NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
645410 | 6sy2 | 34437 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 610 HT1 SER 610 18.870 6.586 -2.166 2 H2 SER 610 HT2 SER 610 20.178 5.476 -2.180 3 H3 SER 610 HT3 SER 610 19.696 6.220 -0.710 4 HA SER 610 HA SER 610 19.001 3.873 -1.062 5 HB2 SER 610 HB2 SER 610 16.586 4.555 -0.303 6 HB3 SER 610 HB1 SER 610 17.966 4.992 0.704 7 HG SER 610 HG SER 610 16.313 6.677 0.121 8 H GLN 611 HN GLN 611 17.289 2.548 -1.930 9 HA GLN 611 HA GLN 611 16.533 3.386 -4.641 10 HB2 GLN 611 HB2 GLN 611 16.638 0.616 -3.432 11 HB3 GLN 611 HB1 GLN 611 16.232 0.988 -5.102 12 HG2 GLN 611 HG2 GLN 611 18.642 2.226 -4.830 13 HG3 GLN 611 HG1 GLN 611 18.837 0.817 -3.787 14 HE21 GLN 611 HE21 GLN 611 18.188 -1.280 -4.776 15 HE22 GLN 611 HE22 GLN 611 18.579 -1.534 -6.440 16 H MET 612 HN MET 612 14.416 2.731 -5.448 17 HA MET 612 HA MET 612 12.324 3.589 -3.817 18 HB2 MET 612 HB2 MET 612 12.088 1.802 -6.243 19 HB3 MET 612 HB1 MET 612 10.836 2.842 -5.579 20 HG2 MET 612 HG2 MET 612 11.676 4.696 -6.532 21 HG3 MET 612 HG1 MET 612 13.348 4.188 -6.301 22 HE1 MET 612 HE1 MET 612 13.597 5.422 -8.882 23 HE2 MET 612 HE2 MET 612 11.850 5.653 -8.805 24 HE3 MET 612 HE3 MET 612 12.577 4.884 -10.216 25 H SER 613 HN SER 613 13.660 0.404 -4.321 26 HA SER 613 HA SER 613 11.536 -1.124 -3.285 27 HB2 SER 613 HB2 SER 613 14.427 -1.565 -3.803 28 HB3 SER 613 HB1 SER 613 13.650 -2.667 -2.667 29 HG SER 613 HG SER 613 12.954 -2.166 -5.366 30 H ASP 614 HN ASP 614 13.940 0.834 -1.750 31 HA ASP 614 HA ASP 614 13.491 -0.369 0.861 32 HB2 ASP 614 HB2 ASP 614 15.654 0.934 -0.303 33 HB3 ASP 614 HB1 ASP 614 15.028 2.107 0.852 34 H LEU 615 HN LEU 615 12.505 2.402 -0.995 35 HA LEU 615 HA LEU 615 11.439 3.832 1.271 36 HB2 LEU 615 HB2 LEU 615 10.818 4.358 -1.626 37 HB3 LEU 615 HB1 LEU 615 10.741 5.484 -0.283 38 HG LEU 615 HG LEU 615 13.303 4.284 -1.331 39 HD11 LEU 615 HD11 LEU 615 11.925 6.879 -1.960 40 HD12 LEU 615 HD12 LEU 615 12.489 5.638 -3.079 41 HD13 LEU 615 HD13 LEU 615 13.653 6.633 -2.205 42 HD21 LEU 615 HD21 LEU 615 14.374 6.009 0.000 43 HD22 LEU 615 HD22 LEU 615 13.358 4.988 1.019 44 HD23 LEU 615 HD23 LEU 615 12.802 6.593 0.544 45 HA PRO 616 HA PRO 616 7.467 1.890 1.312 46 HB2 PRO 616 HB2 PRO 616 6.004 3.790 2.543 47 HB3 PRO 616 HB1 PRO 616 7.241 2.857 3.396 48 HG2 PRO 616 HG2 PRO 616 7.403 5.621 2.258 49 HG3 PRO 616 HG1 PRO 616 7.997 5.017 3.816 50 HD2 PRO 616 HD2 PRO 616 9.601 5.373 1.641 51 HD3 PRO 616 HD1 PRO 616 9.912 4.150 2.889 52 H VAL 617 HN VAL 617 5.488 1.866 0.248 53 HA VAL 617 HA VAL 617 5.069 4.029 -1.714 54 HB VAL 617 HB VAL 617 4.279 1.139 -2.084 55 HG11 VAL 617 HG11 VAL 617 4.592 3.185 -4.243 56 HG12 VAL 617 HG12 VAL 617 3.102 3.094 -3.304 57 HG13 VAL 617 HG13 VAL 617 3.641 1.700 -4.240 58 HG21 VAL 617 HG21 VAL 617 6.656 1.154 -2.037 59 HG22 VAL 617 HG22 VAL 617 6.729 2.617 -3.020 60 HG23 VAL 617 HG23 VAL 617 6.177 1.101 -3.734 61 H LYS 618 HN LYS 618 3.171 5.051 -1.644 62 HA LYS 618 HA LYS 618 1.273 4.501 0.379 63 HB2 LYS 618 HB2 LYS 618 0.924 6.227 -2.077 64 HB3 LYS 618 HB1 LYS 618 -0.042 6.294 -0.611 65 HG2 LYS 618 HG2 LYS 618 1.330 7.914 0.041 66 HG3 LYS 618 HG1 LYS 618 2.516 6.639 0.325 67 HD2 LYS 618 HD2 LYS 618 3.799 7.819 -1.089 68 HD3 LYS 618 HD1 LYS 618 2.814 7.063 -2.344 69 HE2 LYS 618 HE2 LYS 618 2.155 9.079 -2.997 70 HE3 LYS 618 HE1 LYS 618 1.377 9.307 -1.431 71 HZ1 LYS 618 HZ1 LYS 618 3.892 10.368 -2.425 72 HZ2 LYS 618 HZ2 LYS 618 3.900 9.863 -0.811 73 HZ3 LYS 618 HZ3 LYS 618 2.793 11.034 -1.322 74 H VAL 619 HN VAL 619 -1.134 4.332 -0.179 75 HA VAL 619 HA VAL 619 -1.778 2.818 -2.544 76 HB VAL 619 HB VAL 619 -2.719 0.888 -1.255 77 HG11 VAL 619 HG11 VAL 619 -0.500 0.908 -2.478 78 HG12 VAL 619 HG12 VAL 619 -0.707 -0.335 -1.244 79 HG13 VAL 619 HG13 VAL 619 0.256 1.100 -0.896 80 HG21 VAL 619 HG21 VAL 619 -1.950 0.452 0.985 81 HG22 VAL 619 HG22 VAL 619 -2.736 2.030 0.945 82 HG23 VAL 619 HG23 VAL 619 -0.976 1.921 0.977 83 H ILE 620 HN ILE 620 -4.069 2.410 -2.756 84 HA ILE 620 HA ILE 620 -5.718 4.068 -0.965 85 HB ILE 620 HB ILE 620 -5.514 5.286 -3.020 86 HG12 ILE 620 HG12 ILE 620 -7.842 5.407 -3.756 87 HG13 ILE 620 HG11 ILE 620 -8.168 3.826 -3.050 88 HG21 ILE 620 HG21 ILE 620 -4.888 4.081 -4.797 89 HG22 ILE 620 HG22 ILE 620 -6.616 3.855 -5.065 90 HG23 ILE 620 HG23 ILE 620 -5.689 2.622 -4.212 91 HD11 ILE 620 HD11 ILE 620 -7.105 5.420 -0.994 92 HD12 ILE 620 HD12 ILE 620 -8.758 4.835 -1.178 93 HD13 ILE 620 HD13 ILE 620 -8.298 6.402 -1.841 94 H HIS 621 HN HIS 621 -7.389 3.057 -0.079 95 HA HIS 621 HA HIS 621 -7.995 0.333 -0.911 96 HB2 HIS 621 HB2 HIS 621 -7.633 1.033 1.509 97 HB3 HIS 621 HB1 HIS 621 -9.189 1.841 1.413 98 HD1 HIS 621 HD1 HIS 621 -9.682 0.047 3.415 99 HD2 HIS 621 HD2 HIS 621 -9.363 -1.457 -0.444 100 HE1 HIS 621 HE1 HIS 621 -10.755 -2.226 3.489 101 HE2 HIS 621 HE2 HIS 621 -10.504 -3.140 1.154 102 H VAL 622 HN VAL 622 -9.831 -0.267 -1.933 103 HA VAL 622 HA VAL 622 -11.623 1.831 -2.837 104 HB VAL 622 HB VAL 622 -11.727 -1.113 -3.502 105 HG11 VAL 622 HG11 VAL 622 -13.778 0.171 -3.960 106 HG12 VAL 622 HG12 VAL 622 -13.006 -0.411 -5.435 107 HG13 VAL 622 HG13 VAL 622 -12.841 1.281 -4.960 108 HG21 VAL 622 HG21 VAL 622 -9.736 -0.735 -4.476 109 HG22 VAL 622 HG22 VAL 622 -9.928 1.017 -4.422 110 HG23 VAL 622 HG23 VAL 622 -10.694 0.085 -5.709 111 H GLU 623 HN GLU 623 -11.677 -0.977 -0.733 112 HA GLU 623 HA GLU 623 -14.489 -1.086 -0.385 113 HB2 GLU 623 HB2 GLU 623 -12.307 -2.627 0.396 114 HB3 GLU 623 HB1 GLU 623 -12.976 -2.035 1.910 115 HG2 GLU 623 HG2 GLU 623 -14.953 -3.061 0.002 116 HG3 GLU 623 HG1 GLU 623 -13.812 -4.257 0.617 117 H SER 624 HN SER 624 -11.927 0.694 1.231 118 HA SER 624 HA SER 624 -13.939 1.876 3.027 119 HB2 SER 624 HB2 SER 624 -12.143 0.765 4.237 120 HB3 SER 624 HB1 SER 624 -10.936 1.696 3.351 121 HG SER 624 HG SER 624 -11.821 2.385 5.592 122 H GLY 625 HN GLY 625 -11.670 2.540 0.501 123 HA2 GLY 625 HA2 GLY 625 -11.531 4.457 -0.803 124 HA3 GLY 625 HA1 GLY 625 -12.670 5.238 0.281 125 H LYS 626 HN LYS 626 -10.351 3.979 2.239 126 HA LYS 626 HA LYS 626 -9.181 6.552 2.721 127 HB2 LYS 626 HB2 LYS 626 -9.731 4.740 4.451 128 HB3 LYS 626 HB1 LYS 626 -8.258 3.945 3.915 129 HG2 LYS 626 HG2 LYS 626 -7.314 5.134 5.563 130 HG3 LYS 626 HG1 LYS 626 -7.328 6.438 4.374 131 HD2 LYS 626 HD2 LYS 626 -9.594 7.080 5.274 132 HD3 LYS 626 HD1 LYS 626 -9.314 5.928 6.581 133 HE2 LYS 626 HE2 LYS 626 -8.599 7.923 7.512 134 HE3 LYS 626 HE1 LYS 626 -7.097 7.220 6.916 135 HZ1 LYS 626 HZ1 LYS 626 -6.887 9.276 6.041 136 HZ2 LYS 626 HZ2 LYS 626 -8.553 9.561 5.977 137 HZ3 LYS 626 HZ3 LYS 626 -7.812 8.609 4.792 138 H ILE 627 HN ILE 627 -6.993 7.130 2.545 139 HA ILE 627 HA ILE 627 -5.449 5.495 0.637 140 HB ILE 627 HB ILE 627 -5.227 8.483 0.988 141 HG12 ILE 627 HG12 ILE 627 -6.406 7.340 -1.483 142 HG13 ILE 627 HG11 ILE 627 -7.424 7.315 -0.047 143 HG21 ILE 627 HG21 ILE 627 -4.100 6.546 -1.020 144 HG22 ILE 627 HG22 ILE 627 -3.215 7.559 0.119 145 HG23 ILE 627 HG23 ILE 627 -4.077 8.297 -1.232 146 HD11 ILE 627 HD11 ILE 627 -6.102 9.874 -0.524 147 HD12 ILE 627 HD12 ILE 627 -7.782 9.515 -0.127 148 HD13 ILE 627 HD13 ILE 627 -7.222 9.384 -1.794 149 H LEU 628 HN LEU 628 -3.770 4.536 1.593 150 HA LEU 628 HA LEU 628 -2.676 5.599 4.052 151 HB2 LEU 628 HB2 LEU 628 -1.862 3.160 2.468 152 HB3 LEU 628 HB1 LEU 628 -1.290 3.578 4.072 153 HG LEU 628 HG LEU 628 -4.197 3.072 3.474 154 HD11 LEU 628 HD11 LEU 628 -2.672 1.113 2.952 155 HD12 LEU 628 HD12 LEU 628 -3.953 0.827 4.130 156 HD13 LEU 628 HD13 LEU 628 -2.296 1.081 4.675 157 HD21 LEU 628 HD21 LEU 628 -3.829 2.435 6.049 158 HD22 LEU 628 HD22 LEU 628 -4.254 4.058 5.508 159 HD23 LEU 628 HD23 LEU 628 -2.575 3.662 5.871 160 H THR 629 HN THR 629 -0.895 6.801 4.238 161 HA THR 629 HA THR 629 0.571 7.519 1.839 162 HB THR 629 HB THR 629 1.295 9.384 2.960 163 HG1 THR 629 HG1 THR 629 1.668 9.404 5.228 164 HG21 THR 629 HG21 THR 629 -0.495 10.364 3.855 165 HG22 THR 629 HG22 THR 629 -0.682 9.119 5.091 166 HG23 THR 629 HG23 THR 629 -1.319 8.853 3.468 167 H GLY 630 HN GLY 630 3.013 7.654 1.997 168 HA2 GLY 630 HA2 GLY 630 4.138 5.151 2.234 169 HA3 GLY 630 HA1 GLY 630 5.056 6.646 2.309 170 H THR 631 HN THR 631 3.398 7.358 4.785 171 HA THR 631 HA THR 631 5.278 6.408 6.677 172 HB THR 631 HB THR 631 4.086 7.718 8.265 173 HG1 THR 631 HG1 THR 631 2.000 8.537 7.767 174 HG21 THR 631 HG21 THR 631 5.212 8.960 6.364 175 HG22 THR 631 HG22 THR 631 4.014 9.845 7.309 176 HG23 THR 631 HG23 THR 631 3.589 9.208 5.720 177 H ASP 632 HN ASP 632 1.865 5.621 6.061 178 HA ASP 632 HA ASP 632 1.993 3.530 8.108 179 HB2 ASP 632 HB2 ASP 632 -0.270 4.861 6.646 180 HB3 ASP 632 HB1 ASP 632 -0.517 3.347 7.511 181 H ALA 633 HN ALA 633 1.758 3.960 4.669 182 HA ALA 633 HA ALA 633 0.845 1.427 3.915 183 HB1 ALA 633 HB1 ALA 633 1.269 3.629 2.541 184 HB2 ALA 633 HB2 ALA 633 1.319 2.047 1.762 185 HB3 ALA 633 HB3 ALA 633 2.820 2.857 2.208 186 HA PRO 634 HA PRO 634 4.296 -1.246 4.575 187 HB2 PRO 634 HB2 PRO 634 4.035 -3.017 2.557 188 HB3 PRO 634 HB1 PRO 634 2.885 -2.945 3.900 189 HG2 PRO 634 HG2 PRO 634 2.656 -1.777 1.148 190 HG3 PRO 634 HG1 PRO 634 1.445 -2.672 2.084 191 HD2 PRO 634 HD2 PRO 634 1.451 0.033 1.911 192 HD3 PRO 634 HD1 PRO 634 0.881 -0.833 3.353 193 H LYS 635 HN LYS 635 6.319 -2.034 3.659 194 HA LYS 635 HA LYS 635 7.593 -0.063 2.028 195 HB2 LYS 635 HB2 LYS 635 8.397 -2.216 3.747 196 HB3 LYS 635 HB1 LYS 635 9.237 -2.366 2.210 197 HG2 LYS 635 HG2 LYS 635 10.133 -0.150 2.419 198 HG3 LYS 635 HG1 LYS 635 9.172 0.145 3.869 199 HD2 LYS 635 HD2 LYS 635 10.905 -2.237 3.953 200 HD3 LYS 635 HD1 LYS 635 11.745 -0.686 3.899 201 HE2 LYS 635 HE2 LYS 635 9.833 -0.177 5.753 202 HE3 LYS 635 HE1 LYS 635 10.125 -1.893 6.036 203 HZ1 LYS 635 HZ1 LYS 635 12.473 -1.420 6.308 204 HZ2 LYS 635 HZ2 LYS 635 11.562 -0.500 7.396 205 HZ3 LYS 635 HZ3 LYS 635 12.207 0.224 6.010 206 H ALA 636 HN ALA 636 8.890 -0.681 0.073 207 HA ALA 636 HA ALA 636 7.203 -1.729 -1.916 208 HB1 ALA 636 HB1 ALA 636 9.369 -1.730 -3.293 209 HB2 ALA 636 HB2 ALA 636 10.116 -1.028 -1.859 210 HB3 ALA 636 HB3 ALA 636 8.787 -0.191 -2.661 211 H GLY 637 HN GLY 637 9.672 -3.207 0.074 212 HA2 GLY 637 HA2 GLY 637 9.910 -5.595 -1.485 213 HA3 GLY 637 HA1 GLY 637 10.516 -5.350 0.143 214 H GLN 638 HN GLN 638 7.965 -4.681 1.321 215 HA GLN 638 HA GLN 638 6.816 -7.384 1.355 216 HB2 GLN 638 HB2 GLN 638 5.816 -6.598 3.554 217 HB3 GLN 638 HB1 GLN 638 7.563 -6.797 3.511 218 HG2 GLN 638 HG2 GLN 638 7.884 -4.429 3.312 219 HG3 GLN 638 HG1 GLN 638 6.148 -4.165 3.160 220 HE21 GLN 638 HE21 GLN 638 8.632 -5.389 5.346 221 HE22 GLN 638 HE22 GLN 638 7.809 -4.971 6.806 222 H LEU 639 HN LEU 639 6.166 -4.587 -0.162 223 HA LEU 639 HA LEU 639 3.507 -3.983 0.415 224 HB2 LEU 639 HB2 LEU 639 4.836 -2.519 -0.951 225 HB3 LEU 639 HB1 LEU 639 5.048 -3.765 -2.166 226 HG LEU 639 HG LEU 639 2.457 -3.656 -2.385 227 HD11 LEU 639 HD11 LEU 639 1.854 -1.128 -2.010 228 HD12 LEU 639 HD12 LEU 639 3.103 -1.240 -0.768 229 HD13 LEU 639 HD13 LEU 639 1.695 -2.301 -0.703 230 HD21 LEU 639 HD21 LEU 639 3.477 -3.003 -4.298 231 HD22 LEU 639 HD22 LEU 639 4.557 -1.879 -3.473 232 HD23 LEU 639 HD23 LEU 639 2.881 -1.425 -3.785 233 H GLU 640 HN GLU 640 4.839 -6.262 -1.966 234 HA GLU 640 HA GLU 640 2.489 -7.077 -3.167 235 HB2 GLU 640 HB2 GLU 640 5.187 -8.175 -2.845 236 HB3 GLU 640 HB1 GLU 640 3.951 -9.405 -3.074 237 HG2 GLU 640 HG2 GLU 640 3.428 -7.397 -4.966 238 HG3 GLU 640 HG1 GLU 640 5.168 -7.673 -4.995 239 H ALA 641 HN ALA 641 3.996 -8.321 -0.222 240 HA ALA 641 HA ALA 641 2.048 -10.335 0.246 241 HB1 ALA 641 HB1 ALA 641 4.498 -9.857 1.251 242 HB2 ALA 641 HB2 ALA 641 3.317 -10.916 2.019 243 HB3 ALA 641 HB3 ALA 641 3.500 -9.251 2.571 244 H TRP 642 HN TRP 642 2.401 -6.987 1.270 245 HA TRP 642 HA TRP 642 0.327 -7.002 3.194 246 HB2 TRP 642 HB2 TRP 642 2.158 -5.253 2.908 247 HB3 TRP 642 HB1 TRP 642 1.194 -4.600 1.587 248 HD1 TRP 642 HD1 TRP 642 1.296 -4.841 5.385 249 HE1 TRP 642 HE1 TRP 642 -0.479 -3.258 6.368 250 HE3 TRP 642 HE3 TRP 642 -1.105 -3.529 1.067 251 HZ2 TRP 642 HZ2 TRP 642 -2.614 -1.664 5.437 252 HZ3 TRP 642 HZ3 TRP 642 -3.004 -1.971 1.199 253 HH2 TRP 642 HH2 TRP 642 -3.741 -1.058 3.341 254 H LEU 643 HN LEU 643 0.398 -6.128 -0.242 255 HA LEU 643 HA LEU 643 -2.309 -5.331 -0.401 256 HB2 LEU 643 HB2 LEU 643 -0.287 -6.215 -2.439 257 HB3 LEU 643 HB1 LEU 643 -1.942 -5.865 -2.900 258 HG LEU 643 HG LEU 643 -0.104 -3.894 -1.541 259 HD11 LEU 643 HD11 LEU 643 0.441 -4.693 -3.949 260 HD12 LEU 643 HD12 LEU 643 0.410 -2.966 -3.590 261 HD13 LEU 643 HD13 LEU 643 -0.964 -3.723 -4.396 262 HD21 LEU 643 HD21 LEU 643 -2.938 -3.869 -2.377 263 HD22 LEU 643 HD22 LEU 643 -1.997 -2.417 -2.718 264 HD23 LEU 643 HD23 LEU 643 -2.133 -3.012 -1.063 265 H GLU 644 HN GLU 644 -0.668 -8.414 -0.935 266 HA GLU 644 HA GLU 644 -2.866 -9.847 -1.935 267 HB2 GLU 644 HB2 GLU 644 -0.215 -10.401 -1.438 268 HB3 GLU 644 HB1 GLU 644 -1.039 -11.406 -0.253 269 HG2 GLU 644 HG2 GLU 644 -2.317 -11.614 -2.821 270 HG3 GLU 644 HG1 GLU 644 -0.595 -11.967 -2.948 271 H MET 645 HN MET 645 -1.736 -9.274 1.365 272 HA MET 645 HA MET 645 -3.757 -10.930 2.555 273 HB2 MET 645 HB2 MET 645 -1.383 -9.643 3.412 274 HB3 MET 645 HB1 MET 645 -2.690 -9.020 4.410 275 HG2 MET 645 HG2 MET 645 -2.875 -10.921 5.544 276 HG3 MET 645 HG1 MET 645 -2.817 -11.901 4.082 277 HE1 MET 645 HE1 MET 645 -0.031 -10.447 7.015 278 HE2 MET 645 HE2 MET 645 -0.781 -9.373 5.833 279 HE3 MET 645 HE3 MET 645 0.889 -9.896 5.616 280 H ASN 646 HN ASN 646 -3.324 -7.490 1.938 281 HA ASN 646 HA ASN 646 -6.012 -6.978 3.019 282 HB2 ASN 646 HB2 ASN 646 -3.839 -4.974 2.371 283 HB3 ASN 646 HB1 ASN 646 -5.371 -4.637 3.171 284 HD21 ASN 646 HD21 ASN 646 -2.383 -6.486 3.482 285 HD22 ASN 646 HD22 ASN 646 -2.334 -6.457 5.209 286 HA PRO 647 HA PRO 647 -6.593 -6.833 -1.565 287 HB2 PRO 647 HB2 PRO 647 -9.135 -7.799 -1.501 288 HB3 PRO 647 HB1 PRO 647 -7.707 -8.839 -1.535 289 HG2 PRO 647 HG2 PRO 647 -9.397 -8.018 0.796 290 HG3 PRO 647 HG1 PRO 647 -8.726 -9.613 0.407 291 HD2 PRO 647 HD2 PRO 647 -7.598 -7.978 2.238 292 HD3 PRO 647 HD1 PRO 647 -6.636 -9.073 1.224 293 H GLY 648 HN GLY 648 -7.777 -5.372 -2.787 294 HA2 GLY 648 HA2 GLY 648 -9.602 -3.839 -3.086 295 HA3 GLY 648 HA1 GLY 648 -9.666 -3.640 -1.342 296 H TYR 649 HN TYR 649 -6.527 -3.556 -1.669 297 HA TYR 649 HA TYR 649 -6.459 -0.656 -1.855 298 HB2 TYR 649 HB2 TYR 649 -4.638 -2.760 -0.787 299 HB3 TYR 649 HB1 TYR 649 -3.931 -1.226 -1.279 300 HD1 TYR 649 HD1 TYR 649 -6.306 -2.826 1.041 301 HD2 TYR 649 HD2 TYR 649 -4.241 0.750 0.027 302 HE1 TYR 649 HE1 TYR 649 -6.927 -1.857 3.216 303 HE2 TYR 649 HE2 TYR 649 -4.853 1.733 2.198 304 HH TYR 649 HH TYR 649 -6.069 -0.082 4.756 305 H GLU 650 HN GLU 650 -4.720 0.412 -3.071 306 HA GLU 650 HA GLU 650 -3.592 -1.063 -5.305 307 HB2 GLU 650 HB2 GLU 650 -5.587 1.174 -5.646 308 HB3 GLU 650 HB1 GLU 650 -4.472 0.694 -6.918 309 HG2 GLU 650 HG2 GLU 650 -5.459 -1.673 -6.537 310 HG3 GLU 650 HG1 GLU 650 -6.783 -0.800 -5.766 311 H VAL 651 HN VAL 651 -1.790 -0.071 -6.217 312 HA VAL 651 HA VAL 651 -0.246 1.561 -4.578 313 HB VAL 651 HB VAL 651 0.048 1.371 -7.576 314 HG11 VAL 651 HG11 VAL 651 1.894 2.094 -5.324 315 HG12 VAL 651 HG12 VAL 651 1.536 2.996 -6.796 316 HG13 VAL 651 HG13 VAL 651 2.508 1.528 -6.876 317 HG21 VAL 651 HG21 VAL 651 0.133 -0.850 -7.173 318 HG22 VAL 651 HG22 VAL 651 0.466 -0.633 -5.454 319 HG23 VAL 651 HG23 VAL 651 1.769 -0.472 -6.631 320 H ALA 652 HN ALA 652 -0.208 3.677 -4.182 321 HA ALA 652 HA ALA 652 -2.009 5.423 -5.641 322 HB1 ALA 652 HB1 ALA 652 -0.648 5.472 -3.038 323 HB2 ALA 652 HB2 ALA 652 -2.245 6.063 -3.499 324 HB3 ALA 652 HB3 ALA 652 -0.814 7.042 -3.827 325 HA PRO 653 HA PRO 653 0.996 7.385 -8.198 326 HB2 PRO 653 HB2 PRO 653 0.147 9.965 -8.215 327 HB3 PRO 653 HB1 PRO 653 -0.698 8.670 -9.069 328 HG2 PRO 653 HG2 PRO 653 -1.312 9.899 -6.410 329 HG3 PRO 653 HG1 PRO 653 -2.421 9.458 -7.720 330 HD2 PRO 653 HD2 PRO 653 -2.070 7.910 -5.528 331 HD3 PRO 653 HD1 PRO 653 -2.435 7.229 -7.126 332 H ARG 654 HN ARG 654 2.797 8.814 -8.224 333 HA ARG 654 HA ARG 654 3.891 9.309 -5.593 334 HB2 ARG 654 HB2 ARG 654 5.130 9.875 -8.290 335 HB3 ARG 654 HB1 ARG 654 5.963 9.797 -6.745 336 HG2 ARG 654 HG2 ARG 654 6.455 7.714 -7.414 337 HG3 ARG 654 HG1 ARG 654 4.841 7.351 -6.800 338 HD2 ARG 654 HD2 ARG 654 3.963 7.085 -8.873 339 HD3 ARG 654 HD1 ARG 654 5.003 8.317 -9.587 340 HE ARG 654 HE ARG 654 6.523 6.686 -10.112 341 HH11 ARG 654 HH11 ARG 654 4.232 5.403 -7.813 342 HH12 ARG 654 HH12 ARG 654 4.810 3.777 -7.956 343 HH21 ARG 654 HH21 ARG 654 7.285 4.548 -10.301 344 HH22 ARG 654 HH22 ARG 654 6.543 3.291 -9.367 345 H SER 655 HN SER 655 5.439 11.478 -5.798 346 HA SER 655 HA SER 655 3.544 13.678 -6.307 347 HB2 SER 655 HB2 SER 655 5.750 13.920 -4.290 348 HB3 SER 655 HB1 SER 655 4.201 14.761 -4.356 349 HG SER 655 HG SER 655 4.140 13.212 -2.731 350 H ASP 656 HN ASP 656 5.475 12.567 -8.169 351 HA ASP 656 HA ASP 656 7.687 14.412 -8.292 352 HB2 ASP 656 HB2 ASP 656 6.757 12.067 -9.867 353 HB3 ASP 656 HB1 ASP 656 7.767 13.244 -10.701 354 H SER 657 HN SER 657 5.278 13.638 -10.799 355 HA SER 657 HA SER 657 4.190 14.936 -12.315 356 HB2 SER 657 HB2 SER 657 4.484 16.994 -10.116 357 HB3 SER 657 HB1 SER 657 3.497 17.222 -11.559 358 HG SER 657 HG SER 657 2.318 15.339 -10.910 359 H GLU 658 HN GLU 658 4.398 16.944 -13.697 360 HA GLU 658 HA GLU 658 7.199 17.264 -14.390 361 HB2 GLU 658 HB2 GLU 658 5.007 16.977 -15.930 362 HB3 GLU 658 HB1 GLU 658 5.110 18.732 -15.895 363 HG2 GLU 658 HG2 GLU 658 6.297 18.089 -17.800 364 HG3 GLU 658 HG1 GLU 658 7.532 18.455 -16.596 Start of MODEL 2 1 H1 SER 610 HT1 SER 610 18.605 8.684 -1.049 2 H2 SER 610 HT2 SER 610 17.875 7.211 -0.557 3 H3 SER 610 HT3 SER 610 17.378 7.973 -2.012 4 HA SER 610 HA SER 610 19.740 7.715 -2.758 5 HB2 SER 610 HB2 SER 610 20.126 6.953 -0.182 6 HB3 SER 610 HB1 SER 610 19.910 5.379 -0.944 7 HG SER 610 HG SER 610 21.824 7.370 -1.573 8 H GLN 611 HN GLN 611 17.953 4.970 -1.338 9 HA GLN 611 HA GLN 611 17.658 3.869 -4.045 10 HB2 GLN 611 HB2 GLN 611 18.077 2.700 -1.388 11 HB3 GLN 611 HB1 GLN 611 16.833 1.886 -2.328 12 HG2 GLN 611 HG2 GLN 611 18.494 0.730 -3.238 13 HG3 GLN 611 HG1 GLN 611 18.859 2.195 -4.149 14 HE21 GLN 611 HE21 GLN 611 20.836 0.415 -3.691 15 HE22 GLN 611 HE22 GLN 611 21.962 1.045 -2.543 16 H MET 612 HN MET 612 15.749 4.017 -5.004 17 HA MET 612 HA MET 612 13.459 5.052 -3.682 18 HB2 MET 612 HB2 MET 612 12.302 4.580 -5.840 19 HB3 MET 612 HB1 MET 612 13.778 5.519 -6.020 20 HG2 MET 612 HG2 MET 612 14.979 3.591 -6.786 21 HG3 MET 612 HG1 MET 612 13.598 2.548 -6.452 22 HE1 MET 612 HE1 MET 612 11.065 3.371 -7.689 23 HE2 MET 612 HE2 MET 612 11.942 1.891 -8.075 24 HE3 MET 612 HE3 MET 612 11.299 2.898 -9.371 25 H SER 613 HN SER 613 14.394 1.819 -4.769 26 HA SER 613 HA SER 613 11.988 0.496 -4.268 27 HB2 SER 613 HB2 SER 613 13.288 -1.552 -4.252 28 HB3 SER 613 HB1 SER 613 13.932 -0.476 -5.492 29 HG SER 613 HG SER 613 15.620 -1.345 -4.276 30 H ASP 614 HN ASP 614 14.407 1.679 -2.092 31 HA ASP 614 HA ASP 614 13.603 0.046 0.134 32 HB2 ASP 614 HB2 ASP 614 15.831 1.587 -0.458 33 HB3 ASP 614 HB1 ASP 614 15.029 2.500 0.816 34 H LEU 615 HN LEU 615 12.713 3.135 -1.189 35 HA LEU 615 HA LEU 615 11.444 4.160 1.145 36 HB2 LEU 615 HB2 LEU 615 10.741 4.922 -1.676 37 HB3 LEU 615 HB1 LEU 615 10.643 5.906 -0.228 38 HG LEU 615 HG LEU 615 13.175 5.024 -1.615 39 HD11 LEU 615 HD11 LEU 615 13.278 7.053 -2.588 40 HD12 LEU 615 HD12 LEU 615 12.526 7.870 -1.219 41 HD13 LEU 615 HD13 LEU 615 11.527 7.005 -2.387 42 HD21 LEU 615 HD21 LEU 615 13.168 5.226 0.958 43 HD22 LEU 615 HD22 LEU 615 13.027 6.959 0.666 44 HD23 LEU 615 HD23 LEU 615 14.418 6.070 0.044 45 HA PRO 616 HA PRO 616 7.645 1.901 0.987 46 HB2 PRO 616 HB2 PRO 616 6.040 3.551 2.395 47 HB3 PRO 616 HB1 PRO 616 7.343 2.631 3.155 48 HG2 PRO 616 HG2 PRO 616 7.296 5.502 2.309 49 HG3 PRO 616 HG1 PRO 616 7.936 4.785 3.799 50 HD2 PRO 616 HD2 PRO 616 9.507 5.485 1.687 51 HD3 PRO 616 HD1 PRO 616 9.908 4.160 2.798 52 H VAL 617 HN VAL 617 5.561 1.896 0.044 53 HA VAL 617 HA VAL 617 5.065 4.131 -1.815 54 HB VAL 617 HB VAL 617 4.246 1.258 -2.246 55 HG11 VAL 617 HG11 VAL 617 4.506 3.298 -4.401 56 HG12 VAL 617 HG12 VAL 617 3.085 3.335 -3.357 57 HG13 VAL 617 HG13 VAL 617 3.448 1.890 -4.301 58 HG21 VAL 617 HG21 VAL 617 6.087 1.432 -4.056 59 HG22 VAL 617 HG22 VAL 617 6.559 1.117 -2.386 60 HG23 VAL 617 HG23 VAL 617 6.717 2.740 -3.056 61 H LYS 618 HN LYS 618 3.109 5.083 -1.777 62 HA LYS 618 HA LYS 618 1.324 4.572 0.359 63 HB2 LYS 618 HB2 LYS 618 1.136 6.297 -2.101 64 HB3 LYS 618 HB1 LYS 618 -0.186 6.178 -0.949 65 HG2 LYS 618 HG2 LYS 618 0.861 8.010 -0.123 66 HG3 LYS 618 HG1 LYS 618 1.735 6.762 0.767 67 HD2 LYS 618 HD2 LYS 618 3.631 7.534 -0.095 68 HD3 LYS 618 HD1 LYS 618 3.060 7.049 -1.695 69 HE2 LYS 618 HE2 LYS 618 3.039 9.191 -2.281 70 HE3 LYS 618 HE1 LYS 618 1.754 9.462 -1.105 71 HZ1 LYS 618 HZ1 LYS 618 4.666 9.637 -0.543 72 HZ2 LYS 618 HZ2 LYS 618 3.425 9.921 0.572 73 HZ3 LYS 618 HZ3 LYS 618 3.625 10.954 -0.752 74 H VAL 619 HN VAL 619 -1.088 4.320 -0.063 75 HA VAL 619 HA VAL 619 -1.820 2.720 -2.339 76 HB VAL 619 HB VAL 619 -2.596 0.784 -1.027 77 HG11 VAL 619 HG11 VAL 619 -0.485 -0.301 -0.836 78 HG12 VAL 619 HG12 VAL 619 0.350 1.236 -0.610 79 HG13 VAL 619 HG13 VAL 619 -0.369 0.845 -2.172 80 HG21 VAL 619 HG21 VAL 619 -1.036 2.017 1.242 81 HG22 VAL 619 HG22 VAL 619 -1.841 0.447 1.256 82 HG23 VAL 619 HG23 VAL 619 -2.795 1.926 1.144 83 H ILE 620 HN ILE 620 -4.161 2.134 -2.279 84 HA ILE 620 HA ILE 620 -5.745 3.703 -0.391 85 HB ILE 620 HB ILE 620 -5.345 5.199 -2.294 86 HG12 ILE 620 HG12 ILE 620 -7.632 4.892 -0.986 87 HG13 ILE 620 HG11 ILE 620 -7.488 6.027 -2.321 88 HG21 ILE 620 HG21 ILE 620 -5.043 3.487 -4.016 89 HG22 ILE 620 HG22 ILE 620 -6.223 4.705 -4.501 90 HG23 ILE 620 HG23 ILE 620 -6.768 3.121 -3.950 91 HD11 ILE 620 HD11 ILE 620 -9.543 4.784 -2.496 92 HD12 ILE 620 HD12 ILE 620 -8.661 3.259 -2.449 93 HD13 ILE 620 HD13 ILE 620 -8.467 4.346 -3.823 94 H HIS 621 HN HIS 621 -7.475 2.629 0.274 95 HA HIS 621 HA HIS 621 -8.148 0.084 -0.918 96 HB2 HIS 621 HB2 HIS 621 -8.097 0.821 1.628 97 HB3 HIS 621 HB1 HIS 621 -9.754 1.297 1.290 98 HD1 HIS 621 HD1 HIS 621 -9.304 -0.906 3.299 99 HD2 HIS 621 HD2 HIS 621 -9.807 -1.621 -0.761 100 HE1 HIS 621 HE1 HIS 621 -10.097 -3.286 3.128 101 HE2 HIS 621 HE2 HIS 621 -10.465 -3.673 0.666 102 H VAL 622 HN VAL 622 -9.887 -0.344 -2.180 103 HA VAL 622 HA VAL 622 -11.463 1.902 -3.114 104 HB VAL 622 HB VAL 622 -11.679 -0.983 -3.974 105 HG11 VAL 622 HG11 VAL 622 -12.671 -0.070 -5.989 106 HG12 VAL 622 HG12 VAL 622 -12.450 1.571 -5.381 107 HG13 VAL 622 HG13 VAL 622 -13.569 0.473 -4.572 108 HG21 VAL 622 HG21 VAL 622 -10.314 0.191 -5.973 109 HG22 VAL 622 HG22 VAL 622 -9.542 -0.672 -4.642 110 HG23 VAL 622 HG23 VAL 622 -9.671 1.087 -4.597 111 H GLU 623 HN GLU 623 -11.816 -0.772 -0.950 112 HA GLU 623 HA GLU 623 -14.641 -0.980 -1.002 113 HB2 GLU 623 HB2 GLU 623 -12.456 -1.937 0.769 114 HB3 GLU 623 HB1 GLU 623 -14.079 -1.903 1.444 115 HG2 GLU 623 HG2 GLU 623 -13.449 -3.237 -1.169 116 HG3 GLU 623 HG1 GLU 623 -13.322 -4.068 0.380 117 H SER 624 HN SER 624 -12.400 0.975 0.899 118 HA SER 624 HA SER 624 -14.726 2.333 2.101 119 HB2 SER 624 HB2 SER 624 -11.932 2.047 3.230 120 HB3 SER 624 HB1 SER 624 -13.254 2.935 3.986 121 HG SER 624 HG SER 624 -14.410 0.836 3.855 122 H GLY 625 HN GLY 625 -11.829 2.701 0.245 123 HA2 GLY 625 HA2 GLY 625 -11.330 4.529 -1.124 124 HA3 GLY 625 HA1 GLY 625 -12.521 5.480 -0.254 125 H LYS 626 HN LYS 626 -10.481 3.869 1.892 126 HA LYS 626 HA LYS 626 -9.254 6.331 2.705 127 HB2 LYS 626 HB2 LYS 626 -9.971 4.133 4.065 128 HB3 LYS 626 HB1 LYS 626 -8.279 3.745 3.792 129 HG2 LYS 626 HG2 LYS 626 -8.052 4.846 5.749 130 HG3 LYS 626 HG1 LYS 626 -7.979 6.239 4.668 131 HD2 LYS 626 HD2 LYS 626 -9.790 7.107 5.624 132 HD3 LYS 626 HD1 LYS 626 -10.717 5.655 5.237 133 HE2 LYS 626 HE2 LYS 626 -8.970 6.031 7.669 134 HE3 LYS 626 HE1 LYS 626 -10.729 6.145 7.643 135 HZ1 LYS 626 HZ1 LYS 626 -10.572 3.992 8.224 136 HZ2 LYS 626 HZ2 LYS 626 -9.023 3.797 7.572 137 HZ3 LYS 626 HZ3 LYS 626 -10.377 3.744 6.561 138 H ILE 627 HN ILE 627 -7.111 6.933 2.568 139 HA ILE 627 HA ILE 627 -5.429 5.277 0.798 140 HB ILE 627 HB ILE 627 -5.289 8.280 1.022 141 HG12 ILE 627 HG12 ILE 627 -6.253 7.385 -1.527 142 HG13 ILE 627 HG11 ILE 627 -7.284 6.722 -0.263 143 HG21 ILE 627 HG21 ILE 627 -3.229 7.375 0.271 144 HG22 ILE 627 HG22 ILE 627 -4.057 8.005 -1.154 145 HG23 ILE 627 HG23 ILE 627 -4.043 6.270 -0.838 146 HD11 ILE 627 HD11 ILE 627 -7.300 9.151 0.638 147 HD12 ILE 627 HD12 ILE 627 -8.308 8.722 -0.744 148 HD13 ILE 627 HD13 ILE 627 -6.781 9.566 -0.995 149 H LEU 628 HN LEU 628 -3.664 4.504 1.739 150 HA LEU 628 HA LEU 628 -2.748 5.658 4.247 151 HB2 LEU 628 HB2 LEU 628 -1.749 3.201 2.804 152 HB3 LEU 628 HB1 LEU 628 -1.346 3.683 4.440 153 HG LEU 628 HG LEU 628 -4.174 3.071 3.617 154 HD11 LEU 628 HD11 LEU 628 -2.403 1.103 5.011 155 HD12 LEU 628 HD12 LEU 628 -2.467 1.170 3.250 156 HD13 LEU 628 HD13 LEU 628 -3.931 0.833 4.173 157 HD21 LEU 628 HD21 LEU 628 -3.892 4.340 5.675 158 HD22 LEU 628 HD22 LEU 628 -2.769 3.124 6.285 159 HD23 LEU 628 HD23 LEU 628 -4.461 2.707 6.020 160 H THR 629 HN THR 629 -0.814 6.669 4.550 161 HA THR 629 HA THR 629 0.563 7.581 2.166 162 HB THR 629 HB THR 629 1.923 8.553 4.413 163 HG1 THR 629 HG1 THR 629 0.428 9.066 5.872 164 HG21 THR 629 HG21 THR 629 0.337 9.602 2.281 165 HG22 THR 629 HG22 THR 629 1.630 10.368 3.202 166 HG23 THR 629 HG23 THR 629 -0.032 10.445 3.785 167 H GLY 630 HN GLY 630 3.000 7.644 2.200 168 HA2 GLY 630 HA2 GLY 630 4.046 5.068 2.208 169 HA3 GLY 630 HA1 GLY 630 5.008 6.536 2.214 170 H THR 631 HN THR 631 3.581 7.178 4.889 171 HA THR 631 HA THR 631 5.660 6.159 6.539 172 HB THR 631 HB THR 631 3.118 7.374 7.583 173 HG1 THR 631 HG1 THR 631 5.238 8.652 6.222 174 HG21 THR 631 HG21 THR 631 5.962 7.803 8.449 175 HG22 THR 631 HG22 THR 631 4.870 6.630 9.183 176 HG23 THR 631 HG23 THR 631 4.494 8.351 9.257 177 H ASP 632 HN ASP 632 2.205 5.409 6.229 178 HA ASP 632 HA ASP 632 2.514 3.213 8.141 179 HB2 ASP 632 HB2 ASP 632 0.603 4.801 8.386 180 HB3 ASP 632 HB1 ASP 632 -0.013 4.239 6.834 181 H ALA 633 HN ALA 633 2.188 3.818 4.768 182 HA ALA 633 HA ALA 633 1.075 1.401 3.896 183 HB1 ALA 633 HB1 ALA 633 1.706 2.031 1.745 184 HB2 ALA 633 HB2 ALA 633 3.134 2.896 2.312 185 HB3 ALA 633 HB3 ALA 633 1.528 3.569 2.588 186 HA PRO 634 HA PRO 634 4.353 -1.523 4.379 187 HB2 PRO 634 HB2 PRO 634 3.890 -3.226 2.350 188 HB3 PRO 634 HB1 PRO 634 2.774 -3.080 3.713 189 HG2 PRO 634 HG2 PRO 634 2.599 -1.848 0.986 190 HG3 PRO 634 HG1 PRO 634 1.333 -2.656 1.926 191 HD2 PRO 634 HD2 PRO 634 1.577 0.046 1.799 192 HD3 PRO 634 HD1 PRO 634 0.932 -0.796 3.222 193 H LYS 635 HN LYS 635 6.353 -2.251 3.524 194 HA LYS 635 HA LYS 635 7.604 -0.401 1.735 195 HB2 LYS 635 HB2 LYS 635 8.651 -2.991 2.898 196 HB3 LYS 635 HB1 LYS 635 9.620 -1.777 2.074 197 HG2 LYS 635 HG2 LYS 635 8.819 -0.156 3.865 198 HG3 LYS 635 HG1 LYS 635 8.259 -1.584 4.738 199 HD2 LYS 635 HD2 LYS 635 10.431 -2.422 4.992 200 HD3 LYS 635 HD1 LYS 635 11.075 -1.379 3.722 201 HE2 LYS 635 HE2 LYS 635 10.803 0.566 5.114 202 HE3 LYS 635 HE1 LYS 635 9.988 -0.388 6.353 203 HZ1 LYS 635 HZ1 LYS 635 12.109 -0.274 7.172 204 HZ2 LYS 635 HZ2 LYS 635 12.838 -0.310 5.646 205 HZ3 LYS 635 HZ3 LYS 635 12.197 -1.728 6.309 206 H ALA 636 HN ALA 636 8.981 -1.254 -0.122 207 HA ALA 636 HA ALA 636 7.296 -2.393 -2.063 208 HB1 ALA 636 HB1 ALA 636 10.202 -2.578 -2.529 209 HB2 ALA 636 HB2 ALA 636 9.575 -0.970 -2.172 210 HB3 ALA 636 HB3 ALA 636 8.931 -1.885 -3.535 211 H GLY 637 HN GLY 637 9.599 -3.804 0.149 212 HA2 GLY 637 HA2 GLY 637 9.804 -6.321 -1.196 213 HA3 GLY 637 HA1 GLY 637 10.335 -5.969 0.439 214 H GLN 638 HN GLN 638 7.759 -5.095 1.414 215 HA GLN 638 HA GLN 638 6.468 -7.732 1.568 216 HB2 GLN 638 HB2 GLN 638 6.673 -5.438 3.490 217 HB3 GLN 638 HB1 GLN 638 5.399 -6.637 3.664 218 HG2 GLN 638 HG2 GLN 638 8.032 -7.821 3.309 219 HG3 GLN 638 HG1 GLN 638 7.921 -6.786 4.731 220 HE21 GLN 638 HE21 GLN 638 5.604 -8.953 3.147 221 HE22 GLN 638 HE22 GLN 638 5.278 -9.911 4.548 222 H LEU 639 HN LEU 639 6.040 -5.019 -0.145 223 HA LEU 639 HA LEU 639 3.423 -4.188 0.297 224 HB2 LEU 639 HB2 LEU 639 4.921 -2.976 -1.165 225 HB3 LEU 639 HB1 LEU 639 4.983 -4.329 -2.279 226 HG LEU 639 HG LEU 639 2.436 -3.978 -2.523 227 HD11 LEU 639 HD11 LEU 639 3.287 -1.432 -1.181 228 HD12 LEU 639 HD12 LEU 639 1.937 -2.493 -0.778 229 HD13 LEU 639 HD13 LEU 639 1.881 -1.510 -2.242 230 HD21 LEU 639 HD21 LEU 639 4.280 -1.857 -3.608 231 HD22 LEU 639 HD22 LEU 639 2.776 -2.438 -4.324 232 HD23 LEU 639 HD23 LEU 639 4.179 -3.503 -4.234 233 H GLU 640 HN GLU 640 4.590 -6.659 -1.993 234 HA GLU 640 HA GLU 640 2.161 -7.430 -3.058 235 HB2 GLU 640 HB2 GLU 640 4.620 -9.083 -2.482 236 HB3 GLU 640 HB1 GLU 640 3.259 -9.667 -3.429 237 HG2 GLU 640 HG2 GLU 640 3.749 -8.343 -5.217 238 HG3 GLU 640 HG1 GLU 640 4.514 -7.100 -4.228 239 H ALA 641 HN ALA 641 3.736 -8.581 -0.115 240 HA ALA 641 HA ALA 641 1.759 -10.515 0.525 241 HB1 ALA 641 HB1 ALA 641 4.250 -10.017 1.438 242 HB2 ALA 641 HB2 ALA 641 3.076 -11.030 2.278 243 HB3 ALA 641 HB3 ALA 641 3.286 -9.343 2.751 244 H TRP 642 HN TRP 642 2.207 -7.121 1.316 245 HA TRP 642 HA TRP 642 0.196 -6.966 3.302 246 HB2 TRP 642 HB2 TRP 642 2.044 -5.277 2.860 247 HB3 TRP 642 HB1 TRP 642 1.070 -4.700 1.511 248 HD1 TRP 642 HD1 TRP 642 1.194 -4.716 5.323 249 HE1 TRP 642 HE1 TRP 642 -0.520 -3.014 6.215 250 HE3 TRP 642 HE3 TRP 642 -1.159 -3.555 0.936 251 HZ2 TRP 642 HZ2 TRP 642 -2.590 -1.391 5.194 252 HZ3 TRP 642 HZ3 TRP 642 -2.994 -1.919 0.979 253 HH2 TRP 642 HH2 TRP 642 -3.695 -0.861 3.065 254 H LEU 643 HN LEU 643 0.176 -6.162 -0.165 255 HA LEU 643 HA LEU 643 -2.511 -5.374 -0.307 256 HB2 LEU 643 HB2 LEU 643 -0.660 -6.537 -2.384 257 HB3 LEU 643 HB1 LEU 643 -2.277 -5.972 -2.758 258 HG LEU 643 HG LEU 643 -0.142 -4.219 -1.548 259 HD11 LEU 643 HD11 LEU 643 -0.692 -4.985 -4.349 260 HD12 LEU 643 HD12 LEU 643 0.816 -4.486 -3.581 261 HD13 LEU 643 HD13 LEU 643 -0.387 -3.277 -4.033 262 HD21 LEU 643 HD21 LEU 643 -1.624 -2.521 -1.632 263 HD22 LEU 643 HD22 LEU 643 -2.806 -3.827 -1.541 264 HD23 LEU 643 HD23 LEU 643 -2.391 -3.121 -3.103 265 H GLU 644 HN GLU 644 -0.972 -8.533 -0.718 266 HA GLU 644 HA GLU 644 -3.249 -9.961 -1.527 267 HB2 GLU 644 HB2 GLU 644 -0.742 -10.667 -1.448 268 HB3 GLU 644 HB1 GLU 644 -1.116 -11.197 0.186 269 HG2 GLU 644 HG2 GLU 644 -3.002 -12.545 -0.836 270 HG3 GLU 644 HG1 GLU 644 -2.265 -12.196 -2.400 271 H MET 645 HN MET 645 -1.961 -9.214 1.677 272 HA MET 645 HA MET 645 -3.977 -10.728 3.056 273 HB2 MET 645 HB2 MET 645 -1.517 -9.802 3.758 274 HB3 MET 645 HB1 MET 645 -2.551 -8.613 4.539 275 HG2 MET 645 HG2 MET 645 -3.804 -10.564 5.547 276 HG3 MET 645 HG1 MET 645 -2.483 -11.582 4.972 277 HE1 MET 645 HE1 MET 645 -2.681 -9.621 8.907 278 HE2 MET 645 HE2 MET 645 -3.682 -10.811 8.076 279 HE3 MET 645 HE3 MET 645 -3.757 -9.114 7.604 280 H ASN 646 HN ASN 646 -3.654 -7.489 1.865 281 HA ASN 646 HA ASN 646 -6.228 -6.794 3.124 282 HB2 ASN 646 HB2 ASN 646 -4.067 -4.828 2.349 283 HB3 ASN 646 HB1 ASN 646 -5.536 -4.496 3.260 284 HD21 ASN 646 HD21 ASN 646 -2.282 -5.405 3.410 285 HD22 ASN 646 HD22 ASN 646 -2.198 -5.726 5.105 286 HA PRO 647 HA PRO 647 -6.788 -6.885 -1.489 287 HB2 PRO 647 HB2 PRO 647 -9.500 -7.710 -0.668 288 HB3 PRO 647 HB1 PRO 647 -8.396 -8.464 -1.821 289 HG2 PRO 647 HG2 PRO 647 -8.895 -9.574 0.566 290 HG3 PRO 647 HG1 PRO 647 -7.290 -9.662 -0.184 291 HD2 PRO 647 HD2 PRO 647 -8.261 -7.871 2.011 292 HD3 PRO 647 HD1 PRO 647 -6.707 -8.716 1.850 293 H GLY 648 HN GLY 648 -7.739 -5.335 -2.729 294 HA2 GLY 648 HA2 GLY 648 -9.476 -3.744 -3.185 295 HA3 GLY 648 HA1 GLY 648 -9.692 -3.544 -1.453 296 H TYR 649 HN TYR 649 -6.484 -3.596 -1.674 297 HA TYR 649 HA TYR 649 -6.330 -0.680 -1.797 298 HB2 TYR 649 HB2 TYR 649 -4.731 -2.826 -0.503 299 HB3 TYR 649 HB1 TYR 649 -3.873 -1.370 -0.993 300 HD1 TYR 649 HD1 TYR 649 -4.111 0.662 0.220 301 HD2 TYR 649 HD2 TYR 649 -6.592 -2.667 1.140 302 HE1 TYR 649 HE1 TYR 649 -4.832 1.788 2.285 303 HE2 TYR 649 HE2 TYR 649 -7.323 -1.554 3.210 304 HH TYR 649 HH TYR 649 -6.415 0.214 4.774 305 H GLU 650 HN GLU 650 -4.731 0.397 -3.000 306 HA GLU 650 HA GLU 650 -3.237 -1.113 -4.991 307 HB2 GLU 650 HB2 GLU 650 -4.049 0.351 -6.829 308 HB3 GLU 650 HB1 GLU 650 -5.307 -0.680 -6.162 309 HG2 GLU 650 HG2 GLU 650 -5.975 1.303 -4.734 310 HG3 GLU 650 HG1 GLU 650 -4.913 2.265 -5.761 311 H VAL 651 HN VAL 651 -1.405 -0.021 -5.748 312 HA VAL 651 HA VAL 651 -0.156 1.748 -4.032 313 HB VAL 651 HB VAL 651 1.324 2.262 -6.064 314 HG11 VAL 651 HG11 VAL 651 2.488 0.205 -5.832 315 HG12 VAL 651 HG12 VAL 651 1.019 -0.644 -5.356 316 HG13 VAL 651 HG13 VAL 651 1.736 0.550 -4.274 317 HG21 VAL 651 HG21 VAL 651 1.064 1.017 -8.032 318 HG22 VAL 651 HG22 VAL 651 -0.555 1.613 -7.666 319 HG23 VAL 651 HG23 VAL 651 -0.125 -0.057 -7.295 320 H ALA 652 HN ALA 652 -0.180 3.892 -3.732 321 HA ALA 652 HA ALA 652 -1.964 5.487 -5.402 322 HB1 ALA 652 HB1 ALA 652 -2.529 6.200 -3.361 323 HB2 ALA 652 HB2 ALA 652 -1.053 7.163 -3.430 324 HB3 ALA 652 HB3 ALA 652 -1.042 5.588 -2.638 325 HA PRO 653 HA PRO 653 1.836 6.865 -7.479 326 HB2 PRO 653 HB2 PRO 653 0.564 8.105 -9.535 327 HB3 PRO 653 HB1 PRO 653 0.842 6.361 -9.487 328 HG2 PRO 653 HG2 PRO 653 -1.629 7.903 -8.800 329 HG3 PRO 653 HG1 PRO 653 -1.470 6.397 -9.724 330 HD2 PRO 653 HD2 PRO 653 -2.225 6.430 -7.128 331 HD3 PRO 653 HD1 PRO 653 -1.271 5.104 -7.824 332 H ARG 654 HN ARG 654 2.763 8.935 -7.922 333 HA ARG 654 HA ARG 654 1.284 11.237 -6.852 334 HB2 ARG 654 HB2 ARG 654 3.984 10.233 -6.007 335 HB3 ARG 654 HB1 ARG 654 3.596 11.944 -5.887 336 HG2 ARG 654 HG2 ARG 654 1.897 9.800 -4.647 337 HG3 ARG 654 HG1 ARG 654 3.244 10.569 -3.806 338 HD2 ARG 654 HD2 ARG 654 1.479 11.870 -3.111 339 HD3 ARG 654 HD1 ARG 654 2.049 12.778 -4.509 340 HE ARG 654 HE ARG 654 -0.006 10.867 -5.131 341 HH11 ARG 654 HH11 ARG 654 0.644 14.120 -4.047 342 HH12 ARG 654 HH12 ARG 654 -0.887 14.735 -4.572 343 HH21 ARG 654 HH21 ARG 654 -2.020 11.674 -5.823 344 HH22 ARG 654 HH22 ARG 654 -2.400 13.347 -5.579 345 H SER 655 HN SER 655 1.614 13.141 -7.901 346 HA SER 655 HA SER 655 3.279 13.013 -10.312 347 HB2 SER 655 HB2 SER 655 0.864 14.620 -9.542 348 HB3 SER 655 HB1 SER 655 1.929 15.189 -10.827 349 HG SER 655 HG SER 655 0.290 13.913 -11.701 350 H ASP 656 HN ASP 656 4.490 13.427 -7.751 351 HA ASP 656 HA ASP 656 5.672 16.068 -8.239 352 HB2 ASP 656 HB2 ASP 656 5.824 16.380 -5.742 353 HB3 ASP 656 HB1 ASP 656 4.194 16.471 -6.401 354 H SER 657 HN SER 657 7.858 16.220 -7.861 355 HA SER 657 HA SER 657 9.285 14.052 -6.583 356 HB2 SER 657 HB2 SER 657 9.765 14.685 -9.505 357 HB3 SER 657 HB1 SER 657 10.709 13.564 -8.524 358 HG SER 657 HG SER 657 8.598 12.474 -8.182 359 H GLU 658 HN GLU 658 9.678 16.907 -8.676 360 HA GLU 658 HA GLU 658 12.046 17.677 -7.136 361 HB2 GLU 658 HB2 GLU 658 10.926 18.556 -9.787 362 HB3 GLU 658 HB1 GLU 658 12.170 19.487 -8.964 363 HG2 GLU 658 HG2 GLU 658 13.597 18.212 -10.103 364 HG3 GLU 658 HG1 GLU 658 13.229 16.983 -8.893 Start of MODEL 3 1 H1 SER 610 HT1 SER 610 19.448 1.311 -6.100 2 H2 SER 610 HT2 SER 610 18.155 1.628 -7.183 3 H3 SER 610 HT3 SER 610 18.902 0.083 -7.164 4 HA SER 610 HA SER 610 16.695 0.309 -6.045 5 HB2 SER 610 HB2 SER 610 18.571 -1.474 -5.789 6 HB3 SER 610 HB1 SER 610 18.885 -0.694 -4.240 7 HG SER 610 HG SER 610 16.662 -2.165 -5.082 8 H GLN 611 HN GLN 611 17.906 2.969 -5.730 9 HA GLN 611 HA GLN 611 18.127 3.542 -2.943 10 HB2 GLN 611 HB2 GLN 611 19.097 4.875 -4.910 11 HB3 GLN 611 HB1 GLN 611 17.486 5.557 -5.086 12 HG2 GLN 611 HG2 GLN 611 17.582 6.600 -2.980 13 HG3 GLN 611 HG1 GLN 611 18.998 5.666 -2.498 14 HE21 GLN 611 HE21 GLN 611 17.866 8.515 -3.925 15 HE22 GLN 611 HE22 GLN 611 19.388 9.162 -4.423 16 H MET 612 HN MET 612 15.570 3.988 -5.361 17 HA MET 612 HA MET 612 13.727 4.995 -3.368 18 HB2 MET 612 HB2 MET 612 13.445 4.405 -6.314 19 HB3 MET 612 HB1 MET 612 12.109 4.965 -5.316 20 HG2 MET 612 HG2 MET 612 12.846 6.932 -6.212 21 HG3 MET 612 HG1 MET 612 13.749 6.893 -4.699 22 HE1 MET 612 HE1 MET 612 13.516 6.819 -8.275 23 HE2 MET 612 HE2 MET 612 14.656 5.532 -8.675 24 HE3 MET 612 HE3 MET 612 15.131 7.220 -8.860 25 H SER 613 HN SER 613 14.485 1.980 -4.912 26 HA SER 613 HA SER 613 12.106 0.578 -4.592 27 HB2 SER 613 HB2 SER 613 14.971 -0.378 -4.459 28 HB3 SER 613 HB1 SER 613 13.582 -1.464 -4.487 29 HG SER 613 HG SER 613 14.102 0.498 -6.468 30 H ASP 614 HN ASP 614 14.465 1.540 -2.230 31 HA ASP 614 HA ASP 614 13.305 -0.198 -0.194 32 HB2 ASP 614 HB2 ASP 614 15.833 1.264 -0.524 33 HB3 ASP 614 HB1 ASP 614 15.175 1.324 1.109 34 H LEU 615 HN LEU 615 12.031 2.305 -1.463 35 HA LEU 615 HA LEU 615 11.571 3.827 1.008 36 HB2 LEU 615 HB2 LEU 615 10.964 4.550 -1.860 37 HB3 LEU 615 HB1 LEU 615 10.620 5.563 -0.470 38 HG LEU 615 HG LEU 615 13.362 4.734 -1.425 39 HD11 LEU 615 HD11 LEU 615 11.947 6.512 -2.683 40 HD12 LEU 615 HD12 LEU 615 13.629 6.860 -2.282 41 HD13 LEU 615 HD13 LEU 615 12.329 7.534 -1.298 42 HD21 LEU 615 HD21 LEU 615 12.404 6.149 1.022 43 HD22 LEU 615 HD22 LEU 615 13.953 6.596 0.306 44 HD23 LEU 615 HD23 LEU 615 13.677 4.939 0.846 45 HA PRO 616 HA PRO 616 7.472 2.245 1.355 46 HB2 PRO 616 HB2 PRO 616 6.187 4.315 2.528 47 HB3 PRO 616 HB1 PRO 616 7.379 3.329 3.383 48 HG2 PRO 616 HG2 PRO 616 7.708 6.016 2.104 49 HG3 PRO 616 HG1 PRO 616 8.316 5.438 3.667 50 HD2 PRO 616 HD2 PRO 616 9.863 5.573 1.437 51 HD3 PRO 616 HD1 PRO 616 10.111 4.362 2.711 52 H VAL 617 HN VAL 617 5.583 2.147 0.235 53 HA VAL 617 HA VAL 617 5.051 4.314 -1.694 54 HB VAL 617 HB VAL 617 4.371 1.399 -2.086 55 HG11 VAL 617 HG11 VAL 617 4.628 3.249 -4.364 56 HG12 VAL 617 HG12 VAL 617 3.262 3.543 -3.289 57 HG13 VAL 617 HG13 VAL 617 3.452 1.971 -4.065 58 HG21 VAL 617 HG21 VAL 617 6.271 1.852 -3.925 59 HG22 VAL 617 HG22 VAL 617 6.612 1.190 -2.326 60 HG23 VAL 617 HG23 VAL 617 6.850 2.909 -2.638 61 H LYS 618 HN LYS 618 3.273 5.403 -1.175 62 HA LYS 618 HA LYS 618 1.355 4.510 0.685 63 HB2 LYS 618 HB2 LYS 618 0.065 6.487 0.034 64 HB3 LYS 618 HB1 LYS 618 1.761 6.885 0.266 65 HG2 LYS 618 HG2 LYS 618 0.997 6.184 -2.484 66 HG3 LYS 618 HG1 LYS 618 0.287 7.668 -1.846 67 HD2 LYS 618 HD2 LYS 618 3.135 7.389 -1.258 68 HD3 LYS 618 HD1 LYS 618 2.773 7.450 -2.984 69 HE2 LYS 618 HE2 LYS 618 1.721 9.551 -2.791 70 HE3 LYS 618 HE1 LYS 618 1.634 9.432 -1.034 71 HZ1 LYS 618 HZ1 LYS 618 3.506 10.807 -2.333 72 HZ2 LYS 618 HZ2 LYS 618 4.302 9.324 -2.168 73 HZ3 LYS 618 HZ3 LYS 618 3.740 10.138 -0.797 74 H VAL 619 HN VAL 619 -0.724 3.720 0.433 75 HA VAL 619 HA VAL 619 -1.373 2.725 -2.265 76 HB VAL 619 HB VAL 619 -2.649 0.904 -1.055 77 HG11 VAL 619 HG11 VAL 619 -0.152 0.938 -2.006 78 HG12 VAL 619 HG12 VAL 619 -0.880 -0.488 -1.264 79 HG13 VAL 619 HG13 VAL 619 0.190 0.548 -0.320 80 HG21 VAL 619 HG21 VAL 619 -0.907 1.639 1.285 81 HG22 VAL 619 HG22 VAL 619 -2.192 0.432 1.216 82 HG23 VAL 619 HG23 VAL 619 -2.590 2.149 1.148 83 H ILE 620 HN ILE 620 -3.686 2.330 -2.646 84 HA ILE 620 HA ILE 620 -5.400 4.239 -1.195 85 HB ILE 620 HB ILE 620 -4.925 5.207 -3.344 86 HG12 ILE 620 HG12 ILE 620 -7.187 5.291 -4.350 87 HG13 ILE 620 HG11 ILE 620 -7.662 3.910 -3.365 88 HG21 ILE 620 HG21 ILE 620 -5.248 4.079 -5.435 89 HG22 ILE 620 HG22 ILE 620 -5.900 2.659 -4.620 90 HG23 ILE 620 HG23 ILE 620 -4.202 3.087 -4.419 91 HD11 ILE 620 HD11 ILE 620 -7.575 5.156 -1.388 92 HD12 ILE 620 HD12 ILE 620 -8.353 6.214 -2.565 93 HD13 ILE 620 HD13 ILE 620 -6.656 6.456 -2.147 94 H HIS 621 HN HIS 621 -7.203 3.382 -0.373 95 HA HIS 621 HA HIS 621 -7.891 0.634 -1.100 96 HB2 HIS 621 HB2 HIS 621 -7.568 1.528 1.328 97 HB3 HIS 621 HB1 HIS 621 -9.189 2.172 1.126 98 HD1 HIS 621 HD1 HIS 621 -8.920 0.152 3.274 99 HD2 HIS 621 HD2 HIS 621 -9.631 -0.930 -0.673 100 HE1 HIS 621 HE1 HIS 621 -9.940 -2.143 3.380 101 HE2 HIS 621 HE2 HIS 621 -10.458 -2.733 0.986 102 H VAL 622 HN VAL 622 -9.481 0.284 -2.507 103 HA VAL 622 HA VAL 622 -11.329 2.427 -3.173 104 HB VAL 622 HB VAL 622 -11.199 -0.336 -4.381 105 HG11 VAL 622 HG11 VAL 622 -12.058 1.997 -5.958 106 HG12 VAL 622 HG12 VAL 622 -13.144 1.518 -4.653 107 HG13 VAL 622 HG13 VAL 622 -12.707 0.358 -5.907 108 HG21 VAL 622 HG21 VAL 622 -10.027 1.216 -6.230 109 HG22 VAL 622 HG22 VAL 622 -9.127 0.326 -5.001 110 HG23 VAL 622 HG23 VAL 622 -9.484 2.037 -4.766 111 H GLU 623 HN GLU 623 -11.355 -0.719 -1.626 112 HA GLU 623 HA GLU 623 -14.169 -1.052 -1.569 113 HB2 GLU 623 HB2 GLU 623 -12.089 -2.681 -1.034 114 HB3 GLU 623 HB1 GLU 623 -12.555 -2.253 0.606 115 HG2 GLU 623 HG2 GLU 623 -13.712 -4.228 0.110 116 HG3 GLU 623 HG1 GLU 623 -14.904 -2.936 -0.022 117 H SER 624 HN SER 624 -11.877 0.520 0.582 118 HA SER 624 HA SER 624 -14.109 1.270 2.349 119 HB2 SER 624 HB2 SER 624 -11.196 0.799 2.849 120 HB3 SER 624 HB1 SER 624 -12.075 1.917 3.892 121 HG SER 624 HG SER 624 -13.055 0.288 4.791 122 H GLY 625 HN GLY 625 -11.676 2.473 0.204 123 HA2 GLY 625 HA2 GLY 625 -11.637 4.597 -0.761 124 HA3 GLY 625 HA1 GLY 625 -12.796 5.139 0.442 125 H LYS 626 HN LYS 626 -10.587 3.648 2.270 126 HA LYS 626 HA LYS 626 -9.446 6.071 3.211 127 HB2 LYS 626 HB2 LYS 626 -9.392 3.236 3.955 128 HB3 LYS 626 HB1 LYS 626 -7.885 4.078 4.292 129 HG2 LYS 626 HG2 LYS 626 -9.689 5.848 5.266 130 HG3 LYS 626 HG1 LYS 626 -10.513 4.317 5.573 131 HD2 LYS 626 HD2 LYS 626 -8.853 3.560 6.995 132 HD3 LYS 626 HD1 LYS 626 -7.628 4.621 6.296 133 HE2 LYS 626 HE2 LYS 626 -8.017 6.134 7.874 134 HE3 LYS 626 HE1 LYS 626 -9.705 6.237 7.380 135 HZ1 LYS 626 HZ1 LYS 626 -10.370 4.914 9.058 136 HZ2 LYS 626 HZ2 LYS 626 -8.937 5.439 9.788 137 HZ3 LYS 626 HZ3 LYS 626 -8.987 3.939 9.008 138 H ILE 627 HN ILE 627 -7.189 6.618 3.297 139 HA ILE 627 HA ILE 627 -5.611 5.499 1.074 140 HB ILE 627 HB ILE 627 -5.507 8.391 1.900 141 HG12 ILE 627 HG12 ILE 627 -7.126 7.139 -0.327 142 HG13 ILE 627 HG11 ILE 627 -7.768 7.938 1.102 143 HG21 ILE 627 HG21 ILE 627 -4.474 8.643 -0.345 144 HG22 ILE 627 HG22 ILE 627 -4.520 6.888 -0.519 145 HG23 ILE 627 HG23 ILE 627 -3.542 7.623 0.751 146 HD11 ILE 627 HD11 ILE 627 -7.949 9.448 -0.716 147 HD12 ILE 627 HD12 ILE 627 -6.267 9.189 -1.179 148 HD13 ILE 627 HD13 ILE 627 -6.649 10.031 0.322 149 H LEU 628 HN LEU 628 -3.750 4.647 1.746 150 HA LEU 628 HA LEU 628 -2.652 5.545 4.317 151 HB2 LEU 628 HB2 LEU 628 -1.884 3.067 2.778 152 HB3 LEU 628 HB1 LEU 628 -1.465 3.464 4.432 153 HG LEU 628 HG LEU 628 -4.318 3.050 3.570 154 HD11 LEU 628 HD11 LEU 628 -4.138 0.766 4.398 155 HD12 LEU 628 HD12 LEU 628 -2.411 0.992 4.676 156 HD13 LEU 628 HD13 LEU 628 -3.053 1.029 3.033 157 HD21 LEU 628 HD21 LEU 628 -4.500 3.975 5.628 158 HD22 LEU 628 HD22 LEU 628 -2.873 3.490 6.111 159 HD23 LEU 628 HD23 LEU 628 -4.188 2.315 6.139 160 H THR 629 HN THR 629 -0.868 6.750 4.349 161 HA THR 629 HA THR 629 0.528 7.267 1.863 162 HB THR 629 HB THR 629 1.273 9.202 2.802 163 HG1 THR 629 HG1 THR 629 1.379 7.919 5.328 164 HG21 THR 629 HG21 THR 629 -0.405 10.248 3.853 165 HG22 THR 629 HG22 THR 629 -0.540 9.010 5.102 166 HG23 THR 629 HG23 THR 629 -1.275 8.750 3.520 167 H GLY 630 HN GLY 630 2.973 7.358 1.926 168 HA2 GLY 630 HA2 GLY 630 4.080 4.874 2.205 169 HA3 GLY 630 HA1 GLY 630 5.018 6.358 2.268 170 H THR 631 HN THR 631 3.503 7.178 4.736 171 HA THR 631 HA THR 631 5.350 6.203 6.622 172 HB THR 631 HB THR 631 4.183 7.509 8.215 173 HG1 THR 631 HG1 THR 631 2.103 6.876 8.043 174 HG21 THR 631 HG21 THR 631 3.269 9.248 6.100 175 HG22 THR 631 HG22 THR 631 4.891 8.625 5.799 176 HG23 THR 631 HG23 THR 631 4.543 9.490 7.296 177 H ASP 632 HN ASP 632 1.943 5.384 6.025 178 HA ASP 632 HA ASP 632 2.113 3.258 8.032 179 HB2 ASP 632 HB2 ASP 632 -0.258 4.376 6.526 180 HB3 ASP 632 HB1 ASP 632 -0.347 3.078 7.713 181 H ALA 633 HN ALA 633 2.011 3.750 4.623 182 HA ALA 633 HA