NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27945 | 2vb5 | 15480 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 0 2H MET 0 0.699 -1.769 1.574 2 H2 MET 0 3H MET 0 1.631 -0.416 1.713 3 H3 MET 0 1H MET 0 0.043 -0.282 1.287 4 HA MET 0 HA MET 0 0.412 -1.422 -0.742 5 HB2 MET 0 1HB MET 0 0.544 1.008 -0.722 6 HB3 MET 0 2HB MET 0 2.262 0.954 -0.296 7 HG2 MET 0 1HG MET 0 2.785 -0.147 -2.426 8 HG3 MET 0 2HG MET 0 1.070 -0.228 -2.843 9 HE2 MET 0 1HE MET 0 3.093 2.321 -5.235 10 HE3 MET 0 2HE MET 0 3.953 1.146 -4.215 11 HE1 MET 0 3HE MET 0 2.487 0.654 -5.094 No H/Q in entry = 11 Start of MODEL 1 1 H ILE 1 H ILE 1 1.315 -3.435 -0.881 2 HA ILE 1 HA ILE 1 4.043 -3.558 -1.677 3 HB ILE 1 HB ILE 1 4.527 -3.669 0.699 4 HG13 ILE 1 HG12 ILE 1 4.746 -6.445 -0.546 5 HG22 ILE 1 HG21 ILE 1 2.582 -5.997 0.899 6 HG23 ILE 1 HG22 ILE 1 3.644 -5.399 2.181 7 HG21 ILE 1 HG23 ILE 1 2.340 -4.375 1.573 8 HD12 ILE 1 HD11 ILE 1 7.091 -5.719 -0.982 9 HD13 ILE 1 HD12 ILE 1 5.944 -4.740 -1.903 10 HD11 ILE 1 HD13 ILE 1 6.685 -4.084 -0.425 11 HG12 ILE 1 HG11 ILE 1 5.591 -5.882 0.898 No H/Q in entry = 11 Start of MODEL 1 1 H GLN 2 H GLN 2 4.189 -5.034 -3.224 2 HA GLN 2 HA GLN 2 1.895 -6.797 -3.753 3 HB2 GLN 2 1HB GLN 2 2.680 -6.853 -5.989 4 HB3 GLN 2 2HB GLN 2 2.607 -5.190 -5.403 5 HG2 GLN 2 1HG GLN 2 5.181 -5.499 -4.905 6 HG3 GLN 2 2HG GLN 2 5.058 -6.865 -6.019 7 HE21 GLN 2 HE21 GLN 2 3.230 -5.830 -7.945 8 HE22 GLN 2 HE22 GLN 2 4.000 -4.481 -8.747 No H/Q in entry = 8 Start of MODEL 1 1 H ARG 3 H ARG 3 1.991 -8.881 -3.094 2 HA ARG 3 HA ARG 3 4.537 -10.147 -2.386 3 HB2 ARG 3 1HB ARG 3 1.658 -11.116 -2.262 4 HB3 ARG 3 2HB ARG 3 3.069 -12.088 -1.838 5 HG2 ARG 3 1HG ARG 3 2.148 -11.254 0.164 6 HG3 ARG 3 2HG ARG 3 3.729 -10.511 -0.101 7 HD2 ARG 3 1HD ARG 3 2.675 -8.388 -0.717 8 HD3 ARG 3 2HD ARG 3 1.083 -9.163 -0.815 9 HE ARG 3 HE ARG 3 0.831 -8.912 1.427 10 HH12 ARG 3 HH11 ARG 3 4.730 -8.231 2.359 11 HH11 ARG 3 HH12 ARG 3 4.308 -8.630 0.712 12 HH21 ARG 3 HH21 ARG 3 1.417 -8.388 3.568 13 HH22 ARG 3 HH22 ARG 3 3.089 -8.087 3.978 No H/Q in entry = 13 Start of MODEL 1 1 H THR 4 H THR 4 5.676 -11.454 -3.650 2 HA THR 4 HA THR 4 4.818 -11.985 -6.380 3 HB THR 4 HB THR 4 7.164 -12.838 -6.603 4 HG1 THR 4 HG1 THR 4 7.400 -12.055 -3.892 5 HG21 THR 4 HG21 THR 4 6.657 -10.419 -6.929 6 HG23 THR 4 HG22 THR 4 8.292 -10.700 -6.300 7 HG22 THR 4 HG23 THR 4 7.013 -10.122 -5.214 No H/Q in entry = 7 Start of MODEL 1 1 HA PRO 5 HA PRO 5 3.653 -16.264 -5.620 2 HB2 PRO 5 1HB PRO 5 4.428 -17.438 -8.011 3 HB3 PRO 5 2HB PRO 5 2.971 -16.426 -7.823 4 HG2 PRO 5 1HG PRO 5 5.693 -15.643 -8.837 5 HG3 PRO 5 2HG PRO 5 4.100 -15.246 -9.550 6 HD2 PRO 5 1HD PRO 5 5.432 -13.465 -8.022 7 HD3 PRO 5 2HD PRO 5 3.662 -13.644 -7.850 No H/Q in entry = 7 Start of MODEL 1 1 H LYS 6 H LYS 6 4.838 -17.474 -4.189 2 HA LYS 6 HA LYS 6 7.729 -17.888 -4.542 3 HB2 LYS 6 1HB LYS 6 6.966 -17.564 -2.293 4 HB3 LYS 6 2HB LYS 6 5.778 -18.868 -2.446 5 HG2 LYS 6 1HG LYS 6 7.554 -20.531 -2.728 6 HG3 LYS 6 2HG LYS 6 8.791 -19.260 -2.734 7 HD2 LYS 6 1HD LYS 6 8.277 -18.728 -0.395 8 HD3 LYS 6 2HD LYS 6 6.921 -19.880 -0.407 9 HE2 LYS 6 1HE LYS 6 8.513 -21.738 -0.884 10 HE3 LYS 6 2HE LYS 6 9.864 -20.591 -0.821 11 HZ1 LYS 6 1HZ LYS 6 8.027 -21.191 1.386 12 HZ3 LYS 6 2HZ LYS 6 9.311 -20.157 1.449 13 HZ2 LYS 6 3HZ LYS 6 9.561 -21.771 1.225 No H/Q in entry = 13 Start of MODEL 1 1 H ILE 7 H ILE 7 8.451 -19.408 -5.833 2 HA ILE 7 HA ILE 7 6.774 -21.463 -6.983 3 HB ILE 7 HB ILE 7 8.795 -22.068 -8.222 4 HG13 ILE 7 HG12 ILE 7 10.546 -21.674 -6.560 5 HG21 ILE 7 HG21 ILE 7 7.264 -20.275 -8.961 6 HG22 ILE 7 HG22 ILE 7 8.276 -19.063 -8.149 7 HG23 ILE 7 HG23 ILE 7 8.910 -19.985 -9.516 8 HD13 ILE 7 HD11 ILE 7 12.224 -20.601 -7.860 9 HD11 ILE 7 HD12 ILE 7 11.186 -21.535 -8.950 10 HD12 ILE 7 HD13 ILE 7 11.029 -19.762 -8.856 11 HG12 ILE 7 HG11 ILE 7 10.223 -19.934 -6.555 No H/Q in entry = 11 Start of MODEL 1 1 H GLN 8 H GLN 8 6.584 -23.530 -6.431 2 HA GLN 8 HA GLN 8 8.580 -24.942 -4.797 3 HB2 GLN 8 1HB GLN 8 5.660 -24.667 -3.962 4 HB3 GLN 8 2HB GLN 8 6.790 -25.863 -3.315 5 HG2 GLN 8 1HG GLN 8 8.225 -24.011 -2.460 6 HG3 GLN 8 2HG GLN 8 7.048 -22.838 -3.089 7 HE21 GLN 8 HE21 GLN 8 6.999 -25.821 -1.030 8 HE22 GLN 8 HE22 GLN 8 5.902 -25.152 0.159 No H/Q in entry = 8 Start of MODEL 1 1 H VAL 9 H VAL 9 8.793 -25.611 -7.096 2 HA VAL 9 HA VAL 9 6.567 -27.170 -8.237 3 HB VAL 9 HB VAL 9 9.167 -26.343 -9.483 4 HG13 VAL 9 HG11 VAL 9 7.974 -26.695 -11.599 5 HG11 VAL 9 HG12 VAL 9 7.901 -28.180 -10.643 6 HG12 VAL 9 HG13 VAL 9 6.486 -27.117 -10.727 7 HG22 VAL 9 HG21 VAL 9 8.043 -24.297 -8.822 8 HG23 VAL 9 HG22 VAL 9 7.730 -24.531 -10.551 9 HG21 VAL 9 HG23 VAL 9 6.476 -24.923 -9.361 No H/Q in entry = 9 Start of MODEL 1 1 H TYR 10 H TYR 10 6.784 -28.927 -6.835 2 HA TYR 10 HA TYR 10 9.219 -30.618 -7.025 3 HB2 TYR 10 1HB TYR 10 8.546 -31.563 -4.968 4 HB3 TYR 10 2HB TYR 10 8.652 -29.814 -4.888 5 HD1 TYR 10 HD1 TYR 10 6.725 -28.448 -4.353 6 HD2 TYR 10 HD2 TYR 10 6.372 -32.720 -4.765 7 HE1 TYR 10 HE1 TYR 10 4.491 -28.364 -3.286 8 HE2 TYR 10 HE2 TYR 10 4.171 -32.647 -3.631 9 HH TYR 10 HH TYR 10 2.681 -29.577 -2.545 No H/Q in entry = 9 Start of MODEL 1 1 H SER 11 H SER 11 8.847 -32.995 -6.771 2 HA SER 11 HA SER 11 6.957 -34.023 -8.776 3 HB2 SER 11 1HB SER 11 8.981 -35.660 -7.210 4 HB3 SER 11 2HB SER 11 8.324 -35.928 -8.834 5 HG SER 11 HG SER 11 10.467 -35.107 -8.794 No H/Q in entry = 5 Start of MODEL 1 1 H ARG 12 H ARG 12 4.972 -34.782 -8.096 2 HA ARG 12 HA ARG 12 4.351 -35.258 -5.318 3 HB2 ARG 12 1HB ARG 12 2.651 -34.513 -6.880 4 HB3 ARG 12 2HB ARG 12 2.905 -35.927 -7.899 5 HG2 ARG 12 1HG ARG 12 0.869 -36.153 -6.607 6 HG3 ARG 12 2HG ARG 12 2.020 -37.414 -6.156 7 HD2 ARG 12 1HD ARG 12 2.612 -36.212 -4.115 8 HD3 ARG 12 2HD ARG 12 1.590 -34.835 -4.594 9 HE ARG 12 HE ARG 12 -0.030 -37.139 -4.602 10 HH12 ARG 12 HH11 ARG 12 0.710 -35.589 -0.917 11 HH11 ARG 12 HH12 ARG 12 1.768 -35.178 -2.246 12 HH21 ARG 12 HH21 ARG 12 -1.397 -37.665 -2.857 13 HH22 ARG 12 HH22 ARG 12 -1.097 -37.008 -1.265 No H/Q in entry = 13 Start of MODEL 1 1 H HIS 13 H HIS 13 4.508 -37.436 -8.162 2 HA HIS 13 HA HIS 13 4.975 -39.843 -6.544 3 HB2 HIS 13 1HB HIS 13 4.724 -39.206 -9.506 4 HB3 HIS 13 2HB HIS 13 5.135 -40.818 -8.950 5 HD1 HIS 13 HD1 HIS 13 3.215 -42.345 -8.403 6 HD2 HIS 13 HD2 HIS 13 2.074 -38.315 -8.458 7 HE1 HIS 13 HE1 HIS 13 0.693 -42.266 -8.101 No H/Q in entry = 7 Start of MODEL 1 1 HA PRO 14 HA PRO 14 9.471 -39.695 -7.143 2 HB2 PRO 14 1HB PRO 14 10.150 -42.298 -7.670 3 HB3 PRO 14 2HB PRO 14 9.642 -41.731 -6.052 4 HG2 PRO 14 1HG PRO 14 7.914 -43.056 -8.163 5 HG3 PRO 14 2HG PRO 14 8.063 -43.496 -6.435 6 HD2 PRO 14 1HD PRO 14 6.034 -41.937 -7.295 7 HD3 PRO 14 2HD PRO 14 6.847 -41.563 -5.755 No H/Q in entry = 7 Start of MODEL 1 1 H ALA 15 H ALA 15 10.818 -39.345 -8.903 2 HA ALA 15 HA ALA 15 9.585 -39.162 -11.516 3 HB2 ALA 15 1HB ALA 15 12.393 -38.524 -10.540 4 HB3 ALA 15 2HB ALA 15 11.708 -38.077 -12.120 5 HB1 ALA 15 3HB ALA 15 11.019 -37.403 -10.629 No H/Q in entry = 5 Start of MODEL 1 1 H GLU 16 H GLU 16 9.226 -41.615 -11.530 2 HA GLU 16 HA GLU 16 11.544 -43.269 -12.147 3 HB2 GLU 16 1HB GLU 16 9.666 -44.089 -10.800 4 HB3 GLU 16 2HB GLU 16 8.566 -43.891 -12.177 5 HG2 GLU 16 1HG GLU 16 9.957 -45.509 -13.489 6 HG3 GLU 16 2HG GLU 16 11.033 -45.700 -12.096 No H/Q in entry = 6 Start of MODEL 1 1 H ASN 17 H ASN 17 12.305 -43.688 -14.109 2 HA ASN 17 HA ASN 17 11.574 -42.305 -16.435 3 HB2 ASN 17 1HB ASN 17 13.151 -44.889 -16.070 4 HB3 ASN 17 2HB ASN 17 13.147 -43.908 -17.539 5 HD21 ASN 17 HD21 ASN 17 14.285 -41.940 -17.581 6 HD22 ASN 17 HD22 ASN 17 15.379 -41.442 -16.306 No H/Q in entry = 6 Start of MODEL 1 1 H GLY 18 H GLY 18 10.094 -42.668 -17.995 2 HA3 GLY 18 1HA GLY 18 8.455 -43.609 -19.247 3 HA2 GLY 18 2HA GLY 18 9.268 -45.164 -19.006 No H/Q in entry = 3 Start of MODEL 1 1 H LYS 19 H LYS 19 7.654 -42.930 -16.684 2 HA LYS 19 HA LYS 19 5.296 -44.578 -16.427 3 HB2 LYS 19 1HB LYS 19 6.886 -45.899 -15.037 4 HB3 LYS 19 2HB LYS 19 7.237 -44.443 -14.089 5 HG2 LYS 19 1HG LYS 19 4.893 -44.327 -13.346 6 HG3 LYS 19 2HG LYS 19 4.485 -45.733 -14.354 7 HD2 LYS 19 1HD LYS 19 6.032 -47.138 -13.050 8 HD3 LYS 19 2HD LYS 19 6.503 -45.736 -12.066 9 HE2 LYS 19 1HE LYS 19 3.675 -46.866 -12.229 10 HE3 LYS 19 2HE LYS 19 4.848 -47.223 -10.946 11 HZ2 LYS 19 1HZ LYS 19 3.769 -44.575 -11.587 12 HZ1 LYS 19 2HZ LYS 19 4.915 -44.887 -10.444 13 HZ3 LYS 19 3HZ LYS 19 3.393 -45.499 -10.275 No H/Q in entry = 13 Start of MODEL 1 1 H SER 20 H SER 20 3.681 -43.265 -15.903 2 HA SER 20 HA SER 20 3.920 -40.530 -15.991 3 HB2 SER 20 1HB SER 20 1.633 -42.185 -14.871 4 HB3 SER 20 2HB SER 20 1.530 -40.478 -15.349 5 HG SER 20 HG SER 20 2.133 -41.077 -17.440 No H/Q in entry = 5 Start of MODEL 1 1 H ASN 21 H ASN 21 3.618 -38.815 -14.612 2 HA ASN 21 HA ASN 21 3.873 -39.167 -11.696 3 HB2 ASN 21 1HB ASN 21 6.157 -39.329 -12.717 4 HB3 ASN 21 2HB ASN 21 5.924 -37.750 -13.462 5 HD21 ASN 21 HD21 ASN 21 7.470 -39.223 -10.960 6 HD22 ASN 21 HD22 ASN 21 7.504 -37.913 -9.806 No H/Q in entry = 6 Start of MODEL 1 1 H PHE 22 H PHE 22 2.835 -37.513 -10.653 2 HA PHE 22 HA PHE 22 1.617 -35.371 -12.261 3 HB2 PHE 22 1HB PHE 22 1.262 -36.274 -9.397 4 HB3 PHE 22 2HB PHE 22 0.565 -34.795 -10.036 5 HD1 PHE 22 HD1 PHE 22 -1.558 -34.830 -11.023 6 HD2 PHE 22 HD2 PHE 22 0.661 -38.513 -10.681 7 HE1 PHE 22 HE1 PHE 22 -3.561 -36.105 -11.720 8 HE2 PHE 22 HE2 PHE 22 -1.361 -39.784 -11.322 9 HZ PHE 22 HZ PHE 22 -3.472 -38.587 -11.857 No H/Q in entry = 9 Start of MODEL 1 1 H LEU 23 H LEU 23 2.262 -33.302 -12.291 2 HA LEU 23 HA LEU 23 4.633 -32.463 -10.771 3 HB2 LEU 23 1HB LEU 23 4.059 -31.789 -13.229 4 HB3 LEU 23 2HB LEU 23 2.800 -30.782 -12.517 5 HG LEU 23 HG LEU 23 4.665 -29.652 -11.145 6 HD13 LEU 23 HD11 LEU 23 6.436 -31.359 -11.405 7 HD12 LEU 23 HD12 LEU 23 6.945 -29.828 -12.123 8 HD11 LEU 23 HD13 LEU 23 6.398 -31.150 -13.169 9 HD23 LEU 23 HD21 LEU 23 5.362 -28.233 -13.037 10 HD22 LEU 23 HD22 LEU 23 3.626 -28.578 -13.077 11 HD21 LEU 23 HD23 LEU 23 4.726 -29.437 -14.180 No H/Q in entry = 11 Start of MODEL 1 1 H ASN 24 H ASN 24 4.559 -30.999 -9.004 2 HA ASN 24 HA ASN 24 1.880 -29.871 -8.303 3 HB2 ASN 24 1HB ASN 24 4.007 -31.087 -6.499 4 HB3 ASN 24 2HB ASN 24 2.869 -29.864 -5.915 5 HD21 ASN 24 HD21 ASN 24 2.125 -31.483 -4.373 6 HD22 ASN 24 HD22 ASN 24 0.944 -32.665 -4.893 No H/Q in entry = 6 Start of MODEL 1 1 H CYS 25 H CYS 25 2.454 -28.161 -9.701 2 HA CYS 25 HA CYS 25 4.563 -26.307 -8.804 3 HB2 CYS 25 1HB CYS 25 4.030 -26.499 -11.185 4 HB3 CYS 25 2HB CYS 25 2.389 -25.923 -10.885 No H/Q in entry = 4 Start of MODEL 1 1 H TYR 26 H TYR 26 3.985 -26.080 -6.651 2 HA TYR 26 HA TYR 26 1.292 -25.184 -5.870 3 HB2 TYR 26 1HB TYR 26 2.440 -26.976 -4.677 4 HB3 TYR 26 2HB TYR 26 3.794 -25.925 -4.323 5 HD1 TYR 26 HD1 TYR 26 0.191 -26.564 -3.598 6 HD2 TYR 26 HD2 TYR 26 3.744 -24.411 -2.451 7 HE1 TYR 26 HE1 TYR 26 -0.772 -26.160 -1.360 8 HE2 TYR 26 HE2 TYR 26 2.745 -23.940 -0.237 9 HH TYR 26 HH TYR 26 -0.534 -25.076 0.658 No H/Q in entry = 9 Start of MODEL 1 1 H VAL 27 H VAL 27 1.077 -23.052 -6.590 2 HA VAL 27 HA VAL 27 3.339 -21.193 -6.181 3 HB VAL 27 HB VAL 27 0.785 -20.810 -7.773 4 HG13 VAL 27 HG11 VAL 27 2.121 -19.006 -8.806 5 HG11 VAL 27 HG12 VAL 27 2.011 -18.729 -7.059 6 HG12 VAL 27 HG13 VAL 27 3.493 -19.417 -7.758 7 HG23 VAL 27 HG21 VAL 27 2.362 -21.224 -9.724 8 HG21 VAL 27 HG22 VAL 27 3.556 -21.826 -8.558 9 HG22 VAL 27 HG23 VAL 27 2.004 -22.663 -8.767 No H/Q in entry = 9 Start of MODEL 1 1 H SER 28 H SER 28 3.263 -20.456 -4.071 2 HA SER 28 HA SER 28 0.671 -19.642 -2.923 3 HB2 SER 28 1HB SER 28 1.877 -19.713 -0.798 4 HB3 SER 28 2HB SER 28 1.919 -21.247 -1.688 5 HG SER 28 HG SER 28 3.967 -19.304 -1.809 No H/Q in entry = 5 Start of MODEL 1 1 H GLY 29 H GLY 29 0.100 -17.598 -2.535 2 HA3 GLY 29 1HA GLY 29 0.314 -15.540 -1.584 3 HA2 GLY 29 2HA GLY 29 2.068 -15.699 -1.585 No H/Q in entry = 3 Start of MODEL 1 1 H PHE 30 H PHE 30 -0.221 -15.793 -4.376 2 HA PHE 30 HA PHE 30 1.368 -13.678 -5.680 3 HB2 PHE 30 1HB PHE 30 0.118 -14.309 -7.689 4 HB3 PHE 30 2HB PHE 30 1.154 -15.512 -6.949 5 HD1 PHE 30 HD1 PHE 30 -2.296 -14.690 -7.896 6 HD2 PHE 30 HD2 PHE 30 0.231 -17.552 -5.893 7 HE1 PHE 30 HE1 PHE 30 -4.145 -16.351 -7.914 8 HE2 PHE 30 HE2 PHE 30 -1.613 -19.227 -6.008 9 HZ PHE 30 HZ PHE 30 -3.763 -18.632 -7.009 No H/Q in entry = 9 Start of MODEL 1 1 H HIS 31 H HIS 31 0.738 -11.789 -4.749 2 HA HIS 31 HA HIS 31 -2.103 -10.937 -4.930 3 HB2 HIS 31 1HB HIS 31 0.271 -9.794 -3.502 4 HB3 HIS 31 2HB HIS 31 -1.226 -8.903 -3.756 5 HD1 HIS 31 HD1 HIS 31 -3.147 -9.291 -2.263 6 HD2 HIS 31 HD2 HIS 31 -0.358 -12.414 -2.087 7 HE1 HIS 31 HE1 HIS 31 -3.953 -10.914 -0.500 No H/Q in entry = 7 Start of MODEL 1 1 HA PRO 32 HA PRO 32 -3.545 -9.682 -5.953 2 HB2 PRO 32 1HB PRO 32 -4.820 -9.157 -8.256 3 HB3 PRO 32 2HB PRO 32 -4.028 -7.863 -7.312 4 HG2 PRO 32 1HG PRO 32 -2.860 -9.377 -9.677 5 HG3 PRO 32 2HG PRO 32 -3.004 -7.602 -9.491 6 HD2 PRO 32 1HD PRO 32 -0.713 -8.950 -8.815 7 HD3 PRO 32 2HD PRO 32 -1.281 -7.554 -7.854 No H/Q in entry = 7 Start of MODEL 1 1 H SER 33 H SER 33 -5.319 -11.143 -6.886 2 HA SER 33 HA SER 33 -4.346 -13.773 -7.221 3 HB2 SER 33 1HB SER 33 -6.718 -14.370 -7.502 4 HB3 SER 33 2HB SER 33 -6.458 -13.283 -6.129 5 HG SER 33 HG SER 33 -8.229 -12.673 -7.446 No H/Q in entry = 5 Start of MODEL 1 1 H ASP 34 H ASP 34 -4.651 -11.348 -9.654 2 HA ASP 34 HA ASP 34 -5.475 -13.039 -11.836 3 HB2 ASP 34 1HB ASP 34 -5.933 -10.605 -11.654 4 HB3 ASP 34 2HB ASP 34 -4.207 -10.270 -11.820 No H/Q in entry = 4 Start of MODEL 1 1 H ILE 35 H ILE 35 -3.792 -14.716 -11.259 2 HA ILE 35 HA ILE 35 -1.114 -14.169 -12.361 3 HB ILE 35 HB ILE 35 -1.378 -15.188 -10.141 4 HG13 ILE 35 HG12 ILE 35 0.636 -15.343 -11.569 5 HG22 ILE 35 HG21 ILE 35 -2.302 -17.658 -11.688 6 HG23 ILE 35 HG22 ILE 35 -1.996 -17.560 -9.947 7 HG21 ILE 35 HG23 ILE 35 -3.342 -16.665 -10.651 8 HD13 ILE 35 HD11 ILE 35 1.774 -17.087 -10.347 9 HD11 ILE 35 HD12 ILE 35 0.737 -16.143 -9.266 10 HD12 ILE 35 HD13 ILE 35 0.237 -17.769 -9.786 11 HG12 ILE 35 HG11 ILE 35 0.106 -16.936 -12.128 No H/Q in entry = 11 Start of MODEL 1 1 H GLU 36 H GLU 36 -0.117 -15.647 -13.886 2 HA GLU 36 HA GLU 36 -1.971 -17.184 -15.672 3 HB2 GLU 36 1HB GLU 36 0.365 -15.416 -16.365 4 HB3 GLU 36 2HB GLU 36 -0.515 -16.428 -17.529 5 HG2 GLU 36 1HG GLU 36 -2.560 -15.109 -17.139 6 HG3 GLU 36 2HG GLU 36 -1.717 -14.105 -15.947 No H/Q in entry = 6 Start of MODEL 1 1 H VAL 37 H VAL 37 -1.334 -18.944 -14.238 2 HA VAL 37 HA VAL 37 1.429 -19.909 -14.487 3 HB VAL 37 HB VAL 37 -0.852 -21.224 -13.057 4 HG13 VAL 37 HG11 VAL 37 0.998 -22.776 -13.653 5 HG11 VAL 37 HG12 VAL 37 2.176 -21.625 -12.983 6 HG12 VAL 37 HG13 VAL 37 1.022 -22.441 -11.918 7 HG21 VAL 37 HG21 VAL 37 1.301 -19.259 -12.161 8 HG22 VAL 37 HG22 VAL 37 -0.464 -19.131 -11.961 9 HG23 VAL 37 HG23 VAL 37 0.449 -20.313 -11.022 No H/Q in entry = 9 Start of MODEL 1 1 H ASP 38 H ASP 38 1.524 -20.230 -16.678 2 HA ASP 38 HA ASP 38 -0.435 -21.939 -18.090 3 HB2 ASP 38 1HB ASP 38 0.019 -19.644 -18.803 4 HB3 ASP 38 2HB ASP 38 1.725 -20.023 -19.029 No H/Q in entry = 4 Start of MODEL 1 1 H LEU 39 H LEU 39 0.910 -23.649 -16.599 2 HA LEU 39 HA LEU 39 3.550 -24.192 -17.122 3 HB2 LEU 39 1HB LEU 39 3.332 -26.209 -15.916 4 HB3 LEU 39 2HB LEU 39 2.343 -24.981 -15.137 5 HG LEU 39 HG LEU 39 1.247 -27.056 -17.093 6 HD12 LEU 39 HD11 LEU 39 1.391 -27.203 -14.046 7 HD11 LEU 39 HD12 LEU 39 2.310 -28.216 -15.182 8 HD13 LEU 39 HD13 LEU 39 0.546 -28.358 -15.093 9 HD23 LEU 39 HD21 LEU 39 -0.885 -26.685 -15.874 10 HD22 LEU 39 HD22 LEU 39 -0.358 -25.251 -16.753 11 HD21 LEU 39 HD23 LEU 39 -0.137 -25.337 -14.988 No H/Q in entry = 11 Start of MODEL 1 1 H LEU 40 H LEU 40 4.673 -25.946 -17.938 2 HA LEU 40 HA LEU 40 3.724 -26.744 -20.650 3 HB2 LEU 40 1HB LEU 40 6.450 -25.680 -19.822 4 HB3 LEU 40 2HB LEU 40 5.918 -26.013 -21.472 5 HG LEU 40 HG LEU 40 4.798 -23.848 -19.627 6 HD13 LEU 40 HD11 LEU 40 5.872 -22.286 -21.122 7 HD12 LEU 40 HD12 LEU 40 6.527 -23.608 -22.112 8 HD11 LEU 40 HD13 LEU 40 7.078 -23.387 -20.434 9 HD23 LEU 40 HD21 LEU 40 3.608 -23.052 -21.660 10 HD22 LEU 40 HD22 LEU 40 3.040 -24.637 -21.161 11 HD21 LEU 40 HD23 LEU 40 4.151 -24.506 -22.533 No H/Q in entry = 11 Start of MODEL 1 1 H LYS 41 H LYS 41 5.259 -28.282 -21.728 2 HA LYS 41 HA LYS 41 6.650 -30.178 -19.985 3 HB2 LYS 41 1HB LYS 41 5.432 -32.089 -21.024 4 HB3 LYS 41 2HB LYS 41 4.489 -31.161 -19.853 5 HG2 LYS 41 1HG LYS 41 3.334 -30.005 -21.729 6 HG3 LYS 41 2HG LYS 41 4.216 -30.971 -22.890 7 HD2 LYS 41 1HD LYS 41 2.392 -32.147 -20.768 8 HD3 LYS 41 2HD LYS 41 1.930 -31.817 -22.441 9 HE2 LYS 41 1HE LYS 41 4.031 -33.817 -21.501 10 HE3 LYS 41 2HE LYS 41 2.440 -34.163 -22.187 11 HZ1 LYS 41 1HZ LYS 41 3.161 -33.133 -24.227 12 HZ3 LYS 41 2HZ LYS 41 4.123 -34.408 -23.821 13 HZ2 LYS 41 3HZ LYS 41 4.663 -32.870 -23.604 No H/Q in entry = 13 Start of MODEL 1 1 H ASN 42 H ASN 42 8.592 -30.171 -20.932 2 HA ASN 42 HA ASN 42 10.211 -30.322 -22.490 3 HB2 ASN 42 1HB ASN 42 8.243 -31.844 -24.228 4 HB3 ASN 42 2HB ASN 42 9.992 -32.048 -24.120 5 HD21 ASN 42 HD21 ASN 42 10.860 -32.926 -22.008 6 HD22 ASN 42 HD22 ASN 42 9.849 -34.036 -21.104 No H/Q in entry = 6 Start of MODEL 1 1 H GLY 43 H GLY 43 8.444 -27.965 -22.652 2 HA3 GLY 43 1HA GLY 43 8.771 -26.073 -24.009 3 HA2 GLY 43 2HA GLY 43 9.009 -27.070 -25.438 No H/Q in entry = 3 Start of MODEL 1 1 H GLU 44 H GLU 44 6.520 -28.762 -24.596 2 HA GLU 44 HA GLU 44 4.662 -27.210 -26.212 3 HB2 GLU 44 1HB GLU 44 4.321 -29.895 -24.837 4 HB3 GLU 44 2HB GLU 44 3.293 -29.228 -26.109 5 HG2 GLU 44 1HG GLU 44 5.162 -29.304 -27.702 6 HG3 GLU 44 2HG GLU 44 6.252 -29.931 -26.452 No H/Q in entry = 6 Start of MODEL 1 1 H ARG 45 H ARG 45 2.359 -26.903 -25.524 2 HA ARG 45 HA ARG 45 2.196 -26.091 -22.675 3 HB2 ARG 45 1HB ARG 45 1.719 -24.338 -24.207 4 HB3 ARG 45 2HB ARG 45 0.512 -25.314 -25.072 5 HG2 ARG 45 1HG ARG 45 -1.010 -25.275 -23.243 6 HG3 ARG 45 2HG ARG 45 0.254 -24.804 -22.090 7 HD2 ARG 45 1HD ARG 45 -1.269 -22.988 -22.523 8 HD3 ARG 45 2HD ARG 45 0.399 -22.589 -22.999 9 HE ARG 45 HE ARG 45 -0.878 -23.533 -25.306 10 HH12 ARG 45 HH11 ARG 45 -1.925 -19.762 -24.168 11 HH11 ARG 45 HH12 ARG 45 -1.216 -20.849 -23.000 12 HH21 ARG 45 HH21 ARG 45 -1.797 -22.074 -26.843 13 HH22 ARG 45 HH22 ARG 45 -2.249 -20.457 -26.355 No H/Q in entry = 13 Start of MODEL 1 1 H ILE 46 H ILE 46 0.765 -26.869 -21.273 2 HA ILE 46 HA ILE 46 -0.527 -29.437 -21.872 3 HB ILE 46 HB ILE 46 -0.203 -27.890 -19.261 4 HG13 ILE 46 HG12 ILE 46 1.977 -28.430 -20.138 5 HG23 ILE 46 HG21 ILE 46 -0.810 -29.975 -18.183 6 HG21 ILE 46 HG22 ILE 46 -2.093 -29.572 -19.305 7 HG22 ILE 46 HG23 ILE 46 -0.912 -30.820 -19.747 8 HD12 ILE 46 HD11 ILE 46 1.425 -30.841 -18.431 9 HD13 ILE 46 HD12 ILE 46 2.911 -29.892 -18.562 10 HD11 ILE 46 HD13 ILE 46 1.509 -29.209 -17.719 11 HG12 ILE 46 HG11 ILE 46 1.421 -30.041 -20.630 No H/Q in entry = 11 Start of MODEL 1 1 H GLU 47 H GLU 47 -2.429 -29.139 -22.946 2 HA GLU 47 HA GLU 47 -4.285 -27.000 -22.166 3 HB2 GLU 47 1HB GLU 47 -3.732 -27.717 -24.557 4 HB3 GLU 47 2HB GLU 47 -4.662 -29.183 -24.251 5 HG2 GLU 47 1HG GLU 47 -6.049 -27.547 -25.387 6 HG3 GLU 47 2HG GLU 47 -6.668 -27.719 -23.743 No H/Q in entry = 6 Start of MODEL 1 1 H LYS 48 H LYS 48 -3.862 -28.488 -20.016 2 HA LYS 48 HA LYS 48 -6.458 -29.293 -19.226 3 HB2 LYS 48 1HB LYS 48 -5.766 -31.432 -20.393 4 HB3 LYS 48 2HB LYS 48 -4.420 -31.565 -19.257 5 HG2 LYS 48 1HG LYS 48 -6.214 -31.462 -17.386 6 HG3 LYS 48 2HG LYS 48 -7.419 -31.623 -18.663 7 HD2 LYS 48 1HD LYS 48 -5.148 -33.597 -18.121 8 HD3 LYS 48 2HD LYS 48 -6.790 -33.747 -17.479 9 HE2 LYS 48 1HE LYS 48 -7.704 -33.861 -19.780 10 HE3 LYS 48 2HE LYS 48 -6.058 -33.751 -20.440 11 HZ2 LYS 48 1HZ LYS 48 -7.083 -35.881 -18.708 12 HZ1 LYS 48 2HZ LYS 48 -5.534 -35.768 -19.260 13 HZ3 LYS 48 3HZ LYS 48 -6.774 -35.995 -20.324 No H/Q in entry = 13 Start of MODEL 1 1 H VAL 49 H VAL 49 -5.441 -27.318 -18.182 2 HA VAL 49 HA VAL 49 -3.476 -27.821 -16.055 3 HB VAL 49 HB VAL 49 -5.174 -25.375 -16.647 4 HG11 VAL 49 HG11 VAL 49 -2.706 -25.757 -14.919 5 HG12 VAL 49 HG12 VAL 49 -3.403 -24.183 -15.351 6 HG13 VAL 49 HG13 VAL 49 -4.335 -25.330 -14.382 7 HG23 VAL 49 HG21 VAL 49 -3.012 -24.488 -17.678 8 HG21 VAL 49 HG22 VAL 49 -2.423 -26.167 -17.669 9 HG22 VAL 49 HG23 VAL 49 -3.857 -25.725 -18.613 No H/Q in entry = 9 Start of MODEL 1 1 H GLU 50 H GLU 50 -4.211 -28.876 -14.289 2 HA GLU 50 HA GLU 50 -7.066 -28.634 -13.453 3 HB2 GLU 50 1HB GLU 50 -4.973 -30.501 -12.338 4 HB3 GLU 50 2HB GLU 50 -6.714 -30.491 -12.049 5 HG2 GLU 50 1HG GLU 50 -7.090 -31.057 -14.456 6 HG3 GLU 50 2HG GLU 50 -5.333 -31.115 -14.700 No H/Q in entry = 6 Start of MODEL 1 1 H HIS 51 H HIS 51 -7.560 -27.396 -11.777 2 HA HIS 51 HA HIS 51 -5.368 -26.059 -10.250 3 HB2 HIS 51 1HB HIS 51 -6.701 -23.998 -10.489 4 HB3 HIS 51 2HB HIS 51 -6.108 -24.636 -12.021 5 HD1 HIS 51 HD1 HIS 51 -7.838 -25.318 -13.800 6 HD2 HIS 51 HD2 HIS 51 -9.544 -24.224 -10.132 7 HE1 HIS 51 HE1 HIS 51 -10.340 -25.057 -14.174 No H/Q in entry = 7 Start of MODEL 1 1 H SER 52 H SER 52 -5.667 -25.871 -8.076 2 HA SER 52 HA SER 52 -7.814 -27.430 -6.889 3 HB2 SER 52 1HB SER 52 -6.640 -26.957 -4.771 4 HB3 SER 52 2HB SER 52 -5.603 -27.666 -6.019 5 HG SER 52 HG SER 52 -4.597 -25.935 -4.953 No H/Q in entry = 5 Start of MODEL 1 1 H ASP 53 H ASP 53 -6.940 -24.604 -5.077 2 HA ASP 53 HA ASP 53 -9.375 -23.102 -5.791 3 HB2 ASP 53 1HB ASP 53 -8.883 -24.362 -3.056 4 HB3 ASP 53 2HB ASP 53 -10.046 -23.059 -3.354 No H/Q in entry = 4 Start of MODEL 1 1 H LEU 54 H LEU 54 -9.219 -20.963 -5.283 2 HA LEU 54 HA LEU 54 -6.616 -19.853 -4.586 3 HB2 LEU 54 1HB LEU 54 -8.208 -18.863 -6.280 4 HB3 LEU 54 2HB LEU 54 -9.313 -18.493 -4.960 5 HG LEU 54 HG LEU 54 -7.062 -17.342 -3.950 6 HD11 LEU 54 HD11 LEU 54 -6.746 -17.133 -6.985 7 HD13 LEU 54 HD12 LEU 54 -5.662 -17.990 -5.870 8 HD12 LEU 54 HD13 LEU 54 -5.816 -16.228 -5.780 9 HD22 LEU 54 HD21 LEU 54 -9.204 -16.179 -4.301 10 HD21 LEU 54 HD22 LEU 54 -8.865 -16.049 -6.042 11 HD23 LEU 54 HD23 LEU 54 -7.846 -15.192 -4.864 No H/Q in entry = 11 Start of MODEL 1 1 H SER 55 H SER 55 -6.502 -20.984 -2.539 2 HA SER 55 HA SER 55 -8.478 -20.337 -0.450 3 HB2 SER 55 1HB SER 55 -6.241 -22.387 -0.596 4 HB3 SER 55 2HB SER 55 -7.419 -22.223 0.733 5 HG SER 55 HG SER 55 -9.062 -22.558 -0.852 No H/Q in entry = 5 Start of MODEL 1 1 H PHE 56 H PHE 56 -8.018 -19.334 1.431 2 HA PHE 56 HA PHE 56 -5.719 -17.531 1.427 3 HB2 PHE 56 1HB PHE 56 -8.158 -17.774 3.223 4 HB3 PHE 56 2HB PHE 56 -6.969 -16.476 3.272 5 HD1 PHE 56 HD1 PHE 56 -6.962 -14.710 1.565 6 HD2 PHE 56 HD2 PHE 56 -9.747 -17.994 1.317 7 HE1 PHE 56 HE1 PHE 56 -8.259 -13.490 -0.158 8 HE2 PHE 56 HE2 PHE 56 -10.932 -16.839 -0.526 9 HZ PHE 56 HZ PHE 56 -10.186 -14.588 -1.271 No H/Q in entry = 9 Start of MODEL 1 1 H SER 57 H SER 57 -3.837 -18.415 2.220 2 HA SER 57 HA SER 57 -3.660 -20.462 4.191 3 HB2 SER 57 1HB SER 57 -1.810 -20.052 2.692 4 HB3 SER 57 2HB SER 57 -1.644 -18.387 3.261 5 HG SER 57 HG SER 57 -0.151 -19.816 4.225 No H/Q in entry = 5 Start of MODEL 1 1 H LYS 58 H LYS 58 -3.397 -16.879 4.454 2 HA LYS 58 HA LYS 58 -4.347 -16.976 7.223 3 HB2 LYS 58 1HB LYS 58 -2.383 -15.709 8.089 4 HB3 LYS 58 2HB LYS 58 -2.045 -17.386 7.670 5 HG2 LYS 58 1HG LYS 58 -0.941 -16.758 5.614 6 HG3 LYS 58 2HG LYS 58 -1.370 -15.049 5.826 7 HD2 LYS 58 1HD LYS 58 -0.016 -14.906 7.851 8 HD3 LYS 58 2HD LYS 58 0.312 -16.652 7.797 9 HE2 LYS 58 1HE LYS 58 1.484 -16.372 5.631 10 HE3 LYS 58 2HE LYS 58 1.185 -14.622 5.694 11 HZ3 LYS 58 1HZ LYS 58 2.486 -14.528 7.679 12 HZ2 LYS 58 2HZ LYS 58 3.366 -15.230 6.475 13 HZ1 LYS 58 3HZ LYS 58 2.719 -16.159 7.671 No H/Q in entry = 13 Start of MODEL 1 1 H ASP 59 H ASP 59 -5.804 -16.061 5.264 2 HA ASP 59 HA ASP 59 -6.876 -14.347 4.309 3 HB2 ASP 59 1HB ASP 59 -7.523 -13.995 6.621 4 HB3 ASP 59 2HB ASP 59 -6.136 -12.929 6.892 No H/Q in entry = 4 Start of MODEL 1 1 H GLY 60 H GLY 60 -5.355 -14.261 2.602 2 HA3 GLY 60 1HA GLY 60 -4.723 -12.531 1.079 3 HA2 GLY 60 2HA GLY 60 -3.959 -11.621 2.384 No H/Q in entry = 3 Start of MODEL 1 1 H SER 61 H SER 61 -3.865 -14.807 0.789 2 HA SER 61 HA SER 61 -1.309 -14.745 -0.205 3 HB2 SER 61 1HB SER 61 -0.186 -16.450 1.382 4 HB3 SER 61 2HB SER 61 -0.179 -14.755 1.864 5 HG SER 61 HG SER 61 -0.802 -16.121 3.564 No H/Q in entry = 5 Start of MODEL 1 1 H PHE 62 H PHE 62 -2.019 -15.907 -1.906 2 HA PHE 62 HA PHE 62 -4.104 -17.915 -1.495 3 HB2 PHE 62 1HB PHE 62 -3.067 -16.836 -4.105 4 HB3 PHE 62 2HB PHE 62 -4.615 -17.608 -3.771 5 HD1 PHE 62 HD1 PHE 62 -5.372 -15.982 -1.231 6 HD2 PHE 62 HD2 PHE 62 -3.781 -14.840 -5.074 7 HE1 PHE 62 HE1 PHE 62 -5.983 -13.626 -0.796 8 HE2 PHE 62 HE2 PHE 62 -4.488 -12.498 -4.665 9 HZ PHE 62 HZ PHE 62 -5.612 -11.894 -2.536 No H/Q in entry = 9 Start of MODEL 1 1 H TYR 63 H TYR 63 -3.318 -19.954 -1.063 2 HA TYR 63 HA TYR 63 -0.964 -20.946 -2.539 3 HB2 TYR 63 1HB TYR 63 -0.929 -22.758 -1.110 4 HB3 TYR 63 2HB TYR 63 -0.976 -21.263 -0.192 5 HD1 TYR 63 HD1 TYR 63 -3.187 -20.598 0.956 6 HD2 TYR 63 HD2 TYR 63 -2.462 -24.524 -0.662 7 HE1 TYR 63 HE1 TYR 63 -5.036 -21.520 2.338 8 HE2 TYR 63 HE2 TYR 63 -4.320 -25.429 0.694 9 HH TYR 63 HH TYR 63 -6.295 -23.363 2.854 No H/Q in entry = 9 Start of MODEL 1 1 H LEU 64 H LEU 64 -1.712 -21.126 -4.600 2 HA LEU 64 HA LEU 64 -3.939 -23.023 -5.114 3 HB2 LEU 64 1HB LEU 64 -3.928 -20.610 -5.792 4 HB3 LEU 64 2HB LEU 64 -2.899 -21.106 -7.144 5 HG LEU 64 HG LEU 64 -5.643 -22.256 -6.395 6 HD12 LEU 64 HD11 LEU 64 -4.947 -20.324 -8.619 7 HD11 LEU 64 HD12 LEU 64 -5.854 -19.963 -7.137 8 HD13 LEU 64 HD13 LEU 64 -6.528 -21.076 -8.330 9 HD21 LEU 64 HD21 LEU 64 -3.776 -22.920 -8.677 10 HD23 LEU 64 HD22 LEU 64 -5.532 -23.129 -8.804 11 HD22 LEU 64 HD23 LEU 64 -4.644 -23.995 -7.560 No H/Q in entry = 11 Start of MODEL 1 1 H LEU 65 H LEU 65 -3.379 -25.032 -5.832 2 HA LEU 65 HA LEU 65 -0.707 -25.672 -6.857 3 HB2 LEU 65 1HB LEU 65 -1.900 -27.060 -5.126 4 HB3 LEU 65 2HB LEU 65 -3.153 -27.393 -6.326 5 HG LEU 65 HG LEU 65 -1.298 -28.402 -7.801 6 HD12 LEU 65 HD11 LEU 65 0.667 -29.238 -6.532 7 HD11 LEU 65 HD12 LEU 65 0.227 -28.201 -5.176 8 HD13 LEU 65 HD13 LEU 65 0.687 -27.485 -6.742 9 HD21 LEU 65 HD21 LEU 65 -2.948 -29.755 -6.519 10 HD23 LEU 65 HD22 LEU 65 -1.859 -29.727 -5.118 11 HD22 LEU 65 HD23 LEU 65 -1.364 -30.541 -6.620 No H/Q in entry = 11 Start of MODEL 1 1 H TYR 66 H TYR 66 -0.262 -26.054 -8.984 2 HA TYR 66 HA TYR 66 -2.505 -26.244 -10.967 3 HB2 TYR 66 1HB TYR 66 0.182 -24.860 -11.185 4 HB3 TYR 66 2HB TYR 66 -0.925 -25.142 -12.526 5 HD1 TYR 66 HD1 TYR 66 -3.115 -23.977 -12.642 6 HD2 TYR 66 HD2 TYR 66 -0.279 -23.130 -9.509 7 HE1 TYR 66 HE1 TYR 66 -4.166 -21.759 -12.287 8 HE2 TYR 66 HE2 TYR 66 -1.336 -20.918 -9.152 9 HH TYR 66 HH TYR 66 -2.989 -19.469 -9.808 No H/Q in entry = 9 Start of MODEL 1 1 H TYR 67 H TYR 67 -2.512 -28.497 -10.884 2 HA TYR 67 HA TYR 67 0.046 -29.933 -11.255 3 HB2 TYR 67 1HB TYR 67 -1.008 -31.783 -10.229 4 HB3 TYR 67 2HB TYR 67 -1.048 -30.347 -9.228 5 HD1 TYR 67 HD1 TYR 67 -2.986 -32.964 -10.828 6 HD2 TYR 67 HD2 TYR 67 -3.279 -29.113 -8.909 7 HE1 TYR 67 HE1 TYR 67 -5.410 -33.310 -10.503 8 HE2 TYR 67 HE2 TYR 67 -5.713 -29.446 -8.619 9 HH TYR 67 HH TYR 67 -7.394 -32.386 -9.791 No H/Q in entry = 9 Start of MODEL 1 1 H THR 68 H THR 68 0.456 -30.786 -13.276 2 HA THR 68 HA THR 68 -1.739 -31.881 -14.949 3 HB THR 68 HB THR 68 -0.104 -30.438 -15.955 4 HG1 THR 68 HG1 THR 68 -1.116 -32.124 -17.114 5 HG22 THR 68 HG21 THR 68 2.224 -31.284 -16.362 6 HG21 THR 68 HG22 THR 68 1.912 -32.640 -15.282 7 HG23 THR 68 HG23 THR 68 1.927 -30.976 -14.657 No H/Q in entry = 7 Start of MODEL 1 1 H GLU 69 H GLU 69 -0.669 -34.018 -16.127 2 HA GLU 69 HA GLU 69 0.776 -35.770 -14.244 3 HB2 GLU 69 1HB GLU 69 -1.596 -36.463 -14.109 4 HB3 GLU 69 2HB GLU 69 -1.610 -36.730 -15.861 5 HG2 GLU 69 1HG GLU 69 0.223 -38.415 -15.596 6 HG3 GLU 69 2HG GLU 69 0.243 -38.113 -13.855 No H/Q in entry = 6 Start of MODEL 1 1 H PHE 70 H PHE 70 2.652 -35.380 -15.340 2 HA PHE 70 HA PHE 70 2.764 -35.653 -18.273 3 HB2 PHE 70 1HB PHE 70 4.985 -34.827 -18.070 4 HB3 PHE 70 2HB PHE 70 3.866 -33.761 -17.238 5 HD1 PHE 70 HD1 PHE 70 3.885 -33.595 -14.750 6 HD2 PHE 70 HD2 PHE 70 6.735 -36.038 -16.859 7 HE1 PHE 70 HE1 PHE 70 5.285 -33.760 -12.698 8 HE2 PHE 70 HE2 PHE 70 8.131 -36.160 -14.804 9 HZ PHE 70 HZ PHE 70 7.338 -35.097 -12.707 No H/Q in entry = 9 Start of MODEL 1 1 H THR 71 H THR 71 4.041 -37.196 -19.342 2 HA THR 71 HA THR 71 4.794 -39.631 -17.846 3 HB THR 71 HB THR 71 4.508 -39.108 -20.797 4 HG1 THR 71 HG1 THR 71 2.904 -40.431 -18.875 5 HG23 THR 71 HG21 THR 71 6.131 -40.947 -20.355 6 HG22 THR 71 HG22 THR 71 4.597 -41.578 -20.965 7 HG21 THR 71 HG23 THR 71 4.978 -41.695 -19.233 No H/Q in entry = 7 Start of MODEL 1 1 HA PRO 72 HA PRO 72 8.991 -37.668 -18.473 2 HB2 PRO 72 1HB PRO 72 10.321 -38.884 -16.430 3 HB3 PRO 72 2HB PRO 72 9.267 -37.466 -16.195 4 HG2 PRO 72 1HG PRO 72 8.554 -40.386 -15.807 5 HG3 PRO 72 2HG PRO 72 8.262 -39.036 -14.672 6 HD2 PRO 72 1HD PRO 72 6.338 -39.950 -16.370 7 HD3 PRO 72 2HD PRO 72 6.488 -38.219 -15.991 No H/Q in entry = 7 Start of MODEL 1 1 H THR 73 H THR 73 10.351 -38.496 -19.950 2 HA THR 73 HA THR 73 10.329 -41.392 -20.507 3 HB THR 73 HB THR 73 11.654 -40.743 -22.492 4 HG1 THR 73 HG1 THR 73 11.172 -38.098 -21.582 5 HG23 THR 73 HG21 THR 73 9.815 -39.619 -23.675 6 HG22 THR 73 HG22 THR 73 9.067 -39.160 -22.133 7 HG21 THR 73 HG23 THR 73 9.180 -40.874 -22.591 No H/Q in entry = 7 Start of MODEL 1 1 H GLU 74 H GLU 74 13.012 -39.028 -20.526 2 HA GLU 74 HA GLU 74 14.452 -40.104 -18.313 3 HB2 GLU 74 1HB GLU 74 14.831 -42.027 -19.817 4 HB3 GLU 74 2HB GLU 74 15.348 -40.946 -21.114 5 HG2 GLU 74 1HG GLU 74 17.318 -40.271 -19.721 6 HG3 GLU 74 2HG GLU 74 16.780 -41.386 -18.455 No H/Q in entry = 6 Start of MODEL 1 1 H LYS 75 H LYS 75 15.314 -38.833 -21.565 2 HA LYS 75 HA LYS 75 16.791 -36.598 -20.328 3 HB2 LYS 75 1HB LYS 75 17.668 -37.987 -22.251 4 HB3 LYS 75 2HB LYS 75 16.412 -37.267 -23.268 5 HG2 LYS 75 1HG LYS 75 17.356 -34.991 -22.676 6 HG3 LYS 75 2HG LYS 75 18.627 -35.800 -21.746 7 HD2 LYS 75 1HD LYS 75 19.419 -36.951 -23.769 8 HD3 LYS 75 2HD LYS 75 18.114 -36.230 -24.728 9 HE2 LYS 75 1HE LYS 75 20.305 -34.660 -23.292 10 HE3 LYS 75 2HE LYS 75 20.283 -35.049 -25.022 11 HZ1 LYS 75 1HZ LYS 75 18.247 -33.815 -25.212 12 HZ3 LYS 75 2HZ LYS 75 19.462 -32.866 -24.629 13 HZ2 LYS 75 3HZ LYS 75 18.290 -33.420 -23.614 No H/Q in entry = 13 Start of MODEL 1 1 H ASP 76 H ASP 76 14.319 -36.371 -19.515 2 HA ASP 76 HA ASP 76 12.696 -34.692 -21.314 3 HB2 ASP 76 1HB ASP 76 11.002 -34.989 -19.592 4 HB3 ASP 76 2HB ASP 76 11.616 -36.518 -20.213 No H/Q in entry = 4 Start of MODEL 1 1 H GLU 77 H GLU 77 11.545 -32.820 -20.149 2 HA GLU 77 HA GLU 77 12.977 -31.362 -18.120 3 HB2 GLU 77 1HB GLU 77 13.682 -29.480 -19.518 4 HB3 GLU 77 2HB GLU 77 14.604 -30.946 -19.796 5 HG2 GLU 77 1HG GLU 77 12.456 -29.864 -21.676 6 HG3 GLU 77 2HG GLU 77 14.191 -29.681 -21.842 No H/Q in entry = 6 Start of MODEL 1 1 H TYR 78 H TYR 78 10.869 -31.525 -17.251 2 HA TYR 78 HA TYR 78 8.687 -30.000 -18.500 3 HB2 TYR 78 1HB TYR 78 8.866 -31.320 -15.768 4 HB3 TYR 78 2HB TYR 78 7.413 -30.680 -16.524 5 HD1 TYR 78 HD1 TYR 78 6.380 -31.844 -18.476 6 HD2 TYR 78 HD2 TYR 78 9.828 -33.445 -16.477 7 HE1 TYR 78 HE1 TYR 78 6.335 -33.843 -19.968 8 HE2 TYR 78 HE2 TYR 78 9.599 -35.538 -17.760 9 HH TYR 78 HH TYR 78 7.369 -35.795 -20.564 No H/Q in entry = 9 Start of MODEL 1 1 H ALA 79 H ALA 79 7.709 -28.134 -17.469 2 HA ALA 79 HA ALA 79 9.237 -26.700 -15.424 3 HB3 ALA 79 1HB ALA 79 9.132 -25.783 -18.334 4 HB2 ALA 79 2HB ALA 79 9.613 -24.745 -16.979 5 HB1 ALA 79 3HB ALA 79 10.589 -26.169 -17.390 No H/Q in entry = 5 Start of MODEL 1 1 H CYS 80 H CYS 80 7.956 -25.374 -14.280 2 HA CYS 80 HA CYS 80 5.207 -24.839 -15.180 3 HB2 CYS 80 1HB CYS 80 5.759 -25.592 -12.865 4 HB3 CYS 80 2HB CYS 80 6.536 -24.027 -12.591 No H/Q in entry = 4 Start of MODEL 1 1 H ARG 81 H ARG 81 4.586 -22.925 -16.010 2 HA ARG 81 HA ARG 81 6.556 -20.809 -16.614 3 HB2 ARG 81 1HB ARG 81 5.238 -21.861 -18.408 4 HB3 ARG 81 2HB ARG 81 3.751 -21.465 -17.541 5 HG2 ARG 81 1HG ARG 81 4.041 -19.977 -19.384 6 HG3 ARG 81 2HG ARG 81 4.125 -19.064 -17.872 7 HD2 ARG 81 1HD ARG 81 6.511 -18.827 -18.071 8 HD3 ARG 81 2HD ARG 81 6.598 -20.071 -19.326 9 HE ARG 81 HE ARG 81 5.541 -17.297 -19.589 10 HH12 ARG 81 HH11 ARG 81 6.191 -19.639 -22.845 11 HH11 ARG 81 HH12 ARG 81 6.455 -20.325 -21.263 12 HH21 ARG 81 HH21 ARG 81 5.243 -16.458 -21.667 13 HH22 ARG 81 HH22 ARG 81 5.526 -17.450 -23.078 No H/Q in entry = 13 Start of MODEL 1 1 H VAL 82 H VAL 82 6.545 -19.122 -15.059 2 HA VAL 82 HA VAL 82 3.982 -18.631 -13.571 3 HB VAL 82 HB VAL 82 6.810 -18.385 -12.501 4 HG11 VAL 82 HG11 VAL 82 5.095 -16.922 -11.412 5 HG12 VAL 82 HG12 VAL 82 4.058 -18.343 -11.172 6 HG13 VAL 82 HG13 VAL 82 5.623 -18.230 -10.341 7 HG22 VAL 82 HG21 VAL 82 6.320 -20.763 -12.887 8 HG23 VAL 82 HG22 VAL 82 6.174 -20.409 -11.164 9 HG21 VAL 82 HG23 VAL 82 4.714 -20.581 -12.154 No H/Q in entry = 9 Start of MODEL 1 1 H ASN 83 H ASN 83 3.360 -17.166 -15.216 2 HA ASN 83 HA ASN 83 4.724 -14.510 -15.124 3 HB2 ASN 83 1HB ASN 83 2.495 -15.614 -16.870 4 HB3 ASN 83 2HB ASN 83 2.991 -13.915 -16.840 5 HD21 ASN 83 HD21 ASN 83 4.772 -13.294 -18.059 6 HD22 ASN 83 HD22 ASN 83 5.773 -14.414 -18.955 No H/Q in entry = 6 Start of MODEL 1 1 H HIS 84 H HIS 84 3.610 -12.743 -14.318 2 HA HIS 84 HA HIS 84 1.017 -12.943 -13.009 3 HB2 HIS 84 1HB HIS 84 2.597 -14.117 -11.419 4 HB3 HIS 84 2HB HIS 84 3.605 -12.674 -11.412 5 HD2 HIS 84 HD2 HIS 84 -0.344 -12.786 -10.800 6 HE1 HIS 84 HE1 HIS 84 1.624 -11.087 -7.472 7 HE2 HIS 84 HE2 HIS 84 -0.661 -11.611 -8.494 No H/Q in entry = 7 Start of MODEL 1 1 H VAL 85 H VAL 85 0.671 -10.723 -11.788 2 HA VAL 85 HA VAL 85 1.381 -8.616 -13.598 3 HB VAL 85 HB VAL 85 0.119 -8.342 -10.866 4 HG12 VAL 85 HG11 VAL 85 -0.878 -6.304 -11.873 5 HG13 VAL 85 HG12 VAL 85 0.883 -6.194 -11.805 6 HG11 VAL 85 HG13 VAL 85 0.077 -6.572 -13.344 7 HG22 VAL 85 HG21 VAL 85 -1.228 -9.913 -12.179 8 HG23 VAL 85 HG22 VAL 85 -2.040 -8.350 -12.124 9 HG21 VAL 85 HG23 VAL 85 -1.161 -8.832 -13.588 No H/Q in entry = 9 Start of MODEL 1 1 H THR 86 H THR 86 2.851 -9.824 -10.568 2 HA THR 86 HA THR 86 4.541 -7.489 -10.212 3 HB THR 86 HB THR 86 5.729 -8.816 -8.581 4 HG1 THR 86 HG1 THR 86 4.089 -10.957 -9.426 5 HG22 THR 86 HG21 THR 86 2.710 -9.161 -8.325 6 HG21 THR 86 HG22 THR 86 3.659 -7.742 -7.886 7 HG23 THR 86 HG23 THR 86 3.892 -9.260 -7.000 No H/Q in entry = 7 Start of MODEL 1 1 H LEU 87 H LEU 87 4.964 -10.779 -11.619 2 HA LEU 87 HA LEU 87 7.769 -10.325 -12.190 3 HB2 LEU 87 1HB LEU 87 5.868 -12.544 -13.038 4 HB3 LEU 87 2HB LEU 87 7.618 -12.550 -13.278 5 HG LEU 87 HG LEU 87 6.220 -12.488 -10.561 6 HD11 LEU 87 HD11 LEU 87 7.604 -14.712 -12.116 7 HD13 LEU 87 HD12 LEU 87 5.875 -14.596 -11.706 8 HD12 LEU 87 HD13 LEU 87 7.083 -14.830 -10.426 9 HD23 LEU 87 HD21 LEU 87 8.499 -13.066 -9.691 10 HD22 LEU 87 HD22 LEU 87 8.428 -11.435 -10.358 11 HD21 LEU 87 HD23 LEU 87 9.176 -12.746 -11.299 No H/Q in entry = 11 Start of MODEL 1 1 H SER 88 H SER 88 4.914 -10.891 -14.279 2 HA SER 88 HA SER 88 4.310 -10.179 -16.288 3 HB2 SER 88 1HB SER 88 5.150 -7.935 -15.593 4 HB3 SER 88 2HB SER 88 6.700 -8.297 -16.389 5 HG SER 88 HG SER 88 5.518 -8.646 -18.312 No H/Q in entry = 5 Start of MODEL 1 1 H GLN 89 H GLN 89 7.858 -10.657 -16.136 2 HA GLN 89 HA GLN 89 8.081 -11.532 -18.849 3 HB2 GLN 89 1HB GLN 89 9.947 -11.645 -16.439 4 HB3 GLN 89 2HB GLN 89 10.438 -12.117 -18.071 5 HG2 GLN 89 1HG GLN 89 9.830 -9.854 -18.911 6 HG3 GLN 89 2HG GLN 89 9.431 -9.355 -17.258 7 HE21 GLN 89 HE21 GLN 89 11.321 -7.952 -18.734 8 HE22 GLN 89 HE22 GLN 89 12.908 -8.219 -18.045 No H/Q in entry = 8 Start of MODEL 1 1 HA PRO 90 HA PRO 90 7.247 -15.888 -18.376 2 HB2 PRO 90 1HB PRO 90 8.807 -17.028 -20.300 3 HB3 PRO 90 2HB PRO 90 7.417 -15.965 -20.661 4 HG2 PRO 90 1HG PRO 90 10.327 -15.151 -20.541 5 HG3 PRO 90 2HG PRO 90 9.156 -14.855 -21.861 6 HD2 PRO 90 1HD PRO 90 9.643 -12.977 -19.985 7 HD3 PRO 90 2HD PRO 90 7.975 -13.247 -20.557 No H/Q in entry = 7 Start of MODEL 1 1 H LYS 91 H LYS 91 7.915 -16.308 -16.292 2 HA LYS 91 HA LYS 91 10.752 -16.814 -15.697 3 HB2 LYS 91 1HB LYS 91 9.112 -15.473 -14.272 4 HB3 LYS 91 2HB LYS 91 8.392 -17.014 -13.804 5 HG2 LYS 91 1HG LYS 91 11.299 -16.170 -13.411 6 HG3 LYS 91 2HG LYS 91 10.023 -16.144 -12.184 7 HD2 LYS 91 1HD LYS 91 9.750 -18.632 -12.497 8 HD3 LYS 91 2HD LYS 91 11.223 -18.620 -13.487 9 HE2 LYS 91 1HE LYS 91 10.996 -17.724 -10.582 10 HE3 LYS 91 2HE LYS 91 11.707 -19.242 -11.159 11 HZ1 LYS 91 1HZ LYS 91 13.346 -17.959 -12.326 12 HZ3 LYS 91 2HZ LYS 91 13.380 -17.655 -10.706 13 HZ2 LYS 91 3HZ LYS 91 12.714 -16.554 -11.735 No H/Q in entry = 13 Start of MODEL 1 1 H ILE 92 H ILE 92 11.225 -18.701 -16.806 2 HA ILE 92 HA ILE 92 9.499 -21.049 -16.712 3 HB ILE 92 HB ILE 92 12.344 -20.799 -17.760 4 HG13 ILE 92 HG12 ILE 92 11.384 -20.479 -19.996 5 HG22 ILE 92 HG21 ILE 92 11.670 -22.710 -19.187 6 HG23 ILE 92 HG22 ILE 92 11.598 -23.107 -17.464 7 HG21 ILE 92 HG23 ILE 92 10.104 -22.776 -18.357 8 HD11 ILE 92 HD11 ILE 92 9.009 -21.214 -19.561 9 HD12 ILE 92 HD12 ILE 92 8.795 -19.746 -18.576 10 HD13 ILE 92 HD13 ILE 92 9.144 -19.617 -20.308 11 HG12 ILE 92 HG11 ILE 92 11.129 -19.105 -18.931 No H/Q in entry = 11 Start of MODEL 1 1 H VAL 93 H VAL 93 9.348 -21.943 -14.689 2 HA VAL 93 HA VAL 93 11.655 -22.112 -12.917 3 HB VAL 93 HB VAL 93 8.906 -23.402 -12.614 4 HG13 VAL 93 HG11 VAL 93 10.518 -24.490 -11.173 5 HG11 VAL 93 HG12 VAL 93 11.286 -22.943 -10.765 6 HG12 VAL 93 HG13 VAL 93 9.668 -23.313 -10.163 7 HG22 VAL 93 HG21 VAL 93 8.369 -21.566 -11.152 8 HG23 VAL 93 HG22 VAL 93 9.947 -20.802 -11.473 9 HG21 VAL 93 HG23 VAL 93 8.728 -20.933 -12.765 No H/Q in entry = 9 Start of MODEL 1 1 H LYS 94 H LYS 94 12.871 -23.903 -12.516 2 HA LYS 94 HA LYS 94 12.731 -26.120 -14.482 3 HB2 LYS 94 1HB LYS 94 14.898 -25.204 -12.552 4 HB3 LYS 94 2HB LYS 94 15.035 -26.546 -13.707 5 HG2 LYS 94 1HG LYS 94 14.630 -24.987 -15.588 6 HG3 LYS 94 2HG LYS 94 14.441 -23.643 -14.447 7 HD2 LYS 94 1HD LYS 94 16.769 -23.891 -13.700 8 HD3 LYS 94 2HD LYS 94 16.980 -25.295 -14.761 9 HE2 LYS 94 1HE LYS 94 17.931 -23.242 -15.761 10 HE3 LYS 94 2HE LYS 94 16.619 -23.907 -16.751 11 HZ1 LYS 94 1HZ LYS 94 16.352 -21.673 -14.867 12 HZ3 LYS 94 2HZ LYS 94 15.162 -22.276 -15.835 13 HZ2 LYS 94 3HZ LYS 94 16.470 -21.537 -16.507 No H/Q in entry = 13 Start of MODEL 1 1 H TRP 95 H TRP 95 11.255 -27.575 -13.751 2 HA TRP 95 HA TRP 95 10.392 -28.207 -11.254 3 HB2 TRP 95 1HB TRP 95 9.318 -29.151 -13.165 4 HB3 TRP 95 2HB TRP 95 10.814 -29.896 -13.715 5 HD1 TRP 95 HD1 TRP 95 9.037 -30.299 -10.282 6 HE1 TRP 95 HE1 TRP 95 8.826 -32.818 -9.784 7 HE3 TRP 95 HE3 TRP 95 10.929 -32.150 -14.645 8 HZ2 TRP 95 HZ2 TRP 95 9.419 -35.296 -11.095 9 HZ3 TRP 95 HZ3 TRP 95 11.163 -34.617 -14.957 10 HH2 TRP 95 HH2 TRP 95 10.363 -36.181 -13.215 No H/Q in entry = 10 Start of MODEL 1 1 H ASP 96 H ASP 96 11.198 -29.046 -9.499 2 HA ASP 96 HA ASP 96 13.964 -29.967 -9.337 3 HB2 ASP 96 1HB ASP 96 11.813 -29.611 -7.214 4 HB3 ASP 96 2HB ASP 96 13.534 -29.904 -6.919 No H/Q in entry = 4 Start of MODEL 1 1 H ARG 97 H ARG 97 13.468 -31.857 -10.771 2 HA ARG 97 HA ARG 97 12.099 -34.130 -9.639 3 HB2 ARG 97 1HB ARG 97 12.784 -35.342 -11.473 4 HB3 ARG 97 2HB ARG 97 12.492 -33.706 -12.075 5 HG2 ARG 97 1HG ARG 97 15.235 -34.922 -11.544 6 HG3 ARG 97 2HG ARG 97 14.419 -34.793 -13.103 7 HD2 ARG 97 1HD ARG 97 14.360 -32.302 -12.850 8 HD3 ARG 97 2HD ARG 97 15.354 -32.469 -11.383 9 HE ARG 97 HE ARG 97 16.535 -33.867 -13.586 10 HH12 ARG 97 HH11 ARG 97 17.507 -29.956 -13.056 11 HH11 ARG 97 HH12 ARG 97 16.090 -30.598 -12.260 12 HH21 ARG 97 HH21 ARG 97 18.369 -33.002 -14.626 13 HH22 ARG 97 HH22 ARG 97 18.805 -31.323 -14.405 No H/Q in entry = 13 Start of MODEL 1 1 H ASP 98 H ASP 98 15.319 -32.792 -9.341 2 HA ASP 98 HA ASP 98 16.513 -35.209 -8.193 3 HB2 ASP 98 1HB ASP 98 17.746 -33.683 -9.724 4 HB3 ASP 98 2HB ASP 98 17.572 -32.371 -8.554 No H/Q in entry = 4 Start of MODEL 1 1 H MET 99 H MET 99 14.568 -35.094 -6.683 2 HA MET 99 HA MET 99 15.326 -33.900 -4.116 3 HB2 MET 99 1HB MET 99 14.059 -32.091 -5.272 4 HB3 MET 99 2HB MET 99 12.731 -33.220 -5.584 5 HG2 MET 99 1HG MET 99 12.210 -31.782 -3.698 6 HG3 MET 99 2HG MET 99 12.333 -33.458 -3.173 7 HE1 MET 99 1HE MET 99 12.126 -31.579 -0.960 8 HE2 MET 99 2HE MET 99 12.684 -33.243 -0.665 9 HE3 MET 99 3HE MET 99 13.544 -31.874 0.075 No H/Q in entry = 9 Start of MODEL 2 1 H1 MET 0 2H MET 0 -0.176 -1.092 -0.030 2 H2 MET 0 3H MET 0 0.995 -0.180 0.685 3 H3 MET 0 1H MET 0 0.113 0.441 -0.564 4 HA MET 0 HA MET 0 1.007 -1.147 -2.070 5 HB2 MET 0 1HB MET 0 3.064 0.454 -0.488 6 HB3 MET 0 2HB MET 0 3.421 -0.364 -2.017 7 HG2 MET 0 1HG MET 0 1.312 1.798 -1.660 8 HG3 MET 0 2HG MET 0 2.932 2.036 -2.312 9 HE2 MET 0 1HE MET 0 1.682 3.282 -4.377 10 HE3 MET 0 2HE MET 0 0.445 2.479 -5.372 11 HE1 MET 0 3HE MET 0 0.103 2.861 -3.668 No H/Q in entry = 11 Start of MODEL 2 1 H ILE 1 H ILE 1 1.338 -3.262 -2.161 2 HA ILE 1 HA ILE 1 3.438 -4.534 -0.628 3 HB ILE 1 HB ILE 1 1.705 -4.581 1.037 4 HG13 ILE 1 HG12 ILE 1 3.284 -6.446 0.842 5 HG21 ILE 1 HG21 ILE 1 -0.298 -4.515 -0.564 6 HG22 ILE 1 HG22 ILE 1 -0.112 -6.276 -0.702 7 HG23 ILE 1 HG23 ILE 1 -0.433 -5.533 0.866 8 HD11 ILE 1 HD11 ILE 1 1.555 -6.448 2.676 9 HD12 ILE 1 HD12 ILE 1 0.543 -7.498 1.655 10 HD13 ILE 1 HD13 ILE 1 2.126 -8.062 2.206 11 HG12 ILE 1 HG11 ILE 1 2.147 -7.336 -0.179 No H/Q in entry = 11 Start of MODEL 2 1 H GLN 2 H GLN 2 4.263 -4.712 -2.735 2 HA GLN 2 HA GLN 2 2.859 -6.303 -4.749 3 HB2 GLN 2 1HB GLN 2 4.357 -4.409 -5.321 4 HB3 GLN 2 2HB GLN 2 5.740 -5.314 -4.683 5 HG2 GLN 2 1HG GLN 2 5.263 -7.138 -6.347 6 HG3 GLN 2 2HG GLN 2 3.899 -6.187 -6.959 7 HE21 GLN 2 HE21 GLN 2 4.439 -3.953 -7.798 8 HE22 GLN 2 HE22 GLN 2 5.969 -3.740 -8.621 No H/Q in entry = 8 Start of MODEL 2 1 H ARG 3 H ARG 3 2.462 -8.118 -3.315 2 HA ARG 3 HA ARG 3 4.727 -9.706 -2.384 3 HB2 ARG 3 1HB ARG 3 2.090 -9.315 -1.548 4 HB3 ARG 3 2HB ARG 3 2.034 -10.935 -2.233 5 HG2 ARG 3 1HG ARG 3 4.102 -9.972 -0.200 6 HG3 ARG 3 2HG ARG 3 2.588 -10.772 0.242 7 HD2 ARG 3 1HD ARG 3 3.194 -12.812 -0.769 8 HD3 ARG 3 2HD ARG 3 4.538 -12.074 -1.676 9 HE ARG 3 HE ARG 3 4.863 -11.839 1.183 10 HH12 ARG 3 HH11 ARG 3 6.500 -15.001 -0.790 11 HH11 ARG 3 HH12 ARG 3 5.267 -14.051 -1.580 12 HH21 ARG 3 HH21 ARG 3 6.474 -13.108 2.197 13 HH22 ARG 3 HH22 ARG 3 7.188 -14.467 1.360 No H/Q in entry = 13 Start of MODEL 2 1 H THR 4 H THR 4 5.754 -11.121 -3.657 2 HA THR 4 HA THR 4 4.673 -11.712 -6.314 3 HB THR 4 HB THR 4 7.075 -12.391 -6.725 4 HG1 THR 4 HG1 THR 4 8.545 -11.920 -5.089 5 HG23 THR 4 HG21 THR 4 8.011 -10.141 -6.632 6 HG22 THR 4 HG22 THR 4 6.749 -9.611 -5.506 7 HG21 THR 4 HG23 THR 4 6.323 -10.064 -7.171 No H/Q in entry = 7 Start of MODEL 2 1 HA PRO 5 HA PRO 5 3.896 -16.032 -5.559 2 HB2 PRO 5 1HB PRO 5 4.791 -17.191 -7.937 3 HB3 PRO 5 2HB PRO 5 3.234 -16.355 -7.738 4 HG2 PRO 5 1HG PRO 5 5.827 -15.259 -8.797 5 HG3 PRO 5 2HG PRO 5 4.185 -15.049 -9.482 6 HD2 PRO 5 1HD PRO 5 5.313 -13.110 -8.012 7 HD3 PRO 5 2HD PRO 5 3.594 -13.514 -7.751 No H/Q in entry = 7 Start of MODEL 2 1 H LYS 6 H LYS 6 5.011 -17.315 -4.227 2 HA LYS 6 HA LYS 6 7.917 -17.712 -4.443 3 HB2 LYS 6 1HB LYS 6 6.941 -17.420 -2.241 4 HB3 LYS 6 2HB LYS 6 5.847 -18.795 -2.489 5 HG2 LYS 6 1HG LYS 6 7.689 -20.357 -2.580 6 HG3 LYS 6 2HG LYS 6 8.877 -19.044 -2.683 7 HD2 LYS 6 1HD LYS 6 8.292 -18.329 -0.388 8 HD3 LYS 6 2HD LYS 6 7.110 -19.655 -0.273 9 HE2 LYS 6 1HE LYS 6 8.914 -21.313 -0.597 10 HE3 LYS 6 2HE LYS 6 10.100 -20.010 -0.804 11 HZ2 LYS 6 1HZ LYS 6 8.568 -20.554 1.634 12 HZ1 LYS 6 2HZ LYS 6 9.651 -19.325 1.433 13 HZ3 LYS 6 3HZ LYS 6 10.162 -20.891 1.382 No H/Q in entry = 13 Start of MODEL 2 1 H ILE 7 H ILE 7 8.761 -19.346 -5.603 2 HA ILE 7 HA ILE 7 7.058 -21.293 -6.931 3 HB ILE 7 HB ILE 7 9.161 -22.062 -7.947 4 HG13 ILE 7 HG12 ILE 7 10.724 -21.436 -6.047 5 HG23 ILE 7 HG21 ILE 7 9.441 -20.046 -9.340 6 HG21 ILE 7 HG22 ILE 7 7.740 -20.285 -8.930 7 HG22 ILE 7 HG23 ILE 7 8.689 -19.046 -8.088 8 HD11 ILE 7 HD11 ILE 7 11.604 -22.002 -8.277 9 HD12 ILE 7 HD12 ILE 7 11.569 -20.274 -8.714 10 HD13 ILE 7 HD13 ILE 7 12.596 -20.833 -7.388 11 HG12 ILE 7 HG11 ILE 7 10.547 -19.744 -6.521 No H/Q in entry = 11 Start of MODEL 2 1 H GLN 8 H GLN 8 6.687 -23.348 -6.386 2 HA GLN 8 HA GLN 8 8.481 -24.858 -4.617 3 HB2 GLN 8 1HB GLN 8 5.554 -24.372 -3.925 4 HB3 GLN 8 2HB GLN 8 6.599 -25.588 -3.174 5 HG2 GLN 8 1HG GLN 8 8.085 -23.755 -2.354 6 HG3 GLN 8 2HG GLN 8 6.974 -22.569 -3.073 7 HE21 GLN 8 HE21 GLN 8 5.774 -21.574 -1.568 8 HE22 GLN 8 HE22 GLN 8 5.070 -22.350 -0.166 No H/Q in entry = 8 Start of MODEL 2 1 H VAL 9 H VAL 9 8.759 -25.614 -6.872 2 HA VAL 9 HA VAL 9 6.526 -27.154 -8.035 3 HB VAL 9 HB VAL 9 9.218 -26.428 -9.147 4 HG12 VAL 9 HG11 VAL 9 8.079 -26.997 -11.342 5 HG13 VAL 9 HG12 VAL 9 8.338 -28.382 -10.280 6 HG11 VAL 9 HG13 VAL 9 6.728 -27.658 -10.393 7 HG22 VAL 9 HG21 VAL 9 7.917 -24.390 -8.801 8 HG23 VAL 9 HG22 VAL 9 7.856 -24.799 -10.527 9 HG21 VAL 9 HG23 VAL 9 6.467 -25.150 -9.488 No H/Q in entry = 9 Start of MODEL 2 1 H TYR 10 H TYR 10 6.546 -28.885 -6.618 2 HA TYR 10 HA TYR 10 8.851 -30.771 -6.649 3 HB2 TYR 10 1HB TYR 10 7.801 -31.825 -4.788 4 HB3 TYR 10 2HB TYR 10 8.097 -30.118 -4.527 5 HD1 TYR 10 HD1 TYR 10 6.231 -28.509 -4.316 6 HD2 TYR 10 HD2 TYR 10 5.525 -32.736 -4.786 7 HE1 TYR 10 HE1 TYR 10 3.919 -28.216 -3.487 8 HE2 TYR 10 HE2 TYR 10 3.223 -32.444 -3.922 9 HH TYR 10 HH TYR 10 1.909 -29.236 -3.013 No H/Q in entry = 9 Start of MODEL 2 1 H SER 11 H SER 11 8.500 -33.037 -7.117 2 HA SER 11 HA SER 11 6.167 -33.755 -8.786 3 HB2 SER 11 1HB SER 11 7.372 -35.937 -8.913 4 HB3 SER 11 2HB SER 11 8.176 -34.556 -9.655 5 HG SER 11 HG SER 11 9.580 -35.850 -8.353 No H/Q in entry = 5 Start of MODEL 2 1 H ARG 12 H ARG 12 4.509 -34.990 -7.991 2 HA ARG 12 HA ARG 12 4.355 -35.610 -5.142 3 HB2 ARG 12 1HB ARG 12 2.362 -34.861 -6.166 4 HB3 ARG 12 2HB ARG 12 2.505 -36.013 -7.507 5 HG2 ARG 12 1HG ARG 12 0.755 -36.694 -5.982 6 HG3 ARG 12 2HG ARG 12 2.059 -37.877 -5.955 7 HD2 ARG 12 1HD ARG 12 2.911 -36.760 -3.814 8 HD3 ARG 12 2HD ARG 12 1.509 -35.689 -3.897 9 HE ARG 12 HE ARG 12 0.195 -37.362 -3.066 10 HH12 ARG 12 HH11 ARG 12 2.766 -40.442 -3.737 11 HH11 ARG 12 HH12 ARG 12 3.199 -38.844 -4.292 12 HH21 ARG 12 HH21 ARG 12 -0.334 -39.468 -2.357 13 HH22 ARG 12 HH22 ARG 12 0.768 -40.797 -2.634 No H/Q in entry = 13 Start of MODEL 2 1 H HIS 13 H HIS 13 4.276 -37.537 -8.193 2 HA HIS 13 HA HIS 13 4.867 -40.023 -6.727 3 HB2 HIS 13 1HB HIS 13 4.337 -39.452 -9.661 4 HB3 HIS 13 2HB HIS 13 4.482 -41.056 -8.955 5 HD1 HIS 13 HD1 HIS 13 2.459 -42.018 -7.678 6 HD2 HIS 13 HD2 HIS 13 1.934 -38.051 -8.906 7 HE1 HIS 13 HE1 HIS 13 0.010 -41.433 -7.321 No H/Q in entry = 7 Start of MODEL 2 1 HA PRO 14 HA PRO 14 9.205 -39.832 -7.847 2 HB2 PRO 14 1HB PRO 14 9.902 -42.454 -8.244 3 HB3 PRO 14 2HB PRO 14 9.527 -41.767 -6.638 4 HG2 PRO 14 1HG PRO 14 7.656 -43.292 -8.465 5 HG3 PRO 14 2HG PRO 14 7.961 -43.578 -6.726 6 HD2 PRO 14 1HD PRO 14 5.831 -42.132 -7.561 7 HD3 PRO 14 2HD PRO 14 6.740 -41.629 -6.109 No H/Q in entry = 7 Start of MODEL 2 1 H ALA 15 H ALA 15 10.413 -39.581 -9.698 2 HA ALA 15 HA ALA 15 9.027 -39.768 -12.261 3 HB3 ALA 15 1HB ALA 15 11.000 -38.527 -13.070 4 HB1 ALA 15 2HB ALA 15 10.285 -37.766 -11.633 5 HB2 ALA 15 3HB ALA 15 11.777 -38.712 -11.482 No H/Q in entry = 5 Start of MODEL 2 1 H GLU 16 H GLU 16 8.930 -42.183 -12.085 2 HA GLU 16 HA GLU 16 11.461 -43.625 -12.164 3 HB2 GLU 16 1HB GLU 16 9.403 -44.130 -10.763 4 HB3 GLU 16 2HB GLU 16 8.664 -44.799 -12.216 5 HG2 GLU 16 1HG GLU 16 11.337 -45.672 -10.998 6 HG3 GLU 16 2HG GLU 16 9.788 -46.454 -10.678 No H/Q in entry = 6 Start of MODEL 2 1 H ASN 17 H ASN 17 12.039 -42.607 -14.229 2 HA ASN 17 HA ASN 17 12.490 -42.719 -16.456 3 HB2 ASN 17 1HB ASN 17 12.256 -45.668 -15.742 4 HB3 ASN 17 2HB ASN 17 13.155 -45.001 -17.111 5 HD21 ASN 17 HD21 ASN 17 14.928 -43.397 -16.589 6 HD22 ASN 17 HD22 ASN 17 15.851 -43.679 -15.133 No H/Q in entry = 6 Start of MODEL 2 1 H GLY 18 H GLY 18 10.364 -41.737 -17.068 2 HA3 GLY 18 1HA GLY 18 8.675 -41.607 -18.597 3 HA2 GLY 18 2HA GLY 18 9.272 -43.111 -19.313 No H/Q in entry = 3 Start of MODEL 2 1 H LYS 19 H LYS 19 7.734 -42.093 -16.231 2 HA LYS 19 HA LYS 19 5.456 -43.921 -16.659 3 HB2 LYS 19 1HB LYS 19 7.253 -45.118 -15.350 4 HB3 LYS 19 2HB LYS 19 7.103 -43.860 -14.103 5 HG2 LYS 19 1HG LYS 19 4.704 -44.499 -13.809 6 HG3 LYS 19 2HG LYS 19 4.913 -45.749 -15.059 7 HD2 LYS 19 1HD LYS 19 6.735 -46.784 -13.649 8 HD3 LYS 19 2HD LYS 19 6.429 -45.554 -12.413 9 HE2 LYS 19 1HE LYS 19 5.343 -47.602 -11.764 10 HE3 LYS 19 2HE LYS 19 4.098 -46.401 -12.155 11 HZ3 LYS 19 1HZ LYS 19 3.816 -47.465 -14.261 12 HZ2 LYS 19 2HZ LYS 19 3.659 -48.584 -13.061 13 HZ1 LYS 19 3HZ LYS 19 5.042 -48.525 -13.956 No H/Q in entry = 13 Start of MODEL 2 1 H SER 20 H SER 20 3.642 -42.855 -16.162 2 HA SER 20 HA SER 20 3.587 -40.161 -16.123 3 HB2 SER 20 1HB SER 20 1.390 -41.956 -15.020 4 HB3 SER 20 2HB SER 20 1.198 -40.302 -15.637 5 HG SER 20 HG SER 20 2.122 -42.549 -17.106 No H/Q in entry = 5 Start of MODEL 2 1 H ASN 21 H ASN 21 3.590 -38.485 -14.756 2 HA ASN 21 HA ASN 21 3.705 -38.915 -11.817 3 HB2 ASN 21 1HB ASN 21 5.977 -39.128 -12.834 4 HB3 ASN 21 2HB ASN 21 5.785 -37.536 -13.576 5 HD21 ASN 21 HD21 ASN 21 7.983 -37.807 -12.151 6 HD22 ASN 21 HD22 ASN 21 7.875 -37.048 -10.578 No H/Q in entry = 6 Start of MODEL 2 1 H PHE 22 H PHE 22 2.609 -37.311 -10.766 2 HA PHE 22 HA PHE 22 1.607 -35.031 -12.312 3 HB2 PHE 22 1HB PHE 22 1.100 -35.958 -9.485 4 HB3 PHE 22 2HB PHE 22 0.529 -34.424 -10.119 5 HD1 PHE 22 HD1 PHE 22 0.360 -38.128 -10.793 6 HD2 PHE 22 HD2 PHE 22 -1.494 -34.270 -11.353 7 HE1 PHE 22 HE1 PHE 22 -1.675 -39.224 -11.669 8 HE2 PHE 22 HE2 PHE 22 -3.519 -35.389 -12.240 9 HZ PHE 22 HZ PHE 22 -3.606 -37.856 -12.419 No H/Q in entry = 9 Start of MODEL 2 1 H LEU 23 H LEU 23 2.786 -33.278 -12.569 2 HA LEU 23 HA LEU 23 4.892 -32.437 -10.732 3 HB2 LEU 23 1HB LEU 23 4.768 -31.873 -13.243 4 HB3 LEU 23 2HB LEU 23 3.390 -30.846 -12.858 5 HG LEU 23 HG LEU 23 4.910 -29.468 -11.396 6 HD12 LEU 23 HD11 LEU 23 7.385 -29.835 -11.767 7 HD11 LEU 23 HD12 LEU 23 7.011 -31.415 -12.469 8 HD13 LEU 23 HD13 LEU 23 6.635 -31.074 -10.763 9 HD21 LEU 23 HD21 LEU 23 5.834 -29.896 -14.270 10 HD23 LEU 23 HD22 LEU 23 6.141 -28.450 -13.285 11 HD22 LEU 23 HD23 LEU 23 4.482 -28.868 -13.749 No H/Q in entry = 11 Start of MODEL 2 1 H ASN 24 H ASN 24 4.585 -30.623 -9.224 2 HA ASN 24 HA ASN 24 1.761 -29.800 -8.685 3 HB2 ASN 24 1HB ASN 24 3.725 -31.133 -6.802 4 HB3 ASN 24 2HB ASN 24 2.448 -30.063 -6.234 5 HD21 ASN 24 HD21 ASN 24 2.885 -32.976 -8.361 6 HD22 ASN 24 HD22 ASN 24 1.371 -33.713 -7.897 No H/Q in entry = 6 Start of MODEL 2 1 H CYS 25 H CYS 25 2.287 -27.871 -9.712 2 HA CYS 25 HA CYS 25 4.412 -26.149 -8.651 3 HB2 CYS 25 1HB CYS 25 2.285 -25.766 -10.778 4 HB3 CYS 25 2HB CYS 25 3.505 -24.561 -10.367 No H/Q in entry = 4 Start of MODEL 2 1 H TYR 26 H TYR 26 3.862 -25.836 -6.503 2 HA TYR 26 HA TYR 26 1.196 -24.856 -5.740 3 HB2 TYR 26 1HB TYR 26 2.282 -26.582 -4.435 4 HB3 TYR 26 2HB TYR 26 3.681 -25.569 -4.155 5 HD1 TYR 26 HD1 TYR 26 0.104 -26.105 -3.337 6 HD2 TYR 26 HD2 TYR 26 3.637 -23.817 -2.429 7 HE1 TYR 26 HE1 TYR 26 -0.814 -25.570 -1.109 8 HE2 TYR 26 HE2 TYR 26 2.654 -23.159 -0.259 9 HH TYR 26 HH TYR 26 0.872 -23.403 1.194 No H/Q in entry = 9 Start of MODEL 2 1 H VAL 27 H VAL 27 1.043 -22.775 -6.606 2 HA VAL 27 HA VAL 27 3.290 -20.895 -6.209 3 HB VAL 27 HB VAL 27 0.790 -20.659 -7.912 4 HG12 VAL 27 HG11 VAL 27 2.130 -18.867 -9.012 5 HG13 VAL 27 HG12 VAL 27 1.759 -18.464 -7.330 6 HG11 VAL 27 HG13 VAL 27 3.379 -19.052 -7.765 7 HG22 VAL 27 HG21 VAL 27 2.135 -22.486 -8.762 8 HG23 VAL 27 HG22 VAL 27 2.464 -21.077 -9.771 9 HG21 VAL 27 HG23 VAL 27 3.638 -21.566 -8.535 No H/Q in entry = 9 Start of MODEL 2 1 H SER 28 H SER 28 3.094 -20.324 -4.029 2 HA SER 28 HA SER 28 0.556 -19.146 -3.068 3 HB2 SER 28 1HB SER 28 1.608 -19.411 -0.864 4 HB3 SER 28 2HB SER 28 1.512 -20.924 -1.786 5 HG SER 28 HG SER 28 3.543 -20.728 -0.881 No H/Q in entry = 5 Start of MODEL 2 1 H GLY 29 H GLY 29 0.459 -17.110 -2.070 2 HA3 GLY 29 1HA GLY 29 1.121 -15.105 -1.215 3 HA2 GLY 29 2HA GLY 29 2.805 -15.540 -1.513 No H/Q in entry = 3 Start of MODEL 2 1 H PHE 30 H PHE 30 0.421 -15.460 -4.154 2 HA PHE 30 HA PHE 30 1.874 -13.161 -5.320 3 HB2 PHE 30 1HB PHE 30 1.112 -13.882 -7.394 4 HB3 PHE 30 2HB PHE 30 1.852 -15.187 -6.488 5 HD1 PHE 30 HD1 PHE 30 0.435 -17.098 -5.628 6 HD2 PHE 30 HD2 PHE 30 -1.176 -13.927 -8.057 7 HE1 PHE 30 HE1 PHE 30 -1.669 -18.391 -5.950 8 HE2 PHE 30 HE2 PHE 30 -3.296 -15.196 -8.291 9 HZ PHE 30 HZ PHE 30 -3.588 -17.330 -7.148 No H/Q in entry = 9 Start of MODEL 2 1 H HIS 31 H HIS 31 0.949 -11.263 -4.843 2 HA HIS 31 HA HIS 31 -2.004 -10.927 -4.898 3 HB2 HIS 31 1HB HIS 31 0.176 -9.383 -3.556 4 HB3 HIS 31 2HB HIS 31 -1.471 -8.785 -3.759 5 HD1 HIS 31 HD1 HIS 31 -3.006 -9.284 -1.897 6 HD2 HIS 31 HD2 HIS 31 -0.121 -12.282 -2.376 7 HE1 HIS 31 HE1 HIS 31 -3.485 -11.074 -0.168 No H/Q in entry = 7 Start of MODEL 2 1 HA PRO 32 HA PRO 32 -3.649 -9.767 -5.692 2 HB2 PRO 32 1HB PRO 32 -5.250 -9.203 -7.770 3 HB3 PRO 32 2HB PRO 32 -4.398 -7.919 -6.874 4 HG2 PRO 32 1HG PRO 32 -3.483 -9.259 -9.448 5 HG3 PRO 32 2HG PRO 32 -3.713 -7.506 -9.162 6 HD2 PRO 32 1HD PRO 32 -1.274 -8.724 -8.851 7 HD3 PRO 32 2HD PRO 32 -1.794 -7.401 -7.768 No H/Q in entry = 7 Start of MODEL 2 1 H SER 33 H SER 33 -5.535 -11.097 -6.887 2 HA SER 33 HA SER 33 -4.685 -13.772 -7.165 3 HB2 SER 33 1HB SER 33 -7.110 -14.138 -7.651 4 HB3 SER 33 2HB SER 33 -6.818 -13.146 -6.212 5 HG SER 33 HG SER 33 -7.420 -12.158 -8.808 No H/Q in entry = 5 Start of MODEL 2 1 H ASP 34 H ASP 34 -4.606 -11.319 -9.575 2 HA ASP 34 HA ASP 34 -5.593 -12.928 -11.788 3 HB2 ASP 34 1HB ASP 34 -4.312 -10.171 -11.686 4 HB3 ASP 34 2HB ASP 34 -5.108 -10.904 -13.090 No H/Q in entry = 4 Start of MODEL 2 1 H ILE 35 H ILE 35 -3.863 -14.613 -11.171 2 HA ILE 35 HA ILE 35 -1.224 -14.061 -12.355 3 HB ILE 35 HB ILE 35 -1.430 -15.019 -10.139 4 HG13 ILE 35 HG12 ILE 35 0.545 -15.260 -11.675 5 HG22 ILE 35 HG21 ILE 35 -2.406 -17.531 -11.600 6 HG23 ILE 35 HG22 ILE 35 -2.002 -17.445 -9.882 7 HG21 ILE 35 HG23 ILE 35 -3.383 -16.537 -10.508 8 HD11 ILE 35 HD11 ILE 35 0.223 -17.321 -9.473 9 HD12 ILE 35 HD12 ILE 35 1.745 -16.824 -10.243 10 HD13 ILE 35 HD13 ILE 35 0.810 -15.645 -9.319 11 HG12 ILE 35 HG11 ILE 35 0.032 -16.926 -11.966 No H/Q in entry = 11 Start of MODEL 2 1 H GLU 36 H GLU 36 -0.193 -15.650 -13.749 2 HA GLU 36 HA GLU 36 -1.999 -17.187 -15.561 3 HB2 GLU 36 1HB GLU 36 0.284 -15.325 -16.221 4 HB3 GLU 36 2HB GLU 36 -0.563 -16.337 -17.410 5 HG2 GLU 36 1HG GLU 36 -2.648 -15.081 -16.983 6 HG3 GLU 36 2HG GLU 36 -1.827 -14.078 -15.775 No H/Q in entry = 6 Start of MODEL 2 1 H VAL 37 H VAL 37 -1.195 -18.747 -13.830 2 HA VAL 37 HA VAL 37 1.567 -19.684 -14.069 3 HB VAL 37 HB VAL 37 -0.801 -21.098 -12.832 4 HG13 VAL 37 HG11 VAL 37 1.106 -22.611 -13.304 5 HG11 VAL 37 HG12 VAL 37 2.209 -21.477 -12.508 6 HG12 VAL 37 HG13 VAL 37 0.972 -22.322 -11.567 7 HG23 VAL 37 HG21 VAL 37 0.286 -20.265 -10.653 8 HG21 VAL 37 HG22 VAL 37 1.193 -19.126 -11.658 9 HG22 VAL 37 HG23 VAL 37 -0.588 -19.069 -11.613 No H/Q in entry = 9 Start of MODEL 2 1 H ASP 38 H ASP 38 1.670 -19.835 -16.309 2 HA ASP 38 HA ASP 38 0.172 -21.925 -17.762 3 HB2 ASP 38 1HB ASP 38 2.498 -20.132 -18.556 4 HB3 ASP 38 2HB ASP 38 1.618 -21.231 -19.634 No H/Q in entry = 4 Start of MODEL 2 1 H LEU 39 H LEU 39 1.694 -23.494 -19.047 2 HA LEU 39 HA LEU 39 4.184 -24.204 -17.824 3 HB2 LEU 39 1HB LEU 39 3.473 -26.462 -17.039 4 HB3 LEU 39 2HB LEU 39 2.925 -25.146 -16.021 5 HG LEU 39 HG LEU 39 0.993 -25.963 -18.159 6 HD13 LEU 39 HD11 LEU 39 1.904 -28.121 -17.474 7 HD12 LEU 39 HD12 LEU 39 0.254 -27.923 -16.857 8 HD11 LEU 39 HD13 LEU 39 1.643 -27.711 -15.758 9 HD23 LEU 39 HD21 LEU 39 -0.538 -25.784 -16.114 10 HD22 LEU 39 HD22 LEU 39 0.278 -24.282 -16.525 11 HD21 LEU 39 HD23 LEU 39 0.855 -25.271 -15.167 No H/Q in entry = 11 Start of MODEL 2 1 H LEU 40 H LEU 40 5.277 -25.803 -18.819 2 HA LEU 40 HA LEU 40 4.296 -26.708 -21.480 3 HB2 LEU 40 1HB LEU 40 6.982 -25.408 -20.882 4 HB3 LEU 40 2HB LEU 40 6.374 -25.899 -22.469 5 HG LEU 40 HG LEU 40 5.225 -23.643 -20.748 6 HD12 LEU 40 HD11 LEU 40 6.259 -22.160 -22.430 7 HD11 LEU 40 HD12 LEU 40 7.013 -23.566 -23.207 8 HD13 LEU 40 HD13 LEU 40 7.466 -23.115 -21.550 9 HD22 LEU 40 HD21 LEU 40 3.900 -23.048 -22.681 10 HD21 LEU 40 HD22 LEU 40 3.566 -24.742 -22.327 11 HD23 LEU 40 HD23 LEU 40 4.644 -24.333 -23.663 No H/Q in entry = 11 Start of MODEL 2 1 H LYS 41 H LYS 41 5.501 -28.460 -22.349 2 HA LYS 41 HA LYS 41 7.730 -29.522 -20.762 3 HB2 LYS 41 1HB LYS 41 7.117 -31.831 -21.120 4 HB3 LYS 41 2HB LYS 41 6.023 -30.962 -20.026 5 HG2 LYS 41 1HG LYS 41 4.306 -30.860 -21.755 6 HG3 LYS 41 2HG LYS 41 5.374 -31.705 -22.897 7 HD2 LYS 41 1HD LYS 41 5.507 -33.663 -21.484 8 HD3 LYS 41 2HD LYS 41 4.575 -32.875 -20.206 9 HE2 LYS 41 1HE LYS 41 3.270 -34.523 -21.545 10 HE3 LYS 41 2HE LYS 41 2.556 -32.912 -21.523 11 HZ1 LYS 41 1HZ LYS 41 4.176 -34.036 -23.702 12 HZ3 LYS 41 2HZ LYS 41 3.529 -32.520 -23.678 13 HZ2 LYS 41 3HZ LYS 41 2.538 -33.834 -23.710 No H/Q in entry = 13 Start of MODEL 2 1 H ASN 42 H ASN 42 9.297 -28.953 -22.071 2 HA ASN 42 HA ASN 42 10.416 -28.335 -23.915 3 HB2 ASN 42 1HB ASN 42 10.685 -30.806 -23.891 4 HB3 ASN 42 2HB ASN 42 9.349 -30.962 -25.042 5 HD21 ASN 42 HD21 ASN 42 12.580 -29.461 -24.533 6 HD22 ASN 42 HD22 ASN 42 13.071 -29.518 -26.216 No H/Q in entry = 6 Start of MODEL 2 1 H GLY 43 H GLY 43 8.330 -26.815 -23.776 2 HA3 GLY 43 1HA GLY 43 7.364 -25.231 -25.119 3 HA2 GLY 43 2HA GLY 43 7.723 -26.177 -26.562 No H/Q in entry = 3 Start of MODEL 2 1 H GLU 44 H GLU 44 6.275 -28.593 -25.026 2 HA GLU 44 HA GLU 44 3.789 -28.090 -26.402 3 HB2 GLU 44 1HB GLU 44 4.527 -30.460 -24.661 4 HB3 GLU 44 2HB GLU 44 3.241 -30.360 -25.862 5 HG2 GLU 44 1HG GLU 44 6.245 -30.267 -26.398 6 HG3 GLU 44 2HG GLU 44 5.136 -31.584 -26.777 No H/Q in entry = 6 Start of MODEL 2 1 H ARG 45 H ARG 45 2.256 -26.875 -25.552 2 HA ARG 45 HA ARG 45 1.822 -26.336 -22.775 3 HB2 ARG 45 1HB ARG 45 -0.006 -26.100 -25.197 4 HB3 ARG 45 2HB ARG 45 -0.321 -25.382 -23.608 5 HG2 ARG 45 1HG ARG 45 1.584 -23.929 -23.759 6 HG3 ARG 45 2HG ARG 45 2.174 -24.709 -25.236 7 HD2 ARG 45 1HD ARG 45 -0.458 -23.207 -25.002 8 HD3 ARG 45 2HD ARG 45 1.047 -22.558 -25.689 9 HE ARG 45 HE ARG 45 0.567 -24.941 -27.054 10 HH12 ARG 45 HH11 ARG 45 -1.882 -21.925 -28.237 11 HH11 ARG 45 HH12 ARG 45 -1.109 -21.827 -26.675 12 HH21 ARG 45 HH21 ARG 45 -0.459 -25.043 -29.086 13 HH22 ARG 45 HH22 ARG 45 -1.514 -23.751 -29.608 No H/Q in entry = 13 Start of MODEL 2 1 H ILE 46 H ILE 46 0.909 -27.669 -21.281 2 HA ILE 46 HA ILE 46 -0.326 -30.191 -22.173 3 HB ILE 46 HB ILE 46 0.207 -29.299 -19.322 4 HG13 ILE 46 HG12 ILE 46 2.331 -29.148 -20.500 5 HG23 ILE 46 HG21 ILE 46 0.106 -31.738 -18.910 6 HG21 ILE 46 HG22 ILE 46 -1.366 -31.219 -19.720 7 HG22 ILE 46 HG23 ILE 46 -0.093 -32.042 -20.643 8 HD11 ILE 46 HD11 ILE 46 2.194 -30.315 -18.261 9 HD12 ILE 46 HD12 ILE 46 2.333 -31.853 -19.136 10 HD13 ILE 46 HD13 ILE 46 3.631 -30.646 -19.236 11 HG12 ILE 46 HG11 ILE 46 2.056 -30.716 -21.274 No H/Q in entry = 11 Start of MODEL 2 1 H GLU 47 H GLU 47 -2.450 -30.019 -22.705 2 HA GLU 47 HA GLU 47 -4.244 -28.115 -21.347 3 HB2 GLU 47 1HB GLU 47 -4.517 -30.017 -23.693 4 HB3 GLU 47 2HB GLU 47 -5.923 -29.244 -22.944 5 HG2 GLU 47 1HG GLU 47 -5.250 -27.947 -24.840 6 HG3 GLU 47 2HG GLU 47 -5.037 -27.018 -23.354 No H/Q in entry = 6 Start of MODEL 2 1 H LYS 48 H LYS 48 -3.403 -29.455 -19.351 2 HA LYS 48 HA LYS 48 -5.851 -30.558 -18.378 3 HB2 LYS 48 1HB LYS 48 -4.608 -32.625 -19.365 4 HB3 LYS 48 2HB LYS 48 -3.466 -32.416 -18.037 5 HG2 LYS 48 1HG LYS 48 -5.546 -32.475 -16.470 6 HG3 LYS 48 2HG LYS 48 -6.486 -32.847 -17.912 7 HD2 LYS 48 1HD LYS 48 -6.076 -34.913 -16.813 8 HD3 LYS 48 2HD LYS 48 -5.099 -34.891 -18.285 9 HE2 LYS 48 1HE LYS 48 -3.888 -35.845 -16.360 10 HE3 LYS 48 2HE LYS 48 -3.076 -34.399 -16.979 11 HZ1 LYS 48 1HZ LYS 48 -4.819 -34.518 -14.612 12 HZ3 LYS 48 2HZ LYS 48 -4.058 -33.166 -15.173 13 HZ2 LYS 48 3HZ LYS 48 -3.175 -34.432 -14.604 No H/Q in entry = 13 Start of MODEL 2 1 H VAL 49 H VAL 49 -4.887 -28.234 -17.804 2 HA VAL 49 HA VAL 49 -3.038 -28.245 -15.543 3 HB VAL 49 HB VAL 49 -4.773 -26.005 -16.653 4 HG12 VAL 49 HG11 VAL 49 -3.079 -24.542 -15.541 5 HG13 VAL 49 HG12 VAL 49 -4.030 -25.505 -14.408 6 HG11 VAL 49 HG13 VAL 49 -2.369 -25.987 -14.785 7 HG22 VAL 49 HG21 VAL 49 -3.376 -26.695 -18.457 8 HG23 VAL 49 HG22 VAL 49 -2.582 -25.285 -17.748 9 HG21 VAL 49 HG23 VAL 49 -1.974 -26.922 -17.399 No H/Q in entry = 9 Start of MODEL 2 1 H GLU 50 H GLU 50 -3.736 -28.562 -13.477 2 HA GLU 50 HA GLU 50 -6.661 -28.495 -12.855 3 HB2 GLU 50 1HB GLU 50 -4.370 -29.842 -11.391 4 HB3 GLU 50 2HB GLU 50 -6.090 -29.934 -10.980 5 HG2 GLU 50 1HG GLU 50 -6.539 -30.910 -13.262 6 HG3 GLU 50 2HG GLU 50 -4.793 -30.983 -13.538 No H/Q in entry = 6 Start of MODEL 2 1 H HIS 51 H HIS 51 -6.901 -27.987 -10.344 2 HA HIS 51 HA HIS 51 -5.181 -25.837 -9.361 3 HB2 HIS 51 1HB HIS 51 -6.987 -24.196 -9.216 4 HB3 HIS 51 2HB HIS 51 -6.604 -24.583 -10.892 5 HD1 HIS 51 HD1 HIS 51 -9.350 -24.724 -8.358 6 HD2 HIS 51 HD2 HIS 51 -8.620 -26.203 -12.212 7 HE1 HIS 51 HE1 HIS 51 -11.564 -25.553 -9.284 No H/Q in entry = 7 Start of MODEL 2 1 H SER 52 H SER 52 -5.987 -25.128 -7.173 2 HA SER 52 HA SER 52 -7.918 -26.965 -5.875 3 HB2 SER 52 1HB SER 52 -5.623 -27.898 -5.514 4 HB3 SER 52 2HB SER 52 -5.172 -26.381 -4.699 5 HG SER 52 HG SER 52 -5.872 -28.000 -3.245 No H/Q in entry = 5 Start of MODEL 2 1 H ASP 53 H ASP 53 -8.527 -24.519 -6.777 2 HA ASP 53 HA ASP 53 -9.657 -22.710 -6.211 3 HB2 ASP 53 1HB ASP 53 -10.703 -24.250 -4.608 4 HB3 ASP 53 2HB ASP 53 -9.538 -23.791 -3.366 No H/Q in entry = 4 Start of MODEL 2 1 H LEU 54 H LEU 54 -9.592 -20.564 -5.404 2 HA LEU 54 HA LEU 54 -6.951 -19.500 -4.764 3 HB2 LEU 54 1HB LEU 54 -8.665 -18.351 -6.235 4 HB3 LEU 54 2HB LEU 54 -9.670 -18.141 -4.804 5 HG LEU 54 HG LEU 54 -7.421 -17.062 -3.800 6 HD11 LEU 54 HD11 LEU 54 -7.115 -16.646 -6.814 7 HD13 LEU 54 HD12 LEU 54 -6.008 -17.563 -5.772 8 HD12 LEU 54 HD13 LEU 54 -6.183 -15.811 -5.559 9 HD22 LEU 54 HD21 LEU 54 -8.221 -14.850 -4.542 10 HD21 LEU 54 HD22 LEU 54 -9.580 -15.892 -4.083 11 HD23 LEU 54 HD23 LEU 54 -9.215 -15.619 -5.801 No H/Q in entry = 11 Start of MODEL 2 1 H SER 55 H SER 55 -6.668 -20.817 -2.848 2 HA SER 55 HA SER 55 -8.547 -20.517 -0.612 3 HB2 SER 55 1HB SER 55 -6.066 -22.242 -0.949 4 HB3 SER 55 2HB SER 55 -7.227 -22.315 0.398 5 HG SER 55 HG SER 55 -7.816 -22.763 -2.342 No H/Q in entry = 5 Start of MODEL 2 1 H PHE 56 H PHE 56 -8.162 -19.427 1.238 2 HA PHE 56 HA PHE 56 -5.924 -17.521 1.262 3 HB2 PHE 56 1HB PHE 56 -8.379 -17.782 3.033 4 HB3 PHE 56 2HB PHE 56 -7.244 -16.438 3.010 5 HD1 PHE 56 HD1 PHE 56 -10.078 -18.041 1.313 6 HD2 PHE 56 HD2 PHE 56 -7.140 -14.897 1.032 7 HE1 PHE 56 HE1 PHE 56 -11.270 -17.101 -0.645 8 HE2 PHE 56 HE2 PHE 56 -8.364 -13.939 -0.908 9 HZ PHE 56 HZ PHE 56 -10.403 -15.060 -1.769 No H/Q in entry = 9 Start of MODEL 2 1 H SER 57 H SER 57 -4.078 -18.051 2.322 2 HA SER 57 HA SER 57 -3.734 -20.207 4.136 3 HB2 SER 57 1HB SER 57 -2.147 -17.635 3.782 4 HB3 SER 57 2HB SER 57 -1.581 -19.063 4.672 5 HG SER 57 HG SER 57 -0.916 -18.864 2.412 No H/Q in entry = 5 Start of MODEL 2 1 H LYS 58 H LYS 58 -3.865 -16.688 4.759 2 HA LYS 58 HA LYS 58 -5.593 -16.979 7.062 3 HB2 LYS 58 1HB LYS 58 -4.073 -15.817 8.634 4 HB3 LYS 58 2HB LYS 58 -3.517 -17.434 8.205 5 HG2 LYS 58 1HG LYS 58 -1.903 -16.494 6.586 6 HG3 LYS 58 2HG LYS 58 -2.405 -14.852 7.004 7 HD2 LYS 58 1HD LYS 58 -1.192 -16.882 8.935 8 HD3 LYS 58 2HD LYS 58 -0.304 -15.600 8.097 9 HE2 LYS 58 1HE LYS 58 -1.781 -13.895 9.215 10 HE3 LYS 58 2HE LYS 58 -2.506 -15.207 10.169 11 HZ3 LYS 58 1HZ LYS 58 -0.766 -14.146 11.353 12 HZ2 LYS 58 2HZ LYS 58 0.324 -14.455 10.155 13 HZ1 LYS 58 3HZ LYS 58 -0.331 -15.700 11.016 No H/Q in entry = 13 Start of MODEL 2 1 H ASP 59 H ASP 59 -5.985 -15.948 4.568 2 HA ASP 59 HA ASP 59 -6.476 -14.176 3.285 3 HB2 ASP 59 1HB ASP 59 -7.078 -12.809 5.938 4 HB3 ASP 59 2HB ASP 59 -7.668 -12.325 4.341 No H/Q in entry = 4 Start of MODEL 2 1 H GLY 60 H GLY 60 -3.914 -14.507 3.329 2 HA3 GLY 60 1HA GLY 60 -2.768 -11.807 3.058 3 HA2 GLY 60 2HA GLY 60 -2.021 -12.866 4.268 No H/Q in entry = 3 Start of MODEL 2 1 H SER 61 H SER 61 -2.919 -15.152 2.152 2 HA SER 61 HA SER 61 -1.201 -14.618 -0.108 3 HB2 SER 61 1HB SER 61 0.196 -16.700 0.299 4 HB3 SER 61 2HB SER 61 0.600 -15.278 1.281 5 HG SER 61 HG SER 61 0.522 -17.174 2.513 No H/Q in entry = 5 Start of MODEL 2 1 H PHE 62 H PHE 62 -2.126 -15.507 -1.803 2 HA PHE 62 HA PHE 62 -4.396 -17.343 -1.463 3 HB2 PHE 62 1HB PHE 62 -3.307 -16.167 -4.031 4 HB3 PHE 