 683 19.042 -2.997 8.068 614 HD3 LYS 683 HD3 LYS 683 19.619 -3.104 6.405 615 HE2 LYS 683 HE2 LYS 683 20.415 -0.786 6.546 616 HE3 LYS 683 HE3 LYS 683 19.858 -0.702 8.217 617 HZ1 LYS 683 HZ1 LYS 683 21.406 -2.480 8.776 618 HZ2 LYS 683 HZ2 LYS 683 22.220 -1.156 8.110 619 HZ3 LYS 683 HZ3 LYS 683 21.948 -2.537 7.174 Start of MODEL 7 1 H1 GLY 613 H1 GLY 613 -10.195 15.559 10.036 2 H2 GLY 613 H2 GLY 613 -10.675 15.597 11.658 3 H3 GLY 613 H3 GLY 613 -11.823 15.345 10.443 4 HA2 GLY 613 HA2 GLY 613 -9.604 13.495 11.132 5 HA3 GLY 613 HA1 GLY 613 -11.287 13.276 11.590 6 H ALA 614 HN ALA 614 -9.748 14.275 8.539 7 HA ALA 614 HA ALA 614 -9.976 13.521 6.406 8 HB1 ALA 614 HB1 ALA 614 -10.320 10.853 7.769 9 HB2 ALA 614 HB2 ALA 614 -9.924 11.106 6.070 10 HB3 ALA 614 HB3 ALA 614 -8.783 11.596 7.322 11 H MET 615 HN MET 615 -12.005 14.751 6.343 12 HA MET 615 HA MET 615 -14.466 13.228 6.557 13 HB2 MET 615 HB2 MET 615 -14.018 16.093 5.706 14 HB3 MET 615 HB3 MET 615 -15.577 15.350 6.033 15 HG2 MET 615 HG2 MET 615 -14.824 14.949 8.368 16 HG3 MET 615 HG3 MET 615 -13.364 15.865 8.003 17 HE1 MET 615 HE1 MET 615 -17.626 17.629 8.015 18 HE2 MET 615 HE2 MET 615 -17.072 16.468 6.808 19 HE3 MET 615 HE3 MET 615 -17.241 15.976 8.493 20 H GLY 616 HN GLY 616 -15.833 12.708 4.868 21 HA2 GLY 616 HA1 GLY 616 -16.137 13.364 2.357 22 HA3 GLY 616 HA2 GLY 616 -14.541 12.637 2.234 23 H SER 617 HN SER 617 -15.085 10.909 0.963 24 HA SER 617 HA SER 617 -16.600 8.801 2.301 25 HB2 SER 617 HB2 SER 617 -17.161 9.704 -0.534 26 HB3 SER 617 HB3 SER 617 -17.855 8.277 0.236 27 HG SER 617 HG SER 617 -18.128 10.858 1.351 28 H LEU 618 HN LEU 618 -15.385 9.144 -1.019 29 HA LEU 618 HA LEU 618 -14.157 6.599 -1.023 30 HB2 LEU 618 HB2 LEU 618 -14.868 7.654 -3.083 31 HB3 LEU 618 HB3 LEU 618 -13.754 8.985 -2.826 32 HG LEU 618 HG LEU 618 -11.925 7.129 -2.881 33 HD11 LEU 618 HD11 LEU 618 -14.220 5.779 -4.287 34 HD12 LEU 618 HD12 LEU 618 -12.532 5.277 -4.400 35 HD13 LEU 618 HD13 LEU 618 -13.369 5.212 -2.850 36 HD21 LEU 618 HD21 LEU 618 -13.394 8.038 -5.349 37 HD22 LEU 618 HD22 LEU 618 -12.100 8.900 -4.516 38 HD23 LEU 618 HD23 LEU 618 -11.763 7.367 -5.319 39 H GLU 619 HN GLU 619 -13.016 9.800 -0.235 40 HA GLU 619 HA GLU 619 -10.253 9.383 -0.374 41 HB2 GLU 619 HB2 GLU 619 -11.642 11.109 1.676 42 HB3 GLU 619 HB3 GLU 619 -10.020 11.310 1.034 43 HG2 GLU 619 HG2 GLU 619 -11.023 11.762 -1.191 44 HG3 GLU 619 HG3 GLU 619 -12.608 11.697 -0.423 45 H ALA 620 HN ALA 620 -12.522 8.937 2.303 46 HA ALA 620 HA ALA 620 -10.626 8.206 4.215 47 HB1 ALA 620 HB1 ALA 620 -12.891 8.850 4.811 48 HB2 ALA 620 HB2 ALA 620 -13.516 7.385 4.052 49 HB3 ALA 620 HB3 ALA 620 -12.487 7.267 5.480 50 H ARG 621 HN ARG 621 -12.477 6.256 1.913 51 HA ARG 621 HA ARG 621 -11.636 3.737 2.882 52 HB2 ARG 621 HB2 ARG 621 -13.598 4.059 1.414 53 HB3 ARG 621 HB3 ARG 621 -12.527 4.499 0.092 54 HG2 ARG 621 HG2 ARG 621 -11.564 2.281 0.107 55 HG3 ARG 621 HG3 ARG 621 -12.547 1.847 1.494 56 HD2 ARG 621 HD2 ARG 621 -13.264 1.223 -0.976 57 HD3 ARG 621 HD3 ARG 621 -14.447 1.621 0.266 58 HE ARG 621 HE ARG 621 -13.502 3.817 -1.386 59 HH11 ARG 621 HH12 ARG 621 -15.966 1.436 -0.756 60 HH12 ARG 621 HH11 ARG 621 -17.188 2.272 -1.654 61 HH21 ARG 621 HH22 ARG 621 -15.114 4.929 -2.570 62 HH22 ARG 621 HH21 ARG 621 -16.704 4.255 -2.683 63 H MET 622 HN MET 622 -10.433 5.845 0.315 64 HA MET 622 HA MET 622 -8.318 4.128 -0.474 65 HB2 MET 622 HB2 MET 622 -9.369 6.039 -1.806 66 HB3 MET 622 HB3 MET 622 -8.380 7.119 -0.830 67 HG2 MET 622 HG2 MET 622 -6.404 5.704 -1.592 68 HG3 MET 622 HG3 MET 622 -7.505 5.048 -2.801 69 HE1 MET 622 HE1 MET 622 -4.694 6.630 -3.253 70 HE2 MET 622 HE2 MET 622 -5.622 5.849 -4.534 71 HE3 MET 622 HE3 MET 622 -5.111 7.530 -4.711 72 H LYS 623 HN LYS 623 -8.789 6.183 2.163 73 HA LYS 623 HA