ALA 633 1.009 1.289 3.756 183 HB1 ALA 633 HB1 ALA 633 3.134 2.524 2.123 184 HB2 ALA 633 HB2 ALA 633 1.750 3.549 2.508 185 HB3 ALA 633 HB3 ALA 633 1.506 2.013 1.677 186 HA PRO 634 HA PRO 634 4.300 -1.566 4.497 187 HB2 PRO 634 HB2 PRO 634 3.980 -3.314 2.479 188 HB3 PRO 634 HB1 PRO 634 2.791 -3.164 3.780 189 HG2 PRO 634 HG2 PRO 634 2.735 -2.000 1.018 190 HG3 PRO 634 HG1 PRO 634 1.433 -2.799 1.919 191 HD2 PRO 634 HD2 PRO 634 1.660 -0.096 1.726 192 HD3 PRO 634 HD1 PRO 634 0.939 -0.909 3.129 193 H LYS 635 HN LYS 635 6.296 -2.470 3.611 194 HA LYS 635 HA LYS 635 7.717 -0.556 2.036 195 HB2 LYS 635 HB2 LYS 635 8.481 -3.274 3.109 196 HB3 LYS 635 HB1 LYS 635 9.589 -2.249 2.207 197 HG2 LYS 635 HG2 LYS 635 8.968 -0.470 4.006 198 HG3 LYS 635 HG1 LYS 635 8.468 -1.879 4.945 199 HD2 LYS 635 HD2 LYS 635 10.630 -2.766 4.984 200 HD3 LYS 635 HD1 LYS 635 11.162 -1.765 3.632 201 HE2 LYS 635 HE2 LYS 635 12.093 -0.506 5.246 202 HE3 LYS 635 HE1 LYS 635 10.461 0.139 5.419 203 HZ1 LYS 635 HZ1 LYS 635 11.810 -1.902 7.080 204 HZ2 LYS 635 HZ2 LYS 635 10.129 -1.721 7.093 205 HZ3 LYS 635 HZ3 LYS 635 11.120 -0.436 7.567 206 H ALA 636 HN ALA 636 9.233 -1.555 0.234 207 HA ALA 636 HA ALA 636 7.612 -2.120 -1.969 208 HB1 ALA 636 HB1 ALA 636 9.578 -1.260 -2.690 209 HB2 ALA 636 HB2 ALA 636 9.985 -2.967 -2.868 210 HB3 ALA 636 HB3 ALA 636 10.519 -2.077 -1.442 211 H GLY 637 HN GLY 637 9.693 -4.309 -0.080 212 HA2 GLY 637 HA2 GLY 637 8.928 -6.622 -1.583 213 HA3 GLY 637 HA1 GLY 637 9.840 -6.611 -0.083 214 H GLN 638 HN GLN 638 7.860 -5.203 1.465 215 HA GLN 638 HA GLN 638 6.177 -7.456 2.099 216 HB2 GLN 638 HB2 GLN 638 7.136 -5.095 3.449 217 HB3 GLN 638 HB1 GLN 638 5.401 -5.261 3.673 218 HG2 GLN 638 HG2 GLN 638 7.239 -7.575 4.129 219 HG3 GLN 638 HG1 GLN 638 6.984 -6.353 5.373 220 HE21 GLN 638 HE21 GLN 638 4.613 -5.869 5.789 221 HE22 GLN 638 HE22 GLN 638 3.561 -7.234 5.895 222 H LEU 639 HN LEU 639 5.868 -4.827 0.026 223 HA LEU 639 HA LEU 639 3.212 -4.040 0.364 224 HB2 LEU 639 HB2 LEU 639 4.731 -2.817 -1.066 225 HB3 LEU 639 HB1 LEU 639 4.882 -4.192 -2.142 226 HG LEU 639 HG LEU 639 2.309 -3.907 -2.454 227 HD11 LEU 639 HD11 LEU 639 1.670 -1.493 -2.321 228 HD12 LEU 639 HD12 LEU 639 3.132 -1.222 -1.371 229 HD13 LEU 639 HD13 LEU 639 1.869 -2.291 -0.761 230 HD21 LEU 639 HD21 LEU 639 3.867 -1.704 -3.705 231 HD22 LEU 639 HD22 LEU 639 2.736 -2.843 -4.433 232 HD23 LEU 639 HD23 LEU 639 4.364 -3.370 -4.004 233 H GLU 640 HN GLU 640 4.530 -6.506 -1.852 234 HA GLU 640 HA GLU 640 2.166 -7.372 -2.977 235 HB2 GLU 640 HB2 GLU 640 4.863 -8.420 -2.675 236 HB3 GLU 640 HB1 GLU 640 3.658 -9.701 -2.696 237 HG2 GLU 640 HG2 GLU 640 2.864 -9.036 -4.828 238 HG3 GLU 640 HG1 GLU 640 3.793 -7.539 -4.778 239 H ALA 641 HN ALA 641 3.728 -8.595 -0.042 240 HA ALA 641 HA ALA 641 1.723 -10.496 0.568 241 HB1 ALA 641 HB1 ALA 641 2.814 -10.055 2.977 242 HB2 ALA 641 HB2 ALA 641 4.067 -9.352 1.954 243 HB3 ALA 641 HB3 ALA 641 3.588 -11.035 1.731 244 H TRP 642 HN TRP 642 2.187 -7.118 1.398 245 HA TRP 642 HA TRP 642 0.165 -6.962 3.374 246 HB2 TRP 642 HB2 TRP 642 2.040 -5.289 2.934 247 HB3 TRP 642 HB1 TRP 642 1.054 -4.687 1.605 248 HD1 TRP 642 HD1 TRP 642 1.439 -4.487 5.341 249 HE1 TRP 642 HE1 TRP 642 -0.330 -2.884 6.305 250 HE3 TRP 642 HE3 TRP 642 -1.469 -3.889 1.179 251 HZ2 TRP 642 HZ2 TRP 642 -2.650 -1.543 5.418 252 HZ3 TRP 642 HZ3 TRP 642 -3.445 -2.430 1.321 253 HH2 TRP 642 HH2 TRP 642 -4.023 -1.282 3.397 254 H LEU 643 HN LEU 643 0.177 -6.509 -0.121 255 HA LEU 643 HA LEU 643 -2.482 -5.538 -0.315 256 HB2 LEU 643 HB2 LEU 643 -0.444 -6.593 -2.206 257 HB3 LEU 643 HB1 LEU 643 -2.113 -6.585 -2.744 258 HG LEU 643 HG LEU 643 -0.678 -4.136 -1.725 259 HD11 LEU 643 HD11 LEU 643 -0.973 -3.662 -4.340 260 HD12 LEU 643 HD12 LEU 643 -0.734 -5.408 -4.389 261 HD13 LEU 643 HD13 LEU 643 0.485 -4.372 -3.648 262 HD21 LEU 643 HD21 LEU 643 -3.122 -4.084 -1.546 263 HD22 LEU 643 HD22 LEU 643 -3.251 -4.461 -3.263 264 HD23 LEU 643 HD23 LEU 643 -2.530 -2.938 -2.748 265 H GLU 644 HN GLU 644 -1.030 -8.754 -0.561 266 HA GLU 644 HA GLU 644 -3.349 -10.152 -1.308 267 HB2 GLU 644 HB2 GLU 644 -0.671 -10.786 -0.657 268 HB3 GLU 644 HB1 GLU 644 -1.686 -11.772 0.387 269 HG2 GLU 644 HG2 GLU 644 -1.334 -13.080 -1.506 270 HG3 GLU 644 HG1 GLU 644 -2.952 -12.414 -1.724 271 H MET 645 HN MET 645 -2.026 -9.304 1.857 272 HA MET 645 HA MET 645 -4.083 -10.694 3.305 273 HB2 MET 645 HB2 MET 645 -1.635 -9.998 4.025 274 HB3 MET 645 HB1 MET 645 -2.445 -8.529 4.552 275 HG2 MET 645 HG2 MET 645 -2.787 -9.612 6.463 276 HG3 MET 645 HG1 MET 645 -4.055 -10.472 5.592 277 HE1 MET 645 HE1 MET 645 -0.460 -10.466 6.927 278 HE2 MET 645 HE2 MET 645 -0.062 -10.831 5.248 279 HE3 MET 645 HE3 MET 645 0.172 -12.055 6.496 280 H ASN 646 HN ASN 646 -3.530 -7.428 2.170 281 HA ASN 646 HA ASN 646 -6.126 -6.626 3.315 282 HB2 ASN 646 HB2 ASN 646 -3.822 -4.827 2.534 283 HB3 ASN 646 HB1 ASN 646 -5.324 -4.328 3.301 284 HD21 ASN 646 HD21 ASN 646 -2.368 -6.159 3.739 285 HD22 ASN 646 HD22 ASN 646 -2.357 -6.088 5.465 286 HA PRO 647 HA PRO 647 -6.661 -6.753 -1.291 287 HB2 PRO 647 HB2 PRO 647 -9.220 -7.668 -1.200 288 HB3 PRO 647 HB1 PRO 647 -7.812 -8.734 -1.168 289 HG2 PRO 647 HG2 PRO 647 -9.504 -7.765 1.103 290 HG3 PRO 647 HG1 PRO 647 -8.861 -9.390 0.800 291 HD2 PRO 647 HD2 PRO 647 -7.714 -7.687 2.557 292 HD3 PRO 647 HD1 PRO 647 -6.767 -8.850 1.606 293 H GLY 648 HN GLY 648 -7.752 -5.298 -2.580 294 HA2 GLY 648 HA2 GLY 648 -9.538 -3.747 -2.998 295 HA3 GLY 648 HA1 GLY 648 -9.664 -3.490 -1.265 296 H TYR 649 HN TYR 649 -6.482 -3.501 -1.613 297 HA TYR 649 HA TYR 649 -6.367 -0.597 -1.853 298 HB2 TYR 649 HB2 TYR 649 -4.641 -2.684 -0.613 299 HB3 TYR 649 HB1 TYR 649 -3.879 -1.188 -1.141 300 HD1 TYR 649 HD1 TYR 649 -4.315 0.897 -0.006 301 HD2 TYR 649 HD2 TYR 649 -6.278 -2.677 1.201 302 HE1 TYR 649 HE1 TYR 649 -4.997 1.992 2.088 303 HE2 TYR 649 HE2 TYR 649 -6.973 -1.594 3.298 304 HH TYR 649 HH TYR 649 -7.250 0.510 4.286 305 H GLU 650 HN GLU 650 -4.538 0.383 -3.014 306 HA GLU 650 HA GLU 650 -3.351 -1.196 -5.142 307 HB2 GLU 650 HB2 GLU 650 -5.165 1.157 -5.704 308 HB3 GLU 650 HB1 GLU 650 -4.118 0.398 -6.896 309 HG2 GLU 650 HG2 GLU 650 -5.357 -1.758 -6.387 310 HG3 GLU 650 HG1 GLU 650 -6.526 -0.755 -5.530 311 H VAL 651 HN VAL 651 -1.838 0.206 -6.482 312 HA VAL 651 HA VAL 651 -0.152 1.664 -4.686 313 HB VAL 651 HB VAL 651 0.102 1.457 -7.689 314 HG11 VAL 651 HG11 VAL 651 2.615 1.584 -6.791 315 HG12 VAL 651 HG12 VAL 651 1.815 2.500 -5.512 316 HG13 VAL 651 HG13 VAL 651 1.669 3.019 -7.192 317 HG21 VAL 651 HG21 VAL 651 1.768 -0.274 -6.000 318 HG22 VAL 651 HG22 VAL 651 0.952 -0.618 -7.526 319 HG23 VAL 651 HG23 VAL 651 0.052 -0.679 -6.011 320 H ALA 652 HN ALA 652 -0.397 3.726 -4.149 321 HA ALA 652 HA ALA 652 -2.116 5.465 -5.678 322 HB1 ALA 652 HB1 ALA 652 -1.112 7.100 -3.805 323 HB2 ALA 652 HB2 ALA 652 -0.811 5.545 -3.032 324 HB3 ALA 652 HB3 ALA 652 -2.450 5.991 -3.506 325 HA PRO 653 HA PRO 653 1.145 7.299 -8.067 326 HB2 PRO 653 HB2 PRO 653 -0.161 9.456 -9.010 327 HB3 PRO 653 HB1 PRO 653 -0.539 7.819 -9.559 328 HG2 PRO 653 HG2 PRO 653 -1.960 9.516 -7.544 329 HG3 PRO 653 HG1 PRO 653 -2.639 8.497 -8.826 330 HD2 PRO 653 HD2 PRO 653 -2.482 7.723 -6.213 331 HD3 PRO 653 HD1 PRO 653 -2.452 6.584 -7.573 332 H ARG 654 HN ARG 654 2.518 9.159 -8.136 333 HA ARG 654 HA ARG 654 3.076 10.286 -5.619 334 HB2 ARG 654 HB2 ARG 654 3.993 11.300 -8.314 335 HB3 ARG 654 HB1 ARG 654 4.759 11.603 -6.761 336 HG2 ARG 654 HG2 ARG 654 5.667 9.505 -6.639 337 HG3 ARG 654 HG1 ARG 654 4.421 8.788 -7.662 338 HD2 ARG 654 HD2 ARG 654 5.906 8.876 -9.321 339 HD3 ARG 654 HD1 ARG 654 5.658 10.622 -9.321 340 HE ARG 654 HE ARG 654 7.612 9.793 -7.406 341 HH11 ARG 654 HH11 ARG 654 7.106 10.522 -10.781 342 HH12 ARG 654 HH12 ARG 654 8.762 10.941 -11.067 343 HH21 ARG 654 HH21 ARG 654 9.790 10.344 -7.781 344 HH22 ARG 654 HH22 ARG 654 10.286 10.839 -9.365 345 H SER 655 HN SER 655 2.348 12.054 -4.621 346 HA SER 655 HA SER 655 0.460 13.768 -6.067 347 HB2 SER 655 HB2 SER 655 0.857 13.996 -3.117 348 HB3 SER 655 HB1 SER 655 -0.619 14.158 -4.068 349 HG SER 655 HG SER 655 -0.370 11.812 -4.436 350 H ASP 656 HN ASP 656 3.480 13.829 -4.302 351 HA ASP 656 HA ASP 656 3.644 16.715 -4.321 352 HB2 ASP 656 HB2 ASP 656 4.781 14.744 -2.761 353 HB3 ASP 656 HB1 ASP 656 6.127 15.263 -3.772 354 H SER 657 HN SER 657 4.834 14.027 -6.207 355 HA SER 657 HA SER 657 6.762 15.556 -7.677 356 HB2 SER 657 HB2 SER 657 5.522 12.883 -8.374 357 HB3 SER 657 HB1 SER 657 6.992 13.568 -9.067 358 HG SER 657 HG SER 657 6.804 12.055 -6.942 359 H GLU 658 HN GLU 658 6.466 16.778 -9.427 360 HA GLU 658 HA GLU 658 3.776 17.051 -10.496 361 HB2 GLU 658 HB2 GLU 658 6.291 18.605 -11.130 362 HB3 GLU 658 HB1 GLU 658 4.667 19.012 -11.668 363 HG2 GLU 658 HG2 GLU 658 4.573 20.321 -9.877 364 HG3 GLU 658 HG1 GLU 658 4.368 18.835 -8.951 Start of MODEL 4 1 H1 SER 610 HT1 SER 610 21.271 5.056 -1.099 2 H2 SER 610 HT2 SER 610 21.267 4.207 -2.589 3 H3 SER 610 HT3 SER 610 20.596 3.483 -1.186 4 HA SER 610 HA SER 610 18.822 4.944 -1.138 5 HB2 SER 610 HB2 SER 610 20.583 6.494 -2.995 6 HB3 SER 610 HB1 SER 610 18.836 6.703 -3.124 7 HG SER 610 HG SER 610 20.483 7.160 -0.865 8 H GLN 611 HN GLN 611 16.990 4.326 -2.178 9 HA GLN 611 HA GLN 611 16.950 3.564 -4.936 10 HB2 GLN 611 HB2 GLN 611 17.911 1.592 -3.372 11 HB3 GLN 611 HB1 GLN 611 16.188 1.270 -3.220 12 HG2 GLN 611 HG2 GLN 611 16.098 0.360 -5.236 13 HG3 GLN 611 HG1 GLN 611 16.911 1.742 -5.969 14 HE21 GLN 611 HE21 GLN 611 19.360 1.761 -5.088 15 HE22 GLN 611 HE22 GLN 611 20.192 0.280 -5.403 16 H MET 612 HN MET 612 14.778 2.718 -5.576 17 HA MET 612 HA MET 612 12.741 4.244 -4.213 18 HB2 MET 612 HB2 MET 612 12.420 2.425 -6.602 19 HB3 MET 612 HB1 MET 612 11.320 3.694 -6.079 20 HG2 MET 612 HG2 MET 612 13.288 5.287 -6.461 21 HG3 MET 612 HG1 MET 612 14.014 3.955 -7.358 22 HE1 MET 612 HE1 MET 612 13.520 6.450 -9.562 23 HE2 MET 612 HE2 MET 612 13.175 5.074 -10.611 24 HE3 MET 612 HE3 MET 612 14.354 4.916 -9.308 25 H SER 613 HN SER 613 13.660 0.893 -4.574 26 HA SER 613 HA SER 613 11.254 -0.255 -3.612 27 HB2 SER 613 HB2 SER 613 13.931 -1.567 -3.248 28 HB3 SER 613 HB1 SER 613 12.379 -2.300 -3.652 29 HG SER 613 HG SER 613 14.287 -1.533 -5.307 30 H ASP 614 HN ASP 614 14.016 1.163 -2.050 31 HA ASP 614 HA ASP 614 13.513 0.009 0.527 32 HB2 ASP 614 HB2 ASP 614 15.243 2.333 -0.337 33 HB3 ASP 614 HB1 ASP 614 15.183 1.706 1.307 34 H LEU 615 HN LEU 615 12.463 2.841 -1.196 35 HA LEU 615 HA LEU 615 11.482 4.208 1.139 36 HB2 LEU 615 HB2 LEU 615 10.738 4.756 -1.727 37 HB3 LEU 615 HB1 LEU 615 10.654 5.860 -0.369 38 HG LEU 615 HG LEU 615 13.310 4.756 -1.180 39 HD11 LEU 615 HD11 LEU 615 12.419 7.303 -2.407 40 HD12 LEU 615 HD12 LEU 615 11.849 5.800 -3.134 41 HD13 LEU 615 HD13 LEU 615 13.579 6.106 -2.986 42 HD21 LEU 615 HD21 LEU 615 12.862 7.569 -0.392 43 HD22 LEU 615 HD22 LEU 615 14.155 6.455 0.053 44 HD23 LEU 615 HD23 LEU 615 12.586 6.346 0.849 45 HA PRO 616 HA PRO 616 7.539 2.231 1.389 46 HB2 PRO 616 HB2 PRO 616 6.091 4.154 2.614 47 HB3 PRO 616 HB1 PRO 616 7.353 3.243 3.451 48 HG2 PRO 616 HG2 PRO 616 7.475 5.983 2.250 49 HG3 PRO 616 HG1 PRO 616 8.114 5.413 3.803 50 HD2 PRO 616 HD2 PRO 616 9.664 5.731 1.591 51 HD3 PRO 616 HD1 PRO 616 9.999 4.514 2.840 52 H VAL 617 HN VAL 617 5.737 2.001 0.169 53 HA VAL 617 HA VAL 617 5.118 4.164 -1.733 54 HB VAL 617 HB VAL 617 4.467 1.235 -2.065 55 HG11 VAL 617 HG11 VAL 617 3.022 2.379 -3.459 56 HG12 VAL 617 HG12 VAL 617 4.399 2.086 -4.521 57 HG13 VAL 617 HG13 VAL 617 4.183 3.669 -3.775 58 HG21 VAL 617 HG21 VAL 617 6.347 1.438 -3.833 59 HG22 VAL 617 HG22 VAL 617 6.787 1.213 -2.140 60 HG23 VAL 617 HG23 VAL 617 6.879 2.816 -2.870 61 H LYS 618 HN LYS 618 3.278 5.207 -1.379 62 HA LYS 618 HA LYS 618 1.406 4.520 0.579 63 HB2 LYS 618 HB2 LYS 618 0.978 6.276 -1.845 64 HB3 LYS 618 HB1 LYS 618 -0.008 6.267 -0.391 65 HG2 LYS 618 HG2 LYS 618 1.286 7.933 0.309 66 HG3 LYS 618 HG1 LYS 618 2.516 6.701 0.592 67 HD2 LYS 618 HD2 LYS 618 3.763 7.994 -0.765 68 HD3 LYS 618 HD1 LYS 618 2.877 7.163 -2.045 69 HE2 LYS 618 HE2 LYS 618 1.428 9.452 -0.995 70 HE3 LYS 618 HE1 LYS 618 3.007 9.897 -1.640 71 HZ1 LYS 618 HZ1 LYS 618 2.126 8.285 -3.561 72 HZ2 LYS 618 HZ2 LYS 618 1.866 9.957 -3.562 73 HZ3 LYS 618 HZ3 LYS 618 0.650 8.913 -3.021 74 H VAL 619 HN VAL 619 -1.038 4.371 -0.024 75 HA VAL 619 HA VAL 619 -1.625 2.782 -2.355 76 HB VAL 619 HB VAL 619 -2.581 0.884 -1.031 77 HG11 VAL 619 HG11 VAL 619 0.362 1.031 -0.520 78 HG12 VAL 619 HG12 VAL 619 -0.260 0.992 -2.170 79 HG13 VAL 619 HG13 VAL 619 -0.613 -0.335 -1.062 80 HG21 VAL 619 HG21 VAL 619 -0.906 2.017 1.207 81 HG22 VAL 619 HG22 VAL 619 -1.834 0.518 1.239 82 HG23 VAL 619 HG23 VAL 619 -2.668 2.068 1.134 83 H ILE 620 HN ILE 620 -3.898 2.393 -2.633 84 HA ILE 620 HA ILE 620 -5.603 4.064 -0.907 85 HB ILE 620 HB ILE 620 -5.312 5.240 -2.992 86 HG12 ILE 620 HG12 ILE 620 -7.633 5.410 -3.741 87 HG13 ILE 620 HG11 ILE 620 -8.007 3.862 -2.991 88 HG21 ILE 620 HG21 ILE 620 -5.433 2.578 -4.113 89 HG22 ILE 620 HG22 ILE 620 -4.789 4.066 -4.805 90 HG23 ILE 620 HG23 ILE 620 -6.505 3.692 -4.964 91 HD11 ILE 620 HD11 ILE 620 -8.133 6.447 -1.862 92 HD12 ILE 620 HD12 ILE 620 -6.874 5.548 -1.014 93 HD13 ILE 620 HD13 ILE 620 -8.510 4.897 -1.110 94 H HIS 621 HN HIS 621 -7.299 3.058 -0.059 95 HA HIS 621 HA HIS 621 -7.871 0.322 -0.870 96 HB2 HIS 621 HB2 HIS 621 -7.632 1.237 1.563 97 HB3 HIS 621 HB1 HIS 621 -9.289 1.772 1.340 98 HD1 HIS 621 HD1 HIS 621 -9.949 0.088 3.253 99 HD2 HIS 621 HD2 HIS 621 -8.464 -1.663 -0.207 100 HE1 HIS 621 HE1 HIS 621 -10.550 -2.348 3.423 101 HE2 HIS 621 HE2 HIS 621 -9.557 -3.404 1.363 102 H VAL 622 HN VAL 622 -9.664 -0.315 -1.940 103 HA VAL 622 HA VAL 622 -11.416 1.750 -2.984 104 HB VAL 622 HB VAL 622 -11.484 -1.214 -3.556 105 HG11 VAL 622 HG11 VAL 622 -13.445 -0.549 -4.460 106 HG12 VAL 622 HG12 VAL 622 -12.402 -0.019 -5.781 107 HG13 VAL 622 HG13 VAL 622 -12.947 1.140 -4.569 108 HG21 VAL 622 HG21 VAL 622 -9.977 -0.942 -5.286 109 HG22 VAL 622 HG22 VAL 622 -9.304 0.122 -4.052 110 HG23 VAL 622 HG23 VAL 622 -10.242 0.799 -5.383 111 H GLU 623 HN GLU 623 -11.523 -0.871 -0.687 112 HA GLU 623 HA GLU 623 -14.342 -1.088 -0.498 113 HB2 GLU 623 HB2 GLU 623 -12.730 -2.817 0.284 114 HB3 GLU 623 HB1 GLU 623 -12.278 -1.751 1.606 115 HG2 GLU 623 HG2 GLU 623 -14.657 -1.797 2.355 116 HG3 GLU 623 HG1 GLU 623 -14.958 -3.026 1.127 117 H SER 624 HN SER 624 -11.954 0.897 1.174 118 HA SER 624 HA SER 624 -14.151 2.212 2.629 119 HB2 SER 624 HB2 SER 624 -11.425 1.440 3.401 120 HB3 SER 624 HB1 SER 624 -11.855 3.090 3.856 121 HG SER 624 HG SER 624 -12.488 0.949 5.149 122 H GLY 625 HN GLY 625 -11.608 2.666 0.327 123 HA2 GLY 625 HA2 GLY 625 -11.350 4.467 -1.125 124 HA3 GLY 625 HA1 GLY 625 -12.552 5.350 -0.199 125 H LYS 626 HN LYS 626 -10.340 4.141 1.958 126 HA LYS 626 HA LYS 626 -9.210 6.734 2.423 127 HB2 LYS 626 HB2 LYS 626 -8.765 4.045 3.717 128 HB3 LYS 626 HB1 LYS 626 -7.936 5.508 4.234 129 HG2 LYS 626 HG2 LYS 626 -10.707 6.084 4.118 130 HG3 LYS 626 HG1 LYS 626 -10.504 4.558 4.978 131 HD2 LYS 626 HD2 LYS 626 -9.058 7.131 5.609 132 HD3 LYS 626 HD1 LYS 626 -10.441 6.489 6.497 133 HE2 LYS 626 HE2 LYS 626 -8.890 4.354 6.656 134 HE3 LYS 626 HE1 LYS 626 -7.618 5.554 6.430 135 HZ1 LYS 626 HZ1 LYS 626 -9.079 6.734 8.311 136 HZ2 LYS 626 HZ2 LYS 626 -7.781 5.704 8.654 137 HZ3 LYS 626 HZ3 LYS 626 -9.365 5.113 8.705 138 H ILE 627 HN ILE 627 -6.996 7.292 2.391 139 HA ILE 627 HA ILE 627 -5.370 5.645 0.562 140 HB ILE 627 HB ILE 627 -5.140 8.632 0.920 141 HG12 ILE 627 HG12 ILE 627 -6.238 7.441 -1.580 142 HG13 ILE 627 HG11 ILE 627 -7.311 7.539 -0.189 143 HG21 ILE 627 HG21 ILE 627 -4.176 7.267 -1.510 144 HG22 ILE 627 HG22 ILE 627 -3.285 6.934 -0.024 145 HG23 ILE 627 HG23 ILE 627 -3.465 8.594 -0.592 146 HD11 ILE 627 HD11 ILE 627 -5.790 9.914 -1.205 147 HD12 ILE 627 HD12 ILE 627 -7.186 9.880 -0.127 148 HD13 ILE 627 HD13 ILE 627 -7.376 9.460 -1.830 149 H LEU 628 HN LEU 628 -3.835 4.625 1.690 150 HA LEU 628 HA LEU 628 -2.825 5.705 4.165 151 HB2 LEU 628 HB2 LEU 628 -2.025 3.237 2.623 152 HB3 LEU 628 HB1 LEU 628 -1.430 3.662 4.215 153 HG LEU 628 HG LEU 628 -4.344 3.175 3.612 154 HD11 LEU 628 HD11 LEU 628 -4.068 0.977 4.568 155 HD12 LEU 628 HD12 LEU 628 -2.348 1.271 4.827 156 HD13 LEU 628 HD13 LEU 628 -2.986 1.159 3.187 157 HD21 LEU 628 HD21 LEU 628 -4.582 3.036 6.005 158 HD22 LEU 628 HD22 LEU 628 -3.811 4.567 5.589 159 HD23 LEU 628 HD23 LEU 628 -2.844 3.237 6.226 160 H THR 629 HN THR 629 -0.942 6.748 4.495 161 HA THR 629 HA THR 629 0.584 7.557 2.163 162 HB THR 629 HB THR 629 1.390 9.302 3.419 163 HG1 THR 629 HG1 THR 629 2.201 9.069 5.357 164 HG21 THR 629 HG21 THR 629 -1.258 8.874 3.842 165 HG22 THR 629 HG22 THR 629 -0.368 10.312 4.343 166 HG23 THR 629 HG23 THR 629 -0.643 9.002 5.490 167 H GLY 630 HN GLY 630 3.026 7.567 2.346 168 HA2 GLY 630 HA2 GLY 630 4.039 5.007 2.424 169 HA3 GLY 630 HA1 GLY 630 5.019 6.452 2.614 170 H THR 631 HN THR 631 3.361 7.070 5.108 171 HA THR 631 HA THR 631 5.167 5.918 6.962 172 HB THR 631 HB THR 631 2.569 7.133 7.813 173 HG1 THR 631 HG1 THR 631 3.259 9.132 7.278 174 HG21 THR 631 HG21 THR 631 5.149 8.056 8.879 175 HG22 THR 631 HG22 THR 631 4.698 6.396 9.266 176 HG23 THR 631 HG23 THR 631 3.626 7.726 9.702 177 H ASP 632 HN ASP 632 1.751 5.277 6.220 178 HA ASP 632 HA ASP 632 1.775 3.033 8.102 179 HB2 ASP 632 HB2 ASP 632 -0.150 4.918 7.542 180 HB3 ASP 632 HB1 ASP 632 -0.713 3.519 6.633 181 H ALA 633 HN ALA 633 1.600 3.735 4.697 182 HA ALA 633 HA ALA 633 0.676 1.274 3.741 183 HB1 ALA 633 HB1 ALA 633 2.671 2.912 2.227 184 HB2 ALA 633 HB2 ALA 633 1.038 3.516 2.508 185 HB3 ALA 633 HB3 ALA 633 1.281 2.008 1.627 186 HA PRO 634 HA PRO 634 4.120 -1.444 4.237 187 HB2 PRO 634 HB2 PRO 634 3.825 -3.114 2.147 188 HB3 PRO 634 HB1 PRO 634 2.674 -3.084 3.489 189 HG2 PRO 634 HG2 PRO 634 2.467 -1.798 0.790 190 HG3 PRO 634 HG1 PRO 634 1.239 -2.707 1.689 191 HD2 PRO 634 HD2 PRO 634 1.316 0.010 1.623 192 HD3 PRO 634 HD1 PRO 634 0.692 -0.905 3.010 193 H LYS 635 HN LYS 635 6.131 -2.189 3.284 194 HA LYS 635 HA LYS 635 7.296 -0.180 1.550 195 HB2 LYS 635 HB2 LYS 635 8.569 -2.592 2.857 196 HB3 LYS 635 HB1 LYS 635 9.425 -1.286 2.049 197 HG2 LYS 635 HG2 LYS 635 8.651 0.290 3.727 198 HG3 LYS 635 HG1 LYS 635 7.737 -0.993 4.525 199 HD2 LYS 635 HD2 LYS 635 10.012 -2.209 4.663 200 HD3 LYS 635 HD1 LYS 635 10.706 -0.619 4.343 201 HE2 LYS 635 HE2 LYS 635 8.687 -1.016 6.522 202 HE3 LYS 635 HE1 LYS 635 10.394 -1.367 6.792 203 HZ1 LYS 635 HZ1 LYS 635 9.424 0.985 7.294 204 HZ2 LYS 635 HZ2 LYS 635 9.653 1.226 5.636 205 HZ3 LYS 635 HZ3 LYS 635 10.968 0.823 6.620 206 H ALA 636 HN ALA 636 8.557 -0.747 -0.344 207 HA ALA 636 HA ALA 636 7.179 -2.230 -2.226 208 HB1 ALA 636 HB1 ALA 636 9.101 -0.503 -2.489 209 HB2 ALA 636 HB2 ALA 636 8.902 -1.776 -3.694 210 HB3 ALA 636 HB3 ALA 636 10.143 -1.925 -2.449 211 H GLY 637 HN GLY 637 9.486 -3.312 0.140 212 HA2 GLY 637 HA2 GLY 637 10.118 -5.792 -1.127 213 HA3 GLY 637 HA1 GLY 637 10.450 -5.364 0.541 214 H GLN 638 HN GLN 638 7.701 -4.828 1.273 215 HA GLN 638 HA GLN 638 6.669 -7.590 1.195 216 HB2 GLN 638 HB2 GLN 638 6.276 -5.554 3.392 217 HB3 GLN 638 HB1 GLN 638 5.748 -7.230 3.410 218 HG2 GLN 638 HG2 GLN 638 8.002 -8.013 3.482 219 HG3 GLN 638 HG1 GLN 638 8.626 -6.383 3.228 220 HE21 GLN 638 HE21 GLN 638 6.614 -8.262 5.455 221 HE22 GLN 638 HE22 GLN 638 7.134 -7.447 6.887 222 H LEU 639 HN LEU 639 6.078 -4.964 -0.399 223 HA LEU 639 HA LEU 639 3.463 -4.158 0.161 224 HB2 LEU 639 HB2 LEU 639 4.874 -2.889 -1.325 225 HB3 LEU 639 HB1 LEU 639 4.971 -4.230 -2.449 226 HG LEU 639 HG LEU 639 2.368 -3.939 -2.579 227 HD11 LEU 639 HD11 LEU 639 1.993 -1.356 -2.476 228 HD12 LEU 639 HD12 LEU 639 3.309 -1.415 -1.303 229 HD13 LEU 639 HD13 LEU 639 1.833 -2.340 -1.021 230 HD21 LEU 639 HD21 LEU 639 3.770 -1.726 -3.948 231 HD22 LEU 639 HD22 LEU 639 2.706 -2.974 -4.597 232 HD23 LEU 639 HD23 LEU 639 4.387 -3.354 -4.224 233 H GLU 640 HN GLU 640 4.614 -6.590 -2.176 234 HA GLU 640 HA GLU 640 2.173 -7.388 -3.192 235 HB2 GLU 640 HB2 GLU 640 4.464 -9.269 -2.634 236 HB3 GLU 640 HB1 GLU 640 3.244 -9.415 -3.890 237 HG2 GLU 640 HG2 GLU 640 4.807 -8.531 -5.213 238 HG3 GLU 640 HG1 GLU 640 4.320 -7.000 -4.488 239 H ALA 641 HN ALA 641 3.825 -8.526 -0.288 240 HA ALA 641 HA ALA 641 1.891 -10.501 0.372 241 HB1 ALA 641 HB1 ALA 641 3.000 -10.313 2.676 242 HB2 ALA 641 HB2 ALA 641 4.107 -9.180 1.901 243 HB3 ALA 641 HB3 ALA 641 3.998 -10.842 1.322 244 H TRP 642 HN TRP 642 2.367 -7.131 1.262 245 HA TRP 642 HA TRP 642 0.383 -7.005 3.262 246 HB2 TRP 642 HB2 TRP 642 2.211 -5.308 2.836 247 HB3 TRP 642 HB1 TRP 642 1.250 -4.726 1.481 248 HD1 TRP 642 HD1 TRP 642 1.565 -4.463 5.217 249 HE1 TRP 642 HE1 TRP 642 -0.238 -2.866 6.124 250 HE3 TRP 642 HE3 TRP 642 -1.278 -3.969 0.999 251 HZ2 TRP 642 HZ2 TRP 642 -2.559 -1.567 5.175 252 HZ3 TRP 642 HZ3 TRP 642 -3.272 -2.533 1.081 253 HH2 TRP 642 HH2 TRP 642 -3.899 -1.356 3.128 254 H LEU 643 HN LEU 643 0.303 -6.397 -0.222 255 HA LEU 643 HA LEU 643 -2.386 -5.519 -0.316 256 HB2 LEU 643 HB2 LEU 643 -0.643 -6.761 -2.447 257 HB3 LEU 643 HB1 LEU 643 -2.217 -6.051 -2.750 258 HG LEU 643 HG LEU 643 0.126 -4.523 -1.617 259 HD11 LEU 643 HD11 LEU 643 -0.878 -4.159 -4.397 260 HD12 LEU 643 HD12 LEU 643 0.238 -5.482 -4.053 261 HD13 LEU 643 HD13 LEU 643 0.712 -3.816 -3.716 262 HD21 LEU 643 HD21 LEU 643 -2.503 -3.901 -1.458 263 HD22 LEU 643 HD22 LEU 643 -2.079 -3.157 -2.999 264 HD23 LEU 643 HD23 LEU 643 -1.204 -2.712 -1.535 265 H GLU 644 HN GLU 644 -0.851 -8.682 -0.679 266 HA GLU 644 HA GLU 644 -3.117 -10.136 -1.459 267 HB2 GLU 644 HB2 GLU 644 -0.524 -10.828 -0.144 268 HB3 GLU 644 HB1 GLU 644 -1.796 -12.041 -0.188 269 HG2 GLU 644 HG2 GLU 644 -1.274 -10.717 -2.750 270 HG3 GLU 644 HG1 GLU 644 0.065 -11.676 -2.119 271 H MET 645 HN MET 645 -1.864 -9.293 1.736 272 HA MET 645 HA MET 645 -3.902 -10.755 3.137 273 HB2 MET 645 HB2 MET 645 -1.535 -10.129 3.966 274 HB3 MET 645 HB1 MET 645 -2.232 -8.556 4.328 275 HG2 MET 645 HG2 MET 645 -3.861 -9.609 5.803 276 HG3 MET 645 HG1 MET 645 -3.179 -11.191 5.431 277 HE1 MET 645 HE1 MET 645 -2.277 -10.221 9.181 278 HE2 MET 645 HE2 MET 645 -2.599 -11.687 8.255 279 HE3 MET 645 HE3 MET 645 -3.720 -10.328 8.171 280 H ASN 646 HN ASN 646 -3.375 -7.434 2.126 281 HA ASN 646 HA ASN 646 -6.028 -6.719 3.187 282 HB2 ASN 646 HB2 ASN 646 -3.805 -4.813 2.432 283 HB3 ASN 646 HB1 ASN 646 -5.296 -4.427 3.285 284 HD21 ASN 646 HD21 ASN 646 -2.103 -5.674 3.532 285 HD22 ASN 646 HD22 ASN 646 -2.068 -5.846 5.251 286 HA PRO 647 HA PRO 647 -6.429 -6.858 -1.438 287 HB2 PRO 647 HB2 PRO 647 -8.984 -7.813 -1.398 288 HB3 PRO 647 HB1 PRO 647 -7.556 -8.852 -1.366 289 HG2 PRO 647 HG2 PRO 647 -9.293 -7.950 0.899 290 HG3 PRO 647 HG1 PRO 647 -8.608 -9.556 0.583 291 HD2 PRO 647 HD2 PRO 647 -7.522 -7.863 2.378 292 HD3 PRO 647 HD1 PRO 647 -6.531 -8.972 1.409 293 H GLY 648 HN GLY 648 -7.524 -5.437 -2.760 294 HA2 GLY 648 HA2 GLY 648 -9.325 -3.916 -3.222 295 HA3 GLY 648 HA1 GLY 648 -9.487 -3.648 -1.494 296 H TYR 649 HN TYR 649 -6.402 -3.526 -1.458 297 HA TYR 649 HA TYR 649 -6.284 -0.661 -1.803 298 HB2 TYR 649 HB2 TYR 649 -4.513 -2.740 -0.598 299 HB3 TYR 649 HB1 TYR 649 -3.799 -1.201 -1.070 300 HD1 TYR 649 HD1 TYR 649 -6.357 -2.768 1.092 301 HD2 TYR 649 HD2 TYR 649 -4.124 0.749 0.240 302 HE1 TYR 649 HE1 TYR 649 -7.105 -1.785 3.220 303 HE2 TYR 649 HE2 TYR 649 -4.864 1.747 2.364 304 HH TYR 649 HH TYR 649 -7.290 1.034 3.979 305 H GLU 650 HN GLU 650 -4.567 0.401 -2.993 306 HA GLU 650 HA GLU 650 -3.268 -1.129 -5.098 307 HB2 GLU 650 HB2 GLU 650 -5.320 1.018 -5.619 308 HB3 GLU 650 HB1 GLU 650 -4.100 0.582 -6.808 309 HG2 GLU 650 HG2 GLU 650 -5.949 -1.450 -5.607 310 HG3 GLU 650 HG1 GLU 650 -6.387 -0.497 -7.024 311 H VAL 651 HN VAL 651 -1.439 -0.114 -5.944 312 HA VAL 651 HA VAL 651 -0.014 1.582 -4.288 313 HB VAL 651 HB VAL 651 1.372 2.041 -6.400 314 HG11 VAL 651 HG11 VAL 651 1.019 -0.869 -5.775 315 HG12 VAL 651 HG12 VAL 651 1.720 0.256 -4.612 316 HG13 VAL 651 HG13 VAL 651 2.500 0.002 -6.173 317 HG21 VAL 651 HG21 VAL 651 -0.838 1.190 -7.718 318 HG22 VAL 651 HG22 VAL 651 0.127 -0.285 -7.685 319 HG23 VAL 651 HG23 VAL 651 0.790 1.187 -8.396 320 H ALA 652 HN ALA 652 -0.048 3.702 -3.912 321 HA ALA 652 HA ALA 652 -1.902 5.390 -5.311 322 HB1 ALA 652 HB1 ALA 652 -1.761 6.721 -3.514 323 HB2 ALA 652 HB2 ALA 652 0.002 6.714 -3.527 324 HB3 ALA 652 HB3 ALA 652 -0.879 5.382 -2.780 325 HA PRO 653 HA PRO 653 0.795 7.193 -8.296 326 HB2 PRO 653 HB2 PRO 653 -0.160 9.720 -8.467 327 HB3 PRO 653 HB1 PRO 653 -1.043 8.324 -9.095 328 HG2 PRO 653 HG2 PRO 653 -1.414 9.794 -6.512 329 HG3 PRO 653 HG1 PRO 653 -2.640 9.199 -7.647 330 HD2 PRO 653 HD2 PRO 653 -1.990 7.881 -5.368 331 HD3 PRO 653 HD1 PRO 653 -2.525 7.046 -6.840 332 H ARG 654 HN ARG 654 2.500 8.719 -8.622 333 HA ARG 654 HA ARG 654 3.830 9.448 -6.161 334 HB2 ARG 654 HB2 ARG 654 4.624 9.522 -9.064 335 HB3 ARG 654 HB1 ARG 654 5.629 10.243 -7.814 336 HG2 ARG 654 HG2 ARG 654 5.181 7.771 -6.779 337 HG3 ARG 654 HG1 ARG 654 5.210 7.431 -8.511 338 HD2 ARG 654 HD2 ARG 654 7.435 7.344 -8.253 339 HD3 ARG 654 HD1 ARG 654 7.343 9.105 -8.237 340 HE ARG 654 HE ARG 654 6.990 7.903 -5.650 341 HH11 ARG 654 HH11 ARG 654 9.322 9.077 -7.965 342 HH12 ARG 654 HH12 ARG 654 10.545 9.368 -6.774 343 HH21 ARG 654 HH21 ARG 654 8.596 8.285 -4.081 344 HH22 ARG 654 HH22 ARG 654 10.133 8.918 -4.569 345 H SER 655 HN SER 655 5.029 11.638 -6.191 346 HA SER 655 HA SER 655 3.011 13.701 -6.698 347 HB2 SER 655 HB2 SER 655 4.007 13.405 -4.392 348 HB3 SER 655 HB1 SER 655 5.539 13.967 -5.061 349 HG SER 655 HG SER 655 3.944 15.539 -4.046 350 H ASP 656 HN ASP 656 4.651 12.608 -8.836 351 HA ASP 656 HA ASP 656 6.223 14.996 -9.548 352 HB2 ASP 656 HB2 ASP 656 7.383 13.429 -11.178 353 HB3 ASP 656 HB1 ASP 656 7.710 13.144 -9.471 354 H SER 657 HN SER 657 6.474 14.923 -12.147 355 HA SER 657 HA SER 657 4.211 14.130 -13.644 356 HB2 SER 657 HB2 SER 657 3.658 16.725 -14.087 357 HB3 SER 657 HB1 SER 657 2.818 15.766 -12.869 358 HG SER 657 HG SER 657 4.370 17.924 -12.531 359 H GLU 658 HN GLU 658 4.916 13.910 -15.659 360 HA GLU 658 HA GLU 658 6.536 15.915 -16.936 361 HB2 GLU 658 HB2 GLU 658 7.735 13.454 -15.843 362 HB3 GLU 658 HB1 GLU 658 8.154 13.800 -17.515 363 HG2 GLU 658 HG2 GLU 658 9.465 15.523 -16.960 364 HG3 GLU 658 HG1 GLU 658 8.350 16.105 -15.724 Start of MODEL 5 1 H1 SER 610 HT1 SER 610 19.046 5.844 -0.877 2 H2 SER 610 HT2 SER 610 17.733 6.858 -1.316 3 H3 SER 610 HT3 SER 610 19.266 7.541 -0.956 4 HA SER 610 HA SER 610 18.984 7.559 -3.264 5 HB2 SER 610 HB2 SER 610 20.986 6.388 -3.874 6 HB3 SER 610 HB1 SER 610 21.193 6.911 -2.203 7 HG SER 610 HG SER 610 21.465 4.898 -1.718 8 H GLN 611 HN GLN 611 18.666 4.243 -2.011 9 HA GLN 611 HA GLN 611 17.707 3.196 -4.494 10 HB2 GLN 611 HB2 GLN 611 18.893 1.911 -2.629 11 HB3 GLN 611 HB1 GLN 611 17.351 1.925 -1.785 12 HG2 GLN 611 HG2 GLN 611 16.403 0.892 -3.940 13 HG3 GLN 611 HG1 GLN 611 18.087 0.548 -4.336 14 HE21 GLN 611 HE21 GLN 611 18.960 -1.245 -3.555 15 HE22 GLN 611 HE22 GLN 611 18.278 -2.243 -2.321 16 H MET 612 HN MET 612 15.672 2.998 -5.228 17 HA MET 612 HA MET 612 13.574 4.398 -3.838 18 HB2 MET 612 HB2 MET 612 13.600 2.889 -6.456 19 HB3 MET 612 HB1 MET 612 12.210 3.774 -5.842 20 HG2 MET 612 HG2 MET 612 13.014 5.470 -7.041 21 HG3 MET 612 HG1 MET 612 14.155 5.667 -5.711 22 HE1 MET 612 HE1 MET 612 14.444 4.546 -9.880 23 HE2 MET 612 HE2 MET 612 15.160 6.119 -9.529 24 HE3 MET 612 HE3 MET 612 13.529 5.747 -8.970 25 H SER 613 HN SER 613 14.453 1.068 -4.474 26 HA SER 613 HA SER 613 12.032 -0.176 -3.824 27 HB2 SER 613 HB2 SER 613 14.793 -1.282 -3.275 28 HB3 SER 613 HB1 SER 613 13.310 -2.198 -3.543 29 HG SER 613 HG SER 613 15.036 -1.529 -5.347 30 H ASP 614 HN ASP 614 14.485 1.250 -1.816 31 HA ASP 614 HA ASP 614 13.637 -0.019 0.613 32 HB2 ASP 614 HB2 ASP 614 15.601 2.088 -0.134 33 HB3 ASP 614 HB1 ASP 614 15.037 2.059 1.533 34 H LEU 615 HN LEU 615 12.751 2.836 -1.154 35 HA LEU 615 HA LEU 615 11.475 4.182 1.017 36 HB2 LEU 615 HB2 LEU 615 10.785 4.609 -1.870 37 HB3 LEU 615 HB1 LEU 615 10.768 5.770 -0.556 38 HG LEU 615 HG LEU 615 13.218 4.608 -1.882 39 HD11 LEU 615 HD11 LEU 615 11.669 6.527 -2.887 40 HD12 LEU 615 HD12 LEU 615 13.425 6.541 -3.047 41 HD13 LEU 615 HD13 LEU 615 12.645 7.509 -1.796 42 HD21 LEU 615 HD21 LEU 615 14.001 4.926 0.245 43 HD22 LEU 615 HD22 LEU 615 12.840 6.206 0.600 44 HD23 LEU 615 HD23 LEU 615 14.239 6.542 -0.420 45 HA PRO 616 HA PRO 616 7.652 1.947 1.018 46 HB2 PRO 616 HB2 PRO 616 6.092 3.678 2.355 47 HB3 PRO 616 HB1 PRO 616 7.422 2.823 3.146 48 HG2 PRO 616 HG2 PRO 616 7.329 5.627 2.104 49 HG3 PRO 616 HG1 PRO 616 8.015 5.020 3.623 50 HD2 PRO 616 HD2 PRO 616 9.509 5.575 1.398 51 HD3 PRO 616 HD1 PRO 616 9.973 4.376 2.621 52 H VAL 617 HN VAL 617 5.614 1.877 0.035 53 HA VAL 617 HA VAL 617 5.066 4.061 -1.871 54 HB VAL 617 HB VAL 617 4.366 1.152 -2.273 55 HG11 VAL 617 HG11 VAL 617 2.935 2.733 -3.462 56 HG12 VAL 617 HG12 VAL 617 3.955 1.832 -4.583 57 HG13 VAL 617 HG13 VAL 617 4.358 3.498 -4.170 58 HG21 VAL 617 HG21 VAL 617 6.857 1.699 -2.209 59 HG22 VAL 617 HG22 VAL 617 6.575 2.621 -3.686 60 HG23 VAL 617 HG23 VAL 617 6.249 0.888 -3.652 61 H LYS 618 HN LYS 618 3.209 5.092 -1.551 62 HA LYS 618 HA LYS 618 1.364 4.356 0.447 63 HB2 LYS 618 HB2 LYS 618 0.838 6.223 -1.867 64 HB3 LYS 618 HB1 LYS 618 0.034 6.216 -0.304 65 HG2 LYS 618 HG2 LYS 618 1.475 7.792 0.298 66 HG3 LYS 618 HG1 LYS 618 2.696 6.519 0.348 67 HD2 LYS 618 HD2 LYS 618 3.716 8.017 -1.054 68 HD3 LYS 618 HD1 LYS 618 2.853 7.019 -2.228 69 HE2 LYS 618 HE2 LYS 618 0.948 8.817 -1.738 70 HE3 LYS 618 HE1 LYS 618 2.353 9.812 -1.363 71 HZ1 LYS 618 HZ1 LYS 618 2.189 8.276 -3.882 72 HZ2 LYS 618 HZ2 LYS 618 3.163 9.611 -3.521 73 HZ3 LYS 618 HZ3 LYS 618 1.500 9.816 -3.746 74 H VAL 619 HN VAL 619 -1.103 4.342 -0.186 75 HA VAL 619 HA VAL 619 -1.728 2.882 -2.583 76 HB VAL 619 HB VAL 619 -2.776 0.968 -1.284 77 HG11 VAL 619 HG11 VAL 619 -0.921 -0.352 -1.601 78 HG12 VAL 619 HG12 VAL 619 0.189 0.869 -0.981 79 HG13 VAL 619 HG13 VAL 619 -0.512 1.050 -2.589 80 HG21 VAL 619 HG21 VAL 619 -0.784 1.673 0.849 81 HG22 VAL 619 HG22 VAL 619 -2.089 0.488 0.905 82 HG23 VAL 619 HG23 VAL 619 -2.462 2.212 0.928 83 H ILE 620 HN ILE 620 -4.027 2.505 -2.834 84 HA ILE 620 HA ILE 620 -5.676 4.181 -1.059 85 HB ILE 620 HB ILE 620 -5.404 5.401 -3.110 86 HG12 ILE 620 HG12 ILE 620 -7.742 5.504 -3.931 87 HG13 ILE 620 HG11 ILE 620 -8.094 4.011 -3.069 88 HG21 ILE 620 HG21 ILE 620 -6.381 2.962 -4.586 89 HG22 ILE 620 HG22 ILE 620 -4.695 3.469 -4.483 90 HG23 ILE 620 HG23 ILE 620 -5.878 4.500 -5.289 91 HD11 ILE 620 HD11 ILE 620 -7.073 5.552 -1.082 92 HD12 ILE 620 HD12 ILE 620 -8.789 5.376 -1.447 93 HD13 ILE 620 HD13 ILE 620 -7.888 6.752 -2.084 94 H HIS 621 HN HIS 621 -7.380 3.185 -0.208 95 HA HIS 621 HA HIS 621 -8.011 0.476 -1.059 96 HB2 HIS 621 HB2 HIS 621 -7.743 1.328 1.387 97 HB3 HIS 621 HB1 HIS 621 -9.383 1.923 1.186 98 HD1 HIS 621 HD1 HIS 621 -9.238 -0.065 3.295 99 HD2 HIS 621 HD2 HIS 621 -9.543 -1.219 -0.684 100 HE1 HIS 621 HE1 HIS 621 -10.145 -2.409 3.343 101 HE2 HIS 621 HE2 HIS 621 -10.228 -3.122 0.928 102 H VAL 622 HN VAL 622 -9.722 -0.036 -2.283 103 HA VAL 622 HA VAL 622 -11.545 2.077 -3.096 104 HB VAL 622 HB VAL 622 -11.507 -0.790 -4.038 105 HG11 VAL 622 HG11 VAL 622 -13.045 -0.211 -5.585 106 HG12 VAL 622 HG12 VAL 622 -12.382 1.409 -5.794 107 HG13 VAL 622 HG13 VAL 622 -13.434 1.056 -4.421 108 HG21 VAL 622 HG21 VAL 622 -10.214 1.525 -5.451 109 HG22 VAL 622 HG22 VAL 622 -10.040 -0.199 -5.777 110 HG23 VAL 622 HG23 VAL 622 -9.327 0.499 -4.324 111 H GLU 623 HN GLU 623 -11.632 -1.019 -1.410 112 HA GLU 623 HA GLU 623 -14.452 -1.156 -1.153 113 HB2 GLU 623 HB2 GLU 623 -12.890 -3.092 -0.923 114 HB3 GLU 623 HB1 GLU 623 -12.371 -2.435 0.623 115 HG2 GLU 623 HG2 GLU 623 -14.096 -3.343 1.669 116 HG3 GLU 623 HG1 GLU 623 -15.237 -2.636 0.526 117 H SER 624 HN SER 624 -11.946 0.413 0.711 118 HA SER 624 HA SER 624 -13.974 1.233 2.685 119 HB2 SER 624 HB2 SER 624 -11.792 -0.059 3.356 120 HB3 SER 624 HB1 SER 624 -11.036 1.525 3.189 121 HG SER 624 HG SER 624 -12.823 2.246 4.628 122 H GLY 625 HN GLY 625 -11.734 2.351 0.291 123 HA2 GLY 625 HA2 GLY 625 -11.639 4.455 -0.684 124 HA3 GLY 625 HA1 GLY 625 -12.814 5.016 0.493 125 H LYS 626 HN LYS 626 -10.459 3.535 2.250 126 HA LYS 626 HA LYS 626 -9.393 6.034 3.160 127 HB2 LYS 626 HB2 LYS 626 -8.833 3.164 3.899 128 HB3 LYS 626 HB1 LYS 626 -7.986 4.517 4.638 129 HG2 LYS 626 HG2 LYS 626 -10.973 4.419 4.640 130 HG3 LYS 626 HG1 LYS 626 -10.038 3.510 5.831 131 HD2 LYS 626 HD2 LYS 626 -9.590 6.443 5.349 132 HD3 LYS 626 HD1 LYS 626 -10.806 5.856 6.486 133 HE2 LYS 626 HE2 LYS 626 -9.003 4.566 7.631 134 HE3 LYS 626 HE1 LYS 626 -7.834 5.354 6.572 135 HZ1 LYS 626 HZ1 LYS 626 -9.700 6.912 8.256 136 HZ2 LYS 626 HZ2 LYS 626 -8.260 7.423 7.530 137 HZ3 LYS 626 HZ3 LYS 626 -8.213 6.367 8.851 138 H ILE 627 HN ILE 627 -7.114 6.551 3.269 139 HA ILE 627 HA ILE 627 -5.522 5.326 1.113 140 HB ILE 627 HB ILE 627 -5.494 8.269 1.776 141 HG12 ILE 627 HG12 ILE 627 -6.520 7.574 -0.853 142 HG13 ILE 627 HG11 ILE 627 -7.519 6.898 0.429 143 HG21 ILE 627 HG21 ILE 627 -4.533 7.245 -0.816 144 HG22 ILE 627 HG22 ILE 627 -3.562 6.821 0.593 145 HG23 ILE 627 HG23 ILE 627 -3.879 8.515 0.220 146 HD11 ILE 627 HD11 ILE 627 -6.717 9.790 0.293 147 HD12 ILE 627 HD12 ILE 627 -7.915 9.051 1.355 148 HD13 ILE 627 HD13 ILE 627 -8.215 9.148 -0.380 149 H LEU 628 HN LEU 628 -3.577 4.634 1.746 150 HA LEU 628 HA LEU 628 -2.572 5.536 4.352 151 HB2 LEU 628 HB2 LEU 628 -1.669 3.128 2.776 152 HB3 LEU 628 HB1 LEU 628 -1.275 3.515 4.439 153 HG LEU 628 HG LEU 628 -4.123 3.054 3.621 154 HD11 LEU 628 HD11 LEU 628 -2.726 1.131 2.865 155 HD12 LEU 628 HD12 LEU 628 -3.921 0.722 4.096 156 HD13 LEU 628 HD13 LEU 628 -2.224 0.905 4.541 157 HD21 LEU 628 HD21 LEU 628 -2.825 2.376 6.231 158 HD22 LEU 628 HD22 LEU 628 -4.516 2.734 5.884 159 HD23 LEU 628 HD23 LEU 628 -3.321 4.031 5.876 160 H THR 629 HN THR 629 -0.738 6.682 4.508 161 HA THR 629 HA THR 629 0.616 7.451 2.060 162 HB THR 629 HB THR 629 1.415 9.274 3.192 163 HG1 THR 629 HG1 THR 629 1.938 9.225 5.423 164 HG21 THR 629 HG21 THR 629 -0.304 10.242 4.229 165 HG22 THR 629 HG22 THR 629 -0.435 8.958 5.429 166 HG23 THR 629 HG23 THR 629 -1.168 8.756 3.837 167 H GLY 630 HN GLY 630 3.058 7.557 2.091 168 HA2 GLY 630 HA2 GLY 630 4.150 5.015 2.236 169 HA3 GLY 630 HA1 GLY 630 5.091 6.498 2.216 170 H THR 631 HN THR 631 3.600 7.216 4.829 171 HA THR 631 HA THR 631 5.648 6.278 6.563 172 HB THR 631 HB THR 631 3.051 7.617 7.321 173 HG1 THR 631 HG1 THR 631 5.541 8.804 6.670 174 HG21 THR 631 HG21 THR 631 4.987 8.603 8.959 175 HG22 THR 631 HG22 THR 631 5.454 6.909 8.813 176 HG23 THR 631 HG23 THR 631 3.839 7.333 9.384 177 H ASP 632 HN ASP 632 2.203 5.485 6.217 178 HA ASP 632 HA ASP 632 2.500 3.366 8.217 179 HB2 ASP 632 HB2 ASP 632 0.167 4.807 7.026 180 HB3 ASP 632 HB1 ASP 632 -0.078 3.196 7.697 181 H ALA 633 HN ALA 633 2.208 3.843 4.823 182 HA ALA 633 HA ALA 633 1.132 1.389 4.020 183 HB1 ALA 633 HB1 ALA 633 1.171 2.876 2.292 184 HB2 ALA 633 HB2 ALA 633 2.620 1.945 1.907 185 HB3 ALA 633 HB3 ALA 633 2.762 3.504 2.720 186 HA PRO 634 HA PRO 634 4.385 -1.533 4.632 187 HB2 PRO 634 HB2 PRO 634 4.052 -3.199 2.529 188 HB3 PRO 634 HB1 PRO 634 2.897 -3.123 3.867 189 HG2 PRO 634 HG2 PRO 634 2.755 -1.821 1.171 190 HG3 PRO 634 HG1 PRO 634 1.489 -2.689 2.059 191 HD2 PRO 634 HD2 PRO 634 1.633 0.011 2.009 192 HD3 PRO 634 HD1 PRO 634 1.029 -0.883 3.420 193 H LYS 635 HN LYS 635 6.371 -2.417 3.709 194 HA LYS 635 HA LYS 635 7.801 -0.454 2.204 195 HB2 LYS 635 HB2 LYS 635 8.516 -3.185 3.257 196 HB3 LYS 635 HB1 LYS 635 9.637 -2.244 2.282 197 HG2 LYS 635 HG2 LYS 635 9.022 -0.396 4.105 198 HG3 LYS 635 HG1 LYS 635 8.746 -1.847 5.072 199 HD2 LYS 635 HD2 LYS 635 11.120 -2.427 3.854 200 HD3 LYS 635 HD1 LYS 635 11.250 -0.682 4.085 201 HE2 LYS 635 HE2 LYS 635 11.395 -0.861 6.327 202 HE3 LYS 635 HE1 LYS 635 10.222 -2.177 6.400 203 HZ1 LYS 635 HZ1 LYS 635 12.277 -3.399 5.228 204 HZ2 LYS 635 HZ2 LYS 635 12.037 -3.376 6.902 205 HZ3 LYS 635 HZ3 LYS 635 13.113 -2.283 6.188 206 H ALA 636 HN ALA 636 9.306 -1.392 0.360 207 HA ALA 636 HA ALA 636 7.664 -1.880 -1.851 208 HB1 ALA 636 HB1 ALA 636 9.750 -2.294 -3.085 209 HB2 ALA 636 HB2 ALA 636 10.627 -2.349 -1.556 210 HB3 ALA 636 HB3 ALA 636 9.849 -0.853 -2.072 211 H GLY 637 HN GLY 637 9.782 -4.120 -0.065 212 HA2 GLY 637 HA2 GLY 637 9.009 -6.384 -1.640 213 HA3 GLY 637 HA1 GLY 637 9.942 -6.420 -0.153 214 H GLN 638 HN GLN 638 7.979 -5.076 1.469 215 HA GLN 638 HA GLN 638 6.319 -7.357 2.058 216 HB2 GLN 638 HB2 GLN 638 6.457 -4.649 3.393 217 HB3 GLN 638 HB1 GLN 638 5.611 -6.058 4.018 218 HG2 GLN 638 HG2 GLN 638 8.167 -6.989 3.583 219 HG3 GLN 638 HG1 GLN 638 8.418 -5.347 4.173 220 HE21 GLN 638 HE21 GLN 638 7.359 -4.766 6.191 221 HE22 GLN 638 HE22 GLN 638 7.138 -5.978 7.401 222 H LEU 639 HN LEU 639 5.958 -4.651 0.082 223 HA LEU 639 HA LEU 639 3.292 -3.923 0.483 224 HB2 LEU 639 HB2 LEU 639 4.751 -2.595 -0.899 225 HB3 LEU 639 HB1 LEU 639 4.961 -3.920 -2.028 226 HG LEU 639 HG LEU 639 2.362 -3.705 -2.319 227 HD11 LEU 639 HD11 LEU 639 1.730 -2.140 -0.738 228 HD12 LEU 639 HD12 LEU 639 1.855 -1.169 -2.206 229 HD13 LEU 639 HD13 LEU 639 3.153 -1.134 -1.013 230 HD21 LEU 639 HD21 LEU 639 4.521 -1.994 -3.489 231 HD22 LEU 639 HD22 LEU 639 2.847 -1.820 -4.016 232 HD23 LEU 639 HD23 LEU 639 3.673 -3.367 -4.202 233 H GLU 640 HN GLU 640 4.653 -6.315 -1.778 234 HA GLU 640 HA GLU 640 2.310 -7.151 -2.978 235 HB2 GLU 640 HB2 GLU 640 4.946 -8.430 -2.452 236 HB3 GLU 640 HB1 GLU 640 3.631 -9.460 -3.000 237 HG2 GLU 640 HG2 GLU 640 4.088 -6.962 -4.510 238 HG3 GLU 640 HG1 GLU 640 5.305 -8.227 -4.662 239 H ALA 641 HN ALA 641 3.787 -8.350 0.005 240 HA ALA 641 HA ALA 641 1.805 -10.326 0.500 241 HB1 ALA 641 HB1 ALA 641 3.261 -9.220 2.812 242 HB2 ALA 641 HB2 ALA 641 4.257 -9.871 1.510 243 HB3 ALA 641 HB3 ALA 641 3.052 -10.892 2.294 244 H TRP 642 HN TRP 642 2.221 -6.973 1.461 245 HA TRP 642 HA TRP 642 0.162 -6.880 3.383 246 HB2 TRP 642 HB2 TRP 642 1.973 -5.158 3.048 247 HB3 TRP 642 HB1 TRP 642 1.080 -4.591 1.639 248 HD1 TRP 642 HD1 TRP 642 1.142 -4.372 5.405 249 HE1 TRP 642 HE1 TRP 642 -0.710 -2.769 6.197 250 HE3 TRP 642 HE3 TRP 642 -1.362 -3.781 0.990 251 HZ2 TRP 642 HZ2 TRP 642 -2.936 -1.428 5.093 252 HZ3 TRP 642 HZ3 TRP 642 -3.340 -2.322 0.941 253 HH2 TRP 642 HH2 TRP 642 -4.111 -1.171 2.951 254 H LEU 643 HN LEU 643 0.170 -5.838 -0.028 255 HA LEU 643 HA LEU 643 -2.537 -5.169 -0.184 256 HB2 LEU 643 HB2 LEU 643 -0.592 -6.122 -2.279 257 HB3 LEU 643 HB1 LEU 643 -2.231 -5.632 -2.666 258 HG LEU 643 HG LEU 643 -0.126 -3.869 -1.410 259 HD11 LEU 643 HD11 LEU 643 -0.261 -2.669 -3.584 260 HD12 LEU 643 HD12 LEU 643 -1.240 -3.998 -4.205 261 HD13 LEU 643 HD13 LEU 643 0.424 -4.290 -3.701 262 HD21 LEU 643 HD21 LEU 643 -3.029 -3.575 -1.843 263 HD22 LEU 643 HD22 LEU 643 -2.030 -2.193 -2.294 264 HD23 LEU 643 HD23 LEU 643 -1.975 -2.821 -0.646 265 H GLU 644 HN GLU 644 -0.884 -8.246 -0.793 266 HA GLU 644 HA GLU 644 -3.091 -9.691 -1.730 267 HB2 GLU 644 HB2 GLU 644 -0.568 -10.326 -1.624 268 HB3 GLU 644 HB1 GLU 644 -0.964 -10.960 -0.033 269 HG2 GLU 644 HG2 GLU 644 -1.125 -12.795 -1.455 270 HG3 GLU 644 HG1 GLU 644 -2.794 -12.289 -1.198 271 H MET 645 HN MET 645 -1.963 -9.021 1.539 272 HA MET 645 HA MET 645 -3.961 -10.704 2.763 273 HB2 MET 645 HB2 MET 645 -1.541 -9.600 3.582 274 HB3 MET 645 HB1 MET 645 -2.745 -8.734 4.525 275 HG2 MET 645 HG2 MET 645 -2.968 -11.687 4.363 276 HG3 MET 645 HG1 MET 645 -1.675 -11.003 5.346 277 HE1 MET 645 HE1 MET 645 -3.270 -10.584 8.574 278 HE2 MET 645 HE2 MET 645 -2.255 -9.449 7.686 279 HE3 MET 645 HE3 MET 645 -1.947 -11.181 7.572 280 H ASN 646 HN ASN 646 -3.689 -7.391 1.783 281 HA ASN 646 HA ASN 646 -6.311 -6.838 3.010 282 HB2 ASN 646 HB2 ASN 646 -4.194 -4.763 2.424 283 HB3 ASN 646 HB1 ASN 646 -5.684 -4.546 3.333 284 HD21 ASN 646 HD21 ASN 646 -2.409 -5.471 3.444 285 HD22 ASN 646 HD22 ASN 646 -2.337 -5.869 5.124 286 HA PRO 647 HA PRO 647 -6.729 -6.664 -1.625 287 HB2 PRO 647 HB2 PRO 647 -9.457 -7.535 -0.883 288 HB3 PRO 647 HB1 PRO 647 -8.356 -8.196 -2.095 289 HG2 PRO 647 HG2 PRO 647 -8.840 -9.496 0.191 290 HG3 PRO 647 HG1 PRO 647 -7.230 -9.504 -0.554 291 HD2 PRO 647 HD2 PRO 647 -8.233 -7.919 1.780 292 HD3 PRO 647 HD1 PRO 647 -6.662 -8.713 1.547 293 H GLY 648 HN GLY 648 -7.864 -5.166 -2.868 294 HA2 GLY 648 HA2 GLY 648 -9.621 -3.557 -3.170 295 HA3 GLY 648 HA1 GLY 648 -9.678 -3.351 -1.427 296 H TYR 649 HN TYR 649 -6.572 -3.359 -1.621 297 HA TYR 649 HA TYR 649 -6.388 -0.474 -1.922 298 HB2 TYR 649 HB2 TYR 649 -4.672 -2.593 -0.701 299 HB3 TYR 649 HB1 TYR 649 -3.926 -1.073 -1.178 300 HD1 TYR 649 HD1 TYR 649 -6.548 -2.562 0.966 301 HD2 TYR 649 HD2 TYR 649 -4.185 0.874 0.140 302 HE1 TYR 649 HE1 TYR 649 -7.284 -1.554 3.087 303 HE2 TYR 649 HE2 TYR 649 -4.911 1.897 2.258 304 HH TYR 649 HH TYR 649 -6.893 1.680 3.818 305 H GLU 650 HN GLU 650 -4.811 0.561 -3.223 306 HA GLU 650 HA GLU 650 -3.497 -1.042 -5.279 307 HB2 GLU 650 HB2 GLU 650 -5.486 1.159 -5.836 308 HB3 GLU 650 HB1 GLU 650 -4.326 0.593 -7.031 309 HG2 GLU 650 HG2 GLU 650 -6.024 -1.444 -5.717 310 HG3 GLU 650 HG1 GLU 650 -6.799 -0.355 -6.867 311 H VAL 651 HN VAL 651 -1.778 0.070 -6.361 312 HA VAL 651 HA VAL 651 -0.184 1.651 -4.733 313 HB VAL 651 HB VAL 651 -0.079 1.663 -7.749 314 HG11 VAL 651 HG11 VAL 651 2.078 2.038 -5.674 315 HG12 VAL 651 HG12 VAL 651 1.340 3.321 -6.633 316 HG13 VAL 651 HG13 VAL 651 2.300 2.070 -7.424 317 HG21 VAL 651 HG21 VAL 651 1.614 -0.217 -7.342 318 HG22 VAL 651 HG22 VAL 651 -0.100 -0.617 -7.225 319 HG23 VAL 651 HG23 VAL 651 0.853 -0.382 -5.760 320 H ALA 652 HN ALA 652 -0.205 3.734 -4.180 321 HA ALA 652 HA ALA 652 -2.196 5.500 -5.239 322 HB1 ALA 652 HB1 ALA 652 -0.068 6.664 -3.578 323 HB2 ALA 652 HB2 ALA 652 -0.949 5.322 -2.847 324 HB3 ALA 652 HB3 ALA 652 -1.821 6.748 -3.407 325 HA PRO 653 HA PRO 653 0.281 6.899 -8.721 326 HB2 PRO 653 HB2 PRO 653 -1.671 9.143 -8.571 327 HB3 PRO 653 HB1 PRO 653 -1.198 8.154 -9.956 328 HG2 PRO 653 HG2 PRO 653 -3.546 7.778 -8.759 329 HG3 PRO 653 HG1 PRO 653 -2.593 6.403 -9.350 330 HD2 PRO 653 HD2 PRO 653 -2.968 7.394 -6.557 331 HD3 PRO 653 HD1 PRO 653 -2.825 5.728 -7.156 332 H ARG 654 HN ARG 654 1.630 8.710 -9.219 333 HA ARG 654 HA ARG 654 2.512 10.128 -6.831 334 HB2 ARG 654 HB2 ARG 654 3.717 9.419 -9.450 335 HB3 ARG 654 HB1 ARG 654 4.284 10.901 -8.694 336 HG2 ARG 654 HG2 ARG 654 5.594 9.749 -7.336 337 HG3 ARG 654 HG1 ARG 654 4.213 8.832 -6.731 338 HD2 ARG 654 HD2 ARG 654 5.960 7.379 -7.668 339 HD3 ARG 654 HD1 ARG 654 4.436 7.241 -8.543 340 HE ARG 654 HE ARG 654 5.865 9.129 -9.914 341 HH11 ARG 654 HH11 ARG 654 6.403 5.810 -8.978 342 HH12 ARG 654 HH12 ARG 654 7.402 5.455 -10.348 343 HH21 ARG 654 HH21 ARG 654 7.178 8.663 -11.717 344 HH22 ARG 654 HH22 ARG 654 7.841 7.074 -11.903 345 H SER 655 HN SER 655 2.405 12.295 -6.540 346 HA SER 655 HA SER 655 0.820 13.798 -8.491 347 HB2 SER 655 HB2 SER 655 1.542 14.486 -5.630 348 HB3 SER 655 HB1 SER 655 0.461 15.412 -6.672 349 HG SER 655 HG SER 655 -0.854 13.492 -6.781 350 H ASP 656 HN ASP 656 3.635 13.215 -8.939 351 HA ASP 656 HA ASP 656 4.510 15.925 -9.466 352 HB2 ASP 656 HB2 ASP 656 5.395 14.857 -7.136 353 HB3 ASP 656 HB1 ASP 656 6.643 14.284 -8.239 354 H SER 657 HN SER 657 6.969 15.604 -10.406 355 HA SER 657 HA SER 657 7.008 13.270 -12.165 356 HB2 SER 657 HB2 SER 657 5.946 15.572 -13.127 357 HB3 SER 657 HB1 SER 657 7.648 15.825 -13.517 358 HG SER 657 HG SER 657 7.515 13.620 -14.445 359 H GLU 658 HN GLU 658 8.679 16.302 -11.331 360 HA GLU 658 HA GLU 658 11.254 15.232 -12.031 361 HB2 GLU 658 HB2 GLU 658 10.271 17.757 -11.839 362 HB3 GLU 658 HB1 GLU 658 11.138 17.631 -10.314 363 HG2 GLU 658 HG2 