62 2HB PHE 62 -4.909 -16.820 -3.707 5 HD1 PHE 62 HD1 PHE 62 -3.871 -14.047 -4.867 6 HD2 PHE 62 HD2 PHE 62 -5.460 -15.308 -1.057 7 HE1 PHE 62 HE1 PHE 62 -4.539 -11.715 -4.366 8 HE2 PHE 62 HE2 PHE 62 -6.078 -12.968 -0.550 9 HZ PHE 62 HZ PHE 62 -5.662 -11.175 -2.218 No H/Q in entry = 9 Start of MODEL 2 1 H TYR 63 H TYR 63 -3.603 -19.430 -1.070 2 HA TYR 63 HA TYR 63 -1.328 -20.372 -2.692 3 HB2 TYR 63 1HB TYR 63 -1.042 -22.089 -1.210 4 HB3 TYR 63 2HB TYR 63 -1.284 -20.626 -0.278 5 HD1 TYR 63 HD1 TYR 63 -3.420 -20.317 1.025 6 HD2 TYR 63 HD2 TYR 63 -2.568 -23.983 -1.062 7 HE1 TYR 63 HE1 TYR 63 -5.081 -21.510 2.434 8 HE2 TYR 63 HE2 TYR 63 -4.270 -25.158 0.300 9 HH TYR 63 HH TYR 63 -5.836 -24.980 1.987 No H/Q in entry = 9 Start of MODEL 2 1 H LEU 64 H LEU 64 -1.823 -21.101 -4.640 2 HA LEU 64 HA LEU 64 -4.065 -23.018 -5.050 3 HB2 LEU 64 1HB LEU 64 -2.401 -21.229 -6.757 4 HB3 LEU 64 2HB LEU 64 -3.147 -22.653 -7.482 5 HG LEU 64 HG LEU 64 -5.015 -21.164 -5.722 6 HD11 LEU 64 HD11 LEU 64 -3.856 -19.778 -8.133 7 HD13 LEU 64 HD12 LEU 64 -3.887 -19.292 -6.417 8 HD12 LEU 64 HD13 LEU 64 -5.398 -19.353 -7.350 9 HD22 LEU 64 HD21 LEU 64 -6.523 -21.530 -7.626 10 HD21 LEU 64 HD22 LEU 64 -5.680 -23.036 -7.214 11 HD23 LEU 64 HD23 LEU 64 -5.169 -22.088 -8.629 No H/Q in entry = 11 Start of MODEL 2 1 H LEU 65 H LEU 65 -3.496 -24.774 -6.644 2 HA LEU 65 HA LEU 65 -0.774 -25.889 -6.473 3 HB2 LEU 65 1HB LEU 65 -2.108 -26.891 -4.578 4 HB3 LEU 65 2HB LEU 65 -3.301 -27.426 -5.761 5 HG LEU 65 HG LEU 65 -1.391 -28.728 -6.898 6 HD12 LEU 65 HD11 LEU 65 0.488 -29.343 -5.414 7 HD11 LEU 65 HD12 LEU 65 -0.064 -28.179 -4.210 8 HD13 LEU 65 HD13 LEU 65 0.529 -27.614 -5.794 9 HD23 LEU 65 HD21 LEU 65 -2.221 -29.483 -4.065 10 HD22 LEU 65 HD22 LEU 65 -1.615 -30.601 -5.306 11 HD21 LEU 65 HD23 LEU 65 -3.172 -29.786 -5.534 No H/Q in entry = 11 Start of MODEL 2 1 H TYR 66 H TYR 66 -0.413 -25.613 -8.649 2 HA TYR 66 HA TYR 66 -2.527 -26.328 -10.606 3 HB2 TYR 66 1HB TYR 66 0.136 -24.902 -10.860 4 HB3 TYR 66 2HB TYR 66 -0.903 -25.321 -12.217 5 HD1 TYR 66 HD1 TYR 66 -0.544 -23.138 -9.238 6 HD2 TYR 66 HD2 TYR 66 -2.955 -24.105 -12.681 7 HE1 TYR 66 HE1 TYR 66 -1.670 -20.935 -9.076 8 HE2 TYR 66 HE2 TYR 66 -4.072 -21.902 -12.518 9 HH TYR 66 HH TYR 66 -4.160 -19.881 -11.427 No H/Q in entry = 9 Start of MODEL 2 1 H TYR 67 H TYR 67 -2.383 -28.602 -9.990 2 HA TYR 67 HA TYR 67 0.158 -29.907 -10.576 3 HB2 TYR 67 1HB TYR 67 -0.583 -31.781 -9.365 4 HB3 TYR 67 2HB TYR 67 -0.791 -30.320 -8.428 5 HD1 TYR 67 HD1 TYR 67 -3.220 -29.305 -8.348 6 HD2 TYR 67 HD2 TYR 67 -2.288 -33.383 -9.327 7 HE1 TYR 67 HE1 TYR 67 -5.561 -29.932 -7.894 8 HE2 TYR 67 HE2 TYR 67 -4.619 -34.031 -8.826 9 HH TYR 67 HH TYR 67 -7.110 -31.630 -7.877 No H/Q in entry = 9 Start of MODEL 2 1 H THR 68 H THR 68 0.283 -30.049 -12.829 2 HA THR 68 HA THR 68 -1.853 -31.386 -14.342 3 HB THR 68 HB THR 68 -0.420 -29.492 -15.206 4 HG1 THR 68 HG1 THR 68 -1.618 -30.836 -16.553 5 HG23 THR 68 HG21 THR 68 1.796 -30.055 -16.127 6 HG22 THR 68 HG22 THR 68 1.706 -31.687 -15.486 7 HG21 THR 68 HG23 THR 68 1.786 -30.295 -14.381 No H/Q in entry = 7 Start of MODEL 2 1 H GLU 69 H GLU 69 -0.715 -33.139 -15.978 2 HA GLU 69 HA GLU 69 0.895 -35.065 -14.369 3 HB2 GLU 69 1HB GLU 69 -1.484 -35.738 -14.371 4 HB3 GLU 69 2HB GLU 69 -1.428 -35.844 -16.142 5 HG2 GLU 69 1HG GLU 69 0.305 -37.577 -16.017 6 HG3 GLU 69 2HG GLU 69 0.421 -37.375 -14.261 No H/Q in entry = 6 Start of MODEL 2 1 H PHE 70 H PHE 70 2.786 -34.621 -15.336 2 HA PHE 70 HA PHE 70 3.079 -34.822 -18.264 3 HB2 PHE 70 1HB PHE 70 5.172 -33.894 -17.999 4 HB3 PHE 70 2HB PHE 70 4.130 -32.999 -16.903 5 HD1 PHE 70 HD1 PHE 70 7.153 -34.936 -17.238 6 HD2 PHE 70 HD2 PHE 70 4.189 -33.716 -14.371 7 HE1 PHE 70 HE1 PHE 70 8.744 -35.389 -15.404 8 HE2 PHE 70 HE2 PHE 70 5.724 -34.359 -12.525 9 HZ PHE 70 HZ PHE 70 7.984 -35.211 -13.038 No H/Q in entry = 9 Start of MODEL 2 1 H THR 71 H THR 71 4.581 -36.337 -19.217 2 HA THR 71 HA THR 71 5.163 -38.806 -17.711 3 HB THR 71 HB THR 71 5.738 -38.070 -20.597 4 HG1 THR 71 HG1 THR 71 3.894 -39.313 -20.976 5 HG21 THR 71 HG21 THR 71 5.724 -40.743 -19.110 6 HG23 THR 71 HG22 THR 71 7.168 -39.908 -19.721 7 HG22 THR 71 HG23 THR 71 5.963 -40.529 -20.857 No H/Q in entry = 7 Start of MODEL 2 1 HA PRO 72 HA PRO 72 9.354 -36.930 -17.178 2 HB2 PRO 72 1HB PRO 72 10.438 -38.688 -15.441 3 HB3 PRO 72 2HB PRO 72 9.117 -37.607 -14.939 4 HG2 PRO 72 1HG PRO 72 8.925 -40.496 -15.708 5 HG3 PRO 72 2HG PRO 72 8.131 -39.640 -14.358 6 HD2 PRO 72 1HD PRO 72 6.939 -40.154 -16.856 7 HD3 PRO 72 2HD PRO 72 6.419 -38.863 -15.731 No H/Q in entry = 7 Start of MODEL 2 1 H THR 73 H THR 73 9.274 -37.561 -19.555 2 HA THR 73 HA THR 73 10.090 -39.992 -20.636 3 HB THR 73 HB THR 73 10.738 -37.223 -21.730 4 HG1 THR 73 HG1 THR 73 8.632 -37.398 -22.637 5 HG22 THR 73 HG21 THR 73 10.038 -39.828 -23.148 6 HG21 THR 73 HG22 THR 73 11.661 -39.109 -23.061 7 HG23 THR 73 HG23 THR 73 10.364 -38.258 -23.913 No H/Q in entry = 7 Start of MODEL 2 1 H GLU 74 H GLU 74 11.992 -37.421 -19.151 2 HA GLU 74 HA GLU 74 14.093 -37.189 -18.538 3 HB2 GLU 74 1HB GLU 74 13.713 -39.537 -17.630 4 HB3 GLU 74 2HB GLU 74 14.566 -40.157 -19.054 5 HG2 GLU 74 1HG GLU 74 16.573 -38.830 -18.410 6 HG3 GLU 74 2HG GLU 74 15.683 -38.156 -17.035 No H/Q in entry = 6 Start of MODEL 2 1 H LYS 75 H LYS 75 13.805 -36.050 -20.570 2 HA LYS 75 HA LYS 75 15.996 -36.207 -22.423 3 HB2 LYS 75 1HB LYS 75 13.503 -37.708 -23.018 4 HB3 LYS 75 2HB LYS 75 13.778 -36.420 -24.187 5 HG2 LYS 75 1HG LYS 75 16.023 -37.222 -24.639 6 HG3 LYS 75 2HG LYS 75 15.799 -38.589 -23.525 7 HD2 LYS 75 1HD LYS 75 13.934 -39.448 -24.843 8 HD3 LYS 75 2HD LYS 75 13.951 -38.021 -25.891 9 HE2 LYS 75 1HE LYS 75 16.141 -40.134 -25.717 10 HE3 LYS 75 2HE LYS 75 14.971 -39.902 -27.032 11 HZ3 LYS 75 1HZ LYS 75 16.986 -38.900 -27.637 12 HZ2 LYS 75 2HZ LYS 75 17.093 -38.049 -26.231 13 HZ1 LYS 75 3HZ LYS 75 15.916 -37.684 -27.324 No H/Q in entry = 13 Start of MODEL 2 1 H ASP 76 H ASP 76 12.549 -35.429 -22.148 2 HA ASP 76 HA ASP 76 12.850 -32.647 -23.054 3 HB2 ASP 76 1HB ASP 76 10.469 -34.304 -22.106 4 HB3 ASP 76 2HB ASP 76 10.361 -32.679 -22.769 No H/Q in entry = 4 Start of MODEL 2 1 H GLU 77 H GLU 77 12.102 -30.883 -21.675 2 HA GLU 77 HA GLU 77 12.480 -31.401 -18.763 3 HB2 GLU 77 1HB GLU 77 13.510 -29.299 -18.508 4 HB3 GLU 77 2HB GLU 77 14.383 -30.226 -19.728 5 HG2 GLU 77 1HG GLU 77 12.408 -27.969 -20.328 6 HG3 GLU 77 2HG GLU 77 14.157 -27.804 -20.241 No H/Q in entry = 6 Start of MODEL 2 1 H TYR 78 H TYR 78 11.070 -30.684 -17.404 2 HA TYR 78 HA TYR 78 8.474 -29.727 -18.423 3 HB2 TYR 78 1HB TYR 78 9.132 -31.066 -15.792 4 HB3 TYR 78 2HB TYR 78 7.573 -30.958 -16.593 5 HD1 TYR 78 HD1 TYR 78 7.198 -32.290 -18.728 6 HD2 TYR 78 HD2 TYR 78 10.812 -32.685 -16.445 7 HE1 TYR 78 HE1 TYR 78 7.957 -34.136 -20.220 8 HE2 TYR 78 HE2 TYR 78 11.416 -34.703 -17.723 9 HH TYR 78 HH TYR 78 11.006 -35.910 -19.626 No H/Q in entry = 9 Start of MODEL 2 1 H ALA 79 H ALA 79 7.779 -27.650 -17.824 2 HA ALA 79 HA ALA 79 8.854 -26.411 -15.358 3 HB2 ALA 79 1HB ALA 79 9.612 -24.423 -16.663 4 HB1 ALA 79 2HB ALA 79 10.551 -25.880 -17.053 5 HB3 ALA 79 3HB ALA 79 9.290 -25.308 -18.169 No H/Q in entry = 5 Start of MODEL 2 1 H CYS 80 H CYS 80 7.375 -25.271 -14.342 2 HA CYS 80 HA CYS 80 4.932 -24.345 -15.663 3 HB2 CYS 80 1HB CYS 80 5.955 -24.246 -12.831 4 HB3 CYS 80 2HB CYS 80 4.564 -23.291 -13.357 No H/Q in entry = 4 Start of MODEL 2 1 H ARG 81 H ARG 81 4.778 -22.530 -16.697 2 HA ARG 81 HA ARG 81 6.937 -20.534 -16.746 3 HB2 ARG 81 1HB ARG 81 6.264 -21.467 -18.820 4 HB3 ARG 81 2HB ARG 81 4.556 -21.136 -18.523 5 HG2 ARG 81 1HG ARG 81 4.917 -18.739 -18.678 6 HG3 ARG 81 2HG ARG 81 6.668 -18.952 -18.641 7 HD2 ARG 81 1HD ARG 81 5.944 -18.504 -20.944 8 HD3 ARG 81 2HD ARG 81 6.601 -20.135 -20.806 9 HE ARG 81 HE ARG 81 4.587 -20.983 -21.451 10 HH12 ARG 81 HH11 ARG 81 2.314 -17.687 -20.780 11 HH11 ARG 81 HH12 ARG 81 3.964 -17.689 -20.216 12 HH21 ARG 81 HH21 ARG 81 2.450 -20.893 -22.233 13 HH22 ARG 81 HH22 ARG 81 1.463 -19.482 -21.932 No H/Q in entry = 13 Start of MODEL 2 1 H VAL 82 H VAL 82 6.545 -19.438 -14.765 2 HA VAL 82 HA VAL 82 3.792 -18.814 -13.984 3 HB VAL 82 HB VAL 82 6.415 -18.364 -12.518 4 HG12 VAL 82 HG11 VAL 82 4.941 -18.263 -10.532 5 HG13 VAL 82 HG12 VAL 82 4.545 -16.960 -11.667 6 HG11 VAL 82 HG13 VAL 82 3.513 -18.403 -11.577 7 HG22 VAL 82 HG21 VAL 82 6.050 -20.767 -12.959 8 HG23 VAL 82 HG22 VAL 82 5.756 -20.402 -11.258 9 HG21 VAL 82 HG23 VAL 82 4.388 -20.638 -12.364 No H/Q in entry = 9 Start of MODEL 2 1 H ASN 83 H ASN 83 3.137 -17.261 -15.474 2 HA ASN 83 HA ASN 83 4.480 -14.605 -15.427 3 HB2 ASN 83 1HB ASN 83 2.275 -15.853 -17.104 4 HB3 ASN 83 2HB ASN 83 2.476 -14.097 -17.002 5 HD21 ASN 83 HD21 ASN 83 4.747 -13.256 -17.429 6 HD22 ASN 83 HD22 ASN 83 5.603 -14.005 -18.759 No H/Q in entry = 6 Start of MODEL 2 1 H HIS 84 H HIS 84 3.351 -12.799 -14.720 2 HA HIS 84 HA HIS 84 0.840 -12.940 -13.286 3 HB2 HIS 84 1HB HIS 84 2.489 -13.931 -11.640 4 HB3 HIS 84 2HB HIS 84 3.460 -12.475 -11.778 5 HD2 HIS 84 HD2 HIS 84 -0.466 -12.372 -11.172 6 HE1 HIS 84 HE1 HIS 84 1.534 -10.958 -7.734 7 HE2 HIS 84 HE2 HIS 84 -0.767 -11.365 -8.785 No H/Q in entry = 7 Start of MODEL 2 1 H VAL 85 H VAL 85 0.407 -10.602 -12.407 2 HA VAL 85 HA VAL 85 1.064 -8.733 -14.425 3 HB VAL 85 HB VAL 85 -0.935 -8.671 -12.928 4 HG11 VAL 85 HG11 VAL 85 0.225 -8.943 -10.733 5 HG12 VAL 85 HG12 VAL 85 0.935 -7.322 -10.923 6 HG13 VAL 85 HG13 VAL 85 -0.821 -7.506 -10.802 7 HG23 VAL 85 HG21 VAL 85 0.660 -6.081 -13.113 8 HG21 VAL 85 HG22 VAL 85 -0.291 -6.810 -14.425 9 HG22 VAL 85 HG23 VAL 85 -1.100 -6.240 -12.955 No H/Q in entry = 9 Start of MODEL 2 1 H THR 86 H THR 86 2.669 -9.529 -11.358 2 HA THR 86 HA THR 86 4.567 -7.338 -11.492 3 HB THR 86 HB THR 86 5.682 -8.441 -9.667 4 HG1 THR 86 HG1 THR 86 3.856 -10.578 -10.041 5 HG23 THR 86 HG21 THR 86 3.903 -8.454 -8.013 6 HG22 THR 86 HG22 THR 86 2.663 -8.673 -9.256 7 HG21 THR 86 HG23 THR 86 3.588 -7.158 -9.188 No H/Q in entry = 7 Start of MODEL 2 1 H LEU 87 H LEU 87 4.689 -10.877 -12.179 2 HA LEU 87 HA LEU 87 7.334 -10.667 -13.429 3 HB2 LEU 87 1HB LEU 87 5.424 -13.017 -13.311 4 HB3 LEU 87 2HB LEU 87 7.113 -13.046 -13.812 5 HG LEU 87 HG LEU 87 6.095 -12.400 -11.005 6 HD13 LEU 87 HD11 LEU 87 5.840 -14.746 -11.570 7 HD12 LEU 87 HD12 LEU 87 7.215 -14.563 -10.461 8 HD11 LEU 87 HD13 LEU 87 7.505 -14.826 -12.189 9 HD22 LEU 87 HD21 LEU 87 8.157 -11.154 -11.370 10 HD21 LEU 87 HD22 LEU 87 8.927 -12.566 -12.128 11 HD23 LEU 87 HD23 LEU 87 8.533 -12.576 -10.395 No H/Q in entry = 11 Start of MODEL 2 1 H SER 88 H SER 88 6.747 -9.075 -15.001 2 HA SER 88 HA SER 88 5.062 -9.459 -17.228 3 HB2 SER 88 1HB SER 88 7.821 -8.157 -17.083 4 HB3 SER 88 2HB SER 88 6.616 -7.919 -18.365 5 HG SER 88 HG SER 88 6.262 -7.307 -15.612 No H/Q in entry = 5 Start of MODEL 2 1 H GLN 89 H GLN 89 8.185 -10.905 -16.370 2 HA GLN 89 HA GLN 89 8.661 -11.968 -19.030 3 HB2 GLN 89 1HB GLN 89 10.705 -12.875 -18.100 4 HB3 GLN 89 2HB GLN 89 10.525 -11.175 -17.651 5 HG2 GLN 89 1HG GLN 89 9.666 -11.925 -15.391 6 HG3 GLN 89 2HG GLN 89 10.000 -13.600 -15.863 7 HE21 GLN 89 HE21 GLN 89 12.333 -13.984 -16.708 8 HE22 GLN 89 HE22 GLN 89 13.597 -13.231 -15.759 No H/Q in entry = 8 Start of MODEL 2 1 HA PRO 90 HA PRO 90 6.806 -16.029 -18.059 2 HB2 PRO 90 1HB PRO 90 8.018 -17.554 -19.971 3 HB3 PRO 90 2HB PRO 90 6.752 -16.347 -20.352 4 HG2 PRO 90 1HG PRO 90 9.751 -16.009 -20.571 5 HG3 PRO 90 2HG PRO 90 8.502 -15.607 -21.784 6 HD2 PRO 90 1HD PRO 90 9.556 -13.752 -20.085 7 HD3 PRO 90 2HD PRO 90 7.841 -13.683 -20.593 No H/Q in entry = 7 Start of MODEL 2 1 H LYS 91 H LYS 91 7.612 -16.499 -16.022 2 HA LYS 91 HA LYS 91 10.459 -16.966 -15.607 3 HB2 LYS 91 1HB LYS 91 8.989 -15.792 -13.960 4 HB3 LYS 91 2HB LYS 91 8.101 -17.288 -13.724 5 HG2 LYS 91 1HG LYS 91 9.656 -17.078 -11.920 6 HG3 LYS 91 2HG LYS 91 10.176 -18.414 -12.934 7 HD2 LYS 91 1HD LYS 91 12.079 -17.089 -12.183 8 HD3 LYS 91 2HD LYS 91 11.952 -17.038 -13.937 9 HE2 LYS 91 1HE LYS 91 12.533 -14.842 -12.987 10 HE3 LYS 91 2HE LYS 91 10.977 -14.760 -13.818 11 HZ1 LYS 91 1HZ LYS 91 11.344 -15.067 -10.919 12 HZ3 LYS 91 2HZ LYS 91 9.900 -14.909 -11.701 13 HZ2 LYS 91 3HZ LYS 91 10.971 -13.657 -11.690 No H/Q in entry = 13 Start of MODEL 2 1 H ILE 92 H ILE 92 11.033 -18.781 -16.774 2 HA ILE 92 HA ILE 92 9.510 -21.245 -16.798 3 HB ILE 92 HB ILE 92 12.403 -20.727 -17.600 4 HG13 ILE 92 HG12 ILE 92 11.594 -20.522 -19.911 5 HG23 ILE 92 HG21 ILE 92 11.883 -23.119 -17.360 6 HG21 ILE 92 HG22 ILE 92 10.467 -22.937 -18.406 7 HG22 ILE 92 HG23 ILE 92 12.098 -22.693 -19.059 8 HD13 ILE 92 HD11 ILE 92 9.305 -19.885 -20.400 9 HD11 ILE 92 HD12 ILE 92 9.292 -21.504 -19.687 10 HD12 ILE 92 HD13 ILE 92 8.824 -20.093 -18.711 11 HG12 ILE 92 HG11 ILE 92 11.111 -19.183 -18.882 No H/Q in entry = 11 Start of MODEL 2 1 H VAL 93 H VAL 93 9.205 -21.846 -14.607 2 HA VAL 93 HA VAL 93 11.457 -22.034 -12.799 3 HB VAL 93 HB VAL 93 8.699 -23.285 -12.476 4 HG12 VAL 93 HG11 VAL 93 9.346 -23.029 -10.043 5 HG13 VAL 93 HG12 VAL 93 10.369 -24.183 -10.914 6 HG11 VAL 93 HG13 VAL 93 10.966 -22.546 -10.559 7 HG23 VAL 93 HG21 VAL 93 8.185 -21.273 -11.135 8 HG21 VAL 93 HG22 VAL 93 9.722 -20.536 -11.656 9 HG22 VAL 93 HG23 VAL 93 8.436 -20.873 -12.831 No H/Q in entry = 9 Start of MODEL 2 1 H LYS 94 H LYS 94 12.844 -23.675 -12.615 2 HA LYS 94 HA LYS 94 12.558 -26.019 -14.384 3 HB2 LYS 94 1HB LYS 94 14.869 -25.005 -12.696 4 HB3 LYS 94 2HB LYS 94 14.918 -26.384 -13.814 5 HG2 LYS 94 1HG LYS 94 14.182 -24.792 -15.659 6 HG3 LYS 94 2HG LYS 94 14.428 -23.455 -14.525 7 HD2 LYS 94 1HD LYS 94 16.536 -25.430 -15.499 8 HD3 LYS 94 2HD LYS 94 16.355 -23.739 -15.995 9 HE2 LYS 94 1HE LYS 94 16.792 -23.026 -13.631 10 HE3 LYS 94 2HE LYS 94 17.084 -24.724 -13.199 11 HZ2 LYS 94 1HZ LYS 94 18.609 -23.182 -15.163 12 HZ1 LYS 94 2HZ LYS 94 18.859 -24.766 -14.775 13 HZ3 LYS 94 3HZ LYS 94 19.101 -23.592 -13.642 No H/Q in entry = 13 Start of MODEL 2 1 H TRP 95 H TRP 95 11.162 -27.429 -13.447 2 HA TRP 95 HA TRP 95 10.800 -28.221 -10.826 3 HB2 TRP 95 1HB TRP 95 9.390 -29.086 -12.561 4 HB3 TRP 95 2HB TRP 95 10.760 -29.743 -13.430 5 HD1 TRP 95 HD1 TRP 95 9.521 -30.412 -9.795 6 HE1 TRP 95 HE1 TRP 95 9.519 -32.954 -9.407 7 HE3 TRP 95 HE3 TRP 95 11.074 -31.905 -14.391 8 HZ2 TRP 95 HZ2 TRP 95 10.072 -35.354 -10.949 9 HZ3 TRP 95 HZ3 TRP 95 11.394 -34.338 -14.902 10 HH2 TRP 95 HH2 TRP 95 10.825 -36.043 -13.217 No H/Q in entry = 10 Start of MODEL 2 1 H ASP 96 H ASP 96 12.269 -28.762 -9.367 2 HA ASP 96 HA ASP 96 14.740 -30.219 -10.005 3 HB2 ASP 96 1HB ASP 96 15.150 -30.019 -7.578 4 HB3 ASP 96 2HB ASP 96 14.930 -28.475 -8.404 No H/Q in entry = 4 Start of MODEL 2 1 H ARG 97 H ARG 97 14.278 -32.275 -10.642 2 HA ARG 97 HA ARG 97 12.275 -33.927 -9.431 3 HB2 ARG 97 1HB ARG 97 12.975 -35.621 -10.810 4 HB3 ARG 97 2HB ARG 97 13.280 -34.166 -11.761 5 HG2 ARG 97 1HG ARG 97 15.356 -35.826 -10.245 6 HG3 ARG 97 2HG ARG 97 15.039 -35.862 -11.977 7 HD2 ARG 97 1HD ARG 97 15.754 -33.505 -12.185 8 HD3 ARG 97 2HD ARG 97 16.114 -33.467 -10.443 9 HE ARG 97 HE ARG 97 17.435 -35.681 -11.657 10 HH12 ARG 97 HH11 ARG 97 19.389 -32.121 -11.612 11 HH11 ARG 97 HH12 ARG 97 17.654 -32.143 -11.406 12 HH21 ARG 97 HH21 ARG 97 19.692 -35.628 -11.917 13 HH22 ARG 97 HH22 ARG 97 20.551 -34.105 -11.903 No H/Q in entry = 13 Start of MODEL 2 1 H ASP 98 H ASP 98 15.383 -32.948 -8.330 2 HA ASP 98 HA ASP 98 15.919 -35.281 -6.644 3 HB2 ASP 98 1HB ASP 98 17.228 -32.535 -6.788 4 HB3 ASP 98 2HB ASP 98 17.842 -33.945 -5.909 No H/Q in entry = 4 Start of MODEL 2 1 H MET 99 H MET 99 13.607 -34.942 -5.912 2 HA MET 99 HA MET 99 12.176 -34.667 -4.245 3 HB2 MET 99 1HB MET 99 14.128 -35.263 -2.811 4 HB3 MET 99 2HB MET 99 14.471 -33.547 -2.573 5 HG2 MET 99 1HG MET 99 13.254 -34.384 -0.688 6 HG3 MET 99 2HG MET 99 12.216 -33.255 -1.555 7 HE3 MET 99 1HE MET 99 11.342 -35.426 0.739 8 HE1 MET 99 2HE MET 99 10.303 -34.169 0.023 9 HE2 MET 99 3HE MET 99 9.757 -35.864 0.062 No H/Q in entry = 9 Start of MODEL 3 1 H1 MET 0 2H MET 0 1.343 -1.583 -3.907 2 H2 MET 0 3H MET 0 0.180 -2.669 -3.475 3 H3 MET 0 1H MET 0 -0.218 -1.086 -3.717 4 HA MET 0 HA MET 0 1.114 -0.400 -1.896 5 HB2 MET 0 1HB MET 0 -1.253 -0.817 -1.545 6 HB3 MET 0 2HB MET 0 -0.959 -2.526 -1.209 7 HG2 MET 0 1HG MET 0 0.365 -1.895 0.798 8 HG3 MET 0 2HG MET 0 0.107 -0.183 0.422 9 HE2 MET 0 1HE MET 0 -2.009 -0.750 3.669 10 HE3 MET 0 2HE MET 0 -0.551 -1.690 3.279 11 HE1 MET 0 3HE MET 0 -0.603 0.057 2.937 No H/Q in entry = 11 Start of MODEL 3 1 H ILE 1 H ILE 1 0.594 -3.905 -1.328 2 HA ILE 1 HA ILE 1 3.489 -4.221 -0.687 3 HB ILE 1 HB ILE 1 2.220 -4.328 1.323 4 HG13 ILE 1 HG12 ILE 1 4.199 -5.740 0.971 5 HG22 ILE 1 HG21 ILE 1 0.652 -6.739 0.345 6 HG23 ILE 1 HG22 ILE 1 0.478 -5.827 1.849 7 HG21 ILE 1 HG23 ILE 1 -0.007 -5.089 0.328 8 HD11 ILE 1 HD11 ILE 1 2.999 -5.844 3.179 9 HD12 ILE 1 HD12 ILE 1 2.134 -7.287 2.592 10 HD13 ILE 1 HD13 ILE 1 3.895 -7.321 2.765 11 HG12 ILE 1 HG11 ILE 1 3.184 -7.068 0.394 No H/Q in entry = 11 Start of MODEL 3 1 H GLN 2 H GLN 2 4.150 -4.802 -2.655 2 HA GLN 2 HA GLN 2 2.532 -6.545 -4.331 3 HB2 GLN 2 1HB GLN 2 3.561 -4.386 -5.073 4 HB3 GLN 2 2HB GLN 2 5.161 -5.096 -4.855 5 HG2 GLN 2 1HG GLN 2 4.611 -5.211 -7.185 6 HG3 GLN 2 2HG GLN 2 4.539 -6.853 -6.548 7 HE21 GLN 2 HE21 GLN 2 2.625 -4.067 -7.694 8 HE22 GLN 2 HE22 GLN 2 1.150 -4.964 -7.985 No H/Q in entry = 8 Start of MODEL 3 1 H ARG 3 H ARG 3 2.781 -8.497 -3.009 2 HA ARG 3 HA ARG 3 5.392 -9.788 -2.869 3 HB2 ARG 3 1HB ARG 3 2.634 -10.929 -2.269 4 HB3 ARG 3 2HB ARG 3 4.209 -11.649 -1.884 5 HG2 ARG 3 1HG ARG 3 4.699 -9.458 -0.594 6 HG3 ARG 3 2HG ARG 3 2.958 -9.144 -0.710 7 HD2 ARG 3 1HD ARG 3 4.265 -11.603 0.544 8 HD3 ARG 3 2HD ARG 3 3.644 -10.195 1.423 9 HE ARG 3 HE ARG 3 1.602 -11.342 -0.255 10 HH12 ARG 3 HH11 ARG 3 2.017 -12.741 3.544 11 HH11 ARG 3 HH12 ARG 3 3.323 -11.832 2.823 12 HH21 ARG 3 HH21 ARG 3 -0.104 -12.529 0.738 13 HH22 ARG 3 HH22 ARG 3 0.089 -13.159 2.359 No H/Q in entry = 13 Start of MODEL 3 1 H THR 4 H THR 4 6.165 -11.419 -4.107 2 HA THR 4 HA THR 4 4.970 -11.839 -6.756 3 HB THR 4 HB THR 4 7.245 -12.862 -7.194 4 HG1 THR 4 HG1 THR 4 7.809 -11.915 -4.591 5 HG21 THR 4 HG21 THR 4 6.784 -10.462 -7.655 6 HG23 THR 4 HG22 THR 4 8.467 -10.770 -7.191 7 HG22 THR 4 HG23 THR 4 7.344 -10.053 -6.019 No H/Q in entry = 7 Start of MODEL 3 1 HA PRO 5 HA PRO 5 3.852 -16.149 -5.939 2 HB2 PRO 5 1HB PRO 5 4.651 -17.373 -8.304 3 HB3 PRO 5 2HB PRO 5 3.146 -16.446 -8.120 4 HG2 PRO 5 1HG PRO 5 5.798 -15.541 -9.232 5 HG3 PRO 5 2HG PRO 5 4.164 -15.232 -9.892 6 HD2 PRO 5 1HD PRO 5 5.482 -13.364 -8.456 7 HD3 PRO 5 2HD PRO 5 3.727 -13.579 -8.240 No H/Q in entry = 7 Start of MODEL 3 1 H LYS 6 H LYS 6 4.931 -17.639 -4.761 2 HA LYS 6 HA LYS 6 7.874 -17.780 -4.845 3 HB2 LYS 6 1HB LYS 6 5.814 -19.084 -3.040 4 HB3 LYS 6 2HB LYS 6 7.571 -19.242 -2.879 5 HG2 LYS 6 1HG LYS 6 7.765 -16.774 -2.597 6 HG3 LYS 6 2HG LYS 6 5.997 -16.628 -2.679 7 HD2 LYS 6 1HD LYS 6 5.773 -18.091 -0.695 8 HD3 LYS 6 2HD LYS 6 7.538 -18.277 -0.626 9 HE2 LYS 6 1HE LYS 6 7.765 -15.810 -0.299 10 HE3 LYS 6 2HE LYS 6 5.995 -15.665 -0.299 11 HZ2 LYS 6 1HZ LYS 6 7.605 -17.210 1.611 12 HZ1 LYS 6 2HZ LYS 6 5.959 -17.114 1.611 13 HZ3 LYS 6 3HZ LYS 6 6.865 -15.767 1.905 No H/Q in entry = 13 Start of MODEL 3 1 H ILE 7 H ILE 7 9.001 -19.488 -5.626 2 HA ILE 7 HA ILE 7 7.578 -21.332 -7.417 3 HB ILE 7 HB ILE 7 10.505 -20.598 -7.048 4 HG13 ILE 7 HG12 ILE 7 8.847 -18.846 -8.000 5 HG22 ILE 7 HG21 ILE 7 9.157 -22.302 -9.178 6 HG23 ILE 7 HG22 ILE 7 10.870 -21.828 -9.179 7 HG21 ILE 7 HG23 ILE 7 10.265 -22.921 -7.941 8 HD13 ILE 7 HD11 ILE 7 10.268 -18.149 -9.805 9 HD11 ILE 7 HD12 ILE 7 11.262 -18.705 -8.445 10 HD12 ILE 7 HD13 ILE 7 11.060 -19.730 -9.883 11 HG12 ILE 7 HG11 ILE 7 8.623 -19.943 -9.362 No H/Q in entry = 11 Start of MODEL 3 1 H GLN 8 H GLN 8 7.017 -23.306 -6.687 2 HA GLN 8 HA GLN 8 8.867 -24.907 -5.007 3 HB2 GLN 8 1HB GLN 8 5.964 -24.325 -4.310 4 HB3 GLN 8 2HB GLN 8 6.978 -25.543 -3.526 5 HG2 GLN 8 1HG GLN 8 8.479 -23.825 -2.669 6 HG3 GLN 8 2HG GLN 8 7.583 -22.552 -3.515 7 HE21 GLN 8 HE21 GLN 8 5.545 -21.863 -2.803 8 HE22 GLN 8 HE22 GLN 8 4.943 -22.277 -1.214 No H/Q in entry = 8 Start of MODEL 3 1 H VAL 9 H VAL 9 9.081 -25.743 -7.241 2 HA VAL 9 HA VAL 9 6.820 -27.333 -8.292 3 HB VAL 9 HB VAL 9 9.463 -26.540 -9.475 4 HG12 VAL 9 HG11 VAL 9 8.230 -27.138 -11.648 5 HG13 VAL 9 HG12 VAL 9 8.714 -28.493 -10.630 6 HG11 VAL 9 HG13 VAL 9 7.038 -27.961 -10.612 7 HG21 VAL 9 HG21 VAL 9 6.671 -25.347 -9.675 8 HG22 VAL 9 HG22 VAL 9 8.156 -24.546 -9.140 9 HG23 VAL 9 HG23 VAL 9 7.950 -24.989 -10.844 No H/Q in entry = 9 Start of MODEL 3 1 H TYR 10 H TYR 10 6.954 -29.073 -6.858 2 HA TYR 10 HA TYR 10 9.376 -30.807 -6.936 3 HB2 TYR 10 1HB TYR 10 8.683 -31.639 -4.834 4 HB3 TYR 10 2HB TYR 10 8.840 -29.894 -4.844 5 HD1 TYR 10 HD1 TYR 10 6.881 -28.427 -4.561 6 HD2 TYR 10 HD2 TYR 10 6.541 -32.720 -4.400 7 HE1 TYR 10 HE1 TYR 10 4.649 -28.211 -3.510 8 HE2 TYR 10 HE2 TYR 10 4.328 -32.504 -3.314 9 HH TYR 10 HH TYR 10 2.785 -29.321 -2.732 No H/Q in entry = 9 Start of MODEL 3 1 H SER 11 H SER 11 9.001 -33.145 -6.564 2 HA SER 11 HA SER 11 7.036 -34.291 -8.440 3 HB2 SER 11 1HB SER 11 9.257 -35.684 -6.882 4 HB3 SER 11 2HB SER 11 8.372 -36.276 -8.297 5 HG SER 11 HG SER 11 10.429 -35.397 -8.802 No H/Q in entry = 5 Start of MODEL 3 1 H ARG 12 H ARG 12 5.088 -35.020 -7.651 2 HA ARG 12 HA ARG 12 4.593 -35.537 -4.840 3 HB2 ARG 12 1HB ARG 12 2.773 -34.836 -6.274 4 HB3 ARG 12 2HB ARG 12 3.067 -36.176 -7.381 5 HG2 ARG 12 1HG ARG 12 1.134 -36.716 -6.119 6 HG3 ARG 12 2HG ARG 12 2.412 -37.789 -5.581 7 HD2 ARG 12 1HD ARG 12 1.251 -37.108 -3.624 8 HD3 ARG 12 2HD ARG 12 2.801 -36.277 -3.596 9 HE ARG 12 HE ARG 12 1.706 -34.278 -3.646 10 HH12 ARG 12 HH11 ARG 12 -1.913 -35.626 -4.912 11 HH11 ARG 12 HH12 ARG 12 -0.562 -36.731 -4.886 12 HH21 ARG 12 HH21 ARG 12 -0.103 -32.879 -3.649 13 HH22 ARG 12 HH22 ARG 12 -1.654 -33.449 -4.213 No H/Q in entry = 13 Start of MODEL 3 1 H HIS 13 H HIS 13 4.522 -37.697 -7.705 2 HA HIS 13 HA HIS 13 5.163 -40.068 -6.092 3 HB2 HIS 13 1HB HIS 13 4.474 -39.582 -9.000 4 HB3 HIS 13 2HB HIS 13 4.798 -41.191 -8.342 5 HD1 HIS 13 HD1 HIS 13 2.910 -42.323 -7.002 6 HD2 HIS 13 HD2 HIS 13 2.016 -38.407 -8.192 7 HE1 HIS 13 HE1 HIS 13 0.432 -41.949 -6.576 No H/Q in entry = 7 Start of MODEL 3 1 HA PRO 14 HA PRO 14 9.478 -39.866 -7.189 2 HB2 PRO 14 1HB PRO 14 10.244 -42.497 -7.224 3 HB3 PRO 14 2HB PRO 14 9.831 -41.601 -5.737 4 HG2 PRO 14 1HG PRO 14 8.024 -43.427 -7.344 5 HG3 PRO 14 2HG PRO 14 8.305 -43.434 -5.579 6 HD2 PRO 14 1HD PRO 14 6.154 -42.185 -6.662 7 HD3 PRO 14 2HD PRO 14 7.027 -41.452 -5.285 No H/Q in entry = 7 Start of MODEL 3 1 H ALA 15 H ALA 15 9.922 -39.131 -9.176 2 HA ALA 15 HA ALA 15 8.989 -40.443 -11.624 3 HB3 ALA 15 1HB ALA 15 10.576 -37.907 -11.081 4 HB2 ALA 15 2HB ALA 15 9.997 -38.434 -12.673 5 HB1 ALA 15 3HB ALA 15 8.830 -38.028 -11.397 No H/Q in entry = 5 Start of MODEL 3 1 H GLU 16 H GLU 16 10.272 -42.434 -11.070 2 HA GLU 16 HA GLU 16 13.178 -42.235 -11.428 3 HB2 GLU 16 1HB GLU 16 11.949 -43.686 -9.712 4 HB3 GLU 16 2HB GLU 16 11.473 -44.725 -11.054 5 HG2 GLU 16 1HG GLU 16 13.437 -45.644 -9.976 6 HG3 GLU 16 2HG GLU 16 13.940 -45.067 -11.563 No H/Q in entry = 6 Start of MODEL 3 1 H ASN 17 H ASN 17 12.079 -41.263 -13.649 2 HA ASN 17 HA ASN 17 12.055 -41.297 -15.852 3 HB2 ASN 17 1HB ASN 17 14.339 -42.195 -15.483 4 HB3 ASN 17 2HB ASN 17 13.727 -43.834 -15.737 5 HD21 ASN 17 HD21 ASN 17 12.786 -44.353 -17.876 6 HD22 ASN 17 HD22 ASN 17 13.255 -43.413 -19.280 No H/Q in entry = 6 Start of MODEL 3 1 H GLY 18 H GLY 18 10.120 -41.543 -16.753 2 HA3 GLY 18 1HA GLY 18 8.457 -42.637 -17.955 3 HA2 GLY 18 2HA GLY 18 9.003 -44.209 -17.350 No H/Q in entry = 3 Start of MODEL 3 1 H LYS 19 H LYS 19 6.461 -44.111 -17.191 2 HA LYS 19 HA LYS 19 4.699 -44.466 -15.919 3 HB2 LYS 19 1HB LYS 19 6.439 -45.424 -14.431 4 HB3 LYS 19 2HB LYS 19 6.481 -43.902 -13.534 5 HG2 LYS 19 1HG LYS 19 4.079 -44.193 -12.945 6 HG3 LYS 19 2HG LYS 19 4.058 -45.732 -13.827 7 HD2 LYS 19 1HD LYS 19 5.813 -45.051 -11.416 8 HD3 LYS 19 2HD LYS 19 4.290 -45.952 -11.356 9 HE2 LYS 19 1HE LYS 19 5.282 -47.708 -12.831 10 HE3 LYS 19 2HE LYS 19 6.837 -46.852 -12.780 11 HZ2 LYS 19 1HZ LYS 19 6.726 -48.599 -11.188 12 HZ1 LYS 19 2HZ LYS 19 5.422 -47.911 -10.449 13 HZ3 LYS 19 3HZ LYS 19 6.880 -47.139 -10.439 No H/Q in entry = 13 Start of MODEL 3 1 H SER 20 H SER 20 2.953 -43.407 -14.724 2 HA SER 20 HA SER 20 2.816 -40.573 -15.215 3 HB2 SER 20 1HB SER 20 0.602 -40.796 -14.092 4 HB3 SER 20 2HB SER 20 0.845 -41.938 -15.427 5 HG SER 20 HG SER 20 -0.038 -42.928 -13.565 No H/Q in entry = 5 Start of MODEL 3 1 H ASN 21 H ASN 21 3.223 -38.906 -13.884 2 HA ASN 21 HA ASN 21 3.491 -39.248 -10.958 3 HB2 ASN 21 1HB ASN 21 5.530 -37.880 -12.766 4 HB3 ASN 21 2HB ASN 21 5.624 -37.970 -11.001 5 HD21 ASN 21 HD21 ASN 21 5.896 -40.246 -10.071 6 HD22 ASN 21 HD22 ASN 21 6.818 -41.393 -11.013 No H/Q in entry = 6 Start of MODEL 3 1 H PHE 22 H PHE 22 2.904 -37.277 -9.858 2 HA PHE 22 HA PHE 22 1.706 -35.205 -11.597 3 HB2 PHE 22 1HB PHE 22 1.239 -36.012 -8.764 4 HB3 PHE 22 2HB PHE 22 0.736 -34.442 -9.380 5 HD1 PHE 22 HD1 PHE 22 0.282 -38.122 -9.837 6 HD2 PHE 22 HD2 PHE 22 -1.040 -34.188 -11.004 7 HE1 PHE 22 HE1 PHE 22 -1.682 -39.112 -10.971 8 HE2 PHE 22 HE2 PHE 22 -3.018 -35.182 -12.109 9 HZ PHE 22 HZ PHE 22 -3.339 -37.647 -12.102 No H/Q in entry = 9 Start of MODEL 3 1 H LEU 23 H LEU 23 2.556 -33.301 -11.930 2 HA LEU 23 HA LEU 23 5.038 -32.465 -10.619 3 HB2 LEU 23 1HB LEU 23 4.799 -32.369 -13.080 4 HB3 LEU 23 2HB LEU 23 3.378 -31.347 -12.916 5 HG LEU 23 HG LEU 23 4.832 -29.564 -11.915 6 HD13 LEU 23 HD11 LEU 23 6.647 -30.924 -10.966 7 HD12 LEU 23 HD12 LEU 23 7.298 -29.824 -12.184 8 HD11 LEU 23 HD13 LEU 23 7.068 -31.535 -12.586 9 HD21 LEU 23 HD21 LEU 23 5.659 -30.677 -14.626 10 HD23 LEU 23 HD22 LEU 23 6.006 -29.029 -14.057 11 HD22 LEU 23 HD23 LEU 23 4.329 -29.546 -14.304 No H/Q in entry = 11 Start of MODEL 3 1 H ASN 24 H ASN 24 4.701 -31.472 -8.624 2 HA ASN 24 HA ASN 24 2.167 -30.019 -8.160 3 HB2 ASN 24 1HB ASN 24 4.387 -31.084 -6.398 4 HB3 ASN 24 2HB ASN 24 3.118 -29.995 -5.810 5 HD21 ASN 24 HD21 ASN 24 2.249 -31.537 -4.382 6 HD22 ASN 24 HD22 ASN 24 1.310 -32.893 -4.976 No H/Q in entry = 6 Start of MODEL 3 1 H CYS 25 H CYS 25 2.660 -28.238 -9.555 2 HA CYS 25 HA CYS 25 4.724 -26.320 -8.656 3 HB2 CYS 25 1HB CYS 25 2.605 -26.202 -10.808 4 HB3 CYS 25 2HB CYS 25 3.693 -24.862 -10.400 No H/Q in entry = 4 Start of MODEL 3 1 H TYR 26 H TYR 26 4.166 -26.026 -6.518 2 HA TYR 26 HA TYR 26 1.447 -25.174 -5.779 3 HB2 TYR 26 1HB TYR 26 2.603 -26.917 -4.527 4 HB3 TYR 26 2HB TYR 26 3.915 -25.815 -4.142 5 HD1 TYR 26 HD1 TYR 26 3.746 -24.360 -2.245 6 HD2 TYR 26 HD2 TYR 26 0.255 -26.440 -3.657 7 HE1 TYR 26 HE1 TYR 26 2.493 -23.601 -0.248 8 HE2 TYR 26 HE2 TYR 26 -0.972 -25.770 -1.613 9 HH TYR 26 HH TYR 26 0.520 -23.723 0.928 No H/Q in entry = 9 Start of MODEL 3 1 H VAL 27 H VAL 27 1.368 -23.069 -6.757 2 HA VAL 27 HA VAL 27 3.623 -21.246 -6.250 3 HB VAL 27 HB VAL 27 1.232 -20.910 -8.089 4 HG12 VAL 27 HG11 VAL 27 2.742 -19.227 -9.133 5 HG13 VAL 27 HG12 VAL 27 2.347 -18.785 -7.463 6 HG11 VAL 27 HG13 VAL 27 3.928 -19.505 -7.846 7 HG22 VAL 27 HG21 VAL 27 2.542 -22.851 -8.822 8 HG23 VAL 27 HG22 VAL 27 2.908 -21.480 -9.872 9 HG21 VAL 27 HG23 VAL 27 4.057 -21.950 -8.602 No H/Q in entry = 9 Start of MODEL 3 1 H SER 28 H SER 28 3.463 -20.377 -4.240 2 HA SER 28 HA SER 28 0.848 -19.463 -3.237 3 HB2 SER 28 1HB SER 28 1.885 -19.634 -1.057 4 HB3 SER 28 2HB SER 28 2.076 -21.135 -1.986 5 HG SER 28 HG SER 28 4.027 -19.095 -1.751 No H/Q in entry = 5 Start of MODEL 3 1 H GLY 29 H GLY 29 0.416 -17.475 -2.445 2 HA3 GLY 29 1HA GLY 29 0.635 -15.388 -1.629 3 HA2 GLY 29 2HA GLY 29 2.355 -15.723 -1.422 No H/Q in entry = 3 Start of MODEL 3 1 H PHE 30 H PHE 30 0.583 -15.583 -4.547 2 HA PHE 30 HA PHE 30 2.188 -13.254 -5.395 3 HB2 PHE 30 1HB PHE 30 1.151 -13.601 -7.560 4 HB3 PHE 30 2HB PHE 30 2.053 -14.964 -6.938 5 HD1 PHE 30 HD1 PHE 30 0.977 -17.086 -6.376 6 HD2 PHE 30 HD2 PHE 30 -1.304 -13.739 -7.859 7 HE1 PHE 30 HE1 PHE 30 -0.971 -18.572 -6.781 8 HE2 PHE 30 HE2 PHE 30 -3.313 -15.203 -8.030 9 HZ PHE 30 HZ PHE 30 -3.145 -17.594 -7.457 No H/Q in entry = 9 Start of MODEL 3 1 H HIS 31 H HIS 31 1.478 -11.337 -4.779 2 HA HIS 31 HA HIS 31 -1.408 -10.751 -4.529 3 HB2 HIS 31 1HB HIS 31 1.067 -9.364 -3.573 4 HB3 HIS 31 2HB HIS 31 -0.499 -8.556 -3.642 5 HD1 HIS 31 HD1 HIS 31 -1.052 -8.420 -1.185 6 HD2 HIS 31 HD2 HIS 31 -0.237 -12.328 -2.465 7 HE1 HIS 31 HE1 HIS 31 -1.851 -10.004 0.633 No H/Q in entry = 7 Start of MODEL 3 1 HA PRO 32 HA PRO 32 -2.828 -8.982 -4.795 2 HB2 PRO 32 1HB PRO 32 -4.798 -8.273 -6.529 3 HB3 PRO 32 2HB PRO 32 -3.615 -7.112 -5.868 4 HG2 PRO 32 1HG PRO 32 -3.564 -8.448 -8.575 5 HG3 PRO 32 2HG PRO 32 -3.275 -6.736 -8.182 6 HD2 PRO 32 1HD PRO 32 -1.233 -8.563 -8.535 7 HD3 PRO 32 2HD PRO 32 -1.097 -7.175 -7.419 No H/Q in entry = 7 Start of MODEL 3 1 H SER 33 H SER 33 -3.023 -10.306 -8.128 2 HA SER 33 HA SER 33 -3.687 -12.979 -7.353 3 HB2 SER 33 1HB SER 33 -6.071 -12.975 -8.109 4 HB3 SER 33 2HB SER 33 -5.819 -12.044 -6.635 5 HG SER 33 HG SER 33 -7.085 -10.914 -8.133 No H/Q in entry = 5 Start of MODEL 3 1 H ASP 34 H ASP 34 -2.967 -10.621 -9.809 2 HA ASP 34 HA ASP 34 -4.162 -12.012 -12.009 3 HB2 ASP 34 1HB ASP 34 -2.162 -9.732 -12.002 4 HB3 ASP 34 2HB ASP 34 -3.236 -10.204 -13.327 No H/Q in entry = 4 Start of MODEL 3 1 H ILE 35 H ILE 35 -2.936 -14.097 -11.372 2 HA ILE 35 HA ILE 35 -0.229 -14.229 -12.512 3 HB ILE 35 HB ILE 35 -0.727 -15.115 -10.259 4 HG13 ILE 35 HG12 ILE 35 1.216 -15.722 -11.706 5 HG21 ILE 35 HG21 ILE 35 -2.941 -16.150 -10.717 6 HG22 ILE 35 HG22 ILE 35 -2.172 -17.339 -11.788 7 HG23 ILE 35 HG23 ILE 35 -1.807 -17.336 -10.064 8 HD11 ILE 35 HD11 ILE 35 1.119 -16.374 -9.356 9 HD12 ILE 35 HD12 ILE 35 0.360 -17.922 -9.809 10 HD13 ILE 35 HD13 ILE 35 1.993 -17.523 -10.378 11 HG12 ILE 35 HG11 ILE 35 0.354 -17.194 -12.183 No H/Q in entry = 11 Start of MODEL 3 1 H GLU 36 H GLU 36 0.395 -15.856 -14.014 2 HA GLU 36 HA GLU 36 -1.666 -17.354 -15.519 3 HB2 GLU 36 1HB GLU 36 0.455 -15.530 -16.653 4 HB3 GLU 36 2HB GLU 36 -0.448 -16.694 -17.627 5 HG2 GLU 36 1HG GLU 36 -1.638 -14.302 -16.139 6 HG3 GLU 36 2HG GLU 36 -1.332 -14.401 -17.871 No H/Q in entry = 6 Start of MODEL 3 1 H VAL 37 H VAL 37 -0.842 -19.094 -14.296 2 HA VAL 37 HA VAL 37 1.954 -19.952 -14.674 3 HB VAL 37 HB VAL 37 -0.300 -21.475 -13.363 4 HG11 VAL 37 HG11 VAL 37 2.741 -21.679 -13.160 5 HG12 VAL 37 HG12 VAL 37 1.581 -22.654 -12.237 6 HG13 VAL 37 HG13 VAL 37 1.691 -22.841 -13.992 7 HG22 VAL 37 HG21 VAL 37 -0.109 -19.445 -12.102 8 HG23 VAL 37 HG22 VAL 37 0.825 -20.652 -11.217 9 HG21 VAL 37 HG23 VAL 37 1.671 -19.461 -12.214 No H/Q in entry = 9 Start of MODEL 3 1 H ASP 38 H ASP 38 1.878 -19.958 -16.943 2 HA ASP 38 HA ASP 38 0.020 -21.651 -18.442 3 HB2 ASP 38 1HB ASP 38 0.738 -19.357 -19.124 4 HB3 ASP 38 2HB ASP 38 2.382 -19.956 -19.351 No H/Q in entry = 4 Start of MODEL 3 1 H LEU 39 H LEU 39 1.148 -23.437 -16.899 2 HA LEU 39 HA LEU 39 3.767 -24.183 -17.429 3 HB2 LEU 39 1HB LEU 39 3.403 -26.136 -16.144 4 HB3 LEU 39 2HB LEU 39 2.620 -24.758 -15.372 5 HG LEU 39 HG LEU 39 1.122 -26.741 -17.134 6 HD11 LEU 39 HD11 LEU 39 2.277 -27.955 -15.270 7 HD13 LEU 39 HD12 LEU 39 0.519 -27.955 -15.053 8 HD12 LEU 39 HD13 LEU 39 1.525 -26.847 -14.101 9 HD21 LEU 39 HD21 LEU 39 0.226 -24.777 -14.972 10 HD23 LEU 39 HD22 LEU 39 -0.794 -26.074 -15.613 11 HD22 LEU 39 HD23 LEU 39 -0.256 -24.794 -16.690 No H/Q in entry = 11 Start of MODEL 3 1 H LEU 40 H LEU 40 4.750 -25.962 -18.243 2 HA LEU 40 HA LEU 40 3.624 -26.867 -20.860 3 HB2 LEU 40 1HB LEU 40 6.489 -26.080 -20.224 4 HB3 LEU 40 2HB LEU 40 5.791 -26.385 -21.817 5 HG LEU 40 HG LEU 40 5.168 -24.027 -19.975 6 HD12 LEU 40 HD11 LEU 40 6.589 -24.119 -22.659 7 HD11 LEU 40 HD12 LEU 40 7.380 -23.939 -21.077 8 HD13 LEU 40 HD13 LEU 40 6.275 -22.684 -21.663 9 HD23 LEU 40 HD21 LEU 40 3.883 -23.153 -21.946 10 HD22 LEU 40 HD22 LEU 40 3.143 -24.585 -21.245 11 HD21 LEU 40 HD23 LEU 40 4.081 -24.736 -22.738 No H/Q in entry = 11 Start of MODEL 3 1 H LYS 41 H LYS 41 4.918 -28.610 -21.854 2 HA LYS 41 HA LYS 41 6.448 -30.361 -20.058 3 HB2 LYS 41 1HB LYS 41 5.302 -32.354 -21.013 4 HB3 LYS 41 2HB LYS 41 4.386 -31.435 -19.798 5 HG2 LYS 41 1HG LYS 41 3.065 -30.391 -21.638 6 HG3 LYS 41 2HG LYS 41 3.882 -31.426 -22.805 7 HD2 LYS 41 1HD LYS 41 2.126 -32.310 -20.477 8 HD3 LYS 41 2HD LYS 41 1.714 -32.351 -22.195 9 HE2 LYS 41 1HE LYS 41 3.790 -34.064 -20.762 10 HE3 LYS 41 2HE LYS 41 2.264 -34.585 -21.476 11 HZ2 LYS 41 1HZ LYS 41 4.542 -33.488 -22.961 12 HZ1 LYS 41 2HZ LYS 41 3.116 -33.989 -23.620 13 HZ3 LYS 41 3HZ LYS 41 4.115 -35.077 -22.883 No H/Q in entry = 13 Start of MODEL 3 1 H ASN 42 H ASN 42 8.315 -29.937 -21.058 2 HA ASN 42 HA ASN 42 9.894 -29.726 -22.621 3 HB2 ASN 42 1HB ASN 42 9.327 -32.205 -22.705 4 HB3 ASN 42 2HB ASN 42 8.408 -31.887 -24.177 5 HD21 ASN 42 HD21 ASN 42 10.247 -33.680 -24.588 6 HD22 ASN 42 HD22 ASN 42 11.698 -33.043 -25.334 No H/Q in entry = 6 Start of MODEL 3 1 H GLY 43 H GLY 43 8.219 -27.704 -22.740 2 HA3 GLY 43 1HA GLY 43 8.003 -25.894 -24.140 3 HA2 GLY 43 2HA GLY 43 8.265 -26.897 -25.567 No H/Q in entry = 3 Start of MODEL 3 1 H GLU 44 H GLU 44 6.107 -28.896 -24.743 2 HA GLU 44 HA GLU 44 4.046 -27.530 -26.224 3 HB2 GLU 44 1HB GLU 44 3.990 -30.278 -24.919 4 HB3 GLU 44 2HB GLU 44 2.897 -29.674 -26.170 5 HG2 GLU 44 1HG GLU 44 5.894 -30.184 -26.478 6 HG3 GLU 44 2HG GLU 44 4.581 -31.166 -27.124 No H/Q in entry = 6 Start of MODEL 3 1 H ARG 45 H ARG 45 2.360 -26.402 -25.454 2 HA ARG 45 HA ARG 45 1.986 -26.010 -22.644 3 HB2 ARG 45 1HB ARG 45 1.591 -24.263 -24.299 4 HB3 ARG 45 2HB ARG 45 0.262 -25.197 -25.006 5 HG2 ARG 45 1HG ARG 45 -0.989 -25.048 -22.850 6 HG3 ARG 45 2HG ARG 45 0.354 -24.139 -22.133 7 HD2 ARG 45 1HD ARG 45 -1.261 -23.294 -24.574 8 HD3 ARG 45 2HD ARG 45 -1.577 -22.749 -22.914 9 HE ARG 45 HE ARG 45 1.059 -22.134 -23.233 10 HH12 ARG 45 HH11 ARG 45 -1.330 -19.693 -25.432 11 HH11 ARG 45 HH12 ARG 45 -1.887 -21.302 -25.036 12 HH21 ARG 45 HH21 ARG 45 1.765 -20.052 -23.761 13 HH22 ARG 45 HH22 ARG 45 0.762 -18.983 -24.720 No H/Q in entry = 13 Start of MODEL 3 1 H ILE 46 H ILE 46 0.405 -26.652 -21.290 2 HA ILE 46 HA ILE 46 -0.943 -29.197 -21.915 3 HB ILE 46 HB ILE 46 -0.351 -27.717 -19.325 4 HG13 ILE 46 HG12 ILE 46 1.667 -28.508 -20.507 5 HG22 ILE 46 HG21 ILE 46 -1.410 -30.552 -19.740 6 HG23 ILE 46 HG22 ILE 46 -1.022 -29.776 -18.187 7 HG21 ILE 46 HG23 ILE 46 -2.366 -29.182 -19.142 8 HD11 ILE 46 HD11 ILE 46 1.580 -28.852 -18.021 9 HD12 ILE 46 HD12 ILE 46 1.109 -30.540 -18.351 10 HD13 ILE 46 HD13 ILE 46 2.665 -29.934 -18.914 11 HG12 ILE 46 HG11 ILE 46 0.932 -30.106 -20.719 No H/Q in entry = 11 Start of MODEL 3 1 H GLU 47 H GLU 47 -2.900 -28.792 -22.917 2 HA GLU 47 HA GLU 47 -4.673 -26.615 -22.019 3 HB2 GLU 47 1HB GLU 47 -5.012 -28.725 -24.192 4 HB3 GLU 47 2HB GLU 47 -6.139 -27.416 -23.828 5 HG2 GLU 47 1HG GLU 47 -4.913 -26.666 -25.677 6 HG3 GLU 47 2HG GLU 47 -4.355 -25.735 -24.284 No H/Q in entry = 6 Start of MODEL 3 1 H LYS 48 H LYS 48 -4.075 -28.513 -19.997 2 HA LYS 48 HA LYS 48 -6.751 -29.169 -19.145 3 HB2 LYS 48 1HB LYS 48 -6.034 -31.165 -20.567 4 HB3 LYS 48 2HB LYS 48 -4.785 -31.499 -19.376 5 HG2 LYS 48 1HG LYS 48 -7.800 -31.350 -18.853 6 HG3 LYS 48 2HG LYS 48 -6.879 -32.833 -19.139 7 HD2 LYS 48 1HD LYS 48 -5.496 -32.324 -17.098 8 HD3 LYS 48 2HD LYS 48 -6.615 -30.990 -16.725 9 HE2 LYS 48 1HE LYS 48 -7.435 -33.902 -17.022 10 HE3 LYS 48 2HE LYS 48 -7.104 -33.080 -15.489 11 HZ2 LYS 48 1HZ LYS 48 -9.189 -32.317 -17.398 12 HZ1 LYS 48 2HZ LYS 48 -8.850 -31.545 -15.980 13 HZ3 LYS 48 3HZ LYS 48 -9.417 -33.092 -15.961 No H/Q in entry = 13 Start of MODEL 3 1 H VAL 49 H VAL 49 -5.828 -27.362 -17.896 2 HA VAL 49 HA VAL 49 -3.711 -28.031 -15.955 3 HB VAL 49 HB VAL 49 -5.331 -25.489 -16.317 4 HG11 VAL 49 HG11 VAL 49 -2.830 -26.139 -14.701 5 HG12 VAL 49 HG12 VAL 49 -3.420 -24.491 -15.015 6 HG13 VAL 49 HG13 VAL 49 -4.404 -25.622 -14.077 7 HG23 VAL 49 HG21 VAL 49 -3.291 -24.605 -17.422 8 HG21 VAL 49 HG22 VAL 49 -2.556 -26.222 -17.364 9 HG22 VAL 49 HG23 VAL 49 -4.008 -25.926 -18.343 No H/Q in entry = 9 Start of MODEL 3 1 H GLU 50 H GLU 50 -4.151 -28.694 -13.910 2 HA GLU 50 HA GLU 50 -6.952 -28.576 -12.871 3 HB2 GLU 50 1HB GLU 50 -4.598 -30.316 -12.040 4 HB3 GLU 50 2HB GLU 50 -6.204 -30.271 -11.282 5 HG2 GLU 50 1HG GLU 50 -7.241 -30.974 -13.423 6 HG3 GLU 50 2HG GLU 50 -5.637 -31.100 -14.162 No H/Q in entry = 6 Start of MODEL 3 1 H HIS 51 H HIS 51 -7.217 -27.638 -10.808 2 HA HIS 51 HA HIS 51 -4.985 -26.065 -9.671 3 HB2 HIS 51 1HB HIS 51 -6.198 -23.978 -9.978 4 HB3 HIS 51 2HB HIS 51 -5.820 -24.716 -11.531 5 HD1 HIS 51 HD1 HIS 51 -8.651 -23.569 -9.406 6 HD2 HIS 51 HD2 HIS 51 -8.140 -25.885 -12.863 7 HE1 HIS 51 HE1 HIS 51 -10.935 -23.820 -10.493 No H/Q in entry = 7 Start of MODEL 3 1 H SER 52 H SER 52 -5.415 -25.361 -7.540 2 HA SER 52 HA SER 52 -7.429 -26.956 -6.150 3 HB2 SER 52 1HB SER 52 -5.060 -26.732 -5.403 4 HB3 SER 52 2HB SER 52 -5.377 -25.030 -5.012 5 HG SER 52 HG SER 52 -6.958 -25.741 -3.556 No H/Q in entry = 5 Start of MODEL 3 1 H ASP 53 H ASP 53 -8.511 -24.819 -7.842 2 HA ASP 53 HA ASP 53 -10.039 -23.170 -7.835 3 HB2 ASP 53 1HB ASP 53 -11.129 -25.264 -6.994 4 HB3 ASP 53 2HB ASP 53 -10.969 -24.653 -5.343 No H/Q in entry = 4 Start of MODEL 3 1 H LEU 54 H LEU 54 -7.749 -22.118 -6.796 2 HA LEU 54 HA LEU 54 -6.851 -20.443 -5.623 3 HB2 LEU 54 1HB LEU 54 -8.517 -19.329 -7.106 4 HB3 LEU 54 2HB LEU 54 -9.664 -19.320 -5.764 5 HG LEU 54 HG LEU 54 -7.953 -17.985 -4.428 6 HD13 LEU 54 HD11 LEU 54 -5.872 -18.412 -5.553 7 HD12 LEU 54 HD12 LEU 54 -6.284 -16.723 -5.888 8 HD11 LEU 54 HD13 LEU 54 -6.553 -17.947 -7.134 9 HD22 LEU 54 HD21 LEU 54 -8.510 -15.876 -5.580 10 HD21 LEU 54 HD22 LEU 54 -9.905 -16.969 -5.651 11 HD23 LEU 54 HD23 LEU 54 -8.873 -16.764 -7.077 No H/Q in entry = 11 Start of MODEL 3 1 H SER 55 H SER 55 -6.316 -21.563 -3.708 2 HA SER 55 HA SER 55 -8.284 -21.694 -1.524 3 HB2 SER 55 1HB SER 55 -5.428 -22.692 -1.538 4 HB3 SER 55 2HB SER 55 -6.707 -23.070 -0.376 5 HG SER 55 HG SER 55 -7.877 -23.950 -2.200 No H/Q in entry = 5 Start of MODEL 3 1 H PHE 56 H PHE 56 -8.530 -20.040 -0.188 2 HA PHE 56 HA PHE 56 -6.597 -17.861 -0.043 3 HB2 PHE 56 1HB PHE 56 -9.247 -18.241 1.391 4 HB3 PHE 56 2HB PHE 56 -8.333 -16.746 1.228 5 HD1 PHE 56 HD1 PHE 56 -8.127 -15.640 -1.033 6 HD2 PHE 56 HD2 PHE 56 -10.683 -19.050 -0.383 7 HE1 PHE 56 HE1 PHE 56 -9.389 -15.098 -3.104 8 HE2 PHE 56 HE2 PHE 56 -11.944 -18.497 -2.443 9 HZ PHE 56 HZ PHE 56 -11.327 -16.500 -3.782 No H/Q in entry = 9 Start of MODEL 3 1 H SER 57 H SER 57 -5.114 -17.595 1.541 2 HA SER 57 HA SER 57 -4.996 -19.394 3.861 3 HB2 SER 57 1HB SER 57 -2.946 -18.776 2.666 4 HB3 SER 57 2HB SER 57 -3.288 -17.059 2.940 5 HG SER 57 HG SER 57 -2.764 -19.026 4.914 No H/Q in entry = 5 Start of MODEL 3 1 H LYS 58 H LYS 58 -4.899 -18.623 6.015 2 HA LYS 58 HA LYS 58 -6.724 -16.670 6.943 3 HB2 LYS 58 1HB LYS 58 -5.597 -16.933 9.083 4 HB3 LYS 58 2HB LYS 58 -5.865 -18.502 8.315 5 HG2 LYS 58 1HG LYS 58 -3.458 -18.502 7.562 6 HG3 LYS 58 2HG LYS 58 -3.224 -16.973 8.436 7 HD2 LYS 58 1HD LYS 58 -3.856 -18.053 10.549 8 HD3 LYS 58 2HD LYS 58 -4.085 -19.599 9.700 9 HE2 LYS 58 1HE LYS 58 -1.702 -19.586 9.018 10 HE3 LYS 58 2HE LYS 58 -1.468 -18.022 9.824 11 HZ3 LYS 58 1HZ LYS 58 -0.751 -19.832 11.182 12 HZ2 LYS 58 2HZ LYS 58 -2.247 -20.525 11.142 13 HZ1 LYS 58 3HZ LYS 58 -2.031 -19.070 11.888 No H/Q in entry = 13 Start of MODEL 3 1 H ASP 59 H ASP 59 -3.290 -16.484 6.026 2 HA ASP 59 HA ASP 59 -2.803 -13.811 6.938 3 HB2 ASP 59 1HB ASP 59 -1.411 -15.489 4.803 4 HB3 ASP 59 2HB ASP 59 -0.783 -14.006 5.536 No H/Q in entry = 4 Start of MODEL 3 1 H GLY 60 H GLY 60 -3.604 -15.245 3.751 2 HA3 GLY 60 1HA GLY 60 -5.243 -13.702 2.475 3 HA2 GLY 60 2HA GLY 60 -3.900 -12.546 2.523 No H/Q in entry = 3 Start of MODEL 3 1 H SER 61 H SER 61 -2.032 -15.101 2.355 2 HA SER 61 HA SER 61 -1.360 -14.826 -0.319 3 HB2 SER 61 1HB SER 61 -0.030 -16.902 -0.024 4 HB3 SER 61 2HB SER 61 0.200 -15.729 1.287 5 HG SER 61 HG SER 61 -1.161 -16.988 2.562 No H/Q in entry = 5 Start of MODEL 3 1 H PHE 62 H PHE 62 -2.030 -15.608 -2.176 2 HA PHE 62 HA PHE 62 -4.539 -17.155 -2.271 3 HB2 PHE 62 1HB PHE 62 -2.996 -15.514 -4.326 4 HB3 PHE 62 2HB PHE 62 -4.585 -16.225 -4.563 5 HD1 PHE 62 HD1 PHE 62 -6.559 -15.376 -3.241 6 HD2 PHE 62 HD2 PHE 62 -2.707 -13.444 -3.095 7 HE1 PHE 62 HE1 PHE 62 -7.606 -13.346 -2.265 8 HE2 PHE 62 HE2 PHE 62 -3.767 -11.403 -2.172 9 HZ PHE 62 HZ PHE 62 -6.215 -11.358 -1.737 No H/Q in entry = 9 Start of MODEL 3 1 H TYR 63 H TYR 63 -3.187 -19.154 -1.647 2 HA TYR 63 HA TYR 63 -1.229 -20.002 -3.635 3 HB2 TYR 63 1HB TYR 63 -0.594 -21.667 -2.058 4 HB3 TYR 63 2HB TYR 63 -0.756 -20.116 -1.238 5 HD1 TYR 63 HD1 TYR 63 -2.486 -19.764 0.474 6 HD2 TYR 63 HD2 TYR 63 -2.171 -23.515 -1.622 7 HE1 TYR 63 HE1 TYR 63 -4.063 -20.807 2.085 8 HE2 TYR 63 HE2 TYR 63 -3.695 -24.565 0.022 9 HH TYR 63 HH TYR 63 -5.202 -22.702 2.689 No H/Q in entry = 9 Start of MODEL 3 1 H LEU 64 H LEU 64 -1.685 -21.239 -5.347 2 HA LEU 64 HA LEU 64 -3.866 -23.263 -5.195 3 HB2 LEU 64 1HB LEU 64 -2.326 -22.147 -7.518 4 HB3 LEU 64 2HB LEU 64 -3.529 -23.436 -7.596 5 HG LEU 64 HG LEU 64 -4.921 -21.536 -6.162 6 HD12 LEU 64 HD11 LEU 64 -4.647 -19.417 -7.383 7 HD11 LEU 64 HD12 LEU 64 -3.251 -20.080 -8.251 8 HD13 LEU 64 HD13 LEU 64 -3.174 -19.845 -6.492 9 HD23 LEU 64 HD21 LEU 64 -6.137 -21.140 -8.289 10 HD22 LEU 64 HD22 LEU 64 -5.809 -22.855 -7.989 11 HD21 LEU 64 HD23 LEU 64 -4.826 -21.957 -9.171 No H/Q in entry = 11 Start of MODEL 3 1 H LEU 65 H LEU 65 -3.364 -25.306 -6.375 2 HA LEU 65 HA LEU 65 -0.525 -26.163 -6.456 3 HB2 LEU 65 1HB LEU 65 -1.689 -27.371 -4.608 4 HB3 LEU 65 2HB LEU 65 -2.971 -27.832 -5.729 5 HG LEU 65 HG LEU 65 -1.309 -29.111 -7.085 6 HD11 LEU 65 HD11 LEU 65 0.604 -28.503 -4.797 7 HD13 LEU 65 HD12 LEU 65 0.785 -27.961 -6.486 8 HD12 LEU 65 HD13 LEU 65 0.848 -29.680 -6.098 9 HD21 LEU 65 HD21 LEU 65 -2.702 -30.216 -5.371 10 HD23 LEU 65 HD22 LEU 65 -1.460 -29.886 -4.146 11 HD22 LEU 65 HD23 LEU 65 -1.110 -30.983 -5.499 No H/Q in entry = 11 Start of MODEL 3 1 H TYR 66 H TYR 66 -0.014 -26.443 -8.579 2 HA TYR 66 HA TYR 66 -2.200 -26.833 -10.572 3 HB2 TYR 66 1HB TYR 66 0.538 -25.573 -10.786 4 HB3 TYR 66 2HB TYR 66 -0.495 -25.934 -12.166 5 HD1 TYR 66 HD1 TYR 66 -2.791 -24.850 -12.306 6 HD2 TYR 66 HD2 TYR 66 0.241 -23.541 -9.537 7 HE1 TYR 66 HE1 TYR 66 -3.811 -22.592 -12.252 8 HE2 TYR 66 HE2 TYR 66 -0.823 -21.311 -9.429 9 HH TYR 66 HH TYR 66 -3.609 -20.424 -11.495 No H/Q in entry = 9 Start of MODEL 3 1 H TYR 67 H TYR 67 -2.356 -29.046 -10.492 2 HA TYR 67 HA TYR 67 0.118 -30.666 -10.546 3 HB2 TYR 67 1HB TYR 67 -1.091 -32.354 -9.463 4 HB3 TYR 67 2HB TYR 67 -1.033 -30.833 -8.600 5 HD1 TYR 67 HD1 TYR 67 -3.195 -33.466 -9.817 6 HD2 TYR 67 HD2 TYR 67 -3.120 -29.354 -8.541 7 HE1 TYR 67 HE1 TYR 67 -5.638 -33.527 -9.466 8 HE2 TYR 67 HE2 TYR 67 -5.576 -29.393 -8.244 9 HH TYR 67 HH TYR 67 -7.501 -30.646 -8.423 No H/Q in entry = 9 Start of MODEL 3 1 H THR 68 H THR 68 0.425 -30.715 -12.859 2 HA THR 68 HA THR 68 -1.565 -32.149 -14.495 3 HB THR 68 HB THR 68 -0.363 -30.294 -15.498 4 HG1 THR 68 HG1 THR 68 -1.024 -32.067 -16.744 5 HG21 THR 68 HG21 THR 68 2.177 -31.959 -15.142 6 HG23 THR 68 HG22 THR 68 1.815 -30.412 -14.337 7 HG22 THR 68 HG23 THR 68 2.025 -30.474 -16.086 No H/Q in entry = 7 Start of MODEL 3 1 H GLU 69 H GLU 69 -1.245 -34.220 -15.363 2 HA GLU 69 HA GLU 69 0.504 -36.015 -13.828 3 HB2 GLU 69 1HB GLU 69 -1.871 -36.580 -14.269 4 HB3 GLU 69 2HB GLU 69 -1.525 -36.664 -15.998 5 HG2 GLU 69 1HG GLU 69 0.130 -38.465 -15.596 6 HG3 GLU 69 2HG GLU 69 -0.096 -38.306 -13.848 No H/Q in entry = 6 Start of MODEL 3 1 H PHE 70 H PHE 70 2.593 -35.692 -14.535 2 HA PHE 70 HA PHE 70 3.210 -35.606 -17.410 3 HB2 PHE 70 1HB PHE 70 5.241 -34.765 -16.826 4 HB3 PHE 70 2HB PHE 70 4.089 -33.930 -15.801 5 HD1 PHE 70 HD1 PHE 70 4.043 -34.531 -13.329 6 HD2 PHE 70 HD2 PHE 70 7.054 -36.056 -15.992 7 HE1 PHE 70 HE1 PHE 70 5.603 -34.852 -11.399 8 HE2 PHE 70 HE2 PHE 70 8.572 -36.416 -14.070 9 HZ PHE 70 HZ PHE 70 7.846 -35.792 -11.771 No H/Q in entry = 9 Start of MODEL 3 1 H THR 71 H THR 71 4.086 -37.297 -18.496 2 HA THR 71 HA THR 71 5.174 -39.656 -17.076 3 HB THR 71 HB THR 71 4.343 -39.273 -19.941 4 HG1 THR 71 HG1 THR 71 3.128 -40.498 -17.693 5 HG22 THR 71 HG21 THR 71 4.431 -41.761 -19.954 6 HG21 THR 71 HG22 THR 71 5.134 -41.746 -18.324 7 HG23 THR 71 HG23 THR 71 6.041 -41.070 -19.695 No H/Q in entry = 7 Start of MODEL 3 1 HA PRO 72 HA PRO 72 8.995 -37.447 -18.535 2 HB2 PRO 72 1HB PRO 72 10.740 -38.153 -16.589 3 HB3 PRO 72 2HB PRO 72 9.395 -37.032 -16.277 4 HG2 PRO 72 1HG PRO 72 9.491 -39.995 -15.668 5 HG3 PRO 72 2HG PRO 72 8.945 -38.681 -14.610 6 HD2 PRO 72 1HD PRO 72 7.275 -40.236 -16.162 7 HD3 PRO 72 2HD PRO 72 6.869 -38.570 -15.653 No H/Q in entry = 7 Start of MODEL 3 1 H THR 73 H THR 73 8.756 -38.921 -20.399 2 HA THR 73 HA THR 73 9.423 -41.587 -20.483 3 HB THR 73 HB THR 73 9.849 -39.551 -22.714 4 HG1 THR 73 HG1 THR 73 7.789 -39.393 -21.887 5 HG21 THR 73 HG21 THR 73 9.282 -42.550 -22.756 6 HG23 THR 73 HG22 THR 73 10.787 -41.759 -23.280 7 HG22 THR 73 HG23 THR 73 9.284 -41.482 -24.175 No H/Q in entry = 7 Start of MODEL 3 1 H GLU 74 H GLU 74 11.648 -38.917 -21.476 2 HA GLU 74 HA GLU 74 13.853 -40.059 -20.068 3 HB2 GLU 74 1HB GLU 74 13.864 -41.614 -22.022 4 HB3 GLU 74 2HB GLU 74 13.947 -40.240 -23.123 5 HG2 GLU 74 1HG GLU 74 16.147 -41.252 -22.822 6 HG3 GLU 74 2HG GLU 74 16.156 -39.614 -22.163 No H/Q in entry = 6 Start of MODEL 3 1 H LYS 75 H LYS 75 13.457 -38.170 -23.095 2 HA LYS 75 HA LYS 75 15.189 -36.048 -22.042 3 HB2 LYS 75 1HB LYS 75 13.970 -36.746 -24.718 4 HB3 LYS 75 2HB LYS 75 14.759 -35.193 -24.496 5 HG2 LYS 75 1HG LYS 75 16.320 -37.596 -23.589 6 HG3 LYS 75 2HG LYS 75 16.026 -37.430 -25.317 7 HD2 LYS 75 1HD LYS 75 18.136 -36.467 -24.792 8 HD3 LYS 75 2HD LYS 75 17.049 -35.198 -25.352 9 HE2 LYS 75 1HE LYS 75 17.608 -35.732 -22.393 10 HE3 LYS 75 2HE LYS 75 18.608 -34.673 -23.396 11 HZ2 LYS 75 1HZ LYS 75 15.756 -34.257 -22.882 12 HZ1 LYS 75 2HZ LYS 75 16.711 -33.331 -23.852 13 HZ3 LYS 75 3HZ LYS 75 17.011 -33.413 -22.235 No H/Q in entry = 13 Start of MODEL 3 1 H ASP 76 H ASP 76 11.957 -36.600 -21.549 2 HA ASP 76 HA ASP 76 10.812 -34.091 -22.314 3 HB2 ASP 76 1HB ASP 76 9.933 -36.053 -20.173 4 HB3 ASP 76 2HB ASP 76 8.968 -34.735 -20.871 No H/Q in entry = 4 Start of MODEL 3 1 H GLU 77 H GLU 77 11.313 -32.168 -21.482 2 HA GLU 77 HA GLU 77 12.277 -31.918 -18.667 3 HB2 GLU 77 1HB GLU 77 13.325 -29.812 -19.460 4 HB3 GLU 77 2HB GLU 77 13.997 -31.306 -20.123 5 HG2 GLU 77 1HG GLU 77 12.741 -30.934 -22.248 6 HG3 GLU 77 2HG GLU 77 12.145 -29.393 -21.608 No H/Q in entry = 6 Start of MODEL 3 1 H TYR 78 H TYR 78 10.711 -31.277 -17.342 2 HA TYR 78 HA TYR 78 8.354 -29.867 -18.393 3 HB2 TYR 78 1HB TYR 78 8.966 -31.086 -15.678 4 HB3 TYR 78 2HB TYR 78 7.435 -30.359 -16.155 5 HD1 TYR 78 HD1 TYR 78 5.954 -31.430 -17.796 6 HD2 TYR 78 HD2 TYR 78 9.697 -33.253 -16.681 7 HE1 TYR 78 HE1 TYR 78 5.365 -33.472 -19.079 8 HE2 TYR 78 HE2 TYR 78 9.140 -35.235 -18.025 9 HH TYR 78 HH TYR 78 7.568 -36.238 -19.461 No H/Q in entry = 9 Start of MODEL 3 1 H ALA 79 H ALA 79 7.603 -27.886 -17.682 2 HA ALA 79 HA ALA 79 9.149 -26.315 -15.763 3 HB2 ALA 79 1HB ALA 79 9.576 -24.497 -17.428 4 HB1 ALA 79 2HB ALA 79 10.480 -25.977 -17.808 5 HB3 ALA 79 3HB ALA 79 9.015 -25.568 -18.726 No H/Q in entry = 5 Start of MODEL 3 1 H CYS 80 H CYS 80 7.673 -25.350 -14.554 2 HA CYS 80 HA CYS 80 5.081 -24.499 -15.640 3 HB2 CYS 80 1HB CYS 80 6.321 -24.461 -12.900 4 HB3 CYS 80 2HB CYS 80 4.838 -23.570 -13.278 No H/Q in entry = 4 Start of MODEL 3 1 H ARG 81 H ARG 81 4.838 -22.651 -16.648 2 HA ARG 81 HA ARG 81 6.994 -20.648 -16.802 3 HB2 ARG 81 1HB ARG 81 6.191 -21.492 -18.869 4 HB3 ARG 81 2HB ARG 81 4.505 -21.247 -18.400 5 HG2 ARG 81 1HG ARG 81 4.668 -18.879 -18.547 6 HG3 ARG 81 2HG ARG 81 6.434 -18.933 -18.727 7 HD2 ARG 81 1HD ARG 81 6.160 -20.097 -20.889 8 HD3 ARG 81 2HD ARG 81 4.412 -20.136 -20.661 9 HE ARG 81 HE ARG 81 6.071 -17.642 -20.910 10 HH12 ARG 81 HH11 ARG 81 2.415 -17.953 -22.639 11 HH11 ARG 81 HH12 ARG 81 3.016 -19.334 -21.766 12 HH21 ARG 81 HH21 ARG 81 5.229 -15.923 -22.078 13 HH22 ARG 81 HH22 ARG 81 3.660 -16.041 -22.838 No H/Q in entry = 13 Start of MODEL 3 1 H VAL 82 H VAL 82 6.781 -19.544 -14.828 2 HA VAL 82 HA VAL 82 4.094 -18.891 -13.831 3 HB VAL 82 HB VAL 82 6.812 -18.514 -12.518 4 HG11 VAL 82 HG11 VAL 82 4.943 -17.147 -11.548 5 HG12 VAL 82 HG12 VAL 82 3.974 -18.629 -11.403 6 HG13 VAL 82 HG13 VAL 82 5.466 -18.441 -10.457 7 HG22 VAL 82 HG21 VAL 82 6.476 -20.898 -12.959 8 HG23 VAL 82 HG22 VAL 82 6.181 -20.580 -11.251 9 HG21 VAL 82 HG23 VAL 82 4.811 -20.810 -12.352 No H/Q in entry = 9 Start of MODEL 3 1 H ASN 83 H ASN 83 3.631 -17.379 -15.599 2 HA ASN 83 HA ASN 83 5.036 -14.780 -15.535 3 HB2 ASN 83 1HB ASN 83 2.599 -15.755 -17.073 4 HB3 ASN 83 2HB ASN 83 3.288 -14.128 -17.171 5 HD21 ASN 83 HD21 ASN 83 3.634 -14.403 -19.437 6 HD22 ASN 83 HD22 ASN 83 4.947 -15.393 -20.037 No H/Q in entry = 6 Start of MODEL 3 1 H HIS 84 H HIS 84 4.026 -12.881 -14.780 2 HA HIS 84 HA HIS 84 1.467 -12.943 -13.387 3 HB2 HIS 84 1HB HIS 84 3.003 -13.951 -11.710 4 HB3 HIS 84 2HB HIS 84 4.104 -12.587 -11.904 5 HD2 HIS 84 HD2 HIS 84 0.313 -12.971 -10.687 6 HE1 HIS 84 HE1 HIS 84 2.382 -10.193 -8.270 7 HE2 HIS 84 HE2 HIS 84 0.128 -11.358 -8.642 No H/Q in entry = 7 Start of MODEL 3 1 H VAL 85 H VAL 85 0.890 -10.707 -12.697 2 HA VAL 85 HA VAL 85 1.445 -8.863 -14.711 3 HB VAL 85 HB VAL 85 -0.550 -8.773 -13.396 4 HG13 VAL 85 HG11 VAL 85 -0.617 -7.832 -11.116 5 HG11 VAL 85 HG12 VAL 85 0.297 -9.347 -11.142 6 HG12 VAL 85 HG13 VAL 85 1.152 -7.789 -11.058 7 HG21 VAL 85 HG21 VAL 85 0.319 -6.704 -14.534 8 HG22 VAL 85 HG22 VAL 85 -0.781 -6.399 -13.178 9 HG23 VAL 85 HG23 VAL 85 0.963 -6.170 -12.967 No H/Q in entry = 9 Start of MODEL 3 1 H THR 86 H THR 86 3.164 -9.318 -11.626 2 HA THR 86 HA THR 86 4.790 -6.936 -11.918 3 HB THR 86 HB THR 86 6.046 -7.776 -10.057 4 HG1 THR 86 HG1 THR 86 4.581 -10.178 -10.328 5 HG22 THR 86 HG21 THR 86 4.252 -8.083 -8.397 6 HG21 THR 86 HG22 THR 86 3.066 -8.338 -9.678 7 HG23 THR 86 HG23 THR 86 3.871 -6.767 -9.536 No H/Q in entry = 7 Start of MODEL 3 1 H LEU 87 H LEU 87 5.202 -10.434 -12.598 2 HA LEU 87 HA LEU 87 7.924 -10.062 -13.608 3 HB2 LEU 87 1HB LEU 87 6.238 -12.567 -13.766 4 HB3 LEU 87 2HB LEU 87 7.991 -12.401 -13.849 5 HG LEU 87 HG LEU 87 6.246 -11.855 -11.385 6 HD12 LEU 87 HD11 LEU 87 7.210 -13.926 -10.495 7 HD11 LEU 87 HD12 LEU 87 8.024 -14.221 -12.044 8 HD13 LEU 87 HD13 LEU 87 6.250 -14.211 -11.957 9 HD22 LEU 87 HD21 LEU 87 8.280 -10.490 -11.307 10 HD21 LEU 87 HD22 LEU 87 9.275 -11.914 -11.684 11 HD23 LEU 87 HD23 LEU 87 8.390 -11.820 -10.145 No H/Q in entry = 11 Start of MODEL 3 1 H SER 88 H SER 88 7.474 -8.565 -15.324 2 HA SER 88 HA SER 88 5.822 -9.001 -17.551 3 HB2 SER 88 1HB SER 88 8.588 -7.719 -17.448 4 HB3 SER 88 2HB SER 88 7.375 -7.501 -18.729 5 HG SER 88 HG SER 88 7.311 -5.828 -17.180 No H/Q in entry = 5 Start of MODEL 3 1 H GLN 89 H GLN 89 9.026 -10.339 -16.742 2 HA GLN 89 HA GLN 89 9.220 -11.749 -19.315 3 HB2 GLN 89 1HB GLN 89 11.412 -12.483 -18.466 4 HB3 GLN 89 2HB GLN 89 11.213 -10.738 -18.666 5 HG2 GLN 89 1HG GLN 89 11.060 -10.379 -16.294 6 HG3 GLN 89 2HG GLN 89 10.862 -12.110 -15.977 7 HE21 GLN 89 HE21 GLN 89 13.222 -10.110 -17.875 8 HE22 GLN 89 HE22 GLN 89 14.642 -10.836 -17.156 No H/Q in entry = 8 Start of MODEL 3 1 HA PRO 90 HA PRO 90 7.477 -15.381 -17.451 2 HB2 PRO 90 1HB PRO 90 8.194 -17.350 -19.196 3 HB3 PRO 90 2HB PRO 90 7.116 -16.009 -19.682 4 HG2 PRO 90 1HG PRO 90 10.107 -16.188 -20.130 5 HG3 PRO 90 2HG PRO 90 8.836 -15.822 -21.330 6 HD2 PRO 90 1HD PRO 90 10.221 -13.846 -20.063 7 HD3 PRO 90 2HD PRO 90 8.478 -13.666 -20.426 No H/Q in entry = 7 Start of MODEL 3 1 H LYS 91 H LYS 91 8.084 -16.530 -15.680 2 HA LYS 91 HA LYS 91 10.902 -17.348 -15.256 3 HB2 LYS 91 1HB LYS 91 8.440 -17.078 -13.586 4 HB3 LYS 91 2HB LYS 91 9.577 -18.355 -13.146 5 HG2 LYS 91 1HG LYS 91 10.003 -16.280 -11.941 6 HG3 LYS 91 2HG LYS 91 11.392 -16.846 -12.879 7 HD2 LYS 91 1HD LYS 91 11.025 -15.139 -14.584 8 HD3 LYS 91 2HD LYS 91 9.492 -14.655 -13.830 9 HE2 LYS 91 1HE LYS 91 10.712 -13.970 -11.786 10 HE3 LYS 91 2HE LYS 91 12.244 -14.511 -12.501 11 HZ2 LYS 91 1HZ LYS 91 11.912 -12.159 -12.690 12 HZ1 LYS 91 2HZ LYS 91 10.541 -12.385 -13.580 13 HZ3 LYS 91 3HZ LYS 91 12.005 -12.866 -14.176 No H/Q in entry = 13 Start of MODEL 3 1 H ILE 92 H ILE 92 11.135 -18.831 -16.963 2 HA ILE 92 HA ILE 92 9.456 -21.228 -17.133 3 HB ILE 92 HB ILE 92 12.191 -20.644 -18.332 4 HG13 ILE 92 HG12 ILE 92 11.063 -20.103 -20.418 5 HG21 ILE 92 HG21 ILE 92 10.087 -22.743 -18.999 6 HG22 ILE 92 HG22 ILE 92 11.547 -22.420 -19.954 7 HG23 ILE 92 HG23 ILE 92 11.687 -23.031 -18.300 8 HD12 ILE 92 HD11 ILE 92 8.470 -20.028 -18.824 9 HD13 ILE 92 HD12 ILE 92 8.703 -19.473 -20.490 10 HD11 ILE 92 HD13 ILE 92 8.846 -21.194 -20.114 11 HG12 ILE 92 HG11 ILE 92 10.676 -18.945 -19.154 No H/Q in entry = 11 Start of MODEL 3 1 H VAL 93 H VAL 93 9.469 -21.989 -14.990 2 HA VAL 93 HA VAL 93 11.836 -22.254 -13.414 3 HB VAL 93 HB VAL 93 9.122 -23.629 -13.143 4 HG13 VAL 93 HG11 VAL 93 10.727 -24.884 -11.835 5 HG11 VAL 93 HG12 VAL 93 11.499 -23.391 -11.244 6 HG12 VAL 93 HG13 VAL 93 9.875 -23.835 -10.716 7 HG23 VAL 93 HG21 VAL 93 10.233 -21.172 -11.724 8 HG21 VAL 93 HG22 VAL 93 9.003 -21.132 -13.004 9 HG22 VAL 93 HG23 VAL 93 8.640 -21.922 -11.471 No H/Q in entry = 9 Start of MODEL 3 1 H LYS 94 H LYS 94 13.000 -24.123 -12.904 2 HA LYS 94 HA LYS 94 12.869 -26.349 -14.892 3 HB2 LYS 94 1HB LYS 94 15.035 -25.649 -12.889 4 HB3 LYS 94 2HB LYS 94 15.090 -26.870 -14.189 5 HG2 LYS 94 1HG LYS 94 14.656 -24.898 -15.803 6 HG3 LYS 94 2HG LYS 94 15.000 -23.829 -14.442 7 HD2 LYS 94 1HD LYS 94 16.884 -25.853 -15.741 8 HD3 LYS 94 2HD LYS 94 16.988 -24.092 -15.772 9 HE2 LYS 94 1HE LYS 94 18.620 -24.696 -14.233 10 HE3 LYS 94 2HE LYS 94 17.272 -24.212 -13.194 11 HZ1 LYS 94 1HZ LYS 94 17.927 -26.979 -13.964 12 HZ3 LYS 94 2HZ LYS 94 16.805 -26.527 -12.849 13 HZ2 LYS 94 3HZ LYS 94 18.399 -26.271 -12.555 No H/Q in entry = 13 Start of MODEL 3 1 H TRP 95 H TRP 95 11.448 -27.863 -14.138 2 HA TRP 95 HA TRP 95 10.920 -28.468 -11.391 3 HB2 TRP 95 1HB TRP 95 9.404 -29.313 -13.066 4 HB3 TRP 95 2HB TRP 95 10.717 -30.047 -13.960 5 HD1 TRP 95 HD1 TRP 95 9.640 -30.528 -10.236 6 HE1 TRP 95 HE1 TRP 95 9.645 -33.047 -9.729 7 HE3 TRP 95 HE3 TRP 95 10.957 -32.271 -14.843 8 HZ2 TRP 95 HZ2 TRP 95 10.302 -35.481 -11.102 9 HZ3 TRP 95 HZ3 TRP 95 11.357 -34.705 -15.198 10 HH2 TRP 95 HH2 TRP 95 11.062 -36.302 -13.324 No H/Q in entry = 10 Start of MODEL 3 1 H ASP 96 H ASP 96 12.703 -28.749 -10.111 2 HA ASP 96 HA ASP 96 14.956 -30.459 -10.956 3 HB2 ASP 96 1HB ASP 96 14.437 -28.906 -8.397 4 HB3 ASP 96 2HB ASP 96 15.909 -29.807 -8.790 No H/Q in entry = 4 Start of MODEL 3 1 H ARG 97 H ARG 97 14.070 -32.432 -11.171 2 HA ARG 97 HA ARG 97 12.219 -33.806 -9.720 3 HB2 ARG 97 1HB ARG 97 13.061 -35.772 -10.705 4 HB3 ARG 97 2HB ARG 97 13.321 -34.474 -11.870 5 HG2 ARG 97 1HG ARG 97 15.441 -35.739 -10.072 6 HG3 ARG 97 2HG ARG 97 15.185 -36.052 -11.787 7 HD2 ARG 97 1HD ARG 97 15.772 -33.723 -12.345 8 HD3 ARG 97 2HD ARG 97 16.033 -33.376 -10.626 9 HE ARG 97 HE ARG 97 17.581 -35.619 -11.611 10 HH12 ARG 97 HH11 ARG 97 19.301 -31.976 -11.083 11 HH11 ARG 97 HH12 ARG 97 17.561 -32.088 -11.072 12 HH21 ARG 97 HH21 ARG 97 19.843 -35.420 -11.593 13 HH22 ARG 97 HH22 ARG 97 20.593 -33.856 -11.365 No H/Q in entry = 13 Start of MODEL 3 1 H ASP 98 H ASP 98 15.543 -33.205 -8.729 2 HA ASP 98 HA ASP 98 15.475 -35.064 -6.473 3 HB2 ASP 98 1HB ASP 98 17.746 -34.291 -6.100 4 HB3 ASP 98 2HB ASP 98 17.517 -34.815 -7.767 No H/Q in entry = 4 Start of MODEL 3 1 H MET 99 H MET 99 13.355 -33.650 -6.077 2 HA MET 99 HA MET 99 12.183 -32.431 -4.656 3 HB2 MET 99 1HB MET 99 13.485 -33.691 -3.001 4 HB3 MET 99 2HB MET 99 14.703 -32.405 -2.952 5 HG2 MET 99 1HG MET 99 13.011 -30.816 -2.113 6 HG3 MET 99 2HG MET 99 11.758 -32.052 -2.261 7 HE1 MET 99 1HE MET 99 15.163 -31.172 -0.597 8 HE2 MET 99 2HE MET 99 15.194 -32.216 0.841 9 HE3 MET 99 3HE MET 99 15.418 -32.929 -0.768 No H/Q in entry = 9 Start of MODEL 4 1 H1 MET 0 2H MET 0 -2.745 -3.817 0.358 2 H2 MET 0 3H MET 0 -2.222 -2.289 0.687 3 H3 MET 0 1H MET 0 -3.576 -2.519 -0.228 4 HA MET 0 HA MET 0 -2.336 -3.546 -1.940 5 HB2 MET 0 1HB MET 0 -2.730 -1.063 -1.851 6 HB3 MET 0 2HB MET 0 -1.100 -0.851 -1.219 7 HG2 MET 0 1HG MET 0 -1.860 -2.149 -3.875 8 HG3 MET 0 2HG MET 0 -1.358 -0.474 -3.683 9 HE3 MET 0 1HE MET 0 2.450 -0.676 -3.026 10 HE1 MET 0 2HE MET 0 1.039 0.374 -3.289 11 HE2 MET 0 3HE MET 0 1.198 -0.549 -1.775 No H/Q in entry = 11 Start of MODEL 4 1 H ILE 1 H ILE 1 -0.790 -5.080 -2.113 2 HA ILE 1 HA ILE 1 1.933 -4.425 -1.442 3 HB ILE 1 HB ILE 1 1.039 -5.338 0.725 4 HG13 ILE 1 HG12 ILE 1 3.401 -5.319 0.157 5 HG21 ILE 1 HG21 ILE 1 -0.505 -7.049 -0.319 6 HG22 ILE 1 HG22 ILE 1 0.927 -8.040 -0.672 7 HG23 ILE 1 HG23 ILE 1 0.497 -7.652 1.001 8 HD13 ILE 1 HD11 ILE 1 4.221 -7.012 1.651 9 HD11 ILE 1 HD12 ILE 1 2.696 -6.386 2.306 10 HD12 ILE 1 HD13 ILE 1 2.738 -7.969 1.494 11 HG12 ILE 1 HG11 ILE 1 3.268 -6.884 -0.651 No H/Q in entry = 11 Start of MODEL 4 1 H GLN 2 H GLN 2 3.191 -5.195 -3.015 2 HA GLN 2 HA GLN 2 2.019 -7.005 -5.037 3 HB2 GLN 2 1HB GLN 2 4.416 -5.151 -5.033 4 HB3 GLN 2 2HB GLN 2 3.956 -6.210 -6.376 5 HG2 GLN 2 1HG GLN 2 1.712 -5.129 -6.466 6 HG3 GLN 2 2HG GLN 2 2.204 -4.029 -5.170 7 HE21 GLN 2 HE21 GLN 2 3.031 -5.093 -8.504 8 HE22 GLN 2 HE22 GLN 2 3.720 -3.565 -9.005 No H/Q in entry = 8 Start of MODEL 4 1 H ARG 3 H ARG 3 2.287 -8.752 -3.244 2 HA ARG 3 HA ARG 3 4.975 -9.838 -2.923 3 HB2 ARG 3 1HB ARG 3 2.199 -10.927 -2.321 4 HB3 ARG 3 2HB ARG 3 3.684 -11.844 -2.045 5 HG2 ARG 3 1HG ARG 3 3.089 -9.168 -0.736 6 HG3 ARG 3 2HG ARG 3 2.812 -10.755 -0.006 7 HD2 ARG 3 1HD ARG 3 5.264 -11.277 -0.371 8 HD3 ARG 3 2HD ARG 3 5.500 -9.572 -0.818 9 HE ARG 3 HE ARG 3 4.182 -9.602 1.660 10 HH12 ARG 3 HH11 ARG 3 8.178 -10.351 1.796 11 HH11 ARG 3 HH12 ARG 3 7.316 -10.588 0.297 12 HH21 ARG 3 HH21 ARG 3 5.346 -9.291 3.619 13 HH22 ARG 3 HH22 ARG 3 7.062 -9.615 3.678 No H/Q in entry = 13 Start of MODEL 4 1 H THR 4 H THR 4 5.937 -11.427 -4.012 2 HA THR 4 HA THR 4 4.920 -12.096 -6.677 3 HB THR 4 HB THR 4 7.291 -12.928 -6.944 4 HG1 THR 4 HG1 THR 4 8.712 -12.445 -5.243 5 HG23 THR 4 HG21 THR 4 8.354 -10.750 -6.910 6 HG22 THR 4 HG22 THR 4 7.134 -10.107 -5.794 7 HG21 THR 4 HG23 THR 4 6.678 -10.553 -7.453 No H/Q in entry = 7 Start of MODEL 4 1 HA PRO 5 HA PRO 5 3.936 -16.355 -5.639 2 HB2 PRO 5 1HB PRO 5 4.988 -17.732 -7.821 3 HB3 PRO 5 2HB PRO 5 3.448 -16.831 -7.836 4 HG2 PRO 5 1HG PRO 5 6.159 -15.906 -8.789 5 HG3 PRO 5 2HG PRO 5 4.573 -15.714 -9.597 6 HD2 PRO 5 1HD PRO 5 5.663 -13.695 -8.215 7 HD3 PRO 5 2HD PRO 5 3.914 -14.010 -8.095 No H/Q in entry = 7 Start of MODEL 4 1 H LYS 6 H LYS 6 4.906 -17.593 -4.151 2 HA LYS 6 HA LYS 6 7.809 -17.968 -3.999 3 HB2 LYS 6 1HB LYS 6 6.444 -17.837 -1.938 4 HB3 LYS 6 2HB LYS 6 5.519 -19.255 -2.475 5 HG2 LYS 6 1HG LYS 6 7.489 -20.673 -2.362 6 HG3 LYS 6 2HG LYS 6 8.536 -19.280 -2.061 7 HD2 LYS 6 1HD LYS 6 8.132 -20.583 -0.031 8 HD3 LYS 6 2HD LYS 6 7.517 -18.931 0.136 9 HE2 LYS 6 1HE LYS 6 5.228 -19.689 -0.195 10 HE3 LYS 6 2HE LYS 6 5.786 -21.327 -0.625 11 HZ1 LYS 6 1HZ LYS 6 6.676 -21.458 1.626 12 HZ3 LYS 6 2HZ LYS 6 5.036 -21.311 1.574 13 HZ2 LYS 6 3HZ LYS 6 5.965 -20.012 1.985 No H/Q in entry = 13 Start of MODEL 4 1 H ILE 7 H ILE 7 8.836 -19.542 -5.097 2 HA ILE 7 HA ILE 7 7.253 -21.328 -6.816 3 HB ILE 7 HB ILE 7 10.229 -20.684 -6.812 4 HG13 ILE 7 HG12 ILE 7 7.846 -19.253 -7.948 5 HG22 ILE 7 HG21 ILE 7 10.131 -21.613 -9.078 6 HG23 ILE 7 HG22 ILE 7 9.672 -22.831 -7.886 7 HG21 ILE 7 HG23 ILE 7 8.411 -22.020 -8.843 8 HD12 ILE 7 HD11 ILE 7 10.772 -18.439 -7.584 9 HD13 ILE 7 HD12 ILE 7 9.423 -17.363 -7.992 10 HD11 ILE 7 HD13 ILE 7 9.493 -18.125 -6.394 11 HG12 ILE 7 HG11 ILE 7 9.173 -19.527 -9.075 No H/Q in entry = 11 Start of MODEL 4 1 H GLN 8 H GLN 8 6.855 -23.362 -6.157 2 HA GLN 8 HA GLN 8 8.994 -24.975 -4.908 3 HB2 GLN 8 1HB GLN 8 6.196 -24.702 -3.733 4 HB3 GLN 8 2HB GLN 8 7.398 -25.929 -3.282 5 HG2 GLN 8 1HG GLN 8 8.948 -24.088 -2.586 6 HG3 GLN 8 2HG GLN 8 7.653 -22.919 -2.918 7 HE21 GLN 8 HE21 GLN 8 8.754 -22.958 -0.415 8 HE22 GLN 8 HE22 GLN 8 7.621 -23.637 0.734 No H/Q in entry = 8 Start of MODEL 4 1 H VAL 9 H VAL 9 8.982 -25.563 -7.207 2 HA VAL 9 HA VAL 9 6.760 -27.269 -8.152 3 HB VAL 9 HB VAL 9 9.313 -26.351 -9.445 4 HG11 VAL 9 HG11 VAL 9 6.934 -27.912 -10.502 5 HG12 VAL 9 HG12 VAL 9 8.056 -27.034 -11.573 6 HG13 VAL 9 HG13 VAL 9 8.639 -28.350 -10.555 7 HG22 VAL 9 HG21 VAL 9 7.860 -24.438 -9.042 8 HG23 VAL 9 HG22 VAL 9 7.739 -24.862 -10.762 9 HG21 VAL 9 HG23 VAL 9 6.453 -25.316 -9.640 No H/Q in entry = 9 Start of MODEL 4 1 H TYR 10 H TYR 10 6.899 -29.032 -6.883 2 HA TYR 10 HA TYR 10 9.478 -30.458 -6.637 3 HB2 TYR 10 1HB TYR 10 8.740 -31.300 -4.605 4 HB3 TYR 10 2HB TYR 10 8.458 -29.572 -4.649 5 HD1 TYR 10 HD1 TYR 10 6.222 -28.669 -4.344 6 HD2 TYR 10 HD2 TYR 10 6.869 -32.918 -4.635 7 HE1 TYR 10 HE1 TYR 10 4.032 -29.079 -3.267 8 HE2 TYR 10 HE2 TYR 10 4.652 -33.326 -3.619 9 HH TYR 10 HH TYR 10 2.510 -30.658 -2.563 No H/Q in entry = 9 Start of MODEL 4 1 H SER 11 H SER 11 9.596 -32.739 -6.519 2 HA SER 11 HA SER 11 7.962 -34.177 -8.470 3 HB2 SER 11 1HB SER 11 10.118 -35.353 -6.648 4 HB3 SER 11 2HB SER 11 9.544 -35.944 -8.214 5 HG SER 11 HG SER 11 11.539 -34.838 -8.311 No H/Q in entry = 5 Start of MODEL 4 1 H ARG 12 H ARG 12 5.924 -34.722 -7.748 2 HA ARG 12 HA ARG 12 5.334 -35.309 -4.991 3 HB2 ARG 12 1HB ARG 12 3.728 -34.361 -6.580 4 HB3 ARG 12 2HB ARG 12 3.763 -35.843 -7.539 5 HG2 ARG 12 1HG ARG 12 1.767 -35.831 -6.216 6 HG3 ARG 12 2HG ARG 12 2.821 -37.100 -5.580 7 HD2 ARG 12 1HD ARG 12 3.499 -35.648 -3.719 8 HD3 ARG 12 2HD ARG 12 2.541 -34.318 -4.406 9 HE ARG 12 HE ARG 12 0.973 -36.708 -3.960 10 HH12 ARG 12 HH11 ARG 12 1.149 -33.879 -1.045 11 HH11 ARG 12 HH12 ARG 12 2.318 -33.840 -2.341 12 HH21 ARG 12 HH21 ARG 12 -0.545 -36.735 -2.254 13 HH22 ARG 12 HH22 ARG 12 -0.484 -35.525 -0.997 No H/Q in entry = 13 Start of MODEL 4 1 H HIS 13 H HIS 13 5.244 -37.345 -7.947 2 HA HIS 13 HA HIS 13 5.609 -39.830 -6.414 3 HB2 HIS 13 1HB HIS 13 5.123 -39.118 -9.313 4 HB3 HIS 13 2HB HIS 13 5.503 -40.766 -8.820 5 HD1 HIS 13 HD1 HIS 13 3.199 -38.566 -6.763 6 HD2 HIS 13 HD2 HIS 13 2.946 -41.729 -9.493 7 HE1 HIS 13 HE1 HIS 13 0.804 -39.414 -6.716 No H/Q in entry = 7 Start of MODEL 4 1 HA PRO 14 HA PRO 14 9.986 -39.905 -7.084 2 HB2 PRO 14 1HB PRO 14 10.576 -42.573 -7.346 3 HB3 PRO 14 2HB PRO 14 10.049 -41.820 -5.814 4 HG2 PRO 14 1HG PRO 14 8.324 -43.277 -7.832 5 HG3 PRO 14 2HG PRO 14 8.394 -43.539 -6.063 6 HD2 PRO 14 1HD PRO 14 6.480 -41.988 -7.176 7 HD3 PRO 14 2HD PRO 14 7.244 -41.499 -5.636 No H/Q in entry = 7 Start of MODEL 4 1 H ALA 15 H ALA 15 11.423 -39.734 -8.762 2 HA ALA 15 HA ALA 15 10.377 -39.743 -11.468 3 HB1 ALA 15 1HB ALA 15 11.661 -37.884 -10.551 4 HB2 ALA 15 2HB ALA 15 13.074 -38.936 -10.334 5 HB3 ALA 15 3HB ALA 15 12.464 -38.581 -11.969 No H/Q in entry = 5 Start of MODEL 4 1 H GLU 16 H GLU 16 10.149 -42.234 -11.075 2 HA GLU 16 HA GLU 16 12.500 -43.805 -11.858 3 HB2 GLU 16 1HB GLU 16 10.905 -44.591 -10.185 4 HB3 GLU 16 2HB GLU 16 9.585 -44.515 -11.354 5 HG2 GLU 16 1HG GLU 16 12.069 -46.255 -11.730 6 HG3 GLU 16 2HG GLU 16 10.635 -46.800 -10.849 No H/Q in entry = 6 Start of MODEL 4 1 H ASN 17 H ASN 17 12.902 -44.421 -13.918 2 HA ASN 17 HA ASN 17 12.128 -42.772 -15.972 3 HB2 ASN 17 1HB ASN 17 14.219 -44.062 -15.865 4 HB3 ASN 17 2HB ASN 17 13.327 -45.565 -16.138 5 HD21 ASN 17 HD21 ASN 17 13.871 -42.305 -17.593 6 HD22 ASN 17 HD22 ASN 17 13.831 -42.847 -19.255 No H/Q in entry = 6 Start of MODEL 4 1 H GLY 18 H GLY 18 10.299 -42.574 -17.119 2 HA3 GLY 18 1HA GLY 18 8.500 -43.075 -18.418 3 HA2 GLY 18 2HA GLY 18 9.154 -44.710 -18.599 No H/Q in entry = 3 Start of MODEL 4 1 H LYS 19 H LYS 19 7.710 -42.719 -15.960 2 HA LYS 19 HA LYS 19 5.436 -44.522 -15.683 3 HB2 LYS 19 1HB LYS 19 7.089 -45.690 -14.381 4 HB3 LYS 19 2HB LYS 19 7.509 -44.232 -13.484 5 HG2 LYS 19 1HG LYS 19 4.695 -45.378 -13.457 6 HG3 LYS 19 2HG LYS 19 5.953 -46.090 -12.455 7 HD2 LYS 19 1HD LYS 19 4.964 -43.218 -12.252 8 HD3 LYS 19 2HD LYS 19 4.565 -44.542 -11.173 9 HE2 LYS 19 1HE LYS 19 7.335 -43.302 -11.532 10 HE3 LYS 19 2HE LYS 19 6.235 -43.070 -10.180 11 HZ3 LYS 19 1HZ LYS 19 7.904 -44.676 -9.695 12 HZ2 LYS 19 2HZ LYS 19 7.422 -45.636 -10.943 13 HZ1 LYS 19 3HZ LYS 19 6.411 -45.376 -9.664 No H/Q in entry = 13 Start of MODEL 4 1 H SER 20 H SER 20 3.731 -43.340 -15.125 