LYS 623 -5.998 6.733 2.650 74 HB2 LYS 623 HB2 LYS 623 -8.565 7.601 3.799 75 HB3 LYS 623 HB3 LYS 623 -7.255 7.439 4.958 76 HG2 LYS 623 HG2 LYS 623 -7.104 9.074 2.434 77 HG3 LYS 623 HG3 LYS 623 -7.490 9.719 4.031 78 HD2 LYS 623 HD2 LYS 623 -5.298 10.007 4.328 79 HD3 LYS 623 HD3 LYS 623 -5.166 8.251 4.425 80 HE2 LYS 623 HE2 LYS 623 -4.894 8.209 1.943 81 HE3 LYS 623 HE3 LYS 623 -4.846 9.970 1.970 82 HZ1 LYS 623 HZ1 LYS 623 -2.941 8.160 3.354 83 HZ2 LYS 623 HZ2 LYS 623 -2.899 9.850 3.407 84 HZ3 LYS 623 HZ3 LYS 623 -2.626 9.043 1.945 85 H GLN 624 HN GLN 624 -8.585 5.029 4.396 86 HA GLN 624 HA GLN 624 -6.924 3.807 6.261 87 HB2 GLN 624 HB2 GLN 624 -8.744 2.419 6.829 88 HB3 GLN 624 HB3 GLN 624 -9.445 3.936 6.299 89 HG2 GLN 624 HG2 GLN 624 -9.512 2.798 4.006 90 HG3 GLN 624 HG3 GLN 624 -9.431 1.319 4.953 91 HE21 GLN 624 HE21 GLN 624 -11.222 4.331 4.618 92 HE22 GLN 624 HE22 GLN 624 -12.740 3.705 5.160 93 H PHE 625 HN PHE 625 -7.385 3.247 2.930 94 HA PHE 625 HA PHE 625 -6.584 0.522 2.963 95 HB2 PHE 625 HB2 PHE 625 -7.952 1.687 1.130 96 HB3 PHE 625 HB3 PHE 625 -6.417 2.346 0.569 97 HD1 PHE 625 HD1 PHE 625 -8.308 -0.765 1.129 98 HD2 PHE 625 HD2 PHE 625 -4.898 1.021 -0.677 99 HE1 PHE 625 HE1 PHE 625 -7.904 -2.832 -0.143 100 HE2 PHE 625 HE2 PHE 625 -4.487 -1.042 -1.954 101 HZ PHE 625 HZ PHE 625 -5.993 -2.974 -1.684 102 H LYS 626 HN LYS 626 -5.061 3.589 2.041 103 HA LYS 626 HA LYS 626 -2.507 2.622 1.477 104 HB2 LYS 626 HB2 LYS 626 -3.505 4.982 1.141 105 HB3 LYS 626 HB3 LYS 626 -3.005 5.285 2.796 106 HG2 LYS 626 HG2 LYS 626 -1.070 4.308 0.724 107 HG3 LYS 626 HG3 LYS 626 -1.446 6.020 0.909 108 HD2 LYS 626 HD2 LYS 626 -0.346 4.212 3.064 109 HD3 LYS 626 HD3 LYS 626 0.580 5.395 2.140 110 HE2 LYS 626 HE2 LYS 626 -0.851 7.184 3.042 111 HE3 LYS 626 HE3 LYS 626 -1.722 5.988 3.999 112 HZ1 LYS 626 HZ1 LYS 626 -0.029 7.128 5.300 113 HZ2 LYS 626 HZ2 LYS 626 1.176 6.598 4.236 114 HZ3 LYS 626 HZ3 LYS 626 0.320 5.477 5.170 115 H ASP 627 HN ASP 627 -4.023 3.537 4.525 116 HA ASP 627 HA ASP 627 -1.754 3.436 6.169 117 HB2 ASP 627 HB2 ASP 627 -4.651 2.865 6.829 118 HB3 ASP 627 HB3 ASP 627 -3.377 3.068 8.029 119 H MET 628 HN MET 628 -4.185 0.929 5.452 120 HA MET 628 HA MET 628 -3.059 -1.127 6.962 121 HB2 MET 628 HB2 MET 628 -5.284 -1.326 5.993 122 HB3 MET 628 HB3 MET 628 -4.608 -1.296 4.370 123 HG2 MET 628 HG2 MET 628 -3.284 -3.384 5.184 124 HG3 MET 628 HG3 MET 628 -4.543 -3.469 6.409 125 HE1 MET 628 HE1 MET 628 -5.445 -3.608 1.882 126 HE2 MET 628 HE2 MET 628 -5.067 -2.119 2.747 127 HE3 MET 628 HE3 MET 628 -3.829 -3.358 2.541 128 H LEU 629 HN LEU 629 -2.345 0.017 3.720 129 HA LEU 629 HA LEU 629 -0.706 -2.034 2.813 130 HB2 LEU 629 HB2 LEU 629 -1.108 0.815 2.197 131 HB3 LEU 629 HB3 LEU 629 0.459 0.183 1.744 132 HG LEU 629 HG LEU 629 -0.536 -1.438 0.276 133 HD11 LEU 629 HD11 LEU 629 -2.915 -1.694 -0.010 134 HD12 LEU 629 HD12 LEU 629 -2.504 -1.965 1.684 135 HD13 LEU 629 HD13 LEU 629 -3.229 -0.436 1.183 136 HD21 LEU 629 HD21 LEU 629 -1.651 0.026 -1.320 137 HD22 LEU 629 HD22 LEU 629 -1.883 1.234 -0.054 138 HD23 LEU 629 HD23 LEU 629 -0.255 0.826 -0.597 139 H LEU 630 HN LEU 630 0.110 0.843 4.718 140 HA LEU 630 HA LEU 630 2.890 0.064 4.933 141 HB2 LEU 630 HB2 LEU 630 2.213 2.426 4.777 142 HB3 LEU 630 HB3 LEU 630 1.398 2.273 6.324 143 HG LEU 630 HG LEU 630 4.181 1.416 6.428 144 HD11 LEU 630 HD11 LEU 630 5.146 3.630 6.250 145 HD12 LEU 630 HD12 LEU 630 4.404 3.137 4.726 146 HD13 LEU 630 HD13 LEU 630 3.579 4.289 5.778 147 HD21 LEU 630 HD21 LEU 630 4.164 2.831 8.406 148 HD22 LEU 630 HD22 LEU 630 2.580 3.461 7.953 149 HD23 LEU 630 HD23 LEU 630 2.764 1.759 8.377 150 H GLU 631 HN GLU 631 0.012 -0.659 6.533 151 HA GLU 631 HA GLU 631 0.982 -0.890 9.183 152 HB2 GLU 631 HB2 GLU 631 -1.478 -0.936 8.106 153 HB3 GLU 631 HB3 