GLU 658 13.147 16.908 -11.617 364 HG3 GLU 658 HG1 GLU 658 12.252 17.296 -13.085 Start of MODEL 6 1 H1 SER 610 HT1 SER 610 16.496 3.173 -7.178 2 H2 SER 610 HT2 SER 610 17.421 1.857 -7.777 3 H3 SER 610 HT3 SER 610 17.566 3.409 -8.497 4 HA SER 610 HA SER 610 19.387 2.717 -6.986 5 HB2 SER 610 HB2 SER 610 17.794 5.243 -6.481 6 HB3 SER 610 HB1 SER 610 19.466 5.002 -5.975 7 HG SER 610 HG SER 610 19.942 4.642 -8.235 8 H GLN 611 HN GLN 611 16.467 3.867 -5.284 9 HA GLN 611 HA GLN 611 16.807 1.878 -3.226 10 HB2 GLN 611 HB2 GLN 611 18.186 4.202 -2.824 11 HB3 GLN 611 HB1 GLN 611 16.660 4.564 -2.031 12 HG2 GLN 611 HG2 GLN 611 16.993 3.048 -0.382 13 HG3 GLN 611 HG1 GLN 611 17.905 1.953 -1.420 14 HE21 GLN 611 HE21 GLN 611 18.075 4.969 0.377 15 HE22 GLN 611 HE22 GLN 611 19.786 4.946 0.617 16 H MET 612 HN MET 612 14.795 2.680 -5.183 17 HA MET 612 HA MET 612 12.657 3.955 -3.756 18 HB2 MET 612 HB2 MET 612 11.300 3.371 -5.740 19 HB3 MET 612 HB1 MET 612 12.786 4.212 -6.158 20 HG2 MET 612 HG2 MET 612 13.053 2.597 -7.665 21 HG3 MET 612 HG1 MET 612 13.565 1.606 -6.302 22 HE1 MET 612 HE1 MET 612 10.651 1.841 -9.154 23 HE2 MET 612 HE2 MET 612 10.496 3.073 -7.900 24 HE3 MET 612 HE3 MET 612 9.321 1.761 -7.999 25 H SER 613 HN SER 613 13.543 0.644 -4.577 26 HA SER 613 HA SER 613 11.156 -0.590 -3.725 27 HB2 SER 613 HB2 SER 613 12.458 -2.667 -3.698 28 HB3 SER 613 HB1 SER 613 12.829 -1.723 -5.141 29 HG SER 613 HG SER 613 14.378 -1.868 -2.766 30 H ASP 614 HN ASP 614 13.795 0.767 -1.982 31 HA ASP 614 HA ASP 614 13.256 -0.722 0.446 32 HB2 ASP 614 HB2 ASP 614 15.285 1.263 -0.443 33 HB3 ASP 614 HB1 ASP 614 14.935 1.193 1.281 34 H LEU 615 HN LEU 615 12.418 2.334 -0.985 35 HA LEU 615 HA LEU 615 11.482 3.514 1.466 36 HB2 LEU 615 HB2 LEU 615 11.084 4.319 -1.416 37 HB3 LEU 615 HB1 LEU 615 10.563 5.271 -0.038 38 HG LEU 615 HG LEU 615 13.445 4.502 -0.375 39 HD11 LEU 615 HD11 LEU 615 11.886 6.523 -1.875 40 HD12 LEU 615 HD12 LEU 615 13.324 5.616 -2.347 41 HD13 LEU 615 HD13 LEU 615 13.471 7.007 -1.272 42 HD21 LEU 615 HD21 LEU 615 11.863 6.397 1.276 43 HD22 LEU 615 HD22 LEU 615 13.487 6.880 0.784 44 HD23 LEU 615 HD23 LEU 615 13.250 5.399 1.712 45 HA PRO 616 HA PRO 616 7.379 1.914 1.484 46 HB2 PRO 616 HB2 PRO 616 5.989 3.918 2.622 47 HB3 PRO 616 HB1 PRO 616 7.166 2.957 3.526 48 HG2 PRO 616 HG2 PRO 616 7.478 5.672 2.302 49 HG3 PRO 616 HG1 PRO 616 8.019 5.091 3.887 50 HD2 PRO 616 HD2 PRO 616 9.670 5.300 1.731 51 HD3 PRO 616 HD1 PRO 616 9.902 4.102 3.020 52 H VAL 617 HN VAL 617 5.470 1.885 0.345 53 HA VAL 617 HA VAL 617 5.097 4.035 -1.639 54 HB VAL 617 HB VAL 617 4.303 1.145 -2.008 55 HG11 VAL 617 HG11 VAL 617 4.121 1.820 -4.384 56 HG12 VAL 617 HG12 VAL 617 4.439 3.488 -3.902 57 HG13 VAL 617 HG13 VAL 617 2.986 2.666 -3.332 58 HG21 VAL 617 HG21 VAL 617 6.288 1.483 -3.784 59 HG22 VAL 617 HG22 VAL 617 6.538 0.828 -2.166 60 HG23 VAL 617 HG23 VAL 617 6.867 2.530 -2.488 61 H LYS 618 HN LYS 618 3.349 5.205 -1.195 62 HA LYS 618 HA LYS 618 1.338 4.417 0.619 63 HB2 LYS 618 HB2 LYS 618 0.159 6.448 -0.099 64 HB3 LYS 618 HB1 LYS 618 1.858 6.764 0.214 65 HG2 LYS 618 HG2 LYS 618 1.224 6.085 -2.568 66 HG3 LYS 618 HG1 LYS 618 0.511 7.589 -1.981 67 HD2 LYS 618 HD2 LYS 618 3.334 7.189 -1.266 68 HD3 LYS 618 HD1 LYS 618 3.020 7.367 -2.994 69 HE2 LYS 618 HE2 LYS 618 2.761 9.560 -2.755 70 HE3 LYS 618 HE1 LYS 618 1.493 9.309 -1.556 71 HZ1 LYS 618 HZ1 LYS 618 2.907 9.658 0.146 72 HZ2 LYS 618 HZ2 LYS 618 3.780 10.528 -1.013 73 HZ3 LYS 618 HZ3 LYS 618 4.228 8.942 -0.634 74 H VAL 619 HN VAL 619 -0.749 3.707 0.325 75 HA VAL 619 HA VAL 619 -1.481 2.876 -2.407 76 HB VAL 619 HB VAL 619 -2.694 0.934 -1.227 77 HG11 VAL 619 HG11 VAL 619 -0.943 -0.482 -1.710 78 HG12 VAL 619 HG12 VAL 619 0.273 0.638 -1.097 79 HG13 VAL 619 HG13 VAL 619 -0.515 0.952 -2.643 80 HG21 VAL 619 HG21 VAL 619 -2.046 0.270 0.891 81 HG22 VAL 619 HG22 VAL 619 -2.110 2.025 1.059 82 HG23 VAL 619 HG23 VAL 619 -0.558 1.216 0.847 83 H ILE 620 HN ILE 620 -3.840 2.398 -2.622 84 HA ILE 620 HA ILE 620 -5.460 4.112 -0.862 85 HB ILE 620 HB ILE 620 -5.104 5.316 -2.932 86 HG12 ILE 620 HG12 ILE 620 -7.409 5.193 -1.758 87 HG13 ILE 620 HG11 ILE 620 -7.322 5.909 -3.362 88 HG21 ILE 620 HG21 ILE 620 -5.468 2.703 -4.119 89 HG22 ILE 620 HG22 ILE 620 -4.702 4.148 -4.775 90 HG23 ILE 620 HG23 ILE 620 -6.445 3.934 -4.917 91 HD11 ILE 620 HD11 ILE 620 -8.791 4.452 -4.140 92 HD12 ILE 620 HD12 ILE 620 -9.002 3.859 -2.492 93 HD13 ILE 620 HD13 ILE 620 -7.830 3.091 -3.563 94 H HIS 621 HN HIS 621 -7.181 3.135 -0.025 95 HA HIS 621 HA HIS 621 -7.849 0.448 -0.929 96 HB2 HIS 621 HB2 HIS 621 -7.511 1.261 1.540 97 HB3 HIS 621 HB1 HIS 621 -9.175 1.804 1.390 98 HD1 HIS 621 HD1 HIS 621 -8.843 -0.254 3.442 99 HD2 HIS 621 HD2 HIS 621 -9.336 -1.268 -0.556 100 HE1 HIS 621 HE1 HIS 621 -9.678 -2.626 3.449 101 HE2 HIS 621 HE2 HIS 621 -10.064 -3.183 1.023 102 H VAL 622 HN VAL 622 -9.563 0.006 -2.156 103 HA VAL 622 HA VAL 622 -11.394 2.142 -2.865 104 HB VAL 622 HB VAL 622 -11.372 -0.702 -3.877 105 HG11 VAL 622 HG11 VAL 622 -12.439 1.727 -5.279 106 HG12 VAL 622 HG12 VAL 622 -13.433 0.780 -4.172 107 HG13 VAL 622 HG13 VAL 622 -12.759 0.026 -5.617 108 HG21 VAL 622 HG21 VAL 622 -9.317 1.056 -4.188 109 HG22 VAL 622 HG22 VAL 622 -10.304 1.414 -5.605 110 HG23 VAL 622 HG23 VAL 622 -9.722 -0.227 -5.327 111 H GLU 623 HN GLU 623 -11.405 -0.831 -1.028 112 HA GLU 623 HA GLU 623 -14.217 -1.131 -0.840 113 HB2 GLU 623 HB2 GLU 623 -11.884 -2.205 0.708 114 HB3 GLU 623 HB1 GLU 623 -13.522 -2.476 1.282 115 HG2 GLU 623 HG2 GLU 623 -14.066 -3.508 -0.903 116 HG3 GLU 623 HG1 GLU 623 -12.372 -3.333 -1.362 117 H SER 624 HN SER 624 -11.831 0.588 1.100 118 HA SER 624 HA SER 624 -13.985 1.542 2.857 119 HB2 SER 624 HB2 SER 624 -12.005 0.455 3.929 120 HB3 SER 624 HB1 SER 624 -10.998 1.754 3.292 121 HG SER 624 HG SER 624 -11.974 3.182 4.618 122 H GLY 625 HN GLY 625 -11.722 2.530 0.436 123 HA2 GLY 625 HA2 GLY 625 -11.845 4.522 -0.787 124 HA3 GLY 625 HA1 GLY 625 -12.891 5.194 0.453 125 H LYS 626 HN LYS 626 -10.686 4.113 2.400 126 HA LYS 626 HA LYS 626 -9.376 6.616 2.710 127 HB2 LYS 626 HB2 LYS 626 -9.065 3.927 4.021 128 HB3 LYS 626 HB1 LYS 626 -7.984 5.260 4.403 129 HG2 LYS 626 HG2 LYS 626 -10.202 6.564 4.827 130 HG3 LYS 626 HG1 LYS 626 -10.887 4.946 4.994 131 HD2 LYS 626 HD2 LYS 626 -10.250 5.160 7.143 132 HD3 LYS 626 HD1 LYS 626 -8.660 4.715 6.518 133 HE2 LYS 626 HE2 LYS 626 -8.542 6.690 7.959 134 HE3 LYS 626 HE1 LYS 626 -8.069 7.065 6.302 135 HZ1 LYS 626 HZ1 LYS 626 -9.775 8.539 7.673 136 HZ2 LYS 626 HZ2 LYS 626 -10.874 7.455 6.983 137 HZ3 LYS 626 HZ3 LYS 626 -9.862 8.379 5.990 138 H ILE 627 HN ILE 627 -7.068 6.984 2.671 139 HA ILE 627 HA ILE 627 -5.621 5.234 0.794 140 HB ILE 627 HB ILE 627 -5.402 8.243 0.818 141 HG12 ILE 627 HG12 ILE 627 -6.498 7.254 -1.624 142 HG13 ILE 627 HG11 ILE 627 -7.458 6.607 -0.299 143 HG21 ILE 627 HG21 ILE 627 -3.587 6.455 -0.058 144 HG22 ILE 627 HG22 ILE 627 -3.808 8.055 -0.766 145 HG23 ILE 627 HG23 ILE 627 -4.563 6.648 -1.513 146 HD11 ILE 627 HD11 ILE 627 -7.342 9.291 -1.373 147 HD12 ILE 627 HD12 ILE 627 -7.134 9.257 0.378 148 HD13 ILE 627 HD13 ILE 627 -8.563 8.528 -0.356 149 H LEU 628 HN LEU 628 -3.927 4.385 1.806 150 HA LEU 628 HA LEU 628 -2.792 5.683 4.131 151 HB2 LEU 628 HB2 LEU 628 -1.905 3.126 2.798 152 HB3 LEU 628 HB1 LEU 628 -1.485 3.675 4.409 153 HG LEU 628 HG LEU 628 -4.332 3.098 3.633 154 HD11 LEU 628 HD11 LEU 628 -4.082 0.876 4.545 155 HD12 LEU 628 HD12 LEU 628 -2.372 1.168 4.865 156 HD13 LEU 628 HD13 LEU 628 -2.958 1.096 3.203 157 HD21 LEU 628 HD21 LEU 628 -4.473 4.171 5.630 158 HD22 LEU 628 HD22 LEU 628 -2.843 3.709 6.119 159 HD23 LEU 628 HD23 LEU 628 -4.159 2.542 6.229 160 H THR 629 HN THR 629 -0.971 6.847 4.188 161 HA THR 629 HA THR 629 0.426 7.355 1.697 162 HB THR 629 HB THR 629 1.189 9.296 2.638 163 HG1 THR 629 HG1 THR 629 1.227 7.973 5.145 164 HG21 THR 629 HG21 THR 629 -0.450 10.378 3.804 165 HG22 THR 629 HG22 THR 629 -0.818 8.975 4.808 166 HG23 THR 629 HG23 THR 629 -1.356 9.024 3.128 167 H GLY 630 HN GLY 630 2.872 7.463 1.766 168 HA2 GLY 630 HA2 GLY 630 3.985 4.979 2.122 169 HA3 GLY 630 HA1 GLY 630 4.918 6.468 2.115 170 H THR 631 HN THR 631 3.380 7.367 4.561 171 HA THR 631 HA THR 631 5.254 6.509 6.476 172 HB THR 631 HB THR 631 4.092 7.869 8.009 173 HG1 THR 631 HG1 THR 631 1.919 8.498 7.641 174 HG21 THR 631 HG21 THR 631 4.561 8.863 5.430 175 HG22 THR 631 HG22 THR 631 4.465 9.763 6.943 176 HG23 THR 631 HG23 THR 631 3.018 9.532 5.962 177 H ASP 632 HN ASP 632 1.866 5.587 5.924 178 HA ASP 632 HA ASP 632 2.095 3.550 8.018 179 HB2 ASP 632 HB2 ASP 632 0.033 5.260 7.339 180 HB3 ASP 632 HB1 ASP 632 -0.478 3.726 6.642 181 H ALA 633 HN ALA 633 1.625 3.898 4.570 182 HA ALA 633 HA ALA 633 0.865 1.287 3.937 183 HB1 ALA 633 HB1 ALA 633 2.340 3.352 2.318 184 HB2 ALA 633 HB2 ALA 633 0.609 3.014 2.317 185 HB3 ALA 633 HB3 ALA 633 1.738 1.830 1.660 186 HA PRO 634 HA PRO 634 4.561 -1.104 4.323 187 HB2 PRO 634 HB2 PRO 634 4.197 -2.988 2.445 188 HB3 PRO 634 HB1 PRO 634 3.161 -2.896 3.876 189 HG2 PRO 634 HG2 PRO 634 2.648 -1.867 1.104 190 HG3 PRO 634 HG1 PRO 634 1.571 -2.796 2.161 191 HD2 PRO 634 HD2 PRO 634 1.400 -0.104 1.904 192 HD3 PRO 634 HD1 PRO 634 1.000 -0.946 3.415 193 H LYS 635 HN LYS 635 6.517 -1.808 3.209 194 HA LYS 635 HA LYS 635 7.262 0.059 1.097 195 HB2 LYS 635 HB2 LYS 635 9.580 -0.825 1.526 196 HB3 LYS 635 HB1 LYS 635 8.827 -0.018 2.893 197 HG2 LYS 635 HG2 LYS 635 9.115 -1.808 4.153 198 HG3 LYS 635 HG1 LYS 635 8.205 -2.798 3.011 199 HD2 LYS 635 HD2 LYS 635 10.112 -3.893 2.628 200 HD3 LYS 635 HD1 LYS 635 10.663 -2.447 1.779 201 HE2 LYS 635 HE2 LYS 635 12.053 -1.838 3.450 202 HE3 LYS 635 HE1 LYS 635 10.951 -2.391 4.710 203 HZ1 LYS 635 HZ1 LYS 635 13.224 -3.620 4.122 204 HZ2 LYS 635 HZ2 LYS 635 12.187 -4.462 3.086 205 HZ3 LYS 635 HZ3 LYS 635 11.876 -4.431 4.748 206 H ALA 636 HN ALA 636 8.703 -0.804 -0.669 207 HA ALA 636 HA ALA 636 7.346 -2.605 -2.265 208 HB1 ALA 636 HB1 ALA 636 10.262 -2.512 -2.677 209 HB2 ALA 636 HB2 ALA 636 9.434 -0.954 -2.656 210 HB3 ALA 636 HB3 ALA 636 8.941 -2.199 -3.803 211 H GLY 637 HN GLY 637 9.652 -3.242 0.259 212 HA2 GLY 637 HA2 GLY 637 10.407 -5.854 -0.525 213 HA3 GLY 637 HA1 GLY 637 10.536 -5.188 1.094 214 H GLN 638 HN GLN 638 7.708 -4.679 1.443 215 HA GLN 638 HA GLN 638 6.685 -7.445 1.479 216 HB2 GLN 638 HB2 GLN 638 6.044 -5.497 3.667 217 HB3 GLN 638 HB1 GLN 638 5.947 -7.252 3.686 218 HG2 GLN 638 HG2 GLN 638 8.626 -6.732 3.226 219 HG3 GLN 638 HG1 GLN 638 8.141 -5.505 4.394 220 HE21 GLN 638 HE21 GLN 638 7.633 -8.969 3.796 221 HE22 GLN 638 HE22 GLN 638 7.845 -9.458 5.439 222 H LEU 639 HN LEU 639 6.179 -4.897 -0.193 223 HA LEU 639 HA LEU 639 3.560 -4.017 0.359 224 HB2 LEU 639 HB2 LEU 639 5.054 -2.742 -1.058 225 HB3 LEU 639 HB1 LEU 639 5.114 -4.050 -2.225 226 HG LEU 639 HG LEU 639 2.542 -3.684 -2.402 227 HD11 LEU 639 HD11 LEU 639 1.910 -2.176 -0.825 228 HD12 LEU 639 HD12 LEU 639 2.281 -1.055 -2.136 229 HD13 LEU 639 HD13 LEU 639 3.458 -1.330 -0.851 230 HD21 LEU 639 HD21 LEU 639 4.688 -1.927 -3.549 231 HD22 LEU 639 HD22 LEU 639 3.000 -1.768 -4.032 232 HD23 LEU 639 HD23 LEU 639 3.853 -3.289 -4.297 233 H GLU 640 HN GLU 640 4.724 -6.344 -2.083 234 HA GLU 640 HA GLU 640 2.288 -7.102 -3.131 235 HB2 GLU 640 HB2 GLU 640 4.884 -8.563 -2.785 236 HB3 GLU 640 HB1 GLU 640 3.491 -9.381 -3.479 237 HG2 GLU 640 HG2 GLU 640 3.499 -7.149 -4.970 238 HG3 GLU 640 HG1 GLU 640 5.219 -7.283 -4.609 239 H ALA 641 HN ALA 641 3.941 -8.383 -0.286 240 HA ALA 641 HA ALA 641 2.037 -10.407 0.275 241 HB1 ALA 641 HB1 ALA 641 4.451 -10.169 1.138 242 HB2 ALA 641 HB2 ALA 641 3.228 -10.803 2.238 243 HB3 ALA 641 HB3 ALA 641 3.750 -9.124 2.374 244 H TRP 642 HN TRP 642 2.384 -7.052 1.261 245 HA TRP 642 HA TRP 642 0.360 -7.068 3.237 246 HB2 TRP 642 HB2 TRP 642 2.175 -5.316 2.902 247 HB3 TRP 642 HB1 TRP 642 1.182 -4.675 1.596 248 HD1 TRP 642 HD1 TRP 642 1.536 -4.643 5.336 249 HE1 TRP 642 HE1 TRP 642 -0.298 -3.156 6.363 250 HE3 TRP 642 HE3 TRP 642 -1.371 -3.947 1.188 251 HZ2 TRP 642 HZ2 TRP 642 -2.656 -1.857 5.529 252 HZ3 TRP 642 HZ3 TRP 642 -3.398 -2.566 1.387 253 HH2 TRP 642 HH2 TRP 642 -4.024 -1.544 3.514 254 H LEU 643 HN LEU 643 0.342 -6.080 -0.181 255 HA LEU 643 HA LEU 643 -2.350 -5.316 -0.303 256 HB2 LEU 643 HB2 LEU 643 -0.393 -6.283 -2.365 257 HB3 LEU 643 HB1 LEU 643 -2.056 -5.935 -2.798 258 HG LEU 643 HG LEU 643 -0.265 -3.907 -1.472 259 HD11 LEU 643 HD11 LEU 643 -0.850 -3.672 -4.351 260 HD12 LEU 643 HD12 LEU 643 0.308 -4.922 -3.895 261 HD13 LEU 643 HD13 LEU 643 0.602 -3.243 -3.444 262 HD21 LEU 643 HD21 LEU 643 -2.690 -3.538 -1.312 263 HD22 LEU 643 HD22 LEU 643 -2.807 -3.619 -3.071 264 HD23 LEU 643 HD23 LEU 643 -1.894 -2.317 -2.306 265 H GLU 644 HN GLU 644 -0.784 -8.445 -0.809 266 HA GLU 644 HA GLU 644 -3.062 -9.846 -1.690 267 HB2 GLU 644 HB2 GLU 644 -0.396 -10.446 -1.327 268 HB3 GLU 644 HB1 GLU 644 -1.178 -11.425 -0.093 269 HG2 GLU 644 HG2 GLU 644 -1.919 -12.881 -1.592 270 HG3 GLU 644 HG1 GLU 644 -2.564 -11.603 -2.622 271 H MET 645 HN MET 645 -1.738 -9.256 1.533 272 HA MET 645 HA MET 645 -3.751 -10.843 2.845 273 HB2 MET 645 HB2 MET 645 -1.324 -10.281 3.629 274 HB3 MET 645 HB1 MET 645 -2.057 -8.809 4.252 275 HG2 MET 645 HG2 MET 645 -3.558 -10.097 5.636 276 HG3 MET 645 HG1 MET 645 -2.932 -11.599 4.959 277 HE1 MET 645 HE1 MET 645 -2.231 -8.392 6.568 278 HE2 MET 645 HE2 MET 645 -0.484 -8.450 6.808 279 HE3 MET 645 HE3 MET 645 -1.570 -8.890 8.126 280 H ASN 646 HN ASN 646 -3.528 -7.626 1.691 281 HA ASN 646 HA ASN 646 -6.024 -6.956 3.097 282 HB2 ASN 646 HB2 ASN 646 -3.824 -4.978 2.470 283 HB3 ASN 646 HB1 ASN 646 -5.300 -4.667 3.374 284 HD21 ASN 646 HD21 ASN 646 -2.092 -5.841 3.486 285 HD22 ASN 646 HD22 ASN 646 -2.041 -6.200 5.175 286 HA PRO 647 HA PRO 647 -6.409 -6.757 -1.600 287 HB2 PRO 647 HB2 PRO 647 -9.079 -7.792 -0.814 288 HB3 PRO 647 HB1 PRO 647 -8.013 -8.308 -2.124 289 HG2 PRO 647 HG2 PRO 647 -8.293 -9.790 0.073 290 HG3 PRO 647 HG1 PRO 647 -6.720 -9.632 -0.731 291 HD2 PRO 647 HD2 PRO 647 -7.718 -8.321 1.763 292 HD3 PRO 647 HD1 PRO 647 -6.098 -8.942 1.384 293 H GLY 648 HN GLY 648 -7.691 -5.319 -2.803 294 HA2 GLY 648 HA2 GLY 648 -9.526 -3.783 -3.011 295 HA3 GLY 648 HA1 GLY 648 -9.516 -3.599 -1.264 296 H TYR 649 HN TYR 649 -6.422 -3.476 -1.599 297 HA TYR 649 HA TYR 649 -6.366 -0.584 -1.839 298 HB2 TYR 649 HB2 TYR 649 -4.494 -2.665 -0.794 299 HB3 TYR 649 HB1 TYR 649 -3.843 -1.099 -1.264 300 HD1 TYR 649 HD1 TYR 649 -4.170 0.824 0.096 301 HD2 TYR 649 HD2 TYR 649 -6.197 -2.798 1.016 302 HE1 TYR 649 HE1 TYR 649 -4.821 1.754 2.278 303 HE2 TYR 649 HE2 TYR 649 -6.858 -1.882 3.201 304 HH TYR 649 HH TYR 649 -6.519 1.421 3.988 305 H GLU 650 HN GLU 650 -4.641 0.483 -3.073 306 HA GLU 650 HA GLU 650 -3.542 -0.999 -5.318 307 HB2 GLU 650 HB2 GLU 650 -5.507 1.271 -5.656 308 HB3 GLU 650 HB1 GLU 650 -4.448 0.707 -6.941 309 HG2 GLU 650 HG2 GLU 650 -5.479 -1.580 -6.595 310 HG3 GLU 650 HG1 GLU 650 -6.689 -0.770 -5.601 311 H VAL 651 HN VAL 651 -1.955 0.239 -6.529 312 HA VAL 651 HA VAL 651 -0.216 1.694 -4.891 313 HB VAL 651 HB VAL 651 -0.285 1.825 -7.906 314 HG11 VAL 651 HG11 VAL 651 2.158 2.113 -7.645 315 HG12 VAL 651 HG12 VAL 651 1.935 2.173 -5.896 316 HG13 VAL 651 HG13 VAL 651 1.226 3.422 -6.920 317 HG21 VAL 651 HG21 VAL 651 -0.303 -0.474 -7.480 318 HG22 VAL 651 HG22 VAL 651 0.726 -0.311 -6.058 319 HG23 VAL 651 HG23 VAL 651 1.407 -0.087 -7.668 320 H ALA 652 HN ALA 652 -0.265 3.727 -4.207 321 HA ALA 652 HA ALA 652 -2.101 5.612 -5.484 322 HB1 ALA 652 HB1 ALA 652 -2.422 5.430 -3.135 323 HB2 ALA 652 HB2 ALA 652 -1.661 6.993 -3.435 324 HB3 ALA 652 HB3 ALA 652 -0.700 5.648 -2.820 325 HA PRO 653 HA PRO 653 1.539 7.419 -7.429 326 HB2 PRO 653 HB2 PRO 653 0.216 9.307 -8.855 327 HB3 PRO 653 HB1 PRO 653 0.276 7.609 -9.342 328 HG2 PRO 653 HG2 PRO 653 -1.895 9.093 -7.911 329 HG3 PRO 653 HG1 PRO 653 -2.025 7.923 -9.237 330 HD2 PRO 653 HD2 PRO 653 -2.482 7.257 -6.651 331 HD3 PRO 653 HD1 PRO 653 -1.809 6.112 -7.829 332 H ARG 654 HN ARG 654 2.637 9.453 -7.369 333 HA ARG 654 HA ARG 654 1.796 11.121 -5.104 334 HB2 ARG 654 HB2 ARG 654 4.220 11.942 -5.260 335 HB3 ARG 654 HB1 ARG 654 3.954 10.304 -4.680 336 HG2 ARG 654 HG2 ARG 654 4.330 10.516 -7.578 337 HG3 ARG 654 HG1 ARG 654 5.725 11.004 -6.614 338 HD2 ARG 654 HD2 ARG 654 6.236 8.844 -6.452 339 HD3 ARG 654 HD1 ARG 654 4.833 8.673 -5.399 340 HE ARG 654 HE ARG 654 3.728 7.598 -7.094 341 HH11 ARG 654 HH11 ARG 654 6.560 9.166 -8.397 342 HH12 ARG 654 HH12 ARG 654 6.415 8.414 -9.951 343 HH21 ARG 654 HH21 ARG 654 3.535 6.609 -9.137 344 HH22 ARG 654 HH22 ARG 654 4.698 6.962 -10.371 345 H SER 655 HN SER 655 1.319 13.226 -5.346 346 HA SER 655 HA SER 655 1.210 14.281 -8.052 347 HB2 SER 655 HB2 SER 655 -0.557 14.453 -6.014 348 HB3 SER 655 HB1 SER 655 0.320 15.965 -5.783 349 HG SER 655 HG SER 655 -1.442 16.234 -7.201 350 H ASP 656 HN ASP 656 2.885 14.842 -5.029 351 HA ASP 656 HA ASP 656 3.999 17.355 -5.642 352 HB2 ASP 656 HB2 ASP 656 4.749 15.150 -3.745 353 HB3 ASP 656 HB1 ASP 656 5.801 16.548 -3.945 354 H SER 657 HN SER 657 4.708 17.254 -7.803 355 HA SER 657 HA SER 657 7.363 16.063 -8.090 356 HB2 SER 657 HB2 SER 657 5.235 14.766 -9.179 357 HB3 SER 657 HB1 SER 657 5.677 15.840 -10.507 358 HG SER 657 HG SER 657 6.850 13.582 -9.773 359 H GLU 658 HN GLU 658 4.986 17.784 -10.125 360 HA GLU 658 HA GLU 658 6.954 19.941 -10.458 361 HB2 GLU 658 HB2 GLU 658 6.143 20.108 -12.860 362 HB3 GLU 658 HB1 GLU 658 7.175 18.737 -12.480 363 HG2 GLU 658 HG2 GLU 658 5.096 17.365 -12.216 364 HG3 GLU 658 HG1 GLU 658 4.194 18.738 -12.854 Start of MODEL 7 1 H1 SER 610 HT1 SER 610 17.831 4.575 0.323 2 H2 SER 610 HT2 SER 610 16.960 5.615 -0.729 3 H3 SER 610 HT3 SER 610 18.477 6.107 -0.093 4 HA SER 610 HA SER 610 18.946 5.490 -2.225 5 HB2 SER 610 HB2 SER 610 20.071 4.237 -0.104 6 HB3 SER 610 HB1 SER 610 19.502 2.839 -1.016 7 HG SER 610 HG SER 610 21.322 3.149 -2.046 8 H GLN 611 HN GLN 611 17.748 5.039 -3.949 9 HA GLN 611 HA GLN 611 16.418 3.948 -5.434 10 HB2 GLN 611 HB2 GLN 611 18.006 1.982 -4.309 11 HB3 GLN 611 HB1 GLN 611 16.382 1.337 -4.123 12 HG2 GLN 611 HG2 GLN 611 16.183 0.903 -6.299 13 HG3 GLN 611 HG1 GLN 611 16.878 2.454 -6.766 14 HE21 GLN 611 HE21 GLN 611 19.358 2.428 -5.857 15 HE22 GLN 611 HE22 GLN 611 20.268 1.116 -6.516 16 H MET 612 HN MET 612 14.258 3.745 -5.699 17 HA MET 612 HA MET 612 12.527 4.321 -3.574 18 HB2 MET 612 HB2 MET 612 10.709 3.739 -5.187 19 HB3 MET 612 HB1 MET 612 11.886 4.885 -5.813 20 HG2 MET 612 HG2 MET 612 12.571 3.496 -7.428 21 HG3 MET 612 HG1 MET 612 12.498 2.079 -6.383 22 HE1 MET 612 HE1 MET 612 9.230 0.698 -6.442 23 HE2 MET 612 HE2 MET 612 8.742 2.284 -5.843 24 HE3 MET 612 HE3 MET 612 10.262 1.567 -5.307 25 H SER 613 HN SER 613 13.752 1.308 -4.755 26 HA SER 613 HA SER 613 11.801 -0.484 -3.933 27 HB2 SER 613 HB2 SER 613 13.740 -2.100 -3.648 28 HB3 SER 613 HB1 SER 613 13.633 -1.307 -5.219 29 HG SER 613 HG SER 613 15.521 -0.480 -4.864 30 H ASP 614 HN ASP 614 14.033 1.380 -2.041 31 HA ASP 614 HA ASP 614 13.495 -0.181 0.364 32 HB2 ASP 614 HB2 ASP 614 15.753 1.078 -0.464 33 HB3 ASP 614 HB1 ASP 614 15.061 2.315 0.581 34 H LEU 615 HN LEU 615 12.602 2.816 -1.155 35 HA LEU 615 HA LEU 615 11.483 4.008 1.200 36 HB2 LEU 615 HB2 LEU 615 10.791 4.751 -1.628 37 HB3 LEU 615 HB1 LEU 615 10.771 5.770 -0.201 38 HG LEU 615 HG LEU 615 13.261 4.671 -1.509 39 HD11 LEU 615 HD11 LEU 615 13.573 6.696 -2.556 40 HD12 LEU 615 HD12 LEU 615 12.511 7.557 -1.442 41 HD13 LEU 615 HD13 LEU 615 11.824 6.505 -2.679 42 HD21 LEU 615 HD21 LEU 615 13.196 5.164 1.028 43 HD22 LEU 615 HD22 LEU 615 13.158 6.856 0.532 44 HD23 LEU 615 HD23 LEU 615 14.513 5.829 0.060 45 HA PRO 616 HA PRO 616 7.553 1.981 1.125 46 HB2 PRO 616 HB2 PRO 616 6.072 3.733 2.536 47 HB3 PRO 616 HB1 PRO 616 7.339 2.756 3.287 48 HG2 PRO 616 HG2 PRO 616 7.428 5.613 2.392 49 HG3 PRO 616 HG1 PRO 616 8.056 4.888 3.883 50 HD2 PRO 616 HD2 PRO 616 9.622 5.466 1.728 51 HD3 PRO 616 HD1 PRO 616 9.975 4.146 2.862 52 H VAL 617 HN VAL 617 5.553 2.011 0.095 53 HA VAL 617 HA VAL 617 5.066 4.322 -1.669 54 HB VAL 617 HB VAL 617 4.318 1.460 -2.268 55 HG11 VAL 617 HG11 VAL 617 2.939 3.161 -3.365 56 HG12 VAL 617 HG12 VAL 617 3.938 2.288 -4.527 57 HG13 VAL 617 HG13 VAL 617 4.392 3.915 -4.020 58 HG21 VAL 617 HG21 VAL 617 6.185 1.546 -3.916 59 HG22 VAL 617 HG22 VAL 617 6.713 1.569 -2.234 60 HG23 VAL 617 HG23 VAL 617 6.707 3.059 -3.177 61 H LYS 618 HN LYS 618 3.266 5.390 -1.192 62 HA LYS 618 HA LYS 618 1.356 4.483 0.670 63 HB2 LYS 618 HB2 LYS 618 0.052 6.464 0.011 64 HB3 LYS 618 HB1 LYS 618 1.742 6.858 0.294 65 HG2 LYS 618 HG2 LYS 618 1.049 6.198 -2.485 66 HG3 LYS 618 HG1 LYS 618 0.327 7.674 -1.844 67 HD2 LYS 618 HD2 LYS 618 3.164 7.364 -1.199 68 HD3 LYS 618 HD1 LYS 618 2.832 7.480 -2.928 69 HE2 LYS 618 HE2 LYS 618 2.254 9.644 -2.792 70 HE3 LYS 618 HE1 LYS 618 1.353 9.407 -1.294 71 HZ1 LYS 618 HZ1 LYS 618 3.237 10.848 -0.930 72 HZ2 LYS 618 HZ2 LYS 618 4.301 9.682 -1.535 73 HZ3 LYS 618 HZ3 LYS 618 3.467 9.396 -0.093 74 H VAL 619 HN VAL 619 -0.755 3.753 0.413 75 HA VAL 619 HA VAL 619 -1.441 2.803 -2.293 76 HB VAL 619 HB VAL 619 -2.685 0.938 -1.079 77 HG11 VAL 619 HG11 VAL 619 0.206 0.559 -0.577 78 HG12 VAL 619 HG12 VAL 619 -0.278 0.986 -2.218 79 HG13 VAL 619 HG13 VAL 619 -0.938 -0.459 -1.452 80 HG21 VAL 619 HG21 VAL 619 -1.976 0.343 1.130 81 HG22 VAL 619 HG22 VAL 619 -2.525 2.018 1.162 82 HG23 VAL 619 HG23 VAL 619 -0.799 1.656 1.159 83 H ILE 620 HN ILE 620 -3.782 2.366 -2.584 84 HA ILE 620 HA ILE 620 -5.441 4.235 -1.024 85 HB ILE 620 HB ILE 620 -5.028 5.207 -3.212 86 HG12 ILE 620 HG12 ILE 620 -7.339 5.495 -3.962 87 HG13 ILE 620 HG11 ILE 620 -7.825 4.056 -3.071 88 HG21 ILE 620 HG21 ILE 620 -5.036 2.575 -4.106 89 HG22 ILE 620 HG22 ILE 620 -4.873 4.029 -5.091 90 HG23 ILE 620 HG23 ILE 620 -6.462 3.303 -4.846 91 HD11 ILE 620 HD11 ILE 620 -8.139 5.242 -1.234 92 HD12 ILE 620 HD12 ILE 620 -7.829 6.698 -2.180 93 HD13 ILE 620 HD13 ILE 620 -6.507 5.906 -1.322 94 H HIS 621 HN HIS 621 -7.199 3.360 -0.142 95 HA HIS 621 HA HIS 621 -7.901 0.615 -0.859 96 HB2 HIS 621 HB2 HIS 621 -7.505 1.496 1.555 97 HB3 HIS 621 HB1 HIS 621 -9.124 2.155 1.408 98 HD1 HIS 621 HD1 HIS 621 -10.030 0.568 3.232 99 HD2 HIS 621 HD2 HIS 621 -8.421 -1.377 -0.066 100 HE1 HIS 621 HE1 HIS 621 -10.759 -1.828 3.444 101 HE2 HIS 621 HE2 HIS 621 -9.864 -2.963 1.380 102 H VAL 622 HN VAL 622 -9.514 0.257 -2.225 103 HA VAL 622 HA VAL 622 -11.421 2.371 -2.817 104 HB VAL 622 HB VAL 622 -11.271 -0.369 -4.073 105 HG11 VAL 622 HG11 VAL 622 -12.181 1.963 -5.613 106 HG12 VAL 622 HG12 VAL 622 -13.233 1.490 -4.279 107 HG13 VAL 622 HG13 VAL 622 -12.829 0.324 -5.539 108 HG21 VAL 622 HG21 VAL 622 -10.017 2.135 -5.171 109 HG22 VAL 622 HG22 VAL 622 -9.820 0.474 -5.733 110 HG23 VAL 622 HG23 VAL 622 -9.123 0.972 -4.191 111 H GLU 623 HN GLU 623 -11.294 -0.695 -1.171 112 HA GLU 623 HA GLU 623 -14.029 -1.321 -1.137 113 HB2 GLU 623 HB2 GLU 623 -11.986 -2.728 -0.395 114 HB3 GLU 623 HB1 GLU 623 -12.188 -1.931 1.159 115 HG2 GLU 623 HG2 GLU 623 -14.072 -3.072 1.659 116 HG3 GLU 623 HG1 GLU 623 -14.605 -3.147 -0.020 117 H SER 624 HN SER 624 -12.083 0.763 0.933 118 HA SER 624 HA SER 624 -14.560 1.605 2.291 119 HB2 SER 624 HB2 SER 624 -11.741 1.561 3.391 120 HB3 SER 624 HB1 SER 624 -13.148 2.205 4.237 121 HG SER 624 HG SER 624 -12.303 -0.263 4.254 122 H GLY 625 HN GLY 625 -11.764 2.591 0.505 123 HA2 GLY 625 HA2 GLY 625 -11.670 4.633 -0.681 124 HA3 GLY 625 HA1 GLY 625 -12.815 5.321 0.459 125 H LYS 626 HN LYS 626 -10.680 3.764 2.367 126 HA LYS 626 HA LYS 626 -9.443 6.162 3.249 127 HB2 LYS 626 HB2 LYS 626 -9.465 3.331 4.046 128 HB3 LYS 626 HB1 LYS 626 -7.962 4.170 4.403 129 HG2 LYS 626 HG2 LYS 626 -8.892 5.023 6.216 130 HG3 LYS 626 HG1 LYS 626 -10.058 5.877 5.204 131 HD2 LYS 626 HD2 LYS 626 -11.432 4.641 6.599 132 HD3 LYS 626 HD1 LYS 626 -11.311 3.600 5.180 133 HE2 LYS 626 HE2 LYS 626 -9.186 2.738 6.608 134 HE3 LYS 626 HE1 LYS 626 -10.274 3.217 7.911 135 HZ1 LYS 626 HZ1 LYS 626 -10.344 0.830 6.773 136 HZ2 LYS 626 HZ2 LYS 626 -11.442 1.632 5.767 137 HZ3 LYS 626 HZ3 LYS 626 -11.715 1.567 7.435 138 H ILE 627 HN ILE 627 -7.287 6.807 3.128 139 HA ILE 627 HA ILE 627 -5.701 5.477 1.027 140 HB ILE 627 HB ILE 627 -5.569 8.419 1.663 141 HG12 ILE 627 HG12 ILE 627 -6.779 7.947 -0.876 142 HG13 ILE 627 HG11 ILE 627 -7.671 7.023 0.328 143 HG21 ILE 627 HG21 ILE 627 -4.793 7.162 -0.929 144 HG22 ILE 627 HG22 ILE 627 -3.706 7.044 0.455 145 HG23 ILE 627 HG23 ILE 627 -4.182 8.627 -0.161 146 HD11 ILE 627 HD11 ILE 627 -8.418 8.884 1.401 147 HD12 ILE 627 HD12 ILE 627 -8.290 9.510 -0.243 148 HD13 ILE 627 HD13 ILE 627 -7.020 9.854 0.933 149 H LEU 628 HN LEU 628 -3.890 4.599 1.781 150 HA LEU 628 HA LEU 628 -2.764 5.603 4.289 151 HB2 LEU 628 HB2 LEU 628 -2.027 3.100 2.767 152 HB3 LEU 628 HB1 LEU 628 -1.500 3.539 4.380 153 HG LEU 628 HG LEU 628 -4.395 3.072 3.697 154 HD11 LEU 628 HD11 LEU 628 -3.030 1.056 3.224 155 HD12 LEU 628 HD12 LEU 628 -4.175 0.838 4.548 156 HD13 LEU 628 HD13 LEU 628 -2.465 1.093 4.895 157 HD21 LEU 628 HD21 LEU 628 -4.490 4.111 5.707 158 HD22 LEU 628 HD22 LEU 628 -2.839 3.668 6.139 159 HD23 LEU 628 HD23 LEU 628 -4.138 2.485 6.291 160 H THR 629 HN THR 629 -0.953 6.777 4.330 161 HA THR 629 HA THR 629 0.405 7.339 1.830 162 HB THR 629 HB THR 629 1.177 9.252 2.801 163 HG1 THR 629 HG1 THR 629 1.259 7.989 5.337 164 HG21 THR 629 HG21 THR 629 -0.449 10.292 3.975 165 HG22 THR 629 HG22 THR 629 -0.665 8.943 5.090 166 HG23 THR 629 HG23 THR 629 -1.358 8.868 3.471 167 H GLY 630 HN GLY 630 2.851 7.422 1.854 168 HA2 GLY 630 HA2 GLY 630 3.942 4.916 2.110 169 HA3 GLY 630 HA1 GLY 630 4.890 6.394 2.114 170 H THR 631 HN THR 631 3.392 7.207 4.642 171 HA THR 631 HA THR 631 5.341 6.254 6.464 172 HB THR 631 HB THR 631 2.762 7.464 7.381 173 HG1 THR 631 HG1 THR 631 4.864 8.931 6.176 174 HG21 THR 631 HG21 THR 631 4.728 8.890 8.532 175 HG22 THR 631 HG22 THR 631 5.531 7.331 8.348 176 HG23 THR 631 HG23 THR 631 4.013 7.442 9.240 177 H ASP 632 HN ASP 632 1.903 5.466 6.019 178 HA ASP 632 HA ASP 632 2.136 3.366 8.048 179 HB2 ASP 632 HB2 ASP 632 -0.138 4.846 6.815 180 HB3 ASP 632 HB1 ASP 632 -0.438 3.213 7.403 181 H ALA 633 HN ALA 633 1.846 3.823 4.639 182 HA ALA 633 HA ALA 633 0.830 1.340 3.856 183 HB1 ALA 633 HB1 ALA 633 0.858 3.030 2.231 184 HB2 ALA 633 HB2 ALA 633 2.055 1.856 1.683 185 HB3 ALA 633 HB3 ALA 633 2.578 3.346 2.466 186 HA PRO 634 HA PRO 634 4.133 -1.529 4.439 187 HB2 PRO 634 HB2 PRO 634 3.875 -3.134 2.272 188 HB3 PRO 634 HB1 PRO 634 2.714 -3.142 3.604 189 HG2 PRO 634 HG2 PRO 634 2.545 -1.740 0.958 190 HG3 PRO 634 HG1 PRO 634 1.304 -2.690 1.796 191 HD2 PRO 634 HD2 PRO 634 1.324 0.002 1.866 192 HD3 PRO 634 HD1 PRO 634 0.792 -0.969 3.255 193 H LYS 635 HN LYS 635 6.157 -2.336 3.529 194 HA LYS 635 HA LYS 635 7.560 -0.299 2.098 195 HB2 LYS 635 HB2 LYS 635 8.289 -2.992 3.202 196 HB3 LYS 635 HB1 LYS 635 9.399 -2.154 2.124 197 HG2 LYS 635 HG2 LYS 635 9.206 -0.179 3.711 198 HG3 LYS 635 HG1 LYS 635 8.430 -1.299 4.832 199 HD2 LYS 635 HD2 LYS 635 10.447 -2.779 4.593 200 HD3 LYS 635 HD1 LYS 635 11.216 -1.469 3.694 201 HE2 LYS 635 HE2 LYS 635 11.979 -0.896 5.741 202 HE3 LYS 635 HE1 LYS 635 10.404 -0.114 5.865 203 HZ1 LYS 635 HZ1 LYS 635 9.571 -1.836 7.166 204 HZ2 LYS 635 HZ2 LYS 635 11.137 -1.616 7.767 205 HZ3 LYS 635 HZ3 LYS 635 10.804 -2.911 6.731 206 H ALA 636 HN ALA 636 9.084 -1.086 0.235 207 HA ALA 636 HA ALA 636 7.474 -1.619 -1.992 208 HB1 ALA 636 HB1 ALA 636 10.321 -2.297 -2.272 209 HB2 ALA 636 HB2 ALA 636 9.987 -0.680 -1.651 210 HB3 ALA 636 HB3 ALA 636 9.319 -1.184 -3.203 211 H GLY 637 HN GLY 637 9.748 -3.751 -0.268 212 HA2 GLY 637 HA2 GLY 637 9.140 -6.018 -1.906 213 HA3 GLY 637 HA1 GLY 637 10.075 -6.029 -0.419 214 H GLN 638 HN GLN 638 8.018 -4.880 1.238 215 HA GLN 638 HA GLN 638 6.524 -7.295 1.740 216 HB2 GLN 638 HB2 GLN 638 6.809 -4.675 3.184 217 HB3 GLN 638 HB1 GLN 638 5.621 -5.870 3.684 218 HG2 GLN 638 HG2 GLN 638 7.629 -7.497 3.723 219 HG3 GLN 638 HG1 GLN 638 8.602 -6.027 3.758 220 HE21 GLN 638 HE21 GLN 638 5.944 -7.675 5.396 221 HE22 GLN 638 HE22 GLN 638 6.285 -7.046 6.969 222 H LEU 639 HN LEU 639 5.972 -4.553 -0.126 223 HA LEU 639 HA LEU 639 3.288 -3.965 0.325 224 HB2 LEU 639 HB2 LEU 639 4.626 -2.559 -1.086 225 HB3 LEU 639 HB1 LEU 639 4.910 -3.872 -2.212 226 HG LEU 639 HG LEU 639 2.306 -3.827 -2.494 227 HD11 LEU 639 HD11 LEU 639 1.478 -1.464 -2.315 228 HD12 LEU 639 HD12 LEU 639 2.909 -1.111 -1.346 229 HD13 LEU 639 HD13 LEU 639 1.728 -2.291 -0.778 230 HD21 LEU 639 HD21 LEU 639 3.411 -3.368 -4.426 231 HD22 LEU 639 HD22 LEU 639 4.417 -2.122 -3.689 232 HD23 LEU 639 HD23 LEU 639 2.741 -1.767 -4.107 233 H GLU 640 HN GLU 640 4.728 -6.384 -1.839 234 HA GLU 640 HA GLU 640 2.425 -7.289 -3.075 235 HB2 GLU 640 HB2 GLU 640 5.132 -8.244 -2.702 236 HB3 GLU 640 HB1 GLU 640 3.987 -9.578 -2.696 237 HG2 GLU 640 HG2 GLU 640 3.253 -7.892 -4.825 238 HG3 GLU 640 HG1 GLU 640 5.004 -8.078 -4.900 239 H ALA 641 HN ALA 641 3.901 -8.487 -0.085 240 HA ALA 641 HA ALA 641 1.884 -10.412 0.439 241 HB1 ALA 641 HB1 ALA 641 4.214 -9.315 1.880 242 HB2 ALA 641 HB2 ALA 641 3.721 -10.988 1.623 243 HB3 ALA 641 HB3 ALA 641 2.940 -10.022 2.875 244 H TRP 642 HN TRP 642 2.317 -7.043 1.315 245 HA TRP 642 HA TRP 642 0.293 -6.931 3.291 246 HB2 TRP 642 HB2 TRP 642 2.135 -5.234 2.904 247 HB3 TRP 642 HB1 TRP 642 1.189 -4.638 1.544 248 HD1 TRP 642 HD1 TRP 642 1.368 -4.544 5.323 249 HE1 TRP 642 HE1 TRP 642 -0.408 -2.907 6.214 250 HE3 TRP 642 HE3 TRP 642 -1.205 -3.701 0.989 251 HZ2 TRP 642 HZ2 TRP 642 -2.608 -1.450 5.211 252 HZ3 TRP 642 HZ3 TRP 642 -3.132 -2.173 1.039 253 HH2 TRP 642 HH2 TRP 642 -3.818 -1.072 3.107 254 H LEU 643 HN LEU 643 0.296 -6.241 -0.186 255 HA LEU 643 HA LEU 643 -2.393 -5.389 -0.332 256 HB2 LEU 643 HB2 LEU 643 -0.599 -6.591 -2.444 257 HB3 LEU 643 HB1 LEU 643 -2.162 -5.865 -2.769 258 HG LEU 643 HG LEU 643 0.144 -4.366 -1.532 259 HD11 LEU 643 HD11 LEU 643 -0.719 -4.594 -4.406 260 HD12 LEU 643 HD12 LEU 643 0.853 -4.996 -3.714 261 HD13 LEU 643 HD13 LEU 643 0.329 -3.314 -3.795 262 HD21 LEU 643 HD21 LEU 643 -2.467 -3.730 -1.449 263 HD22 LEU 643 HD22 LEU 643 -2.025 -3.008 -2.996 264 HD23 LEU 643 HD23 LEU 643 -1.173 -2.534 -1.526 265 H GLU 644 HN GLU 644 -0.840 -8.536 -0.834 266 HA GLU 644 HA GLU 644 -3.130 -9.954 -1.624 267 HB2 GLU 644 HB2 GLU 644 -0.635 -10.662 -1.643 268 HB3 GLU 644 HB1 GLU 644 -0.931 -11.198 0.005 269 HG2 GLU 644 HG2 GLU 644 -1.209 -13.093 -1.347 270 HG3 GLU 644 HG1 GLU 644 -2.837 -12.570 -0.918 271 H MET 645 HN MET 645 -1.830 -9.165 1.548 272 HA MET 645 HA MET 645 -3.781 -10.759 2.951 273 HB2 MET 645 HB2 MET 645 -1.543 -8.944 3.726 274 HB3 MET 645 HB1 MET 645 -2.794 -9.278 4.915 275 HG2 MET 645 HG2 MET 645 -2.225 -11.486 5.103 276 HG3 MET 645 HG1 MET 645 -1.534 -11.559 3.482 277 HE1 MET 645 HE1 MET 645 1.916 -11.530 3.865 278 HE2 MET 645 HE2 MET 645 0.411 -12.230 3.269 279 HE3 MET 645 HE3 MET 645 1.123 -12.817 4.773 280 H ASN 646 HN ASN 646 -3.502 -7.491 1.817 281 HA ASN 646 HA ASN 646 -6.067 -6.850 3.120 282 HB2 ASN 646 HB2 ASN 646 -3.886 -4.877 2.410 283 HB3 ASN 646 HB1 ASN 646 -5.383 -4.530 3.268 284 HD21 ASN 646 HD21 ASN 646 -2.152 -5.510 3.530 285 HD22 ASN 646 HD22 ASN 646 -2.135 -5.835 5.227 286 HA PRO 647 HA PRO 647 -6.652 -6.788 -1.494 287 HB2 PRO 647 HB2 PRO 647 -9.341 -7.702 -0.697 288 HB3 PRO 647 HB1 PRO 647 -8.225 -8.391 -1.879 289 HG2 PRO 647 HG2 PRO 647 -8.695 -9.596 0.468 290 HG3 PRO 647 HG1 PRO 647 -7.092 -9.627 -0.290 291 HD2 PRO 647 HD2 PRO 647 -8.089 -7.934 1.972 292 HD3 PRO 647 HD1 PRO 647 -6.520 -8.744 1.777 293 H GLY 648 HN GLY 648 -7.816 -5.316 -2.719 294 HA2 GLY 648 HA2 GLY 648 -9.615 -3.753 -3.021 295 HA3 GLY 648 HA1 GLY 648 -9.665 -3.537 -1.278 296 H TYR 649 HN TYR 649 -6.552 -3.483 -1.530 297 HA TYR 649 HA TYR 649 -6.436 -0.595 -1.796 298 HB2 TYR 649 HB2 TYR 649 -4.645 -2.699 -0.666 299 HB3 TYR 649 HB1 TYR 649 -3.934 -1.163 -1.152 300 HD1 TYR 649 HD1 TYR 649 -4.250 0.804 0.151 301 HD2 TYR 649 HD2 TYR 649 -6.383 -2.747 1.111 302 HE1 TYR 649 HE1 TYR 649 -4.911 1.796 2.301 303 HE2 TYR 649 HE2 TYR 649 -7.057 -1.766 3.264 304 HH TYR 649 HH TYR 649 -6.041 0.097 4.837 305 H GLU 650 HN GLU 650 -4.640 0.419 -2.988 306 HA GLU 650 HA GLU 650 -3.533 -1.117 -5.195 307 HB2 GLU 650 HB2 GLU 650 -5.403 1.221 -5.575 308 HB3 GLU 650 HB1 GLU 650 -4.314 0.651 -6.832 309 HG2 GLU 650 HG2 GLU 650 -5.552 -1.655 -6.134 310 HG3 GLU 650 HG1 GLU 650 -6.837 -0.480 -5.861 311 H VAL 651 HN VAL 651 -1.680 -0.210 -6.089 312 HA VAL 651 HA VAL 651 -0.124 1.411 -4.418 313 HB VAL 651 HB VAL 651 0.315 1.030 -7.379 314 HG11 VAL 651 HG11 VAL 651 1.918 2.077 -5.135 315 HG12 VAL 651 HG12 VAL 651 1.976 2.468 -6.854 316 HG13 VAL 651 HG13 VAL 651 2.758 1.004 -6.256 317 HG21 VAL 651 HG21 VAL 651 0.203 -1.165 -6.784 318 HG22 VAL 651 HG22 VAL 651 0.614 -0.845 -5.099 319 HG23 VAL 651 HG23 VAL 651 1.876 -0.847 -6.331 320 H ALA 652 HN ALA 652 -0.096 3.536 -4.100 321 HA ALA 652 HA ALA 652 -1.544 5.259 -5.973 322 HB1 ALA 652 HB1 ALA 652 -1.244 6.949 -4.065 323 HB2 ALA 652 HB2 ALA 652 -0.741 5.561 -3.101 324 HB3 ALA 652 HB3 ALA 652 -2.353 5.601 -3.813 325 HA PRO 653 HA PRO 653 2.451 6.411 -7.723 326 HB2 PRO 653 HB2 PRO 653 0.744 8.637 -8.734 327 HB3 PRO 653 HB1 PRO 653 1.878 7.601 -9.608 328 HG2 PRO 653 HG2 PRO 653 -0.744 7.221 -9.832 329 HG3 PRO 653 HG1 PRO 653 0.371 5.844 -9.754 330 HD2 PRO 653 HD2 PRO 653 -1.445 6.937 -7.654 331 HD3 PRO 653 HD1 PRO 653 -0.987 5.255 -7.987 332 H ARG 654 HN ARG 654 3.912 8.185 -7.520 333 HA ARG 654 HA ARG 654 3.801 9.495 -5.018 334 HB2 ARG 654 HB2 ARG 654 5.597 9.870 -7.414 335 HB3 ARG 654 HB1 ARG 654 5.815 10.747 -5.906 336 HG2 ARG 654 HG2 ARG 654 5.689 8.193 -5.005 337 HG3 ARG 654 HG1 ARG 654 6.447 7.966 -6.583 338 HD2 ARG 654 HD2 ARG 654 8.385 8.748 -5.826 339 HD3 ARG 654 HD1 ARG 654 7.614 10.221 -5.239 340 HE ARG 654 HE ARG 654 7.610 9.340 -3.123 341 HH11 ARG 654 HH11 ARG 654 8.285 6.795 -5.413 342 HH12 ARG 654 HH12 ARG 654 8.683 5.633 -4.194 343 HH21 ARG 654 HH21 ARG 654 8.134 7.812 -1.518 344 HH22 ARG 654 HH22 ARG 654 8.598 6.209 -1.982 345 H SER 655 HN SER 655 4.454 12.008 -5.100 346 HA SER 655 HA SER 655 2.230 13.318 -6.510 347 HB2 SER 655 HB2 SER 655 3.734 14.268 -4.058 348 HB3 SER 655 HB1 SER 655 2.321 15.040 -4.781 349 HG SER 655 HG SER 655 1.246 12.952 -4.367 350 H ASP 656 HN ASP 656 5.676 13.420 -5.906 351 HA ASP 656 HA ASP 656 5.935 15.386 -8.071 352 HB2 ASP 656 HB2 ASP 656 6.716 15.727 -5.289 353 HB3 ASP 656 HB1 ASP 656 8.084 15.925 -6.380 354 H SER 657 HN SER 657 6.905 14.299 -9.652 355 HA SER 657 HA SER 657 9.372 12.842 -9.023 356 HB2 SER 657 HB2 SER 657 7.582 11.163 -9.223 357 HB3 SER 657 HB1 SER 657 7.173 11.788 -10.820 358 HG SER 657 HG SER 657 9.568 10.507 -10.013 359 H GLU 658 HN GLU 658 10.419 12.167 -11.255 360 HA GLU 658 HA GLU 658 10.415 14.598 -12.912 361 HB2 GLU 658 HB2 GLU 658 12.584 12.524 -12.538 362 HB3 GLU 658 HB1 GLU 658 12.702 13.943 -13.570 363 HG2 GLU 658 HG2 GLU 658 13.792 14.675 -11.704 364 HG3 GLU 658 HG1 GLU 658 12.153 15.229 -11.365 Start of MODEL 8 1 H1 SER 610 HT1 SER 610 18.674 6.158 -8.188 2 H2 SER 610 HT2 SER 610 19.228 5.818 -6.600 3 H3 SER 610 HT3 SER 610 17.784 6.715 -6.832 4 HA SER 610 HA SER 610 16.633 4.900 -7.616 5 HB2 SER 610 HB2 SER 610 19.361 3.598 -7.769 6 HB3 SER 610 HB1 SER 610 17.849 2.714 -7.978 7 HG SER 610 HG SER 610 17.411 4.356 -9.672 8 H GLN 611 HN GLN 611 15.625 4.966 -5.651 9 HA GLN 611 HA GLN 611 16.426 2.979 -3.722 10 HB2 GLN 611 HB2 GLN 611 17.335 5.590 -3.328 11 HB3 GLN 611 HB1 GLN 611 15.941 5.442 -2.264 12 HG2 GLN 611 HG2 GLN 611 16.958 3.953 -0.908 13 HG3 GLN 611 HG1 GLN 611 17.867 3.207 -2.223 14 HE21 GLN 611 HE21 GLN 611 19.664 3.255 -0.749 15 HE22 GLN 611 HE22 GLN 611 20.589 4.703 -0.570 16 H MET 612 HN MET 612 14.173 3.483 -5.482 17 HA MET 612 HA MET 612 11.967 4.414 -3.921 18 HB2 MET 612 HB2 MET 612 12.105 2.857 -6.505 19 HB3 MET 612 HB1 MET 612 10.600 3.410 -5.783 20 HG2 MET 612 HG2 MET 612 10.980 5.589 -6.311 21 HG3 MET 612 HG1 MET 612 12.733 5.418 -6.237 22 HE1 MET 612 HE1 MET 612 9.620 5.553 -8.515 23 HE2 MET 612 HE2 MET 612 10.559 6.038 -9.927 24 HE3 MET 612 HE3 MET 612 10.748 6.905 -8.402 25 H SER 613 HN SER 613 13.279 1.241 -4.749 26 HA SER 613 HA SER 613 11.207 -0.302 -3.622 27 HB2 SER 613 HB2 SER 613 13.035 -1.103 -5.196 28 HB3 SER 613 HB1 SER 613 14.107 -1.132 -3.796 29 HG SER 613 HG SER 613 13.064 -3.164 -4.254 30 H ASP 614 HN ASP 614 13.966 1.309 -2.235 31 HA ASP 614 HA ASP 614 13.831 -0.086 0.278 32 HB2 ASP 614 HB2 ASP 614 15.464 2.124 -0.867 33 HB3 ASP 614 HB1 ASP 614 15.334 2.039 0.888 34 H LEU 615 HN LEU 615 12.445 2.791 -1.102 35 HA LEU 615 HA LEU 615 11.557 3.791 1.478 36 HB2 LEU 615 HB2 LEU 615 10.997 4.807 -1.309 37 HB3 LEU 615 HB1 LEU 615 10.570 5.626 0.181 38 HG LEU 615 HG LEU 615 13.430 4.965 -0.454 39 HD11 LEU 615 HD11 LEU 615 13.359 7.525 -1.127 40 HD12 LEU 615 HD12 LEU 615 11.716 7.096 -1.606 41 HD13 LEU 615 HD13 LEU 615 13.091 6.242 -2.306 42 HD21 LEU 615 HD21 LEU 615 12.578 7.389 1.011 43 HD22 LEU 615 HD22 LEU 615 13.953 6.320 1.284 44 HD23 LEU 615 HD23 LEU 615 12.343 5.841 1.824 45 HA PRO 616 HA PRO 616 7.590 1.868 1.423 46 HB2 PRO 616 HB2 PRO 616 6.073 3.718 2.699 47 HB3 PRO 616 HB1 PRO 616 7.277 2.727 3.534 48 HG2 PRO 616 HG2 PRO 616 7.497 5.548 2.551 49 HG3 PRO 616 HG1 PRO 616 8.037 4.855 4.092 50 HD2 PRO 616 HD2 PRO 616 9.729 5.313 2.026 51 HD3 PRO 616 HD1 PRO 616 9.955 3.974 3.168 52 H VAL 617 HN VAL 617 5.587 1.867 0.377 53 HA VAL 617 HA VAL 617 5.173 4.069 -1.541 54 HB VAL 617 HB VAL 617 4.384 1.187 -1.969 55 HG11 VAL 617 HG11 VAL 617 4.537 2.284 -4.418 56 HG12 VAL 617 HG12 VAL 617 4.059 3.699 -3.480 57 HG13 VAL 617 HG13 VAL 617 3.058 2.248 -3.458 58 HG21 VAL 617 HG21 VAL 617 6.695 2.583 -3.289 59 HG22 VAL 617 HG22 VAL 617 6.299 0.864 -3.301 60 HG23 VAL 617 HG23 VAL 617 6.885 1.625 -1.821 61 H LYS 618 HN LYS 618 3.239 5.045 -1.543 62 HA LYS 618 HA LYS 618 1.338 4.456 0.491 63 HB2 LYS 618 HB2 LYS 618 0.952 6.244 -1.912 64 HB3 LYS 618 HB1 LYS 618 0.067 6.302 -0.396 65 HG2 LYS 618 HG2 LYS 618 1.499 7.872 0.237 66 HG3 LYS 618 HG1 LYS 618 2.700 6.587 0.381 67 HD2 LYS 618 HD2 LYS 618 3.791 8.067 -1.003 68 HD3 LYS 618 HD1 LYS 618 3.017 7.002 -2.181 69 HE2 LYS 618 HE2 LYS 618 2.794 9.432 -2.695 70 HE3 LYS 618 HE1 LYS 618 1.260 8.576 -2.553 71 HZ1 LYS 618 HZ1 LYS 618 1.550 10.840 -1.391 72 HZ2 LYS 618 HZ2 LYS 618 2.395 9.963 -0.216 73 HZ3 LYS 618 HZ3 LYS 618 0.781 9.587 -0.554 74 H VAL 619 HN VAL 619 -1.080 4.369 -0.152 75 HA VAL 619 HA VAL 619 -1.685 2.904 -2.555 76 HB VAL 619 HB VAL 619 -2.712 0.976 -1.263 77 HG11 VAL 619 HG11 VAL 619 -0.757 -0.323 -1.401 78 HG12 VAL 619 HG12 VAL 619 0.284 1.058 -1.055 79 HG13 VAL 619 HG13 VAL 619 -0.553 0.951 -2.604 80 HG21 VAL 619 HG21 VAL 619 -0.796 1.865 0.888 81 HG22 VAL 619 HG22 VAL 619 -1.872 0.466 0.923 82 HG23 VAL 619 HG23 VAL 619 -2.544 2.097 0.956 83 H ILE 620 HN ILE 620 -4.011 2.370 -2.702 84 HA ILE 620 HA ILE 620 -5.669 4.067 -0.961 85 HB ILE 620 HB ILE 620 -5.415 5.278 -3.033 86 HG12 ILE 620 HG12 ILE 620 -7.746 5.478 -3.724 87 HG13 ILE 620 HG11 ILE 620 -8.115 3.907 -3.019 88 HG21 ILE 620 HG21 ILE 620 -6.723 3.426 -4.835 89 HG22 ILE 620 HG22 ILE 620 -5.213 2.774 -4.202 90 HG23 ILE 620 HG23 ILE 620 -5.221 4.327 -5.035 91 HD11 ILE 620 HD11 ILE 620 -8.611 4.896 -1.112 92 HD12 ILE 620 HD12 ILE 620 -8.191 6.464 -1.804 93 HD13 ILE 620 HD13 ILE 620 -6.958 5.499 -0.993 94 H HIS 621 HN HIS 621 -7.346 3.044 -0.097 95 HA HIS 621 HA HIS 621 -7.942 0.327 -0.961 96 HB2 HIS 621 HB2 HIS 621 -7.622 1.169 1.489 97 HB3 HIS 621 HB1 HIS 621 -9.288 1.705 1.337 98 HD1 HIS 621 HD1 HIS 621 -9.246 -0.216 3.408 99 HD2 HIS 621 HD2 HIS 621 -9.147 -1.501 -0.541 100 HE1 HIS 621 HE1 HIS 621 -10.005 -2.612 3.462 101 HE2 HIS 621 HE2 HIS 621 -10.010 -3.346 1.052 102 H VAL 622 HN VAL 622 -9.793 -0.284 -1.958 103 HA VAL 622 HA VAL 622 -11.572 1.816 -2.886 104 HB VAL 622 HB VAL 622 -11.689 -1.135 -3.517 105 HG11 VAL 622 HG11 VAL 622 -12.619 0.864 -5.459 106 HG12 VAL 622 HG12 VAL 622 -13.577 0.752 -3.983 107 HG13 VAL 622 HG13 VAL 622 -13.332 -0.678 -4.984 108 HG21 VAL 622 HG21 VAL 622 -9.514 0.178 -4.074 109 HG22 VAL 622 HG22 VAL 622 -10.496 0.909 -5.344 110 HG23 VAL 622 HG23 VAL 622 -10.257 -0.839 -5.309 111 H GLU 623 HN GLU 623 -11.603 -0.895 -0.684 112 HA GLU 623 HA GLU 623 -14.413 -1.062 -0.350 113 HB2 GLU 623 HB2 GLU 623 -12.489 -2.717 0.326 114 HB3 GLU 623 HB1 GLU 623 -12.513 -1.815 1.835 115 HG2 GLU 623 HG2 GLU 623 -13.927 -3.601 2.243 116 HG3 GLU 623 HG1 GLU 623 -15.032 -2.285 1.847 117 H SER 624 HN SER 624 -11.892 0.800 1.269 118 HA SER 624 HA SER 624 -13.971 2.072 2.923 119 HB2 SER 624 HB2 SER 624 -11.136 1.362 3.428 120 HB3 SER 624 HB1 SER 624 -11.696 2.888 4.111 121 HG SER 624 HG SER 624 -13.362 1.738 5.148 122 H GLY 625 HN GLY 625 -11.587 2.617 0.473 123 HA2 GLY 625 HA2 GLY 625 -11.396 4.483 -0.903 124 HA3 GLY 625 HA1 GLY 625 -12.547 5.320 0.127 125 H LYS 626 HN LYS 626 -10.252 4.049 2.137 126 HA LYS 626 HA LYS 626 -9.079 6.621 2.614 127 HB2 LYS 626 HB2 LYS 626 -9.533 4.369 4.144 128 HB3 LYS 626 HB1 LYS 626 -7.788 4.347 3.927 129 HG2 LYS 626 HG2 LYS 626 -9.052 6.911 4.720 130 HG3 LYS 626 HG1 LYS 626 -8.940 5.629 5.928 131 HD2 LYS 626 HD2 LYS 626 -6.512 6.240 4.330 132 HD3 LYS 626 HD1 LYS 626 -6.996 7.404 5.565 133 HE2 LYS 626 HE2 LYS 626 -7.049 5.548 7.214 134 HE3 LYS 626 HE1 LYS 626 -6.424 4.470 5.967 135 HZ1 LYS 626 HZ1 LYS 626 -4.525 6.123 5.785 136 HZ2 LYS 626 HZ2 LYS 626 -4.562 5.151 7.168 137 HZ3 LYS 626 HZ3 LYS 626 -5.071 6.761 7.255 138 H ILE 627 HN ILE 627 -6.826 7.114 2.565 139 HA ILE 627 HA ILE 627 -5.302 5.499 0.622 140 HB ILE 627 HB ILE 627 -5.019 8.479 0.991 141 HG12 ILE 627 HG12 ILE 627 -6.244 7.457 -1.494 142 HG13 ILE 627 HG11 ILE 627 -7.253 7.327 -0.058 143 HG21 ILE 627 HG21 ILE 627 -3.732 8.409 -1.023 144 HG22 ILE 627 HG22 ILE 627 -4.118 6.706 -1.272 145 HG23 ILE 627 HG23 ILE 627 -3.092 7.190 0.078 146 HD11 ILE 627 HD11 ILE 627 -7.674 9.391 -1.269 147 HD12 ILE 627 HD12 ILE 627 -5.981 9.851 -1.087 148 HD13 ILE 627 HD13 ILE 627 -7.015 9.715 0.335 149 H LEU 628 HN LEU 628 -3.761 4.443 1.728 150 HA LEU 628 HA LEU 628 -2.640 5.510 4.149 151 HB2 LEU 628 HB2 LEU 628 -1.792 3.090 2.554 152 HB3 LEU 628 HB1 LEU 628 -1.267 3.487 4.177 153 HG LEU 628 HG LEU 628 -4.160 3.005 3.511 154 HD11 LEU 628 HD11 LEU 628 -3.868 0.726 4.314 155 HD12 LEU 628 HD12 LEU 628 -2.134 0.996 4.484 156 HD13 LEU 628 HD13 LEU 628 -2.876 1.019 2.885 157 HD21 LEU 628 HD21 LEU 628 -2.538 3.199 6.027 158 HD22 LEU 628 HD22 LEU 628 -4.102 2.383 5.993 159 HD23 LEU 628 HD23 LEU 628 -3.989 4.092 5.572 160 H THR 629 HN THR 629 -0.829 6.671 4.383 161 HA THR 629 HA THR 629 0.631 7.452 2.002 162 HB THR 629 HB THR 629 1.376 9.273 3.182 163 HG1 THR 629 HG1 THR 629 1.786 9.216 5.432 164 HG21 THR 629 HG21 THR 629 -1.238 8.744 3.689 165 HG22 THR 629 HG22 THR 629 -0.399 10.235 4.123 166 HG23 THR 629 HG23 THR 629 -0.588 8.949 5.316 167 H GLY 630 HN GLY 630 3.072 7.562 2.143 168 HA2 GLY 630 HA2 GLY 630 4.168 5.030 2.319 169 HA3 GLY 630 HA1 GLY 630 5.103 6.515 2.381 170 H THR 631 HN THR 631 3.458 7.183 4.909 171 HA THR 631 HA THR 631 5.397 6.205 6.749 172 HB THR 631 HB THR 631 2.786 7.612 7.316 173 HG1 THR 631 HG1 THR 631 4.253 8.750 5.908 174 HG21 THR 631 HG21 THR 631 4.390 8.501 9.224 175 HG22 THR 631 HG22 THR 631 5.108 6.905 9.005 176 HG23 THR 631 HG23 THR 631 3.400 7.056 9.421 177 H ASP 632 HN ASP 632 1.966 5.461 6.193 178 HA ASP 632 HA ASP 632 2.112 3.340 8.207 179 HB2 ASP 632 HB2 ASP 632 0.189 5.072 8.007 180 HB3 ASP 632 HB1 ASP 632 -0.368 4.063 6.676 181 H ALA 633 HN ALA 633 1.838 3.817 4.777 182 HA ALA 633 HA ALA 633 0.887 1.302 4.004 183 HB1 ALA 633 