2 HA SER 20 HA SER 20 3.970 -40.568 -15.456 3 HB2 SER 20 1HB SER 20 2.077 -41.881 -16.266 4 HB3 SER 20 2HB SER 20 1.535 -42.164 -14.592 5 HG SER 20 HG SER 20 0.476 -40.378 -15.512 No H/Q in entry = 5 Start of MODEL 4 1 H ASN 21 H ASN 21 4.086 -38.873 -14.154 2 HA ASN 21 HA ASN 21 3.751 -39.163 -11.197 3 HB2 ASN 21 1HB ASN 21 5.937 -37.823 -12.855 4 HB3 ASN 21 2HB ASN 21 5.718 -37.549 -11.119 5 HD21 ASN 21 HD21 ASN 21 8.091 -38.259 -11.413 6 HD22 ASN 21 HD22 ASN 21 8.367 -39.963 -11.109 No H/Q in entry = 6 Start of MODEL 4 1 H PHE 22 H PHE 22 3.389 -37.109 -10.107 2 HA PHE 22 HA PHE 22 1.858 -35.159 -11.731 3 HB2 PHE 22 1HB PHE 22 1.784 -35.874 -8.823 4 HB3 PHE 22 2HB PHE 22 0.876 -34.561 -9.574 5 HD1 PHE 22 HD1 PHE 22 -1.124 -34.971 -10.837 6 HD2 PHE 22 HD2 PHE 22 1.385 -38.274 -9.653 7 HE1 PHE 22 HE1 PHE 22 -2.781 -36.570 -11.753 8 HE2 PHE 22 HE2 PHE 22 -0.270 -39.863 -10.585 9 HZ PHE 22 HZ PHE 22 -2.352 -39.014 -11.641 No H/Q in entry = 9 Start of MODEL 4 1 H LEU 23 H LEU 23 2.793 -33.227 -12.184 2 HA LEU 23 HA LEU 23 5.272 -32.346 -10.917 3 HB2 LEU 23 1HB LEU 23 4.976 -32.198 -13.352 4 HB3 LEU 23 2HB LEU 23 3.506 -31.256 -13.135 5 HG LEU 23 HG LEU 23 4.917 -29.418 -12.132 6 HD11 LEU 23 HD11 LEU 23 7.223 -31.170 -13.106 7 HD13 LEU 23 HD12 LEU 23 6.883 -30.738 -11.412 8 HD12 LEU 23 HD13 LEU 23 7.339 -29.482 -12.572 9 HD21 LEU 23 HD21 LEU 23 5.582 -30.378 -14.945 10 HD23 LEU 23 HD22 LEU 23 5.866 -28.732 -14.334 11 HD22 LEU 23 HD23 LEU 23 4.212 -29.356 -14.469 No H/Q in entry = 11 Start of MODEL 4 1 H ASN 24 H ASN 24 4.895 -31.542 -8.815 2 HA ASN 24 HA ASN 24 2.329 -30.151 -8.310 3 HB2 ASN 24 1HB ASN 24 4.416 -31.539 -6.641 4 HB3 ASN 24 2HB ASN 24 3.353 -30.331 -5.917 5 HD21 ASN 24 HD21 ASN 24 2.484 -32.682 -8.528 6 HD22 ASN 24 HD22 ASN 24 1.242 -33.466 -7.582 No H/Q in entry = 6 Start of MODEL 4 1 H CYS 25 H CYS 25 2.799 -28.289 -9.517 2 HA CYS 25 HA CYS 25 4.808 -26.382 -8.531 3 HB2 CYS 25 1HB CYS 25 2.583 -26.132 -10.565 4 HB3 CYS 25 2HB CYS 25 3.759 -24.866 -10.175 No H/Q in entry = 4 Start of MODEL 4 1 H TYR 26 H TYR 26 4.308 -26.136 -6.372 2 HA TYR 26 HA TYR 26 1.623 -25.256 -5.548 3 HB2 TYR 26 1HB TYR 26 2.849 -26.889 -4.222 4 HB3 TYR 26 2HB TYR 26 4.179 -25.769 -4.003 5 HD1 TYR 26 HD1 TYR 26 4.070 -24.029 -2.303 6 HD2 TYR 26 HD2 TYR 26 0.583 -26.398 -3.215 7 HE1 TYR 26 HE1 TYR 26 3.008 -23.279 -0.201 8 HE2 TYR 26 HE2 TYR 26 -0.453 -25.693 -1.087 9 HH TYR 26 HH TYR 26 -0.238 -24.408 0.811 No H/Q in entry = 9 Start of MODEL 4 1 H VAL 27 H VAL 27 1.362 -23.217 -6.509 2 HA VAL 27 HA VAL 27 3.556 -21.242 -6.299 3 HB VAL 27 HB VAL 27 1.022 -21.241 -7.951 4 HG11 VAL 27 HG11 VAL 27 3.524 -19.505 -8.039 5 HG12 VAL 27 HG12 VAL 27 2.189 -19.454 -9.203 6 HG13 VAL 27 HG13 VAL 27 1.914 -18.953 -7.528 7 HG22 VAL 27 HG21 VAL 27 2.551 -23.049 -8.658 8 HG23 VAL 27 HG22 VAL 27 2.574 -21.734 -9.831 9 HG21 VAL 27 HG23 VAL 27 3.910 -21.910 -8.677 No H/Q in entry = 9 Start of MODEL 4 1 H SER 28 H SER 28 3.283 -20.675 -4.069 2 HA SER 28 HA SER 28 0.659 -19.619 -3.228 3 HB2 SER 28 1HB SER 28 1.637 -19.955 -0.951 4 HB3 SER 28 2HB SER 28 1.444 -21.421 -1.946 5 HG SER 28 HG SER 28 3.840 -19.960 -1.690 No H/Q in entry = 5 Start of MODEL 4 1 H GLY 29 H GLY 29 0.288 -17.681 -2.332 2 HA3 GLY 29 1HA GLY 29 0.629 -15.703 -1.293 3 HA2 GLY 29 2HA GLY 29 2.363 -16.027 -1.232 No H/Q in entry = 3 Start of MODEL 4 1 H PHE 30 H PHE 30 0.538 -15.942 -4.297 2 HA PHE 30 HA PHE 30 2.090 -13.589 -5.177 3 HB2 PHE 30 1HB PHE 30 1.254 -14.087 -7.367 4 HB3 PHE 30 2HB PHE 30 2.042 -15.452 -6.609 5 HD1 PHE 30 HD1 PHE 30 0.717 -17.461 -5.892 6 HD2 PHE 30 HD2 PHE 30 -1.084 -14.168 -8.016 7 HE1 PHE 30 HE1 PHE 30 -1.294 -18.846 -6.383 8 HE2 PHE 30 HE2 PHE 30 -3.125 -15.536 -8.382 9 HZ PHE 30 HZ PHE 30 -3.263 -17.816 -7.485 No H/Q in entry = 9 Start of MODEL 4 1 H HIS 31 H HIS 31 1.216 -11.740 -4.472 2 HA HIS 31 HA HIS 31 -1.725 -11.322 -4.615 3 HB2 HIS 31 1HB HIS 31 -0.323 -11.187 -2.501 4 HB3 HIS 31 2HB HIS 31 0.124 -9.573 -3.064 5 HD1 HIS 31 HD1 HIS 31 -2.081 -7.951 -3.559 6 HD2 HIS 31 HD2 HIS 31 -2.863 -11.579 -1.631 7 HE1 HIS 31 HE1 HIS 31 -4.489 -7.882 -2.720 No H/Q in entry = 7 Start of MODEL 4 1 HA PRO 32 HA PRO 32 -3.344 -9.894 -5.406 2 HB2 PRO 32 1HB PRO 32 -4.619 -9.081 -7.663 3 HB3 PRO 32 2HB PRO 32 -3.970 -7.935 -6.466 4 HG2 PRO 32 1HG PRO 32 -2.596 -8.884 -9.005 5 HG3 PRO 32 2HG PRO 32 -2.917 -7.194 -8.502 6 HD2 PRO 32 1HD PRO 32 -0.535 -8.416 -7.995 7 HD3 PRO 32 2HD PRO 32 -1.268 -7.316 -6.795 No H/Q in entry = 7 Start of MODEL 4 1 H SER 33 H SER 33 -5.087 -11.019 -7.159 2 HA SER 33 HA SER 33 -3.949 -13.666 -7.413 3 HB2 SER 33 1HB SER 33 -6.194 -13.108 -6.401 4 HB3 SER 33 2HB SER 33 -6.770 -12.732 -8.036 5 HG SER 33 HG SER 33 -7.243 -14.857 -7.491 No H/Q in entry = 5 Start of MODEL 4 1 H ASP 34 H ASP 34 -3.556 -11.265 -9.576 2 HA ASP 34 HA ASP 34 -4.808 -12.404 -11.940 3 HB2 ASP 34 1HB ASP 34 -2.983 -10.003 -11.576 4 HB3 ASP 34 2HB ASP 34 -3.929 -10.392 -13.023 No H/Q in entry = 4 Start of MODEL 4 1 H ILE 35 H ILE 35 -3.329 -14.417 -11.268 2 HA ILE 35 HA ILE 35 -0.689 -14.301 -12.562 3 HB ILE 35 HB ILE 35 -1.071 -15.232 -10.279 4 HG13 ILE 35 HG12 ILE 35 0.949 -15.585 -11.639 5 HG22 ILE 35 HG21 ILE 35 -2.186 -17.648 -11.803 6 HG23 ILE 35 HG22 ILE 35 -1.898 -17.553 -10.070 7 HG21 ILE 35 HG23 ILE 35 -3.152 -16.547 -10.799 8 HD11 ILE 35 HD11 ILE 35 0.861 -16.336 -9.322 9 HD12 ILE 35 HD12 ILE 35 0.274 -17.936 -9.842 10 HD13 ILE 35 HD13 ILE 35 1.879 -17.364 -10.325 11 HG12 ILE 35 HG11 ILE 35 0.288 -17.131 -12.207 No H/Q in entry = 11 Start of MODEL 4 1 H GLU 36 H GLU 36 -0.019 -15.932 -14.084 2 HA GLU 36 HA GLU 36 -2.083 -17.558 -15.454 3 HB2 GLU 36 1HB GLU 36 -0.109 -15.716 -16.811 4 HB3 GLU 36 2HB GLU 36 -1.166 -16.875 -17.625 5 HG2 GLU 36 1HG GLU 36 -3.151 -15.607 -16.792 6 HG3 GLU 36 2HG GLU 36 -2.067 -14.421 -16.042 No H/Q in entry = 6 Start of MODEL 4 1 H VAL 37 H VAL 37 -1.116 -19.215 -14.256 2 HA VAL 37 HA VAL 37 1.697 -19.968 -14.729 3 HB VAL 37 HB VAL 37 -0.501 -21.537 -13.365 4 HG11 VAL 37 HG11 VAL 37 2.544 -21.772 -13.300 5 HG12 VAL 37 HG12 VAL 37 1.420 -22.739 -12.322 6 HG13 VAL 37 HG13 VAL 37 1.439 -22.915 -14.080 7 HG21 VAL 37 HG21 VAL 37 1.555 -19.623 -12.183 8 HG22 VAL 37 HG22 VAL 37 -0.217 -19.473 -12.112 9 HG23 VAL 37 HG23 VAL 37 0.594 -20.771 -11.233 No H/Q in entry = 9 Start of MODEL 4 1 H ASP 38 H ASP 38 1.512 -19.942 -16.988 2 HA ASP 38 HA ASP 38 -0.291 -21.803 -18.401 3 HB2 ASP 38 1HB ASP 38 -0.079 -19.538 -19.209 4 HB3 ASP 38 2HB ASP 38 1.679 -19.656 -19.258 No H/Q in entry = 4 Start of MODEL 4 1 H LEU 39 H LEU 39 1.106 -23.392 -16.916 2 HA LEU 39 HA LEU 39 3.744 -23.927 -17.503 3 HB2 LEU 39 1HB LEU 39 3.508 -25.995 -16.360 4 HB3 LEU 39 2HB LEU 39 2.600 -24.746 -15.508 5 HG LEU 39 HG LEU 39 1.327 -26.709 -17.457 6 HD11 LEU 39 HD11 LEU 39 2.496 -27.930 -15.627 7 HD13 LEU 39 HD12 LEU 39 0.735 -28.087 -15.518 8 HD12 LEU 39 HD13 LEU 39 1.591 -26.983 -14.426 9 HD22 LEU 39 HD21 LEU 39 -0.217 -24.912 -17.008 10 HD21 LEU 39 HD22 LEU 39 0.152 -24.953 -15.263 11 HD23 LEU 39 HD23 LEU 39 -0.708 -26.297 -16.037 No H/Q in entry = 11 Start of MODEL 4 1 H LEU 40 H LEU 40 4.851 -25.572 -18.455 2 HA LEU 40 HA LEU 40 3.683 -26.548 -21.028 3 HB2 LEU 40 1HB LEU 40 6.519 -25.556 -20.567 4 HB3 LEU 40 2HB LEU 40 5.770 -26.002 -22.106 5 HG LEU 40 HG LEU 40 5.107 -23.557 -20.402 6 HD13 LEU 40 HD11 LEU 40 7.251 -23.412 -21.579 7 HD12 LEU 40 HD12 LEU 40 6.068 -22.353 -22.367 8 HD11 LEU 40 HD13 LEU 40 6.482 -23.910 -23.101 9 HD21 LEU 40 HD21 LEU 40 3.937 -24.488 -23.057 10 HD23 LEU 40 HD22 LEU 40 3.677 -22.883 -22.320 11 HD22 LEU 40 HD23 LEU 40 3.071 -24.324 -21.518 No H/Q in entry = 11 Start of MODEL 4 1 H LYS 41 H LYS 41 4.934 -28.284 -22.021 2 HA LYS 41 HA LYS 41 6.852 -29.739 -20.323 3 HB2 LYS 41 1HB LYS 41 5.877 -31.911 -21.000 4 HB3 LYS 41 2HB LYS 41 4.923 -31.009 -19.822 5 HG2 LYS 41 1HG LYS 41 3.395 -30.253 -21.665 6 HG3 LYS 41 2HG LYS 41 4.284 -31.276 -22.791 7 HD2 LYS 41 1HD LYS 41 2.736 -32.221 -20.362 8 HD3 LYS 41 2HD LYS 41 2.255 -32.347 -22.058 9 HE2 LYS 41 1HE LYS 41 4.494 -33.844 -20.656 10 HE3 LYS 41 2HE LYS 41 3.042 -34.491 -21.418 11 HZ2 LYS 41 1HZ LYS 41 5.352 -33.272 -22.756 12 HZ1 LYS 41 2HZ LYS 41 3.950 -33.650 -23.534 13 HZ3 LYS 41 3HZ LYS 41 4.857 -34.839 -22.835 No H/Q in entry = 13 Start of MODEL 4 1 H ASN 42 H ASN 42 8.487 -28.956 -21.582 2 HA ASN 42 HA ASN 42 9.821 -28.608 -23.363 3 HB2 ASN 42 1HB ASN 42 9.921 -31.028 -23.218 4 HB3 ASN 42 2HB ASN 42 8.544 -31.211 -24.312 5 HD21 ASN 42 HD21 ASN 42 10.031 -32.596 -25.519 6 HD22 ASN 42 HD22 ASN 42 11.140 -31.863 -26.659 No H/Q in entry = 6 Start of MODEL 4 1 H GLY 43 H GLY 43 7.978 -26.823 -23.503 2 HA3 GLY 43 1HA GLY 43 7.378 -25.243 -25.059 3 HA2 GLY 43 2HA GLY 43 7.608 -26.387 -26.377 No H/Q in entry = 3 Start of MODEL 4 1 H GLU 44 H GLU 44 5.779 -28.445 -25.066 2 HA GLU 44 HA GLU 44 3.403 -27.630 -26.426 3 HB2 GLU 44 1HB GLU 44 3.858 -29.925 -24.495 4 HB3 GLU 44 2HB GLU 44 2.533 -29.780 -25.654 5 HG2 GLU 44 1HG GLU 44 4.162 -29.904 -27.523 6 HG3 GLU 44 2HG GLU 44 5.496 -30.062 -26.365 No H/Q in entry = 6 Start of MODEL 4 1 H ARG 45 H ARG 45 1.914 -26.212 -25.601 2 HA ARG 45 HA ARG 45 1.699 -25.567 -22.801 3 HB2 ARG 45 1HB ARG 45 0.217 -24.848 -25.308 4 HB3 ARG 45 2HB ARG 45 -0.648 -24.677 -23.774 5 HG2 ARG 45 1HG ARG 45 1.085 -23.253 -22.847 6 HG3 ARG 45 2HG ARG 45 2.066 -23.431 -24.323 7 HD2 ARG 45 1HD ARG 45 0.219 -22.381 -25.643 8 HD3 ARG 45 2HD ARG 45 -0.746 -22.252 -24.165 9 HE ARG 45 HE ARG 45 0.393 -20.407 -23.518 10 HH12 ARG 45 HH11 ARG 45 3.468 -20.655 -26.156 11 HH11 ARG 45 HH12 ARG 45 2.405 -22.027 -25.955 12 HH21 ARG 45 HH21 ARG 45 1.760 -18.625 -23.820 13 HH22 ARG 45 HH22 ARG 45 3.097 -18.710 -24.945 No H/Q in entry = 13 Start of MODEL 4 1 H ILE 46 H ILE 46 0.533 -26.387 -21.253 2 HA ILE 46 HA ILE 46 -1.041 -28.841 -21.701 3 HB ILE 46 HB ILE 46 -0.011 -27.414 -19.231 4 HG13 ILE 46 HG12 ILE 46 1.729 -28.424 -20.706 5 HG22 ILE 46 HG21 ILE 46 -1.359 -30.144 -19.408 6 HG23 ILE 46 HG22 ILE 46 -0.727 -29.344 -17.950 7 HG21 ILE 46 HG23 ILE 46 -2.128 -28.678 -18.771 8 HD13 ILE 46 HD11 ILE 46 2.851 -29.896 -19.212 9 HD11 ILE 46 HD12 ILE 46 2.120 -28.602 -18.258 10 HD12 ILE 46 HD13 ILE 46 1.370 -30.219 -18.313 11 HG12 ILE 46 HG11 ILE 46 0.861 -29.966 -20.680 No H/Q in entry = 11 Start of MODEL 4 1 H GLU 47 H GLU 47 -3.122 -28.403 -22.309 2 HA GLU 47 HA GLU 47 -4.528 -25.972 -21.588 3 HB2 GLU 47 1HB GLU 47 -5.424 -28.556 -22.935 4 HB3 GLU 47 2HB GLU 47 -6.458 -27.153 -22.659 5 HG2 GLU 47 1HG GLU 47 -5.700 -27.053 -24.914 6 HG3 GLU 47 2HG GLU 47 -4.960 -25.727 -24.012 No H/Q in entry = 6 Start of MODEL 4 1 H LYS 48 H LYS 48 -4.552 -29.370 -20.503 2 HA LYS 48 HA LYS 48 -6.823 -28.998 -18.696 3 HB2 LYS 48 1HB LYS 48 -4.957 -31.345 -19.203 4 HB3 LYS 48 2HB LYS 48 -6.424 -31.382 -18.203 5 HG2 LYS 48 1HG LYS 48 -7.773 -30.690 -20.192 6 HG3 LYS 48 2HG LYS 48 -6.301 -30.725 -21.184 7 HD2 LYS 48 1HD LYS 48 -6.022 -33.165 -20.549 8 HD3 LYS 48 2HD LYS 48 -7.598 -33.069 -19.745 9 HE2 LYS 48 1HE LYS 48 -7.958 -33.992 -21.934 10 HE3 LYS 48 2HE LYS 48 -8.602 -32.340 -21.961 11 HZ3 LYS 48 1HZ LYS 48 -6.628 -31.642 -23.076 12 HZ2 LYS 48 2HZ LYS 48 -7.287 -32.909 -23.896 13 HZ1 LYS 48 3HZ LYS 48 -5.955 -33.143 -22.955 No H/Q in entry = 13 Start of MODEL 4 1 H VAL 49 H VAL 49 -5.698 -27.175 -17.627 2 HA VAL 49 HA VAL 49 -3.407 -27.760 -15.910 3 HB VAL 49 HB VAL 49 -5.121 -25.268 -16.247 4 HG12 VAL 49 HG11 VAL 49 -3.064 -24.152 -15.229 5 HG13 VAL 49 HG12 VAL 49 -4.059 -25.117 -14.132 6 HG11 VAL 49 HG13 VAL 49 -2.528 -25.776 -14.745 7 HG23 VAL 49 HG21 VAL 49 -3.176 -24.422 -17.571 8 HG21 VAL 49 HG22 VAL 49 -2.457 -26.046 -17.500 9 HG22 VAL 49 HG23 VAL 49 -3.999 -25.780 -18.334 No H/Q in entry = 9 Start of MODEL 4 1 H GLU 50 H GLU 50 -3.526 -28.241 -13.750 2 HA GLU 50 HA GLU 50 -6.216 -28.435 -12.506 3 HB2 GLU 50 1HB GLU 50 -3.532 -29.583 -11.673 4 HB3 GLU 50 2HB GLU 50 -5.088 -29.873 -10.880 5 HG2 GLU 50 1HG GLU 50 -4.223 -30.754 -13.663 6 HG3 GLU 50 2HG GLU 50 -4.579 -31.773 -12.266 No H/Q in entry = 6 Start of MODEL 4 1 H HIS 51 H HIS 51 -6.172 -27.988 -10.102 2 HA HIS 51 HA HIS 51 -4.676 -25.688 -9.162 3 HB2 HIS 51 1HB HIS 51 -6.744 -24.202 -9.258 4 HB3 HIS 51 2HB HIS 51 -5.926 -24.470 -10.794 5 HD1 HIS 51 HD1 HIS 51 -7.142 -25.866 -12.618 6 HD2 HIS 51 HD2 HIS 51 -9.326 -25.431 -9.067 7 HE1 HIS 51 HE1 HIS 51 -9.511 -26.650 -13.087 No H/Q in entry = 7 Start of MODEL 4 1 H SER 52 H SER 52 -5.569 -25.024 -7.020 2 HA SER 52 HA SER 52 -6.907 -27.243 -5.618 3 HB2 SER 52 1HB SER 52 -5.777 -24.612 -4.604 4 HB3 SER 52 2HB SER 52 -6.522 -25.875 -3.603 5 HG SER 52 HG SER 52 -4.357 -26.353 -5.358 No H/Q in entry = 5 Start of MODEL 4 1 H ASP 53 H ASP 53 -7.641 -23.867 -4.830 2 HA ASP 53 HA ASP 53 -10.281 -23.838 -6.029 3 HB2 ASP 53 1HB ASP 53 -11.505 -23.989 -3.857 4 HB3 ASP 53 2HB ASP 53 -10.697 -25.493 -4.265 No H/Q in entry = 4 Start of MODEL 4 1 H LEU 54 H LEU 54 -7.787 -22.123 -5.640 2 HA LEU 54 HA LEU 54 -7.077 -20.126 -4.974 3 HB2 LEU 54 1HB LEU 54 -8.948 -19.328 -6.428 4 HB3 LEU 54 2HB LEU 54 -10.005 -19.293 -5.015 5 HG LEU 54 HG LEU 54 -8.260 -17.713 -3.939 6 HD13 LEU 54 HD11 LEU 54 -6.400 -18.087 -5.505 7 HD12 LEU 54 HD12 LEU 54 -6.905 -16.393 -5.523 8 HD11 LEU 54 HD13 LEU 54 -7.380 -17.476 -6.851 9 HD21 LEU 54 HD21 LEU 54 -10.493 -17.005 -4.829 10 HD23 LEU 54 HD22 LEU 54 -9.758 -16.758 -6.424 11 HD22 LEU 54 HD23 LEU 54 -9.252 -15.756 -5.045 No H/Q in entry = 11 Start of MODEL 4 1 H SER 55 H SER 55 -6.380 -21.143 -3.064 2 HA SER 55 HA SER 55 -8.155 -21.248 -0.732 3 HB2 SER 55 1HB SER 55 -5.295 -22.202 -0.989 4 HB3 SER 55 2HB SER 55 -6.503 -22.688 0.216 5 HG SER 55 HG SER 55 -6.274 -24.196 -1.503 No H/Q in entry = 5 Start of MODEL 4 1 H PHE 56 H PHE 56 -8.123 -19.801 0.889 2 HA PHE 56 HA PHE 56 -6.171 -17.586 0.857 3 HB2 PHE 56 1HB PHE 56 -8.733 -17.977 2.432 4 HB3 PHE 56 2HB PHE 56 -7.801 -16.492 2.283 5 HD1 PHE 56 HD1 PHE 56 -10.405 -18.554 0.823 6 HD2 PHE 56 HD2 PHE 56 -7.533 -15.471 -0.075 7 HE1 PHE 56 HE1 PHE 56 -11.691 -17.948 -1.205 8 HE2 PHE 56 HE2 PHE 56 -8.814 -14.886 -2.131 9 HZ PHE 56 HZ PHE 56 -10.915 -16.095 -2.666 No H/Q in entry = 9 Start of MODEL 4 1 H SER 57 H SER 57 -4.368 -17.796 2.184 2 HA SER 57 HA SER 57 -4.198 -19.701 4.306 3 HB2 SER 57 1HB SER 57 -2.494 -17.206 4.003 4 HB3 SER 57 2HB SER 57 -2.103 -18.701 4.865 5 HG SER 57 HG SER 57 -2.258 -19.780 2.833 No H/Q in entry = 5 Start of MODEL 4 1 H LYS 58 H LYS 58 -4.495 -16.108 4.436 2 HA LYS 58 HA LYS 58 -6.424 -16.240 6.572 3 HB2 LYS 58 1HB LYS 58 -5.148 -15.022 8.253 4 HB3 LYS 58 2HB LYS 58 -4.501 -16.638 7.957 5 HG2 LYS 58 1HG LYS 58 -2.752 -15.510 6.427 6 HG3 LYS 58 2HG LYS 58 -3.297 -13.974 7.117 7 HD2 LYS 58 1HD LYS 58 -2.053 -16.333 8.567 8 HD3 LYS 58 2HD LYS 58 -1.359 -14.727 8.322 9 HE2 LYS 58 1HE LYS 58 -3.758 -15.418 10.084 10 HE3 LYS 58 2HE LYS 58 -2.136 -14.976 10.619 11 HZ3 LYS 58 1HZ LYS 58 -3.608 -13.139 10.747 12 HZ2 LYS 58 2HZ LYS 58 -3.970 -13.220 9.142 13 HZ1 LYS 58 3HZ LYS 58 -2.441 -12.832 9.623 No H/Q in entry = 13 Start of MODEL 4 1 H ASP 59 H ASP 59 -3.994 -14.078 5.025 2 HA ASP 59 HA ASP 59 -6.113 -12.089 4.418 3 HB2 ASP 59 1HB ASP 59 -3.626 -11.532 6.096 4 HB3 ASP 59 2HB ASP 59 -4.700 -10.302 5.410 No H/Q in entry = 4 Start of MODEL 4 1 H GLY 60 H GLY 60 -5.731 -12.721 2.246 2 HA3 GLY 60 1HA GLY 60 -4.913 -12.199 0.183 3 HA2 GLY 60 2HA GLY 60 -3.896 -10.977 0.958 No H/Q in entry = 3 Start of MODEL 4 1 H SER 61 H SER 61 -4.137 -14.537 0.590 2 HA SER 61 HA SER 61 -1.436 -14.774 -0.456 3 HB2 SER 61 1HB SER 61 -2.144 -15.815 2.304 4 HB3 SER 61 2HB SER 61 -0.840 -16.522 1.326 5 HG SER 61 HG SER 61 -1.019 -13.784 2.034 No H/Q in entry = 5 Start of MODEL 4 1 H PHE 62 H PHE 62 -2.181 -15.764 -2.218 2 HA PHE 62 HA PHE 62 -4.448 -17.636 -2.078 3 HB2 PHE 62 1HB PHE 62 -3.105 -16.351 -4.461 4 HB3 PHE 62 2HB PHE 62 -4.682 -17.126 -4.405 5 HD1 PHE 62 HD1 PHE 62 -5.846 -15.847 -1.888 6 HD2 PHE 62 HD2 PHE 62 -3.591 -14.150 -5.155 7 HE1 PHE 62 HE1 PHE 62 -6.717 -13.602 -1.342 8 HE2 PHE 62 HE2 PHE 62 -4.454 -11.912 -4.574 9 HZ PHE 62 HZ PHE 62 -6.041 -11.637 -2.687 No H/Q in entry = 9 Start of MODEL 4 1 H TYR 63 H TYR 63 -3.565 -19.639 -1.461 2 HA TYR 63 HA TYR 63 -1.173 -20.590 -2.889 3 HB2 TYR 63 1HB TYR 63 -0.795 -22.078 -1.182 4 HB3 TYR 63 2HB TYR 63 -1.093 -20.475 -0.522 5 HD1 TYR 63 HD1 TYR 63 -3.202 -20.043 0.784 6 HD2 TYR 63 HD2 TYR 63 -2.101 -23.984 -0.566 7 HE1 TYR 63 HE1 TYR 63 -4.720 -21.062 2.470 8 HE2 TYR 63 HE2 TYR 63 -3.599 -24.987 1.126 9 HH TYR 63 HH TYR 63 -5.175 -24.587 2.766 No H/Q in entry = 9 Start of MODEL 4 1 H LEU 64 H LEU 64 -1.737 -21.415 -4.846 2 HA LEU 64 HA LEU 64 -3.740 -23.618 -4.926 3 HB2 LEU 64 1HB LEU 64 -2.438 -22.031 -7.099 4 HB3 LEU 64 2HB LEU 64 -3.544 -23.385 -7.333 5 HG LEU 64 HG LEU 64 -4.960 -21.791 -5.515 6 HD12 LEU 64 HD11 LEU 64 -4.908 -19.530 -6.544 7 HD11 LEU 64 HD12 LEU 64 -3.552 -20.048 -7.568 8 HD13 LEU 64 HD13 LEU 64 -3.355 -19.950 -5.799 9 HD21 LEU 64 HD21 LEU 64 -5.110 -21.836 -8.557 10 HD23 LEU 64 HD22 LEU 64 -6.384 -21.253 -7.460 11 HD22 LEU 64 HD23 LEU 64 -5.912 -22.958 -7.432 No H/Q in entry = 11 Start of MODEL 4 1 H LEU 65 H LEU 65 -3.210 -25.463 -6.306 2 HA LEU 65 HA LEU 65 -0.343 -26.221 -6.512 3 HB2 LEU 65 1HB LEU 65 -1.542 -27.396 -4.606 4 HB3 LEU 65 2HB LEU 65 -2.689 -28.025 -5.789 5 HG LEU 65 HG LEU 65 -0.618 -29.038 -6.997 6 HD11 LEU 65 HD11 LEU 65 0.624 -28.462 -4.271 7 HD13 LEU 65 HD12 LEU 65 1.147 -27.764 -5.826 8 HD12 LEU 65 HD13 LEU 65 1.308 -29.496 -5.528 9 HD22 LEU 65 HD21 LEU 65 -0.639 -31.002 -5.520 10 HD21 LEU 65 HD22 LEU 65 -2.277 -30.359 -5.687 11 HD23 LEU 65 HD23 LEU 65 -1.352 -30.037 -4.208 No H/Q in entry = 11 Start of MODEL 4 1 H TYR 66 H TYR 66 0.065 -26.262 -8.676 2 HA TYR 66 HA TYR 66 -2.156 -26.829 -10.569 3 HB2 TYR 66 1HB TYR 66 0.541 -25.501 -10.978 4 HB3 TYR 66 2HB TYR 66 -0.617 -25.857 -12.249 5 HD1 TYR 66 HD1 TYR 66 -0.086 -23.852 -9.121 6 HD2 TYR 66 HD2 TYR 66 -2.366 -24.335 -12.737 7 HE1 TYR 66 HE1 TYR 66 -1.034 -21.580 -8.839 8 HE2 TYR 66 HE2 TYR 66 -3.326 -22.074 -12.443 9 HH TYR 66 HH TYR 66 -2.393 -19.947 -9.714 No H/Q in entry = 9 Start of MODEL 4 1 H TYR 67 H TYR 67 -2.160 -29.045 -10.190 2 HA TYR 67 HA TYR 67 0.351 -30.582 -10.442 3 HB2 TYR 67 1HB TYR 67 -0.823 -32.401 -9.429 4 HB3 TYR 67 2HB TYR 67 -0.704 -30.958 -8.439 5 HD1 TYR 67 HD1 TYR 67 -2.693 -29.572 -7.952 6 HD2 TYR 67 HD2 TYR 67 -3.011 -33.414 -9.845 7 HE1 TYR 67 HE1 TYR 67 -5.130 -29.578 -7.509 8 HE2 TYR 67 HE2 TYR 67 -5.457 -33.390 -9.485 9 HH TYR 67 HH TYR 67 -7.270 -32.182 -8.722 No H/Q in entry = 9 Start of MODEL 4 1 H THR 68 H THR 68 0.467 -30.427 -12.812 2 HA THR 68 HA THR 68 -1.530 -31.940 -14.348 3 HB THR 68 HB THR 68 -0.405 -30.054 -15.390 4 HG1 THR 68 HG1 THR 68 0.023 -31.181 -17.296 5 HG23 THR 68 HG21 THR 68 1.948 -30.244 -16.138 6 HG22 THR 68 HG22 THR 68 2.126 -31.779 -15.290 7 HG21 THR 68 HG23 THR 68 1.864 -30.273 -14.376 No H/Q in entry = 7 Start of MODEL 4 1 H GLU 69 H GLU 69 -1.205 -33.956 -15.315 2 HA GLU 69 HA GLU 69 0.553 -35.784 -13.843 3 HB2 GLU 69 1HB GLU 69 -1.824 -36.288 -14.231 4 HB3 GLU 69 2HB GLU 69 -1.540 -36.339 -15.979 5 HG2 GLU 69 1HG GLU 69 0.124 -38.130 -15.653 6 HG3 GLU 69 2HG GLU 69 -0.135 -38.088 -13.898 No H/Q in entry = 6 Start of MODEL 4 1 H PHE 70 H PHE 70 2.592 -35.108 -14.583 2 HA PHE 70 HA PHE 70 3.235 -35.157 -17.452 3 HB2 PHE 70 1HB PHE 70 5.140 -34.035 -16.924 4 HB3 PHE 70 2HB PHE 70 4.023 -33.404 -15.736 5 HD1 PHE 70 HD1 PHE 70 7.211 -34.989 -16.271 6 HD2 PHE 70 HD2 PHE 70 4.083 -34.612 -13.369 7 HE1 PHE 70 HE1 PHE 70 8.852 -35.393 -14.469 8 HE2 PHE 70 HE2 PHE 70 5.728 -35.065 -11.546 9 HZ PHE 70 HZ PHE 70 8.099 -35.435 -12.094 No H/Q in entry = 9 Start of MODEL 4 1 H THR 71 H THR 71 4.289 -36.858 -18.445 2 HA THR 71 HA THR 71 5.072 -39.180 -16.787 3 HB THR 71 HB THR 71 4.565 -39.005 -19.739 4 HG1 THR 71 HG1 THR 71 2.987 -39.854 -17.541 5 HG22 THR 71 HG21 THR 71 4.403 -41.484 -19.485 6 HG21 THR 71 HG22 THR 71 4.902 -41.344 -17.788 7 HG23 THR 71 HG23 THR 71 6.033 -40.914 -19.086 No H/Q in entry = 7 Start of MODEL 4 1 HA PRO 72 HA PRO 72 9.271 -37.529 -17.903 2 HB2 PRO 72 1HB PRO 72 10.706 -38.588 -15.834 3 HB3 PRO 72 2HB PRO 72 9.691 -37.134 -15.691 4 HG2 PRO 72 1HG PRO 72 8.944 -39.973 -14.940 5 HG3 PRO 72 2HG PRO 72 8.749 -38.486 -13.965 6 HD2 PRO 72 1HD PRO 72 6.713 -39.531 -15.430 7 HD3 PRO 72 2HD PRO 72 6.923 -37.767 -15.266 No H/Q in entry = 7 Start of MODEL 4 1 H THR 73 H THR 73 9.123 -38.821 -19.790 2 HA THR 73 HA THR 73 10.058 -41.607 -19.738 3 HB THR 73 HB THR 73 9.371 -39.729 -22.046 4 HG1 THR 73 HG1 THR 73 7.612 -40.261 -20.762 5 HG21 THR 73 HG21 THR 73 9.841 -42.745 -21.997 6 HG23 THR 73 HG22 THR 73 10.932 -41.556 -22.742 7 HG22 THR 73 HG23 THR 73 9.302 -41.787 -23.392 No H/Q in entry = 7 Start of MODEL 4 1 H GLU 74 H GLU 74 11.171 -38.881 -21.782 2 HA GLU 74 HA GLU 74 13.704 -38.504 -20.626 3 HB2 GLU 74 1HB GLU 74 13.888 -40.903 -21.804 4 HB3 GLU 74 2HB GLU 74 13.953 -39.950 -23.283 5 HG2 GLU 74 1HG GLU 74 15.909 -38.668 -22.178 6 HG3 GLU 74 2HG GLU 74 15.820 -39.849 -20.870 No H/Q in entry = 6 Start of MODEL 4 1 H LYS 75 H LYS 75 14.888 -36.902 -21.925 2 HA LYS 75 HA LYS 75 15.268 -35.222 -23.326 3 HB2 LYS 75 1HB LYS 75 12.965 -36.277 -25.042 4 HB3 LYS 75 2HB LYS 75 13.818 -34.778 -25.329 5 HG2 LYS 75 1HG LYS 75 14.825 -36.293 -26.733 6 HG3 LYS 75 2HG LYS 75 15.988 -36.014 -25.433 7 HD2 LYS 75 1HD LYS 75 15.264 -38.176 -24.390 8 HD3 LYS 75 2HD LYS 75 14.156 -38.446 -25.744 9 HE2 LYS 75 1HE LYS 75 17.196 -38.161 -25.902 10 HE3 LYS 75 2HE LYS 75 16.297 -39.687 -25.977 11 HZ1 LYS 75 1HZ LYS 75 16.080 -37.503 -27.918 12 HZ3 LYS 75 2HZ LYS 75 15.265 -38.937 -27.974 13 HZ2 LYS 75 3HZ LYS 75 16.907 -38.911 -28.129 No H/Q in entry = 13 Start of MODEL 4 1 H ASP 76 H ASP 76 11.783 -35.579 -22.615 2 HA ASP 76 HA ASP 76 11.168 -32.855 -22.944 3 HB2 ASP 76 1HB ASP 76 9.553 -34.735 -22.973 4 HB3 ASP 76 2HB ASP 76 9.725 -34.908 -21.223 No H/Q in entry = 4 Start of MODEL 4 1 H GLU 77 H GLU 77 11.789 -31.159 -21.765 2 HA GLU 77 HA GLU 77 12.444 -31.446 -18.881 3 HB2 GLU 77 1HB GLU 77 13.390 -29.198 -19.074 4 HB3 GLU 77 2HB GLU 77 14.231 -30.419 -20.024 5 HG2 GLU 77 1HG GLU 77 12.189 -28.535 -21.285 6 HG3 GLU 77 2HG GLU 77 13.882 -28.103 -21.068 No H/Q in entry = 6 Start of MODEL 4 1 H TYR 78 H TYR 78 11.116 -30.709 -17.402 2 HA TYR 78 HA TYR 78 8.515 -29.609 -18.245 3 HB2 TYR 78 1HB TYR 78 9.475 -30.904 -15.676 4 HB3 TYR 78 2HB TYR 78 7.823 -30.392 -16.013 5 HD1 TYR 78 HD1 TYR 78 6.548 -31.424 -17.926 6 HD2 TYR 78 HD2 TYR 78 10.364 -32.973 -16.653 7 HE1 TYR 78 HE1 TYR 78 6.145 -33.498 -19.215 8 HE2 TYR 78 HE2 TYR 78 9.973 -35.027 -17.979 9 HH TYR 78 HH TYR 78 8.505 -36.177 -19.349 No H/Q in entry = 9 Start of MODEL 4 1 H ALA 79 H ALA 79 7.710 -27.661 -17.564 2 HA ALA 79 HA ALA 79 9.079 -26.104 -15.508 3 HB3 ALA 79 1HB ALA 79 9.057 -25.246 -18.441 4 HB2 ALA 79 2HB ALA 79 9.533 -24.211 -17.081 5 HB1 ALA 79 3HB ALA 79 10.496 -25.648 -17.481 No H/Q in entry = 5 Start of MODEL 4 1 H CYS 80 H CYS 80 7.556 -25.195 -14.350 2 HA CYS 80 HA CYS 80 4.973 -24.395 -15.488 3 HB2 CYS 80 1HB CYS 80 6.144 -24.355 -12.723 4 HB3 CYS 80 2HB CYS 80 4.715 -23.396 -13.129 No H/Q in entry = 4 Start of MODEL 4 1 H ARG 81 H ARG 81 4.620 -22.571 -16.411 2 HA ARG 81 HA ARG 81 6.789 -20.617 -16.794 3 HB2 ARG 81 1HB ARG 81 5.736 -21.856 -18.673 4 HB3 ARG 81 2HB ARG 81 4.172 -21.174 -18.205 5 HG2 ARG 81 1HG ARG 81 5.184 -18.871 -18.604 6 HG3 ARG 81 2HG ARG 81 6.581 -19.703 -19.311 7 HD2 ARG 81 1HD ARG 81 5.167 -20.730 -21.019 8 HD3 ARG 81 2HD ARG 81 3.718 -20.149 -20.213 9 HE ARG 81 HE ARG 81 3.923 -18.088 -21.108 10 HH12 ARG 81 HH11 ARG 81 7.552 -18.643 -22.846 11 HH11 ARG 81 HH12 ARG 81 6.968 -19.835 -21.710 12 HH21 ARG 81 HH21 ARG 81 4.718 -16.551 -22.570 13 HH22 ARG 81 HH22 ARG 81 6.273 -16.774 -23.336 No H/Q in entry = 13 Start of MODEL 4 1 H VAL 82 H VAL 82 6.478 -19.524 -14.710 2 HA VAL 82 HA VAL 82 3.768 -18.750 -13.947 3 HB VAL 82 HB VAL 82 6.392 -18.326 -12.475 4 HG11 VAL 82 HG11 VAL 82 4.495 -16.902 -11.699 5 HG12 VAL 82 HG12 VAL 82 3.506 -18.367 -11.533 6 HG13 VAL 82 HG13 VAL 82 4.937 -18.139 -10.510 7 HG22 VAL 82 HG21 VAL 82 6.083 -20.724 -12.852 8 HG23 VAL 82 HG22 VAL 82 5.722 -20.326 -11.172 9 HG21 VAL 82 HG23 VAL 82 4.393 -20.615 -12.312 No H/Q in entry = 9 Start of MODEL 4 1 H ASN 83 H ASN 83 3.084 -17.116 -15.326 2 HA ASN 83 HA ASN 83 4.613 -14.554 -15.389 3 HB2 ASN 83 1HB ASN 83 2.039 -15.381 -16.777 4 HB3 ASN 83 2HB ASN 83 2.839 -13.816 -16.917 5 HD21 ASN 83 HD21 ASN 83 3.096 -17.290 -17.666 6 HD22 ASN 83 HD22 ASN 83 4.236 -17.099 -18.980 No H/Q in entry = 6 Start of MODEL 4 1 H HIS 84 H HIS 84 3.940 -12.855 -14.142 2 HA HIS 84 HA HIS 84 1.261 -12.826 -12.935 3 HB2 HIS 84 1HB HIS 84 2.832 -13.951 -11.285 4 HB3 HIS 84 2HB HIS 84 3.807 -12.480 -11.288 5 HD2 HIS 84 HD2 HIS 84 -0.147 -12.736 -10.902 6 HE1 HIS 84 HE1 HIS 84 1.483 -10.866 -7.486 7 HE2 HIS 84 HE2 HIS 84 -0.689 -11.542 -8.648 No H/Q in entry = 7 Start of MODEL 4 1 H VAL 85 H VAL 85 0.700 -10.632 -12.205 2 HA VAL 85 HA VAL 85 1.480 -8.694 -14.080 3 HB VAL 85 HB VAL 85 -0.683 -8.790 -12.881 4 HG13 VAL 85 HG11 VAL 85 -0.961 -7.798 -10.692 5 HG11 VAL 85 HG12 VAL 85 0.191 -9.138 -10.556 6 HG12 VAL 85 HG13 VAL 85 0.769 -7.457 -10.554 7 HG23 VAL 85 HG21 VAL 85 0.729 -6.096 -12.684 8 HG21 VAL 85 HG22 VAL 85 0.010 -6.788 -14.153 9 HG22 VAL 85 HG23 VAL 85 -1.018 -6.376 -12.769 No H/Q in entry = 9 Start of MODEL 4 1 H THR 86 H THR 86 2.822 -9.418 -10.880 2 HA THR 86 HA THR 86 4.416 -7.056 -10.591 3 HB THR 86 HB THR 86 5.726 -8.406 -9.012 4 HG1 THR 86 HG1 THR 86 4.005 -10.548 -9.687 5 HG21 THR 86 HG21 THR 86 3.593 -7.347 -8.305 6 HG23 THR 86 HG22 THR 86 3.961 -8.826 -7.389 7 HG22 THR 86 HG23 THR 86 2.728 -8.848 -8.666 No H/Q in entry = 7 Start of MODEL 4 1 H LEU 87 H LEU 87 4.959 -10.201 -12.219 2 HA LEU 87 HA LEU 87 7.706 -9.518 -12.990 3 HB2 LEU 87 1HB LEU 87 5.950 -11.807 -13.926 4 HB3 LEU 87 2HB LEU 87 7.702 -11.698 -14.056 5 HG LEU 87 HG LEU 87 6.190 -11.893 -11.408 6 HD13 LEU 87 HD11 LEU 87 5.922 -13.919 -12.746 7 HD12 LEU 87 HD12 LEU 87 7.003 -14.215 -11.373 8 HD11 LEU 87 HD13 LEU 87 7.677 -14.008 -13.006 9 HD23 LEU 87 HD21 LEU 87 8.444 -12.412 -10.495 10 HD22 LEU 87 HD22 LEU 87 8.374 -10.775 -11.161 11 HD21 LEU 87 HD23 LEU 87 9.162 -12.075 -12.085 No H/Q in entry = 11 Start of MODEL 4 1 H SER 88 H SER 88 8.164 -10.037 -15.409 2 HA SER 88 HA SER 88 6.163 -8.797 -17.249 3 HB2 SER 88 1HB SER 88 9.167 -8.260 -17.145 4 HB3 SER 88 2HB SER 88 8.065 -7.736 -18.436 5 HG SER 88 HG SER 88 8.366 -6.109 -16.889 No H/Q in entry = 5 Start of MODEL 4 1 H GLN 89 H GLN 89 9.187 -10.691 -16.931 2 HA GLN 89 HA GLN 89 8.704 -12.090 -19.457 3 HB2 GLN 89 1HB GLN 89 10.907 -12.299 -17.362 4 HB3 GLN 89 2HB GLN 89 10.891 -13.169 -18.906 5 HG2 GLN 89 1HG GLN 89 10.802 -10.997 -20.121 6 HG3 GLN 89 2HG GLN 89 10.925 -10.133 -18.578 7 HE21 GLN 89 HE21 GLN 89 12.772 -9.742 -20.652 8 HE22 GLN 89 HE22 GLN 89 14.328 -10.356 -20.139 No H/Q in entry = 8 Start of MODEL 4 1 HA PRO 90 HA PRO 90 6.779 -15.614 -17.415 2 HB2 PRO 90 1HB PRO 90 7.479 -17.664 -19.072 3 HB3 PRO 90 2HB PRO 90 6.303 -16.412 -19.559 4 HG2 PRO 90 1HG PRO 90 9.251 -16.535 -20.230 5 HG3 PRO 90 2HG PRO 90 7.889 -16.232 -21.340 6 HD2 PRO 90 1HD PRO 90 9.346 -14.203 -20.291 7 HD3 PRO 90 2HD PRO 90 7.580 -14.035 -20.508 No H/Q in entry = 7 Start of MODEL 4 1 H LYS 91 H LYS 91 7.598 -16.441 -15.528 2 HA LYS 91 HA LYS 91 10.466 -16.907 -15.233 3 HB2 LYS 91 1HB LYS 91 9.200 -15.935 -13.405 4 HB3 LYS 91 2HB LYS 91 8.112 -17.321 -13.376 5 HG2 LYS 91 1HG LYS 91 9.674 -17.456 -11.559 6 HG3 LYS 91 2HG LYS 91 9.959 -18.798 -12.668 7 HD2 LYS 91 1HD LYS 91 11.910 -17.723 -13.614 8 HD3 LYS 91 2HD LYS 91 11.598 -16.224 -12.718 9 HE2 LYS 91 1HE LYS 91 12.231 -18.929 -11.443 10 HE3 LYS 91 2HE LYS 91 13.412 -17.642 -11.741 11 HZ3 LYS 91 1HZ LYS 91 12.622 -17.569 -9.516 12 HZ2 LYS 91 2HZ LYS 91 11.058 -17.411 -10.008 13 HZ1 LYS 91 3HZ LYS 91 12.144 -16.211 -10.319 No H/Q in entry = 13 Start of MODEL 4 1 H ILE 92 H ILE 92 11.075 -18.569 -16.548 2 HA ILE 92 HA ILE 92 9.592 -21.068 -16.792 3 HB ILE 92 HB ILE 92 12.430 -20.375 -17.655 4 HG13 ILE 92 HG12 ILE 92 11.491 -20.009 -19.913 5 HG21 ILE 92 HG21 ILE 92 11.963 -22.803 -17.586 6 HG22 ILE 92 HG22 ILE 92 10.526 -22.568 -18.590 7 HG23 ILE 92 HG23 ILE 92 12.138 -22.228 -19.248 8 HD12 ILE 92 HD11 ILE 92 8.800 -19.757 -18.498 9 HD13 ILE 92 HD12 ILE 92 9.156 -19.367 -20.186 10 HD11 ILE 92 HD13 ILE 92 9.226 -21.051 -19.644 11 HG12 ILE 92 HG11 ILE 92 11.053 -18.772 -18.745 No H/Q in entry = 11 Start of MODEL 4 1 H VAL 93 H VAL 93 9.376 -21.754 -14.629 2 HA VAL 93 HA VAL 93 11.651 -22.047 -12.884 3 HB VAL 93 HB VAL 93 8.910 -23.383 -12.775 4 HG12 VAL 93 HG11 VAL 93 9.553 -23.577 -10.324 5 HG13 VAL 93 HG12 VAL 93 10.486 -24.616 -11.391 6 HG11 VAL 93 HG13 VAL 93 11.195 -23.109 -10.766 7 HG22 VAL 93 HG21 VAL 93 8.359 -21.630 -11.147 8 HG23 VAL 93 HG22 VAL 93 9.958 -20.883 -11.377 9 HG21 VAL 93 HG23 VAL 93 8.766 -20.898 -12.695 No H/Q in entry = 9 Start of MODEL 4 1 H LYS 94 H LYS 94 12.909 -23.854 -12.519 2 HA LYS 94 HA LYS 94 12.756 -26.044 -14.551 3 HB2 LYS 94 1HB LYS 94 15.074 -25.099 -12.826 4 HB3 LYS 94 2HB LYS 94 15.083 -26.426 -14.004 5 HG2 LYS 94 1HG LYS 94 14.493 -24.778 -15.813 6 HG3 LYS 94 2HG LYS 94 14.529 -23.482 -14.610 7 HD2 LYS 94 1HD LYS 94 16.604 -23.398 -15.737 8 HD3 LYS 94 2HD LYS 94 16.923 -24.036 -14.115 9 HE2 LYS 94 1HE LYS 94 17.059 -26.339 -15.049 10 HE3 LYS 94 2HE LYS 94 16.644 -25.713 -16.659 11 HZ1 LYS 94 1HZ LYS 94 18.657 -24.437 -16.595 12 HZ3 LYS 94 2HZ LYS 94 18.977 -26.042 -16.393 13 HZ2 LYS 94 3HZ LYS 94 19.028 -25.022 -15.098 No H/Q in entry = 13 Start of MODEL 4 1 H TRP 95 H TRP 95 11.390 -27.521 -13.669 2 HA TRP 95 HA TRP 95 10.948 -28.209 -11.022 3 HB2 TRP 95 1HB TRP 95 9.558 -29.115 -12.779 4 HB3 TRP 95 2HB TRP 95 10.938 -29.830 -13.578 5 HD1 TRP 95 HD1 TRP 95 9.583 -30.300 -9.942 6 HE1 TRP 95 HE1 TRP 95 9.644 -32.798 -9.385 7 HE3 TRP 95 HE3 TRP 95 11.294 -32.072 -14.408 8 HZ2 TRP 95 HZ2 TRP 95 10.382 -35.251 -10.690 9 HZ3 TRP 95 HZ3 TRP 95 11.717 -34.510 -14.709 10 HH2 TRP 95 HH2 TRP 95 11.273 -36.095 -12.850 No H/Q in entry = 10 Start of MODEL 4 1 H ASP 96 H ASP 96 12.293 -28.942 -9.506 2 HA ASP 96 HA ASP 96 14.863 -30.207 -10.180 3 HB2 ASP 96 1HB ASP 96 14.647 -28.483 -8.389 4 HB3 ASP 96 2HB ASP 96 13.651 -29.613 -7.455 No H/Q in entry = 4 Start of MODEL 4 1 H ARG 97 H ARG 97 15.237 -32.338 -10.065 2 HA ARG 97 HA ARG 97 13.068 -34.239 -9.578 3 HB2 ARG 97 1HB ARG 97 15.006 -35.892 -10.090 4 HB3 ARG 97 2HB ARG 97 14.237 -34.937 -11.349 5 HG2 ARG 97 1HG ARG 97 16.628 -35.049 -11.690 6 HG3 ARG 97 2HG ARG 97 16.085 -33.392 -11.487 7 HD2 ARG 97 1HD ARG 97 16.910 -33.513 -9.070 8 HD3 ARG 97 2HD ARG 97 17.510 -35.137 -9.432 9 HE ARG 97 HE ARG 97 19.247 -34.252 -10.658 10 HH12 ARG 97 HH11 ARG 97 18.080 -30.373 -10.299 11 HH11 ARG 97 HH12 ARG 97 16.968 -31.633 -9.840 12 HH21 ARG 97 HH21 ARG 97 20.682 -32.574 -11.224 13 HH22 ARG 97 HH22 ARG 97 20.188 -30.903 -11.081 No H/Q in entry = 13 Start of MODEL 4 1 H ASP 98 H ASP 98 12.778 -33.460 -7.341 2 HA ASP 98 HA ASP 98 14.670 -33.659 -5.310 3 HB2 ASP 98 1HB ASP 98 11.666 -34.161 -5.125 4 HB3 ASP 98 2HB ASP 98 12.736 -33.764 -3.773 No H/Q in entry = 4 Start of MODEL 4 1 H MET 99 H MET 99 12.380 -36.140 -6.480 2 HA MET 99 HA MET 99 14.155 -38.304 -5.683 3 HB2 MET 99 1HB MET 99 12.400 -39.483 -4.382 4 HB3 MET 99 2HB MET 99 12.972 -38.008 -3.593 5 HG2 MET 99 1HG MET 99 10.953 -36.794 -4.411 6 HG3 MET 99 2HG MET 99 10.403 -38.266 -5.215 7 HE3 MET 99 1HE MET 99 11.926 -37.655 -1.509 8 HE1 MET 99 2HE MET 99 10.867 -36.297 -1.956 9 HE2 MET 99 3HE MET 99 10.371 -37.433 -0.681 No H/Q in entry = 9 Start of MODEL 5 1 H1 MET 0 2H MET 0 -0.858 -1.769 0.719 2 H2 MET 0 3H MET 0 0.129 -0.584 0.143 3 H3 MET 0 1H MET 0 -1.467 -0.605 -0.281 4 HA MET 0 HA MET 0 -1.216 -2.606 -1.468 5 HB2 MET 0 1HB MET 0 -0.868 -0.475 -2.633 6 HB3 MET 0 2HB MET 0 0.859 -0.519 -2.251 7 HG2 MET 0 1HG MET 0 1.136 -2.552 -3.592 8 HG3 MET 0 2HG MET 0 -0.603 -2.622 -3.911 9 HE3 MET 0 1HE MET 0 -1.734 -1.438 -5.946 10 HE1 MET 0 2HE MET 0 -1.688 -0.054 -4.827 11 HE2 MET 0 3HE MET 0 -1.179 0.150 -6.516 No H/Q in entry = 11 Start of MODEL 5 1 H ILE 1 H ILE 1 0.007 -4.399 -2.089 2 HA ILE 1 HA ILE 1 2.710 -4.794 -1.007 3 HB ILE 1 HB ILE 1 1.507 -5.459 0.894 4 HG13 ILE 1 HG12 ILE 1 1.978 -8.016 -0.699 5 HG23 ILE 1 HG21 ILE 1 -0.392 -6.985 0.960 6 HG21 ILE 1 HG22 ILE 1 -0.793 -5.546 0.027 7 HG22 ILE 1 HG23 ILE 1 -0.434 -7.073 -0.805 8 HD13 ILE 1 HD11 ILE 1 4.058 -6.695 -0.606 9 HD11 ILE 1 HD12 ILE 1 3.811 -6.394 1.131 10 HD12 ILE 1 HD13 ILE 1 4.151 -8.035 0.547 11 HG12 ILE 1 HG11 ILE 1 1.805 -7.895 1.050 No H/Q in entry = 11 Start of MODEL 5 1 H GLN 2 H GLN 2 3.691 -5.238 -2.878 2 HA GLN 2 HA GLN 2 2.375 -6.928 -4.910 3 HB2 GLN 2 1HB GLN 2 4.869 -5.197 -4.947 4 HB3 GLN 2 2HB GLN 2 4.294 -6.179 -6.305 5 HG2 GLN 2 1HG GLN 2 2.090 -4.990 -6.212 6 HG3 GLN 2 2HG GLN 2 2.750 -3.928 -4.960 7 HE21 GLN 2 HE21 GLN 2 3.038 -4.923 -8.383 8 HE22 GLN 2 HE22 GLN 2 3.855 -3.472 -8.919 No H/Q in entry = 8 Start of MODEL 5 1 H ARG 3 H ARG 3 2.664 -8.622 -3.051 2 HA ARG 3 HA ARG 3 5.199 -9.886 -2.726 3 HB2 ARG 3 1HB ARG 3 2.958 -9.978 -1.347 4 HB3 ARG 3 2HB ARG 3 2.553 -11.319 -2.423 5 HG2 ARG 3 1HG ARG 3 4.711 -12.430 -1.731 6 HG3 ARG 3 2HG ARG 3 5.008 -11.081 -0.616 7 HD2 ARG 3 1HD ARG 3 2.670 -13.028 -0.525 8 HD3 ARG 3 2HD ARG 3 4.056 -12.996 0.577 9 HE ARG 3 HE ARG 3 2.857 -10.458 0.716 10 HH12 ARG 3 HH11 ARG 3 0.758 -13.408 2.566 11 HH11 ARG 3 HH12 ARG 3 2.040 -13.830 1.455 12 HH21 ARG 3 HH21 ARG 3 1.185 -9.922 2.225 13 HH22 ARG 3 HH22 ARG 3 0.300 -11.198 3.027 No H/Q in entry = 13 Start of MODEL 5 1 H THR 4 H THR 4 6.119 -11.609 -3.814 2 HA THR 4 HA THR 4 5.101 -12.229 -6.501 3 HB THR 4 HB THR 4 7.425 -13.344 -6.639 4 HG1 THR 4 HG1 THR 4 7.842 -11.852 -4.278 5 HG22 THR 4 HG21 THR 4 8.567 -11.185 -6.910 6 HG21 THR 4 HG22 THR 4 7.257 -10.359 -6.036 7 HG23 THR 4 HG23 THR 4 6.939 -11.136 -7.603 No H/Q in entry = 7 Start of MODEL 5 1 HA PRO 5 HA PRO 5 3.814 -16.398 -5.449 2 HB2 PRO 5 1HB PRO 5 4.651 -17.844 -7.656 3 HB3 PRO 5 2HB PRO 5 3.228 -16.775 -7.643 4 HG2 PRO 5 1HG PRO 5 6.014 -16.137 -8.624 5 HG3 PRO 5 2HG PRO 5 4.458 -15.801 -9.436 6 HD2 PRO 5 1HD PRO 5 5.743 -13.885 -8.044 7 HD3 PRO 5 2HD PRO 5 3.971 -14.017 -7.948 No H/Q in entry = 7 Start of MODEL 5 1 H LYS 6 H LYS 6 4.865 -17.491 -3.863 2 HA LYS 6 HA LYS 6 7.766 -17.965 -3.932 3 HB2 LYS 6 1HB LYS 6 5.643 -18.925 -1.992 4 HB3 LYS 6 2HB LYS 6 7.387 -19.082 -1.795 5 HG2 LYS 6 1HG LYS 6 5.822 -16.454 -1.868 6 HG3 LYS 6 2HG LYS 6 6.427 -17.294 -0.444 7 HD2 LYS 6 1HD LYS 6 8.180 -15.908 -0.617 8 HD3 LYS 6 2HD LYS 6 8.773 -17.069 -1.811 9 HE2 LYS 6 1HE LYS 6 7.723 -15.641 -3.616 10 HE3 LYS 6 2HE LYS 6 7.165 -14.523 -2.357 11 HZ3 LYS 6 1HZ LYS 6 9.150 -13.773 -3.372 12 HZ2 LYS 6 2HZ LYS 6 9.960 -15.151 -2.958 13 HZ1 LYS 6 3HZ LYS 6 9.433 -14.120 -1.784 No H/Q in entry = 13 Start of MODEL 5 1 H ILE 7 H ILE 7 7.827 -19.080 -5.916 2 HA ILE 7 HA ILE 7 6.386 -21.324 -6.693 3 HB ILE 7 HB ILE 7 8.444 -21.808 -8.107 4 HG13 ILE 7 HG12 ILE 7 9.961 -20.431 -6.338 5 HG21 ILE 7 HG21 ILE 7 7.081 -19.092 -8.187 6 HG22 ILE 7 HG22 ILE 7 8.095 -19.722 -9.493 7 HG23 ILE 7 HG23 ILE 7 6.626 -20.591 -9.030 8 HD13 ILE 7 HD11 ILE 7 11.632 -20.150 -8.055 9 HD11 ILE 7 HD12 ILE 7 10.787 -21.688 -8.282 10 HD12 ILE 7 HD13 ILE 7 10.402 -20.302 -9.330 11 HG12 ILE 7 HG11 ILE 7 9.488 -19.079 -7.360 No H/Q in entry = 11 Start of MODEL 5 1 H GLN 8 H GLN 8 6.306 -23.390 -6.097 2 HA GLN 8 HA GLN 8 8.738 -24.778 -5.108 3 HB2 GLN 8 1HB GLN 8 6.003 -24.764 -3.767 4 HB3 GLN 8 2HB GLN 8 7.190 -26.044 -3.510 5 HG2 GLN 8 1HG GLN 8 7.611 -23.086 -2.885 6 HG3 GLN 8 2HG GLN 8 7.197 -24.339 -1.717 7 HE21 GLN 8 HE21 GLN 8 8.747 -26.369 -1.836 8 HE22 GLN 8 HE22 GLN 8 10.453 -25.982 -1.893 No H/Q in entry = 8 Start of MODEL 5 1 H VAL 9 H VAL 9 8.887 -25.552 -7.243 2 HA VAL 9 HA VAL 9 6.619 -27.056 -8.383 3 HB VAL 9 HB VAL 9 9.304 -26.452 -9.580 4 HG12 VAL 9 HG11 VAL 9 6.631 -27.203 -10.856 5 HG13 VAL 9 HG12 VAL 9 8.145 -26.875 -11.722 6 HG11 VAL 9 HG13 VAL 9 8.017 -28.295 -10.678 7 HG21 VAL 9 HG21 VAL 9 6.705 -24.889 -9.813 8 HG22 VAL 9 HG22 VAL 9 8.213 -24.309 -9.086 9 HG23 VAL 9 HG23 VAL 9 8.134 -24.642 -10.827 No H/Q in entry = 9 Start of MODEL 5 1 H TYR 10 H TYR 10 6.699 -28.792 -6.898 2 HA TYR 10 HA TYR 10 8.972 -30.700 -7.131 3 HB2 TYR 10 1HB TYR 10 8.131 -31.764 -5.219 4 HB3 TYR 10 2HB TYR 10 8.338 -30.047 -4.949 5 HD1 TYR 10 HD1 TYR 10 6.329 -28.562 -4.652 6 HD2 TYR 10 HD2 TYR 10 5.995 -32.846 -4.989 7 HE1 TYR 10 HE1 TYR 10 4.042 -28.464 -3.698 8 HE2 TYR 10 HE2 TYR 10 3.717 -32.746 -4.033 9 HH TYR 10 HH TYR 10 2.000 -31.386 -3.337 No H/Q in entry = 9 Start of MODEL 5 1 H SER 11 H SER 11 8.621 -32.915 -7.699 2 HA SER 11 HA SER 11 6.121 -33.640 -9.107 3 HB2 SER 11 1HB SER 11 7.288 -35.825 -9.408 4 HB3 SER 11 2HB SER 11 8.008 -34.430 -10.206 5 HG SER 11 HG SER 11 9.544 -35.753 -9.090 No H/Q in entry = 5 Start of MODEL 5 1 H ARG 12 H ARG 12 4.490 -34.665 -8.017 2 HA ARG 12 HA ARG 12 4.440 -35.077 -5.246 3 HB2 ARG 12 1HB ARG 12 2.401 -34.894 -6.665 4 HB3 ARG 12 2HB ARG 12 2.799 -36.422 -7.441 5 HG2 ARG 12 1HG ARG 12 1.049 -36.735 -5.807 6 HG3 ARG 12 2HG ARG 12 2.489 -37.605 -5.272 7 HD2 ARG 12 1HD ARG 12 3.018 -35.775 -3.686 8 HD3 ARG 12 2HD ARG 12 1.639 -34.838 -4.307 9 HE ARG 12 HE ARG 12 0.789 -37.421 -3.404 10 HH12 ARG 12 HH11 ARG 12 1.041 -34.464 -0.625 11 HH11 ARG 12 HH12 ARG 12 1.873 -34.274 -2.148 12 HH21 ARG 12 HH21 ARG 12 -0.279 -37.649 -1.403 13 HH22 ARG 12 HH22 ARG 12 -0.184 -36.386 -0.199 No H/Q in entry = 13 Start of MODEL 5 1 H HIS 13 H HIS 13 4.718 -37.478 -7.878 2 HA HIS 13 HA HIS 13 5.567 -39.600 -6.040 3 HB2 HIS 13 1HB HIS 13 4.934 -39.531 -9.013 4 HB3 HIS 13 2HB HIS 13 5.284 -41.002 -8.099 5 HD1 HIS 13 HD1 HIS 13 3.465 -41.647 -6.209 6 HD2 HIS 13 HD2 HIS 13 2.357 -38.551 -8.807 7 HE1 HIS 13 HE1 HIS 13 0.962 -41.289 -5.940 No H/Q in entry = 7 Start of MODEL 5 1 HA PRO 14 HA PRO 14 9.904 -39.130 -7.116 2 HB2 PRO 14 1HB PRO 14 10.849 -41.698 -6.952 3 HB3 PRO 14 2HB PRO 14 10.315 -40.766 -5.522 4 HG2 PRO 14 1HG PRO 14 8.676 -42.753 -7.124 5 HG3 PRO 14 2HG PRO 14 8.935 -42.735 -5.355 6 HD2 PRO 14 1HD PRO 14 6.727 -41.631 -6.428 7 HD3 PRO 14 2HD PRO 14 7.573 -40.786 -5.100 No H/Q in entry = 7 Start of MODEL 5 1 H ALA 15 H ALA 15 11.090 -39.087 -9.025 2 HA ALA 15 HA ALA 15 9.632 -39.437 -11.412 3 HB2 ALA 15 1HB ALA 15 12.579 -38.837 -10.987 4 HB3 ALA 15 2HB ALA 15 11.675 -38.623 -12.504 5 HB1 ALA 15 3HB ALA 15 11.253 -37.661 -11.073 No H/Q in entry = 5 Start of MODEL 5 1 H GLU 16 H GLU 16 9.039 -41.608 -11.732 2 HA GLU 16 HA GLU 16 11.134 -43.649 -12.116 3 HB2 GLU 16 1HB GLU 16 8.112 -43.790 -12.410 4 HB3 GLU 16 2HB GLU 16 9.248 -45.152 -12.510 5 HG2 GLU 16 1HG GLU 16 8.458 -43.523 -10.083 6 HG3 GLU 16 2HG GLU 16 8.279 -45.254 -10.352 No H/Q in entry = 6 Start of MODEL 5 1 H ASN 17 H ASN 17 11.911 -44.259 -14.051 2 HA ASN 17 HA ASN 17 11.486 -42.704 -16.383 3 HB2 ASN 17 1HB ASN 17 13.577 -43.899 -15.807 4 HB3 ASN 17 2HB ASN 17 12.763 -45.450 -16.058 5 HD21 ASN 17 HD21 ASN 17 14.244 -42.662 -17.605 6 HD22 ASN 17 HD22 ASN 17 14.155 -43.270 -19.243 No H/Q in entry = 6 Start of MODEL 5 1 H GLY 18 H GLY 18 10.033 -42.870 -17.998 2 HA3 GLY 18 1HA GLY 18 8.337 -43.580 -19.320 3 HA2 GLY 18 2HA GLY 18 8.963 -45.221 -19.106 No H/Q in entry = 3 Start of MODEL 5 1 H LYS 19 H LYS 19 7.532 -42.906 -16.747 2 HA LYS 19 HA LYS 19 5.065 -44.398 -16.406 3 HB2 LYS 19 1HB LYS 19 6.459 -45.951 -15.207 4 HB3 LYS 19 2HB LYS 19 7.344 -44.631 -14.428 5 HG2 LYS 19 1HG LYS 19 5.407 -44.001 -13.119 6 HG3 LYS 19 2HG LYS 19 4.391 -45.198 -13.951 7 HD2 LYS 19 1HD LYS 19 5.663 -47.029 -13.011 8 HD3 LYS 19 2HD LYS 19 6.897 -45.938 -12.370 9 HE2 LYS 19 1HE LYS 19 3.985 -45.997 -11.468 10 HE3 LYS 19 2HE LYS 19 5.352 -46.736 -10.612 11 HZ3 LYS 19 1HZ LYS 19 4.857 -44.635 -9.684 12 HZ2 LYS 19 2HZ LYS 19 4.999 -43.871 -11.136 13 HZ1 LYS 19 3HZ LYS 19 6.323 -44.545 -10.431 No H/Q in entry = 13 Start of MODEL 5 1 H SER 20 H SER 20 3.593 -43.093 -15.540 2 HA SER 20 HA SER 20 4.020 -40.372 -15.718 3 HB2 SER 20 1HB SER 20 1.891 -41.544 -16.141 4 HB3 SER 20 2HB SER 20 1.671 -41.769 -14.392 5 HG SER 20 HG SER 20 1.674 -39.481 -14.207 No H/Q in entry = 5 Start of MODEL 5 1 H ASN 21 H ASN 21 3.865 -38.647 -14.352 2 HA ASN 21 HA ASN 21 4.065 -38.917 -11.423 3 HB2 ASN 21 1HB ASN 21 6.138 -37.646 -13.267 4 HB3 ASN 21 2HB ASN 21 6.007 -37.240 -11.550 5 HD21 ASN 21 HD21 ASN 21 6.641 -38.777 -9.955 6 HD22 ASN 21 HD22 ASN 21 7.508 -40.233 -10.385 No H/Q in entry = 6 Start of MODEL 5 1 H PHE 22 H PHE 22 3.120 -37.151 -10.427 2 HA PHE 22 HA PHE 22 1.712 -35.201 -12.156 3 HB2 PHE 22 1HB PHE 22 1.450 -36.066 -9.272 4 HB3 PHE 22 2HB PHE 22 0.680 -34.618 -9.902 5 HD1 PHE 22 HD1 PHE 22 -1.543 -34.814 -10.528 6 HD2 PHE 22 HD2 PHE 22 1.004 -38.283 -10.858 7 HE1 PHE 22 HE1 PHE 22 -3.440 -36.131 -11.419 8 HE2 PHE 22 HE2 PHE 22 -0.884 -39.576 -11.783 9 HZ PHE 22 HZ PHE 22 -3.107 -38.505 -12.080 No H/Q in entry = 9 Start of MODEL 5 1 H LEU 23 H LEU 23 2.603 -33.203 -12.480 2 HA LEU 23 HA LEU 23 4.784 -32.202 -10.855 3 HB2 LEU 23 1HB LEU 23 4.222 -31.693 -13.366 4 HB3 LEU 23 2HB LEU 23 3.028 -30.568 -12.721 5 HG LEU 23 HG LEU 23 4.895 -29.318 -11.587 6 HD11 LEU 23 HD11 LEU 23 6.630 -31.386 -13.024 7 HD13 LEU 23 HD12 LEU 23 6.600 -31.051 -11.277 8 HD12 LEU 23 HD13 LEU 23 7.237 -29.847 -12.395 9 HD21 LEU 23 HD21 LEU 23 5.255 -29.771 -14.575 10 HD23 LEU 23 HD22 LEU 23 5.855 -28.379 -13.648 11 HD22 LEU 23 HD23 LEU 23 4.117 -28.645 -13.805 No H/Q in entry = 11 Start of MODEL 5 1 H ASN 24 H ASN 24 4.606 -30.191 -9.522 2 HA ASN 24 HA ASN 24 1.868 -29.411 -8.663 3 HB2 ASN 24 1HB ASN 24 4.092 -30.290 -6.780 4 HB3 ASN 24 2HB ASN 24 2.543 -29.596 -6.302 5 HD21 ASN 24 HD21 ASN 24 0.544 -30.878 -6.950 6 HD22 ASN 24 HD22 ASN 24 0.678 -32.623 -6.957 No H/Q in entry = 6 Start of MODEL 5 1 H CYS 25 H CYS 25 2.587 -27.630 -10.092 2 HA CYS 25 HA CYS 25 4.775 -25.932 -9.173 3 HB2 CYS 25 1HB CYS 25 4.210 -26.089 -11.527 4 HB3 CYS 25 2HB CYS 25 2.610 -25.403 -11.233 No H/Q in entry = 4 Start of MODEL 5 1 H TYR 26 H TYR 26 4.280 -25.629 -7.013 2 HA TYR 26 HA TYR 26 1.674 -24.556 -6.230 3 HB2 TYR 26 1HB TYR 26 2.667 -26.498 -5.129 4 HB3 TYR 26 2HB TYR 26 4.048 -25.544 -4.624 5 HD1 TYR 26 HD1 TYR 26 3.918 -24.060 -2.695 6 HD2 TYR 26 HD2 TYR 26 0.396 -26.058 -4.177 7 HE1 TYR 26 HE1 TYR 26 2.762 -23.604 -0.563 8 HE2 TYR 26 HE2 TYR 26 -0.768 -25.588 -2.045 9 HH TYR 26 HH TYR 26 0.797 -23.774 0.623 No H/Q in entry = 9 Start of MODEL 5 1 H VAL 27 H VAL 27 1.625 -22.435 -6.802 2 HA VAL 27 HA VAL 27 3.849 -20.607 -6.119 3 HB VAL 27 HB VAL 27 2.485 -19.038 -7.504 4 HG13 VAL 27 HG11 VAL 27 3.220 -20.065 -9.630 5 HG11 VAL 27 HG12 VAL 27 4.454 -20.219 -8.369 6 HG12 VAL 27 HG13 VAL 27 3.455 -21.619 -8.803 7 HG21 VAL 27 HG21 VAL 27 0.289 -20.532 -7.351 8 HG22 VAL 27 HG22 VAL 27 0.723 -19.717 -8.848 9 HG23 VAL 27 HG23 VAL 27 1.065 -21.446 -8.644 No H/Q in entry = 9 Start of MODEL 5 1 H SER 28 H SER 28 3.508 -20.523 -3.766 2 HA SER 28 HA SER 28 0.855 -19.636 -2.862 3 HB2 SER 28 1HB SER 28 1.767 -19.983 -0.612 4 HB3 SER 28 2HB SER 28 1.950 -21.404 -1.661 5 HG SER 28 HG SER 28 3.837 -20.944 -0.474 No H/Q in entry = 5 Start of MODEL 5 1 H GLY 29 H GLY 29 0.252 -17.621 -2.611 2 HA3 GLY 29 1HA GLY 29 0.259 -15.551 -1.666 3 HA2 GLY 29 2HA GLY 29 1.917 -15.799 -1.140 No H/Q in entry = 3 Start of MODEL 5 1 H PHE 30 H PHE 30 0.426 -15.625 -4.453 2 HA PHE 30 HA PHE 30 2.175 -13.334 -5.135 3 HB2 PHE 30 1HB PHE 30 1.275 -13.613 -7.382 4 HB3 PHE 30 2HB PHE 30 2.143 -14.985 -6.728 5 HD1 PHE 30 HD1 PHE 30 -1.203 -13.737 -7.751 6 HD2 PHE 30 HD2 PHE 30 1.083 -17.129 -6.387 7 HE1 PHE 30 HE1 PHE 30 -3.249 -15.167 -7.803 8 HE2 PHE 30 HE2 PHE 30 -0.930 -18.571 -6.674 9 HZ PHE 30 HZ PHE 30 -3.123 -17.509 -7.080 No H/Q in entry = 9 Start of MODEL 5 1 H HIS 31 H HIS 31 1.404 -11.330 -4.682 2 HA HIS 31 HA HIS 31 -1.508 -10.908 -4.328 3 HB2 HIS 31 1HB HIS 31 0.877 -9.405 -3.338 4 HB3 HIS 31 2HB HIS 31 -0.782 -8.793 -3.269 5 HD1 HIS 31 HD1 HIS 31 -1.500 -8.961 -0.924 6 HD2 HIS 31 HD2 HIS 31 0.352 -12.474 -2.252 7 HE1 HIS 31 HE1 HIS 31 -1.788 -10.702 0.894 No H/Q in entry = 7 Start of MODEL 5 1 HA PRO 32 HA PRO 32 -3.071 -9.344 -4.556 2 HB2 PRO 32 1HB PRO 32 -5.090 -8.629 -6.199 3 HB3 PRO 32 2HB PRO 32 -3.970 -7.468 -5.435 4 HG2 PRO 32 1HG PRO 32 -3.880 -8.506 -8.269 5 HG3 PRO 32 2HG PRO 32 -3.656 -6.838 -7.695 6 HD2 PRO 32 1HD PRO 32 -1.553 -8.582 -8.253 7 HD3 PRO 32 2HD PRO 32 -1.440 -7.256 -7.065 No H/Q in entry = 7 Start of MODEL 5 1 H SER 33 H SER 33 -3.599 -10.395 -7.997 2 HA SER 33 HA SER 33 -3.856 -13.169 -7.189 3 HB2 SER 33 1HB SER 33 -6.230 -13.420 -7.828 4 HB3 SER 33 2HB SER 33 -6.032 -12.352 -6.434 5 HG SER 33 HG SER 33 -6.212 -10.583 -7.870 No H/Q in entry = 5 Start of MODEL 5 1 H ASP 34 H ASP 34 -3.219 -10.890 -9.653 2 HA ASP 34 HA ASP 34 -4.417 -12.340 -11.850 3 HB2 ASP 34 1HB ASP 34 -2.720 -9.836 -11.652 4 HB3 ASP 34 2HB ASP 34 -3.484 -10.415 -13.143 No H/Q in entry = 4 Start of MODEL 5 1 H ILE 35 H ILE 35 -2.920 -14.291 -11.143 2 HA ILE 35 HA ILE 35 -0.266 -14.135 -12.405 3 HB ILE 35 HB ILE 35 -0.561 -14.959 -10.104 4 HG13 ILE 35 HG12 ILE 35 1.384 -15.383 -11.588 5 HG23 ILE 35 HG21 ILE 35 -1.348 -17.292 -9.754 6 HG21 ILE 35 HG22 ILE 35 -2.644 -16.272 -10.378 7 HG22 ILE 35 HG23 ILE 35 -1.811 -17.410 -11.451 8 HD11 ILE 35 HD11 ILE 35 1.524 -15.874 -9.238 9 HD12 ILE 35 HD12 ILE 35 0.862 -17.509 -9.504 10 HD13 ILE 35 HD13 ILE 35 2.427 -17.056 -10.198 11 HG12 ILE 35 HG11 ILE 35 0.719 -16.980 -11.961 No H/Q in entry = 11 Start of MODEL 5 1 H GLU 36 H GLU 36 0.506 -15.703 -13.916 2 HA GLU 36 HA GLU 36 -1.539 -17.219 -15.491 3 HB2 GLU 36 1HB GLU 36 0.851 -15.686 -16.522 4 HB3 GLU 36 2HB GLU 36 -0.305 -16.598 -17.501 5 HG2 GLU 36 1HG GLU 36 -0.854 -14.053 -15.903 6 HG3 GLU 36 2HG GLU 36 -0.729 -14.195 -17.656 No H/Q in entry = 6 Start of MODEL 5 1 H VAL 37 H VAL 37 -0.958 -19.010 -14.204 2 HA VAL 37 HA VAL 37 1.768 -20.136 -14.424 3 HB VAL 37 HB VAL 37 -0.617 -21.241 -12.960 4 HG12 VAL 37 HG11 VAL 37 2.380 -21.658 -12.630 5 HG13 VAL 37 HG12 VAL 37 1.133 -22.427 -11.645 6 HG11 VAL 37 HG13 VAL 37 1.284 -22.853 -13.350 7 HG22 VAL 37 HG21 VAL 37 -0.226 -19.073 -11.998 8 HG23 VAL 37 HG22 VAL 37 0.527 -20.264 -10.940 9 HG21 VAL 37 HG23 VAL 37 1.543 -19.308 -12.030 No H/Q in entry = 9 Start of MODEL 5 1 H ASP 38 H ASP 38 1.351 -20.312 -16.832 2 HA ASP 38 HA ASP 38 -0.425 -22.541 -17.659 3 HB2 ASP 38 1HB ASP 38 0.084 -21.745 -19.943 4 HB3 ASP 38 2HB ASP 38 -0.793 -20.642 -18.888 No H/Q in entry = 4 Start of MODEL 5 1 H LEU 39 H LEU 39 1.153 -23.920 -16.336 2 HA LEU 39 HA LEU 39 3.773 -24.421 -17.112 3 HB2 LEU 39 1HB LEU 39 3.562 -26.567 -15.942 4 HB3 LEU 39 2HB LEU 39 2.929 -25.224 -15.006 5 HG LEU 39 HG LEU 39 0.890 -26.541 -16.727 6 HD13 LEU 39 HD11 LEU 39 0.639 -28.542 -15.401 7 HD12 LEU 39 HD12 LEU 39 2.003 -28.096 -14.362 8 HD11 LEU 39 HD13 LEU 39 2.282 -28.524 -16.068 9 HD22 LEU 39 HD21 LEU 39 0.210 -24.916 -15.005 10 HD21 LEU 39 HD22 LEU 39 1.088 -25.831 -13.765 11 HD23 LEU 39 HD23 LEU 39 -0.359 -26.518 -14.526 No H/Q in entry = 11 Start of MODEL 5 1 H LEU 40 H LEU 40 4.789 -26.164 -18.095 2 HA LEU 40 HA LEU 40 3.423 -27.020 -20.607 3 HB2 LEU 40 1HB LEU 40 6.287 -26.077 -20.258 4 HB3 LEU 40 2HB LEU 40 5.434 -26.365 -21.780 5 HG LEU 40 HG LEU 40 4.792 -24.143 -19.768 6 HD12 LEU 40 HD11 LEU 40 5.736 -22.645 -21.461 7 HD11 LEU 40 HD12 LEU 40 6.196 -24.042 -22.457 8 HD13 LEU 40 HD13 LEU 40 6.941 -23.798 -20.862 9 HD22 LEU 40 HD21 LEU 40 2.783 -24.849 -21.068 10 HD21 LEU 40 HD22 LEU 40 3.700 -24.662 -22.571 11 HD23 LEU 40 HD23 LEU 40 3.342 -23.249 -21.550 No H/Q in entry = 11 Start of MODEL 5 1 H LYS 41 H LYS 41 4.402 -28.804 -21.731 2 HA LYS 41 HA LYS 41 6.274 -30.493 -20.139 3 HB2 LYS 41 1HB LYS 41 5.432 -32.459 -21.263 4 HB3 LYS 41 2HB LYS 41 4.264 -31.733 -20.145 5 HG2 LYS 41 1HG LYS 41 3.171 -30.706 -22.229 6 HG3 LYS 41 2HG LYS 41 4.212 -31.766 -23.185 7 HD2 LYS 41 1HD LYS 41 2.239 -32.695 -21.068 8 HD3 LYS 41 2HD LYS 41 1.957 -32.715 -22.812 9 HE2 LYS 41 1HE LYS 41 4.104 -34.324 -21.349 10 HE3 LYS 41 2HE LYS 41 2.570 -34.937 -21.971 11 HZ3 LYS 41 1HZ LYS 41 4.332 -35.396 -23.464 12 HZ2 LYS 41 2HZ LYS 41 4.719 -33.802 -23.612 13 HZ1 LYS 41 3HZ LYS 41 3.271 -34.350 -24.169 No H/Q in entry = 13 Start of MODEL 5 1 H ASN 42 H ASN 42 8.132 -29.839 -20.923 2 HA ASN 42 HA ASN 42 9.837 -29.443 -22.331 3 HB2 ASN 42 1HB ASN 42 8.431 -31.423 -24.168 4 HB3 ASN 42 2HB ASN 42 10.147 -31.014 -24.164 5 HD21 ASN 42 HD21 ASN 42 9.392 -33.651 -24.007 6 HD22 ASN 42 HD22 ASN 42 9.717 -34.283 -22.405 No H/Q in entry = 6 Start of MODEL 5 1 H GLY 43 H GLY 43 7.684 -27.576 -22.458 2 HA3 GLY 43 1HA GLY 43 7.641 -25.584 -23.689 3 HA2 GLY 43 2HA GLY 43 8.124 -26.416 -25.162 No H/Q in entry = 3 Start of MODEL 5 1 H GLU 44 H GLU 44 5.933 -28.611 -24.460 2 HA GLU 44 HA GLU 44 3.960 -27.463 -26.192 3 HB2 GLU 44 1HB GLU 44 3.793 -29.934 -24.436 4 HB3 GLU 44 2HB GLU 44 2.729 -29.541 -25.788 5 HG2 GLU 44 1HG GLU 44 4.632 -29.692 -27.355 6 HG3 GLU 44 2HG GLU 44 5.721 -30.106 -26.019 No H/Q in entry = 6 Start of MODEL 5 1 H ARG 45 H ARG 45 2.012 -26.476 -25.717 2 HA ARG 45 HA ARG 45 1.499 -25.679 -22.984 3 HB2 ARG 45 1HB ARG 45 0.873 -24.629 -25.499 4 HB3 ARG 45 2HB ARG 45 -0.692 -25.169 -24.898 5 HG2 ARG 45 1HG ARG 45 1.275 -23.307 -23.499 6 HG3 ARG 45 2HG ARG 45 -0.232 -22.839 -24.293 7 HD2 ARG 45 1HD ARG 45 -0.024 -24.579 -21.783 8 HD3 ARG 45 2HD ARG 45 -0.438 -22.863 -21.862 9 HE ARG 45 HE ARG 45 -2.216 -24.299 -23.545 10 HH12 ARG 45 HH11 ARG 45 -3.161 -24.077 -19.599 11 HH11 ARG 45 HH12 ARG 45 -1.495 -23.856 -20.078 12 HH21 ARG 45 HH21 ARG 45 -4.369 -24.569 -22.874 13 HH22 ARG 45 HH22 ARG 45 -4.792 -24.486 -21.180 No H/Q in entry = 13 Start of MODEL 5 1 H ILE 46 H ILE 46 0.647 -27.072 -21.573 2 HA ILE 46 HA ILE 46 -0.807 -29.450 -22.350 3 HB ILE 46 HB ILE 46 -0.332 -28.198 -19.614 4 HG13 ILE 46 HG12 ILE 46 1.791 -28.672 -20.752 5 HG21 ILE 46 HG21 ILE 46 -2.204 -29.905 -19.715 6 HG22 ILE 46 HG22 ILE 46 -1.029 -31.080 -20.338 7 HG23 ILE 46 HG23 ILE 46 -0.854 -30.392 -18.705 8 HD13 ILE 46 HD11 ILE 46 2.835 -30.048 -19.163 9 HD11 ILE 46 HD12 ILE 46 1.465 -29.342 -18.284 10 HD12 ILE 46 HD13 ILE 46 1.385 -31.014 -18.900 11 HG12 ILE 46 HG11 ILE 46 1.232 -30.300 -21.162 No H/Q in entry = 11 Start of MODEL 5 1 H GLU 47 H GLU 47 -2.883 -29.257 -23.085 2 HA GLU 47 HA GLU 47 -4.658 -27.151 -22.058 3 HB2 GLU 47 1HB GLU 47 -4.407 -27.897 -24.516 4 HB3 GLU 47 2HB GLU 47 -5.348 -29.318 -24.065 5 HG2 GLU 47 1HG GLU 47 -6.839 -27.659 -24.991 6 HG3 GLU 47 2HG GLU 47 -7.181 -27.740 -23.262 No H/Q in entry = 6 Start of MODEL 5 1 H LYS 48 H LYS 48 -3.974 -28.591 -19.956 2 HA LYS 48 HA LYS 48 -6.424 -29.459 -18.869 3 HB2 LYS 48 1HB LYS 48 -5.938 -31.566 -20.164 4 HB3 LYS 48 2HB LYS 48 -4.432 -31.745 -19.257 5 HG2 LYS 48 1HG LYS 48 -5.741 -31.919 -17.151 6 HG3 LYS 48 2HG LYS 48 -7.240 -31.611 -18.046 7 HD2 LYS 48 1HD LYS 48 -6.919 -33.717 -19.288 8 HD3 LYS 48 2HD LYS 48 -5.360 -33.977 -18.466 9 HE2 LYS 48 1HE LYS 48 -6.509 -34.042 -16.275 10 HE3 LYS 48 2HE LYS 48 -8.068 -33.758 -17.074 11 HZ2 LYS 48 1HZ LYS 48 -6.319 -36.080 -17.474 12 HZ1 LYS 48 2HZ LYS 48 -7.755 -35.818 -18.246 13 HZ3 LYS 48 3HZ LYS 48 -7.726 -36.054 -16.613 No H/Q in entry = 13 Start of MODEL 5 1 H VAL 49 H VAL 49 -5.144 -27.498 -17.972 2 HA VAL 49 HA VAL 49 -3.270 -28.252 -15.806 3 HB VAL 49 HB VAL 49 -4.273 -25.653 -16.926 4 HG13 VAL 49 HG11 VAL 49 -4.124 -25.195 -14.595 5 HG11 VAL 49 HG12 VAL 49 -2.626 -26.137 -14.429 6 HG12 VAL 49 HG13 VAL 49 -2.627 -24.592 -15.312 7 HG23 VAL 49 HG21 VAL 49 -1.494 -26.897 -16.691 8 HG21 VAL 49 HG22 VAL 49 -2.467 -26.874 -18.169 9 HG22 VAL 49 HG23 VAL 49 -1.874 -25.354 -17.481 No H/Q in entry = 9 Start of MODEL 5 1 H GLU 50 H GLU 50 -3.980 -28.617 -13.816 2 HA GLU 50 HA GLU 50 -6.778 -27.954 -12.999 3 HB2 GLU 50 1HB GLU 50 -4.766 -29.967 -11.952 4 HB3 GLU 50 2HB GLU 50 -6.235 -29.526 -11.079 5 HG2 GLU 50 1HG GLU 50 -6.710 -31.525 -12.273 6 HG3 GLU 50 2HG GLU 50 -7.635 -30.206 -12.987 No H/Q in entry = 6 Start of MODEL 5 1 H HIS 51 H HIS 51 -6.682 -27.649 -10.393 2 HA HIS 51 HA HIS 51 -4.784 -25.650 -9.479 3 HB2 HIS 51 1HB HIS 51 -6.575 -23.821 -9.632 4 HB3 HIS 51 2HB HIS 51 -5.764 -24.244 -11.135 5 HD1 HIS 51 HD1 HIS 51 -7.144 -25.402 -12.994 6 HD2 HIS 51 HD2 HIS 51 -9.344 -24.597 -9.516 7 HE1 HIS 51 HE1 HIS 51 -9.590 -25.836 -13.524 No H/Q in entry = 7 Start of MODEL 5 1 H SER 52 H SER 52 -5.420 -24.848 -7.352 2 HA SER 52 HA SER 52 -7.313 -26.669 -5.951 3 HB2 SER 52 1HB SER 52 -4.900 -26.416 -5.205 4 HB3 SER 52 2HB SER 52 -5.323 -24.770 -4.694 5 HG SER 52 HG SER 52 -6.553 -27.174 -3.833 No H/Q in entry = 5 Start of MODEL 5 1 H ASP 53 H ASP 53 -8.193 -24.400 -7.673 2 HA ASP 53 HA ASP 53 -9.675 -22.736 -7.719 3 HB2 ASP 53 1HB ASP 53 -10.951 -24.746 -6.967 4 HB3 ASP 53 2HB ASP 53 -10.801 -24.193 -5.294 No H/Q in entry = 4 Start of MODEL 5 1 H LEU 54 H LEU 54 -7.467 -21.685 -6.677 2 HA LEU 54 HA LEU 54 -6.589 -19.986 -5.495 3 HB2 LEU 54 1HB LEU 54 -8.186 -18.935 -7.083 4 HB3 LEU 54 2HB LEU 54 -9.408 -18.913 -5.809 5 HG LEU 54 HG LEU 54 -7.798 -17.505 -4.418 6 HD11 LEU 54 HD11 LEU 54 -6.259 -17.469 -7.043 7 HD13 LEU 54 HD12 LEU 54 -5.662 -17.923 -5.426 8 HD12 LEU 54 HD13 LEU 54 -6.068 -16.240 -5.786 9 HD23 LEU 54 HD21 LEU 54 -8.591 -16.343 -7.135 10 HD22 LEU 54 HD22 LEU 54 -8.357 -15.438 -5.624 11 HD21 LEU 54 HD23 LEU 54 -9.711 -16.572 -5.781 No H/Q in entry = 11 Start of MODEL 5 1 H SER 55 H SER 55 -6.154 -21.094 -3.561 2 HA SER 55 HA SER 55 -8.161 -21.222 -1.444 3 HB2 SER 55 1HB SER 55 -5.238 -22.001 -1.328 4 HB3 SER 55 2HB SER 55 -6.532 -22.486 -0.221 5 HG SER 55 HG SER 55 -7.540 -23.480 -2.081 No H/Q in entry = 5 Start of MODEL 5 1 H PHE 56 H PHE 56 -8.496 -19.646 -0.002 2 HA PHE 56 HA PHE 56 -6.658 -17.354 0.176 3 HB2 PHE 56 1HB PHE 56 -9.406 -17.789 1.382 4 HB3 PHE 56 2HB PHE 56 -8.506 -16.277 1.309 5 HD1 PHE 56 HD1 PHE 56 -7.943 -15.319 -1.038 6 HD2 PHE 56 HD2 PHE 56 -10.840 -18.448 -0.394 7 HE1 PHE 56 HE1 PHE 56 -9.043 -14.758 -3.197 8 HE2 PHE 56 HE2 PHE 56 -11.922 -17.889 -2.550 9 HZ PHE 56 HZ PHE 56 -11.060 -16.013 -3.926 No H/Q in entry = 9 Start of MODEL 5 1 H SER 57 H SER 57 -4.954 -17.846 1.523 2 HA SER 57 HA SER 57 -5.151 -19.285 3.989 3 HB2 SER 57 1HB SER 57 -3.038 -18.894 2.701 4 HB3 SER 57 2HB SER 57 -3.115 -17.182 3.166 5 HG SER 57 HG SER 57 -2.945 -17.807 5.312 No H/Q in entry = 5 Start of MODEL 5 1 H LYS 58 H LYS 58 -5.256 -18.532 6.115 2 HA LYS 58 HA LYS 58 -6.892 -16.305 6.709 3 HB2 LYS 58 1HB LYS 58 -6.471 -16.840 9.024 4 HB3 LYS 58 2HB LYS 58 -6.700 -18.307 8.078 5 HG2 LYS 58 1HG LYS 58 -4.927 -18.989 9.309 6 HG3 LYS 58 2HG LYS 58 -4.020 -18.275 7.973 7 HD2 LYS 58 1HD LYS 58 -3.932 -16.112 9.401 8 HD3 LYS 58 2HD LYS 58 -4.626 -17.061 10.715 9 HE2 LYS 58 1HE LYS 58 -2.019 -17.702 9.253 10 HE3 LYS 58 2HE LYS 58 -2.134 -16.856 10.805 11 HZ3 LYS 58 1HZ LYS 58 -1.681 -19.159 11.104 12 HZ2 LYS 58 2HZ LYS 58 -3.048 -19.597 10.296 13 HZ1 LYS 58 3HZ LYS 58 -3.160 -18.794 11.732 No H/Q in entry = 13 Start of MODEL 5 1 H ASP 59 H ASP 59 -3.372 -16.638 6.513 2 HA ASP 59 HA ASP 59 -2.598 -14.133 7.633 3 HB2 ASP 59 1HB ASP 59 -1.016 -15.941 7.272 4 HB3 ASP 59 2HB ASP 59 -1.357 -15.966 5.535 No H/Q in entry = 4 Start of MODEL 5 1 H GLY 60 H GLY 60 -3.382 -15.195 4.309 2 HA3 GLY 60 1HA GLY 60 -4.422 -13.550 2.732 3 HA2 GLY 60 2HA GLY 60 -3.230 -12.375 3.311 No H/Q in entry = 3 Start of MODEL 5 1 H SER 61 H SER 61 -3.574 -15.555 1.749 2 HA SER 61 HA SER 61 -1.308 -15.038 0.007 3 HB2 SER 61 1HB SER 61 -1.263 -17.541 1.762 4 HB3 SER 61 2HB SER 61 -0.114 -17.106 0.495 5 HG SER 61 HG SER 61 0.353 -15.215 1.773 No H/Q in entry = 5 Start of MODEL 5 1 H PHE 62 H PHE 62 -1.652 -15.957 -1.916 2 HA PHE 62 HA PHE 62 -4.209 -17.351 -2.394 3 HB2 PHE 62 1HB PHE 62 -2.301 -15.798 -4.173 4 HB3 PHE 62 2HB PHE 62 -3.877 -16.424 -4.643 5 HD1 PHE 62 HD1 PHE 62 -5.965 -15.513 -3.516 6 HD2 PHE 62 HD2 PHE 62 -2.073 -13.816 -2.772 7 HE1 PHE 62 HE1 PHE 62 -7.023 -13.509 -2.509 8 HE2 PHE 62 HE2 PHE 62 -3.149 -11.790 -1.827 9 HZ PHE 62 HZ PHE 62 -5.614 -11.657 -1.646 No H/Q in entry = 9 Start of MODEL 5 1 H TYR 63 H TYR 63 -3.355 -19.511 -1.778 2 HA TYR 63 HA TYR 63 -1.066 -20.500 -3.364 3 HB2 TYR 63 1HB TYR 63 -0.718 -22.066 -1.692 4 HB3 TYR 63 2HB TYR 63 -0.877 -20.455 -1.011 5 HD1 TYR 63 HD1 TYR 63 -2.888 -19.845 0.362 6 HD2 TYR 63 HD2 TYR 63 -2.224 -23.860 -1.061 7 HE1 TYR 63 HE1 TYR 63 -4.482 -20.724 2.055 8 HE2 TYR 63 HE2 TYR 63 -3.723 -24.733 0.705 9 HH TYR 63 HH TYR 63 -5.434 -22.575 2.996 No H/Q in entry = 9 Start of MODEL 5 1 H LEU 64 H LEU 64 -1.704 -21.278 -5.296 2 HA LEU 64 HA LEU 64 -3.852 -23.324 -5.404 3 HB2 LEU 64 1HB LEU 64 -2.307 -21.921 -7.547 4 HB3 LEU 64 2HB LEU 64 -3.514 -23.184 -7.821 5 HG LEU 64 HG LEU 64 -4.882 -21.459 -6.119 6 HD13 LEU 64 HD11 LEU 64 -3.128 -19.761 -6.298 7 HD12 LEU 64 HD12 LEU 64 -4.616 -19.231 -7.108 8 HD11 LEU 64 HD13 LEU 64 -3.242 -19.796 -8.075 9 HD22 LEU 64 HD21 LEU 64 -5.873 -22.526 -8.000 10 HD21 LEU 64 HD22 LEU 64 -4.873 -21.614 -9.156 11 HD23 LEU 64 HD23 LEU 64 -6.109 -20.782 -8.189 No H/Q in entry = 11 Start of MODEL 5 1 H LEU 65 H LEU 65 -3.421 -25.243 -6.752 2 HA LEU 65 HA LEU 65 -0.638 -26.305 -6.638 3 HB2 LEU 65 1HB LEU 65 -2.206 -27.223 -4.856 4 HB3 LEU 65 2HB LEU 65 -3.238 -27.813 -6.154 5 HG LEU 65 HG LEU 65 -1.142 -29.105 -6.996 6 HD13 LEU 65 HD11 LEU 65 0.597 -27.986 -5.698 7 HD12 LEU 65 HD12 LEU 65 0.469 -29.667 -5.158 8 HD11 LEU 65 HD13 LEU 65 -0.236 -28.381 -4.174 9 HD23 LEU 65 HD21 LEU 65 -2.387 -29.820 -4.305 10 HD22 LEU 65 HD22 LEU 65 -1.593 -30.947 -5.427 11 HD21 LEU 65 HD23 LEU 65 -3.103 -30.150 -5.895 No H/Q in entry = 11 Start of MODEL 5 1 H TYR 66 H TYR 66 -0.265 -25.740 -8.821 2 HA TYR 66 HA TYR 66 -2.274 -26.443 -10.856 3 HB2 TYR 66 1HB TYR 66 0.341 -24.930 -10.980 4 HB3 TYR 66 2HB TYR 66 -0.659 -25.318 -12.374 5 HD1 TYR 66 HD1 TYR 66 -0.401 -23.149 -9.406 6 HD2 TYR 66 HD2 TYR 66 -2.798 -24.274 -12.797 7 HE1 TYR 66 HE1 TYR 66 -1.446 -20.897 -9.432 8 HE2 TYR 66 HE2 TYR 66 -3.908 -22.067 -12.760 9 HH TYR 66 HH TYR 66 -3.930 -19.949 -11.818 No H/Q in entry = 9 Start of MODEL 5 1 H TYR 67 H TYR 67 -2.152 -28.734 -10.583 2 HA TYR 67 HA TYR 67 0.341 -30.051 -11.436 3 HB2 TYR 67 1HB TYR 67 -0.620 -32.058 -10.542 4 HB3 TYR 67 2HB TYR 67 -0.627 -30.739 -9.369 5 HD1 TYR 67 HD1 TYR 67 -2.695 -29.965 -8.407 6 HD2 TYR 67 HD2 TYR 67 -2.722 -32.938 -11.518 7 HE1 TYR 67 HE1 TYR 67 -5.124 -30.307 -8.052 8 HE2 TYR 67 HE2 TYR 67 -5.132 -33.334 -11.117 9 HH TYR 67 HH TYR 67 -7.036 -32.609 -10.004 No H/Q in entry = 9 Start of MODEL 5 1 H THR 68 H THR 68 0.607 -30.980 -13.385 2 HA THR 68 HA THR 68 -1.702 -31.883 -15.009 3 HB THR 68 HB THR 68 0.010 -30.644 -16.107 4 HG1 THR 68 HG1 THR 68 0.412 -32.227 -17.730 5 HG23 THR 68 HG21 THR 68 2.021 -31.208 -14.802 6 HG22 THR 68 HG22 THR 68 2.255 -31.618 -16.503 7 HG21 THR 68 HG23 THR 68 1.904 -32.896 -15.328 No H/Q in entry = 7 Start of MODEL 5 1 H GLU 69 H GLU 69 -0.509 -34.172 -16.130 2 HA GLU 69 HA GLU 69 0.331 -36.023 -13.973 3 HB2 GLU 69 1HB GLU 69 -1.149 -37.763 -14.853 4 HB3 GLU 69 2HB GLU 69 -2.027 -36.426 -14.120 5 HG2 GLU 69 1HG GLU 69 -1.682 -36.624 -17.146 6 HG3 GLU 69 2HG GLU 69 -2.969 -37.439 -16.265 No H/Q in entry = 6 Start of MODEL 5 1 H PHE 70 H PHE 70 2.235 -34.967 -15.304 2 HA PHE 70 HA PHE 70 2.545 -35.641 -18.015 3 HB2 PHE 70 1HB PHE 70 4.676 -34.681 -17.874 4 HB3 PHE 70 2HB PHE 70 3.605 -33.716 -16.881 5 HD1 PHE 70 HD1 PHE 70 3.895 -33.685 -14.397 6 HD2 PHE 70 HD2 PHE 70 6.496 -36.029 -16.894 7 HE1 PHE 70 HE1 PHE 70 5.570 -33.815 -12.555 8 HE2 PHE 70 HE2 PHE 70 8.165 -36.126 -15.064 9 HZ PHE 70 HZ PHE 70 7.693 -35.033 -12.890 No H/Q in entry = 9 Start of MODEL 5 1 H THR 71 H THR 71 3.886 -37.048 -19.118 2 HA THR 71 HA THR 71 4.660 -39.542 -17.738 3 HB THR 71 HB THR 71 4.217 -38.935 -20.655 4 HG1 THR 71 HG1 THR 71 2.289 -40.018 -20.246 5 HG21 THR 71 HG21 THR 71 4.571 -41.563 -19.127 6 HG23 THR 71 HG22 THR 71 5.721 -40.894 -20.302 7 HG22 THR 71 HG23 THR 71 4.115 -41.407 -20.836 No H/Q in entry = 7 Start of MODEL 5 1 HA PRO 72 HA PRO 72 8.905 -37.781 -18.700 2 HB2 PRO 72 1HB PRO 72 10.312 -39.044 -16.741 3 HB3 PRO 72 2HB PRO 72 9.363 -37.561 -16.458 4 HG2 PRO 72 1HG PRO 72 8.549 -40.416 -15.902 5 HG3 PRO 72 2HG PRO 72 8.384 -38.992 -14.838 6 HD2 PRO 72 1HD PRO 72 6.343 -39.968 -16.417 7 HD3 PRO 72 2HD PRO 72 6.493 -38.243 -16.019 No H/Q in entry = 7 Start of MODEL 5 1 H THR 73 H THR 73 9.489 -38.770 -20.564 2 HA THR 73 HA THR 73 9.516 -41.635 -20.975 3 HB THR 73 HB THR 73 10.733 -39.335 -22.576 4 HG1 THR 73 HG1 THR 73 8.325 -40.799 -22.857 5 HG22 THR 73 HG21 THR 73 10.704 -40.964 -24.453 6 HG21 THR 73 HG22 THR 73 10.231 -42.253 -23.325 7 HG23 THR 73 HG23 THR 73 11.820 -41.470 -23.174 No H/Q in entry = 7 Start of MODEL 5 1 H GLU 74 H GLU 74 12.154 -39.179 -20.931 2 HA GLU 74 HA GLU 74 13.716 -40.597 -19.009 3 HB2 GLU 74 1HB GLU 74 14.228 -42.053 -20.963 4 HB3 GLU 74 2HB GLU 74 14.734 -40.652 -21.899 5 HG2 GLU 74 1HG GLU 74 16.544 -40.232 -20.162 6 HG3 GLU 74 2HG GLU 74 16.028 -41.709 -19.342 No H/Q in entry = 6 Start of MODEL 5 1 H LYS 75 H LYS 75 14.837 -38.658 -21.801 2 HA LYS 75 HA LYS 75 16.044 -36.776 -19.881 3 HB2 LYS 75 1HB LYS 75 17.317 -38.051 -21.623 4 HB3 LYS 75 2HB LYS 75 16.527 -37.070 -22.867 5 HG2 LYS 75 1HG LYS 75 17.462 -35.012 -21.735 6 HG3 LYS 75 2HG LYS 75 18.271 -36.057 -20.560 7 HD2 LYS 75 1HD LYS 75 18.744 -36.072 -23.577 8 HD3 LYS 75 2HD LYS 75 19.757 -35.256 -22.375 9 HE2 LYS 75 1HE LYS 75 20.216 -37.469 -21.289 10 HE3 LYS 75 2HE LYS 75 19.322 -38.269 -22.598 11 HZ2 LYS 75 1HZ LYS 75 21.653 -38.248 -23.001 12 HZ1 LYS 75 2HZ LYS 75 21.699 -36.601 -22.948 13 HZ3 LYS 75 3HZ LYS 75 20.862 -37.365 -24.146 No H/Q in entry = 13 Start of MODEL 5 1 H ASP 76 H ASP 76 13.512 -36.361 -19.729 2 HA ASP 76 HA ASP 76 12.500 -34.366 -21.623 3 HB2 ASP 76 1HB ASP 76 11.466 -35.431 -18.979 4 HB3 ASP 76 2HB ASP 76 10.567 -34.348 -20.063 No H/Q in entry = 4 Start of MODEL 5 1 H GLU 77 H GLU 77 11.482 -32.359 -20.566 2 HA GLU 77 HA GLU 77 13.015 -31.117 -18.403 3 HB2 GLU 77 1HB GLU 77 13.617 -29.166 -19.838 4 HB3 GLU 77 2HB GLU 77 14.556 -30.625 -20.109 5 HG2 GLU 77 1HG GLU 77 12.223 -29.810 -21.902 6 HG3 GLU 77 2HG GLU 77 13.893 -29.316 -22.171 No H/Q in entry = 6 Start of MODEL 5 1 H TYR 78 H TYR 78 10.814 -31.514 -17.626 2 HA TYR 78 HA TYR 78 8.602 -29.913 -18.553 3 HB2 TYR 78 1HB TYR 78 9.144 -31.175 -15.836 4 HB3 TYR 78 2HB TYR 78 7.602 -30.524 -16.376 5 HD1 TYR 78 HD1 TYR 78 6.303 -31.649 -18.179 6 HD2 TYR 78 HD2 TYR 78 9.933 -33.360 -16.619 7 HE1 TYR 78 HE1 TYR 78 5.955 -33.687 -19.557 8 HE2 TYR 78 HE2 TYR 78 9.479 -35.450 -17.859 9 HH TYR 78 HH TYR 78 6.808 -35.695 -20.241 No H/Q in entry = 9 Start of MODEL 5 1 H ALA 79 H ALA 79 7.918 -27.877 -17.835 2 HA ALA 79 HA ALA 79 9.373 -26.523 -15.700 3 HB3 ALA 79 1HB ALA 79 9.538 -25.504 -18.571 4 HB2 ALA 79 2HB ALA 79 10.068 -24.621 -17.125 5 HB1 ALA 79 3HB ALA 79 10.892 -26.119 -17.593 No H/Q in entry = 5 Start of MODEL 5 1 H CYS 80 H CYS 80 8.189 -25.023 -14.711 2 HA CYS 80 HA CYS 80 5.423 -24.596 -15.604 3 HB2 CYS 80 1HB CYS 80 5.977 -25.323 -13.302 4 HB3 CYS 80 2HB CYS 80 6.790 -23.777 -13.032 No H/Q in entry = 4 Start of MODEL 5 1 H ARG 81 H ARG 81 4.792 -22.722 -16.614 2 HA ARG 81 HA ARG 81 6.744 -20.556 -17.029 3 HB2 ARG 81 1HB ARG 81 5.587 -21.706 -18.886 4 HB3 ARG 81 2HB ARG 81 4.039 -21.112 -18.295 5 HG2 ARG 81 1HG ARG 81 6.379 -19.339 -19.164 6 HG3 ARG 81 2HG ARG 81 5.037 -19.848 -20.194 7 HD2 ARG 81 1HD ARG 81 3.512 -18.785 -18.382 8 HD3 ARG 81 2HD ARG 81 4.968 -17.923 -17.864 9 HE ARG 81 HE ARG 81 4.943 -17.513 -20.566 10 HH12 ARG 81 HH11 ARG 81 1.708 -15.684 -18.926 11 HH11 ARG 81 HH12 ARG 81 2.407 -17.055 -18.104 12 HH21 ARG 81 HH21 ARG 81 3.972 -15.742 -21.627 13 HH22 ARG 81 HH22 ARG 81 2.581 -14.953 -20.924 No H/Q in entry = 13 Start of MODEL 5 1 H VAL 82 H VAL 82 6.659 -19.306 -15.138 2 HA VAL 82 HA VAL 82 3.984 -18.561 -14.032 3 HB VAL 82 HB VAL 82 6.693 -18.598 -12.645 4 HG13 VAL 82 HG11 VAL 82 5.014 -16.995 -11.706 5 HG11 VAL 82 HG12 VAL 82 3.826 -18.317 -11.648 6 HG12 VAL 82 HG13 VAL 82 5.276 -18.374 -10.623 7 HG23 VAL 82 HG21 VAL 82 5.758 -20.571 -11.445 8 HG21 VAL 82 HG22 VAL 82 4.389 -20.574 -12.574 9 HG22 VAL 82 HG23 VAL 82 6.037 -20.901 -13.156 No H/Q in