GLU 631 -1.228 -2.664 8.311 154 HG2 GLU 631 HG2 GLU 631 -0.782 -2.323 10.682 155 HG3 GLU 631 HG3 GLU 631 -1.003 -0.587 10.475 156 H ARG 632 HN ARG 632 0.555 -3.285 6.558 157 HA ARG 632 HA ARG 632 2.030 -5.240 8.179 158 HB2 ARG 632 HB2 ARG 632 0.704 -5.627 5.485 159 HB3 ARG 632 HB3 ARG 632 1.384 -6.889 6.502 160 HG2 ARG 632 HG2 ARG 632 -0.804 -7.124 7.007 161 HG3 ARG 632 HG3 ARG 632 -0.347 -5.950 8.241 162 HD2 ARG 632 HD2 ARG 632 -1.068 -4.148 6.651 163 HD3 ARG 632 HD3 ARG 632 -1.710 -5.416 5.612 164 HE ARG 632 HE ARG 632 -3.556 -5.383 6.925 165 HH11 ARG 632 HH12 ARG 632 -0.831 -4.531 8.933 166 HH12 ARG 632 HH11 ARG 632 -1.782 -4.381 10.373 167 HH21 ARG 632 HH22 ARG 632 -4.805 -5.185 8.815 168 HH22 ARG 632 HH21 ARG 632 -4.037 -4.751 10.306 169 H GLY 633 HN GLY 633 2.571 -2.843 6.001 170 HA2 GLY 633 HA1 GLY 633 4.484 -2.176 4.925 171 HA3 GLY 633 HA2 GLY 633 5.290 -3.603 5.573 172 H VAL 634 HN VAL 634 3.227 -2.393 3.032 173 HA VAL 634 HA VAL 634 3.381 -4.784 1.464 174 HB VAL 634 HB VAL 634 2.306 -2.019 0.861 175 HG11 VAL 634 HG11 VAL 634 1.276 -3.388 -1.143 176 HG12 VAL 634 HG12 VAL 634 2.862 -2.627 -1.275 177 HG13 VAL 634 HG13 VAL 634 2.739 -4.350 -0.933 178 HG21 VAL 634 HG21 VAL 634 0.957 -3.325 2.400 179 HG22 VAL 634 HG22 VAL 634 0.137 -3.180 0.845 180 HG23 VAL 634 HG23 VAL 634 0.953 -4.684 1.276 181 H SER 635 HN SER 635 5.675 -4.824 1.709 182 HA SER 635 HA SER 635 7.744 -3.439 1.199 183 HB2 SER 635 HB2 SER 635 7.954 -5.787 1.180 184 HB3 SER 635 HB3 SER 635 7.009 -5.931 -0.298 185 HG SER 635 HG SER 635 9.441 -4.494 -0.239 186 H ALA 636 HN ALA 636 7.794 -1.573 0.199 187 HA ALA 636 HA ALA 636 6.500 -0.843 -2.142 188 HB1 ALA 636 HB1 ALA 636 7.503 0.631 -0.374 189 HB2 ALA 636 HB2 ALA 636 9.068 0.354 -1.144 190 HB3 ALA 636 HB3 ALA 636 7.773 1.147 -2.043 191 H PHE 637 HN PHE 637 8.888 -3.091 -1.898 192 HA PHE 637 HA PHE 637 9.526 -2.845 -4.741 193 HB2 PHE 637 HB2 PHE 637 11.897 -3.765 -3.913 194 HB3 PHE 637 HB3 PHE 637 11.560 -2.046 -4.079 195 HD1 PHE 637 HD1 PHE 637 11.486 -4.807 -1.585 196 HD2 PHE 637 HD2 PHE 637 11.877 -0.628 -2.285 197 HE1 PHE 637 HE1 PHE 637 12.051 -4.467 0.786 198 HE2 PHE 637 HE2 PHE 637 12.443 -0.281 0.083 199 HZ PHE 637 HZ PHE 637 12.530 -2.200 1.622 200 H SER 638 HN SER 638 7.646 -4.501 -4.202 201 HA SER 638 HA SER 638 8.858 -7.137 -4.433 202 HB2 SER 638 HB2 SER 638 6.978 -6.329 -2.245 203 HB3 SER 638 HB3 SER 638 6.975 -7.987 -2.840 204 HG SER 638 HG SER 638 8.425 -7.461 -1.013 205 H THR 639 HN THR 639 6.816 -8.778 -4.610 206 HA THR 639 HA THR 639 5.362 -7.790 -6.937 207 HB THR 639 HB THR 639 6.332 -9.870 -7.390 208 HG1 THR 639 HG1 THR 639 4.388 -11.313 -7.397 209 HG21 THR 639 HG21 THR 639 6.913 -10.568 -5.149 210 HG22 THR 639 HG22 THR 639 6.024 -11.863 -5.950 211 HG23 THR 639 HG23 THR 639 5.214 -10.841 -4.764 212 H TRP 640 HN TRP 640 3.321 -7.290 -6.938 213 HA TRP 640 HA TRP 640 1.774 -6.722 -4.836 214 HB2 TRP 640 HB2 TRP 640 1.124 -5.969 -6.969 215 HB3 TRP 640 HB3 TRP 640 1.011 -7.605 -7.603 216 HD1 TRP 640 HD1 TRP 640 -1.242 -8.893 -7.264 217 HE1 TRP 640 HE1 TRP 640 -3.586 -8.164 -6.459 218 HE3 TRP 640 HE3 TRP 640 -0.042 -4.362 -5.229 219 HZ2 TRP 640 HZ2 TRP 640 -4.755 -5.973 -5.136 220 HZ3 TRP 640 HZ3 TRP 640 -1.832 -3.015 -4.204 221 HH2 TRP 640 HH2 TRP 640 -4.138 -3.806 -4.162 222 H GLU 641 HN GLU 641 2.312 -9.973 -5.972 223 HA GLU 641 HA GLU 641 -0.026 -11.085 -4.743 224 HB2 GLU 641 HB2 GLU 641 2.530 -12.405 -5.677 225 HB3 GLU 641 HB3 GLU 641 1.110 -13.278 -5.121 226 HG2 GLU 641 HG2 GLU 641 -0.192 -12.381 -6.956 227 HG3 GLU 641 HG3 GLU 641 1.191 -11.431 -7.497 228 H LYS 642 HN LYS 642 3.404 -10.996 -3.875 229 HA LYS 642 HA LYS 642 3.130 -12.277 -1.384 230 HB2 LYS 642 HB2 LYS 642 5.109 -10.208 -2.364 231 HB3 LYS 642 HB3 LYS 642 5.223 -10.955 -0.778 232 HG2 LYS 642 HG2 LYS 642 5.381 -13.166 -1.871 233 HG3 LYS 642 HG3 LYS 642 5.379 -12.354 -3.437 234 HD2 LYS 642 HD2 LYS 642 7.415 -11.139 -2.793 235 HD3 LYS 642 HD3 LYS 642 7.422 -11.988 -1.246 236 HE2 LYS 642 HE2 LYS 642 7.611 -14.128 -2.456 237 HE3 LYS 642 HE3 LYS 642 7.677 -13.241 -3.978 238 HZ1 LYS 642 HZ1 LYS 642 9.887 -13.822 -3.248 239 HZ2 LYS 642 HZ2 LYS 642 9.644 -13.055 -1.761 240 HZ3 LYS 642 HZ3 LYS 642 9.696 -12.142 -3.184 241 H GLU 643 HN GLU 643 2.716 -9.046 -2.540 242 HA GLU 643 HA GLU 643 2.301 -7.759 -0.082 243 HB2 GLU 643 HB2 GLU 643 1.097 -6.934 -2.713 244 HB3 GLU 643 HB3 GLU 643 1.527 -5.904 -1.359 245 HG2 GLU 643 HG2 GLU 643 3.372 -7.304 -3.266 246 HG3 GLU 643 HG3 GLU 643 3.166 -5.573 -3.043 247 H LEU 644 HN LEU 644 0.288 -9.638 -2.198 248 HA LEU 644 HA LEU 644 -2.232 -8.890 -1.253 249 HB2 LEU 644 HB2 LEU 644 -1.185 -11.046 -2.828 250 HB3 LEU 644 HB3 LEU 644 -2.313 -11.676 -1.665 251 HG LEU 644 HG LEU 644 -4.003 -10.084 -2.506 252 HD11 LEU 644 HD11 LEU 644 -2.531 -8.394 -3.409 253 HD12 LEU 644 HD12 LEU 644 -1.929 -9.537 -4.609 254 HD13 LEU 644 HD13 LEU 644 -3.610 -9.006 -4.663 255 HD21 LEU 644 HD21 LEU 644 -4.427 -11.315 -4.584 256 HD22 LEU 644 HD22 LEU 644 -2.791 -11.972 -4.507 257 HD23 LEU 644 HD23 LEU 644 -3.963 -12.379 -3.255 258 H HIS 645 HN HIS 645 -0.750 -12.016 -0.461 259 HA HIS 645 HA HIS 645 -2.300 -12.634 1.656 260 HB2 HIS 645 HB2 HIS 645 -0.584 -14.087 2.507 261 HB3 HIS 645 HB3 HIS 645 -0.546 -14.118 0.751 262 HD2 HIS 645 HD2 HIS 645 1.858 -13.651 -0.338 263 HE1 HIS 645 HE1 HIS 645 3.745 -12.235 3.174 264 HE2 HIS 645 HE2 HIS 645 4.047 -12.736 0.709 265 H LYS 646 HN LYS 646 0.490 -10.478 1.795 266 HA LYS 646 HA LYS 646 0.667 -10.176 4.551 267 HB2 LYS 646 HB2 LYS 646 1.261 -8.282 2.299 268 HB3 LYS 646 HB3 LYS 646 1.520 -7.823 3.977 269 HG2 LYS 646 HG2 LYS 646 2.931 -9.919 4.180 270 HG3 LYS 646 HG3 LYS 646 2.858 -10.009 2.421 271 HD2 LYS 646 HD2 LYS 646 3.838 -7.594 3.932 272 HD3 LYS 646 HD3 LYS 646 4.898 -8.878 3.344 273 HE2 LYS 646 HE2 LYS 646 3.855 -8.433 1.052 274 HE3 LYS 646 HE3 LYS 646 3.236 -6.942 1.761 275 HZ1 LYS 646 HZ1 LYS 646 6.083 -7.739 1.498 276 HZ2 LYS 646 HZ2 LYS 646 5.556 -6.379 2.351 277 HZ3 LYS 646 HZ3 LYS 646 5.299 -6.480 0.683 278 H ILE 647 HN ILE 647 -1.407 -8.349 2.305 279 HA ILE 647 HA ILE 647 -2.670 -7.015 4.590 280 HB ILE 647 HB ILE 647 -3.769 -5.614 2.867 281 HG12 ILE 647 HG12 ILE 647 -2.270 -7.511 1.097 282 HG13 ILE 647 HG13 ILE 647 -3.924 -6.934 0.956 283 HG21 ILE 647 HG21 ILE 647 -0.762 -5.749 2.649 284 HG22 ILE 647 HG22 ILE 647 -1.775 -4.349 2.293 285 HG23 ILE 647 HG23 ILE 647 -1.658 -4.957 3.944 286 HD11 ILE 647 HD11 ILE 647 -2.526 -6.071 -0.807 287 HD12 ILE 647 HD12 ILE 647 -3.102 -4.766 0.232 288 HD13 ILE 647 HD13 ILE 647 -1.443 -5.347 0.385 289 H VAL 648 HN VAL 648 -3.587 -8.944 1.757 290 HA VAL 648 HA VAL 648 -6.286 -8.977 1.875 291 HB VAL 648 HB VAL 648 -6.307 -11.051 0.733 292 HG11 VAL 648 HG11 VAL 648 -4.254 -10.771 -0.800 293 HG12 VAL 648 HG12 VAL 648 -5.500 -9.526 -0.747 294 HG13 VAL 648 HG13 VAL 648 -3.994 -9.300 0.136 295 HG21 VAL 648 HG21 VAL 648 -3.670 -11.532 2.053 296 HG22 VAL 648 HG22 VAL 648 -5.126 -12.525 2.097 297 HG23 VAL 648 HG23 VAL 648 -4.169 -12.429 0.619 298 H PHE 649 HN PHE 649 -4.119 -10.624 4.135 299 HA PHE 649 HA PHE 649 -5.978 -12.360 5.300 300 HB2 PHE 649 HB2 PHE 649 -4.483 -12.601 7.047 301 HB3 PHE 649 HB3 PHE 649 -3.418 -11.921 5.821 302 HD1 PHE 649 HD1 PHE 649 -3.420 -9.241 5.826 303 HD2 PHE 649 HD2 PHE 649 -4.337 -11.727 9.155 304 HE1 PHE 649 HE1 PHE 649 -2.830 -7.405 7.352 305 HE2 PHE 649 HE2 PHE 649 -3.751 -9.894 10.688 306 HZ PHE 649 HZ PHE 649 -3.002 -7.740 9.801 307 H ASP 650 HN ASP 650 -6.108 -9.106 4.962 308 HA ASP 650 HA ASP 650 -7.963 -8.650 7.192 