HB1 ALA 633 1.458 1.889 1.831 184 HB2 ALA 633 HB2 ALA 633 2.853 2.838 2.348 185 HB3 ALA 633 HB3 ALA 633 1.221 3.451 2.615 186 HA PRO 634 HA PRO 634 4.343 -1.384 4.609 187 HB2 PRO 634 HB2 PRO 634 3.999 -3.194 2.648 188 HB3 PRO 634 HB1 PRO 634 2.878 -3.069 4.011 189 HG2 PRO 634 HG2 PRO 634 2.611 -1.974 1.233 190 HG3 PRO 634 HG1 PRO 634 1.403 -2.814 2.222 191 HD2 PRO 634 HD2 PRO 634 1.483 -0.108 1.961 192 HD3 PRO 634 HD1 PRO 634 0.885 -0.921 3.422 193 H LYS 635 HN LYS 635 6.378 -2.056 3.767 194 HA LYS 635 HA LYS 635 7.542 -0.192 1.935 195 HB2 LYS 635 HB2 LYS 635 8.676 -2.687 3.213 196 HB3 LYS 635 HB1 LYS 635 9.613 -1.526 2.282 197 HG2 LYS 635 HG2 LYS 635 9.024 0.218 3.923 198 HG3 LYS 635 HG1 LYS 635 8.176 -1.002 4.875 199 HD2 LYS 635 HD2 LYS 635 10.183 -2.174 5.331 200 HD3 LYS 635 HD1 LYS 635 11.076 -1.259 4.116 201 HE2 LYS 635 HE2 LYS 635 11.758 -0.020 5.857 202 HE3 LYS 635 HE1 LYS 635 10.169 0.731 5.731 203 HZ1 LYS 635 HZ1 LYS 635 9.534 -1.290 7.268 204 HZ2 LYS 635 HZ2 LYS 635 10.151 0.147 7.910 205 HZ3 LYS 635 HZ3 LYS 635 11.166 -1.188 7.697 206 H ALA 636 HN ALA 636 8.651 -0.741 -0.039 207 HA ALA 636 HA ALA 636 7.125 -2.131 -1.880 208 HB1 ALA 636 HB1 ALA 636 8.528 -0.893 -3.098 209 HB2 ALA 636 HB2 ALA 636 9.649 -2.248 -2.964 210 HB3 ALA 636 HB3 ALA 636 9.761 -0.895 -1.838 211 H GLY 637 HN GLY 637 9.529 -3.340 0.324 212 HA2 GLY 637 HA2 GLY 637 9.998 -5.811 -1.038 213 HA3 GLY 637 HA1 GLY 637 10.454 -5.431 0.614 214 H GLN 638 HN GLN 638 7.786 -4.812 1.533 215 HA GLN 638 HA GLN 638 6.684 -7.544 1.538 216 HB2 GLN 638 HB2 GLN 638 6.792 -5.413 3.651 217 HB3 GLN 638 HB1 GLN 638 5.606 -6.709 3.739 218 HG2 GLN 638 HG2 GLN 638 8.050 -7.967 3.238 219 HG3 GLN 638 HG1 GLN 638 8.390 -6.724 4.441 220 HE21 GLN 638 HE21 GLN 638 6.090 -6.669 5.886 221 HE22 GLN 638 HE22 GLN 638 5.852 -8.182 6.684 222 H LEU 639 HN LEU 639 6.099 -4.891 -0.080 223 HA LEU 639 HA LEU 639 3.446 -4.164 0.506 224 HB2 LEU 639 HB2 LEU 639 4.836 -2.745 -0.852 225 HB3 LEU 639 HB1 LEU 639 5.029 -4.006 -2.055 226 HG LEU 639 HG LEU 639 2.435 -3.824 -2.288 227 HD11 LEU 639 HD11 LEU 639 1.948 -1.252 -1.978 228 HD12 LEU 639 HD12 LEU 639 3.160 -1.413 -0.706 229 HD13 LEU 639 HD13 LEU 639 1.698 -2.400 -0.663 230 HD21 LEU 639 HD21 LEU 639 4.228 -1.629 -3.319 231 HD22 LEU 639 HD22 LEU 639 2.709 -2.176 -4.030 232 HD23 LEU 639 HD23 LEU 639 4.109 -3.249 -4.007 233 H GLU 640 HN GLU 640 4.757 -6.469 -1.865 234 HA GLU 640 HA GLU 640 2.401 -7.247 -3.076 235 HB2 GLU 640 HB2 GLU 640 5.029 -8.558 -2.603 236 HB3 GLU 640 HB1 GLU 640 3.703 -9.575 -3.150 237 HG2 GLU 640 HG2 GLU 640 3.702 -8.698 -5.218 238 HG3 GLU 640 HG1 GLU 640 4.077 -7.073 -4.646 239 H ALA 641 HN ALA 641 3.856 -8.485 -0.105 240 HA ALA 641 HA ALA 641 1.887 -10.482 0.351 241 HB1 ALA 641 HB1 ALA 641 3.066 -11.014 2.224 242 HB2 ALA 641 HB2 ALA 641 3.375 -9.329 2.643 243 HB3 ALA 641 HB3 ALA 641 4.311 -10.105 1.365 244 H TRP 642 HN TRP 642 2.276 -7.141 1.387 245 HA TRP 642 HA TRP 642 0.129 -7.126 3.237 246 HB2 TRP 642 HB2 TRP 642 2.028 -5.432 3.048 247 HB3 TRP 642 HB1 TRP 642 1.128 -4.724 1.710 248 HD1 TRP 642 HD1 TRP 642 1.249 -4.852 5.474 249 HE1 TRP 642 HE1 TRP 642 -0.571 -3.311 6.443 250 HE3 TRP 642 HE3 TRP 642 -1.326 -3.839 1.177 251 HZ2 TRP 642 HZ2 TRP 642 -2.803 -1.856 5.507 252 HZ3 TRP 642 HZ3 TRP 642 -3.291 -2.365 1.299 253 HH2 TRP 642 HH2 TRP 642 -4.014 -1.395 3.420 254 H LEU 643 HN LEU 643 0.370 -6.486 -0.212 255 HA LEU 643 HA LEU 643 -2.261 -5.459 -0.524 256 HB2 LEU 643 HB2 LEU 643 -0.129 -6.463 -2.350 257 HB3 LEU 643 HB1 LEU 643 -1.760 -6.333 -2.979 258 HG LEU 643 HG LEU 643 -0.212 -4.053 -1.747 259 HD11 LEU 643 HD11 LEU 643 -0.896 -4.293 -4.647 260 HD12 LEU 643 HD12 LEU 643 0.560 -5.058 -4.007 261 HD13 LEU 643 HD13 LEU 643 0.345 -3.314 -3.863 262 HD21 LEU 643 HD21 LEU 643 -2.875 -4.187 -3.151 263 HD22 LEU 643 HD22 LEU 643 -2.015 -2.689 -2.790 264 HD23 LEU 643 HD23 LEU 643 -2.571 -3.727 -1.475 265 H GLU 644 HN GLU 644 -0.818 -8.670 -0.900 266 HA GLU 644 HA GLU 644 -3.108 -9.989 -1.851 267 HB2 GLU 644 HB2 GLU 644 -0.539 -10.725 -1.463 268 HB3 GLU 644 HB1 GLU 644 -1.286 -11.511 -0.079 269 HG2 GLU 644 HG2 GLU 644 -2.951 -12.106 -2.228 270 HG3 GLU 644 HG1 GLU 644 -1.312 -12.260 -2.858 271 H MET 645 HN MET 645 -1.935 -9.364 1.422 272 HA MET 645 HA MET 645 -4.040 -10.838 2.692 273 HB2 MET 645 HB2 MET 645 -1.667 -10.185 3.589 274 HB3 MET 645 HB1 MET 645 -2.467 -8.700 4.082 275 HG2 MET 645 HG2 MET 645 -4.194 -10.525 5.054 276 HG3 MET 645 HG1 MET 645 -2.681 -11.421 5.169 277 HE1 MET 645 HE1 MET 645 -3.488 -10.395 8.692 278 HE2 MET 645 HE2 MET 645 -1.981 -11.164 8.195 279 HE3 MET 645 HE3 MET 645 -3.502 -11.624 7.426 280 H ASN 646 HN ASN 646 -3.427 -7.450 1.927 281 HA ASN 646 HA ASN 646 -6.096 -6.760 2.953 282 HB2 ASN 646 HB2 ASN 646 -3.802 -4.918 2.240 283 HB3 ASN 646 HB1 ASN 646 -5.333 -4.436 2.961 284 HD21 ASN 646 HD21 ASN 646 -2.416 -6.323 3.489 285 HD22 ASN 646 HD22 ASN 646 -2.449 -6.232 5.214 286 HA PRO 647 HA PRO 647 -6.608 -6.821 -1.653 287 HB2 PRO 647 HB2 PRO 647 -9.171 -7.736 -1.580 288 HB3 PRO 647 HB1 PRO 647 -7.761 -8.802 -1.561 289 HG2 PRO 647 HG2 PRO 647 -9.458 -7.866 0.720 290 HG3 PRO 647 HG1 PRO 647 -8.812 -9.485 0.397 291 HD2 PRO 647 HD2 PRO 647 -7.672 -7.807 2.180 292 HD3 PRO 647 HD1 PRO 647 -6.720 -8.951 1.212 293 H GLY 648 HN GLY 648 -7.667 -5.337 -2.923 294 HA2 GLY 648 HA2 GLY 648 -9.447 -3.779 -3.344 295 HA3 GLY 648 HA1 GLY 648 -9.604 -3.555 -1.609 296 H TYR 649 HN TYR 649 -6.476 -3.509 -1.688 297 HA TYR 649 HA TYR 649 -6.334 -0.624 -1.911 298 HB2 TYR 649 HB2 TYR 649 -4.595 -2.763 -0.773 299 HB3 TYR 649 HB1 TYR 649 -3.847 -1.234 -1.222 300 HD1 TYR 649 HD1 TYR 649 -6.347 -2.817 0.977 301 HD2 TYR 649 HD2 TYR 649 -4.186 0.735 0.086 302 HE1 TYR 649 HE1 TYR 649 -7.049 -1.857 3.131 303 HE2 TYR 649 HE2 TYR 649 -4.877 1.708 2.237 304 HH TYR 649 HH TYR 649 -6.228 -0.107 4.723 305 H GLU 650 HN GLU 650 -4.760 0.486 -3.170 306 HA GLU 650 HA GLU 650 -3.459 -1.020 -5.307 307 HB2 GLU 650 HB2 GLU 650 -5.362 1.280 -5.788 308 HB3 GLU 650 HB1 GLU 650 -4.300 0.594 -7.010 309 HG2 GLU 650 HG2 GLU 650 -5.666 -1.590 -5.991 310 HG3 GLU 650 HG1 GLU 650 -6.878 -0.313 -6.075 311 H VAL 651 HN VAL 651 -1.633 -0.015 -6.161 312 HA VAL 651 HA VAL 651 -0.155 1.631 -4.482 313 HB VAL 651 HB VAL 651 0.206 1.425 -7.474 314 HG11 VAL 651 HG11 VAL 651 2.227 2.386 -7.228 315 HG12 VAL 651 HG12 VAL 651 2.524 1.610 -5.672 316 HG13 VAL 651 HG13 VAL 651 1.516 3.055 -5.759 317 HG21 VAL 651 HG21 VAL 651 1.893 -0.293 -5.858 318 HG22 VAL 651 HG22 VAL 651 0.912 -0.680 -7.271 319 HG23 VAL 651 HG23 VAL 651 0.183 -0.676 -5.665 320 H ALA 652 HN ALA 652 -0.099 3.757 -4.105 321 HA ALA 652 HA ALA 652 -1.983 5.486 -5.408 322 HB1 ALA 652 HB1 ALA 652 -1.688 6.873 -3.653 323 HB2 ALA 652 HB2 ALA 652 0.065 6.683 -3.660 324 HB3 ALA 652 HB3 ALA 652 -0.952 5.446 -2.922 325 HA PRO 653 HA PRO 653 0.623 6.792 -8.781 326 HB2 PRO 653 HB2 PRO 653 -0.965 9.297 -8.517 327 HB3 PRO 653 HB1 PRO 653 -0.666 8.300 -9.945 328 HG2 PRO 653 HG2 PRO 653 -3.027 8.238 -8.718 329 HG3 PRO 653 HG1 PRO 653 -2.303 6.759 -9.374 330 HD2 PRO 653 HD2 PRO 653 -2.485 7.688 -6.542 331 HD3 PRO 653 HD1 PRO 653 -2.605 6.044 -7.201 332 H ARG 654 HN ARG 654 2.229 8.388 -9.239 333 HA ARG 654 HA ARG 654 3.981 9.733 -8.696 334 HB2 ARG 654 HB2 ARG 654 1.904 10.952 -6.872 335 HB3 ARG 654 HB1 ARG 654 3.483 11.659 -7.180 336 HG2 ARG 654 HG2 ARG 654 1.451 11.094 -9.324 337 HG3 ARG 654 HG1 ARG 654 1.627 12.648 -8.508 338 HD2 ARG 654 HD2 ARG 654 3.873 11.273 -9.967 339 HD3 ARG 654 HD1 ARG 654 2.801 12.450 -10.724 340 HE ARG 654 HE ARG 654 4.946 12.984 -8.888 341 HH11 ARG 654 HH11 ARG 654 1.937 14.173 -10.196 342 HH12 ARG 654 HH12 ARG 654 2.293 15.831 -9.842 343 HH21 ARG 654 HH21 ARG 654 5.417 15.163 -8.420 344 HH22 ARG 654 HH22 ARG 654 4.269 16.393 -8.835 345 H SER 655 HN SER 655 5.555 8.588 -7.753 346 HA SER 655 HA SER 655 5.337 8.057 -4.863 347 HB2 SER 655 HB2 SER 655 7.098 6.555 -6.805 348 HB3 SER 655 HB1 SER 655 6.690 6.107 -5.149 349 HG SER 655 HG SER 655 5.206 4.972 -6.132 350 H ASP 656 HN ASP 656 6.279 10.518 -6.091 351 HA ASP 656 HA ASP 656 9.058 10.477 -5.114 352 HB2 ASP 656 HB2 ASP 656 8.745 10.805 -7.636 353 HB3 ASP 656 HB1 ASP 656 8.058 12.375 -7.232 354 H SER 657 HN SER 657 6.151 12.451 -5.580 355 HA SER 657 HA SER 657 6.739 13.818 -3.068 356 HB2 SER 657 HB2 SER 657 5.848 15.950 -4.450 357 HB3 SER 657 HB1 SER 657 7.561 15.560 -4.296 358 HG SER 657 HG SER 657 5.961 14.577 -6.413 359 H GLU 658 HN GLU 658 4.857 15.094 -2.289 360 HA GLU 658 HA GLU 658 2.670 15.218 -1.676 361 HB2 GLU 658 HB2 GLU 658 2.006 14.319 -4.478 362 HB3 GLU 658 HB1 GLU 658 1.014 15.286 -3.395 363 HG2 GLU 658 HG2 GLU 658 3.265 16.807 -3.597 364 HG3 GLU 658 HG1 GLU 658 3.160 16.089 -5.204 Start of MODEL 9 1 H1 SER 610 HT1 SER 610 20.556 5.126 -2.772 2 H2 SER 610 HT2 SER 610 19.729 4.196 -1.591 3 H3 SER 610 HT3 SER 610 20.340 5.749 -1.191 4 HA SER 610 HA SER 610 18.008 5.851 -1.490 5 HB2 SER 610 HB2 SER 610 19.260 7.808 -2.113 6 HB3 SER 610 HB1 SER 610 19.697 7.100 -3.668 7 HG SER 610 HG SER 610 17.494 8.497 -2.990 8 H GLN 611 HN GLN 611 17.113 3.786 -1.984 9 HA GLN 611 HA GLN 611 16.590 3.406 -4.857 10 HB2 GLN 611 HB2 GLN 611 17.607 1.525 -2.860 11 HB3 GLN 611 HB1 GLN 611 16.216 0.911 -3.743 12 HG2 GLN 611 HG2 GLN 611 18.574 2.098 -5.157 13 HG3 GLN 611 HG1 GLN 611 18.540 0.406 -4.663 14 HE21 GLN 611 HE21 GLN 611 16.120 -0.467 -5.193 15 HE22 GLN 611 HE22 GLN 611 15.717 -0.292 -6.863 16 H MET 612 HN MET 612 14.507 2.972 -5.462 17 HA MET 612 HA MET 612 12.417 3.860 -3.830 18 HB2 MET 612 HB2 MET 612 12.514 3.627 -6.395 19 HB3 MET 612 HB1 MET 612 12.008 1.964 -6.129 20 HG2 MET 612 HG2 MET 612 9.931 2.593 -5.306 21 HG3 MET 612 HG1 MET 612 10.462 4.236 -4.951 22 HE1 MET 612 HE1 MET 612 9.067 5.941 -6.213 23 HE2 MET 612 HE2 MET 612 7.933 4.598 -6.067 24 HE3 MET 612 HE3 MET 612 8.083 5.464 -7.596 25 H SER 613 HN SER 613 13.813 0.695 -4.251 26 HA SER 613 HA SER 613 11.706 -0.838 -3.176 27 HB2 SER 613 HB2 SER 613 14.091 -1.436 -4.342 28 HB3 SER 613 HB1 SER 613 14.447 -1.802 -2.654 29 HG SER 613 HG SER 613 12.599 -3.159 -2.650 30 H ASP 614 HN ASP 614 14.195 1.097 -1.711 31 HA ASP 614 HA ASP 614 13.801 -0.031 0.925 32 HB2 ASP 614 HB2 ASP 614 15.577 2.060 -0.257 33 HB3 ASP 614 HB1 ASP 614 15.289 2.084 1.480 34 H LEU 615 HN LEU 615 12.647 2.667 -0.944 35 HA LEU 615 HA LEU 615 11.544 4.041 1.351 36 HB2 LEU 615 HB2 LEU 615 10.898 4.630 -1.523 37 HB3 LEU 615 HB1 LEU 615 10.854 5.721 -0.151 38 HG LEU 615 HG LEU 615 13.423 4.533 -1.175 39 HD11 LEU 615 HD11 LEU 615 13.698 6.184 -2.710 40 HD12 LEU 615 HD12 LEU 615 12.680 7.326 -1.831 41 HD13 LEU 615 HD13 LEU 615 11.941 6.038 -2.784 42 HD21 LEU 615 HD21 LEU 615 12.960 7.069 0.372 43 HD22 LEU 615 HD22 LEU 615 14.481 6.223 0.092 44 HD23 LEU 615 HD23 LEU 615 13.259 5.514 1.148 45 HA PRO 616 HA PRO 616 7.643 1.958 1.291 46 HB2 PRO 616 HB2 PRO 616 6.118 3.746 2.608 47 HB3 PRO 616 HB1 PRO 616 7.390 2.822 3.418 48 HG2 PRO 616 HG2 PRO 616 7.449 5.638 2.404 49 HG3 PRO 616 HG1 PRO 616 8.066 4.987 3.933 50 HD2 PRO 616 HD2 PRO 616 9.651 5.496 1.773 51 HD3 PRO 616 HD1 PRO 616 10.012 4.238 2.972 52 H VAL 617 HN VAL 617 5.640 1.940 0.254 53 HA VAL 617 HA VAL 617 5.175 4.160 -1.633 54 HB VAL 617 HB VAL 617 4.452 1.261 -2.084 55 HG11 VAL 617 HG11 VAL 617 3.821 1.882 -4.259 56 HG12 VAL 617 HG12 VAL 617 4.594 3.461 -4.124 57 HG13 VAL 617 HG13 VAL 617 3.123 3.119 -3.214 58 HG21 VAL 617 HG21 VAL 617 6.522 2.476 -3.773 59 HG22 VAL 617 HG22 VAL 617 6.435 0.865 -3.062 60 HG23 VAL 617 HG23 VAL 617 6.996 2.226 -2.092 61 H LYS 618 HN LYS 618 3.254 5.138 -1.539 62 HA LYS 618 HA LYS 618 1.377 4.477 0.482 63 HB2 LYS 618 HB2 LYS 618 0.876 6.292 -1.874 64 HB3 LYS 618 HB1 LYS 618 0.113 6.349 -0.291 65 HG2 LYS 618 HG2 LYS 618 1.603 7.897 0.251 66 HG3 LYS 618 HG1 LYS 618 2.814 6.614 0.255 67 HD2 LYS 618 HD2 LYS 618 3.740 8.182 -1.179 68 HD3 LYS 618 HD1 LYS 618 2.946 7.063 -2.291 69 HE2 LYS 618 HE2 LYS 618 2.356 9.203 -3.057 70 HE3 LYS 618 HE1 LYS 618 0.941 8.627 -2.175 71 HZ1 LYS 618 HZ1 LYS 618 1.387 10.033 -0.395 72 HZ2 LYS 618 HZ2 LYS 618 1.730 10.995 -1.743 73 HZ3 LYS 618 HZ3 LYS 618 2.993 10.297 -0.860 74 H VAL 619 HN VAL 619 -1.054 4.394 -0.146 75 HA VAL 619 HA VAL 619 -1.659 2.942 -2.559 76 HB VAL 619 HB VAL 619 -2.667 1.000 -1.307 77 HG11 VAL 619 HG11 VAL 619 -0.723 -0.273 -1.445 78 HG12 VAL 619 HG12 VAL 619 0.304 1.064 -0.931 79 HG13 VAL 619 HG13 VAL 619 -0.413 1.072 -2.542 80 HG21 VAL 619 HG21 VAL 619 -0.813 1.810 0.919 81 HG22 VAL 619 HG22 VAL 619 -2.005 0.511 0.909 82 HG23 VAL 619 HG23 VAL 619 -2.535 2.193 0.922 83 H ILE 620 HN ILE 620 -3.970 2.469 -2.760 84 HA ILE 620 HA ILE 620 -5.628 4.180 -1.025 85 HB ILE 620 HB ILE 620 -5.405 5.308 -3.143 86 HG12 ILE 620 HG12 ILE 620 -7.768 5.363 -3.886 87 HG13 ILE 620 HG11 ILE 620 -8.080 3.901 -2.955 88 HG21 ILE 620 HG21 ILE 620 -5.400 2.655 -4.193 89 HG22 ILE 620 HG22 ILE 620 -4.999 4.170 -4.999 90 HG23 ILE 620 HG23 ILE 620 -6.665 3.590 -4.991 91 HD11 ILE 620 HD11 ILE 620 -8.658 5.237 -1.287 92 HD12 ILE 620 HD12 ILE 620 -8.002 6.656 -2.103 93 HD13 ILE 620 HD13 ILE 620 -6.948 5.636 -1.125 94 H HIS 621 HN HIS 621 -7.299 3.185 -0.105 95 HA HIS 621 HA HIS 621 -7.897 0.439 -0.887 96 HB2 HIS 621 HB2 HIS 621 -7.491 1.302 1.536 97 HB3 HIS 621 HB1 HIS 621 -9.152 1.861 1.437 98 HD1 HIS 621 HD1 HIS 621 -9.640 0.129 3.386 99 HD2 HIS 621 HD2 HIS 621 -8.546 -1.534 -0.259 100 HE1 HIS 621 HE1 HIS 621 -10.280 -2.298 3.536 101 HE2 HIS 621 HE2 HIS 621 -9.686 -3.266 1.287 102 H VAL 622 HN VAL 622 -9.667 -0.122 -1.986 103 HA VAL 622 HA VAL 622 -11.573 1.944 -2.723 104 HB VAL 622 HB VAL 622 -11.533 -0.933 -3.633 105 HG11 VAL 622 HG11 VAL 622 -13.103 1.467 -4.324 106 HG12 VAL 622 HG12 VAL 622 -13.542 -0.239 -4.397 107 HG13 VAL 622 HG13 VAL 622 -12.561 0.474 -5.677 108 HG21 VAL 622 HG21 VAL 622 -10.177 -0.334 -5.461 109 HG22 VAL 622 HG22 VAL 622 -9.392 0.377 -4.051 110 HG23 VAL 622 HG23 VAL 622 -10.351 1.390 -5.130 111 H GLU 623 HN GLU 623 -11.398 -0.874 -0.692 112 HA GLU 623 HA GLU 623 -14.182 -1.335 -0.430 113 HB2 GLU 623 HB2 GLU 623 -12.333 -2.947 0.163 114 HB3 GLU 623 HB1 GLU 623 -12.053 -1.985 1.607 115 HG2 GLU 623 HG2 GLU 623 -13.989 -2.667 2.610 116 HG3 GLU 623 HG1 GLU 623 -14.803 -2.976 1.077 117 H SER 624 HN SER 624 -11.888 0.690 1.318 118 HA SER 624 HA SER 624 -14.126 1.733 2.924 119 HB2 SER 624 HB2 SER 624 -12.664 2.158 4.701 120 HB3 SER 624 HB1 SER 624 -12.075 0.622 4.063 121 HG SER 624 HG SER 624 -10.515 1.851 2.872 122 H GLY 625 HN GLY 625 -11.658 2.521 0.632 123 HA2 GLY 625 HA2 GLY 625 -11.621 4.444 -0.699 124 HA3 GLY 625 HA1 GLY 625 -12.745 5.208 0.412 125 H LYS 626 HN LYS 626 -10.521 3.998 2.425 126 HA LYS 626 HA LYS 626 -9.323 6.521 2.929 127 HB2 LYS 626 HB2 LYS 626 -9.779 4.473 4.516 128 HB3 LYS 626 HB1 LYS 626 -8.170 3.978 4.005 129 HG2 LYS 626 HG2 LYS 626 -7.164 5.868 4.957 130 HG3 LYS 626 HG1 LYS 626 -8.705 6.714 5.110 131 HD2 LYS 626 HD2 LYS 626 -9.335 4.712 6.656 132 HD3 LYS 626 HD1 LYS 626 -7.587 4.490 6.768 133 HE2 LYS 626 HE2 LYS 626 -7.467 6.950 7.388 134 HE3 LYS 626 HE1 LYS 626 -9.218 6.883 7.578 135 HZ1 LYS 626 HZ1 LYS 626 -8.879 5.070 9.199 136 HZ2 LYS 626 HZ2 LYS 626 -8.193 6.536 9.693 137 HZ3 LYS 626 HZ3 LYS 626 -7.206 5.304 9.085 138 H ILE 627 HN ILE 627 -7.040 7.008 2.916 139 HA ILE 627 HA ILE 627 -5.549 5.546 0.835 140 HB ILE 627 HB ILE 627 -5.325 8.514 1.317 141 HG12 ILE 627 HG12 ILE 627 -6.564 7.730 -1.200 142 HG13 ILE 627 HG11 ILE 627 -7.526 7.233 0.189 143 HG21 ILE 627 HG21 ILE 627 -4.047 8.576 -0.666 144 HG22 ILE 627 HG22 ILE 627 -4.499 6.927 -1.098 145 HG23 ILE 627 HG23 ILE 627 -3.424 7.218 0.270 146 HD11 ILE 627 HD11 ILE 627 -7.216 9.828 -0.980 147 HD12 ILE 627 HD12 ILE 627 -6.736 9.861 0.718 148 HD13 ILE 627 HD13 ILE 627 -8.341 9.284 0.266 149 H LEU 628 HN LEU 628 -3.848 4.567 1.727 150 HA LEU 628 HA LEU 628 -2.706 5.584 4.192 151 HB2 LEU 628 HB2 LEU 628 -1.943 3.149 2.577 152 HB3 LEU 628 HB1 LEU 628 -1.354 3.546 4.179 153 HG LEU 628 HG LEU 628 -4.265 3.046 3.579 154 HD11 LEU 628 HD11 LEU 628 -4.020 0.812 4.254 155 HD12 LEU 628 HD12 LEU 628 -2.378 1.081 4.840 156 HD13 LEU 628 HD13 LEU 628 -2.708 1.089 3.108 157 HD21 LEU 628 HD21 LEU 628 -3.203 4.291 5.705 158 HD22 LEU 628 HD22 LEU 628 -3.078 2.618 6.247 159 HD23 LEU 628 HD23 LEU 628 -4.647 3.283 5.793 160 H THR 629 HN THR 629 -0.915 6.776 4.336 161 HA THR 629 HA THR 629 0.501 7.482 1.904 162 HB THR 629 HB THR 629 1.272 9.338 3.012 163 HG1 THR 629 HG1 THR 629 2.304 9.147 4.813 164 HG21 THR 629 HG21 THR 629 -0.666 9.095 5.180 165 HG22 THR 629 HG22 THR 629 -1.337 8.833 3.570 166 HG23 THR 629 HG23 THR 629 -0.491 10.336 3.939 167 H GLY 630 HN GLY 630 2.946 7.596 2.005 168 HA2 GLY 630 HA2 GLY 630 4.062 5.090 2.199 169 HA3 GLY 630 HA1 GLY 630 4.990 6.579 2.284 170 H THR 631 HN THR 631 3.386 7.275 4.790 171 HA THR 631 HA THR 631 5.279 6.290 6.646 172 HB THR 631 HB THR 631 4.055 7.543 8.283 173 HG1 THR 631 HG1 THR 631 1.972 7.615 6.368 174 HG21 THR 631 HG21 THR 631 3.464 9.674 6.832 175 HG22 THR 631 HG22 THR 631 4.394 8.784 5.625 176 HG23 THR 631 HG23 THR 631 5.127 9.195 7.176 177 H ASP 632 HN ASP 632 1.860 5.508 6.056 178 HA ASP 632 HA ASP 632 2.016 3.376 8.058 179 HB2 ASP 632 HB2 ASP 632 -0.363 4.462 6.540 180 HB3 ASP 632 HB1 ASP 632 -0.432 3.227 7.793 181 H ALA 633 HN ALA 633 1.798 3.872 4.635 182 HA ALA 633 HA ALA 633 0.839 1.373 3.822 183 HB1 ALA 633 HB1 ALA 633 1.329 2.033 1.691 184 HB2 ALA 633 HB2 ALA 633 2.861 2.774 2.152 185 HB3 ALA 633 HB3 ALA 633 1.343 3.600 2.501 186 HA PRO 634 HA PRO 634 4.222 -1.391 4.460 187 HB2 PRO 634 HB2 PRO 634 3.949 -3.106 2.397 188 HB3 PRO 634 HB1 PRO 634 2.782 -3.042 3.725 189 HG2 PRO 634 HG2 PRO 634 2.618 -1.796 1.002 190 HG3 PRO 634 HG1 PRO 634 1.375 -2.694 1.893 191 HD2 PRO 634 HD2 PRO 634 1.428 0.012 1.801 192 HD3 PRO 634 HD1 PRO 634 0.833 -0.882 3.215 193 H LYS 635 HN LYS 635 6.240 -2.203 3.543 194 HA LYS 635 HA LYS 635 7.575 -0.211 1.989 195 HB2 LYS 635 HB2 LYS 635 8.484 -2.935 2.941 196 HB3 LYS 635 HB1 LYS 635 9.529 -1.755 2.161 197 HG2 LYS 635 HG2 LYS 635 8.866 -0.168 4.037 198 HG3 LYS 635 HG1 LYS 635 8.212 -1.591 4.849 199 HD2 LYS 635 HD2 LYS 635 10.489 -2.655 4.522 200 HD3 LYS 635 HD1 LYS 635 11.064 -1.055 4.049 201 HE2 LYS 635 HE2 LYS 635 11.561 -1.228 6.337 202 HE3 LYS 635 HE1 LYS 635 10.106 -0.233 6.259 203 HZ1 LYS 635 HZ1 LYS 635 10.043 -1.975 7.993 204 HZ2 LYS 635 HZ2 LYS 635 10.093 -3.155 6.782 205 HZ3 LYS 635 HZ3 LYS 635 8.776 -2.098 6.878 206 H ALA 636 HN ALA 636 9.046 -1.013 0.114 207 HA ALA 636 HA ALA 636 7.386 -1.728 -2.028 208 HB1 ALA 636 HB1 ALA 636 9.365 -0.447 -2.429 209 HB2 ALA 636 HB2 ALA 636 9.510 -1.970 -3.308 210 HB3 ALA 636 HB3 ALA 636 10.389 -1.737 -1.796 211 H GLY 637 HN GLY 637 9.713 -3.658 -0.168 212 HA2 GLY 637 HA2 GLY 637 9.313 -6.022 -1.731 213 HA3 GLY 637 HA1 GLY 637 10.159 -5.920 -0.196 214 H GLN 638 HN GLN 638 7.951 -4.818 1.296 215 HA GLN 638 HA GLN 638 6.505 -7.297 1.729 216 HB2 GLN 638 HB2 GLN 638 6.655 -4.708 3.267 217 HB3 GLN 638 HB1 GLN 638 5.583 -6.026 3.723 218 HG2 GLN 638 HG2 GLN 638 7.523 -7.505 3.965 219 HG3 GLN 638 HG1 GLN 638 8.585 -6.163 3.544 220 HE21 GLN 638 HE21 GLN 638 5.759 -6.463 5.667 221 HE22 GLN 638 HE22 GLN 638 6.540 -5.850 7.080 222 H LEU 639 HN LEU 639 5.991 -4.582 -0.138 223 HA LEU 639 HA LEU 639 3.310 -3.952 0.293 224 HB2 LEU 639 HB2 LEU 639 4.721 -2.585 -1.114 225 HB3 LEU 639 HB1 LEU 639 4.919 -3.901 -2.256 226 HG LEU 639 HG LEU 639 2.354 -3.758 -2.542 227 HD11 LEU 639 HD11 LEU 639 2.968 -1.174 -1.141 228 HD12 LEU 639 HD12 LEU 639 1.715 -2.358 -0.768 229 HD13 LEU 639 HD13 LEU 639 1.583 -1.360 -2.216 230 HD21 LEU 639 HD21 LEU 639 4.193 -1.592 -3.546 231 HD22 LEU 639 HD22 LEU 639 2.611 -1.974 -4.224 232 HD23 LEU 639 HD23 LEU 639 3.909 -3.165 -4.290 233 H GLU 640 HN GLU 640 4.707 -6.287 -2.010 234 HA GLU 640 HA GLU 640 2.397 -7.204 -3.186 235 HB2 GLU 640 HB2 GLU 640 5.063 -8.393 -2.646 236 HB3 GLU 640 HB1 GLU 640 3.779 -9.495 -3.127 237 HG2 GLU 640 HG2 GLU 640 3.430 -8.271 -5.170 238 HG3 GLU 640 HG1 GLU 640 4.601 -7.049 -4.675 239 H ALA 641 HN ALA 641 3.930 -8.470 -0.253 240 HA ALA 641 HA ALA 641 1.942 -10.409 0.284 241 HB1 ALA 641 HB1 ALA 641 4.221 -10.501 1.215 242 HB2 ALA 641 HB2 ALA 641 2.980 -10.622 2.462 243 HB3 ALA 641 HB3 ALA 641 3.845 -9.104 2.226 244 H TRP 642 HN TRP 642 2.333 -7.040 1.194 245 HA TRP 642 HA TRP 642 0.283 -6.978 3.149 246 HB2 TRP 642 HB2 TRP 642 2.146 -5.264 2.768 247 HB3 TRP 642 HB1 TRP 642 1.137 -4.622 1.475 248 HD1 TRP 642 HD1 TRP 642 1.357 -4.837 5.274 249 HE1 TRP 642 HE1 TRP 642 -0.358 -3.212 6.298 250 HE3 TRP 642 HE3 TRP 642 -1.132 -3.498 1.017 251 HZ2 TRP 642 HZ2 TRP 642 -2.485 -1.578 5.414 252 HZ3 TRP 642 HZ3 TRP 642 -2.994 -1.900 1.190 253 HH2 TRP 642 HH2 TRP 642 -3.655 -0.961 3.344 254 H LEU 643 HN LEU 643 0.331 -6.453 -0.332 255 HA LEU 643 HA LEU 643 -2.329 -5.492 -0.544 256 HB2 LEU 643 HB2 LEU 643 -0.188 -6.322 -2.362 257 HB3 LEU 643 HB1 LEU 643 -1.793 -6.683 -2.970 258 HG LEU 643 HG LEU 643 -1.223 -3.938 -1.936 259 HD11 LEU 643 HD11 LEU 643 -0.075 -5.181 -4.364 260 HD12 LEU 643 HD12 LEU 643 0.539 -3.867 -3.360 261 HD13 LEU 643 HD13 LEU 643 -0.746 -3.558 -4.527 262 HD21 LEU 643 HD21 LEU 643 -3.410 -3.974 -2.518 263 HD22 LEU 643 HD22 LEU 643 -3.196 -5.293 -3.670 264 HD23 LEU 643 HD23 LEU 643 -2.743 -3.648 -4.119 265 H GLU 644 HN GLU 644 -0.865 -8.700 -0.940 266 HA GLU 644 HA GLU 644 -3.213 -10.072 -1.641 267 HB2 GLU 644 HB2 GLU 644 -0.526 -10.728 -1.225 268 HB3 GLU 644 HB1 GLU 644 -1.407 -11.697 -0.053 269 HG2 GLU 644 HG2 GLU 644 -1.245 -13.040 -1.953 270 HG3 GLU 644 HG1 GLU 644 -2.891 -12.409 -1.984 271 H MET 645 HN MET 645 -1.818 -9.216 1.469 272 HA MET 645 HA MET 645 -3.770 -10.711 2.975 273 HB2 MET 645 HB2 MET 645 -1.286 -9.917 3.579 274 HB3 MET 645 HB1 MET 645 -2.172 -8.561 4.263 275 HG2 MET 645 HG2 MET 645 -3.426 -10.035 5.687 276 HG3 MET 645 HG1 MET 645 -2.692 -11.447 4.930 277 HE1 MET 645 HE1 MET 645 -1.416 -12.728 6.288 278 HE2 MET 645 HE2 MET 645 0.015 -12.261 7.205 279 HE3 MET 645 HE3 MET 645 0.025 -12.162 5.444 280 H ASN 646 HN ASN 646 -3.479 -7.525 1.661 281 HA ASN 646 HA ASN 646 -5.999 -6.774 2.991 282 HB2 ASN 646 HB2 ASN 646 -3.761 -4.880 2.241 283 HB3 ASN 646 HB1 ASN 646 -5.260 -4.460 3.063 284 HD21 ASN 646 HD21 ASN 646 -2.067 -5.553 3.405 285 HD22 ASN 646 HD22 ASN 646 -2.085 -5.811 5.113 286 HA PRO 647 HA PRO 647 -6.531 -6.812 -1.644 287 HB2 PRO 647 HB2 PRO 647 -9.211 -7.759 -0.854 288 HB3 PRO 647 HB1 PRO 647 -8.081 -8.437 -2.029 289 HG2 PRO 647 HG2 PRO 647 -8.538 -9.638 0.321 290 HG3 PRO 647 HG1 PRO 647 -6.930 -9.642 -0.428 291 HD2 PRO 647 HD2 PRO 647 -7.970 -7.959 1.821 292 HD3 PRO 647 HD1 PRO 647 -6.384 -8.737 1.635 293 H GLY 648 HN GLY 648 -7.687 -5.362 -2.892 294 HA2 GLY 648 HA2 GLY 648 -9.505 -3.829 -3.237 295 HA3 GLY 648 HA1 GLY 648 -9.587 -3.602 -1.497 296 H TYR 649 HN TYR 649 -6.496 -3.480 -1.618 297 HA TYR 649 HA TYR 649 -6.402 -0.607 -1.885 298 HB2 TYR 649 HB2 TYR 649 -4.569 -2.713 -0.833 299 HB3 TYR 649 HB1 TYR 649 -3.879 -1.164 -1.304 300 HD1 TYR 649 HD1 TYR 649 -6.306 -2.791 0.958 301 HD2 TYR 649 HD2 TYR 649 -4.151 0.764 0.058 302 HE1 TYR 649 HE1 TYR 649 -6.945 -1.856 3.143 303 HE2 TYR 649 HE2 TYR 649 -4.782 1.712 2.238 304 HH TYR 649 HH TYR 649 -5.808 0.030 4.743 305 H GLU 650 HN GLU 650 -4.642 0.460 -3.083 306 HA GLU 650 HA GLU 650 -3.538 -1.003 -5.338 307 HB2 GLU 650 HB2 GLU 650 -5.352 1.385 -5.729 308 HB3 GLU 650 HB1 GLU 650 -4.422 0.595 -6.993 309 HG2 GLU 650 HG2 GLU 650 -5.732 -1.529 -6.204 310 HG3 GLU 650 HG1 GLU 650 -6.864 -0.332 -5.574 311 H VAL 651 HN VAL 651 -1.728 -0.024 -6.245 312 HA VAL 651 HA VAL 651 -0.151 1.563 -4.591 313 HB VAL 651 HB VAL 651 0.126 1.405 -7.592 314 HG11 VAL 651 HG11 VAL 651 1.837 2.322 -5.366 315 HG12 VAL 651 HG12 VAL 651 1.765 2.864 -7.043 316 HG13 VAL 651 HG13 VAL 651 2.628 1.383 -6.631 317 HG21 VAL 651 HG21 VAL 651 1.818 -0.481 -6.687 318 HG22 VAL 651 HG22 VAL 651 0.170 -0.822 -7.216 319 HG23 VAL 651 HG23 VAL 651 0.524 -0.634 -5.499 320 H ALA 652 HN ALA 652 -0.022 3.685 -4.208 321 HA ALA 652 HA ALA 652 -1.877 5.467 -5.514 322 HB1 ALA 652 HB1 ALA 652 0.092 6.646 -3.688 323 HB2 ALA 652 HB2 ALA 652 -0.879 5.349 -2.990 324 HB3 ALA 652 HB3 ALA 652 -1.669 6.762 -3.692 325 HA PRO 653 HA PRO 653 1.093 6.874 -8.524 326 HB2 PRO 653 HB2 PRO 653 -0.311 8.953 -9.521 327 HB3 PRO 653 HB1 PRO 653 -0.733 7.273 -9.873 328 HG2 PRO 653 HG2 PRO 653 -1.943 9.151 -7.881 329 HG3 PRO 653 HG1 PRO 653 -2.748 8.021 -8.986 330 HD2 PRO 653 HD2 PRO 653 -2.330 7.478 -6.354 331 HD3 PRO 653 HD1 PRO 653 -2.389 6.220 -7.605 332 H ARG 654 HN ARG 654 2.461 8.687 -8.949 333 HA ARG 654 HA ARG 654 3.269 10.089 -6.631 334 HB2 ARG 654 HB2 ARG 654 4.014 10.809 -9.463 335 HB3 ARG 654 HB1 ARG 654 4.944 11.093 -7.999 336 HG2 ARG 654 HG2 ARG 654 6.064 9.263 -8.630 337 HG3 ARG 654 HG1 ARG 654 4.695 8.396 -7.932 338 HD2 ARG 654 HD2 ARG 654 4.329 7.480 -9.922 339 HD3 ARG 654 HD1 ARG 654 3.926 9.080 -10.541 340 HE ARG 654 HE ARG 654 5.950 9.143 -11.613 341 HH11 ARG 654 HH11 ARG 654 5.976 6.543 -9.286 342 HH12 ARG 654 HH12 ARG 654 7.481 5.892 -9.843 343 HH21 ARG 654 HH21 ARG 654 7.929 8.289 -12.347 344 HH22 ARG 654 HH22 ARG 654 8.591 6.884 -11.581 345 H SER 655 HN SER 655 3.176 12.295 -6.139 346 HA SER 655 HA SER 655 1.325 13.930 -7.720 347 HB2 SER 655 HB2 SER 655 0.526 14.753 -5.330 348 HB3 SER 655 HB1 SER 655 -0.209 13.347 -6.100 349 HG SER 655 HG SER 655 1.217 12.039 -4.874 350 H ASP 656 HN ASP 656 3.809 14.437 -8.131 351 HA ASP 656 HA ASP 656 4.307 16.921 -6.691 352 HB2 ASP 656 HB2 ASP 656 5.822 14.532 -6.229 353 HB3 ASP 656 HB1 ASP 656 6.859 15.717 -7.017 354 H SER 657 HN SER 657 6.080 14.844 -8.987 355 HA SER 657 HA SER 657 6.505 17.169 -10.700 356 HB2 SER 657 HB2 SER 657 7.824 14.530 -10.348 357 HB3 SER 657 HB1 SER 657 7.849 15.217 -11.971 358 HG SER 657 HG SER 657 8.647 17.185 -10.882 359 H GLU 658 HN GLU 658 5.436 13.787 -11.075 360 HA GLU 658 HA GLU 658 3.247 14.499 -12.741 361 HB2 GLU 658 HB2 GLU 658 5.115 14.834 -14.343 362 HB3 GLU 658 HB1 GLU 658 5.576 13.152 -14.119 363 HG2 GLU 658 HG2 GLU 658 3.182 12.608 -14.868 364 HG3 GLU 658 HG1 GLU 658 3.143 14.271 -15.454 Start of MODEL 10 1 H1 SER 610 HT1 SER 610 21.490 5.297 -1.268 2 H2 SER 610 HT2 SER 610 21.870 6.816 -1.970 3 H3 SER 610 HT3 SER 610 21.488 5.476 -2.973 4 HA SER 610 HA SER 610 19.610 6.564 -1.001 5 HB2 SER 610 HB2 SER 610 18.623 7.823 -2.909 6 HB3 SER 610 HB1 SER 610 20.245 8.380 -2.501 7 HG SER 610 HG SER 610 21.018 7.074 -4.236 8 H GLN 611 HN GLN 611 18.868 4.445 -0.650 9 HA GLN 611 HA GLN 611 18.098 2.754 -2.837 10 HB2 GLN 611 HB2 GLN 611 17.245 2.450 0.038 11 HB3 GLN 611 HB1 GLN 611 17.389 1.197 -1.186 12 HG2 GLN 611 HG2 GLN 611 19.374 0.756 -0.300 13 HG3 GLN 611 HG1 GLN 611 19.927 2.243 -1.069 14 HE21 GLN 611 HE21 GLN 611 20.068 0.628 1.699 15 HE22 GLN 611 HE22 GLN 611 20.172 1.928 2.832 16 H MET 612 HN MET 612 16.610 3.923 -4.053 17 HA MET 612 HA MET 612 14.302 5.151 -2.935 18 HB2 MET 612 HB2 MET 612 13.526 5.313 -5.273 19 HB3 MET 612 HB1 MET 612 15.175 5.888 -5.075 20 HG2 MET 612 HG2 MET 612 16.010 3.749 -5.934 21 HG3 MET 612 HG1 MET 612 14.348 3.209 -6.167 22 HE1 MET 612 HE1 MET 612 17.270 4.452 -8.322 23 HE2 MET 612 HE2 MET 612 16.203 4.001 -9.652 24 HE3 MET 612 HE3 MET 612 16.356 2.946 -8.246 25 H SER 613 HN SER 613 14.868 2.054 -4.568 26 HA SER 613 HA SER 613 12.228 1.149 -4.630 27 HB2 SER 613 HB2 SER 613 14.589 0.151 -5.508 28 HB3 SER 613 HB1 SER 613 14.306 -0.895 -4.118 29 HG SER 613 HG SER 613 12.147 -1.209 -5.057 30 H ASP 614 HN ASP 614 14.474 1.376 -2.004 31 HA ASP 614 HA ASP 614 13.121 -0.487 -0.291 32 HB2 ASP 614 HB2 ASP 614 15.612 0.625 -0.273 33 HB3 ASP 614 HB1 ASP 614 14.809 1.574 0.974 34 H LEU 615 HN LEU 615 12.795 2.872 -1.060 35 HA LEU 615 HA LEU 615 11.557 3.833 1.251 36 HB2 LEU 615 HB2 LEU 615 10.918 4.653 -1.581 37 HB3 LEU 615 HB1 LEU 615 10.672 5.605 -0.129 38 HG LEU 615 HG LEU 615 13.366 4.776 -1.209 39 HD11 LEU 615 HD11 LEU 615 12.721 6.359 -2.734 40 HD12 LEU 615 HD12 LEU 615 13.433 7.383 -1.488 41 HD13 LEU 615 HD13 LEU 615 11.681 7.202 -1.587 42 HD21 LEU 615 HD21 LEU 615 12.476 6.316 1.194 43 HD22 LEU 615 HD22 LEU 615 14.024 6.676 0.431 44 HD23 LEU 615 HD23 LEU 615 13.706 5.060 1.061 45 HA PRO 616 HA PRO 616 7.606 1.867 1.284 46 HB2 PRO 616 HB2 PRO 616 6.117 3.726 2.568 47 HB3 PRO 616 HB1 PRO 616 7.347 2.758 3.391 48 HG2 PRO 616 HG2 PRO 616 7.523 5.563 2.358 49 HG3 PRO 616 HG1 PRO 616 8.104 4.899 3.897 50 HD2 PRO 616 HD2 PRO 616 9.737 5.335 1.773 51 HD3 PRO 616 HD1 PRO 616 10.012 4.030 2.943 52 H VAL 617 HN VAL 617 5.608 1.838 0.251 53 HA VAL 617 HA VAL 617 5.137 4.032 -1.663 54 HB VAL 617 HB VAL 617 4.375 1.142 -2.080 55 HG11 VAL 617 HG11 VAL 617 3.024 2.187 -3.556 56 HG12 VAL 617 HG12 VAL 617 4.493 2.242 -4.530 57 HG13 VAL 617 HG13 VAL 617 4.007 3.651 -3.587 58 HG21 VAL 617 HG21 VAL 617 6.311 1.607 -3.912 59 HG22 VAL 617 HG22 VAL 617 6.590 0.832 -2.353 60 HG23 VAL 617 HG23 VAL 617 6.912 2.554 -2.552 61 H LYS 618 HN LYS 618 3.223 5.023 -1.563 62 HA LYS 618 HA LYS 618 1.358 4.418 0.475 63 HB2 LYS 618 HB2 LYS 618 0.879 6.148 -1.953 64 HB3 LYS 618 HB1 LYS 618 0.040 6.227 -0.411 65 HG2 LYS 618 HG2 LYS 618 1.469 7.833 0.139 66 HG3 LYS 618 HG1 LYS 618 2.691 6.568 0.278 67 HD2 LYS 618 HD2 LYS 618 3.750 7.956 -1.190 68 HD3 LYS 618 HD1 LYS 618 2.862 6.947 -2.334 69 HE2 LYS 618 HE2 LYS 618 1.937 8.794 -3.150 70 HE3 LYS 618 HE1 LYS 618 1.101 9.000 -1.611 71 HZ1 LYS 618 HZ1 LYS 618 3.422 10.393 -2.662 72 HZ2 LYS 618 HZ2 LYS 618 3.485 10.012 -1.015 73 HZ3 LYS 618 HZ3 LYS 618 2.208 10.942 -1.618 74 H VAL 619 HN VAL 619 -1.098 4.370 -0.208 75 HA VAL 619 HA VAL 619 -1.674 2.756 -2.520 76 HB VAL 619 HB VAL 619 -2.748 0.928 -1.147 77 HG11 VAL 619 HG11 VAL 619 -0.846 -0.395 -1.202 78 HG12 VAL 619 HG12 VAL 619 0.213 0.931 -0.720 79 HG13 VAL 619 HG13 VAL 619 -0.460 0.888 -2.350 80 HG21 VAL 619 HG21 VAL 619 -2.155 0.594 1.105 81 HG22 VAL 619 HG22 VAL 619 -2.589 2.300 0.989 82 HG23 VAL 619 HG23 VAL 619 -0.891 1.824 1.039 83 H ILE 620 HN ILE 620 -3.971 2.351 -2.782 84 HA ILE 620 HA ILE 620 -5.651 4.161 -1.177 85 HB ILE 620 HB ILE 620 -5.335 5.207 -3.320 86 HG12 ILE 620 HG12 ILE 620 -7.672 5.229 -4.188 87 HG13 ILE 620 HG11 ILE 620 -8.036 3.845 -3.163 88 HG21 ILE 620 HG21 ILE 620 -6.476 3.586 -5.240 89 HG22 ILE 620 HG22 ILE 620 -5.491 2.475 -4.289 90 HG23 ILE 620 HG23 ILE 620 -4.754 3.898 -5.023 91 HD11 ILE 620 HD11 ILE 620 -7.708 6.687 -2.472 92 HD12 ILE 620 HD12 ILE 620 -7.066 5.520 -1.318 93 HD13 ILE 620 HD13 ILE 620 -8.766 5.460 -1.779 94 H HIS 621 HN HIS 621 -7.368 3.228 -0.276 95 HA HIS 621 HA HIS 621 -7.992 0.465 -0.970 96 HB2 HIS 621 HB2 HIS 621 -7.660 1.422 1.431 97 HB3 HIS 621 HB1 HIS 621 -9.307 2.002 1.246 98 HD1 HIS 621 HD1 HIS 621 -9.167 0.136 3.432 99 HD2 HIS 621 HD2 HIS 621 -9.429 -1.245 -0.477 100 HE1 HIS 621 HE1 HIS 621 -10.039 -2.216 3.608 101 HE2 HIS 621 HE2 HIS 621 -10.284 -2.995 1.224 102 H VAL 622 HN VAL 622 -9.754 -0.113 -2.091 103 HA VAL 622 HA VAL 622 -11.572 1.966 -2.994 104 HB VAL 622 HB VAL 622 -11.599 -0.958 -3.741 105 HG11 VAL 622 HG11 VAL 622 -13.069 1.447 -4.612 106 HG12 VAL 622 HG12 VAL 622 -13.563 -0.245 -4.602 107 HG13 VAL 622 HG13 VAL 622 -12.524 0.362 -5.890 108 HG21 VAL 622 HG21 VAL 622 -10.268 1.272 -5.266 109 HG22 VAL 622 HG22 VAL 622 -10.212 -0.457 -5.607 110 HG23 VAL 622 HG23 VAL 622 -9.403 0.187 -4.178 111 H GLU 623 HN GLU 623 -11.609 -0.912 -0.981 112 HA GLU 623 HA GLU 623 -14.424 -1.092 -0.705 113 HB2 GLU 623 HB2 GLU 623 -12.060 -2.278 0.646 114 HB3 GLU 623 HB1 GLU 623 -13.580 -2.304 1.528 115 HG2 GLU 623 HG2 GLU 623 -14.490 -3.250 -0.758 116 HG3 GLU 623 HG1 GLU 623 -12.802 -3.718 -0.961 117 H SER 624 HN SER 624 -11.937 0.683 1.029 118 HA SER 624 HA SER 624 -14.015 1.768 2.813 119 HB2 SER 624 HB2 SER 624 -11.135 1.144 3.203 120 HB3 SER 624 HB1 SER 624 -11.770 2.561 4.037 121 HG SER 624 HG SER 624 -13.302 1.247 5.027 122 H GLY 625 HN GLY 625 -11.698 2.558 0.365 123 HA2 GLY 625 HA2 GLY 625 -11.603 4.522 -0.880 124 HA3 GLY 625 HA1 GLY 625 -12.738 5.254 0.242 125 H LYS 626 HN LYS 626 -10.476 3.985 2.207 126 HA LYS 626 HA LYS 626 -9.282 6.530 2.730 127 HB2 LYS 626 HB2 LYS 626 -9.797 4.364 4.267 128 HB3 LYS 626 HB1 LYS 626 -8.087 4.114 3.947 129 HG2 LYS 626 HG2 LYS 626 -8.924 6.818 4.814 130 HG3 LYS 626 HG1 LYS 626 -8.960 5.524 6.013 131 HD2 LYS 626 HD2 LYS 626 -6.713 5.371 6.101 132 HD3 LYS 626 HD1 LYS 626 -6.529 5.624 4.365 133 HE2 LYS 626 HE2 LYS 626 -5.585 7.427 5.874 134 HE3 LYS 626 HE1 LYS 626 -6.662 7.965 4.586 135 HZ1 LYS 626 HZ1 LYS 626 -7.913 7.363 7.141 136 HZ2 LYS 626 HZ2 LYS 626 -8.231 8.613 6.047 137 HZ3 LYS 626 HZ3 LYS 626 -6.920 8.733 7.106 138 H ILE 627 HN ILE 627 -6.987 6.959 2.777 139 HA ILE 627 HA ILE 627 -5.467 5.393 0.794 140 HB ILE 627 HB ILE 627 -5.189 8.371 1.150 141 HG12 ILE 627 HG12 ILE 627 -6.398 7.673 -1.355 142 HG13 ILE 627 HG11 ILE 627 -7.364 6.996 -0.049 143 HG21 ILE 627 HG21 ILE 627 -3.385 6.799 0.116 144 HG22 ILE 627 HG22 ILE 627 -3.774 8.331 -0.665 145 HG23 ILE 627 HG23 ILE 627 -4.447 6.826 -1.292 146 HD11 ILE 627 HD11 ILE 627 -7.694 9.135 0.920 147 HD12 ILE 627 HD12 ILE 627 -8.034 9.278 -0.804 148 HD13 ILE 627 HD13 ILE 627 -6.505 9.872 -0.155 149 H LEU 628 HN LEU 628 -3.715 4.506 1.668 150 HA LEU 628 HA LEU 628 -2.655 5.567 4.161 151 HB2 LEU 628 HB2 LEU 628 -1.799 3.107 2.638 152 HB3 LEU 628 HB1 LEU 628 -1.339 3.535 4.273 153 HG LEU 628 HG LEU 628 -4.213 3.074 3.532 154 HD11 LEU 628 HD11 LEU 628 -3.949 0.772 4.338 155 HD12 LEU 628 HD12 LEU 628 -2.207 1.020 4.451 156 HD13 LEU 628 HD13 LEU 628 -3.005 1.073 2.880 157 HD21 LEU 628 HD21 LEU 628 -4.631 3.140 5.756 158 HD22 LEU 628 HD22 LEU 628 -3.177 4.138 5.756 159 HD23 LEU 628 HD23 LEU 628 -3.073 2.430 6.181 160 H THR 629 HN THR 629 -0.820 6.705 4.339 161 HA THR 629 HA THR 629 0.612 7.403 1.914 162 HB THR 629 HB THR 629 1.414 9.239 3.037 163 HG1 THR 629 HG1 THR 629 2.323 9.121 4.932 164 HG21 THR 629 HG21 THR 629 -0.543 9.023 5.188 165 HG22 THR 629 HG22 THR 629 -1.208 8.778 3.573 166 HG23 THR 629 HG23 THR 629 -0.338 10.264 3.952 167 H GLY 630 HN GLY 630 3.056 7.479 2.016 168 HA2 GLY 630 HA2 GLY 630 4.128 4.948 2.221 169 HA3 GLY 630 HA1 GLY 630 5.080 6.421 2.274 170 H THR 631 HN THR 631 3.503 7.171 4.790 171 HA THR 631 HA THR 631 5.405 6.196 6.640 172 HB THR 631 HB THR 631 4.230 7.490 8.265 173 HG1 THR 631 HG1 THR 631 2.126 6.880 7.921 174 HG21 THR 631 HG21 THR 631 4.617 8.643 5.611 175 HG22 THR 631 HG22 THR 631 5.154 9.212 7.191 176 HG23 THR 631 HG23 THR 631 3.508 9.538 6.648 177 H ASP 632 HN ASP 632 1.979 5.425 6.083 178 HA ASP 632 HA ASP 632 2.136 3.317 8.110 179 HB2 ASP 632 HB2 ASP 632 -0.071 4.845 6.837 180 HB3 ASP 632 HB1 ASP 632 -0.422 3.189 7.325 181 H ALA 633 HN ALA 633 1.811 3.781 4.677 182 HA ALA 633 HA ALA 633 0.894 1.245 3.933 183 HB1 ALA 633 HB1 ALA 633 1.388 1.843 1.752 184 HB2 ALA 633 HB2 ALA 633 2.800 2.788 2.222 185 HB3 ALA 633 HB3 ALA 633 1.180 3.408 2.537 186 HA PRO 634 HA PRO 634 4.399 -1.383 4.477 187 HB2 PRO 634 HB2 PRO 634 4.043 -3.203 2.529 188 HB3 PRO 634 HB1 PRO 634 2.944 -3.088 3.910 189 HG2 PRO 634 HG2 PRO 634 2.617 -2.000 1.136 190 HG3 PRO 634 HG1 PRO 634 1.438 -2.858 2.143 191 HD2 PRO 634 HD2 PRO 634 1.469 -0.154 1.885 192 HD3 PRO 634 HD1 PRO 634 0.915 -0.977 3.357 193 H LYS 635 HN LYS 635 6.373 -2.186 3.483 194 HA LYS 635 HA LYS 635 7.492 -0.265 1.645 195 HB2 LYS 635 HB2 LYS 635 8.778 -2.751 2.789 196 HB3 LYS 635 HB1 LYS 635 9.600 -1.387 2.043 197 HG2 LYS 635 HG2 LYS 635 8.767 0.055 3.878 198 HG3 LYS 635 HG1 LYS 635 8.088 -1.382 4.646 199 HD2 LYS 635 HD2 LYS 635 10.643 -2.185 4.192 200 HD3 LYS 635 HD1 LYS 635 10.875 -0.459 4.480 201 HE2 LYS 635 HE2 LYS 635 9.485 -0.740 6.565 202 HE3 LYS 635 HE1 LYS 635 9.585 -2.481 6.302 203 HZ1 LYS 635 HZ1 LYS 635 12.153 -1.801 6.144 204 HZ2 LYS 635 HZ2 LYS 635 11.402 -2.271 7.584 205 HZ3 LYS 635 HZ3 LYS 635 11.613 -0.629 7.238 206 H ALA 636 HN ALA 636 8.611 -0.870 -0.326 207 HA ALA 636 HA ALA 636 7.057 -2.279 -2.127 208 HB1 ALA 636 HB1 ALA 636 9.211 -0.686 -2.356 209 HB2 ALA 636 HB2 ALA 636 8.590 -1.683 -3.672 210 HB3 ALA 636 HB3 ALA 636 9.949 -2.250 -2.700 211 H GLY 637 HN GLY 637 9.461 -3.473 0.086 212 HA2 GLY 637 HA2 GLY 637 9.892 -5.976 -1.229 213 HA3 GLY 637 HA1 GLY 637 10.365 -5.568 0.410 214 H GLN 638 HN GLN 638 7.705 -4.906 1.339 215 HA GLN 638 HA GLN 638 6.566 -7.626 1.377 216 HB2 GLN 638 HB2 GLN 638 5.762 -7.156 3.621 217 HB3 GLN 638 HB1 GLN 638 7.498 -6.891 3.531 218 HG2 GLN 638 HG2 GLN 638 6.651 -4.408 3.009 219 HG3 GLN 638 HG1 GLN 638 5.304 -4.976 3.995 220 HE21 GLN 638 HE21 GLN 638 5.987 -6.096 6.051 221 HE22 GLN 638 HE22 GLN 638 7.281 -5.371 6.936 222 H LEU 639 HN LEU 639 5.980 -4.989 -0.237 223 HA LEU 639 HA LEU 639 3.378 -4.173 0.436 224 HB2 LEU 639 HB2 LEU 639 4.757 -2.836 -1.018 225 HB3 LEU 639 HB1 LEU 639 4.848 -4.131 -2.196 226 HG LEU 639 HG LEU 639 2.249 -3.854 -2.302 227 HD11 LEU 639 HD11 LEU 639 3.156 -1.431 -0.841 228 HD12 LEU 639 HD12 LEU 639 1.653 -2.343 -0.700 229 HD13 LEU 639 HD13 LEU 639 1.896 -1.249 -2.062 230 HD21 LEU 639 HD21 LEU 639 3.771 -3.436 -4.154 231 HD22 LEU 639 HD22 LEU 639 4.143 -1.840 -3.503 232 HD23 LEU 639 HD23 LEU 639 2.517 -2.198 -4.081 233 H GLU 640 HN GLU 640 4.503 -6.541 -1.971 234 HA GLU 640 HA GLU 640 2.056 -7.286 -3.017 235 HB2 GLU 640 HB2 GLU 640 4.740 -8.402 -2.921 236 HB3 GLU 640 HB1 GLU 640 3.508 -9.657 -2.941 237 HG2 GLU 640 HG2 GLU 640 3.476 -7.395 -4.903 238 HG3 GLU 640 HG1 GLU 640 4.436 -8.849 -5.174 239 H ALA 641 HN ALA 641 3.669 -8.476 -0.114 240 HA ALA 641 HA ALA 641 1.746 -10.485 0.473 241 HB1 ALA 641 HB1 ALA 641 2.811 -10.526 2.710 242 HB2 ALA 641 HB2 ALA 641 3.771 -9.122 2.242 243 HB3 ALA 641 HB3 ALA 641 3.969 -10.650 1.385 244 H TRP 642 HN TRP 642 2.153 -7.124 1.425 245 HA TRP 642 HA TRP 642 0.112 -7.072 3.380 246 HB2 TRP 642 HB2 TRP 642 1.950 -5.358 3.053 247 HB3 TRP 642 HB1 TRP 642 1.017 -4.736 1.697 248 HD1 TRP 642 HD1 TRP 642 1.191 -4.671 5.467 249 HE1 TRP 642 HE1 TRP 642 -0.616 -3.080 6.377 250 HE3 TRP 642 HE3 TRP 642 -1.428 -3.864 1.152 251 HZ2 TRP 642 HZ2 TRP 642 -2.855 -1.667 5.395 252 HZ3 TRP 642 HZ3 TRP 642 -3.388 -2.380 1.222 253 HH2 TRP 642 HH2 TRP 642 -4.087 -1.306 3.300 254 H LEU 643 HN LEU 643 0.138 -6.219 -0.066 255 HA LEU 643 HA LEU 643 -2.536 -5.376 -0.225 256 HB2 LEU 643 HB2 LEU 643 -0.622 -6.480 -2.267 257 HB3 LEU 643 HB1 LEU 643 -2.257 -6.014 -2.693 258 HG LEU 643 HG LEU 643 -0.490 -4.043 -1.301 259 HD11 LEU 643 HD11 LEU 643 0.534 -3.337 -3.293 260 HD12 LEU 643 HD12 LEU 643 -0.509 -4.354 -4.288 261 HD13 LEU 643 HD13 LEU 643 0.729 -5.090 -3.270 262 HD21 LEU 643 HD21 LEU 643 -2.302 -3.330 -3.518 263 HD22 LEU 643 HD22 LEU 643 -2.007 -2.515 -1.982 264 HD23 LEU 643 HD23 LEU 643 -3.066 -3.923 -2.043 265 H GLU 644 HN GLU 644 -1.040 -8.551 -0.747 266 HA GLU 644 HA GLU 644 -3.353 -9.913 -1.561 267 HB2 GLU 644 HB2 GLU 644 -0.652 -10.592 -0.773 268 HB3 GLU 644 HB1 GLU 644 -1.799 -11.757 -0.128 269 HG2 GLU 644 HG2 GLU 644 -2.191 -12.655 -2.129 270 HG3 GLU 644 HG1 GLU 644 -2.285 -11.082 -2.919 271 H MET 645 HN MET 645 -2.026 -9.255 1.642 272 HA MET 645 HA MET 645 -4.032 -10.798 3.004 273 HB2 MET 645 HB2 MET 645 -1.679 -9.189 3.750 274 HB3 MET 645 HB1 MET 645 -2.984 -9.175 4.929 275 HG2 MET 645 HG2 MET 645 -2.739 -11.841 4.238 276 HG3 MET 645 HG1 MET 645 -1.077 -11.256 4.289 277 HE1 MET 645 HE1 MET 645 -2.691 -13.220 7.498 278 HE2 MET 645 HE2 MET 645 -1.028 -13.239 6.910 279 HE3 MET 645 HE3 MET 645 -2.366 -13.446 5.780 280 H ASN 646 HN ASN 646 -3.729 -7.546 1.860 281 HA ASN 646 HA ASN 646 -6.285 -6.876 3.164 282 HB2 ASN 646 HB2 ASN 646 -4.084 -4.917 2.483 283 HB3 ASN 646 HB1 ASN 646 -5.580 -4.568 3.342 284 HD21 ASN 646 HD21 ASN 646 -2.367 -5.689 3.577 285 HD22 ASN 646 HD22 ASN 646 -2.351 -5.985 5.279 286 HA PRO 647 HA PRO 647 -6.816 -6.808 -1.467 287 HB2 PRO 647 HB2 PRO 647 -9.533 -7.641 -0.647 288 HB3 PRO 647 HB1 PRO 647 -8.462 -8.338 -1.867 289 HG2 PRO 647 HG2 PRO 647 -8.910 -9.582 0.458 290 HG3 PRO 647 HG1 PRO 647 -7.318 -9.623 -0.320 291 HD2 PRO 647 HD2 PRO 647 -8.255 -7.975 1.997 292 HD3 PRO 647 HD1 PRO 647 -6.697 -8.792 1.751 293 H GLY 648 HN GLY 648 -7.918 -5.292 -2.696 294 HA2 GLY 648 HA2 GLY 648 -9.662 -3.671 -3.008 295 HA3 GLY 648 HA1 GLY 648 -9.721 -3.460 -1.265 296 H TYR 649 HN TYR 649 -6.582 -3.524 -1.576 297 HA TYR 649 HA TYR 649 -6.389 -0.628 -1.858 298 HB2 TYR 649 HB2 TYR 649 -4.703 -2.741 -0.591 299 HB3 TYR 649 HB1 TYR 649 -3.939 -1.234 -1.085 300 HD1 TYR 649 HD1 TYR 649 -6.490 -2.717 1.125 301 HD2 TYR 649 HD2 TYR 649 -4.289 0.784 0.141 302 HE1 TYR 649 HE1 TYR 649 -7.225 -1.673 3.229 303 HE2 TYR 649 HE2 TYR 649 -5.012 1.843 2.242 304 HH TYR 649 HH TYR 649 -5.871 1.292 4.382 305 H GLU 650 HN GLU 650 -4.677 0.347 -3.099 306 HA GLU 650 HA GLU 650 -3.366 -1.286 -5.112 307 HB2 GLU 650 HB2 GLU 650 -5.349 0.884 -5.813 308 HB3 GLU 650 HB1 GLU 650 -4.199 0.202 -6.956 309 HG2 GLU 650 HG2 GLU 650 -5.333 -2.057 -6.086 310 HG3 GLU 650 HG1 GLU 650 -6.678 -0.944 -5.843 311 H VAL 651 HN VAL 651 -1.625 -0.212 -6.163 312 HA VAL 651 HA VAL 651 -0.122 1.497 -4.576 313 HB VAL 651 HB VAL 651 0.099 1.323 -7.582 314 HG11 VAL 651 HG11 VAL 651 2.310 2.025 -7.341 315 HG12 VAL 651 HG12 VAL 651 2.336 1.666 -5.615 316 HG13 VAL 651 HG13 VAL 651 1.421 3.049 -6.214 317 HG21 VAL 651 HG21 VAL 651 1.892 -0.458 -6.815 318 HG22 VAL 651 HG22 VAL 651 0.208 -0.906 -7.087 319 HG23 VAL 651 HG23 VAL 651 0.793 -0.626 -5.446 320 H ALA 652 HN ALA 652 -0.213 3.607 -4.152 321 HA ALA 652 HA ALA 652 -2.113 5.261 -5.590 322 HB1 ALA 652 HB1 ALA 652 -2.356 5.778 -3.396 323 HB2 ALA 652 HB2 ALA 652 -1.105 6.956 -3.792 324 HB3 ALA 652 HB3 ALA 652 -0.669 5.434 -3.013 325 HA PRO 653 HA PRO 653 0.767 7.110 -8.406 326 HB2 PRO 653 HB2 PRO 653 -0.815 9.586 -7.927 327 HB3 PRO 653 HB1 PRO 653 -0.409 8.786 -9.450 328 HG2 PRO 653 HG2 PRO 653 -2.866 8.615 -8.440 329 HG3 PRO 653 HG1 PRO 653 -2.108 7.223 -9.235 330 HD2 PRO 653 HD2 PRO 653 -2.507 7.759 -6.324 331 HD3 PRO 653 HD1 PRO 653 -2.607 6.226 -7.215 332 H ARG 654 HN ARG 654 2.410 8.736 -8.491 333 HA ARG 654 HA ARG 654 4.088 10.003 -7.625 334 HB2 ARG 654 HB2 ARG 654 2.005 10.863 -5.611 335 HB3 ARG 654 HB1 ARG 654 3.516 11.691 -5.957 336 HG2 ARG 654 HG2 ARG 654 1.857 11.270 -8.320 337 HG3 ARG 654 HG1 ARG 654 1.088 12.261 -7.078 338 HD2 ARG 654 HD2 ARG 654 2.663 13.923 -7.236 339 HD3 ARG 654 HD1 ARG 654 3.918 12.826 -7.814 340 HE ARG 654 HE ARG 654 2.097 12.863 -9.833 341 HH11 ARG 654 HH11 ARG 654 3.856 15.333 -8.107 342 HH12 ARG 654 HH12 ARG 654 3.904 16.419 -9.455 343 HH21 ARG 654 HH21 ARG 654 2.159 14.289 -11.609 344 HH22 ARG 654 HH22 ARG 654 2.940 15.826 -11.444 345 H SER 655 HN SER 655 5.646 10.087 -5.922 346 HA SER 655 HA SER 655 5.450 7.777 -4.128 347 HB2 SER 655 HB2 SER 655 7.451 8.440 -5.823 348 HB3 SER 655 HB1 SER 655 8.015 9.243 -4.358 349 HG SER 655 HG SER 655 8.418 6.799 -4.887 350 H ASP 656 HN ASP 656 5.861 11.246 -4.163 351 HA ASP 656 HA ASP 656 5.940 11.241 -1.217 352 HB2 ASP 656 HB2 ASP 656 7.122 13.098 -3.256 353 HB3 ASP 656 HB1 ASP 656 6.744 13.694 -1.643 354 H SER 657 HN SER 657 4.794 13.022 -0.152 355 HA SER 657 HA SER 657 2.436 13.900 -1.687 356 HB2 SER 657 HB2 SER 657 2.145 13.594 1.245 357 HB3 SER 657 HB1 SER 657 1.003 13.228 -0.049 358 HG SER 657 HG SER 657 3.258 11.675 0.703 359 H GLU 658 HN GLU 658 3.857 14.597 1.510 360 HA GLU 658 HA GLU 658 3.159 17.351 1.382 361 HB2 GLU 658 HB2 GLU 658 4.922 15.750 3.226 362 HB3 GLU 658 HB1 GLU 658 4.729 17.488 3.402 363 HG2 GLU 658 HG2 GLU 658 3.054 16.935 4.769 364 HG3 GLU 658 HG1 GLU 658 2.145 