entry = 9 Start of MODEL 5 1 H ASN 83 H ASN 83 3.557 -16.824 -15.404 2 HA ASN 83 HA ASN 83 5.295 -14.420 -15.011 3 HB2 ASN 83 1HB ASN 83 4.609 -14.973 -17.368 4 HB3 ASN 83 2HB ASN 83 2.926 -14.769 -16.866 5 HD21 ASN 83 HD21 ASN 83 6.094 -13.050 -17.018 6 HD22 ASN 83 HD22 ASN 83 5.404 -11.450 -17.165 No H/Q in entry = 6 Start of MODEL 5 1 H HIS 84 H HIS 84 4.314 -12.558 -14.128 2 HA HIS 84 HA HIS 84 1.641 -12.670 -12.941 3 HB2 HIS 84 1HB HIS 84 3.136 -13.788 -11.259 4 HB3 HIS 84 2HB HIS 84 4.180 -12.371 -11.273 5 HD2 HIS 84 HD2 HIS 84 0.233 -12.606 -10.687 6 HE1 HIS 84 HE1 HIS 84 2.042 -10.425 -7.559 7 HE2 HIS 84 HE2 HIS 84 -0.190 -11.244 -8.499 No H/Q in entry = 7 Start of MODEL 5 1 H VAL 85 H VAL 85 1.154 -10.447 -11.973 2 HA VAL 85 HA VAL 85 1.801 -8.416 -13.817 3 HB VAL 85 HB VAL 85 0.579 -8.295 -11.048 4 HG11 VAL 85 HG11 VAL 85 0.875 -6.074 -13.118 5 HG12 VAL 85 HG12 VAL 85 -0.211 -6.015 -11.714 6 HG13 VAL 85 HG13 VAL 85 1.534 -6.075 -11.464 7 HG23 VAL 85 HG21 VAL 85 -0.582 -8.047 -13.861 8 HG21 VAL 85 HG22 VAL 85 -0.716 -9.472 -12.816 9 HG22 VAL 85 HG23 VAL 85 -1.490 -7.949 -12.341 No H/Q in entry = 9 Start of MODEL 5 1 H THR 86 H THR 86 3.511 -9.406 -10.865 2 HA THR 86 HA THR 86 5.156 -7.041 -10.674 3 HB THR 86 HB THR 86 6.547 -8.478 -9.202 4 HG1 THR 86 HG1 THR 86 4.609 -10.471 -9.752 5 HG21 THR 86 HG21 THR 86 3.544 -8.564 -8.652 6 HG23 THR 86 HG22 THR 86 4.676 -7.259 -8.245 7 HG22 THR 86 HG23 THR 86 4.826 -8.846 -7.454 No H/Q in entry = 7 Start of MODEL 5 1 H LEU 87 H LEU 87 5.467 -10.220 -12.311 2 HA LEU 87 HA LEU 87 8.248 -9.639 -13.073 3 HB2 LEU 87 1HB LEU 87 6.608 -12.083 -13.756 4 HB3 LEU 87 2HB LEU 87 8.362 -11.897 -13.759 5 HG LEU 87 HG LEU 87 6.544 -11.892 -11.303 6 HD11 LEU 87 HD11 LEU 87 6.811 -14.100 -12.307 7 HD13 LEU 87 HD12 LEU 87 7.680 -14.003 -10.765 8 HD12 LEU 87 HD13 LEU 87 8.579 -13.910 -12.295 9 HD22 LEU 87 HD21 LEU 87 8.464 -10.395 -10.900 10 HD21 LEU 87 HD22 LEU 87 9.581 -11.648 -11.490 11 HD23 LEU 87 HD23 LEU 87 8.657 -11.897 -9.992 No H/Q in entry = 11 Start of MODEL 5 1 H SER 88 H SER 88 8.690 -8.549 -14.894 2 HA SER 88 HA SER 88 6.814 -8.049 -16.994 3 HB2 SER 88 1HB SER 88 8.696 -6.560 -16.499 4 HB3 SER 88 2HB SER 88 9.855 -7.828 -16.953 5 HG SER 88 HG SER 88 9.405 -6.338 -18.648 No H/Q in entry = 5 Start of MODEL 5 1 H GLN 89 H GLN 89 9.616 -10.279 -16.712 2 HA GLN 89 HA GLN 89 8.920 -11.622 -19.227 3 HB2 GLN 89 1HB GLN 89 11.013 -12.773 -18.979 4 HB3 GLN 89 2HB GLN 89 11.249 -11.043 -18.716 5 HG2 GLN 89 1HG GLN 89 11.257 -11.453 -16.242 6 HG3 GLN 89 2HG GLN 89 11.091 -13.191 -16.546 7 HE21 GLN 89 HE21 GLN 89 13.235 -12.126 -15.074 8 HE22 GLN 89 HE22 GLN 89 14.708 -12.380 -15.988 No H/Q in entry = 8 Start of MODEL 5 1 HA PRO 90 HA PRO 90 6.963 -15.050 -17.002 2 HB2 PRO 90 1HB PRO 90 7.228 -17.101 -18.756 3 HB3 PRO 90 2HB PRO 90 6.178 -15.689 -19.096 4 HG2 PRO 90 1HG PRO 90 9.011 -16.136 -20.071 5 HG3 PRO 90 2HG PRO 90 7.577 -15.687 -21.036 6 HD2 PRO 90 1HD PRO 90 9.341 -13.824 -20.112 7 HD3 PRO 90 2HD PRO 90 7.590 -13.475 -20.188 No H/Q in entry = 7 Start of MODEL 5 1 H LYS 91 H LYS 91 7.760 -16.343 -15.406 2 HA LYS 91 HA LYS 91 10.664 -16.843 -15.329 3 HB2 LYS 91 1HB LYS 91 9.418 -15.880 -13.394 4 HB3 LYS 91 2HB LYS 91 8.579 -17.429 -13.208 5 HG2 LYS 91 1HG LYS 91 10.816 -18.563 -12.992 6 HG3 LYS 91 2HG LYS 91 11.592 -16.970 -13.112 7 HD2 LYS 91 1HD LYS 91 10.309 -16.224 -11.103 8 HD3 LYS 91 2HD LYS 91 9.604 -17.851 -10.973 9 HE2 LYS 91 1HE LYS 91 11.881 -18.810 -10.704 10 HE3 LYS 91 2HE LYS 91 12.585 -17.187 -10.838 11 HZ1 LYS 91 1HZ LYS 91 10.691 -18.033 -8.771 12 HZ3 LYS 91 2HZ LYS 91 11.418 -16.557 -8.878 13 HZ2 LYS 91 3HZ LYS 91 12.322 -17.904 -8.568 No H/Q in entry = 13 Start of MODEL 5 1 H ILE 92 H ILE 92 11.218 -18.577 -16.550 2 HA ILE 92 HA ILE 92 9.516 -20.952 -16.791 3 HB ILE 92 HB ILE 92 12.332 -20.420 -17.814 4 HG13 ILE 92 HG12 ILE 92 11.268 -19.899 -19.983 5 HG23 ILE 92 HG21 ILE 92 11.771 -22.796 -17.813 6 HG21 ILE 92 HG22 ILE 92 10.222 -22.473 -18.610 7 HG22 ILE 92 HG23 ILE 92 11.748 -22.183 -19.470 8 HD13 ILE 92 HD11 ILE 92 8.969 -19.125 -20.096 9 HD11 ILE 92 HD12 ILE 92 8.959 -20.822 -19.589 10 HD12 ILE 92 HD13 ILE 92 8.686 -19.525 -18.399 11 HG12 ILE 92 HG11 ILE 92 10.974 -18.688 -18.745 No H/Q in entry = 11 Start of MODEL 5 1 H VAL 93 H VAL 93 9.368 -21.619 -14.609 2 HA VAL 93 HA VAL 93 11.719 -21.998 -12.986 3 HB VAL 93 HB VAL 93 8.958 -23.181 -12.504 4 HG12 VAL 93 HG11 VAL 93 9.750 -22.962 -10.110 5 HG13 VAL 93 HG12 VAL 93 10.705 -24.114 -11.059 6 HG11 VAL 93 HG13 VAL 93 11.341 -22.491 -10.716 7 HG22 VAL 93 HG21 VAL 93 8.677 -20.775 -12.826 8 HG23 VAL 93 HG22 VAL 93 8.488 -21.237 -11.137 9 HG21 VAL 93 HG23 VAL 93 10.001 -20.460 -11.676 No H/Q in entry = 9 Start of MODEL 5 1 H LYS 94 H LYS 94 13.057 -23.680 -13.037 2 HA LYS 94 HA LYS 94 12.545 -25.935 -14.846 3 HB2 LYS 94 1HB LYS 94 14.974 -25.120 -13.201 4 HB3 LYS 94 2HB LYS 94 14.911 -26.452 -14.372 5 HG2 LYS 94 1HG LYS 94 14.312 -24.829 -16.164 6 HG3 LYS 94 2HG LYS 94 14.427 -23.498 -14.995 7 HD2 LYS 94 1HD LYS 94 16.803 -24.141 -14.537 8 HD3 LYS 94 2HD LYS 94 16.701 -25.351 -15.827 9 HE2 LYS 94 1HE LYS 94 16.302 -22.337 -16.157 10 HE3 LYS 94 2HE LYS 94 17.768 -23.240 -16.574 11 HZ2 LYS 94 1HZ LYS 94 15.129 -23.590 -17.804 12 HZ1 LYS 94 2HZ LYS 94 16.469 -24.487 -18.154 13 HZ3 LYS 94 3HZ LYS 94 16.447 -22.872 -18.484 No H/Q in entry = 13 Start of MODEL 5 1 H TRP 95 H TRP 95 11.153 -27.383 -13.926 2 HA TRP 95 HA TRP 95 10.833 -28.237 -11.317 3 HB2 TRP 95 1HB TRP 95 9.410 -29.073 -13.105 4 HB3 TRP 95 2HB TRP 95 10.791 -29.767 -13.928 5 HD1 TRP 95 HD1 TRP 95 9.381 -30.294 -10.336 6 HE1 TRP 95 HE1 TRP 95 9.418 -32.821 -9.823 7 HE3 TRP 95 HE3 TRP 95 11.201 -31.986 -14.775 8 HZ2 TRP 95 HZ2 TRP 95 10.111 -35.253 -11.182 9 HZ3 TRP 95 HZ3 TRP 95 11.545 -34.436 -15.151 10 HH2 TRP 95 HH2 TRP 95 10.957 -36.064 -13.372 No H/Q in entry = 10 Start of MODEL 5 1 H ASP 96 H ASP 96 12.419 -28.768 -9.908 2 HA ASP 96 HA ASP 96 14.864 -30.154 -10.691 3 HB2 ASP 96 1HB ASP 96 14.901 -28.555 -8.849 4 HB3 ASP 96 2HB ASP 96 13.668 -29.477 -7.975 No H/Q in entry = 4 Start of MODEL 5 1 H ARG 97 H ARG 97 14.642 -32.219 -11.352 2 HA ARG 97 HA ARG 97 12.581 -33.988 -10.377 3 HB2 ARG 97 1HB ARG 97 13.375 -35.569 -11.859 4 HB3 ARG 97 2HB ARG 97 13.581 -34.025 -12.687 5 HG2 ARG 97 1HG ARG 97 15.771 -35.683 -11.357 6 HG3 ARG 97 2HG ARG 97 15.431 -35.557 -13.082 7 HD2 ARG 97 1HD ARG 97 15.942 -33.105 -12.985 8 HD3 ARG 97 2HD ARG 97 16.431 -33.319 -11.289 9 HE ARG 97 HE ARG 97 17.754 -35.159 -13.088 10 HH12 ARG 97 HH11 ARG 97 19.608 -31.717 -11.980 11 HH11 ARG 97 HH12 ARG 97 17.887 -31.874 -11.729 12 HH21 ARG 97 HH21 ARG 97 19.994 -34.932 -13.396 13 HH22 ARG 97 HH22 ARG 97 20.810 -33.457 -12.932 No H/Q in entry = 13 Start of MODEL 5 1 H ASP 98 H ASP 98 15.834 -33.195 -9.335 2 HA ASP 98 HA ASP 98 16.012 -35.542 -7.533 3 HB2 ASP 98 1HB ASP 98 17.944 -33.247 -8.047 4 HB3 ASP 98 2HB ASP 98 18.266 -34.698 -7.085 No H/Q in entry = 4 Start of MODEL 5 1 H MET 99 H MET 99 13.810 -33.972 -6.966 2 HA MET 99 HA MET 99 14.453 -32.048 -4.858 3 HB2 MET 99 1HB MET 99 12.580 -31.658 -6.376 4 HB3 MET 99 2HB MET 99 11.832 -33.192 -5.904 5 HG2 MET 99 1HG MET 99 10.734 -31.350 -4.792 6 HG3 MET 99 2HG MET 99 11.565 -32.335 -3.594 7 HE2 MET 99 1HE MET 99 11.821 -28.899 -1.875 8 HE3 MET 99 2HE MET 99 10.441 -29.622 -2.736 9 HE1 MET 99 3HE MET 99 11.471 -30.633 -1.693 No H/Q in entry = 9 Start of MODEL 6 1 H1 MET 0 2H MET 0 -2.761 -3.834 -0.259 2 H2 MET 0 3H MET 0 -2.467 -2.243 0.058 3 H3 MET 0 1H MET 0 -3.705 -2.670 -0.946 4 HA MET 0 HA MET 0 -2.224 -3.531 -2.553 5 HB2 MET 0 1HB MET 0 -1.407 -0.732 -1.670 6 HB3 MET 0 2HB MET 0 -1.136 -1.441 -3.268 7 HG2 MET 0 1HG MET 0 -3.845 -0.823 -2.013 8 HG3 MET 0 2HG MET 0 -3.011 0.109 -3.253 9 HE2 MET 0 1HE MET 0 -5.933 -1.132 -5.390 10 HE3 MET 0 2HE MET 0 -5.978 -0.577 -3.701 11 HE1 MET 0 3HE MET 0 -4.929 0.244 -4.881 No H/Q in entry = 11 Start of MODEL 6 1 H ILE 1 H ILE 1 -0.590 -4.973 -2.492 2 HA ILE 1 HA ILE 1 2.036 -4.116 -1.650 3 HB ILE 1 HB ILE 1 1.104 -4.878 0.498 4 HG13 ILE 1 HG12 ILE 1 3.483 -5.054 0.030 5 HG22 ILE 1 HG21 ILE 1 0.884 -7.662 -0.705 6 HG23 ILE 1 HG22 ILE 1 0.439 -7.142 0.932 7 HG21 ILE 1 HG23 ILE 1 -0.504 -6.579 -0.446 8 HD12 ILE 1 HD11 ILE 1 2.660 -7.587 1.496 9 HD13 ILE 1 HD12 ILE 1 4.124 -6.614 1.715 10 HD11 ILE 1 HD13 ILE 1 2.550 -5.960 2.214 11 HG12 ILE 1 HG11 ILE 1 3.282 -6.670 -0.656 No H/Q in entry = 11 Start of MODEL 6 1 H GLN 2 H GLN 2 3.547 -5.051 -2.887 2 HA GLN 2 HA GLN 2 2.548 -6.703 -5.119 3 HB2 GLN 2 1HB GLN 2 5.058 -5.019 -4.754 4 HB3 GLN 2 2HB GLN 2 4.548 -5.805 -6.252 5 HG2 GLN 2 1HG GLN 2 3.073 -3.571 -4.787 6 HG3 GLN 2 2HG GLN 2 3.961 -3.453 -6.305 7 HE21 GLN 2 HE21 GLN 2 0.920 -4.342 -4.819 8 HE22 GLN 2 HE22 GLN 2 0.089 -4.779 -6.297 No H/Q in entry = 8 Start of MODEL 6 1 H ARG 3 H ARG 3 2.589 -8.538 -3.397 2 HA ARG 3 HA ARG 3 5.200 -9.726 -2.886 3 HB2 ARG 3 1HB ARG 3 2.366 -10.758 -2.524 4 HB3 ARG 3 2HB ARG 3 3.834 -11.657 -2.096 5 HG2 ARG 3 1HG ARG 3 4.499 -9.898 -0.503 6 HG3 ARG 3 2HG ARG 3 3.072 -8.947 -0.951 7 HD2 ARG 3 1HD ARG 3 2.635 -10.129 1.134 8 HD3 ARG 3 2HD ARG 3 1.598 -10.735 -0.165 9 HE ARG 3 HE ARG 3 4.098 -12.216 0.242 10 HH12 ARG 3 HH11 ARG 3 0.594 -13.668 1.707 11 HH11 ARG 3 HH12 ARG 3 0.655 -12.022 1.149 12 HH21 ARG 3 HH21 ARG 3 3.967 -14.383 0.950 13 HH22 ARG 3 HH22 ARG 3 2.462 -15.015 1.575 No H/Q in entry = 13 Start of MODEL 6 1 H THR 4 H THR 4 6.089 -11.514 -3.819 2 HA THR 4 HA THR 4 5.318 -12.123 -6.582 3 HB THR 4 HB THR 4 7.576 -13.274 -6.547 4 HG1 THR 4 HG1 THR 4 8.872 -12.845 -4.747 5 HG21 THR 4 HG21 THR 4 7.330 -10.938 -7.321 6 HG23 THR 4 HG22 THR 4 8.881 -11.210 -6.511 7 HG22 THR 4 HG23 THR 4 7.579 -10.355 -5.661 No H/Q in entry = 7 Start of MODEL 6 1 HA PRO 5 HA PRO 5 3.933 -16.307 -5.487 2 HB2 PRO 5 1HB PRO 5 4.568 -17.694 -7.764 3 HB3 PRO 5 2HB PRO 5 3.223 -16.524 -7.708 4 HG2 PRO 5 1HG PRO 5 6.031 -16.085 -8.713 5 HG3 PRO 5 2HG PRO 5 4.498 -15.604 -9.497 6 HD2 PRO 5 1HD PRO 5 5.970 -13.838 -8.059 7 HD3 PRO 5 2HD PRO 5 4.188 -13.803 -8.010 No H/Q in entry = 7 Start of MODEL 6 1 H LYS 6 H LYS 6 4.970 -17.661 -4.138 2 HA LYS 6 HA LYS 6 7.883 -17.948 -4.193 3 HB2 LYS 6 1HB LYS 6 6.630 -17.713 -2.071 4 HB3 LYS 6 2HB LYS 6 5.781 -19.232 -2.406 5 HG2 LYS 6 1HG LYS 6 7.995 -20.416 -2.471 6 HG3 LYS 6 2HG LYS 6 8.799 -18.886 -2.066 7 HD2 LYS 6 1HD LYS 6 7.591 -18.792 0.072 8 HD3 LYS 6 2HD LYS 6 6.660 -20.241 -0.360 9 HE2 LYS 6 1HE LYS 6 8.814 -21.537 -0.494 10 HE3 LYS 6 2HE LYS 6 9.676 -20.093 0.077 11 HZ2 LYS 6 1HZ LYS 6 7.579 -21.565 1.510 12 HZ1 LYS 6 2HZ LYS 6 8.315 -20.195 2.062 13 HZ3 LYS 6 3HZ LYS 6 9.191 -21.577 1.855 No H/Q in entry = 13 Start of MODEL 6 1 H ILE 7 H ILE 7 8.630 -19.231 -5.823 2 HA ILE 7 HA ILE 7 7.123 -21.362 -6.975 3 HB ILE 7 HB ILE 7 9.142 -21.851 -8.252 4 HG13 ILE 7 HG12 ILE 7 10.892 -21.398 -6.571 5 HG22 ILE 7 HG21 ILE 7 8.499 -18.874 -8.090 6 HG23 ILE 7 HG22 ILE 7 9.127 -19.739 -9.498 7 HG21 ILE 7 HG23 ILE 7 7.510 -20.104 -8.907 8 HD13 ILE 7 HD11 ILE 7 12.508 -20.318 -7.938 9 HD11 ILE 7 HD12 ILE 7 11.470 -21.310 -8.981 10 HD12 ILE 7 HD13 ILE 7 11.259 -19.540 -8.921 11 HG12 ILE 7 HG11 ILE 7 10.506 -19.669 -6.599 No H/Q in entry = 11 Start of MODEL 6 1 H GLN 8 H GLN 8 6.910 -23.404 -6.444 2 HA GLN 8 HA GLN 8 8.919 -24.889 -4.877 3 HB2 GLN 8 1HB GLN 8 6.029 -24.498 -3.978 4 HB3 GLN 8 2HB GLN 8 7.149 -25.706 -3.331 5 HG2 GLN 8 1HG GLN 8 8.632 -23.853 -2.541 6 HG3 GLN 8 2HG GLN 8 7.451 -22.679 -3.157 7 HE21 GLN 8 HE21 GLN 8 7.463 -25.643 -1.089 8 HE22 GLN 8 HE22 GLN 8 6.345 -25.008 0.099 No H/Q in entry = 8 Start of MODEL 6 1 H VAL 9 H VAL 9 9.069 -25.741 -7.103 2 HA VAL 9 HA VAL 9 6.723 -27.215 -8.131 3 HB VAL 9 HB VAL 9 9.388 -26.607 -9.366 4 HG13 VAL 9 HG11 VAL 9 8.436 -28.542 -10.462 5 HG11 VAL 9 HG12 VAL 9 6.824 -27.825 -10.467 6 HG12 VAL 9 HG13 VAL 9 8.106 -27.160 -11.507 7 HG22 VAL 9 HG21 VAL 9 8.116 -24.540 -8.978 8 HG23 VAL 9 HG22 VAL 9 8.053 -24.947 -10.704 9 HG21 VAL 9 HG23 VAL 9 6.660 -25.275 -9.663 No H/Q in entry = 9 Start of MODEL 6 1 H TYR 10 H TYR 10 6.784 -28.893 -6.615 2 HA TYR 10 HA TYR 10 9.001 -30.875 -6.800 3 HB2 TYR 10 1HB TYR 10 8.202 -31.756 -4.759 4 HB3 TYR 10 2HB TYR 10 8.564 -30.042 -4.661 5 HD1 TYR 10 HD1 TYR 10 5.962 -32.599 -4.344 6 HD2 TYR 10 HD2 TYR 10 6.780 -28.368 -4.300 7 HE1 TYR 10 HE1 TYR 10 3.811 -32.195 -3.189 8 HE2 TYR 10 HE2 TYR 10 4.598 -27.958 -3.199 9 HH TYR 10 HH TYR 10 2.647 -28.897 -2.404 No H/Q in entry = 9 Start of MODEL 6 1 H SER 11 H SER 11 8.485 -33.174 -6.948 2 HA SER 11 HA SER 11 6.153 -33.829 -8.621 3 HB2 SER 11 1HB SER 11 7.215 -36.023 -8.792 4 HB3 SER 11 2HB SER 11 8.317 -34.726 -9.268 5 HG SER 11 HG SER 11 9.302 -36.265 -7.892 No H/Q in entry = 5 Start of MODEL 6 1 H ARG 12 H ARG 12 4.452 -35.030 -7.915 2 HA ARG 12 HA ARG 12 3.981 -35.416 -5.086 3 HB2 ARG 12 1HB ARG 12 2.136 -34.892 -6.654 4 HB3 ARG 12 2HB ARG 12 2.470 -36.369 -7.557 5 HG2 ARG 12 1HG ARG 12 0.546 -36.708 -6.161 6 HG3 ARG 12 2HG ARG 12 1.862 -37.730 -5.577 7 HD2 ARG 12 1HD ARG 12 2.319 -36.023 -3.767 8 HD3 ARG 12 2HD ARG 12 0.974 -35.062 -4.391 9 HE ARG 12 HE ARG 12 -0.516 -36.477 -3.380 10 HH12 ARG 12 HH11 ARG 12 2.132 -39.416 -2.438 11 HH11 ARG 12 HH12 ARG 12 2.658 -38.095 -3.450 12 HH21 ARG 12 HH21 ARG 12 -1.175 -38.221 -2.079 13 HH22 ARG 12 HH22 ARG 12 -0.052 -39.492 -1.659 No H/Q in entry = 13 Start of MODEL 6 1 H HIS 13 H HIS 13 4.166 -37.644 -7.880 2 HA HIS 13 HA HIS 13 4.894 -39.927 -6.173 3 HB2 HIS 13 1HB HIS 13 4.039 -39.599 -9.050 4 HB3 HIS 13 2HB HIS 13 4.402 -41.166 -8.319 5 HD1 HIS 13 HD1 HIS 13 2.817 -41.884 -6.245 6 HD2 HIS 13 HD2 HIS 13 1.507 -38.605 -8.499 7 HE1 HIS 13 HE1 HIS 13 0.382 -41.473 -5.639 No H/Q in entry = 7 Start of MODEL 6 1 HA PRO 14 HA PRO 14 9.149 -39.763 -7.330 2 HB2 PRO 14 1HB PRO 14 9.930 -42.392 -7.428 3 HB3 PRO 14 2HB PRO 14 9.482 -41.545 -5.920 4 HG2 PRO 14 1HG PRO 14 7.693 -43.289 -7.639 5 HG3 PRO 14 2HG PRO 14 7.968 -43.411 -5.876 6 HD2 PRO 14 1HD PRO 14 5.831 -42.093 -6.842 7 HD3 PRO 14 2HD PRO 14 6.741 -41.399 -5.471 No H/Q in entry = 7 Start of MODEL 6 1 H ALA 15 H ALA 15 9.899 -39.119 -9.238 2 HA ALA 15 HA ALA 15 9.005 -40.325 -11.783 3 HB2 ALA 15 1HB ALA 15 10.646 -37.855 -11.090 4 HB3 ALA 15 2HB ALA 15 10.203 -38.361 -12.733 5 HB1 ALA 15 3HB ALA 15 8.936 -37.899 -11.577 No H/Q in entry = 5 Start of MODEL 6 1 H GLU 16 H GLU 16 10.162 -42.372 -11.139 2 HA GLU 16 HA GLU 16 13.098 -42.274 -11.277 3 HB2 GLU 16 1HB GLU 16 11.798 -43.663 -9.644 4 HB3 GLU 16 2HB GLU 16 11.279 -44.689 -10.988 5 HG2 GLU 16 1HG GLU 16 13.675 -45.207 -11.480 6 HG3 GLU 16 2HG GLU 16 14.176 -44.100 -10.194 No H/Q in entry = 6 Start of MODEL 6 1 H ASN 17 H ASN 17 12.712 -41.247 -13.480 2 HA ASN 17 HA ASN 17 12.793 -41.246 -15.714 3 HB2 ASN 17 1HB ASN 17 14.939 -42.303 -15.067 4 HB3 ASN 17 2HB ASN 17 14.217 -43.904 -15.260 5 HD21 ASN 17 HD21 ASN 17 14.316 -40.824 -17.203 6 HD22 ASN 17 HD22 ASN 17 14.820 -41.603 -18.687 No H/Q in entry = 6 Start of MODEL 6 1 H GLY 18 H GLY 18 10.279 -41.879 -15.037 2 HA3 GLY 18 1HA GLY 18 8.975 -42.739 -17.218 3 HA2 GLY 18 2HA GLY 18 9.394 -44.290 -16.464 No H/Q in entry = 3 Start of MODEL 6 1 H LYS 19 H LYS 19 6.891 -44.067 -16.695 2 HA LYS 19 HA LYS 19 4.972 -44.375 -15.723 3 HB2 LYS 19 1HB LYS 19 6.437 -45.539 -14.131 4 HB3 LYS 19 2HB LYS 19 6.432 -44.115 -13.082 5 HG2 LYS 19 1HG LYS 19 3.971 -44.309 -12.830 6 HG3 LYS 19 2HG LYS 19 3.946 -45.673 -13.954 7 HD2 LYS 19 1HD LYS 19 5.240 -45.562 -11.195 8 HD3 LYS 19 2HD LYS 19 3.781 -46.448 -11.652 9 HE2 LYS 19 1HE LYS 19 6.646 -47.057 -12.502 10 HE3 LYS 19 2HE LYS 19 5.598 -48.015 -11.456 11 HZ1 LYS 19 1HZ LYS 19 4.158 -48.393 -13.321 12 HZ3 LYS 19 2HZ LYS 19 5.691 -48.909 -13.644 13 HZ2 LYS 19 3HZ LYS 19 5.140 -47.506 -14.307 No H/Q in entry = 13 Start of MODEL 6 1 H SER 20 H SER 20 3.118 -43.344 -15.045 2 HA SER 20 HA SER 20 2.972 -40.582 -15.390 3 HB2 SER 20 1HB SER 20 1.039 -42.471 -13.978 4 HB3 SER 20 2HB SER 20 0.630 -40.866 -14.604 5 HG SER 20 HG SER 20 0.122 -42.513 -16.091 No H/Q in entry = 5 Start of MODEL 6 1 H ASN 21 H ASN 21 3.234 -38.858 -14.083 2 HA ASN 21 HA ASN 21 3.235 -39.151 -11.121 3 HB2 ASN 21 1HB ASN 21 5.281 -37.629 -12.778 4 HB3 ASN 21 2HB ASN 21 5.255 -37.747 -11.011 5 HD21 ASN 21 HD21 ASN 21 5.014 -40.461 -10.509 6 HD22 ASN 21 HD22 ASN 21 6.391 -41.296 -11.188 No H/Q in entry = 6 Start of MODEL 6 1 H PHE 22 H PHE 22 2.257 -37.391 -10.103 2 HA PHE 22 HA PHE 22 1.188 -35.235 -11.823 3 HB2 PHE 22 1HB PHE 22 0.591 -36.151 -9.019 4 HB3 PHE 22 2HB PHE 22 0.057 -34.591 -9.636 5 HD1 PHE 22 HD1 PHE 22 -0.574 -38.195 -9.740 6 HD2 PHE 22 HD2 PHE 22 -1.404 -34.419 -11.651 7 HE1 PHE 22 HE1 PHE 22 -2.516 -39.203 -10.903 8 HE2 PHE 22 HE2 PHE 22 -3.413 -35.401 -12.719 9 HZ PHE 22 HZ PHE 22 -3.936 -37.811 -12.398 No H/Q in entry = 9 Start of MODEL 6 1 H LEU 23 H LEU 23 1.898 -33.180 -11.804 2 HA LEU 23 HA LEU 23 4.322 -32.497 -10.322 3 HB2 LEU 23 1HB LEU 23 3.818 -31.952 -12.768 4 HB3 LEU 23 2HB LEU 23 2.619 -30.800 -12.194 5 HG LEU 23 HG LEU 23 4.414 -29.454 -11.147 6 HD12 LEU 23 HD11 LEU 23 6.823 -30.091 -11.673 7 HD11 LEU 23 HD12 LEU 23 6.239 -31.697 -12.143 8 HD13 LEU 23 HD13 LEU 23 6.060 -31.125 -10.469 9 HD21 LEU 23 HD21 LEU 23 5.028 -30.296 -14.009 10 HD23 LEU 23 HD22 LEU 23 5.563 -28.793 -13.235 11 HD22 LEU 23 HD23 LEU 23 3.834 -29.079 -13.505 No H/Q in entry = 11 Start of MODEL 6 1 H ASN 24 H ASN 24 4.433 -30.450 -9.011 2 HA ASN 24 HA ASN 24 1.820 -29.495 -7.955 3 HB2 ASN 24 1HB ASN 24 4.196 -30.325 -6.238 4 HB3 ASN 24 2HB ASN 24 2.672 -29.663 -5.663 5 HD21 ASN 24 HD21 ASN 24 0.649 -31.071 -6.362 6 HD22 ASN 24 HD22 ASN 24 0.872 -32.800 -6.218 No H/Q in entry = 6 Start of MODEL 6 1 H CYS 25 H CYS 25 2.483 -27.763 -9.526 2 HA CYS 25 HA CYS 25 4.673 -26.000 -8.651 3 HB2 CYS 25 1HB CYS 25 2.529 -25.712 -10.759 4 HB3 CYS 25 2HB CYS 25 3.746 -24.477 -10.393 No H/Q in entry = 4 Start of MODEL 6 1 H TYR 26 H TYR 26 4.089 -25.798 -6.490 2 HA TYR 26 HA TYR 26 1.515 -24.640 -5.707 3 HB2 TYR 26 1HB TYR 26 2.540 -26.521 -4.509 4 HB3 TYR 26 2HB TYR 26 3.945 -25.544 -4.128 5 HD1 TYR 26 HD1 TYR 26 3.936 -24.137 -2.182 6 HD2 TYR 26 HD2 TYR 26 0.245 -25.831 -3.621 7 HE1 TYR 26 HE1 TYR 26 2.799 -23.426 -0.100 8 HE2 TYR 26 HE2 TYR 26 -0.838 -25.286 -1.465 9 HH TYR 26 HH TYR 26 0.802 -23.333 1.056 No H/Q in entry = 9 Start of MODEL 6 1 H VAL 27 H VAL 27 1.674 -22.597 -6.704 2 HA VAL 27 HA VAL 27 3.968 -20.845 -6.072 3 HB VAL 27 HB VAL 27 2.958 -19.414 -7.834 4 HG11 VAL 27 HG11 VAL 27 3.793 -22.262 -8.522 5 HG12 VAL 27 HG12 VAL 27 3.785 -20.897 -9.649 6 HG13 VAL 27 HG13 VAL 27 4.863 -20.871 -8.245 7 HG22 VAL 27 HG21 VAL 27 1.442 -20.438 -9.456 8 HG23 VAL 27 HG22 VAL 27 1.241 -21.866 -8.448 9 HG21 VAL 27 HG23 VAL 27 0.607 -20.299 -7.913 No H/Q in entry = 9 Start of MODEL 6 1 H SER 28 H SER 28 3.437 -20.493 -3.846 2 HA SER 28 HA SER 28 0.817 -19.291 -3.247 3 HB2 SER 28 1HB SER 28 1.426 -19.835 -0.920 4 HB3 SER 28 2HB SER 28 1.525 -21.241 -2.008 5 HG SER 28 HG SER 28 3.333 -21.142 -0.684 No H/Q in entry = 5 Start of MODEL 6 1 H GLY 29 H GLY 29 0.470 -17.377 -2.206 2 HA3 GLY 29 1HA GLY 29 1.006 -15.608 -0.850 3 HA2 GLY 29 2HA GLY 29 2.725 -15.855 -1.130 No H/Q in entry = 3 Start of MODEL 6 1 H PHE 30 H PHE 30 1.350 -15.727 -4.220 2 HA PHE 30 HA PHE 30 2.377 -13.071 -4.668 3 HB2 PHE 30 1HB PHE 30 1.741 -13.366 -6.948 4 HB3 PHE 30 2HB PHE 30 2.476 -14.835 -6.357 5 HD1 PHE 30 HD1 PHE 30 1.106 -16.877 -5.920 6 HD2 PHE 30 HD2 PHE 30 -0.622 -13.315 -7.623 7 HE1 PHE 30 HE1 PHE 30 -1.028 -18.078 -6.307 8 HE2 PHE 30 HE2 PHE 30 -2.668 -14.578 -8.170 9 HZ PHE 30 HZ PHE 30 -2.960 -16.868 -7.327 No H/Q in entry = 9 Start of MODEL 6 1 H HIS 31 H HIS 31 1.332 -11.195 -4.478 2 HA HIS 31 HA HIS 31 -1.626 -11.134 -4.230 3 HB2 HIS 31 1HB HIS 31 0.561 -9.271 -3.373 4 HB3 HIS 31 2HB HIS 31 -1.134 -8.786 -3.428 5 HD1 HIS 31 HD1 HIS 31 -1.321 -8.526 -0.885 6 HD2 HIS 31 HD2 HIS 31 -0.412 -12.424 -2.125 7 HE1 HIS 31 HE1 HIS 31 -1.710 -10.075 1.093 No H/Q in entry = 7 Start of MODEL 6 1 HA PRO 32 HA PRO 32 -3.287 -9.718 -4.470 2 HB2 PRO 32 1HB PRO 32 -5.364 -8.944 -6.026 3 HB3 PRO 32 2HB PRO 32 -4.236 -7.804 -5.250 4 HG2 PRO 32 1HG PRO 32 -4.329 -8.624 -8.137 5 HG3 PRO 32 2HG PRO 32 -3.909 -7.054 -7.422 6 HD2 PRO 32 1HD PRO 32 -2.062 -9.041 -8.271 7 HD3 PRO 32 2HD PRO 32 -1.689 -7.654 -7.214 No H/Q in entry = 7 Start of MODEL 6 1 H SER 33 H SER 33 -3.968 -10.510 -7.925 2 HA SER 33 HA SER 33 -4.284 -13.370 -7.332 3 HB2 SER 33 1HB SER 33 -6.621 -13.388 -8.164 4 HB3 SER 33 2HB SER 33 -6.440 -12.465 -6.667 5 HG SER 33 HG SER 33 -7.681 -11.357 -8.230 No H/Q in entry = 5 Start of MODEL 6 1 H ASP 34 H ASP 34 -2.806 -11.259 -9.286 2 HA ASP 34 HA ASP 34 -4.014 -12.026 -11.853 3 HB2 ASP 34 1HB ASP 34 -3.670 -9.662 -11.028 4 HB3 ASP 34 2HB ASP 34 -1.940 -9.888 -11.272 No H/Q in entry = 4 Start of MODEL 6 1 H ILE 35 H ILE 35 -2.867 -14.242 -11.188 2 HA ILE 35 HA ILE 35 -0.069 -14.317 -12.106 3 HB ILE 35 HB ILE 35 -0.750 -15.367 -9.994 4 HG13 ILE 35 HG12 ILE 35 1.318 -15.876 -11.162 5 HG23 ILE 35 HG21 ILE 35 -1.971 -17.445 -9.942 6 HG21 ILE 35 HG22 ILE 35 -2.953 -16.330 -10.891 7 HG22 ILE 35 HG23 ILE 35 -1.977 -17.567 -11.710 8 HD12 ILE 35 HD11 ILE 35 1.807 -18.044 -10.170 9 HD13 ILE 35 HD12 ILE 35 0.907 -17.017 -9.041 10 HD11 ILE 35 HD13 ILE 35 0.086 -18.351 -9.891 11 HG12 ILE 35 HG11 ILE 35 0.526 -17.174 -12.056 No H/Q in entry = 11 Start of MODEL 6 1 H GLU 36 H GLU 36 0.667 -15.681 -13.760 2 HA GLU 36 HA GLU 36 -1.317 -16.692 -15.755 3 HB2 GLU 36 1HB GLU 36 1.082 -14.907 -16.170 4 HB3 GLU 36 2HB GLU 36 0.132 -15.628 -17.487 5 HG2 GLU 36 1HG GLU 36 -1.872 -14.377 -16.709 6 HG3 GLU 36 2HG GLU 36 -0.916 -13.625 -15.422 No H/Q in entry = 6 Start of MODEL 6 1 H VAL 37 H VAL 37 -0.695 -18.674 -14.599 2 HA VAL 37 HA VAL 37 2.032 -19.697 -15.034 3 HB VAL 37 HB VAL 37 -0.302 -21.186 -13.850 4 HG12 VAL 37 HG11 VAL 37 1.547 -22.495 -12.777 5 HG13 VAL 37 HG12 VAL 37 1.605 -22.602 -14.540 6 HG11 VAL 37 HG13 VAL 37 2.729 -21.530 -13.684 7 HG21 VAL 37 HG21 VAL 37 1.711 -19.324 -12.542 8 HG22 VAL 37 HG22 VAL 37 -0.074 -19.285 -12.445 9 HG23 VAL 37 HG23 VAL 37 0.829 -20.577 -11.649 No H/Q in entry = 9 Start of MODEL 6 1 H ASP 38 H ASP 38 1.972 -19.581 -17.328 2 HA ASP 38 HA ASP 38 0.192 -21.414 -18.822 3 HB2 ASP 38 1HB ASP 38 2.444 -19.595 -19.766 4 HB3 ASP 38 2HB ASP 38 1.313 -20.508 -20.781 No H/Q in entry = 4 Start of MODEL 6 1 H LEU 39 H LEU 39 1.193 -23.172 -17.314 2 HA LEU 39 HA LEU 39 3.906 -23.919 -17.712 3 HB2 LEU 39 1HB LEU 39 3.404 -25.881 -16.406 4 HB3 LEU 39 2HB LEU 39 2.622 -24.461 -15.728 5 HG LEU 39 HG LEU 39 0.612 -25.428 -17.370 6 HD11 LEU 39 HD11 LEU 39 1.968 -27.471 -17.939 7 HD13 LEU 39 HD12 LEU 39 0.482 -27.861 -17.063 8 HD12 LEU 39 HD13 LEU 39 2.041 -27.870 -16.215 9 HD22 LEU 39 HD21 LEU 39 0.352 -24.785 -15.000 10 HD21 LEU 39 HD22 LEU 39 1.229 -26.244 -14.488 11 HD23 LEU 39 HD23 LEU 39 -0.356 -26.389 -15.271 No H/Q in entry = 11 Start of MODEL 6 1 H LEU 40 H LEU 40 4.802 -25.712 -18.648 2 HA LEU 40 HA LEU 40 3.386 -26.834 -21.032 3 HB2 LEU 40 1HB LEU 40 6.272 -25.917 -21.002 4 HB3 LEU 40 2HB LEU 40 5.312 -26.382 -22.406 5 HG LEU 40 HG LEU 40 4.972 -23.846 -20.738 6 HD11 LEU 40 HD11 LEU 40 7.040 -23.933 -22.094 7 HD13 LEU 40 HD12 LEU 40 5.901 -22.725 -22.718 8 HD12 LEU 40 HD13 LEU 40 6.073 -24.281 -23.541 9 HD21 LEU 40 HD21 LEU 40 3.595 -24.672 -23.337 10 HD23 LEU 40 HD22 LEU 40 3.459 -23.088 -22.538 11 HD22 LEU 40 HD23 LEU 40 2.800 -24.521 -21.766 No H/Q in entry = 11 Start of MODEL 6 1 H LYS 41 H LYS 41 4.614 -28.625 -22.030 2 HA LYS 41 HA LYS 41 6.756 -29.851 -20.433 3 HB2 LYS 41 1HB LYS 41 6.040 -32.091 -20.876 4 HB3 LYS 41 2HB LYS 41 4.826 -31.242 -19.898 5 HG2 LYS 41 1HG LYS 41 3.470 -30.920 -21.995 6 HG3 LYS 41 2HG LYS 41 4.618 -31.931 -22.872 7 HD2 LYS 41 1HD LYS 41 3.099 -32.866 -20.410 8 HD3 LYS 41 2HD LYS 41 2.556 -33.122 -22.071 9 HE2 LYS 41 1HE LYS 41 5.164 -34.198 -20.906 10 HE3 LYS 41 2HE LYS 41 3.673 -35.110 -21.153 11 HZ1 LYS 41 1HZ LYS 41 3.885 -34.613 -23.513 12 HZ3 LYS 41 2HZ LYS 41 5.166 -35.475 -22.927 13 HZ2 LYS 41 3HZ LYS 41 5.330 -33.868 -23.229 No H/Q in entry = 13 Start of MODEL 6 1 H ASN 42 H ASN 42 8.503 -29.974 -21.736 2 HA ASN 42 HA ASN 42 9.794 -30.079 -23.575 3 HB2 ASN 42 1HB ASN 42 7.537 -31.381 -25.115 4 HB3 ASN 42 2HB ASN 42 9.269 -31.686 -25.222 5 HD21 ASN 42 HD21 ASN 42 10.267 -32.576 -23.063 6 HD22 ASN 42 HD22 ASN 42 9.308 -33.800 -22.251 No H/Q in entry = 6 Start of MODEL 6 1 H GLY 43 H GLY 43 7.721 -27.771 -23.313 2 HA3 GLY 43 1HA GLY 43 7.710 -25.772 -24.558 3 HA2 GLY 43 2HA GLY 43 8.001 -26.648 -26.058 No H/Q in entry = 3 Start of MODEL 6 1 H GLU 44 H GLU 44 5.802 -28.671 -24.923 2 HA GLU 44 HA GLU 44 3.647 -27.521 -26.485 3 HB2 GLU 44 1HB GLU 44 3.675 -30.072 -24.826 4 HB3 GLU 44 2HB GLU 44 2.592 -29.666 -26.159 5 HG2 GLU 44 1HG GLU 44 4.426 -29.835 -27.764 6 HG3 GLU 44 2HG GLU 44 5.607 -30.089 -26.471 No H/Q in entry = 6 Start of MODEL 6 1 H ARG 45 H ARG 45 1.932 -26.345 -25.631 2 HA ARG 45 HA ARG 45 1.497 -26.158 -22.749 3 HB2 ARG 45 1HB ARG 45 1.024 -24.256 -24.211 4 HB3 ARG 45 2HB ARG 45 -0.223 -25.188 -25.063 5 HG2 ARG 45 1HG ARG 45 -1.534 -25.404 -23.000 6 HG3 ARG 45 2HG ARG 45 -0.258 -24.618 -22.056 7 HD2 ARG 45 1HD ARG 45 -1.851 -23.302 -24.297 8 HD3 ARG 45 2HD ARG 45 -2.193 -23.159 -22.562 9 HE ARG 45 HE ARG 45 0.533 -22.441 -23.168 10 HH12 ARG 45 HH11 ARG 45 -2.277 -19.506 -23.118 11 HH11 ARG 45 HH12 ARG 45 -2.798 -21.171 -23.187 12 HH21 ARG 45 HH21 ARG 45 1.167 -20.252 -23.107 13 HH22 ARG 45 HH22 ARG 45 -0.035 -18.983 -23.065 No H/Q in entry = 13 Start of MODEL 6 1 H ILE 46 H ILE 46 0.166 -27.358 -21.541 2 HA ILE 46 HA ILE 46 -0.931 -29.802 -22.747 3 HB ILE 46 HB ILE 46 -0.647 -28.978 -19.833 4 HG13 ILE 46 HG12 ILE 46 1.558 -29.053 -21.012 5 HG22 ILE 46 HG21 ILE 46 -1.126 -31.685 -21.172 6 HG23 ILE 46 HG22 ILE 46 -0.916 -31.429 -19.431 7 HG21 ILE 46 HG23 ILE 46 -2.325 -30.770 -20.237 8 HD12 ILE 46 HD11 ILE 46 1.306 -31.508 -19.267 9 HD13 ILE 46 HD12 ILE 46 2.710 -30.471 -19.542 10 HD11 ILE 46 HD13 ILE 46 1.329 -29.835 -18.642 11 HG12 ILE 46 HG11 ILE 46 1.190 -30.695 -21.564 No H/Q in entry = 11 Start of MODEL 6 1 H GLU 47 H GLU 47 -3.076 -30.192 -22.966 2 HA GLU 47 HA GLU 47 -4.991 -28.040 -22.297 3 HB2 GLU 47 1HB GLU 47 -5.240 -30.528 -24.017 4 HB3 GLU 47 2HB GLU 47 -6.502 -29.307 -23.771 5 HG2 GLU 47 1HG GLU 47 -4.963 -27.554 -24.662 6 HG3 GLU 47 2HG GLU 47 -3.798 -28.813 -25.094 No H/Q in entry = 6 Start of MODEL 6 1 H LYS 48 H LYS 48 -4.053 -29.318 -19.992 2 HA LYS 48 HA LYS 48 -6.553 -29.968 -18.799 3 HB2 LYS 48 1HB LYS 48 -5.954 -32.242 -19.795 4 HB3 LYS 48 2HB LYS 48 -4.554 -32.269 -18.719 5 HG2 LYS 48 1HG LYS 48 -6.193 -31.948 -16.773 6 HG3 LYS 48 2HG LYS 48 -7.509 -32.069 -17.952 7 HD2 LYS 48 1HD LYS 48 -6.704 -34.355 -18.567 8 HD3 LYS 48 2HD LYS 48 -5.414 -34.201 -17.351 9 HE2 LYS 48 1HE LYS 48 -7.181 -33.877 -15.588 10 HE3 LYS 48 2HE LYS 48 -8.423 -34.160 -16.822 11 HZ2 LYS 48 1HZ LYS 48 -6.348 -36.050 -15.971 12 HZ1 LYS 48 2HZ LYS 48 -7.445 -36.328 -17.171 13 HZ3 LYS 48 3HZ LYS 48 -7.955 -36.130 -15.615 No H/Q in entry = 13 Start of MODEL 6 1 H VAL 49 H VAL 49 -5.427 -27.897 -18.102 2 HA VAL 49 HA VAL 49 -3.449 -28.245 -15.938 3 HB VAL 49 HB VAL 49 -4.930 -25.809 -16.973 4 HG13 VAL 49 HG11 VAL 49 -4.313 -25.468 -14.630 5 HG11 VAL 49 HG12 VAL 49 -2.678 -26.084 -14.947 6 HG12 VAL 49 HG13 VAL 49 -3.212 -24.547 -15.664 7 HG23 VAL 49 HG21 VAL 49 -2.712 -25.209 -17.936 8 HG21 VAL 49 HG22 VAL 49 -2.043 -26.747 -17.352 9 HG22 VAL 49 HG23 VAL 49 -3.294 -26.736 -18.612 No H/Q in entry = 9 Start of MODEL 6 1 H GLU 50 H GLU 50 -4.056 -28.564 -13.876 2 HA GLU 50 HA GLU 50 -6.911 -28.150 -13.065 3 HB2 GLU 50 1HB GLU 50 -5.021 -30.349 -12.173 4 HB3 GLU 50 2HB GLU 50 -6.689 -30.072 -11.633 5 HG2 GLU 50 1HG GLU 50 -7.522 -30.537 -13.904 6 HG3 GLU 50 2HG GLU 50 -5.866 -30.744 -14.500 No H/Q in entry = 6 Start of MODEL 6 1 H HIS 51 H HIS 51 -7.144 -26.852 -11.374 2 HA HIS 51 HA HIS 51 -4.782 -26.126 -9.704 3 HB2 HIS 51 1HB HIS 51 -5.553 -23.808 -9.762 4 HB3 HIS 51 2HB HIS 51 -5.007 -24.403 -11.327 5 HD1 HIS 51 HD1 HIS 51 -8.231 -23.500 -9.477 6 HD2 HIS 51 HD2 HIS 51 -6.871 -24.245 -13.371 7 HE1 HIS 51 HE1 HIS 51 -10.096 -22.844 -11.067 No H/Q in entry = 7 Start of MODEL 6 1 H SER 52 H SER 52 -5.225 -25.425 -7.593 2 HA SER 52 HA SER 52 -7.614 -26.636 -6.391 3 HB2 SER 52 1HB SER 52 -6.500 -26.048 -4.276 4 HB3 SER 52 2HB SER 52 -5.417 -26.938 -5.358 5 HG SER 52 HG SER 52 -5.495 -24.117 -5.030 No H/Q in entry = 5 Start of MODEL 6 1 H ASP 53 H ASP 53 -7.119 -23.760 -7.963 2 HA ASP 53 HA ASP 53 -8.132 -21.810 -8.067 3 HB2 ASP 53 1HB ASP 53 -10.180 -23.276 -7.358 4 HB3 ASP 53 2HB ASP 53 -10.018 -22.474 -5.789 No H/Q in entry = 4 Start of MODEL 6 1 H LEU 54 H LEU 54 -8.801 -19.829 -6.552 2 HA LEU 54 HA LEU 54 -6.361 -19.067 -5.263 3 HB2 LEU 54 1HB LEU 54 -7.922 -17.633 -6.671 4 HB3 LEU 54 2HB LEU 54 -9.058 -17.661 -5.330 5 HG LEU 54 HG LEU 54 -6.854 -16.832 -3.976 6 HD12 LEU 54 HD11 LEU 54 -5.605 -15.201 -5.418 7 HD11 LEU 54 HD12 LEU 54 -6.464 -15.810 -6.837 8 HD13 LEU 54 HD13 LEU 54 -5.364 -16.880 -5.944 9 HD21 LEU 54 HD21 LEU 54 -8.627 -15.029 -5.686 10 HD23 LEU 54 HD22 LEU 54 -7.665 -14.510 -4.284 11 HD22 LEU 54 HD23 LEU 54 -9.011 -15.642 -4.062 No H/Q in entry = 11 Start of MODEL 6 1 H SER 55 H SER 55 -6.278 -20.709 -3.576 2 HA SER 55 HA SER 55 -8.307 -20.640 -1.440 3 HB2 SER 55 1HB SER 55 -5.845 -22.387 -1.795 4 HB3 SER 55 2HB SER 55 -7.118 -22.587 -0.569 5 HG SER 55 HG SER 55 -8.597 -22.810 -2.336 No H/Q in entry = 5 Start of MODEL 6 1 H PHE 56 H PHE 56 -7.886 -20.100 0.671 2 HA PHE 56 HA PHE 56 -5.845 -17.984 0.942 3 HB2 PHE 56 1HB PHE 56 -8.318 -18.530 2.596 4 HB3 PHE 56 2HB PHE 56 -7.360 -17.055 2.536 5 HD1 PHE 56 HD1 PHE 56 -7.425 -15.617 0.449 6 HD2 PHE 56 HD2 PHE 56 -9.962 -19.072 0.905 7 HE1 PHE 56 HE1 PHE 56 -8.830 -14.855 -1.463 8 HE2 PHE 56 HE2 PHE 56 -11.347 -18.307 -1.000 9 HZ PHE 56 HZ PHE 56 -10.799 -16.183 -2.166 No H/Q in entry = 9 Start of MODEL 6 1 H SER 57 H SER 57 -3.972 -18.616 2.024 2 HA SER 57 HA SER 57 -3.828 -20.862 3.783 3 HB2 SER 57 1HB SER 57 -1.938 -18.486 3.691 4 HB3 SER 57 2HB SER 57 -1.607 -20.097 4.330 5 HG SER 57 HG SER 57 -0.827 -19.740 2.182 No H/Q in entry = 5 Start of MODEL 6 1 H LYS 58 H LYS 58 -3.932 -17.327 4.415 2 HA LYS 58 HA LYS 58 -5.640 -17.729 6.728 3 HB2 LYS 58 1HB LYS 58 -4.176 -16.520 8.313 4 HB3 LYS 58 2HB LYS 58 -3.483 -18.061 7.815 5 HG2 LYS 58 1HG LYS 58 -1.937 -16.969 6.281 6 HG3 LYS 58 2HG LYS 58 -2.690 -15.388 6.570 7 HD2 LYS 58 1HD LYS 58 -2.031 -15.478 8.938 8 HD3 LYS 58 2HD LYS 58 -1.294 -17.076 8.687 9 HE2 LYS 58 1HE LYS 58 0.307 -16.102 7.076 10 HE3 LYS 58 2HE LYS 58 -0.455 -14.508 7.261 11 HZ1 LYS 58 1HZ LYS 58 0.869 -16.023 9.396 12 HZ3 LYS 58 2HZ LYS 58 0.165 -14.541 9.558 13 HZ2 LYS 58 3HZ LYS 58 1.497 -14.720 8.603 No H/Q in entry = 13 Start of MODEL 6 1 H ASP 59 H ASP 59 -5.826 -16.545 4.099 2 HA ASP 59 HA ASP 59 -6.537 -14.783 2.977 3 HB2 ASP 59 1HB ASP 59 -8.068 -14.324 4.888 4 HB3 ASP 59 2HB ASP 59 -6.850 -13.239 5.582 No H/Q in entry = 4 Start of MODEL 6 1 H GLY 60 H GLY 60 -5.716 -12.885 1.963 2 HA3 GLY 60 1HA GLY 60 -3.928 -11.758 1.083 3 HA2 GLY 60 2HA GLY 60 -3.469 -11.384 2.754 No H/Q in entry = 3 Start of MODEL 6 1 H SER 61 H SER 61 -3.657 -14.362 0.777 2 HA SER 61 HA SER 61 -0.918 -15.027 0.569 3 HB2 SER 61 1HB SER 61 -0.931 -16.903 2.299 4 HB3 SER 61 2HB SER 61 -0.732 -15.276 2.938 5 HG SER 61 HG SER 61 -2.278 -16.390 4.137 No H/Q in entry = 5 Start of MODEL 6 1 H PHE 62 H PHE 62 -1.852 -15.446 -1.462 2 HA PHE 62 HA PHE 62 -4.155 -17.257 -1.624 3 HB2 PHE 62 1HB PHE 62 -2.877 -15.542 -3.759 4 HB3 PHE 62 2HB PHE 62 -4.467 -16.300 -3.759 5 HD1 PHE 62 HD1 PHE 62 -2.575 -13.354 -2.919 6 HD2 PHE 62 HD2 PHE 62 -6.143 -15.518 -1.876 7 HE1 PHE 62 HE1 PHE 62 -3.551 -11.279 -1.989 8 HE2 PHE 62 HE2 PHE 62 -7.055 -13.459 -0.806 9 HZ PHE 62 HZ PHE 62 -5.785 -11.337 -0.908 No H/Q in entry = 9 Start of MODEL 6 1 H TYR 63 H TYR 63 -3.417 -19.385 -1.575 2 HA TYR 63 HA TYR 63 -1.157 -20.163 -3.299 3 HB2 TYR 63 1HB TYR 63 -0.921 -22.044 -2.042 4 HB3 TYR 63 2HB TYR 63 -1.182 -20.712 -0.924 5 HD1 TYR 63 HD1 TYR 63 -2.501 -23.885 -2.253 6 HD2 TYR 63 HD2 TYR 63 -3.312 -20.597 0.400 7 HE1 TYR 63 HE1 TYR 63 -4.049 -25.319 -0.958 8 HE2 TYR 63 HE2 TYR 63 -4.861 -22.034 1.706 9 HH TYR 63 HH TYR 63 -5.487 -25.449 0.829 No H/Q in entry = 9 Start of MODEL 6 1 H LEU 64 H LEU 64 -1.570 -20.897 -5.329 2 HA LEU 64 HA LEU 64 -3.877 -22.724 -5.771 3 HB2 LEU 64 1HB LEU 64 -1.988 -21.411 -7.699 4 HB3 LEU 64 2HB LEU 64 -3.200 -22.631 -8.107 5 HG LEU 64 HG LEU 64 -4.783 -20.967 -6.661 6 HD13 LEU 64 HD11 LEU 64 -4.355 -18.674 -7.270 7 HD12 LEU 64 HD12 LEU 64 -2.825 -19.133 -8.057 8 HD11 LEU 64 HD13 LEU 64 -3.020 -19.297 -6.291 9 HD22 LEU 64 HD21 LEU 64 -5.380 -21.784 -8.836 10 HD21 LEU 64 HD22 LEU 64 -4.181 -20.728 -9.615 11 HD23 LEU 64 HD23 LEU 64 -5.590 -20.032 -8.789 No H/Q in entry = 11 Start of MODEL 6 1 H LEU 65 H LEU 65 -3.246 -24.653 -7.205 2 HA LEU 65 HA LEU 65 -0.554 -25.799 -6.746 3 HB2 LEU 65 1HB LEU 65 -2.045 -26.629 -4.895 4 HB3 LEU 65 2HB LEU 65 -3.187 -27.195 -6.112 5 HG LEU 65 HG LEU 65 -1.229 -28.646 -7.031 6 HD13 LEU 65 HD11 LEU 65 0.621 -27.562 -5.787 7 HD12 LEU 65 HD12 LEU 65 0.456 -29.269 -5.348 8 HD11 LEU 65 HD13 LEU 65 -0.145 -28.028 -4.247 9 HD23 LEU 65 HD21 LEU 65 -2.390 -29.219 -4.274 10 HD22 LEU 65 HD22 LEU 65 -1.708 -30.417 -5.397 11 HD21 LEU 65 HD23 LEU 65 -3.188 -29.546 -5.827 No H/Q in entry = 11 Start of MODEL 6 1 H TYR 66 H TYR 66 -0.183 -25.393 -8.971 2 HA TYR 66 HA TYR 66 -2.159 -26.223 -10.976 3 HB2 TYR 66 1HB TYR 66 0.554 -24.910 -11.073 4 HB3 TYR 66 2HB TYR 66 -0.277 -25.466 -12.519 5 HD1 TYR 66 HD1 TYR 66 -2.248 -24.346 -13.363 6 HD2 TYR 66 HD2 TYR 66 -0.328 -22.991 -9.760 7 HE1 TYR 66 HE1 TYR 66 -3.402 -22.164 -13.578 8 HE2 TYR 66 HE2 TYR 66 -1.411 -20.771 -10.022 9 HH TYR 66 HH TYR 66 -3.614 -20.027 -12.748 No H/Q in entry = 9 Start of MODEL 6 1 H TYR 67 H TYR 67 -2.293 -28.490 -10.511 2 HA TYR 67 HA TYR 67 0.139 -30.105 -10.916 3 HB2 TYR 67 1HB TYR 67 -1.028 -31.923 -9.983 4 HB3 TYR 67 2HB TYR 67 -1.067 -30.520 -8.926 5 HD1 TYR 67 HD1 TYR 67 -3.200 -29.452 -8.345 6 HD2 TYR 67 HD2 TYR 67 -3.042 -32.958 -10.822 7 HE1 TYR 67 HE1 TYR 67 -5.662 -29.666 -8.182 8 HE2 TYR 67 HE2 TYR 67 -5.478 -33.266 -10.541 9 HH TYR 67 HH TYR 67 -7.515 -30.902 -8.777 No H/Q in entry = 9 Start of MODEL 6 1 H THR 68 H THR 68 0.518 -30.408 -13.123 2 HA THR 68 HA THR 68 -1.637 -31.571 -14.792 3 HB THR 68 HB THR 68 -0.131 -29.896 -15.734 4 HG1 THR 68 HG1 THR 68 0.126 -31.105 -17.611 5 HG23 THR 68 HG21 THR 68 2.143 -30.533 -16.421 6 HG22 THR 68 HG22 THR 68 2.017 -32.073 -15.568 7 HG21 THR 68 HG23 THR 68 2.032 -30.548 -14.654 No H/Q in entry = 7 Start of MODEL 6 1 H GLU 69 H GLU 69 -1.309 -33.702 -15.781 2 HA GLU 69 HA GLU 69 0.177 -35.638 -14.109 3 HB2 GLU 69 1HB GLU 69 -2.212 -35.976 -14.900 4 HB3 GLU 69 2HB GLU 69 -1.573 -36.232 -16.523 5 HG2 GLU 69 1HG GLU 69 -0.851 -37.799 -13.994 6 HG3 GLU 69 2HG GLU 69 -1.935 -38.351 -15.273 No H/Q in entry = 6 Start of MODEL 6 1 H PHE 70 H PHE 70 2.336 -35.288 -14.582 2 HA PHE 70 HA PHE 70 3.230 -35.078 -17.372 3 HB2 PHE 70 1HB PHE 70 5.221 -34.327 -16.575 4 HB3 PHE 70 2HB PHE 70 4.001 -33.504 -15.627 5 HD1 PHE 70 HD1 PHE 70 3.757 -34.161 -13.188 6 HD2 PHE 70 HD2 PHE 70 6.923 -35.696 -15.660 7 HE1 PHE 70 HE1 PHE 70 5.185 -34.524 -11.162 8 HE2 PHE 70 HE2 PHE 70 8.224 -36.262 -13.639 9 HZ PHE 70 HZ PHE 70 7.403 -35.574 -11.393 No H/Q in entry = 9 Start of MODEL 6 1 H THR 71 H THR 71 4.056 -36.759 -18.483 2 HA THR 71 HA THR 71 4.872 -39.261 -17.120 3 HB THR 71 HB THR 71 4.251 -38.710 -20.015 4 HG1 THR 71 HG1 THR 71 2.732 -39.778 -17.876 5 HG23 THR 71 HG21 THR 71 5.718 -40.705 -19.658 6 HG22 THR 71 HG22 THR 71 4.077 -41.163 -20.139 7 HG21 THR 71 HG23 THR 71 4.575 -41.312 -18.441 No H/Q in entry = 7 Start of MODEL 6 1 HA PRO 72 HA PRO 72 8.986 -37.418 -18.392 2 HB2 PRO 72 1HB PRO 72 10.545 -38.279 -16.366 3 HB3 PRO 72 2HB PRO 72 9.330 -36.996 -16.121 4 HG2 PRO 72 1HG PRO 72 9.013 -39.946 -15.496 5 HG3 PRO 72 2HG PRO 72 8.669 -38.549 -14.443 6 HD2 PRO 72 1HD PRO 72 6.755 -39.817 -15.968 7 HD3 PRO 72 2HD PRO 72 6.670 -38.079 -15.575 No H/Q in entry = 7 Start of MODEL 6 1 H THR 73 H THR 73 8.613 -38.893 -20.216 2 HA THR 73 HA THR 73 9.047 -41.635 -20.251 3 HB THR 73 HB THR 73 9.549 -39.595 -22.464 4 HG1 THR 73 HG1 THR 73 7.235 -41.025 -21.678 5 HG23 THR 73 HG21 THR 73 10.438 -41.829 -23.062 6 HG22 THR 73 HG22 THR 73 8.974 -41.451 -23.984 7 HG21 THR 73 HG23 THR 73 8.886 -42.571 -22.607 No H/Q in entry = 7 Start of MODEL 6 1 H GLU 74 H GLU 74 11.429 -39.127 -21.321 2 HA GLU 74 HA GLU 74 13.580 -40.445 -19.929 3 HB2 GLU 74 1HB GLU 74 13.464 -41.921 -21.906 4 HB3 GLU 74 2HB GLU 74 13.615 -40.533 -22.983 5 HG2 GLU 74 1HG GLU 74 15.875 -40.053 -21.958 6 HG3 GLU 74 2HG GLU 74 15.672 -41.480 -20.932 No H/Q in entry = 6 Start of MODEL 6 1 H LYS 75 H LYS 75 13.689 -38.524 -22.942 2 HA LYS 75 HA LYS 75 15.398 -36.561 -21.568 3 HB2 LYS 75 1HB LYS 75 16.012 -37.743 -23.701 4 HB3 LYS 75 2HB LYS 75 14.710 -36.865 -24.514 5 HG2 LYS 75 1HG LYS 75 15.851 -34.710 -23.905 6 HG3 LYS 75 2HG LYS 75 17.129 -35.633 -23.097 7 HD2 LYS 75 1HD LYS 75 17.745 -36.717 -25.196 8 HD3 LYS 75 2HD LYS 75 16.385 -35.960 -26.042 9 HE2 LYS 75 1HE LYS 75 18.695 -34.429 -24.763 10 HE3 LYS 75 2HE LYS 75 18.571 -34.843 -26.483 11 HZ2 LYS 75 1HZ LYS 75 16.692 -33.153 -24.996 12 HZ1 LYS 75 2HZ LYS 75 16.538 -33.590 -26.577 13 HZ3 LYS 75 3HZ LYS 75 17.805 -32.647 -26.102 No H/Q in entry = 13 Start of MODEL 6 1 H ASP 76 H ASP 76 12.964 -36.303 -20.521 2 HA ASP 76 HA ASP 76 11.439 -34.260 -21.994 3 HB2 ASP 76 1HB ASP 76 10.933 -35.658 -19.347 4 HB3 ASP 76 2HB ASP 76 9.876 -34.444 -20.091 No H/Q in entry = 4 Start of MODEL 6 1 H GLU 77 H GLU 77 10.824 -32.255 -20.961 2 HA GLU 77 HA GLU 77 12.441 -31.257 -18.730 3 HB2 GLU 77 1HB GLU 77 13.112 -29.236 -20.032 4 HB3 GLU 77 2HB GLU 77 14.000 -30.715 -20.370 5 HG2 GLU 77 1HG GLU 77 11.761 -29.656 -22.156 6 HG3 GLU 77 2HG GLU 77 13.471 -29.292 -22.365 No H/Q in entry = 6 Start of MODEL 6 1 H TYR 78 H TYR 78 10.813 -30.807 -17.465 2 HA TYR 78 HA TYR 78 8.345 -29.530 -18.447 3 HB2 TYR 78 1HB TYR 78 9.160 -30.684 -15.757 4 HB3 TYR 78 2HB TYR 78 7.573 -30.024 -16.140 5 HD1 TYR 78 HD1 TYR 78 9.877 -32.872 -16.708 6 HD2 TYR 78 HD2 TYR 78 6.061 -31.142 -17.721 7 HE1 TYR 78 HE1 TYR 78 9.187 -35.006 -17.745 8 HE2 TYR 78 HE2 TYR 78 5.415 -33.255 -18.838 9 HH TYR 78 HH TYR 78 7.628 -36.036 -19.150 No H/Q in entry = 9 Start of MODEL 6 1 H ALA 79 H ALA 79 7.609 -27.526 -17.720 2 HA ALA 79 HA ALA 79 8.990 -26.103 -15.622 3 HB3 ALA 79 1HB ALA 79 9.197 -25.020 -18.466 4 HB2 ALA 79 2HB ALA 79 9.627 -24.141 -16.981 5 HB1 ALA 79 3HB ALA 79 10.546 -25.580 -17.453 No H/Q in entry = 5 Start of MODEL 6 1 H CYS 80 H CYS 80 7.468 -25.167 -14.514 2 HA CYS 80 HA CYS 80 4.965 -24.168 -15.691 3 HB2 CYS 80 1HB CYS 80 6.118 -24.201 -12.899 4 HB3 CYS 80 2HB CYS 80 4.663 -23.293 -13.323 No H/Q in entry = 4 Start of MODEL 6 1 H ARG 81 H ARG 81 4.896 -22.222 -16.644 2 HA ARG 81 HA ARG 81 7.178 -20.361 -16.432 3 HB2 ARG 81 1HB ARG 81 4.740 -20.362 -18.241 4 HB3 ARG 81 2HB ARG 81 6.092 -19.210 -18.276 5 HG2 ARG 81 1HG ARG 81 7.638 -21.240 -18.553 6 HG3 ARG 81 2HG ARG 81 6.180 -22.193 -18.871 7 HD2 ARG 81 1HD ARG 81 7.091 -19.714 -20.396 8 HD3 ARG 81 2HD ARG 81 7.243 -21.388 -20.962 9 HE ARG 81 HE ARG 81 4.571 -21.190 -20.449 10 HH12 ARG 81 HH11 ARG 81 5.529 -18.813 -23.600 11 HH11 ARG 81 HH12 ARG 81 6.762 -19.187 -22.422 12 HH21 ARG 81 HH21 ARG 81 3.001 -20.679 -21.991 13 HH22 ARG 81 HH22 ARG 81 3.383 -19.644 -23.349 No H/Q in entry = 13 Start of MODEL 6 1 H VAL 82 H VAL 82 6.913 -19.422 -14.389 2 HA VAL 82 HA VAL 82 4.173 -18.834 -13.477 3 HB VAL 82 HB VAL 82 6.777 -18.611 -11.924 4 HG12 VAL 82 HG11 VAL 82 3.863 -18.915 -11.066 5 HG13 VAL 82 HG12 VAL 82 5.269 -18.834 -9.982 6 HG11 VAL 82 HG13 VAL 82 4.805 -17.420 -10.936 7 HG21 VAL 82 HG21 VAL 82 4.849 -20.955 -12.210 8 HG22 VAL 82 HG22 VAL 82 6.562 -20.919 -12.677 9 HG23 VAL 82 HG23 VAL 82 6.118 -20.832 -10.977 No H/Q in entry = 9 Start of MODEL 6 1 H ASN 83 H ASN 83 4.037 -17.148 -15.248 2 HA ASN 83 HA ASN 83 5.428 -14.616 -14.757 3 HB2 ASN 83 1HB ASN 83 3.172 -15.402 -16.643 4 HB3 ASN 83 2HB ASN 83 3.865 -13.783 -16.524 5 HD21 ASN 83 HD21 ASN 83 4.782 -17.231 -17.110 6 HD22 ASN 83 HD22 ASN 83 6.047 -16.856 -18.261 No H/Q in entry = 6 Start of MODEL 6 1 H HIS 84 H HIS 84 4.323 -12.700 -14.098 2 HA HIS 84 HA HIS 84 1.711 -12.798 -12.839 3 HB2 HIS 84 1HB HIS 84 3.124 -13.962 -11.141 4 HB3 HIS 84 2HB HIS 84 4.251 -12.601 -11.158 5 HD2 HIS 84 HD2 HIS 84 0.420 -13.139 -10.210 6 HE1 HIS 84 HE1 HIS 84 2.090 -10.112 -7.794 7 HE2 HIS 84 HE2 HIS 84 -0.033 -11.424 -8.291 No H/Q in entry = 7 Start of MODEL 6 1 H VAL 85 H VAL 85 1.226 -10.584 -11.897 2 HA VAL 85 HA VAL 85 1.960 -8.623 -13.767 3 HB VAL 85 HB VAL 85 -0.138 -8.652 -12.554 4 HG11 VAL 85 HG11 VAL 85 0.626 -9.218 -10.279 5 HG12 VAL 85 HG12 VAL 85 1.382 -7.614 -10.126 6 HG13 VAL 85 HG13 VAL 85 -0.376 -7.764 -10.298 7 HG21 VAL 85 HG21 VAL 85 0.705 -6.595 -13.676 8 HG22 VAL 85 HG22 VAL 85 -0.404 -6.270 -12.335 9 HG23 VAL 85 HG23 VAL 85 1.341 -6.032 -12.115 No H/Q in entry = 9 Start of MODEL 6 1 H THR 86 H THR 86 3.379 -9.312 -10.544 2 HA THR 86 HA THR 86 5.071 -6.955 -10.600 3 HB THR 86 HB THR 86 6.151 -7.895 -8.658 4 HG1 THR 86 HG1 THR 86 4.572 -10.190 -9.150 5 HG23 THR 86 HG21 THR 86 4.210 -8.035 -7.156 6 HG22 THR 86 HG22 THR 86 3.123 -8.242 -8.538 7 HG21 THR 86 HG23 THR 86 4.014 -6.727 -8.348 No H/Q in entry = 7 Start of MODEL 6 1 H LEU 87 H LEU 87 5.559 -10.456 -11.309 2 HA LEU 87 HA LEU 87 8.365 -10.202 -11.798 3 HB2 LEU 87 1HB LEU 87 6.354 -12.325 -12.645 4 HB3 LEU 87 2HB LEU 87 8.103 -12.470 -12.848 5 HG LEU 87 HG LEU 87 6.694 -12.158 -10.155 6 HD11 LEU 87 HD11 LEU 87 7.815 -14.578 -11.630 7 HD13 LEU 87 HD12 LEU 87 6.126 -14.286 -11.160 8 HD12 LEU 87 HD13 LEU 87 7.360 -14.579 -9.919 9 HD22 LEU 87 HD21 LEU 87 9.031 -11.330 -10.060 10 HD21 LEU 87 HD22 LEU 87 9.596 -12.821 -10.850 11 HD23 LEU 87 HD23 LEU 87 8.884 -12.873 -9.225 No H/Q in entry = 11 Start of MODEL 6 1 H SER 88 H SER 88 5.712 -10.770 -14.128 2 HA SER 88 HA SER 88 5.322 -10.120 -16.207 3 HB2 SER 88 1HB SER 88 6.093 -7.861 -15.564 4 HB3 SER 88 2HB SER 88 7.742 -8.269 -16.091 5 HG SER 88 HG SER 88 5.431 -8.393 -17.717 No H/Q in entry = 5 Start of MODEL 6 1 H GLN 89 H GLN 89 8.838 -10.618 -15.715 2 HA GLN 89 HA GLN 89 9.373 -11.566 -18.322 3 HB2 GLN 89 1HB GLN 89 10.864 -12.065 -15.703 4 HB3 GLN 89 2HB GLN 89 11.544 -12.270 -17.318 5 HG2 GLN 89 1HG GLN 89 10.657 -9.660 -16.015 6 HG3 GLN 89 2HG GLN 89 12.301 -10.162 -16.395 7 HE21 GLN 89 HE21 GLN 89 12.784 -10.573 -18.780 8 HE22 GLN 89 HE22 GLN 89 12.008 -9.516 -19.942 No H/Q in entry = 8 Start of MODEL 6 1 HA PRO 90 HA PRO 90 7.959 -15.783 -18.147 2 HB2 PRO 90 1HB PRO 90 9.702 -17.089 -19.796 3 HB3 PRO 90 2HB PRO 90 8.475 -15.931 -20.378 4 HG2 PRO 90 1HG PRO 90 11.402 -15.383 -19.811 5 HG3 PRO 90 2HG PRO 90 10.467 -14.957 -21.273 6 HD2 PRO 90 1HD PRO 90 10.881 -13.158 -19.301 7 HD3 PRO 90 2HD PRO 90 9.299 -13.233 -20.127 No H/Q in entry = 7 Start of MODEL 6 1 H LYS 91 H LYS 91 8.163 -16.698 -16.143 2 HA LYS 91 HA LYS 91 10.836 -17.049 -14.960 3 HB2 LYS 91 1HB LYS 91 8.925 -15.977 -13.730 4 HB3 LYS 91 2HB LYS 91 8.069 -17.514 -13.822 5 HG2 LYS 91 1HG LYS 91 9.028 -17.512 -11.682 6 HG3 LYS 91 2HG LYS 91 10.108 -18.552 -12.619 7 HD2 LYS 91 1HD LYS 91 11.647 -16.543 -12.917 8 HD3 LYS 91 2HD LYS 91 10.526 -15.609 -11.913 9 HE2 LYS 91 1HE LYS 91 12.366 -16.346 -10.538 10 HE3 LYS 91 2HE LYS 91 10.913 -17.227 -10.037 11 HZ3 LYS 91 1HZ LYS 91 11.686 -19.092 -11.301 12 HZ2 LYS 91 2HZ LYS 91 12.849 -18.627 -10.233 13 HZ1 LYS 91 3HZ LYS 91 13.005 -18.256 -11.832 No H/Q in entry = 13 Start of MODEL 6 1 H ILE 92 H ILE 92 11.452 -18.707 -16.541 2 HA ILE 92 HA ILE 92 10.015 -21.210 -16.727 3 HB ILE 92 HB ILE 92 12.926 -20.676 -17.426 4 HG13 ILE 92 HG12 ILE 92 12.190 -20.257 -19.729 5 HG21 ILE 92 HG21 ILE 92 12.259 -23.055 -17.371 6 HG22 ILE 92 HG22 ILE 92 10.917 -22.715 -18.473 7 HG23 ILE 92 HG23 ILE 92 12.591 -22.517 -19.021 8 HD11 ILE 92 HD11 ILE 92 9.821 -21.094 -19.612 9 HD12 ILE 92 HD12 ILE 92 9.434 -19.700 -18.566 10 HD13 ILE 92 HD13 ILE 92 9.976 -19.447 -20.233 11 HG12 ILE 92 HG11 ILE 92 11.767 -18.973 -18.602 No H/Q in entry = 11 Start of MODEL 6 1 H VAL 93 H VAL 93 9.682 -21.871 -14.551 2 HA VAL 93 HA VAL 93 11.927 -22.219 -12.741 3 HB VAL 93 HB VAL 93 9.072 -23.283 -12.539 4 HG13 VAL 93 HG11 VAL 93 10.525 -24.598 -11.108 5 HG11 VAL 93 HG12 VAL 93 11.423 -23.154 -10.595 6 HG12 VAL 93 HG13 VAL 93 9.751 -23.382 -10.077 7 HG23 VAL 93 HG21 VAL 93 8.717 -21.467 -10.984 8 HG21 VAL 93 HG22 VAL 93 10.363 -20.845 -11.284 9 HG22 VAL 93 HG23 VAL 93 9.134 -20.825 -12.571 No H/Q in entry = 9 Start of MODEL 6 1 H LYS 94 H LYS 94 13.152 -24.008 -12.489 2 HA LYS 94 HA LYS 94 12.837 -26.217 -14.442 3 HB2 LYS 94 1HB LYS 94 15.114 -25.398 -12.590 4 HB3 LYS 94 2HB LYS 94 15.123 -26.786 -13.695 5 HG2 LYS 94 1HG LYS 94 14.689 -25.185 -15.604 6 HG3 LYS 94 2HG LYS 94 14.882 -23.839 -14.464 7 HD2 LYS 94 1HD LYS 94 17.174 -24.637 -13.910 8 HD3 LYS 94 2HD LYS 94 16.973 -25.995 -15.035 9 HE2 LYS 94 1HE LYS 94 16.686 -24.393 -16.915 10 HE3 LYS 94 2HE LYS 94 16.920 -23.039 -15.789 11 HZ1 LYS 94 1HZ LYS 94 19.101 -23.908 -15.323 12 HZ3 LYS 94 2HZ LYS 94 18.925 -23.587 -16.931 13 HZ2 LYS 94 3HZ LYS 94 18.876 -25.143 -16.391 No H/Q in entry = 13 Start of MODEL 6 1 H TRP 95 H TRP 95 11.321 -27.612 -13.628 2 HA TRP 95 HA TRP 95 10.962 -28.478 -10.966 3 HB2 TRP 95 1HB TRP 95 9.367 -29.124 -12.671 4 HB3 TRP 95 2HB TRP 95 10.631 -29.847 -13.643 5 HD1 TRP 95 HD1 TRP 95 9.486 -30.520 -9.976 6 HE1 TRP 95 HE1 TRP 95 9.416 -33.057 -9.612 7 HE3 TRP 95 HE3 TRP 95 10.837 -32.014 -14.648 8 HZ2 TRP 95 HZ2 TRP 95 9.942 -35.433 -11.145 9 HZ3 TRP 95 HZ3 TRP 95 11.115 -34.434 -15.167 10 HH2 TRP 95 HH2 TRP 95 10.702 -36.137 -13.419 No H/Q in entry = 10 Start of MODEL 6 1 H ASP 96 H ASP 96 12.581 -29.175 -9.684 2 HA ASP 96 HA ASP 96 14.940 -30.529 -10.806 3 HB2 ASP 96 1HB ASP 96 14.338 -29.447 -8.038 4 HB3 ASP 96 2HB ASP 96 15.866 -30.188 -8.545 No H/Q in entry = 4 Start of MODEL 6 1 H ARG 97 H ARG 97 14.140 -32.556 -11.356 2 HA ARG 97 HA ARG 97 12.565 -34.215 -9.752 3 HB2 ARG 97 1HB ARG 97 13.123 -35.991 -11.192 4 HB3 ARG 97 2HB ARG 97 12.933 -34.523 -12.147 5 HG2 ARG 97 1HG ARG 97 15.623 -35.787 -11.441 6 HG3 ARG 97 2HG ARG 97 14.697 -36.042 -12.913 7 HD2 ARG 97 1HD ARG 97 16.143 -34.453 -13.659 8 HD3 ARG 97 2HD ARG 97 14.760 -33.452 -13.195 9 HE ARG 97 HE ARG 97 16.855 -33.922 -11.157 10 HH12 ARG 97 HH11 ARG 97 16.611 -30.340 -13.044 11 HH11 ARG 97 HH12 ARG 97 15.746 -31.700 -13.715 12 HH21 ARG 97 HH21 ARG 97 17.952 -32.124 -10.318 13 HH22 ARG 97 HH22 ARG 97 17.843 -30.572 -11.109 No H/Q in entry = 13 Start of MODEL 6 1 H ASP 98 H ASP 98 16.045 -33.696 -9.667 2 HA ASP 98 HA ASP 98 16.668 -35.884 -7.853 3 HB2 ASP 98 1HB ASP 98 18.301 -35.047 -9.480 4 HB3 ASP 98 2HB ASP 98 18.204 -33.423 -8.784 No H/Q in entry = 4 Start of MODEL 6 1 H MET 99 H MET 99 16.365 -32.325 -7.697 2 HA MET 99 HA MET 99 16.037 -30.833 -6.101 3 HB2 MET 99 1HB MET 99 13.974 -32.114 -5.662 4 HB3 MET 99 2HB MET 99 14.812 -33.069 -4.432 5 HG2 MET 99 1HG MET 99 15.281 -30.987 -3.158 6 HG3 MET 99 2HG MET 99 14.435 -30.046 -4.396 7 HE2 MET 99 1HE MET 99 13.112 -28.970 -2.280 8 HE3 MET 99 2HE MET 99 12.172 -29.953 -1.133 9 HE1 MET 99 3HE MET 99 13.944 -30.086 -1.169 No H/Q in entry = 9 Start of MODEL 7 1 H1 MET 0 2H MET 0 -0.981 -1.712 -0.032 2 H2 MET 0 3H MET 0 0.094 -0.654 -0.697 3 H3 MET 0 1H MET 0 -1.519 -0.492 -1.001 4 HA MET 0 HA MET 0 -1.590 -2.527 -2.183 5 HB2 MET 0 1HB MET 0 0.603 -0.644 -3.135 6 HB3 MET 0 2HB MET 0 -0.145 -1.920 -4.115 7 HG2 MET 0 1HG MET 0 -2.361 -0.856 -3.804 8 HG3 MET 0 2HG MET 0 -1.601 0.451 -2.880 9 HE3 MET 0 1HE MET 0 -3.534 0.960 -5.308 10 HE1 MET 0 2HE MET 0 -2.738 2.244 -4.367 11 HE2 MET 0 3HE MET 0 -2.659 2.264 -6.144 No H/Q in entry = 11 Start of MODEL 7 1 H ILE 1 H ILE 1 -1.006 -4.355 -1.057 2 HA ILE 1 HA ILE 1 1.767 -5.014 -0.506 3 HB ILE 1 HB ILE 1 0.055 -5.618 1.039 4 HG13 ILE 1 HG12 ILE 1 2.129 -6.978 0.795 5 HG23 ILE 1 HG21 ILE 1 -1.682 -7.200 0.730 6 HG21 ILE 1 HG22 ILE 1 -1.840 -6.075 -0.610 7 HG22 ILE 1 HG23 ILE 1 -1.112 -7.672 -0.871 8 HD13 ILE 1 HD11 ILE 1 1.455 -8.808 2.188 9 HD11 ILE 1 HD12 ILE 1 0.476 -7.407 2.647 10 HD12 ILE 1 HD13 ILE 1 -0.227 -8.707 1.652 11 HG12 ILE 1 HG11 ILE 1 1.237 -8.126 -0.219 No H/Q in entry = 11 Start of MODEL 7 1 H GLN 2 H GLN 2 2.950 -5.202 -2.349 2 HA GLN 2 HA GLN 2 1.925 -6.767 -4.640 3 HB2 GLN 2 1HB GLN 2 4.102 -4.717 -4.296 4 HB3 GLN 2 2HB GLN 2 3.882 -5.667 -5.775 5 HG2 GLN 2 1HG GLN 2 1.580 -4.860 -6.026 6 HG3 GLN 2 2HG GLN 2 1.696 -3.967 -4.505 7 HE21 GLN 2 HE21 GLN 2 3.329 -4.267 -7.718 8 HE22 GLN 2 HE22 GLN 2 3.692 -2.561 -7.866 No H/Q in entry = 8 Start of MODEL 7 1 H ARG 3 H ARG 3 2.259 -8.847 -3.436 2 HA ARG 3 HA ARG 3 5.059 -9.722 -3.058 3 HB2 ARG 3 1HB ARG 3 2.373 -11.001 -2.503 4 HB3 ARG 3 2HB ARG 3 3.926 -11.831 -2.316 5 HG2 ARG 3 1HG ARG 3 4.659 -10.317 -0.606 6 HG3 ARG 3 2HG ARG 3 3.222 -9.286 -0.815 7 HD2 ARG 3 1HD ARG 3 1.747 -11.091 -0.156 8 HD3 ARG 3 2HD ARG 3 3.087 -12.258 -0.136 9 HE ARG 3 HE ARG 3 3.730 -10.219 1.696 10 HH12 ARG 3 HH11 ARG 3 0.974 -12.954 2.938 11 HH11 ARG 3 HH12 ARG 3 1.297 -12.760 1.238 12 HH21 ARG 3 HH21 ARG 3 3.321 -10.501 3.955 13 HH22 ARG 3 HH22 ARG 3 2.144 -11.679 4.491 No H/Q in entry = 13 Start of MODEL 7 1 H THR 4 H THR 4 5.968 -11.467 -4.107 2 HA THR 4 HA THR 4 4.960 -12.234 -6.760 3 HB THR 4 HB THR 4 7.253 -13.337 -6.845 4 HG1 THR 4 HG1 THR 4 8.680 -12.721 -5.205 5 HG21 THR 4 HG21 THR 4 7.197 -10.356 -6.198 6 HG23 THR 4 HG22 THR 4 6.868 -11.093 -7.783 7 HG22 THR 4 HG23 THR 4 8.481 -11.228 -7.062 No H/Q in entry = 7 Start of MODEL 7 1 HA PRO 5 HA PRO 5 3.777 -16.360 -5.276 2 HB2 PRO 5 1HB PRO 5 4.307 -17.926 -7.471 3 HB3 PRO 5 2HB PRO 5 2.939 -16.787 -7.402 4 HG2 PRO 5 1HG PRO 5 5.647 -16.354 -8.669 5 HG3 PRO 5 2HG PRO 5 4.038 -15.976 -9.349 6 HD2 PRO 5 1HD PRO 5 5.589 -14.083 -8.176 7 HD3 PRO 5 2HD PRO 5 3.815 -14.060 -8.000 No H/Q in entry = 7 Start of MODEL 7 1 H LYS 6 H LYS 6 4.919 -17.675 -3.918 2 HA LYS 6 HA LYS 6 7.820 -17.947 -4.253 3 HB2 LYS 6 1HB LYS 6 6.160 -17.900 -2.002 4 HB3 LYS 6 2HB LYS 6 6.575 -19.608 -2.170 5 HG2 LYS 6 1HG LYS 6 8.252 -18.707 -0.806 6 HG3 LYS 6 2HG LYS 6 9.017 -18.879 -2.394 7 HD2 LYS 6 1HD LYS 6 8.494 -16.415 -2.812 8 HD3 LYS 6 2HD LYS 6 7.867 -16.319 -1.164 9 HE2 LYS 6 1HE LYS 6 10.726 -17.059 -1.951 10 HE3 LYS 6 2HE LYS 6 10.186 -15.477 -1.365 11 HZ1 LYS 6 1HZ LYS 6 9.511 -16.548 0.675 12 HZ3 LYS 6 2HZ LYS 6 11.126 -16.721 0.390 13 HZ2 LYS 6 3HZ LYS 6 10.105 -17.991 0.140 No H/Q in entry = 13 Start of MODEL 7 1 H ILE 7 H ILE 7 8.538 -19.296 -5.695 2 HA ILE 7 HA ILE 7 6.914 -21.322 -6.895 3 HB ILE 7 HB ILE 7 8.914 -21.739 -8.285 4 HG13 ILE 7 HG12 ILE 7 10.708 -21.266 -6.641 5 HG21 ILE 7 HG21 ILE 7 7.217 -20.039 -8.844 6 HG22 ILE 7 HG22 ILE 7 8.137 -18.804 -7.959 7 HG23 ILE 7 HG23 ILE 7 8.805 -19.543 -9.417 8 HD11 ILE 7 HD11 ILE 7 11.239 -21.085 -9.053 9 HD12 ILE 7 HD12 ILE 7 10.965 -19.326 -8.951 10 HD13 ILE 7 HD13 ILE 7 12.250 -20.079 -8.001 11 HG12 ILE 7 HG11 ILE 7 10.265 -19.554 -6.614 No H/Q in entry = 11 Start of MODEL 7 1 H GLN 8 H GLN 8 6.720 -23.413 -6.462 2 HA GLN 8 HA GLN 8 8.812 -24.948 -5.033 3 HB2 GLN 8 1HB GLN 8 5.934 -24.603 -4.106 4 HB3 GLN 8 2HB GLN 8 6.998 -25.888 -3.534 5 HG2 GLN 8 1HG GLN 8 7.415 -22.890 -3.126 6 HG3 GLN 8 2HG GLN 8 6.799 -24.034 -1.939 7 HE21 GLN 8 HE21 GLN 8 8.369 -26.174 -1.884 8 HE22 GLN 8 HE22 GLN 8 10.037 -25.753 -1.573 No H/Q in entry = 8 Start of MODEL 7 1 H VAL 9 H VAL 9 8.949 -25.645 -7.331 2 HA VAL 9 HA VAL 9 6.628 -27.105 -8.411 3 HB VAL 9 HB VAL 9 9.287 -26.501 -9.660 4 HG12 VAL 9 HG11 VAL 9 6.587 -27.244 -10.881 5 HG13 VAL 9 HG12 VAL 9 8.066 -26.865 -11.789 6 HG11 VAL 9 HG13 VAL 9 8.000 -28.311 -10.777 7 HG22 VAL 9 HG21 VAL 9 8.216 -24.363 -9.108 8 HG23 VAL 9 HG22 VAL 9 8.053 -24.663 -10.845 9 HG21 VAL 9 HG23 VAL 9 6.674 -24.930 -9.771 No H/Q in entry = 9 Start of MODEL 7 1 H TYR 10 H TYR 10 6.707 -28.849 -6.944 2 HA TYR 10 HA TYR 10 8.963 -30.772 -7.186 3 HB2 TYR 10 1HB TYR 10 8.228 -31.755 -5.210 4 HB3 TYR 10 2HB TYR 10 8.354 -30.023 -4.999 5 HD1 TYR 10 HD1 TYR 10 6.141 -32.946 -4.978 6 HD2 TYR 10 HD2 TYR 10 6.293 -28.655 -4.627 7 HE1 TYR 10 HE1 TYR 10 3.846 -32.947 -4.059 8 HE2 TYR 10 HE2 TYR 10 3.988 -28.651 -3.712 9 HH TYR 10 HH TYR 10 2.087 -31.666 -3.311 No H/Q in entry = 9 Start of MODEL 7 1 H SER 11 H SER 11 8.590 -33.006 -7.608 2 HA SER 11 HA SER 11 6.096 -33.802 -8.984 3 HB2 SER 11 1HB SER 11 7.422 -35.968 -9.224 4 HB3 SER 11 2HB SER 11 7.910 -34.556 -10.152 5 HG SER 11 HG SER 11 9.688 -35.585 -9.139 No H/Q in entry = 5 Start of MODEL 7 1 H ARG 12 H ARG 12 4.537 -34.966 -7.933 2 HA ARG 12 HA ARG 12 4.735 -35.542 -5.130 3 HB2 ARG 12 1HB ARG 12 2.582 -34.960 -6.081 4 HB3 ARG 12 2HB ARG 12 2.690 -36.277 -7.247 5 HG2 ARG 12 1HG ARG 12 1.111 -36.865 -5.572 6 HG3 ARG 12 2HG ARG 12 2.502 -37.920 -5.333 7 HD2 ARG 12 1HD ARG 12 1.933 -35.360 -3.771 8 HD3 ARG 12 2HD ARG 12 1.492 -36.989 -3.224 9 HE ARG 12 HE ARG 12 4.147 -37.274 -3.694 10 HH12 ARG 12 HH11 ARG 12 3.702 -34.573 -0.696 11 HH11 ARG 12 HH12 ARG 12 2.331 -34.926 -1.720 12 HH21 ARG 12 HH21 ARG 12 5.904 -36.770 -2.366 13 HH22 ARG 12 HH22 ARG 12 5.729 -35.629 -1.052 No H/Q in entry = 13 Start of MODEL 7 1 H HIS 13 H HIS 13 4.503 -37.598 -8.063 2 HA HIS 13 HA HIS 13 5.222 -40.057 -6.667 3 HB2 HIS 13 1HB HIS 13 4.732 -39.254 -9.548 4 HB3 HIS 13 2HB HIS 13 5.232 -40.883 -9.130 5 HD1 HIS 13 HD1 HIS 13 3.356 -42.483 -8.864 6 HD2 HIS 13 HD2 HIS 13 2.189 -38.564 -7.948 7 HE1 HIS 13 HE1 HIS 13 0.884 -42.544 -8.276 No H/Q in entry = 7 Start of MODEL 7 1 HA PRO 14 HA PRO 14 9.625 -39.746 -7.474 2 HB2 PRO 14 1HB PRO 14 10.390 -42.329 -7.928 3 HB3 PRO 14 2HB PRO 14 9.858 -41.743 -6.326 4 HG2 PRO 14 1HG PRO 14 8.181 -43.177 -8.403 5 HG3 PRO 14 2HG PRO 14 8.345 -43.573 -6.667 6 HD2 PRO 14 1HD PRO 14 6.270 -42.099 -7.591 7 HD3 PRO 14 2HD PRO 14 7.037 -41.690 -6.035 No H/Q in entry = 7 Start of MODEL 7 1 H ALA 15 H ALA 15 10.998 -39.487 -9.227 2 HA ALA 15 HA ALA 15 9.724 -39.386 -11.843 3 HB1 ALA 15 1HB ALA 15 11.007 -37.533 -10.985 4 HB2 ALA 15 2HB ALA 15 12.473 -38.533 -10.876 5 HB3 ALA 15 3HB ALA 15 11.758 -38.165 -12.465 No H/Q in entry = 5 Start of MODEL 7 1 H GLU 16 H GLU 16 9.498 -41.803 -11.846 2 HA GLU 16 HA GLU 16 11.868 -43.374 -12.568 3 HB2 GLU 16 1HB GLU 16 8.892 -43.991 -12.465 4 HB3 GLU 16 2HB GLU 16 10.149 -45.170 -12.883 5 HG2 GLU 16 1HG GLU 16 11.201 -44.833 -10.664 6 HG3 GLU 16 2HG GLU 16 9.947 -43.655 -10.238 No H/Q in entry = 6 Start of MODEL 7 1 H ASN 17 H ASN 17 12.356 -44.106 -14.616 2 HA ASN 17 HA ASN 17 11.719 -42.409 -16.797 3 HB2 ASN 17 1HB ASN 17 13.041 -45.152 -16.742 4 HB3 ASN 17 2HB ASN 17 13.048 -44.041 -18.119 5 HD21 ASN 17 HD21 ASN 17 13.991 -41.848 -17.742 6 HD22 ASN 17 HD22 ASN 17 15.360 -41.703 -16.658 No H/Q in entry = 6 Start of MODEL 7 1 H GLY 18 H GLY 18 10.001 -42.402 -18.088 2 HA3 GLY 18 1HA GLY 18 8.177 -43.000 -19.292 3 HA2 GLY 18 2HA GLY 18 8.880 -44.620 -19.405 No H/Q in entry = 3 Start of MODEL 7 1 H LYS 19 H LYS 19 7.457 -42.593 -16.761 2 HA LYS 19 HA LYS 19 5.337 -44.548 -16.257 3 HB2 LYS 19 1HB LYS 19 7.346 -45.517 -15.116 4 HB3 LYS 19 2HB LYS 19 7.559 -43.975 -14.278 5 HG2 LYS 19 1HG LYS 19 6.576 -45.596 -12.794 6 HG3 LYS 19 2HG LYS 19 5.421 -44.292 -13.091 7 HD2 LYS 19 1HD LYS 19 4.176 -45.733 -14.673 8 HD3 LYS 19 2HD LYS 19 5.434 -46.978 -14.556 9 HE2 LYS 19 1HE LYS 19 3.493 -47.588 -13.203 10 HE3 LYS 19 2HE LYS 19 4.902 -47.312 -12.166 11 HZ2 LYS 19 1HZ LYS 19 2.916 -46.301 -11.306 12 HZ1 LYS 19 2HZ LYS 19 2.745 -45.381 -12.664 13 HZ3 LYS 19 3HZ LYS 19 4.038 -45.150 -11.666 No H/Q in entry = 13 Start of MODEL 7 1 H SER 20 H SER 20 3.610 -43.452 -15.625 2 HA SER 20 HA SER 20 3.457 -40.713 -15.789 3 HB2 SER 20 1HB SER 20 1.597 -42.314 -16.116 4 HB3 SER 20 2HB SER 20 1.489 -42.537 -14.357 5 HG SER 20 HG SER 20 1.036 -40.296 -14.207 No H/Q in entry = 5 Start of MODEL 7 1 H ASN 21 H ASN 21 3.098 -38.988 -14.388 2 HA ASN 21 HA ASN 21 3.688 -39.246 -11.523 3 HB2 ASN 21 1HB ASN 21 5.857 -39.391 -12.841 4 HB3 ASN 21 2HB ASN 21 5.524 -37.788 -13.487 5 HD21 ASN 21 HD21 ASN 21 7.584 -39.155 -11.497 6 HD22 ASN 21 HD22 ASN 21 7.680 -37.984 -10.202 No H/Q in entry = 6 Start of MODEL 7 1 H PHE 22 H PHE 22 2.852 -37.504 -10.389 2 HA PHE 22 HA PHE 22 1.431 -35.416 -11.917 3 HB2 PHE 22 1HB PHE 22 1.315 -36.430 -9.091 4 HB3 PHE 22 2HB PHE 22 0.618 -34.878 -9.542 5 HD1 PHE 22 HD1 PHE 22 -1.350 -34.688 -10.889 6 HD2 PHE 22 HD2 PHE 22 0.407 -38.558 -10.176 7 HE1 PHE 22 HE1 PHE 22 -3.376 -35.778 -11.817 8 HE2 PHE 22 HE2 PHE 22 -1.601 -39.642 -11.141 9 HZ PHE 22 HZ PHE 22 -3.507 -38.258 -11.935 No H/Q in entry = 9 Start of MODEL 7 1 H LEU 23 H LEU 23 2.238 -33.422 -12.189 2 HA LEU 23 HA LEU 23 4.605 -32.484 -10.741 3 HB2 LEU 23 1HB LEU 23 4.134 -32.083 -13.223 4 HB3 LEU 23 2HB LEU 23 2.806 -31.036 -12.728 5 HG LEU 23 HG LEU 23 4.416 -29.470 -11.698 6 HD12 LEU 23 HD11 LEU 23 6.877 -29.859 -12.111 7 HD11 LEU 23 HD12 LEU 23 6.502 -31.526 -12.582 8 HD13 LEU 23 HD13 LEU 23 6.199 -30.967 -10.920 9 HD21 LEU 23 HD21 LEU 23 3.876 -29.244 -14.079 10 HD23 LEU 23 HD22 LEU 23 5.239 -30.302 -14.504 11 HD22 LEU 23 HD23 LEU 23 5.532 -28.725 -13.740 No H/Q in entry = 11 Start of MODEL 7 1 H ASN 24 H ASN 24 4.524 -30.333 -9.560 2 HA ASN 24 HA ASN 24 1.834 -29.496 -8.613 3 HB2 ASN 24 1HB ASN 24 4.123 -30.277 -6.763 4 HB3 ASN 24 2HB ASN 24 2.556 -29.625 -6.288 5 HD21 ASN 24 HD21 ASN 24 4.282 -32.422 -7.629 6 HD22 ASN 24 HD22 ASN 24 3.016 -33.599 -7.369 No H/Q in entry = 6 Start of MODEL 7 1 H CYS 25 H CYS 25 2.436 -27.716 -10.095 2 HA CYS 25 HA CYS 25 4.641 -25.972 -9.251 3 HB2 CYS 25 1HB CYS 25 4.054 -26.100 -11.594 4 HB3 CYS 25 2HB CYS 25 2.446 -25.448 -11.273 No H/Q in entry = 4 Start of MODEL 7 1 H TYR 26 H TYR 26 4.117 -25.813 -7.063 2 HA TYR 26 HA TYR 26 1.543 -24.782 -6.205 3 HB2 TYR 26 1HB TYR 26 2.655 -26.642 -5.101 4 HB3 TYR 26 2HB TYR 26 4.042 -25.645 -4.722 5 HD1 TYR 26 HD1 TYR 26 3.978 -24.031 -2.862 6 HD2 TYR 26 HD2 TYR 26 0.527 -26.398 -3.895 7 HE1 TYR 26 HE1 TYR 26 2.994 -23.554 -0.653 8 HE2 TYR 26 HE2 TYR 26 -0.442 -25.957 -1.667 9 HH TYR 26 HH TYR 26 1.195 -23.865 0.751 No H/Q in entry = 9 Start of MODEL 7 1 H VAL 27 H VAL 27 1.352 -22.655 -6.793 2 HA VAL 27 HA VAL 27 3.486 -20.709 -6.175 3 HB VAL 27 HB VAL 27 1.931 -19.143 -7.340 4 HG13 VAL 27 HG11 VAL 27 2.591 -19.980 -9.578 5 HG11 VAL 27 HG12 VAL 27 3.914 -20.134 -8.411 6 HG12 VAL 27 HG13 VAL 27 2.971 -21.565 -8.874 7 HG23 VAL 27 HG21 VAL 27 0.546 -21.634 -8.414 8 HG21 VAL 27 HG22 VAL 27 -0.190 -20.609 -7.173 9 HG22 VAL 27 HG23 VAL 27 0.185 -19.931 -8.742 No H/Q in entry = 9 Start of MODEL 7 1 H SER 28 H SER 28 3.506 -20.070 -4.076 2 HA SER 28 HA SER 28 0.943 -19.577 -2.672 3 HB2 SER 28 1HB SER 28 2.352 -19.718 -0.665 4 HB3 SER 28 2HB SER 28 2.329 -21.174 -1.676 5 HG SER 28 HG SER 28 4.434 -20.671 -1.045 No H/Q in entry = 5 Start of MODEL 7 1 H GLY 29 H GLY 29 0.212 -17.568 -2.447 2 HA3 GLY 29 1HA GLY 29 0.141 -15.544 -1.451 3 HA2 GLY 29 2HA GLY 29 1.815 -15.764 -0.957 No H/Q in entry = 3 Start of MODEL 7 1 H PHE 30 H PHE 30 0.243 -15.370 -4.170 2 HA PHE 30 HA PHE 30 2.110 -13.173 -4.838 3 HB2 PHE 30 1HB PHE 30 1.416 -13.635 -7.130 4 HB3 PHE 30 2HB PHE 30 2.222 -14.919 -6.259 5 HD1 PHE 30 HD1 PHE 30 1.083 -17.024 -5.644 6 HD2 PHE 30 HD2 PHE 30 -0.889 -13.936 -7.917 7 HE1 PHE 30 HE1 PHE 30 -0.880 -18.505 -5.985 8 HE2 PHE 30 HE2 PHE 30 -2.888 -15.396 -8.145 9 HZ PHE 30 HZ PHE 30 -2.941 -17.583 -7.009 No H/Q in entry = 9 Start of MODEL 7 1 H HIS 31 H HIS 31 1.259 -11.261 -4.182 2 HA HIS 31 HA HIS 31 -1.636 -10.726 -4.489 3 HB2 HIS 31 1HB HIS 31 0.442 -9.463 -2.741 4 HB3 HIS 31 2HB HIS 31 -1.208 -8.859 -2.971 5 HD1 HIS 31 HD1 HIS 31 -2.992 -9.772 -1.551 6 HD2 HIS 31 HD2 HIS 31 0.313 -12.331 -1.773 7 HE1 HIS 31 HE1 HIS 31 -3.494 -11.772 -0.084 No H/Q in entry = 7 Start of MODEL 7 1 HA PRO 32 HA PRO 32 -3.227 -9.469 -5.213 2 HB2 PRO 32 1HB PRO 32 -4.542 -8.625 -7.399 3 HB3 PRO 32 2HB PRO 32 -3.993 -7.489 -6.133 4 HG2 PRO 32 1HG PRO 32 -2.563 -8.181 -8.718 5 HG3 PRO 32 2HG PRO 32 -2.991 -6.548 -8.124 6 HD2 PRO 32 1HD PRO 32 -0.523 -7.648 -7.705 7 HD3 PRO 32 2HD PRO 32 -1.299 -6.650 -6.443 No H/Q in entry = 7 Start of MODEL 7 1 H SER 33 H SER 33 -4.764 -10.907 -6.758 2 HA SER 33 HA SER 33 -3.081 -13.151 -7.443 3 HB2 SER 33 1HB SER 33 -5.227 -14.371 -7.570 4 HB3 SER 33 2HB SER 33 -5.048 -13.446 -6.073 5 HG SER 33 HG SER 33 -6.462 -12.583 -8.373 No H/Q in entry = 5 Start of MODEL 7 1 H ASP 34 H ASP 34 -2.402 -11.345 -9.333 2 HA ASP 34 HA ASP 34 -4.000 -11.763 -11.791 3 HB2 ASP 34 1HB ASP 34 -1.737 -9.903 -11.039 4 HB3 ASP 34 2HB ASP 34 -2.543 -9.922 -12.618 No H/Q in entry = 4 Start of MODEL 7 1 H ILE 35 H ILE 35 -2.836 -14.139 -11.219 2 HA ILE 35 HA ILE 35 -0.118 -14.220 -12.346 3 HB ILE 35 HB ILE 35 -0.694 -15.136 -10.109 4 HG13 ILE 35 HG12 ILE 35 1.330 -15.700 -11.503 5 HG23 ILE 35 HG21 ILE 35 -1.764 -17.356 -9.951 6 HG21 ILE 35 HG22 ILE 35 -2.870 -16.197 -10.687 7 HG22 ILE 35 HG23 ILE 35 -2.030 -17.384 -11.694 8 HD12 ILE 35 HD11 ILE 35 2.035 -17.519 -10.028 9 HD13 ILE 35 HD12 ILE 35 1.250 -16.195 -9.155 10 HD11 ILE 35 HD13 ILE 35 0.371 -17.712 -9.452 11 HG12 ILE 35 HG11 ILE 35 0.520 -17.209 -11.939 No H/Q in entry = 11 Start of MODEL 7 1 H GLU 36 H GLU 36 0.560 -15.789 -13.887 2 HA GLU 36 HA GLU 36 -1.544 -17.273 -15.393 3 HB2 GLU 36 1HB GLU 36 0.854 -15.886 -16.588 4 HB3 GLU 36 2HB GLU 36 -0.349 -16.845 -17.451 5 HG2 GLU 36 1HG GLU 36 -2.092 -15.166 -16.873 6 HG3 GLU 36 2HG GLU 36 -0.870 -14.180 -16.047 No H/Q in entry = 6 Start of MODEL 7 1 H VAL 37 H VAL 37 -1.043 -19.085 -14.184 2 HA VAL 37 HA VAL 37 1.710 -20.145 -14.086 3 HB VAL 37 HB VAL 37 -0.824 -21.399 -13.038 4 HG12 VAL 37 HG11 VAL 37 0.797 -22.503 -11.457 5 HG13 VAL 37 HG12 VAL 37 1.158 -22.920 -13.137 6 HG11 VAL 37 HG13 VAL 37 2.124 -21.690 -12.293 7 HG21 VAL 37 HG21 VAL 37 1.052 -19.464 -11.639 8 HG22 VAL 37 HG22 VAL 37 -0.683 -19.220 -11.986 9 HG23 VAL 37 HG23 VAL 37 -0.184 -20.456 -10.838 No H/Q in entry = 9 Start of MODEL 7 1 H ASP 38 H ASP 38 1.513 -20.083 -16.552 2 HA ASP 38 HA ASP 38 -0.225 -22.130 -17.787 3 HB2 ASP 38 1HB ASP 38 -0.196 -19.885 -18.716 4 HB3 ASP 38 2HB ASP 38 1.553 -19.953 -18.932 No H/Q in entry = 4 Start of MODEL 7 1 H LEU 39 H LEU 39 1.151 -23.725 -16.484 2 HA LEU 39 HA LEU 39 3.858 -24.102 -16.971 3 HB2 LEU 39 1HB LEU 39 3.610 -26.266 -15.918 4 HB3 LEU 39 2HB LEU 39 2.654 -25.047 -15.091 5 HG LEU 39 HG LEU 39 0.930 -26.139 -17.106 6 HD12 LEU 39 HD11 LEU 39 2.318 -28.338 -15.533 7 HD11 LEU 39 HD12 LEU 39 2.605 -28.011 -17.251 8 HD13 LEU 39 HD13 LEU 39 0.994 -28.525 -16.705 9 HD22 LEU 39 HD21 LEU 39 0.204 -25.349 -14.888 10 HD21 LEU 39 HD22 LEU 39 1.053 -26.706 -14.108 11 HD23 LEU 39 HD23 LEU 39 -0.339 -27.015 -15.168 No H/Q in entry = 11 Start of MODEL 7 1 H LEU 40 H LEU 40 5.034 -25.733 -17.996 2 HA LEU 40 HA LEU 40 3.956 -26.346 -20.709 3 HB2 LEU 40 1HB LEU 40 6.739 -25.348 -20.036 4 HB3 LEU 40 2HB LEU 40 6.057 -25.603 -21.646 5 HG LEU 40 HG LEU 40 5.139 -23.498 -19.630 6 HD13 LEU 40 HD11 LEU 40 6.158 -21.909 -21.219 7 HD12 LEU 40 HD12 LEU 40 6.729 -23.262 -22.216 8 HD11 LEU 40 HD13 LEU 40 7.359 -23.038 -20.570 9 HD22 LEU 40 HD21 LEU 40 3.250 -24.188 -21.079 10 HD21 LEU 40 HD22 LEU 40 4.270 -24.015 -22.510 11 HD23 LEU 40 HD23 LEU 40 3.824 -22.591 -21.542 No H/Q in entry = 11 Start of MODEL 7 1 H LYS 41 H LYS 41 5.010 -27.933 -21.917 2 HA LYS 41 HA LYS 41 6.914 -29.749 -20.576 3 HB2 LYS 41 1HB LYS 41 5.778 -31.710 -21.454 4 HB3 LYS 41 2HB LYS 41 4.824 -30.833 -20.236 5 HG2 LYS 41 1HG LYS 41 3.490 -29.815 -22.115 6 HG3 LYS 41 2HG LYS 41 4.287 -30.928 -23.228 7 HD2 LYS 41 1HD LYS 41 2.809 -31.867 -20.748 8 HD3 LYS 41 2HD LYS 41 2.010 -31.633 -22.308 9 HE2 LYS 41 1HE LYS 41 4.385 -33.503 -21.883 10 HE3 LYS 41 2HE LYS 41 2.686 -33.993 -21.854 11 HZ1 LYS 41 1HZ LYS 41 2.464 -33.220 -24.091 12 HZ3 LYS 41 2HZ LYS 41 3.649 -34.360 -23.981 13 HZ2 LYS 41 3HZ LYS 41 4.047 -32.771 -24.152 No H/Q in entry = 13 Start of MODEL 7 1 H ASN 42 H ASN 42 8.640 -29.154 -21.749 2 HA ASN 42 HA ASN 42 9.946 -28.553 -23.486 3 HB2 ASN 42 1HB ASN 42 8.338 -30.617 -25.040 4 HB3 ASN 42 2HB ASN 42 9.995 -30.092 -25.363 5 HD21 ASN 42 HD21 ASN 42 11.483 -30.300 -23.248 6 HD22 ASN 42 HD22 ASN 42 11.370 -31.864 -22.473 No H/Q in entry = 6 Start of MODEL 7 1 H GLY 43 H GLY 43 7.897 -26.739 -23.118 2 HA3 GLY 43 1HA GLY 43 7.438 -24.779 -24.256 3 HA2 GLY 43 2HA GLY 43 7.682 -25.557 -25.817 No H/Q in entry = 3 Start of MODEL 7 1 H GLU 44 H GLU 44 5.764 -27.862 -24.939 2 HA GLU 44 HA GLU 44 3.407 -26.658 -26.095 3 HB2 GLU 44 1HB GLU 44 3.696 -29.361 -24.754 4 HB3 GLU 44 2HB GLU 44 2.443 -28.868 -25.892 5 HG2 GLU 44 1HG GLU 44 4.132 -28.681 -27.685 6 HG3 GLU 44 2HG GLU 44 5.409 -29.178 -26.561 No H/Q in entry = 6 Start of MODEL 7 1 H ARG 45 H ARG 45 1.406 -26.223 -25.081 2 HA ARG 45 HA ARG 45 1.415 -25.924 -22.135 3 HB2 ARG 45 1HB ARG 45 -0.584 -25.113 -24.284 4 HB3 ARG 45 2HB ARG 45 -0.834 -24.925 -22.552 5 HG2 ARG 45 1HG ARG 45 -0.122 -22.823 -23.407 6 HG3 ARG 45 2HG ARG 45 1.129 -23.469 -22.344 7 HD2 ARG 45 1HD ARG 45 2.002 -22.341 -24.389 8 HD3 ARG 45 2HD ARG 45 2.545 -24.009 -24.240 9 HE ARG 45 HE ARG 45 0.104 -23.750 -25.793 10 HH12 ARG 45 HH11 ARG 45 3.643 -23.768 -27.780 11 HH11 ARG 45 HH12 ARG 45 3.655 -23.534 -26.049 12 HH21 ARG 45 HH21 ARG 45 0.144 -24.136 -28.026 13 HH22 ARG 45 HH22 ARG 45 1.660 -24.146 -28.896 No H/Q in entry = 13 Start of MODEL 7 1 H ILE 46 H ILE 46 -0.026 -27.023 -20.790 2 HA ILE 46 HA ILE 46 -0.890 -29.676 -21.741 3 HB ILE 46 HB ILE 46 -0.731 -28.362 -18.999 4 HG13 ILE 46 HG12 ILE 46 0.750 -30.735 -20.238 5 HG23 ILE 46 HG21 ILE 46 -2.684 -29.834 -18.999 6 HG21 ILE 46 HG22 ILE 46 -1.730 -31.152 -19.712 7 HG22 ILE 46 HG23 ILE 46 -1.398 -30.553 -18.075 8 HD11 ILE 46 HD11 ILE 46 1.662 -27.969 -19.356 9 HD12 ILE 46 HD12 ILE 46 2.778 -29.338 -19.533 10 HD13 ILE 46 HD13 ILE 46 1.905 -28.723 -20.944 11 HG12 ILE 46 HG11 ILE 46 0.855 -30.233 -18.550 No H/Q in entry = 11 Start of MODEL 7 1 H GLU 47 H GLU 47 -2.944 -29.985 -22.464 2 HA GLU 47 HA GLU 47 -5.033 -27.985 -21.912 3 HB2 GLU 47 1HB GLU 47 -4.538 -28.957 -24.197 4 HB3 GLU 47 2HB GLU 47 -5.183 -30.494 -23.619 5 HG2 GLU 47 1HG GLU 47 -6.892 -29.289 -24.849 6 HG3 GLU 47 2HG GLU 47 -7.382 -29.332 -23.158 No H/Q in entry = 6 Start of MODEL 7 1 H LYS 48 H LYS 48 -4.434 -28.912 -19.578 2 HA LYS 48 HA LYS 48 -6.726 -30.050 -18.442 3 HB2 LYS 48 1HB LYS 48 -5.769 -32.211 -19.474 4 HB3 LYS 48 2HB LYS 48 -4.385 -32.012 -18.400 5 HG2 LYS 48 1HG LYS 48 -6.174 -31.921 -16.484 6 HG3 LYS 48 2HG LYS 48 -7.322 -32.467 -17.702 7 HD2 LYS 48 1HD LYS 48 -4.752 -33.909 -16.886 8 HD3 LYS 48 2HD LYS 48 -6.375 -34.280 -16.284 9 HE2 LYS 48 1HE LYS 48 -7.113 -34.802 -18.610 10 HE3 LYS 48 2HE LYS 48 -5.456 -34.519 -19.185 11 HZ2 LYS 48 1HZ LYS 48 -5.876 -36.819 -18.806 12 HZ1 LYS 48 2HZ LYS 48 -6.262 -36.543 -17.227 13 HZ3 LYS 48 3HZ LYS 48 -4.725 -36.277 -17.757 No H/Q in entry = 13 Start of MODEL 7 1 H VAL 49 H VAL 49 -5.684 -27.783 -17.818 2 HA VAL 49 HA VAL 49 -3.578 -27.970 -15.775 3 HB VAL 49 HB VAL 49 -5.311 -25.624 -16.586 4 HG13 VAL 49 HG11 VAL 49 -4.253 -25.342 -14.384 5 HG11 VAL 49 HG12 VAL 49 -2.676 -25.784 -15.077 6 HG12 VAL 49 HG13 VAL 49 -3.486 -24.282 -15.574 7 HG23 VAL 49 HG21 VAL 49 -3.271 -24.892 -17.883 8 HG21 VAL 49 HG22 VAL 49 -2.563 -26.496 -17.590 9 HG22 VAL 49 HG23 VAL 49 -4.057 -26.327 -18.545 No H/Q in entry = 9 Start of MODEL 7 1 H GLU 50 H GLU 50 -4.236 -28.854 -13.893 2 HA GLU 50 HA GLU 50 -7.020 -28.450 -12.880 3 HB2 GLU 50 1HB GLU 50 -4.933 -30.477 -12.050 4 HB3 GLU 50 2HB GLU 50 -6.605 -30.346 -11.465 5 HG2 GLU 50 1HG GLU 50 -7.447 -30.857 -13.731 6 HG3 GLU 50 2HG GLU 50 -5.787 -30.925 -14.349 No H/Q in entry = 6 Start of MODEL 7 1 H HIS 51 H HIS 51 -7.316 -27.161 -11.164 2 HA HIS 51 HA HIS 51 -5.103 -26.356 -9.387 3 HB2 HIS 51 1HB HIS 51 -5.433 -23.966 -10.000 4 HB3 HIS 51 2HB HIS 51 -4.739 -24.953 -11.290 5 HD1 HIS 51 HD1 HIS 51 -6.122 -25.333 -13.448 6 HD2 HIS 51 HD2 HIS 51 -8.138 -23.103 -10.531 7 HE1 HIS 51 HE1 HIS 51 -8.186 -24.348 -14.545 No H/Q in entry = 7 Start of MODEL 7 1 H SER 52 H SER 52 -5.828 -25.136 -7.559 2 HA SER 52 HA SER 52 -8.411 -26.009 -6.614 3 HB2 SER 52 1HB SER 52 -7.705 -25.081 -4.494 4 HB3 SER 52 2HB SER 52 -6.345 -25.950 -5.221 5 HG SER 52 HG SER 52 -5.586 -23.911 -5.970 No H/Q in entry = 5 Start of MODEL 7 1 H ASP 53 H ASP 53 -9.672 -24.360 -5.206 2 HA ASP 53 HA ASP 53 -10.727 -22.316 -7.026 3 HB2 ASP 53 1HB ASP 53 -12.650 -22.366 -5.538 4 HB3 ASP 53 2HB ASP 53 -12.204 -23.995 -6.043 No H/Q in entry = 4 Start of MODEL 7 1 H LEU 54 H LEU 54 -8.240 -21.509 -6.098 2 HA LEU 54 HA LEU 54 -7.113 -19.850 -5.112 3 HB2 LEU 54 1HB LEU 54 -8.823 -18.534 -6.404 4 HB3 LEU 54 2HB LEU 54 -9.807 -18.441 -4.945 5 HG LEU 54 HG LEU 54 -7.705 -17.396 -3.818 6 HD13 LEU 54 HD11 LEU 54 -6.046 -17.899 -5.534 7 HD12 LEU 54 HD12 LEU 54 -6.244 -16.145 -5.437 8 HD11 LEU 54 HD13 LEU 54 -6.991 -17.042 -6.769 9 HD21 LEU 54 HD21 LEU 54 -9.765 -16.130 -4.372 10 HD23 LEU 54 HD22 LEU 54 -9.174 -15.887 -6.030 11 HD22 LEU 54 HD23 LEU 54 -8.318 -15.148 -4.659 No H/Q in entry = 11 Start of MODEL 7 1 H SER 55 H SER 55 -6.586 -21.161 -3.314 2 HA SER 55 HA SER 55 -8.325 -21.142 -0.943 3 HB2 SER 55 1HB SER 55 -5.699 -22.578 -1.452 4 HB3 SER 55 2HB SER 55 -6.807 -22.836 -0.092 5 HG SER 55 HG SER 55 -7.421 -23.221 -2.836 No H/Q in entry = 5 Start of MODEL 7 1 H PHE 56 H PHE 56 -7.951 -20.040 0.887 2 HA PHE 56 HA PHE 56 -5.828 -17.991 0.881 3 HB2 PHE 56 1HB PHE 56 -8.250 -18.192 2.672 4 HB3 PHE 56 2HB PHE 56 -7.256 -16.785 2.322 5 HD1 PHE 56 HD1 PHE 56 -7.392 -15.718 0.005 6 HD2 PHE 56 HD2 PHE 56 -10.051 -18.881 1.248 7 HE1 PHE 56 HE1 PHE 56 -8.959 -15.148 -1.841 8 HE2 PHE 56 HE2 PHE 56 -11.600 -18.303 -0.594 9 HZ PHE 56 HZ PHE 56 -11.060 -16.431 -2.135 No H/Q in entry = 9 Start of MODEL 7 1 H SER 57 H SER 57 -4.028 -18.325 2.191 2 HA SER 57 HA SER 57 -3.851 -20.500 4.029 3 HB2 SER 57 1HB SER 57 -2.080 -18.039 3.905 4 HB3 SER 57 2HB SER 57 -1.677 -19.610 4.607 5 HG SER 57 HG SER 57 -1.907 -20.507 2.511 No H/Q in entry = 5 Start of MODEL 7 1 H LYS 58 H LYS 58 -4.002 -16.957 4.583 2 HA LYS 58 HA LYS 58 -5.442 -17.294 7.122 3 HB2 LYS 58 1HB LYS 58 -3.762 -15.913 8.351 4 HB3 LYS 58 2HB LYS 58 -3.175 -17.515 7.902 5 HG2 LYS 58 1HG LYS 58 -1.893 -16.588 6.025 6 HG3 LYS 58 2HG LYS 58 -2.525 -14.964 6.352 7 HD2 LYS 58 1HD LYS 58 -1.458 -15.012 8.593 8 HD3 LYS 58 2HD LYS 58 -0.825 -16.637 8.251 9 HE2 LYS 58 1HE LYS 58 0.432 -15.725 6.302 10 HE3 LYS 58 2HE LYS 58 -0.186 -14.102 6.672 11 HZ2 LYS 58 1HZ LYS 58 2.004 -14.468 7.540 12 HZ1 LYS 58 2HZ LYS 58 1.477 -15.735 8.454 13 HZ3 LYS 58 3HZ LYS 58 0.930 -14.211 8.765 No H/Q in entry = 13 Start of MODEL 7 1 H ASP 59 H ASP 59 -6.365 -16.399 4.706 2 HA ASP 59 HA ASP 59 -7.191 -14.725 3.486 3 HB2 ASP 59 1HB ASP 59 -8.550 -14.503 5.565 4 HB3 ASP 59 2HB ASP 59 -7.439 -13.253 6.143 No H/Q in entry = 4 Start of MODEL 7 1 H GLY 60 H GLY 60 -4.557 -14.856 3.167 2 HA3 GLY 60 1HA GLY 60 -3.831 -12.289 2.235 3 HA2 GLY 60 2HA GLY 60 -3.062 -12.527 3.812 No H/Q in entry = 3 Start of MODEL 7 1 H SER 61 H SER 61 -3.589 -15.315 1.699 2 HA SER 61 HA SER 61 -1.278 -14.978 0.100 3 HB2 SER 61 1HB SER 61 -0.990 -16.884 2.433 4 HB3 SER 61 2HB SER 61 -0.153 -17.171 0.900 5 HG SER 61 HG SER 61 0.775 -15.097 1.117 No H/Q in entry = 5 Start of MODEL 7 1 H PHE 62 H PHE 62 -1.988 -15.770 -1.756 2 HA PHE 62 HA PHE 62 -4.202 -17.669 -1.865 3 HB2 PHE 62 1HB PHE 62 -2.667 -16.354 -4.123 4 HB3 PHE 62 2HB PHE 62 -4.253 -17.106 -4.190 5 HD1 PHE 62 HD1 PHE 62 -2.402 -14.073 -3.700 6 HD2 PHE 62 HD2 PHE 62 -6.134 -15.971 -2.701 7 HE1 PHE 62 HE1 PHE 62 -3.497 -11.849 -3.565 8 HE2 PHE 62 HE2 PHE 62 -7.197 -13.735 -2.461 9 HZ PHE 62 HZ PHE 62 -5.891 -11.680 -2.928 No H/Q in entry = 9 Start of MODEL 7 1 H TYR 63 H TYR 63 -3.353 -19.744 -1.309 2 HA TYR 63 HA TYR 63 -0.964 -20.684 -2.771 3 HB2 TYR 63 1HB TYR 63 -0.620 -22.234 -1.170 4 HB3 TYR 63 2HB TYR 63 -0.987 -20.718 -0.373 5 HD1 TYR 63 HD1 TYR 63 -1.834 -24.227 -0.722 6 HD2 TYR 63 HD2 TYR 63 -3.363 -20.451 0.676 7 HE1 TYR 63 HE1 TYR 63 -3.519 -25.420 0.630 8 HE2 TYR 63 HE2 TYR 63 -5.083 -21.658 2.001 9 HH TYR 63 HH TYR 63 -5.970 -23.676 2.585 No H/Q in entry = 9 Start of MODEL 7 1 H LEU 64 H LEU 64 -1.592 -21.356 -4.780 2 HA LEU 64 HA LEU 64 -3.709 -23.437 -4.998 3 HB2 LEU 64 1HB LEU 64 -2.228 -21.901 -7.107 4 HB3 LEU 64 2HB LEU 64 -3.441 -23.148 -7.402 5 HG LEU 64 HG LEU 64 -4.812 -21.554 -5.611 6 HD12 LEU 64 HD11 LEU 64 -4.513 -19.240 -6.433 7 HD11 LEU 64 HD12 LEU 64 -3.127 -19.774 -7.407 8 HD13 LEU 64 HD13 LEU 64 -3.048 -19.828 -5.630 9 HD23 LEU 64 HD21 LEU 64 -4.780 -21.259 -8.640 10 HD22 LEU 64 HD22 LEU 64 -6.087 -20.779 -7.540 11 HD21 LEU 64 HD23 LEU 64 -5.676 -22.492 -7.730 No H/Q in entry = 11 Start of MODEL 7 1 H LEU 65 H LEU 65 -3.253 -25.150 -6.621 2 HA LEU 65 HA LEU 65 -0.520 -26.320 -6.542 3 HB2 LEU 65 1HB LEU 65 -1.990 -27.233 -4.697 4 HB3 LEU 65 2HB LEU 65 -3.176 -27.684 -5.916 5 HG LEU 65 HG LEU 65 -1.218 -29.092 -6.975 6 HD11 LEU 65 HD11 LEU 65 -0.196 -28.708 -4.124 7 HD13 LEU 65 HD12 LEU 65 0.618 -28.170 -5.615 8 HD12 LEU 65 HD13 LEU 65 0.405 -29.897 -5.285 9 HD22 LEU 65 HD21 LEU 65 -1.794 -30.986 -5.507 10 HD21 LEU 65 HD22 LEU 65 -3.239 -30.035 -5.885 11 HD23 LEU 65 HD23 LEU 65 -2.461 -29.865 -4.298 No H/Q in entry = 11 Start of MODEL 7 1 H TYR 66 H TYR 66 -0.160 -25.924 -8.760 2 HA TYR 66 HA TYR 66 -2.318 -26.518 -10.708 3 HB2 TYR 66 1HB TYR 66 0.271 -24.990 -10.805 4 HB3 TYR 66 2HB TYR 66 -0.518 -25.544 -12.275 5 HD1 TYR 66 HD1 TYR 66 -2.307 -24.386 -13.230 6 HD2 TYR 66 HD2 TYR 66 -1.055 -23.421 -9.231 7 HE1 TYR 66 HE1 TYR 66 -3.805 -22.412 -13.251 8 HE2 TYR 66 HE2 TYR 66 -2.402 -21.336 -9.327 9 HH TYR 66 HH TYR 66 -3.907 -20.081 -10.530 No H/Q in entry = 9 Start of MODEL 7 1 H TYR 67 H TYR 67 -2.325 -28.783 -10.655 2 HA TYR 67 HA TYR 67 0.189 -30.219 -11.229 3 HB2 TYR 67 1HB TYR 67 -0.894 -32.155 -10.333 4 HB3 TYR 67 2HB TYR 67 -0.810 -30.801 -9.217 5 HD1 TYR 67 HD1 TYR 67 -3.041 -33.119 -11.004 6 HD2 TYR 67 HD2 TYR 67 -2.837 -29.636 -8.497 7 HE1 TYR 67 HE1 TYR 67 -5.410 -33.430 -10.377 8 HE2 TYR 67 HE2 TYR 67 -5.252 -29.852 -7.981 9 HH TYR 67 HH TYR 67 -7.147 -31.130 -8.243 No H/Q in entry = 9 Start of MODEL 7 1 H THR 68 H THR 68 0.553 -30.761 -13.326 2 HA THR 68 HA THR 68 -1.604 -31.953 -14.974 3 HB THR 68 HB THR 68 -0.179 -30.462 -16.089 4 HG1 THR 68 HG1 THR 68 0.479 -33.134 -16.788 5 HG22 THR 68 HG21 THR 68 2.226 -30.970 -16.511 6 HG21 THR 68 HG22 THR 68 2.168 -32.258 -15.298 7 HG23 THR 68 HG23 THR 68 1.919 -30.568 -14.818 No H/Q in entry = 7 Start of MODEL 7 1 H GLU 69 H GLU 69 -1.508 -34.165 -15.617 2 HA GLU 69 HA GLU 69 0.192 -36.021 -14.035 3 HB2 GLU 69 1HB GLU 69 -2.234 -36.450 -14.208 4 HB3 GLU 69 2HB GLU 69 -2.092 -36.576 -15.967 5 HG2 GLU 69 1HG GLU 69 -0.562 -38.503 -15.720 6 HG3 GLU 69 2HG GLU 69 -0.561 -38.301 -13.960 No H/Q in entry = 6 Start of MODEL 7 1 H PHE 70 H PHE 70 2.190 -35.459 -15.012 2 HA PHE 70 HA PHE 70 2.490 -35.726 -17.931 3 HB2 PHE 70 1HB PHE 70 4.504 -34.670 -17.708 4 HB3 PHE 70 2HB PHE 70 3.389 -33.776 -16.691 5 HD1 PHE 70 HD1 PHE 70 3.542 -34.141 -14.129 6 HD2 PHE 70 HD2 PHE 70 6.501 -35.665 -16.856 7 HE1 PHE 70 HE1 PHE 70 5.171 -34.401 -12.254 8 HE2 PHE 70 HE2 PHE 70 8.135 -35.804 -15.000 9 HZ PHE 70 HZ PHE 70 7.424 -35.272 -12.683 No H/Q in entry = 9 Start of MODEL 7 1 H THR 71 H THR 71 3.686 -37.328 -18.927 2 HA THR 71 HA THR 71 4.792 -39.534 -17.295 3 HB THR 71 HB THR 71 4.175 -39.389 -20.233 4 HG1 THR 71 HG1 THR 71 2.798 -40.452 -17.996 5 HG23 THR 71 HG21 THR 71 5.889 -41.109 -19.703 6 HG22 THR 71 HG22 THR 71 4.324 -41.867 -20.038 7 HG21 THR 71 HG23 THR 71 4.887 -41.707 -18.363 No H/Q in entry = 7 Start of MODEL 7 1 HA PRO 72 HA PRO 72 8.745 -37.411 -18.607 2 HB2 PRO 72 1HB PRO 72 10.383 -38.440 -16.661 3 HB3 PRO 72 2HB PRO 72 9.331 -37.028 -16.405 4 HG2 PRO 72 1HG PRO 72 8.816 -39.913 -15.646 5 HG3 PRO 72 2HG PRO 72 8.541 -38.460 -14.650 6 HD2 PRO 72 1HD PRO 72 6.569 -39.735 -16.074 7 HD3 PRO 72 2HD PRO 72 6.528 -37.985 -15.786 No H/Q in entry = 7 Start of MODEL 7 1 H THR 73 H THR 73 9.826 -38.354 -20.267 2 HA THR 73 HA THR 73 9.752 -41.228 -20.686 3 HB THR 73 HB THR 73 11.063 -40.678 -22.718 4 HG1 THR 73 HG1 THR 73 11.325 -38.437 -23.187 5 HG22 THR 73 HG21 THR 73 8.631 -38.879 -22.290 6 HG21 THR 73 HG22 THR 73 8.579 -40.598 -22.738 7 HG23 THR 73 HG23 THR 73 9.289 -39.409 -23.848 No H/Q in entry = 7 Start of MODEL 7 1 H GLU 74 H GLU 74 12.488 -38.946 -20.584 2 HA GLU 74 HA GLU 74 14.057 -40.097 -18.576 3 HB2 GLU 74 1HB GLU 74 14.261 -42.115 -19.939 4 HB3 GLU 74 2HB GLU 74 14.582 -41.167 -21.391 5 HG2 GLU 74 1HG GLU 74 16.777 -40.495 -20.456 6 HG3 GLU 74 2HG GLU 74 16.397 -41.333 -18.944 No H/Q in entry = 6 Start of MODEL 7 1 H LYS 75 H LYS 75 14.431 -38.933 -21.928 2 HA LYS 75 HA LYS 75 16.192 -36.702 -21.036 3 HB2 LYS 75 1HB LYS 75 16.610 -36.489 -23.523 4 HB3 LYS 75 2HB LYS 75 17.264 -37.906 -22.723 5 HG2 LYS 75 1HG LYS 75 14.538 -38.251 -23.931 6 HG3 LYS 75 2HG LYS 75 15.880 -38.016 -25.056 7 HD2 LYS 75 1HD LYS 75 17.112 -39.875 -24.217 8 HD3 LYS 75 2HD LYS 75 16.046 -40.075 -22.826 9 HE2 LYS 75 1HE LYS 75 14.172 -40.687 -24.320 10 HE3 LYS 75 2HE LYS 75 15.235 -40.490 -25.730 11 HZ1 LYS 75 1HZ LYS 75 15.648 -42.397 -23.531 12 HZ3 LYS 75 2HZ LYS 75 16.611 -42.226 -24.854 13 HZ2 LYS 75 3HZ LYS 75 15.064 -42.768 -25.031 No H/Q in entry = 13 Start of MODEL 7 1 H ASP 76 H ASP 76 13.515 -36.568 -20.286 2 HA ASP 76 HA ASP 76 12.199 -34.586 -22.034 3 HB2 ASP 76 1HB ASP 76 10.395 -34.791 -20.383 4 HB3 ASP 76 2HB ASP 76 10.859 -36.349 -21.059 No H/Q in entry = 4 Start of MODEL 7 1 H GLU 77 H GLU 77 11.304 -32.603 -20.827 2 HA GLU 77 HA GLU 77 12.357 -31.984 -18.271 3 HB2 GLU 77 1HB GLU 77 13.487 -29.867 -18.720 4 HB3 GLU 77 2HB GLU 77 14.335 -31.269 -19.331 5 HG2 GLU 77 1HG GLU 77 14.655 -29.698 -20.984 6 HG3 GLU 77 2HG GLU 77 13.409 -30.747 -21.650 No H/Q in entry = 6 Start of MODEL 7 1 H TYR 78 H TYR 78 10.628 -31.346 -17.278 2 HA TYR 78 HA TYR 78 8.513 -29.769 -18.607 3 HB2 TYR 78 1HB TYR 78 8.685 -31.117 -15.896 4 HB3 TYR 78 2HB TYR 78 7.293 -30.233 -16.510 5 HD1 TYR 78 HD1 TYR 78 5.779 -31.211 -18.100 6 HD2 TYR 78 HD2 TYR 78 9.436 -33.250 -17.082 7 HE1 TYR 78 HE1 TYR 78 5.136 -33.112 -19.560 8 HE2 TYR 78 HE2 TYR 78 8.799 -35.122 -18.568 9 HH TYR 78 HH TYR 78 5.768 -35.132 -20.465 No H/Q in entry = 9 Start of MODEL 7 1 H ALA 79 H ALA 79 7.835 -27.706 -17.708 2 HA ALA 79 HA ALA 79 9.306 -26.557 -15.497 3 HB1 ALA 79 1HB ALA 79 10.969 -26.189 -17.293 4 HB3 ALA 79 2HB ALA 79 9.725 -25.421 -18.304 5 HB2 ALA 79 3HB ALA 79 10.251 -24.650 -16.791 No H/Q in entry = 5 Start of MODEL 7 1 H CYS 80 H CYS 80 8.195 -24.930 -14.534 2 HA CYS 80 HA CYS 80 5.477 -24.445 -15.540 3 HB2 CYS 80 1HB CYS 80 5.933 -25.221 -13.224 4 HB3 CYS 80 2HB CYS 80 6.704 -23.666 -12.891 No H/Q in entry = 4 Start of MODEL 7 1 H ARG 81 H ARG 81 4.900 -22.527 -16.521 2 HA ARG 81 HA ARG 81 6.853 -20.337 -16.769 3 HB2 ARG 81 1HB ARG 81 5.698 -21.313 -18.754 4 HB3 ARG 81 2HB ARG 81 4.154 -20.791 -18.059 5 HG2 ARG 81 1HG ARG 81 5.032 -18.415 -18.071 6 HG3 ARG 81 2HG ARG 81 6.435 -19.024 -18.974 7 HD2 ARG 81 1HD ARG 81 4.897 -19.846 -20.766 8 HD3 ARG 81 2HD ARG 81 3.522 -19.278 -19.825 9 HE ARG 81 HE ARG 81 3.917 -17.104 -20.389 10 HH12 ARG 81 HH11 ARG 81 7.391 -17.745 -22.392 11 HH11 ARG 81 HH12 ARG 81 6.700 -19.050 -21.461 12 HH21 ARG 81 HH21 ARG 81 4.835 -15.434 -21.621 13 HH22 ARG 81 HH22 ARG 81 6.332 -15.691 -22.487 No H/Q in entry = 13 Start of MODEL 7 1 H VAL 82 H VAL 82 6.673 -18.798 -15.125 2 HA VAL 82 HA VAL 82 3.942 -18.217 -14.034 3 HB VAL 82 HB VAL 82 6.518 -18.195 -12.440 4 HG12 VAL 82 HG11 VAL 82 3.562 -18.133 -11.702 5 HG13 VAL 82 HG12 VAL 82 4.923 -18.120 -10.559 6 HG11 VAL 82 HG13 VAL 82 4.660 -16.736 -11.639 7 HG21 VAL 82 HG21 VAL 82 4.373 -20.347 -12.639 8 HG22 VAL 82 HG22 VAL 82 6.093 -20.525 -13.057 9 HG23 VAL 82 HG23 VAL 82 5.619 -20.265 -11.377 No H/Q in entry = 9 Start of MODEL 7 1 H ASN 83 H ASN 83 3.689 -16.609 -15.609 2 HA ASN 83 HA ASN 83 5.187 -14.081 -15.216 3 HB2 ASN 83 1HB ASN 83 2.705 -14.761 -16.839 4 HB3 ASN 83 2HB ASN 83 3.432 -13.158 -16.738 5 HD21 ASN 83 HD21 ASN 83 5.564 -12.806 -17.673 6 HD22 ASN 83 HD22 ASN 83 6.144 -13.872 -18.932 No H/Q in entry = 6 Start of MODEL 7 1 H HIS 84 H HIS 84 4.122 -12.247 -14.299 2 HA HIS 84 HA HIS 84 1.597 -12.466 -12.915 3 HB2 HIS 84 1HB HIS 84 3.114 -13.713 -11.356 4 HB3 HIS 84 2HB HIS 84 4.171 -12.301 -11.292 5 HD2 HIS 84 HD2 HIS 84 0.390 -13.101 -10.362 6 HE1 HIS 84 HE1 HIS 84 1.901 -10.163 -7.735 7 HE2 HIS 84 HE2 HIS 84 -0.120 -11.616 -8.283 No H/Q in entry = 7 Start of MODEL 7 1 H VAL 85 H VAL 85 1.013 -10.369 -11.951 2 HA VAL 85 HA VAL 85 1.655 -8.298 -13.712 3 HB VAL 85 HB VAL 85 -0.459 -8.549 -12.515 4 HG12 VAL 85 HG11 VAL 85 0.946 -7.337 -10.089 5 HG13 VAL 85 HG12 VAL 85 -0.775 -7.710 -10.257 6 HG11 VAL 85 HG13 VAL 85 0.409 -9.030 -10.211 7 HG21 VAL 85 HG21 VAL 85 0.162 -6.419 -13.618 8 HG22 VAL 85 HG22 VAL 85 -0.922 -6.191 -12.235 9 HG23 VAL 85 HG23 VAL 85 0.805 -5.819 -12.073 No H/Q in entry = 9 Start of MODEL 7 1 H THR 86 H THR 86 3.010 -8.944 -10.446 2 HA THR 86 HA THR 86 4.477 -6.458 -10.340 3 HB THR 86 HB THR 86 5.642 -7.439 -8.446 4 HG1 THR 86 HG1 THR 86 4.227 -9.803 -9.089 5 HG23 THR 86 HG21 THR 86 3.700 -7.837 -6.981 6 HG22 THR 86 HG22 THR 86 2.645 -8.012 -8.390 7 HG21 THR 86 HG23 THR 86 3.426 -6.455 -8.065 No H/Q in entry = 7 Start of MODEL 7 1 H LEU 87 H LEU 87 5.135 -9.709 -11.622 2 HA LEU 87 HA LEU 87 7.937 -9.120 -12.266 3 HB2 LEU 87 1HB LEU 87 6.172 -11.354 -13.312 4 HB3 LEU 87 2HB LEU 87 7.929 -11.304 -13.297 5 HG LEU 87 HG LEU 87 6.233 -11.457 -10.769 6 HD12 LEU 87 HD11 LEU 87 7.010 -13.804 -10.726 7 HD11 LEU 87 HD12 LEU 87 7.799 -13.565 -12.305 8 HD13 LEU 87 HD13 LEU 87 6.037 -13.478 -12.172 9 HD22 LEU 87 HD21 LEU 87 8.397 -10.390 -10.340 10 HD21 LEU 87 HD22 LEU 87 9.238 -11.655 -11.264 11 HD23 LEU 87 HD23 LEU 87 8.428 -12.051 -9.735 No H/Q in entry = 11 Start of MODEL 7 1 H SER 88 H SER 88 8.216 -10.029 -14.787 2 HA SER 88 HA SER 88 6.368 -8.678 -16.639 3 HB2 SER 88 1HB SER 88 8.310 -7.611 -17.811 4 HB3 SER 88 2HB SER 88 7.978 -6.914 -16.214 5 HG SER 88 HG SER 88 9.673 -8.179 -15.383 No H/Q in entry = 5 Start of MODEL 7 1 H GLN 89 H GLN 89 9.514 -10.355 -16.368 2 HA GLN 89 HA GLN 89 9.100 -11.804 -18.842 3 HB2 GLN 89 1HB GLN 89 11.301 -12.738 -18.431 4 HB3 GLN 89 2HB GLN 89 11.313 -10.993 -18.163 5 HG2 GLN 89 1HG GLN 89 11.192 -11.391 -15.698 6 HG3 GLN 89 2HG GLN 89 11.220 -13.140 -15.986 7 HE21 GLN 89 HE21 GLN 89 13.125 -13.958 -17.352 8 HE22 GLN 89 HE22 GLN 89 14.680 -13.222 -17.028 No H/Q in entry = 8 Start of MODEL 7 1 HA PRO 90 HA PRO 90 7.264 -15.449 -16.946 2 HB2 PRO 90 1HB PRO 90 8.039 -17.426 -18.657 3 HB3 PRO 90 2HB PRO 90 6.834 -16.192 -19.108 4 HG2 PRO 90 1HG PRO 90 9.780 -16.219 -19.776 5 HG3 PRO 90 2HG PRO 90 8.409 -15.901 -20.872 6 HD2 PRO 90 1HD PRO 90 9.835 -13.888 -19.737 7 HD3 PRO 90 2HD PRO 90 8.071 -13.740 -19.971 No H/Q in entry = 7 Start of MODEL 7 1 H LYS 91 H LYS 91 8.088 -16.267 -15.077 2 HA LYS 91 HA LYS 91 10.914 -17.057 -14.823 3 HB2 LYS 91 1HB LYS 91 8.516 -17.347 -12.982 4 HB3 LYS 91 2HB LYS 91 10.154 -17.926 -12.624 5 HG2 LYS 91 1HG LYS 91 11.027 -15.618 -12.823 6 HG3 LYS 91 2HG LYS 91 9.419 -15.039 -13.259 7 HD2 LYS 91 1HD LYS 91 9.813 -14.538 -10.928 8 HD3 LYS 91 2HD LYS 91 8.523 -15.740 -11.071 9 HE2 LYS 91 1HE LYS 91 10.060 -16.225 -9.204 10 HE3 LYS 91 2HE LYS 91 10.055 -17.531 -10.392 11 HZ1 LYS 91 1HZ LYS 91 12.071 -15.402 -10.208 12 HZ3 LYS 91 2HZ LYS 91 12.090 -16.663 -11.271 13 HZ2 LYS 91 3HZ LYS 91 12.256 -16.945 -9.656 No H/Q in entry = 13 Start of MODEL 7 1 H ILE 92 H ILE 92 11.327 -18.684 -16.273 2 HA ILE 92 HA ILE 92 9.562 -21.018 -16.561 3 HB ILE 92 HB ILE 92 12.367 -20.495 -17.623 4 HG13 ILE 92 HG12 ILE 92 11.321 -20.001 -19.776 5 HG22 ILE 92 HG21 ILE 92 11.739 -22.286 -19.271 6 HG23 ILE 92 HG22 ILE 92 11.901 -22.871 -17.614 7 HG21 ILE 92 HG23 ILE 92 10.289 -22.617 -18.299 8 HD13 ILE 92 HD11 ILE 92 8.985 -19.367 -19.962 9 HD11 ILE 92 HD12 ILE 92 9.069 -21.061 -19.460 10 HD12 ILE 92 HD13 ILE 92 8.678 -19.796 -18.272 11 HG12 ILE 92 HG11 ILE 92 10.920 -18.806 -18.551 No H/Q in entry = 11 Start of MODEL 7 1 H VAL 93 H VAL 93 9.447 -21.679 -14.367 2 HA VAL 93 HA VAL 93 11.841 -22.182 -12.830 3 HB VAL 93 HB VAL 93 9.012 -23.184 -12.314 4 HG13 VAL 93 HG11 VAL 93 10.664 -24.412 -11.003 5 HG11 VAL 93 HG12 VAL 93 11.547 -22.923 -10.623 6 HG12 VAL 93 HG13 VAL 93 9.947 -23.201 -9.929 7 HG22 VAL 93 HG21 VAL 93 8.975 -20.756 -12.471 8 HG23 VAL 93 HG22 VAL 93 8.787 -21.312 -10.810 9 HG21 VAL 93 HG23 VAL 93 10.356 -20.647 -11.351 No H/Q in entry = 9 Start of MODEL 7 1 H LYS 94 H LYS 94 13.114 -23.886 -13.064 2 HA LYS 94 HA LYS 94 12.429 -26.057 -14.901 3 HB2 LYS 94 1HB LYS 94 14.916 -25.536 -13.232 4 HB3 LYS 94 2HB LYS 94 14.747 -26.743 -14.525 5 HG2 LYS 94 1HG LYS 94 14.207 -24.862 -16.123 6 HG3 LYS 94 2HG LYS 94 14.587 -23.704 -14.839 7 HD2 LYS 94 1HD LYS 94 16.509 -25.759 -16.019 8 HD3 LYS 94 2HD LYS 94 16.473 -24.026 -16.378 9 HE2 LYS 94 1HE LYS 94 16.933 -23.551 -13.949 10 HE3 LYS 94 2HE LYS 94 17.114 -25.297 -13.677 11 HZ2 LYS 94 1HZ LYS 94 18.745 -23.681 -15.488 12 HZ1 LYS 94 2HZ LYS 94 18.887 -25.308 -15.253 13 HZ3 LYS 94 3HZ LYS 94 19.198 -24.266 -14.014 No H/Q in entry = 13 Start of MODEL 7 1 H TRP 95 H TRP 95 10.968 -27.456 -14.016 2 HA TRP 95 HA TRP 95 10.589 -28.329 -11.423 3 HB2 TRP 95 1HB TRP 95 9.099 -29.083 -13.167 4 HB3 TRP 95 2HB TRP 95 10.431 -29.802 -14.053 5 HD1 TRP 95 HD1 TRP 95 9.177 -30.395 -10.420 6 HE1 TRP 95 HE1 TRP 95 9.183 -32.929 -9.980 7 HE3 TRP 95 HE3 TRP 95 10.715 -31.994 -15.002 8 HZ2 TRP 95 HZ2 TRP 95 9.789 -35.336 -11.433 9 HZ3 TRP 95 HZ3 TRP 95 11.003 -34.430 -15.457 10 HH2 TRP 95 HH2 TRP 95 10.527 -36.097 -13.681 No H/Q in entry = 10 Start of MODEL 7 1 H ASP 96 H ASP 96 12.157 -28.870 -10.023 2 HA ASP 96 HA ASP 96 14.435 -30.578 -10.809 3 HB2 ASP 96 1HB ASP 96 13.645 -29.301 -8.164 4 HB3 ASP 96 2HB ASP 96 15.090 -30.287 -8.441 No H/Q in entry = 4 Start of MODEL 7 1 H ARG 97 H ARG 97 13.647 -32.552 -11.285 2 HA ARG 97 HA ARG 97 11.711 -34.075 -9.947 3 HB2 ARG 97 1HB ARG 97 12.591 -35.916 -11.076 4 HB3 ARG 97 2HB ARG 97 12.842 -34.551 -12.162 5 HG2 ARG 97 1HG ARG 97 14.968 -35.883 -10.419 6 HG3 ARG 97 2HG ARG 97 14.707 -36.139 -12.143 7 HD2 ARG 97 1HD ARG 97 15.231 -33.761 -12.603 8 HD3 ARG 97 2HD ARG 97 15.548 -33.512 -10.872 9 HE ARG 97 HE ARG 97 17.060 -35.697 -12.039 10 HH12 ARG 97 HH11 ARG 97 18.793 -32.071 -11.431 11 HH11 ARG 97 HH12 ARG 97 17.051 -32.184 -11.444 12 HH21 ARG 97 HH21 ARG 97 19.325 -35.513 -12.022 13 HH22 ARG 97 HH22 ARG 97 20.087 -33.960 -11.770 No H/Q in entry = 13 Start of MODEL 7 1 H ASP 98 H ASP 98 14.948 -33.222 -8.954 2 HA ASP 98 HA ASP 98 15.432 -35.269 -7.038 3 HB2 ASP 98 1HB ASP 98 17.173 -33.853 -8.059 4 HB3 ASP 98 2HB ASP 98 16.467 -32.413 -7.314 No H/Q in entry = 4 Start of MODEL 7 1 H MET 99 H MET 99 14.010 -31.966 -6.836 2 HA MET 99 HA MET 99 12.844 -32.608 -4.166 3 HB2 MET 99 1HB MET 99 14.385 -30.087 -4.920 4 HB3 MET 99 2HB MET 99 13.436 -30.314 -3.437 5 HG2 MET 99 1HG MET 99 14.901 -32.205 -2.793 6 HG3 MET 99 2HG MET 99 15.862 -31.955 -4.258 7 HE2 MET 99 1HE MET 99 18.331 -30.864 -1.468 8 HE3 MET 99 2HE MET 99 17.107 -32.150 -1.340 9 HE1 MET 99 3HE MET 99 18.036 -31.951 -2.844 No H/Q in entry = 9 Start of MODEL 8 1 H1 MET 0 3H MET 0 -0.845 -1.498 1.062 2 H2 MET 0 1H MET 0 -2.416 -1.677 0.584 3 H3 MET 0 2H MET 0 -1.667 -2.876 1.436 4 HA MET 0 HA MET 0 -1.838 -3.507 -0.799 5 HB2 MET 0 1HB MET 0 -0.789 -2.267 -2.590 6 HB3 MET 0 2HB MET 0 -1.959 -1.243 -1.745 7 HG2 MET 0 1HG MET 0 -0.028 -0.222 -0.464 8 HG3 MET 0 2HG MET 0 1.077 -1.159 -1.481 9 HE2 MET 0 1HE MET 0 2.377 1.048 -2.141 10 HE3 MET 0 2HE MET 0 1.562 2.514 -2.734 11 HE1 MET 0 3HE MET 0 1.277 1.950 -1.071 No H/Q in entry = 11 Start of MODEL 8 1 H ILE 1 H ILE 1 -0.285 -4.911 -1.691 2 HA ILE 1 HA ILE 1 2.507 -4.652 -1.057 3 HB ILE 1 HB ILE 1 1.692 -5.511 1.092 4 HG13 ILE 1 HG12 ILE 1 3.930 -6.002 0.257 5 HG23 ILE 1 HG21 ILE 1 0.686 -7.656 1.408 6 HG21 ILE 1 HG22 ILE 1 -0.305 -6.775 0.251 7 HG22 ILE 1 HG23 ILE 1 0.785 -8.053 -0.312 8 HD11 ILE 1 HD11 ILE 1 3.249 -6.845 2.500 9 HD12 ILE 1 HD12 ILE 1 2.813 -8.404 1.759 10 HD13 ILE 1 HD13 ILE 1 4.491 -7.842 1.715 11 HG12 ILE 1 HG11 ILE 1 3.366 -7.501 -0.481 No H/Q in entry = 11 Start of MODEL 8 1 H GLN 2 H GLN 2 3.507 -5.310 -2.836 2 HA GLN 2 HA GLN 2 2.114 -6.993 -4.827 3 HB2 GLN 2 1HB GLN 2 4.631 -5.289 -4.900 4 HB3 GLN 2 2HB GLN 2 4.024 -6.256 -6.252 5 HG2 GLN 2 1HG GLN 2 1.873 -4.985 -6.180 6 HG3 GLN 2 2HG GLN 2 2.546 -3.965 -4.897 7 HE21 GLN 2 HE21 GLN 2 3.155 -5.076 -8.275 8 HE22 GLN 2 HE22 GLN 2 3.952 -3.606 -8.794 No H/Q in entry = 8 Start of MODEL 8 1 H ARG 3 H ARG 3 2.401 -8.858 -3.180 2 HA ARG 3 HA ARG 3 5.026 -9.926 -2.733 3 HB2 ARG 3 1HB ARG 3 2.327 -11.327 -2.628 4 HB3 ARG 3 2HB ARG 3 3.874 -11.929 -1.995 5 HG2 ARG 3 1HG ARG 3 3.966 -9.998 -0.423 6 HG3 ARG 3 2HG ARG 3 2.400 -9.445 -1.060 7 HD2 ARG 3 1HD ARG 3 2.060 -10.647 1.032 8 HD3 ARG 3 2HD ARG 3 1.328 -11.521 -0.323 9 HE ARG 3 HE ARG 3 3.968 -12.488 0.062 10 HH12 ARG 3 HH11 ARG 3 1.064 -14.138 2.374 11 HH11 ARG 3 HH12 ARG 3 0.799 -12.558 1.681 12 HH21 ARG 3 HH21 ARG 3 4.271 -14.560 0.953 13 HH22 ARG 3 HH22 ARG 3 3.040 -15.277 1.967 No H/Q in entry = 13 Start of MODEL 8 1 H THR 4 H THR 4 6.156 -11.501 -3.787 2 HA THR 4 HA THR 4 5.376 -12.228 -6.520 3 HB THR 4 HB THR 4 7.708 -13.214 -6.523 4 HG1 THR 4 HG1 THR 4 7.846 -13.575 -4.287 5 HG22 THR 4 HG21 THR 4 7.530 -10.292 -5.668 6 HG21 THR 4 HG22 THR 4 7.312 -10.913 -7.320 7 HG23 THR 4 HG23 THR 4 8.884 -11.070 -6.513 No H/Q in entry = 7 Start of MODEL 8 1 HA PRO 5 HA PRO 5 4.134 -16.390 -5.319 2 HB2 PRO 5 1HB PRO 5 4.838 -17.837 -7.547 3 HB3 PRO 5 2HB PRO 5 3.446 -16.710 -7.499 4 HG2 PRO 5 1HG PRO 5 6.231 -16.192 -8.564 5 HG3 PRO 5 2HG PRO 5 4.664 -15.804 -9.336 6 HD2 PRO 5 1HD PRO 5 6.073 -13.939 -7.976 7 HD3 PRO 5 2HD PRO 5 4.291 -13.991 -7.872 No H/Q in entry = 7 Start of MODEL 8 1 H LYS 6 H LYS 6 5.095 -17.853 -4.013 2 HA LYS 6 HA LYS 6 8.016 -18.244 -4.048 3 HB2 LYS 6 1HB LYS 6 6.936 -17.978 -1.909 4 HB3 LYS 6 2HB LYS 6 5.859 -19.348 -2.228 5 HG2 LYS 6 1HG LYS 6 7.735 -20.892 -2.312 6 HG3 LYS 6 2HG LYS 6 8.906 -19.581 -2.159 7 HD2 LYS 6 1HD LYS 6 6.794 -20.165 -0.035 8 HD3 LYS 6 2HD LYS 6 8.360 -20.993 -0.081 9 HE2 LYS 6 1HE LYS 6 9.549 -18.835 0.059 10 HE3 LYS 6 2HE LYS 6 7.999 -17.976 0.165 11 HZ1 LYS 6 1HZ LYS 6 8.946 -20.003 2.062 12 HZ3 LYS 6 2HZ LYS 6 7.549 -19.135 2.180 13 HZ2 LYS 6 3HZ LYS 6 9.007 -18.373 2.297 No H/Q in entry = 13 Start of MODEL 8 1 H ILE 7 H ILE 7 8.807 -19.623 -5.468 2 HA ILE 7 HA ILE 7 7.200 -21.529 -6.905 3 HB ILE 7 HB ILE 7 9.356 -22.049 -8.039 4 HG13 ILE 7 HG12 ILE 7 10.923 -21.486 -6.153 5 HG22 ILE 7 HG21 ILE 7 8.588 -19.098 -7.882 6 HG23 ILE 7 HG22 ILE 7 9.395 -19.897 -9.241 7 HG21 ILE 7 HG23 ILE 7 7.742 -20.340 -8.824 8 HD13 ILE 7 HD11 ILE 7 12.662 -20.473 -7.419 9 HD11 ILE 7 HD12 ILE 7 11.790 -21.609 -8.460 10 HD12 ILE 7 HD13 ILE 7 11.535 -19.852 -8.631 11 HG12 ILE 7 HG11 ILE 7 10.543 -19.776 -6.374 No H/Q in entry = 11 Start of MODEL 8 1 H GLN 8 H GLN 8 6.784 -23.575 -6.433 2 HA GLN 8 HA GLN 8 8.640 -25.238 -4.834 3 HB2 GLN 8 1HB GLN 8 5.760 -24.638 -4.056 4 HB3 GLN 8 2HB GLN 8 6.741 -25.945 -3.367 5 HG2 GLN 8 1HG GLN 8 8.351 -24.262 -2.512 6 HG3 GLN 8 2HG GLN 8 7.351 -22.968 -3.195 7 HE21 GLN 8 HE21 GLN 8 5.633 -22.160 -2.067 8 HE22 GLN 8 HE22 GLN 8 5.086 -22.806 -0.537 No H/Q in entry = 8 Start of MODEL 8 1 H VAL 9 H VAL 9 8.839 -25.956 -7.101 2 HA VAL 9 HA VAL 9 6.536 -27.413 -8.235 3 HB VAL 9 HB VAL 9 9.185 -26.710 -9.444 4 HG12 VAL 9 HG11 VAL 9 6.528 -27.554 -10.688 5 HG13 VAL 9 HG12 VAL 9 7.987 -27.076 -11.583 6 HG11 VAL 9 HG13 VAL 9 8.002 -28.541 -10.593 7 HG23 VAL 9 HG21 VAL 9 7.835 -24.894 -10.599 8 HG21 VAL 9 HG22 VAL 9 6.529 -25.223 -9.450 9 HG22 VAL 9 HG23 VAL 9 8.088 -24.624 -8.863 No H/Q in entry = 9 Start of MODEL 8 1 H TYR 10 H TYR 10 6.560 -29.278 -7.003 2 HA TYR 10 HA TYR 10 8.978 -31.015 -7.011 3 HB2 TYR 10 1HB TYR 10 8.073 -32.066 -5.113 4 HB3 TYR 10 2HB TYR 10 8.186 -30.330 -4.902 5 HD1 TYR 10 HD1 TYR 10 6.116 -28.918 -4.848 6 HD2 TYR 10 HD2 TYR 10 5.974 -33.221 -4.893 7 HE1 TYR 10 HE1 TYR 10 3.786 -28.849 -4.008 8 HE2 TYR 10 HE2 TYR 10 3.653 -33.153 -4.034 9 HH TYR 10 HH TYR 10 1.875 -31.832 -3.446 No H/Q in entry = 9 Start of MODEL 8 1 H SER 11 H SER 11 8.803 -33.282 -7.390 2 HA SER 11 HA SER 11 6.577 -34.274 -9.052 3 HB2 SER 11 1HB SER 11 7.859 -36.386 -9.025 4 HB3 SER 11 2HB SER 11 8.763 -35.017 -9.677 5 HG SER 11 HG SER 11 9.805 -34.836 -7.651 No H/Q in entry = 5 Start of MODEL 8 1 H ARG 12 H ARG 12 4.748 -34.854 -8.030 2 HA ARG 12 HA ARG 12 4.422 -35.161 -5.242 3 HB2 ARG 12 1HB ARG 12 2.617 -34.560 -6.798 4 HB3 ARG 12 2HB ARG 12 2.765 -36.117 -7.602 5 HG2 ARG 12 1HG ARG 12 0.837 -36.161 -6.177 6 HG3 ARG 12 2HG ARG 12 2.033 -37.272 -5.497 7 HD2 ARG 12 1HD ARG 12 2.677 -35.590 -3.814 8 HD3 ARG 12 2HD ARG 12 1.602 -34.405 -4.593 9 HE ARG 12 HE ARG 12 0.293 -36.873 -3.738 10 HH12 ARG 12 HH11 ARG 12 0.033 -33.502 -1.480 11 HH11 ARG 12 HH12 ARG 12 1.252 -33.596 -2.726 12 HH21 ARG 12 HH21 ARG 12 -1.273 -36.726 -2.081 13 HH22 ARG 12 HH22 ARG 12 -1.392 -35.282 -1.105 No H/Q in entry = 13 Start of MODEL 8 1 H HIS 13 H HIS 13 4.091 -37.686 -7.764 2 HA HIS 13 HA HIS 13 4.749 -39.837 -5.879 3 HB2 HIS 13 1HB HIS 13 3.961 -39.771 -8.817 4 HB3 HIS 13 2HB HIS 13 4.229 -41.256 -7.891 5 HD1 HIS 13 HD1 HIS 13 2.352 -41.966 -6.231 6 HD2 HIS 13 HD2 HIS 13 1.620 -38.313 -8.150 7 HE1 HIS 13 HE1 HIS 13 -0.058 -41.321 -5.743 No H/Q in entry = 7 Start of MODEL 8 1 HA PRO 14 HA PRO 14 9.030 -39.680 -6.818 2 HB2 PRO 14 1HB PRO 14 9.863 -42.306 -6.712 3 HB3 PRO 14 2HB PRO 14 9.382 -41.347 -5.288 4 HG2 PRO 14 1HG PRO 14 7.658 -43.268 -6.870 5 HG3 PRO 14 2HG PRO 14 7.878 -43.200 -5.096 6 HD2 PRO 14 1HD PRO 14 5.747 -42.033 -6.280 7 HD3 PRO 14 2HD PRO 14 6.585 -41.194 -4.943 No H/Q in entry = 7 Start of MODEL 8 1 H ALA 15 H ALA 15 10.037 -39.284 -8.698 2 HA ALA 15 HA ALA 15 8.790 -40.077 -11.171 3 HB3 ALA 15 1HB ALA 15 10.438 -38.550 -12.165 4 HB1 ALA 15 2HB ALA 15 9.594 -37.816 -10.789 5 HB2 ALA 15 3HB ALA 15 11.259 -38.399 -10.594 No H/Q in entry = 5 Start of MODEL 8 1 H GLU 16 H GLU 16 9.107 -42.389 -11.200 2 HA GLU 16 HA GLU 16 11.740 -43.545 -11.587 3 HB2 GLU 16 1HB GLU 16 8.921 -44.453 -12.250 4 HB3 GLU 16 2HB GLU 16 10.346 -45.365 -12.749 5 HG2 GLU 16 1HG GLU 16 9.578 -46.367 -10.750 6 HG3 GLU 16 2HG GLU 16 11.090 -45.532 -10.381 No H/Q in entry = 6 Start of MODEL 8 1 H ASN 17 H ASN 17 12.566 -44.315 -13.611 2 HA ASN 17 HA ASN 17 12.702 -42.293 -15.594 3 HB2 ASN 17 1HB ASN 17 14.489 -43.912 -14.912 4 HB3 ASN 17 2HB ASN 17 13.624 -45.198 -15.752 5 HD21 ASN 17 HD21 ASN 17 13.032 -44.519 -18.187 6 HD22 ASN 17 HD22 ASN 17 14.347 -43.768 -19.065 No H/Q in entry = 6 Start of MODEL 8 1 H GLY 18 H GLY 18 10.889 -41.833 -16.813 2 HA3 GLY 18 1HA GLY 18 9.345 -42.085 -18.481 3 HA2 GLY 18 2HA GLY 18 10.040 -43.670 -18.846 No H/Q in entry = 3 Start of MODEL 8 1 H LYS 19 H LYS 19 8.085 -42.033 -16.306 2 HA LYS 19 HA LYS 19 6.051 -44.157 -16.389 3 HB2 LYS 19 1HB LYS 19 7.850 -44.754 -14.656 4 HB3 LYS 19 2HB LYS 19 7.353 -43.306 -13.763 5 HG2 LYS 19 1HG LYS 19 5.066 -44.247 -13.526 6 HG3 LYS 19 2HG LYS 19 5.533 -45.632 -14.540 7 HD2 LYS 19 1HD LYS 19 7.249 -46.247 -12.806 8 HD3 LYS 19 2HD LYS 19 6.709 -44.862 -11.834 9 HE2 LYS 19 1HE LYS 19 5.704 -46.884 -10.972 10 HE3 LYS 19 2HE LYS 19 4.442 -45.853 -11.669 11 HZ2 LYS 19 1HZ LYS 19 4.208 -48.155 -12.279 12 HZ1 LYS 19 2HZ LYS 19 5.693 -48.159 -12.994 13 HZ3 LYS 19 3HZ LYS 19 4.481 -47.228 -13.614 No H/Q in entry = 13 Start of MODEL 8 1 H SER 20 H SER 20 4.057 -43.409 -15.243 2 HA SER 20 HA SER 20 3.587 -40.567 -15.717 3 HB2 SER 20 1HB SER 20 1.761 -42.791 -14.732 4 HB3 SER 20 2HB SER 20 1.254 -41.146 -15.171 5 HG SER 20 HG SER 20 2.539 -43.008 -16.884 No H/Q in entry = 5 Start of MODEL 8 1 H ASN 21 H ASN 21 3.465 -38.987 -14.227 2 HA ASN 21 HA ASN 21 3.197 -39.506 -11.326 3 HB2 ASN 21 1HB ASN 21 5.552 -38.054 -12.617 4 HB3 ASN 21 2HB ASN 21 5.233 -38.124 -10.884 5 HD21 ASN 21 HD21 ASN 21 5.645 -40.096 -9.728 6 HD22 ASN 21 HD22 ASN 21 6.577 -41.390 -10.440 No H/Q in entry = 6 Start of MODEL 8 1 H PHE 22 H PHE 22 2.951 -37.302 -10.197 2 HA PHE 22 HA PHE 22 1.685 -35.317 -11.993 3 HB2 PHE 22 1HB PHE 22 1.227 -36.048 -9.155 4 HB3 PHE 22 2HB PHE 22 0.711 -34.503 -9.819 5 HD1 PHE 22 HD1 PHE 22 0.333 -38.204 -10.215 6 HD2 PHE 22 HD2 PHE 22 -1.129 -34.301 -11.330 7 HE1 PHE 22 HE1 PHE 22 -1.634 -39.243 -11.303 8 HE2 PHE 22 HE2 PHE 22 -3.132 -35.344 -12.345 9 HZ PHE 22 HZ PHE 22 -3.386 -37.817 -12.337 No H/Q in entry = 9 Start of MODEL 8 1 H LEU 23 H LEU 23 2.672 -33.443 -12.431 2 HA LEU 23 HA LEU 23 4.978 -32.459 -10.884 3 HB2 LEU 23 1HB LEU 23 5.059 -32.480 -13.340 4 HB3 LEU 23 2HB LEU 23 3.591 -31.531 -13.423 5 HG LEU 23 HG LEU 23 4.840 -29.626 -12.306 6 HD12 LEU 23 HD11 LEU 23 7.339 -29.804 -12.383 7 HD11 LEU 23 HD12 LEU 23 7.192 -31.545 -12.678 8 HD13 LEU 23 HD13 LEU 23 6.615 -30.844 -11.146 9 HD22 LEU 23 HD21 LEU 23 4.542 -29.735 -14.730 10 HD21 LEU 23 HD22 LEU 23 5.961 -30.791 -14.884 11 HD23 LEU 23 HD23 LEU 23 6.155 -29.103 -14.353 No H/Q in entry = 11 Start of MODEL 8 1 H ASN 24 H ASN 24 4.341 -31.449 -9.009 2 HA ASN 24 HA ASN 24 1.783 -29.930 -8.933 3 HB2 ASN 24 1HB ASN 24 3.621 -31.135 -6.854 4 HB3 ASN 24 2HB ASN 24 2.314 -30.008 -6.461 5 HD21 ASN 24 HD21 ASN 24 1.256 -31.667 -5.207 6 HD22 ASN 24 HD22 ASN 24 0.360 -32.950 -5.997 No H/Q in entry = 6 Start of MODEL 8 1 H CYS 25 H CYS 25 2.374 -28.073 -9.990 2 HA CYS 25 HA CYS 25 4.635 -26.449 -8.991 3 HB2 CYS 25 1HB CYS 25 4.231 -26.445 -11.361 4 HB3 CYS 25 2HB CYS 25 2.581 -25.875 -11.142 No H/Q in entry = 4 Start of MODEL 8 1 H TYR 26 H TYR 26 4.135 -26.055 -6.851 2 HA TYR 26 HA TYR 26 1.469 -25.090 -6.107 3 HB2 TYR 26 1HB TYR 26 2.556 -26.831 -4.828 4 HB3 TYR 26 2HB TYR 26 3.921 -25.795 -4.481 5 HD1 TYR 26 HD1 TYR 26 0.292 -26.315 -3.851 6 HD2 TYR 26 HD2 TYR 26 3.821 -24.150 -2.700 7 HE1 TYR 26 HE1 TYR 26 -0.672 -25.947 -1.604 8 HE2 TYR 26 HE2 TYR 26 2.794 -23.634 -0.502 9 HH TYR 26 HH TYR 26 0.962 -23.914 0.863 No H/Q in entry = 9 Start of MODEL 8 1 H VAL 27 H VAL 27 1.210 -23.025 -6.787 2 HA VAL 27 HA VAL 27 3.381 -21.039 -6.519 3 HB VAL 27 HB VAL 27 0.730 -20.988 -8.013 4 HG13 VAL 27 HG11 VAL 27 1.726 -19.089 -9.219 5 HG11 VAL 27 HG12 VAL 27 1.606 -18.702 -7.495 6 HG12 VAL 27 HG13 VAL 27 3.168 -19.178 -8.195 7 HG23 VAL 27 HG21 VAL 27 2.206 -21.286 -10.014 8 HG21 VAL 27 HG22 VAL 27 3.588 -21.534 -8.933 9 HG22 VAL 27 HG23 VAL 27 2.236 -22.686 -8.944 No H/Q in entry = 9 Start of MODEL 8 1 H SER 28 H SER 28 3.278 -20.534 -4.280 2 HA SER 28 HA SER 28 0.701 -19.615 -3.176 3 HB2 SER 28 1HB SER 28 1.721 -20.060 -1.017 4 HB3 SER 28 2HB SER 28 1.693 -21.471 -2.100 5 HG SER 28 HG SER 28 3.913 -19.758 -1.708 No H/Q in entry = 5 Start of MODEL 8 1 H GLY 29 H GLY 29 0.315 -17.754 -2.183 2 HA3 GLY 29 1HA GLY 29 0.630 -15.905 -0.946 3 HA2 GLY 29 2HA GLY 29 2.361 -16.232 -0.927 No H/Q in entry = 3 Start of MODEL 8 1 H PHE 30 H PHE 30 0.559 -15.690 -3.950 2 HA PHE 30 HA PHE 30 2.196 -13.280 -4.455 3 HB2 PHE 30 1HB PHE 30 1.709 -13.671 -6.761 4 HB3 PHE 30 2HB PHE 30 2.383 -15.090 -5.987 5 HD1 PHE 30 HD1 PHE 30 1.012 -17.147 -5.672 6 HD2 PHE 30 HD2 PHE 30 -0.582 -13.637 -7.582 7 HE1 PHE 30 HE1 PHE 30 -1.066 -18.385 -6.249 8 HE2 PHE 30 HE2 PHE 30 -2.737 -14.817 -7.945 9 HZ PHE 30 HZ PHE 30 -2.984 -17.183 -7.269 No H/Q in entry = 9 Start of MODEL 8 1 H HIS 31 H HIS 31 1.274 -11.286 -4.531 2 HA HIS 31 HA HIS 31 -1.684 -10.967 -4.693 3 HB2 HIS 31 1HB HIS 31 0.499 -9.332 -3.499 4 HB3 HIS 31 2HB HIS 31 -1.095 -8.664 -3.856 5 HD1 HIS 31 HD1 HIS 31 -2.395 -8.545 -1.769 6 HD2 HIS 31 HD2 HIS 31 -0.282 -12.148 -2.093 7 HE1 HIS 31 HE1 HIS 31 -3.068 -9.996 0.196 No H/Q in entry = 7 Start of MODEL 8 1 HA PRO 32 HA PRO 32 -3.289 -9.685 -5.527 2 HB2 PRO 32 1HB PRO 32 -4.883 -9.110 -7.619 3 HB3 PRO 32 2HB PRO 32 -3.895 -7.848 -6.846 4 HG2 PRO 32 1HG PRO 32 -3.170 -9.474 -9.310 5 HG3 PRO 32 2HG PRO 32 -3.236 -7.692 -9.175 6 HD2 PRO 32 1HD PRO 32 -0.923 -9.113 -8.813 7 HD3 PRO 32 2HD PRO 32 -1.270 -7.650 -7.844 No H/Q in entry = 7 Start of MODEL 8 1 H SER 33 H SER 33 -5.325 -10.936 -6.762 2 HA SER 33 HA SER 33 -4.686 -13.684 -6.955 3 HB2 SER 33 1HB SER 33 -7.071 -13.846 -7.710 4 HB3 SER 33 2HB SER 33 -6.866 -12.872 -6.243 5 HG SER 33 HG SER 33 -7.088 -11.864 -8.892 No H/Q in entry = 5 Start of MODEL 8 1 H ASP 34 H ASP 34 -4.527 -11.172 -9.371 2 HA ASP 34 HA ASP 34 -5.335 -12.768 -11.614 3 HB2 ASP 34 1HB ASP 34 -4.059 -10.010 -11.487 4 HB3 ASP 34 2HB ASP 34 -4.932 -10.707 -12.859 No H/Q in entry = 4 Start of MODEL 8 1 H ILE 35 H ILE 35 -3.565 -14.440 -10.986 2 HA ILE 35 HA ILE 35 -0.964 -13.859 -12.235 3 HB ILE 35 HB ILE 35 -1.107 -14.851 -10.010 4 HG13 ILE 35 HG12 ILE 35 0.812 -15.104 -11.681 5 HG22 ILE 35 HG21 ILE 35 -2.120 -17.343 -11.487 6 HG23 ILE 35 HG22 ILE 35 -1.628 -17.293 -9.795 7 HG21 ILE 35 HG23 ILE 35 -3.046 -16.379 -10.322 8 HD12 ILE 35 HD11 ILE 35 2.088 -16.544 -10.180 9 HD13 ILE 35 HD12 ILE 35 1.157 -15.324 -9.299 10 HD11 ILE 35 HD13 ILE 35 0.596 -17.013 -9.338 11 HG12 ILE 35 HG11 ILE 35 0.305 -16.796 -11.831 No H/Q in entry = 11 Start of MODEL 8 1 H GLU 36 H GLU 36 0.033 -15.524 -13.652 2 HA GLU 36 HA GLU 36 -1.865 -16.933 -15.482 3 HB2 GLU 36 1HB GLU 36 0.404 -15.070 -16.175 4 HB3 GLU 36 2HB GLU 36 -0.496 -16.048 -17.350 5 HG2 GLU 36 1HG GLU 36 -2.563 -14.810 -16.788 6 HG3 GLU 36 2HG GLU 36 -1.673 -13.825 -15.614 No H/Q in entry = 6 Start of MODEL 8 1 H VAL 37 H VAL 37 -1.160 -18.775 -14.252 2 HA VAL 37 HA VAL 37 1.638 -19.674 -14.565 3 HB VAL 37 HB VAL 37 -0.713 -21.148 -13.374 4 HG11 VAL 37 HG11 VAL 37 2.301 -21.552 -13.192 5 HG12 VAL 37 HG12 VAL 37 1.088 -22.506 -12.312 6 HG13 VAL 37 HG13 VAL 37 1.177 -22.598 -14.076 7 HG22 VAL 37 HG21 VAL 37 -0.369 -19.144 -12.045 8 HG23 VAL 37 HG22 VAL 37 0.402 -20.475 -11.184 9 HG21 VAL 37 HG23 VAL 37 1.398 -19.342 -12.109 No H/Q in entry = 9 Start of MODEL 8 1 H ASP 38 H ASP 38 1.930 -19.919 -16.704 2 HA ASP 38 HA ASP 38 -0.035 -21.327 -18.406 3 HB2 ASP 38 1HB ASP 38 2.484 -19.807 -19.126 4 HB3 ASP 38 2HB ASP 38 1.154 -20.244 -20.219 No H/Q in entry = 4 Start of MODEL 8 1 H LEU 39 H LEU 39 1.319 -23.085 -16.664 2 HA LEU 39 HA LEU 39 3.796 -24.022 -17.393 3 HB2 LEU 39 1HB LEU 39 3.358 -25.968 -16.118 4 HB3 LEU 39 2HB LEU 39 2.638 -24.587 -15.308 5 HG LEU 39 HG LEU 39 1.085 -26.532 -17.086 6 HD11 LEU 39 HD11 LEU 39 2.087 -27.727 -15.167 7 HD13 LEU 39 HD12 LEU 39 0.329 -27.603 -14.986 8 HD12 LEU 39 HD13 LEU 39 1.395 -26.530 -14.052 9 HD22 LEU 39 HD21 LEU 39 -0.198 -24.490 -16.820 10 HD21 LEU 39 HD22 LEU 39 0.133 -24.461 -15.066 11 HD23 LEU 39 HD23 LEU 39 -0.879 -25.726 -15.780 No H/Q in entry = 11 Start of MODEL 8 1 H LEU 40 H LEU 40 4.598 -25.879 -18.314 2 HA LEU 40 HA LEU 40 3.165 -26.791 -20.774 3 HB2 LEU 40 1HB LEU 40 6.044 -25.864 -20.594 4 HB3 LEU 40 2HB LEU 40 5.173 -26.349 -22.054 5 HG LEU 40 HG LEU 40 4.580 -23.874 -20.363 6 HD11 LEU 40 HD11 LEU 40 5.912 -24.203 -23.072 7 HD13 LEU 40 HD12 LEU 40 6.701 -23.710 -21.558 8 HD12 LEU 40 HD13 LEU 40 5.487 -22.658 -22.312 9 HD21 LEU 40 HD21 LEU 40 3.414 -24.766 -23.044 10 HD23 LEU 40 HD22 LEU 40 3.091 -23.221 -22.220 11 HD22 LEU 40 HD23 LEU 40 2.533 -24.731 -21.513 No H/Q in entry = 11 Start of MODEL 8 1 H LYS 41 H LYS 41 4.228 -28.600 -21.856 2 HA LYS 41 HA LYS 41 6.119 -30.232 -20.216 3 HB2 LYS 41 1HB LYS 41 3.843 -31.240 -21.989 4 HB3 LYS 41 2HB LYS 41 5.161 -32.240 -21.363 5 HG2 LYS 41 1HG LYS 41 4.453 -31.457 -19.016 6 HG3 LYS 41 2HG LYS 41 3.043 -30.761 -19.799 7 HD2 LYS 41 1HD LYS 41 3.805 -33.710 -19.845 8 HD3 LYS 41 2HD LYS 41 2.640 -32.974 -18.734 9 HE2 LYS 41 1HE LYS 41 1.163 -32.372 -20.602 10 HE3 LYS 41 2HE LYS 41 2.334 -33.034 -21.765 11 HZ2 LYS 41 1HZ LYS 41 0.597 -34.572 -21.272 12 HZ1 LYS 41 2HZ LYS 41 0.965 -34.558 -19.664 13 HZ3 LYS 41 3HZ LYS 41 2.044 -35.164 -20.753 No H/Q in entry = 13 Start of MODEL 8 1 H ASN 42 H ASN 42 7.878 -29.197 -21.228 2 HA ASN 42 HA ASN 42 9.221 -28.413 -22.855 3 HB2 ASN 42 1HB ASN 42 9.708 -30.791 -22.764 4 HB3 ASN 42 2HB ASN 42 8.491 -31.129 -24.007 5 HD21 ASN 42 HD21 ASN 42 10.524 -32.225 -24.845 6 HD22 ASN 42 HD22 ASN 42 11.567 -31.280 -25.893 No H/Q in entry = 6 Start of MODEL 8 1 H GLY 43 H GLY 43 7.327 -26.824 -23.243 2 HA3 GLY 43 1HA GLY 43 6.683 -25.375 -24.921 3 HA2 GLY 43 2HA GLY 43 7.015 -26.573 -26.157 No H/Q in entry = 3 Start of MODEL 8 1 H GLU 44 H GLU 44 5.282 -28.699 -24.795 2 HA GLU 44 HA GLU 44 2.889 -28.080 -26.200 3 HB2 GLU 44 1HB GLU 44 3.373 -30.186 -24.059 4 HB3 GLU 44 2HB GLU 44 2.012 -30.129 -25.185 5 HG2 GLU 44 1HG GLU 44 3.569 -30.378 -27.095 6 HG3 GLU 44 2HG GLU 44 4.935 -30.507 -25.973 No H/Q in entry = 6 Start of MODEL 8 1 H ARG 45 H ARG 45 1.246 -26.757 -25.567 2 HA ARG 45 HA ARG 45 0.967 -25.777 -22.859 3 HB2 ARG 45 1HB ARG 45 -0.686 -25.531 -25.384 4 HB3 ARG 45 2HB ARG 45 -1.309 -24.995 -23.812 5 HG2 ARG 45 1HG ARG 45 0.612 -23.544 -23.456 6 HG3 ARG 45 2HG ARG 45 1.343 -24.070 -24.985 7 HD2 ARG 45 1HD ARG 45 -0.525 -23.072 -26.244 8 HD3 ARG 45 2HD ARG 45 -1.384 -22.724 -24.739 9 HE ARG 45 HE ARG 45 -0.167 -20.844 -24.418 10 HH12 ARG 45 HH11 ARG 45 2.788 -21.599 -27.104 11 HH11 ARG 45 HH12 ARG 45 1.586 -22.827 -26.794 12 HH21 ARG 45 HH21 ARG 45 1.412 -19.265 -24.833 13 HH22 ARG 45 HH22 ARG 45 2.689 -19.568 -25.987 No H/Q in entry = 13 Start of MODEL 8 1 H ILE 46 H ILE 46 0.177 -26.845 -21.206 2 HA ILE 46 HA ILE 46 -0.867 -29.485 -21.505 3 HB ILE 46 HB ILE 46 -0.744 -27.702 -19.042 4 HG13 ILE 46 HG12 ILE 46 1.447 -27.886 -19.897 5 HG22 ILE 46 HG21 ILE 46 -0.916 -30.742 -19.236 6 HG23 ILE 46 HG22 ILE 46 -0.940 -29.742 -17.764 7 HG21 ILE 46 HG23 ILE 46 -2.303 -29.698 -18.860 8 HD12 ILE 46 HD11 ILE 46 1.462 -30.355 -18.185 9 HD13 ILE 46 HD12 ILE 46 2.682 -29.087 -18.297 10 HD11 ILE 46 HD13 ILE 46 1.163 -28.758 -17.459 11 HG12 ILE 46 HG11 ILE 46 1.232 -29.565 -20.392 No H/Q in entry = 11 Start of MODEL 8 1 H GLU 47 H GLU 47 -2.891 -30.199 -21.621 2 HA GLU 47 HA GLU 47 -5.104 -28.330 -21.905 3 HB2 GLU 47 1HB GLU 47 -4.771 -30.264 -23.400 4 HB3 GLU 47 2HB GLU 47 -4.967 -31.375 -22.040 5 HG2 GLU 47 1HG GLU 47 -7.288 -30.479 -21.688 6 HG3 GLU 47 2HG GLU 47 -7.058 -29.420 -23.090 No H/Q in entry = 6 Start of MODEL 8 1 H LYS 48 H LYS 48 -4.511 -31.255 -19.894 2 HA LYS 48 HA LYS 48 -6.802 -30.625 -18.192 3 HB2 LYS 48 1HB LYS 48 -4.888 -32.987 -18.251 4 HB3 LYS 48 2HB LYS 48 -6.371 -32.866 -17.281 5 HG2 LYS 48 1HG LYS 48 -7.720 -32.638 -19.343 6 HG3 LYS 48 2HG LYS 48 -6.252 -32.762 -20.334 7 HD2 LYS 48 1HD LYS 48 -5.796 -35.009 -19.382 8 HD3 LYS 48 2HD LYS 48 -7.300 -34.902 -18.440 9 HE2 LYS 48 1HE LYS 48 -8.576 -34.641 -20.586 10 HE3 LYS 48 2HE LYS 48 -7.058 -34.836 -21.485 11 HZ1 LYS 48 1HZ LYS 48 -6.833 -36.999 -20.509 12 HZ3 LYS 48 2HZ LYS 48 -8.258 -36.876 -21.332 13 HZ2 LYS 48 3HZ LYS 48 -8.250 -36.819 -19.683 No H/Q in entry = 13 Start of MODEL 8 1 H VAL 49 H VAL 49 -5.593 -28.600 -17.503 2 HA VAL 49 HA VAL 49 -3.620 -29.006 -15.346 3 HB VAL 49 HB VAL 49 -4.957 -26.488 -16.365 4 HG12 VAL 49 HG11 VAL 49 -2.496 -26.899 -14.616 5 HG13 VAL 49 HG12 VAL 49 -3.124 -25.337 -15.203 6 HG11 VAL 49 HG13 VAL 49 -4.064 -26.299 -14.058 7 HG21 VAL 49 HG21 VAL 49 -3.577 -27.547 -18.147 8 HG22 VAL 49 HG22 VAL 49 -2.835 -26.057 -17.558 9 HG23 VAL 49 HG23 VAL 49 -2.204 -27.629 -17.022 No H/Q in entry = 9 Start of MODEL 8 1 H GLU 50 H GLU 50 -4.321 -29.415 -13.341 2 HA GLU 50 HA GLU 50 -7.091 -28.644 -12.495 3 HB2 GLU 50 1HB GLU 50 -5.265 -30.837 -11.465 4 HB3 GLU 50 2HB GLU 50 -6.877 -30.404 -10.845 5 HG2 GLU 50 1HG GLU 50 -7.900 -31.023 -12.993 6 HG3 GLU 50 2HG GLU 50 -6.308 -31.373 -13.687 No H/Q in entry = 6 Start of MODEL 8 1 H HIS 51 H HIS 51 -7.239 -27.152 -10.937 2 HA HIS 51 HA HIS 51 -4.964 -26.475 -9.196 3 HB2 HIS 51 1HB HIS 51 -4.968 -24.142 -10.030 4 HB3 HIS 51 2HB HIS 51 -4.418 -25.329 -11.216 5 HD1 HIS 51 HD1 HIS 51 -5.883 -25.779 -13.318 6 HD2 HIS 51 HD2 HIS 51 -7.491 -22.932 -10.703 7 HE1 HIS 51 HE1 HIS 51 -7.772 -24.614 -14.546 No H/Q in entry = 7 Start of MODEL 8 1 H SER 52 H SER 52 -5.525 -25.207 -7.428 2 HA SER 52 HA SER 52 -8.211 -25.609 -6.512 3 HB2 SER 52 1HB SER 52 -6.132 -25.726 -5.112 4 HB3 SER 52 2HB SER 52 -5.997 -23.959 -5.236 5 HG SER 52 HG SER 52 -8.073 -23.841 -4.271 No H/Q in entry = 5 Start of MODEL 8 1 H ASP 53 H ASP 53 -9.657 -23.979 -5.713 2 HA ASP 53 HA ASP 53 -9.928 -21.729 -7.578 3 HB2 ASP 53 1HB ASP 53 -11.809 -23.256 -7.115 4 HB3 ASP 53 2HB ASP 53 -11.802 -22.771 -5.414 No H/Q in entry = 4 Start of MODEL 8 1 H LEU 54 H LEU 54 -7.875 -20.864 -6.524 2 HA LEU 54 HA LEU 54 -6.800 -19.314 -5.303 3 HB2 LEU 54 1HB LEU 54 -8.579 -18.031 -6.619 4 HB3 LEU 54 2HB LEU 54 -9.514 -17.957 -5.129 5 HG LEU 54 HG LEU 54 -7.157 -17.068 -4.152 6 HD12 LEU 54 HD11 LEU 54 -7.106 -16.214 -7.090 7 HD11 LEU 54 HD12 LEU 54 -5.953 -17.312 -6.314 8 HD13 LEU 54 HD13 LEU 54 -6.025 -15.615 -5.816 9 HD21 LEU 54 HD21 LEU 54 -9.098 -15.348 -5.770 10 HD23 LEU 54 HD22 LEU 54 -7.966 -14.753 -4.533 11 HD22 LEU 54 HD23 LEU 54 -9.292 -15.835 -4.074 No H/Q in entry = 11 Start of MODEL 8 1 H SER 55 H SER 55 -6.622 -21.023 -3.602 2 HA SER 55 HA SER 55 -8.417 -20.820 -1.289 3 HB2 SER 55 1HB SER 55 -7.678 -23.008 -2.143 4 HB3 SER 55 2HB SER 55 -5.998 -22.607 -1.723 5 HG SER 55 HG SER 55 -7.043 -23.785 -0.076 No H/Q in entry = 5 Start of MODEL 8 1 H PHE 56 H PHE 56 -7.927 -19.929 0.664 2 HA PHE 56 HA PHE 56 -5.678 -18.020 0.681 3 HB2 PHE 56 1HB PHE 56 -8.131 -18.238 2.456 4 HB3 PHE 56 2HB PHE 56 -6.994 -16.900 2.365 5 HD1 PHE 56 HD1 PHE 56 -7.119 -15.264 0.562 6 HD2 PHE 56 HD2 PHE 56 -9.761 -18.668 0.642 7 HE1 PHE 56 HE1 PHE 56 -8.528 -14.228 -1.215 8 HE2 PHE 56 HE2 PHE 56 -11.157 -17.628 -1.120 9 HZ PHE 56 HZ PHE 56 -10.544 -15.408 -2.045 No H/Q in entry = 9 Start of MODEL 8 1 H SER 57 H SER 57 -3.843 -18.520 1.875 2 HA SER 57 HA SER 57 -3.812 -20.626 3.854 3 HB2 SER 57 1HB SER 57 -1.750 -18.438 3.374 4 HB3 SER 57 2HB SER 57 -1.550 -19.893 4.357 5 HG SER 57 HG SER 57 -0.704 -20.178 2.286 No H/Q in entry = 5 Start of MODEL 8 1 H LYS 58 H LYS 58 -3.785 -17.036 4.015 2 HA LYS 58 HA LYS 58 -5.314 -17.084 6.493 3 HB2 LYS 58 1HB LYS 58 -3.724 -15.640 7.723 4 HB3 LYS 58 2HB LYS 58 -3.163 -17.294 7.493 5 HG2 LYS 58 1HG LYS 58 -1.626 -16.628 5.735 6 HG3 LYS 58 2HG LYS 58 -2.244 -14.965 5.747 7 HD2 LYS 58 1HD LYS 58 -1.526 -14.740 8.129 8 HD3 LYS 58 2HD LYS 58 -0.854 -16.383 8.057 9 HE2 LYS 58 1HE LYS 58 0.680 -15.682 6.246 10 HE3 LYS 58 2HE LYS 58 0.012 -14.037 6.303 11 HZ3 LYS 58 1HZ LYS 58 0.814 -13.813 8.503 12 HZ2 LYS 58 2HZ LYS 58 2.061 -14.305 7.544 13 HZ1 LYS 58 3HZ LYS 58 1.326 -15.379 8.556 No H/Q in entry = 13 Start of MODEL 8 1 H ASP 59 H ASP 59 -6.358 -16.356 4.236 2 HA ASP 59 HA ASP 59 -7.523 -14.724 3.190 3 HB2 ASP 59 1HB ASP 59 -7.275 -13.392 5.911 4 HB3 ASP 59 2HB ASP 59 -8.495 -13.048 4.678 No H/Q in entry = 4 Start of MODEL 8 1 H GLY 60 H GLY 60 -5.406 -14.467 1.948 2 HA3 GLY 60 1HA GLY 60 -4.790 -12.353 0.664 3 HA2 GLY 60 2HA GLY 60 -4.216 -11.727 2.215 No H/Q in entry = 3 Start of MODEL 8 1 H SER 61 H SER 61 -4.020 -14.737 0.308 2 HA SER 61 HA SER 61 -1.232 -14.974 -0.004 3 HB2 SER 61 1HB SER 61 -0.928 -16.839 1.774 4 HB3 SER 61 2HB SER 61 -0.844 -15.169 2.330 5 HG SER 61 HG SER 61 -2.210 -16.314 3.677 No H/Q in entry = 5 Start of MODEL 8 1 H PHE 62 H PHE 62 -2.223 -15.637 -1.993 2 HA PHE 62 HA PHE 62 -4.266 -17.702 -1.896 3 HB2 PHE 62 1HB PHE 62 -3.151 -16.411 -4.375 4 HB3 PHE 62 2HB PHE 62 -4.733 -17.134 -4.107 5 HD1 PHE 62 HD1 PHE 62 -5.684 -15.854 -1.612 6 HD2 PHE 62 HD2 PHE 62 -3.468 -14.164 -4.904 7 HE1 PHE 62 HE1 PHE 62 -6.254 -13.565 -0.840 8 HE2 PHE 62 HE2 PHE 62 -4.043 -11.886 -4.116 9 HZ PHE 62 HZ PHE 62 -5.423 -11.586 -2.073 No H/Q in entry = 9 Start of MODEL 8 1 H TYR 63 H TYR 63 -3.389 -19.717 -1.467 2 HA TYR 63 HA TYR 63 -1.094 -20.637 -3.055 3 HB2 TYR 63 1HB TYR 63 -0.788 -22.333 -1.572 4 HB3 TYR 63 2HB TYR 63 -1.083 -20.877 -0.640 5 HD1 TYR 63 HD1 TYR 63 -3.381 -20.624 0.516 6 HD2 TYR 63 HD2 TYR 63 -2.187 -24.264 -1.430 7 HE1 TYR 63 HE1 TYR 63 -5.007 -21.908 1.898 8 HE2 TYR 63 HE2 TYR 63 -3.852 -25.530 -0.111 9 HH TYR 63 HH TYR 63 -5.478 -25.428 1.514 No H/Q in entry = 9 Start of MODEL 8 1 H LEU 64 H LEU 64 -1.636 -21.220 -5.053 2 HA LEU 64 HA LEU 64 -3.818 -23.194 -5.457 3 HB2 LEU 64 1HB LEU 64 -2.132 -21.607 -7.377 4 HB3 LEU 64 2HB LEU 64 -3.204 -22.934 -7.839 5 HG LEU 64 HG LEU 64 -5.089 -21.702 -6.555 6 HD11 LEU 64 HD11 LEU 64 -3.040 -19.477 -6.877 7 HD13 LEU 64 HD12 LEU 64 -3.860 -19.954 -5.372 8 HD12 LEU 64 HD13 LEU 64 -4.773 -19.184 -6.668 9 HD21 LEU 64 HD21 LEU 64 -4.971 -21.931 -9.014 10 HD23 LEU 64 HD22 LEU 64 -3.945 -20.477 -9.075 11 HD22 LEU 64 HD23 LEU 64 -5.628 -20.361 -8.524 No H/Q in entry = 11 Start of MODEL 8 1 H LEU 65 H LEU 65 -3.326 -25.092 -6.764 2 HA LEU 65 HA LEU 65 -0.592 -26.246 -6.483 3 HB2 LEU 65 1HB LEU 65 -2.063 -27.018 -4.604 4 HB3 LEU 65 2HB LEU 65 -3.274 -27.517 -5.781 5 HG LEU 65 HG LEU 65 -1.422 -29.072 -6.765 6 HD12 LEU 65 HD11 LEU 65 -0.226 -28.543 -4.014 7 HD11 LEU 65 HD12 LEU 65 0.506 -28.067 -5.570 8 HD13 LEU 65 HD13 LEU 65 0.293 -29.776 -5.166 9 HD22 LEU 65 HD21 LEU 65 -1.944 -30.829 -5.145 10 HD21 LEU 65 HD22 LEU 65 -3.391 -29.875 -5.505 11 HD23 LEU 65 HD23 LEU 65 -2.521 -29.617 -3.979 No H/Q in entry = 11 Start of MODEL 8 1 H TYR 66 H TYR 66 -0.237 -25.905 -8.738 2 HA TYR 66 HA TYR 66 -2.302 -26.743 -10.660 3 HB2 TYR 66 1HB TYR 66 0.435 -25.490 -10.937 4 HB3 TYR 66 2HB TYR 66 -0.553 -25.990 -12.303 5 HD1 TYR 66 HD1 TYR 66 -2.562 -24.797 -12.929 6 HD2 TYR 66 HD2 TYR 66 -0.248 -23.523 -9.526 7 HE1 TYR 66 HE1 TYR 66 -3.666 -22.583 -13.013 8 HE2 TYR 66 HE2 TYR 66 -1.342 -21.302 -9.627 9 HH TYR 66 HH TYR 66 -2.766 -19.914 -10.810 No H/Q in entry = 9 Start of MODEL 8 1 H TYR 67 H TYR 67 -2.390 -29.010 -10.125 2 HA TYR 67 HA TYR 67 0.059 -30.603 -10.507 3 HB2 TYR 67 1HB TYR 67 -0.980 -32.348 -9.398 4 HB3 TYR 67 2HB TYR 67 -1.067 -30.852 -8.480 5 HD1 TYR 67 HD1 TYR 67 -2.937 -33.609 -9.985 6 HD2 TYR 67 HD2 TYR 67 -3.297 -29.784 -8.067 7 HE1 TYR 67 HE1 TYR 67 -5.362 -33.977 -9.715 8 HE2 TYR 67 HE2 TYR 67 -5.738 -30.124 -7.833 9 HH TYR 67 HH TYR 67 -7.388 -33.016 -9.140 No H/Q in entry = 9 Start of MODEL 8 1 H THR 68 H THR 68 0.386 -30.821 -12.714 2 HA THR 68 HA THR 68 -1.769 -31.945 -14.408 3 HB THR 68 HB THR 68 -0.477 -30.182 -15.374 4 HG1 THR 68 HG1 THR 68 0.240 -31.441 -17.202 5 HG23 THR 68 HG21 THR 68 1.682 -30.421 -14.173 6 HG22 THR 68 HG22 THR 68 1.926 -30.465 -15.916 7 HG21 THR 68 HG23 THR 68 1.969 -31.971 -15.006 No H/Q in entry = 7 Start of MODEL 8 1 H GLU 69 H GLU 69 -1.556 -34.029 -15.401 2 HA GLU 69 HA GLU 69 0.151 -35.980 -14.021 3 HB2 GLU 69 1HB GLU 69 -2.228 -36.446 -14.603 4 HB3 GLU 69 2HB GLU 69 -1.805 -36.390 -16.313 5 HG2 GLU 69 1HG GLU 69 -0.192 -38.265 -15.965 6 HG3 GLU 69 2HG GLU 69 -0.549 -38.250 -14.232 No H/Q in entry = 6 Start of MODEL 8 1 H PHE 70 H PHE 70 2.201 -35.044 -14.687 2 HA PHE 70 HA PHE 70 2.909 -35.167 -17.540 3 HB2 PHE 70 1HB PHE 70 4.791 -34.033 -17.060 4 HB3 PHE 70 2HB PHE 70 3.693 -33.372 -15.863 5 HD1 PHE 70 HD1 PHE 70 6.964 -34.066 -16.266 6 HD2 PHE 70 HD2 PHE 70 3.801 -35.208 -13.587 7 HE1 PHE 70 HE1 PHE 70 8.577 -34.170 -14.403 8 HE2 PHE 70 HE2 PHE 70 5.460 -35.545 -11.780 9 HZ PHE 70 HZ PHE 70 7.828 -34.929 -12.148 No H/Q in entry = 9 Start of MODEL 8 1 H THR 71 H THR 71 4.275 -36.677 -18.480 2 HA THR 71 HA THR 71 5.030 -39.069 -16.905 3 HB THR 71 HB THR 71 5.252 -38.523 -19.865 4 HG1 THR 71 HG1 THR 71 3.402 -39.813 -19.921 5 HG22 THR 71 HG21 THR 71 5.351 -41.125 -18.262 6 HG21 THR 71 HG22 THR 71 6.789 -40.324 -18.920 7 HG23 THR 71 HG23 THR 71 5.543 -40.944 -20.014 No H/Q in entry = 7 Start of MODEL 8 1 HA PRO 72 HA PRO 72 9.024 -36.550 -16.776 2 HB2 PRO 72 1HB PRO 72 10.237 -38.070 -14.786 3 HB3 PRO 72 2HB PRO 72 9.211 -36.637 -14.525 4 HG2 PRO 72 1HG PRO 72 8.356 -39.534 -14.467 5 HG3 PRO 72 2HG PRO 72 8.014 -38.251 -13.260 6 HD2 PRO 72 1HD PRO 72 6.137 -38.813 -15.063 7 HD3 PRO 72 2HD PRO 72 6.547 -37.122 -14.782 No H/Q in entry = 7 Start of MODEL 8 1 H THR 73 H THR 73 9.735 -37.141 -18.743 2 HA THR 73 HA THR 73 10.882 -39.854 -19.189 3 HB THR 73 HB THR 73 9.901 -37.789 -21.200 4 HG1 THR 73 HG1 THR 73 8.713 -40.147 -20.169 5 HG21 THR 73 HG21 THR 73 10.733 -40.705 -21.530 6 HG23 THR 73 HG22 THR 73 11.578 -39.287 -22.196 7 HG22 THR 73 HG23 THR 73 9.966 -39.709 -22.784 No H/Q in entry = 7 Start of MODEL 8 1 H GLU 74 H GLU 74 12.887 -39.910 -20.307 2 HA GLU 74 HA GLU 74 14.788 -38.026 -19.302 3 HB2 GLU 74 1HB GLU 74 15.139 -40.206 -21.407 4 HB3 GLU 74 2HB GLU 74 16.430 -39.410 -20.494 5 HG2 GLU 74 1HG GLU 74 14.250 -41.232 -19.368 6 HG3 GLU 74 2HG GLU 74 15.965 -41.599 -19.535 No H/Q in entry = 6 Start of MODEL 8 1 H LYS 75 H LYS 75 15.984 -36.479 -20.337 2 HA LYS 75 HA LYS 75 16.687 -34.966 -21.796 3 HB2 LYS 75 1HB LYS 75 16.583 -36.811 -23.546 4 HB3 LYS 75 2HB LYS 75 15.015 -36.132 -24.042 5 HG2 LYS 75 1HG LYS 75 16.216 -33.881 -24.274 6 HG3 LYS 75 2HG LYS 75 17.735 -34.768 -24.087 7 HD2 LYS 75 1HD LYS 75 15.611 -35.231 -26.238 8 HD3 LYS 75 2HD LYS 75 17.123 -34.335 -26.450 9 HE2 LYS 75 1HE LYS 75 18.410 -36.416 -25.928 10 HE3 LYS 75 2HE LYS 75 16.879 -37.311 -25.819 11 HZ1 LYS 75 1HZ LYS 75 17.854 -35.896 -28.191 12 HZ3 LYS 75 2HZ LYS 75 16.443 -36.741 -28.078 13 HZ2 LYS 75 3HZ LYS 75 17.887 -37.526 -27.955 No H/Q in entry = 13 Start of MODEL 8 1 H ASP 76 H ASP 76 13.204 -35.716 -22.190 2 HA ASP 76 HA ASP 76 12.373 -33.106 -22.917 3 HB2 ASP 76 1HB ASP 76 11.096 -35.264 -23.182 4 HB3 ASP 76 2HB ASP 76 10.741 -35.221 -21.450 No H/Q in entry = 4 Start of MODEL 8 1 H GLU 77 H GLU 77 11.924 -31.286 -21.691 2 HA GLU 77 HA GLU 77 12.596 -31.467 -18.793 3 HB2 GLU 77 1HB GLU 77 13.599 -29.271 -18.994 4 HB3 GLU 77 2HB GLU 77 14.456 -30.537 -19.871 5 HG2 GLU 77 1HG GLU 77 12.596 -28.526 -21.224 6 HG3 GLU 77 2HG GLU 77 14.326 -28.292 -20.998 No H/Q in entry = 6 Start of MODEL 8 1 H TYR 78 H TYR 78 11.098 -30.916 -17.486 2 HA TYR 78 HA TYR 78 8.645 -29.592 -18.432 3 HB2 TYR 78 1HB TYR 78 9.337 -31.066 -15.863 4 HB3 TYR 78 2HB TYR 78 7.749 -30.459 -16.324 5 HD1 TYR 78 HD1 TYR 78 6.522 -31.426 -18.210 6 HD2 TYR 78 HD2 TYR 78 10.289 -33.079 -16.963 7 HE1 TYR 78 HE1 TYR 78 6.157 -33.378 -19.703 8 HE2 TYR 78 HE2 TYR 78 9.973 -34.976 -18.518 9 HH TYR 78 HH TYR 78 7.160 -35.189 -20.720 No H/Q in entry = 9 Start of MODEL 8 1 H ALA 79 H ALA 79 8.050 -27.561 -17.769 2 HA ALA 79 HA ALA 79 9.339 -26.357 -15.437 3 HB1 ALA 79 1HB ALA 79 10.914 -25.830 -17.269 4 HB3 ALA 79 2HB ALA 79 9.583 -25.135 -18.221 5 HB2 ALA 79 3HB ALA 79 10.085 -24.367 -16.699 No H/Q in entry = 5 Start of MODEL 8 1 H CYS 80 H CYS 80 8.065 -25.012 -14.382 2 HA CYS 80 HA CYS 80 5.325 -24.555 -15.346 3 HB2 CYS 80 1HB CYS 80 5.862 -25.396 -13.061 4 HB3 CYS 80 2HB CYS 80 6.621 -23.847 -12.693 No H/Q in entry = 4 Start of MODEL 8 1 H ARG 81 H ARG 81 4.828 -22.698 -16.392 2 HA ARG 81 HA ARG 81 6.905 -20.639 -16.739 3 HB2 ARG 81 1HB ARG 81 5.943 -21.861 -18.653 4 HB3 ARG 81 2HB ARG 81 4.352 -21.193 -18.267 5 HG2 ARG 81 1HG ARG 81 5.236 -18.895 -18.610 6 HG3 ARG 81 2HG ARG 81 6.840 -19.580 -18.941 7 HD2 ARG 81 1HD ARG 81 5.985 -20.772 -20.885 8 HD3 ARG 81 2HD ARG 81 4.341 -20.207 -20.576 9 HE ARG 81 HE ARG 81 6.554 -18.772 -21.816 10 HH12 ARG 81 HH11 ARG 81 3.176 -16.743 -20.823 11 HH11 ARG 81 HH12 ARG 81 3.492 -18.275 -20.059 12 HH21 ARG 81 HH21 ARG 81 6.115 -16.761 -22.780 13 HH22 ARG 81 HH22 ARG 81 4.674 -15.871 -22.351 No H/Q in entry = 13 Start of MODEL 8 1 H VAL 82 H VAL 82 6.593 -19.546 -14.702 2 HA VAL 82 HA VAL 82 3.870 -18.721 -13.960 3 HB VAL 82 HB VAL 82 6.483 -18.407 -12.438 4 HG13 VAL 82 HG11 VAL 82 4.994 -18.117 -10.513 5 HG11 VAL 82 HG12 VAL 82 4.663 -16.863 -11.721 6 HG12 VAL 82 HG13 VAL 82 3.569 -18.255 -11.563 7 HG22 VAL 82 HG21 VAL 82 6.024 -20.792 -12.789 8 HG23 VAL 82 HG22 VAL 82 5.642 -20.346 -11.124 9 HG21 VAL 82 HG23 VAL 82 4.332 -20.557 -12.300 No H/Q in entry = 9 Start of MODEL 8 1 H ASN 83 H ASN 83 3.287 -17.115 -15.380 2 HA ASN 83 HA ASN 83 4.835 -14.564 -15.362 3 HB2 ASN 83 1HB ASN 83 2.425 -15.505 -16.963 4 HB3 ASN 83 2HB ASN 83 3.006 -13.836 -16.940 5 HD21 ASN 83 HD21 ASN 83 4.666 -13.279 -18.323 6 HD22 ASN 83 HD22 ASN 83 5.568 -14.428 -19.284 No H/Q in entry = 6 Start of MODEL 8 1 H HIS 84 H HIS 84 3.945 -12.744 -14.432 2 HA HIS 84 HA HIS 84 1.399 -12.724 -13.051 3 HB2 HIS 84 1HB HIS 84 2.869 -14.055 -11.486 4 HB3 HIS 84 2HB HIS 84 4.013 -12.719 -11.471 5 HD2 HIS 84 HD2 HIS 84 0.078 -12.410 -10.914 6 HE1 HIS 84 HE1 HIS 84 2.129 -11.039 -7.490 7 HE2 HIS 84 HE2 HIS 84 -0.181 -11.323 -8.558 No H/Q in entry = 7 Start of MODEL 8 1 H VAL 85 H VAL 85 1.040 -10.516 -12.128 2 HA VAL 85 HA VAL 85 1.898 -8.593 -13.982 3 HB VAL 85 HB VAL 85 -0.237 -8.631 -12.631 4 HG13 VAL 85 HG11 VAL 85 -0.322 -7.492 -10.504 5 HG11 VAL 85 HG12 VAL 85 0.839 -8.829 -10.361 6 HG12 VAL 85 HG13 VAL 85 1.411 -7.156 -10.525 7 HG21 VAL 85 HG21 VAL 85 0.397 -6.763 -14.098 8 HG22 VAL 85 HG22 VAL 85 -0.468 -6.191 -12.659 9 HG23 VAL 85 HG23 VAL 85 1.292 -5.998 -12.768 No H/Q in entry = 9 Start of MODEL 8 1 H THR 86 H THR 86 3.207 -9.409 -10.782 2 HA THR 86 HA THR 86 4.895 -7.103 -10.511 3 HB THR 86 HB THR 86 6.029 -8.393 -8.784 4 HG1 THR 86 HG1 THR 86 4.383 -10.555 -9.593 5 HG22 THR 86 HG21 THR 86 3.008 -8.831 -8.644 6 HG21 THR 86 HG22 THR 86 3.841 -7.307 -8.293 7 HG23 THR 86 HG23 THR 86 4.143 -8.738 -7.282 No H/Q in entry = 7 Start of MODEL 8 1 H LEU 87 H LEU 87 5.246 -10.254 -12.117 2 HA LEU 87 HA LEU 87 8.046 -9.753 -12.876 3 HB2 LEU 87 1HB LEU 87 6.133 -11.904 -13.829 4 HB3 LEU 87 2HB LEU 87 7.888 -11.907 -13.967 5 HG LEU 87 HG LEU 87 6.338 -12.052 -11.329 6 HD11 LEU 87 HD11 LEU 87 7.780 -14.203 -12.908 7 HD13 LEU 87 HD12 LEU 87 6.024 -14.051 -12.689 8 HD12 LEU 87 HD13 LEU 87 7.060 -14.400 -11.295 9 HD23 LEU 87 HD21 LEU 87 8.523 -12.652 -10.347 10 HD22 LEU 87 HD22 LEU 87 8.558 -11.018 -11.021 11 HD21 LEU 87 HD23 LEU 87 9.319 -12.361 -11.909 No H/Q in entry = 11 Start of MODEL 8 1 H SER 88 H SER 88 8.546 -10.003 -15.242 2 HA SER 88 HA SER 88 6.539 -8.709 -17.050 3 HB2 SER 88 1HB SER 88 8.278 -7.078 -16.461 4 HB3 SER 88 2HB SER 88 9.548 -8.228 -16.928 5 HG SER 88 HG SER 88 9.023 -6.743 -18.594 No H/Q in entry = 5 Start of MODEL 8 1 H GLN 89 H GLN 89 9.463 -10.729 -16.718 2 HA GLN 89 HA GLN 89 9.052 -11.979 -19.335 3 HB2 GLN 89 1HB GLN 89 11.159 -12.339 -17.165 4 HB3 GLN 89 2HB GLN 89 11.194 -13.135 -18.746 5 HG2 GLN 89 1HG GLN 89 11.233 -10.925 -19.868 6 HG3 GLN 89 2HG GLN 89 11.268 -10.115 -18.292 7 HE21 GLN 89 HE21 GLN 89 13.271 -10.024 -20.476 8 HE22 GLN 89 HE22 GLN 89 14.770 -10.572 -19.758 No H/Q in entry = 8 Start of MODEL 8 1 HA PRO 90 HA PRO 90 7.066 -15.610 -17.529 2 HB2 PRO 90 1HB PRO 90 7.823 -17.573 -19.288 3 HB3 PRO 90 2HB PRO 90 6.644 -16.298 -19.705 4 HG2 PRO 90 1HG PRO 90 9.591 -16.356 -20.359 5 HG3 PRO 90 2HG PRO 90 8.225 -15.998 -21.454 6 HD2 PRO 90 1HD PRO 90 9.669 -14.027 -20.274 7 HD3 PRO 90 2HD PRO 90 7.903 -13.858 -20.491 No H/Q in entry = 7 Start of MODEL 8 1 H LYS 91 H LYS 91 7.789 -16.531 -15.677 2 HA LYS 91 HA LYS 91 10.641 -17.005 -15.269 3 HB2 LYS 91 1HB LYS 91 9.144 -16.061 -13.500 4 HB3 LYS 91 2HB LYS 91 8.249 -17.581 -13.498 5 HG2 LYS 91 1HG LYS 91 9.703 -17.724 -11.667 6 HG3 LYS 91 2HG LYS 91 10.442 -18.758 -12.899 7 HD2 LYS 91 1HD LYS 91 12.036 -16.945 -13.471 8 HD3 LYS 91 2HD LYS 91 11.240 -15.871 -12.299 9 HE2 LYS 91 1HE LYS 91 11.831 -17.468 -10.473 10 HE3 LYS 91 2HE LYS 91 12.662 -18.493 -11.658 11 HZ2 LYS 91 1HZ LYS 91 13.350 -15.717 -11.006 12 HZ1 LYS 91 2HZ LYS 91 14.122 -16.659 -12.117 13 HZ3 LYS 91 3HZ LYS 91 14.172 -17.060 -10.518 No H/Q in entry = 13 Start of MODEL 8 1 H ILE 92 H ILE 92 11.411 -18.761 -16.367 2 HA ILE 92 HA ILE 92 9.819 -21.200 -16.744 3 HB ILE 92 HB ILE 92 12.719 -20.601 -17.441 4 HG13 ILE 92 HG12 ILE 92 11.946 -20.177 -19.736 5 HG22 ILE 92 HG21 ILE 92 12.447 -22.433 -19.071 6 HG23 ILE 92 HG22 ILE 92 12.205 -23.005 -17.417 7 HG21 ILE 92 HG23 ILE 92 10.806 -22.738 -18.469 8 HD13 ILE 92 HD11 ILE 92 9.638 -19.501 -20.177 9 HD11 ILE 92 HD12 ILE 92 9.676 -21.206 -19.707 10 HD12 ILE 92 HD13 ILE 92 9.146 -19.965 -18.545 11 HG12 ILE 92 HG11 ILE 92 11.412 -18.953 -18.594 No H/Q in entry = 11 Start of MODEL 8 1 H VAL 93 H VAL 93 9.437 -21.743 -14.543 2 HA VAL 93 HA VAL 93 11.573 -22.004 -12.641 3 HB VAL 93 HB VAL 93 8.778 -23.207 -12.539 4 HG11 VAL 93 HG11 VAL 93 10.875 -22.605 -10.410 5 HG12 VAL 93 HG12 VAL 93 9.200 -23.057 -10.074 6 HG13 VAL 93 HG13 VAL 93 10.276 -24.209 -10.882 7 HG21 VAL 93 HG21 VAL 93 9.781 -20.537 -11.489 8 HG22 VAL 93 HG22 VAL 93 8.622 -20.755 -12.819 9 HG23 VAL 93 HG23 VAL 93 8.179 -21.248 -11.183 No H/Q in entry = 9 Start of MODEL 8 1 H LYS 94 H LYS 94 12.974 -23.652 -12.441 2 HA LYS 94 HA LYS 94 12.750 -25.945 -14.262 3 HB2 LYS 94 1HB LYS 94 14.965 -25.011 -12.400 4 HB3 LYS 94 2HB LYS 94 15.039 -26.411 -13.491 5 HG2 LYS 94 1HG LYS 94 14.636 -24.923 -15.443 6 HG3 LYS 94 2HG LYS 94 14.519 -23.529 -14.362 7 HD2 LYS 94 1HD LYS 94 16.692 -23.508 -15.338 8 HD3 LYS 94 2HD LYS 94 16.867 -23.900 -13.620 9 HE2 LYS 94 1HE LYS 94 17.155 -26.302 -14.198 10 HE3 LYS 94 2HE LYS 94 16.901 -25.921 -15.915 11 HZ3 LYS 94 1HZ LYS 94 18.871 -24.597 -15.842 12 HZ2 LYS 94 2HZ LYS 94 19.206 -26.123 -15.317 13 HZ1 LYS 94 3HZ LYS 94 19.072 -24.891 -14.232 No H/Q in entry = 13 Start of MODEL 8 1 H TRP 95 H TRP 95 11.265 -27.366 -13.490 2 HA TRP 95 HA TRP 95 10.738 -28.350 -10.961 3 HB2 TRP 95 1HB TRP 95 9.492 -29.125 -12.882 4 HB3 TRP 95 2HB TRP 95 10.953 -29.707 -13.655 5 HD1 TRP 95 HD1 TRP 95 9.433 -30.558 -10.181 6 HE1 TRP 95 HE1 TRP 95 9.569 -33.104 -9.849 7 HE3 TRP 95 HE3 TRP 95 11.370 -31.843 -14.713 8 HZ2 TRP 95 HZ2 TRP 95 10.486 -35.394 -11.339 9 HZ3 TRP 95 HZ3 TRP 95 11.850 -34.228 -15.250 10 HH2 TRP 95 HH2 TRP 95 11.452 -35.994 -13.551 No H/Q in entry = 10 Start of MODEL 8 1 H ASP 96 H ASP 96 12.127 -28.980 -9.433 2 HA ASP 96 HA ASP 96 14.748 -30.121 -10.082 3 HB2 ASP 96 1HB ASP 96 14.390 -28.440 -8.274 4 HB3 ASP 96 2HB ASP 96 13.481 -29.653 -7.360 No H/Q in entry = 4 Start of MODEL 8 1 H ARG 97 H ARG 97 14.723 -32.174 -10.731 2 HA ARG 97 HA ARG 97 12.767 -34.121 -9.807 3 HB2 ARG 97 1HB ARG 97 13.613 -35.558 -11.419 4 HB3 ARG 97 2HB ARG 97 13.603 -33.958 -12.163 5 HG2 ARG 97 1HG ARG 97 16.066 -35.417 -11.073 6 HG3 ARG 97 2HG ARG 97 15.557 -35.305 -12.756 7 HD2 ARG 97 1HD ARG 97 15.742 -32.793 -12.585 8 HD3 ARG 97 2HD ARG 97 16.546 -33.025 -11.012 9 HE ARG 97 HE ARG 97 17.909 -34.691 -12.735 10 HH12 ARG 97 HH11 ARG 97 18.676 -30.780 -13.526 11 HH11 ARG 97 HH12 ARG 97 17.242 -31.200 -12.620 12 HH21 ARG 97 HH21 ARG 97 19.777 -34.115 -13.905 13 HH22 ARG 97 HH22 ARG 97 20.124 -32.437 -14.249 No H/Q in entry = 13 Start of MODEL 8 1 H ASP 98 H ASP 98 15.997 -33.153 -8.866 2 HA ASP 98 HA ASP 98 16.998 -35.622 -7.932 3 HB2 ASP 98 1HB ASP 98 18.343 -33.607 -8.437 4 HB3 ASP 98 2HB ASP 98 17.648 -32.785 -7.034 No H/Q in entry = 4 Start of MODEL 8 1 H MET 99 H MET 99 15.244 -32.981 -6.237 2 HA MET 99 HA MET 99 14.217 -34.870 -4.252 3 HB2 MET 99 1HB MET 99 15.005 -33.421 -2.349 4 HB3 MET 99 2HB MET 99 16.255 -34.352 -3.172 5 HG2 MET 99 1HG MET 99 17.130 -32.201 -2.694 6 HG3 MET 99 2HG MET 99 16.961 -32.344 -4.437 7 HE3 MET 99 1HE MET 99 16.526 -28.549 -4.009 8 HE1 MET 99 2HE MET 99 17.697 -29.682 -3.291 9 HE2 MET 99 3HE MET 99 17.228 -29.852 -4.996 No H/Q in entry = 9 Start of MODEL 9 1 H1 MET 0 2H MET 0 -0.293 -1.020 -2.629 2 H2 MET 0 3H MET 0 -1.206 -2.291 -2.112 3 H3 MET 0 1H MET 0 -1.699 -0.745 -1.818 4 HA MET 0 HA MET 0 0.163 -0.337 -0.427 5 HB2 MET 0 1HB MET 0 -1.411 -2.815 0.389 6 HB3 MET 0 2HB MET 0 -0.441 -1.796 1.466 7 HG2 MET 0 1HG MET 0 -1.864 0.165 0.834 8 HG3 MET 0 2HG MET 0 -2.898 -0.925 -0.101 9 HE1 MET 0 1HE MET 0 -4.079 1.037 2.037 10 HE2 MET 0 2HE MET 0 -5.060 -0.132 1.123 11 HE3 MET 0 3HE MET 0 -5.212 -0.034 2.891 No H/Q in entry = 11 Start of MODEL 9 1 H ILE 1 H ILE 1 0.006 -3.808 -1.373 2 HA ILE 1 HA ILE 1 2.889 -3.911 -1.712 3 HB ILE 1 HB ILE 1 2.795 -4.233 0.659 4 HG13 ILE 1 HG12 ILE 1 4.376 -5.564 -0.760 5 HG23 ILE 1 HG21 ILE 1 1.540 -5.825 1.847 6 HG21 ILE 1 HG22 ILE 1 0.367 -5.132 0.730 7 HG22 ILE 1 HG23 ILE 1 1.080 -6.723 0.393 8 HD11 ILE 1 HD11 ILE 1 4.560 -5.593 1.729 9 HD12 ILE 1 HD12 ILE 1 3.526 -7.041 1.768 10 HD13 ILE 1 HD13 ILE 1 5.101 -7.100 0.966 11 HG12 ILE 1 HG11 ILE 1 3.257 -6.932 -0.681 No H/Q in entry = 11 Start of MODEL 9 1 H GLN 2 H GLN 2 2.950 -4.749 -3.691 2 HA GLN 2 HA GLN 2 1.019 -6.791 -4.568 3 HB2 GLN 2 1HB GLN 2 1.748 -4.768 -5.952 4 HB3 GLN 2 2HB GLN 2 3.309 -5.563 -6.133 5 HG2 GLN 2 1HG GLN 2 2.156 -6.227 -8.048 6 HG3 GLN 2 2HG GLN 2 1.904 -7.620 -6.989 7 HE21 GLN 2 HE21 GLN 2 0.453 -4.944 -8.715 8 HE22 GLN 2 HE22 GLN 2 -1.215 -5.302 -8.330 No H/Q in entry = 8 Start of MODEL 9 1 H ARG 3 H ARG 3 1.684 -8.514 -3.169 2 HA ARG 3 HA ARG 3 4.344 -9.382 -2.783 3 HB2 ARG 3 1HB ARG 3 1.702 -10.869 -2.596 4 HB3 ARG 3 2HB ARG 3 3.252 -11.503 -2.007 5 HG2 ARG 3 1HG ARG 3 3.433 -9.603 -0.429 6 HG3 ARG 3 2HG ARG 3 1.920 -8.928 -1.060 7 HD2 ARG 3 1HD ARG 3 1.411 -10.023 0.988 8 HD3 ARG 3 2HD ARG 3 0.709 -10.979 -0.325 9 HE ARG 3 HE ARG 3 3.274 -12.027 0.218 10 HH12 ARG 3 HH11 ARG 3 0.396 -13.129 2.874 11 HH11 ARG 3 HH12 ARG 3 0.096 -11.774 1.816 12 HH21 ARG 3 HH21 ARG 3 3.602 -13.835 1.576 13 HH22 ARG 3 HH22 ARG 3 2.367 -14.318 2.715 No H/Q in entry = 13 Start of MODEL 9 1 H THR 4 H THR 4 5.523 -11.108 -3.641 2 HA THR 4 HA THR 4 4.992 -11.783 -6.454 3 HB THR 4 HB THR 4 7.384 -12.468 -6.404 4 HG1 THR 4 HG1 THR 4 8.561 -11.907 -4.561 5 HG22 THR 4 HG21 THR 4 6.919 -9.656 -5.328 6 HG21 THR 4 HG22 THR 4 6.675 -10.147 -7.019 7 HG23 THR 4 HG23 THR 4 8.290 -10.233 -6.292 No H/Q in entry = 7 Start of MODEL 9 1 HA PRO 5 HA PRO 5 4.052 -16.017 -5.442 2 HB2 PRO 5 1HB PRO 5 4.741 -17.387 -7.703 3 HB3 PRO 5 2HB PRO 5 3.407 -16.206 -7.644 4 HG2 PRO 5 1HG PRO 5 6.247 -15.722 -8.580 5 HG3 PRO 5 2HG PRO 5 4.728 -15.298 -9.422 6 HD2 PRO 5 1HD PRO 5 6.076 -13.475 -7.936 7 HD3 PRO 5 2HD PRO 5 4.292 -13.520 -7.921 No H/Q in entry = 7 Start of MODEL 9 1 H LYS 6 H LYS 6 4.873 -17.772 -4.450 2 HA LYS 6 HA LYS 6 7.790 -18.030 -4.117 3 HB2 LYS 6 1HB LYS 6 6.259 -18.076 -2.179 4 HB3 LYS 6 2HB LYS 6 5.475 -19.522 -2.840 5 HG2 LYS 6 1HG LYS 6 7.752 -20.669 -2.783 6 HG3 LYS 6 2HG LYS 6 8.379 -19.254 -1.930 7 HD2 LYS 6 1HD LYS 6 6.117 -21.089 -1.006 8 HD3 LYS 6 2HD LYS 6 7.791 -21.132 -0.434 9 HE2 LYS 6 1HE LYS 6 7.538 -18.813 0.460 10 HE3 LYS 6 2HE LYS 6 5.834 -18.828 -0.027 11 HZ1 LYS 6 1HZ LYS 6 5.510 -20.719 1.391 12 HZ3 LYS 6 2HZ LYS 6 6.083 -19.430 2.245 13 HZ2 LYS 6 3HZ LYS 6 7.089 -20.680 1.862 No H/Q in entry = 13 Start of MODEL 9 1 H ILE 7 H ILE 7 8.577 -18.921 -6.034 2 HA ILE 7 HA ILE 7 7.472 -21.094 -7.495 3 HB ILE 7 HB ILE 7 10.335 -20.153 -7.077 4 HG13 ILE 7 HG12 ILE 7 8.602 -18.655 -8.268 5 HG22 ILE 7 HG21 ILE 7 10.808 -21.570 -9.156 6 HG23 ILE 7 HG22 ILE 7 10.481 -22.491 -7.699 7 HG21 ILE 7 HG23 ILE 7 9.206 -22.296 -8.917 8 HD13 ILE 7 HD11 ILE 7 10.081 -18.004 -10.053 9 HD11 ILE 7 HD12 ILE 7 11.022 -18.358 -8.591 10 HD12 ILE 7 HD13 ILE 7 10.994 -19.516 -9.937 11 HG12 ILE 7 HG11 ILE 7 8.546 -19.887 -9.534 No H/Q in entry = 11 Start of MODEL 9 1 H GLN 8 H GLN 8 7.281 -23.208 -6.981 2 HA GLN 8 HA GLN 8 9.114 -24.603 -5.216 3 HB2 GLN 8 1HB GLN 8 7.666 -23.350 -3.592 4 HB3 GLN 8 2HB GLN 8 6.244 -24.120 -4.290 5 HG2 GLN 8 1HG GLN 8 7.192 -26.337 -3.639 6 HG3 GLN 8 2HG GLN 8 8.603 -25.529 -2.949 7 HE21 GLN 8 HE21 GLN 8 6.062 -27.161 -1.967 8 HE22 GLN 8 HE22 GLN 8 5.548 -26.264 -0.556 No H/Q in entry = 8 Start of MODEL 9 1 H VAL 9 H VAL 9 9.201 -25.570 -7.393 2 HA VAL 9 HA VAL 9 6.849 -27.108 -8.308 3 HB VAL 9 HB VAL 9 9.466 -26.456 -9.612 4 HG11 VAL 9 HG11 VAL 9 6.912 -27.657 -10.771 5 HG12 VAL 9 HG12 VAL 9 8.325 -27.141 -11.717 6 HG13 VAL 9 HG13 VAL 9 8.470 -28.489 -10.591 7 HG22 VAL 9 HG21 VAL 9 8.110 -24.420 -9.283 8 HG23 VAL 9 HG22 VAL 9 8.048 -24.896 -10.988 9 HG21 VAL 9 HG23 VAL 9 6.681 -25.253 -9.921 No H/Q in entry = 9 Start of MODEL 9 1 H TYR 10 H TYR 10 6.977 -28.755 -6.767 2 HA TYR 10 HA TYR 10 9.202 -30.726 -6.935 3 HB2 TYR 10 1HB TYR 10 8.353 -31.628 -4.900 4 HB3 TYR 10 2HB TYR 10 8.730 -29.919 -4.783 5 HD1 TYR 10 HD1 TYR 10 6.109 -32.451 -4.455 6 HD2 TYR 10 HD2 TYR 10 6.894 -28.233 -4.676 7 HE1 TYR 10 HE1 TYR 10 3.968 -31.997 -3.303 8 HE2 TYR 10 HE2 TYR 10 4.750 -27.765 -3.517 9 HH TYR 10 HH TYR 10 2.878 -28.670 -2.531 No H/Q in entry = 9 Start of MODEL 9 1 H SER 11 H SER 11 8.724 -33.035 -7.122 2 HA SER 11 HA SER 11 6.307 -33.733 -8.649 3 HB2 SER 11 1HB SER 11 7.344 -35.911 -8.888 4 HB3 SER 11 2HB SER 11 8.445 -34.629 -9.389 5 HG SER 11 HG SER 11 9.436 -34.823 -7.302 No H/Q in entry = 5 Start of MODEL 9 1 H ARG 12 H ARG 12 4.809 -35.214 -7.944 2 HA ARG 12 HA ARG 12 4.356 -35.534 -5.081 3 HB2 ARG 12 1HB ARG 12 2.479 -35.178 -6.704 4 HB3 ARG 12 2HB ARG 12 2.893 -36.687 -7.502 5 HG2 ARG 12 1HG ARG 12 1.050 -37.136 -6.095 6 HG3 ARG 12 2HG ARG 12 2.442 -37.885 -5.301 7 HD2 ARG 12 1HD ARG 12 2.591 -35.918 -3.763 8 HD3 ARG 12 2HD ARG 12 1.216 -35.175 -4.612 9 HE ARG 12 HE ARG 12 0.504 -37.789 -3.733 10 HH12 ARG 12 HH11 ARG 12 0.117 -34.794 -1.014 11 HH11 ARG 12 HH12 ARG 12 1.152 -34.552 -2.398 12 HH21 ARG 12 HH21 ARG 12 -0.846 -38.067 -1.925 13 HH22 ARG 12 HH22 ARG 12 -1.022 -36.791 -0.743 No H/Q in entry = 13 Start of MODEL 9 1 H HIS 13 H HIS 13 4.630 -37.806 -7.858 2 HA HIS 13 HA HIS 13 5.528 -39.962 -6.079 3 HB2 HIS 13 1HB HIS 13 4.666 -39.898 -8.978 4 HB3 HIS 13 2HB HIS 13 5.041 -41.365 -8.067 5 HD1 HIS 13 HD1 HIS 13 3.441 -41.732 -5.840 6 HD2 HIS 13 HD2 HIS 13 2.069 -39.035 -8.738 7 HE1 HIS 13 HE1 HIS 13 0.959 -41.368 -5.425 No H/Q in entry = 7 Start of MODEL 9 1 HA PRO 14 HA PRO 14 9.745 -39.530 -7.445 2 HB2 PRO 14 1HB PRO 14 10.712 -42.095 -7.261 3 HB3 PRO 14 2HB PRO 14 10.275 -41.106 -5.838 4 HG2 PRO 14 1HG PRO 14 8.524 -43.128 -7.259 5 HG3 PRO 14 2HG PRO 14 8.903 -43.073 -5.513 6 HD2 PRO 14 1HD PRO 14 6.634 -41.994 -6.464 7 HD3 PRO 14 2HD PRO 14 7.578 -41.087 -5.245 No H/Q in entry = 7 Start of MODEL 9 1 H ALA 15 H ALA 15 11.049 -39.725 -9.257 2 HA ALA 15 HA ALA 15 9.769 -40.366 -11.768 3 HB3 ALA 15 1HB ALA 15 11.844 -39.462 -12.725 4 HB2 ALA 15 2HB ALA 15 11.162 -38.397 -11.480 5 HB1 ALA 15 3HB ALA 15 12.574 -39.402 -11.104 No H/Q in entry = 5 Start of MODEL 9 1 H GLU 16 H GLU 16 9.446 -42.676 -11.136 2 HA GLU 16 HA GLU 16 11.729 -44.510 -11.402 3 HB2 GLU 16 1HB GLU 16 8.727 -44.932 -11.152 4 HB3 GLU 16 2HB GLU 16 9.948 -46.219 -11.109 5 HG2 GLU 16 1HG GLU 16 10.892 -45.330 -9.046 6 HG3 GLU 16 2HG GLU 16 9.824 -43.923 -9.103 No H/Q in entry = 6 Start of MODEL 9 1 H ASN 17 H ASN 17 12.142 -43.341 -13.546 2 HA ASN 17 HA ASN 17 12.099 -43.100 -15.749 3 HB2 ASN 17 1HB ASN 17 12.075 -45.827 -15.337 4 HB3 ASN 17 2HB ASN 17 10.740 -45.650 -16.456 5 HD21 ASN 17 HD21 ASN 17 11.394 -44.043 -18.452 6 HD22 ASN 17 HD22 ASN 17 13.007 -44.284 -19.072 No H/Q in entry = 6 Start of MODEL 9 1 H GLY 18 H GLY 18 10.012 -44.106 -17.648 2 HA3 GLY 18 1HA GLY 18 8.341 -41.774 -17.516 3 HA2 GLY 18 2HA GLY 18 8.300 -43.072 -18.709 No H/Q in entry = 3 Start of MODEL 9 1 H LYS 19 H LYS 19 7.097 -42.010 -15.554 2 HA LYS 19 HA LYS 19 4.658 -43.646 -15.945 3 HB2 LYS 19 1HB LYS 19 5.930 -44.939 -14.379 4 HB3 LYS 19 2HB LYS 19 6.354 -43.497 -13.432 5 HG2 LYS 19 1HG LYS 19 4.171 -43.259 -12.556 6 HG3 LYS 19 2HG LYS 19 3.453 -44.286 -13.806 7 HD2 LYS 19 1HD LYS 19 3.529 -45.385 -11.597 8 HD3 LYS 19 2HD LYS 19 4.366 -46.282 -12.869 9 HE2 LYS 19 1HE LYS 19 5.606 -46.339 -10.754 10 HE3 LYS 19 2HE LYS 19 6.550 -45.533 -12.011 11 HZ3 LYS 19 1HZ LYS 19 5.921 -43.440 -11.065 12 HZ2 LYS 19 2HZ LYS 19 6.594 -44.397 -9.898 13 HZ1 LYS 19 3HZ LYS 19 4.961 -44.177 -9.943 No H/Q in entry = 13 Start of MODEL 9 1 H SER 20 H SER 20 2.855 -42.597 -15.466 2 HA SER 20 HA SER 20 2.596 -39.823 -15.360 3 HB2 SER 20 1HB SER 20 0.742 -42.078 -14.494 4 HB3 SER 20 2HB SER 20 0.245 -40.381 -14.607 5 HG SER 20 HG SER 20 -0.199 -41.483 -16.526 No H/Q in entry = 5 Start of MODEL 9 1 H ASN 21 H ASN 21 3.660 -38.696 -13.840 2 HA ASN 21 HA ASN 21 3.104 -39.148 -10.932 3 HB2 ASN 21 1HB ASN 21 5.457 -37.869 -12.394 4 HB3 ASN 21 2HB ASN 21 5.231 -37.846 -10.636 5 HD21 ASN 21 HD21 ASN 21 7.557 -38.743 -11.351 6 HD22 ASN 21 HD22 ASN 21 7.671 -40.487 -11.212 No H/Q in entry = 6 Start of MODEL 9 1 H PHE 22 H PHE 22 2.325 -37.270 -9.820 2 HA PHE 22 HA PHE 22 1.388 -35.070 -11.559 3 HB2 PHE 22 1HB PHE 22 0.828 -35.840 -8.692 4 HB3 PHE 22 2HB PHE 22 0.257 -34.351 -9.435 5 HD1 PHE 22 HD1 PHE 22 -1.306 -34.396 -11.380 6 HD2 PHE 22 HD2 PHE 22 -0.197 -38.011 -9.307 7 HE1 PHE 22 HE1 PHE 22 -3.298 -35.543 -12.312 8 HE2 PHE 22 HE2 PHE 22 -2.094 -39.195 -10.378 9 HZ PHE 22 HZ PHE 22 -3.671 -37.956 -11.844 No H/Q in entry = 9 Start of MODEL 9 1 H LEU 23 H LEU 23 2.428 -33.176 -11.756 2 HA LEU 23 HA LEU 23 4.748 -32.494 -10.130 3 HB2 LEU 23 1HB LEU 23 4.349 -31.993 -12.621 4 HB3 LEU 23 2HB LEU 23 3.191 -30.775 -12.107 5 HG LEU 23 HG LEU 23 5.033 -29.475 -11.071 6 HD11 LEU 23 HD11 LEU 23 6.769 -31.831 -11.970 7 HD13 LEU 23 HD12 LEU 23 6.583 -31.220 -10.310 8 HD12 LEU 23 HD13 LEU 23 7.404 -30.241 -11.524 9 HD23 LEU 23 HD21 LEU 23 5.683 -30.432 -13.879 10 HD22 LEU 23 HD22 LEU 23 6.244 -28.925 -13.128 11 HD21 LEU 23 HD23 LEU 23 4.516 -29.160 -13.447 No H/Q in entry = 11 Start of MODEL 9 1 H ASN 24 H ASN 24 4.702 -30.150 -9.079 2 HA ASN 24 HA ASN 24 2.052 -29.268 -8.104 3 HB2 ASN 24 1HB ASN 24 4.276 -30.299 -6.297 4 HB3 ASN 24 2HB ASN 24 2.895 -29.349 -5.743 5 HD21 ASN 24 HD21 ASN 24 4.080 -32.478 -6.145 6 HD22 ASN 24 HD22 ASN 24 2.564 -33.342 -6.009 No H/Q in entry = 6 Start of MODEL 9 1 H CYS 25 H CYS 25 2.628 -27.379 -9.374 2 HA CYS 25 HA CYS 25 4.892 -25.746 -8.395 3 HB2 CYS 25 1HB CYS 25 2.709 -24.832 -10.252 4 HB3 CYS 25 2HB CYS 25 4.312 -24.156 -10.005 No H/Q in entry = 4 Start of MODEL 9 1 H TYR 26 H TYR 26 4.358 -25.578 -6.189 2 HA TYR 26 HA TYR 26 1.733 -24.615 -5.353 3 HB2 TYR 26 1HB TYR 26 2.868 -26.350 -4.113 4 HB3 TYR 26 2HB TYR 26 4.248 -25.304 -3.820 5 HD1 TYR 26 HD1 TYR 26 4.264 -23.823 -1.924 6 HD2 TYR 26 HD2 TYR 26 0.571 -25.673 -3.157 7 HE1 TYR 26 HE1 TYR 26 3.145 -22.937 0.093 8 HE2 TYR 26 HE2 TYR 26 -0.489 -24.953 -1.044 9 HH TYR 26 HH TYR 26 -0.265 -23.716 0.885 No H/Q in entry = 9 Start of MODEL 9 1 H VAL 27 H VAL 27 1.730 -22.555 -6.450 2 HA VAL 27 HA VAL 27 3.754 -20.560 -5.664 3 HB VAL 27 HB VAL 27 2.516 -19.101 -7.258 4 HG11 VAL 27 HG11 VAL 27 4.645 -20.249 -7.764 5 HG12 VAL 27 HG12 VAL 27 3.738 -21.654 -8.371 6 HG13 VAL 27 HG13 VAL 27 3.612 -20.087 -9.195 7 HG23 VAL 27 HG21 VAL 27 1.208 -21.704 -8.180 8 HG21 VAL 27 HG22 VAL 27 0.364 -20.316 -7.459 9 HG22 VAL 27 HG23 VAL 27 1.176 -20.149 -9.014 No H/Q in entry = 9 Start of MODEL 9 1 H SER 28 H SER 28 3.360 -20.236 -3.484 2 HA SER 28 HA SER 28 0.773 -19.058 -2.660 3 HB2 SER 28 1HB SER 28 1.699 -19.181 -0.420 4 HB3 SER 28 2HB SER 28 1.816 -20.746 -1.243 5 HG SER 28 HG SER 28 3.990 -20.300 -1.655 No H/Q in entry = 5 Start of MODEL 9 1 H GLY 29 H GLY 29 0.963 -17.068 -1.206 2 HA3 GLY 29 1HA GLY 29 1.995 -15.178 -0.424 3 HA2 GLY 29 2HA GLY 29 3.338 -15.380 -1.541 No H/Q in entry = 3 Start of MODEL 9 1 H PHE 30 H PHE 30 2.040 -15.374 -4.034 2 HA PHE 30 HA PHE 30 2.253 -12.695 -4.413 3 HB2 PHE 30 1HB PHE 30 1.752 -13.053 -6.716 4 HB3 PHE 30 2HB PHE 30 2.615 -14.452 -6.119 5 HD1 PHE 30 HD1 PHE 30 1.403 -16.637 -5.713 6 HD2 PHE 30 HD2 PHE 30 -0.540 -13.211 -7.474 7 HE1 PHE 30 HE1 PHE 30 -0.610 -18.007 -6.231 8 HE2 PHE 30 HE2 PHE 30 -2.497 -14.615 -8.034 9 HZ PHE 30 HZ PHE 30 -2.607 -16.953 -7.235 No H/Q in entry = 9 Start of MODEL 9 1 H HIS 31 H HIS 31 0.963 -10.913 -4.601 2 HA HIS 31 HA HIS 31 -1.989 -11.177 -4.774 3 HB2 HIS 31 1HB HIS 31 -0.139 -8.965 -3.998 4 HB3 HIS 31 2HB HIS 31 -1.716 -8.599 -4.679 5 HD1 HIS 31 HD1 HIS 31 -3.245 -7.985 -2.898 6 HD2 HIS 31 HD2 HIS 31 -0.967 -11.360 -1.922 7 HE1 HIS 31 HE1 HIS 31 -4.067 -8.821 -0.642 No H/Q in entry = 7 Start of MODEL 9 1 HA PRO 32 HA PRO 32 -3.649 -9.985 -5.671 2 HB2 PRO 32 1HB PRO 32 -5.428 -9.372 -7.552 3 HB3 PRO 32 2HB PRO 32 -4.163 -8.208 -7.128 4 HG2 PRO 32 1HG PRO 32 -4.054 -10.167 -9.442 5 HG3 PRO 32 2HG PRO 32 -3.870 -8.394 -9.511 6 HD2 PRO 32 1HD PRO 32 -1.718 -10.124 -9.268 7 HD3 PRO 32 2HD PRO 32 -1.727 -8.490 -8.548 No H/Q in entry = 7 Start of MODEL 9 1 H SER 33 H SER 33 -5.723 -11.226 -7.811 2 HA SER 33 HA SER 33 -5.223 -14.013 -7.109 3 HB2 SER 33 1HB SER 33 -7.429 -14.327 -8.206 4 HB3 SER 33 2HB SER 33 -7.466 -13.084 -6.939 5 HG SER 33 HG SER 33 -8.501 -12.510 -8.962 No H/Q in entry = 5 Start of MODEL 9 1 H ASP 34 H ASP 34 -4.948 -11.914 -9.932 2 HA ASP 34 HA ASP 34 -5.166 -13.974 -11.893 3 HB2 ASP 34 1HB ASP 34 -4.312 -11.069 -12.138 4 HB3 ASP 34 2HB ASP 34 -4.880 -12.112 -13.452 No H/Q in entry = 4 Start of MODEL 9 1 H ILE 35 H ILE 35 -3.268 -15.245 -10.860 2 HA ILE 35 HA ILE 35 -0.685 -14.515 -12.072 3 HB ILE 35 HB ILE 35 -0.787 -15.512 -9.856 4 HG13 ILE 35 HG12 ILE 35 1.184 -15.607 -11.410 5 HG21 ILE 35 HG21 ILE 35 -2.662 -17.149 -10.283 6 HG22 ILE 35 HG22 ILE 35 -1.549 -18.108 -11.280 7 HG23 ILE 35 HG23 ILE 35 -1.244 -17.902 -9.549 8 HD12 ILE 35 HD11 ILE 35 1.011 -17.764 -9.282 9 HD13 ILE 35 HD12 ILE 35 2.483 -17.035 -9.954 10 HD11 ILE 35 HD13 ILE 35 1.361 -16.041 -9.010 11 HG12 ILE 35 HG11 ILE 35 0.774 -17.304 -11.721 No H/Q in entry = 11 Start of MODEL 9 1 H GLU 36 H GLU 36 0.414 -16.044 -13.530 2 HA GLU 36 HA GLU 36 -1.440 -17.343 -15.494 3 HB2 GLU 36 1HB GLU 36 0.784 -15.361 -15.951 4 HB3 GLU 36 2HB GLU 36 -0.136 -16.161 -17.239 5 HG2 GLU 36 1HG GLU 36 -2.179 -15.001 -16.512 6 HG3 GLU 36 2HG GLU 36 -1.318 -14.248 -15.157 No H/Q in entry = 6 Start of MODEL 9 1 H VAL 37 H VAL 37 -0.591 -19.205 -14.225 2 HA VAL 37 HA VAL 37 2.184 -20.032 -14.770 3 HB VAL 37 HB VAL 37 -0.078 -21.543 -13.459 4 HG13 VAL 37 HG11 VAL 37 1.654 -23.055 -14.348 5 HG11 VAL 37 HG12 VAL 37 2.924 -22.076 -13.586 6 HG12 VAL 37 HG13 VAL 37 1.763 -22.981 -12.590 7 HG22 VAL 37 HG21 VAL 37 0.460 -19.619 -12.087 8 HG23 VAL 37 HG22 VAL 37 1.322 -20.988 -11.366 9 HG21 VAL 37 HG23 VAL 37 2.201 -19.830 -12.370 No H/Q in entry = 9 Start of MODEL 9 1 H ASP 38 H ASP 38 2.269 -20.065 -16.946 2 HA ASP 38 HA ASP 38 0.334 -21.570 -18.591 3 HB2 ASP 38 1HB ASP 38 2.768 -19.925 -19.374 4 HB3 ASP 38 2HB ASP 38 1.442 -20.426 -20.439 No H/Q in entry = 4 Start of MODEL 9 1 H LEU 39 H LEU 39 1.620 -23.361 -16.981 2 HA LEU 39 HA LEU 39 4.242 -23.974 -17.590 3 HB2 LEU 39 1HB LEU 39 4.062 -25.828 -16.176 4 HB3 LEU 39 2HB LEU 39 3.033 -24.559 -15.511 5 HG LEU 39 HG LEU 39 2.122 -26.945 -17.162 6 HD11 LEU 39 HD11 LEU 39 3.078 -27.595 -14.952 7 HD13 LEU 39 HD12 LEU 39 1.328 -27.862 -14.969 8 HD12 LEU 39 HD13 LEU 39 1.996 -26.446 -14.141 9 HD23 LEU 39 HD21 LEU 39 -0.154 -26.425 -16.192 10 HD22 LEU 39 HD22 LEU 39 0.419 -25.219 -17.342 11 HD21 LEU 39 HD23 LEU 39 0.497 -24.888 -15.595 No H/Q in entry = 11 Start of MODEL 9 1 H LEU 40 H LEU 40 5.227 -25.936 -18.229 2 HA LEU 40 HA LEU 40 4.225 -26.703 -20.933 3 HB2 LEU 40 1HB LEU 40 7.081 -26.098 -20.103 4 HB3 LEU 40 2HB LEU 40 6.456 -26.286 -21.744 5 HG LEU 40 HG LEU 40 5.862 -23.985 -19.823 6 HD12 LEU 40 HD11 LEU 40 7.152 -22.657 -21.456 7 HD11 LEU 40 HD12 LEU 40 7.500 -24.127 -22.387 8 HD13 LEU 40 HD13 LEU 40 8.135 -23.944 -20.736 9 HD21 LEU 40 HD21 LEU 40 4.950 -24.433 -22.701 10 HD23 LEU 40 HD22 LEU 40 4.719 -22.943 -21.750 11 HD22 LEU 40 HD23 LEU 40 3.907 -24.431 -21.278 No H/Q in entry = 11 Start of MODEL 9 1 H LYS 41 H LYS 41 5.377 -28.446 -21.953 2 HA LYS 41 HA LYS 41 7.072 -30.171 -20.327 3 HB2 LYS 41 1HB LYS 41 6.001 -32.215 -21.023 4 HB3 LYS 41 2HB LYS 41 4.998 -31.252 -19.921 5 HG2 LYS 41 1HG LYS 41 3.572 -30.521 -21.765 6 HG3 LYS 41 2HG LYS 41 4.504 -31.458 -22.924 7 HD2 LYS 41 1HD LYS 41 2.916 -32.590 -20.597 8 HD3 LYS 41 2HD LYS 41 2.506 -32.664 -22.314 9 HE2 LYS 41 1HE LYS 41 4.819 -34.059 -20.894 10 HE3 LYS 41 2HE LYS 41 3.389 -34.798 -21.603 11 HZ3 LYS 41 1HZ LYS 41 4.139 -34.101 -23.753 12 HZ2 LYS 41 2HZ LYS 41 5.318 -34.986 -23.007 13 HZ1 LYS 41 3HZ LYS 41 5.459 -33.353 -23.106 No H/Q in entry = 13 Start of MODEL 9 1 H ASN 42 H ASN 42 8.841 -29.767 -21.498 2 HA ASN 42 HA ASN 42 10.248 -29.451 -23.209 3 HB2 ASN 42 1HB ASN 42 9.804 -31.921 -23.324 4 HB3 ASN 42 2HB ASN 42 8.630 -31.624 -24.609 5 HD21 ASN 42 HD21 ASN 42 12.060 -30.940 -23.689 6 HD22 ASN 42 HD22 ASN 42 12.704 -31.098 -25.309 No H/Q in entry = 6 Start of MODEL 9 1 H GLY 43 H GLY 43 8.529 -27.450 -23.124 2 HA3 GLY 43 1HA GLY 43 8.179 -25.612 -24.472 3 HA2 GLY 43 2HA GLY 43 8.309 -26.585 -25.932 No H/Q in entry = 3 Start of MODEL 9 1 H GLU 44 H GLU 44 6.234 -28.604 -24.971 2 HA GLU 44 HA GLU 44 4.024 -27.181 -26.170 3 HB2 GLU 44 1HB GLU 44 4.117 -29.987 -24.991 4 HB3 GLU 44 2HB GLU 44 2.893 -29.333 -26.086 5 HG2 GLU 44 1HG GLU 44 5.827 -29.867 -26.728 6 HG3 GLU 44 2HG GLU 44 4.418 -30.740 -27.329 No H/Q in entry = 6 Start of MODEL 9 1 H ARG 45 H ARG 45 2.339 -26.196 -25.206 2 HA ARG 45 HA ARG 45 2.298 -25.781 -22.383 3 HB2 ARG 45 1HB ARG 45 0.195 -25.234 -24.506 4 HB3 ARG 45 2HB ARG 45 0.114 -24.678 -22.827 5 HG2 ARG 45 1HG ARG 45 2.326 -23.503 -23.170 6 HG3 ARG 45 2HG ARG 45 2.204 -23.885 -24.899 7 HD2 ARG 45 1HD ARG 45 0.246 -22.251 -23.226 8 HD3 ARG 45 2HD ARG 45 1.376 -21.615 -24.436 9 HE ARG 45 HE ARG 45 -0.189 -23.518 -25.763 10 HH12 ARG 45 HH11 ARG 45 -2.198 -20.070 -25.008 11 HH11 ARG 45 HH12 ARG 45 -0.743 -20.417 -24.109 12 HH21 ARG 45 HH21 ARG 45 -2.104 -23.051 -26.899 13 HH22 ARG 45 HH22 ARG 45 -2.972 -21.566 -26.599 No H/Q in entry = 13 Start of MODEL 9 1 H ILE 46 H ILE 46 1.067 -26.622 -20.780 2 HA ILE 46 HA ILE 46 -0.392 -29.129 -21.185 3 HB ILE 46 HB ILE 46 0.015 -27.294 -18.792 4 HG13 ILE 46 HG12 ILE 46 1.504 -29.062 -17.947 5 HG23 ILE 46 HG21 ILE 46 -2.059 -28.484 -18.466 6 HG21 ILE 46 HG22 ILE 46 -1.316 -30.029 -18.909 7 HG22 ILE 46 HG23 ILE 46 -0.827 -29.182 -17.425 8 HD13 ILE 46 HD11 ILE 46 2.431 -30.754 -19.336 9 HD11 ILE 46 HD12 ILE 46 0.677 -31.000 -19.359 10 HD12 ILE 46 HD13 ILE 46 1.488 -30.246 -20.748 11 HG12 ILE 46 HG11 ILE 46 2.115 -28.307 -19.419 No H/Q in entry = 11 Start of MODEL 9 1 H GLU 47 H GLU 47 -2.413 -29.178 -21.898 2 HA GLU 47 HA GLU 47 -4.165 -26.817 -21.811 3 HB2 GLU 47 1HB GLU 47 -3.963 -28.260 -23.823 4 HB3 GLU 47 2HB GLU 47 -4.646 -29.614 -22.908 5 HG2 GLU 47 1HG GLU 47 -6.735 -28.298 -22.559 6 HG3 GLU 47 2HG GLU 47 -6.019 -26.938 -23.441 No H/Q in entry = 6 Start of MODEL 9 1 H LYS 48 H LYS 48 -3.998 -30.162 -20.488 2 HA LYS 48 HA LYS 48 -6.314 -29.801 -18.751 3 HB2 LYS 48 1HB LYS 48 -5.634 -31.962 -19.817 4 HB3 LYS 48 2HB LYS 48 -4.212 -31.996 -18.764 5 HG2 LYS 48 1HG LYS 48 -5.931 -31.788 -16.795 6 HG3 LYS 48 2HG LYS 48 -7.160 -32.171 -18.005 7 HD2 LYS 48 1HD LYS 48 -4.742 -33.879 -17.244 8 HD3 LYS 48 2HD LYS 48 -6.418 -34.157 -16.749 9 HE2 LYS 48 1HE LYS 48 -7.061 -34.462 -19.148 10 HE3 LYS 48 2HE LYS 48 -5.354 -34.280 -19.608 11 HZ1 LYS 48 1HZ LYS 48 -4.847 -36.176 -18.266 12 HZ3 LYS 48 2HZ LYS 48 -5.960 -36.552 -19.423 13 HZ2 LYS 48 3HZ LYS 48 -6.433 -36.361 -17.855 No H/Q in entry = 13 Start of MODEL 9 1 H VAL 49 H VAL 49 -5.359 -27.740 -17.885 2 HA VAL 49 HA VAL 49 -3.259 -27.989 -15.840 3 HB VAL 49 HB VAL 49 -5.117 -25.673 -16.539 4 HG11 VAL 49 HG11 VAL 49 -2.559 -25.828 -14.891 5 HG12 VAL 49 HG12 VAL 49 -3.340 -24.314 -15.393 6 HG13 VAL 49 HG13 VAL 49 -4.193 -25.420 -14.306 7 HG21 VAL 49 HG21 VAL 49 -2.264 -26.218 -17.469 8 HG22 VAL 49 HG22 VAL 49 -3.725 -26.207 -18.485 9 HG23 VAL 49 HG23 VAL 49 -3.167 -24.713 -17.730 No H/Q in entry = 9 Start of MODEL 9 1 H GLU 50 H GLU 50 -3.697 -28.261 -13.649 2 HA GLU 50 HA GLU 50 -6.537 -28.188 -12.726 3 HB2 GLU 50 1HB GLU 50 -4.510 -30.342 -12.048 4 HB3 GLU 50 2HB GLU 50 -6.171 -30.170 -11.435 5 HG2 GLU 50 1HG GLU 50 -7.048 -30.517 -13.731 6 HG3 GLU 50 2HG GLU 50 -5.394 -30.698 -14.342 No H/Q in entry = 6 Start of MODEL 9 1 H HIS 51 H HIS 51 -6.759 -26.973 -11.010 2 HA HIS 51 HA HIS 51 -4.367 -26.031 -9.482 3 HB2 HIS 51 1HB HIS 51 -5.425 -23.891 -9.362 4 HB3 HIS 51 2HB HIS 51 -5.302 -24.384 -11.046 5 HD1 HIS 51 HD1 HIS 51 -7.743 -23.317 -8.464 6 HD2 HIS 51 HD2 HIS 51 -7.866 -25.221 -12.198 7 HE1 HIS 51 HE1 HIS 51 -10.144 -23.211 -9.297 No H/Q in entry = 7 Start of MODEL 9 1 H SER 52 H SER 52 -5.430 -24.738 -7.404 2 HA SER 52 HA SER 52 -6.887 -26.779 -5.853 3 HB2 SER 52 1HB SER 52 -6.531 -25.279 -3.974 4 HB3 SER 52 2HB SER 52 -5.012 -25.657 -4.800 5 HG SER 52 HG SER 52 -5.234 -23.425 -4.295 No H/Q in entry = 5 Start of MODEL 9 1 H ASP 53 H ASP 53 -7.738 -23.555 -5.034 2 HA ASP 53 HA ASP 53 -9.887 -23.191 -6.911 3 HB2 ASP 53 1HB ASP 53 -10.873 -24.951 -5.398 4 HB3 ASP 53 2HB ASP 53 -10.657 -23.855 -4.031 No H/Q in entry = 4 Start of MODEL 9 1 H LEU 54 H LEU 54 -7.738 -21.679 -6.468 2 HA LEU 54 HA LEU 54 -6.830 -19.760 -5.748 3 HB2 LEU 54 1HB LEU 54 -8.755 -18.977 -7.210 4 HB3 LEU 54 2HB LEU 54 -9.689 -18.724 -5.733 5 HG LEU 54 HG LEU 54 -7.550 -17.337 -4.995 6 HD11 LEU 54 HD11 LEU 54 -6.170 -17.927 -6.977 7 HD13 LEU 54 HD12 LEU 54 -6.459 -16.183 -6.891 8 HD12 LEU 54 HD13 LEU 54 -7.375 -17.175 -8.040 9 HD22 LEU 54 HD21 LEU 54 -9.803 -16.375 -5.290 10 HD21 LEU 54 HD22 LEU 54 -9.568 -16.314 -7.048 11 HD23 LEU 54 HD23 LEU 54 -8.587 -15.287 -5.978 No H/Q in entry = 11 Start of MODEL 9 1 H SER 55 H SER 55 -6.390 -21.032 -3.785 2 HA SER 55 HA SER 55 -8.262 -20.979 -1.607 3 HB2 SER 55 1HB SER 55 -5.418 -22.032 -1.641 4 HB3 SER 55 2HB SER 55 -6.719 -22.469 -0.509 5 HG SER 55 HG SER 55 -6.442 -23.963 -2.245 No H/Q in entry = 5 Start of MODEL 9 1 H PHE 56 H PHE 56 -8.324 -19.719 0.172 2 HA PHE 56 HA PHE 56 -6.604 -17.339 0.159 3 HB2 PHE 56 1HB PHE 56 -9.120 -17.909 1.751 4 HB3 PHE 56 2HB PHE 56 -8.361 -16.348 1.449 5 HD1 PHE 56 HD1 PHE 56 -8.460 -15.353 -0.874 6 HD2 PHE 56 HD2 PHE 56 -10.573 -18.968 0.150 7 HE1 PHE 56 HE1 PHE 56 -9.881 -15.111 -2.905 8 HE2 PHE 56 HE2 PHE 56 -11.973 -18.726 -1.879 9 HZ PHE 56 HZ PHE 56 -11.630 -16.798 -3.408 No H/Q in entry = 9 Start of MODEL 9 1 H SER 57 H SER 57 -4.691 -17.755 1.288 2 HA SER 57 HA SER 57 -4.595 -19.258 3.742 3 HB2 SER 57 1HB SER 57 -2.294 -18.413 3.908 4 HB3 SER 57 2HB SER 57 -2.627 -19.023 2.285 5 HG SER 57 HG SER 57 -1.568 -16.988 2.308 No H/Q in entry = 5 Start of MODEL 9 1 H LYS 58 H LYS 58 -3.960 -18.447 5.817 2 HA LYS 58 HA LYS 58 -5.420 -16.199 6.821 3 HB2 LYS 58 1HB LYS 58 -4.351 -16.700 8.920 4 HB3 LYS 58 2HB LYS 58 -4.862 -18.199 8.133 5 HG2 LYS 58 1HG LYS 58 -2.455 -18.496 7.324 6 HG3 LYS 58 2HG LYS 58 -2.031 -17.048 8.247 7 HD2 LYS 58 1HD LYS 58 -1.409 -18.893 9.561 8 HD3 LYS 58 2HD LYS 58 -2.829 -18.170 10.336 9 HE2 LYS 58 1HE LYS 58 -4.261 -19.961 9.412 10 HE3 LYS 58 2HE LYS 58 -2.888 -20.611 8.492 11 HZ2 LYS 58 1HZ LYS 58 -3.289 -21.810 10.508 12 HZ1 LYS 58 2HZ LYS 58 -3.057 -20.450 11.413 13 HZ3 LYS 58 3HZ LYS 58 -1.807 -21.087 10.546 No H/Q in entry = 13 Start of MODEL 9 1 H ASP 59 H ASP 59 -2.133 -16.651 5.590 2 HA ASP 59 HA ASP 59 -0.960 -14.224 6.494 3 HB2 ASP 59 1HB ASP 59 -0.389 -15.856 3.984 4 HB3 ASP 59 2HB ASP 59 0.681 -14.652 4.717 No H/Q in entry = 4 Start of MODEL 9 1 H GLY 60 H GLY 60 -3.120 -15.026 3.794 2 HA3 GLY 60 1HA GLY 60 -4.510 -13.480 2.712 3 HA2 GLY 60 2HA GLY 60 -3.418 -12.153 3.114 No H/Q in entry = 3 Start of MODEL 9 1 H SER 61 H SER 61 -3.576 -15.218 1.259 2 HA SER 61 HA SER 61 -2.707 -13.974 -1.168 3 HB2 SER 61 1HB SER 61 -0.680 -15.323 -1.516 4 HB3 SER 61 2HB SER 61 -0.478 -14.190 -0.163 5 HG SER 61 HG SER 61 -0.984 -15.940 1.232 No H/Q in entry = 5 Start of MODEL 9 1 H PHE 62 H PHE 62 -2.603 -15.529 -2.938 2 HA PHE 62 HA PHE 62 -4.881 -17.366 -2.628 3 HB2 PHE 62 1HB PHE 62 -3.709 -16.098 -5.096 4 HB3 PHE 62 2HB PHE 62 -5.252 -16.929 -4.929 5 HD1 PHE 62 HD1 PHE 62 -7.016 -15.851 -3.308 6 HD2 PHE 62 HD2 PHE 62 -3.404 -13.840 -4.491 7 HE1 PHE 62 HE1 PHE 62 -7.988 -13.672 -2.610 8 HE2 PHE 62 HE2 PHE 62 -4.375 -11.667 -3.797 9 HZ PHE 62 HZ PHE 62 -6.680 -11.583 -2.865 No H/Q in entry = 9 Start of MODEL 9 1 H TYR 63 H TYR 63 -3.409 -19.107 -1.750 2 HA TYR 63 HA TYR 63 -1.199 -19.968 -3.330 3 HB2 TYR 63 1HB TYR 63 -0.818 -21.646 -1.708 4 HB3 TYR 63 2HB TYR 63 -1.167 -20.102 -0.946 5 HD1 TYR 63 HD1 TYR 63 -2.275 -23.584 -1.383 6 HD2 TYR 63 HD2 TYR 63 -3.323 -19.755 0.279 7 HE1 TYR 63 HE1 TYR 63 -3.859 -24.694 0.159 8 HE2 TYR 63 HE2 TYR 63 -4.918 -20.872 1.827 9 HH TYR 63 HH TYR 63 -5.371 -24.418 1.876 No H/Q in entry = 9 Start of MODEL 9 1 H LEU 64 H LEU 64 -1.440 -20.806 -5.266 2 HA LEU 64 HA LEU 64 -3.530 -22.826 -5.825 3 HB2 LEU 64 1HB LEU 64 -1.628 -21.273 -7.537 4 HB3 LEU 64 2HB LEU 64 -2.711 -22.508 -8.177 5 HG LEU 64 HG LEU 64 -4.000 -20.454 -6.406 6 HD13 LEU 64 HD11 LEU 64 -4.120 -18.789 -8.186 7 HD12 LEU 64 HD12 LEU 64 -3.123 -19.808 -9.240 8 HD11 LEU 64 HD13 LEU 64 -2.422 -19.118 -7.771 9 HD22 LEU 64 HD21 LEU 64 -5.816 -20.676 -7.998 10 HD21 LEU 64 HD22 LEU 64 -5.282 -22.284 -7.477 11 HD23 LEU 64 HD23 LEU 64 -4.804 -21.657 -9.074 No H/Q in entry = 11 Start of MODEL 9 1 H LEU 65 H LEU 65 -2.765 -24.610 -7.329 2 HA LEU 65 HA LEU 65 -0.134 -25.797 -6.699 3 HB2 LEU 65 1HB LEU 65 -1.779 -26.434 -4.852 4 HB3 LEU 65 2HB LEU 65 -2.807 -27.145 -6.088 5 HG LEU 65 HG LEU 65 -0.652 -28.561 -6.699 6 HD11 LEU 65 HD11 LEU 65 0.907 -27.285 -5.229 7 HD13 LEU 65 HD12 LEU 65 0.800 -28.993 -4.758 8 HD12 LEU 65 HD13 LEU 65 -0.060 -27.774 -3.815 9 HD23 LEU 65 HD21 LEU 65 -2.198 -29.035 -4.110 10 HD22 LEU 65 HD22 LEU 65 -1.299 -30.262 -5.026 11 HD21 LEU 65 HD23 LEU 65 -2.738 -29.506 -5.730 No H/Q in entry = 11 Start of MODEL 9 1 H TYR 66 H TYR 66 0.252 -25.490 -8.986 2 HA TYR 66 HA TYR 66 -1.773 -26.481 -10.879 3 HB2 TYR 66 1HB TYR 66 0.857 -25.090 -11.307 4 HB3 TYR 66 2HB TYR 66 -0.204 -25.656 -12.586 5 HD1 TYR 66 HD1 TYR 66 -2.562 -24.810 -12.740 6 HD2 TYR 66 HD2 TYR 66 0.289 -23.037 -10.059 7 HE1 TYR 66 HE1 TYR 66 -3.822 -22.671 -12.833 8 HE2 TYR 66 HE2 TYR 66 -0.995 -20.910 -10.108 9 HH TYR 66 HH TYR 66 -3.868 -20.466 -12.217 No H/Q in entry = 9 Start of MODEL 9 1 H TYR 67 H TYR 67 -1.813 -28.679 -10.429 2 HA TYR 67 HA TYR 67 0.646 -30.249 -10.825 3 HB2 TYR 67 1HB TYR 67 -0.615 -32.103 -9.891 4 HB3 TYR 67 2HB TYR 67 -0.461 -30.700 -8.840 5 HD1 TYR 67 HD1 TYR 67 -2.857 -32.888 -10.611 6 HD2 TYR 67 HD2 TYR 67 -2.340 -29.486 -8.058 7 HE1 TYR 67 HE1 TYR 67 -5.283 -32.870 -10.153 8 HE2 TYR 67 HE2 TYR 67 -4.790 -29.384 -7.670 9 HH TYR 67 HH TYR 67 -7.029 -31.794 -9.092 No H/Q in entry = 9 Start of MODEL 9 1 H THR 68 H THR 68 1.042 -30.471 -13.006 2 HA THR 68 HA THR 68 -1.037 -31.659 -14.731 3 HB THR 68 HB THR 68 0.423 -29.960 -15.644 4 HG1 THR 68 HG1 THR 68 -0.460 -31.601 -16.935 5 HG21 THR 68 HG21 THR 68 2.554 -30.446 -14.450 6 HG23 THR 68 HG22 THR 68 2.760 -30.441 -16.208 7 HG22 THR 68 HG23 THR 68 2.690 -31.979 -15.341 No H/Q in entry = 7 Start of MODEL 9 1 H GLU 69 H GLU 69 -0.993 -33.822 -15.402 2 HA GLU 69 HA GLU 69 0.495 -35.736 -13.768 3 HB2 GLU 69 1HB GLU 69 -1.895 -36.011 -14.387 4 HB3 GLU 69 2HB GLU 69 -1.428 -36.161 -16.084 5 HG2 GLU 69 1HG GLU 69 -0.056 -38.161 -15.521 6 HG3 GLU 69 2HG GLU 69 -0.477 -37.968 -13.809 No H/Q in entry = 6 Start of MODEL 9 1 H PHE 70 H PHE 70 2.673 -35.356 -14.367 2 HA PHE 70 HA PHE 70 3.416 -35.432 -17.200 3 HB2 PHE 70 1HB PHE 70 5.413 -34.557 -16.600 4 HB3 PHE 70 2HB PHE 70 4.241 -33.653 -15.660 5 HD1 PHE 70 HD1 PHE 70 7.216 -35.747 -15.689 6 HD2 PHE 70 HD2 PHE 70 4.139 -34.159 -13.139 7 HE1 PHE 70 HE1 PHE 70 8.504 -36.441 -13.707 8 HE2 PHE 70 HE2 PHE 70 5.527 -34.702 -11.136 9 HZ PHE 70 HZ PHE 70 7.684 -35.891 -11.423 No H/Q in entry = 9 Start of MODEL 9 1 H THR 71 H THR 71 4.111 -37.219 -18.182 2 HA THR 71 HA THR 71 5.356 -39.461 -16.708 3 HB THR 71 HB THR 71 4.474 -39.120 -19.581 4 HG1 THR 71 HG1 THR 71 2.799 -39.229 -18.048 5 HG23 THR 71 HG21 THR 71 4.786 -41.551 -19.732 6 HG22 THR 71 HG22 THR 71 5.401 -41.590 -18.073 7 HG21 THR 71 HG23 THR 71 6.340 -40.789 -19.354 No H/Q in entry = 7 Start of MODEL 9 1 HA PRO 72 HA PRO 72 9.127 -37.217 -18.266 2 HB2 PRO 72 1HB PRO 72 11.004 -38.164 -16.562 3 HB3 PRO 72 2HB PRO 72 9.781 -36.971 -16.048 4 HG2 PRO 72 1HG PRO 72 9.694 -39.967 -15.669 5 HG3 PRO 72 2HG PRO 72 9.420 -38.712 -14.435 6 HD2 PRO 72 1HD PRO 72 7.381 -39.952 -15.787 7 HD3 PRO 72 2HD PRO 72 7.259 -38.245 -15.284 No H/Q in entry = 7 Start of MODEL 9 1 H THR 73 H THR 73 8.764 -38.358 -20.199 2 HA THR 73 HA THR 73 8.973 -41.048 -20.655 3 HB THR 73 HB THR 73 9.605 -38.798 -22.617 4 HG1 THR 73 HG1 THR 73 7.138 -39.990 -21.901 5 HG23 THR 73 HG21 THR 73 10.095 -41.042 -23.560 6 HG22 THR 73 HG22 THR 73 8.644 -40.340 -24.296 7 HG21 THR 73 HG23 THR 73 8.484 -41.605 -23.060 No H/Q in entry = 7 Start of MODEL 9 1 H GLU 74 H GLU 74 11.549 -38.623 -21.391 2 HA GLU 74 HA GLU 74 13.623 -40.428 -20.541 3 HB2 GLU 74 1HB GLU 74 13.142 -41.348 -22.815 4 HB3 GLU 74 2HB GLU 74 13.431 -39.759 -23.522 5 HG2 GLU 74 1HG GLU 74 15.794 -39.850 -22.632 6 HG3 GLU 74 2HG GLU 74 15.445 -41.462 -21.987 No H/Q in entry = 6 Start of MODEL 9 1 H LYS 75 H LYS 75 13.396 -37.747 -22.891 2 HA LYS 75 HA LYS 75 14.950 -36.027 -21.026 3 HB2 LYS 75 1HB LYS 75 16.285 -35.155 -22.750 4 HB3 LYS 75 2HB LYS 75 16.437 -36.905 -22.769 5 HG2 LYS 75 1HG LYS 75 14.935 -35.180 -24.785 6 HG3 LYS 75 2HG LYS 75 16.452 -36.048 -24.996 7 HD2 LYS 75 1HD LYS 75 15.059 -38.197 -24.456 8 HD3 LYS 75 2HD LYS 75 13.651 -37.160 -24.783 9 HE2 LYS 75 1HE LYS 75 14.105 -38.251 -26.816 10 HE3 LYS 75 2HE LYS 75 14.767 -36.621 -27.039 11 HZ1 LYS 75 1HZ LYS 75 16.284 -39.028 -26.278 12 HZ3 LYS 75 2HZ LYS 75 16.931 -37.533 -26.538 13 HZ2 LYS 75 3HZ LYS 75 16.244 -38.363 -27.787 No H/Q in entry = 13 Start of MODEL 9 1 H ASP 76 H ASP 76 12.153 -36.325 -21.224 2 HA ASP 76 HA ASP 76 11.170 -33.841 -22.475 3 HB2 ASP 76 1HB ASP 76 9.797 -35.925 -22.345 4 HB3 ASP 76 2HB ASP 76 9.759 -35.773 -20.587 No H/Q in entry = 4 Start of MODEL 9 1 H GLU 77 H GLU 77 11.592 -31.933 -21.461 2 HA GLU 77 HA GLU 77 12.257 -31.921 -18.574 3 HB2 GLU 77 1HB GLU 77 13.368 -29.879 -18.930 4 HB3 GLU 77 2HB GLU 77 13.857 -31.005 -20.186 5 HG2 GLU 77 1HG GLU 77 13.624 -28.957 -21.291 6 HG3 GLU 77 2HG GLU 77 12.184 -29.868 -21.749 No H/Q in entry = 6 Start of MODEL 9 1 H TYR 78 H TYR 78 10.975 -31.013 -17.084 2 HA TYR 78 HA TYR 78 8.413 -29.793 -17.931 3 HB2 TYR 78 1HB TYR 78 9.333 -31.075 -15.367 4 HB3 TYR 78 2HB TYR 78 7.758 -30.319 -15.610 5 HD1 TYR 78 HD1 TYR 78 6.160 -31.200 -17.294 6 HD2 TYR 78 HD2 TYR 78 9.905 -33.193 -16.538 7 HE1 TYR 78 HE1 TYR 78 5.463 -33.089 -18.739 8 HE2 TYR 78 HE2 TYR 78 9.217 -35.048 -17.996 9 HH TYR 78 HH TYR 78 7.490 -35.968 -19.290 No H/Q in entry = 9 Start of MODEL 9 1 H ALA 79 H ALA 79 8.077 -27.683 -17.731 2 HA ALA 79 HA ALA 79 9.706 -26.057 -15.853 3 HB2 ALA 79 1HB ALA 79 9.211 -25.595 -18.830 4 HB3 ALA 79 2HB ALA 79 9.864 -24.367 -17.726 5 HB1 ALA 79 3HB ALA 79 10.773 -25.859 -18.027 No H/Q in entry = 5 Start of MODEL 9 1 H CYS 80 H CYS 80 8.315 -25.182 -14.466 2 HA CYS 80 HA CYS 80 5.603 -24.491 -15.294 3 HB2 CYS 80 1HB CYS 80 6.693 -25.223 -12.889 4 HB3 CYS 80 2HB CYS 80 6.474 -23.485 -12.665 No H/Q in entry = 4 Start of MODEL 9 1 H ARG 81 H ARG 81 5.231 -22.762 -16.440 2 HA ARG 81 HA ARG 81 7.270 -20.662 -16.788 3 HB2 ARG 81 1HB ARG 81 6.446 -21.824 -18.751 4 HB3 ARG 81 2HB ARG 81 4.775 -21.448 -18.308 5 HG2 ARG 81 1HG ARG 81 5.208 -19.038 -18.608 6 HG3 ARG 81 2HG ARG 81 6.890 -19.377 -19.021 7 HD2 ARG 81 1HD ARG 81 6.270 -20.419 -21.083 8 HD3 ARG 81 2HD ARG 81 4.606 -20.633 -20.565 9 HE ARG 81 HE ARG 81 4.094 -18.385 -20.851 10 HH12 ARG 81 HH11 ARG 81 7.559 -17.531 -22.784 11 HH11 ARG 81 HH12 ARG 81 7.449 -19.026 -21.891 12 HH21 ARG 81 HH21 ARG 81 4.298 -16.446 -21.983 13 HH22 ARG 81 HH22 ARG 81 5.780 -16.057 -22.826 No H/Q in entry = 13 Start of MODEL 9 1 H VAL 82 H VAL 82 6.916 -19.559 -14.773 2 HA VAL 82 HA VAL 82 4.162 -18.797 -14.065 3 HB VAL 82 HB VAL 82 6.758 -18.486 -12.526 4 HG12 VAL 82 HG11 VAL 82 5.218 -18.176 -10.604 5 HG13 VAL 82 HG12 VAL 82 5.017 -16.884 -11.797 6 HG11 VAL 82 HG13 VAL 82 3.833 -18.206 -11.715 7 HG23 VAL 82 HG21 VAL 82 5.846 -20.396 -11.200 8 HG21 VAL 82 HG22 VAL 82 4.573 -20.603 -12.418 9 HG22 VAL 82 HG23 VAL 82 6.276 -20.848 -12.850 No H/Q in entry = 9 Start of MODEL 9 1 H ASN 83 H ASN 83 3.623 -17.282 -15.592 2 HA ASN 83 HA ASN 83 4.992 -14.642 -15.524 3 HB2 ASN 83 1HB ASN 83 2.647 -15.759 -17.112 4 HB3 ASN 83 2HB ASN 83 3.057 -14.042 -17.076 5 HD21 ASN 83 HD21 ASN 83 5.196 -13.382 -17.880 6 HD22 ASN 83 HD22 ASN 83 5.978 -14.356 -19.107 No H/Q in entry = 6 Start of MODEL 9 1 H HIS 84 H HIS 84 3.780 -12.808 -14.820 2 HA HIS 84 HA HIS 84 1.387 -12.987 -13.232 3 HB2 HIS 84 1HB HIS 84 3.006 -14.121 -11.686 4 HB3 HIS 84 2HB HIS 84 4.082 -12.736 -11.831 5 HD2 HIS 84 HD2 HIS 84 0.280 -13.098 -10.658 6 HE1 HIS 84 HE1 HIS 84 2.356 -10.460 -8.101 7 HE2 HIS 84 HE2 HIS 84 0.104 -11.550 -8.562 No H/Q in entry = 7 Start of MODEL 9 1 H VAL 85 H VAL 85 0.955 -10.783 -12.247 2 HA VAL 85 HA VAL 85 1.407 -8.831 -14.196 3 HB VAL 85 HB VAL 85 -0.541 -8.947 -12.707 4 HG11 VAL 85 HG11 VAL 85 0.574 -9.330 -10.529 5 HG12 VAL 85 HG12 VAL 85 1.244 -7.686 -10.574 6 HG13 VAL 85 HG13 VAL 85 -0.502 -7.924 -10.489 7 HG23 VAL 85 HG21 VAL 85 0.852 -6.240 -12.626 8 HG21 VAL 85 HG22 VAL 85 0.003 -6.916 -14.033 9 HG22 VAL 85 HG23 VAL 85 -0.892 -6.556 -12.548 No H/Q in entry = 9 Start of MODEL 9 1 H THR 86 H THR 86 3.154 -9.340 -11.108 2 HA THR 86 HA THR 86 4.684 -6.918 -11.207 3 HB THR 86 HB THR 86 6.200 -8.068 -9.635 4 HG1 THR 86 HG1 THR 86 4.548 -10.315 -10.107 5 HG21 THR 86 HG21 THR 86 3.236 -8.422 -9.033 6 HG23 THR 86 HG22 THR 86 4.252 -7.002 -8.700 7 HG22 THR 86 HG23 THR 86 4.543 -8.522 -7.833 No H/Q in entry = 7 Start of MODEL 9 1 H LEU 87 H LEU 87 5.169 -10.193 -12.535 2 HA LEU 87 HA LEU 87 7.891 -9.696 -13.385 3 HB2 LEU 87 1HB LEU 87 5.965 -11.887 -14.227 4 HB3 LEU 87 2HB LEU 87 7.719 -11.894 -14.393 5 HG LEU 87 HG LEU 87 6.246 -11.886 -11.710 6 HD13 LEU 87 HD11 LEU 87 5.835 -13.945 -12.952 7 HD12 LEU 87 HD12 LEU 87 6.965 -14.265 -11.625 8 HD11 LEU 87 HD13 LEU 87 7.563 -14.115 -13.294 9 HD22 LEU 87 HD21 LEU 87 8.460 -10.896 -11.483 10 HD21 LEU 87 HD22 LEU 87 9.187 -12.200 -12.450 11 HD23 LEU 87 HD23 LEU 87 8.507 -12.546 -10.845 No H/Q in entry = 11 Start of MODEL 9 1 H SER 88 H SER 88 8.618 -9.046 -15.350 2 HA SER 88 HA SER 88 6.709 -8.348 -17.505 3 HB2 SER 88 1HB SER 88 8.513 -6.778 -17.039 4 HB3 SER 88 2HB SER 88 9.732 -8.047 -17.275 5 HG SER 88 HG SER 88 8.923 -8.251 -19.429 No H/Q in entry = 5 Start of MODEL 9 1 H GLN 89 H GLN 89 9.496 -10.486 -16.817 2 HA GLN 89 HA GLN 89 9.109 -11.970 -19.326 3 HB2 GLN 89 1HB GLN 89 11.284 -12.008 -17.199 4 HB3 GLN 89 2HB GLN 89 11.302 -12.991 -18.667 5 HG2 GLN 89 1HG GLN 89 11.164 -10.910 -20.050 6 HG3 GLN 89 2HG GLN 89 11.309 -9.943 -18.571 7 HE21 GLN 89 HE21 GLN 89 13.253 -10.689 -17.099 8 HE22 GLN 89 HE22 GLN 89 14.759 -10.974 -17.947 No H/Q in entry = 8 Start of MODEL 9 1 HA PRO 90 HA PRO 90 7.360 -15.563 -17.205 2 HB2 PRO 90 1HB PRO 90 8.304 -17.619 -18.737 3 HB3 PRO 90 2HB PRO 90 7.046 -16.495 -19.324 4 HG2 PRO 90 1HG PRO 90 10.016 -16.380 -19.882 5 HG3 PRO 90 2HG PRO 90 8.673 -16.249 -21.051 6 HD2 PRO 90 1HD PRO 90 9.892 -14.054 -20.070 7 HD3 PRO 90 2HD PRO 90 8.124 -14.065 -20.315 No H/Q in entry = 7 Start of MODEL 9 1 H LYS 91 H LYS 91 8.093 -16.451 -15.326 2 HA LYS 91 HA LYS 91 10.966 -16.984 -14.886 3 HB2 LYS 91 1HB LYS 91 8.456 -17.304 -13.235 4 HB3 LYS 91 2HB LYS 91 10.011 -17.943 -12.702 5 HG2 LYS 91 1HG LYS 91 9.632 -15.019 -13.459 6 HG3 LYS 91 2HG LYS 91 9.290 -15.643 -11.833 7 HD2 LYS 91 1HD LYS 91 11.626 -16.477 -11.664 8 HD3 LYS 91 2HD LYS 91 11.982 -15.786 -13.262 9 HE2 LYS 91 1HE LYS 91 11.392 -13.530 -12.422 10 HE3 LYS 91 2HE LYS 91 11.034 -14.217 -10.825 11 HZ3 LYS 91 1HZ LYS 91 13.210 -13.296 -10.902 12 HZ2 LYS 91 2HZ LYS 91 13.641 -14.261 -12.168 13 HZ1 LYS 91 3HZ LYS 91 13.309 -14.929 -10.698 No H/Q in entry = 13 Start of MODEL 9 1 H ILE 92 H ILE 92 11.370 -18.467 -16.543 2 HA ILE 92 HA ILE 92 9.849 -20.925 -16.874 3 HB ILE 92 HB ILE 92 12.635 -20.130 -17.820 4 HG13 ILE 92 HG12 ILE 92 11.722 -19.549 -19.941 5 HG23 ILE 92 HG21 ILE 92 12.362 -22.569 -17.867 6 HG21 ILE 92 HG22 ILE 92 10.819 -22.408 -18.716 7 HG22 ILE 92 HG23 ILE 92 12.331 -21.924 -19.511 8 HD12 ILE 92 HD11 ILE 92 9.267 -19.343 -20.317 9 HD13 ILE 92 HD12 ILE 92 9.817 -21.021 -20.231 10 HD11 ILE 92 HD13 ILE 92 8.982 -20.287 -18.845 11 HG12 ILE 92 HG11 ILE 92 10.893 -18.606 -18.712 No H/Q in entry = 11 Start of MODEL 9 1 H VAL 93 H VAL 93 9.729 -21.834 -14.786 2 HA VAL 93 HA VAL 93 12.097 -22.308 -13.189 3 HB VAL 93 HB VAL 93 9.346 -23.626 -13.030 4 HG13 VAL 93 HG11 VAL 93 10.861 -24.967 -11.734 5 HG11 VAL 93 HG12 VAL 93 11.727 -23.532 -11.126 6 HG12 VAL 93 HG13 VAL 93 10.093 -23.890 -10.576 7 HG21 VAL 93 HG21 VAL 93 10.497 -21.206 -11.582 8 HG22 VAL 93 HG22 VAL 93 9.176 -21.168 -12.762 9 HG23 VAL 93 HG23 VAL 93 8.935 -21.981 -11.222 No H/Q in entry = 9 Start of MODEL 9 1 H LYS 94 H LYS 94 12.922 -24.499 -12.726 2 HA LYS 94 HA LYS 94 12.569 -26.478 -14.940 3 HB2 LYS 94 1HB LYS 94 15.169 -25.785 -13.507 4 HB3 LYS 94 2HB LYS 94 14.916 -27.068 -14.709 5 HG2 LYS 94 1HG LYS 94 14.230 -25.308 -16.374 6 HG3 LYS 94 2HG LYS 94 14.625 -24.061 -15.171 7 HD2 LYS 94 1HD LYS 94 16.960 -24.906 -15.071 8 HD3 LYS 94 2HD LYS 94 16.565 -26.110 -16.320 9 HE2 LYS 94 1HE LYS 94 15.959 -24.272 -17.886 10 HE3 LYS 94 2HE LYS 94 16.349 -23.077 -16.632 11 HZ3 LYS 94 1HZ LYS 94 18.150 -23.333 -18.118 12 HZ2 LYS 94 2HZ LYS 94 18.222 -24.962 -17.872 13 HZ1 LYS 94 3HZ LYS 94 18.594 -23.925 -16.644 No H/Q in entry = 13 Start of MODEL 9 1 H TRP 95 H TRP 95 11.352 -27.971 -13.990 2 HA TRP 95 HA TRP 95 10.907 -28.504 -11.323 3 HB2 TRP 95 1HB TRP 95 9.526 -29.527 -13.005 4 HB3 TRP 95 2HB TRP 95 10.923 -30.270 -13.774 5 HD1 TRP 95 HD1 TRP 95 9.755 -30.552 -10.086 6 HE1 TRP 95 HE1 TRP 95 9.716 -33.046 -9.447 7 HE3 TRP 95 HE3 TRP 95 11.080 -32.553 -14.580 8 HZ2 TRP 95 HZ2 TRP 95 10.227 -35.571 -10.719 9 HZ3 TRP 95 HZ3 TRP 95 11.310 -35.016 -14.846 10 HH2 TRP 95 HH2 TRP 95 10.900 -36.520 -12.920 No H/Q in entry = 10 Start of MODEL 9 1 H ASP 96 H ASP 96 12.472 -28.796 -9.816 2 HA ASP 96 HA ASP 96 14.929 -30.267 -10.409 3 HB2 ASP 96 1HB ASP 96 13.942 -28.888 -7.895 4 HB3 ASP 96 2HB ASP 96 15.517 -29.679 -8.077 No H/Q in entry = 4 Start of MODEL 9 1 H ARG 97 H ARG 97 14.223 -32.316 -10.863 2 HA ARG 97 HA ARG 97 12.393 -33.847 -9.484 3 HB2 ARG 97 1HB ARG 97 13.338 -35.773 -10.526 4 HB3 ARG 97 2HB ARG 97 13.213 -34.440 -11.668 5 HG2 ARG 97 1HG ARG 97 15.834 -35.311 -10.351 6 HG3 ARG 97 2HG ARG 97 15.207 -35.894 -11.885 7 HD2 ARG 97 1HD ARG 97 16.605 -34.295 -12.667 8 HD3 ARG 97 2HD ARG 97 15.097 -33.373 -12.584 9 HE ARG 97 HE ARG 97 16.812 -33.282 -10.189 10 HH12 ARG 97 HH11 ARG 97 16.916 -30.204 -12.825 11 HH11 ARG 97 HH12 ARG 97 16.147 -31.694 -13.315 12 HH21 ARG 97 HH21 ARG 97 17.808 -31.358 -9.615 13 HH22 ARG 97 HH22 ARG 97 17.828 -29.991 -10.710 No H/Q in entry = 13 Start of MODEL 9 1 H ASP 98 H ASP 98 15.867 -33.471 -8.678 2 HA ASP 98 HA ASP 98 15.561 -35.274 -6.359 3 HB2 ASP 98 1HB ASP 98 17.929 -35.014 -6.063 4 HB3 ASP 98 2HB ASP 98 17.551 -35.487 -7.721 No H/Q in entry = 4 Start of MODEL 9 1 H MET 99 H MET 99 13.773 -33.453 -5.982 2 HA MET 99 HA MET 99 12.902 -32.166 -4.403 3 HB2 MET 99 1HB MET 99 15.600 -32.271 -2.985 4 HB3 MET 99 2HB MET 99 14.086 -31.665 -2.319 5 HG2 MET 99 1HG MET 99 13.030 -33.859 -2.596 6 HG3 MET 99 2HG MET 99 14.500 -34.507 -3.335 7 HE2 MET 99 1HE MET 99 14.260 -36.426 0.031 8 HE3 MET 99 2HE MET 99 12.882 -35.836 -0.925 9 HE1 MET 99 3HE MET 99 14.296 -36.538 -1.744 No H/Q in entry = 9 Start of MODEL 10 1 H1 MET 0 2H MET 0 1.118 -0.261 0.534 2 H2 MET 0 3H MET 0 1.894 0.418 -0.750 3 H3 MET 0 1H MET 0 0.290 0.724 -0.501 4 HA MET 0 HA MET 0 -0.248 -1.556 -0.844 5 HB2 MET 0 1HB MET 0 0.026 -1.608 -3.257 6 HB3 MET 0 2HB MET 0 -0.390 0.021 -2.712 7 HG2 MET 0 1HG MET 0 1.994 0.698 -2.917 8 HG3 MET 0 2HG MET 0 2.420 -0.944 -3.410 9 HE3 MET 0 1HE MET 0 -0.587 1.481 -4.552 10 HE1 MET 0 2HE MET 0 0.895 2.457 -4.389 11 HE2 MET 0 3HE MET 0 0.195 2.157 -5.995 No H/Q in entry = 11 Start of MODEL 10 1 H ILE 1 H ILE 1 0.456 -3.589 -1.946 2 HA ILE 1 HA ILE 1 3.271 -4.189 -2.059 3 HB ILE 1 HB ILE 1 3.170 -4.503 0.266 4 HG13 ILE 1 HG12 ILE 1 2.861 -7.270 -0.985 5 HG23 ILE 1 HG21 ILE 1 1.584 -5.896 1.474 6 HG21 ILE 1 HG22 ILE 1 0.760 -4.554 0.681 7 HG22 ILE 1 HG23 ILE 1 0.653 -6.192 0.000 8 HD11 ILE 1 HD11 ILE 1 5.314 -5.524 -0.479 9 HD12 ILE 1 HD12 ILE 1 5.349 -7.234 -0.956 10 HD13 ILE 1 HD13 ILE 1 4.695 -6.026 -2.073 11 HG12 ILE 1 HG11 ILE 1 3.539 -6.907 0.599 No H/Q in entry = 11 Start of MODEL 10 1 H GLN 2 H GLN 2 2.922 -4.634 -4.172 2 HA GLN 2 HA GLN 2 1.092 -6.802 -4.952 3 HB2 GLN 2 1HB GLN 2 3.170 -5.218 -6.507 4 HB3 GLN 2 2HB GLN 2 2.152 -6.518 -7.166 5 HG2 GLN 2 1HG GLN 2 0.118 -5.249 -6.681 6 HG3 GLN 2 2HG GLN 2 1.068 -3.961 -5.923 7 HE21 GLN 2 HE21 GLN 2 1.144 -5.833 -9.041 8 HE22 GLN 2 HE22 GLN 2 1.394 -4.426 -10.048 No H/Q in entry = 8 Start of MODEL 10 1 H ARG 3 H ARG 3 1.796 -8.423 -3.658 2 HA ARG 3 HA ARG 3 4.506 -9.269 -3.325 3 HB2 ARG 3 1HB ARG 3 2.366 -9.535 -1.819 4 HB3 ARG 3 2HB ARG 3 2.093 -11.009 -2.753 5 HG2 ARG 3 1HG ARG 3 4.418 -11.757 -2.103 6 HG3 ARG 3 2HG ARG 3 4.563 -10.291 -1.113 7 HD2 ARG 3 1HD ARG 3 2.590 -12.581 -0.739 8 HD3 ARG 3 2HD ARG 3 3.964 -12.173 0.303 9 HE ARG 3 HE ARG 3 2.348 -9.896 0.245 10 HH12 ARG 3 HH11 ARG 3 0.718 -12.927 2.410 11 HH11 ARG 3 HH12 ARG 3 1.994 -13.285 1.275 12 HH21 ARG 3 HH21 ARG 3 0.683 -9.457 1.741 13 HH22 ARG 3 HH22 ARG 3 -0.017 -10.751 2.687 No H/Q in entry = 13 Start of MODEL 10 1 H THR 4 H THR 4 5.571 -11.047 -4.202 2 HA THR 4 HA THR 4 4.725 -11.850 -6.871 3 HB THR 4 HB THR 4 7.009 -12.796 -6.987 4 HG1 THR 4 HG1 THR 4 7.209 -11.940 -4.292 5 HG23 THR 4 HG21 THR 4 8.294 -10.750 -6.769 6 HG22 THR 4 HG22 THR 4 7.065 -10.020 -5.720 7 HG21 THR 4 HG23 THR 4 6.694 -10.361 -7.426 No H/Q in entry = 7 Start of MODEL 10 1 HA PRO 5 HA PRO 5 3.487 -16.036 -5.625 2 HB2 PRO 5 1HB PRO 5 4.170 -17.484 -7.874 3 HB3 PRO 5 2HB PRO 5 2.730 -16.444 -7.779 4 HG2 PRO 5 1HG PRO 5 5.431 -15.791 -8.949 5 HG3 PRO 5 2HG PRO 5 3.821 -15.453 -9.653 6 HD2 PRO 5 1HD PRO 5 5.239 -13.543 -8.355 7 HD3 PRO 5 2HD PRO 5 3.465 -13.634 -8.179 No H/Q in entry = 7 Start of MODEL 10 1 H LYS 6 H LYS 6 4.550 -17.501 -4.403 2 HA LYS 6 HA LYS 6 7.503 -17.710 -4.464 3 HB2 LYS 6 1HB LYS 6 5.314 -18.536 -2.560 4 HB3 LYS 6 2HB LYS 6 6.941 -19.206 -2.439 5 HG2 LYS 6 1HG LYS 6 6.608 -17.331 -0.915 6 HG3 LYS 6 2HG LYS 6 7.923 -17.043 -2.060 7 HD2 LYS 6 1HD LYS 6 6.667 -15.483 -3.317 8 HD3 LYS 6 2HD LYS 6 5.130 -15.945 -2.558 9 HE2 LYS 6 1HE LYS 6 7.395 -14.738 -0.938 10 HE3 LYS 6 2HE LYS 6 6.222 -13.739 -1.814 11 HZ3 LYS 6 1HZ LYS 6 4.472 -14.764 -0.615 12 HZ2 LYS 6 2HZ LYS 6 5.556 -14.094 0.431 13 HZ1 LYS 6 3HZ LYS 6 5.519 -15.729 0.215 No H/Q in entry = 13 Start of MODEL 10 1 H ILE 7 H ILE 7 8.239 -19.108 -5.954 2 HA ILE 7 HA ILE 7 6.763 -21.224 -7.157 3 HB ILE 7 HB ILE 7 9.604 -20.195 -7.182 4 HG13 ILE 7 HG12 ILE 7 7.571 -20.713 -9.402 5 HG23 ILE 7 HG21 ILE 7 10.022 -22.591 -7.256 6 HG21 ILE 7 HG22 ILE 7 8.773 -22.789 -8.506 7 HG22 ILE 7 HG23 ILE 7 10.264 -21.888 -8.846 8 HD11 ILE 7 HD11 ILE 7 8.375 -18.089 -8.072 9 HD12 ILE 7 HD12 ILE 7 7.492 -18.231 -9.606 10 HD13 ILE 7 HD13 ILE 7 6.742 -18.809 -8.114 11 HG12 ILE 7 HG11 ILE 7 9.153 -19.937 -9.574 No H/Q in entry = 11 Start of MODEL 10 1 H GLN 8 H GLN 8 6.735 -23.410 -6.829 2 HA GLN 8 HA GLN 8 8.732 -24.767 -5.323 3 HB2 GLN 8 1HB GLN 8 6.926 -23.702 -3.609 4 HB3 GLN 8 2HB GLN 8 6.062 -25.178 -3.962 5 HG2 GLN 8 1HG GLN 8 8.958 -24.990 -2.988 6 HG3 GLN 8 2HG GLN 8 7.549 -25.249 -1.963 7 HE21 GLN 8 HE21 GLN 8 9.533 -26.717 -4.555 8 HE22 GLN 8 HE22 GLN 8 9.042 -28.363 -4.230 No H/Q in entry = 8 Start of MODEL 10 1 H VAL 9 H VAL 9 8.837 -25.682 -7.424 2 HA VAL 9 HA VAL 9 6.551 -27.257 -8.435 3 HB VAL 9 HB VAL 9 9.203 -26.580 -9.656 4 HG12 VAL 9 HG11 VAL 9 8.143 -27.287 -11.793 5 HG13 VAL 9 HG12 VAL 9 8.258 -28.641 -10.668 6 HG11 VAL 9 HG13 VAL 9 6.703 -27.819 -10.901 7 HG23 VAL 9 HG21 VAL 9 6.420 -25.461 -10.182 8 HG21 VAL 9 HG22 VAL 9 7.719 -24.580 -9.362 9 HG22 VAL 9 HG23 VAL 9 7.881 -25.026 -11.071 No H/Q in entry = 9 Start of MODEL 10 1 H TYR 10 H TYR 10 6.603 -28.966 -7.001 2 HA TYR 10 HA TYR 10 8.914 -30.851 -7.048 3 HB2 TYR 10 1HB TYR 10 7.890 -31.889 -5.157 4 HB3 TYR 10 2HB TYR 10 8.240 -30.191 -4.916 5 HD1 TYR 10 HD1 TYR 10 6.372 -28.507 -4.911 6 HD2 TYR 10 HD2 TYR 10 5.638 -32.749 -4.909 7 HE1 TYR 10 HE1 TYR 10 4.134 -28.113 -3.931 8 HE2 TYR 10 HE2 TYR 10 3.402 -32.360 -3.937 9 HH TYR 10 HH TYR 10 2.179 -29.058 -3.209 No H/Q in entry = 9 Start of MODEL 10 1 H SER 11 H SER 11 8.586 -33.079 -7.556 2 HA SER 11 HA SER 11 6.116 -33.887 -8.964 3 HB2 SER 11 1HB SER 11 7.306 -36.007 -9.271 4 HB3 SER 11 2HB SER 11 8.167 -34.609 -9.919 5 HG SER 11 HG SER 11 8.675 -35.822 -7.406 No H/Q in entry = 5 Start of MODEL 10 1 H ARG 12 H ARG 12 4.420 -34.647 -7.720 2 HA ARG 12 HA ARG 12 4.608 -35.222 -4.919 3 HB2 ARG 12 1HB ARG 12 2.539 -34.528 -6.135 4 HB3 ARG 12 2HB ARG 12 2.494 -36.101 -6.924 5 HG2 ARG 12 1HG ARG 12 1.011 -36.417 -5.174 6 HG3 ARG 12 2HG ARG 12 2.495 -37.054 -4.460 7 HD2 ARG 12 1HD ARG 12 1.360 -35.630 -2.859 8 HD3 ARG 12 2HD ARG 12 2.856 -34.817 -3.356 9 HE ARG 12 HE ARG 12 0.806 -33.932 -5.080 10 HH12 ARG 12 HH11 ARG 12 0.771 -32.179 -1.418 11 HH11 ARG 12 HH12 ARG 12 1.559 -33.726 -1.613 12 HH21 ARG 12 HH21 ARG 12 -0.141 -31.895 -4.823 13 HH22 ARG 12 HH22 ARG 12 -0.220 -31.142 -3.247 No H/Q in entry = 13 Start of MODEL 10 1 H HIS 13 H HIS 13 4.106 -37.353 -7.779 2 HA HIS 13 HA HIS 13 4.795 -39.767 -6.282 3 HB2 HIS 13 1HB HIS 13 4.034 -39.185 -9.163 4 HB3 HIS 13 2HB HIS 13 4.509 -40.792 -8.592 5 HD1 HIS 13 HD1 HIS 13 2.374 -38.665 -6.321 6 HD2 HIS 13 HD2 HIS 13 1.896 -41.762 -9.108 7 HE1 HIS 13 HE1 HIS 13 0.022 -39.577 -6.045 No H/Q in entry = 7 Start of MODEL 10 1 HA PRO 14 HA PRO 14 9.110 -39.217 -7.216 2 HB2 PRO 14 1HB PRO 14 10.118 -41.741 -6.850 3 HB3 PRO 14 2HB PRO 14 9.550 -40.695 -5.519 4 HG2 PRO 14 1HG PRO 14 8.025 -42.910 -6.901 5 HG3 PRO 14 2HG PRO 14 8.190 -42.614 -5.147 6 HD2 PRO 14 1HD PRO 14 6.006 -41.783 -6.563 7 HD3 PRO 14 2HD PRO 14 6.670 -40.805 -5.218 No H/Q in entry = 7 Start of MODEL 10 1 H ALA 15 H ALA 15 9.893 -38.866 -9.174 2 HA ALA 15 HA ALA 15 8.755 -39.835 -11.544 3 HB2 ALA 15 1HB ALA 15 11.352 -38.352 -11.037 4 HB3 ALA 15 2HB ALA 15 10.601 -38.592 -12.632 5 HB1 ALA 15 3HB ALA 15 9.744 -37.671 -11.380 No H/Q in entry = 5 Start of MODEL 10 1 H GLU 16 H GLU 16 8.805 -42.056 -11.714 2 HA GLU 16 HA GLU 16 11.361 -43.502 -11.847 3 HB2 GLU 16 1HB GLU 16 9.247 -44.411 -10.844 4 HB3 GLU 16 2HB GLU 16 8.545 -44.455 -12.463 5 HG2 GLU 16 1HG GLU 16 11.092 -45.914 -11.603 6 HG3 GLU 16 2HG GLU 16 9.478 -46.631 -11.578 No H/Q in entry = 6 Start of MODEL 10 1 H ASN 17 H ASN 17 12.362 -43.984 -13.729 2 HA ASN 17 HA ASN 17 12.222 -42.424 -15.995 3 HB2 ASN 17 1HB ASN 17 14.134 -43.761 -15.329 4 HB3 ASN 17 2HB ASN 17 13.252 -45.265 -15.596 5 HD21 ASN 17 HD21 ASN 17 12.399 -45.553 -17.956 6 HD22 ASN 17 HD22 ASN 17 13.535 -45.114 -19.216 No H/Q in entry = 6 Start of MODEL 10 1 H GLY 18 H GLY 18 10.416 -42.160 -17.256 2 HA3 GLY 18 1HA GLY 18 8.893 -42.663 -18.885 3 HA2 GLY 18 2HA GLY 18 9.623 -44.271 -19.015 No H/Q in entry = 3 Start of MODEL 10 1 H LYS 19 H LYS 19 7.617 -42.351 -16.729 2 HA LYS 19 HA LYS 19 5.547 -44.411 -16.593 3 HB2 LYS 19 1HB LYS 19 7.378 -45.073 -14.975 4 HB3 LYS 19 2HB LYS 19 7.068 -43.575 -14.080 5 HG2 LYS 19 1HG LYS 19 4.759 -44.334 -13.629 6 HG3 LYS 19 2HG LYS 19 5.031 -45.778 -14.633 7 HD2 LYS 19 1HD LYS 19 6.859 -46.470 -13.050 8 HD3 LYS 19 2HD LYS 19 6.435 -45.094 -12.011 9 HE2 LYS 19 1HE LYS 19 4.536 -47.343 -12.801 10 HE3 LYS 19 2HE LYS 19 5.430 -47.251 -11.273 11 HZ3 LYS 19 1HZ LYS 19 3.219 -46.422 -11.039 12 HZ2 LYS 19 2HZ LYS 19 3.467 -45.282 -12.205 13 HZ1 LYS 19 3HZ LYS 19 4.312 -45.212 -10.791 No H/Q in entry = 13 Start of MODEL 10 1 H SER 20 H SER 20 3.631 -43.556 -15.498 2 HA SER 20 HA SER 20 3.230 -40.731 -15.930 3 HB2 SER 20 1HB SER 20 1.483 -42.869 -14.644 4 HB3 SER 20 2HB SER 20 0.941 -41.252 -15.124 5 HG SER 20 HG SER 20 2.025 -43.244 -16.834 No H/Q in entry = 5 Start of MODEL 10 1 H ASN 21 H ASN 21 3.310 -39.073 -14.465 2 HA ASN 21 HA ASN 21 3.323 -39.571 -11.549 3 HB2 ASN 21 1HB ASN 21 5.550 -38.177 -13.104 4 HB3 ASN 21 2HB ASN 21 5.352 -38.067 -11.357 5 HD21 ASN 21 HD21 ASN 21 5.818 -39.862 -10.018 6 HD22 ASN 21 HD22 ASN 21 6.709 -41.246 -10.605 No H/Q in entry = 6 Start of MODEL 10 1 H PHE 22 H PHE 22 3.039 -37.566 -10.336 2 HA PHE 22 HA PHE 22 1.511 -35.506 -11.836 3 HB2 PHE 22 1HB PHE 22 1.544 -36.343 -8.956 4 HB3 PHE 22 2HB PHE 22 0.639 -34.971 -9.597 5 HD1 PHE 22 HD1 PHE 22 0.979 -38.670 -9.669 6 HD2 PHE 22 HD2 PHE 22 -1.323 -35.290 -11.022 7 HE1 PHE 22 HE1 PHE 22 -0.797 -40.202 -10.472 8 HE2 PHE 22 HE2 PHE 22 -3.115 -36.819 -11.790 9 HZ PHE 22 HZ PHE 22 -2.848 -39.279 -11.532 No H/Q in entry = 9 Start of MODEL 10 1 H LEU 23 H LEU 23 2.622 -33.682 -12.333 2 HA LEU 23 HA LEU 23 4.813 -32.622 -10.681 3 HB2 LEU 23 1HB LEU 23 4.668 -32.524 -13.275 4 HB3 LEU 23 2HB LEU 23 3.358 -31.379 -13.037 5 HG LEU 23 HG LEU 23 5.043 -29.909 -11.773 6 HD12 LEU 23 HD11 LEU 23 7.438 -30.373 -12.269 7 HD11 LEU 23 HD12 LEU 23 6.997 -31.936 -12.977 8 HD13 LEU 23 HD13 LEU 23 6.749 -31.638 -11.243 9 HD23 LEU 23 HD21 LEU 23 6.109 -29.147 -13.891 10 HD22 LEU 23 HD22 LEU 23 4.372 -29.451 -14.067 11 HD21 LEU 23 HD23 LEU 23 5.543 -30.631 -14.690 No H/Q in entry = 11 Start of MODEL 10 1 H ASN 24 H ASN 24 4.572 -30.604 -9.511 2 HA ASN 24 HA ASN 24 1.790 -29.614 -9.037 3 HB2 ASN 24 1HB ASN 24 3.700 -30.830 -7.007 4 HB3 ASN 24 2HB ASN 24 2.355 -29.782 -6.569 5 HD21 ASN 24 HD21 ASN 24 3.149 -32.855 -8.280 6 HD22 ASN 24 HD22 ASN 24 1.617 -33.629 -7.946 No H/Q in entry = 6 Start of MODEL 10 1 H CYS 25 H CYS 25 2.402 -27.724 -10.108 2 HA CYS 25 HA CYS 25 4.584 -26.078 -9.038 3 HB2 CYS 25 1HB CYS 25 4.096 -26.119 -11.426 4 HB3 CYS 25 2HB CYS 25 2.485 -25.454 -11.145 No H/Q in entry = 4 Start of MODEL 10 1 H TYR 26 H TYR 26 4.072 -25.796 -6.906 2 HA TYR 26 HA TYR 26 1.428 -24.788 -6.115 3 HB2 TYR 26 1HB TYR 26 2.444 -26.678 -4.988 4 HB3 TYR 26 2HB TYR 26 3.849 -25.718 -4.553 5 HD1 TYR 26 HD1 TYR 26 3.850 -24.435 -2.532 6 HD2 TYR 26 HD2 TYR 26 0.141 -26.005 -4.075 7 HE1 TYR 26 HE1 TYR 26 2.733 -23.900 -0.394 8 HE2 TYR 26 HE2 TYR 26 -0.968 -25.499 -1.926 9 HH TYR 26 HH TYR 26 0.760 -23.889 0.780 No H/Q in entry = 9 Start of MODEL 10 1 H VAL 27 H VAL 27 1.366 -22.665 -6.784 2 HA VAL 27 HA VAL 27 3.590 -20.835 -6.120 3 HB VAL 27 HB VAL 27 2.677 -19.381 -7.776 4 HG11 VAL 27 HG11 VAL 27 4.303 -21.150 -8.379 5 HG12 VAL 27 HG12 VAL 27 2.953 -22.240 -8.762 6 HG13 VAL 27 HG13 VAL 27 3.203 -20.767 -9.713 7 HG23 VAL 27 HG21 VAL 27 0.938 -20.378 -9.367 8 HG21 VAL 27 HG22 VAL 27 0.447 -21.426 -8.029 9 HG22 VAL 27 HG23 VAL 27 0.330 -19.662 -7.884 No H/Q in entry = 9 Start of MODEL 10 1 H SER 28 H SER 28 3.289 -20.089 -4.024 2 HA SER 28 HA SER 28 0.561 -19.361 -3.135 3 HB2 SER 28 1HB SER 28 1.480 -19.542 -0.909 4 HB3 SER 28 2HB SER 28 1.786 -21.000 -1.873 5 HG SER 28 HG SER 28 3.634 -20.416 -0.768 No H/Q in entry = 5 Start of MODEL 10 1 H GLY 29 H GLY 29 -0.032 -17.370 -2.401 2 HA3 GLY 29 1HA GLY 29 0.076 -15.252 -1.617 3 HA2 GLY 29 2HA GLY 29 1.778 -15.541 -1.265 No H/Q in entry = 3 Start of MODEL 10 1 H PHE 30 H PHE 30 0.028 -15.359 -4.425 2 HA PHE 30 HA PHE 30 1.691 -13.051 -5.231 3 HB2 PHE 30 1HB PHE 30 0.780 -13.434 -7.424 4 HB3 PHE 30 2HB PHE 30 1.697 -14.745 -6.732 5 HD1 PHE 30 HD1 PHE 30 0.666 -16.911 -6.172 6 HD2 PHE 30 HD2 PHE 30 -1.634 -13.691 -7.887 7 HE1 PHE 30 HE1 PHE 30 -1.236 -18.457 -6.577 8 HE2 PHE 30 HE2 PHE 30 -3.578 -15.221 -8.134 9 HZ PHE 30 HZ PHE 30 -3.389 -17.570 -7.420 No H/Q in entry = 9 Start of MODEL 10 1 H HIS 31 H HIS 31 0.877 -11.141 -4.537 2 HA HIS 31 HA HIS 31 -2.033 -10.809 -4.118 3 HB2 HIS 31 1HB HIS 31 0.328 -9.283 -3.100 4 HB3 HIS 31 2HB HIS 31 -1.314 -8.673 -3.004 5 HD1 HIS 31 HD1 HIS 31 -2.122 -8.962 -0.708 6 HD2 HIS 31 HD2 HIS 31 0.032 -12.301 -2.026 7 HE1 HIS 31 HE1 HIS 31 -2.372 -10.767 1.061 No H/Q in entry = 7 Start of MODEL 10 1 HA PRO 32 HA PRO 32 -3.686 -9.323 -4.300 2 HB2 PRO 32 1HB PRO 32 -5.730 -8.678 -5.951 3 HB3 PRO 32 2HB PRO 32 -4.712 -7.474 -5.115 4 HG2 PRO 32 1HG PRO 32 -4.509 -8.389 -7.977 5 HG3 PRO 32 2HG PRO 32 -4.387 -6.733 -7.339 6 HD2 PRO 32 1HD PRO 32 -2.173 -8.316 -7.929 7 HD3 PRO 32 2HD PRO 32 -2.162 -7.039 -6.684 No H/Q in entry = 7 Start of MODEL 10 1 H SER 33 H SER 33 -4.067 -10.307 -7.810 2 HA SER 33 HA SER 33 -3.838 -13.074 -7.214 3 HB2 SER 33 1HB SER 33 -6.170 -13.812 -7.622 4 HB3 SER 33 2HB SER 33 -6.054 -12.866 -6.151 5 HG SER 33 HG SER 33 -7.800 -12.243 -7.499 No H/Q in entry = 5 Start of MODEL 10 1 H ASP 34 H ASP 34 -2.673 -11.347 -9.149 2 HA ASP 34 HA ASP 34 -4.240 -11.629 -11.643 3 HB2 ASP 34 1HB ASP 34 -1.729 -10.028 -11.074 4 HB3 ASP 34 2HB ASP 34 -2.829 -9.888 -12.463 No H/Q in entry = 4 Start of MODEL 10 1 H ILE 35 H ILE 35 -3.264 -14.143 -11.048 2 HA ILE 35 HA ILE 35 -0.576 -14.394 -12.207 3 HB ILE 35 HB ILE 35 -1.228 -15.454 -10.028 4 HG13 ILE 35 HG12 ILE 35 0.791 -15.952 -11.327 5 HG23 ILE 35 HG21 ILE 35 -2.428 -17.573 -10.024 6 HG21 ILE 35 HG22 ILE 35 -3.456 -16.392 -10.838 7 HG22 ILE 35 HG23 ILE 35 -2.533 -17.582 -11.786 8 HD13 ILE 35 HD11 ILE 35 1.347 -18.078 -10.312 9 HD11 ILE 35 HD12 ILE 35 0.490 -17.041 -9.165 10 HD12 ILE 35 HD13 ILE 35 -0.355 -18.399 -9.947 11 HG12 ILE 35 HG11 ILE 35 -0.061 -17.266 -12.150 No H/Q in entry = 11 Start of MODEL 10 1 H GLU 36 H GLU 36 0.027 -15.625 -13.942 2 HA GLU 36 HA GLU 36 -2.024 -17.145 -15.464 3 HB2 GLU 36 1HB GLU 36 0.177 -15.453 -16.666 4 HB3 GLU 36 2HB GLU 36 -0.991 -16.431 -17.549 5 HG2 GLU 36 1HG GLU 36 -1.527 -13.889 -15.940 6 HG3 GLU 36 2HG GLU 36 -1.551 -14.068 -17.693 No H/Q in entry = 6 Start of MODEL 10 1 H VAL 37 H VAL 37 -1.332 -19.091 -14.655 2 HA VAL 37 HA VAL 37 1.524 -19.859 -14.811 3 HB VAL 37 HB VAL 37 -0.808 -21.440 -13.728 4 HG11 VAL 37 HG11 VAL 37 2.211 -21.714 -13.459 5 HG12 VAL 37 HG12 VAL 37 1.017 -22.703 -12.589 6 HG13 VAL 37 HG13 VAL 37 1.151 -22.825 -14.348 7 HG23 VAL 37 HG21 VAL 37 0.287 -20.722 -11.521 8 HG21 VAL 37 HG22 VAL 37 1.160 -19.494 -12.451 9 HG22 VAL 37 HG23 VAL 37 -0.625 -19.470 -12.379 No H/Q in entry = 9 Start of MODEL 10 1 H ASP 38 H ASP 38 1.934 -20.113 -16.960 2 HA ASP 38 HA ASP 38 0.175 -21.760 -18.689 3 HB2 ASP 38 1HB ASP 38 2.610 -20.087 -19.348 4 HB3 ASP 38 2HB ASP 38 1.460 -20.783 -20.495 No H/Q in entry = 4 Start of MODEL 10 1 H LEU 39 H LEU 39 1.381 -23.496 -16.875 2 HA LEU 39 HA LEU 39 4.077 -24.071 -17.398 3 HB2 LEU 39 1HB LEU 39 3.857 -25.923 -15.903 4 HB3 LEU 39 2HB LEU 39 2.890 -24.573 -15.319 5 HG LEU 39 HG LEU 39 1.096 -25.975 -16.942 6 HD13 LEU 39 HD11 LEU 39 1.272 -28.315 -16.402 7 HD12 LEU 39 HD12 LEU 39 2.677 -28.040 -15.349 8 HD11 LEU 39 HD13 LEU 39 2.825 -27.831 -17.100 9 HD23 LEU 39 HD21 LEU 39 0.172 -26.825 -14.729 10 HD22 LEU 39 HD22 LEU 39 0.518 -25.086 -14.742 11 HD21 LEU 39 HD23 LEU 39 1.632 -26.210 -13.933 No H/Q in entry = 11 Start of MODEL 10 1 H LEU 40 H LEU 40 5.079 -25.991 -18.049 2 HA LEU 40 HA LEU 40 4.024 -26.905 -20.686 3 HB2 LEU 40 1HB LEU 40 6.844 -26.031 -19.998 4 HB3 LEU 40 2HB LEU 40 6.186 -26.345 -21.608 5 HG LEU 40 HG LEU 40 5.410 -24.026 -19.765 6 HD12 LEU 40 HD11 LEU 40 6.614 -22.638 -21.396 7 HD11 LEU 40 HD12 LEU 40 7.120 -24.098 -22.274 8 HD13 LEU 40 HD13 LEU 40 7.680 -23.817 -20.611 9 HD21 LEU 40 HD21 LEU 40 4.571 -24.637 -22.636 10 HD23 LEU 40 HD22 LEU 40 4.237 -23.128 -21.755 11 HD22 LEU 40 HD23 LEU 40 3.517 -24.638 -21.215 No H/Q in entry = 11 Start of MODEL 10 1 H LYS 41 H LYS 41 5.037 -28.711 -21.622 2 HA LYS 41 HA LYS 41 6.878 -30.336 -19.979 3 HB2 LYS 41 1HB LYS 41 5.986 -32.378 -20.941 4 HB3 LYS 41 2HB LYS 41 4.854 -31.582 -19.834 5 HG2 LYS 41 1HG LYS 41 3.644 -30.720 -21.907 6 HG3 LYS 41 2HG LYS 41 4.676 -31.777 -22.873 7 HD2 LYS 41 1HD LYS 41 2.747 -32.620 -20.679 8 HD3 LYS 41 2HD LYS 41 2.527 -32.827 -22.419 9 HE2 LYS 41 1HE LYS 41 4.544 -34.243 -20.631 10 HE3 LYS 41 2HE LYS 41 3.140 -34.940 -21.429 11 HZ1 LYS 41 1HZ LYS 41 5.472 -33.820 -22.816 12 HZ3 LYS 41 2HZ LYS 41 4.163 -34.525 -23.531 13 HZ2 LYS 41 3HZ LYS 41 5.168 -35.421 -22.581 No H/Q in entry = 13 Start of MODEL 10 1 H ASN 42 H ASN 42 8.709 -29.775 -20.946 2 HA ASN 42 HA ASN 42 10.262 -29.291 -22.480 3 HB2 ASN 42 1HB ASN 42 9.925 -31.767 -22.668 4 HB3 ASN 42 2HB ASN 42 8.912 -31.502 -24.090 5 HD21 ASN 42 HD21 ASN 42 12.150 -30.563 -22.766 6 HD22 ASN 42 HD22 ASN 42 13.017 -30.768 -24.272 No H/Q in entry = 6 Start of MODEL 10 1 H GLY 43 H GLY 43 8.539 -27.341 -22.573 2 HA3 GLY 43 1HA GLY 43 8.331 -25.499 -23.949 3 HA2 GLY 43 2HA GLY 43 8.586 -26.475 -25.391 No H/Q in entry = 3 Start of MODEL 10 1 H GLU 44 H GLU 44 6.410 -28.483 -24.451 2 HA GLU 44 HA GLU 44 4.286 -27.043 -25.857 3 HB2 GLU 44 1HB GLU 44 4.402 -29.927 -24.898 4 HB3 GLU 44 2HB GLU 44 3.272 -29.233 -26.064 5 HG2 GLU 44 1HG GLU 44 6.291 -29.536 -26.444 6 HG3 GLU 44 2HG GLU 44 5.031 -30.530 -27.174 No H/Q in entry = 6 Start of MODEL 10 1 H ARG 45 H ARG 45 2.605 -26.057 -24.836 2 HA ARG 45 HA ARG 45 2.168 -26.280 -22.004 3 HB2 ARG 45 1HB ARG 45 1.686 -24.280 -23.444 4 HB3 ARG 45 2HB ARG 45 0.304 -25.158 -24.118 5 HG2 ARG 45 1HG ARG 45 -0.592 -25.398 -21.745 6 HG3 ARG 45 2HG ARG 45 0.752 -24.386 -21.191 7 HD2 ARG 45 1HD ARG 45 -1.430 -23.578 -23.161 8 HD3 ARG 45 2HD ARG 45 -1.335 -23.129 -21.446 9 HE ARG 45 HE ARG 45 1.056 -22.390 -22.898 10 HH12 ARG 45 HH11 ARG 45 -1.910 -19.650 -22.461 11 HH11 ARG 45 HH12 ARG 45 -2.287 -21.343 -22.265 12 HH21 ARG 45 HH21 ARG 45 1.503 -20.181 -23.192 13 HH22 ARG 45 HH22 ARG 45 0.236 -18.989 -23.006 No H/Q in entry = 13 Start of MODEL 10 1 H ILE 46 H ILE 46 0.709 -27.503 -20.861 2 HA ILE 46 HA ILE 46 -0.668 -29.710 -22.256 3 HB ILE 46 HB ILE 46 -0.516 -29.056 -19.280 4 HG13 ILE 46 HG12 ILE 46 1.157 -30.888 -21.050 5 HG22 ILE 46 HG21 ILE 46 -1.396 -31.563 -20.781 6 HG23 ILE 46 HG22 ILE 46 -1.309 -31.378 -19.020 7 HG21 ILE 46 HG23 ILE 46 -2.478 -30.438 -19.937 8 HD12 ILE 46 HD11 ILE 46 2.974 -30.026 -19.428 9 HD13 ILE 46 HD12 ILE 46 2.408 -28.859 -20.623 10 HD11 ILE 46 HD13 ILE 46 1.813 -28.775 -18.951 11 HG12 ILE 46 HG11 ILE 46 0.962 -31.163 -19.313 No H/Q in entry = 11 Start of MODEL 10 1 H GLU 47 H GLU 47 -2.713 -29.325 -23.026 2 HA GLU 47 HA GLU 47 -4.304 -27.048 -22.042 3 HB2 GLU 47 1HB GLU 47 -4.658 -29.071 -24.279 4 HB3 GLU 47 2HB GLU 47 -5.934 -27.945 -23.801 5 HG2 GLU 47 1HG GLU 47 -4.728 -27.017 -25.666 6 HG3 GLU 47 2HG GLU 47 -4.527 -26.013 -24.229 No H/Q in entry = 6 Start of MODEL 10 1 H LYS 48 H LYS 48 -3.829 -28.580 -19.943 2 HA LYS 48 HA LYS 48 -6.366 -29.101 -18.882 3 HB2 LYS 48 1HB LYS 48 -6.162 -31.266 -20.194 4 HB3 LYS 48 2HB LYS 48 -4.722 -31.649 -19.250 5 HG2 LYS 48 1HG LYS 48 -6.203 -31.419 -17.158 6 HG3 LYS 48 2HG LYS 48 -7.576 -31.208 -18.247 7 HD2 LYS 48 1HD LYS 48 -7.217 -33.432 -19.192 8 HD3 LYS 48 2HD LYS 48 -5.737 -33.650 -18.242 9 HE2 LYS 48 1HE LYS 48 -8.509 -33.233 -17.034 10 HE3 LYS 48 2HE LYS 48 -7.748 -34.815 -17.282 11 HZ2 LYS 48 1HZ LYS 48 -6.674 -32.672 -15.592 12 HZ1 LYS 48 2HZ LYS 48 -5.986 -34.149 -15.830 13 HZ3 LYS 48 3HZ LYS 48 -7.438 -34.027 -15.064 No H/Q in entry = 13 Start of MODEL 10 1 H VAL 49 H VAL 49 -4.772 -27.340 -17.966 2 HA VAL 49 HA VAL 49 -3.067 -28.400 -15.796 3 HB VAL 49 HB VAL 49 -3.954 -25.601 -16.530 4 HG11 VAL 49 HG11 VAL 49 -2.130 -26.581 -14.300 5 HG12 VAL 49 HG12 VAL 49 -2.226 -24.891 -14.849 6 HG13 VAL 49 HG13 VAL 49 -3.651 -25.675 -14.153 7 HG21 VAL 49 HG21 VAL 49 -1.266 -27.043 -16.771 8 HG22 VAL 49 HG22 VAL 49 -2.320 -26.565 -18.114 9 HG23 VAL 49 HG23 VAL 49 -1.540 -25.323 -17.125 No H/Q in entry = 9 Start of MODEL 10 1 H GLU 50 H GLU 50 -3.895 -28.922 -13.859 2 HA GLU 50 HA GLU 50 -6.780 -28.417 -13.284 3 HB2 GLU 50 1HB GLU 50 -4.815 -30.316 -11.973 4 HB3 GLU 50 2HB GLU 50 -6.535 -30.167 -11.598 5 HG2 GLU 50 1HG GLU 50 -7.135 -30.865 -13.879 6 HG3 GLU 50 2HG GLU 50 -5.425 -30.995 -14.322 No H/Q in entry = 6 Start of MODEL 10 1 H HIS 51 H HIS 51 -7.164 -28.081 -10.825 2 HA HIS 51 HA HIS 51 -5.207 -26.353 -9.488 3 HB2 HIS 51 1HB HIS 51 -6.861 -24.431 -9.525 4 HB3 HIS 51 2HB HIS 51 -5.994 -24.741 -11.029 5 HD1 HIS 51 HD1 HIS 51 -7.336 -25.656 -13.067 6 HD2 HIS 51 HD2 HIS 51 -9.665 -24.943 -9.656 7 HE1 HIS 51 HE1 HIS 51 -9.772 -25.750 -13.781 No H/Q in entry = 7 Start of MODEL 10 1 H SER 52 H SER 52 -5.847 -25.815 -7.364 2 HA SER 52 HA SER 52 -8.180 -27.342 -6.257 3 HB2 SER 52 1HB SER 52 -5.458 -26.830 -4.992 4 HB3 SER 52 2HB SER 52 -6.837 -27.640 -4.221 5 HG SER 52 HG SER 52 -5.389 -29.131 -5.116 No H/Q in entry = 5 Start of MODEL 10 1 H ASP 53 H ASP 53 -8.564 -24.845 -7.293 2 HA ASP 53 HA ASP 53 -9.590 -22.938 -6.871 3 HB2 ASP 53 1HB ASP 53 -10.903 -24.259 -5.274 4 HB3 ASP 53 2HB ASP 53 -9.754 -23.890 -3.980 No H/Q in entry = 4 Start of MODEL 10 1 H LEU 54 H LEU 54 -9.388 -20.793 -6.132 2 HA LEU 54 HA LEU 54 -6.713 -19.882 -5.445 3 HB2 LEU 54 1HB LEU 54 -8.292 -18.705 -7.011 4 HB3 LEU 54 2HB LEU 54 -9.373 -18.417 -5.649 5 HG LEU 54 HG LEU 54 -7.298 -17.269 -4.531 6 HD11 LEU 54 HD11 LEU 54 -6.459 -17.254 -7.471 7 HD13 LEU 54 HD12 LEU 54 -5.565 -17.957 -6.100 8 HD12 LEU 54 HD13 LEU 54 -5.772 -16.204 -6.225 9 HD23 LEU 54 HD21 LEU 54 -8.625 -15.988 -6.965 10 HD22 LEU 54 HD22 LEU 54 -7.841 -15.128 -5.622 11 HD21 LEU 54 HD23 LEU 54 -9.321 -16.059 -5.332 No H/Q in entry = 11 Start of MODEL 10 1 H SER 55 H SER 55 -6.383 -20.941 -3.433 2 HA SER 55 HA SER 55 -8.371 -20.785 -1.316 3 HB2 SER 55 1HB SER 55 -5.584 -21.989 -1.323 4 HB3 SER 55 2HB SER 55 -6.857 -22.261 -0.115 5 HG SER 55 HG SER 55 -8.140 -23.116 -1.832 No H/Q in entry = 5 Start of MODEL 10 1 H PHE 56 H PHE 56 -8.452 -19.288 0.246 2 HA PHE 56 HA PHE 56 -6.389 -17.214 0.427 3 HB2 PHE 56 1HB PHE 56 -9.009 -17.435 1.937 4 HB3 PHE 56 2HB PHE 56 -8.033 -15.996 1.657 5 HD1 PHE 56 HD1 PHE 56 -7.771 -15.175 -0.777 6 HD2 PHE 56 HD2 PHE 56 -10.666 -18.149 0.376 7 HE1 PHE 56 HE1 PHE 56 -8.991 -14.834 -2.925 8 HE2 PHE 56 HE2 PHE 56 -11.865 -17.816 -1.765 9 HZ PHE 56 HZ PHE 56 -11.033 -16.155 -3.415 No H/Q in entry = 9 Start of MODEL 10 1 H SER 57 H SER 57 -4.721 -17.479 1.829 2 HA SER 57 HA SER 57 -4.843 -19.308 4.100 3 HB2 SER 57 1HB SER 57 -2.818 -18.943 2.682 4 HB3 SER 57 2HB SER 57 -2.723 -17.281 3.298 5 HG SER 57 HG SER 57 -2.279 -18.060 5.301 No H/Q in entry = 5 Start of MODEL 10 1 H LYS 58 H LYS 58 -3.986 -18.433 6.240 2 HA LYS 58 HA LYS 58 -5.590 -16.390 7.417 3 HB2 LYS 58 1HB LYS 58 -4.125 -16.649 9.337 4 HB3 LYS 58 2HB LYS 58 -4.548 -18.229 8.664 5 HG2 LYS 58 1HG LYS 58 -2.312 -18.246 7.465 6 HG3 LYS 58 2HG LYS 58 -1.906 -16.742 8.320 7 HD2 LYS 58 1HD LYS 58 -2.149 -17.887 10.480 8 HD3 LYS 58 2HD LYS 58 -2.580 -19.397 9.643 9 HE2 LYS 58 1HE LYS 58 -0.393 -19.433 8.513 10 HE3 LYS 58 2HE LYS 58 0.045 -17.882 9.255 11 HZ1 LYS 58 1HZ LYS 58 -0.507 -20.368 10.709 12 HZ3 LYS 58 2HZ LYS 58 -0.079 -18.924 11.384 13 HZ2 LYS 58 3HZ LYS 58 0.986 -19.730 10.416 No H/Q in entry = 13 Start of MODEL 10 1 H ASP 59 H ASP 59 -2.408 -16.406 5.861 2 HA ASP 59 HA ASP 59 -1.679 -13.668 6.409 3 HB2 ASP 59 1HB ASP 59 -0.720 -15.632 4.287 4 HB3 ASP 59 2HB ASP 59 0.116 -14.159 4.797 No H/Q in entry = 4 Start of MODEL 10 1 H GLY 60 H GLY 60 -3.969 -15.102 4.269 2 HA3 GLY 60 1HA GLY 60 -5.283 -14.117 2.654 3 HA2 GLY 60 2HA GLY 60 -4.209 -12.713 2.559 No H/Q in entry = 3 Start of MODEL 10 1 H SER 61 H SER 61 -2.232 -15.480 2.527 2 HA SER 61 HA SER 61 -1.462 -15.045 -0.127 3 HB2 SER 61 1HB SER 61 -0.926 -17.416 1.720 4 HB3 SER 61 2HB SER 61 -0.113 -17.151 0.173 5 HG SER 61 HG SER 61 0.583 -15.125 0.980 No H/Q in entry = 5 Start of MODEL 10 1 H PHE 62 H PHE 62 -1.841 -16.065 -2.019 2 HA PHE 62 HA PHE 62 -4.427 -17.460 -2.252 3 HB2 PHE 62 1HB PHE 62 -2.671 -16.023 -4.267 4 HB3 PHE 62 2HB PHE 62 -4.299 -16.634 -4.534 5 HD1 PHE 62 HD1 PHE 62 -2.248 -13.984 -3.025 6 HD2 PHE 62 HD2 PHE 62 -6.248 -15.570 -3.291 7 HE1 PHE 62 HE1 PHE 62 -3.170 -11.880 -2.079 8 HE2 PHE 62 HE2 PHE 62 -7.141 -13.443 -2.359 9 HZ PHE 62 HZ PHE 62 -5.594 -11.615 -1.731 No H/Q in entry = 9 Start of MODEL 10 1 H TYR 63 H TYR 63 -3.541 -19.607 -1.605 2 HA TYR 63 HA TYR 63 -1.266 -20.593 -3.193 3 HB2 TYR 63 1HB TYR 63 -1.003 -22.268 -1.565 4 HB3 TYR 63 2HB TYR 63 -1.063 -20.669 -0.845 5 HD1 TYR 63 HD1 TYR 63 -2.545 -23.999 -0.870 6 HD2 TYR 63 HD2 TYR 63 -3.066 -19.944 0.481 7 HE1 TYR 63 HE1 TYR 63 -4.207 -24.769 0.791 8 HE2 TYR 63 HE2 TYR 63 -4.789 -20.710 2.098 9 HH TYR 63 HH TYR 63 -5.715 -24.149 2.414 No H/Q in entry = 9 Start of MODEL 10 1 H LEU 64 H LEU 64 -1.900 -21.219 -5.148 2 HA LEU 64 HA LEU 64 -4.031 -23.263 -5.456 3 HB2 LEU 64 1HB LEU 64 -2.405 -21.522 -7.284 4 HB3 LEU 64 2HB LEU 64 -3.190 -22.970 -7.911 5 HG LEU 64 HG LEU 64 -5.063 -21.496 -6.216 6 HD12 LEU 64 HD11 LEU 64 -5.357 -19.562 -7.720 7 HD11 LEU 64 HD12 LEU 64 -3.791 -19.940 -8.466 8 HD13 LEU 64 HD13 