309 HB2 ASP 650 HB2 ASP 650 -5.729 -7.156 6.220 310 HB3 ASP 650 HB3 ASP 650 -7.178 -6.229 5.882 311 HA PRO 651 HA PRO 651 -11.034 -8.006 4.029 312 HB2 PRO 651 HB2 PRO 651 -12.922 -6.674 5.378 313 HB3 PRO 651 HB3 PRO 651 -12.516 -8.346 5.788 314 HG2 PRO 651 HG2 PRO 651 -11.693 -5.809 7.134 315 HG3 PRO 651 HG3 PRO 651 -12.179 -7.353 7.858 316 HD2 PRO 651 HD2 PRO 651 -9.561 -6.522 7.525 317 HD3 PRO 651 HD3 PRO 651 -10.068 -8.213 7.706 318 H ARG 652 HN ARG 652 -9.202 -5.486 5.297 319 HA ARG 652 HA ARG 652 -10.521 -3.294 4.014 320 HB2 ARG 652 HB2 ARG 652 -7.628 -3.434 4.856 321 HB3 ARG 652 HB3 ARG 652 -8.585 -1.989 4.592 322 HG2 ARG 652 HG2 ARG 652 -9.994 -2.641 6.525 323 HG3 ARG 652 HG3 ARG 652 -8.888 -3.986 6.819 324 HD2 ARG 652 HD2 ARG 652 -7.093 -2.033 6.694 325 HD3 ARG 652 HD3 ARG 652 -8.477 -1.068 7.190 326 HE ARG 652 HE ARG 652 -8.088 -3.423 8.784 327 HH11 ARG 652 HH12 ARG 652 -7.185 -0.086 8.347 328 HH12 ARG 652 HH11 ARG 652 -6.730 0.141 10.002 329 HH21 ARG 652 HH22 ARG 652 -7.491 -3.133 10.965 330 HH22 ARG 652 HH21 ARG 652 -6.902 -1.591 11.490 331 H TYR 653 HN TYR 653 -8.478 -5.827 3.002 332 HA TYR 653 HA TYR 653 -7.164 -4.534 0.877 333 HB2 TYR 653 HB2 TYR 653 -6.154 -6.534 1.536 334 HB3 TYR 653 HB3 TYR 653 -7.685 -7.396 1.600 335 HD1 TYR 653 HD2 TYR 653 -5.106 -6.040 -0.647 336 HD2 TYR 653 HD1 TYR 653 -8.521 -8.551 -0.335 337 HE1 TYR 653 HE2 TYR 653 -4.647 -6.931 -2.883 338 HE2 TYR 653 HE1 TYR 653 -8.074 -9.447 -2.572 339 HH TYR 653 HH TYR 653 -6.887 -8.733 -4.642 340 H LEU 654 HN LEU 654 -10.334 -5.601 1.377 341 HA LEU 654 HA LEU 654 -10.959 -5.566 -1.490 342 HB2 LEU 654 HB2 LEU 654 -12.756 -6.440 0.764 343 HB3 LEU 654 HB3 LEU 654 -12.966 -6.742 -0.948 344 HG LEU 654 HG LEU 654 -10.737 -7.899 0.719 345 HD11 LEU 654 HD11 LEU 654 -12.854 -8.796 1.457 346 HD12 LEU 654 HD12 LEU 654 -13.322 -9.137 -0.210 347 HD13 LEU 654 HD13 LEU 654 -11.981 -10.013 0.526 348 HD21 LEU 654 HD21 LEU 654 -10.162 -7.662 -1.632 349 HD22 LEU 654 HD22 LEU 654 -10.393 -9.360 -1.215 350 HD23 LEU 654 HD23 LEU 654 -11.651 -8.490 -2.094 351 H LEU 655 HN LEU 655 -10.401 -3.145 -0.131 352 HA LEU 655 HA LEU 655 -12.948 -1.896 0.457 353 HB2 LEU 655 HB2 LEU 655 -10.095 -0.998 0.553 354 HB3 LEU 655 HB3 LEU 655 -11.398 0.166 0.660 355 HG LEU 655 HG LEU 655 -11.040 -2.165 2.540 356 HD11 LEU 655 HD11 LEU 655 -9.223 -0.520 2.737 357 HD12 LEU 655 HD12 LEU 655 -10.420 0.753 2.975 358 HD13 LEU 655 HD13 LEU 655 -10.265 -0.544 4.161 359 HD21 LEU 655 HD21 LEU 655 -13.337 -1.504 2.390 360 HD22 LEU 655 HD22 LEU 655 -12.677 -0.896 3.908 361 HD23 LEU 655 HD23 LEU 655 -12.905 0.198 2.544 362 H LEU 656 HN LEU 656 -10.304 -0.580 -1.518 363 HA LEU 656 HA LEU 656 -12.140 0.839 -3.163 364 HB2 LEU 656 HB2 LEU 656 -9.172 0.392 -3.342 365 HB3 LEU 656 HB3 LEU 656 -10.046 1.253 -4.582 366 HG LEU 656 HG LEU 656 -9.097 2.890 -3.181 367 HD11 LEU 656 HD11 LEU 656 -11.930 2.618 -2.220 368 HD12 LEU 656 HD12 LEU 656 -10.985 4.098 -2.395 369 HD13 LEU 656 HD13 LEU 656 -11.485 3.197 -3.827 370 HD21 LEU 656 HD21 LEU 656 -10.157 1.252 -0.895 371 HD22 LEU 656 HD22 LEU 656 -8.480 1.661 -1.260 372 HD23 LEU 656 HD23 LEU 656 -9.594 2.914 -0.714 373 H ASN 657 HN ASN 657 -11.811 0.740 -5.617 374 HA ASN 657 HA ASN 657 -12.518 -1.955 -6.454 375 HB2 ASN 657 HB2 ASN 657 -12.540 -0.029 -8.595 376 HB3 ASN 657 HB3 ASN 657 -13.898 -0.876 -7.859 377 HD21 ASN 657 HD21 ASN 657 -14.899 0.068 -6.006 378 HD22 ASN 657 HD22 ASN 657 -14.836 1.776 -5.755 379 HA PRO 658 HA PRO 658 -8.858 -3.165 -8.623 380 HB2 PRO 658 HB2 PRO 658 -9.646 -3.216 -11.293 381 HB3 PRO 658 HB3 PRO 658 -9.861 -4.535 -10.136 382 HG2 PRO 658 HG2 PRO 658 -11.793 -2.398 -10.954 383 HG3 PRO 658 HG3 PRO 658 -12.084 -4.137 -10.729 384 HD2 PRO 658 HD2 PRO 658 -12.833 -2.438 -8.856 385 HD3 PRO 