16.698 3.278 Start of MODEL 11 1 H1 SER 610 HT1 SER 610 17.048 2.459 -7.530 2 H2 SER 610 HT2 SER 610 18.564 1.884 -8.095 3 H3 SER 610 HT3 SER 610 18.491 3.281 -7.102 4 HA SER 610 HA SER 610 17.511 0.671 -6.203 5 HB2 SER 610 HB2 SER 610 20.252 1.724 -5.559 6 HB3 SER 610 HB1 SER 610 19.644 0.072 -5.450 7 HG SER 610 HG SER 610 19.584 0.056 -7.758 8 H GLN 611 HN GLN 611 16.568 3.436 -5.862 9 HA GLN 611 HA GLN 611 17.121 3.779 -2.987 10 HB2 GLN 611 HB2 GLN 611 16.219 5.866 -4.980 11 HB3 GLN 611 HB1 GLN 611 16.523 6.142 -3.270 12 HG2 GLN 611 HG2 GLN 611 18.874 5.021 -4.133 13 HG3 GLN 611 HG1 GLN 611 18.379 6.009 -5.506 14 HE21 GLN 611 HE21 GLN 611 19.709 5.979 -2.380 15 HE22 GLN 611 HE22 GLN 611 19.863 7.686 -2.169 16 H MET 612 HN MET 612 14.572 4.378 -5.411 17 HA MET 612 HA MET 612 12.457 4.613 -3.596 18 HB2 MET 612 HB2 MET 612 12.469 3.726 -6.483 19 HB3 MET 612 HB1 MET 612 11.006 4.068 -5.571 20 HG2 MET 612 HG2 MET 612 11.546 6.353 -5.371 21 HG3 MET 612 HG1 MET 612 13.199 6.085 -5.922 22 HE1 MET 612 HE1 MET 612 13.070 7.994 -7.358 23 HE2 MET 612 HE2 MET 612 11.379 8.470 -7.514 24 HE3 MET 612 HE3 MET 612 12.315 8.055 -8.950 25 H SER 613 HN SER 613 14.044 1.812 -4.919 26 HA SER 613 HA SER 613 12.095 -0.137 -4.500 27 HB2 SER 613 HB2 SER 613 15.056 -0.570 -4.090 28 HB3 SER 613 HB1 SER 613 13.856 -1.745 -4.628 29 HG SER 613 HG SER 613 14.732 -1.113 -6.488 30 H ASP 614 HN ASP 614 14.067 1.584 -2.232 31 HA ASP 614 HA ASP 614 13.349 -0.274 -0.080 32 HB2 ASP 614 HB2 ASP 614 15.730 0.881 -0.572 33 HB3 ASP 614 HB1 ASP 614 15.035 2.101 0.491 34 H LEU 615 HN LEU 615 12.728 2.929 -1.286 35 HA LEU 615 HA LEU 615 11.624 4.066 1.043 36 HB2 LEU 615 HB2 LEU 615 11.075 4.638 -1.867 37 HB3 LEU 615 HB1 LEU 615 10.485 5.624 -0.542 38 HG LEU 615 HG LEU 615 13.417 5.126 -1.030 39 HD11 LEU 615 HD11 LEU 615 11.914 6.398 -2.834 40 HD12 LEU 615 HD12 LEU 615 13.564 6.884 -2.447 41 HD13 LEU 615 HD13 LEU 615 12.200 7.731 -1.718 42 HD21 LEU 615 HD21 LEU 615 13.825 6.579 0.660 43 HD22 LEU 615 HD22 LEU 615 12.249 6.007 1.210 44 HD23 LEU 615 HD23 LEU 615 12.377 7.533 0.336 45 HA PRO 616 HA PRO 616 7.671 2.131 1.332 46 HB2 PRO 616 HB2 PRO 616 6.186 4.074 2.464 47 HB3 PRO 616 HB1 PRO 616 7.479 3.248 3.341 48 HG2 PRO 616 HG2 PRO 616 7.513 5.921 1.993 49 HG3 PRO 616 HG1 PRO 616 8.174 5.456 3.571 50 HD2 PRO 616 HD2 PRO 616 9.698 5.693 1.322 51 HD3 PRO 616 HD1 PRO 616 10.087 4.580 2.649 52 H VAL 617 HN VAL 617 5.706 1.928 0.294 53 HA VAL 617 HA VAL 617 5.115 3.951 -1.769 54 HB VAL 617 HB VAL 617 4.500 1.002 -1.963 55 HG11 VAL 617 HG11 VAL 617 3.345 3.054 -3.299 56 HG12 VAL 617 HG12 VAL 617 3.524 1.422 -3.944 57 HG13 VAL 617 HG13 VAL 617 4.692 2.672 -4.372 58 HG21 VAL 617 HG21 VAL 617 6.830 1.041 -2.050 59 HG22 VAL 617 HG22 VAL 617 6.866 2.582 -2.906 60 HG23 VAL 617 HG23 VAL 617 6.352 1.119 -3.746 61 H LYS 618 HN LYS 618 3.322 5.033 -1.312 62 HA LYS 618 HA LYS 618 1.439 4.269 0.629 63 HB2 LYS 618 HB2 LYS 618 0.898 6.184 -1.636 64 HB3 LYS 618 HB1 LYS 618 0.187 6.184 -0.028 65 HG2 LYS 618 HG2 LYS 618 1.709 7.688 0.540 66 HG3 LYS 618 HG1 LYS 618 2.914 6.403 0.427 67 HD2 LYS 618 HD2 LYS 618 3.735 8.132 -0.934 68 HD3 LYS 618 HD1 LYS 618 3.039 6.958 -2.055 69 HE2 LYS 618 HE2 LYS 618 1.971 8.728 -2.924 70 HE3 LYS 618 HE1 LYS 618 0.899 8.562 -1.535 71 HZ1 LYS 618 HZ1 LYS 618 3.141 10.448 -1.911 72 HZ2 LYS 618 HZ2 LYS 618 2.550 10.089 -0.368 73 HZ3 LYS 618 HZ3 LYS 618 1.529 10.786 -1.523 74 H VAL 619 HN VAL 619 -1.009 4.268 0.008 75 HA VAL 619 HA VAL 619 -1.653 2.908 -2.443 76 HB VAL 619 HB VAL 619 -2.707 0.951 -1.201 77 HG11 VAL 619 HG11 VAL 619 -0.876 -0.371 -1.619 78 HG12 VAL 619 HG12 VAL 619 0.261 0.812 -0.972 79 HG13 VAL 619 HG13 VAL 619 -0.473 1.070 -2.555 80 HG21 VAL 619 HG21 VAL 619 -2.060 0.409 0.957 81 HG22 VAL 619 HG22 VAL 619 -2.257 2.158 1.050 82 HG23 VAL 619 HG23 VAL 619 -0.644 1.459 0.905 83 H ILE 620 HN ILE 620 -3.954 2.560 -2.704 84 HA ILE 620 HA ILE 620 -5.585 4.160 -0.843 85 HB ILE 620 HB ILE 620 -5.277 5.450 -2.859 86 HG12 ILE 620 HG12 ILE 620 -7.602 5.157 -1.697 87 HG13 ILE 620 HG11 ILE 620 -7.497 6.025 -3.223 88 HG21 ILE 620 HG21 ILE 620 -6.247 3.000 -4.315 89 HG22 ILE 620 HG22 ILE 620 -4.657 3.753 -4.423 90 HG23 ILE 620 HG23 ILE 620 -6.074 4.593 -5.052 91 HD11 ILE 620 HD11 ILE 620 -7.957 3.174 -3.574 92 HD12 ILE 620 HD12 ILE 620 -8.811 4.557 -4.255 93 HD13 ILE 620 HD13 ILE 620 -9.219 3.976 -2.641 94 H HIS 621 HN HIS 621 -7.293 3.148 -0.029 95 HA HIS 621 HA HIS 621 -7.932 0.470 -0.950 96 HB2 HIS 621 HB2 HIS 621 -7.702 1.279 1.511 97 HB3 HIS 621 HB1 HIS 621 -9.333 1.891 1.294 98 HD1 HIS 621 HD1 HIS 621 -10.296 0.221 3.003 99 HD2 HIS 621 HD2 HIS 621 -8.419 -1.571 -0.240 100 HE1 HIS 621 HE1 HIS 621 -10.946 -2.207 3.107 101 HE2 HIS 621 HE2 HIS 621 -9.861 -3.256 1.090 102 H VAL 622 HN VAL 622 -9.562 0.011 -2.282 103 HA VAL 622 HA VAL 622 -11.401 2.122 -3.056 104 HB VAL 622 HB VAL 622 -11.243 -0.695 -4.132 105 HG11 VAL 622 HG11 VAL 622 -13.341 0.458 -4.610 106 HG12 VAL 622 HG12 VAL 622 -12.385 0.246 -6.076 107 HG13 VAL 622 HG13 VAL 622 -12.446 1.820 -5.284 108 HG21 VAL 622 HG21 VAL 622 -10.138 1.494 -5.743 109 HG22 VAL 622 HG22 VAL 622 -9.532 -0.140 -5.479 110 HG23 VAL 622 HG23 VAL 622 -9.221 1.119 -4.285 111 H GLU 623 HN GLU 623 -11.419 -0.861 -1.249 112 HA GLU 623 HA GLU 623 -14.224 -1.272 -1.245 113 HB2 GLU 623 HB2 GLU 623 -12.617 -3.050 -0.697 114 HB3 GLU 623 HB1 GLU 623 -12.151 -2.180 0.758 115 HG2 GLU 623 HG2 GLU 623 -13.621 -3.657 1.654 116 HG3 GLU 623 HG1 GLU 623 -14.730 -2.342 1.268 117 H SER 624 HN SER 624 -12.038 0.527 0.857 118 HA SER 624 HA SER 624 -14.371 1.454 2.398 119 HB2 SER 624 HB2 SER 624 -12.391 0.234 3.553 120 HB3 SER 624 HB1 SER 624 -11.530 1.757 3.333 121 HG SER 624 HG SER 624 -12.791 2.699 4.772 122 H GLY 625 HN GLY 625 -11.767 2.423 0.337 123 HA2 GLY 625 HA2 GLY 625 -11.673 4.460 -0.822 124 HA3 GLY 625 HA1 GLY 625 -12.823 5.136 0.320 125 H LYS 626 HN LYS 626 -10.811 3.789 2.381 126 HA LYS 626 HA LYS 626 -9.513 6.223 3.052 127 HB2 LYS 626 HB2 LYS 626 -9.981 3.704 4.278 128 HB3 LYS 626 HB1 LYS 626 -8.250 4.000 4.335 129 HG2 LYS 626 HG2 LYS 626 -8.567 6.057 5.501 130 HG3 LYS 626 HG1 LYS 626 -10.315 5.977 5.271 131 HD2 LYS 626 HD2 LYS 626 -10.528 4.158 6.760 132 HD3 LYS 626 HD1 LYS 626 -8.790 3.854 6.758 133 HE2 LYS 626 HE2 LYS 626 -9.287 4.911 8.819 134 HE3 LYS 626 HE1 LYS 626 -8.506 6.126 7.807 135 HZ1 LYS 626 HZ1 LYS 626 -10.371 7.354 7.690 136 HZ2 LYS 626 HZ2 LYS 626 -10.769 6.555 9.126 137 HZ3 LYS 626 HZ3 LYS 626 -11.405 6.016 7.654 138 H ILE 627 HN ILE 627 -7.350 6.798 2.930 139 HA ILE 627 HA ILE 627 -5.696 5.155 1.124 140 HB ILE 627 HB ILE 627 -5.597 8.164 1.344 141 HG12 ILE 627 HG12 ILE 627 -6.625 6.760 -1.084 142 HG13 ILE 627 HG11 ILE 627 -7.708 6.951 0.292 143 HG21 ILE 627 HG21 ILE 627 -3.524 6.956 0.644 144 HG22 ILE 627 HG22 ILE 627 -4.154 8.088 -0.553 145 HG23 ILE 627 HG23 ILE 627 -4.416 6.356 -0.755 146 HD11 ILE 627 HD11 ILE 627 -7.622 8.730 -1.622 147 HD12 ILE 627 HD12 ILE 627 -6.236 9.330 -0.712 148 HD13 ILE 627 HD13 ILE 627 -7.818 9.221 0.061 149 H LEU 628 HN LEU 628 -3.726 4.595 1.835 150 HA LEU 628 HA LEU 628 -2.836 5.727 4.392 151 HB2 LEU 628 HB2 LEU 628 -1.827 3.221 3.052 152 HB3 LEU 628 HB1 LEU 628 -1.534 3.737 4.701 153 HG LEU 628 HG LEU 628 -4.322 3.160 3.760 154 HD11 LEU 628 HD11 LEU 628 -2.770 1.224 3.276 155 HD12 LEU 628 HD12 LEU 628 -4.132 0.883 4.343 156 HD13 LEU 628 HD13 LEU 628 -2.518 1.113 5.019 157 HD21 LEU 628 HD21 LEU 628 -3.937 4.340 5.906 158 HD22 LEU 628 HD22 LEU 628 -3.021 2.943 6.469 159 HD23 LEU 628 HD23 LEU 628 -4.736 2.781 6.097 160 H THR 629 HN THR 629 -0.920 6.769 4.594 161 HA THR 629 HA THR 629 0.461 7.489 2.146 162 HB THR 629 HB THR 629 1.324 9.291 3.278 163 HG1 THR 629 HG1 THR 629 1.260 7.724 5.639 164 HG21 THR 629 HG21 THR 629 -0.389 10.330 4.249 165 HG22 THR 629 HG22 THR 629 -0.586 9.075 5.472 166 HG23 THR 629 HG23 THR 629 -1.293 8.864 3.870 167 H GLY 630 HN GLY 630 2.903 7.534 2.185 168 HA2 GLY 630 HA2 GLY 630 3.947 4.984 2.318 169 HA3 GLY 630 HA1 GLY 630 4.919 6.445 2.357 170 H THR 631 HN THR 631 3.476 7.216 4.924 171 HA THR 631 HA THR 631 5.410 6.219 6.707 172 HB THR 631 HB THR 631 4.261 7.456 8.388 173 HG1 THR 631 HG1 THR 631 2.183 7.405 8.435 174 HG21 THR 631 HG21 THR 631 5.288 8.805 6.541 175 HG22 THR 631 HG22 THR 631 4.030 9.616 7.474 176 HG23 THR 631 HG23 THR 631 3.664 8.974 5.873 177 H ASP 632 HN ASP 632 1.995 5.393 6.215 178 HA ASP 632 HA ASP 632 2.243 3.214 8.156 179 HB2 ASP 632 HB2 ASP 632 -0.115 4.547 6.842 180 HB3 ASP 632 HB1 ASP 632 -0.281 3.015 7.694 181 H ALA 633 HN ALA 633 2.126 3.800 4.775 182 HA ALA 633 HA ALA 633 1.074 1.383 3.836 183 HB1 ALA 633 HB1 ALA 633 3.008 2.204 1.983 184 HB2 ALA 633 HB2 ALA 633 2.401 3.681 2.733 185 HB3 ALA 633 HB3 ALA 633 1.281 2.557 1.963 186 HA PRO 634 HA PRO 634 4.289 -1.563 4.527 187 HB2 PRO 634 HB2 PRO 634 3.980 -3.232 2.437 188 HB3 PRO 634 HB1 PRO 634 2.771 -3.112 3.722 189 HG2 PRO 634 HG2 PRO 634 2.784 -1.832 1.011 190 HG3 PRO 634 HG1 PRO 634 1.455 -2.657 1.848 191 HD2 PRO 634 HD2 PRO 634 1.698 0.046 1.784 192 HD3 PRO 634 HD1 PRO 634 0.969 -0.822 3.152 193 H LYS 635 HN LYS 635 6.287 -2.467 3.650 194 HA LYS 635 HA LYS 635 7.768 -0.523 2.171 195 HB2 LYS 635 HB2 LYS 635 8.461 -3.278 3.190 196 HB3 LYS 635 HB1 LYS 635 9.605 -2.267 2.317 197 HG2 LYS 635 HG2 LYS 635 8.863 -0.520 4.187 198 HG3 LYS 635 HG1 LYS 635 8.565 -2.017 5.073 199 HD2 LYS 635 HD2 LYS 635 10.857 -2.738 4.643 200 HD3 LYS 635 HD1 LYS 635 11.157 -1.261 3.723 201 HE2 LYS 635 HE2 LYS 635 10.292 -0.165 5.997 202 HE3 LYS 635 HE1 LYS 635 10.932 -1.673 6.651 203 HZ1 LYS 635 HZ1 LYS 635 12.957 -0.993 5.131 204 HZ2 LYS 635 HZ2 LYS 635 12.797 -0.409 6.709 205 HZ3 LYS 635 HZ3 LYS 635 12.342 0.560 5.400 206 H ALA 636 HN ALA 636 9.292 -1.456 0.356 207 HA ALA 636 HA ALA 636 7.688 -1.961 -1.880 208 HB1 ALA 636 HB1 ALA 636 10.539 -2.762 -1.986 209 HB2 ALA 636 HB2 ALA 636 10.177 -1.081 -1.599 210 HB3 ALA 636 HB3 ALA 636 9.592 -1.784 -3.107 211 H GLY 637 HN GLY 637 9.805 -4.171 -0.057 212 HA2 GLY 637 HA2 GLY 637 9.103 -6.442 -1.651 213 HA3 GLY 637 HA1 GLY 637 10.000 -6.468 -0.141 214 H GLN 638 HN GLN 638 7.975 -5.158 1.435 215 HA GLN 638 HA GLN 638 6.327 -7.466 1.959 216 HB2 GLN 638 HB2 GLN 638 6.851 -4.868 3.343 217 HB3 GLN 638 HB1 GLN 638 5.431 -5.805 3.787 218 HG2 GLN 638 HG2 GLN 638 7.744 -7.500 3.680 219 HG3 GLN 638 HG1 GLN 638 8.046 -6.111 4.723 220 HE21 GLN 638 HE21 GLN 638 5.709 -5.628 5.902 221 HE22 GLN 638 HE22 GLN 638 5.184 -6.984 6.835 222 H LEU 639 HN LEU 639 5.997 -4.740 0.013 223 HA LEU 639 HA LEU 639 3.347 -3.974 0.351 224 HB2 LEU 639 HB2 LEU 639 4.843 -2.725 -1.067 225 HB3 LEU 639 HB1 LEU 639 5.022 -4.090 -2.154 226 HG LEU 639 HG LEU 639 2.428 -3.820 -2.453 227 HD11 LEU 639 HD11 LEU 639 2.006 -2.166 -0.797 228 HD12 LEU 639 HD12 LEU 639 1.820 -1.392 -2.371 229 HD13 LEU 639 HD13 LEU 639 3.283 -1.126 -1.424 230 HD21 LEU 639 HD21 LEU 639 2.921 -2.078 -4.246 231 HD22 LEU 639 HD22 LEU 639 3.828 -3.589 -4.318 232 HD23 LEU 639 HD23 LEU 639 4.590 -2.134 -3.676 233 H GLU 640 HN GLU 640 4.659 -6.468 -1.831 234 HA GLU 640 HA GLU 640 2.288 -7.285 -2.997 235 HB2 GLU 640 HB2 GLU 640 4.796 -8.818 -2.337 236 HB3 GLU 640 HB1 GLU 640 3.462 -9.538 -3.228 237 HG2 GLU 640 HG2 GLU 640 4.041 -8.528 -5.122 238 HG3 GLU 640 HG1 GLU 640 4.284 -6.976 -4.322 239 H ALA 641 HN ALA 641 3.802 -8.494 -0.033 240 HA ALA 641 HA ALA 641 1.785 -10.400 0.545 241 HB1 ALA 641 HB1 ALA 641 3.289 -9.269 2.813 242 HB2 ALA 641 HB2 ALA 641 4.261 -9.957 1.513 243 HB3 ALA 641 HB3 ALA 641 3.053 -10.948 2.330 244 H TRP 642 HN TRP 642 2.270 -7.029 1.397 245 HA TRP 642 HA TRP 642 0.233 -6.851 3.346 246 HB2 TRP 642 HB2 TRP 642 2.096 -5.187 2.950 247 HB3 TRP 642 HB1 TRP 642 1.185 -4.613 1.556 248 HD1 TRP 642 HD1 TRP 642 1.368 -4.320 5.304 249 HE1 TRP 642 HE1 TRP 642 -0.434 -2.675 6.125 250 HE3 TRP 642 HE3 TRP 642 -1.288 -3.796 0.970 251 HZ2 TRP 642 HZ2 TRP 642 -2.682 -1.331 5.073 252 HZ3 TRP 642 HZ3 TRP 642 -3.250 -2.314 0.960 253 HH2 TRP 642 HH2 TRP 642 -3.932 -1.107 2.969 254 H LEU 643 HN LEU 643 0.265 -6.251 -0.145 255 HA LEU 643 HA LEU 643 -2.390 -5.332 -0.350 256 HB2 LEU 643 HB2 LEU 643 -0.377 -6.444 -2.250 257 HB3 LEU 643 HB1 LEU 643 -2.045 -6.336 -2.779 258 HG LEU 643 HG LEU 643 -0.837 -3.896 -1.587 259 HD11 LEU 643 HD11 LEU 643 -0.364 -4.258 -4.475 260 HD12 LEU 643 HD12 LEU 643 0.697 -5.160 -3.392 261 HD13 LEU 643 HD13 LEU 643 0.590 -3.405 -3.262 262 HD21 LEU 643 HD21 LEU 643 -3.230 -4.425 -2.686 263 HD22 LEU 643 HD22 LEU 643 -2.352 -3.891 -4.119 264 HD23 LEU 643 HD23 LEU 643 -2.477 -2.830 -2.715 265 H GLU 644 HN GLU 644 -0.960 -8.563 -0.693 266 HA GLU 644 HA GLU 644 -3.307 -9.928 -1.396 267 HB2 GLU 644 HB2 GLU 644 -0.633 -10.644 -0.395 268 HB3 GLU 644 HB1 GLU 644 -1.894 -11.796 0.023 269 HG2 GLU 644 HG2 GLU 644 -2.409 -11.359 -2.611 270 HG3 GLU 644 HG1 GLU 644 -0.652 -11.210 -2.559 271 H MET 645 HN MET 645 -1.964 -9.025 1.729 272 HA MET 645 HA MET 645 -3.975 -10.448 3.223 273 HB2 MET 645 HB2 MET 645 -1.616 -8.766 3.851 274 HB3 MET 645 HB1 MET 645 -2.901 -8.785 5.051 275 HG2 MET 645 HG2 MET 645 -1.348 -10.459 5.658 276 HG3 MET 645 HG1 MET 645 -2.773 -11.280 5.024 277 HE1 MET 645 HE1 MET 645 -2.381 -13.310 3.046 278 HE2 MET 645 HE2 MET 645 -1.882 -13.358 4.737 279 HE3 MET 645 HE3 MET 645 -0.776 -13.901 3.476 280 H ASN 646 HN ASN 646 -3.638 -7.313 1.811 281 HA ASN 646 HA ASN 646 -6.176 -6.504 3.067 282 HB2 ASN 646 HB2 ASN 646 -3.920 -4.627 2.333 283 HB3 ASN 646 HB1 ASN 646 -5.423 -4.205 3.145 284 HD21 ASN 646 HD21 ASN 646 -2.250 -5.435 3.492 285 HD22 ASN 646 HD22 ASN 646 -2.271 -5.627 5.209 286 HA PRO 647 HA PRO 647 -6.536 -6.661 -1.599 287 HB2 PRO 647 HB2 PRO 647 -9.251 -7.559 -0.833 288 HB3 PRO 647 HB1 PRO 647 -8.125 -8.251 -2.005 289 HG2 PRO 647 HG2 PRO 647 -8.592 -9.449 0.338 290 HG3 PRO 647 HG1 PRO 647 -6.977 -9.452 -0.394 291 HD2 PRO 647 HD2 PRO 647 -8.039 -7.783 1.852 292 HD3 PRO 647 HD1 PRO 647 -6.445 -8.544 1.669 293 H GLY 648 HN GLY 648 -7.614 -5.205 -2.905 294 HA2 GLY 648 HA2 GLY 648 -9.394 -3.654 -3.342 295 HA3 GLY 648 HA1 GLY 648 -9.546 -3.403 -1.611 296 H TYR 649 HN TYR 649 -6.480 -3.301 -1.536 297 HA TYR 649 HA TYR 649 -6.322 -0.440 -1.861 298 HB2 TYR 649 HB2 TYR 649 -4.566 -2.555 -0.698 299 HB3 TYR 649 HB1 TYR 649 -3.842 -1.015 -1.144 300 HD1 TYR 649 HD1 TYR 649 -6.462 -2.570 0.965 301 HD2 TYR 649 HD2 TYR 649 -4.090 0.883 0.236 302 HE1 TYR 649 HE1 TYR 649 -7.197 -1.618 3.112 303 HE2 TYR 649 HE2 TYR 649 -4.817 1.848 2.379 304 HH TYR 649 HH TYR 649 -7.179 1.328 3.920 305 H GLU 650 HN GLU 650 -4.819 0.672 -3.167 306 HA GLU 650 HA GLU 650 -3.538 -0.880 -5.300 307 HB2 GLU 650 HB2 GLU 650 -5.151 1.620 -5.828 308 HB3 GLU 650 HB1 GLU 650 -4.364 0.593 -7.020 309 HG2 GLU 650 HG2 GLU 650 -5.887 -1.257 -6.288 310 HG3 GLU 650 HG1 GLU 650 -6.754 -0.065 -5.323 311 H VAL 651 HN VAL 651 -1.674 0.037 -6.155 312 HA VAL 651 HA VAL 651 -0.096 1.582 -4.466 313 HB VAL 651 HB VAL 651 0.239 1.374 -7.459 314 HG11 VAL 651 HG11 VAL 651 1.653 2.896 -5.704 315 HG12 VAL 651 HG12 VAL 651 2.289 2.255 -7.219 316 HG13 VAL 651 HG13 VAL 651 2.588 1.401 -5.705 317 HG21 VAL 651 HG21 VAL 651 1.827 -0.445 -5.841 318 HG22 VAL 651 HG22 VAL 651 0.853 -0.765 -7.276 319 HG23 VAL 651 HG23 VAL 651 0.096 -0.738 -5.683 320 H ALA 652 HN ALA 652 -0.016 3.684 -4.022 321 HA ALA 652 HA ALA 652 -1.731 5.526 -5.423 322 HB1 ALA 652 HB1 ALA 652 -1.562 6.833 -3.597 323 HB2 ALA 652 HB2 ALA 652 0.179 6.593 -3.454 324 HB3 ALA 652 HB3 ALA 652 -0.932 5.363 -2.852 325 HA PRO 653 HA PRO 653 1.485 6.507 -8.442 326 HB2 PRO 653 HB2 PRO 653 -0.434 8.709 -9.005 327 HB3 PRO 653 HB1 PRO 653 0.319 7.559 -10.116 328 HG2 PRO 653 HG2 PRO 653 -2.240 7.305 -9.427 329 HG3 PRO 653 HG1 PRO 653 -1.201 5.880 -9.618 330 HD2 PRO 653 HD2 PRO 653 -2.150 7.216 -7.119 331 HD3 PRO 653 HD1 PRO 653 -1.932 5.487 -7.462 332 H ARG 654 HN ARG 654 2.911 8.284 -8.831 333 HA ARG 654 HA ARG 654 3.085 10.113 -6.542 334 HB2 ARG 654 HB2 ARG 654 5.117 8.965 -8.427 335 HB3 ARG 654 HB1 ARG 654 5.471 10.440 -7.538 336 HG2 ARG 654 HG2 ARG 654 4.929 9.181 -5.434 337 HG3 ARG 654 HG1 ARG 654 4.871 7.717 -6.416 338 HD2 ARG 654 HD2 ARG 654 7.157 7.910 -7.000 339 HD3 ARG 654 HD1 ARG 654 7.252 9.555 -6.374 340 HE ARG 654 HE ARG 654 6.554 7.617 -4.377 341 HH11 ARG 654 HH11 ARG 654 9.202 9.123 -6.078 342 HH12 ARG 654 HH12 ARG 654 10.351 8.812 -4.820 343 HH21 ARG 654 HH21 ARG 654 8.062 7.208 -2.720 344 HH22 ARG 654 HH22 ARG 654 9.705 7.725 -2.914 345 H SER 655 HN SER 655 4.017 12.294 -7.017 346 HA SER 655 HA SER 655 2.413 13.619 -8.944 347 HB2 SER 655 HB2 SER 655 3.181 14.651 -6.807 348 HB3 SER 655 HB1 SER 655 4.817 14.708 -7.462 349 HG SER 655 HG SER 655 3.786 15.938 -9.250 350 H ASP 656 HN ASP 656 5.656 12.359 -8.973 351 HA ASP 656 HA ASP 656 6.770 13.816 -11.069 352 HB2 ASP 656 HB2 ASP 656 7.682 11.850 -9.474 353 HB3 ASP 656 HB1 ASP 656 7.408 10.922 -10.945 354 H SER 657 HN SER 657 6.794 13.598 -13.276 355 HA SER 657 HA SER 657 4.702 11.860 -14.402 356 HB2 SER 657 HB2 SER 657 5.850 14.097 -16.000 357 HB3 SER 657 HB1 SER 657 4.198 13.485 -15.945 358 HG SER 657 HG SER 657 5.497 15.124 -14.031 359 H GLU 658 HN GLU 658 5.191 10.390 -15.936 360 HA GLU 658 HA GLU 658 7.537 10.503 -17.544 361 HB2 GLU 658 HB2 GLU 658 8.382 9.757 -15.246 362 HB3 GLU 658 HB1 GLU 658 7.515 8.256 -15.537 363 HG2 GLU 658 HG2 GLU 658 8.934 8.480 -17.831 364 HG3 GLU 658 HG1 GLU 658 10.030 9.238 -16.676 Start of MODEL 12 1 H1 SER 610 HT1 SER 610 19.809 2.450 -1.264 2 H2 SER 610 HT2 SER 610 20.436 3.052 0.215 3 H3 SER 610 HT3 SER 610 21.042 3.641 -1.279 4 HA SER 610 HA SER 610 18.443 4.112 -0.013 5 HB2 SER 610 HB2 SER 610 20.381 5.574 0.508 6 HB3 SER 610 HB1 SER 610 20.550 5.933 -1.210 7 HG SER 610 HG SER 610 18.156 6.407 0.223 8 H GLN 611 HN GLN 611 16.851 3.550 -1.386 9 HA GLN 611 HA GLN 611 16.612 4.950 -3.875 10 HB2 GLN 611 HB2 GLN 611 17.970 2.603 -4.092 11 HB3 GLN 611 HB1 GLN 611 16.319 2.051 -4.340 12 HG2 GLN 611 HG2 GLN 611 16.040 3.363 -6.247 13 HG3 GLN 611 HG1 GLN 611 17.430 4.377 -5.863 14 HE21 GLN 611 HE21 GLN 611 16.568 2.513 -8.155 15 HE22 GLN 611 HE22 GLN 611 17.997 1.595 -8.473 16 H MET 612 HN MET 612 14.519 4.457 -4.960 17 HA MET 612 HA MET 612 12.397 4.556 -3.140 18 HB2 MET 612 HB2 MET 612 10.933 4.373 -5.090 19 HB3 MET 612 HB1 MET 612 12.260 5.483 -5.404 20 HG2 MET 612 HG2 MET 612 13.288 3.136 -6.313 21 HG3 MET 612 HG1 MET 612 11.576 2.947 -6.690 22 HE1 MET 612 HE1 MET 612 10.452 5.373 -7.068 23 HE2 MET 612 HE2 MET 612 10.667 5.907 -8.736 24 HE3 MET 612 HE3 MET 612 11.475 6.766 -7.425 25 H SER 613 HN SER 613 13.936 1.867 -4.728 26 HA SER 613 HA SER 613 11.958 -0.082 -4.480 27 HB2 SER 613 HB2 SER 613 13.706 -1.703 -4.747 28 HB3 SER 613 HB1 SER 613 14.147 -0.299 -5.718 29 HG SER 613 HG SER 613 15.907 -1.066 -4.475 30 H ASP 614 HN ASP 614 13.915 1.421 -2.066 31 HA ASP 614 HA ASP 614 13.208 -0.637 -0.099 32 HB2 ASP 614 HB2 ASP 614 15.597 0.538 -0.487 33 HB3 ASP 614 HB1 ASP 614 14.914 1.663 0.682 34 H LEU 615 HN LEU 615 12.606 2.670 -0.994 35 HA LEU 615 HA LEU 615 11.481 3.535 1.461 36 HB2 LEU 615 HB2 LEU 615 11.099 4.527 -1.362 37 HB3 LEU 615 HB1 LEU 615 10.450 5.333 0.053 38 HG LEU 615 HG LEU 615 13.375 4.795 -0.002 39 HD11 LEU 615 HD11 LEU 615 11.943 6.473 -1.946 40 HD12 LEU 615 HD12 LEU 615 13.549 5.750 -2.031 41 HD13 LEU 615 HD13 LEU 615 13.302 7.245 -1.129 42 HD21 LEU 615 HD21 LEU 615 12.573 5.808 1.966 43 HD22 LEU 615 HD22 LEU 615 11.554 6.933 1.068 44 HD23 LEU 615 HD23 LEU 615 13.308 7.113 1.033 45 HA PRO 616 HA PRO 616 7.459 1.731 1.309 46 HB2 PRO 616 HB2 PRO 616 5.987 3.536 2.659 47 HB3 PRO 616 HB1 PRO 616 7.225 2.555 3.452 48 HG2 PRO 616 HG2 PRO 616 7.377 5.391 2.506 49 HG3 PRO 616 HG1 PRO 616 7.971 4.684 4.018 50 HD2 PRO 616 HD2 PRO 616 9.572 5.195 1.866 51 HD3 PRO 616 HD1 PRO 616 9.897 3.906 3.042 52 H VAL 617 HN VAL 617 5.488 1.777 0.231 53 HA VAL 617 HA VAL 617 5.076 4.070 -1.578 54 HB VAL 617 HB VAL 617 4.324 1.200 -2.145 55 HG11 VAL 617 HG11 VAL 617 2.946 2.299 -3.557 56 HG12 VAL 617 HG12 VAL 617 4.407 2.420 -4.538 57 HG13 VAL 617 HG13 VAL 617 3.910 3.776 -3.524 58 HG21 VAL 617 HG21 VAL 617 6.425 2.455 -3.764 59 HG22 VAL 617 HG22 VAL 617 6.314 0.818 -3.117 60 HG23 VAL 617 HG23 VAL 617 6.878 2.136 -2.090 61 H LYS 618 HN LYS 618 3.186 5.094 -1.413 62 HA LYS 618 HA LYS 618 1.277 4.390 0.547 63 HB2 LYS 618 HB2 LYS 618 0.978 6.301 -1.778 64 HB3 LYS 618 HB1 LYS 618 -0.061 6.234 -0.362 65 HG2 LYS 618 HG2 LYS 618 1.254 7.819 0.475 66 HG3 LYS 618 HG1 LYS 618 2.429 6.530 0.742 67 HD2 LYS 618 HD2 LYS 618 3.789 7.811 -0.506 68 HD3 LYS 618 HD1 LYS 618 2.886 7.141 -1.868 69 HE2 LYS 618 HE2 LYS 618 1.296 9.226 -1.095 70 HE3 LYS 618 HE1 LYS 618 2.911 9.857 -0.772 71 HZ1 LYS 618 HZ1 LYS 618 2.249 8.583 -3.355 72 HZ2 LYS 618 HZ2 LYS 618 3.519 9.642 -2.994 73 HZ3 LYS 618 HZ3 LYS 618 1.932 10.222 -3.078 74 H VAL 619 HN VAL 619 -1.103 4.195 0.024 75 HA VAL 619 HA VAL 619 -1.799 2.937 -2.465 76 HB VAL 619 HB VAL 619 -2.665 0.850 -1.298 77 HG11 VAL 619 HG11 VAL 619 -0.511 1.185 -2.736 78 HG12 VAL 619 HG12 VAL 619 -0.777 -0.327 -1.867 79 HG13 VAL 619 HG13 VAL 619 0.314 0.891 -1.205 80 HG21 VAL 619 HG21 VAL 619 -2.272 1.870 1.004 81 HG22 VAL 619 HG22 VAL 619 -0.569 1.483 0.760 82 HG23 VAL 619 HG23 VAL 619 -1.772 0.194 0.778 83 H ILE 620 HN ILE 620 -4.121 2.364 -2.551 84 HA ILE 620 HA ILE 620 -5.720 3.707 -0.488 85 HB ILE 620 HB ILE 620 -5.540 5.332 -2.255 86 HG12 ILE 620 HG12 ILE 620 -8.231 3.966 -2.479 87 HG13 ILE 620 HG11 ILE 620 -7.755 5.002 -1.138 88 HG21 ILE 620 HG21 ILE 620 -5.715 2.997 -3.952 89 HG22 ILE 620 HG22 ILE 620 -5.109 4.612 -4.315 90 HG23 ILE 620 HG23 ILE 620 -6.830 4.262 -4.468 91 HD11 ILE 620 HD11 ILE 620 -7.894 5.882 -4.010 92 HD12 ILE 620 HD12 ILE 620 -7.586 6.897 -2.602 93 HD13 ILE 620 HD13 ILE 620 -9.163 6.134 -2.812 94 H HIS 621 HN HIS 621 -7.390 2.545 0.188 95 HA HIS 621 HA HIS 621 -7.972 -0.001 -1.038 96 HB2 HIS 621 HB2 HIS 621 -7.918 0.544 1.481 97 HB3 HIS 621 HB1 HIS 621 -9.507 1.251 1.233 98 HD1 HIS 621 HD1 HIS 621 -10.048 -0.755 3.038 99 HD2 HIS 621 HD2 HIS 621 -9.245 -1.865 -0.883 100 HE1 HIS 621 HE1 HIS 621 -10.956 -3.088 2.800 101 HE2 HIS 621 HE2 HIS 621 -10.389 -3.767 0.441 102 H VAL 622 HN VAL 622 -9.771 -0.549 -2.198 103 HA VAL 622 HA VAL 622 -11.350 1.631 -3.264 104 HB VAL 622 HB VAL 622 -11.603 -1.305 -3.911 105 HG11 VAL 622 HG11 VAL 622 -12.123 0.571 -6.044 106 HG12 VAL 622 HG12 VAL 622 -13.155 0.884 -4.649 107 HG13 VAL 622 HG13 VAL 622 -13.146 -0.712 -5.400 108 HG21 VAL 622 HG21 VAL 622 -9.482 0.575 -4.545 109 HG22 VAL 622 HG22 VAL 622 -10.232 -0.101 -5.991 110 HG23 VAL 622 HG23 VAL 622 -9.548 -1.173 -4.770 111 H GLU 623 HN GLU 623 -11.690 -0.836 -0.877 112 HA GLU 623 HA GLU 623 -14.513 -1.066 -0.900 113 HB2 GLU 623 HB2 GLU 623 -12.899 -2.680 0.160 114 HB3 GLU 623 HB1 GLU 623 -12.681 -1.513 1.456 115 HG2 GLU 623 HG2 GLU 623 -15.172 -1.635 1.821 116 HG3 GLU 623 HG1 GLU 623 -15.176 -3.012 0.720 117 H SER 624 HN SER 624 -12.283 1.075 0.804 118 HA SER 624 HA SER 624 -14.622 2.545 1.838 119 HB2 SER 624 HB2 SER 624 -13.422 1.574 3.692 120 HB3 SER 624 HB1 SER 624 -11.889 2.203 3.087 121 HG SER 624 HG SER 624 -13.729 3.410 4.640 122 H GLY 625 HN GLY 625 -11.652 2.724 0.065 123 HA2 GLY 625 HA2 GLY 625 -11.055 4.432 -1.412 124 HA3 GLY 625 HA1 GLY 625 -12.280 5.458 -0.683 125 H LYS 626 HN LYS 626 -10.339 3.981 1.659 126 HA LYS 626 HA LYS 626 -9.151 6.492 2.375 127 HB2 LYS 626 HB2 LYS 626 -9.960 4.737 4.005 128 HB3 LYS 626 HB1 LYS 626 -8.556 3.777 3.557 129 HG2 LYS 626 HG2 LYS 626 -7.805 4.828 5.449 130 HG3 LYS 626 HG1 LYS 626 -7.231 5.928 4.195 131 HD2 LYS 626 HD2 LYS 626 -8.200 7.434 5.617 132 HD3 LYS 626 HD1 LYS 626 -9.588 7.052 4.595 133 HE2 LYS 626 HE2 LYS 626 -10.329 5.393 6.246 134 HE3 LYS 626 HE1 LYS 626 -8.954 5.806 7.269 135 HZ1 LYS 626 HZ1 LYS 626 -9.915 7.713 7.943 136 HZ2 LYS 626 HZ2 LYS 626 -11.348 6.914 7.530 137 HZ3 LYS 626 HZ3 LYS 626 -10.655 8.018 6.451 138 H ILE 627 HN ILE 627 -6.962 7.027 2.415 139 HA ILE 627 HA ILE 627 -5.233 5.335 0.726 140 HB ILE 627 HB ILE 627 -5.001 8.330 0.965 141 HG12 ILE 627 HG12 ILE 627 -5.923 8.033 -1.528 142 HG13 ILE 627 HG11 ILE 627 -6.727 6.653 -0.788 143 HG21 ILE 627 HG21 ILE 627 -2.979 7.639 0.163 144 HG22 ILE 627 HG22 ILE 627 -3.867 7.784 -1.354 145 HG23 ILE 627 HG23 ILE 627 -3.650 6.201 -0.608 146 HD11 ILE 627 HD11 ILE 627 -7.889 8.039 0.735 147 HD12 ILE 627 HD12 ILE 627 -8.050 8.777 -0.858 148 HD13 ILE 627 HD13 ILE 627 -6.908 9.441 0.310 149 H LEU 628 HN LEU 628 -3.475 4.572 1.704 150 HA LEU 628 HA LEU 628 -2.688 5.691 4.278 151 HB2 LEU 628 HB2 LEU 628 -1.618 3.238 2.880 152 HB3 LEU 628 HB1 LEU 628 -1.329 3.704 4.544 153 HG LEU 628 HG LEU 628 -4.113 3.158 3.566 154 HD11 LEU 628 HD11 LEU 628 -3.917 0.864 4.183 155 HD12 LEU 628 HD12 LEU 628 -2.268 1.101 4.761 156 HD13 LEU 628 HD13 LEU 628 -2.624 1.220 3.039 157 HD21 LEU 628 HD21 LEU 628 -2.748 3.568 6.155 158 HD22 LEU 628 HD22 LEU 628 -4.020 2.347 6.114 159 HD23 LEU 628 HD23 LEU 628 -4.379 4.009 5.646 160 H THR 629 HN THR 629 -0.728 6.635 4.693 161 HA THR 629 HA THR 629 0.746 7.579 2.379 162 HB THR 629 HB THR 629 1.581 9.247 3.716 163 HG1 THR 629 HG1 THR 629 1.343 7.592 6.004 164 HG21 THR 629 HG21 THR 629 -0.159 10.199 4.724 165 HG22 THR 629 HG22 THR 629 -0.391 8.838 5.822 166 HG23 THR 629 HG23 THR 629 -1.059 8.778 4.191 167 H GLY 630 HN GLY 630 3.182 7.589 2.496 168 HA2 GLY 630 HA2 GLY 630 4.170 4.986 2.481 169 HA3 GLY 630 HA1 GLY 630 5.164 6.432 2.552 170 H THR 631 HN THR 631 3.646 7.053 5.182 171 HA THR 631 HA THR 631 5.639 5.981 6.897 172 HB THR 631 HB THR 631 3.048 7.243 7.777 173 HG1 THR 631 HG1 THR 631 4.021 9.220 7.480 174 HG21 THR 631 HG21 THR 631 4.829 8.299 9.399 175 HG22 THR 631 HG22 THR 631 5.701 6.812 9.026 176 HG23 THR 631 HG23 THR 631 4.087 6.734 9.731 177 H ASP 632 HN ASP 632 2.196 5.262 6.428 178 HA ASP 632 HA ASP 632 2.414 3.023 8.302 179 HB2 ASP 632 HB2 ASP 632 0.429 4.860 7.975 180 HB3 ASP 632 HB1 ASP 632 -0.182 3.526 7.000 181 H ALA 633 HN ALA 633 2.183 3.713 4.931 182 HA ALA 633 HA ALA 633 1.119 1.306 3.974 183 HB1 ALA 633 HB1 ALA 633 3.200 2.843 2.466 184 HB2 ALA 633 HB2 ALA 633 1.596 3.521 2.739 185 HB3 ALA 633 HB3 ALA 633 1.773 2.003 1.859 186 HA PRO 634 HA PRO 634 4.411 -1.600 4.466 187 HB2 PRO 634 HB2 PRO 634 4.028 -3.243 2.368 188 HB3 PRO 634 HB1 PRO 634 2.878 -3.158 3.710 189 HG2 PRO 634 HG2 PRO 634 2.744 -1.847 1.018 190 HG3 PRO 634 HG1 PRO 634 1.468 -2.696 1.910 191 HD2 PRO 634 HD2 PRO 634 1.683 0.012 1.862 192 HD3 PRO 634 HD1 PRO 634 1.017 -0.877 3.246 193 H LYS 635 HN LYS 635 6.376 -2.463 3.484 194 HA LYS 635 HA LYS 635 7.765 -0.479 1.967 195 HB2 LYS 635 HB2 LYS 635 8.506 -3.215 2.987 196 HB3 LYS 635 HB1 LYS 635 9.599 -2.280 1.975 197 HG2 LYS 635 HG2 LYS 635 9.092 -0.422 3.795 198 HG3 LYS 635 HG1 LYS 635 8.771 -1.847 4.786 199 HD2 LYS 635 HD2 LYS 635 10.946 -2.516 4.767 200 HD3 LYS 635 HD1 LYS 635 11.243 -1.868 3.153 201 HE2 LYS 635 HE2 LYS 635 12.472 -0.663 4.933 202 HE3 LYS 635 HE1 LYS 635 11.373 0.372 4.022 203 HZ1 LYS 635 HZ1 LYS 635 11.135 0.879 6.317 204 HZ2 LYS 635 HZ2 LYS 635 10.944 -0.748 6.735 205 HZ3 LYS 635 HZ3 LYS 635 9.741 0.043 5.849 206 H ALA 636 HN ALA 636 9.218 -1.376 0.071 207 HA ALA 636 HA ALA 636 7.504 -1.884 -2.090 208 HB1 ALA 636 HB1 ALA 636 9.345 -1.673 -3.419 209 HB2 ALA 636 HB2 ALA 636 10.375 -2.603 -2.331 210 HB3 ALA 636 HB3 ALA 636 9.968 -0.931 -1.946 211 H GLY 637 HN GLY 637 9.774 -4.052 -0.404 212 HA2 GLY 637 HA2 GLY 637 9.033 -6.333 -1.970 213 HA3 GLY 637 HA1 GLY 637 10.020 -6.343 -0.517 214 H GLN 638 HN GLN 638 8.072 -5.083 1.182 215 HA GLN 638 HA GLN 638 6.518 -7.423 1.820 216 HB2 GLN 638 HB2 GLN 638 7.676 -5.895 3.493 217 HB3 GLN 638 HB1 GLN 638 6.379 -4.745 3.194 218 HG2 GLN 638 HG2 GLN 638 5.356 -5.759 4.892 219 HG3 GLN 638 HG1 GLN 638 4.981 -7.018 3.716 220 HE21 GLN 638 HE21 GLN 638 7.060 -8.503 3.413 221 HE22 GLN 638 HE22 GLN 638 7.668 -9.144 4.898 222 H LEU 639 HN LEU 639 5.995 -4.706 -0.113 223 HA LEU 639 HA LEU 639 3.341 -4.041 0.356 224 HB2 LEU 639 HB2 LEU 639 4.698 -2.732 -1.133 225 HB3 LEU 639 HB1 LEU 639 4.906 -4.092 -2.219 226 HG LEU 639 HG LEU 639 2.296 -3.961 -2.430 227 HD11 LEU 639 HD11 LEU 639 1.884 -2.319 -0.733 228 HD12 LEU 639 HD12 LEU 639 1.523 -1.602 -2.303 229 HD13 LEU 639 HD13 LEU 639 3.026 -1.199 -1.474 230 HD21 LEU 639 HD21 LEU 639 4.440 -2.398 -3.752 231 HD22 LEU 639 HD22 LEU 639 2.770 -1.983 -4.135 232 HD23 LEU 639 HD23 LEU 639 3.356 -3.624 -4.410 233 H GLU 640 HN GLU 640 4.655 -6.545 -1.801 234 HA GLU 640 HA GLU 640 2.275 -7.440 -2.901 235 HB2 GLU 640 HB2 GLU 640 4.902 -8.762 -2.341 236 HB3 GLU 640 HB1 GLU 640 3.559 -9.722 -2.949 237 HG2 GLU 640 HG2 GLU 640 3.542 -8.659 -4.988 238 HG3 GLU 640 HG1 GLU 640 4.321 -7.208 -4.356 239 H ALA 641 HN ALA 641 3.888 -8.538 0.053 240 HA ALA 641 HA ALA 641 1.928 -10.469 0.733 241 HB1 ALA 641 HB1 ALA 641 3.965 -10.840 1.766 242 HB2 ALA 641 HB2 ALA 641 3.004 -10.154 3.075 243 HB3 ALA 641 HB3 ALA 641 4.164 -9.145 2.212 244 H TRP 642 HN TRP 642 2.369 -7.068 1.493 245 HA TRP 642 HA TRP 642 0.353 -6.896 3.472 246 HB2 TRP 642 HB2 TRP 642 2.201 -5.214 3.024 247 HB3 TRP 642 HB1 TRP 642 1.242 -4.653 1.658 248 HD1 TRP 642 HD1 TRP 642 1.513 -4.379 5.407 249 HE1 TRP 642 HE1 TRP 642 -0.285 -2.753 6.276 250 HE3 TRP 642 HE3 TRP 642 -1.236 -3.846 1.133 251 HZ2 TRP 642 HZ2 TRP 642 -2.564 -1.420 5.281 252 HZ3 TRP 642 HZ3 TRP 642 -3.209 -2.379 1.175 253 HH2 TRP 642 HH2 TRP 642 -3.859 -1.191 3.207 254 H LEU 643 HN LEU 643 0.351 -6.515 -0.030 255 HA LEU 643 HA LEU 643 -2.303 -5.556 -0.259 256 HB2 LEU 643 HB2 LEU 643 -0.277 -6.713 -2.102 257 HB3 LEU 643 HB1 LEU 643 -1.948 -6.744 -2.632 258 HG LEU 643 HG LEU 643 -0.642 -4.202 -1.698 259 HD11 LEU 643 HD11 LEU 643 -0.435 -3.769 -4.220 260 HD12 LEU 643 HD12 LEU 643 -0.510 -5.524 -4.384 261 HD13 LEU 643 HD13 LEU 643 0.784 -4.780 -3.444 262 HD21 LEU 643 HD21 LEU 643 -3.171 -4.980 -3.045 263 HD22 LEU 643 HD22 LEU 643 -2.425 -3.449 -3.505 264 HD23 LEU 643 HD23 LEU 643 -2.870 -3.743 -1.824 265 H GLU 644 HN GLU 644 -0.872 -8.797 -0.434 266 HA GLU 644 HA GLU 644 -3.212 -10.211 -1.045 267 HB2 GLU 644 HB2 GLU 644 -0.519 -10.831 -0.163 268 HB3 GLU 644 HB1 GLU 644 -1.694 -11.895 0.597 269 HG2 GLU 644 HG2 GLU 644 -2.604 -12.354 -1.699 270 HG3 GLU 644 HG1 GLU 644 -1.209 -11.488 -2.340 271 H MET 645 HN MET 645 -1.837 -9.177 2.034 272 HA MET 645 HA MET 645 -3.888 -10.461 3.595 273 HB2 MET 645 HB2 MET 645 -1.484 -9.953 4.332 274 HB3 MET 645 HB1 MET 645 -2.028 -8.297 4.559 275 HG2 MET 645 HG2 MET 645 -3.881 -10.011 5.850 276 HG3 MET 645 HG1 MET 645 -2.257 -10.502 6.324 277 HE1 MET 645 HE1 MET 645 -0.489 -8.121 6.454 278 HE2 MET 645 HE2 MET 645 -0.687 -9.120 7.893 279 HE3 MET 645 HE3 MET 645 -0.796 -7.365 8.017 280 H ASN 646 HN ASN 646 -3.513 -7.456 1.968 281 HA ASN 646 HA ASN 646 -6.047 -6.529 3.128 282 HB2 ASN 646 HB2 ASN 646 -3.734 -4.694 2.480 283 HB3 ASN 646 HB1 ASN 646 -5.254 -4.257 3.248 284 HD21 ASN 646 HD21 ASN 646 -2.105 -5.521 3.685 285 HD22 ASN 646 HD22 ASN 646 -2.174 -5.710 5.400 286 HA PRO 647 HA PRO 647 -5.987 -6.741 -1.589 287 HB2 PRO 647 HB2 PRO 647 -8.678 -7.849 -1.030 288 HB3 PRO 647 HB1 PRO 647 -7.435 -8.421 -2.146 289 HG2 PRO 647 HG2 PRO 647 -7.946 -9.721 0.128 290 HG3 PRO 647 HG1 PRO 647 -6.291 -9.569 -0.493 291 HD2 PRO 647 HD2 PRO 647 -7.633 -8.070 1.723 292 HD3 PRO 647 HD1 PRO 647 -5.970 -8.682 1.619 293 H GLY 648 HN GLY 648 -7.081 -5.365 -2.972 294 HA2 GLY 648 HA2 GLY 648 -8.934 -3.943 -3.530 295 HA3 GLY 648 HA1 GLY 648 -9.222 -3.714 -1.814 296 H TYR 649 HN TYR 649 -6.083 -3.446 -1.742 297 HA TYR 649 HA TYR 649 -6.153 -0.560 -1.927 298 HB2 TYR 649 HB2 TYR 649 -4.311 -2.583 -0.760 299 HB3 TYR 649 HB1 TYR 649 -3.622 -1.030 -1.217 300 HD1 TYR 649 HD1 TYR 649 -3.987 0.905 0.103 301 HD2 TYR 649 HD2 TYR 649 -6.168 -2.654 0.917 302 HE1 TYR 649 HE1 TYR 649 -4.761 1.878 2.225 303 HE2 TYR 649 HE2 TYR 649 -6.953 -1.693 3.041 304 HH TYR 649 HH TYR 649 -7.259 0.959 3.862 305 H GLU 650 HN GLU 650 -4.974 0.711 -3.304 306 HA GLU 650 HA GLU 650 -3.444 -0.647 -5.417 307 HB2 GLU 650 HB2 GLU 650 -5.659 1.356 -5.704 308 HB3 GLU 650 HB1 GLU 650 -4.393 1.262 -6.920 309 HG2 GLU 650 HG2 GLU 650 -5.337 -1.370 -6.378 310 HG3 GLU 650 HG1 GLU 650 -6.718 -0.316 -6.680 311 H VAL 651 HN VAL 651 -1.678 0.493 -6.237 312 HA VAL 651 HA VAL 651 -0.265 2.117 -4.492 313 HB VAL 651 HB VAL 651 0.056 2.121 -7.494 314 HG11 VAL 651 HG11 VAL 651 1.554 3.702 -6.901 315 HG12 VAL 651 HG12 VAL 651 2.544 2.304 -6.481 316 HG13 VAL 651 HG13 VAL 651 1.637 3.151 -5.228 317 HG21 VAL 651 HG21 VAL 651 1.857 0.385 -6.030 318 HG22 VAL 651 HG22 VAL 651 0.855 0.041 -7.441 319 HG23 VAL 651 HG23 VAL 651 0.172 -0.092 -5.820 320 H ALA 652 HN ALA 652 -0.454 4.172 -3.902 321 HA ALA 652 HA ALA 652 -2.432 5.887 -4.938 322 HB1 ALA 652 HB1 ALA 652 -1.318 5.895 -2.624 323 HB2 ALA 652 HB2 ALA 652 -1.729 7.446 -3.356 324 HB3 ALA 652 HB3 ALA 652 -0.063 6.870 -3.389 325 HA PRO 653 HA PRO 653 -0.006 7.208 -8.510 326 HB2 PRO 653 HB2 PRO 653 -1.968 8.681 -9.662 327 HB3 PRO 653 HB1 PRO 653 -1.908 6.918 -9.771 328 HG2 PRO 653 HG2 PRO 653 -3.530 8.649 -7.944 329 HG3 PRO 653 HG1 PRO 653 -4.021 7.200 -8.841 330 HD2 PRO 653 HD2 PRO 653 -3.397 7.141 -6.207 331 HD3 PRO 653 HD1 PRO 653 -3.089 5.771 -7.292 332 H ARG 654 HN ARG 654 0.803 9.225 -9.306 333 HA ARG 654 HA ARG 654 0.965 11.249 -7.235 334 HB2 ARG 654 HB2 ARG 654 2.366 10.966 -9.898 335 HB3 ARG 654 HB1 ARG 654 2.660 12.277 -8.763 336 HG2 ARG 654 HG2 ARG 654 4.237 11.009 -7.860 337 HG3 ARG 654 HG1 ARG 654 2.949 9.975 -7.240 338 HD2 ARG 654 HD2 ARG 654 3.941 8.348 -8.413 339 HD3 ARG 654 HD1 ARG 654 3.195 9.105 -9.820 340 HE ARG 654 HE ARG 654 5.756 10.214 -9.129 341 HH11 ARG 654 HH11 ARG 654 4.112 7.696 -10.901 342 HH12 ARG 654 HH12 ARG 654 5.415 7.458 -12.016 343 HH21 ARG 654 HH21 ARG 654 7.470 9.903 -10.596 344 HH22 ARG 654 HH22 ARG 654 7.322 8.710 -11.842 345 H SER 655 HN SER 655 -0.034 13.163 -7.246 346 HA SER 655 HA SER 655 -1.892 13.735 -9.404 347 HB2 SER 655 HB2 SER 655 -2.678 15.560 -7.877 348 HB3 SER 655 HB1 SER 655 -2.759 13.950 -7.162 349 HG SER 655 HG SER 655 -0.583 15.724 -6.778 350 H ASP 656 HN ASP 656 1.289 14.473 -8.775 351 HA ASP 656 HA ASP 656 2.760 15.980 -9.626 352 HB2 ASP 656 HB2 ASP 656 0.457 16.316 -11.536 353 HB3 ASP 656 HB1 ASP 656 1.930 17.265 -11.699 354 H SER 657 HN SER 657 3.193 18.328 -9.901 355 HA SER 657 HA SER 657 2.000 19.792 -7.775 356 HB2 SER 657 HB2 SER 657 4.397 19.937 -9.017 357 HB3 SER 657 HB1 SER 657 3.567 21.280 -9.803 358 HG SER 657 HG SER 657 4.547 22.047 -7.952 359 H GLU 658 HN GLU 658 2.089 20.435 -11.286 360 HA GLU 658 HA GLU 658 -0.174 22.252 -10.995 361 HB2 GLU 658 HB2 GLU 658 1.915 22.745 -12.398 362 HB3 GLU 658 HB1 GLU 658 1.266 21.594 -13.558 363 HG2 GLU 658 HG2 GLU 658 -0.660 23.615 -12.713 364 HG3 GLU 658 HG1 GLU 658 0.761 24.276 -13.520 Start of MODEL 13 1 H1 SER 610 HT1 SER 610 17.459 7.447 -3.297 2 H2 SER 610 HT2 SER 610 19.008 8.178 -3.195 3 H3 SER 610 HT3 SER 610 18.714 6.674 -2.423 4 HA SER 610 HA SER 610 18.439 7.047 -5.318 5 HB2 SER 610 HB2 SER 610 20.854 6.867 -3.628 6 HB3 SER 610 HB1 SER 610 20.817 5.748 -4.992 7 HG SER 610 HG SER 610 20.260 8.507 -5.277 8 H GLN 611 HN GLN 611 16.890 5.554 -3.308 9 HA GLN 611 HA GLN 611 17.136 2.934 -4.541 10 HB2 GLN 611 HB2 GLN 611 17.429 3.407 -1.578 11 HB3 GLN 611 HB1 GLN 611 16.935 1.853 -2.236 12 HG2 GLN 611 HG2 GLN 611 19.003 1.573 -3.359 13 HG3 GLN 611 HG1 GLN 611 19.477 3.240 -3.034 14 HE21 GLN 611 HE21 GLN 611 18.318 0.453 -1.158 15 HE22 GLN 611 HE22 GLN 611 19.517 0.572 0.079 16 H MET 612 HN MET 612 15.145 3.801 -5.470 17 HA MET 612 HA MET 612 12.877 4.496 -4.003 18 HB2 MET 612 HB2 MET 612 12.962 3.104 -6.684 19 HB3 MET 612 HB1 MET 612 11.608 4.017 -6.030 20 HG2 MET 612 HG2 MET 612 13.403 5.938 -5.913 21 HG3 MET 612 HG1 MET 612 14.173 4.976 -7.173 22 HE1 MET 612 HE1 MET 612 13.976 6.987 -8.945 23 HE2 MET 612 HE2 MET 612 12.702 6.625 -10.110 24 HE3 MET 612 HE3 MET 612 13.761 5.338 -9.533 25 H SER 613 HN SER 613 14.205 1.368 -4.800 26 HA SER 613 HA SER 613 11.964 -0.235 -4.315 27 HB2 SER 613 HB2 SER 613 13.858 -1.244 -5.352 28 HB3 SER 613 HB1 SER 613 14.920 -0.777 -4.024 29 HG SER 613 HG SER 613 14.399 -2.564 -3.076 30 H ASP 614 HN ASP 614 14.141 1.382 -2.136 31 HA ASP 614 HA ASP 614 13.141 -0.088 0.169 32 HB2 ASP 614 HB2 ASP 614 15.592 0.880 -0.317 33 HB3 ASP 614 HB1 ASP 614 14.911 2.276 0.514 34 H LEU 615 HN LEU 615 12.716 2.969 -1.433 35 HA LEU 615 HA LEU 615 11.609 4.477 0.642 36 HB2 LEU 615 HB2 LEU 615 10.860 4.573 -2.280 37 HB3 LEU 615 HB1 LEU 615 10.589 5.840 -1.098 38 HG LEU 615 HG LEU 615 13.276 4.879 -2.083 39 HD11 LEU 615 HD11 LEU 615 11.970 7.561 -2.468 40 HD12 LEU 615 HD12 LEU 615 11.884 6.259 -3.655 41 HD13 LEU 615 HD13 LEU 615 13.446 6.954 -3.219 42 HD21 LEU 615 HD21 LEU 615 13.258 5.573 0.302 43 HD22 LEU 615 HD22 LEU 615 12.652 7.150 -0.204 44 HD23 LEU 615 HD23 LEU 615 14.245 6.607 -0.730 45 HA PRO 616 HA PRO 616 7.660 2.623 1.314 46 HB2 PRO 616 HB2 PRO 616 6.259 4.711 2.282 47 HB3 PRO 616 HB1 PRO 616 7.576 3.962 3.193 48 HG2 PRO 616 HG2 PRO 616 7.592 6.466 1.553 49 HG3 PRO 616 HG1 PRO 616 8.318 6.165 3.142 50 HD2 PRO 616 HD2 PRO 616 9.736 6.118 0.810 51 HD3 PRO 616 HD1 PRO 616 10.176 5.163 2.240 52 H VAL 617 HN VAL 617 5.739 2.269 0.290 53 HA VAL 617 HA VAL 617 5.027 4.126 -1.888 54 HB VAL 617 HB VAL 617 4.521 1.150 -1.872 55 HG11 VAL 617 HG11 VAL 617 3.019 1.882 -3.401 56 HG12 VAL 617 HG12 VAL 617 4.438 1.871 -4.448 57 HG13 VAL 617 HG13 VAL 617 3.897 3.380 -3.712 58 HG21 VAL 617 HG21 VAL 617 6.971 1.879 -1.935 59 HG22 VAL 617 HG22 VAL 617 6.604 2.543 -3.526 60 HG23 VAL 617 HG23 VAL 617 6.407 0.817 -3.224 61 H LYS 618 HN LYS 618 3.198 5.166 -1.473 62 HA LYS 618 HA LYS 618 1.374 4.416 0.548 63 HB2 LYS 618 HB2 LYS 618 0.856 6.292 -1.762 64 HB3 LYS 618 HB1 LYS 618 0.010 6.255 -0.223 65 HG2 LYS 618 HG2 LYS 618 1.408 7.857 0.416 66 HG3 LYS 618 HG1 LYS 618 2.631 6.590 0.526 67 HD2 LYS 618 HD2 LYS 618 3.724 8.046 -0.847 68 HD3 LYS 618 HD1 LYS 618 2.864 7.094 -2.060 69 HE2 LYS 618 HE2 LYS 618 1.059 8.790 -2.042 70 HE3 LYS 618 HE1 LYS 618 2.018 9.757 -0.922 71 HZ1 LYS 618 HZ1 LYS 618 2.890 8.961 -3.647 72 HZ2 LYS 618 HZ2 LYS 618 3.728 9.972 -2.582 73 HZ3 LYS 618 HZ3 LYS 618 2.254 10.474 -3.240 74 H VAL 619 HN VAL 619 -1.087 4.358 -0.064 75 HA VAL 619 HA VAL 619 -1.699 2.901 -2.470 76 HB VAL 619 HB VAL 619 -2.708 0.963 -1.205 77 HG11 VAL 619 HG11 VAL 619 0.287 1.123 -0.952 78 HG12 VAL 619 HG12 VAL 619 -0.545 0.918 -2.494 79 HG13 VAL 619 HG13 VAL 619 -0.707 -0.307 -1.236 80 HG21 VAL 619 HG21 VAL 619 -1.917 0.461 1.005 81 HG22 VAL 619 HG22 VAL 619 -2.619 2.079 1.020 82 HG23 VAL 619 HG23 VAL 619 -0.868 1.878 1.001 83 H ILE 620 HN ILE 620 -3.988 2.526 -2.740 84 HA ILE 620 HA ILE 620 -5.657 4.170 -0.954 85 HB ILE 620 HB ILE 620 -5.330 5.371 -3.040 86 HG12 ILE 620 HG12 ILE 620 -7.660 5.685 -3.690 87 HG13 ILE 620 HG11 ILE 620 -8.094 4.138 -2.969 88 HG21 ILE 620 HG21 ILE 620 -6.476 2.945 -4.414 89 HG22 ILE 620 HG22 ILE 620 -4.780 3.428 -4.440 90 HG23 ILE 620 HG23 ILE 620 -6.002 4.460 -5.183 91 HD11 ILE 620 HD11 ILE 620 -8.422 5.103 -1.011 92 HD12 ILE 620 HD12 ILE 620 -8.116 6.665 -1.770 93 HD13 ILE 620 HD13 ILE 620 -6.792 5.774 -1.021 94 H HIS 621 HN HIS 621 -7.365 3.160 -0.120 95 HA HIS 621 HA HIS 621 -7.976 0.457 -1.005 96 HB2 HIS 621 HB2 HIS 621 -7.739 1.297 1.454 97 HB3 HIS 621 HB1 HIS 621 -9.389 1.862 1.237 98 HD1 HIS 621 HD1 HIS 621 -9.211 -0.147 3.333 99 HD2 HIS 621 HD2 HIS 621 -9.482 -1.258 -0.662 100 HE1 HIS 621 HE1 HIS 621 -10.077 -2.507 3.350 101 HE2 HIS 621 HE2 HIS 621 -10.147 -3.189 0.924 102 H VAL 622 HN VAL 622 -9.678 -0.063 -2.235 103 HA VAL 622 HA VAL 622 -11.496 2.046 -3.071 104 HB VAL 622 HB VAL 622 -11.444 -0.825 -4.004 105 HG11 VAL 622 HG11 VAL 622 -12.366 0.467 -6.096 106 HG12 VAL 622 HG12 VAL 622 -12.836 1.658 -4.884 107 HG13 VAL 622 HG13 VAL 622 -13.438 0.004 -4.775 108 HG21 VAL 622 HG21 VAL 622 -10.292 0.534 -6.020 109 HG22 VAL 622 HG22 VAL 622 -9.382 -0.276 -4.746 110 HG23 VAL 622 HG23 VAL 622 -9.689 1.458 -4.645 111 H GLU 623 HN GLU 623 -11.584 -1.022 -1.343 112 HA GLU 623 HA GLU 623 -14.405 -1.192 -1.133 113 HB2 GLU 623 HB2 GLU 623 -12.552 -2.997 -0.752 114 HB3 GLU 623 HB1 GLU 623 -12.566 -2.398 0.901 115 HG2 GLU 623 HG2 GLU 623 -14.180 -3.884 1.248 116 HG3 GLU 623 HG1 GLU 623 -15.228 -2.757 0.387 117 H SER 624 HN SER 624 -11.947 0.427 0.757 118 HA SER 624 HA SER 624 -14.023 1.276 2.668 119 HB2 SER 624 HB2 SER 624 -12.025 0.009 3.570 120 HB3 SER 624 HB1 SER 624 -11.038 1.399 3.115 121 HG SER 624 HG SER 624 -11.997 1.243 5.359 122 H GLY 625 HN GLY 625 -11.743 2.355 0.298 123 HA2 GLY 625 HA2 GLY 625 -11.637 4.437 -0.722 124 HA3 GLY 625 HA1 GLY 625 -12.841 5.017 0.417 125 H LYS 626 HN LYS 626 -10.474 3.568 2.212 126 HA LYS 626 HA LYS 626 -9.466 6.089 3.133 127 HB2 LYS 626 HB2 LYS 626 -9.611 3.415 4.118 128 HB3 LYS 626 HB1 LYS 626 -7.931 3.929 4.183 129 HG2 LYS 626 HG2 LYS 626 -8.767 6.021 5.350 130 HG3 LYS 626 HG1 LYS 626 -10.311 5.182 5.515 131 HD2 LYS 626 HD2 LYS 626 -9.429 4.441 7.449 132 HD3 LYS 626 HD1 LYS 626 -8.595 3.283 6.410 133 HE2 LYS 626 HE2 LYS 626 -6.589 4.268 6.705 134 HE3 LYS 626 HE1 LYS 626 -7.272 5.894 6.698 135 HZ1 LYS 626 HZ1 LYS 626 -7.909 4.253 9.010 136 HZ2 LYS 626 HZ2 LYS 626 -7.517 5.896 8.922 137 HZ3 LYS 626 HZ3 LYS 626 -6.292 4.731 8.871 138 H ILE 627 HN ILE 627 -7.201 6.650 3.264 139 HA ILE 627 HA ILE 627 -5.574 5.481 1.102 140 HB ILE 627 HB ILE 627 -5.520 8.399 1.850 141 HG12 ILE 627 HG12 ILE 627 -6.650 7.875 -0.758 142 HG13 ILE 627 HG11 ILE 627 -7.598 7.072 0.488 143 HG21 ILE 627 HG21 ILE 627 -4.435 8.563 -0.409 144 HG22 ILE 627 HG22 ILE 627 -4.368 6.801 -0.425 145 HG23 ILE 627 HG23 ILE 627 -3.500 7.705 0.815 146 HD11 ILE 627 HD11 ILE 627 -8.301 9.408 -0.145 147 HD12 ILE 627 HD12 ILE 627 -6.836 9.967 0.662 148 HD13 ILE 627 HD13 ILE 627 -8.070 9.100 1.575 149 H LEU 628 HN LEU 628 -3.665 4.730 1.775 150 HA LEU 628 HA LEU 628 -2.679 5.601 4.397 151 HB2 LEU 628 HB2 LEU 628 -1.818 3.201 2.781 152 HB3 LEU 628 HB1 LEU 628 -1.351 3.576 4.428 153 HG LEU 628 HG LEU 628 -4.223 3.101 3.673 154 HD11 LEU 628 HD11 LEU 628 -2.325 1.021 4.736 155 HD12 LEU 628 HD12 LEU 628 -2.767 1.160 3.035 156 HD13 LEU 628 HD13 LEU 628 -4.004 0.804 4.240 157 HD21 LEU 628 HD21 LEU 628 -3.220 4.147 5.920 158 HD22 LEU 628 HD22 LEU 628 -3.084 2.435 6.319 159 HD23 LEU 628 HD23 LEU 628 -4.654 3.120 5.896 160 H THR 629 HN THR 629 -0.856 6.753 4.591 161 HA THR 629 HA THR 629 0.547 7.539 2.177 162 HB THR 629 HB THR 629 1.341 9.347 3.345 163 HG1 THR 629 HG1 THR 629 1.229 7.844 5.746 164 HG21 THR 629 HG21 THR 629 -0.409 10.325 4.316 165 HG22 THR 629 HG22 THR 629 -0.588 9.040 5.513 166 HG23 THR 629 HG23 THR 629 -1.269 8.843 3.897 167 H GLY 630 HN GLY 630 2.991 7.636 2.260 168 HA2 GLY 630 HA2 GLY 630 4.092 5.114 2.363 169 HA3 GLY 630 HA1 GLY 630 5.030 6.595 2.472 170 H THR 631 HN THR 631 3.479 7.245 5.018 171 HA THR 631 HA THR 631 5.391 6.211 6.821 172 HB THR 631 HB THR 631 4.286 7.471 8.476 173 HG1 THR 631 HG1 THR 631 2.128 8.165 8.217 174 HG21 THR 631 HG21 THR 631 4.697 8.656 5.949 175 HG22 THR 631 HG22 THR 631 4.739 9.414 7.541 176 HG23 THR 631 HG23 THR 631 3.226 9.344 6.638 177 H ASP 632 HN ASP 632 1.975 5.419 6.241 178 HA ASP 632 HA ASP 632 2.170 3.219 8.165 179 HB2 ASP 632 HB2 ASP 632 -0.175 4.516 6.780 180 HB3 ASP 632 HB1 ASP 632 -0.328 3.037 7.724 181 H ALA 633 HN ALA 633 2.002 3.831 4.770 182 HA ALA 633 HA ALA 633 1.014 1.382 3.847 183 HB1 ALA 633 HB1 ALA 633 1.482 3.589 2.578 184 HB2 ALA 633 HB2 