LEU 64 -3.874 -19.562 -6.729 9 HD22 LEU 64 HD21 LEU 64 -6.492 -21.690 -8.195 10 HD21 LEU 64 HD22 LEU 64 -5.678 -23.230 -7.858 11 HD23 LEU 64 HD23 LEU 64 -5.102 -22.189 -9.182 No H/Q in entry = 11 Start of MODEL 10 1 H LEU 65 H LEU 65 -3.586 -25.193 -6.579 2 HA LEU 65 HA LEU 65 -0.788 -26.229 -6.502 3 HB2 LEU 65 1HB LEU 65 -2.332 -27.234 -4.752 4 HB3 LEU 65 2HB LEU 65 -3.405 -27.727 -6.059 5 HG LEU 65 HG LEU 65 -1.344 -28.996 -7.031 6 HD11 LEU 65 HD11 LEU 65 -0.407 -28.514 -4.165 7 HD13 LEU 65 HD12 LEU 65 0.395 -27.925 -5.639 8 HD12 LEU 65 HD13 LEU 65 0.325 -29.654 -5.299 9 HD23 LEU 65 HD21 LEU 65 -2.481 -29.935 -4.367 10 HD22 LEU 65 HD22 LEU 65 -1.823 -30.946 -5.674 11 HD21 LEU 65 HD23 LEU 65 -3.330 -30.059 -5.922 No H/Q in entry = 11 Start of MODEL 10 1 H TYR 66 H TYR 66 -0.421 -25.595 -8.695 2 HA TYR 66 HA TYR 66 -2.448 -26.293 -10.710 3 HB2 TYR 66 1HB TYR 66 0.202 -24.854 -10.858 4 HB3 TYR 66 2HB TYR 66 -0.772 -25.258 -12.267 5 HD1 TYR 66 HD1 TYR 66 -3.195 -24.415 -12.390 6 HD2 TYR 66 HD2 TYR 66 -0.315 -22.870 -9.598 7 HE1 TYR 66 HE1 TYR 66 -4.377 -22.244 -12.393 8 HE2 TYR 66 HE2 TYR 66 -1.553 -20.706 -9.537 9 HH TYR 66 HH TYR 66 -4.422 -20.103 -11.592 No H/Q in entry = 9 Start of MODEL 10 1 H TYR 67 H TYR 67 -2.391 -28.611 -10.412 2 HA TYR 67 HA TYR 67 0.160 -29.919 -10.984 3 HB2 TYR 67 1HB TYR 67 -0.699 -31.862 -9.956 4 HB3 TYR 67 2HB TYR 67 -0.951 -30.465 -8.927 5 HD1 TYR 67 HD1 TYR 67 -2.527 -33.208 -10.771 6 HD2 TYR 67 HD2 TYR 67 -3.243 -29.657 -8.459 7 HE1 TYR 67 HE1 TYR 67 -4.904 -33.851 -10.508 8 HE2 TYR 67 HE2 TYR 67 -5.664 -30.178 -8.383 9 HH TYR 67 HH TYR 67 -7.319 -31.638 -9.051 No H/Q in entry = 9 Start of MODEL 10 1 H THR 68 H THR 68 0.594 -30.519 -13.054 2 HA THR 68 HA THR 68 -1.539 -31.673 -14.751 3 HB THR 68 HB THR 68 -0.110 -30.068 -15.763 4 HG1 THR 68 HG1 THR 68 -0.916 -31.833 -16.948 5 HG23 THR 68 HG21 THR 68 1.998 -30.350 -14.535 6 HG22 THR 68 HG22 THR 68 2.268 -30.586 -16.267 7 HG21 THR 68 HG23 THR 68 2.196 -31.990 -15.195 No H/Q in entry = 7 Start of MODEL 10 1 H GLU 69 H GLU 69 -1.383 -33.796 -15.580 2 HA GLU 69 HA GLU 69 0.199 -35.799 -14.085 3 HB2 GLU 69 1HB GLU 69 -2.049 -36.403 -14.390 4 HB3 GLU 69 2HB GLU 69 -2.066 -35.923 -16.090 5 HG2 GLU 69 1HG GLU 69 -2.030 -38.420 -15.617 6 HG3 GLU 69 2HG GLU 69 -0.852 -37.830 -16.781 No H/Q in entry = 6 Start of MODEL 10 1 H PHE 70 H PHE 70 2.272 -35.204 -14.755 2 HA PHE 70 HA PHE 70 2.953 -35.231 -17.619 3 HB2 PHE 70 1HB PHE 70 4.899 -34.235 -17.130 4 HB3 PHE 70 2HB PHE 70 3.798 -33.485 -15.994 5 HD1 PHE 70 HD1 PHE 70 3.776 -35.045 -13.597 6 HD2 PHE 70 HD2 PHE 70 7.048 -34.612 -16.348 7 HE1 PHE 70 HE1 PHE 70 5.397 -35.477 -11.766 8 HE2 PHE 70 HE2 PHE 70 8.635 -34.753 -14.488 9 HZ PHE 70 HZ PHE 70 7.823 -35.322 -12.201 No H/Q in entry = 9 Start of MODEL 10 1 H THR 71 H THR 71 4.080 -36.880 -18.608 2 HA THR 71 HA THR 71 4.903 -39.253 -17.041 3 HB THR 71 HB THR 71 4.685 -38.745 -20.008 4 HG1 THR 71 HG1 THR 71 3.110 -40.202 -18.157 5 HG22 THR 71 HG21 THR 71 4.918 -41.200 -20.190 6 HG21 THR 71 HG22 THR 71 5.263 -41.311 -18.454 7 HG23 THR 71 HG23 THR 71 6.399 -40.486 -19.539 No H/Q in entry = 7 Start of MODEL 10 1 HA PRO 72 HA PRO 72 9.019 -37.032 -17.510 2 HB2 PRO 72 1HB PRO 72 10.338 -38.276 -15.429 3 HB3 PRO 72 2HB PRO 72 9.315 -36.835 -15.265 4 HG2 PRO 72 1HG PRO 72 8.496 -39.721 -14.838 5 HG3 PRO 72 2HG PRO 72 8.241 -38.334 -13.734 6 HD2 PRO 72 1HD PRO 72 6.251 -39.084 -15.341 7 HD3 PRO 72 2HD PRO 72 6.630 -37.369 -15.203 No H/Q in entry = 7 Start of MODEL 10 1 H THR 73 H THR 73 9.176 -38.108 -19.519 2 HA THR 73 HA THR 73 10.555 -40.700 -19.653 3 HB THR 73 HB THR 73 10.148 -38.539 -21.739 4 HG1 THR 73 HG1 THR 73 8.691 -40.921 -21.207 5 HG23 THR 73 HG21 THR 73 11.968 -40.043 -22.378 6 HG22 THR 73 HG22 THR 73 10.537 -40.366 -23.368 7 HG21 THR 73 HG23 THR 73 10.948 -41.461 -22.031 No H/Q in entry = 7 Start of MODEL 10 1 H GLU 74 H GLU 74 12.756 -40.855 -19.996 2 HA GLU 74 HA GLU 74 14.347 -38.770 -18.707 3 HB2 GLU 74 1HB GLU 74 14.534 -41.121 -18.085 4 HB3 GLU 74 2HB GLU 74 15.046 -41.553 -19.721 5 HG2 GLU 74 1HG GLU 74 16.919 -41.493 -18.137 6 HG3 GLU 74 2HG GLU 74 17.159 -40.317 -19.419 No H/Q in entry = 6 Start of MODEL 10 1 H LYS 75 H LYS 75 13.784 -37.317 -20.540 2 HA LYS 75 HA LYS 75 16.049 -36.842 -22.143 3 HB2 LYS 75 1HB LYS 75 14.865 -38.753 -23.500 4 HB3 LYS 75 2HB LYS 75 13.574 -37.589 -23.770 5 HG2 LYS 75 1HG LYS 75 14.974 -37.495 -25.681 6 HG3 LYS 75 2HG LYS 75 15.392 -36.045 -24.756 7 HD2 LYS 75 1HD LYS 75 17.354 -37.392 -23.772 8 HD3 LYS 75 2HD LYS 75 16.920 -38.690 -24.895 9 HE2 LYS 75 1HE LYS 75 17.284 -37.139 -26.800 10 HE3 LYS 75 2HE LYS 75 17.674 -35.833 -25.661 11 HZ3 LYS 75 1HZ LYS 75 19.521 -37.100 -24.899 12 HZ2 LYS 75 2HZ LYS 75 19.626 -36.895 -26.532 13 HZ1 LYS 75 3HZ LYS 75 19.157 -38.350 -25.911 No H/Q in entry = 13 Start of MODEL 10 1 H ASP 76 H ASP 76 12.561 -36.360 -21.682 2 HA ASP 76 HA ASP 76 12.514 -33.608 -22.618 3 HB2 ASP 76 1HB ASP 76 10.541 -35.385 -21.128 4 HB3 ASP 76 2HB ASP 76 10.160 -33.756 -21.688 No H/Q in entry = 4 Start of MODEL 10 1 H GLU 77 H GLU 77 11.782 -31.829 -21.240 2 HA GLU 77 HA GLU 77 12.565 -31.977 -18.377 3 HB2 GLU 77 1HB GLU 77 13.694 -29.771 -18.651 4 HB3 GLU 77 2HB GLU 77 14.537 -31.140 -19.387 5 HG2 GLU 77 1HG GLU 77 13.888 -30.493 -21.603 6 HG3 GLU 77 2HG GLU 77 12.779 -29.247 -21.002 No H/Q in entry = 6 Start of MODEL 10 1 H TYR 78 H TYR 78 11.240 -30.940 -17.059 2 HA TYR 78 HA TYR 78 8.781 -29.791 -18.233 3 HB2 TYR 78 1HB TYR 78 9.351 -31.121 -15.584 4 HB3 TYR 78 2HB TYR 78 7.780 -30.541 -16.133 5 HD1 TYR 78 HD1 TYR 78 10.489 -33.035 -16.806 6 HD2 TYR 78 HD2 TYR 78 6.482 -31.768 -17.784 7 HE1 TYR 78 HE1 TYR 78 10.268 -34.941 -18.358 8 HE2 TYR 78 HE2 TYR 78 6.228 -33.764 -19.228 9 HH TYR 78 HH TYR 78 7.279 -35.559 -20.229 No H/Q in entry = 9 Start of MODEL 10 1 H ALA 79 H ALA 79 7.968 -27.784 -17.628 2 HA ALA 79 HA ALA 79 9.440 -26.182 -15.613 3 HB3 ALA 79 1HB ALA 79 9.254 -25.566 -18.594 4 HB2 ALA 79 2HB ALA 79 9.821 -24.424 -17.360 5 HB1 ALA 79 3HB ALA 79 10.733 -25.917 -17.670 No H/Q in entry = 5 Start of MODEL 10 1 H CYS 80 H CYS 80 8.128 -24.997 -14.452 2 HA CYS 80 HA CYS 80 5.405 -24.373 -15.360 3 HB2 CYS 80 1HB CYS 80 5.911 -25.247 -13.079 4 HB3 CYS 80 2HB CYS 80 6.727 -23.719 -12.724 No H/Q in entry = 4 Start of MODEL 10 1 H ARG 81 H ARG 81 5.074 -22.577 -16.521 2 HA ARG 81 HA ARG 81 6.995 -20.341 -16.572 3 HB2 ARG 81 1HB ARG 81 6.375 -21.220 -18.690 4 HB3 ARG 81 2HB ARG 81 4.651 -21.168 -18.299 5 HG2 ARG 81 1HG ARG 81 4.572 -18.805 -18.356 6 HG3 ARG 81 2HG ARG 81 6.342 -18.658 -18.358 7 HD2 ARG 81 1HD ARG 81 6.409 -19.597 -20.630 8 HD3 ARG 81 2HD ARG 81 4.659 -19.834 -20.618 9 HE ARG 81 HE ARG 81 6.180 -17.272 -20.702 10 HH12 ARG 81 HH11 ARG 81 2.145 -17.285 -21.133 11 HH11 ARG 81 HH12 ARG 81 2.966 -18.815 -20.986 12 HH21 ARG 81 HH21 ARG 81 5.054 -15.316 -20.948 13 HH22 ARG 81 HH22 ARG 81 3.321 -15.322 -21.179 No H/Q in entry = 13 Start of MODEL 10 1 H VAL 82 H VAL 82 6.586 -19.324 -14.566 2 HA VAL 82 HA VAL 82 3.781 -18.698 -13.837 3 HB VAL 82 HB VAL 82 6.341 -18.406 -12.224 4 HG13 VAL 82 HG11 VAL 82 4.462 -16.924 -11.524 5 HG11 VAL 82 HG12 VAL 82 3.385 -18.338 -11.489 6 HG12 VAL 82 HG13 VAL 82 4.741 -18.225 -10.345 7 HG23 VAL 82 HG21 VAL 82 5.520 -20.400 -11.006 8 HG21 VAL 82 HG22 VAL 82 4.193 -20.567 -12.171 9 HG22 VAL 82 HG23 VAL 82 5.881 -20.797 -12.689 No H/Q in entry = 9 Start of MODEL 10 1 H ASN 83 H ASN 83 3.107 -16.950 -14.952 2 HA ASN 83 HA ASN 83 4.755 -14.449 -14.932 3 HB2 ASN 83 1HB ASN 83 2.429 -15.349 -16.671 4 HB3 ASN 83 2HB ASN 83 3.004 -13.679 -16.590 5 HD21 ASN 83 HD21 ASN 83 4.249 -17.021 -17.119 6 HD22 ASN 83 HD22 ASN 83 5.413 -16.568 -18.344 No H/Q in entry = 6 Start of MODEL 10 1 H HIS 84 H HIS 84 3.747 -12.548 -14.237 2 HA HIS 84 HA HIS 84 1.104 -12.543 -13.064 3 HB2 HIS 84 1HB HIS 84 2.584 -13.584 -11.271 4 HB3 HIS 84 2HB HIS 84 3.525 -12.095 -11.255 5 HD2 HIS 84 HD2 HIS 84 -0.010 -13.449 -10.202 6 HE1 HIS 84 HE1 HIS 84 0.648 -9.763 -8.257 7 HE2 HIS 84 HE2 HIS 84 -0.982 -11.709 -8.509 No H/Q in entry = 7 Start of MODEL 10 1 H VAL 85 H VAL 85 0.710 -10.240 -12.136 2 HA VAL 85 HA VAL 85 1.588 -8.251 -13.999 3 HB VAL 85 HB VAL 85 0.066 -8.151 -11.392 4 HG12 VAL 85 HG11 VAL 85 -0.433 -5.774 -11.916 5 HG13 VAL 85 HG12 VAL 85 1.269 -6.016 -11.507 6 HG11 VAL 85 HG13 VAL 85 0.791 -5.806 -13.204 7 HG23 VAL 85 HG21 VAL 85 -0.716 -7.467 -14.261 8 HG21 VAL 85 HG22 VAL 85 -0.982 -9.056 -13.529 9 HG22 VAL 85 HG23 VAL 85 -1.793 -7.623 -12.862 No H/Q in entry = 9 Start of MODEL 10 1 H THR 86 H THR 86 2.914 -9.387 -10.896 2 HA THR 86 HA THR 86 4.776 -7.191 -10.587 3 HB THR 86 HB THR 86 5.879 -8.750 -8.986 4 HG1 THR 86 HG1 THR 86 3.709 -10.470 -9.579 5 HG21 THR 86 HG21 THR 86 2.875 -8.322 -8.690 6 HG23 THR 86 HG22 THR 86 4.192 -7.260 -8.146 7 HG22 THR 86 HG23 THR 86 3.957 -8.852 -7.392 No H/Q in entry = 7 Start of MODEL 10 1 H LEU 87 H LEU 87 5.062 -10.586 -11.767 2 HA LEU 87 HA LEU 87 7.837 -10.192 -12.558 3 HB2 LEU 87 1HB LEU 87 5.995 -12.525 -13.142 4 HB3 LEU 87 2HB LEU 87 7.753 -12.501 -13.237 5 HG LEU 87 HG LEU 87 6.114 -12.182 -10.676 6 HD11 LEU 87 HD11 LEU 87 6.035 -14.454 -11.647 7 HD13 LEU 87 HD12 LEU 87 6.938 -14.402 -10.119 8 HD12 LEU 87 HD13 LEU 87 7.812 -14.498 -11.657 9 HD21 LEU 87 HD21 LEU 87 9.130 -12.341 -11.125 10 HD23 LEU 87 HD22 LEU 87 8.331 -12.473 -9.545 11 HD22 LEU 87 HD23 LEU 87 8.231 -10.961 -10.453 No H/Q in entry = 11 Start of MODEL 10 1 H SER 88 H SER 88 7.870 -8.585 -14.115 2 HA SER 88 HA SER 88 6.338 -8.402 -16.457 3 HB2 SER 88 1HB SER 88 9.294 -7.740 -16.103 4 HB3 SER 88 2HB SER 88 8.193 -7.082 -17.331 5 HG SER 88 HG SER 88 6.949 -6.230 -15.575 No H/Q in entry = 5 Start of MODEL 10 1 H GLN 89 H GLN 89 9.225 -10.347 -15.706 2 HA GLN 89 HA GLN 89 9.334 -11.483 -18.403 3 HB2 GLN 89 1HB GLN 89 11.388 -12.572 -17.644 4 HB3 GLN 89 2HB GLN 89 11.388 -10.823 -17.476 5 HG2 GLN 89 1HG GLN 89 12.494 -11.720 -15.594 6 HG3 GLN 89 2HG GLN 89 10.969 -11.059 -15.018 7 HE21 GLN 89 HE21 GLN 89 10.192 -12.355 -13.391 8 HE22 GLN 89 HE22 GLN 89 10.263 -14.103 -13.367 No H/Q in entry = 8 Start of MODEL 10 1 HA PRO 90 HA PRO 90 7.116 -15.162 -17.069 2 HB2 PRO 90 1HB PRO 90 7.834 -16.969 -18.978 3 HB3 PRO 90 2HB PRO 90 6.865 -15.523 -19.375 4 HG2 PRO 90 1HG PRO 90 9.848 -15.852 -19.717 5 HG3 PRO 90 2HG PRO 90 8.656 -15.261 -20.906 6 HD2 PRO 90 1HD PRO 90 10.125 -13.561 -19.351 7 HD3 PRO 90 2HD PRO 90 8.435 -13.193 -19.806 No H/Q in entry = 7 Start of MODEL 10 1 H LYS 91 H LYS 91 7.742 -16.213 -15.183 2 HA LYS 91 HA LYS 91 10.587 -16.805 -14.802 3 HB2 LYS 91 1HB LYS 91 9.020 -15.788 -13.092 4 HB3 LYS 91 2HB LYS 91 8.384 -17.406 -12.814 5 HG2 LYS 91 1HG LYS 91 11.311 -16.529 -12.576 6 HG3 LYS 91 2HG LYS 91 10.173 -16.699 -11.236 7 HD2 LYS 91 1HD LYS 91 9.969 -19.135 -11.736 8 HD3 LYS 91 2HD LYS 91 11.233 -18.964 -12.976 9 HE2 LYS 91 1HE LYS 91 12.813 -18.111 -11.295 10 HE3 LYS 91 2HE LYS 91 11.583 -18.274 -10.026 11 HZ2 LYS 91 1HZ LYS 91 13.194 -20.096 -10.189 12 HZ1 LYS 91 2HZ LYS 91 12.541 -20.523 -11.641 13 HZ3 LYS 91 3HZ LYS 91 11.623 -20.577 -10.271 No H/Q in entry = 13 Start of MODEL 10 1 H ILE 92 H ILE 92 10.963 -18.377 -16.328 2 HA ILE 92 HA ILE 92 9.524 -20.882 -16.478 3 HB ILE 92 HB ILE 92 12.345 -20.221 -17.412 4 HG13 ILE 92 HG12 ILE 92 11.394 -19.738 -19.626 5 HG23 ILE 92 HG21 ILE 92 11.960 -22.018 -19.036 6 HG21 ILE 92 HG22 ILE 92 11.784 -22.622 -17.383 7 HG22 ILE 92 HG23 ILE 92 10.342 -22.307 -18.363 8 HD11 ILE 92 HD11 ILE 92 8.707 -19.504 -18.196 9 HD12 ILE 92 HD12 ILE 92 9.075 -18.996 -19.850 10 HD13 ILE 92 HD13 ILE 92 9.112 -20.715 -19.437 11 HG12 ILE 92 HG11 ILE 92 10.988 -18.536 -18.416 No H/Q in entry = 11 Start of MODEL 10 1 H VAL 93 H VAL 93 9.492 -22.132 -14.649 2 HA VAL 93 HA VAL 93 11.798 -22.266 -12.842 3 HB VAL 93 HB VAL 93 9.192 -23.845 -12.834 4 HG11 VAL 93 HG11 VAL 93 11.486 -23.546 -10.842 5 HG12 VAL 93 HG12 VAL 93 9.888 -24.107 -10.355 6 HG13 VAL 93 HG13 VAL 93 10.814 -25.048 -11.522 7 HG23 VAL 93 HG21 VAL 93 9.996 -21.419 -11.199 8 HG21 VAL 93 HG22 VAL 93 8.809 -21.384 -12.512 9 HG22 VAL 93 HG23 VAL 93 8.477 -22.323 -11.054 No H/Q in entry = 9 Start of MODEL 10 1 H LYS 94 H LYS 94 13.025 -24.163 -12.526 2 HA LYS 94 HA LYS 94 12.903 -26.248 -14.677 3 HB2 LYS 94 1HB LYS 94 15.214 -25.352 -12.905 4 HB3 LYS 94 2HB LYS 94 15.217 -26.743 -14.007 5 HG2 LYS 94 1HG LYS 94 14.613 -25.139 -15.888 6 HG3 LYS 94 2HG LYS 94 14.895 -23.799 -14.763 7 HD2 LYS 94 1HD LYS 94 17.232 -24.605 -14.403 8 HD3 LYS 94 2HD LYS 94 16.921 -25.967 -15.500 9 HE2 LYS 94 1HE LYS 94 16.445 -24.338 -17.341 10 HE3 LYS 94 2HE LYS 94 16.915 -23.014 -16.255 11 HZ2 LYS 94 1HZ LYS 94 18.683 -23.772 -17.710 12 HZ1 LYS 94 2HZ LYS 94 18.642 -25.264 -17.014 13 HZ3 LYS 94 3HZ LYS 94 19.080 -23.951 -16.119 No H/Q in entry = 13 Start of MODEL 10 1 H TRP 95 H TRP 95 11.622 -27.831 -13.923 2 HA TRP 95 HA TRP 95 10.863 -28.364 -11.310 3 HB2 TRP 95 1HB TRP 95 9.631 -29.351 -13.076 4 HB3 TRP 95 2HB TRP 95 11.078 -30.038 -13.801 5 HD1 TRP 95 HD1 TRP 95 9.704 -30.539 -10.199 6 HE1 TRP 95 HE1 TRP 95 9.683 -33.065 -9.709 7 HE3 TRP 95 HE3 TRP 95 11.340 -32.248 -14.719 8 HZ2 TRP 95 HZ2 TRP 95 10.321 -35.486 -11.084 9 HZ3 TRP 95 HZ3 TRP 95 11.649 -34.683 -15.105 10 HH2 TRP 95 HH2 TRP 95 11.135 -36.308 -13.305 No H/Q in entry = 10 Start of MODEL 10 1 H ASP 96 H ASP 96 11.942 -28.991 -9.619 2 HA ASP 96 HA ASP 96 14.691 -29.957 -9.734 3 HB2 ASP 96 1HB ASP 96 12.855 -29.452 -7.357 4 HB3 ASP 96 2HB ASP 96 14.614 -29.665 -7.322 No H/Q in entry = 4 Start of MODEL 10 1 H ARG 97 H ARG 97 14.396 -32.001 -10.758 2 HA ARG 97 HA ARG 97 12.518 -33.920 -9.744 3 HB2 ARG 97 1HB ARG 97 13.313 -35.379 -11.402 4 HB3 ARG 97 2HB ARG 97 13.180 -33.748 -12.087 5 HG2 ARG 97 1HG ARG 97 15.645 -33.492 -11.974 6 HG3 ARG 97 2HG ARG 97 15.772 -35.143 -11.314 7 HD2 ARG 97 1HD ARG 97 14.492 -35.982 -13.292 8 HD3 ARG 97 2HD ARG 97 14.567 -34.357 -14.005 9 HE ARG 97 HE ARG 97 17.192 -34.897 -13.545 10 HH12 ARG 97 HH11 ARG 97 15.755 -37.632 -16.190 11 HH11 ARG 97 HH12 ARG 97 14.619 -36.742 -15.208 12 HH21 ARG 97 HH21 ARG 97 18.627 -36.051 -14.928 13 HH22 ARG 97 HH22 ARG 97 17.988 -37.204 -16.081 No H/Q in entry = 13 Start of MODEL 10 1 H ASP 98 H ASP 98 16.019 -33.438 -9.293 2 HA ASP 98 HA ASP 98 16.521 -35.896 -7.924 3 HB2 ASP 98 1HB ASP 98 18.276 -34.524 -8.966 4 HB3 ASP 98 2HB ASP 98 17.973 -33.218 -7.812 No H/Q in entry = 4 Start of MODEL 10 1 H MET 99 H MET 99 15.936 -32.544 -6.766 2 HA MET 99 HA MET 99 15.254 -33.572 -4.058 3 HB2 MET 99 1HB MET 99 17.116 -31.922 -4.275 4 HB3 MET 99 2HB MET 99 15.995 -30.763 -4.979 5 HG2 MET 99 1HG MET 99 16.353 -30.307 -2.613 6 HG3 MET 99 2HG MET 99 14.673 -30.744 -2.898 7 HE2 MET 99 1HE MET 99 17.769 -33.481 -0.793 8 HE3 MET 99 2HE MET 99 17.723 -33.376 -2.563 9 HE1 MET 99 3HE MET 99 18.154 -31.942 -1.598 No H/Q in entry = 9 Start of MODEL 11 1 H1 MET 0 2H MET 0 -1.558 -3.667 -2.118 2 H2 MET 0 3H MET 0 -1.455 -3.390 -0.501 3 H3 MET 0 1H MET 0 -2.144 -2.262 -1.488 4 HA MET 0 HA MET 0 -0.126 -1.946 -2.648 5 HB2 MET 0 1HB MET 0 0.925 -0.510 -1.169 6 HB3 MET 0 2HB MET 0 -0.777 -0.478 -0.730 7 HG2 MET 0 1HG MET 0 1.481 -1.927 0.731 8 HG3 MET 0 2HG MET 0 0.728 -0.418 1.208 9 HE3 MET 0 1HE MET 0 -2.717 -1.418 2.608 10 HE1 MET 0 2HE MET 0 -1.544 -0.114 2.322 11 HE2 MET 0 3HE MET 0 -2.397 -0.864 0.951 No H/Q in entry = 11 Start of MODEL 11 1 H ILE 1 H ILE 1 0.128 -4.364 -0.073 2 HA ILE 1 HA ILE 1 2.895 -4.857 -0.245 3 HB ILE 1 HB ILE 1 1.562 -5.561 1.612 4 HG13 ILE 1 HG12 ILE 1 3.681 -6.729 1.037 5 HG22 ILE 1 HG21 ILE 1 0.307 -7.797 -0.017 6 HG23 ILE 1 HG22 ILE 1 -0.070 -7.283 1.632 7 HG21 ILE 1 HG23 ILE 1 -0.526 -6.258 0.275 8 HD12 ILE 1 HD11 ILE 1 1.667 -8.654 2.268 9 HD13 ILE 1 HD12 ILE 1 3.425 -8.648 2.479 10 HD11 ILE 1 HD13 ILE 1 2.456 -7.320 3.146 11 HG12 ILE 1 HG11 ILE 1 2.760 -7.974 0.181 No H/Q in entry = 11 Start of MODEL 11 1 H GLN 2 H GLN 2 3.950 -5.311 -2.063 2 HA GLN 2 HA GLN 2 2.660 -6.744 -4.272 3 HB2 GLN 2 1HB GLN 2 3.995 -4.646 -4.548 4 HB3 GLN 2 2HB GLN 2 5.453 -5.544 -4.099 5 HG2 GLN 2 1HG GLN 2 5.062 -7.074 -6.051 6 HG3 GLN 2 2HG GLN 2 3.564 -6.193 -6.402 7 HE21 GLN 2 HE21 GLN 2 3.797 -4.855 -8.128 8 HE22 GLN 2 HE22 GLN 2 5.236 -3.937 -8.510 No H/Q in entry = 8 Start of MODEL 11 1 H ARG 3 H ARG 3 2.495 -8.638 -2.660 2 HA ARG 3 HA ARG 3 4.900 -10.147 -2.117 3 HB2 ARG 3 1HB ARG 3 2.694 -10.203 -0.791 4 HB3 ARG 3 2HB ARG 3 2.077 -11.235 -2.094 5 HG2 ARG 3 1HG ARG 3 4.061 -12.759 -1.731 6 HG3 ARG 3 2HG ARG 3 4.503 -11.769 -0.336 7 HD2 ARG 3 1HD ARG 3 1.878 -13.284 -0.714 8 HD3 ARG 3 2HD ARG 3 3.221 -13.822 0.289 9 HE ARG 3 HE ARG 3 1.168 -11.889 0.938 10 HH12 ARG 3 HH11 ARG 3 4.540 -12.030 3.207 11 HH11 ARG 3 HH12 ARG 3 4.538 -12.791 1.634 12 HH21 ARG 3 HH21 ARG 3 1.175 -10.980 3.053 13 HH22 ARG 3 HH22 ARG 3 2.636 -11.014 4.007 No H/Q in entry = 13 Start of MODEL 11 1 H THR 4 H THR 4 6.013 -11.111 -3.731 2 HA THR 4 HA THR 4 4.873 -11.628 -6.313 3 HB THR 4 HB THR 4 7.199 -12.608 -6.721 4 HG1 THR 4 HG1 THR 4 8.682 -12.282 -5.040 5 HG21 THR 4 HG21 THR 4 6.668 -10.205 -7.115 6 HG23 THR 4 HG22 THR 4 8.342 -10.451 -6.582 7 HG22 THR 4 HG23 THR 4 7.132 -9.837 -5.440 No H/Q in entry = 7 Start of MODEL 11 1 HA PRO 5 HA PRO 5 3.619 -15.916 -5.846 2 HB2 PRO 5 1HB PRO 5 4.552 -16.998 -8.238 3 HB3 PRO 5 2HB PRO 5 3.057 -16.043 -8.071 4 HG2 PRO 5 1HG PRO 5 5.792 -15.111 -8.934 5 HG3 PRO 5 2HG PRO 5 4.213 -14.744 -9.693 6 HD2 PRO 5 1HD PRO 5 5.376 -12.972 -8.058 7 HD3 PRO 5 2HD PRO 5 3.622 -13.275 -7.901 No H/Q in entry = 7 Start of MODEL 11 1 H LYS 6 H LYS 6 4.733 -17.045 -4.311 2 HA LYS 6 HA LYS 6 7.621 -17.533 -4.535 3 HB2 LYS 6 1HB LYS 6 6.803 -17.055 -2.357 4 HB3 LYS 6 2HB LYS 6 5.568 -18.318 -2.449 5 HG2 LYS 6 1HG LYS 6 7.250 -20.074 -2.490 6 HG3 LYS 6 2HG LYS 6 8.551 -18.883 -2.697 7 HD2 LYS 6 1HD LYS 6 8.019 -17.962 -0.445 8 HD3 LYS 6 2HD LYS 6 6.772 -19.215 -0.241 9 HE2 LYS 6 1HE LYS 6 8.469 -20.984 -0.409 10 HE3 LYS 6 2HE LYS 6 9.724 -19.789 -0.787 11 HZ1 LYS 6 1HZ LYS 6 9.396 -18.839 1.366 12 HZ3 LYS 6 2HZ LYS 6 9.803 -20.432 1.486 13 HZ2 LYS 6 3HZ LYS 6 8.243 -19.958 1.736 No H/Q in entry = 13 Start of MODEL 11 1 H ILE 7 H ILE 7 8.239 -18.991 -5.941 2 HA ILE 7 HA ILE 7 6.628 -21.140 -6.950 3 HB ILE 7 HB ILE 7 8.624 -21.742 -8.197 4 HG13 ILE 7 HG12 ILE 7 10.357 -21.466 -6.498 5 HG22 ILE 7 HG21 ILE 7 8.241 -18.713 -8.108 6 HG23 ILE 7 HG22 ILE 7 8.875 -19.650 -9.459 7 HG21 ILE 7 HG23 ILE 7 7.201 -19.877 -8.956 8 HD12 ILE 7 HD11 ILE 7 11.025 -19.555 -8.720 9 HD13 ILE 7 HD12 ILE 7 12.117 -20.524 -7.724 10 HD11 ILE 7 HD13 ILE 7 11.032 -21.332 -8.873 11 HG12 ILE 7 HG11 ILE 7 10.118 -19.710 -6.466 No H/Q in entry = 11 Start of MODEL 11 1 H GLN 8 H GLN 8 6.544 -23.245 -6.344 2 HA GLN 8 HA GLN 8 8.602 -24.472 -4.646 3 HB2 GLN 8 1HB GLN 8 5.677 -24.368 -3.798 4 HB3 GLN 8 2HB GLN 8 6.932 -25.370 -3.065 5 HG2 GLN 8 1HG GLN 8 8.113 -23.327 -2.314 6 HG3 GLN 8 2HG GLN 8 6.891 -22.323 -3.124 7 HE21 GLN 8 HE21 GLN 8 6.712 -25.145 -0.864 8 HE22 GLN 8 HE22 GLN 8 5.571 -24.364 0.211 No H/Q in entry = 8 Start of MODEL 11 1 H VAL 9 H VAL 9 8.900 -25.324 -6.838 2 HA VAL 9 HA VAL 9 6.695 -26.888 -8.005 3 HB VAL 9 HB VAL 9 9.380 -26.200 -9.158 4 HG12 VAL 9 HG11 VAL 9 6.746 -26.993 -10.486 5 HG13 VAL 9 HG12 VAL 9 8.259 -26.598 -11.326 6 HG11 VAL 9 HG13 VAL 9 8.164 -28.045 -10.319 7 HG22 VAL 9 HG21 VAL 9 8.318 -24.083 -8.683 8 HG23 VAL 9 HG22 VAL 9 8.087 -24.403 -10.408 9 HG21 VAL 9 HG23 VAL 9 6.751 -24.676 -9.273 No H/Q in entry = 9 Start of MODEL 11 1 H TYR 10 H TYR 10 6.791 -28.595 -6.497 2 HA TYR 10 HA TYR 10 9.086 -30.489 -6.693 3 HB2 TYR 10 1HB TYR 10 8.281 -31.485 -4.728 4 HB3 TYR 10 2HB TYR 10 8.546 -29.764 -4.534 5 HD1 TYR 10 HD1 TYR 10 6.640 -28.207 -4.198 6 HD2 TYR 10 HD2 TYR 10 6.103 -32.476 -4.381 7 HE1 TYR 10 HE1 TYR 10 4.389 -27.964 -3.198 8 HE2 TYR 10 HE2 TYR 10 3.887 -32.242 -3.302 9 HH TYR 10 HH TYR 10 2.473 -29.043 -2.518 No H/Q in entry = 9 Start of MODEL 11 1 H SER 11 H SER 11 8.569 -32.830 -6.976 2 HA SER 11 HA SER 11 6.146 -33.421 -8.568 3 HB2 SER 11 1HB SER 11 7.275 -35.653 -8.753 4 HB3 SER 11 2HB SER 11 8.021 -34.279 -9.559 5 HG SER 11 HG SER 11 9.529 -35.576 -8.380 No H/Q in entry = 5 Start of MODEL 11 1 H ARG 12 H ARG 12 4.562 -34.774 -7.873 2 HA ARG 12 HA ARG 12 4.158 -35.284 -5.083 3 HB2 ARG 12 1HB ARG 12 2.331 -34.950 -6.799 4 HB3 ARG 12 2HB ARG 12 2.780 -36.493 -7.521 5 HG2 ARG 12 1HG ARG 12 0.866 -36.831 -6.143 6 HG3 ARG 12 2HG ARG 12 2.230 -37.631 -5.348 7 HD2 ARG 12 1HD ARG 12 2.435 -35.803 -3.747 8 HD3 ARG 12 2HD ARG 12 1.181 -34.875 -4.603 9 HE ARG 12 HE ARG 12 0.091 -37.388 -3.946 10 HH12 ARG 12 HH11 ARG 12 0.243 -34.765 -0.847 11 HH11 ARG 12 HH12 ARG 12 1.292 -34.519 -2.223 12 HH21 ARG 12 HH21 ARG 12 -1.263 -37.688 -2.146 13 HH22 ARG 12 HH22 ARG 12 -1.214 -36.572 -0.803 No H/Q in entry = 13 Start of MODEL 11 1 H HIS 13 H HIS 13 4.740 -37.429 -7.899 2 HA HIS 13 HA HIS 13 5.415 -39.714 -6.170 3 HB2 HIS 13 1HB HIS 13 5.011 -39.450 -9.172 4 HB3 HIS 13 2HB HIS 13 5.206 -40.959 -8.313 5 HD1 HIS 13 HD1 HIS 13 3.212 -39.620 -5.908 6 HD2 HIS 13 HD2 HIS 13 2.406 -40.509 -9.921 7 HE1 HIS 13 HE1 HIS 13 0.697 -39.920 -6.132 No H/Q in entry = 7 Start of MODEL 11 1 HA PRO 14 HA PRO 14 9.803 -39.384 -7.109 2 HB2 PRO 14 1HB PRO 14 10.631 -41.980 -7.347 3 HB3 PRO 14 2HB PRO 14 10.138 -41.253 -5.792 4 HG2 PRO 14 1HG PRO 14 8.423 -42.900 -7.669 5 HG3 PRO 14 2HG PRO 14 8.664 -43.154 -5.915 6 HD2 PRO 14 1HD PRO 14 6.515 -41.812 -6.814 7 HD3 PRO 14 2HD PRO 14 7.382 -41.205 -5.383 No H/Q in entry = 7 Start of MODEL 11 1 H ALA 15 H ALA 15 11.134 -39.249 -8.898 2 HA ALA 15 HA ALA 15 9.776 -39.463 -11.492 3 HB1 ALA 15 1HB ALA 15 10.806 -37.363 -10.790 4 HB2 ALA 15 2HB ALA 15 12.386 -38.152 -10.636 5 HB3 ALA 15 3HB ALA 15 11.614 -38.011 -12.232 No H/Q in entry = 5 Start of MODEL 11 1 H GLU 16 H GLU 16 9.947 -41.918 -11.319 2 HA GLU 16 HA GLU 16 12.596 -43.037 -11.942 3 HB2 GLU 16 1HB GLU 16 9.893 -44.414 -11.868 4 HB3 GLU 16 2HB GLU 16 11.483 -45.179 -11.877 5 HG2 GLU 16 1HG GLU 16 10.296 -43.474 -9.637 6 HG3 GLU 16 2HG GLU 16 10.563 -45.218 -9.624 No H/Q in entry = 6 Start of MODEL 11 1 H ASN 17 H ASN 17 12.957 -44.326 -13.843 2 HA ASN 17 HA ASN 17 12.357 -42.995 -16.274 3 HB2 ASN 17 1HB ASN 17 14.406 -44.267 -15.905 4 HB3 ASN 17 2HB ASN 17 13.488 -45.762 -15.691 5 HD21 ASN 17 HD21 ASN 17 14.258 -43.181 -18.081 6 HD22 ASN 17 HD22 ASN 17 14.065 -44.198 -19.491 No H/Q in entry = 6 Start of MODEL 11 1 H GLY 18 H GLY 18 10.313 -42.911 -17.090 2 HA3 GLY 18 1HA GLY 18 8.347 -43.604 -18.032 3 HA2 GLY 18 2HA GLY 18 8.949 -45.267 -18.006 No H/Q in entry = 3 Start of MODEL 11 1 H LYS 19 H LYS 19 7.687 -42.691 -15.822 2 HA LYS 19 HA LYS 19 5.785 -44.534 -14.602 3 HB2 LYS 19 1HB LYS 19 7.874 -45.019 -13.320 4 HB3 LYS 19 2HB LYS 19 7.981 -43.286 -12.943 5 HG2 LYS 19 1HG LYS 19 5.805 -43.403 -11.760 6 HG3 LYS 19 2HG LYS 19 5.703 -45.136 -12.133 7 HD2 LYS 19 1HD LYS 19 7.805 -45.526 -10.871 8 HD3 LYS 19 2HD LYS 19 7.926 -43.792 -10.517 9 HE2 LYS 19 1HE LYS 19 5.632 -45.594 -9.622 10 HE3 LYS 19 2HE LYS 19 7.018 -45.123 -8.620 11 HZ2 LYS 19 1HZ LYS 19 5.048 -43.285 -9.776 12 HZ1 LYS 19 2HZ LYS 19 6.375 -42.841 -8.905 13 HZ3 LYS 19 3HZ LYS 19 5.177 -43.721 -8.191 No H/Q in entry = 13 Start of MODEL 11 1 H SER 20 H SER 20 4.093 -43.293 -14.840 2 HA SER 20 HA SER 20 3.885 -40.562 -15.209 3 HB2 SER 20 1HB SER 20 1.825 -42.454 -14.018 4 HB3 SER 20 2HB SER 20 1.479 -40.838 -14.670 5 HG SER 20 HG SER 20 2.287 -41.547 -16.676 No H/Q in entry = 5 Start of MODEL 11 1 H ASN 21 H ASN 21 3.451 -38.769 -13.995 2 HA ASN 21 HA ASN 21 3.734 -38.880 -11.060 3 HB2 ASN 21 1HB ASN 21 5.991 -39.182 -12.157 4 HB3 ASN 21 2HB ASN 21 5.783 -37.614 -12.939 5 HD21 ASN 21 HD21 ASN 21 8.005 -37.937 -11.517 6 HD22 ASN 21 HD22 ASN 21 7.931 -37.189 -9.937 No H/Q in entry = 6 Start of MODEL 11 1 H PHE 22 H PHE 22 2.503 -37.302 -10.218 2 HA PHE 22 HA PHE 22 1.439 -35.141 -11.886 3 HB2 PHE 22 1HB PHE 22 1.063 -35.878 -8.974 4 HB3 PHE 22 2HB PHE 22 0.334 -34.474 -9.741 5 HD1 PHE 22 HD1 PHE 22 0.341 -38.180 -9.630 6 HD2 PHE 22 HD2 PHE 22 -1.528 -34.679 -11.299 7 HE1 PHE 22 HE1 PHE 22 -1.629 -39.544 -10.281 8 HE2 PHE 22 HE2 PHE 22 -3.528 -36.025 -11.878 9 HZ PHE 22 HZ PHE 22 -3.572 -38.463 -11.394 No H/Q in entry = 9 Start of MODEL 11 1 H LEU 23 H LEU 23 2.264 -33.134 -12.030 2 HA LEU 23 HA LEU 23 4.602 -32.292 -10.528 3 HB2 LEU 23 1HB LEU 23 3.926 -31.576 -12.910 4 HB3 LEU 23 2HB LEU 23 2.633 -30.639 -12.167 5 HG LEU 23 HG LEU 23 4.411 -29.303 -10.929 6 HD12 LEU 23 HD11 LEU 23 6.729 -29.426 -11.803 7 HD11 LEU 23 HD12 LEU 23 6.300 -30.851 -12.769 8 HD13 LEU 23 HD13 LEU 23 6.293 -30.931 -10.991 9 HD21 LEU 23 HD21 LEU 23 4.521 -29.362 -13.958 10 HD23 LEU 23 HD22 LEU 23 5.104 -28.036 -12.925 11 HD22 LEU 23 HD23 LEU 23 3.384 -28.459 -12.925 No H/Q in entry = 11 Start of MODEL 11 1 H ASN 24 H ASN 24 4.589 -30.469 -8.956 2 HA ASN 24 HA ASN 24 1.913 -29.553 -8.063 3 HB2 ASN 24 1HB ASN 24 4.192 -30.341 -6.200 4 HB3 ASN 24 2HB ASN 24 2.654 -29.622 -5.724 5 HD21 ASN 24 HD21 ASN 24 0.648 -30.998 -6.581 6 HD22 ASN 24 HD22 ASN 24 0.794 -32.724 -6.334 No H/Q in entry = 6 Start of MODEL 11 1 H CYS 25 H CYS 25 2.613 -27.904 -9.649 2 HA CYS 25 HA CYS 25 4.775 -26.096 -8.824 3 HB2 CYS 25 1HB CYS 25 4.210 -26.300 -11.187 4 HB3 CYS 25 2HB CYS 25 2.583 -25.680 -10.881 No H/Q in entry = 4 Start of MODEL 11 1 H TYR 26 H TYR 26 4.114 -25.937 -6.608 2 HA TYR 26 HA TYR 26 1.495 -24.874 -5.892 3 HB2 TYR 26 1HB TYR 26 2.627 -26.677 -4.695 4 HB3 TYR 26 2HB TYR 26 3.954 -25.624 -4.282 5 HD1 TYR 26 HD1 TYR 26 0.722 -26.848 -3.289 6 HD2 TYR 26 HD2 TYR 26 3.594 -23.695 -2.675 7 HE1 TYR 26 HE1 TYR 26 -0.268 -26.372 -1.079 8 HE2 TYR 26 HE2 TYR 26 2.583 -23.195 -0.486 9 HH TYR 26 HH TYR 26 -0.270 -24.969 0.768 No H/Q in entry = 9 Start of MODEL 11 1 H VAL 27 H VAL 27 1.325 -22.766 -6.707 2 HA VAL 27 HA VAL 27 3.565 -20.893 -6.235 3 HB VAL 27 HB VAL 27 1.052 -20.491 -7.877 4 HG11 VAL 27 HG11 VAL 27 2.210 -18.420 -7.073 5 HG12 VAL 27 HG12 VAL 27 3.741 -19.057 -7.698 6 HG13 VAL 27 HG13 VAL 27 2.423 -18.650 -8.812 7 HG21 VAL 27 HG21 VAL 27 3.856 -21.388 -8.699 8 HG22 VAL 27 HG22 VAL 27 2.340 -22.295 -8.900 9 HG23 VAL 27 HG23 VAL 27 2.604 -20.814 -9.816 No H/Q in entry = 9 Start of MODEL 11 1 H SER 28 H SER 28 3.443 -20.160 -4.134 2 HA SER 28 HA SER 28 0.821 -19.499 -2.967 3 HB2 SER 28 1HB SER 28 2.089 -19.541 -0.842 4 HB3 SER 28 2HB SER 28 2.110 -21.054 -1.764 5 HG SER 28 HG SER 28 4.183 -20.656 -1.134 No H/Q in entry = 5 Start of MODEL 11 1 H GLY 29 H GLY 29 0.128 -17.520 -2.515 2 HA3 GLY 29 1HA GLY 29 0.152 -15.374 -1.758 3 HA2 GLY 29 2HA GLY 29 1.885 -15.534 -1.482 No H/Q in entry = 3 Start of MODEL 11 1 H PHE 30 H PHE 30 -0.105 -15.636 -4.503 2 HA PHE 30 HA PHE 30 1.535 -13.491 -5.704 3 HB2 PHE 30 1HB PHE 30 0.080 -13.910 -7.680 4 HB3 PHE 30 2HB PHE 30 1.187 -15.157 -7.149 5 HD1 PHE 30 HD1 PHE 30 0.380 -17.320 -6.316 6 HD2 PHE 30 HD2 PHE 30 -2.362 -14.268 -7.634 7 HE1 PHE 30 HE1 PHE 30 -1.463 -18.985 -6.383 8 HE2 PHE 30 HE2 PHE 30 -4.226 -15.894 -7.512 9 HZ PHE 30 HZ PHE 30 -3.770 -18.252 -6.843 No H/Q in entry = 9 Start of MODEL 11 1 H HIS 31 H HIS 31 1.026 -11.733 -4.435 2 HA HIS 31 HA HIS 31 -1.780 -10.850 -4.234 3 HB2 HIS 31 1HB HIS 31 0.787 -9.650 -3.191 4 HB3 HIS 31 2HB HIS 31 -0.762 -8.819 -3.150 5 HD1 HIS 31 HD1 HIS 31 -1.704 -8.882 -0.900 6 HD2 HIS 31 HD2 HIS 31 -0.023 -12.556 -1.986 7 HE1 HIS 31 HE1 HIS 31 -2.130 -10.491 1.006 No H/Q in entry = 7 Start of MODEL 11 1 HA PRO 32 HA PRO 32 -3.122 -9.178 -4.523 2 HB2 PRO 32 1HB PRO 32 -4.949 -8.145 -6.184 3 HB3 PRO 32 2HB PRO 32 -3.668 -7.152 -5.432 4 HG2 PRO 32 1HG PRO 32 -3.681 -8.328 -8.230 5 HG3 PRO 32 2HG PRO 32 -3.304 -6.652 -7.751 6 HD2 PRO 32 1HD PRO 32 -1.356 -8.573 -8.155 7 HD3 PRO 32 2HD PRO 32 -1.172 -7.261 -6.955 No H/Q in entry = 7 Start of MODEL 11 1 H SER 33 H SER 33 -3.126 -10.352 -7.970 2 HA SER 33 HA SER 33 -4.565 -12.779 -7.289 3 HB2 SER 33 1HB SER 33 -6.668 -12.091 -8.522 4 HB3 SER 33 2HB SER 33 -6.456 -11.311 -6.951 5 HG SER 33 HG SER 33 -7.052 -9.891 -8.695 No H/Q in entry = 5 Start of MODEL 11 1 H ASP 34 H ASP 34 -4.029 -10.404 -9.928 2 HA ASP 34 HA ASP 34 -4.812 -12.110 -11.972 3 HB2 ASP 34 1HB ASP 34 -3.065 -9.632 -12.167 4 HB3 ASP 34 2HB ASP 34 -4.047 -10.336 -13.459 No H/Q in entry = 4 Start of MODEL 11 1 H ILE 35 H ILE 35 -3.514 -14.044 -11.419 2 HA ILE 35 HA ILE 35 -0.783 -14.061 -12.503 3 HB ILE 35 HB ILE 35 -1.286 -14.904 -10.223 4 HG13 ILE 35 HG12 ILE 35 0.728 -15.405 -11.579 5 HG21 ILE 35 HG21 ILE 35 -3.431 -16.115 -10.765 6 HG22 ILE 35 HG22 ILE 35 -2.481 -17.319 -11.663 7 HG23 ILE 35 HG23 ILE 35 -2.249 -17.119 -9.921 8 HD12 ILE 35 HD11 ILE 35 -0.075 -17.702 -9.768 9 HD13 ILE 35 HD12 ILE 35 1.555 -17.222 -10.281 10 HD11 ILE 35 HD13 ILE 35 0.607 -16.137 -9.255 11 HG12 ILE 35 HG11 ILE 35 -0.025 -16.905 -12.129 No H/Q in entry = 11 Start of MODEL 11 1 H GLU 36 H GLU 36 -0.080 -15.646 -14.034 2 HA GLU 36 HA GLU 36 -2.106 -17.276 -15.475 3 HB2 GLU 36 1HB GLU 36 0.052 -15.578 -16.737 4 HB3 GLU 36 2HB GLU 36 -1.045 -16.674 -17.592 5 HG2 GLU 36 1HG GLU 36 -2.972 -15.254 -16.944 6 HG3 GLU 36 2HG GLU 36 -1.882 -14.144 -16.095 No H/Q in entry = 6 Start of MODEL 11 1 H VAL 37 H VAL 37 -1.275 -19.015 -14.244 2 HA VAL 37 HA VAL 37 1.571 -19.743 -14.524 3 HB VAL 37 HB VAL 37 -0.623 -21.225 -13.091 4 HG11 VAL 37 HG11 VAL 37 2.419 -21.400 -13.074 5 HG12 VAL 37 HG12 VAL 37 1.379 -22.232 -11.903 6 HG13 VAL 37 HG13 VAL 37 1.291 -22.662 -13.616 7 HG22 VAL 37 HG21 VAL 37 -0.425 -19.099 -12.009 8 HG23 VAL 37 HG22 VAL 37 0.562 -20.199 -11.044 9 HG21 VAL 37 HG23 VAL 37 1.350 -19.092 -12.180 No H/Q in entry = 9 Start of MODEL 11 1 H ASP 38 H ASP 38 1.643 -20.038 -16.738 2 HA ASP 38 HA ASP 38 -0.199 -21.937 -18.065 3 HB2 ASP 38 1HB ASP 38 0.096 -19.618 -18.857 4 HB3 ASP 38 2HB ASP 38 1.792 -19.950 -19.202 No H/Q in entry = 4 Start of MODEL 11 1 H LEU 39 H LEU 39 1.188 -23.593 -16.657 2 HA LEU 39 HA LEU 39 3.888 -23.996 -17.249 3 HB2 LEU 39 1HB LEU 39 3.704 -26.132 -16.135 4 HB3 LEU 39 2HB LEU 39 2.923 -24.844 -15.230 5 HG LEU 39 HG LEU 39 1.072 -26.254 -17.089 6 HD12 LEU 39 HD11 LEU 39 2.279 -27.790 -14.758 7 HD11 LEU 39 HD12 LEU 39 2.562 -28.150 -16.471 8 HD13 LEU 39 HD13 LEU 39 0.932 -28.312 -15.787 9 HD23 LEU 39 HD21 LEU 39 -0.289 -26.388 -14.997 10 HD22 LEU 39 HD22 LEU 39 0.230 -24.730 -15.337 11 HD21 LEU 39 HD23 LEU 39 1.060 -25.684 -14.087 No H/Q in entry = 11 Start of MODEL 11 1 H LEU 40 H LEU 40 5.028 -25.577 -18.265 2 HA LEU 40 HA LEU 40 3.843 -26.567 -20.819 3 HB2 LEU 40 1HB LEU 40 6.573 -25.292 -20.430 4 HB3 LEU 40 2HB LEU 40 5.824 -25.747 -21.962 5 HG LEU 40 HG LEU 40 4.924 -23.500 -20.102 6 HD12 LEU 40 HD11 LEU 40 6.218 -23.405 -22.851 7 HD11 LEU 40 HD12 LEU 40 7.045 -23.078 -21.313 8 HD13 LEU 40 HD13 LEU 40 5.731 -22.017 -21.855 9 HD22 LEU 40 HD21 LEU 40 2.978 -24.472 -21.344 10 HD21 LEU 40 HD22 LEU 40 3.877 -24.292 -22.860 11 HD23 LEU 40 HD23 LEU 40 3.386 -22.860 -21.927 No H/Q in entry = 11 Start of MODEL 11 1 H LYS 41 H LYS 41 5.296 -28.126 -21.931 2 HA LYS 41 HA LYS 41 7.287 -29.488 -20.277 3 HB2 LYS 41 1HB LYS 41 6.413 -31.707 -20.628 4 HB3 LYS 41 2HB LYS 41 5.292 -30.720 -19.679 5 HG2 LYS 41 1HG LYS 41 3.948 -30.370 -21.811 6 HG3 LYS 41 2HG LYS 41 5.017 -31.562 -22.584 7 HD2 LYS 41 1HD LYS 41 4.399 -33.207 -20.784 8 HD3 LYS 41 2HD LYS 41 3.238 -32.028 -20.159 9 HE2 LYS 41 1HE LYS 41 2.071 -33.640 -21.520 10 HE3 LYS 41 2HE LYS 41 2.050 -32.095 -22.385 11 HZ3 LYS 41 1HZ LYS 41 3.848 -32.907 -23.734 12 HZ2 LYS 41 2HZ LYS 41 2.582 -33.956 -23.792 13 HZ1 LYS 41 3HZ LYS 41 3.911 -34.318 -22.887 No H/Q in entry = 13 Start of MODEL 11 1 H ASN 42 H ASN 42 9.036 -29.604 -21.485 2 HA ASN 42 HA ASN 42 10.394 -29.293 -23.258 3 HB2 ASN 42 1HB ASN 42 8.442 -31.155 -24.676 4 HB3 ASN 42 2HB ASN 42 10.090 -30.769 -25.187 5 HD21 ASN 42 HD21 ASN 42 8.126 -32.529 -22.832 6 HD22 ASN 42 HD22 ASN 42 9.435 -33.474 -22.155 No H/Q in entry = 6 Start of MODEL 11 1 H GLY 43 H GLY 43 8.532 -27.263 -22.776 2 HA3 GLY 43 1HA GLY 43 8.127 -25.236 -23.697 3 HA2 GLY 43 2HA GLY 43 8.671 -25.807 -25.272 No H/Q in entry = 3 Start of MODEL 11 1 H GLU 44 H GLU 44 6.366 -28.100 -24.685 2 HA GLU 44 HA GLU 44 4.540 -26.699 -26.422 3 HB2 GLU 44 1HB GLU 44 3.596 -28.710 -26.886 4 HB3 GLU 44 2HB GLU 44 5.213 -29.217 -26.385 5 HG2 GLU 44 1HG GLU 44 4.177 -29.595 -24.047 6 HG3 GLU 44 2HG GLU 44 2.602 -29.351 -24.805 No H/Q in entry = 6 Start of MODEL 11 1 H ARG 45 H ARG 45 2.351 -26.243 -26.069 2 HA ARG 45 HA ARG 45 1.679 -25.293 -23.400 3 HB2 ARG 45 1HB ARG 45 -0.367 -24.451 -24.496 4 HB3 ARG 45 2HB ARG 45 1.144 -23.876 -25.205 5 HG2 ARG 45 1HG ARG 45 0.909 -25.471 -27.086 6 HG3 ARG 45 2HG ARG 45 -0.597 -26.087 -26.388 7 HD2 ARG 45 1HD ARG 45 -1.596 -23.815 -26.602 8 HD3 ARG 45 2HD ARG 45 -0.059 -23.211 -27.235 9 HE ARG 45 HE ARG 45 -0.486 -24.106 -29.283 10 HH12 ARG 45 HH11 ARG 45 -3.750 -26.286 -28.228 11 HH11 ARG 45 HH12 ARG 45 -2.789 -25.536 -26.979 12 HH21 ARG 45 HH21 ARG 45 -1.755 -25.110 -30.894 13 HH22 ARG 45 HH22 ARG 45 -3.159 -26.051 -30.450 No H/Q in entry = 13 Start of MODEL 11 1 H ILE 46 H ILE 46 0.539 -26.316 -21.902 2 HA ILE 46 HA ILE 46 -0.512 -29.020 -22.452 3 HB ILE 46 HB ILE 46 0.148 -27.521 -19.898 4 HG13 ILE 46 HG12 ILE 46 2.102 -28.180 -21.282 5 HG23 ILE 46 HG21 ILE 46 -1.664 -29.069 -19.425 6 HG21 ILE 46 HG22 ILE 46 -0.853 -30.372 -20.321 7 HG22 ILE 46 HG23 ILE 46 -0.198 -29.751 -18.789 8 HD13 ILE 46 HD11 ILE 46 3.348 -29.343 -19.644 9 HD11 ILE 46 HD12 ILE 46 2.177 -28.358 -18.756 10 HD12 ILE 46 HD13 ILE 46 1.927 -30.113 -18.953 11 HG12 ILE 46 HG11 ILE 46 1.517 -29.848 -21.330 No H/Q in entry = 11 Start of MODEL 11 1 H GLU 47 H GLU 47 -2.636 -29.014 -23.108 2 HA GLU 47 HA GLU 47 -4.596 -27.132 -21.939 3 HB2 GLU 47 1HB GLU 47 -4.772 -29.201 -24.156 4 HB3 GLU 47 2HB GLU 47 -6.145 -28.265 -23.555 5 HG2 GLU 47 1HG GLU 47 -5.364 -27.181 -25.508 6 HG3 GLU 47 2HG GLU 47 -5.047 -26.152 -24.109 No H/Q in entry = 6 Start of MODEL 11 1 H LYS 48 H LYS 48 -3.428 -28.909 -20.067 2 HA LYS 48 HA LYS 48 -5.831 -30.119 -18.946 3 HB2 LYS 48 1HB LYS 48 -3.351 -31.830 -19.462 4 HB3 LYS 48 2HB LYS 48 -4.700 -32.245 -18.393 5 HG2 LYS 48 1HG LYS 48 -6.227 -31.985 -20.453 6 HG3 LYS 48 2HG LYS 48 -4.723 -32.036 -21.408 7 HD2 LYS 48 1HD LYS 48 -4.166 -34.209 -20.228 8 HD3 LYS 48 2HD LYS 48 -5.750 -34.119 -19.427 9 HE2 LYS 48 1HE LYS 48 -6.851 -34.105 -21.680 10 HE3 LYS 48 2HE LYS 48 -5.254 -34.306 -22.430 11 HZ1 LYS 48 1HZ LYS 48 -5.024 -36.353 -21.222 12 HZ3 LYS 48 2HZ LYS 48 -6.376 -36.387 -22.167 13 HZ2 LYS 48 3HZ LYS 48 -6.511 -36.164 -20.538 No H/Q in entry = 13 Start of MODEL 11 1 H VAL 49 H VAL 49 -5.043 -27.928 -18.005 2 HA VAL 49 HA VAL 49 -3.061 -28.281 -15.841 3 HB VAL 49 HB VAL 49 -4.741 -25.920 -16.648 4 HG11 VAL 49 HG11 VAL 49 -2.503 -26.273 -14.631 5 HG12 VAL 49 HG12 VAL 49 -2.971 -24.683 -15.271 6 HG13 VAL 49 HG13 VAL 49 -4.135 -25.650 -14.353 7 HG21 VAL 49 HG21 VAL 49 -1.841 -26.651 -17.271 8 HG22 VAL 49 HG22 VAL 49 -3.172 -26.466 -18.434 9 HG23 VAL 49 HG23 VAL 49 -2.557 -25.053 -17.573 No H/Q in entry = 9 Start of MODEL 11 1 H GLU 50 H GLU 50 -3.931 -29.546 -14.297 2 HA GLU 50 HA GLU 50 -6.730 -29.162 -13.322 3 HB2 GLU 50 1HB GLU 50 -4.646 -31.280 -12.624 4 HB3 GLU 50 2HB GLU 50 -6.233 -31.103 -11.873 5 HG2 GLU 50 1HG GLU 50 -6.406 -32.843 -13.492 6 HG3 GLU 50 2HG GLU 50 -7.332 -31.452 -14.071 No H/Q in entry = 6 Start of MODEL 11 1 H HIS 51 H HIS 51 -7.044 -28.096 -11.373 2 HA HIS 51 HA HIS 51 -4.747 -27.391 -9.677 3 HB2 HIS 51 1HB HIS 51 -5.091 -24.976 -10.085 4 HB3 HIS 51 2HB HIS 51 -4.544 -25.822 -11.527 5 HD1 HIS 51 HD1 HIS 51 -6.104 -25.915 -13.575 6 HD2 HIS 51 HD2 HIS 51 -7.870 -24.154 -10.208 7 HE1 HIS 51 HE1 HIS 51 -8.269 -24.833 -14.338 No H/Q in entry = 7 Start of MODEL 11 1 H SER 52 H SER 52 -5.424 -26.123 -7.797 2 HA SER 52 HA SER 52 -7.849 -27.292 -6.712 3 HB2 SER 52 1HB SER 52 -7.050 -26.274 -4.601 4 HB3 SER 52 2HB SER 52 -5.832 -27.268 -5.407 5 HG SER 52 HG SER 52 -4.990 -25.267 -4.680 No H/Q in entry = 5 Start of MODEL 11 1 H ASP 53 H ASP 53 -7.428 -24.262 -5.297 2 HA ASP 53 HA ASP 53 -9.358 -22.802 -6.970 3 HB2 ASP 53 1HB ASP 53 -9.902 -23.579 -4.063 4 HB3 ASP 53 2HB ASP 53 -10.839 -22.407 -4.996 No H/Q in entry = 4 Start of MODEL 11 1 H LEU 54 H LEU 54 -9.625 -20.590 -6.120 2 HA LEU 54 HA LEU 54 -7.112 -19.416 -5.350 3 HB2 LEU 54 1HB LEU 54 -8.783 -18.387 -6.900 4 HB3 LEU 54 2HB LEU 54 -9.907 -18.232 -5.548 5 HG LEU 54 HG LEU 54 -8.090 -16.851 -4.384 6 HD13 LEU 54 HD11 LEU 54 -6.142 -17.434 -5.800 7 HD12 LEU 54 HD12 LEU 54 -6.473 -15.701 -5.923 8 HD11 LEU 54 HD13 LEU 54 -6.969 -16.786 -7.231 9 HD21 LEU 54 HD21 LEU 54 -10.116 -15.862 -5.363 10 HD23 LEU 54 HD22 LEU 54 -9.331 -15.793 -6.957 11 HD22 LEU 54 HD23 LEU 54 -8.723 -14.795 -5.616 No H/Q in entry = 11 Start of MODEL 11 1 H SER 55 H SER 55 -6.622 -20.397 -3.399 2 HA SER 55 HA SER 55 -8.547 -20.381 -1.167 3 HB2 SER 55 1HB SER 55 -5.913 -21.849 -1.571 4 HB3 SER 55 2HB SER 55 -7.036 -22.049 -0.205 5 HG SER 55 HG SER 55 -8.620 -22.702 -1.698 No H/Q in entry = 5 Start of MODEL 11 1 H PHE 56 H PHE 56 -8.409 -18.913 0.393 2 HA PHE 56 HA PHE 56 -6.143 -17.106 0.666 3 HB2 PHE 56 1HB PHE 56 -8.664 -17.410 2.345 4 HB3 PHE 56 2HB PHE 56 -7.538 -16.059 2.378 5 HD1 PHE 56 HD1 PHE 56 -10.152 -17.807 0.371 6 HD2 PHE 56 HD2 PHE 56 -7.691 -14.279 0.713 7 HE1 PHE 56 HE1 PHE 56 -11.478 -16.706 -1.402 8 HE2 PHE 56 HE2 PHE 56 -9.106 -13.141 -0.974 9 HZ PHE 56 HZ PHE 56 -10.972 -14.365 -2.066 No H/Q in entry = 9 Start of MODEL 11 1 H SER 57 H SER 57 -4.342 -17.753 1.785 2 HA SER 57 HA SER 57 -4.276 -20.006 3.546 3 HB2 SER 57 1HB SER 57 -2.312 -19.222 2.274 4 HB3 SER 57 2HB SER 57 -2.282 -17.728 3.223 5 HG SER 57 HG SER 57 -2.033 -19.095 5.090 No H/Q in entry = 5 Start of MODEL 11 1 H LYS 58 H LYS 58 -3.619 -16.565 4.333 2 HA LYS 58 HA LYS 58 -5.494 -16.426 6.467 3 HB2 LYS 58 1HB LYS 58 -3.932 -16.140 8.356 4 HB3 LYS 58 2HB LYS 58 -3.998 -17.786 7.735 5 HG2 LYS 58 1HG LYS 58 -1.861 -17.350 6.465 6 HG3 LYS 58 2HG LYS 58 -1.761 -15.770 7.276 7 HD2 LYS 58 1HD LYS 58 -1.741 -16.871 9.473 8 HD3 LYS 58 2HD LYS 58 -1.890 -18.461 8.693 9 HE2 LYS 58 1HE LYS 58 0.265 -18.089 7.520 10 HE3 LYS 58 2HE LYS 58 0.426 -16.509 8.313 11 HZ2 LYS 58 1HZ LYS 58 1.651 -18.234 9.427 12 HZ1 LYS 58 2HZ LYS 58 0.270 -19.096 9.691 13 HZ3 LYS 58 3HZ LYS 58 0.474 -17.626 10.409 No H/Q in entry = 13 Start of MODEL 11 1 H ASP 59 H ASP 59 -2.343 -15.076 5.316 2 HA ASP 59 HA ASP 59 -3.383 -12.322 5.691 3 HB2 ASP 59 1HB ASP 59 -1.093 -13.102 6.497 4 HB3 ASP 59 2HB ASP 59 -0.610 -13.202 4.803 No H/Q in entry = 4 Start of MODEL 11 1 H GLY 60 H GLY 60 -4.887 -13.558 3.859 2 HA3 GLY 60 1HA GLY 60 -5.642 -13.595 1.725 3 HA2 GLY 60 2HA GLY 60 -4.819 -12.038 1.554 No H/Q in entry = 3 Start of MODEL 11 1 H SER 61 H SER 61 -2.967 -15.008 2.178 2 HA SER 61 HA SER 61 -1.556 -14.577 -0.367 3 HB2 SER 61 1HB SER 61 -0.890 -16.357 2.000 4 HB3 SER 61 2HB SER 61 0.139 -16.043 0.592 5 HG SER 61 HG SER 61 -0.093 -13.759 1.187 No H/Q in entry = 5 Start of MODEL 11 1 H PHE 62 H PHE 62 -1.938 -15.737 -2.106 2 HA PHE 62 HA PHE 62 -4.029 -17.755 -1.995 3 HB2 PHE 62 1HB PHE 62 -2.688 -16.278 -4.272 4 HB3 PHE 62 2HB PHE 62 -4.073 -17.375 -4.414 5 HD1 PHE 62 HD1 PHE 62 -6.183 -16.862 -3.102 6 HD2 PHE 62 HD2 PHE 62 -3.025 -13.969 -3.556 7 HE1 PHE 62 HE1 PHE 62 -7.805 -15.034 -2.718 8 HE2 PHE 62 HE2 PHE 62 -4.605 -12.165 -2.933 9 HZ PHE 62 HZ PHE 62 -7.015 -12.673 -2.605 No H/Q in entry = 9 Start of MODEL 11 1 H TYR 63 H TYR 63 -3.266 -19.766 -1.480 2 HA TYR 63 HA TYR 63 -0.816 -20.784 -2.762 3 HB2 TYR 63 1HB TYR 63 -0.800 -22.485 -1.241 4 HB3 TYR 63 2HB TYR 63 -0.968 -20.945 -0.411 5 HD1 TYR 63 HD1 TYR 63 -2.238 -24.302 -0.696 6 HD2 TYR 63 HD2 TYR 63 -3.334 -20.299 0.481 7 HE1 TYR 63 HE1 TYR 63 -4.158 -25.199 0.575 8 HE2 TYR 63 HE2 TYR 63 -5.273 -21.206 1.728 9 HH TYR 63 HH TYR 63 -5.991 -24.705 1.878 No H/Q in entry = 9 Start of MODEL 11 1 H LEU 64 H LEU 64 -1.563 -20.928 -4.825 2 HA LEU 64 HA LEU 64 -3.644 -22.968 -5.416 3 HB2 LEU 64 1HB LEU 64 -3.610 -20.460 -6.099 4 HB3 LEU 64 2HB LEU 64 -2.683 -21.047 -7.483 5 HG LEU 64 HG LEU 64 -5.409 -22.035 -6.519 6 HD11 LEU 64 HD11 LEU 64 -4.699 -20.308 -8.908 7 HD13 LEU 64 HD12 LEU 64 -5.548 -19.790 -7.436 8 HD12 LEU 64 HD13 LEU 64 -6.311 -20.952 -8.532 9 HD22 LEU 64 HD21 LEU 64 -4.332 -23.886 -7.616 10 HD21 LEU 64 HD22 LEU 64 -3.850 -22.863 -8.987 11 HD23 LEU 64 HD23 LEU 64 -5.565 -23.214 -8.686 No H/Q in entry = 11 Start of MODEL 11 1 H LEU 65 H LEU 65 -2.752 -24.985 -5.971 2 HA LEU 65 HA LEU 65 -0.169 -25.051 -7.414 3 HB2 LEU 65 1HB LEU 65 0.350 -27.027 -6.598 4 HB3 LEU 65 2HB LEU 65 -0.527 -26.336 -5.232 5 HG LEU 65 HG LEU 65 -1.571 -28.287 -7.289 6 HD11 LEU 65 HD11 LEU 65 0.121 -29.236 -5.769 7 HD13 LEU 65 HD12 LEU 65 -1.474 -29.969 -5.515 8 HD12 LEU 65 HD13 LEU 65 -0.859 -28.755 -4.370 9 HD21 LEU 65 HD21 LEU 65 -2.903 -27.240 -4.742 10 HD23 LEU 65 HD22 LEU 65 -3.514 -28.594 -5.715 11 HD22 LEU 65 HD23 LEU 65 -3.463 -26.970 -6.405 No H/Q in entry = 11 Start of MODEL 11 1 H TYR 66 H TYR 66 0.156 -26.384 -9.228 2 HA TYR 66 HA TYR 66 -2.269 -26.727 -10.948 3 HB2 TYR 66 1HB TYR 66 0.335 -25.352 -11.681 4 HB3 TYR 66 2HB TYR 66 -1.027 -25.676 -12.751 5 HD1 TYR 66 HD1 TYR 66 -2.980 -24.227 -12.769 6 HD2 TYR 66 HD2 TYR 66 0.148 -23.643 -9.865 7 HE1 TYR 66 HE1 TYR 66 -3.830 -21.949 -12.302 8 HE2 TYR 66 HE2 TYR 66 -0.749 -21.401 -9.350 9 HH TYR 66 HH TYR 66 -2.250 -19.775 -9.928 No H/Q in entry = 9 Start of MODEL 11 1 H TYR 67 H TYR 67 -2.254 -28.902 -10.890 2 HA TYR 67 HA TYR 67 0.286 -30.379 -11.004 3 HB2 TYR 67 1HB TYR 67 -0.908 -32.117 -9.847 4 HB3 TYR 67 2HB TYR 67 -0.841 -30.586 -8.995 5 HD1 TYR 67 HD1 TYR 67 -2.907 -29.127 -8.816 6 HD2 TYR 67 HD2 TYR 67 -3.029 -33.210 -10.195 7 HE1 TYR 67 HE1 TYR 67 -5.285 -29.281 -8.170 8 HE2 TYR 67 HE2 TYR 67 -5.454 -33.288 -9.729 9 HH TYR 67 HH TYR 67 -7.226 -30.502 -8.328 No H/Q in entry = 9 Start of MODEL 11 1 H THR 68 H THR 68 0.546 -30.592 -13.315 2 HA THR 68 HA THR 68 -1.475 -32.120 -14.824 3 HB THR 68 HB THR 68 -0.234 -30.296 -15.898 4 HG1 THR 68 HG1 THR 68 -1.067 -32.006 -17.097 5 HG21 THR 68 HG21 THR 68 2.020 -30.652 -14.800 6 HG23 THR 68 HG22 THR 68 2.091 -30.556 -16.568 7 HG22 THR 68 HG23 THR 68 2.213 -32.125 -15.775 No H/Q in entry = 7 Start of MODEL 11 1 H GLU 69 H GLU 69 -1.304 -34.299 -15.335 2 HA GLU 69 HA GLU 69 0.666 -35.906 -13.839 3 HB2 GLU 69 1HB GLU 69 -1.768 -36.456 -13.877 4 HB3 GLU 69 2HB GLU 69 -1.625 -36.847 -15.592 5 HG2 GLU 69 1HG GLU 69 0.105 -38.560 -15.050 6 HG3 GLU 69 2HG GLU 69 0.025 -38.107 -13.341 No H/Q in entry = 6 Start of MODEL 11 1 H PHE 70 H PHE 70 2.585 -35.349 -14.948 2 HA PHE 70 HA PHE 70 2.770 -35.876 -17.842 3 HB2 PHE 70 1HB PHE 70 4.936 -34.985 -17.691 4 HB3 PHE 70 2HB PHE 70 3.809 -33.877 -16.918 5 HD1 PHE 70 HD1 PHE 70 3.896 -33.493 -14.469 6 HD2 PHE 70 HD2 PHE 70 6.714 -36.112 -16.413 7 HE1 PHE 70 HE1 PHE 70 5.311 -33.511 -12.426 8 HE2 PHE 70 HE2 PHE 70 8.111 -36.118 -14.361 9 HZ PHE 70 HZ PHE 70 7.373 -34.860 -12.350 No H/Q in entry = 9 Start of MODEL 11 1 H THR 71 H THR 71 3.940 -37.539 -18.755 2 HA THR 71 HA THR 71 4.867 -39.728 -17.008 3 HB THR 71 HB THR 71 4.383 -39.722 -19.972 4 HG1 THR 71 HG1 THR 71 2.506 -39.363 -18.730 5 HG23 THR 71 HG21 THR 71 4.392 -42.173 -19.632 6 HG22 THR 71 HG22 THR 71 4.760 -41.958 -17.911 7 HG21 THR 71 HG23 THR 71 5.956 -41.502 -19.140 No H/Q in entry = 7 Start of MODEL 11 1 HA PRO 72 HA PRO 72 8.995 -37.991 -18.264 2 HB2 PRO 72 1HB PRO 72 10.432 -38.666 -16.091 3 HB3 PRO 72 2HB PRO 72 9.217 -37.364 -16.039 4 HG2 PRO 72 1HG PRO 72 8.855 -40.240 -15.140 5 HG3 PRO 72 2HG PRO 72 8.440 -38.753 -14.248 6 HD2 PRO 72 1HD PRO 72 6.644 -40.186 -15.801 7 HD3 PRO 72 2HD PRO 72 6.516 -38.422 -15.526 No H/Q in entry = 7 Start of MODEL 11 1 H THR 73 H THR 73 8.883 -39.554 -20.007 2 HA THR 73 HA THR 73 9.618 -42.320 -19.653 3 HB THR 73 HB THR 73 9.966 -42.222 -22.137 4 HG1 THR 73 HG1 THR 73 9.321 -40.302 -23.167 5 HG21 THR 73 HG21 THR 73 7.749 -42.756 -21.127 6 HG23 THR 73 HG22 THR 73 7.601 -41.912 -22.680 7 HG22 THR 73 HG23 THR 73 7.329 -41.029 -21.168 No H/Q in entry = 7 Start of MODEL 11 1 H GLU 74 H GLU 74 11.465 -39.841 -21.455 2 HA GLU 74 HA GLU 74 13.718 -39.790 -19.788 3 HB2 GLU 74 1HB GLU 74 15.366 -40.931 -21.376 4 HB3 GLU 74 2HB GLU 74 14.375 -41.959 -20.360 5 HG2 GLU 74 1HG GLU 74 14.527 -42.951 -22.524 6 HG3 GLU 74 2HG GLU 74 12.861 -42.449 -22.269 No H/Q in entry = 6 Start of MODEL 11 1 H LYS 75 H LYS 75 15.371 -38.407 -20.595 2 HA LYS 75 HA LYS 75 16.076 -36.484 -21.497 3 HB2 LYS 75 1HB LYS 75 14.988 -37.688 -24.072 4 HB3 LYS 75 2HB LYS 75 16.159 -36.364 -23.958 5 HG2 LYS 75 1HG LYS 75 17.769 -37.827 -22.812 6 HG3 LYS 75 2HG LYS 75 16.616 -39.174 -22.875 7 HD2 LYS 75 1HD LYS 75 16.603 -39.015 -25.371 8 HD3 LYS 75 2HD LYS 75 17.859 -37.763 -25.271 9 HE2 LYS 75 1HE LYS 75 19.372 -39.358 -24.138 10 HE3 LYS 75 2HE LYS 75 18.100 -40.596 -24.147 11 HZ3 LYS 75 1HZ LYS 75 19.629 -40.922 -25.915 12 HZ2 LYS 75 2HZ LYS 75 19.343 -39.415 -26.523 13 HZ1 LYS 75 3HZ LYS 75 18.143 -40.547 -26.523 No H/Q in entry = 13 Start of MODEL 11 1 H ASP 76 H ASP 76 13.263 -36.516 -20.467 2 HA ASP 76 HA ASP 76 11.908 -34.463 -22.097 3 HB2 ASP 76 1HB ASP 76 11.128 -35.769 -19.474 4 HB3 ASP 76 2HB ASP 76 10.092 -34.783 -20.526 No H/Q in entry = 4 Start of MODEL 11 1 H GLU 77 H GLU 77 10.990 -32.550 -20.838 2 HA GLU 77 HA GLU 77 12.226 -31.963 -18.289 3 HB2 GLU 77 1HB GLU 77 13.277 -29.919 -18.760 4 HB3 GLU 77 2HB GLU 77 13.875 -31.060 -19.950 5 HG2 GLU 77 1HG GLU 77 13.525 -29.168 -21.228 6 HG3 GLU 77 2HG GLU 77 12.063 -30.101 -21.551 No H/Q in entry = 6 Start of MODEL 11 1 H TYR 78 H TYR 78 10.716 -31.207 -17.018 2 HA TYR 78 HA TYR 78 8.232 -30.019 -18.110 3 HB2 TYR 78 1HB TYR 78 8.838 -31.236 -15.425 4 HB3 TYR 78 2HB TYR 78 7.267 -30.717 -16.021 5 HD1 TYR 78 HD1 TYR 78 9.943 -33.248 -16.353 6 HD2 TYR 78 HD2 TYR 78 6.156 -31.935 -17.899 7 HE1 TYR 78 HE1 TYR 78 9.764 -35.340 -17.654 8 HE2 TYR 78 HE2 TYR 78 6.130 -33.885 -19.437 9 HH TYR 78 HH TYR 78 8.649 -36.406 -19.403 No H/Q in entry = 9 Start of MODEL 11 1 H ALA 79 H ALA 79 7.598 -27.903 -17.470 2 HA ALA 79 HA ALA 79 9.281 -26.417 -15.542 3 HB2 ALA 79 1HB ALA 79 9.928 -24.782 -17.263 4 HB1 ALA 79 2HB ALA 79 10.547 -26.391 -17.662 5 HB3 ALA 79 3HB ALA 79 9.124 -25.753 -18.514 No H/Q in entry = 5 Start of MODEL 11 1 H CYS 80 H CYS 80 8.065 -25.082 -14.405 2 HA CYS 80 HA CYS 80 5.332 -24.456 -15.285 3 HB2 CYS 80 1HB CYS 80 5.851 -25.397 -13.045 4 HB3 CYS 80 2HB CYS 80 6.692 -23.898 -12.639 No H/Q in entry = 4 Start of MODEL 11 1 H ARG 81 H ARG 81 4.945 -22.596 -16.362 2 HA ARG 81 HA ARG 81 6.897 -20.388 -16.428 3 HB2 ARG 81 1HB ARG 81 6.208 -21.225 -18.548 4 HB3 ARG 81 2HB ARG 81 4.502 -21.174 -18.079 5 HG2 ARG 81 1HG ARG 81 4.586 -18.714 -17.920 6 HG3 ARG 81 2HG ARG 81 6.289 -18.727 -18.415 7 HD2 ARG 81 1HD ARG 81 5.678 -19.539 -20.608 8 HD3 ARG 81 2HD ARG 81 4.051 -19.967 -20.049 9 HE ARG 81 HE ARG 81 4.848 -17.135 -19.828 10 HH12 ARG 81 HH11 ARG 81 1.869 -18.291 -22.326 11 HH11 ARG 81 HH12 ARG 81 2.876 -19.525 -21.621 12 HH21 ARG 81 HH21 ARG 81 3.482 -15.592 -20.735 13 HH22 ARG 81 HH22 ARG 81 2.192 -16.071 -21.814 No H/Q in entry = 13 Start of MODEL 11 1 H VAL 82 H VAL 82 6.550 -19.007 -14.694 2 HA VAL 82 HA VAL 82 3.768 -18.591 -13.719 3 HB VAL 82 HB VAL 82 6.380 -18.013 -12.280 4 HG13 VAL 82 HG11 VAL 82 4.936 -18.062 -10.315 5 HG11 VAL 82 HG12 VAL 82 4.274 -16.883 -11.466 6 HG12 VAL 82 HG13 VAL 82 3.529 -18.488 -11.309 7 HG21 VAL 82 HG21 VAL 82 4.668 -20.533 -12.250 8 HG22 VAL 82 HG22 VAL 82 6.382 -20.410 -12.706 9 HG23 VAL 82 HG23 VAL 82 5.897 -20.135 -11.035 No H/Q in entry = 9 Start of MODEL 11 1 H ASN 83 H ASN 83 3.336 -17.123 -15.548 2 HA ASN 83 HA ASN 83 4.586 -14.450 -15.430 3 HB2 ASN 83 1HB ASN 83 2.288 -15.658 -16.997 4 HB3 ASN 83 2HB ASN 83 2.584 -13.916 -16.941 5 HD21 ASN 83 HD21 ASN 83 3.650 -13.207 -18.706 6 HD22 ASN 83 HD22 ASN 83 4.902 -14.078 -19.559 No H/Q in entry = 6 Start of MODEL 11 1 H HIS 84 H HIS 84 3.658 -12.697 -14.445 2 HA HIS 84 HA HIS 84 1.080 -12.820 -13.092 3 HB2 HIS 84 1HB HIS 84 2.600 -13.951 -11.470 4 HB3 HIS 84 2HB HIS 84 3.702 -12.578 -11.557 5 HD2 HIS 84 HD2 HIS 84 -0.190 -12.786 -10.648 6 HE1 HIS 84 HE1 HIS 84 1.896 -10.559 -7.729 7 HE2 HIS 84 HE2 HIS 84 -0.413 -11.424 -8.431 No H/Q in entry = 7 Start of MODEL 11 1 H VAL 85 H VAL 85 0.456 -10.683 -12.369 2 HA VAL 85 HA VAL 85 1.100 -8.695 -14.190 3 HB VAL 85 HB VAL 85 -0.982 -8.767 -13.040 4 HG13 VAL 85 HG11 VAL 85 -1.284 -8.072 -10.707 5 HG11 VAL 85 HG12 VAL 85 -0.302 -9.536 -10.799 6 HG12 VAL 85 HG13 VAL 85 0.471 -7.968 -10.481 7 HG22 VAL 85 HG21 VAL 85 -1.310 -6.421 -12.573 8 HG23 VAL 85 HG22 VAL 85 0.423 -6.170 -12.295 9 HG21 VAL 85 HG23 VAL 85 -0.169 -6.586 -13.921 No H/Q in entry = 9 Start of MODEL 11 1 H THR 86 H THR 86 2.619 -9.258 -11.000 2 HA THR 86 HA THR 86 4.074 -6.767 -11.002 3 HB THR 86 HB THR 86 5.281 -7.661 -9.125 4 HG1 THR 86 HG1 THR 86 4.024 -10.130 -9.699 5 HG21 THR 86 HG21 THR 86 2.337 -8.464 -8.991 6 HG23 THR 86 HG22 THR 86 3.007 -6.859 -8.667 7 HG22 THR 86 HG23 THR 86 3.417 -8.231 -7.611 No H/Q in entry = 7 Start of MODEL 11 1 H LEU 87 H LEU 87 4.785 -10.076 -12.150 2 HA LEU 87 HA LEU 87 7.595 -9.497 -12.680 3 HB2 LEU 87 1HB LEU 87 5.859 -11.841 -13.508 4 HB3 LEU 87 2HB LEU 87 7.614 -11.761 -13.618 5 HG LEU 87 HG LEU 87 6.034 -11.654 -10.999 6 HD11 LEU 87 HD11 LEU 87 7.578 -13.913 -12.335 7 HD13 LEU 87 HD12 LEU 87 5.821 -13.828 -12.079 8 HD12 LEU 87 HD13 LEU 87 6.913 -13.955 -10.690 9 HD21 LEU 87 HD21 LEU 87 9.028 -11.880 -11.550 10 HD23 LEU 87 HD22 LEU 87 8.261 -12.072 -9.961 11 HD22 LEU 87 HD23 LEU 87 8.201 -10.508 -10.779 No H/Q in entry = 11 Start of MODEL 11 1 H SER 88 H SER 88 8.276 -8.388 -14.380 2 HA SER 88 HA SER 88 6.685 -7.756 -16.683 3 HB2 SER 88 1HB SER 88 8.512 -6.338 -15.794 4 HB3 SER 88 2HB SER 88 9.697 -7.583 -16.239 5 HG SER 88 HG SER 88 9.453 -5.925 -17.817 No H/Q in entry = 5 Start of MODEL 11 1 H GLN 89 H GLN 89 9.308 -10.103 -16.026 2 HA GLN 89 HA GLN 89 9.235 -11.091 -18.785 3 HB2 GLN 89 1HB GLN 89 11.239 -12.400 -18.087 4 HB3 GLN 89 2HB GLN 89 11.372 -10.648 -17.990 5 HG2 GLN 89 1HG GLN 89 12.490 -11.640 -16.123 6 HG3 GLN 89 2HG GLN 89 11.111 -10.726 -15.532 7 HE21 GLN 89 HE21 GLN 89 10.054 -11.780 -13.893 8 HE22 GLN 89 HE22 GLN 89 9.917 -13.516 -13.726 No H/Q in entry = 8 Start of MODEL 11 1 HA PRO 90 HA PRO 90 6.967 -14.791 -17.639 2 HB2 PRO 90 1HB PRO 90 7.635 -16.530 -19.625 3 HB3 PRO 90 2HB PRO 90 6.674 -15.064 -19.945 4 HG2 PRO 90 1HG PRO 90 9.652 -15.405 -20.344 5 HG3 PRO 90 2HG PRO 90 8.458 -14.736 -21.487 6 HD2 PRO 90 1HD PRO 90 9.987 -13.151 -19.864 7 HD3 PRO 90 2HD PRO 90 8.310 -12.712 -20.290 No H/Q in entry = 7 Start of MODEL 11 1 H LYS 91 H LYS 91 7.543 -16.014 -15.887 2 HA LYS 91 HA LYS 91 10.399 -16.597 -15.460 3 HB2 LYS 91 1HB LYS 91 9.017 -15.403 -13.781 4 HB3 LYS 91 2HB LYS 91 8.046 -16.865 -13.567 5 HG2 LYS 91 1HG LYS 91 10.089 -18.114 -12.890 6 HG3 LYS 91 2HG LYS 91 11.063 -16.656 -13.162 7 HD2 LYS 91 1HD LYS 91 9.820 -15.479 -11.369 8 HD3 LYS 91 2HD LYS 91 8.768 -16.892 -11.166 9 HE2 LYS 91 1HE LYS 91 10.443 -16.952 -9.421 10 HE3 LYS 91 2HE LYS 91 10.756 -18.268 -10.567 11 HZ1 LYS 91 1HZ LYS 91 12.441 -16.887 -11.571 12 HZ3 LYS 91 2HZ LYS 91 12.752 -17.171 -9.979 13 HZ2 LYS 91 3HZ LYS 91 12.171 -15.703 -10.454 No H/Q in entry = 13 Start of MODEL 11 1 H ILE 92 H ILE 92 10.688 -18.332 -16.941 2 HA ILE 92 HA ILE 92 9.183 -20.823 -16.650 3 HB ILE 92 HB ILE 92 11.649 -20.024 -18.233 4 HG13 ILE 92 HG12 ILE 92 8.824 -20.916 -19.025 5 HG21 ILE 92 HG21 ILE 92 10.296 -22.744 -18.108 6 HG22 ILE 92 HG22 ILE 92 11.550 -22.272 -19.266 7 HG23 ILE 92 HG23 ILE 92 11.951 -22.399 -17.558 8 HD11 ILE 92 HD11 ILE 92 10.283 -18.269 -19.438 9 HD12 ILE 92 HD12 ILE 92 8.799 -18.749 -20.285 10 HD13 ILE 92 HD13 ILE 92 8.764 -18.526 -18.539 11 HG12 ILE 92 HG11 ILE 92 10.162 -20.672 -20.151 No H/Q in entry = 11 Start of MODEL 11 1 H VAL 93 H VAL 93 9.342 -21.738 -14.696 2 HA VAL 93 HA VAL 93 11.863 -21.832 -13.189 3 HB VAL 93 HB VAL 93 9.110 -23.010 -12.571 4 HG12 VAL 93 HG11 VAL 93 10.061 -23.093 -10.232 5 HG13 VAL 93 HG12 VAL 93 10.829 -24.226 -11.342 6 HG11 VAL 93 HG13 VAL 93 11.651 -22.709 -10.911 7 HG23 VAL 93 HG21 VAL 93 10.424 -20.505 -11.483 8 HG21 VAL 93 HG22 VAL 93 9.073 -20.533 -12.644 9 HG22 VAL 93 HG23 VAL 93 8.846 -21.205 -11.028 No H/Q in entry = 9 Start of MODEL 11 1 H LYS 94 H LYS 94 12.965 -23.771 -12.789 2 HA LYS 94 HA LYS 94 12.447 -26.016 -14.688 3 HB2 LYS 94 1HB LYS 94 14.907 -25.315 -13.043 4 HB3 LYS 94 2HB LYS 94 14.733 -26.670 -14.176 5 HG2 LYS 94 1HG LYS 94 14.296 -25.032 -16.020 6 HG3 LYS 94 2HG LYS 94 14.561 -23.698 -14.880 7 HD2 LYS 94 1HD LYS 94 16.851 -24.556 -14.408 8 HD3 LYS 94 2HD LYS 94 16.597 -25.861 -15.587 9 HE2 LYS 94 1HE LYS 94 16.252 -24.153 -17.374 10 HE3 LYS 94 2HE LYS 94 16.543 -22.867 -16.184 11 HZ1 LYS 94 1HZ LYS 94 18.733 -23.775 -15.854 12 HZ3 LYS 94 2HZ LYS 94 18.495 -23.357 -17.431 13 HZ2 LYS 94 3HZ LYS 94 18.457 -24.943 -16.984 No H/Q in entry = 13 Start of MODEL 11 1 H TRP 95 H TRP 95 11.048 -27.410 -13.745 2 HA TRP 95 HA TRP 95 10.701 -28.074 -11.043 3 HB2 TRP 95 1HB TRP 95 9.190 -28.955 -12.725 4 HB3 TRP 95 2HB TRP 95 10.524 -29.705 -13.583 5 HD1 TRP 95 HD1 TRP 95 9.330 -30.086 -9.908 6 HE1 TRP 95 HE1 TRP 95 9.306 -32.596 -9.331 7 HE3 TRP 95 HE3 TRP 95 10.792 -31.959 -14.412 8 HZ2 TRP 95 HZ2 TRP 95 9.853 -35.084 -10.661 9 HZ3 TRP 95 HZ3 TRP 95 10.989 -34.429 -14.747 10 HH2 TRP 95 HH2 TRP 95 10.438 -35.981 -12.906 No H/Q in entry = 10 Start of MODEL 11 1 H ASP 96 H ASP 96 12.261 -28.615 -9.653 2 HA ASP 96 HA ASP 96 14.827 -29.695 -10.489 3 HB2 ASP 96 1HB ASP 96 13.702 -29.081 -7.728 4 HB3 ASP 96 2HB ASP 96 15.395 -29.430 -8.117 No H/Q in entry = 4 Start of MODEL 11 1 H ARG 97 H ARG 97 14.088 -31.727 -11.399 2 HA ARG 97 HA ARG 97 12.710 -33.673 -9.859 3 HB2 ARG 97 1HB ARG 97 12.948 -35.106 -11.627 4 HB3 ARG 97 2HB ARG 97 12.924 -33.510 -12.387 5 HG2 ARG 97 1HG ARG 97 15.363 -35.273 -11.915 6 HG3 ARG 97 2HG ARG 97 14.504 -35.038 -13.433 7 HD2 ARG 97 1HD ARG 97 15.071 -32.625 -13.417 8 HD3 ARG 97 2HD ARG 97 16.046 -32.855 -11.961 9 HE ARG 97 HE ARG 97 16.748 -33.499 -14.679 10 HH12 ARG 97 HH11 ARG 97 18.851 -35.278 -11.684 11 HH11 ARG 97 HH12 ARG 97 17.313 -34.543 -11.321 12 HH21 ARG 97 HH21 ARG 97 18.752 -34.488 -15.128 13 HH22 ARG 97 HH22 ARG 97 19.662 -35.259 -13.849 No H/Q in entry = 13 Start of MODEL 11 1 H ASP 98 H ASP 98 16.067 -32.738 -9.820 2 HA ASP 98 HA ASP 98 17.249 -35.202 -9.091 3 HB2 ASP 98 1HB ASP 98 18.356 -33.033 -9.923 4 HB3 ASP 98 2HB ASP 98 18.230 -32.444 -8.264 No H/Q in entry = 4 Start of MODEL 11 1 H MET 99 H MET 99 15.901 -32.512 -7.187 2 HA MET 99 HA MET 99 15.007 -32.342 -5.185 3 HB2 MET 99 1HB MET 99 13.699 -34.271 -5.985 4 HB3 MET 99 2HB MET 99 14.837 -35.388 -5.222 5 HG2 MET 99 1HG MET 99 12.891 -35.116 -3.838 6 HG3 MET 99 2HG MET 99 14.295 -34.444 -3.011 7 HE2 MET 99 1HE MET 99 12.794 -33.275 -1.249 8 HE3 MET 99 2HE MET 99 11.393 -32.255 -1.643 9 HE1 MET 99 3HE MET 99 11.363 -33.995 -2.028 No H/Q in entry = 9 Start of MODEL 12 1 H1 MET 0 3H MET 0 -1.014 -3.584 -1.771 2 H2 MET 0 1H MET 0 -1.607 -2.108 -2.202 3 H3 MET 0 2H MET 0 -0.515 -2.871 -3.170 4 HA MET 0 HA MET 0 0.552 -1.140 -2.036 5 HB2 MET 0 1HB MET 0 -1.040 -1.039 -0.189 6 HB3 MET 0 2HB MET 0 -0.392 -2.520 0.520 7 HG2 MET 0 1HG MET 0 1.285 -0.022 0.016 8 HG3 MET 0 2HG MET 0 0.339 -0.280 1.483 9 HE1 MET 0 1HE MET 0 2.125 0.070 3.144 10 HE2 MET 0 2HE MET 0 3.734 -0.676 3.107 11 HE3 MET 0 3HE MET 0 3.267 0.497 1.848 No H/Q in entry = 11 Start of MODEL 12 1 H ILE 1 H ILE 1 0.648 -4.239 -0.211 2 HA ILE 1 HA ILE 1 3.482 -4.597 -0.959 3 HB ILE 1 HB ILE 1 2.899 -4.791 1.366 4 HG13 ILE 1 HG12 ILE 1 4.731 -6.137 0.139 5 HG22 ILE 1 HG21 ILE 1 1.375 -7.371 0.832 6 HG23 ILE 1 HG22 ILE 1 1.549 -6.479 2.344 7 HG21 ILE 1 HG23 ILE 1 0.555 -5.814 1.047 8 HD13 ILE 1 HD11 ILE 1 4.903 -5.799 2.523 9 HD11 ILE 1 HD12 ILE 1 3.718 -7.079 2.851 10 HD12 ILE 1 HD13 ILE 1 5.291 -7.487 2.144 11 HG12 ILE 1 HG11 ILE 1 3.675 -7.536 0.336 No H/Q in entry = 11 Start of MODEL 12 1 H GLN 2 H GLN 2 3.632 -5.307 -2.987 2 HA GLN 2 HA GLN 2 1.486 -6.910 -4.127 3 HB2 GLN 2 1HB GLN 2 2.750 -4.769 -5.064 4 HB3 GLN 2 2HB GLN 2 3.927 -5.940 -5.641 5 HG2 GLN 2 1HG GLN 2 2.421 -5.590 -7.428 6 HG3 GLN 2 2HG GLN 2 1.900 -7.135 -6.757 7 HE21 GLN 2 HE21 GLN 2 -0.122 -7.140 -5.469 8 HE22 GLN 2 HE22 GLN 2 -1.272 -5.826 -5.612 No H/Q in entry = 8 Start of MODEL 12 1 H ARG 3 H ARG 3 2.154 -8.646 -2.568 2 HA ARG 3 HA ARG 3 4.568 -9.976 -2.576 3 HB2 ARG 3 1HB ARG 3 1.816 -11.192 -2.099 4 HB3 ARG 3 2HB ARG 3 3.370 -11.889 -1.607 5 HG2 ARG 3 1HG ARG 3 3.805 -9.892 -0.183 6 HG3 ARG 3 2HG ARG 3 2.189 -9.275 -0.597 7 HD2 ARG 3 1HD ARG 3 1.173 -11.346 0.314 8 HD3 ARG 3 2HD ARG 3 2.767 -11.920 0.811 9 HE ARG 3 HE ARG 3 1.092 -9.867 2.052 10 HH12 ARG 3 HH11 ARG 3 4.885 -10.446 3.386 11 HH11 ARG 3 HH12 ARG 3 4.433 -11.080 1.823 12 HH21 ARG 3 HH21 ARG 3 1.718 -9.051 4.083 13 HH22 ARG 3 HH22 ARG 3 3.348 -9.290 4.666 No H/Q in entry = 13 Start of MODEL 12 1 H THR 4 H THR 4 5.525 -11.616 -3.672 2 HA THR 4 HA THR 4 4.516 -12.119 -6.380 3 HB THR 4 HB THR 4 6.848 -12.929 -6.755 4 HG1 THR 4 HG1 THR 4 7.245 -12.096 -4.077 5 HG22 THR 4 HG21 THR 4 6.719 -10.180 -5.435 6 HG21 THR 4 HG22 THR 4 6.255 -10.540 -7.113 7 HG23 THR 4 HG23 THR 4 7.936 -10.757 -6.589 No H/Q in entry = 7 Start of MODEL 12 1 HA PRO 5 HA PRO 5 3.559 -16.431 -5.584 2 HB2 PRO 5 1HB PRO 5 4.361 -17.602 -7.976 3 HB3 PRO 5 2HB PRO 5 2.840 -16.708 -7.725 4 HG2 PRO 5 1HG PRO 5 5.452 -15.702 -8.868 5 HG3 PRO 5 2HG PRO 5 3.807 -15.431 -9.518 6 HD2 PRO 5 1HD PRO 5 5.032 -13.543 -8.058 7 HD3 PRO 5 2HD PRO 5 3.293 -13.868 -7.808 No H/Q in entry = 7 Start of MODEL 12 1 H LYS 6 H LYS 6 4.727 -17.684 -4.265 2 HA LYS 6 HA LYS 6 7.649 -17.753 -4.460 3 HB2 LYS 6 1HB LYS 6 6.215 -17.346 -2.327 4 HB3 LYS 6 2HB LYS 6 5.935 -19.088 -2.347 5 HG2 LYS 6 1HG LYS 6 7.777 -18.812 -0.941 6 HG3 LYS 6 2HG LYS 6 8.537 -19.291 -2.469 7 HD2 LYS 6 1HD LYS 6 8.949 -16.832 -2.958 8 HD3 LYS 6 2HD LYS 6 8.228 -16.432 -1.395 9 HE2 LYS 6 1HE LYS 6 10.722 -18.137 -1.831 10 HE3 LYS 6 2HE LYS 6 10.702 -16.430 -1.348 11 HZ1 LYS 6 1HZ LYS 6 9.522 -17.066 0.628 12 HZ3 LYS 6 2HZ LYS 6 10.976 -17.838 0.526 13 HZ2 LYS 6 3HZ LYS 6 9.584 -18.657 0.197 No H/Q in entry = 13 Start of MODEL 12 1 H ILE 7 H ILE 7 8.383 -19.130 -5.928 2 HA ILE 7 HA ILE 7 6.919 -21.326 -6.950 3 HB ILE 7 HB ILE 7 9.036 -21.751 -8.223 4 HG13 ILE 7 HG12 ILE 7 10.367 -20.310 -6.218 5 HG23 ILE 7 HG21 ILE 7 7.265 -20.371 -9.124 6 HG21 ILE 7 HG22 ILE 7 7.846 -18.946 -8.239 7 HG22 ILE 7 HG23 ILE 7 8.825 -19.638 -9.541 8 HD11 ILE 7 HD11 ILE 7 11.246 -20.734 -9.094 9 HD12 ILE 7 HD12 ILE 7 12.297 -20.386 -7.703 10 HD13 ILE 7 HD13 ILE 7 11.398 -21.913 -7.774 11 HG12 ILE 7 HG11 ILE 7 10.198 -19.119 -7.498 No H/Q in entry = 11 Start of MODEL 12 1 H GLN 8 H GLN 8 6.755 -23.366 -6.347 2 HA GLN 8 HA GLN 8 8.961 -24.778 -4.952 3 HB2 GLN 8 1HB GLN 8 6.094 -24.587 -3.938 4 HB3 GLN 8 2HB GLN 8 7.323 -25.707 -3.325 5 HG2 GLN 8 1HG GLN 8 8.706 -23.784 -2.590 6 HG3 GLN 8 2HG GLN 8 7.494 -22.660 -3.227 7 HE21 GLN 8 HE21 GLN 8 7.871 -25.332 -0.850 8 HE22 GLN 8 HE22 GLN 8 6.702 -24.684 0.282 No H/Q in entry = 8 Start of MODEL 12 1 H VAL 9 H VAL 9 9.143 -25.593 -7.161 2 HA VAL 9 HA VAL 9 6.902 -27.189 -8.225 3 HB VAL 9 HB VAL 9 9.548 -26.463 -9.443 4 HG11 VAL 9 HG11 VAL 9 6.992 -27.638 -10.626 5 HG12 VAL 9 HG12 VAL 9 8.350 -27.024 -11.592 6 HG13 VAL 9 HG13 VAL 9 8.584 -28.419 -10.539 7 HG23 VAL 9 HG21 VAL 9 8.194 -24.828 -10.778 8 HG21 VAL 9 HG22 VAL 9 6.805 -25.178 -9.734 9 HG22 VAL 9 HG23 VAL 9 8.259 -24.417 -9.053 No H/Q in entry = 9 Start of MODEL 12 1 H TYR 10 H TYR 10 7.043 -28.922 -6.748 2 HA TYR 10 HA TYR 10 9.349 -30.786 -7.000 3 HB2 TYR 10 1HB TYR 10 8.501 -31.908 -5.121 4 HB3 TYR 10 2HB TYR 10 8.682 -30.194 -4.805 5 HD1 TYR 10 HD1 TYR 10 6.402 -33.022 -4.860 6 HD2 TYR 10 HD2 TYR 10 6.629 -28.731 -4.578 7 HE1 TYR 10 HE1 TYR 10 4.114 -32.962 -3.919 8 HE2 TYR 10 HE2 TYR 10 4.335 -28.668 -3.648 9 HH TYR 10 HH TYR 10 2.400 -31.645 -3.128 No H/Q in entry = 9 Start of MODEL 12 1 H SER 11 H SER 11 9.033 -33.006 -7.566 2 HA SER 11 HA SER 11 6.581 -33.781 -9.038 3 HB2 SER 11 1HB SER 11 7.856 -35.995 -9.137 4 HB3 SER 11 2HB SER 11 8.430 -34.647 -10.093 5 HG SER 11 HG SER 11 9.410 -35.414 -7.534 No H/Q in entry = 5 Start of MODEL 12 1 H ARG 12 H ARG 12 4.873 -34.508 -7.843 2 HA ARG 12 HA ARG 12 4.948 -34.969 -5.064 3 HB2 ARG 12 1HB ARG 12 2.930 -34.297 -6.204 4 HB3 ARG 12 2HB ARG 12 2.958 -35.734 -7.223 5 HG2 ARG 12 1HG ARG 12 1.237 -35.971 -5.596 6 HG3 ARG 12 2HG ARG 12 2.484 -37.156 -5.214 7 HD2 ARG 12 1HD ARG 12 2.179 -34.431 -3.868 8 HD3 ARG 12 2HD ARG 12 1.483 -35.935 -3.240 9 HE ARG 12 HE ARG 12 4.125 -36.578 -3.549 10 HH12 ARG 12 HH11 ARG 12 3.706 -33.842 -0.579 11 HH11 ARG 12 HH12 ARG 12 2.424 -34.019 -1.753 12 HH21 ARG 12 HH21 ARG 12 5.769 -36.326 -2.011 13 HH22 ARG 12 HH22 ARG 12 5.604 -35.163 -0.717 No H/Q in entry = 13 Start of MODEL 12 1 H HIS 13 H HIS 13 4.536 -37.319 -7.742 2 HA HIS 13 HA HIS 13 5.202 -39.641 -6.113 3 HB2 HIS 13 1HB HIS 13 4.873 -39.150 -9.106 4 HB3 HIS 13 2HB HIS 13 5.176 -40.741 -8.410 5 HD1 HIS 13 HD1 HIS 13 3.192 -42.021 -7.477 6 HD2 HIS 13 HD2 HIS 13 2.294 -38.013 -8.303 7 HE1 HIS 13 HE1 HIS 13 0.686 -41.725 -7.166 No H/Q in entry = 7 Start of MODEL 12 1 HA PRO 14 HA PRO 14 9.637 -39.329 -6.890 2 HB2 PRO 14 1HB PRO 14 10.446 -41.935 -7.047 3 HB3 PRO 14 2HB PRO 14 9.928 -41.166 -5.521 4 HG2 PRO 14 1HG PRO 14 8.274 -42.905 -7.365 5 HG3 PRO 14 2HG PRO 14 8.436 -43.031 -5.588 6 HD2 PRO 14 1HD PRO 14 6.337 -41.755 -6.771 7 HD3 PRO 14 2HD PRO 14 7.037 -41.151 -5.244 No H/Q in entry = 7 Start of MODEL 12 1 H ALA 15 H ALA 15 11.091 -39.426 -8.665 2 HA ALA 15 HA ALA 15 9.738 -39.280 -11.204 3 HB1 ALA 15 1HB ALA 15 11.428 -37.663 -10.509 4 HB2 ALA 15 2HB ALA 15 12.669 -38.932 -10.474 5 HB3 ALA 15 3HB ALA 15 11.904 -38.472 -12.014 No H/Q in entry = 5 Start of MODEL 12 1 H GLU 16 H GLU 16 9.045 -41.562 -11.283 2 HA GLU 16 HA GLU 16 11.037 -43.609 -11.925 3 HB2 GLU 16 1HB GLU 16 7.997 -43.623 -12.119 4 HB3 GLU 16 2HB GLU 16 9.064 -45.030 -12.291 5 HG2 GLU 16 1HG GLU 16 8.629 -43.352 -9.784 6 HG3 GLU 16 2HG GLU 16 8.073 -44.999 -10.071 No H/Q in entry = 6 Start of MODEL 12 1 H ASN 17 H ASN 17 11.930 -43.820 -13.860 2 HA ASN 17 HA ASN 17 11.234 -42.193 -16.085 3 HB2 ASN 17 1HB ASN 17 13.506 -43.009 -15.505 4 HB3 ASN 17 2HB ASN 17 13.031 -44.658 -15.942 5 HD21 ASN 17 HD21 ASN 17 12.766 -45.172 -18.218 6 HD22 ASN 17 HD22 ASN 17 13.299 -44.064 -19.467 No H/Q in entry = 6 Start of MODEL 12 1 H GLY 18 H GLY 18 10.004 -42.594 -17.853 2 HA3 GLY 18 1HA GLY 18 8.512 -43.542 -19.269 3 HA2 GLY 18 2HA GLY 18 9.262 -45.112 -18.932 No H/Q in entry = 3 Start of MODEL 12 1 H LYS 19 H LYS 19 7.671 -42.907 -16.593 2 HA LYS 19 HA LYS 19 5.204 -44.423 -16.480 3 HB2 LYS 19 1HB LYS 19 6.749 -45.915 -15.220 4 HB3 LYS 19 2HB LYS 19 7.159 -44.567 -14.145 5 HG2 LYS 19 1HG LYS 19 4.820 -44.438 -13.380 6 HG3 LYS 19 2HG LYS 19 4.359 -45.679 -14.568 7 HD2 LYS 19 1HD LYS 19 5.835 -47.317 -13.401 8 HD3 LYS 19 2HD LYS 19 6.302 -46.061 -12.240 9 HE2 LYS 19 1HE LYS 19 4.584 -47.504 -11.271 10 HE3 LYS 19 2HE LYS 19 3.945 -45.865 -11.489 11 HZ2 LYS 19 1HZ LYS 19 2.414 -47.573 -12.188 12 HZ1 LYS 19 2HZ LYS 19 3.488 -48.122 -13.313 13 HZ3 LYS 19 3HZ LYS 19 2.843 -46.612 -13.455 No H/Q in entry = 13 Start of MODEL 12 1 H SER 20 H SER 20 3.632 -43.121 -15.733 2 HA SER 20 HA SER 20 4.184 -40.400 -15.804 3 HB2 SER 20 1HB SER 20 2.078 -41.537 -16.535 4 HB3 SER 20 2HB SER 20 1.602 -41.662 -14.826 5 HG SER 20 HG SER 20 2.293 -39.248 -16.163 No H/Q in entry = 5 Start of MODEL 12 1 H ASN 21 H ASN 21 3.500 -38.698 -14.354 2 HA ASN 21 HA ASN 21 3.867 -39.084 -11.467 3 HB2 ASN 21 1HB ASN 21 6.137 -39.326 -12.546 4 HB3 ASN 21 2HB ASN 21 5.938 -37.737 -13.274 5 HD21 ASN 21 HD21 ASN 21 7.461 -39.314 -10.799 6 HD22 ASN 21 HD22 ASN 21 7.584 -38.015 -9.643 No H/Q in entry = 6 Start of MODEL 12 1 H PHE 22 H PHE 22 3.068 -37.261 -10.364 2 HA PHE 22 HA PHE 22 1.884 -35.093 -11.984 3 HB2 PHE 22 1HB PHE 22 1.629 -35.883 -9.091 4 HB3 PHE 22 2HB PHE 22 1.045 -34.355 -9.726 5 HD1 PHE 22 HD1 PHE 22 0.742 -38.068 -10.351 6 HD2 PHE 22 HD2 PHE 22 -1.106 -34.179 -10.617 7 HE1 PHE 22 HE1 PHE 22 -1.403 -39.124 -10.976 8 HE2 PHE 22 HE2 PHE 22 -3.255 -35.246 -11.225 9 HZ PHE 22 HZ PHE 22 -3.409 -37.722 -11.407 No H/Q