658 HD3 PRO 658 -12.013 -3.944 -8.382 386 H LYS 659 HN LYS 659 -10.333 -0.186 -9.262 387 HA LYS 659 HA LYS 659 -8.145 0.742 -10.974 388 HB2 LYS 659 HB2 LYS 659 -10.363 1.324 -11.756 389 HB3 LYS 659 HB3 LYS 659 -10.775 2.017 -10.192 390 HG2 LYS 659 HG2 LYS 659 -10.320 3.786 -11.743 391 HG3 LYS 659 HG3 LYS 659 -9.032 3.734 -10.538 392 HD2 LYS 659 HD2 LYS 659 -7.894 2.168 -12.339 393 HD3 LYS 659 HD3 LYS 659 -8.963 3.048 -13.434 394 HE2 LYS 659 HE2 LYS 659 -6.959 4.266 -11.541 395 HE3 LYS 659 HE3 LYS 659 -6.772 4.115 -13.288 396 HZ1 LYS 659 HZ1 LYS 659 -7.492 6.331 -12.678 397 HZ2 LYS 659 HZ2 LYS 659 -8.857 5.709 -11.896 398 HZ3 LYS 659 HZ3 LYS 659 -8.700 5.553 -13.573 399 H GLU 660 HN GLU 660 -9.976 1.978 -8.179 400 HA GLU 660 HA GLU 660 -8.050 3.853 -7.392 401 HB2 GLU 660 HB2 GLU 660 -10.183 2.473 -5.759 402 HB3 GLU 660 HB3 GLU 660 -9.262 3.869 -5.220 403 HG2 GLU 660 HG2 GLU 660 -11.111 3.779 -7.594 404 HG3 GLU 660 HG3 GLU 660 -11.463 4.509 -6.028 405 H ARG 661 HN ARG 661 -8.243 0.431 -6.898 406 HA ARG 661 HA ARG 661 -6.455 0.363 -4.655 407 HB2 ARG 661 HB2 ARG 661 -7.346 -1.810 -6.556 408 HB3 ARG 661 HB3 ARG 661 -6.352 -2.087 -5.132 409 HG2 ARG 661 HG2 ARG 661 -8.331 -0.827 -3.939 410 HG3 ARG 661 HG3 ARG 661 -9.233 -1.415 -5.332 411 HD2 ARG 661 HD2 ARG 661 -7.780 -2.981 -3.234 412 HD3 ARG 661 HD3 ARG 661 -9.483 -3.058 -3.674 413 HE ARG 661 HE ARG 661 -8.783 -4.123 -5.762 414 HH11 ARG 661 HH12 ARG 661 -6.512 -4.029 -3.128 415 HH12 ARG 661 HH11 ARG 661 -5.606 -5.393 -3.690 416 HH21 ARG 661 HH22 ARG 661 -7.600 -5.925 -6.511 417 HH22 ARG 661 HH21 ARG 661 -6.226 -6.474 -5.611 418 H LYS 662 HN LYS 662 -6.139 0.044 -8.140 419 HA LYS 662 HA LYS 662 -3.469 -0.828 -8.212 420 HB2 LYS 662 HB2 LYS 662 -4.939 -0.956 -10.159 421 HB3 LYS 662 HB3 LYS 662 -5.024 0.798 -10.233 422 HG2 LYS 662 HG2 LYS 662 -2.343 -0.470 -10.369 423 HG3 LYS 662 HG3 LYS 662 -3.397 -0.592 -11.778 424 HD2 LYS 662 HD2 LYS 662 -3.041 1.542 -12.332 425 HD3 LYS 662 HD3 LYS 662 -3.366 2.093 -10.687 426 HE2 LYS 662 HE2 LYS 662 -1.087 1.546 -10.035 427 HE3 LYS 662 HE3 LYS 662 -0.755 0.932 -11.656 428 HZ1 LYS 662 HZ1 LYS 662 0.088 3.178 -11.355 429 HZ2 LYS 662 HZ2 LYS 662 -1.466 3.738 -10.991 430 HZ3 LYS 662 HZ3 LYS 662 -1.122 3.145 -12.537 431 H GLN 663 HN GLN 663 -4.877 2.427 -8.207 432 HA GLN 663 HA GLN 663 -2.437 3.798 -8.572 433 HB2 GLN 663 HB2 GLN 663 -3.748 5.753 -7.569 434 HB3 GLN 663 HB3 GLN 663 -4.374 5.043 -9.052 435 HG2 GLN 663 HG2 GLN 663 -6.070 3.873 -7.863 436 HG3 GLN 663 HG3 GLN 663 -5.359 4.310 -6.312 437 HE21 GLN 663 HE21 GLN 663 -7.311 5.208 -5.642 438 HE22 GLN 663 HE22 GLN 663 -7.856 6.740 -6.219 439 H VAL 664 HN VAL 664 -4.277 2.964 -5.625 440 HA VAL 664 HA VAL 664 -2.587 4.270 -3.811 441 HB VAL 664 HB VAL 664 -4.085 1.709 -3.253 442 HG11 VAL 664 HG11 VAL 664 -2.435 2.423 -1.552 443 HG12 VAL 664 HG12 VAL 664 -3.279 3.963 -1.415 444 HG13 VAL 664 HG13 VAL 664 -4.095 2.469 -0.955 445 HG21 VAL 664 HG21 VAL 664 -6.028 2.891 -2.916 446 HG22 VAL 664 HG22 VAL 664 -5.178 4.413 -2.646 447 HG23 VAL 664 HG23 VAL 664 -5.336 3.771 -4.279 448 H PHE 665 HN PHE 665 -2.213 1.203 -5.456 449 HA PHE 665 HA PHE 665 -0.116 0.256 -3.752 450 HB2 PHE 665 HB2 PHE 665 -1.471 -1.319 -5.044 451 HB3 PHE 665 HB3 PHE 665 -0.886 -0.611 -6.546 452 HD1 PHE 665 HD2 PHE 665 0.776 -1.772 -3.399 453 HD2 PHE 665 HD1 PHE 665 0.539 -2.036 -7.641 454 HE1 PHE 665 HE2 PHE 665 2.663 -3.344 -3.403 455 HE2 PHE 665 HE1 PHE 665 2.429 -3.608 -7.650 456 HZ PHE 665 HZ PHE 665 3.487 -4.273 -5.518 457 H ASP 666 HN ASP 666 -0.086 1.411 -7.131 458 HA ASP 666 HA ASP 666 2.712 1.501 -7.367 459 HB2 ASP 666 HB2 ASP 666 1.156 1.519 -9.292 460 HB3 ASP 666 HB3 ASP 666 0.660 3.150 -8.857 461 H GLN 667 HN GLN 667 0.398 3.818 -6.169 462 HA GLN 667 HA GLN 667 