ALA 633 1.677 2.054 1.732 185 HB3 ALA 633 HB3 ALA 633 3.093 2.913 2.336 186 HA PRO 634 HA PRO 634 4.367 -1.423 4.491 187 HB2 PRO 634 HB2 PRO 634 4.005 -3.178 2.485 188 HB3 PRO 634 HB1 PRO 634 2.857 -3.043 3.823 189 HG2 PRO 634 HG2 PRO 634 2.692 -1.881 1.067 190 HG3 PRO 634 HG1 PRO 634 1.434 -2.700 2.009 191 HD2 PRO 634 HD2 PRO 634 1.615 0.008 1.810 192 HD3 PRO 634 HD1 PRO 634 0.951 -0.816 3.236 193 H LYS 635 HN LYS 635 6.361 -2.243 3.591 194 HA LYS 635 HA LYS 635 7.596 -0.357 1.788 195 HB2 LYS 635 HB2 LYS 635 8.715 -2.809 3.161 196 HB3 LYS 635 HB1 LYS 635 9.662 -1.643 2.246 197 HG2 LYS 635 HG2 LYS 635 9.085 0.102 3.835 198 HG3 LYS 635 HG1 LYS 635 8.086 -1.037 4.739 199 HD2 LYS 635 HD2 LYS 635 9.917 -2.213 5.532 200 HD3 LYS 635 HD1 LYS 635 10.966 -1.656 4.226 201 HE2 LYS 635 HE2 LYS 635 9.945 -0.022 6.546 202 HE3 LYS 635 HE1 LYS 635 11.597 -0.587 6.303 203 HZ1 LYS 635 HZ1 LYS 635 10.205 1.647 5.086 204 HZ2 LYS 635 HZ2 LYS 635 11.176 0.746 4.034 205 HZ3 LYS 635 HZ3 LYS 635 11.852 1.447 5.417 206 H ALA 636 HN ALA 636 8.841 -1.050 -0.102 207 HA ALA 636 HA ALA 636 7.340 -2.438 -1.964 208 HB1 ALA 636 HB1 ALA 636 10.250 -2.555 -2.384 209 HB2 ALA 636 HB2 ALA 636 9.589 -0.948 -2.079 210 HB3 ALA 636 HB3 ALA 636 8.975 -1.913 -3.421 211 H GLY 637 HN GLY 637 9.560 -3.670 0.413 212 HA2 GLY 637 HA2 GLY 637 9.957 -6.223 -0.815 213 HA3 GLY 637 HA1 GLY 637 10.357 -5.790 0.837 214 H GLN 638 HN GLN 638 7.685 -4.994 1.602 215 HA GLN 638 HA GLN 638 6.439 -7.664 1.669 216 HB2 GLN 638 HB2 GLN 638 6.257 -5.427 3.692 217 HB3 GLN 638 HB1 GLN 638 5.452 -6.984 3.821 218 HG2 GLN 638 HG2 GLN 638 8.318 -7.221 3.389 219 HG3 GLN 638 HG1 GLN 638 7.908 -6.335 4.858 220 HE21 GLN 638 HE21 GLN 638 6.523 -9.131 3.160 221 HE22 GLN 638 HE22 GLN 638 6.513 -10.177 4.535 222 H LEU 639 HN LEU 639 6.052 -5.065 -0.083 223 HA LEU 639 HA LEU 639 3.439 -4.149 0.372 224 HB2 LEU 639 HB2 LEU 639 4.960 -2.926 -1.043 225 HB3 LEU 639 HB1 LEU 639 5.073 -4.273 -2.159 226 HG LEU 639 HG LEU 639 2.484 -3.901 -2.413 227 HD11 LEU 639 HD11 LEU 639 2.052 -1.397 -2.314 228 HD12 LEU 639 HD12 LEU 639 3.467 -1.307 -1.264 229 HD13 LEU 639 HD13 LEU 639 2.069 -2.268 -0.781 230 HD21 LEU 639 HD21 LEU 639 3.170 -1.961 -4.083 231 HD22 LEU 639 HD22 LEU 639 3.619 -3.642 -4.366 232 HD23 LEU 639 HD23 LEU 639 4.790 -2.521 -3.670 233 H GLU 640 HN GLU 640 4.625 -6.609 -1.919 234 HA GLU 640 HA GLU 640 2.206 -7.339 -3.036 235 HB2 GLU 640 HB2 GLU 640 4.857 -8.554 -2.761 236 HB3 GLU 640 HB1 GLU 640 3.561 -9.730 -2.923 237 HG2 GLU 640 HG2 GLU 640 2.905 -7.998 -4.886 238 HG3 GLU 640 HG1 GLU 640 4.661 -7.841 -4.882 239 H ALA 641 HN ALA 641 3.708 -8.508 -0.064 240 HA ALA 641 HA ALA 641 1.718 -10.458 0.502 241 HB1 ALA 641 HB1 ALA 641 4.168 -10.088 1.453 242 HB2 ALA 641 HB2 ALA 641 2.927 -10.941 2.370 243 HB3 ALA 641 HB3 ALA 641 3.274 -9.248 2.720 244 H TRP 642 HN TRP 642 2.195 -7.094 1.420 245 HA TRP 642 HA TRP 642 0.121 -6.945 3.325 246 HB2 TRP 642 HB2 TRP 642 1.986 -5.270 2.983 247 HB3 TRP 642 HB1 TRP 642 1.094 -4.677 1.586 248 HD1 TRP 642 HD1 TRP 642 1.257 -4.398 5.325 249 HE1 TRP 642 HE1 TRP 642 -0.571 -2.785 6.153 250 HE3 TRP 642 HE3 TRP 642 -1.421 -3.917 0.999 251 HZ2 TRP 642 HZ2 TRP 642 -2.848 -1.482 5.109 252 HZ3 TRP 642 HZ3 TRP 642 -3.411 -2.469 0.997 253 HH2 TRP 642 HH2 TRP 642 -4.108 -1.279 3.011 254 H LEU 643 HN LEU 643 0.206 -6.181 -0.142 255 HA LEU 643 HA LEU 643 -2.475 -5.335 -0.340 256 HB2 LEU 643 HB2 LEU 643 -0.374 -6.221 -2.252 257 HB3 LEU 643 HB1 LEU 643 -2.032 -6.205 -2.822 258 HG LEU 643 HG LEU 643 -0.487 -3.844 -1.751 259 HD11 LEU 643 HD11 LEU 643 -0.138 -3.193 -3.881 260 HD12 LEU 643 HD12 LEU 643 -1.672 -3.851 -4.448 261 HD13 LEU 643 HD13 LEU 643 -0.291 -4.920 -4.206 262 HD21 LEU 643 HD21 LEU 643 -2.692 -2.764 -2.815 263 HD22 LEU 643 HD22 LEU 643 -2.560 -3.196 -1.110 264 HD23 LEU 643 HD23 LEU 643 -3.369 -4.286 -2.237 265 H GLU 644 HN GLU 644 -0.935 -8.493 -0.709 266 HA GLU 644 HA GLU 644 -3.164 -9.912 -1.647 267 HB2 GLU 644 HB2 GLU 644 -0.755 -10.703 -1.552 268 HB3 GLU 644 HB1 GLU 644 -1.019 -11.036 0.155 269 HG2 GLU 644 HG2 GLU 644 -2.192 -12.898 -0.255 270 HG3 GLU 644 HG1 GLU 644 -3.023 -12.195 -1.642 271 H MET 645 HN MET 645 -2.072 -9.178 1.634 272 HA MET 645 HA MET 645 -4.184 -10.684 2.873 273 HB2 MET 645 HB2 MET 645 -1.823 -10.031 3.808 274 HB3 MET 645 HB1 MET 645 -2.637 -8.551 4.298 275 HG2 MET 645 HG2 MET 645 -4.379 -10.299 5.279 276 HG3 MET 645 HG1 MET 645 -2.938 -11.314 5.312 277 HE1 MET 645 HE1 MET 645 -2.056 -10.747 8.726 278 HE2 MET 645 HE2 MET 645 -2.670 -11.791 7.444 279 HE3 MET 645 HE3 MET 645 -3.795 -10.890 8.463 280 H ASN 646 HN ASN 646 -3.605 -7.327 2.018 281 HA ASN 646 HA ASN 646 -6.275 -6.631 3.046 282 HB2 ASN 646 HB2 ASN 646 -4.039 -4.727 2.329 283 HB3 ASN 646 HB1 ASN 646 -5.538 -4.339 3.163 284 HD21 ASN 646 HD21 ASN 646 -2.353 -5.584 3.449 285 HD22 ASN 646 HD22 ASN 646 -2.346 -5.781 5.165 286 HA PRO 647 HA PRO 647 -6.737 -6.671 -1.559 287 HB2 PRO 647 HB2 PRO 647 -9.309 -7.557 -1.520 288 HB3 PRO 647 HB1 PRO 647 -7.913 -8.640 -1.477 289 HG2 PRO 647 HG2 PRO 647 -9.633 -7.676 0.776 290 HG3 PRO 647 HG1 PRO 647 -9.002 -9.305 0.468 291 HD2 PRO 647 HD2 PRO 647 -7.868 -7.631 2.262 292 HD3 PRO 647 HD1 PRO 647 -6.916 -8.795 1.317 293 H GLY 648 HN GLY 648 -7.771 -5.178 -2.844 294 HA2 GLY 648 HA2 GLY 648 -9.528 -3.598 -3.278 295 HA3 GLY 648 HA1 GLY 648 -9.696 -3.370 -1.544 296 H TYR 649 HN TYR 649 -6.553 -3.371 -1.638 297 HA TYR 649 HA TYR 649 -6.381 -0.482 -1.863 298 HB2 TYR 649 HB2 TYR 649 -4.696 -2.630 -0.670 299 HB3 TYR 649 HB1 TYR 649 -3.907 -1.128 -1.139 300 HD1 TYR 649 HD1 TYR 649 -6.526 -2.581 1.025 301 HD2 TYR 649 HD2 TYR 649 -4.160 0.844 0.161 302 HE1 TYR 649 HE1 TYR 649 -7.234 -1.563 3.150 303 HE2 TYR 649 HE2 TYR 649 -4.858 1.875 2.283 304 HH TYR 649 HH TYR 649 -6.769 1.693 3.874 305 H GLU 650 HN GLU 650 -4.886 0.619 -3.171 306 HA GLU 650 HA GLU 650 -3.591 -0.945 -5.291 307 HB2 GLU 650 HB2 GLU 650 -5.264 1.531 -5.759 308 HB3 GLU 650 HB1 GLU 650 -4.339 0.675 -6.983 309 HG2 GLU 650 HG2 GLU 650 -5.889 -0.927 -7.222 310 HG3 GLU 650 HG1 GLU 650 -6.252 -0.980 -5.498 311 H VAL 651 HN VAL 651 -1.699 -0.047 -6.118 312 HA VAL 651 HA VAL 651 -0.149 1.502 -4.390 313 HB VAL 651 HB VAL 651 0.310 1.244 -7.362 314 HG11 VAL 651 HG11 VAL 651 2.411 1.985 -7.013 315 HG12 VAL 651 HG12 VAL 651 2.538 1.209 -5.434 316 HG13 VAL 651 HG13 VAL 651 1.684 2.744 -5.597 317 HG21 VAL 651 HG21 VAL 651 0.777 -0.702 -5.130 318 HG22 VAL 651 HG22 VAL 651 1.764 -0.730 -6.590 319 HG23 VAL 651 HG23 VAL 651 0.021 -0.974 -6.700 320 H ALA 652 HN ALA 652 0.033 3.626 -4.046 321 HA ALA 652 HA ALA 652 -1.653 5.449 -5.506 322 HB1 ALA 652 HB1 ALA 652 -1.484 6.775 -3.707 323 HB2 ALA 652 HB2 ALA 652 0.272 6.621 -3.638 324 HB3 ALA 652 HB3 ALA 652 -0.751 5.369 -2.933 325 HA PRO 653 HA PRO 653 1.166 6.829 -8.618 326 HB2 PRO 653 HB2 PRO 653 0.158 9.552 -7.962 327 HB3 PRO 653 HB1 PRO 653 0.231 8.724 -9.521 328 HG2 PRO 653 HG2 PRO 653 -2.085 8.997 -8.238 329 HG3 PRO 653 HG1 PRO 653 -1.699 7.505 -9.115 330 HD2 PRO 653 HD2 PRO 653 -1.674 8.038 -6.178 331 HD3 PRO 653 HD1 PRO 653 -2.142 6.568 -7.055 332 H ARG 654 HN ARG 654 3.080 8.090 -8.905 333 HA ARG 654 HA ARG 654 5.079 8.948 -8.243 334 HB2 ARG 654 HB2 ARG 654 3.084 10.404 -6.600 335 HB3 ARG 654 HB1 ARG 654 4.759 10.513 -6.077 336 HG2 ARG 654 HG2 ARG 654 4.337 10.958 -8.945 337 HG3 ARG 654 HG1 ARG 654 3.595 12.157 -7.885 338 HD2 ARG 654 HD2 ARG 654 5.607 13.135 -7.872 339 HD3 ARG 654 HD1 ARG 654 6.075 11.843 -6.768 340 HE ARG 654 HE ARG 654 6.505 10.771 -9.223 341 HH11 ARG 654 HH11 ARG 654 7.537 13.720 -7.667 342 HH12 ARG 654 HH12 ARG 654 9.029 13.806 -8.539 343 HH21 ARG 654 HH21 ARG 654 8.469 10.883 -10.371 344 HH22 ARG 654 HH22 ARG 654 9.559 12.196 -10.076 345 H SER 655 HN SER 655 6.562 9.207 -6.212 346 HA SER 655 HA SER 655 6.231 6.760 -4.610 347 HB2 SER 655 HB2 SER 655 8.771 8.252 -5.308 348 HB3 SER 655 HB1 SER 655 8.677 6.763 -4.370 349 HG SER 655 HG SER 655 7.901 7.108 -7.078 350 H ASP 656 HN ASP 656 6.855 10.194 -4.491 351 HA ASP 656 HA ASP 656 6.277 10.181 -1.640 352 HB2 ASP 656 HB2 ASP 656 8.936 10.442 -2.626 353 HB3 ASP 656 HB1 ASP 656 8.441 12.014 -2.003 354 H SER 657 HN SER 657 6.641 12.744 -0.971 355 HA SER 657 HA SER 657 5.336 14.364 -3.040 356 HB2 SER 657 HB2 SER 657 4.339 13.858 -0.243 357 HB3 SER 657 HB1 SER 657 3.893 15.319 -1.125 358 HG SER 657 HG SER 657 3.052 13.957 -2.771 359 H GLU 658 HN GLU 658 6.795 14.392 0.204 360 HA GLU 658 HA GLU 658 8.483 16.612 -0.552 361 HB2 GLU 658 HB2 GLU 658 6.172 16.911 1.299 362 HB3 GLU 658 HB1 GLU 658 7.667 17.729 1.730 363 HG2 GLU 658 HG2 GLU 658 7.595 18.653 -0.673 364 HG3 GLU 658 HG1 GLU 658 5.904 18.155 -0.647 Start of MODEL 14 1 H1 SER 610 HT1 SER 610 16.123 6.837 -2.094 2 H2 SER 610 HT2 SER 610 16.989 7.168 -0.649 3 H3 SER 610 HT3 SER 610 15.768 5.962 -0.665 4 HA SER 610 HA SER 610 18.186 5.844 -2.326 5 HB2 SER 610 HB2 SER 610 17.654 4.928 0.495 6 HB3 SER 610 HB1 SER 610 18.855 4.124 -0.515 7 HG SER 610 HG SER 610 19.570 5.945 0.880 8 H GLN 611 HN GLN 611 17.237 4.814 -4.032 9 HA GLN 611 HA GLN 611 16.382 3.095 -5.250 10 HB2 GLN 611 HB2 GLN 611 17.368 1.797 -2.790 11 HB3 GLN 611 HB1 GLN 611 16.179 0.873 -3.697 12 HG2 GLN 611 HG2 GLN 611 17.710 1.442 -5.729 13 HG3 GLN 611 HG1 GLN 611 18.926 1.714 -4.481 14 HE21 GLN 611 HE21 GLN 611 19.840 0.004 -3.475 15 HE22 GLN 611 HE22 GLN 611 19.488 -1.645 -3.851 16 H MET 612 HN MET 612 14.341 2.805 -5.862 17 HA MET 612 HA MET 612 12.158 3.614 -4.324 18 HB2 MET 612 HB2 MET 612 12.421 3.235 -6.905 19 HB3 MET 612 HB1 MET 612 11.820 1.623 -6.537 20 HG2 MET 612 HG2 MET 612 9.793 2.534 -5.622 21 HG3 MET 612 HG1 MET 612 10.404 4.177 -5.813 22 HE1 MET 612 HE1 MET 612 10.168 4.963 -9.473 23 HE2 MET 612 HE2 MET 612 11.648 4.176 -8.923 24 HE3 MET 612 HE3 MET 612 10.831 5.345 -7.884 25 H SER 613 HN SER 613 13.699 0.501 -4.640 26 HA SER 613 HA SER 613 11.633 -1.097 -3.579 27 HB2 SER 613 HB2 SER 613 13.670 -2.609 -2.948 28 HB3 SER 613 HB1 SER 613 13.297 -2.326 -4.648 29 HG SER 613 HG SER 613 15.528 -2.036 -4.159 30 H ASP 614 HN ASP 614 13.915 1.043 -2.102 31 HA ASP 614 HA ASP 614 13.414 -0.058 0.556 32 HB2 ASP 614 HB2 ASP 614 15.697 0.886 -0.473 33 HB3 ASP 614 HB1 ASP 614 15.064 2.388 0.195 34 H LEU 615 HN LEU 615 12.560 2.644 -1.462 35 HA LEU 615 HA LEU 615 11.566 4.310 0.633 36 HB2 LEU 615 HB2 LEU 615 10.916 4.347 -2.314 37 HB3 LEU 615 HB1 LEU 615 10.559 5.625 -1.170 38 HG LEU 615 HG LEU 615 13.334 4.708 -1.923 39 HD11 LEU 615 HD11 LEU 615 12.818 5.842 -3.806 40 HD12 LEU 615 HD12 LEU 615 13.185 7.238 -2.791 41 HD13 LEU 615 HD13 LEU 615 11.510 6.743 -3.038 42 HD21 LEU 615 HD21 LEU 615 12.260 6.574 0.098 43 HD22 LEU 615 HD22 LEU 615 13.659 7.127 -0.822 44 HD23 LEU 615 HD23 LEU 615 13.748 5.627 0.101 45 HA PRO 616 HA PRO 616 7.587 2.490 1.228 46 HB2 PRO 616 HB2 PRO 616 6.196 4.581 2.180 47 HB3 PRO 616 HB1 PRO 616 7.512 3.844 3.101 48 HG2 PRO 616 HG2 PRO 616 7.525 6.335 1.440 49 HG3 PRO 616 HG1 PRO 616 8.249 6.049 3.033 50 HD2 PRO 616 HD2 PRO 616 9.660 5.979 0.688 51 HD3 PRO 616 HD1 PRO 616 10.118 5.065 2.138 52 H VAL 617 HN VAL 617 5.649 2.177 0.207 53 HA VAL 617 HA VAL 617 5.003 4.018 -2.005 54 HB VAL 617 HB VAL 617 4.406 1.059 -1.949 55 HG11 VAL 617 HG11 VAL 617 2.944 2.482 -3.352 56 HG12 VAL 617 HG12 VAL 617 3.896 1.331 -4.290 57 HG13 VAL 617 HG13 VAL 617 4.371 3.028 -4.233 58 HG21 VAL 617 HG21 VAL 617 6.254 1.250 -3.865 59 HG22 VAL 617 HG22 VAL 617 6.661 0.906 -2.183 60 HG23 VAL 617 HG23 VAL 617 6.819 2.546 -2.811 61 H LYS 618 HN LYS 618 3.141 5.056 -1.745 62 HA LYS 618 HA LYS 618 1.332 4.545 0.340 63 HB2 LYS 618 HB2 LYS 618 1.098 6.164 -2.189 64 HB3 LYS 618 HB1 LYS 618 -0.212 6.065 -1.021 65 HG2 LYS 618 HG2 LYS 618 0.772 7.921 -0.218 66 HG3 LYS 618 HG1 LYS 618 1.779 6.742 0.625 67 HD2 LYS 618 HD2 LYS 618 3.544 7.693 -0.339 68 HD3 LYS 618 HD1 LYS 618 2.968 7.035 -1.874 69 HE2 LYS 618 HE2 LYS 618 2.210 9.036 -2.597 70 HE3 LYS 618 HE1 LYS 618 1.681 9.534 -0.990 71 HZ1 LYS 618 HZ1 LYS 618 3.509 10.898 -1.772 72 HZ2 LYS 618 HZ2 LYS 618 4.487 9.532 -1.969 73 HZ3 LYS 618 HZ3 LYS 618 3.988 9.999 -0.421 74 H VAL 619 HN VAL 619 -1.067 4.213 -0.066 75 HA VAL 619 HA VAL 619 -1.749 2.507 -2.282 76 HB VAL 619 HB VAL 619 -2.462 0.597 -0.946 77 HG11 VAL 619 HG11 VAL 619 -0.156 0.749 -1.932 78 HG12 VAL 619 HG12 VAL 619 -0.338 -0.386 -0.595 79 HG13 VAL 619 HG13 VAL 619 0.420 1.183 -0.323 80 HG21 VAL 619 HG21 VAL 619 -2.849 1.834 1.165 81 HG22 VAL 619 HG22 VAL 619 -1.103 1.948 1.385 82 HG23 VAL 619 HG23 VAL 619 -1.893 0.370 1.391 83 H ILE 620 HN ILE 620 -3.957 2.398 -2.639 84 HA ILE 620 HA ILE 620 -5.644 3.852 -0.710 85 HB ILE 620 HB ILE 620 -5.298 5.309 -2.579 86 HG12 ILE 620 HG12 ILE 620 -7.693 4.830 -1.615 87 HG13 ILE 620 HG11 ILE 620 -7.498 5.868 -3.021 88 HG21 ILE 620 HG21 ILE 620 -5.613 2.838 -4.141 89 HG22 ILE 620 HG22 ILE 620 -4.603 4.251 -4.434 90 HG23 ILE 620 HG23 ILE 620 -6.315 4.291 -4.852 91 HD11 ILE 620 HD11 ILE 620 -8.638 4.477 -4.342 92 HD12 ILE 620 HD12 ILE 620 -9.221 3.774 -2.835 93 HD13 ILE 620 HD13 ILE 620 -7.857 3.044 -3.678 94 H HIS 621 HN HIS 621 -7.376 2.795 -0.023 95 HA HIS 621 HA HIS 621 -8.005 0.196 -1.145 96 HB2 HIS 621 HB2 HIS 621 -7.910 0.962 1.390 97 HB3 HIS 621 HB1 HIS 621 -9.581 1.410 1.084 98 HD1 HIS 621 HD1 HIS 621 -9.066 -0.765 3.103 99 HD2 HIS 621 HD2 HIS 621 -9.620 -1.528 -0.943 100 HE1 HIS 621 HE1 HIS 621 -9.825 -3.158 2.968 101 HE2 HIS 621 HE2 HIS 621 -10.240 -3.570 0.518 102 H VAL 622 HN VAL 622 -9.717 -0.248 -2.417 103 HA VAL 622 HA VAL 622 -11.394 1.954 -3.285 104 HB VAL 622 HB VAL 622 -11.490 -0.915 -4.216 105 HG11 VAL 622 HG11 VAL 622 -12.699 -0.143 -6.066 106 HG12 VAL 622 HG12 VAL 622 -12.270 1.540 -5.756 107 HG13 VAL 622 HG13 VAL 622 -13.407 0.709 -4.693 108 HG21 VAL 622 HG21 VAL 622 -10.010 -0.283 -6.021 109 HG22 VAL 622 HG22 VAL 622 -9.227 0.043 -4.474 110 HG23 VAL 622 HG23 VAL 622 -9.920 1.368 -5.409 111 H GLU 623 HN GLU 623 -11.635 -0.928 -1.339 112 HA GLU 623 HA GLU 623 -14.461 -1.127 -1.301 113 HB2 GLU 623 HB2 GLU 623 -12.979 -2.990 -0.690 114 HB3 GLU 623 HB1 GLU 623 -12.441 -2.097 0.727 115 HG2 GLU 623 HG2 GLU 623 -14.274 -2.608 1.907 116 HG3 GLU 623 HG1 GLU 623 -15.346 -2.435 0.518 117 H SER 624 HN SER 624 -12.134 0.594 0.719 118 HA SER 624 HA SER 624 -14.388 1.740 2.232 119 HB2 SER 624 HB2 SER 624 -12.538 2.372 3.896 120 HB3 SER 624 HB1 SER 624 -12.972 0.666 3.785 121 HG SER 624 HG SER 624 -10.663 1.984 2.915 122 H GLY 625 HN GLY 625 -11.736 2.452 0.130 123 HA2 GLY 625 HA2 GLY 625 -11.475 4.424 -1.098 124 HA3 GLY 625 HA1 GLY 625 -12.620 5.215 -0.029 125 H LYS 626 HN LYS 626 -10.729 3.865 2.154 126 HA LYS 626 HA LYS 626 -9.331 6.264 2.747 127 HB2 LYS 626 HB2 LYS 626 -9.298 3.490 3.909 128 HB3 LYS 626 HB1 LYS 626 -8.183 4.725 4.475 129 HG2 LYS 626 HG2 LYS 626 -10.826 5.805 4.420 130 HG3 LYS 626 HG1 LYS 626 -10.839 4.269 5.287 131 HD2 LYS 626 HD2 LYS 626 -8.571 5.978 5.978 132 HD3 LYS 626 HD1 LYS 626 -10.137 6.704 6.348 133 HE2 LYS 626 HE2 LYS 626 -10.695 4.436 7.427 134 HE3 LYS 626 HE1 LYS 626 -8.956 4.143 7.371 135 HZ1 LYS 626 HZ1 LYS 626 -10.296 6.415 8.736 136 HZ2 LYS 626 HZ2 LYS 626 -8.624 6.169 8.663 137 HZ3 LYS 626 HZ3 LYS 626 -9.604 5.069 9.493 138 H ILE 627 HN ILE 627 -7.180 6.781 2.559 139 HA ILE 627 HA ILE 627 -5.533 4.931 0.959 140 HB ILE 627 HB ILE 627 -5.343 7.940 0.875 141 HG12 ILE 627 HG12 ILE 627 -6.288 6.822 -1.584 142 HG13 ILE 627 HG11 ILE 627 -7.336 6.269 -0.282 143 HG21 ILE 627 HG21 ILE 627 -4.047 7.486 -1.190 144 HG22 ILE 627 HG22 ILE 627 -4.147 5.762 -0.831 145 HG23 ILE 627 HG23 ILE 627 -3.291 6.843 0.269 146 HD11 ILE 627 HD11 ILE 627 -8.400 8.196 -0.731 147 HD12 ILE 627 HD12 ILE 627 -6.960 8.964 -1.401 148 HD13 ILE 627 HD13 ILE 627 -7.175 8.866 0.347 149 H LEU 628 HN LEU 628 -3.621 4.375 1.787 150 HA LEU 628 HA LEU 628 -2.762 5.661 4.262 151 HB2 LEU 628 HB2 LEU 628 -1.604 3.182 3.000 152 HB3 LEU 628 HB1 LEU 628 -1.406 3.735 4.652 153 HG LEU 628 HG LEU 628 -4.103 2.968 3.568 154 HD11 LEU 628 HD11 LEU 628 -1.879 1.225 4.505 155 HD12 LEU 628 HD12 LEU 628 -3.073 0.949 3.236 156 HD13 LEU 628 HD13 LEU 628 -3.537 0.801 4.931 157 HD21 LEU 628 HD21 LEU 628 -4.563 3.938 5.557 158 HD22 LEU 628 HD22 LEU 628 -2.939 3.669 6.189 159 HD23 LEU 628 HD23 LEU 628 -4.110 2.351 6.177 160 H THR 629 HN THR 629 -0.823 6.694 4.505 161 HA THR 629 HA THR 629 0.510 7.516 2.063 162 HB THR 629 HB THR 629 1.899 8.619 4.215 163 HG1 THR 629 HG1 THR 629 -0.878 8.696 4.769 164 HG21 THR 629 HG21 THR 629 -0.340 10.262 3.417 165 HG22 THR 629 HG22 THR 629 0.498 9.553 2.036 166 HG23 THR 629 HG23 THR 629 1.392 10.521 3.211 167 H GLY 630 HN GLY 630 2.945 7.610 2.060 168 HA2 GLY 630 HA2 GLY 630 4.019 5.041 2.190 169 HA3 GLY 630 HA1 GLY 630 4.963 6.517 2.075 170 H THR 631 HN THR 631 3.581 7.309 4.739 171 HA THR 631 HA THR 631 5.720 6.454 6.401 172 HB THR 631 HB THR 631 3.199 7.581 7.543 173 HG1 THR 631 HG1 THR 631 4.997 8.939 5.835 174 HG21 THR 631 HG21 THR 631 4.539 8.639 9.073 175 HG22 THR 631 HG22 THR 631 5.947 8.629 8.010 176 HG23 THR 631 HG23 THR 631 5.428 7.140 8.800 177 H ASP 632 HN ASP 632 2.288 5.576 6.211 178 HA ASP 632 HA ASP 632 2.711 3.495 8.226 179 HB2 ASP 632 HB2 ASP 632 0.289 4.840 7.090 180 HB3 ASP 632 HB1 ASP 632 0.128 3.255 7.841 181 H ALA 633 HN ALA 633 2.303 3.919 4.838 182 HA ALA 633 HA ALA 633 1.243 1.433 4.106 183 HB1 ALA 633 HB1 ALA 633 2.722 3.595 2.743 184 HB2 ALA 633 HB2 ALA 633 1.206 2.805 2.310 185 HB3 ALA 633 HB3 ALA 633 2.744 2.013 1.964 186 HA PRO 634 HA PRO 634 4.570 -1.415 4.671 187 HB2 PRO 634 HB2 PRO 634 4.184 -3.145 2.635 188 HB3 PRO 634 HB1 PRO 634 3.076 -3.044 4.008 189 HG2 PRO 634 HG2 PRO 634 2.820 -1.835 1.279 190 HG3 PRO 634 HG1 PRO 634 1.598 -2.683 2.242 191 HD2 PRO 634 HD2 PRO 634 1.721 0.020 2.092 192 HD3 PRO 634 HD1 PRO 634 1.155 -0.833 3.543 193 H LYS 635 HN LYS 635 6.534 -2.291 3.699 194 HA LYS 635 HA LYS 635 7.871 -0.350 2.085 195 HB2 LYS 635 HB2 LYS 635 8.710 -3.070 3.096 196 HB3 LYS 635 HB1 LYS 635 9.771 -2.008 2.181 197 HG2 LYS 635 HG2 LYS 635 9.441 -0.280 3.950 198 HG3 LYS 635 HG1 LYS 635 8.565 -1.490 4.888 199 HD2 LYS 635 HD2 LYS 635 10.552 -2.927 4.874 200 HD3 LYS 635 HD1 LYS 635 11.426 -1.705 3.949 201 HE2 LYS 635 HE2 LYS 635 11.088 -0.110 5.802 202 HE3 LYS 635 HE1 LYS 635 10.302 -1.387 6.729 203 HZ1 LYS 635 HZ1 LYS 635 12.843 -0.868 7.003 204 HZ2 LYS 635 HZ2 LYS 635 12.983 -1.901 5.672 205 HZ3 LYS 635 HZ3 LYS 635 12.262 -2.454 7.099 206 H ALA 636 HN ALA 636 9.325 -1.317 0.217 207 HA ALA 636 HA ALA 636 7.621 -1.889 -1.922 208 HB1 ALA 636 HB1 ALA 636 10.043 -0.948 -1.879 209 HB2 ALA 636 HB2 ALA 636 9.497 -1.894 -3.263 210 HB3 ALA 636 HB3 ALA 636 10.508 -2.642 -2.027 211 H GLY 637 HN GLY 637 9.808 -4.059 -0.132 212 HA2 GLY 637 HA2 GLY 637 9.027 -6.370 -1.629 213 HA3 GLY 637 HA1 GLY 637 9.989 -6.358 -0.160 214 H GLN 638 HN GLN 638 8.041 -4.992 1.464 215 HA GLN 638 HA GLN 638 6.410 -7.275 2.131 216 HB2 GLN 638 HB2 GLN 638 6.425 -4.552 3.435 217 HB3 GLN 638 HB1 GLN 638 5.810 -6.051 4.116 218 HG2 GLN 638 HG2 GLN 638 8.270 -6.866 3.764 219 HG3 GLN 638 HG1 GLN 638 8.619 -5.137 3.766 220 HE21 GLN 638 HE21 GLN 638 7.549 -3.934 5.622 221 HE22 GLN 638 HE22 GLN 638 7.641 -4.689 7.175 222 H LEU 639 HN LEU 639 6.002 -4.625 0.100 223 HA LEU 639 HA LEU 639 3.323 -3.926 0.551 224 HB2 LEU 639 HB2 LEU 639 4.747 -2.550 -0.822 225 HB3 LEU 639 HB1 LEU 639 4.975 -3.854 -1.970 226 HG LEU 639 HG LEU 639 2.380 -3.696 -2.255 227 HD11 LEU 639 HD11 LEU 639 1.977 -1.057 -2.080 228 HD12 LEU 639 HD12 LEU 639 3.060 -1.274 -0.706 229 HD13 LEU 639 HD13 LEU 639 1.552 -2.184 -0.792 230 HD21 LEU 639 HD21 LEU 639 3.481 -3.229 -4.183 231 HD22 LEU 639 HD22 LEU 639 4.567 -2.071 -3.414 232 HD23 LEU 639 HD23 LEU 639 2.914 -1.601 -3.810 233 H GLU 640 HN GLU 640 4.728 -6.271 -1.733 234 HA GLU 640 HA GLU 640 2.409 -7.138 -2.948 235 HB2 GLU 640 HB2 GLU 640 5.088 -8.285 -2.478 236 HB3 GLU 640 HB1 GLU 640 3.824 -9.451 -2.848 237 HG2 GLU 640 HG2 GLU 640 3.464 -8.589 -4.962 238 HG3 GLU 640 HG1 GLU 640 4.184 -7.030 -4.560 239 H ALA 641 HN ALA 641 3.879 -8.337 0.038 240 HA ALA 641 HA ALA 641 1.908 -10.325 0.522 241 HB1 ALA 641 HB1 ALA 641 4.149 -9.133 2.060 242 HB2 ALA 641 HB2 ALA 641 3.801 -10.821 1.688 243 HB3 ALA 641 HB3 ALA 641 2.899 -9.995 2.958 244 H TRP 642 HN TRP 642 2.299 -6.971 1.501 245 HA TRP 642 HA TRP 642 0.208 -6.909 3.398 246 HB2 TRP 642 HB2 TRP 642 2.046 -5.189 3.103 247 HB3 TRP 642 HB1 TRP 642 1.142 -4.578 1.721 248 HD1 TRP 642 HD1 TRP 642 1.240 -4.475 5.489 249 HE1 TRP 642 HE1 TRP 642 -0.602 -2.895 6.348 250 HE3 TRP 642 HE3 TRP 642 -1.308 -3.748 1.120 251 HZ2 TRP 642 HZ2 TRP 642 -2.838 -1.520 5.309 252 HZ3 TRP 642 HZ3 TRP 642 -3.284 -2.287 1.136 253 HH2 TRP 642 HH2 TRP 642 -4.034 -1.197 3.188 254 H LEU 643 HN LEU 643 0.314 -6.282 -0.075 255 HA LEU 643 HA LEU 643 -2.368 -5.395 -0.308 256 HB2 LEU 643 HB2 LEU 643 -0.491 -6.599 -2.344 257 HB3 LEU 643 HB1 LEU 643 -2.057 -5.914 -2.737 258 HG LEU 643 HG LEU 643 0.167 -4.344 -1.437 259 HD11 LEU 643 HD11 LEU 643 0.788 -5.180 -3.692 260 HD12 LEU 643 HD12 LEU 643 0.668 -3.423 -3.592 261 HD13 LEU 643 HD13 LEU 643 -0.628 -4.355 -4.342 262 HD21 LEU 643 HD21 LEU 643 -1.188 -2.540 -1.521 263 HD22 LEU 643 HD22 LEU 643 -2.457 -3.764 -1.467 264 HD23 LEU 643 HD23 LEU 643 -1.973 -3.063 -3.012 265 H GLU 644 HN GLU 644 -0.800 -8.547 -0.676 266 HA GLU 644 HA GLU 644 -3.028 -9.991 -1.568 267 HB2 GLU 644 HB2 GLU 644 -0.443 -10.658 -0.268 268 HB3 GLU 644 HB1 GLU 644 -1.703 -11.882 -0.189 269 HG2 GLU 644 HG2 GLU 644 -1.133 -12.539 -2.218 270 HG3 GLU 644 HG1 GLU 644 -1.668 -10.980 -2.842 271 H MET 645 HN MET 645 -1.911 -9.192 1.684 272 HA MET 645 HA MET 645 -3.978 -10.701 2.986 273 HB2 MET 645 HB2 MET 645 -1.813 -10.303 4.076 274 HB3 MET 645 HB1 MET 645 -2.126 -8.572 4.074 275 HG2 MET 645 HG2 MET 645 -2.875 -8.920 6.144 276 HG3 MET 645 HG1 MET 645 -4.334 -9.504 5.343 277 HE1 MET 645 HE1 MET 645 -1.927 -11.492 8.330 278 HE2 MET 645 HE2 MET 645 -3.577 -10.900 8.521 279 HE3 MET 645 HE3 MET 645 -2.312 -9.813 7.951 280 H ASN 646 HN ASN 646 -3.459 -7.350 2.062 281 HA ASN 646 HA ASN 646 -6.160 -6.694 3.036 282 HB2 ASN 646 HB2 ASN 646 -3.938 -4.753 2.371 283 HB3 ASN 646 HB1 ASN 646 -5.469 -4.384 3.157 284 HD21 ASN 646 HD21 ASN 646 -2.271 -5.551 3.553 285 HD22 ASN 646 HD22 ASN 646 -2.316 -5.742 5.270 286 HA PRO 647 HA PRO 647 -6.472 -6.771 -1.585 287 HB2 PRO 647 HB2 PRO 647 -9.009 -7.750 -1.625 288 HB3 PRO 647 HB1 PRO 647 -7.578 -8.781 -1.537 289 HG2 PRO 647 HG2 PRO 647 -9.401 -7.878 0.659 290 HG3 PRO 647 HG1 PRO 647 -8.702 -9.483 0.374 291 HD2 PRO 647 HD2 PRO 647 -7.687 -7.769 2.200 292 HD3 PRO 647 HD1 PRO 647 -6.665 -8.897 1.285 293 H GLY 648 HN GLY 648 -7.510 -5.315 -2.905 294 HA2 GLY 648 HA2 GLY 648 -9.306 -3.802 -3.406 295 HA3 GLY 648 HA1 GLY 648 -9.546 -3.580 -1.680 296 H TYR 649 HN TYR 649 -6.335 -3.509 -1.868 297 HA TYR 649 HA TYR 649 -6.294 -0.597 -2.003 298 HB2 TYR 649 HB2 TYR 649 -4.573 -2.684 -0.770 299 HB3 TYR 649 HB1 TYR 649 -3.790 -1.190 -1.268 300 HD1 TYR 649 HD1 TYR 649 -4.103 0.833 -0.040 301 HD2 TYR 649 HD2 TYR 649 -6.375 -2.625 0.937 302 HE1 TYR 649 HE1 TYR 649 -4.814 1.908 2.056 303 HE2 TYR 649 HE2 TYR 649 -7.097 -1.563 3.036 304 HH TYR 649 HH TYR 649 -5.859 0.515 4.571 305 H GLU 650 HN GLU 650 -4.583 0.516 -3.144 306 HA GLU 650 HA GLU 650 -3.203 -0.932 -5.252 307 HB2 GLU 650 HB2 GLU 650 -5.284 1.187 -5.790 308 HB3 GLU 650 HB1 GLU 650 -4.054 0.742 -6.965 309 HG2 GLU 650 HG2 GLU 650 -5.936 -1.262 -5.766 310 HG3 GLU 650 HG1 GLU 650 -6.323 -0.340 -7.218 311 H VAL 651 HN VAL 651 -1.466 0.276 -6.182 312 HA VAL 651 HA VAL 651 -0.047 1.884 -4.428 313 HB VAL 651 HB VAL 651 0.213 1.967 -7.435 314 HG11 VAL 651 HG11 VAL 651 1.837 2.950 -5.173 315 HG12 VAL 651 HG12 VAL 651 1.684 3.570 -6.817 316 HG13 VAL 651 HG13 VAL 651 2.716 2.177 -6.493 317 HG21 VAL 651 HG21 VAL 651 1.037 -0.103 -7.447 318 HG22 VAL 651 HG22 VAL 651 0.404 -0.282 -5.811 319 HG23 VAL 651 HG23 VAL 651 2.074 0.228 -6.060 320 H ALA 652 HN ALA 652 -0.384 3.885 -3.722 321 HA ALA 652 HA ALA 652 -2.244 5.625 -5.088 322 HB1 ALA 652 HB1 ALA 652 -0.798 6.793 -2.843 323 HB2 ALA 652 HB2 ALA 652 -1.564 5.253 -2.452 324 HB3 ALA 652 HB3 ALA 652 -2.532 6.582 -3.091 325 HA PRO 653 HA PRO 653 0.846 7.931 -7.278 326 HB2 PRO 653 HB2 PRO 653 -0.597 10.102 -7.945 327 HB3 PRO 653 HB1 PRO 653 -0.904 8.518 -8.669 328 HG2 PRO 653 HG2 PRO 653 -2.357 9.897 -6.445 329 HG3 PRO 653 HG1 PRO 653 -3.016 8.994 -7.821 330 HD2 PRO 653 HD2 PRO 653 -2.749 7.940 -5.316 331 HD3 PRO 653 HD1 PRO 653 -2.699 6.965 -6.798 332 H ARG 654 HN ARG 654 2.165 9.793 -7.112 333 HA ARG 654 HA ARG 654 1.974 11.152 -4.506 334 HB2 ARG 654 HB2 ARG 654 4.469 11.605 -4.943 335 HB3 ARG 654 HB1 ARG 654 3.993 9.975 -4.489 336 HG2 ARG 654 HG2 ARG 654 4.077 10.548 -7.381 337 HG3 ARG 654 HG1 ARG 654 5.626 10.523 -6.536 338 HD2 ARG 654 HD2 ARG 654 5.561 8.300 -6.235 339 HD3 ARG 654 HD1 ARG 654 3.844 8.309 -5.834 340 HE ARG 654 HE ARG 654 4.320 8.758 -8.616 341 HH11 ARG 654 HH11 ARG 654 4.070 6.287 -6.163 342 HH12 ARG 654 HH12 ARG 654 3.614 5.047 -7.282 343 HH21 ARG 654 HH21 ARG 654 3.720 7.127 -10.089 344 HH22 ARG 654 HH22 ARG 654 3.417 5.523 -9.511 345 H SER 655 HN SER 655 1.951 11.604 -7.909 346 HA SER 655 HA SER 655 1.651 13.443 -9.212 347 HB2 SER 655 HB2 SER 655 0.020 14.020 -7.340 348 HB3 SER 655 HB1 SER 655 1.290 15.053 -6.683 349 HG SER 655 HG SER 655 1.299 16.019 -8.879 350 H ASP 656 HN ASP 656 4.279 12.693 -8.242 351 HA ASP 656 HA ASP 656 5.616 15.302 -8.510 352 HB2 ASP 656 HB2 ASP 656 5.733 13.993 -6.213 353 HB3 ASP 656 HB1 ASP 656 6.976 13.074 -7.057 354 H SER 657 HN SER 657 8.029 14.897 -9.145 355 HA SER 657 HA SER 657 7.949 13.311 -11.578 356 HB2 SER 657 HB2 SER 657 10.112 15.149 -10.520 357 HB3 SER 657 HB1 SER 657 10.061 14.432 -12.131 358 HG SER 657 HG SER 657 9.035 16.709 -11.421 359 H GLU 658 HN GLU 658 10.410 13.740 -9.028 360 HA GLU 658 HA GLU 658 10.951 10.849 -9.202 361 HB2 GLU 658 HB2 GLU 658 13.339 11.399 -8.701 362 HB3 GLU 658 HB1 GLU 658 12.785 11.963 -10.271 363 HG2 GLU 658 HG2 GLU 658 12.426 14.211 -9.252 364 HG3 GLU 658 HG1 GLU 658 13.190 13.604 -7.785 Start of MODEL 15 1 H1 SER 610 HT1 SER 610 17.914 7.517 -4.707 2 H2 SER 610 HT2 SER 610 19.492 8.175 -4.852 3 H3 SER 610 HT3 SER 610 19.056 7.284 -3.452 4 HA SER 610 HA SER 610 18.997 6.114 -6.137 5 HB2 SER 610 HB2 SER 610 21.290 6.777 -4.380 6 HB3 SER 610 HB1 SER 610 21.283 5.145 -5.049 7 HG SER 610 HG SER 610 21.793 5.950 -6.915 8 H GLN 611 HN GLN 611 17.268 5.901 -3.753 9 HA GLN 611 HA GLN 611 17.440 3.018 -3.453 10 HB2 GLN 611 HB2 GLN 611 17.907 4.951 -1.238 11 HB3 GLN 611 HB1 GLN 611 16.948 3.522 -0.878 12 HG2 GLN 611 HG2 GLN 611 18.728 2.185 -0.892 13 HG3 GLN 611 HG1 GLN 611 19.385 2.922 -2.352 14 HE21 GLN 611 HE21 GLN 611 21.256 3.886 -2.097 15 HE22 GLN 611 HE22 GLN 611 21.852 4.596 -0.639 16 H MET 612 HN MET 612 15.616 4.553 -4.879 17 HA MET 612 HA MET 612 13.278 5.236 -3.487 18 HB2 MET 612 HB2 MET 612 13.858 4.498 -6.336 19 HB3 MET 612 HB1 MET 612 12.199 4.740 -5.806 20 HG2 MET 612 HG2 MET 612 12.865 7.002 -5.002 21 HG3 MET 612 HG1 MET 612 14.442 6.741 -5.746 22 HE1 MET 612 HE1 MET 612 10.492 7.727 -6.953 23 HE2 MET 612 HE2 MET 612 10.839 6.122 -6.308 24 HE3 MET 612 HE3 MET 612 10.576 6.340 -8.039 25 H SER 613 HN SER 613 14.484 2.173 -4.653 26 HA SER 613 HA SER 613 12.094 0.696 -4.532 27 HB2 SER 613 HB2 SER 613 14.433 0.070 -5.518 28 HB3 SER 613 HB1 SER 613 14.752 -0.545 -3.896 29 HG SER 613 HG SER 613 12.733 -1.353 -5.708 30 H ASP 614 HN ASP 614 14.374 1.676 -2.077 31 HA ASP 614 HA ASP 614 13.325 -0.103 -0.069 32 HB2 ASP 614 HB2 ASP 614 15.655 1.432 -0.368 33 HB3 ASP 614 HB1 ASP 614 14.810 2.137 1.007 34 H LEU 615 HN LEU 615 12.713 3.142 -1.164 35 HA LEU 615 HA LEU 615 11.428 4.160 1.117 36 HB2 LEU 615 HB2 LEU 615 10.752 4.841 -1.741 37 HB3 LEU 615 HB1 LEU 615 10.516 5.846 -0.324 38 HG LEU 615 HG LEU 615 13.181 5.057 -1.503 39 HD11 LEU 615 HD11 LEU 615 11.850 7.756 -1.396 40 HD12 LEU 615 HD12 LEU 615 11.862 6.706 -2.813 41 HD13 LEU 615 HD13 LEU 615 13.377 7.347 -2.177 42 HD21 LEU 615 HD21 LEU 615 13.025 5.354 1.028 43 HD22 LEU 615 HD22 LEU 615 12.705 7.054 0.686 44 HD23 LEU 615 HD23 LEU 615 14.224 6.322 0.169 45 HA PRO 616 HA PRO 616 7.584 1.984 1.130 46 HB2 PRO 616 HB2 PRO 616 6.014 3.742 2.445 47 HB3 PRO 616 HB1 PRO 616 7.314 2.853 3.250 48 HG2 PRO 616 HG2 PRO 616 7.295 5.666 2.225 49 HG3 PRO 616 HG1 PRO 616 7.942 5.036 3.750 50 HD2 PRO 616 HD2 PRO 616 9.498 5.580 1.583 51 HD3 PRO 616 HD1 PRO 616 9.894 4.323 2.771 52 H VAL 617 HN VAL 617 5.489 1.946 0.213 53 HA VAL 617 HA VAL 617 4.989 4.075 -1.767 54 HB VAL 617 HB VAL 617 4.209 1.169 -2.041 55 HG11 VAL 617 HG11 VAL 617 4.173 2.173 -4.533 56 HG12 VAL 617 HG12 VAL 617 3.730 3.615 -3.620 57 HG13 VAL 617 HG13 VAL 617 2.762 2.148 -3.475 58 HG21 VAL 617 HG21 VAL 617 6.146 0.693 -3.073 59 HG22 VAL 617 HG22 VAL 617 6.762 2.093 -2.196 60 HG23 VAL 617 HG23 VAL 617 6.228 2.265 -3.866 61 H LYS 618 HN LYS 618 3.198 5.197 -1.416 62 HA LYS 618 HA LYS 618 1.275 4.366 0.543 63 HB2 LYS 618 HB2 LYS 618 0.137 6.491 -0.015 64 HB3 LYS 618 HB1 LYS 618 1.840 6.714 0.357 65 HG2 LYS 618 HG2 LYS 618 1.181 6.328 -2.488 66 HG3 LYS 618 HG1 LYS 618 0.613 7.826 -1.747 67 HD2 LYS 618 HD2 LYS 618 3.185 7.645 -0.818 68 HD3 LYS 618 HD1 LYS 618 3.324 6.984 -2.447 69 HE2 LYS 618 HE2 LYS 618 1.675 9.301 -2.557 70 HE3 LYS 618 HE1 LYS 618 3.130 9.701 -1.644 71 HZ1 LYS 618 HZ1 LYS 618 4.462 8.850 -3.481 72 HZ2 LYS 618 HZ2 LYS 618 3.447 10.101 -3.996 73 HZ3 LYS 618 HZ3 LYS 618 3.059 8.495 -4.359 74 H VAL 619 HN VAL 619 -0.700 3.497 0.259 75 HA VAL 619 HA VAL 619 -1.628 3.087 -2.511 76 HB VAL 619 HB VAL 619 -2.706 0.954 -1.551 77 HG11 VAL 619 HG11 VAL 619 -0.247 -0.130 -1.642 78 HG12 VAL 619 HG12 VAL 619 0.082 1.440 -2.375 79 HG13 VAL 619 HG13 VAL 619 -1.143 0.380 -3.073 80 HG21 VAL 619 HG21 VAL 619 -0.466 1.190 0.445 81 HG22 VAL 619 HG22 VAL 619 -1.724 -0.043 0.360 82 HG23 VAL 619 HG23 VAL 619 -2.137 1.608 0.824 83 H ILE 620 HN ILE 620 -4.048 2.271 -2.400 84 HA ILE 620 HA ILE 620 -5.549 3.722 -0.352 85 HB ILE 620 HB ILE 620 -5.329 5.338 -2.162 86 HG12 ILE 620 HG12 ILE 620 -8.065 4.083 -1.863 87 HG13 ILE 620 HG11 ILE 620 -7.403 5.439 -0.959 88 HG21 ILE 620 HG21 ILE 620 -5.238 3.252 -3.849 89 HG22 ILE 620 HG22 ILE 620 -5.609 4.899 -4.360 90 HG23 ILE 620 HG23 ILE 620 -6.915 3.747 -4.077 91 HD11 ILE 620 HD11 ILE 620 -7.544 6.863 -2.863 92 HD12 ILE 620 HD12 ILE 620 -9.096 6.048 -2.671 93 HD13 ILE 620 HD13 ILE 620 -7.965 5.508 -3.911 94 H HIS 621 HN HIS 621 -7.343 2.698 0.274 95 HA HIS 621 HA HIS 621 -7.999 0.150 -0.944 96 HB2 HIS 621 HB2 HIS 621 -7.933 0.861 1.619 97 HB3 HIS 621 HB1 HIS 621 -9.596 1.317 1.293 98 HD1 HIS 621 HD1 HIS 621 -9.120 -0.887 3.282 99 HD2 HIS 621 HD2 HIS 621 -9.605 -1.593 -0.782 100 HE1 HIS 621 HE1 HIS 621 -9.873 -3.279 3.100 101 HE2 HIS 621 HE2 HIS 621 -10.248 -3.654 0.638 102 H VAL 622 HN VAL 622 -9.815 -0.290 -2.121 103 HA VAL 622 HA VAL 622 -11.314 1.975 -3.118 104 HB VAL 622 HB VAL 622 -11.660 -0.941 -3.823 105 HG11 VAL 622 HG11 VAL 622 -13.110 -0.307 -5.425 106 HG12 VAL 622 HG12 VAL 622 -12.230 1.179 -5.781 107 HG13 VAL 622 HG13 VAL 622 -13.323 1.111 -4.398 108 HG21 VAL 622 HG21 VAL 622 -9.367 0.471 -4.209 109 HG22 VAL 622 HG22 VAL 622 -10.240 0.805 -5.705 110 HG23 VAL 622 HG23 VAL 622 -9.911 -0.861 -5.229 111 H GLU 623 HN GLU 623 -11.878 -0.865 -1.119 112 HA GLU 623 HA GLU 623 -14.699 -0.619 -0.990 113 HB2 GLU 623 HB2 GLU 623 -12.617 -2.220 0.335 114 HB3 GLU 623 HB1 GLU 623 -14.044 -1.923 1.318 115 HG2 GLU 623 HG2 GLU 623 -14.653 -3.857 0.286 116 HG3 GLU 623 HG1 GLU 623 -15.307 -2.679 -0.851 117 H SER 624 HN SER 624 -12.072 0.773 0.876 118 HA SER 624 HA SER 624 -14.043 2.080 2.628 119 HB2 SER 624 HB2 SER 624 -11.872 0.672 3.393 120 HB3 SER 624 HB1 SER 624 -11.158 2.281 3.275 121 HG SER 624 HG SER 624 -12.030 1.865 5.354 122 H GLY 625 HN GLY 625 -11.662 2.660 0.184 123 HA2 GLY 625 HA2 GLY 625 -11.291 4.596 -1.024 124 HA3 GLY 625 HA1 GLY 625 -12.461 5.415 -0.001 125 H LYS 626 HN LYS 626 -10.248 3.891 1.966 126 HA LYS 626 HA LYS 626 -9.048 6.381 2.727 127 HB2 LYS 626 HB2 LYS 626 -9.611 4.069 4.056 128 HB3 LYS 626 HB1 LYS 626 -7.881 3.891 3.791 129 HG2 LYS 626 HG2 LYS 626 -7.616 6.195 4.786 130 HG3 LYS 626 HG1 LYS 626 -9.311 6.085 5.264 131 HD2 LYS 626 HD2 LYS 626 -8.890 4.240 6.682 132 HD3 LYS 626 HD1 LYS 626 -7.281 3.990 6.000 133 HE2 LYS 626 HE2 LYS 626 -6.983 6.497 6.870 134 HE3 LYS 626 HE1 LYS 626 -8.215 5.956 8.010 135 HZ1 LYS 626 HZ1 LYS 626 -5.514 4.819 7.581 136 HZ2 LYS 626 HZ2 LYS 626 -6.716 4.001 8.444 137 HZ3 LYS 626 HZ3 LYS 626 -6.147 5.494 8.997 138 H ILE 627 HN ILE 627 -6.854 6.943 2.637 139 HA ILE 627 HA ILE 627 -5.256 5.397 0.697 140 HB ILE 627 HB ILE 627 -5.139 8.390 1.061 141 HG12 ILE 627 HG12 ILE 627 -6.266 7.094 -1.387 142 HG13 ILE 627 HG11 ILE 627 -7.297 7.270 0.030 143 HG21 ILE 627 HG21 ILE 627 -3.120 7.094 0.210 144 HG22 ILE 627 HG22 ILE 627 -3.694 8.430 -0.789 145 HG23 ILE 627 HG23 ILE 627 -4.080 6.767 -1.232 146 HD11 ILE 627 HD11 ILE 627 -7.249 9.100 -1.826 147 HD12 ILE 627 HD12 ILE 627 -5.801 9.638 -0.974 148 HD13 ILE 627 HD13 ILE 627 -7.344 9.553 -0.124 149 H LEU 628 HN LEU 628 -3.763 4.365 1.902 150 HA LEU 628 HA LEU 628 -2.626 5.579 4.256 151 HB2 LEU 628 HB2 LEU 628 -1.688 3.065 2.882 152 HB3 LEU 628 HB1 LEU 628 -1.409 3.542 4.545 153 HG LEU 628 HG LEU 628 -4.179 3.009 3.506 154 HD11 LEU 628 HD11 LEU 628 -2.335 1.021 4.821 155 HD12 LEU 628 HD12 LEU 628 -2.769 1.024 3.111 156 HD13 LEU 628 HD13 LEU 628 -4.009 0.750 4.334 157 HD21 LEU 628 HD21 LEU 628 -4.196 2.334 6.093 158 HD22 LEU 628 HD22 LEU 628 -4.515 3.973 5.526 159 HD23 LEU 628 HD23 LEU 628 -2.912 3.543 6.122 160 H THR 629 HN THR 629 -0.762 6.690 4.396 161 HA THR 629 HA THR 629 0.657 7.280 1.938 162 HB THR 629 HB THR 629 1.435 9.165 2.964 163 HG1 THR 629 HG1 THR 629 1.976 9.241 5.191 164 HG21 THR 629 HG21 THR 629 -0.419 8.936 5.223 165 HG22 THR 629 HG22 THR 629 -1.139 8.720 3.628 166 HG23 THR 629 HG23 THR 629 -0.254 10.199 4.003 167 H GLY 630 HN GLY 630 3.097 7.340 2.008 168 HA2 GLY 630 HA2 GLY 630 4.157 4.812 2.264 169 HA3 GLY 630 HA1 GLY 630 5.120 6.280 2.270 170 H THR 631 HN THR 631 3.621 7.124 4.782 171 HA THR 631 HA THR 631 5.539 6.172 6.629 172 HB THR 631 HB THR 631 2.992 7.310 7.646 173 HG1 THR 631 HG1 THR 631 4.794 8.756 6.004 174 HG21 THR 631 HG21 THR 631 5.830 7.386 8.334 175 HG22 THR 631 HG22 THR 631 4.402 7.542 9.358 176 HG23 THR 631 HG23 THR 631 5.003 8.938 8.463 177 H ASP 632 HN ASP 632 2.115 5.370 6.130 178 HA ASP 632 HA ASP 632 2.319 3.270 8.162 179 HB2 ASP 632 HB2 ASP 632 0.347 5.025 7.828 180 HB3 ASP 632 HB1 ASP 632 -0.228 3.795 6.707 181 H ALA 633 HN ALA 633 2.170 3.717 4.750 182 HA ALA 633 HA ALA 633 1.144 1.246 3.932 183 HB1 ALA 633 HB1 ALA 633 1.680 3.397 2.577 184 HB2 ALA 633 HB2 ALA 633 1.808 1.820 1.796 185 HB3 ALA 633 HB3 ALA 633 3.261 2.647 2.356 186 HA PRO 634 HA PRO 634 4.432 -1.605 4.691 187 HB2 PRO 634 HB2 PRO 634 4.095 -3.389 2.708 188 HB3 PRO 634 HB1 PRO 634 2.910 -3.210 4.008 189 HG2 PRO 634 HG2 PRO 634 2.855 -2.084 1.230 190 HG3 PRO 634 HG1 PRO 634 1.554 -2.875 2.137 191 HD2 PRO 634 HD2 PRO 634 1.768 -0.176 1.919 192 HD3 PRO 634 HD1 PRO 634 1.065 -0.974 3.340 193 H LYS 635 HN LYS 635 6.421 -2.525 3.810 194 HA LYS 635 HA LYS 635 7.831 -0.643 2.188 195 HB2 LYS 635 HB2 LYS 635 8.635 -3.359 3.245 196 HB3 LYS 635 HB1 LYS 635 9.725 -2.256 2.414 197 HG2 LYS 635 HG2 LYS 635 8.947 -0.581 4.274 198 HG3 LYS 635 HG1 LYS 635 8.545 -2.065 5.139 199 HD2 LYS 635 HD2 LYS 635 10.816 -2.849 4.948 200 HD3 LYS 635 HD1 LYS 635 11.243 -1.474 3.927 201 HE2 LYS 635 HE2 LYS 635 11.473 -0.088 5.682 202 HE3 LYS 635 HE1 LYS 635 10.060 -0.746 6.509 203 HZ1 LYS 635 HZ1 LYS 635 11.767 -2.772 6.748 204 HZ2 LYS 635 HZ2 LYS 635 11.619 -1.542 7.899 205 HZ3 LYS 635 HZ3 LYS 635 12.858 -1.479 6.750 206 H ALA 636 HN ALA 636 9.310 -1.626 0.376 207 HA ALA 636 HA ALA 636 7.644 -2.300 -1.773 208 HB1 ALA 636 HB1 ALA 636 10.036 -3.025 -2.732 209 HB2 ALA 636 HB2 ALA 636 10.557 -2.073 -1.341 210 HB3 ALA 636 HB3 ALA 636 9.529 -1.343 -2.575 211 H GLY 637 HN GLY 637 9.797 -4.323 0.197 212 HA2 GLY 637 HA2 GLY 637 9.248 -6.708 -1.287 213 HA3 GLY 637 HA1 GLY 637 10.079 -6.611 0.257 214 H GLN 638 HN GLN 638 7.933 -5.302 1.673 215 HA GLN 638 HA GLN 638 6.318 -7.656 2.181 216 HB2 GLN 638 HB2 GLN 638 6.748 -5.053 3.607 217 HB3 GLN 638 HB1 GLN 638 5.407 -6.101 4.049 218 HG2 GLN 638 HG2 GLN 638 8.142 -7.258 3.890 219 HG3 GLN 638 HG1 GLN 638 7.713 -6.257 5.276 220 HE21 GLN 638 HE21 GLN 638 5.869 -6.904 6.545 221 HE22 GLN 638 HE22 GLN 638 5.448 -8.576 6.653 222 H LEU 639 HN LEU 639 6.011 -4.974 0.207 223 HA LEU 639 HA LEU 639 3.346 -4.206 0.552 224 HB2 LEU 639 HB2 LEU 639 4.848 -2.911 -0.816 225 HB3 LEU 639 HB1 LEU 639 5.061 -4.250 -1.928 226 HG LEU 639 HG LEU 639 2.502 -4.024 -2.318 227 HD11 LEU 639 HD11 LEU 639 1.715 -1.692 -2.065 228 HD12 LEU 639 HD12 LEU 639 3.171 -1.332 -1.139 229 HD13 LEU 639 HD13 LEU 639 2.002 -2.500 -0.523 230 HD21 LEU 639 HD21 LEU 639 3.033 -2.028 -3.900 231 HD22 LEU 639 HD22 LEU 639 3.826 -3.583 -4.151 232 HD23 LEU 639 HD23 LEU 639 4.689 -2.272 -3.346 233 H GLU 640 HN GLU 640 4.726 -6.660 -1.628 234 HA GLU 640 HA GLU 640 2.416 -7.479 -2.892 235 HB2 GLU 640 HB2 GLU 640 4.658 -9.307 -2.027 236 HB3 GLU 640 HB1 GLU 640 3.545 -9.564 -3.363 237 HG2 GLU 640 HG2 GLU 640 4.791 -8.367 -4.754 238 HG3 GLU 640 HG1 GLU 640 4.939 -7.042 -3.601 239 H ALA 641 HN ALA 641 3.792 -8.769 0.110 240 HA ALA 641 HA ALA 641 1.709 -10.622 0.592 241 HB1 ALA 641 HB1 ALA 641 3.545 -9.377 2.633 242 HB2 ALA 641 HB2 ALA 641 3.980 -10.739 1.600 243 HB3 ALA 641 HB3 ALA 641 2.673 -10.903 2.772 244 H TRP 642 HN TRP 642 2.188 -7.257 1.456 245 HA TRP 642 HA TRP 642 0.103 -7.083 3.360 246 HB2 TRP 642 HB2 TRP 642 2.001 -5.428 2.994 247 HB3 TRP 642 HB1 TRP 642 1.079 -4.816 1.625 248 HD1 TRP 642 HD1 TRP 642 1.081 -4.886 5.440 249 HE1 TRP 642 HE1 TRP 642 -0.626 -3.163 6.300 250 HE3 TRP 642 HE3 TRP 642 -1.102 -3.623 0.997 251 HZ2 TRP 642 HZ2 TRP 642 -2.632 -1.488 5.235 252 HZ3 TRP 642 HZ3 TRP 642 -2.908 -1.952 1.003 253 HH2 TRP 642 HH2 TRP 642 -3.656 -0.910 3.079 254 H LEU 643 HN LEU 643 0.233 -6.371 -0.115 255 HA LEU 643 HA LEU 643 -2.421 -5.474 -0.363 256 HB2 LEU 643 HB2 LEU 643 -0.474 -6.666 -2.322 257 HB3 LEU 643 HB1 LEU 643 -2.092 -6.194 -2.805 258 HG LEU 643 HG LEU 643 0.040 -4.370 -1.693 259 HD11 LEU 643 HD11 LEU 643 -0.460 -3.325 -4.043 260 HD12 LEU 643 HD12 LEU 643 -0.987 -4.963 -4.425 261 HD13 LEU 643 HD13 LEU 643 0.664 -4.673 -3.877 262 HD21 LEU 643 HD21 LEU 643 -1.848 -3.337 -0.917 263 HD22 LEU 643 HD22 LEU 643 -2.870 -4.000 -2.194 264 HD23 LEU 643 HD23 LEU 643 -1.774 -2.663 -2.546 265 H GLU 644 HN GLU 644 -0.965 -8.685 -0.728 266 HA GLU 644 HA GLU 644 -3.281 -10.036 -1.567 267 HB2 GLU 644 HB2 GLU 644 -0.614 -10.734 -0.672 268 HB3 GLU 644 HB1 GLU 644 -1.805 -11.865 -0.044 269 HG2 GLU 644 HG2 GLU 644 -2.103 -11.210 -2.888 270 HG3 GLU 644 HG1 GLU 644 -0.617 -12.061 -2.465 271 H MET 645 HN MET 645 -2.032 -9.269 1.640 272 HA MET 645 HA MET 645 -4.092 -10.739 3.008 273 HB2 MET 645 HB2 MET 645 -1.658 -10.035 3.786 274 HB3 MET 645 HB1 MET 645 -2.507 -8.609 4.368 275 HG2 MET 645 HG2 MET 645 -3.449 -11.363 5.062 276 HG3 MET 645 HG1 MET 645 -2.162 -10.576 5.972 277 HE1 MET 645 HE1 MET 645 -3.259 -8.131 7.978 278 HE2 MET 645 HE2 MET 645 -3.767 -7.207 6.565 279 HE3 MET 645 HE3 MET 645 -2.303 -8.187 6.497 280 H ASN 646 HN ASN 646 -3.700 -7.533 1.765 281 HA ASN 646 HA ASN 646 -6.275 -6.773 2.981 282 HB2 ASN 646 HB2 ASN 646 -4.033 -4.871 2.265 283 HB3 ASN 646 HB1 ASN 646 -5.535 -4.475 3.096 284 HD21 ASN 646 HD21 ASN 646 -2.324 -5.490 3.424 285 HD22 ASN 646 HD22 ASN 646 -2.335 -5.781 5.127 286 HA PRO 647 HA PRO 647 -6.706 -6.845 -1.650 287 HB2 PRO 647 HB2 PRO 647 -9.433 -7.701 -0.926 288 HB3 PRO 647 HB1 PRO 647 -8.284 -8.441 -2.042 289 HG2 PRO 647 HG2 PRO 647 -8.860 -9.562 0.324 290 HG3 PRO 647 HG1 PRO 647 -7.231 -9.643 -0.373 291 HD2 PRO 647 HD2 PRO 647 -8.281 -7.862 1.795 292 HD3 PRO 647 HD1 PRO 647 -6.721 -8.703 1.684 293 H GLY 648 HN GLY 648 -7.650 -5.298 -2.906 294 HA2 GLY 648 HA2 GLY 648 -9.392 -3.717 -3.383 295 HA3 GLY 648 HA1 GLY 648 -9.642 -3.533 -1.655 296 H TYR 649 HN TYR 649 -6.398 -3.574 -1.954 297 HA TYR 649 HA TYR 649 -6.280 -0.655 -1.941 298 HB2 TYR 649 HB2 TYR 649 -4.653 -2.835 -0.767 299 HB3 TYR 649 HB1 TYR 649 -3.774 -1.397 -1.275 300 HD1 TYR 649 HD1 TYR 649 -6.445 -2.643 0.952 301 HD2 TYR 649 HD2 TYR 649 -3.915 0.630 -0.038 302 HE1 TYR 649 HE1 TYR 649 -7.078 -1.523 3.050 303 HE2 TYR 649 HE2 TYR 649 -4.538 1.760 2.055 304 HH TYR 649 HH TYR 649 -5.957 0.261 4.598 305 H GLU 650 HN GLU 650 -4.699 0.494 -3.145 306 HA GLU 650 HA GLU 650 -3.309 -0.923 -5.273 307 HB2 GLU 650 HB2 GLU 650 -5.316 1.269 -5.831 308 HB3 GLU 650 HB1 GLU 650 -4.226 0.569 -7.019 309 HG2 GLU 650 HG2 GLU 650 -5.369 -1.673 -6.247 310 HG3 GLU 650 HG1 GLU 650 -6.663 -0.576 -5.766 311 H VAL 651 HN VAL 651 -1.561 0.212 -6.134 312 HA VAL 651 HA VAL 651 -0.227 1.970 -4.431 313 HB VAL 651 HB VAL 651 0.245 1.754 -7.404 314 HG11 VAL 651 HG11 VAL 651 1.722 3.361 -6.827 315 HG12 VAL 651 HG12 VAL 651 2.677 1.984 -6.278 316 HG13 VAL 651 HG13 VAL 651 1.715 2.907 -5.123 317 HG21 VAL 651 HG21 VAL 651 1.939 -0.010 -6.669 318 HG22 VAL 651 HG22 VAL 651 0.239 -0.480 -6.682 319 HG23 VAL 651 HG23 VAL 651 1.032 -0.079 -5.158 320 H ALA 652 HN ALA 652 -0.384 4.084 -4.073 321 HA ALA 652 HA ALA 652 -2.365 5.675 -5.289 322 HB1 ALA 652 HB1 ALA 652 -1.104 5.885 -2.985 323 HB2 ALA 652 HB2 ALA 652 -1.788 7.300 -3.785 324 HB3 ALA 652 HB3 ALA 652 -0.062 6.961 -3.914 325 HA PRO 653 HA PRO 653 -0.307 7.178 -8.900 326 HB2 PRO 653 HB2 PRO 653 -1.608 9.519 -9.278 327 HB3 PRO 653 HB1 PRO 653 -2.373 7.951 -9.564 328 HG2 PRO 653 HG2 PRO 653 -2.593 9.761 -7.189 329 HG3 PRO 653 HG1 PRO 653 -3.868 8.862 -8.032 330 HD2 PRO 653 HD2 PRO 653 -2.749 8.005 -5.712 331 HD3 PRO 653 HD1 PRO 653 -3.370 6.894 -6.949 332 H ARG 654 HN ARG 654 1.172 8.762 -9.647 333 HA ARG 654 HA ARG 654 2.683 10.014 -7.538 334 HB2 ARG 654 HB2 ARG 654 3.057 9.766 -10.514 335 HB3 ARG 654 HB1 ARG 654 4.112 10.775 -9.534 336 HG2 ARG 654 HG2 ARG 654 3.897 8.215 -8.303 337 HG3 ARG 654 HG1 ARG 654 4.286 8.000 -10.010 338 HD2 ARG 654 HD2 ARG 654 6.349 8.855 -9.773 339 HD3 ARG 654 HD1 ARG 654 5.803 10.126 -8.680 340 HE ARG 654 HE ARG 654 6.881 7.562 -7.958 341 HH11 ARG 654 HH11 ARG 654 4.876 10.220 -6.911 342 HH12 ARG 654 HH12 ARG 654 5.109 9.896 -5.227 343 HH21 ARG 654 HH21 ARG 654 7.188 7.135 -5.743 344 HH22 ARG 654 HH22 ARG 654 6.422 8.144 -4.562 345 H SER 655 HN SER 655 0.412 11.001 -9.984 346 HA SER 655 HA SER 655 -0.585 12.988 -10.457 347 HB2 SER 655 HB2 SER 655 -1.123 14.382 -8.663 348 HB3 SER 655 HB1 SER 655 -0.800 12.843 -7.864 349 HG SER 655 HG SER 655 0.859 15.126 -8.024 350 H ASP 656 HN ASP 656 2.216 12.547 -11.193 351 HA ASP 656 HA ASP 656 3.924 13.667 -12.191 352 HB2 ASP 656 HB2 ASP 656 1.736 14.973 -12.985 353 HB3 ASP 656 HB1 ASP 656 2.490 16.274 -12.069 354 H SER 657 HN SER 657 5.702 13.957 -11.035 355 HA SER 657 HA SER 657 7.221 14.805 -9.575 356 HB2 SER 657 HB2 SER 657 7.016 16.942 -10.543 357 HB3 SER 657 HB1 SER 657 5.395 17.178 -9.894 358 HG SER 657 HG SER 657 6.669 18.344 -8.574 359 H GLU 658 HN GLU 658 4.417 16.469 -8.183 360 HA GLU 658 HA GLU 658 4.580 14.681 -5.854 361 HB2 GLU 658 HB2 GLU 658 4.097 16.735 -4.440 362 HB3 GLU 658 HB1 GLU 658 5.717 16.622 -5.116 363 HG2 GLU 658 HG2 GLU 658 5.104 18.180 -6.881 364 HG3 GLU 658 HG1 GLU 658 3.466 18.276 -6.237 Start of MODEL 16 1 H1 SER 610 HT1 SER 610 20.360 -0.880 -2.743 2 H2 SER 610 HT2 SER 610 21.287 -0.148 -3.988 3 H3 SER 610 HT3 SER 610 20.526 -1.662 -4.259 4 HA SER 610 HA SER 610 19.431 0.279 -5.276 5 HB2 SER 610 HB2 SER 610 18.465 -2.044 -4.275 6 HB3 SER 610 HB1 SER 610 17.500 -0.890 -3.354 7 HG SER 610 HG SER 610 17.769 -0.857 -6.178 8 H GLN 611 HN GLN 611 17.279 1.525 -4.477 9 HA GLN 611 HA GLN 611 17.661 2.860 -1.937 10 HB2 GLN 611 HB2 GLN 611 18.649 3.999 -4.396 11 HB3 GLN 611 HB1 GLN 611 17.377 5.013 -3.730 12 HG2 GLN 611 HG2 GLN 611 18.576 5.528 -1.852 13 HG3 GLN 611 HG1 GLN 611 19.530 4.047 -1.921 14 HE21 GLN 611 HE21 GLN 611 19.133 7.268 -3.196 15 HE22 GLN 611 HE22 GLN 611 20.709 7.402 -3.891 16 H MET 612 HN MET 612 15.984 3.230 -5.066 17 HA MET 612 HA MET 612 13.638 4.347 -3.987 18 HB2 MET 612 HB2 MET 612 12.613 3.561 -6.191 19 HB3 MET 612 HB1 MET 612 13.975 4.669 -6.293 20 HG2 MET 612 HG2 MET 612 14.925 1.969 -6.292 21 HG3 MET 612 HG1 MET 612 13.680 2.166 -7.524 22 HE1 MET 612 HE1 MET 612 17.862 2.797 -8.335 23 HE2 MET 612 HE2 MET 612 16.836 1.449 -7.845 24 HE3 MET 612 HE3 MET 612 17.374 2.628 -6.649 25 H SER 613 HN SER 613 14.625 1.026 -4.569 26 HA SER 613 HA SER 613 12.111 -0.185 -4.148 27 HB2 SER 613 HB2 SER 613 13.362 -2.266 -3.879 28 HB3 SER 613 HB1 SER 613 14.018 -1.335 -5.225 29 HG SER 613 HG SER 613 15.108 -1.802 -2.679 30 H ASP 614 HN ASP 614 14.414 1.178 -1.980 31 HA ASP 614 HA ASP 614 13.289 -0.221 0.323 32 HB2 ASP 614 HB2 ASP 614 15.638 1.639 -0.014 33 HB3 ASP 614 HB1 ASP 614 15.052 1.145 1.571 34 H LEU 615 HN LEU 615 11.952 1.982 -1.368 35 HA LEU 615 HA LEU 615 11.416 3.889 0.804 36 HB2 LEU 615 HB2 LEU 615 10.643 4.178 -2.094 37 HB3 LEU 615 HB1 LEU 615 10.625 5.418 -0.857 38 HG LEU 615 HG LEU 615 13.067 4.141 -2.085 39 HD11 LEU 615 HD11 LEU 615 13.507 6.450 -2.853 40 HD12 LEU 615 HD12 LEU 615 11.927 6.926 -2.229 41 HD13 LEU 615 HD13 LEU 615 12.039 5.757 -3.543 42 HD21 LEU 615 HD21 LEU 615 12.693 5.751 0.368 43 HD22 LEU 615 HD22 LEU 615 14.053 6.182 -0.671 44 HD23 LEU 615 HD23 LEU 615 13.919 4.545 -0.024 45 HA PRO 616 HA PRO 616 7.369 2.187 1.302 46 HB2 PRO 616 HB2 PRO 616 6.081 4.271 2.424 47 HB3 PRO 616 HB1 PRO 616 7.338 3.372 3.283 48 HG2 PRO 616 HG2 PRO 616 7.527 5.996 1.852 49 HG3 PRO 616 HG1 PRO 616 8.211 5.524 3.419 50 HD2 PRO 616 HD2 PRO 616 9.658 5.580 1.106 51 HD3 PRO 616 HD1 PRO 616 10.018 4.485 2.456 52 H VAL 617 HN VAL 617 5.605 1.924 0.060 53 HA VAL 617 HA VAL 617 4.975 4.038 -1.895 54 HB VAL 617 HB VAL 617 4.339 1.099 -2.163 55 HG11 VAL 617 HG11 VAL 617 3.857 3.511 -3.796 56 HG12 VAL 617 HG12 VAL 617 2.925 2.020 -3.667 57 HG13 VAL 617 HG13 VAL 617 4.378 2.067 -4.665 58 HG21 VAL 617 HG21 VAL 617 6.700 1.211 -2.182 59 HG22 VAL 617 HG22 VAL 617 6.697 2.683 -3.153 60 HG23 VAL 617 HG23 VAL 617 6.204 1.150 -3.873 61 H LYS 618 HN LYS 618 3.187 5.118 -1.426 62 HA LYS 618 HA LYS 618 1.295 4.355 0.496 63 HB2 LYS 618 HB2 LYS 618 0.773 6.256 -1.787 64 HB3 LYS 618 HB1 LYS 618 0.030 6.259 -0.193 65 HG2 LYS 618 HG2 LYS 618 1.533 7.784 0.382 66 HG3 LYS 618 HG1 LYS 618 2.735 6.492 0.333 67 HD2 LYS 618 HD2 LYS 618 3.676 8.065 -1.068 68 HD3 LYS 618 HD1 LYS 618 2.813 7.033 -2.212 69 HE2 LYS 618 HE2 LYS 618 0.888 8.637 -2.050 70 HE3 LYS 618 HE1 LYS 618 1.943 9.704 -1.124 71 HZ1 LYS 618 HZ1 LYS 618 3.403 9.082 -3.344 72 HZ2 LYS 618 HZ2 LYS 618 2.556 10.523 -3.083 73 HZ3 LYS 618 HZ3 LYS 618 1.832 9.262 -3.948 74 H VAL 619 HN VAL 619 -1.143 4.298 -0.094 75 HA VAL 619 HA VAL 619 -1.786 2.939 -2.554 76 HB VAL 619 HB VAL 619 -2.819 0.979 -1.317 77 HG11 VAL 619 HG11 VAL 619 -0.994 -0.313 -1.757 78 HG12 VAL 619 HG12 VAL 619 0.130 0.819 -1.003 79 HG13 VAL 619 HG13 VAL 619 -0.523 1.160 -2.606 80 HG21 VAL 619 HG21 VAL 619 -2.021 0.395 0.842 81 HG22 VAL 619 HG22 VAL 619 -2.564 2.070 0.938 82 HG23 VAL 619 HG23 VAL 619 -0.842 1.706 0.832 83 H ILE 620 HN ILE 620 -4.092 2.526 -2.775 84 HA ILE 620 HA ILE 620 -5.731 4.153 -0.947 85 HB ILE 620 HB ILE 620 -5.392 5.336 -3.069 86 HG12 ILE 620 HG12 ILE 620 -7.654 5.199 -1.719 87 HG13 ILE 620 HG11 ILE 620 -7.574 6.059 -3.251 88 HG21 ILE 620 HG21 ILE 620 -6.750 2.979 -4.368 89 HG22 ILE 620 HG22 ILE 620 -5.032 3.363 -4.484 90 HG23 ILE 620 HG23 ILE 620 -6.231 4.464 -5.165 91 HD11 ILE 620 HD11 ILE 620 -8.464 4.019 -4.363 92 HD12 ILE 620 HD12 ILE 620 -9.569 4.760 -3.207 93 HD13 ILE 620 HD13 ILE 620 -8.679 3.305 -2.766 94 H HIS 621 HN HIS 621 -7.416 3.126 -0.092 95 HA HIS 621 HA HIS 621 -8.013 0.421 -0.968 96 HB2 HIS 621 HB2 HIS 621 -7.744 1.212 1.474 97 HB3 HIS 621 HB1 HIS 621 -9.366 1.861 1.299 98 HD1 HIS 621 HD1 HIS 621 -10.426 0.236 2.958 99 HD2 HIS 621 HD2 HIS 621 -8.468 -1.645 -0.185 100 HE1 HIS 621 HE1 HIS 621 -11.104 -2.181 3.094 101 HE2 HIS 621 HE2 HIS 621 -10.000 -3.275 1.112 102 H VAL 622 HN VAL 622 -9.716 -0.121 -2.189 103 HA VAL 622 HA VAL 622 -11.572 1.961 -3.005 104 HB VAL 622 HB VAL 622 -11.455 -0.905 -3.949 105 HG11 VAL 622 HG11 VAL 622 -12.917 1.542 -4.854 106 HG12 VAL 622 HG12 VAL 622 -13.519 -0.099 -4.617 107 HG13 VAL 622 HG13 VAL 622 -12.502 0.276 -6.008 108 HG21 VAL 622 HG21 VAL 622 -9.440 0.892 -4.261 109 HG22 VAL 622 HG22 VAL 622 -10.410 1.205 -5.701 110 HG23 VAL 622 HG23 VAL 622 -9.797 -0.418 -5.386 111 H GLU 623 HN GLU 623 -11.519 -0.909 -1.037 112 HA GLU 623 HA GLU 623 -14.317 -1.342 -0.914 113 HB2 GLU 623 HB2 GLU 623 -12.128 -2.735 -0.090 114 HB3 GLU 623 HB1 GLU 623 -12.728 -2.118 1.444 115 HG2 GLU 623 HG2 GLU 623 -14.438 -3.608 -0.530 116 HG3 GLU 623 HG1 GLU 623 -13.565 -4.383 0.792 117 H SER 624 HN SER 624 -12.082 0.598 1.004 118 HA SER 624 HA SER 624 -14.384 1.613 2.539 119 HB2 SER 624 HB2 SER 624 -12.355 0.415 3.695 120 HB3 SER 624 HB1 SER 624 -11.562 1.974 3.474 121 HG SER 624 HG SER 624 -13.474 2.878 4.541 122 H GLY 625 HN GLY 625 -11.777 2.452 0.420 123 HA2 GLY 625 HA2 GLY 625 -11.683 4.443 -0.827 124 HA3 GLY 625 HA1 GLY 625 -12.788 5.186 0.318 125 H LYS 626 HN LYS 626 -10.793 3.903 2.406 126 HA LYS 626 HA LYS 626 -9.397 6.321 2.917 127 HB2 LYS 626 HB2 LYS 626 -10.115 4.203 4.443 128 HB3 LYS 626 HB1 LYS 626 -8.412 3.843 4.193 129 HG2 LYS 626 HG2 LYS 626 -7.770 5.417 5.624 130 HG3 LYS 626 HG1 LYS 626 -8.842 6.619 4.904 131 HD2 LYS 626 HD2 LYS 626 -10.393 6.339 6.494 132 HD3 LYS 626 HD1 LYS 626 -10.273 4.580 6.419 133 HE2 LYS 626 HE2 LYS 626 -9.592 5.143 8.593 134 HE3 LYS 626 HE1 LYS 626 -8.097 4.833 7.713 135 HZ1 LYS 626 HZ1 LYS 626 -7.533 6.791 8.652 136 HZ2 LYS 626 HZ2 LYS 626 -9.130 7.330 8.795 137 HZ3 LYS 626 HZ3 LYS 626 -8.333 7.433 7.307 138 H ILE 627 HN ILE 627 -7.240 6.833 2.694 139 HA ILE 627 HA ILE 627 -5.653 5.009 1.004 140 HB ILE 627 HB ILE 627 -5.450 8.018 0.995 141 HG12 ILE 627 HG12 ILE 627 -6.481 6.942 -1.458 142 HG13 ILE 627 HG11 ILE 627 -7.499 6.409 -0.125 143 HG21 ILE 627 HG21 ILE 627 -4.493 6.176 -1.156 144 HG22 ILE 627 HG22 ILE 627 -3.514 6.452 0.285 145 HG23 ILE 627 HG23 ILE 627 -3.954 7.806 -0.756 146 HD11 ILE 627 HD11 ILE 627 -8.306 8.469 0.249 147 HD12 ILE 627 HD12 ILE 627 -7.812 8.737 -1.423 148 HD13 ILE 627 HD13 ILE 627 -6.767 9.255 -0.100 149 H LEU 628 HN LEU 628 -3.758 4.374 1.819 150 HA LEU 628 HA LEU 628 -2.811 5.620 4.281 151 HB2 LEU 628 HB2 LEU 628 -1.690 3.163 2.946 152 HB3 LEU 628 HB1 LEU 628 -1.470 3.677 4.607 153 HG LEU 628 HG LEU 628 -4.226 3.047 3.640 154 HD11 LEU 628 HD11 LEU 628 -2.758 1.176 2.922 155 HD12 LEU 628 HD12 LEU 628 -3.953 0.717 4.136 156 HD13 LEU 628 HD13 LEU 628 -2.271 0.967 4.604 157 HD21 LEU 628 HD21 LEU 628 -4.494 2.354 5.981 158 HD22 LEU 628 HD22 LEU 628 -3.948 4.025 5.845 159 HD23 LEU 628 HD23 LEU 628 -2.804 2.756 6.284 160 H THR 629 HN THR 629 -0.974 6.787 4.438 161 HA THR 629 HA THR 629 0.388 7.482 1.973 162 HB THR 629 HB THR 629 1.069 9.395 3.003 163 HG1 THR 629 HG1 THR 629 2.115 9.412 4.839 164 HG21 THR 629 HG21 THR 629 -0.802 8.852 5.248 165 HG22 THR 629 HG22 THR 629 -1.432 8.980 3.605 166 HG23 THR 629 HG23 THR 629 -0.547 10.329 4.320 167 H GLY 630 HN GLY 630 2.825 7.663 2.033 168 HA2 GLY 630 HA2 GLY 630 4.006 5.188 2.218 169 HA3 GLY 630 HA1 GLY 630 4.897 6.700 2.262 170 H THR 631 HN THR 631 3.400 7.420 4.801 171 HA THR 631 HA THR 631 5.366 6.497 6.605 172 HB THR 631 HB THR 631 4.013 8.634 6.781 173 HG1 THR 631 HG1 THR 631 4.087 7.005 9.099 174 HG21 THR 631 HG21 THR 631 1.916 8.703 7.743 175 HG22 THR 631 HG22 THR 631 2.010 7.036 8.314 176 HG23 THR 631 HG23 THR 631 1.778 7.370 6.598 177 H ASP 632 HN ASP 632 1.996 5.529 6.081 178 HA ASP 632 HA ASP 632 2.315 3.369 8.033 179 HB2 ASP 632 HB2 ASP 632 0.082 4.963 7.080 180 HB3 ASP 632 HB1 ASP 632 -0.278 3.241 7.009 181 H ALA 633 HN ALA 633 2.252 3.936 4.649 182 HA ALA 633 HA ALA 633 1.309 1.479 3.697 183 HB1 ALA 633 HB1 ALA 633 1.874 2.245 1.645 184 HB2 ALA 633 HB2 ALA 633 3.465 2.796 2.167 185 HB3 ALA 633 HB3 ALA 633 2.038 3.770 2.516 186 HA PRO 634 HA PRO 634 4.619 -1.315 4.585 187 HB2 PRO 634 HB2 PRO 634 4.247 -3.172 2.674 188 HB3 PRO 634 HB1 PRO 634 3.097 -2.954 4.000 189 HG2 PRO 634 HG2 PRO 634 2.950 -1.943 1.184 190 HG3 PRO 634 HG1 PRO 634 1.680 -2.694 2.168 191 HD2 PRO 634 HD2 PRO 634 1.892 -0.004 1.818 192 HD3 PRO 634 HD1 PRO 634 1.217 -0.739 3.286 193 H LYS 635 HN LYS 635 6.589 -2.261 3.696 194 HA LYS 635 HA LYS 635 7.958 -0.441 1.971 195 HB2 LYS 635 HB2 LYS 635 8.784 -3.110 3.126 196 HB3 LYS 635 HB1 LYS 635 9.856 -2.056 2.214 197 HG2 LYS 635 HG2 LYS 635 9.475 -0.289 3.920 198 HG3 LYS 635 HG1 LYS 635 8.550 -1.463 4.860 199 HD2 LYS 635 HD2 LYS 635 10.429 -2.770 5.302 200 HD3 LYS 635 HD1 LYS 635 11.345 -2.071 3.966 201 HE2 LYS 635 HE2 LYS 635 12.333 -0.946 5.672 202 HE3 LYS 635 HE1 LYS 635 10.975 0.143 5.395 203 HZ1 LYS 635 HZ1 LYS 635 10.951 -2.051 7.393 204 HZ2 LYS 635 HZ2 LYS 635 9.795 -0.832 7.202 205 HZ3 LYS 635 HZ3 LYS 635 11.344 -0.446 7.759 206 H ALA 636 HN ALA 636 9.351 -1.416 0.130 207 HA ALA 636 HA ALA 636 7.613 -2.263 -1.906 208 HB1 ALA 636 HB1 ALA 636 10.571 -2.675 -2.077 209 HB2 ALA 636 HB2 ALA 636 9.891 -1.048 -2.054 210 HB3 ALA 636 HB3 ALA 636 9.437 -2.176 -3.331 211 H GLY 637 HN GLY 637 9.847 -4.053 0.158 212 HA2 GLY 637 HA2 GLY 637 9.550 -6.526 -1.250 213 HA3 GLY 637 HA1 GLY 637 10.289 -6.309 0.327 214 H GLN 638 HN GLN 638 7.981 -5.110 1.580 215 HA GLN 638 HA GLN 638 6.454 -7.562 1.996 216 HB2 GLN 638 HB2 GLN 638 6.969 -5.098 3.590 217 HB3 GLN 638 HB1 GLN 638 5.488 -5.994 3.904 218 HG2 GLN 638 HG2 GLN 638 7.026 -8.046 4.098 219 HG3 GLN 638 HG1 GLN 638 8.327 -6.866 4.258 220 HE21 GLN 638 HE21 GLN 638 7.301 -4.926 5.765 221 HE22 GLN 638 HE22 GLN 638 6.828 -5.518 7.316 222 H LEU 639 HN LEU 639 6.132 -4.872 0.092 223 HA LEU 639 HA LEU 639 3.484 -4.065 0.473 224 HB2 LEU 639 HB2 LEU 639 4.991 -2.794 -0.914 225 HB3 LEU 639 HB1 LEU 639 5.162 -4.133 -2.031 226 HG LEU 639 HG LEU 639 2.596 -3.856 -2.372 227 HD11 LEU 639 HD11 LEU 639 1.781 -2.315 -0.939 228 HD12 LEU 639 HD12 LEU 639 2.298 -1.196 -2.201 229 HD13 LEU 639 HD13 LEU 639 3.324 -1.473 -0.792 230 HD21 LEU 639 HD21 LEU 639 4.113 -3.476 -4.156 231 HD22 LEU 639 HD22 LEU 639 4.687 -1.972 -3.436 232 HD23 LEU 639 HD23 LEU 639 3.048 -2.073 -4.080 233 H GLU 640 HN GLU 640 4.792 -6.519 -1.755 234 HA GLU 640 HA GLU 640 2.436 -7.306 -2.959 235 HB2 GLU 640 HB2 GLU 640 4.963 -8.789 -2.310 236 HB3 GLU 640 HB1 GLU 640 3.620 -9.610 -3.093 237 HG2 GLU 640 HG2 GLU 640 3.833 -7.429 -4.662 238 HG3 GLU 640 HG1 GLU 640 5.511 -7.629 -4.158 239 H ALA 641 HN ALA 641 3.844 -8.469 0.066 240 HA ALA 641 HA ALA 641 1.821 -10.398 0.578 241 HB1 ALA 641 HB1 ALA 641 2.810 -9.962 3.027 242 HB2 ALA 641 HB2 ALA 641 4.106 -9.256 2.063 243 HB3 ALA 641 HB3 ALA 641 3.638 -10.939 1.815 244 H TRP 642 HN TRP 642 2.267 -7.023 1.452 245 HA TRP 642 HA TRP 642 0.146 -6.880 3.324 246 HB2 TRP 642 HB2 TRP 642 2.048 -5.218 3.037 247 HB3 TRP 642 HB1 TRP 642 1.172 -4.590 1.644 248 HD1 TRP 642 HD1 TRP 642 1.268 -4.440 5.403 249 HE1 TRP 642 HE1 TRP 642 -0.546 -2.818 6.245 250 HE3 TRP 642 HE3 TRP 642 -1.288 -3.739 1.032 251 HZ2 TRP 642 HZ2 TRP 642 -2.764 -1.425 5.195 252 HZ3 TRP 642 HZ3 TRP 642 -3.243 -2.247 1.036 253 HH2 TRP 642 HH2 TRP 642 -3.966 -1.115 3.074 254 H LEU 643 HN LEU 643 0.348 -6.282 -0.153 255 HA LEU 643 HA LEU 643 -2.297 -5.317 -0.453 256 HB2 LEU 643 HB2 LEU 643 -0.199 -6.372 -2.298 257 HB3 LEU 643 HB1 LEU 643 -1.839 -6.207 -2.896 258 HG LEU 643 HG LEU 643 -0.191 -3.963 -1.727 259 HD11 LEU 643 HD11 LEU 643 0.799 -4.492 -3.789 260 HD12 LEU 643 HD12 LEU 643 -0.292 -3.149 -4.130 261 HD13 LEU 643 HD13 LEU 643 -0.761 -4.796 -4.555 262 HD21 LEU 643 HD21 LEU 643 -2.282 -3.165 -1.381 263 HD22 LEU 643 HD22 LEU 643 -3.006 -4.217 -2.597 264 HD23 LEU 643 HD23 LEU 643 -2.149 -2.757 -3.091 265 H GLU 644 HN GLU 644 -0.837 -8.526 -0.790 266 HA GLU 644 HA GLU 644 -3.121 -9.884 -1.691 267 HB2 GLU 644 HB2 GLU 644 -0.561 -10.664 -0.391 268 HB3 GLU 644 HB1 GLU 644 -1.866 -11.843 -0.369 269 HG2 GLU 644 HG2 GLU 644 -2.030 -11.524 -2.866 270 HG3 GLU 644 HG1 GLU 644 -0.522 -10.616 -2.758 271 H MET 645 HN MET 645 -1.950 -9.163 1.560 272 HA MET 645 HA MET 645 -4.040 -10.628 2.868 273 HB2 MET 645 HB2 MET 645 -1.604 -9.441 3.628 274 HB3 MET 645 HB1 MET 645 -2.849 -8.600 4.541 275 HG2 MET 645 HG2 MET 645 -3.000 -11.552 4.459 276 HG3 MET 645 HG1 MET 645 -1.688 -10.834 5.391 277 HE1 MET 645 HE1 MET 645 -3.325 -12.612 6.960 278 HE2 MET 645 HE2 MET 645 -4.057 -11.719 8.293 279 HE3 MET 645 HE3 MET 645 -2.361 -11.460 7.884 280 H ASN 646 HN ASN 646 -3.475 -7.271 1.972 281 HA ASN 646 HA ASN 646 -6.131 -6.568 3.023 282 HB2 ASN 646 HB2 ASN 646 -3.879 -4.710 2.230 283 HB3 ASN 646 HB1 ASN 646 -5.393 -4.249 3.000 284 HD21 ASN 646 HD21 ASN 646 -2.239 -5.520 3.443 285 HD22 ASN 646 HD22 ASN 646 -2.284 -5.629 5.168 286 HA PRO 647 HA PRO 647 -6.721 -6.737 -1.562 287 HB2 PRO 647 HB2 PRO 647 -9.291 -7.615 -1.426 288 HB3 PRO 647 HB1 PRO 647 -7.897 -8.701 -1.386 289 HG2 PRO 647 HG2 PRO 647 -9.552 -7.658 0.880 290 HG3 PRO 647 HG1 PRO 647 -8.936 -9.299 0.607 291 HD2 PRO 647 HD2 PRO 647 -7.748 -7.577 2.316 292 HD3 PRO 647 HD1 PRO 647 -6.826 -8.772 1.380 293 H GLY 648 HN GLY 648 -7.775 -5.275 -2.861 294 HA2 GLY 648 HA2 GLY 648 -9.540 -3.706 -3.304 295 HA3 GLY 648 HA1 GLY 648 -9.673 -3.431 -1.574 296 H TYR 649 HN TYR 649 -6.608 -3.375 -1.525 297 HA TYR 649 HA TYR 649 -6.405 -0.522 -1.884 298 HB2 TYR 649 HB2 TYR 649 -4.674 -2.656 -0.714 299 HB3 TYR 649 HB1 TYR 649 -3.935 -1.125 -1.170 300 HD1 TYR 649 HD1 TYR 649 -6.500 -2.676 0.992 301 HD2 TYR 649 HD2 TYR 649 -4.220 0.816 0.160 302 HE1 TYR 649 HE1 TYR 649 -7.222 -1.703 3.133 303 HE2 TYR 649 HE2 TYR 649 -4.932 1.801 2.299 304 HH TYR 649 HH TYR 649 -5.849 1.254 4.370 305 H GLU 650 HN GLU 650 -4.914 0.554 -3.214 306 HA GLU 650 HA GLU 650 -3.572 -1.007 -5.289 307 HB2 GLU 650 HB2 GLU 650 -5.568 1.199 -5.822 308 HB3 GLU 650 HB1 GLU 650 -4.447 0.587 -7.031 309 HG2 GLU 650 HG2 GLU 650 -6.026 -1.485 -5.701 310 HG3 GLU 650 HG1 GLU 650 -6.976 -0.323 -6.625 311 H VAL 651 HN VAL 651 -1.920 0.191 -6.423 312 HA VAL 651 HA VAL 651 -0.299 1.742 -4.792 313 HB VAL 651 HB VAL 651 -0.304 1.870 -7.808 314 HG11 VAL 651 HG11 VAL 651 1.119 3.487 -6.510 315 HG12 VAL 651 HG12 VAL 651 1.994 2.438 -7.624 316 HG13 VAL 651 HG13 VAL 651 2.009 2.095 -5.894 317 HG21 VAL 651 HG21 VAL 651 -0.256 -0.425 -7.397 318 HG22 VAL 651 HG22 VAL 651 0.708 -0.240 -5.933 319 HG23 VAL 651 HG23 VAL 651 1.449 0.010 -7.514 320 H ALA 652 HN ALA 652 -0.294 3.819 -4.197 321 HA ALA 652 HA ALA 652 -2.184 5.638 -5.516 322 HB1 ALA 652 HB1 ALA 652 -1.767 7.028 -3.406 323 HB2 ALA 652 HB2 ALA 652 -0.997 5.577 -2.763 324 HB3 ALA 652 HB3 ALA 652 -2.695 5.537 -3.240 325 HA PRO 653 HA PRO 653 1.622 7.379 -7.298 326 HB2 PRO 653 HB2 PRO 653 -0.333 9.087 -8.704 327 HB3 PRO 653 HB1 PRO 653 0.931 8.047 -9.366 328 HG2 PRO 653 HG2 PRO 653 -1.660 7.393 -9.561 329 HG3 PRO 653 HG1 PRO 653 -0.406 6.163 -9.313 330 HD2 PRO 653 HD2 PRO 653 -2.302 7.363 -7.330 331 HD3 PRO 653 HD1 PRO 653 -1.776 5.676 -7.508 332 H ARG 654 HN ARG 654 2.598 9.478 -7.264 333 HA ARG 654 HA ARG 654 2.021 10.972 -4.941 334 HB2 ARG 654 HB2 ARG 654 3.799 11.536 -7.312 335 HB3 ARG 654 HB1 ARG 654 3.701 12.602 -5.917 336 HG2 ARG 654 HG2 ARG 654 4.233 10.399 -4.595 337 HG3 ARG 654 HG1 ARG 654 4.887 9.885 -6.152 338 HD2 ARG 654 HD2 ARG 654 6.433 11.678 -6.197 339 HD3 ARG 654 HD1 ARG 654 5.636 12.491 -4.851 340 HE ARG 654 HE ARG 654 6.870 11.216 -3.423 341 HH11 ARG 654 HH11 ARG 654 6.833 9.646 -6.539 342 HH12 ARG 654 HH12 ARG 654 7.951 8.410 -6.069 343 HH21 ARG 654 HH21 ARG 654 8.340 9.591 -2.803 344 HH22 ARG 654 HH22 ARG 654 8.806 8.378 -3.949 345 H SER 655 HN SER 655 0.257 12.178 -4.713 346 HA SER 655 HA SER 655 -0.507 13.956 -6.936 347 HB2 SER 655 HB2 SER 655 -2.861 13.754 -5.774 348 HB3 SER 655 HB1 SER 655 -2.317 12.509 -6.898 349 HG SER 655 HG SER 655 -3.178 11.733 -4.850 350 H ASP 656 HN ASP 656 1.310 14.554 -4.789 351 HA ASP 656 HA ASP 656 0.126 15.960 -2.678 352 HB2 ASP 656 HB2 ASP 656 2.776 15.592 -3.752 353 HB3 ASP 656 HB1 ASP 656 2.541 17.276 -3.295 354 H SER 657 HN SER 657 0.772 16.869 -5.987 355 HA SER 657 HA SER 657 0.052 19.649 -5.476 356 HB2 SER 657 HB2 SER 657 0.465 19.793 -8.031 357 HB3 SER 657 HB1 SER 657 1.854 19.531 -6.975 358 HG SER 657 HG SER 657 0.432 17.519 -8.386 359 H GLU 658 HN GLU 658 -1.933 20.418 -5.754 360 HA GLU 658 HA GLU 658 -4.133 20.580 -6.311 361 HB2 GLU 658 HB2 GLU 658 -3.264 18.901 -8.671 362 HB3 GLU 658 HB1 GLU 658 -4.812 19.724 -8.536 363 HG2 GLU 658 HG2 GLU 658 -3.068 21.762 -8.083 364 HG3 GLU 658 HG1 GLU 658 -2.174 20.771 -9.234 Start of MODEL 17 1 H1 SER 610 HT1 SER 610 19.351 6.166 1.360 2 H2 SER 610 HT2 SER 610 18.799 5.044 2.535 3 H3 SER 610 HT3 SER 610 18.937 6.708 2.931 4 HA SER 610 HA SER 610 16.709 6.375 2.608 5 HB2 SER 610 HB2 SER 610 16.438 7.463 0.215 6 HB3 SER 610 HB1 SER 610 17.185 8.371 1.529 7 HG SER 610 HG SER 610 18.845 8.519 0.265 8 H GLN 611 HN GLN 611 18.424 5.105 -0.247 9 HA GLN 611 HA GLN 611 17.965 3.383 -1.662 10 HB2 GLN 611 HB2 GLN 611 16.780 2.494 0.921 11 HB3 GLN 611 HB1 GLN 611 16.360 1.584 -0.524 12 HG2 GLN 611 HG2 GLN 611 18.760 1.250 -0.975 13 HG3 GLN 611 HG1 GLN 611 19.133 2.089 0.530 14 HE21 GLN 611 HE21 GLN 611 19.530 -0.729 -0.464 15 HE22 GLN 611 HE22 GLN 611 18.894 -1.721 0.800 16 H MET 612 HN MET 612 16.823 4.363 -3.269 17 HA MET 612 HA MET 612 14.109 5.159 -3.036 18 HB2 MET 612 HB2 MET 612 16.105 4.963 -5.229 19 HB3 MET 612 HB1 MET 612 14.410 5.016 -5.692 20 HG2 MET 612 HG2 MET 612 14.714 7.228 -5.660 21 HG3 MET 612 HG1 MET 612 14.501 7.049 -3.919 22 HE1 MET 612 HE1 MET 612 17.263 9.726 -3.987 23 HE2 MET 612 HE2 MET 612 16.070 9.050 -2.878 24 HE3 MET 612 HE3 MET 612 15.592 9.516 -4.510 25 H SER 613 HN SER 613 15.685 2.201 -3.992 26 HA SER 613 HA SER 613 13.408 1.027 -5.252 27 HB2 SER 613 HB2 SER 613 16.120 0.125 -4.445 28 HB3 SER 613 HB1 SER 613 14.889 -1.124 -4.625 29 HG SER 613 HG SER 613 15.812 -0.860 -6.611 30 H ASP 614 HN ASP 614 14.526 1.291 -1.977 31 HA ASP 614 HA ASP 614 12.501 -0.648 -1.098 32 HB2 ASP 614 HB2 ASP 614 15.162 0.036 -0.164 33 HB3 ASP 614 HB1 ASP 614 13.982 0.129 1.139 34 H LEU 615 HN LEU 615 12.222 2.319 -1.891 35 HA LEU 615 HA LEU 615 11.521 3.722 0.475 36 HB2 LEU 615 HB2 LEU 615 11.132 4.137 -2.445 37 HB3 LEU 615 HB1 LEU 615 10.116 5.053 -1.350 38 HG LEU 615 HG LEU 615 13.132 5.071 -1.273 39 HD11 LEU 615 HD11 LEU 615 12.991 7.263 -2.310 40 HD12 LEU 615 HD12 LEU 615 11.238 7.112 -2.427 41 HD13 LEU 615 HD13 LEU 615 12.280 6.037 -3.358 42 HD21 LEU 615 HD21 LEU 615 11.987 5.585 0.860 43 HD22 LEU 615 HD22 LEU 615 11.121 6.889 0.047 44 HD23 LEU 615 HD23 LEU 615 12.876 6.959 0.205 45 HA PRO 616 HA PRO 616 7.432 2.272 1.258 46 HB2 PRO 616 HB2 PRO 616 6.151 4.476 2.128 47 HB3 PRO 616 HB1 PRO 616 7.445 3.714 3.061 48 HG2 PRO 616 HG2 PRO 616 7.554 6.122 1.286 49 HG3 PRO 616 HG1 PRO 616 8.294 5.871 2.877 50 HD2 PRO 616 HD2 PRO 616 9.663 5.628 0.527 51 HD3 PRO 616 HD1 PRO 616 10.086 4.734 2.001 52 H VAL 617 HN VAL 617 5.567 1.880 0.187 53 HA VAL 617 HA VAL 617 4.868 3.695 -2.029 54 HB VAL 617 HB VAL 617 4.311 0.730 -1.900 55 HG11 VAL 617 HG11 VAL 617 3.994 2.788 -4.077 56 HG12 VAL 617 HG12 VAL 617 2.727 1.842 -3.295 57 HG13 VAL 617 HG13 VAL 617 3.897 1.047 -4.348 58 HG21 VAL 617 HG21 VAL 617 6.787 1.822 -2.221 59 HG22 VAL 617 HG22 VAL 617 6.231 1.704 -3.890 60 HG23 VAL 617 HG23 VAL 617 6.280 0.264 -2.873 61 H LYS 618 HN LYS 618 3.071 4.797 -1.634 62 HA LYS 618 HA LYS 618 1.254 4.228 0.429 63 HB2 LYS 618 HB2 LYS 618 1.061 5.988 -2.008 64 HB3 LYS 618 HB1 LYS 618 -0.248 5.863 -0.842 65 HG2 LYS 618 HG2 LYS 618 0.781 7.625 0.088 66 HG3 LYS 618 HG1 LYS 618 1.800 6.380 0.813 67 HD2 LYS 618 HD2 LYS 618 3.506 7.514 -0.093 68 HD3 LYS 618 HD1 LYS 618 3.001 6.762 -1.611 69 HE2 LYS 618 HE2 LYS 618 1.527 9.197 -0.900 70 HE3 LYS 618 HE1 LYS 618 3.247 9.445 -1.201 71 HZ1 LYS 618 HZ1 LYS 618 1.733 9.631 -3.183 72 HZ2 LYS 618 HZ2 LYS 618 1.500 7.959 -3.075 73 HZ3 LYS 618 HZ3 LYS 618 3.046 8.580 -3.363 74 H VAL 619 HN VAL 619 -1.165 4.016 -0.012 75 HA VAL 619 HA VAL 619 -1.899 2.449 -2.306 76 HB VAL 619 HB VAL 619 -2.709 0.510 -1.015 77 HG11 VAL 619 HG11 VAL 619 -0.666 -0.631 -0.950 78 HG12 VAL 619 HG12 VAL 619 0.234 0.830 -0.542 79 HG13 VAL 619 HG13 VAL 619 -0.443 0.634 -2.158 80 HG21 VAL 619 HG21 VAL 619 -2.749 1.806 1.174 81 HG22 VAL 619 HG22 VAL 619 -1.018 1.486 1.268 82 HG23 VAL 619 HG23 VAL 619 -2.162 0.145 1.246 83 H ILE 620 HN ILE 620 -4.133 2.339 -2.615 84 HA ILE 620 HA ILE 620 -5.756 3.787 -0.625 85 HB ILE 620 HB ILE 620 -5.333 5.196 -2.587 86 HG12 ILE 620 HG12 ILE 620 -7.630 4.973 -1.290 87 HG13 ILE 620 HG11 ILE 620 -7.472 6.033 -2.685 88 HG21 ILE 620 HG21 ILE 620 -6.185 4.613 -4.779 89 HG22 ILE 620 HG22 ILE 620 -6.757 3.061 -4.167 90 HG23 ILE 620 HG23 ILE 620 -5.028 3.401 -4.228 91 HD11 ILE 620 HD11 ILE 620 -9.529 4.803 -2.821 92 HD12 ILE 620 HD12 ILE 620 -8.670 3.273 -2.652 93 HD13 ILE 620 HD13 ILE 620 -8.441 4.258 -4.096 94 H HIS 621 HN HIS 621 -7.488 2.752 0.082 95 HA HIS 621 HA HIS 621 -8.180 0.169 -1.023 96 HB2 HIS 621 HB2 HIS 621 -8.084 0.956 1.494 97 HB3 HIS 621 HB1 HIS 621 -9.732 1.472 1.176 98 HD1 HIS 621 HD1 HIS 621 -9.428 -0.655 3.231 99 HD2 HIS 621 HD2 HIS 621 -9.785 -1.530 -0.815 100 HE1 HIS 621 HE1 HIS 621 -10.262 -3.024 3.126 101 HE2 HIS 621 HE2 HIS 621 -10.396 -3.558 0.668 102 H VAL 622 HN VAL 622 -9.897 -0.273 -2.289 103 HA VAL 622 HA VAL 622 -11.530 1.946 -3.207 104 HB VAL 622 HB VAL 622 -11.645 -0.930 -4.118 105 HG11 VAL 622 HG11 VAL 622 -12.267 1.287 -5.950 106 HG12 VAL 622 HG12 VAL 622 -13.405 1.059 -4.621 107 HG13 VAL 622 HG13 VAL 622 -13.069 -0.269 -5.734 108 HG21 VAL 622 HG21 VAL 622 -10.317 0.313 -6.095 109 HG22 VAL 622 HG22 VAL 622 -9.518 -0.533 -4.770 110 HG23 VAL 622 HG23 VAL 622 -9.711 1.219 -4.709 111 H GLU 623 HN GLU 623 -11.820 -0.921 -1.245 112 HA GLU 623 HA GLU 623 -14.650 -1.084 -1.230 113 HB2 GLU 623 HB2 GLU 623 -12.633 -2.681 -0.332 114 HB3 GLU 623 HB1 GLU 623 -13.240 -2.020 1.181 115 HG2 GLU 623 HG2 GLU 623 -15.426 -2.870 0.760 116 HG3 GLU 623 HG1 GLU 623 -14.984 -3.342 -0.880 117 H SER 624 HN SER 624 -12.310 0.622 0.781 118 HA SER 624 HA SER 624 -14.544 1.812 2.287 119 HB2 SER 624 HB2 SER 624 -11.767 1.058 3.029 120 HB3 SER 624 HB1 SER 624 -12.420 2.520 3.769 121 HG SER 624 HG SER 624 -12.919 0.737 5.048 122 H GLY 625 HN GLY 625 -11.913 2.477 0.143 123 HA2 GLY 625 HA2 GLY 625 -11.629 4.423 -1.113 124 HA3 GLY 625 HA1 GLY 625 -12.795 5.231 -0.079 125 H LYS 626 HN LYS 626 -10.859 3.891 2.114 126 HA LYS 626 HA LYS 626 -9.531 6.324 2.727 127 HB2 LYS 626 HB2 LYS 626 -10.110 3.910 4.057 128 HB3 LYS 626 HB1 LYS 626 -8.359 4.062 4.079 129 HG2 LYS 626 HG2 LYS 626 -8.855 6.492 4.872 130 HG3 LYS 626 HG1 LYS 626 -10.430 5.824 5.305 131 HD2 LYS 626 HD2 LYS 626 -9.412 4.202 6.749 132 HD3 LYS 626 HD1 LYS 626 -7.797 4.656 6.201 133 HE2 LYS 626 HE2 LYS 626 -8.054 6.857 7.188 134 HE3 LYS 626 HE1 LYS 626 -9.706 6.472 7.671 135 HZ1 LYS 626 HZ1 LYS 626 -7.173 5.416 8.755 136 HZ2 LYS 626 HZ2 LYS 626 -8.616 4.554 8.944 137 HZ3 LYS 626 HZ3 LYS 626 -8.474 6.114 9.582 138 H ILE 627 HN ILE 627 -7.268 6.732 2.815 139 HA ILE 627 HA ILE 627 -5.648 5.038 1.029 140 HB ILE 627 HB ILE 627 -5.428 8.042 1.153 141 HG12 ILE 627 HG12 ILE 627 -6.408 7.059 -1.369 142 HG13 ILE 627 HG11 ILE 627 -7.477 6.529 -0.075 143 HG21 ILE 627 HG21 ILE 627 -4.019 5.873 -0.270 144 HG22 ILE 627 HG22 ILE 627 -3.430 7.439 0.286 145 HG23 ILE 627 HG23 ILE 627 -4.367 7.328 -1.204 146 HD11 ILE 627 HD11 ILE 627 -6.865 9.249 0.387 147 HD12 ILE 627 HD12 ILE 627 -8.412 8.525 -0.052 148 HD13 ILE 627 HD13 ILE 627 -7.305 9.071 -1.312 149 H LEU 628 HN LEU 628 -3.580 4.630 1.659 150 HA LEU 628 HA LEU 628 -2.793 5.687 4.282 151 HB2 LEU 628 HB2 LEU 628 -1.723 3.247 2.865 152 HB3 LEU 628 HB1 LEU 628 -1.369 3.743 4.508 153 HG LEU 628 HG LEU 628 -4.145 3.012 3.594 154 HD11 LEU 628 HD11 LEU 628 -2.517 1.135 3.298 155 HD12 LEU 628 HD12 LEU 628 -3.814 0.815 4.449 156 HD13 LEU 628 HD13 LEU 628 -2.199 1.219 5.030 157 HD21 LEU 628 HD21 LEU 628 -3.433 4.366 5.788 158 HD22 LEU 628 HD22 LEU 628 -3.218 2.720 6.385 159 HD23 LEU 628 HD23 LEU 628 -4.784 3.232 5.754 160 H THR 629 HN THR 629 -0.862 6.714 4.580 161 HA THR 629 HA THR 629 0.485 7.653 2.188 162 HB THR 629 HB THR 629 1.856 8.643 4.411 163 HG1 THR 629 HG1 THR 629 0.332 7.999 5.857 164 HG21 THR 629 HG21 THR 629 0.207 9.669 2.321 165 HG22 THR 629 HG22 THR 629 1.488 10.466 3.235 166 HG23 THR 629 HG23 THR 629 -0.168 10.487 3.838 167 H GLY 630 HN GLY 630 2.920 7.749 2.205 168 HA2 GLY 630 HA2 GLY 630 3.998 5.183 2.205 169 HA3 GLY 630 HA1 GLY 630 4.941 6.664 2.193 170 H THR 631 HN THR 631 3.540 7.308 4.876 171 HA THR 631 HA THR 631 5.648 6.330 6.511 172 HB THR 631 HB THR 631 4.618 8.497 6.934 173 HG1 THR 631 HG1 THR 631 5.497 7.304 8.711 174 HG21 THR 631 HG21 THR 631 2.193 7.281 8.124 175 HG22 THR 631 HG22 THR 631 2.237 7.516 6.376 176 HG23 THR 631 HG23 THR 631 2.447 8.893 7.458 177 H ASP 632 HN ASP 632 2.203 5.523 6.239 178 HA ASP 632 HA ASP 632 2.567 3.342 8.158 179 HB2 ASP 632 HB2 ASP 632 0.313 5.001 7.304 180 HB3 ASP 632 HB1 ASP 632 -0.088 3.290 7.405 181 H ALA 633 HN ALA 633 2.249 3.919 4.787 182 HA ALA 633 HA ALA 633 1.141 1.496 3.923 183 HB1 ALA 633 HB1 ALA 633 1.590 3.642 2.595 184 HB2 ALA 633 HB2 ALA 633 1.810 2.100 1.770 185 HB3 ALA 633 HB3 ALA 633 3.213 2.994 2.355 186 HA PRO 634 HA PRO 634 4.391 -1.445 4.458 187 HB2 PRO 634 HB2 PRO 634 3.980 -3.123 2.387 188 HB3 PRO 634 HB1 PRO 634 2.852 -3.011 3.743 189 HG2 PRO 634 HG2 PRO 634 2.681 -1.752 1.031 190 HG3 PRO 634 HG1 PRO 634 1.414 -2.570 1.963 191 HD2 PRO 634 HD2 PRO 634 1.650 0.133 1.848 192 HD3 PRO 634 HD1 PRO 634 1.001 -0.717 3.265 193 H LYS 635 HN LYS 635 6.341 -2.351 3.490 194 HA LYS 635 HA LYS 635 7.748 -0.417 1.928 195 HB2 LYS 635 HB2 LYS 635 8.469 -3.143 2.991 196 HB3 LYS 635 HB1 LYS 635 9.570 -2.219 1.980 197 HG2 LYS 635 HG2 LYS 635 8.975 -0.358 3.822 198 HG3 LYS 635 HG1 LYS 635 8.788 -1.821 4.791 199 HD2 LYS 635 HD2 LYS 635 10.997 -1.926 5.017 200 HD3 LYS 635 HD1 LYS 635 11.150 -2.133 3.272 201 HE2 LYS 635 HE2 LYS 635 12.487 -0.247 4.108 202 HE3 LYS 635 HE1 LYS 635 11.248 0.268 2.964 203 HZ1 LYS 635 HZ1 LYS 635 10.483 0.301 5.765 204 HZ2 LYS 635 HZ2 LYS 635 10.152 1.417 4.539 205 HZ3 LYS 635 HZ3 LYS 635 11.654 1.436 5.315 206 H ALA 636 HN ALA 636 9.198 -1.389 0.058 207 HA ALA 636 HA ALA 636 7.488 -1.901 -2.101 208 HB1 ALA 636 HB1 ALA 636 10.306 -2.748 -2.367 209 HB2 ALA 636 HB2 ALA 636 10.023 -1.069 -1.910 210 HB3 ALA 636 HB3 ALA 636 9.329 -1.706 -3.401 211 H GLY 637 HN GLY 637 9.675 -4.100 -0.348 212 HA2 GLY 637 HA2 GLY 637 8.871 -6.394 -1.865 213 HA3 GLY 637 HA1 GLY 637 9.849 -6.401 -0.406 214 H GLN 638 HN GLN 638 7.932 -5.039 1.251 215 HA GLN 638 HA GLN 638 6.308 -7.313 1.943 216 HB2 GLN 638 HB2 GLN 638 7.512 -5.528 3.478 217 HB3 GLN 638 HB1 GLN 638 5.990 -4.670 3.289 218 HG2 GLN 638 HG2 GLN 638 5.332 -5.846 5.061 219 HG3 GLN 638 HG1 GLN 638 5.131 -7.174 3.919 220 HE21 GLN 638 HE21 GLN 638 7.382 -5.700 6.189 221 HE22 GLN 638 HE22 GLN 638 8.248 -7.150 6.557 222 H LEU 639 HN LEU 639 5.870 -4.637 -0.074 223 HA LEU 639 HA LEU 639 3.210 -3.933 0.356 224 HB2 LEU 639 HB2 LEU 639 4.619 -2.638 -1.106 225 HB3 LEU 639 HB1 LEU 639 4.819 -3.999 -2.193 226 HG LEU 639 HG LEU 639 2.209 -3.821 -2.426 227 HD11 LEU 639 HD11 LEU 639 1.827 -1.191 -2.421 228 HD12 LEU 639 HD12 LEU 639 2.989 -1.291 -1.096 229 HD13 LEU 639 HD13 LEU 639 1.478 -2.200 -1.016 230 HD21 LEU 639 HD21 LEU 639 3.273 -3.512 -4.404 231 HD22 LEU 639 HD22 LEU 639 4.404 -2.332 -3.741 232 HD23 LEU 639 HD23 LEU 639 2.752 -1.849 -4.131 233 H GLU 640 HN GLU 640 4.542 -6.408 -1.830 234 HA GLU 640 HA GLU 640 2.176 -7.294 -2.952 235 HB2 GLU 640 HB2 GLU 640 4.878 -8.174 -2.841 236 HB3 GLU 640 HB1 GLU 640 3.852 -9.562 -2.503 237 HG2 GLU 640 HG2 GLU 640 3.185 -9.716 -4.617 238 HG3 GLU 640 HG1 GLU 640 2.885 -7.984 -4.740 239 H ALA 641 HN ALA 641 3.728 -8.365 0.039 240 HA ALA 641 HA ALA 641 1.770 -10.328 0.664 241 HB1 ALA 641 HB1 ALA 641 3.700 -10.775 1.793 242 HB2 ALA 641 HB2 ALA 641 2.829 -9.901 3.054 243 HB3 ALA 641 HB3 ALA 641 4.052 -9.073 2.090 244 H TRP 642 HN TRP 642 2.198 -6.937 1.486 245 HA TRP 642 HA TRP 642 0.164 -6.781 3.437 246 HB2 TRP 642 HB2 TRP 642 1.987 -5.078 3.016 247 HB3 TRP 642 HB1 TRP 642 1.059 -4.540 1.618 248 HD1 TRP 642 HD1 TRP 642 1.284 -4.158 5.346 249 HE1 TRP 642 HE1 TRP 642 -0.560 -2.559 6.165 250 HE3 TRP 642 HE3 TRP 642 -1.477 -3.844 1.059 251 HZ2 TRP 642 HZ2 TRP 642 -2.878 -1.327 5.128 252 HZ3 TRP 642 HZ3 TRP 642 -3.493 -2.436 1.055 253 HH2 TRP 642 HH2 TRP 642 -4.180 -1.203 3.048 254 H LEU 643 HN LEU 643 0.165 -6.256 -0.062 255 HA LEU 643 HA LEU 643 -2.527 -5.407 -0.247 256 HB2 LEU 643 HB2 LEU 643 -0.658 -6.639 -2.268 257 HB3 LEU 643 HB1 LEU 643 -2.272 -6.083 -2.671 258 HG LEU 643 HG LEU 643 -0.014 -4.365 -1.637 259 HD11 LEU 643 HD11 LEU 643 -0.650 -3.329 -4.015 260 HD12 LEU 643 HD12 LEU 643 -1.050 -5.018 -4.327 261 HD13 LEU 643 HD13 LEU 643 0.579 -4.579 -3.810 262 HD21 LEU 643 HD21 LEU 643 -1.835 -3.248 -0.816 263 HD22 LEU 643 HD22 LEU 643 -2.914 -3.861 -2.070 264 HD23 LEU 643 HD23 LEU 643 -1.765 -2.578 -2.447 265 H GLU 644 HN GLU 644 -0.961 -8.567 -0.536 266 HA GLU 644 HA GLU 644 -3.201 -10.053 -1.317 267 HB2 GLU 644 HB2 GLU 644 -0.615 -10.662 -0.962 268 HB3 GLU 644 HB1 GLU 644 -1.252 -11.313 0.541 269 HG2 GLU 644 HG2 GLU 644 -2.390 -12.020 -2.146 270 HG3 GLU 644 HG1 GLU 644 -1.071 -12.917 -1.394 271 H MET 645 HN MET 645 -2.017 -9.137 1.885 272 HA MET 645 HA MET 645 -4.072 -10.588 3.274 273 HB2 MET 645 HB2 MET 645 -2.049 -8.533 4.163 274 HB3 MET 645 HB1 MET 645 -3.215 -9.262 5.259 275 HG2 MET 645 HG2 MET 645 -1.643 -11.155 3.657 276 HG3 MET 645 HG1 MET 645 -0.727 -10.205 4.825 277 HE1 MET 645 HE1 MET 645 -1.044 -13.535 6.764 278 HE2 MET 645 HE2 MET 645 0.010 -12.404 5.915 279 HE3 MET 645 HE3 MET 645 -1.019 -13.507 5.001 280 H ASN 646 HN ASN 646 -3.571 -7.291 2.182 281 HA ASN 646 HA ASN 646 -6.240 -6.581 3.206 282 HB2 ASN 646 HB2 ASN 646 -4.026 -4.668 2.447 283 HB3 ASN 646 HB1 ASN 646 -5.535 -4.278 3.264 284 HD21 ASN 646 HD21 ASN 646 -2.330 -5.454 3.600 285 HD22 ASN 646 HD22 ASN 646 -2.330 -5.604 5.322 286 HA PRO 647 HA PRO 647 -6.622 -6.775 -1.409 287 HB2 PRO 647 HB2 PRO 647 -9.161 -7.754 -1.388 288 HB3 PRO 647 HB1 PRO 647 -7.727 -8.783 -1.298 289 HG2 PRO 647 HG2 PRO 647 -9.517 -7.830 0.904 290 HG3 PRO 647 HG1 PRO 647 -8.820 -9.441 0.645 291 HD2 PRO 647 HD2 PRO 647 -7.781 -7.682 2.415 292 HD3 PRO 647 HD1 PRO 647 -6.772 -8.832 1.516 293 H GLY 648 HN GLY 648 -7.637 -5.318 -2.730 294 HA2 GLY 648 HA2 GLY 648 -9.435 -3.815 -3.257 295 HA3 GLY 648 HA1 GLY 648 -9.688 -3.581 -1.534 296 H TYR 649 HN TYR 649 -6.467 -3.511 -1.745 297 HA TYR 649 HA TYR 649 -6.430 -0.595 -1.890 298 HB2 TYR 649 HB2 TYR 649 -4.735 -2.670 -0.607 299 HB3 TYR 649 HB1 TYR 649 -3.934 -1.192 -1.122 300 HD1 TYR 649 HD1 TYR 649 -4.250 0.857 0.064 301 HD2 TYR 649 HD2 TYR 649 -6.540 -2.577 1.088 302 HE1 TYR 649 HE1 TYR 649 -4.965 1.967 2.140 303 HE2 TYR 649 HE2 TYR 649 -7.268 -1.478 3.166 304 HH TYR 649 HH TYR 649 -7.512 0.806 4.056 305 H GLU 650 HN GLU 650 -4.944 0.550 -3.167 306 HA GLU 650 HA GLU 650 -3.515 -0.973 -5.228 307 HB2 GLU 650 HB2 GLU 650 -5.326 1.394 -5.757 308 HB3 GLU 650 HB1 GLU 650 -4.267 0.650 -6.946 309 HG2 GLU 650 HG2 GLU 650 -5.514 -1.401 -6.850 310 HG3 GLU 650 HG1 GLU 650 -6.503 -0.780 -5.530 311 H VAL 651 HN VAL 651 -1.623 0.014 -5.979 312 HA VAL 651 HA VAL 651 -0.190 1.580 -4.210 313 HB VAL 651 HB VAL 651 1.260 2.103 -6.272 314 HG11 VAL 651 HG11 VAL 651 1.738 0.352 -4.616 315 HG12 VAL 651 HG12 VAL 651 2.221 -0.121 -6.245 316 HG13 VAL 651 HG13 VAL 651 0.742 -0.772 -5.539 317 HG21 VAL 651 HG21 VAL 651 0.713 1.328 -8.311 318 HG22 VAL 651 HG22 VAL 651 -0.933 1.357 -7.674 319 HG23 VAL 651 HG23 VAL 651 -0.010 -0.147 -7.667 320 H ALA 652 HN ALA 652 -0.268 3.658 -3.675 321 HA ALA 652 HA ALA 652 -1.731 5.506 -5.419 322 HB1 ALA 652 HB1 ALA 652 -1.323 6.955 -3.204 323 HB2 ALA 652 HB2 ALA 652 -1.240 5.336 -2.512 324 HB3 ALA 652 HB3 ALA 652 -2.679 5.844 -3.394 325 HA PRO 653 HA PRO 653 2.507 6.855 -6.468 326 HB2 PRO 653 HB2 PRO 653 1.766 8.210 -8.708 327 HB3 PRO 653 HB1 PRO 653 2.053 6.467 -8.683 328 HG2 PRO 653 HG2 PRO 653 -0.536 7.962 -8.556 329 HG3 PRO 653 HG1 PRO 653 -0.129 6.505 -9.482 330 HD2 PRO 653 HD2 PRO 653 -1.507 6.400 -7.162 331 HD3 PRO 653 HD1 PRO 653 -0.380 5.119 -7.653 332 H ARG 654 HN ARG 654 3.520 8.910 -6.481 333 HA ARG 654 HA ARG 654 1.845 11.059 -5.366 334 HB2 ARG 654 HB2 ARG 654 4.098 11.927 -4.504 335 HB3 ARG 654 HB1 ARG 654 3.425 10.503 -3.724 336 HG2 ARG 654 HG2 ARG 654 4.949 9.066 -4.803 337 HG3 ARG 654 HG1 ARG 654 5.444 10.323 -5.939 338 HD2 ARG 654 HD2 ARG 654 7.190 10.190 -4.375 339 HD3 ARG 654 HD1 ARG 654 6.264 11.616 -3.910 340 HE ARG 654 HE ARG 654 5.208 9.554 -2.439 341 HH11 ARG 654 HH11 ARG 654 8.362 10.998 -2.814 342 HH12 ARG 654 HH12 ARG 654 8.864 10.625 -1.198 343 HH21 ARG 654 HH21 ARG 654 5.865 9.064 -0.313 344 HH22 ARG 654 HH22 ARG 654 7.446 9.527 0.222 345 H SER 655 HN SER 655 3.031 13.291 -5.711 346 HA SER 655 HA SER 655 3.855 13.458 -8.532 347 HB2 SER 655 HB2 SER 655 1.451 14.351 -7.637 348 HB3 SER 655 HB1 SER 655 2.436 15.797 -7.419 349 HG SER 655 HG SER 655 1.368 15.418 -9.553 350 H ASP 656 HN ASP 656 3.940 15.006 -5.359 351 HA ASP 656 HA ASP 656 5.985 16.872 -6.093 352 HB2 ASP 656 HB2 ASP 656 4.177 16.874 -4.117 353 HB3 ASP 656 HB1 ASP 656 5.538 16.191 -3.233 354 H SER 657 HN SER 657 7.554 15.416 -6.990 355 HA SER 657 HA SER 657 9.195 14.123 -4.914 356 HB2 SER 657 HB2 SER 657 8.305 13.064 -7.570 357 HB3 SER 657 HB1 SER 657 9.879 12.579 -6.938 358 HG SER 657 HG SER 657 7.374 12.283 -5.633 359 H GLU 658 HN GLU 658 9.169 15.541 -8.169 360 HA GLU 658 HA GLU 658 12.041 16.027 -8.010 361 HB2 GLU 658 HB2 GLU 658 10.486 15.303 -10.104 362 HB3 GLU 658 HB1 GLU 658 10.506 17.047 -10.324 363 HG2 GLU 658 HG2 GLU 658 13.022 16.907 -10.170 364 HG3 GLU 658 HG1 GLU 658 12.839 15.157 -10.288 Start of MODEL 18 1 H1 SER 610 HT1 SER 610 16.029 -1.208 -6.528 2 H2 SER 610 HT2 SER 610 15.830 -1.829 -4.941 3 H3 SER 610 HT3 SER 610 16.521 -2.810 -6.168 4 HA SER 610 HA SER 610 18.298 -2.137 -4.926 5 HB2 SER 610 HB2 SER 610 17.803 -0.726 -7.489 6 HB3 SER 610 HB1 SER 610 19.164 -0.142 -6.531 7 HG SER 610 HG SER 610 19.943 -2.309 -6.501 8 H GLN 611 HN GLN 611 16.290 0.695 -5.694 9 HA GLN 611 HA GLN 611 17.198 1.909 -3.170 10 HB2 GLN 611 HB2 GLN 611 17.573 2.909 -5.796 11 HB3 GLN 611 HB1 GLN 611 16.370 3.932 -5.025 12 HG2 GLN 611 HG2 GLN 611 17.839 4.774 -3.525 13 HG3 GLN 611 HG1 GLN 611 18.782 3.287 -3.446 14 HE21 GLN 611 HE21 GLN 611 20.669 4.589 -3.591 15 HE22 GLN 611 HE22 GLN 611 21.198 5.206 -5.116 16 H MET 612 HN MET 612 14.668 2.135 -5.673 17 HA MET 612 HA MET 612 12.746 3.403 -4.088 18 HB2 MET 612 HB2 MET 612 12.619 1.716 -6.559 19 HB3 MET 612 HB1 MET 612 11.130 2.199 -5.759 20 HG2 MET 612 HG2 MET 612 13.045 4.371 -6.227 21 HG3 MET 612 HG1 MET 612 12.383 3.628 -7.682 22 HE1 MET 612 HE1 MET 612 8.849 4.622 -7.908 23 HE2 MET 612 HE2 MET 612 9.193 3.067 -7.150 24 HE3 MET 612 HE3 MET 612 10.207 3.648 -8.471 25 H SER 613 HN SER 613 13.712 0.069 -4.278 26 HA SER 613 HA SER 613 11.463 -1.183 -3.202 27 HB2 SER 613 HB2 SER 613 14.201 -2.131 -2.454 28 HB3 SER 613 HB1 SER 613 12.793 -3.065 -2.958 29 HG SER 613 HG SER 613 13.116 -2.170 -5.077 30 H ASP 614 HN ASP 614 13.914 0.755 -1.684 31 HA ASP 614 HA ASP 614 13.155 -0.080 0.992 32 HB2 ASP 614 HB2 ASP 614 15.517 0.787 -0.026 33 HB3 ASP 614 HB1 ASP 614 14.896 2.285 0.660 34 H LEU 615 HN LEU 615 12.514 2.513 -1.238 35 HA LEU 615 HA LEU 615 11.505 4.368 0.671 36 HB2 LEU 615 HB2 LEU 615 10.704 4.272 -2.224 37 HB3 LEU 615 HB1 LEU 615 10.799 5.668 -1.169 38 HG LEU 615 HG LEU 615 13.141 4.100 -2.249 39 HD11 LEU 615 HD11 LEU 615 12.285 5.403 -4.004 40 HD12 LEU 615 HD12 LEU 615 13.612 6.350 -3.330 41 HD13 LEU 615 HD13 LEU 615 11.943 6.765 -2.937 42 HD21 LEU 615 HD21 LEU 615 13.815 4.856 -0.131 43 HD22 LEU 615 HD22 LEU 615 12.963 6.389 -0.314 44 HD23 LEU 615 HD23 LEU 615 14.418 6.070 -1.259 45 HA PRO 616 HA PRO 616 7.484 2.638 1.315 46 HB2 PRO 616 HB2 PRO 616 6.193 4.778 2.299 47 HB3 PRO 616 HB1 PRO 616 7.480 3.971 3.203 48 HG2 PRO 616 HG2 PRO 616 7.595 6.479 1.574 49 HG3 PRO 616 HG1 PRO 616 8.317 6.140 3.157 50 HD2 PRO 616 HD2 PRO 616 9.706 6.036 0.801 51 HD3 PRO 616 HD1 PRO 616 10.133 5.087 2.237 52 H VAL 617 HN VAL 617 5.588 2.368 0.235 53 HA VAL 617 HA VAL 617 4.962 4.313 -1.891 54 HB VAL 617 HB VAL 617 4.359 1.356 -1.978 55 HG11 VAL 617 HG11 VAL 617 4.280 2.078 -4.512 56 HG12 VAL 617 HG12 VAL 617 3.921 3.657 -3.812 57 HG13 VAL 617 HG13 VAL 617 2.879 2.278 -3.458 58 HG21 VAL 617 HG21 VAL 617 6.247 1.012 -3.338 59 HG22 VAL 617 HG22 VAL 617 6.829 1.976 -1.981 60 HG23 VAL 617 HG23 VAL 617 6.521 2.743 -3.539 61 H LYS 618 HN LYS 618 3.071 5.305 -1.679 62 HA LYS 618 HA LYS 618 1.249 4.708 0.394 63 HB2 LYS 618 HB2 LYS 618 1.061 6.477 -2.038 64 HB3 LYS 618 HB1 LYS 618 -0.260 6.325 -0.887 65 HG2 LYS 618 HG2 LYS 618 0.765 8.148 -0.019 66 HG3 LYS 618 HG1 LYS 618 1.669 6.894 0.832 67 HD2 LYS 618 HD2 LYS 618 3.545 7.703 -0.036 68 HD3 LYS 618 HD1 LYS 618 2.954 7.270 -1.644 69 HE2 LYS 618 HE2 LYS 618 3.382 9.534 -1.863 70 HE3 LYS 618 HE1 LYS 618 1.658 9.509 -1.495 71 HZ1 LYS 618 HZ1 LYS 618 3.210 11.125 -0.236 72 HZ2 LYS 618 HZ2 LYS 618 3.611 9.769 0.690 73 HZ3 LYS 618 HZ3 LYS 618 2.008 10.299 0.621 74 H VAL 619 HN VAL 619 -1.168 4.448 -0.107 75 HA VAL 619 HA VAL 619 -1.785 2.855 -2.423 76 HB VAL 619 HB VAL 619 -2.598 0.904 -1.152 77 HG11 VAL 619 HG11 VAL 619 -0.286 1.077 -2.193 78 HG12 VAL 619 HG12 VAL 619 -0.525 -0.179 -0.979 79 HG13 VAL 619 HG13 VAL 619 0.314 1.314 -0.552 80 HG21 VAL 619 HG21 VAL 619 -1.013 1.870 1.201 81 HG22 VAL 619 HG22 VAL 619 -2.220 0.586 1.127 82 HG23 VAL 619 HG23 VAL 619 -2.720 2.275 1.025 83 H ILE 620 HN ILE 620 -4.032 2.493 -2.706 84 HA ILE 620 HA ILE 620 -5.760 4.038 -0.889 85 HB ILE 620 HB ILE 620 -5.535 5.361 -2.869 86 HG12 ILE 620 HG12 ILE 620 -7.834 5.437 -3.703 87 HG13 ILE 620 HG11 ILE 620 -8.136 3.821 -3.075 88 HG21 ILE 620 HG21 ILE 620 -6.484 4.037 -5.038 89 HG22 ILE 620 HG22 ILE 620 -5.612 2.752 -4.206 90 HG23 ILE 620 HG23 ILE 620 -4.775 4.236 -4.655 91 HD11 ILE 620 HD11 ILE 620 -7.216 5.336 -0.908 92 HD12 ILE 620 HD12 ILE 620 -8.851 4.747 -1.204 93 HD13 ILE 620 HD13 ILE 620 -8.374 6.349 -1.768 94 H HIS 621 HN HIS 621 -7.433 2.949 -0.097 95 HA HIS 621 HA HIS 621 -7.948 0.251 -1.053 96 HB2 HIS 621 HB2 HIS 621 -7.750 1.058 1.425 97 HB3 HIS 621 HB1 HIS 621 -9.420 1.550 1.211 98 HD1 HIS 621 HD1 HIS 621 -10.293 -0.199 2.877 99 HD2 HIS 621 HD2 HIS 621 -8.222 -1.823 -0.337 100 HE1 HIS 621 HE1 HIS 621 -10.755 -2.670 2.959 101 HE2 HIS 621 HE2 HIS 621 -9.551 -3.622 0.961 102 H VAL 622 HN VAL 622 -9.767 -0.396 -2.098 103 HA VAL 622 HA VAL 622 -11.523 1.685 -3.105 104 HB VAL 622 HB VAL 622 -11.594 -1.271 -3.721 105 HG11 VAL 622 HG11 VAL 622 -12.676 1.087 -5.259 106 HG12 VAL 622 HG12 VAL 622 -13.639 -0.008 -4.266 107 HG13 VAL 622 HG13 VAL 622 -12.817 -0.614 -5.704 108 HG21 VAL 622 HG21 VAL 622 -10.347 0.779 -5.505 109 HG22 VAL 622 HG22 VAL 622 -10.104 -0.967 -5.467 110 HG23 VAL 622 HG23 VAL 622 -9.412 0.048 -4.202 111 H GLU 623 HN GLU 623 -11.682 -1.120 -0.991 112 HA GLU 623 HA GLU 623 -14.503 -1.185 -0.738 113 HB2 GLU 623 HB2 GLU 623 -12.376 -2.217 1.144 114 HB3 GLU 623 HB1 GLU 623 -14.084 -2.628 1.214 115 HG2 GLU 623 HG2 GLU 623 -13.991 -3.881 -0.744 116 HG3 GLU 623 HG1 GLU 623 -12.472 -3.144 -1.252 117 H SER 624 HN SER 624 -11.978 0.572 0.955 118 HA SER 624 HA SER 624 -14.037 1.757 2.696 119 HB2 SER 624 HB2 SER 624 -11.985 0.506 3.684 120 HB3 SER 624 HB1 SER 624 -11.089 1.958 3.240 121 HG SER 624 HG SER 624 -11.774 2.580 5.145 122 H GLY 625 HN GLY 625 -11.675 2.420 0.253 123 HA2 GLY 625 HA2 GLY 625 -11.456 4.344 -1.022 124 HA3 GLY 625 HA1 GLY 625 -12.655 5.117 0.001 125 H LYS 626 HN LYS 626 -10.418 3.849 2.063 126 HA LYS 626 HA LYS 626 -9.299 6.429 2.626 127 HB2 LYS 626 HB2 LYS 626 -9.902 4.527 4.283 128 HB3 LYS 626 HB1 LYS 626 -8.337 3.857 3.844 129 HG2 LYS 626 HG2 LYS 626 -7.772 6.499 4.406 130 HG3 LYS 626 HG1 LYS 626 -8.989 6.064 5.608 131 HD2 LYS 626 HD2 LYS 626 -6.581 4.348 5.059 132 HD3 LYS 626 HD1 LYS 626 -6.556 5.663 6.236 133 HE2 LYS 626 HE2 LYS 626 -8.785 4.402 7.025 134 HE3 LYS 626 HE1 LYS 626 -7.905 3.034 6.345 135 HZ1 LYS 626 HZ1 LYS 626 -6.010 3.655 7.771 136 HZ2 LYS 626 HZ2 LYS 626 -7.387 3.238 8.661 137 HZ3 LYS 626 HZ3 LYS 626 -6.958 4.863 8.484 138 H ILE 627 HN ILE 627 -7.091 7.005 2.592 139 HA ILE 627 HA ILE 627 -5.452 5.402 0.735 140 HB ILE 627 HB ILE 627 -5.283 8.396 1.077 141 HG12 ILE 627 HG12 ILE 627 -6.373 7.199 -1.418 142 HG13 ILE 627 HG11 ILE 627 -7.437 7.226 -0.016 143 HG21 ILE 627 HG21 ILE 627 -3.237 7.635 0.258 144 HG22 ILE 627 HG22 ILE 627 -4.120 8.113 -1.192 145 HG23 ILE 627 HG23 ILE 627 -3.992 6.408 -0.758 146 HD11 ILE 627 HD11 ILE 627 -7.251 9.613 0.140 147 HD12 ILE 627 HD12 ILE 627 -7.714 9.171 -1.503 148 HD13 ILE 627 HD13 ILE 627 -6.051 9.640 -1.152 149 H LEU 628 HN LEU 628 -3.707 4.552 1.663 150 HA LEU 628 HA LEU 628 -2.766 5.594 4.201 151 HB2 LEU 628 HB2 LEU 628 -1.771 3.225 2.612 152 HB3 LEU 628 HB1 LEU 628 -1.316 3.631 4.255 153 HG LEU 628 HG LEU 628 -4.153 2.998 3.466 154 HD11 LEU 628 HD11 LEU 628 -1.937 1.176 4.358 155 HD12 LEU 628 HD12 LEU 628 -2.998 1.015 2.959 156 HD13 LEU 628 HD13 LEU 628 -3.640 0.776 4.582 157 HD21 LEU 628 HD21 LEU 628 -3.093 2.548 6.184 158 HD22 LEU 628 HD22 LEU 628 -4.668 3.142 5.662 159 HD23 LEU 628 HD23 LEU 628 -3.279 4.228 5.682 160 H THR 629 HN THR 629 -0.889 6.669 4.541 161 HA THR 629 HA THR 629 0.499 7.688 2.207 162 HB THR 629 HB THR 629 1.809 8.628 4.490 163 HG1 THR 629 HG1 THR 629 0.429 8.585 6.047 164 HG21 THR 629 HG21 THR 629 0.146 9.699 2.413 165 HG22 THR 629 HG22 THR 629 1.460 10.457 3.313 166 HG23 THR 629 HG23 THR 629 -0.182 10.490 3.954 167 H GLY 630 HN GLY 630 2.936 7.807 2.284 168 HA2 GLY 630 HA2 GLY 630 4.038 5.252 2.243 169 HA3 GLY 630 HA1 GLY 630 4.968 6.740 2.296 170 H THR 631 HN THR 631 3.461 7.267 4.967 171 HA THR 631 HA THR 631 5.549 6.253 6.620 172 HB THR 631 HB THR 631 3.032 7.349 7.787 173 HG1 THR 631 HG1 THR 631 4.904 8.840 6.270 174 HG21 THR 631 HG21 THR 631 5.638 8.523 8.429 175 HG22 THR 631 HG22 THR 631 5.443 6.828 8.880 176 HG23 THR 631 HG23 THR 631 4.313 8.037 9.486 177 H ASP 632 HN ASP 632 2.101 5.474 6.262 178 HA ASP 632 HA ASP 632 2.417 3.254 8.145 179 HB2 ASP 632 HB2 ASP 632 0.206 4.963 7.321 180 HB3 ASP 632 HB1 ASP 632 -0.228 3.257 7.300 181 H ALA 633 HN ALA 633 2.071 3.901 4.775 182 HA ALA 633 HA ALA 633 1.015 1.469 3.876 183 HB1 ALA 633 HB1 ALA 633 1.656 2.130 1.724 184 HB2 ALA 633 HB2 ALA 633 3.022 3.072 2.321 185 HB3 