2.173 6.046 -6.139 463 HB2 GLN 667 HB2 GLN 667 -0.563 5.470 -5.100 464 HB3 GLN 667 HB3 GLN 667 0.308 6.856 -4.446 465 HG2 GLN 667 HG2 GLN 667 -0.074 6.415 -7.386 466 HG3 GLN 667 HG3 GLN 667 -1.238 7.283 -6.390 467 HE21 GLN 667 HE21 GLN 667 -0.659 9.279 -5.504 468 HE22 GLN 667 HE22 GLN 667 0.676 10.193 -6.108 469 H TYR 668 HN TYR 668 1.272 3.555 -3.825 470 HA TYR 668 HA TYR 668 2.526 4.834 -1.597 471 HB2 TYR 668 HB2 TYR 668 0.733 3.302 -1.156 472 HB3 TYR 668 HB3 TYR 668 1.526 2.026 -2.074 473 HD1 TYR 668 HD2 TYR 668 1.694 4.009 1.039 474 HD2 TYR 668 HD1 TYR 668 3.127 0.612 -1.076 475 HE1 TYR 668 HE2 TYR 668 2.761 3.188 3.091 476 HE2 TYR 668 HE1 TYR 668 4.198 -0.217 0.964 477 HH TYR 668 HH TYR 668 5.030 0.652 3.097 478 H VAL 669 HN VAL 669 3.307 1.996 -3.576 479 HA VAL 669 HA VAL 669 5.793 1.420 -2.483 480 HB VAL 669 HB VAL 669 6.268 0.185 -4.501 481 HG11 VAL 669 HG11 VAL 669 4.720 -0.867 -3.009 482 HG12 VAL 669 HG12 VAL 669 3.375 0.048 -3.688 483 HG13 VAL 669 HG13 VAL 669 4.190 -1.172 -4.664 484 HG21 VAL 669 HG21 VAL 669 3.895 1.582 -5.728 485 HG22 VAL 669 HG22 VAL 669 5.584 1.913 -6.113 486 HG23 VAL 669 HG23 VAL 669 4.882 0.337 -6.492 487 H LYS 670 HN LYS 670 4.866 3.792 -4.873 488 HA LYS 670 HA LYS 670 7.485 4.319 -5.824 489 HB2 LYS 670 HB2 LYS 670 5.337 4.839 -7.021 490 HB3 LYS 670 HB3 LYS 670 5.121 6.184 -5.909 491 HG2 LYS 670 HG2 LYS 670 7.419 6.940 -6.697 492 HG3 LYS 670 HG3 LYS 670 7.206 5.812 -8.023 493 HD2 LYS 670 HD2 LYS 670 6.388 7.758 -8.931 494 HD3 LYS 670 HD3 LYS 670 4.933 7.026 -8.273 495 HE2 LYS 670 HE2 LYS 670 6.583 9.048 -6.791 496 HE3 LYS 670 HE3 LYS 670 5.192 9.471 -7.789 497 HZ1 LYS 670 HZ1 LYS 670 5.180 7.752 -5.367 498 HZ2 LYS 670 HZ2 LYS 670 3.838 8.004 -6.365 499 HZ3 LYS 670 HZ3 LYS 670 4.513 9.301 -5.514 500 H THR 671 HN THR 671 5.358 6.371 -3.802 501 HA THR 671 HA THR 671 7.423 8.174 -3.116 502 HB THR 671 HB THR 671 5.116 8.871 -2.950 503 HG1 THR 671 HG1 THR 671 5.813 10.142 -1.420 504 HG21 THR 671 HG21 THR 671 4.726 7.118 -0.545 505 HG22 THR 671 HG22 THR 671 4.346 6.542 -2.166 506 HG23 THR 671 HG23 THR 671 3.513 7.954 -1.517 507 H ARG 672 HN ARG 672 6.007 5.466 -1.285 508 HA ARG 672 HA ARG 672 7.454 5.770 1.062 509 HB2 ARG 672 HB2 ARG 672 5.542 4.195 0.696 510 HB3 ARG 672 HB3 ARG 672 6.646 3.132 -0.165 511 HG2 ARG 672 HG2 ARG 672 6.389 2.337 2.078 512 HG3 ARG 672 HG3 ARG 672 8.023 2.974 1.884 513 HD2 ARG 672 HD2 ARG 672 6.860 3.614 4.021 514 HD3 ARG 672 HD3 ARG 672 7.488 4.958 3.067 515 HE ARG 672 HE ARG 672 4.728 4.319 2.541 516 HH11 ARG 672 HH12 ARG 672 6.927 6.156 4.525 517 HH12 ARG 672 HH11 ARG 672 5.753 7.362 4.934 518 HH21 ARG 672 HH22 ARG 672 3.178 5.902 3.072 519 HH22 ARG 672 HH21 ARG 672 3.623 7.218 4.106 520 H ALA 673 HN ALA 673 8.277 3.728 -1.755 521 HA ALA 673 HA ALA 673 10.665 2.690 -0.830 522 HB1 ALA 673 HB1 ALA 673 9.656 1.929 -2.895 523 HB2 ALA 673 HB2 ALA 673 9.987 3.483 -3.658 524 HB3 ALA 673 HB3 ALA 673 11.321 2.432 -3.183 525 H GLU 674 HN GLU 674 10.221 5.677 -2.725 526 HA GLU 674 HA GLU 674 12.816 6.513 -2.944 527 HB2 GLU 674 HB2 GLU 674 10.320 8.140 -2.470 528 HB3 GLU 674 HB3 GLU 674 11.874 8.862 -2.863 529 HG2 GLU 674 HG2 GLU 674 10.393 6.885 -4.582 530 HG3 GLU 674 HG3 GLU 674 10.409 8.631 -4.816 531 H GLU 675 HN GLU 675 10.687 6.877 -0.141 532 HA GLU 675 HA GLU 675 12.581 8.419 1.358 533 HB2 GLU 675 HB2 GLU 675 10.125 6.930 2.291 534 HB3 GLU 675 HB3 GLU 675 11.027 8.105 3.236 535 HG2 GLU 675 HG2 GLU 675 9.546 8.656 0.675 536 HG3 GLU 675 HG3 GLU 675 9.014 9.083 2.300 537 H GLU 676 HN GLU 676 11.317 5.111 1.886 538 HA GLU 676 HA GLU 676 13.178 4.463 3.896 539 HB2 GLU 676 HB2 GLU 676 12.407 2.171 3.640 540 HB3 GLU 676 HB3 GLU 676 11.055 3.282 3.598 541 HG2 GLU 676 HG2 GLU 676 10.896 3.094 1.215 542 HG3 GLU 676 HG3 GLU 