ALA 633 HB3 ALA 633 1.374 3.644 2.583 186 HA PRO 634 HA PRO 634 4.378 -1.364 4.341 187 HB2 PRO 634 HB2 PRO 634 3.907 -3.105 2.344 188 HB3 PRO 634 HB1 PRO 634 2.832 -2.976 3.741 189 HG2 PRO 634 HG2 PRO 634 2.528 -1.797 1.004 190 HG3 PRO 634 HG1 PRO 634 1.316 -2.615 2.007 191 HD2 PRO 634 HD2 PRO 634 1.499 0.093 1.812 192 HD3 PRO 634 HD1 PRO 634 0.908 -0.734 3.266 193 H LYS 635 HN LYS 635 6.371 -2.061 3.439 194 HA LYS 635 HA LYS 635 7.539 -0.201 1.610 195 HB2 LYS 635 HB2 LYS 635 8.659 -2.780 2.725 196 HB3 LYS 635 HB1 LYS 635 9.583 -1.539 1.891 197 HG2 LYS 635 HG2 LYS 635 9.104 0.044 3.669 198 HG3 LYS 635 HG1 LYS 635 8.122 -1.167 4.497 199 HD2 LYS 635 HD2 LYS 635 10.017 -1.634 5.608 200 HD3 LYS 635 HD1 LYS 635 10.463 -2.512 4.144 201 HE2 LYS 635 HE2 LYS 635 11.039 0.384 4.164 202 HE3 LYS 635 HE1 LYS 635 11.996 -0.608 5.263 203 HZ1 LYS 635 HZ1 LYS 635 12.935 -0.282 2.972 204 HZ2 LYS 635 HZ2 LYS 635 11.682 -1.258 2.390 205 HZ3 LYS 635 HZ3 LYS 635 12.809 -1.890 3.481 206 H ALA 636 HN ALA 636 8.818 -0.971 -0.316 207 HA ALA 636 HA ALA 636 7.094 -2.189 -2.175 208 HB1 ALA 636 HB1 ALA 636 9.491 -0.771 -2.273 209 HB2 ALA 636 HB2 ALA 636 8.535 -1.345 -3.639 210 HB3 ALA 636 HB3 ALA 636 9.850 -2.334 -3.006 211 H GLY 637 HN GLY 637 9.555 -3.495 -0.078 212 HA2 GLY 637 HA2 GLY 637 9.839 -5.987 -1.454 213 HA3 GLY 637 HA1 GLY 637 10.412 -5.622 0.164 214 H GLN 638 HN GLN 638 7.834 -4.888 1.240 215 HA GLN 638 HA GLN 638 6.670 -7.584 1.403 216 HB2 GLN 638 HB2 GLN 638 5.826 -6.926 3.600 217 HB3 GLN 638 HB1 GLN 638 7.568 -6.711 3.504 218 HG2 GLN 638 HG2 GLN 638 7.170 -4.294 3.043 219 HG3 GLN 638 HG1 GLN 638 5.458 -4.574 3.358 220 HE21 GLN 638 HE21 GLN 638 5.219 -5.966 5.497 221 HE22 GLN 638 HE22 GLN 638 6.044 -5.291 6.857 222 H LEU 639 HN LEU 639 6.066 -4.870 -0.243 223 HA LEU 639 HA LEU 639 3.438 -4.144 0.317 224 HB2 LEU 639 HB2 LEU 639 4.815 -2.843 -1.175 225 HB3 LEU 639 HB1 LEU 639 4.926 -4.179 -2.306 226 HG LEU 639 HG LEU 639 2.336 -3.949 -2.452 227 HD11 LEU 639 HD11 LEU 639 1.770 -1.452 -2.229 228 HD12 LEU 639 HD12 LEU 639 3.167 -1.379 -1.156 229 HD13 LEU 639 HD13 LEU 639 1.809 -2.436 -0.766 230 HD21 LEU 639 HD21 LEU 639 4.493 -2.389 -3.735 231 HD22 LEU 639 HD22 LEU 639 2.839 -1.845 -4.022 232 HD23 LEU 639 HD23 LEU 639 3.312 -3.492 -4.441 233 H GLU 640 HN GLU 640 4.631 -6.575 -1.997 234 HA GLU 640 HA GLU 640 2.209 -7.412 -3.029 235 HB2 GLU 640 HB2 GLU 640 4.582 -9.182 -2.426 236 HB3 GLU 640 HB1 GLU 640 3.313 -9.502 -3.602 237 HG2 GLU 640 HG2 GLU 640 4.706 -8.608 -5.086 238 HG3 GLU 640 HG1 GLU 640 4.234 -7.055 -4.396 239 H ALA 641 HN ALA 641 3.832 -8.453 -0.075 240 HA ALA 641 HA ALA 641 1.931 -10.457 0.599 241 HB1 ALA 641 HB1 ALA 641 3.918 -10.820 1.682 242 HB2 ALA 641 HB2 ALA 641 3.004 -10.018 2.960 243 HB3 ALA 641 HB3 ALA 641 4.178 -9.106 2.010 244 H TRP 642 HN TRP 642 2.323 -7.057 1.430 245 HA TRP 642 HA TRP 642 0.256 -6.949 3.359 246 HB2 TRP 642 HB2 TRP 642 2.110 -5.241 2.983 247 HB3 TRP 642 HB1 TRP 642 1.153 -4.643 1.631 248 HD1 TRP 642 HD1 TRP 642 1.406 -4.495 5.387 249 HE1 TRP 642 HE1 TRP 642 -0.407 -2.914 6.305 250 HE3 TRP 642 HE3 TRP 642 -1.336 -3.842 1.124 251 HZ2 TRP 642 HZ2 TRP 642 -2.698 -1.569 5.347 252 HZ3 TRP 642 HZ3 TRP 642 -3.322 -2.395 1.209 253 HH2 TRP 642 HH2 TRP 642 -3.988 -1.281 3.278 254 H LEU 643 HN LEU 643 0.333 -6.545 -0.130 255 HA LEU 643 HA LEU 643 -2.331 -5.587 -0.392 256 HB2 LEU 643 HB2 LEU 643 -0.410 -6.871 -2.325 257 HB3 LEU 643 HB1 LEU 643 -2.025 -6.381 -2.799 258 HG LEU 643 HG LEU 643 0.154 -4.559 -1.776 259 HD11 LEU 643 HD11 LEU 643 -0.035 -3.599 -4.074 260 HD12 LEU 643 HD12 LEU 643 -1.051 -4.975 -4.504 261 HD13 LEU 643 HD13 LEU 643 0.624 -5.235 -4.015 262 HD21 LEU 643 HD21 LEU 643 -2.712 -4.040 -2.526 263 HD22 LEU 643 HD22 LEU 643 -1.487 -2.772 -2.482 264 HD23 LEU 643 HD23 LEU 643 -1.893 -3.658 -1.012 265 H GLU 644 HN GLU 644 -0.831 -8.784 -0.557 266 HA GLU 644 HA GLU 644 -3.106 -10.231 -1.343 267 HB2 GLU 644 HB2 GLU 644 -0.514 -10.885 -0.040 268 HB3 GLU 644 HB1 GLU 644 -1.799 -12.079 0.092 269 HG2 GLU 644 HG2 GLU 644 -1.675 -12.649 -2.077 270 HG3 GLU 644 HG1 GLU 644 -1.358 -10.996 -2.605 271 H MET 645 HN MET 645 -1.888 -9.296 1.840 272 HA MET 645 HA MET 645 -3.979 -10.672 3.257 273 HB2 MET 645 HB2 MET 645 -2.022 -8.569 4.205 274 HB3 MET 645 HB1 MET 645 -3.069 -9.527 5.244 275 HG2 MET 645 HG2 MET 645 -1.933 -11.560 4.530 276 HG3 MET 645 HG1 MET 645 -0.893 -10.612 3.469 277 HE1 MET 645 HE1 MET 645 -1.812 -9.237 7.222 278 HE2 MET 645 HE2 MET 645 -0.906 -10.502 8.054 279 HE3 MET 645 HE3 MET 645 -2.247 -10.930 6.990 280 H ASN 646 HN ASN 646 -3.418 -7.452 2.027 281 HA ASN 646 HA ASN 646 -6.068 -6.642 3.030 282 HB2 ASN 646 HB2 ASN 646 -3.755 -4.802 2.388 283 HB3 ASN 646 HB1 ASN 646 -5.291 -4.355 3.122 284 HD21 ASN 646 HD21 ASN 646 -2.155 -5.636 3.630 285 HD22 ASN 646 HD22 ASN 646 -2.255 -5.796 5.347 286 HA PRO 647 HA PRO 647 -6.191 -6.779 -1.623 287 HB2 PRO 647 HB2 PRO 647 -8.688 -7.849 -1.760 288 HB3 PRO 647 HB1 PRO 647 -7.223 -8.828 -1.628 289 HG2 PRO 647 HG2 PRO 647 -9.153 -8.009 0.510 290 HG3 PRO 647 HG1 PRO 647 -8.387 -9.585 0.238 291 HD2 PRO 647 HD2 PRO 647 -7.497 -7.855 2.109 292 HD3 PRO 647 HD1 PRO 647 -6.402 -8.932 1.219 293 H GLY 648 HN GLY 648 -7.287 -5.397 -2.997 294 HA2 GLY 648 HA2 GLY 648 -9.130 -3.952 -3.534 295 HA3 GLY 648 HA1 GLY 648 -9.391 -3.713 -1.814 296 H TYR 649 HN TYR 649 -6.233 -3.505 -1.828 297 HA TYR 649 HA TYR 649 -6.260 -0.611 -2.028 298 HB2 TYR 649 HB2 TYR 649 -4.444 -2.650 -0.840 299 HB3 TYR 649 HB1 TYR 649 -3.748 -1.101 -1.296 300 HD1 TYR 649 HD1 TYR 649 -6.207 -2.756 0.892 301 HD2 TYR 649 HD2 TYR 649 -4.196 0.877 -0.023 302 HE1 TYR 649 HE1 TYR 649 -6.964 -1.805 3.031 303 HE2 TYR 649 HE2 TYR 649 -4.945 1.843 2.112 304 HH TYR 649 HH TYR 649 -7.379 0.690 3.891 305 H GLU 650 HN GLU 650 -4.538 0.549 -3.141 306 HA GLU 650 HA GLU 650 -3.144 -0.845 -5.273 307 HB2 GLU 650 HB2 GLU 650 -5.198 1.307 -5.812 308 HB3 GLU 650 HB1 GLU 650 -4.018 0.758 -6.994 309 HG2 GLU 650 HG2 GLU 650 -4.993 -1.576 -6.598 310 HG3 GLU 650 HG1 GLU 650 -6.337 -0.733 -5.830 311 H VAL 651 HN VAL 651 -1.356 0.320 -6.074 312 HA VAL 651 HA VAL 651 -0.045 1.997 -4.299 313 HB VAL 651 HB VAL 651 0.388 1.973 -7.288 314 HG11 VAL 651 HG11 VAL 651 1.850 3.088 -4.986 315 HG12 VAL 651 HG12 VAL 651 1.827 3.597 -6.675 316 HG13 VAL 651 HG13 VAL 651 2.831 2.234 -6.178 317 HG21 VAL 651 HG21 VAL 651 2.175 0.308 -5.729 318 HG22 VAL 651 HG22 VAL 651 1.244 -0.083 -7.174 319 HG23 VAL 651 HG23 VAL 651 0.497 -0.212 -5.582 320 H ALA 652 HN ALA 652 -0.203 4.089 -3.786 321 HA ALA 652 HA ALA 652 -2.125 5.740 -5.173 322 HB1 ALA 652 HB1 ALA 652 -2.327 6.767 -3.212 323 HB2 ALA 652 HB2 ALA 652 -0.602 7.130 -3.151 324 HB3 ALA 652 HB3 ALA 652 -1.198 5.581 -2.556 325 HA PRO 653 HA PRO 653 0.904 7.758 -7.727 326 HB2 PRO 653 HB2 PRO 653 -0.618 9.765 -8.674 327 HB3 PRO 653 HB1 PRO 653 -0.866 8.088 -9.176 328 HG2 PRO 653 HG2 PRO 653 -2.372 9.703 -7.155 329 HG3 PRO 653 HG1 PRO 653 -2.995 8.594 -8.389 330 HD2 PRO 653 HD2 PRO 653 -2.687 7.908 -5.762 331 HD3 PRO 653 HD1 PRO 653 -2.606 6.740 -7.095 332 H ARG 654 HN ARG 654 2.097 9.737 -7.872 333 HA ARG 654 HA ARG 654 2.332 11.085 -5.335 334 HB2 ARG 654 HB2 ARG 654 3.852 11.274 -7.931 335 HB3 ARG 654 HB1 ARG 654 4.187 12.332 -6.567 336 HG2 ARG 654 HG2 ARG 654 5.728 10.696 -6.196 337 HG3 ARG 654 HG1 ARG 654 4.372 10.053 -5.268 338 HD2 ARG 654 HD2 ARG 654 5.213 8.248 -6.542 339 HD3 ARG 654 HD1 ARG 654 3.727 8.761 -7.337 340 HE ARG 654 HE ARG 654 4.959 9.460 -9.155 341 HH11 ARG 654 HH11 ARG 654 7.108 8.665 -6.518 342 HH12 ARG 654 HH12 ARG 654 8.532 8.714 -7.503 343 HH21 ARG 654 HH21 ARG 654 6.832 9.526 -10.446 344 HH22 ARG 654 HH22 ARG 654 8.376 9.204 -9.730 345 H SER 655 HN SER 655 1.627 13.067 -4.808 346 HA SER 655 HA SER 655 -0.368 14.349 -6.268 347 HB2 SER 655 HB2 SER 655 -0.091 14.681 -3.861 348 HB3 SER 655 HB1 SER 655 1.446 15.502 -4.135 349 HG SER 655 HG SER 655 0.292 17.240 -4.299 350 H ASP 656 HN ASP 656 3.106 14.792 -6.286 351 HA ASP 656 HA ASP 656 2.782 16.740 -8.473 352 HB2 ASP 656 HB2 ASP 656 4.480 16.855 -6.040 353 HB3 ASP 656 HB1 ASP 656 5.215 17.411 -7.541 354 H SER 657 HN SER 657 4.205 16.582 -10.205 355 HA SER 657 HA SER 657 6.327 14.640 -10.220 356 HB2 SER 657 HB2 SER 657 5.404 13.234 -12.002 357 HB3 SER 657 HB1 SER 657 4.362 13.189 -10.580 358 HG SER 657 HG SER 657 3.105 14.860 -11.672 359 H GLU 658 HN GLU 658 7.054 14.376 -12.681 360 HA GLU 658 HA GLU 658 7.118 17.104 -13.790 361 HB2 GLU 658 HB2 GLU 658 9.281 16.173 -12.916 362 HB3 GLU 658 HB1 GLU 658 9.189 14.936 -14.162 363 HG2 GLU 658 HG2 GLU 658 9.305 16.612 -15.893 364 HG3 GLU 658 HG1 GLU 658 9.276 17.898 -14.687 Start of MODEL 19 1 H1 SER 610 HT1 SER 610 18.009 7.086 -1.923 2 H2 SER 610 HT2 SER 610 17.335 5.723 -1.125 3 H3 SER 610 HT3 SER 610 16.401 6.603 -2.265 4 HA SER 610 HA SER 610 17.646 5.873 -4.039 5 HB2 SER 610 HB2 SER 610 19.680 4.329 -3.431 6 HB3 SER 610 HB1 SER 610 19.867 6.081 -3.365 7 HG SER 610 HG SER 610 20.527 4.622 -1.475 8 H GLN 611 HN GLN 611 17.424 3.821 -5.025 9 HA GLN 611 HA GLN 611 16.461 1.787 -5.352 10 HB2 GLN 611 HB2 GLN 611 17.648 1.578 -2.638 11 HB3 GLN 611 HB1 GLN 611 16.479 0.343 -3.087 12 HG2 GLN 611 HG2 GLN 611 18.663 -0.457 -3.605 13 HG3 GLN 611 HG1 GLN 611 17.824 -0.116 -5.118 14 HE21 GLN 611 HE21 GLN 611 19.494 0.324 -6.430 15 HE22 GLN 611 HE22 GLN 611 20.628 1.604 -6.183 16 H MET 612 HN MET 612 14.354 2.018 -5.770 17 HA MET 612 HA MET 612 12.430 3.086 -4.041 18 HB2 MET 612 HB2 MET 612 12.066 1.205 -6.379 19 HB3 MET 612 HB1 MET 612 10.770 2.103 -5.601 20 HG2 MET 612 HG2 MET 612 12.685 4.018 -6.235 21 HG3 MET 612 HG1 MET 612 12.637 2.942 -7.629 22 HE1 MET 612 HE1 MET 612 9.825 4.256 -9.585 23 HE2 MET 612 HE2 MET 612 10.749 2.780 -9.308 24 HE3 MET 612 HE3 MET 612 11.584 4.325 -9.475 25 H SER 613 HN SER 613 13.684 -0.144 -4.368 26 HA SER 613 HA SER 613 11.649 -1.624 -3.174 27 HB2 SER 613 HB2 SER 613 14.609 -2.142 -2.834 28 HB3 SER 613 HB1 SER 613 13.301 -3.324 -2.772 29 HG SER 613 HG SER 613 14.414 -2.007 -4.985 30 H ASP 614 HN ASP 614 13.963 0.552 -1.774 31 HA ASP 614 HA ASP 614 13.403 -0.370 0.932 32 HB2 ASP 614 HB2 ASP 614 15.713 0.395 0.029 33 HB3 ASP 614 HB1 ASP 614 15.083 2.026 0.248 34 H LEU 615 HN LEU 615 12.542 2.198 -1.251 35 HA LEU 615 HA LEU 615 11.454 3.919 0.773 36 HB2 LEU 615 HB2 LEU 615 10.715 4.058 -2.128 37 HB3 LEU 615 HB1 LEU 615 10.845 5.362 -0.963 38 HG LEU 615 HG LEU 615 13.132 3.844 -2.218 39 HD11 LEU 615 HD11 LEU 615 11.799 5.667 -3.494 40 HD12 LEU 615 HD12 LEU 615 13.562 5.725 -3.488 41 HD13 LEU 615 HD13 LEU 615 12.641 6.785 -2.420 42 HD21 LEU 615 HD21 LEU 615 14.601 5.326 -0.990 43 HD22 LEU 615 HD22 LEU 615 13.586 4.421 0.132 44 HD23 LEU 615 HD23 LEU 615 13.216 6.108 -0.227 45 HA PRO 616 HA PRO 616 7.491 1.970 1.096 46 HB2 PRO 616 HB2 PRO 616 6.093 3.944 2.264 47 HB3 PRO 616 HB1 PRO 616 7.378 3.083 3.118 48 HG2 PRO 616 HG2 PRO 616 7.454 5.760 1.782 49 HG3 PRO 616 HG1 PRO 616 8.139 5.269 3.342 50 HD2 PRO 616 HD2 PRO 616 9.603 5.475 1.037 51 HD3 PRO 616 HD1 PRO 616 10.020 4.385 2.374 52 H VAL 617 HN VAL 617 5.496 1.870 0.086 53 HA VAL 617 HA VAL 617 4.989 3.924 -1.970 54 HB VAL 617 HB VAL 617 4.214 1.014 -2.163 55 HG11 VAL 617 HG11 VAL 617 4.489 2.698 -4.562 56 HG12 VAL 617 HG12 VAL 617 3.155 3.116 -3.485 57 HG13 VAL 617 HG13 VAL 617 3.272 1.489 -4.154 58 HG21 VAL 617 HG21 VAL 617 6.085 0.605 -3.529 59 HG22 VAL 617 HG22 VAL 617 6.715 1.481 -2.134 60 HG23 VAL 617 HG23 VAL 617 6.464 2.322 -3.665 61 H LYS 618 HN LYS 618 3.053 4.897 -1.942 62 HA LYS 618 HA LYS 618 1.243 4.460 0.193 63 HB2 LYS 618 HB2 LYS 618 1.090 6.115 -2.319 64 HB3 LYS 618 HB1 LYS 618 -0.243 6.037 -1.174 65 HG2 LYS 618 HG2 LYS 618 0.791 7.870 -0.359 66 HG3 LYS 618 HG1 LYS 618 1.706 6.648 0.526 67 HD2 LYS 618 HD2 LYS 618 3.556 7.501 -0.368 68 HD3 LYS 618 HD1 LYS 618 3.004 6.890 -1.931 69 HE2 LYS 618 HE2 LYS 618 2.920 8.995 -2.642 70 HE3 LYS 618 HE1 LYS 618 1.590 9.266 -1.518 71 HZ1 LYS 618 HZ1 LYS 618 4.296 9.415 -0.438 72 HZ2 LYS 618 HZ2 LYS 618 2.925 10.325 -0.049 73 HZ3 LYS 618 HZ3 LYS 618 3.805 10.680 -1.449 74 H VAL 619 HN VAL 619 -1.112 4.086 -0.131 75 HA VAL 619 HA VAL 619 -1.890 2.520 -2.418 76 HB VAL 619 HB VAL 619 -2.535 0.524 -1.174 77 HG11 VAL 619 HG11 VAL 619 -0.285 0.753 -2.266 78 HG12 VAL 619 HG12 VAL 619 -0.397 -0.471 -1.002 79 HG13 VAL 619 HG13 VAL 619 0.373 1.078 -0.663 80 HG21 VAL 619 HG21 VAL 619 -1.954 0.148 1.102 81 HG22 VAL 619 HG22 VAL 619 -2.759 1.715 1.035 82 HG23 VAL 619 HG23 VAL 619 -1.003 1.631 1.171 83 H ILE 620 HN ILE 620 -4.117 2.391 -2.669 84 HA ILE 620 HA ILE 620 -5.719 3.723 -0.584 85 HB ILE 620 HB ILE 620 -5.401 5.220 -2.490 86 HG12 ILE 620 HG12 ILE 620 -7.668 4.868 -1.181 87 HG13 ILE 620 HG11 ILE 620 -7.579 5.966 -2.551 88 HG21 ILE 620 HG21 ILE 620 -5.031 3.536 -4.214 89 HG22 ILE 620 HG22 ILE 620 -6.282 4.682 -4.695 90 HG23 ILE 620 HG23 ILE 620 -6.730 3.072 -4.133 91 HD11 ILE 620 HD11 ILE 620 -8.904 4.671 -3.844 92 HD12 ILE 620 HD12 ILE 620 -9.498 4.151 -2.268 93 HD13 ILE 620 HD13 ILE 620 -8.323 3.165 -3.135 94 H HIS 621 HN HIS 621 -7.406 2.608 0.135 95 HA HIS 621 HA HIS 621 -8.063 0.060 -1.077 96 HB2 HIS 621 HB2 HIS 621 -7.902 0.767 1.490 97 HB3 HIS 621 HB1 HIS 621 -9.601 1.138 1.236 98 HD1 HIS 621 HD1 HIS 621 -8.796 -1.098 3.158 99 HD2 HIS 621 HD2 HIS 621 -9.676 -1.707 -0.855 100 HE1 HIS 621 HE1 HIS 621 -9.468 -3.513 2.976 101 HE2 HIS 621 HE2 HIS 621 -10.082 -3.835 0.554 102 H VAL 622 HN VAL 622 -9.860 -0.383 -2.247 103 HA VAL 622 HA VAL 622 -11.546 1.843 -3.027 104 HB VAL 622 HB VAL 622 -11.725 -1.017 -3.974 105 HG11 VAL 622 HG11 VAL 622 -13.502 0.968 -4.356 106 HG12 VAL 622 HG12 VAL 622 -13.202 -0.314 -5.530 107 HG13 VAL 622 HG13 VAL 622 -12.421 1.255 -5.720 108 HG21 VAL 622 HG21 VAL 622 -10.484 0.249 -5.996 109 HG22 VAL 622 HG22 VAL 622 -9.630 -0.631 -4.729 110 HG23 VAL 622 HG23 VAL 622 -9.798 1.121 -4.626 111 H GLU 623 HN GLU 623 -11.740 -1.048 -1.087 112 HA GLU 623 HA GLU 623 -14.566 -1.208 -0.934 113 HB2 GLU 623 HB2 GLU 623 -13.022 -3.075 -0.381 114 HB3 GLU 623 HB1 GLU 623 -12.525 -2.200 1.061 115 HG2 GLU 623 HG2 GLU 623 -14.115 -3.366 2.092 116 HG3 GLU 623 HG1 GLU 623 -15.237 -2.238 1.333 117 H SER 624 HN SER 624 -12.131 0.471 0.986 118 HA SER 624 HA SER 624 -14.289 1.634 2.617 119 HB2 SER 624 HB2 SER 624 -11.461 0.914 3.199 120 HB3 SER 624 HB1 SER 624 -12.112 2.343 4.002 121 HG SER 624 HG SER 624 -12.384 0.006 4.892 122 H GLY 625 HN GLY 625 -11.787 2.336 0.339 123 HA2 GLY 625 HA2 GLY 625 -11.535 4.287 -0.899 124 HA3 GLY 625 HA1 GLY 625 -12.711 5.069 0.144 125 H LYS 626 HN LYS 626 -10.401 3.575 2.046 126 HA LYS 626 HA LYS 626 -9.277 6.096 2.823 127 HB2 LYS 626 HB2 LYS 626 -9.541 3.506 3.965 128 HB3 LYS 626 HB1 LYS 626 -7.828 3.903 3.951 129 HG2 LYS 626 HG2 LYS 626 -8.472 6.105 5.022 130 HG3 LYS 626 HG1 LYS 626 -10.071 5.400 5.270 131 HD2 LYS 626 HD2 LYS 626 -7.843 3.694 6.127 132 HD3 LYS 626 HD1 LYS 626 -7.989 5.209 7.021 133 HE2 LYS 626 HE2 LYS 626 -10.593 4.294 6.845 134 HE3 LYS 626 HE1 LYS 626 -9.652 2.826 7.101 135 HZ1 LYS 626 HZ1 LYS 626 -8.546 4.219 8.957 136 HZ2 LYS 626 HZ2 LYS 626 -10.066 3.531 9.236 137 HZ3 LYS 626 HZ3 LYS 626 -9.938 5.174 8.852 138 H ILE 627 HN ILE 627 -7.053 6.669 2.785 139 HA ILE 627 HA ILE 627 -5.450 5.231 0.773 140 HB ILE 627 HB ILE 627 -5.486 8.231 1.108 141 HG12 ILE 627 HG12 ILE 627 -6.469 7.152 -1.425 142 HG13 ILE 627 HG11 ILE 627 -7.482 6.706 -0.056 143 HG21 ILE 627 HG21 ILE 627 -4.229 6.461 -0.985 144 HG22 ILE 627 HG22 ILE 627 -3.378 7.336 0.288 145 HG23 ILE 627 HG23 ILE 627 -4.214 8.225 -0.985 146 HD11 ILE 627 HD11 ILE 627 -6.729 9.511 -0.031 147 HD12 ILE 627 HD12 ILE 627 -8.316 8.758 0.116 148 HD13 ILE 627 HD13 ILE 627 -7.621 9.043 -1.478 149 H LEU 628 HN LEU 628 -3.717 4.404 1.734 150 HA LEU 628 HA LEU 628 -2.673 5.589 4.164 151 HB2 LEU 628 HB2 LEU 628 -1.634 3.178 2.681 152 HB3 LEU 628 HB1 LEU 628 -1.278 3.637 4.335 153 HG LEU 628 HG LEU 628 -4.059 2.930 3.427 154 HD11 LEU 628 HD11 LEU 628 -2.944 0.941 2.990 155 HD12 LEU 628 HD12 LEU 628 -3.494 0.734 4.652 156 HD13 LEU 628 HD13 LEU 628 -1.815 1.165 4.326 157 HD21 LEU 628 HD21 LEU 628 -4.392 3.891 5.448 158 HD22 LEU 628 HD22 LEU 628 -2.738 3.594 5.986 159 HD23 LEU 628 HD23 LEU 628 -3.926 2.290 6.022 160 H THR 629 HN THR 629 -0.824 6.732 4.352 161 HA THR 629 HA THR 629 0.483 7.588 1.908 162 HB THR 629 HB THR 629 1.830 8.726 4.081 163 HG1 THR 629 HG1 THR 629 -0.960 8.731 4.572 164 HG21 THR 629 HG21 THR 629 1.410 10.501 2.852 165 HG22 THR 629 HG22 THR 629 -0.273 10.460 3.377 166 HG23 THR 629 HG23 THR 629 0.216 9.601 1.917 167 H GLY 630 HN GLY 630 2.918 7.756 1.908 168 HA2 GLY 630 HA2 GLY 630 4.058 5.212 2.060 169 HA3 GLY 630 HA1 GLY 630 4.960 6.712 1.912 170 H THR 631 HN THR 631 3.517 7.439 4.605 171 HA THR 631 HA THR 631 5.721 6.635 6.242 172 HB THR 631 HB THR 631 4.106 7.743 8.038 173 HG1 THR 631 HG1 THR 631 2.732 9.229 7.041 174 HG21 THR 631 HG21 THR 631 6.068 8.895 7.615 175 HG22 THR 631 HG22 THR 631 4.812 10.034 7.126 176 HG23 THR 631 HG23 THR 631 5.690 9.111 5.906 177 H ASP 632 HN ASP 632 2.266 5.816 6.137 178 HA ASP 632 HA ASP 632 2.689 3.807 8.225 179 HB2 ASP 632 HB2 ASP 632 0.475 5.470 7.429 180 HB3 ASP 632 HB1 ASP 632 -0.010 3.776 7.409 181 H ALA 633 HN ALA 633 2.114 4.111 4.831 182 HA ALA 633 HA ALA 633 1.079 1.575 4.252 183 HB1 ALA 633 HB1 ALA 633 1.244 3.599 2.724 184 HB2 ALA 633 HB2 ALA 633 1.579 2.029 1.998 185 HB3 ALA 633 HB3 ALA 633 2.910 3.104 2.424 186 HA PRO 634 HA PRO 634 4.475 -1.201 4.731 187 HB2 PRO 634 HB2 PRO 634 4.102 -2.917 2.658 188 HB3 PRO 634 HB1 PRO 634 3.066 -2.902 4.090 189 HG2 PRO 634 HG2 PRO 634 2.604 -1.655 1.405 190 HG3 PRO 634 HG1 PRO 634 1.477 -2.578 2.417 191 HD2 PRO 634 HD2 PRO 634 1.434 0.115 2.316 192 HD3 PRO 634 HD1 PRO 634 1.045 -0.777 3.800 193 H LYS 635 HN LYS 635 6.450 -2.009 3.718 194 HA LYS 635 HA LYS 635 7.692 -0.016 2.094 195 HB2 LYS 635 HB2 LYS 635 8.721 -2.751 2.877 196 HB3 LYS 635 HB1 LYS 635 9.684 -1.427 2.235 197 HG2 LYS 635 HG2 LYS 635 9.547 -0.202 4.197 198 HG3 LYS 635 HG1 LYS 635 8.117 -1.073 4.755 199 HD2 LYS 635 HD2 LYS 635 9.714 -3.134 4.759 200 HD3 LYS 635 HD1 LYS 635 10.986 -1.911 4.798 201 HE2 LYS 635 HE2 LYS 635 10.552 -2.463 7.051 202 HE3 LYS 635 HE1 LYS 635 9.774 -0.905 6.778 203 HZ1 LYS 635 HZ1 LYS 635 7.687 -2.225 6.346 204 HZ2 LYS 635 HZ2 LYS 635 8.230 -2.207 7.947 205 HZ3 LYS 635 HZ3 LYS 635 8.497 -3.569 6.980 206 H ALA 636 HN ALA 636 9.055 -0.778 0.143 207 HA ALA 636 HA ALA 636 7.287 -1.555 -1.898 208 HB1 ALA 636 HB1 ALA 636 8.959 -0.359 -2.826 209 HB2 ALA 636 HB2 ALA 636 9.672 -1.954 -3.068 210 HB3 ALA 636 HB3 ALA 636 10.168 -0.964 -1.694 211 H GLY 637 HN GLY 637 9.735 -3.375 -0.105 212 HA2 GLY 637 HA2 GLY 637 9.448 -5.750 -1.677 213 HA3 GLY 637 HA1 GLY 637 10.291 -5.613 -0.143 214 H GLN 638 HN GLN 638 8.033 -4.623 1.352 215 HA GLN 638 HA GLN 638 6.674 -7.169 1.733 216 HB2 GLN 638 HB2 GLN 638 6.444 -4.674 3.414 217 HB3 GLN 638 HB1 GLN 638 5.979 -6.309 3.863 218 HG2 GLN 638 HG2 GLN 638 8.608 -6.640 3.260 219 HG3 GLN 638 HG1 GLN 638 8.595 -5.007 3.926 220 HE21 GLN 638 HE21 GLN 638 7.210 -4.839 5.980 221 HE22 GLN 638 HE22 GLN 638 7.467 -6.080 7.154 222 H LEU 639 HN LEU 639 6.073 -4.404 -0.018 223 HA LEU 639 HA LEU 639 3.402 -3.809 0.498 224 HB2 LEU 639 HB2 LEU 639 4.759 -2.400 -0.917 225 HB3 LEU 639 HB1 LEU 639 4.946 -3.690 -2.090 226 HG LEU 639 HG LEU 639 2.365 -3.566 -2.303 227 HD11 LEU 639 HD11 LEU 639 1.668 -2.192 -0.583 228 HD12 LEU 639 HD12 LEU 639 1.693 -1.086 -1.956 229 HD13 LEU 639 HD13 LEU 639 3.015 -1.073 -0.789 230 HD21 LEU 639 HD21 LEU 639 4.203 -2.795 -3.921 231 HD22 LEU 639 HD22 LEU 639 3.832 -1.169 -3.345 232 HD23 LEU 639 HD23 LEU 639 2.581 -2.135 -4.128 233 H GLU 640 HN GLU 640 4.750 -6.094 -1.883 234 HA GLU 640 HA GLU 640 2.409 -6.997 -3.017 235 HB2 GLU 640 HB2 GLU 640 5.133 -8.019 -2.719 236 HB3 GLU 640 HB1 GLU 640 3.931 -9.293 -2.873 237 HG2 GLU 640 HG2 GLU 640 3.515 -8.825 -5.028 238 HG3 GLU 640 HG1 GLU 640 3.661 -7.084 -4.787 239 H ALA 641 HN ALA 641 3.959 -8.128 -0.051 240 HA ALA 641 HA ALA 641 2.094 -10.192 0.486 241 HB1 ALA 641 HB1 ALA 641 4.271 -10.267 1.495 242 HB2 ALA 641 HB2 ALA 641 3.062 -10.150 2.773 243 HB3 ALA 641 HB3 ALA 641 3.994 -8.727 2.308 244 H TRP 642 HN TRP 642 2.314 -6.808 1.435 245 HA TRP 642 HA TRP 642 0.151 -6.870 3.272 246 HB2 TRP 642 HB2 TRP 642 2.007 -5.102 3.051 247 HB3 TRP 642 HB1 TRP 642 1.024 -4.417 1.760 248 HD1 TRP 642 HD1 TRP 642 1.276 -4.628 5.516 249 HE1 TRP 642 HE1 TRP 642 -0.581 -3.197 6.580 250 HE3 TRP 642 HE3 TRP 642 -1.474 -3.623 1.328 251 HZ2 TRP 642 HZ2 TRP 642 -2.902 -1.821 5.752 252 HZ3 TRP 642 HZ3 TRP 642 -3.498 -2.243 1.549 253 HH2 TRP 642 HH2 TRP 642 -4.196 -1.362 3.716 254 H LEU 643 HN LEU 643 0.401 -6.330 -0.180 255 HA LEU 643 HA LEU 643 -2.233 -5.332 -0.549 256 HB2 LEU 643 HB2 LEU 643 -0.129 -6.470 -2.347 257 HB3 LEU 643 HB1 LEU 643 -1.756 -6.244 -2.962 258 HG LEU 643 HG LEU 643 0.013 -4.074 -1.832 259 HD11 LEU 643 HD11 LEU 643 -0.669 -4.939 -4.616 260 HD12 LEU 643 HD12 LEU 643 0.907 -4.569 -3.918 261 HD13 LEU 643 HD13 LEU 643 -0.230 -3.267 -4.264 262 HD21 LEU 643 HD21 LEU 643 -1.781 -2.589 -2.788 263 HD22 LEU 643 HD22 LEU 643 -2.238 -3.502 -1.351 264 HD23 LEU 643 HD23 LEU 643 -2.784 -4.031 -2.942 265 H GLU 644 HN GLU 644 -0.784 -8.558 -0.920 266 HA GLU 644 HA GLU 644 -3.121 -9.881 -1.744 267 HB2 GLU 644 HB2 GLU 644 -1.967 -11.948 -0.955 268 HB3 GLU 644 HB1 GLU 644 -0.984 -10.950 -2.017 269 HG2 GLU 644 HG2 GLU 644 0.219 -10.064 -0.103 270 HG3 GLU 644 HG1 GLU 644 -0.791 -11.014 0.986 271 H MET 645 HN MET 645 -1.781 -9.242 1.465 272 HA MET 645 HA MET 645 -3.809 -10.712 2.853 273 HB2 MET 645 HB2 MET 645 -1.521 -10.244 3.762 274 HB3 MET 645 HB1 MET 645 -1.988 -8.558 3.939 275 HG2 MET 645 HG2 MET 645 -2.169 -9.717 6.049 276 HG3 MET 645 HG1 MET 645 -3.759 -9.207 5.487 277 HE1 MET 645 HE1 MET 645 -4.897 -12.445 7.186 278 HE2 MET 645 HE2 MET 645 -5.210 -10.734 6.901 279 HE3 MET 645 HE3 MET 645 -3.768 -11.231 7.788 280 H ASN 646 HN ASN 646 -3.359 -7.395 1.834 281 HA ASN 646 HA ASN 646 -5.994 -6.714 2.968 282 HB2 ASN 646 HB2 ASN 646 -3.732 -4.829 2.262 283 HB3 ASN 646 HB1 ASN 646 -5.265 -4.382 2.999 284 HD21 ASN 646 HD21 ASN 646 -2.143 -5.746 3.498 285 HD22 ASN 646 HD22 ASN 646 -2.228 -5.855 5.220 286 HA PRO 647 HA PRO 647 -6.383 -6.805 -1.681 287 HB2 PRO 647 HB2 PRO 647 -8.909 -7.856 -1.637 288 HB3 PRO 647 HB1 PRO 647 -7.438 -8.834 -1.674 289 HG2 PRO 647 HG2 PRO 647 -9.165 -8.099 0.656 290 HG3 PRO 647 HG1 PRO 647 -8.413 -9.658 0.266 291 HD2 PRO 647 HD2 PRO 647 -7.368 -7.995 2.108 292 HD3 PRO 647 HD1 PRO 647 -6.343 -9.001 1.064 293 H GLY 648 HN GLY 648 -7.487 -5.362 -2.948 294 HA2 GLY 648 HA2 GLY 648 -9.342 -3.900 -3.391 295 HA3 GLY 648 HA1 GLY 648 -9.554 -3.713 -1.657 296 H TYR 649 HN TYR 649 -6.328 -3.553 -2.021 297 HA TYR 649 HA TYR 649 -6.385 -0.637 -2.031 298 HB2 TYR 649 HB2 TYR 649 -4.568 -2.710 -0.940 299 HB3 TYR 649 HB1 TYR 649 -3.821 -1.204 -1.458 300 HD1 TYR 649 HD1 TYR 649 -4.141 0.827 -0.220 301 HD2 TYR 649 HD2 TYR 649 -6.218 -2.714 0.889 302 HE1 TYR 649 HE1 TYR 649 -4.752 1.872 1.922 303 HE2 TYR 649 HE2 TYR 649 -6.840 -1.681 3.034 304 HH TYR 649 HH TYR 649 -5.477 0.599 4.445 305 H GLU 650 HN GLU 650 -4.803 0.580 -3.224 306 HA GLU 650 HA GLU 650 -3.531 -0.764 -5.481 307 HB2 GLU 650 HB2 GLU 650 -5.697 1.302 -5.687 308 HB3 GLU 650 HB1 GLU 650 -4.445 1.221 -6.920 309 HG2 GLU 650 HG2 GLU 650 -6.141 -1.130 -6.128 310 HG3 GLU 650 HG1 GLU 650 -6.558 -0.021 -7.433 311 H VAL 651 HN VAL 651 -1.730 0.339 -6.291 312 HA VAL 651 HA VAL 651 -0.259 1.881 -4.520 313 HB VAL 651 HB VAL 651 0.044 1.958 -7.523 314 HG11 VAL 651 HG11 VAL 651 2.513 2.134 -6.745 315 HG12 VAL 651 HG12 VAL 651 1.812 2.655 -5.213 316 HG13 VAL 651 HG13 VAL 651 1.486 3.566 -6.688 317 HG21 VAL 651 HG21 VAL 651 0.111 -0.303 -5.890 318 HG22 VAL 651 HG22 VAL 651 1.802 0.120 -6.158 319 HG23 VAL 651 HG23 VAL 651 0.734 -0.158 -7.533 320 H ALA 652 HN ALA 652 -0.461 3.908 -3.840 321 HA ALA 652 HA ALA 652 -2.177 5.748 -5.305 322 HB1 ALA 652 HB1 ALA 652 -1.796 5.276 -2.622 323 HB2 ALA 652 HB2 ALA 652 -2.634 6.662 -3.320 324 HB3 ALA 652 HB3 ALA 652 -0.928 6.788 -2.889 325 HA PRO 653 HA PRO 653 0.970 8.073 -7.340 326 HB2 PRO 653 HB2 PRO 653 -0.480 10.487 -6.382 327 HB3 PRO 653 HB1 PRO 653 -0.019 10.030 -8.025 328 HG2 PRO 653 HG2 PRO 653 -2.548 9.828 -7.215 329 HG3 PRO 653 HG1 PRO 653 -1.829 8.603 -8.278 330 HD2 PRO 653 HD2 PRO 653 -2.399 8.476 -5.348 331 HD3 PRO 653 HD1 PRO 653 -2.529 7.205 -6.582 332 H ARG 654 HN ARG 654 2.718 9.534 -6.942 333 HA ARG 654 HA ARG 654 3.846 9.329 -4.384 334 HB2 ARG 654 HB2 ARG 654 4.682 10.178 -6.922 335 HB3 ARG 654 HB1 ARG 654 4.930 11.563 -5.868 336 HG2 ARG 654 HG2 ARG 654 5.996 9.673 -4.319 337 HG3 ARG 654 HG1 ARG 654 6.272 8.931 -5.897 338 HD2 ARG 654 HD2 ARG 654 8.179 10.296 -5.203 339 HD3 ARG 654 HD1 ARG 654 7.418 10.940 -6.657 340 HE ARG 654 HE ARG 654 6.254 12.258 -4.527 341 HH11 ARG 654 HH11 ARG 654 9.461 11.909 -5.860 342 HH12 ARG 654 HH12 ARG 654 9.988 13.468 -5.325 343 HH21 ARG 654 HH21 ARG 654 6.946 14.310 -3.823 344 HH22 ARG 654 HH22 ARG 654 8.562 14.832 -4.168 345 H SER 655 HN SER 655 4.797 11.520 -3.387 346 HA SER 655 HA SER 655 2.653 12.772 -2.091 347 HB2 SER 655 HB2 SER 655 4.843 12.668 -1.056 348 HB3 SER 655 HB1 SER 655 5.540 13.641 -2.350 349 HG SER 655 HG SER 655 4.470 15.406 -1.612 350 H ASP 656 HN ASP 656 4.423 13.610 -4.984 351 HA ASP 656 HA ASP 656 3.438 16.289 -5.164 352 HB2 ASP 656 HB2 ASP 656 5.507 15.066 -6.325 353 HB3 ASP 656 HB1 ASP 656 4.323 14.835 -7.608 354 H SER 657 HN SER 657 1.168 15.928 -4.837 355 HA SER 657 HA SER 657 -0.191 15.137 -7.320 356 HB2 SER 657 HB2 SER 657 -0.387 13.354 -5.555 357 HB3 SER 657 HB1 SER 657 -1.248 14.522 -4.554 358 HG SER 657 HG SER 657 -2.133 13.065 -6.681 359 H GLU 658 HN GLU 658 -2.555 15.919 -7.257 360 HA GLU 658 HA GLU 658 -2.992 18.334 -5.720 361 HB2 GLU 658 HB2 GLU 658 -1.673 18.715 -8.032 362 HB3 GLU 658 HB1 GLU 658 -3.323 18.741 -8.639 363 HG2 GLU 658 HG2 GLU 658 -3.838 20.486 -6.930 364 HG3 GLU 658 HG1 GLU 658 -2.117 20.537 -6.552 Start of MODEL 20 1 H1 SER 610 HT1 SER 610 22.032 6.157 -2.881 2 H2 SER 610 HT2 SER 610 21.347 4.719 -2.243 3 H3 SER 610 HT3 SER 610 21.667 6.052 -1.210 4 HA SER 610 HA SER 610 20.006 7.329 -2.152 5 HB2 SER 610 HB2 SER 610 20.395 5.418 -4.360 6 HB3 SER 610 HB1 SER 610 18.712 5.858 -4.072 7 HG SER 610 HG SER 610 20.768 7.789 -4.287 8 H GLN 611 HN GLN 611 19.525 3.803 -2.471 9 HA GLN 611 HA GLN 611 18.080 2.367 -1.460 10 HB2 GLN 611 HB2 GLN 611 18.426 4.461 0.663 11 HB3 GLN 611 HB1 GLN 611 17.310 3.123 0.902 12 HG2 GLN 611 HG2 GLN 611 19.009 1.918 1.637 13 HG3 GLN 611 HG1 GLN 611 19.683 1.957 0.009 14 HE21 GLN 611 HE21 GLN 611 20.615 2.253 2.998 15 HE22 GLN 611 HE22 GLN 611 21.797 3.506 2.884 16 H MET 612 HN MET 612 17.050 4.363 -3.275 17 HA MET 612 HA MET 612 14.589 5.392 -2.270 18 HB2 MET 612 HB2 MET 612 16.123 5.620 -4.655 19 HB3 MET 612 HB1 MET 612 14.499 5.124 -5.113 20 HG2 MET 612 HG2 MET 612 14.439 7.450 -5.162 21 HG3 MET 612 HG1 MET 612 13.680 7.023 -3.630 22 HE1 MET 612 HE1 MET 612 15.572 10.397 -2.872 23 HE2 MET 612 HE2 MET 612 14.005 9.588 -2.924 24 HE3 MET 612 HE3 MET 612 14.860 9.952 -4.422 25 H SER 613 HN SER 613 15.567 2.433 -3.842 26 HA SER 613 HA SER 613 12.966 1.535 -4.549 27 HB2 SER 613 HB2 SER 613 15.674 0.292 -4.362 28 HB3 SER 613 HB1 SER 613 14.273 -0.774 -4.438 29 HG SER 613 HG SER 613 13.656 0.393 -6.355 30 H ASP 614 HN ASP 614 14.711 1.614 -1.582 31 HA ASP 614 HA ASP 614 13.031 -0.426 -0.351 32 HB2 ASP 614 HB2 ASP 614 15.555 -0.134 0.076 33 HB3 ASP 614 HB1 ASP 614 15.092 1.239 1.077 34 H LEU 615 HN LEU 615 12.163 2.394 -1.251 35 HA LEU 615 HA LEU 615 11.301 3.529 1.290 36 HB2 LEU 615 HB2 LEU 615 10.785 4.511 -1.517 37 HB3 LEU 615 HB1 LEU 615 10.471 5.393 -0.034 38 HG LEU 615 HG LEU 615 13.213 4.571 -0.995 39 HD11 LEU 615 HD11 LEU 615 13.519 6.955 -1.490 40 HD12 LEU 615 HD12 LEU 615 11.825 7.245 -1.094 41 HD13 LEU 615 HD13 LEU 615 12.246 6.232 -2.474 42 HD21 LEU 615 HD21 LEU 615 12.897 6.713 0.984 43 HD22 LEU 615 HD22 LEU 615 14.068 5.398 0.910 44 HD23 LEU 615 HD23 LEU 615 12.454 5.106 1.557 45 HA PRO 616 HA PRO 616 7.262 1.761 1.167 46 HB2 PRO 616 HB2 PRO 616 5.820 3.649 2.464 47 HB3 PRO 616 HB1 PRO 616 6.983 2.606 3.291 48 HG2 PRO 616 HG2 PRO 616 7.309 5.427 2.341 49 HG3 PRO 616 HG1 PRO 616 7.819 4.697 3.875 50 HD2 PRO 616 HD2 PRO 616 9.528 5.117 1.810 51 HD3 PRO 616 HD1 PRO 616 9.712 3.768 2.949 52 H VAL 617 HN VAL 617 5.339 1.811 0.029 53 HA VAL 617 HA VAL 617 4.975 4.105 -1.789 54 HB VAL 617 HB VAL 617 4.193 1.251 -2.382 55 HG11 VAL 617 HG11 VAL 617 3.498 1.961 -4.433 56 HG12 VAL 617 HG12 VAL 617 4.619 3.323 -4.467 57 HG13 VAL 617 HG13 VAL 617 3.148 3.413 -3.496 58 HG21 VAL 617 HG21 VAL 617 6.135 1.155 -3.857 59 HG22 VAL 617 HG22 VAL 617 6.626 1.425 -2.185 60 HG23 VAL 617 HG23 VAL 617 6.624 2.766 -3.331 61 H LYS 618 HN LYS 618 3.172 5.207 -1.429 62 HA LYS 618 HA LYS 618 1.210 4.532 0.417 63 HB2 LYS 618 HB2 LYS 618 0.800 6.314 -1.986 64 HB3 LYS 618 HB1 LYS 618 -0.080 6.366 -0.467 65 HG2 LYS 618 HG2 LYS 618 1.343 7.958 0.143 66 HG3 LYS 618 HG1 LYS 618 2.540 6.674 0.314 67 HD2 LYS 618 HD2 LYS 618 3.704 7.979 -1.120 68 HD3 LYS 618 HD1 LYS 618 2.741 7.114 -2.321 69 HE2 LYS 618 HE2 LYS 618 2.271 9.216 -3.016 70 HE3 LYS 618 HE1 LYS 618 1.047 9.109 -1.752 71 HZ1 LYS 618 HZ1 LYS 618 2.894 10.054 -0.260 72 HZ2 LYS 618 HZ2 LYS 618 2.091 11.106 -1.313 73 HZ3 LYS 618 HZ3 LYS 618 3.631 10.527 -1.708 74 H VAL 619 HN VAL 619 -1.205 4.407 -0.195 75 HA VAL 619 HA VAL 619 -1.809 2.933 -2.595 76 HB VAL 619 HB VAL 619 -2.800 0.995 -1.323 77 HG11 VAL 619 HG11 VAL 619 0.184 1.145 -1.013 78 HG12 VAL 619 HG12 VAL 619 -0.599 1.006 -2.587 79 HG13 VAL 619 HG13 VAL 619 -0.814 -0.262 -1.381 80 HG21 VAL 619 HG21 VAL 619 -1.782 0.516 0.894 81 HG22 VAL 619 HG22 VAL 619 -2.855 1.915 0.895 82 HG23 VAL 619 HG23 VAL 619 -1.106 2.145 0.890 83 H ILE 620 HN ILE 620 -4.114 2.459 -2.801 84 HA ILE 620 HA ILE 620 -5.779 4.160 -1.064 85 HB ILE 620 HB ILE 620 -5.502 5.253 -3.227 86 HG12 ILE 620 HG12 ILE 620 -7.859 5.514 -3.823 87 HG13 ILE 620 HG11 ILE 620 -8.257 4.021 -2.977 88 HG21 ILE 620 HG21 ILE 620 -5.042 3.113 -4.465 89 HG22 ILE 620 HG22 ILE 620 -6.093 4.259 -5.298 90 HG23 ILE 620 HG23 ILE 620 -6.786 2.848 -4.499 91 HD11 ILE 620 HD11 ILE 620 -8.552 5.148 -1.104 92 HD12 ILE 620 HD12 ILE 620 -8.194 6.647 -1.963 93 HD13 ILE 620 HD13 ILE 620 -6.897 5.750 -1.178 94 H HIS 621 HN HIS 621 -7.448 3.160 -0.148 95 HA HIS 621 HA HIS 621 -8.038 0.413 -0.928 96 HB2 HIS 621 HB2 HIS 621 -7.675 1.306 1.498 97 HB3 HIS 621 HB1 HIS 621 -9.344 1.839 1.366 98 HD1 HIS 621 HD1 HIS 621 -9.049 -0.111 3.485 99 HD2 HIS 621 HD2 HIS 621 -9.452 -1.335 -0.465 100 HE1 HIS 621 HE1 HIS 621 -9.861 -2.489 3.597 101 HE2 HIS 621 HE2 HIS 621 -10.158 -3.187 1.195 102 H VAL 622 HN VAL 622 -9.809 -0.164 -2.032 103 HA VAL 622 HA VAL 622 -11.688 1.902 -2.829 104 HB VAL 622 HB VAL 622 -11.679 -1.000 -3.659 105 HG11 VAL 622 HG11 VAL 622 -13.149 1.437 -4.514 106 HG12 VAL 622 HG12 VAL 622 -13.707 -0.230 -4.372 107 HG13 VAL 622 HG13 VAL 622 -12.711 0.253 -5.745 108 HG21 VAL 622 HG21 VAL 622 -9.663 -0.472 -4.533 109 HG22 VAL 622 HG22 VAL 622 -9.975 1.263 -4.487 110 HG23 VAL 622 HG23 VAL 622 -10.649 0.280 -5.787 111 H GLU 623 HN GLU 623 -11.568 -0.890 -0.753 112 HA GLU 623 HA GLU 623 -14.361 -1.279 -0.475 113 HB2 GLU 623 HB2 GLU 623 -12.078 -2.599 0.363 114 HB3 GLU 623 HB1 GLU 623 -12.782 -2.017 1.865 115 HG2 GLU 623 HG2 GLU 623 -14.764 -3.195 0.107 116 HG3 GLU 623 HG1 GLU 623 -13.465 -4.318 0.511 117 H SER 624 HN SER 624 -12.012 0.703 1.255 118 HA SER 624 HA SER 624 -14.221 1.796 2.871 119 HB2 SER 624 HB2 SER 624 -11.260 1.698 3.488 120 HB3 SER 624 HB1 SER 624 -12.472 2.494 4.492 121 HG SER 624 HG SER 624 -11.820 0.205 4.979 122 H GLY 625 HN GLY 625 -11.738 2.540 0.576 123 HA2 GLY 625 HA2 GLY 625 -11.611 4.471 -0.729 124 HA3 GLY 625 HA1 GLY 625 -12.778 5.236 0.336 125 H LYS 626 HN LYS 626 -10.397 3.853 2.214 126 HA LYS 626 HA LYS 626 -9.314 6.415 2.907 127 HB2 LYS 626 HB2 LYS 626 -9.693 4.114 4.290 128 HB3 LYS 626 HB1 LYS 626 -7.977 3.987 3.927 129 HG2 LYS 626 HG2 LYS 626 -7.555 6.115 4.990 130 HG3 LYS 626 HG1 LYS 626 -9.282 6.342 5.275 131 HD2 LYS 626 HD2 LYS 626 -8.836 5.444 7.288 132 HD3 LYS 626 HD1 LYS 626 -8.877 3.911 6.415 133 HE2 LYS 626 HE2 LYS 626 -6.292 4.873 6.039 134 HE3 LYS 626 HE1 LYS 626 -6.663 5.235 7.724 135 HZ1 LYS 626 HZ1 LYS 626 -5.915 3.123 7.949 136 HZ2 LYS 626 HZ2 LYS 626 -6.389 2.649 6.397 137 HZ3 LYS 626 HZ3 LYS 626 -7.538 2.763 7.632 138 H ILE 627 HN ILE 627 -7.039 6.936 2.937 139 HA ILE 627 HA ILE 627 -5.500 5.587 0.814 140 HB ILE 627 HB ILE 627 -5.346 8.542 1.392 141 HG12 ILE 627 HG12 ILE 627 -6.558 7.838 -1.155 142 HG13 ILE 627 HG11 ILE 627 -7.509 7.238 0.199 143 HG21 ILE 627 HG21 ILE 627 -4.509 8.216 -1.146 144 HG22 ILE 627 HG22 ILE 627 -4.017 6.670 -0.451 145 HG23 ILE 627 HG23 ILE 627 -3.437 8.180 0.254 146 HD11 ILE 627 HD11 ILE 627 -6.578 10.083 -0.012 147 HD12 ILE 627 HD12 ILE 627 -7.789 9.410 1.080 148 HD13 ILE 627 HD13 ILE 627 -8.121 9.515 -0.650 149 H LEU 628 HN LEU 628 -3.769 4.634 1.677 150 HA LEU 628 HA LEU 628 -2.665 5.625 4.178 151 HB2 LEU 628 HB2 LEU 628 -1.856 3.204 2.567 152 HB3 LEU 628 HB1 LEU 628 -1.330 3.592 4.192 153 HG LEU 628 HG LEU 628 -4.223 3.112 3.515 154 HD11 LEU 628 HD11 LEU 628 -3.934 0.836 4.326 155 HD12 LEU 628 HD12 LEU 628 -2.202 1.109 4.512 156 HD13 LEU 628 HD13 LEU 628 -2.929 1.126 2.905 157 HD21 LEU 628 HD21 LEU 628 -2.639 3.601 5.962 158 HD22 LEU 628 HD22 LEU 628 -3.915 2.389 6.072 159 HD23 LEU 628 HD23 LEU 628 -4.304 4.037 5.579 160 H THR 629 HN THR 629 -0.831 6.757 4.363 161 HA THR 629 HA THR 629 0.573 7.524 1.942 162 HB THR 629 HB THR 629 1.371 9.335 3.096 163 HG1 THR 629 HG1 THR 629 2.033 9.286 5.204 164 HG21 THR 629 HG21 THR 629 -1.229 8.841 3.692 165 HG22 THR 629 HG22 THR 629 -0.357 10.318 4.105 166 HG23 THR 629 HG23 THR 629 -0.524 9.030 5.298 167 H GLY 630 HN GLY 630 3.019 7.601 2.025 168 HA2 GLY 630 HA2 GLY 630 4.095 5.069 2.134 169 HA3 GLY 630 HA1 GLY 630 5.047 6.541 2.228 170 H THR 631 HN THR 631 3.492 7.199 4.785 171 HA THR 631 HA THR 631 5.421 6.147 6.579 172 HB THR 631 HB THR 631 2.807 7.402 7.388 173 HG1 THR 631 HG1 THR 631 5.167 8.751 6.584 174 HG21 THR 631 HG21 THR 631 5.095 6.630 8.834 175 HG22 THR 631 HG22 THR 631 3.686 7.523 9.405 176 HG23 THR 631 HG23 THR 631 5.083 8.393 8.771 177 H ASP 632 HN ASP 632 1.989 5.408 6.031 178 HA ASP 632 HA ASP 632 2.168 3.208 7.956 179 HB2 ASP 632 HB2 ASP 632 -0.035 4.831 6.824 180 HB3 ASP 632 HB1 ASP 632 -0.408 3.140 7.149 181 H ALA 633 HN ALA 633 2.040 3.814 4.568 182 HA ALA 633 HA ALA 633 0.981 1.399 3.633 183 HB1 ALA 633 HB1 ALA 633 2.751 2.108 1.681 184 HB2 ALA 633 HB2 ALA 633 2.489 3.642 2.511 185 HB3 ALA 633 HB3 ALA 633 1.117 2.749 1.853 186 HA PRO 634 HA PRO 634 4.224 -1.531 4.288 187 HB2 PRO 634 HB2 PRO 634 3.876 -3.222 2.224 188 HB3 PRO 634 HB1 PRO 634 2.693 -3.088 3.531 189 HG2 PRO 634 HG2 PRO 634 2.644 -1.853 0.802 190 HG3 PRO 634 HG1 PRO 634 1.335 -2.656 1.687 191 HD2 PRO 634 HD2 PRO 634 1.601 0.049 1.562 192 HD3 PRO 634 HD1 PRO 634 0.873 -0.789 2.946 193 H LYS 635 HN LYS 635 6.203 -2.441 3.383 194 HA LYS 635 HA LYS 635 7.656 -0.515 1.853 195 HB2 LYS 635 HB2 LYS 635 8.472 -3.310 2.674 196 HB3 LYS 635 HB1 LYS 635 9.548 -2.046 2.097 197 HG2 LYS 635 HG2 LYS 635 8.487 -0.735 4.145 198 HG3 LYS 635 HG1 LYS 635 8.253 -2.380 4.738 199 HD2 LYS 635 HD2 LYS 635 10.502 -2.786 4.906 200 HD3 LYS 635 HD1 LYS 635 10.911 -1.650 3.619 201 HE2 LYS 635 HE2 LYS 635 10.421 0.222 5.107 202 HE3 LYS 635 HE1 LYS 635 9.980 -0.904 6.389 203 HZ1 LYS 635 HZ1 LYS 635 12.575 -1.464 5.353 204 HZ2 LYS 635 HZ2 LYS 635 12.101 -1.150 6.946 205 HZ3 LYS 635 HZ3 LYS 635 12.472 0.132 5.907 206 H ALA 636 HN ALA 636 9.160 -1.496 0.032 207 HA ALA 636 HA ALA 636 7.506 -2.034 -2.171 208 HB1 ALA 636 HB1 ALA 636 10.453 -2.631 -2.050 209 HB2 ALA 636 HB2 ALA 636 9.806 -0.997 -2.202 210 HB3 ALA 636 HB3 ALA 636 9.486 -2.192 -3.459 211 H GLY 637 HN GLY 637 9.682 -4.187 -0.350 212 HA2 GLY 637 HA2 GLY 637 8.953 -6.503 -1.868 213 HA3 GLY 637 HA1 GLY 637 9.892 -6.484 -0.384 214 H GLN 638 HN GLN 638 7.914 -5.137 1.210 215 HA GLN 638 HA GLN 638 6.307 -7.427 1.883 216 HB2 GLN 638 HB2 GLN 638 6.907 -4.790 3.115 217 HB3 GLN 638 HB1 GLN 638 5.403 -5.573 3.583 218 HG2 GLN 638 HG2 GLN 638 6.545 -6.758 5.056 219 HG3 GLN 638 HG1 GLN 638 7.352 -7.568 3.714 220 HE21 GLN 638 HE21 GLN 638 7.568 -4.286 5.041 221 HE22 GLN 638 HE22 GLN 638 9.274 -4.321 5.309 222 H LEU 639 HN LEU 639 5.882 -4.762 -0.160 223 HA LEU 639 HA LEU 639 3.207 -4.087 0.177 224 HB2 LEU 639 HB2 LEU 639 4.630 -2.810 -1.280 225 HB3 LEU 639 HB1 LEU 639 4.889 -4.194 -2.323 226 HG LEU 639 HG LEU 639 2.297 -4.077 -2.667 227 HD11 LEU 639 HD11 LEU 639 1.432 -1.793 -2.564 228 HD12 LEU 639 HD12 LEU 639 2.934 -1.257 -1.812 229 HD13 LEU 639 HD13 LEU 639 1.878 -2.387 -0.965 230 HD21 LEU 639 HD21 LEU 639 4.310 -3.518 -4.233 231 HD22 LEU 639 HD22 LEU 639 3.796 -1.852 -3.970 232 HD23 LEU 639 HD23 LEU 639 2.677 -3.021 -4.671 233 H GLU 640 HN GLU 640 4.621 -6.633 -1.868 234 HA GLU 640 HA GLU 640 2.312 -7.565 -3.066 235 HB2 GLU 640 HB2 GLU 640 4.934 -8.783 -2.371 236 HB3 GLU 640 HB1 GLU 640 3.636 -9.869 -2.845 237 HG2 GLU 640 HG2 GLU 640 3.422 -8.807 -4.968 238 HG3 GLU 640 HG1 GLU 640 4.522 -7.514 -4.491 239 H ALA 641 HN ALA 641 3.769 -8.681 -0.033 240 HA ALA 641 HA ALA 641 1.702 -10.517 0.587 241 HB1 ALA 641 HB1 ALA 641 3.535 -11.076 1.791 242 HB2 ALA 641 HB2 ALA 641 2.766 -10.048 3.000 243 HB3 ALA 641 HB3 ALA 641 4.055 -9.402 1.984 244 H TRP 642 HN TRP 642 2.220 -7.121 1.302 245 HA TRP 642 HA TRP 642 0.189 -6.872 3.262 246 HB2 TRP 642 HB2 TRP 642 2.096 -5.246 2.795 247 HB3 TRP 642 HB1 TRP 642 1.135 -4.662 1.440 248 HD1 TRP 642 HD1 TRP 642 1.472 -4.388 5.181 249 HE1 TRP 642 HE1 TRP 642 -0.270 -2.719 6.079 250 HE3 TRP 642 HE3 TRP 642 -1.346 -3.804 0.957 251 HZ2 TRP 642 HZ2 TRP 642 -2.539 -1.338 5.122 252 HZ3 TRP 642 HZ3 TRP 642 -3.283 -2.292 1.032 253 HH2 TRP 642 HH2 TRP 642 -3.867 -1.085 3.072 254 H LEU 643 HN LEU 643 0.232 -6.528 -0.245 255 HA LEU 643 HA LEU 643 -2.418 -5.524 -0.472 256 HB2 LEU 643 HB2 LEU 643 -0.294 -6.428 -2.278 257 HB3 LEU 643 HB1 LEU 643 -1.908 -6.771 -2.871 258 HG LEU 643 HG LEU 643 -1.269 -4.017 -1.899 259 HD11 LEU 643 HD11 LEU 643 0.431 -3.923 -3.366 260 HD12 LEU 643 HD12 LEU 643 -0.860 -3.783 -4.559 261 HD13 LEU 643 HD13 LEU 643 -0.112 -5.350 -4.249 262 HD21 LEU 643 HD21 LEU 643 -2.827 -3.678 -4.008 263 HD22 LEU 643 HD22 LEU 643 -3.487 -4.093 -2.426 264 HD23 LEU 643 HD23 LEU 643 -3.270 -5.346 -3.647 265 H GLU 644 HN GLU 644 -0.984 -8.754 -0.699 266 HA GLU 644 HA GLU 644 -3.313 -10.144 -1.423 267 HB2 GLU 644 HB2 GLU 644 -0.985 -11.147 0.227 268 HB3 GLU 644 HB1 GLU 644 -2.158 -12.146 -0.620 269 HG2 GLU 644 HG2 GLU 644 -1.059 -10.349 -2.504 270 HG3 GLU 644 HG1 GLU 644 0.275 -11.041 -1.583 271 H MET 645 HN MET 645 -2.002 -9.226 1.721 272 HA MET 645 HA MET 645 -4.050 -10.610 3.192 273 HB2 MET 645 HB2 MET 645 -1.549 -9.515 3.795 274 HB3 MET 645 HB1 MET 645 -2.695 -8.522 4.685 275 HG2 MET 645 HG2 MET 645 -3.589 -10.457 5.792 276 HG3 MET 645 HG1 MET 645 -2.586 -11.525 4.814 277 HE1 MET 645 HE1 MET 645 -2.736 -9.373 8.100 278 HE2 MET 645 HE2 MET 645 -2.202 -8.253 6.847 279 HE3 MET 645 HE3 MET 645 -1.098 -8.718 8.141 280 H ASN 646 HN ASN 646 -3.467 -7.328 2.081 281 HA ASN 646 HA ASN 646 -6.055 -6.512 3.225 282 HB2 ASN 646 HB2 ASN 646 -3.790 -4.734 2.299 283 HB3 ASN 646 HB1 ASN 646 -5.264 -4.216 3.108 284 HD21 ASN 646 HD21 ASN 646 -2.120 -5.524 3.476 285 HD22 ASN 646 HD22 ASN 646 -2.105 -5.587 5.202 286 HA PRO 647 HA PRO 647 -6.735 -6.799 -1.356 287 HB2 PRO 647 HB2 PRO 647 -9.274 -7.751 -1.155 288 HB3 PRO 647 HB1 PRO 647 -7.848 -8.794 -1.140 289 HG2 PRO 647 HG2 PRO 647 -9.483 -7.785 1.157 290 HG3 PRO 647 HG1 PRO 647 -8.823 -9.408 0.881 291 HD2 PRO 647 HD2 PRO 647 -7.651 -7.634 2.550 292 HD3 PRO 647 HD1 PRO 647 -6.714 -8.810 1.605 293 H GLY 648 HN GLY 648 -7.839 -5.359 -2.634 294 HA2 GLY 648 HA2 GLY 648 -9.656 -3.843 -3.052 295 HA3 GLY 648 HA1 GLY 648 -9.775 -3.573 -1.320 296 H TYR 649 HN TYR 649 -6.624 -3.502 -1.566 297 HA TYR 649 HA TYR 649 -6.544 -0.612 -1.823 298 HB2 TYR 649 HB2 TYR 649 -4.744 -2.703 -0.701 299 HB3 TYR 649 HB1 TYR 649 -4.014 -1.194 -1.236 300 HD1 TYR 649 HD1 TYR 649 -4.288 0.821 0.014 301 HD2 TYR 649 HD2 TYR 649 -6.421 -2.687 1.123 302 HE1 TYR 649 HE1 TYR 649 -4.889 1.876 2.153 303 HE2 TYR 649 HE2 TYR 649 -7.034 -1.644 3.265 304 HH TYR 649 HH TYR 649 -5.833 0.362 4.747 305 H GLU 650 HN GLU 650 -4.779 0.426 -3.036 306 HA GLU 650 HA GLU 650 -3.684 -1.089 -5.265 307 HB2 GLU 650 HB2 GLU 650 -5.655 1.165 -5.573 308 HB3 GLU 650 HB1 GLU 650 -4.498 0.778 -6.839 309 HG2 GLU 650 HG2 GLU 650 -5.536 -1.663 -6.378 310 HG3 GLU 650 HG1 GLU 650 -6.922 -0.648 -5.984 311 H VAL 651 HN VAL 651 -1.847 -0.155 -6.171 312 HA VAL 651 HA VAL 651 -0.273 1.446 -4.513 313 HB VAL 651 HB VAL 651 0.082 1.164 -7.497 314 HG11 VAL 651 HG11 VAL 651 2.557 1.123 -6.392 315 HG12 VAL 651 HG12 VAL 651 1.714 2.210 -5.289 316 HG13 VAL 651 HG13 VAL 651 1.767 2.573 -7.014 317 HG21 VAL 651 HG21 VAL 651 0.741 -0.728 -5.257 318 HG22 VAL 651 HG22 VAL 651 1.589 -0.771 -6.803 319 HG23 VAL 651 HG23 VAL 651 -0.151 -1.050 -6.744 320 H ALA 652 HN ALA 652 -0.066 3.584 -4.233 321 HA ALA 652 HA ALA 652 -1.830 5.348 -5.715 322 HB1 ALA 652 HB1 ALA 652 -0.168 6.756 -3.860 323 HB2 ALA 652 HB2 ALA 652 -0.797 5.296 -3.095 324 HB3 ALA 652 HB3 ALA 652 -1.908 6.471 -3.802 325 HA PRO 653 HA PRO 653 1.364 6.738 -8.467 326 HB2 PRO 653 HB2 PRO 653 0.194 8.987 -9.395 327 HB3 PRO 653 HB1 PRO 653 -0.362 7.374 -9.855 328 HG2 PRO 653 HG2 PRO 653 -1.480 9.248 -7.807 329 HG3 PRO 653 HG1 PRO 653 -2.337 8.257 -9.001 330 HD2 PRO 653 HD2 PRO 653 -2.078 7.539 -6.390 331 HD3 PRO 653 HD1 PRO 653 -2.198 6.359 -7.710 332 H ARG 654 HN ARG 654 2.944 8.380 -8.699 333 HA ARG 654 HA ARG 654 3.180 10.128 -6.342 334 HB2 ARG 654 HB2 ARG 654 5.436 9.279 -8.154 335 HB3 ARG 654 HB1 ARG 654 5.547 9.992 -6.551 336 HG2 ARG 654 HG2 ARG 654 4.278 7.314 -7.016 337 HG3 ARG 654 HG1 ARG 654 6.013 7.505 -6.758 338 HD2 ARG 654 HD2 ARG 654 5.214 8.899 -4.675 339 HD3 ARG 654 HD1 ARG 654 3.748 7.939 -4.872 340 HE ARG 654 HE ARG 654 4.887 6.099 -4.116 341 HH11 ARG 654 HH11 ARG 654 7.178 8.612 -4.901 342 HH12 ARG 654 HH12 ARG 654 8.526 7.772 -4.212 343 HH21 ARG 654 HH21 ARG 654 6.658 4.992 -3.209 344 HH22 ARG 654 HH22 ARG 654 8.231 5.716 -3.252 345 H SER 655 HN SER 655 3.247 12.274 -6.599 346 HA SER 655 HA SER 655 2.954 13.352 -9.276 347 HB2 SER 655 HB2 SER 655 1.513 14.099 -7.359 348 HB3 SER 655 HB1 SER 655 2.943 14.843 -6.643 349 HG SER 655 HG SER 655 2.774 16.437 -8.002 350 H ASP 656 HN ASP 656 5.299 13.323 -6.677 351 HA ASP 656 HA ASP 656 6.992 15.302 -7.923 352 HB2 ASP 656 HB2 ASP 656 6.991 13.760 -5.402 353 HB3 ASP 656 HB1 ASP 656 8.581 14.162 -6.042 354 H SER 657 HN SER 657 8.776 14.965 -9.146 355 HA SER 657 HA SER 657 9.419 12.168 -9.816 356 HB2 SER 657 HB2 SER 657 10.179 14.304 -11.724 357 HB3 SER 657 HB1 SER 657 9.545 12.688 -12.032 358 HG SER 657 HG SER 657 7.755 13.719 -12.417 359 H GLU 658 HN GLU 658 10.844 15.434 -9.718 360 HA GLU 658 HA GLU 658 13.358 14.201 -8.808 361 HB2 GLU 658 HB2 GLU 658 12.879 15.830 -11.151 362 HB3 GLU 658 HB1 GLU 658 14.045 16.602 -10.086 363 HG2 GLU 658 HG2 GLU 658 14.602 13.786 -10.390 364 HG3 GLU 658 HG1 GLU 658 14.537 14.607 -11.949
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