676 12.333 2.085 1.185 543 H ARG 677 HN ARG 677 13.759 4.897 0.644 544 HA ARG 677 HA ARG 677 15.917 2.912 0.570 545 HB2 ARG 677 HB2 ARG 677 14.375 2.956 -1.344 546 HB3 ARG 677 HB3 ARG 677 14.800 4.635 -1.649 547 HG2 ARG 677 HG2 ARG 677 17.066 2.766 -1.553 548 HG3 ARG 677 HG3 ARG 677 15.935 2.526 -2.886 549 HD2 ARG 677 HD2 ARG 677 16.198 4.829 -3.571 550 HD3 ARG 677 HD3 ARG 677 17.236 5.152 -2.185 551 HE ARG 677 HE ARG 677 18.503 3.132 -3.483 552 HH11 ARG 677 HH12 ARG 677 17.320 6.265 -4.448 553 HH12 ARG 677 HH11 ARG 677 18.520 6.483 -5.676 554 HH21 ARG 677 HH22 ARG 677 20.087 3.411 -5.100 555 HH22 ARG 677 HH21 ARG 677 20.094 4.861 -6.046 556 H ARG 678 HN ARG 678 15.327 6.386 0.357 557 HA ARG 678 HA ARG 678 18.041 7.078 -0.176 558 HB2 ARG 678 HB2 ARG 678 17.357 9.370 0.295 559 HB3 ARG 678 HB3 ARG 678 16.173 8.580 -0.732 560 HG2 ARG 678 HG2 ARG 678 14.632 8.359 1.025 561 HG3 ARG 678 HG3 ARG 678 15.850 8.761 2.233 562 HD2 ARG 678 HD2 ARG 678 14.437 10.671 1.924 563 HD3 ARG 678 HD3 ARG 678 16.020 11.023 1.231 564 HE ARG 678 HE ARG 678 14.219 9.992 -0.719 565 HH11 ARG 678 HH12 ARG 678 15.081 12.868 1.049 566 HH12 ARG 678 HH11 ARG 678 14.483 13.950 -0.164 567 HH21 ARG 678 HH22 ARG 678 13.429 11.409 -2.323 568 HH22 ARG 678 HH21 ARG 678 13.543 13.121 -2.080 569 H GLU 679 HN GLU 679 16.232 6.367 2.673 570 HA GLU 679 HA GLU 679 18.349 7.415 4.404 571 HB2 GLU 679 HB2 GLU 679 15.628 6.298 5.100 572 HB3 GLU 679 HB3 GLU 679 16.776 6.965 6.252 573 HG2 GLU 679 HG2 GLU 679 15.481 8.475 3.994 574 HG3 GLU 679 HG3 GLU 679 15.009 8.551 5.691 575 H LYS 680 HN LYS 680 16.488 4.415 3.921 576 HA LYS 680 HA LYS 680 18.754 2.941 5.096 577 HB2 LYS 680 HB2 LYS 680 15.831 2.166 5.087 578 HB3 LYS 680 HB3 LYS 680 17.140 1.218 5.777 579 HG2 LYS 680 HG2 LYS 680 17.574 2.964 7.409 580 HG3 LYS 680 HG3 LYS 680 16.303 3.959 6.697 581 HD2 LYS 680 HD2 LYS 680 14.650 2.236 7.252 582 HD3 LYS 680 HD3 LYS 680 15.925 1.253 7.976 583 HE2 LYS 680 HE2 LYS 680 16.351 3.012 9.617 584 HE3 LYS 680 HE3 LYS 680 15.092 4.006 8.885 585 HZ1 LYS 680 HZ1 LYS 680 14.283 2.852 10.848 586 HZ2 LYS 680 HZ2 LYS 680 14.675 1.357 10.161 587 HZ3 LYS 680 HZ3 LYS 680 13.468 2.314 9.465 588 H LYS 681 HN LYS 681 19.609 3.026 2.863 589 HA LYS 681 HA LYS 681 18.327 1.734 0.710 590 HB2 LYS 681 HB2 LYS 681 20.196 3.274 0.377 591 HB3 LYS 681 HB3 LYS 681 21.275 2.177 1.227 592 HG2 LYS 681 HG2 LYS 681 21.589 2.037 -1.177 593 HG3 LYS 681 HG3 LYS 681 20.985 0.511 -0.527 594 HD2 LYS 681 HD2 LYS 681 18.739 1.051 -1.281 595 HD3 LYS 681 HD3 LYS 681 19.292 2.623 -1.863 596 HE2 LYS 681 HE2 LYS 681 20.705 1.568 -3.507 597 HE3 LYS 681 HE3 LYS 681 20.319 -0.028 -2.867 598 HZ1 LYS 681 HZ1 LYS 681 19.058 0.495 -4.877 599 HZ2 LYS 681 HZ2 LYS 681 18.364 1.832 -4.109 600 HZ3 LYS 681 HZ3 LYS 681 18.034 0.271 -3.548 601 H ASN 682 HN ASN 682 18.470 -0.338 -0.088 602 HA ASN 682 HA ASN 682 18.617 -2.604 -0.036 603 HB2 ASN 682 HB2 ASN 682 21.043 -2.145 -0.107 604 HB3 ASN 682 HB3 ASN 682 21.077 -2.101 1.653 605 HD21 ASN 682 HD21 ASN 682 20.809 -4.016 2.811 606 HD22 ASN 682 HD22 ASN 682 21.016 -5.565 2.073 607 H LYS 683 HN LYS 683 16.847 -3.253 1.054 608 HA LYS 683 HA LYS 683 15.551 -4.099 2.715 609 HB2 LYS 683 HB2 LYS 683 17.464 -5.644 2.966 610 HB3 LYS 683 HB3 LYS 683 18.193 -4.535 4.120 611 HG2 LYS 683 HG2 LYS 683 17.148 -6.306 5.328 612 HG3 LYS 683 HG3 LYS 683 16.211 -4.833 5.581 613 HD2 LYS 683 HD2 LYS 683 14.678 -6.635 5.204 614 HD3 LYS 683 HD3 LYS 683 14.661 -5.598 3.778 615 HE2 LYS 683 HE2 LYS 683 14.684 -7.970 3.171 616 HE3 LYS 683 HE3 LYS 683 16.138 -7.143 2.615 617 HZ1 LYS 683 HZ1 LYS 683 15.931 -8.834 5.048 618 HZ2 LYS 683 HZ2 LYS 683 17.327 -8.041 4.520 619 HZ3 LYS 683 HZ3 LYS 683 16.661 -9.287 3.590
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