in entry = 9 Start of MODEL 12 1 H LEU 23 H LEU 23 2.990 -33.317 -12.418 2 HA LEU 23 HA LEU 23 5.221 -32.329 -10.799 3 HB2 LEU 23 1HB LEU 23 4.966 -31.921 -13.329 4 HB3 LEU 23 2HB LEU 23 3.549 -30.947 -12.954 5 HG LEU 23 HG LEU 23 5.072 -29.434 -11.584 6 HD12 LEU 23 HD11 LEU 23 7.531 -29.689 -12.154 7 HD11 LEU 23 HD12 LEU 23 7.181 -31.303 -12.784 8 HD13 LEU 23 HD13 LEU 23 6.924 -30.936 -11.063 9 HD22 LEU 23 HD21 LEU 23 6.082 -28.364 -13.550 10 HD21 LEU 23 HD22 LEU 23 4.439 -28.916 -13.922 11 HD23 LEU 23 HD23 LEU 23 5.839 -29.840 -14.505 No H/Q in entry = 11 Start of MODEL 12 1 H ASN 24 H ASN 24 4.959 -30.634 -9.228 2 HA ASN 24 HA ASN 24 2.157 -29.725 -8.647 3 HB2 ASN 24 1HB ASN 24 4.246 -30.939 -6.813 4 HB3 ASN 24 2HB ASN 24 3.016 -29.834 -6.210 5 HD21 ASN 24 HD21 ASN 24 1.737 -31.195 -5.007 6 HD22 ASN 24 HD22 ASN 24 0.881 -32.570 -5.673 No H/Q in entry = 6 Start of MODEL 12 1 H CYS 25 H CYS 25 2.627 -27.861 -9.848 2 HA CYS 25 HA CYS 25 4.835 -26.113 -8.984 3 HB2 CYS 25 1HB CYS 25 4.305 -26.298 -11.359 4 HB3 CYS 25 2HB CYS 25 2.688 -25.652 -11.074 No H/Q in entry = 4 Start of MODEL 12 1 H TYR 26 H TYR 26 4.294 -25.755 -6.839 2 HA TYR 26 HA TYR 26 1.723 -24.507 -6.133 3 HB2 TYR 26 1HB TYR 26 2.606 -26.388 -4.859 4 HB3 TYR 26 2HB TYR 26 4.077 -25.503 -4.509 5 HD1 TYR 26 HD1 TYR 26 0.339 -25.251 -4.131 6 HD2 TYR 26 HD2 TYR 26 4.203 -24.334 -2.463 7 HE1 TYR 26 HE1 TYR 26 -0.733 -24.594 -2.007 8 HE2 TYR 26 HE2 TYR 26 3.133 -23.656 -0.339 9 HH TYR 26 HH TYR 26 1.149 -23.362 0.794 No H/Q in entry = 9 Start of MODEL 12 1 H VAL 27 H VAL 27 1.621 -22.353 -6.462 2 HA VAL 27 HA VAL 27 4.122 -20.753 -6.469 3 HB VAL 27 HB VAL 27 2.838 -19.305 -7.980 4 HG13 VAL 27 HG11 VAL 27 3.006 -20.804 -9.886 5 HG11 VAL 27 HG12 VAL 27 4.377 -21.026 -8.788 6 HG12 VAL 27 HG13 VAL 27 3.054 -22.212 -8.807 7 HG23 VAL 27 HG21 VAL 27 0.754 -21.522 -8.090 8 HG21 VAL 27 HG22 VAL 27 0.495 -19.981 -7.243 9 HG22 VAL 27 HG23 VAL 27 0.788 -20.002 -8.986 No H/Q in entry = 9 Start of MODEL 12 1 H SER 28 H SER 28 3.100 -21.057 -3.850 2 HA SER 28 HA SER 28 0.906 -19.548 -3.206 3 HB2 SER 28 1HB SER 28 1.658 -19.800 -0.837 4 HB3 SER 28 2HB SER 28 1.732 -21.295 -1.786 5 HG SER 28 HG SER 28 3.971 -20.921 -2.046 No H/Q in entry = 5 Start of MODEL 12 1 H GLY 29 H GLY 29 0.373 -17.562 -2.561 2 HA3 GLY 29 1HA GLY 29 0.571 -15.637 -1.341 3 HA2 GLY 29 2HA GLY 29 2.327 -15.772 -1.341 No H/Q in entry = 3 Start of MODEL 12 1 H PHE 30 H PHE 30 0.004 -15.627 -4.090 2 HA PHE 30 HA PHE 30 1.581 -13.434 -5.285 3 HB2 PHE 30 1HB PHE 30 0.481 -14.029 -7.341 4 HB3 PHE 30 2HB PHE 30 1.428 -15.293 -6.578 5 HD1 PHE 30 HD1 PHE 30 -1.865 -14.381 -7.848 6 HD2 PHE 30 HD2 PHE 30 0.255 -17.215 -5.403 7 HE1 PHE 30 HE1 PHE 30 -3.832 -15.902 -7.884 8 HE2 PHE 30 HE2 PHE 30 -1.654 -18.763 -5.527 9 HZ PHE 30 HZ PHE 30 -3.757 -18.050 -6.671 No H/Q in entry = 9 Start of MODEL 12 1 H HIS 31 H HIS 31 0.827 -11.551 -4.420 2 HA HIS 31 HA HIS 31 -2.025 -10.788 -4.793 3 HB2 HIS 31 1HB HIS 31 0.193 -9.704 -3.117 4 HB3 HIS 31 2HB HIS 31 -1.160 -8.687 -3.601 5 HD1 HIS 31 HD1 HIS 31 -2.997 -8.643 -1.960 6 HD2 HIS 31 HD2 HIS 31 -1.203 -12.421 -2.202 7 HE1 HIS 31 HE1 HIS 31 -4.355 -10.216 -0.509 No H/Q in entry = 7 Start of MODEL 12 1 HA PRO 32 HA PRO 32 -3.419 -9.502 -5.946 2 HB2 PRO 32 1HB PRO 32 -4.514 -9.106 -8.372 3 HB3 PRO 32 2HB PRO 32 -3.790 -7.747 -7.470 4 HG2 PRO 32 1HG PRO 32 -2.452 -9.434 -9.619 5 HG3 PRO 32 2HG PRO 32 -2.614 -7.653 -9.577 6 HD2 PRO 32 1HD PRO 32 -0.389 -8.930 -8.627 7 HD3 PRO 32 2HD PRO 32 -1.031 -7.467 -7.843 No H/Q in entry = 7 Start of MODEL 12 1 H SER 33 H SER 33 -5.104 -10.995 -7.005 2 HA SER 33 HA SER 33 -4.057 -13.637 -7.252 3 HB2 SER 33 1HB SER 33 -6.443 -14.248 -7.565 4 HB3 SER 33 2HB SER 33 -6.151 -13.225 -6.152 5 HG SER 33 HG SER 33 -7.069 -12.337 -8.687 No H/Q in entry = 5 Start of MODEL 12 1 H ASP 34 H ASP 34 -4.143 -11.212 -9.619 2 HA ASP 34 HA ASP 34 -5.020 -12.811 -11.886 3 HB2 ASP 34 1HB ASP 34 -3.669 -10.086 -11.727 4 HB3 ASP 34 2HB ASP 34 -4.403 -10.807 -13.167 No H/Q in entry = 4 Start of MODEL 12 1 H ILE 35 H ILE 35 -3.338 -14.499 -11.053 2 HA ILE 35 HA ILE 35 -0.647 -14.026 -12.126 3 HB ILE 35 HB ILE 35 -0.946 -15.021 -9.912 4 HG13 ILE 35 HG12 ILE 35 1.063 -15.278 -11.334 5 HG22 ILE 35 HG21 ILE 35 -1.951 -17.502 -11.397 6 HG23 ILE 35 HG22 ILE 35 -1.655 -17.367 -9.660 7 HG21 ILE 35 HG23 ILE 35 -2.963 -16.443 -10.397 8 HD12 ILE 35 HD11 ILE 35 0.533 -17.623 -9.483 9 HD13 ILE 35 HD12 ILE 35 2.102 -17.029 -10.044 10 HD11 ILE 35 HD13 ILE 35 1.084 -15.994 -9.017 11 HG12 ILE 35 HG11 ILE 35 0.470 -16.857 -11.870 No H/Q in entry = 11 Start of MODEL 12 1 H GLU 36 H GLU 36 0.308 -15.282 -13.739 2 HA GLU 36 HA GLU 36 -1.548 -16.703 -15.610 3 HB2 GLU 36 1HB GLU 36 0.801 -14.898 -16.192 4 HB3 GLU 36 2HB GLU 36 -0.215 -15.693 -17.410 5 HG2 GLU 36 1HG GLU 36 -1.026 -13.479 -15.456 6 HG3 GLU 36 2HG GLU 36 -0.781 -13.323 -17.194 No H/Q in entry = 6 Start of MODEL 12 1 H VAL 37 H VAL 37 -0.868 -18.577 -14.329 2 HA VAL 37 HA VAL 37 1.904 -19.521 -14.698 3 HB VAL 37 HB VAL 37 -0.438 -20.990 -13.483 4 HG13 VAL 37 HG11 VAL 37 1.342 -22.393 -12.489 5 HG11 VAL 37 HG12 VAL 37 1.474 -22.420 -14.253 6 HG12 VAL 37 HG13 VAL 37 2.574 -21.406 -13.304 7 HG21 VAL 37 HG21 VAL 37 1.689 -19.177 -12.268 8 HG22 VAL 37 HG22 VAL 37 -0.080 -19.070 -12.089 9 HG23 VAL 37 HG23 VAL 37 0.819 -20.384 -11.315 No H/Q in entry = 9 Start of MODEL 12 1 H ASP 38 H ASP 38 2.047 -19.624 -16.914 2 HA ASP 38 HA ASP 38 0.140 -21.243 -18.491 3 HB2 ASP 38 1HB ASP 38 0.852 -18.924 -19.074 4 HB3 ASP 38 2HB ASP 38 2.475 -19.532 -19.404 No H/Q in entry = 4 Start of MODEL 12 1 H LEU 39 H LEU 39 1.278 -22.966 -16.858 2 HA LEU 39 HA LEU 39 3.914 -23.749 -17.336 3 HB2 LEU 39 1HB LEU 39 3.529 -25.650 -16.001 4 HB3 LEU 39 2HB LEU 39 2.712 -24.275 -15.276 5 HG LEU 39 HG LEU 39 1.270 -26.312 -17.031 6 HD12 LEU 39 HD11 LEU 39 0.654 -27.497 -14.934 7 HD11 LEU 39 HD12 LEU 39 1.711 -26.408 -14.014 8 HD13 LEU 39 HD13 LEU 39 2.401 -27.525 -15.209 9 HD23 LEU 39 HD21 LEU 39 -0.710 -25.666 -15.653 10 HD22 LEU 39 HD22 LEU 39 -0.098 -24.332 -16.622 11 HD21 LEU 39 HD23 LEU 39 0.262 -24.404 -14.877 No H/Q in entry = 11 Start of MODEL 12 1 H LEU 40 H LEU 40 4.842 -25.599 -18.141 2 HA LEU 40 HA LEU 40 3.580 -26.557 -20.670 3 HB2 LEU 40 1HB LEU 40 6.464 -25.685 -20.275 4 HB3 LEU 40 2HB LEU 40 5.681 -26.106 -21.798 5 HG LEU 40 HG LEU 40 5.081 -23.654 -20.079 6 HD12 LEU 40 HD11 LEU 40 6.399 -23.893 -22.807 7 HD11 LEU 40 HD12 LEU 40 7.259 -23.621 -21.274 8 HD13 LEU 40 HD13 LEU 40 6.122 -22.404 -21.881 9 HD22 LEU 40 HD21 LEU 40 3.034 -24.350 -21.267 10 HD21 LEU 40 HD22 LEU 40 3.940 -24.538 -22.774 11 HD23 LEU 40 HD23 LEU 40 3.709 -22.933 -22.044 No H/Q in entry = 11 Start of MODEL 12 1 H LYS 41 H LYS 41 4.666 -28.355 -21.684 2 HA LYS 41 HA LYS 41 6.532 -29.960 -20.059 3 HB2 LYS 41 1HB LYS 41 5.500 -32.033 -20.871 4 HB3 LYS 41 2HB LYS 41 4.515 -31.174 -19.673 5 HG2 LYS 41 1HG LYS 41 3.098 -30.319 -21.574 6 HG3 LYS 41 2HG LYS 41 4.010 -31.334 -22.685 7 HD2 LYS 41 1HD LYS 41 2.433 -32.379 -20.312 8 HD3 LYS 41 2HD LYS 41 1.893 -32.364 -21.995 9 HE2 LYS 41 1HE LYS 41 4.249 -33.947 -20.875 10 HE3 LYS 41 2HE LYS 41 2.682 -34.574 -21.390 11 HZ3 LYS 41 1HZ LYS 41 4.284 -34.900 -23.078 12 HZ2 LYS 41 2HZ LYS 41 4.673 -33.300 -23.130 13 HZ1 LYS 41 3HZ LYS 41 3.182 -33.797 -23.613 No H/Q in entry = 13 Start of MODEL 12 1 H ASN 42 H ASN 42 8.341 -29.717 -21.230 2 HA ASN 42 HA ASN 42 9.765 -29.616 -22.981 3 HB2 ASN 42 1HB ASN 42 7.836 -31.449 -24.455 4 HB3 ASN 42 2HB ASN 42 9.590 -31.342 -24.621 5 HD21 ASN 42 HD21 ASN 42 7.317 -33.380 -23.520 6 HD22 ASN 42 HD22 ASN 42 8.168 -34.107 -22.173 No H/Q in entry = 6 Start of MODEL 12 1 H GLY 43 H GLY 43 8.004 -27.434 -22.839 2 HA3 GLY 43 1HA GLY 43 7.700 -25.558 -24.134 3 HA2 GLY 43 2HA GLY 43 7.991 -26.464 -25.614 No H/Q in entry = 3 Start of MODEL 12 1 H GLU 44 H GLU 44 5.831 -28.545 -24.596 2 HA GLU 44 HA GLU 44 3.690 -27.360 -26.114 3 HB2 GLU 44 1HB GLU 44 3.613 -29.843 -24.371 4 HB3 GLU 44 2HB GLU 44 2.510 -29.425 -25.679 5 HG2 GLU 44 1HG GLU 44 4.282 -29.730 -27.336 6 HG3 GLU 44 2HG GLU 44 5.483 -30.028 -26.063 No H/Q in entry = 6 Start of MODEL 12 1 H ARG 45 H ARG 45 1.843 -26.329 -25.345 2 HA ARG 45 HA ARG 45 1.629 -25.538 -22.601 3 HB2 ARG 45 1HB ARG 45 -0.442 -24.518 -23.227 4 HB3 ARG 45 2HB ARG 45 0.731 -24.260 -24.525 5 HG2 ARG 45 1HG ARG 45 -0.323 -26.298 -25.700 6 HG3 ARG 45 2HG ARG 45 -1.594 -26.229 -24.461 7 HD2 ARG 45 1HD ARG 45 -2.049 -23.845 -25.160 8 HD3 ARG 45 2HD ARG 45 -0.854 -24.046 -26.446 9 HE ARG 45 HE ARG 45 -2.299 -25.361 -27.662 10 HH12 ARG 45 HH11 ARG 45 -5.197 -25.629 -24.831 11 HH11 ARG 45 HH12 ARG 45 -3.680 -24.873 -24.413 12 HH21 ARG 45 HH21 ARG 45 -4.285 -26.374 -28.152 13 HH22 ARG 45 HH22 ARG 45 -5.535 -26.491 -26.936 No H/Q in entry = 13 Start of MODEL 12 1 H ILE 46 H ILE 46 0.440 -26.357 -20.911 2 HA ILE 46 HA ILE 46 -0.586 -29.098 -21.111 3 HB ILE 46 HB ILE 46 -0.538 -27.052 -18.870 4 HG13 ILE 46 HG12 ILE 46 1.187 -28.398 -17.864 5 HG21 ILE 46 HG21 ILE 46 -1.475 -29.949 -18.819 6 HG22 ILE 46 HG22 ILE 46 -1.164 -28.937 -17.384 7 HG23 ILE 46 HG23 ILE 46 -2.442 -28.507 -18.513 8 HD11 ILE 46 HD11 ILE 46 0.661 -30.666 -18.722 9 HD12 ILE 46 HD12 ILE 46 1.187 -30.161 -20.337 10 HD13 ILE 46 HD13 ILE 46 2.342 -30.200 -18.993 11 HG12 ILE 46 HG11 ILE 46 1.705 -27.896 -19.469 No H/Q in entry = 11 Start of MODEL 12 1 H GLU 47 H GLU 47 -2.539 -29.555 -21.804 2 HA GLU 47 HA GLU 47 -4.716 -27.558 -21.950 3 HB2 GLU 47 1HB GLU 47 -4.376 -30.430 -22.854 4 HB3 GLU 47 2HB GLU 47 -5.937 -29.595 -22.887 5 HG2 GLU 47 1HG GLU 47 -5.039 -27.864 -24.348 6 HG3 GLU 47 2HG GLU 47 -3.438 -28.624 -24.348 No H/Q in entry = 6 Start of MODEL 12 1 H LYS 48 H LYS 48 -3.819 -30.602 -20.299 2 HA LYS 48 HA LYS 48 -6.272 -30.654 -18.678 3 HB2 LYS 48 1HB LYS 48 -3.866 -32.542 -18.771 4 HB3 LYS 48 2HB LYS 48 -5.353 -32.753 -17.835 5 HG2 LYS 48 1HG LYS 48 -5.847 -34.059 -19.644 6 HG3 LYS 48 2HG LYS 48 -6.574 -32.529 -20.139 7 HD2 LYS 48 1HD LYS 48 -4.276 -32.146 -21.397 8 HD3 LYS 48 2HD LYS 48 -3.997 -33.855 -21.084 9 HE2 LYS 48 1HE LYS 48 -6.128 -34.389 -22.267 10 HE3 LYS 48 2HE LYS 48 -6.408 -32.654 -22.530 11 HZ1 LYS 48 1HZ LYS 48 -4.425 -32.568 -23.830 12 HZ3 LYS 48 2HZ LYS 48 -5.471 -33.681 -24.440 13 HZ2 LYS 48 3HZ LYS 48 -4.144 -34.179 -23.597 No H/Q in entry = 13 Start of MODEL 12 1 H VAL 49 H VAL 49 -5.579 -28.430 -17.906 2 HA VAL 49 HA VAL 49 -3.486 -28.352 -15.853 3 HB VAL 49 HB VAL 49 -5.650 -26.322 -16.476 4 HG11 VAL 49 HG11 VAL 49 -2.988 -26.097 -15.014 5 HG12 VAL 49 HG12 VAL 49 -4.088 -24.746 -15.361 6 HG13 VAL 49 HG13 VAL 49 -4.591 -26.037 -14.264 7 HG23 VAL 49 HG21 VAL 49 -3.941 -25.085 -17.761 8 HG21 VAL 49 HG22 VAL 49 -2.797 -26.422 -17.549 9 HG22 VAL 49 HG23 VAL 49 -4.284 -26.648 -18.508 No H/Q in entry = 9 Start of MODEL 12 1 H GLU 50 H GLU 50 -3.911 -29.375 -14.000 2 HA GLU 50 HA GLU 50 -6.698 -29.480 -12.901 3 HB2 GLU 50 1HB GLU 50 -4.306 -31.130 -12.058 4 HB3 GLU 50 2HB GLU 50 -6.006 -31.346 -11.613 5 HG2 GLU 50 1HG GLU 50 -4.700 -31.840 -14.326 6 HG3 GLU 50 2HG GLU 50 -5.381 -33.040 -13.229 No H/Q in entry = 6 Start of MODEL 12 1 H HIS 51 H HIS 51 -7.033 -28.357 -10.972 2 HA HIS 51 HA HIS 51 -4.747 -27.126 -9.614 3 HB2 HIS 51 1HB HIS 51 -5.517 -24.825 -10.253 4 HB3 HIS 51 2HB HIS 51 -4.845 -25.754 -11.590 5 HD1 HIS 51 HD1 HIS 51 -6.450 -26.523 -13.497 6 HD2 HIS 51 HD2 HIS 51 -8.354 -24.406 -10.425 7 HE1 HIS 51 HE1 HIS 51 -8.766 -25.919 -14.328 No H/Q in entry = 7 Start of MODEL 12 1 H SER 52 H SER 52 -5.219 -25.976 -7.776 2 HA SER 52 HA SER 52 -7.560 -26.953 -6.351 3 HB2 SER 52 1HB SER 52 -5.285 -26.888 -5.361 4 HB3 SER 52 2HB SER 52 -5.285 -25.115 -5.489 5 HG SER 52 HG SER 52 -5.933 -25.861 -3.424 No H/Q in entry = 5 Start of MODEL 12 1 H ASP 53 H ASP 53 -9.021 -25.550 -5.171 2 HA ASP 53 HA ASP 53 -9.962 -23.260 -6.654 3 HB2 ASP 53 1HB ASP 53 -11.630 -23.068 -4.915 4 HB3 ASP 53 2HB ASP 53 -11.499 -24.743 -5.457 No H/Q in entry = 4 Start of MODEL 12 1 H LEU 54 H LEU 54 -9.965 -21.085 -5.979 2 HA LEU 54 HA LEU 54 -7.430 -20.259 -4.913 3 HB2 LEU 54 1HB LEU 54 -8.603 -19.184 -6.841 4 HB3 LEU 54 2HB LEU 54 -9.850 -18.617 -5.728 5 HG LEU 54 HG LEU 54 -7.867 -17.514 -4.418 6 HD13 LEU 54 HD11 LEU 54 -6.013 -18.632 -5.622 7 HD12 LEU 54 HD12 LEU 54 -5.945 -16.875 -5.828 8 HD11 LEU 54 HD13 LEU 54 -6.554 -17.892 -7.145 9 HD23 LEU 54 HD21 LEU 54 -7.977 -15.508 -5.873 10 HD22 LEU 54 HD22 LEU 54 -9.573 -16.233 -5.625 11 HD21 LEU 54 HD23 LEU 54 -8.713 -16.488 -7.160 No H/Q in entry = 11 Start of MODEL 12 1 H SER 55 H SER 55 -7.528 -21.081 -2.788 2 HA SER 55 HA SER 55 -9.365 -19.841 -0.830 3 HB2 SER 55 1HB SER 55 -7.347 -22.094 -0.653 4 HB3 SER 55 2HB SER 55 -8.375 -21.533 0.690 5 HG SER 55 HG SER 55 -9.258 -23.305 -0.501 No H/Q in entry = 5 Start of MODEL 12 1 H PHE 56 H PHE 56 -8.596 -18.794 1.048 2 HA PHE 56 HA PHE 56 -6.043 -17.342 0.798 3 HB2 PHE 56 1HB PHE 56 -8.216 -17.124 2.900 4 HB3 PHE 56 2HB PHE 56 -6.881 -16.012 2.622 5 HD1 PHE 56 HD1 PHE 56 -6.829 -14.652 0.457 6 HD2 PHE 56 HD2 PHE 56 -10.249 -17.009 1.602 7 HE1 PHE 56 HE1 PHE 56 -8.325 -13.066 -0.731 8 HE2 PHE 56 HE2 PHE 56 -11.712 -15.537 0.246 9 HZ PHE 56 HZ PHE 56 -10.767 -13.513 -0.850 No H/Q in entry = 9 Start of MODEL 12 1 H SER 57 H SER 57 -4.246 -17.923 1.994 2 HA SER 57 HA SER 57 -4.162 -20.275 3.611 3 HB2 SER 57 1HB SER 57 -2.191 -17.957 3.601 4 HB3 SER 57 2HB SER 57 -1.885 -19.631 4.095 5 HG SER 57 HG SER 57 -1.158 -19.224 1.983 No H/Q in entry = 5 Start of MODEL 12 1 H LYS 58 H LYS 58 -4.283 -16.789 4.328 2 HA LYS 58 HA LYS 58 -5.391 -17.307 7.017 3 HB2 LYS 58 1HB LYS 58 -3.887 -15.721 8.069 4 HB3 LYS 58 2HB LYS 58 -3.003 -17.069 7.350 5 HG2 LYS 58 1HG LYS 58 -2.538 -15.521 5.331 6 HG3 LYS 58 2HG LYS 58 -3.229 -14.218 6.304 7 HD2 LYS 58 1HD LYS 58 -0.847 -14.124 6.445 8 HD3 LYS 58 2HD LYS 58 -1.533 -14.504 8.027 9 HE2 LYS 58 1HE LYS 58 0.542 -15.783 7.494 10 HE3 LYS 58 2HE LYS 58 -0.833 -16.834 7.838 11 HZ2 LYS 58 1HZ LYS 58 0.383 -17.573 5.944 12 HZ1 LYS 58 2HZ LYS 58 0.177 -16.133 5.167 13 HZ3 LYS 58 3HZ LYS 58 -1.123 -17.103 5.475 No H/Q in entry = 13 Start of MODEL 12 1 H ASP 59 H ASP 59 -4.515 -14.865 4.544 2 HA ASP 59 HA ASP 59 -7.136 -13.821 4.249 3 HB2 ASP 59 1HB ASP 59 -6.864 -12.801 6.445 4 HB3 ASP 59 2HB ASP 59 -5.247 -12.221 6.037 No H/Q in entry = 4 Start of MODEL 12 1 H GLY 60 H GLY 60 -3.814 -12.404 4.391 2 HA3 GLY 60 1HA GLY 60 -4.144 -11.381 1.633 3 HA2 GLY 60 2HA GLY 60 -2.968 -10.874 2.842 No H/Q in entry = 3 Start of MODEL 12 1 H SER 61 H SER 61 -3.801 -14.121 1.521 2 HA SER 61 HA SER 61 -1.279 -14.403 0.089 3 HB2 SER 61 1HB SER 61 -1.786 -15.966 2.657 4 HB3 SER 61 2HB SER 61 -0.553 -16.385 1.448 5 HG SER 61 HG SER 61 0.208 -14.151 1.841 No H/Q in entry = 5 Start of MODEL 12 1 H PHE 62 H PHE 62 -2.217 -15.223 -1.747 2 HA PHE 62 HA PHE 62 -4.365 -17.249 -1.593 3 HB2 PHE 62 1HB PHE 62 -3.007 -15.864 -3.928 4 HB3 PHE 62 2HB PHE 62 -4.344 -17.003 -4.040 5 HD1 PHE 62 HD1 PHE 62 -6.572 -16.418 -2.900 6 HD2 PHE 62 HD2 PHE 62 -3.428 -13.537 -3.490 7 HE1 PHE 62 HE1 PHE 62 -8.261 -14.610 -3.088 8 HE2 PHE 62 HE2 PHE 62 -5.104 -11.710 -3.506 9 HZ PHE 62 HZ PHE 62 -7.530 -12.251 -3.384 No H/Q in entry = 9 Start of MODEL 12 1 H TYR 63 H TYR 63 -3.726 -19.365 -1.370 2 HA TYR 63 HA TYR 63 -1.147 -20.257 -2.507 3 HB2 TYR 63 1HB TYR 63 -1.186 -22.032 -1.076 4 HB3 TYR 63 2HB TYR 63 -1.513 -20.558 -0.196 5 HD1 TYR 63 HD1 TYR 63 -2.626 -23.930 -0.929 6 HD2 TYR 63 HD2 TYR 63 -3.997 -20.107 0.508 7 HE1 TYR 63 HE1 TYR 63 -4.557 -25.030 0.148 8 HE2 TYR 63 HE2 TYR 63 -5.891 -21.233 1.652 9 HH TYR 63 HH TYR 63 -6.955 -23.216 2.095 No H/Q in entry = 9 Start of MODEL 12 1 H LEU 64 H LEU 64 -1.465 -20.762 -4.654 2 HA LEU 64 HA LEU 64 -3.672 -22.615 -5.400 3 HB2 LEU 64 1HB LEU 64 -3.187 -20.244 -6.312 4 HB3 LEU 64 2HB LEU 64 -2.112 -21.106 -7.418 5 HG LEU 64 HG LEU 64 -5.115 -21.520 -6.940 6 HD12 LEU 64 HD11 LEU 64 -5.200 -20.731 -9.367 7 HD11 LEU 64 HD12 LEU 64 -3.495 -20.265 -9.178 8 HD13 LEU 64 HD13 LEU 64 -4.742 -19.512 -8.173 9 HD21 LEU 64 HD21 LEU 64 -3.271 -23.014 -8.843 10 HD23 LEU 64 HD22 LEU 64 -5.046 -22.996 -8.949 11 HD22 LEU 64 HD23 LEU 64 -4.278 -23.685 -7.531 No H/Q in entry = 11 Start of MODEL 12 1 H LEU 65 H LEU 65 -3.143 -24.684 -6.108 2 HA LEU 65 HA LEU 65 -0.342 -25.399 -6.821 3 HB2 LEU 65 1HB LEU 65 -1.461 -26.681 -4.982 4 HB3 LEU 65 2HB LEU 65 -2.764 -27.089 -6.103 5 HG LEU 65 HG LEU 65 -1.049 -28.264 -7.559 6 HD13 LEU 65 HD11 LEU 65 1.051 -28.917 -6.589 7 HD12 LEU 65 HD12 LEU 65 0.761 -27.929 -5.142 8 HD11 LEU 65 HD13 LEU 65 1.012 -27.160 -6.733 9 HD22 LEU 65 HD21 LEU 65 -0.934 -30.249 -6.086 10 HD21 LEU 65 HD22 LEU 65 -2.530 -29.485 -5.998 11 HD23 LEU 65 HD23 LEU 65 -1.357 -29.237 -4.690 No H/Q in entry = 11 Start of MODEL 12 1 H TYR 66 H TYR 66 0.080 -26.109 -8.906 2 HA TYR 66 HA TYR 66 -2.202 -26.523 -10.810 3 HB2 TYR 66 1HB TYR 66 0.495 -25.211 -11.266 4 HB3 TYR 66 2HB TYR 66 -0.554 -25.790 -12.556 5 HD1 TYR 66 HD1 TYR 66 -0.020 -23.126 -10.078 6 HD2 TYR 66 HD2 TYR 66 -2.747 -24.751 -12.987 7 HE1 TYR 66 HE1 TYR 66 -1.222 -20.956 -10.173 8 HE2 TYR 66 HE2 TYR 66 -3.927 -22.579 -13.107 9 HH TYR 66 HH TYR 66 -4.006 -20.402 -12.360 No H/Q in entry = 9 Start of MODEL 12 1 H TYR 67 H TYR 67 -2.308 -28.705 -10.565 2 HA TYR 67 HA TYR 67 0.179 -30.224 -10.398 3 HB2 TYR 67 1HB TYR 67 -1.063 -31.930 -9.322 4 HB3 TYR 67 2HB TYR 67 -0.979 -30.386 -8.499 5 HD1 TYR 67 HD1 TYR 67 -3.216 -32.993 -9.609 6 HD2 TYR 67 HD2 TYR 67 -3.004 -28.838 -8.479 7 HE1 TYR 67 HE1 TYR 67 -5.670 -32.946 -9.290 8 HE2 TYR 67 HE2 TYR 67 -5.390 -28.893 -7.884 9 HH TYR 67 HH TYR 67 -7.527 -31.622 -8.792 No H/Q in entry = 9 Start of MODEL 12 1 H THR 68 H THR 68 0.392 -30.222 -12.836 2 HA THR 68 HA THR 68 -1.561 -31.839 -14.312 3 HB THR 68 HB THR 68 -0.483 -29.813 -15.279 4 HG1 THR 68 HG1 THR 68 -1.475 -31.387 -16.528 5 HG23 THR 68 HG21 THR 68 1.743 -29.963 -16.246 6 HG22 THR 68 HG22 THR 68 1.965 -31.607 -15.644 7 HG21 THR 68 HG23 THR 68 1.870 -30.242 -14.505 No H/Q in entry = 7 Start of MODEL 12 1 H GLU 69 H GLU 69 -1.258 -33.881 -15.128 2 HA GLU 69 HA GLU 69 0.788 -35.550 -13.823 3 HB2 GLU 69 1HB GLU 69 -1.540 -36.188 -13.663 4 HB3 GLU 69 2HB GLU 69 -1.687 -36.259 -15.428 5 HG2 GLU 69 1HG GLU 69 -0.079 -38.061 -15.545 6 HG3 GLU 69 2HG GLU 69 0.332 -37.892 -13.822 No H/Q in entry = 6 Start of MODEL 12 1 H PHE 70 H PHE 70 2.698 -35.246 -14.908 2 HA PHE 70 HA PHE 70 2.791 -35.302 -17.849 3 HB2 PHE 70 1HB PHE 70 5.009 -34.616 -17.645 4 HB3 PHE 70 2HB PHE 70 4.039 -33.607 -16.585 5 HD1 PHE 70 HD1 PHE 70 6.727 -36.145 -16.760 6 HD2 PHE 70 HD2 PHE 70 4.232 -33.872 -14.113 7 HE1 PHE 70 HE1 PHE 70 8.435 -36.364 -14.964 8 HE2 PHE 70 HE2 PHE 70 5.944 -34.132 -12.298 9 HZ PHE 70 HZ PHE 70 8.026 -35.373 -12.736 No H/Q in entry = 9 Start of MODEL 12 1 H THR 71 H THR 71 3.879 -36.847 -19.047 2 HA THR 71 HA THR 71 4.593 -39.418 -17.766 3 HB THR 71 HB THR 71 4.032 -38.726 -20.637 4 HG1 THR 71 HG1 THR 71 2.238 -38.552 -19.266 5 HG23 THR 71 HG21 THR 71 5.485 -40.739 -20.410 6 HG22 THR 71 HG22 THR 71 3.833 -41.187 -20.865 7 HG21 THR 71 HG23 THR 71 4.375 -41.399 -19.188 No H/Q in entry = 7 Start of MODEL 12 1 HA PRO 72 HA PRO 72 8.843 -37.762 -18.855 2 HB2 PRO 72 1HB PRO 72 10.289 -39.032 -16.943 3 HB3 PRO 72 2HB PRO 72 9.329 -37.569 -16.624 4 HG2 PRO 72 1HG PRO 72 8.617 -40.433 -16.022 5 HG3 PRO 72 2HG PRO 72 8.368 -38.995 -14.998 6 HD2 PRO 72 1HD PRO 72 6.423 -40.154 -16.648 7 HD3 PRO 72 2HD PRO 72 6.392 -38.453 -16.118 No H/Q in entry = 7 Start of MODEL 12 1 H THR 73 H THR 73 9.098 -38.774 -20.829 2 HA THR 73 HA THR 73 9.262 -41.617 -21.202 3 HB THR 73 HB THR 73 10.388 -39.357 -22.920 4 HG1 THR 73 HG1 THR 73 8.424 -39.496 -23.961 5 HG22 THR 73 HG21 THR 73 10.146 -40.983 -24.757 6 HG21 THR 73 HG22 THR 73 9.625 -42.230 -23.604 7 HG23 THR 73 HG23 THR 73 11.281 -41.585 -23.537 No H/Q in entry = 7 Start of MODEL 12 1 H GLU 74 H GLU 74 11.798 -39.060 -21.296 2 HA GLU 74 HA GLU 74 13.374 -40.324 -19.339 3 HB2 GLU 74 1HB GLU 74 13.991 -41.844 -21.244 4 HB3 GLU 74 2HB GLU 74 14.592 -40.451 -22.141 5 HG2 GLU 74 1HG GLU 74 16.225 -40.042 -20.231 6 HG3 GLU 74 2HG GLU 74 15.616 -41.513 -19.467 No H/Q in entry = 6 Start of MODEL 12 1 H LYS 75 H LYS 75 14.359 -38.392 -22.191 2 HA LYS 75 HA LYS 75 15.643 -36.490 -20.351 3 HB2 LYS 75 1HB LYS 75 15.768 -36.776 -23.373 4 HB3 LYS 75 2HB LYS 75 16.788 -35.735 -22.358 5 HG2 LYS 75 1HG LYS 75 17.638 -37.797 -21.176 6 HG3 LYS 75 2HG LYS 75 16.640 -38.782 -22.256 7 HD2 LYS 75 1HD LYS 75 18.818 -38.872 -23.125 8 HD3 LYS 75 2HD LYS 75 17.867 -37.858 -24.222 9 HE2 LYS 75 1HE LYS 75 18.872 -35.821 -23.211 10 HE3 LYS 75 2HE LYS 75 19.752 -36.831 -22.043 11 HZ2 LYS 75 1HZ LYS 75 21.105 -36.179 -23.882 12 HZ1 LYS 75 2HZ LYS 75 20.076 -36.894 -24.957 13 HZ3 LYS 75 3HZ LYS 75 20.908 -37.817 -23.872 No H/Q in entry = 13 Start of MODEL 12 1 H ASP 76 H ASP 76 13.000 -36.208 -20.029 2 HA ASP 76 HA ASP 76 11.898 -34.157 -21.833 3 HB2 ASP 76 1HB ASP 76 10.804 -35.627 -19.413 4 HB3 ASP 76 2HB ASP 76 9.914 -34.422 -20.366 No H/Q in entry = 4 Start of MODEL 12 1 H GLU 77 H GLU 77 11.885 -32.030 -21.375 2 HA GLU 77 HA GLU 77 12.827 -31.066 -18.718 3 HB2 GLU 77 1HB GLU 77 13.335 -28.964 -19.869 4 HB3 GLU 77 2HB GLU 77 14.338 -30.339 -20.316 5 HG2 GLU 77 1HG GLU 77 12.055 -29.278 -22.048 6 HG3 GLU 77 2HG GLU 77 13.746 -28.817 -22.192 No H/Q in entry = 6 Start of MODEL 12 1 H TYR 78 H TYR 78 11.056 -30.986 -17.512 2 HA TYR 78 HA TYR 78 8.564 -29.717 -18.436 3 HB2 TYR 78 1HB TYR 78 9.426 -30.901 -15.768 4 HB3 TYR 78 2HB TYR 78 7.808 -30.318 -16.137 5 HD1 TYR 78 HD1 TYR 78 6.562 -31.384 -18.144 6 HD2 TYR 78 HD2 TYR 78 10.076 -33.127 -16.371 7 HE1 TYR 78 HE1 TYR 78 6.186 -33.488 -19.415 8 HE2 TYR 78 HE2 TYR 78 9.594 -35.265 -17.500 9 HH TYR 78 HH TYR 78 6.956 -35.564 -19.930 No H/Q in entry = 9 Start of MODEL 12 1 H ALA 79 H ALA 79 7.843 -27.696 -17.763 2 HA ALA 79 HA ALA 79 9.458 -26.151 -15.868 3 HB1 ALA 79 1HB ALA 79 10.719 -25.870 -17.960 4 HB3 ALA 79 2HB ALA 79 9.235 -25.385 -18.813 5 HB2 ALA 79 3HB ALA 79 9.894 -24.363 -17.516 No H/Q in entry = 5 Start of MODEL 12 1 H CYS 80 H CYS 80 8.151 -25.014 -14.651 2 HA CYS 80 HA CYS 80 5.431 -24.317 -15.517 3 HB2 CYS 80 1HB CYS 80 5.971 -25.357 -13.307 4 HB3 CYS 80 2HB CYS 80 6.781 -23.857 -12.848 No H/Q in entry = 4 Start of MODEL 12 1 H ARG 81 H ARG 81 5.111 -22.396 -16.536 2 HA ARG 81 HA ARG 81 7.191 -20.308 -16.535 3 HB2 ARG 81 1HB ARG 81 6.493 -21.209 -18.642 4 HB3 ARG 81 2HB ARG 81 4.793 -20.862 -18.294 5 HG2 ARG 81 1HG ARG 81 5.111 -18.502 -18.456 6 HG3 ARG 81 2HG ARG 81 6.867 -18.651 -18.333 7 HD2 ARG 81 1HD ARG 81 6.184 -18.139 -20.617 8 HD3 ARG 81 2HD ARG 81 6.983 -19.720 -20.537 9 HE ARG 81 HE ARG 81 4.285 -20.302 -20.297 10 HH12 ARG 81 HH11 ARG 81 5.236 -19.061 -24.047 11 HH11 ARG 81 HH12 ARG 81 6.322 -18.679 -22.733 12 HH21 ARG 81 HH21 ARG 81 2.897 -20.776 -22.046 13 HH22 ARG 81 HH22 ARG 81 3.289 -20.228 -23.657 No H/Q in entry = 13 Start of MODEL 12 1 H VAL 82 H VAL 82 6.835 -19.158 -14.618 2 HA VAL 82 HA VAL 82 4.056 -18.586 -13.790 3 HB VAL 82 HB VAL 82 6.665 -18.312 -12.256 4 HG12 VAL 82 HG11 VAL 82 3.747 -18.370 -11.362 5 HG13 VAL 82 HG12 VAL 82 5.168 -18.273 -10.301 6 HG11 VAL 82 HG13 VAL 82 4.774 -16.922 -11.380 7 HG23 VAL 82 HG21 VAL 82 5.904 -20.403 -11.126 8 HG21 VAL 82 HG22 VAL 82 4.582 -20.540 -12.296 9 HG22 VAL 82 HG23 VAL 82 6.270 -20.680 -12.828 No H/Q in entry = 9 Start of MODEL 12 1 H ASN 83 H ASN 83 3.607 -16.965 -15.362 2 HA ASN 83 HA ASN 83 4.981 -14.353 -15.069 3 HB2 ASN 83 1HB ASN 83 2.874 -15.482 -16.925 4 HB3 ASN 83 2HB ASN 83 2.964 -13.738 -16.665 5 HD21 ASN 83 HD21 ASN 83 5.179 -12.726 -16.930 6 HD22 ASN 83 HD22 ASN 83 6.118 -13.288 -18.295 No H/Q in entry = 6 Start of MODEL 12 1 H HIS 84 H HIS 84 3.757 -12.501 -14.453 2 HA HIS 84 HA HIS 84 1.275 -12.689 -12.964 3 HB2 HIS 84 1HB HIS 84 2.952 -13.669 -11.363 4 HB3 HIS 84 2HB HIS 84 3.922 -12.209 -11.519 5 HD2 HIS 84 HD2 HIS 84 0.088 -12.703 -10.485 6 HE1 HIS 84 HE1 HIS 84 2.074 -10.234 -7.691 7 HE2 HIS 84 HE2 HIS 84 -0.167 -11.332 -8.283 No H/Q in entry = 7 Start of MODEL 12 1 H VAL 85 H VAL 85 0.948 -10.340 -11.915 2 HA VAL 85 HA VAL 85 1.354 -8.478 -14.010 3 HB VAL 85 HB VAL 85 -0.454 -8.511 -12.186 4 HG13 VAL 85 HG11 VAL 85 -0.114 -7.100 -10.253 5 HG11 VAL 85 HG12 VAL 85 1.119 -8.383 -10.226 6 HG12 VAL 85 HG13 VAL 85 1.548 -6.730 -10.721 7 HG23 VAL 85 HG21 VAL 85 0.851 -5.883 -12.994 8 HG21 VAL 85 HG22 VAL 85 -0.295 -6.829 -13.969 9 HG22 VAL 85 HG23 VAL 85 -0.824 -6.100 -12.444 No H/Q in entry = 9 Start of MODEL 12 1 H THR 86 H THR 86 3.179 -9.089 -10.999 2 HA THR 86 HA THR 86 5.088 -6.941 -11.457 3 HB THR 86 HB THR 86 6.338 -7.950 -9.628 4 HG1 THR 86 HG1 THR 86 4.349 -9.967 -9.675 5 HG23 THR 86 HG21 THR 86 4.697 -7.685 -7.837 6 HG22 THR 86 HG22 THR 86 3.356 -7.848 -8.985 7 HG21 THR 86 HG23 THR 86 4.447 -6.445 -9.081 No H/Q in entry = 7 Start of MODEL 12 1 H LEU 87 H LEU 87 5.058 -10.524 -11.856 2 HA LEU 87 HA LEU 87 7.654 -10.519 -13.221 3 HB2 LEU 87 1HB LEU 87 5.663 -12.780 -12.959 4 HB3 LEU 87 2HB LEU 87 7.354 -12.892 -13.432 5 HG LEU 87 HG LEU 87 6.432 -11.932 -10.677 6 HD12 LEU 87 HD11 LEU 87 7.325 -14.704 -11.554 7 HD11 LEU 87 HD12 LEU 87 5.682 -14.233 -11.066 8 HD13 LEU 87 HD13 LEU 87 7.007 -14.180 -9.887 9 HD21 LEU 87 HD21 LEU 87 9.138 -12.883 -11.727 10 HD23 LEU 87 HD22 LEU 87 8.768 -12.466 -10.040 11 HD22 LEU 87 HD23 LEU 87 8.722 -11.212 -11.287 No H/Q in entry = 11 Start of MODEL 12 1 H SER 88 H SER 88 6.756 -8.848 -14.734 2 HA SER 88 HA SER 88 5.087 -9.532 -16.939 3 HB2 SER 88 1HB SER 88 7.529 -7.708 -16.784 4 HB3 SER 88 2HB SER 88 6.302 -7.702 -18.070 5 HG SER 88 HG SER 88 5.909 -6.125 -16.455 No H/Q in entry = 5 Start of MODEL 12 1 H GLN 89 H GLN 89 8.336 -10.485 -15.996 2 HA GLN 89 HA GLN 89 9.072 -11.463 -18.650 3 HB2 GLN 89 1HB GLN 89 11.167 -12.086 -17.643 4 HB3 GLN 89 2HB GLN 89 10.747 -10.419 -17.220 5 HG2 GLN 89 1HG GLN 89 9.922 -11.261 -14.979 6 HG3 GLN 89 2HG GLN 89 10.495 -12.880 -15.424 7 HE21 GLN 89 HE21 GLN 89 11.512 -12.094 -13.172 8 HE22 GLN 89 HE22 GLN 89 13.155 -11.511 -13.332 No H/Q in entry = 8 Start of MODEL 12 1 HA PRO 90 HA PRO 90 7.302 -15.507 -17.677 2 HB2 PRO 90 1HB PRO 90 8.508 -17.071 -19.543 3 HB3 PRO 90 2HB PRO 90 7.290 -15.836 -19.970 4 HG2 PRO 90 1HG PRO 90 10.305 -15.553 -20.091 5 HG3 PRO 90 2HG PRO 90 9.112 -15.148 -21.357 6 HD2 PRO 90 1HD PRO 90 10.117 -13.274 -19.644 7 HD3 PRO 90 2HD PRO 90 8.415 -13.207 -20.199 No H/Q in entry = 7 Start of MODEL 12 1 H LYS 91 H LYS 91 7.959 -16.155 -15.686 2 HA LYS 91 HA LYS 91 10.799 -16.613 -15.117 3 HB2 LYS 91 1HB LYS 91 9.254 -15.447 -13.545 4 HB3 LYS 91 2HB LYS 91 8.388 -16.974 -13.307 5 HG2 LYS 91 1HG LYS 91 10.506 -18.031 -12.536 6 HG3 LYS 91 2HG LYS 91 11.350 -16.484 -12.773 7 HD2 LYS 91 1HD LYS 91 9.735 -15.425 -11.144 8 HD3 LYS 91 2HD LYS 91 9.072 -17.038 -10.819 9 HE2 LYS 91 1HE LYS 91 11.942 -16.097 -10.355 10 HE3 LYS 91 2HE LYS 91 10.721 -16.418 -9.110 11 HZ1 LYS 91 1HZ LYS 91 10.714 -18.706 -9.811 12 HZ3 LYS 91 2HZ LYS 91 12.219 -18.235 -9.333 13 HZ2 LYS 91 3HZ LYS 91 11.879 -18.403 -10.935 No H/Q in entry = 13 Start of MODEL 12 1 H ILE 92 H ILE 92 11.286 -18.342 -16.469 2 HA ILE 92 HA ILE 92 9.738 -20.792 -16.534 3 HB ILE 92 HB ILE 92 12.582 -20.294 -17.498 4 HG13 ILE 92 HG12 ILE 92 11.713 -19.851 -19.711 5 HG22 ILE 92 HG21 ILE 92 10.488 -22.350 -18.301 6 HG23 ILE 92 HG22 ILE 92 12.083 -22.156 -19.049 7 HG21 ILE 92 HG23 ILE 92 11.951 -22.670 -17.360 8 HD12 ILE 92 HD11 ILE 92 9.396 -19.184 -20.089 9 HD13 ILE 92 HD12 ILE 92 9.456 -20.885 -19.627 10 HD11 ILE 92 HD13 ILE 92 8.953 -19.659 -18.438 11 HG12 ILE 92 HG11 ILE 92 11.212 -18.617 -18.569 No H/Q in entry = 11 Start of MODEL 12 1 H VAL 93 H VAL 93 9.604 -21.737 -14.518 2 HA VAL 93 HA VAL 93 11.990 -22.103 -12.848 3 HB VAL 93 HB VAL 93 9.222 -23.321 -12.472 4 HG12 VAL 93 HG11 VAL 93 10.047 -23.343 -10.061 5 HG13 VAL 93 HG12 VAL 93 10.943 -24.425 -11.133 6 HG11 VAL 93 HG13 VAL 93 11.638 -22.862 -10.654 7 HG22 VAL 93 HG21 VAL 93 8.985 -20.868 -12.525 8 HG23 VAL 93 HG22 VAL 93 8.769 -21.528 -10.906 9 HG21 VAL 93 HG23 VAL 93 10.302 -20.721 -11.337 No H/Q in entry = 9 Start of MODEL 12 1 H LYS 94 H LYS 94 13.020 -24.101 -12.595 2 HA LYS 94 HA LYS 94 12.487 -26.136 -14.730 3 HB2 LYS 94 1HB LYS 94 15.080 -25.215 -13.446 4 HB3 LYS 94 2HB LYS 94 14.928 -26.551 -14.595 5 HG2 LYS 94 1HG LYS 94 14.108 -23.662 -15.218 6 HG3 LYS 94 2HG LYS 94 15.686 -24.364 -15.568 7 HD2 LYS 94 1HD LYS 94 14.415 -26.186 -16.912 8 HD3 LYS 94 2HD LYS 94 12.988 -25.152 -16.734 9 HE2 LYS 94 1HE LYS 94 13.968 -24.632 -18.852 10 HE3 LYS 94 2HE LYS 94 14.316 -23.264 -17.779 11 HZ3 LYS 94 1HZ LYS 94 16.507 -24.193 -17.451 12 HZ2 LYS 94 2HZ LYS 94 16.219 -23.912 -19.048 13 HZ1 LYS 94 3HZ LYS 94 16.159 -25.450 -18.458 No H/Q in entry = 13 Start of MODEL 12 1 H TRP 95 H TRP 95 11.244 -27.546 -13.686 2 HA TRP 95 HA TRP 95 11.114 -28.409 -11.107 3 HB2 TRP 95 1HB TRP 95 9.593 -29.225 -12.801 4 HB3 TRP 95 2HB TRP 95 10.906 -29.893 -13.737 5 HD1 TRP 95 HD1 TRP 95 9.678 -30.553 -10.096 6 HE1 TRP 95 HE1 TRP 95 9.774 -33.095 -9.675 7 HE3 TRP 95 HE3 TRP 95 11.380 -32.053 -14.644 8 HZ2 TRP 95 HZ2 TRP 95 10.442 -35.478 -11.161 9 HZ3 TRP 95 HZ3 TRP 95 11.797 -34.471 -15.113 10 HH2 TRP 95 HH2 TRP 95 11.256 -36.183 -13.398 No H/Q in entry = 10 Start of MODEL 12 1 H ASP 96 H ASP 96 12.557 -29.283 -9.741 2 HA ASP 96 HA ASP 96 15.068 -30.475 -10.661 3 HB2 ASP 96 1HB ASP 96 14.884 -29.059 -8.611 4 HB3 ASP 96 2HB ASP 96 13.940 -30.343 -7.843 No H/Q in entry = 4 Start of MODEL 12 1 H ARG 97 H ARG 97 15.363 -32.578 -11.022 2 HA ARG 97 HA ARG 97 13.158 -34.454 -10.977 3 HB2 ARG 97 1HB ARG 97 14.891 -36.040 -11.815 4 HB3 ARG 97 2HB ARG 97 14.487 -34.669 -12.846 5 HG2 ARG 97 1HG ARG 97 16.850 -34.366 -10.997 6 HG3 ARG 97 2HG ARG 97 17.029 -35.438 -12.381 7 HD2 ARG 97 1HD ARG 97 16.582 -33.734 -13.963 8 HD3 ARG 97 2HD ARG 97 16.061 -32.565 -12.759 9 HE ARG 97 HE ARG 97 18.736 -33.138 -13.598 10 HH12 ARG 97 HH11 ARG 97 18.293 -31.355 -9.969 11 HH11 ARG 97 HH12 ARG 97 16.931 -32.188 -10.661 12 HH21 ARG 97 HH21 ARG 97 20.489 -32.058 -12.641 13 HH22 ARG 97 HH22 ARG 97 20.312 -31.294 -11.078 No H/Q in entry = 13 Start of MODEL 12 1 H ASP 98 H ASP 98 12.651 -34.487 -8.830 2 HA ASP 98 HA ASP 98 12.374 -35.578 -6.973 3 HB2 ASP 98 1HB ASP 98 13.337 -37.593 -8.082 4 HB3 ASP 98 2HB ASP 98 14.914 -37.199 -7.375 No H/Q in entry = 4 Start of MODEL 12 1 H MET 99 H MET 99 12.518 -34.160 -5.371 2 HA MET 99 HA MET 99 13.195 -32.825 -3.749 3 HB2 MET 99 1HB MET 99 14.342 -34.891 -2.963 4 HB3 MET 99 2HB MET 99 15.840 -34.342 -3.731 5 HG2 MET 99 1HG MET 99 15.759 -32.274 -2.319 6 HG3 MET 99 2HG MET 99 14.287 -32.889 -1.551 7 HE3 MET 99 1HE MET 99 16.843 -33.143 1.350 8 HE1 MET 99 2HE MET 99 16.663 -31.862 0.132 9 HE2 MET 99 3HE MET 99 15.218 -32.610 0.854 No H/Q in entry = 9 Start of MODEL 13 1 H1 MET 0 2H MET 0 0.412 -1.705 -2.692 2 H2 MET 0 3H MET 0 -0.621 -2.795 -2.011 3 H3 MET 0 1H MET 0 -0.977 -1.185 -1.975 4 HA MET 0 HA MET 0 0.827 -0.708 -0.568 5 HB2 MET 0 1HB MET 0 -0.870 -3.023 0.445 6 HB3 MET 0 2HB MET 0 0.148 -1.987 1.462 7 HG2 MET 0 1HG MET 0 -1.145 -0.011 0.808 8 HG3 MET 0 2HG MET 0 -2.160 -0.995 -0.259 9 HE2 MET 0 1HE MET 0 -4.630 0.009 2.588 10 HE3 MET 0 2HE MET 0 -3.295 1.004 1.963 11 HE1 MET 0 3HE MET 0 -4.295 0.048 0.841 No H/Q in entry = 11 Start of MODEL 13 1 H ILE 1 H ILE 1 0.574 -4.298 -0.897 2 HA ILE 1 HA ILE 1 3.514 -4.427 -1.132 3 HB ILE 1 HB ILE 1 3.070 -4.831 1.209 4 HG13 ILE 1 HG12 ILE 1 4.893 -5.980 -0.034 5 HG21 ILE 1 HG21 ILE 1 0.714 -5.778 0.953 6 HG22 ILE 1 HG22 ILE 1 1.471 -7.322 0.504 7 HG23 ILE 1 HG23 ILE 1 1.766 -6.612 2.095 8 HD12 ILE 1 HD11 ILE 1 3.775 -7.764 2.160 9 HD13 ILE 1 HD12 ILE 1 5.454 -7.637 1.616 10 HD11 ILE 1 HD13 ILE 1 4.690 -6.264 2.441 11 HG12 ILE 1 HG11 ILE 1 3.846 -7.388 -0.266 No H/Q in entry = 11 Start of MODEL 13 1 H GLN 2 H GLN 2 3.874 -5.253 -3.049 2 HA GLN 2 HA GLN 2 1.905 -7.013 -4.370 3 HB2 GLN 2 1HB GLN 2 4.455 -5.687 -5.360 4 HB3 GLN 2 2HB GLN 2 3.329 -6.667 -6.321 5 HG2 GLN 2 1HG GLN 2 1.517 -5.063 -5.914 6 HG3 GLN 2 2HG GLN 2 2.569 -4.096 -4.870 7 HE21 GLN 2 HE21 GLN 2 2.730 -5.551 -8.194 8 HE22 GLN 2 HE22 GLN 2 3.371 -4.112 -8.955 No H/Q in entry = 8 Start of MODEL 13 1 H ARG 3 H ARG 3 2.253 -8.805 -2.898 2 HA ARG 3 HA ARG 3 4.742 -10.091 -2.484 3 HB2 ARG 3 1HB ARG 3 1.970 -11.354 -2.500 4 HB3 ARG 3 2HB ARG 3 3.436 -12.004 -1.750 5 HG2 ARG 3 1HG ARG 3 3.536 -10.041 -0.238 6 HG3 ARG 3 2HG ARG 3 2.023 -9.427 -0.939 7 HD2 ARG 3 1HD ARG 3 0.859 -11.503 -0.277 8 HD3 ARG 3 2HD ARG 3 2.333 -12.111 0.479 9 HE ARG 3 HE ARG 3 0.460 -10.138 1.498 10 HH12 ARG 3 HH11 ARG 3 4.070 -10.568 3.314 11 HH11 ARG 3 HH12 ARG 3 3.838 -11.235 1.717 12 HH21 ARG 3 HH21 ARG 3 0.800 -9.260 3.573 13 HH22 ARG 3 HH22 ARG 3 2.346 -9.443 4.367 No H/Q in entry = 13 Start of MODEL 13 1 H THR 4 H THR 4 5.911 -11.504 -3.696 2 HA THR 4 HA THR 4 5.143 -11.852 -6.492 3 HB THR 4 HB THR 4 7.518 -12.707 -6.660 4 HG1 THR 4 HG1 THR 4 7.678 -13.426 -4.501 5 HG22 THR 4 HG21 THR 4 7.201 -9.991 -5.310 6 HG21 THR 4 HG22 THR 4 6.968 -10.322 -7.041 7 HG23 THR 4 HG23 THR 4 8.568 -10.531 -6.306 No H/Q in entry = 7 Start of MODEL 13 1 HA PRO 5 HA PRO 5 3.942 -16.142 -6.101 2 HB2 PRO 5 1HB PRO 5 4.806 -17.178 -8.515 3 HB3 PRO 5 2HB PRO 5 3.389 -16.110 -8.337 4 HG2 PRO 5 1HG PRO 5 6.198 -15.343 -9.130 5 HG3 PRO 5 2HG PRO 5 4.662 -14.883 -9.924 6 HD2 PRO 5 1HD PRO 5 5.885 -13.215 -8.203 7 HD3 PRO 5 2HD PRO 5 4.108 -13.390 -8.156 No H/Q in entry = 7 Start of MODEL 13 1 H LYS 6 H LYS 6 5.132 -17.100 -4.466 2 HA LYS 6 HA LYS 6 7.986 -17.588 -4.719 3 HB2 LYS 6 1HB LYS 6 7.024 -17.041 -2.572 4 HB3 LYS 6 2HB LYS 6 5.974 -18.464 -2.626 5 HG2 LYS 6 1HG LYS 6 7.895 -19.966 -2.547 6 HG3 LYS 6 2HG LYS 6 9.016 -18.600 -2.731 7 HD2 LYS 6 1HD LYS 6 8.250 -17.680 -0.560 8 HD3 LYS 6 2HD LYS 6 7.137 -19.054 -0.372 9 HE2 LYS 6 1HE LYS 6 9.049 -20.622 -0.388 10 HE3 LYS 6 2HE LYS 6 10.174 -19.271 -0.636 11 HZ2 LYS 6 1HZ LYS 6 10.068 -19.934 1.640 12 HZ1 LYS 6 2HZ LYS 6 8.447 -19.640 1.706 13 HZ3 LYS 6 3HZ LYS 6 9.504 -18.395 1.469 No H/Q in entry = 13 Start of MODEL 13 1 H ILE 7 H ILE 7 8.941 -19.355 -5.459 2 HA ILE 7 HA ILE 7 7.287 -21.182 -7.025 3 HB ILE 7 HB ILE 7 10.271 -20.601 -6.952 4 HG13 ILE 7 HG12 ILE 7 8.722 -18.675 -7.644 5 HG22 ILE 7 HG21 ILE 7 8.601 -22.098 -9.010 6 HG23 ILE 7 HG22 ILE 7 10.340 -21.750 -9.139 7 HG21 ILE 7 HG23 ILE 7 9.764 -22.852 -7.896 8 HD11 ILE 7 HD11 ILE 7 11.058 -18.769 -8.397 9 HD12 ILE 7 HD12 ILE 7 10.547 -19.668 -9.842 10 HD13 ILE 7 HD13 ILE 7 9.960 -18.022 -9.575 11 HG12 ILE 7 HG11 ILE 7 8.199 -19.677 -9.000 No H/Q in entry = 11 Start of MODEL 13 1 H GLN 8 H GLN 8 6.795 -23.177 -6.308 2 HA GLN 8 HA GLN 8 8.800 -24.786 -4.807 3 HB2 GLN 8 1HB GLN 8 5.884 -24.445 -4.016 4 HB3 GLN 8 2HB GLN 8 7.022 -25.595 -3.310 5 HG2 GLN 8 1HG GLN 8 8.346 -23.777 -2.370 6 HG3 GLN 8 2HG GLN 8 7.381 -22.564 -3.224 7 HE21 GLN 8 HE21 GLN 8 6.547 -25.436 -1.175 8 HE22 GLN 8 HE22 GLN 8 5.448 -24.549 -0.141 No H/Q in entry = 8 Start of MODEL 13 1 H VAL 9 H VAL 9 9.020 -25.512 -7.094 2 HA VAL 9 HA VAL 9 6.786 -27.117 -8.172 3 HB VAL 9 HB VAL 9 9.418 -26.323 -9.365 4 HG11 VAL 9 HG11 VAL 9 6.983 -27.752 -10.487 5 HG12 VAL 9 HG12 VAL 9 8.199 -26.968 -11.527 6 HG13 VAL 9 HG13 VAL 9 8.654 -28.311 -10.483 7 HG23 VAL 9 HG21 VAL 9 7.897 -24.820 -10.763 8 HG21 VAL 9 HG22 VAL 9 6.604 -25.183 -9.626 9 HG22 VAL 9 HG23 VAL 9 8.052 -24.351 -9.053 No H/Q in entry = 9 Start of MODEL 13 1 H TYR 10 H TYR 10 6.907 -28.809 -6.699 2 HA TYR 10 HA TYR 10 9.290 -30.571 -6.771 3 HB2 TYR 10 1HB TYR 10 8.471 -31.483 -4.704 4 HB3 TYR 10 2HB TYR 10 8.692 -29.744 -4.649 5 HD1 TYR 10 HD1 TYR 10 6.228 -32.490 -4.525 6 HD2 TYR 10 HD2 TYR 10 6.808 -28.229 -4.322 7 HE1 TYR 10 HE1 TYR 10 3.964 -32.232 -3.560 8 HE2 TYR 10 HE2 TYR 10 4.522 -27.959 -3.406 9 HH TYR 10 HH TYR 10 2.561 -29.013 -2.824 No H/Q in entry = 9 Start of MODEL 13 1 H SER 11 H SER 11 9.032 -32.870 -6.641 2 HA SER 11 HA SER 11 7.152 -33.975 -8.581 3 HB2 SER 11 1HB SER 11 9.187 -35.463 -6.844 4 HB3 SER 11 2HB SER 11 8.457 -35.983 -8.372 5 HG SER 11 HG SER 11 10.281 -33.853 -7.948 No H/Q in entry = 5 Start of MODEL 13 1 H ARG 12 H ARG 12 5.227 -34.918 -8.007 2 HA ARG 12 HA ARG 12 4.561 -35.333 -5.194 3 HB2 ARG 12 1HB ARG 12 2.896 -34.545 -6.890 4 HB3 ARG 12 2HB ARG 12 2.991 -36.117 -7.676 5 HG2 ARG 12 1HG ARG 12 1.053 -36.108 -6.287 6 HG3 ARG 12 2HG ARG 12 2.220 -37.189 -5.512 7 HD2 ARG 12 1HD ARG 12 2.793 -35.457 -3.874 8 HD3 ARG 12 2HD ARG 12 1.839 -34.259 -4.776 9 HE ARG 12 HE ARG 12 0.222 -36.499 -3.995 10 HH12 ARG 12 HH11 ARG 12 0.584 -33.370 -1.420 11 HH11 ARG 12 HH12 ARG 12 1.771 -33.581 -2.684 12 HH21 ARG 12 HH21 ARG 12 -1.322 -36.206 -2.329 13 HH22 ARG 12 HH22 ARG 12 -1.175 -34.868 -1.214 No H/Q in entry = 13 Start of MODEL 13 1 H HIS 13 H HIS 13 4.467 -37.537 -8.037 2 HA HIS 13 HA HIS 13 5.182 -39.844 -6.354 3 HB2 HIS 13 1HB HIS 13 4.161 -39.553 -9.177 4 HB3 HIS 13 2HB HIS 13 4.508 -41.105 -8.409 5 HD1 HIS 13 HD1 HIS 13 2.837 -41.948 -6.595 6 HD2 HIS 13 HD2 HIS 13 1.857 -38.217 -8.231 7 HE1 HIS 13 HE1 HIS 13 0.483 -41.376 -5.823 No H/Q in entry = 7 Start of MODEL 13 1 HA PRO 14 HA PRO 14 9.357 -39.833 -7.796 2 HB2 PRO 14 1HB PRO 14 10.099 -42.467 -7.718 3 HB3 PRO 14 2HB PRO 14 9.718 -41.504 -6.263 4 HG2 PRO 14 1HG PRO 14 7.868 -43.380 -7.763 5 HG3 PRO 14 2HG PRO 14 8.190 -43.328 -6.007 6 HD2 PRO 14 1HD PRO 14 6.028 -42.098 -7.072 7 HD3 PRO 14 2HD PRO 14 6.945 -41.327 -5.748 No H/Q in entry = 7 Start of MODEL 13 1 H ALA 15 H ALA 15 10.083 -39.383 -9.786 2 HA ALA 15 HA ALA 15 9.035 -40.550 -12.219 3 HB3 ALA 15 1HB ALA 15 10.766 -39.102 -13.275 4 HB1 ALA 15 2HB ALA 15 9.713 -38.218 -12.149 5 HB2 ALA 15 3HB ALA 15 11.358 -38.666 -11.659 No H/Q in entry = 5 Start of MODEL 13 1 H GLU 16 H GLU 16 9.421 -42.721 -12.291 2 HA GLU 16 HA GLU 16 12.136 -43.772 -11.857 3 HB2 GLU 16 1HB GLU 16 9.944 -44.655 -10.879 4 HB3 GLU 16 2HB GLU 16 9.610 -45.316 -12.489 5 HG2 GLU 16 1HG GLU 16 11.709 -46.670 -12.312 6 HG3 GLU 16 2HG GLU 16 12.055 -45.907 -10.753 No H/Q in entry = 6 Start of MODEL 13 1 H ASN 17 H ASN 17 11.774 -42.090 -14.201 2 HA ASN 17 HA ASN 17 12.026 -41.988 -16.438 3 HB2 ASN 17 1HB ASN 17 13.868 -44.325 -15.813 4 HB3 ASN 17 2HB ASN 17 13.933 -43.312 -17.263 5 HD21 ASN 17 HD21 ASN 17 14.195 -40.906 -16.902 6 HD22 ASN 17 HD22 ASN 17 15.244 -40.403 -15.595 No H/Q in entry = 6 Start of MODEL 13 1 H GLY 18 H GLY 18 9.695 -42.748 -16.497 2 HA3 GLY 18 1HA GLY 18 8.608 -43.661 -18.515 3 HA2 GLY 18 2HA GLY 18 9.394 -45.211 -18.186 No H/Q in entry = 3 Start of MODEL 13 1 H LYS 19 H LYS 19 7.657 -42.805 -16.139 2 HA LYS 19 HA LYS 19 5.384 -44.539 -15.698 3 HB2 LYS 19 1HB LYS 19 7.133 -45.530 -14.144 4 HB3 LYS 19 2HB LYS 19 7.222 -43.943 -13.353 5 HG2 LYS 19 1HG LYS 19 4.808 -44.120 -12.750 6 HG3 LYS 19 2HG LYS 19 4.707 -45.644 -13.634 7 HD2 LYS 19 1HD LYS 19 4.873 -46.099 -11.254 8 HD3 LYS 19 2HD LYS 19 6.308 -46.699 -12.092 9 HE2 LYS 19 1HE LYS 19 6.880 -45.623 -9.948 10 HE3 LYS 19 2HE LYS 19 7.615 -44.766 -11.303 11 HZ1 LYS 19 1HZ LYS 19 5.172 -43.958 -9.897 12 HZ3 LYS 19 2HZ LYS 19 5.851 -43.166 -11.176 13 HZ2 LYS 19 3HZ LYS 19 6.667 -43.267 -9.753 No H/Q in entry = 13 Start of MODEL 13 1 H SER 20 H SER 20 3.694 -43.170 -15.421 2 HA SER 20 HA SER 20 4.064 -40.379 -15.551 3 HB2 SER 20 1HB SER 20 1.547 -41.934 -14.845 4 HB3 SER 20 2HB SER 20 1.624 -40.244 -15.382 5 HG SER 20 HG SER 20 1.198 -41.654 -17.109 No H/Q in entry = 5 Start of MODEL 13 1 H ASN 21 H ASN 21 3.680 -38.700 -14.132 2 HA ASN 21 HA ASN 21 3.249 -39.237 -11.258 3 HB2 ASN 21 1HB ASN 21 5.523 -37.493 -12.253 4 HB3 ASN 21 2HB ASN 21 5.236 -38.019 -10.597 5 HD21 ASN 21 HD21 ASN 21 5.415 -40.560 -10.331 6 HD22 ASN 21 HD22 ASN 21 6.735 -41.295 -11.214 No H/Q in entry = 6 Start of MODEL 13 1 H PHE 22 H PHE 22 2.487 -37.340 -10.148 2 HA PHE 22 HA PHE 22 1.479 -35.174 -11.875 3 HB2 PHE 22 1HB PHE 22 1.041 -35.902 -8.981 4 HB3 PHE 22 2HB PHE 22 0.559 -34.350 -9.654 5 HD1 PHE 22 HD1 PHE 22 -0.228 -37.947 -9.569 6 HD2 PHE 22 HD2 PHE 22 -1.115 -34.174 -11.466 7 HE1 PHE 22 HE1 PHE 22 -2.275 -38.921 -10.566 8 HE2 PHE 22 HE2 PHE 22 -3.211 -35.128 -12.379 9 HZ PHE 22 HZ PHE 22 -3.774 -37.514 -11.963 No H/Q in entry = 9 Start of MODEL 13 1 H LEU 23 H LEU 23 2.394 -33.246 -12.080 2 HA LEU 23 HA LEU 23 4.800 -32.492 -10.574 3 HB2 LEU 23 1HB LEU 23 4.449 -31.997 -13.043 4 HB3 LEU 23 2HB LEU 23 3.103 -30.953 -12.597 5 HG LEU 23 HG LEU 23 4.678 -29.458 -11.390 6 HD13 LEU 23 HD11 LEU 23 6.426 -30.993 -10.661 7 HD12 LEU 23 HD12 LEU 23 7.144 -29.825 -11.767 8 HD11 LEU 23 HD13 LEU 23 6.780 -31.461 -12.344 9 HD23 LEU 23 HD21 LEU 23 5.906 -28.655 -13.419 10 HD22 LEU 23 HD22 LEU 23 4.210 -29.039 -13.764 11 HD21 LEU 23 HD23 LEU 23 5.495 -30.167 -14.248 No H/Q in entry = 11 Start of MODEL 13 1 H ASN 24 H ASN 24 4.750 -30.752 -8.975 2 HA ASN 24 HA ASN 24 2.034 -29.622 -8.343 3 HB2 ASN 24 1HB ASN 24 4.093 -30.803 -6.450 4 HB3 ASN 24 2HB ASN 24 2.899 -29.591 -5.947 5 HD21 ASN 24 HD21 ASN 24 1.792 -30.886 -4.487 6 HD22 ASN 24 HD22 ASN 24 0.797 -32.233 -5.002 No H/Q in entry = 6 Start of MODEL 13 1 H CYS 25 H CYS 25 2.650 -27.884 -9.700 2 HA CYS 25 HA CYS 25 4.826 -26.119 -8.791 3 HB2 CYS 25 1HB CYS 25 2.699 -25.838 -10.937 4 HB3 CYS 25 2HB CYS 25 3.883 -24.583 -10.532 No H/Q in entry = 4 Start of MODEL 13 1 H TYR 26 H TYR 26 4.114 -26.004 -6.609 2 HA TYR 26 HA TYR 26 1.521 -24.854 -5.939 3 HB2 TYR 26 1HB TYR 26 2.601 -26.685 -4.691 4 HB3 TYR 26 2HB TYR 26 3.922 -25.626 -4.250 5 HD1 TYR 26 HD1 TYR 26 3.544 -23.742 -2.620 6 HD2 TYR 26 HD2 TYR 26 0.516 -26.678 -3.516 7 HE1 TYR 26 HE1 TYR 26 2.393 -23.205 -0.500 8 HE2 TYR 26 HE2 TYR 26 -0.642 -26.127 -1.405 9 HH TYR 26 HH TYR 26 0.560 -23.594 0.836 No H/Q in entry = 9 Start of MODEL 13 1 H VAL 27 H VAL 27 1.399 -22.706 -6.605 2 HA VAL 27 HA VAL 27 3.722 -20.942 -6.139 3 HB VAL 27 HB VAL 27 1.226 -20.480 -7.778 4 HG11 VAL 27 HG11 VAL 27 3.865 -18.981 -7.431 5 HG12 VAL 27 HG12 VAL 27 2.674 -18.639 -8.698 6 HG13 VAL 27 HG13 VAL 27 2.255 -18.373 -7.001 7 HG22 VAL 27 HG21 VAL 27 2.619 -22.278 -8.745 8 HG23 VAL 27 HG22 VAL 27 2.812 -20.797 -9.684 9 HG21 VAL 27 HG23 VAL 27 4.078 -21.287 -8.543 No H/Q in entry = 9 Start of MODEL 13 1 H SER 28 H SER 28 3.682 -20.177 -4.048 2 HA SER 28 HA SER 28 1.128 -19.383 -2.804 3 HB2 SER 28 1HB SER 28 2.504 -19.394 -0.732 4 HB3 SER 28 2HB SER 28 2.407 -20.938 -1.598 5 HG SER 28 HG SER 28 4.520 -20.621 -1.073 No H/Q in entry = 5 Start of MODEL 13 1 H GLY 29 H GLY 29 0.569 -17.349 -2.338 2 HA3 GLY 29 1HA GLY 29 0.697 -15.191 -1.679 3 HA2 GLY 29 2HA GLY 29 2.448 -15.361 -1.537 No H/Q in entry = 3 Start of MODEL 13 1 H PHE 30 H PHE 30 0.272 -15.594 -4.412 2 HA PHE 30 HA PHE 30 1.869 -13.526 -5.808 3 HB2 PHE 30 1HB PHE 30 0.618 -14.206 -7.777 4 HB3 PHE 30 2HB PHE 30 1.609 -15.432 -7.004 5 HD1 PHE 30 HD1 PHE 30 -1.804 -14.529 -8.025 6 HD2 PHE 30 HD2 PHE 30 0.570 -17.323 -5.752 7 HE1 PHE 30 HE1 PHE 30 -3.780 -16.006 -7.758 8 HE2 PHE 30 HE2 PHE 30 -1.422 -18.764 -5.469 9 HZ PHE 30 HZ PHE 30 -3.598 -18.071 -6.372 No H/Q in entry = 9 Start of MODEL 13 1 H HIS 31 H HIS 31 1.197 -11.633 -4.877 2 HA HIS 31 HA HIS 31 -1.672 -10.863 -5.039 3 HB2 HIS 31 1HB HIS 31 0.593 -9.804 -3.420 4 HB3 HIS 31 2HB HIS 31 -0.902 -8.916 -3.682 5 HD1 HIS 31 HD1 HIS 31 -2.579 -9.243 -1.931 6 HD2 HIS 31 HD2 HIS 31 -0.395 -12.741 -2.659 7 HE1 HIS 31 HE1 HIS 31 -3.618 -11.083 -0.539 No H/Q in entry = 7 Start of MODEL 13 1 HA PRO 32 HA PRO 32 -3.120 -9.500 -5.937 2 HB2 PRO 32 1HB PRO 32 -4.410 -8.872 -8.214 3 HB3 PRO 32 2HB PRO 32 -3.647 -7.633 -7.181 4 HG2 PRO 32 1HG PRO 32 -2.430 -8.974 -9.623 5 HG3 PRO 32 2HG PRO 32 -2.625 -7.215 -9.342 6 HD2 PRO 32 1HD PRO 32 -0.295 -8.493 -8.722 7 HD3 PRO 32 2HD PRO 32 -0.944 -7.223 -7.648 No H/Q in entry = 7 Start of MODEL 13 1 H SER 33 H SER 33 -4.946 -10.791 -7.136 2 HA SER 33 HA SER 33 -4.071 -13.477 -7.246 3 HB2 SER 33 1HB SER 33 -6.471 -13.942 -7.644 4 HB3 SER 33 2HB SER 33 -6.228 -12.778 -6.332 5 HG SER 33 HG SER 33 -7.849 -12.127 -7.824 No H/Q in entry = 5 Start of MODEL 13 1 H ASP 34 H ASP 34 -4.080 -11.203 -9.831 2 HA ASP 34 HA ASP 34 -5.082 -12.961 -11.889 3 HB2 ASP 34 1HB ASP 34 -3.687 -10.271 -12.114 4 HB3 ASP 34 2HB ASP 34 -4.664 -11.073 -13.354 No H/Q in entry = 4 Start of MODEL 13 1 H ILE 35 H ILE 35 -3.323 -14.617 -11.120 2 HA ILE 35 HA ILE 35 -0.744 -14.247 -12.483 3 HB ILE 35 HB ILE 35 -0.886 -15.146 -10.177 4 HG13 ILE 35 HG12 ILE 35 1.054 -15.428 -11.647 5 HG23 ILE 35 HG21 ILE 35 -1.611 -17.418 -9.756 6 HG21 ILE 35 HG22 ILE 35 -2.939 -16.607 -10.591 7 HG22 ILE 35 HG23 ILE 35 -1.881 -17.717 -11.482 8 HD13 ILE 35 HD11 ILE 35 2.149 -17.168 -10.437 9 HD11 ILE 35 HD12 ILE 35 1.092 -16.291 -9.319 10 HD12 ILE 35 HD13 ILE 35 0.614 -17.894 -9.931 11 HG12 ILE 35 HG11 ILE 35 0.431 -16.990 -12.204 No H/Q in entry = 11 Start of MODEL 13 1 H GLU 36 H GLU 36 0.054 -15.696 -14.053 2 HA GLU 36 HA GLU 36 -1.917 -17.357 -15.568 3 HB2 GLU 36 1HB GLU 36 0.110 -15.374 -16.602 4 HB3 GLU 36 2HB GLU 36 -0.825 -16.481 -17.626 5 HG2 GLU 36 1HG GLU 36 -2.926 -15.405 -16.847 6 HG3 GLU 36 2HG GLU 36 -1.980 -14.255 -15.887 No H/Q in entry = 6 Start of MODEL 13 1 H VAL 37 H VAL 37 -0.886 -18.981 -14.185 2 HA VAL 37 HA VAL 37 1.867 -19.794 -14.799 3 HB VAL 37 HB VAL 37 -0.301 -21.361 -13.402 4 HG11 VAL 37 HG11 VAL 37 2.738 -21.646 -13.447 5 HG12 VAL 37 HG12 VAL 37 1.635 -22.617 -12.454 6 HG13 VAL 37 HG13 VAL 37 1.587 -22.752 -14.214 7 HG21 VAL 37 HG21 VAL 37 1.792 -19.435 -12.308 8 HG22 VAL 37 HG22 VAL 37 0.027 -19.359 -12.096 9 HG23 VAL 37 HG23 VAL 37 0.961 -20.633 -11.303 No H/Q in entry = 9 Start of MODEL 13 1 H ASP 38 H ASP 38 1.685 -19.774 -17.045 2 HA ASP 38 HA ASP 38 -0.228 -21.558 -18.432 3 HB2 ASP 38 1HB ASP 38 1.856 -19.576 -19.415 4 HB3 ASP 38 2HB ASP 38 0.691 -20.450 -20.440 No H/Q in entry = 4 Start of MODEL 13 1 H LEU 39 H LEU 39 1.155 -23.205 -17.014 2 HA LEU 39 HA LEU 39 3.764 -23.782 -17.621 3 HB2 LEU 39 1HB LEU 39 3.521 -25.851 -16.500 4 HB3 LEU 39 2HB LEU 39 2.565 -24.640 -15.649 5 HG LEU 39 HG LEU 39 1.472 -26.677 -17.639 6 HD12 LEU 39 HD11 LEU 39 0.679 -27.911 -15.598 7 HD11 LEU 39 HD12 LEU 39 1.523 -26.733 -14.577 8 HD13 LEU 39 HD13 LEU 39 2.447 -27.802 -15.655 9 HD22 LEU 39 HD21 LEU 39 -0.127 -24.871 -17.445 10 HD21 LEU 39 HD22 LEU 39 0.058 -24.822 -15.672 11 HD23 LEU 39 HD23 LEU 39 -0.708 -26.210 -16.462 No H/Q in entry = 11 Start of MODEL 13 1 H LEU 40 H LEU 40 4.829 -25.461 -18.549 2 HA LEU 40 HA LEU 40 3.732 -26.369 -21.166 3 HB2 LEU 40 1HB LEU 40 6.592 -25.546 -20.516 4 HB3 LEU 40 2HB LEU 40 5.938 -25.974 -22.101 5 HG LEU 40 HG LEU 40 5.253 -23.492 -20.451 6 HD12 LEU 40 HD11 LEU 40 6.734 -23.837 -23.091 7 HD11 LEU 40 HD12 LEU 40 7.471 -23.443 -21.523 8 HD13 LEU 40 HD13 LEU 40 6.360 -22.296 -22.294 9 HD21 LEU 40 HD21 LEU 40 4.175 -24.469 -23.129 10 HD23 LEU 40 HD22 LEU 40 3.986 -22.806 -22.524 11 HD22 LEU 40 HD23 LEU 40 3.248 -24.140 -21.653 No H/Q in entry = 11 Start of MODEL 13 1 H LYS 41 H LYS 41 4.563 -28.346 -21.961 2 HA LYS 41 HA LYS 41 6.240 -29.967 -20.168 3 HB2 LYS 41 1HB LYS 41 4.884 -31.902 -20.343 4 HB3 LYS 41 2HB LYS 41 3.916 -30.609 -19.676 5 HG2 LYS 41 1HG LYS 41 2.388 -31.380 -21.144 6 HG3 LYS 41 2HG LYS 41 3.226 -30.351 -22.295 7 HD2 LYS 41 1HD LYS 41 2.955 -32.436 -23.391 8 HD3 LYS 41 2HD LYS 41 4.642 -32.447 -22.878 9 HE2 LYS 41 1HE LYS 41 3.716 -34.609 -22.436 10 HE3 LYS 41 2HE LYS 41 3.959 -33.838 -20.867 11 HZ2 LYS 41 1HZ LYS 41 1.862 -34.922 -21.017 12 HZ1 LYS 41 2HZ LYS 41 1.418 -34.009 -22.316 13 HZ3 LYS 41 3HZ LYS 41 1.636 -33.300 -20.843 No H/Q in entry = 13 Start of MODEL 13 1 H ASN 42 H ASN 42 7.852 -30.756 -21.283 2 HA ASN 42 HA ASN 42 9.349 -30.810 -22.995 3 HB2 ASN 42 1HB ASN 42 7.046 -32.187 -24.433 4 HB3 ASN 42 2HB ASN 42 8.770 -32.377 -24.781 5 HD21 ASN 42 HD21 ASN 42 10.163 -33.235 -22.951 6 HD22 ASN 42 HD22 ASN 42 9.445 -34.473 -21.936 No H/Q in entry = 6 Start of MODEL 13 1 H GLY 43 H GLY 43 8.092 -28.312 -22.859 2 HA3 GLY 43 1HA GLY 43 8.427 -26.408 -24.091 3 HA2 GLY 43 2HA GLY 43 8.542 -27.328 -25.588 No H/Q in entry = 3 Start of MODEL 13 1 H GLU 44 H GLU 44 5.801 -28.708 -24.924 2 HA GLU 44 HA GLU 44 4.290 -26.597 -26.317 3 HB2 GLU 44 1HB GLU 44 2.644 -28.369 -26.737 4 HB3 GLU 44 2HB GLU 44 4.251 -28.724 -27.381 5 HG2 GLU 44 1HG GLU 44 4.697 -30.342 -25.678 6 HG3 GLU 44 2HG GLU 44 3.293 -29.836 -24.716 No H/Q in entry = 6 Start of MODEL 13 1 H ARG 45 H ARG 45 2.250 -25.809 -25.657 2 HA ARG 45 HA ARG 45 1.944 -25.625 -22.782 3 HB2 ARG 45 1HB ARG 45 1.527 -23.733 -24.388 4 HB3 ARG 45 2HB ARG 45 0.036 -24.563 -24.888 5 HG2 ARG 45 1HG ARG 45 -0.764 -24.508 -22.526 6 HG3 ARG 45 2HG ARG 45 0.757 -23.740 -22.029 7 HD2 ARG 45 1HD ARG 45 0.204 -21.780 -23.459 8 HD3 ARG 45 2HD ARG 45 -1.328 -22.567 -23.903 9 HE ARG 45 HE ARG 45 -0.965 -22.400 -21.035 10 HH12 ARG 45 HH11 ARG 45 -2.991 -19.406 -22.877 11 HH11 ARG 45 HH12 ARG 45 -1.985 -20.460 -23.842 12 HH21 ARG 45 HH21 ARG 45 -2.276 -20.999 -19.815 13 HH22 ARG 45 HH22 ARG 45 -3.163 -19.716 -20.598 No H/Q in entry = 13 Start of MODEL 13 1 H ILE 46 H ILE 46 0.401 -26.494 -21.493 2 HA ILE 46 HA ILE 46 -0.543 -29.092 -22.408 3 HB ILE 46 HB ILE 46 -0.740 -27.895 -19.621 4 HG13 ILE 46 HG12 ILE 46 1.553 -27.609 -20.223 5 HG22 ILE 46 HG21 ILE 46 -0.480 -30.778 -20.587 6 HG23 ILE 46 HG22 ILE 46 -0.773 -30.230 -18.921 7 HG21 ILE 46 HG23 ILE 46 -2.016 -30.007 -20.145 8 HD11 ILE 46 HD11 ILE 46 1.030 -28.875 -18.037 9 HD12 ILE 46 HD12 ILE 46 1.644 -30.301 -18.903 10 HD13 ILE 46 HD13 ILE 46 2.692 -28.891 -18.658 11 HG12 ILE 46 HG11 ILE 46 1.636 -29.184 -21.003 No H/Q in entry = 11 Start of MODEL 13 1 H GLU 47 H GLU 47 -2.567 -29.324 -23.243 2 HA GLU 47 HA GLU 47 -4.680 -27.373 -22.611 3 HB2 GLU 47 1HB GLU 47 -4.051 -28.234 -24.939 4 HB3 GLU 47 2HB GLU 47 -4.862 -29.739 -24.498 5 HG2 GLU 47 1HG GLU 47 -6.972 -28.422 -24.091 6 HG3 GLU 47 2HG GLU 47 -6.098 -26.937 -24.491 No H/Q in entry = 6 Start of MODEL 13 1 H LYS 48 H LYS 48 -3.950 -28.843 -20.348 2 HA LYS 48 HA LYS 48 -6.490 -29.786 -19.503 3 HB2 LYS 48 1HB LYS 48 -5.666 -31.881 -20.740 4 HB3 LYS 48 2HB LYS 48 -4.354 -31.946 -19.567 5 HG2 LYS 48 1HG LYS 48 -6.286 -31.904 -17.762 6 HG3 LYS 48 2HG LYS 48 -7.370 -32.129 -19.123 7 HD2 LYS 48 1HD LYS 48 -6.909 -34.245 -18.024 8 HD3 LYS 48 2HD LYS 48 -6.293 -34.269 -19.682 9 HE2 LYS 48 1HE LYS 48 -4.772 -35.328 -17.987 10 HE3 LYS 48 2HE LYS 48 -4.000 -34.033 -18.904 11 HZ3 LYS 48 1HZ LYS 48 -4.369 -32.576 -17.047 12 HZ2 LYS 48 2HZ LYS 48 -3.523 -33.908 -16.573 13 HZ1 LYS 48 3HZ LYS 48 -5.118 -33.771 -16.194 No H/Q in entry = 13 Start of MODEL 13 1 H VAL 49 H VAL 49 -5.473 -27.777 -18.448 2 HA VAL 49 HA VAL 49 -3.511 -28.326 -16.339 3 HB VAL 49 HB VAL 49 -5.123 -25.816 -16.903 4 HG11 VAL 49 HG11 VAL 49 -2.633 -26.352 -15.232 5 HG12 VAL 49 HG12 VAL 49 -3.264 -24.737 -15.629 6 HG13 VAL 49 HG13 VAL 49 -4.229 -25.853 -14.649 7 HG23 VAL 49 HG21 VAL 49 -2.952 -25.031 -17.975 8 HG21 VAL 49 HG22 VAL 49 -2.410 -26.725 -17.949 9 HG22 VAL 49 HG23 VAL 49 -3.840 -26.254 -18.887 No H/Q in entry = 9 Start of MODEL 13 1 H GLU 50 H GLU 50 -4.056 -29.008 -14.374 2 HA GLU 50 HA GLU 50 -6.879 -28.789 -13.397 3 HB2 GLU 50 1HB GLU 50 -4.767 -30.866 -12.718 4 HB3 GLU 50 2HB GLU 50 -6.431 -30.794 -12.109 5 HG2 GLU 50 1HG GLU 50 -7.280 -31.125 -14.419 6 HG3 GLU 50 2HG GLU 50 -5.615 -31.231 -15.017 No H/Q in entry = 6 Start of MODEL 13 1 H HIS 51 H HIS 51 -7.134 -27.770 -11.431 2 HA HIS 51 HA HIS 51 -4.818 -27.046 -9.776 3 HB2 HIS 51 1HB HIS 51 -5.256 -24.606 -10.125 4 HB3 HIS 51 2HB HIS 51 -4.630 -25.425 -11.552 5 HD1 HIS 51 HD1 HIS 51 -6.116 -25.541 -13.649 6 HD2 HIS 51 HD2 HIS 51 -8.053 -23.869 -10.329 7 HE1 HIS 51 HE1 HIS 51 -8.304 -24.541 -14.470 No H/Q in entry = 7 Start of MODEL 13 1 H SER 52 H SER 52 -5.550 -25.540 -7.977 2 HA SER 52 HA SER 52 -8.140 -26.535 -6.889 3 HB2 SER 52 1HB SER 52 -5.995 -27.108 -5.739 4 HB3 SER 52 2HB SER 52 -5.734 -25.378 -5.433 5 HG SER 52 HG SER 52 -7.985 -26.911 -4.609 No H/Q in entry = 5 Start of MODEL 13 1 H ASP 53 H ASP 53 -8.787 -24.838 -5.004 2 HA ASP 53 HA ASP 53 -9.834 -22.550 -6.429 3 HB2 ASP 53 1HB ASP 53 -9.976 -23.255 -3.469 4 HB3 ASP 53 2HB ASP 53 -10.972 -22.064 -4.312 No H/Q in entry = 4 Start of MODEL 13 1 H LEU 54 H LEU 54 -9.721 -20.327 -5.527 2 HA LEU 54 HA LEU 54 -6.972 -19.496 -5.010 3 HB2 LEU 54 1HB LEU 54 -8.519 -18.257 -6.546 4 HB3 LEU 54 2HB LEU 54 -9.544 -17.880 -5.159 5 HG LEU 54 HG LEU 54 -7.429 -16.803 -4.102 6 HD11 LEU 54 HD11 LEU 54 -6.490 -16.976 -7.003 7 HD13 LEU 54 HD12 LEU 54 -5.731 -17.753 -5.598 8 HD12 LEU 54 HD13 LEU 54 -5.742 -15.989 -5.732 9 HD23 LEU 54 HD21 LEU 54 -8.625 -15.595 -6.642 10 HD22 LEU 54 HD22 LEU 54 -7.787 -14.696 -5.358 11 HD21 LEU 54 HD23 LEU 54 -9.329 -15.498 -5.012 No H/Q in entry = 11 Start of MODEL 13 1 H SER 55 H SER 55 -6.642 -20.554 -3.045 2 HA SER 55 HA SER 55 -8.436 -20.042 -0.760 3 HB2 SER 55 1HB SER 55 -6.151 -22.005 -1.152 4 HB3 SER 55 2HB SER 55 -7.242 -21.925 0.255 5 HG SER 55 HG SER 55 -7.927 -23.455 -1.294 No H/Q in entry = 5 Start of MODEL 13 1 H PHE 56 H PHE 56 -7.865 -18.996 1.060 2 HA PHE 56 HA PHE 56 -5.424 -17.346 1.056 3 HB2 PHE 56 1HB PHE 56 -7.719 -17.377 3.044 4 HB3 PHE 56 2HB PHE 56 -6.543 -16.100 2.775 5 HD1 PHE 56 HD1 PHE 56 -6.788 -14.565 0.846 6 HD2 PHE 56 HD2 PHE 56 -9.646 -17.706 1.588 7 HE1 PHE 56 HE1 PHE 56 -8.380 -13.513 -0.759 8 HE2 PHE 56 HE2 PHE 56 -11.212 -16.664 -0.021 9 HZ PHE 56 HZ PHE 56 -10.577 -14.573 -1.204 No H/Q in entry = 9 Start of MODEL 13 1 H SER 57 H SER 57 -3.715 -17.715 2.490 2 HA SER 57 HA SER 57 -3.787 -20.050 4.281 3 HB2 SER 57 1HB SER 57 -1.644 -17.943 3.785 4 HB3 SER 57 2HB SER 57 -1.450 -19.432 4.737 5 HG SER 57 HG SER 57 -0.711 -19.665 2.603 No H/Q in entry = 5 Start of MODEL 13 1 H LYS 58 H LYS 58 -5.804 -18.571 5.139 2 HA LYS 58 HA LYS 58 -6.741 -17.024 6.422 3 HB2 LYS 58 1HB LYS 58 -6.433 -17.281 8.795 4 HB3 LYS 58 2HB LYS 58 -6.559 -18.826 7.977 5 HG2 LYS 58 1HG LYS 58 -3.802 -17.719 8.549 6 HG3 LYS 58 2HG LYS 58 -4.748 -18.314 9.898 7 HD2 LYS 58 1HD LYS 58 -4.277 -20.045 7.439 8 HD3 LYS 58 2HD LYS 58 -3.157 -19.971 8.806 9 HE2 LYS 58 1HE LYS 58 -5.002 -20.642 10.342 10 HE3 LYS 58 2HE LYS 58 -6.091 -20.801 8.951 11 HZ2 LYS 58 1HZ LYS 58 -3.625 -22.315 9.389 12 HZ1 LYS 58 2HZ LYS 58 -4.601 -22.443 8.066 13 HZ3 LYS 58 3HZ LYS 58 -5.166 -22.878 9.553 No H/Q in entry = 13 Start of MODEL 13 1 H ASP 59 H ASP 59 -4.734 -15.881 4.883 2 HA ASP 59 HA ASP 59 -4.218 -13.347 6.210 3 HB2 ASP 59 1HB ASP 59 -1.969 -15.275 5.434 4 HB3 ASP 59 2HB ASP 59 -1.721 -13.540 5.622 No H/Q in entry = 4 Start of MODEL 13 1 H GLY 60 H GLY 60 -2.936 -11.969 4.537 2 HA3 GLY 60 1HA GLY 60 -4.133 -12.204 1.875 3 HA2 GLY 60 2HA GLY 60 -3.007 -10.974 2.464 No H/Q in entry = 3 Start of MODEL 13 1 H SER 61 H SER 61 -3.124 -14.472 1.670 2 HA SER 61 HA SER 61 -0.746 -14.319 -0.011 3 HB2 SER 61 1HB SER 61 -0.722 -15.931 2.577 4 HB3 SER 61 2HB SER 61 0.398 -16.179 1.222 5 HG SER 61 HG SER 61 0.070 -13.757 2.652 No H/Q in entry = 5 Start of MODEL 13 1 H PHE 62 H PHE 62 -1.957 -15.072 -1.711 2 HA PHE 62 HA PHE 62 -3.934 -17.168 -1.382 3 HB2 PHE 62 1HB PHE 62 -2.840 -16.015 -3.955 4 HB3 PHE 62 2HB PHE 62 -4.392 -16.812 -3.702 5 HD1 PHE 62 HD1 PHE 62 -3.639 -14.040 -4.961 6 HD2 PHE 62 HD2 PHE 62 -5.190 -15.232 -1.118 7 HE1 PHE 62 HE1 PHE 62 -4.554 -11.761 -4.621 8 HE2 PHE 62 HE2 PHE 62 -6.049 -12.932 -0.768 9 HZ PHE 62 HZ PHE 62 -5.795 -11.218 -2.538 No H/Q in entry = 9 Start of MODEL 13 1 H TYR 63 H TYR 63 -3.330 -19.313 -1.270 2 HA TYR 63 HA TYR 63 -0.913 -20.217 -2.721 3 HB2 TYR 63 1HB TYR 63 -0.755 -21.982 -1.338 4 HB3 TYR 63 2HB TYR 63 -1.029 -20.550 -0.368 5 HD1 TYR 63 HD1 TYR 63 -3.296 -20.237 0.769 6 HD2 TYR 63 HD2 TYR 63 -2.208 -23.883 -1.257 7 HE1 TYR 63 HE1 TYR 63 -5.078 -21.458 1.988 8 HE2 TYR 63 HE2 TYR 63 -4.012 -25.086 -0.069 9 HH TYR 63 HH TYR 63 -5.770 -24.919 1.405 No H/Q in entry = 9 Start of MODEL 13 1 H LEU 64 H LEU 64 -1.409 -20.726 -4.798 2 HA LEU 64 HA LEU 64 -3.654 -22.585 -5.388 3 HB2 LEU 64 1HB LEU 64 -2.709 -20.299 -6.618 4 HB3 LEU 64 2HB LEU 64 -2.158 -21.585 -7.674 5 HG LEU 64 HG LEU 64 -5.035 -21.220 -6.676 6 HD12 LEU 64 HD11 LEU 64 -5.466 -20.401 -8.999 7 HD11 LEU 64 HD12 LEU 64 -3.712 -20.409 -9.284 8 HD13 LEU 64 HD13 LEU 64 -4.412 -19.326 -8.073 9 HD22 LEU 64 HD21 LEU 64 -4.722 -23.519 -7.339 10 HD21 LEU 64 HD22 LEU 64 -3.792 -23.034 -8.786 11 HD23 LEU 64 HD23 LEU 64 -5.527 -22.703 -8.680 No H/Q in entry = 11 Start of MODEL 13 1 H LEU 65 H LEU 65 -3.026 -24.347 -7.090 2 HA LEU 65 HA LEU 65 -0.252 -24.693 -7.630 3 HB2 LEU 65 1HB LEU 65 0.261 -26.733 -6.827 4 HB3 LEU 65 2HB LEU 65 -0.649 -26.058 -5.474 5 HG LEU 65 HG LEU 65 -1.682 -27.951 -7.589 6 HD11 LEU 65 HD11 LEU 65 -0.025 -29.031 -6.180 7 HD13 LEU 65 HD12 LEU 65 -1.632 -29.665 -5.791 8 HD12 LEU 65 HD13 LEU 65 -0.860 -28.483 -4.712 9 HD21 LEU 65 HD21 LEU 65 -2.998 -26.961 -5.012 10 HD23 LEU 65 HD22 LEU 65 -3.629 -28.278 -6.023 11 HD22 LEU 65 HD23 LEU 65 -3.556 -26.636 -6.667 No H/Q in entry = 11 Start of MODEL 13 1 H TYR 66 H TYR 66 0.160 -26.196 -9.396 2 HA TYR 66 HA TYR 66 -2.206 -26.514 -11.204 3 HB2 TYR 66 1HB TYR 66 0.467 -25.181 -11.773 4 HB3 TYR 66 2HB TYR 66 -0.696 -25.663 -13.006 5 HD1 TYR 66 HD1 TYR 66 -2.822 -24.508 -13.282 6 HD2 TYR 66 HD2 TYR 66 -0.061 -23.269 -10.224 7 HE1 TYR 66 HE1 TYR 66 -3.896 -22.277 -13.230 8 HE2 TYR 66 HE2 TYR 66 -1.188 -21.063 -10.109 9 HH TYR 66 HH TYR 66 -2.710 -19.642 -11.119 No H/Q in entry = 9 Start of MODEL 13 1 H TYR 67 H TYR 67 -2.293 -28.688 -11.047 2 HA TYR 67 HA TYR 67 0.185 -30.250 -11.189 3 HB2 TYR 67 1HB TYR 67 -1.081 -32.020 -10.139 4 HB3 TYR 67 2HB TYR 67 -0.978 -30.545 -9.209 5 HD1 TYR 67 HD1 TYR 67 -3.021 -29.034 -8.997 6 HD2 TYR 67 HD2 TYR 67 -3.218 -33.021 -10.624 7 HE1 TYR 67 HE1 TYR 67 -5.437 -29.127 -8.487 8 HE2 TYR 67 HE2 TYR 67 -5.650 -33.071 -10.199 9 HH TYR 67 HH TYR 67 -7.399 -30.309 -8.725 No H/Q in entry = 9 Start of MODEL 13 1 H THR 68 H THR 68 0.594 -30.469 -13.431 2 HA THR 68 HA THR 68 -1.373 -31.918 -15.083 3 HB THR 68 HB THR 68 0.026 -30.235 -16.140 4 HG1 THR 68 HG1 THR 68 0.693 -31.633 -17.830 5 HG22 THR 68 HG21 THR 68 2.395 -32.072 -15.527 6 HG21 THR 68 HG22 THR 68 2.131 -30.459 -14.829 7 HG23 THR 68 HG23 THR 68 2.424 -30.641 -16.562 No H/Q in entry = 7 Start of MODEL 13 1 H GLU 69 H GLU 69 -1.134 -34.108 -15.697 2 HA GLU 69 HA GLU 69 0.624 -35.790 -14.012 3 HB2 GLU 69 1HB GLU 69 -1.741 -36.414 -14.272 4 HB3 GLU 69 2HB GLU 69 -1.510 -36.606 -16.015 5 HG2 GLU 69 1HG GLU 69 0.166 -38.368 -15.615 6 HG3 GLU 69 2HG GLU 69 0.088 -38.088 -13.866 No H/Q in entry = 6 Start of MODEL 13 1 H PHE 70 H PHE 70 2.656 -35.357 -14.825 2 HA PHE 70 HA PHE 70 3.149 -35.398 -17.723 3 HB2 PHE 70 1HB PHE 70 5.219 -34.487 -17.245 4 HB3 PHE 70 2HB PHE 70 4.070 -33.621 -16.245 5 HD1 PHE 70 HD1 PHE 70 7.031 -35.757 -16.325 6 HD2 PHE 70 HD2 PHE 70 4.009 -34.137 -13.738 7 HE1 PHE 70 HE1 PHE 70 8.504 -36.146 -14.375 8 HE2 PHE 70 HE2 PHE 70 5.489 -34.559 -11.769 9 HZ PHE 70 HZ PHE 70 7.704 -35.592 -12.086 No H/Q in entry = 9 Start of MODEL 13 1 H THR 71 H THR 71 4.302 -36.948 -18.778 2 HA THR 71 HA THR 71 5.003 -39.444 -17.356 3 HB THR 71 HB THR 71 4.500 -38.919 -20.273 4 HG1 THR 71 HG1 THR 71 2.522 -39.936 -19.709 5 HG23 THR 71 HG21 THR 71 5.882 -40.955 -19.845 6 HG22 THR 71 HG22 THR 71 4.232 -41.390 -20.318 7 HG21 THR 71 HG23 THR 71 4.716 -41.481 -18.613 No H/Q in entry = 7 Start of MODEL 13 1 HA PRO 72 HA PRO 72 9.233 -37.761 -18.460 2 HB2 PRO 72 1HB PRO 72 10.634 -38.578 -16.306 3 HB3 PRO 72 2HB PRO 72 9.507 -37.200 -16.228 4 HG2 PRO 72 1HG PRO 72 8.956 -40.056 -15.372 5 HG3 PRO 72 2HG PRO 72 8.653 -38.548 -14.472 6 HD2 PRO 72 1HD PRO 72 6.727 -39.824 -15.987 7 HD3 PRO 72 2HD PRO 72 6.757 -38.062 -15.755 No H/Q in entry = 7 Start of MODEL 13 1 H THR 73 H THR 73 9.376 -39.158 -20.249 2 HA THR 73 HA THR 73 9.739 -41.985 -20.104 3 HB THR 73 HB THR 73 10.542 -39.956 -22.238 4 HG1 THR 73 HG1 THR 73 8.575 -40.735 -23.151 5 HG22 THR 73 HG21 THR 73 10.467 -41.898 -23.775 6 HG21 THR 73 HG22 THR 73 10.216 -42.989 -22.394 7 HG23 THR 73 HG23 THR 73 11.747 -42.095 -22.566 No H/Q in entry = 7 Start of MODEL 13 1 H GLU 74 H GLU 74 12.150 -39.388 -20.807 2 HA GLU 74 HA GLU 74 14.019 -40.351 -18.885 3 HB2 GLU 74 1HB GLU 74 14.431 -42.127 -20.541 4 HB3 GLU 74 2HB GLU 74 14.646 -40.933 -21.821 5 HG2 GLU 74 1HG GLU 74 16.790 -41.823 -21.013 6 HG3 GLU 74 2HG GLU 74 16.687 -40.089 -20.711 No H/Q in entry = 6 Start of MODEL 13 1 H LYS 75 H LYS 75 14.349 -38.833 -22.130 2 HA LYS 75 HA LYS 75 15.919 -36.660 -20.908 3 HB2 LYS 75 1HB LYS 75 16.720 -38.060 -22.839 4 HB3 LYS 75 2HB LYS 75 15.460 -37.321 -23.837 5 HG2 LYS 75 1HG LYS 75 16.481 -35.060 -23.293 6 HG3 LYS 75 2HG LYS 75 17.753 -35.901 -22.394 7 HD2 LYS 75 1HD LYS 75 18.416 -37.115 -24.443 8 HD3 LYS 75 2HD LYS 75 17.121 -36.319 -25.356 9 HE2 LYS 75 1HE LYS 75 19.444 -34.882 -23.990 10 HE3 LYS 75 2HE LYS 75 19.356 -35.273 -25.717 11 HZ2 LYS 75 1HZ LYS 75 18.683 -33.037 -25.280 12 HZ1 LYS 75 2HZ LYS 75 17.470 -33.541 -24.284 13 HZ3 LYS 75 3HZ LYS 75 17.422 -33.909 -25.890 No H/Q in entry = 13 Start of MODEL 13 1 H ASP 76 H ASP 76 13.512 -36.296 -20.020 2 HA ASP 76 HA ASP 76 11.945 -34.532 -21.804 3 HB2 ASP 76 1HB ASP 76 11.405 -35.701 -19.063 4 HB3 ASP 76 2HB ASP 76 10.298 -34.664 -19.987 No H/Q in entry = 4 Start of MODEL 13 1 H GLU 77 H GLU 77 10.967 -32.569 -20.803 2 HA GLU 77 HA GLU 77 12.534 -31.150 -18.778 3 HB2 GLU 77 1HB GLU 77 12.984 -29.239 -20.278 4 HB3 GLU 77 2HB GLU 77 13.953 -30.674 -20.585 5 HG2 GLU 77 1HG GLU 77 11.555 -29.838 -22.287 6 HG3 GLU 77 2HG GLU 77 13.239 -29.469 -22.629 No H/Q in entry = 6 Start of MODEL 13 1 H TYR 78 H TYR 78 10.709 -31.089 -17.553 2 HA TYR 78 HA TYR 78 8.270 -29.775 -18.564 3 HB2 TYR 78 1HB TYR 78 8.944 -30.967 -15.852 4 HB3 TYR 78 2HB TYR 78 7.361 -30.399 -16.375 5 HD1 TYR 78 HD1 TYR 78 9.742 -33.165 -16.493 6 HD2 TYR 78 HD2 TYR 78 6.238 -31.515 -18.368 7 HE1 TYR 78 HE1 TYR 78 9.411 -35.280 -17.724 8 HE2 TYR 78 HE2 TYR 78 6.004 -33.609 -19.715 9 HH TYR 78 HH TYR 78 8.186 -36.372 -19.399 No H/Q in entry = 9 Start of MODEL 13 1 H ALA 79 H ALA 79 7.522 -27.766 -17.827 2 HA ALA 79 HA ALA 79 9.110 -26.222 -15.908 3 HB3 ALA 79 1HB ALA 79 9.023 -25.515 -18.880 4 HB2 ALA 79 2HB ALA 79 9.620 -24.454 -17.590 5 HB1 ALA 79 3HB ALA 79 10.463 -25.975 -17.946 No H/Q in entry = 5 Start of MODEL 13 1 H CYS 80 H CYS 80 7.691 -25.124 -14.727 2 HA CYS 80 HA CYS 80 5.099 -24.277 -15.816 3 HB2 CYS 80 1HB CYS 80 6.341 -24.223 -13.077 4 HB3 CYS 80 2HB CYS 80 4.872 -23.313 -13.463 No H/Q in entry = 4 Start of MODEL 13 1 H ARG 81 H ARG 81 4.801 -22.425 -16.786 2 HA ARG 81 HA ARG 81 6.947 -20.427 -17.005 3 HB2 ARG 81 1HB ARG 81 6.095 -21.403 -19.017 4 HB3 ARG 81 2HB ARG 81 4.425 -21.003 -18.593 5 HG2 ARG 81 1HG ARG 81 4.735 -18.699 -18.959 6 HG3 ARG 81 2HG ARG 81 6.498 -18.823 -18.826 7 HD2 ARG 81 1HD ARG 81 5.864 -18.466 -21.158 8 HD3 ARG 81 2HD ARG 81 6.592 -20.057 -20.952 9 HE ARG 81 HE ARG 81 4.615 -21.096 -21.477 10 HH12 ARG 81 HH11 ARG 81 2.355 -17.735 -21.761 11 HH11 ARG 81 HH12 ARG 81 3.921 -17.632 -20.996 12 HH21 ARG 81 HH21 ARG 81 2.590 -21.174 -22.506 13 HH22 ARG 81 HH22 ARG 81 1.608 -19.734 -22.627 No H/Q in entry = 13 Start of MODEL 13 1 H VAL 82 H VAL 82 6.695 -19.354 -14.987 2 HA VAL 82 HA VAL 82 3.997 -18.713 -14.031 3 HB VAL 82 HB VAL 82 6.719 -18.358 -12.718 4 HG13 VAL 82 HG11 VAL 82 4.959 -16.875 -11.769 5 HG11 VAL 82 HG12 VAL 82 3.878 -18.278 -11.615 6 HG12 VAL 82 HG13 VAL 82 5.367 -18.191 -10.652 7 HG23 VAL 82 HG21 VAL 82 6.025 -20.362 -11.402 8 HG21 VAL 82 HG22 VAL 82 4.609 -20.548 -12.454 9 HG22 VAL 82 HG23 VAL 82 6.245 -20.743 -13.114 No H/Q in entry = 9 Start of MODEL 13 1 H ASN 83 H ASN 83 3.222 -17.091 -15.299 2 HA ASN 83 HA ASN 83 4.755 -14.544 -15.536 3 HB2 ASN 83 1HB ASN 83 2.252 -15.497 -16.978 4 HB3 ASN 83 2HB ASN 83 3.119 -13.984 -17.258 5 HD21 ASN 83 HD21 ASN 83 2.983 -14.910 -19.520 6 HD22 ASN 83 HD22 ASN 83 4.282 -15.964 -20.037 No H/Q in entry = 6 Start of MODEL 13 1 H HIS 84 H HIS 84 3.875 -12.681 -14.577 2 HA HIS 84 HA HIS 84 1.307 -12.802 -13.156 3 HB2 HIS 84 1HB HIS 84 2.978 -13.944 -11.652 4 HB3 HIS 84 2HB HIS 84 3.965 -12.483 -11.699 5 HD2 HIS 84 HD2 HIS 84 0.091 -12.948 -10.812 6 HE1 HIS 84 HE1 HIS 84 2.020 -10.702 -7.798 7 HE2 HIS 84 HE2 HIS 84 -0.224 -11.666 -8.564 No H/Q in entry = 7 Start of MODEL 13 1 H VAL 85 H VAL 85 0.837 -10.699 -12.108 2 HA VAL 85 HA VAL 85 1.236 -8.530 -13.843 3 HB VAL 85 HB VAL 85 0.323 -8.571 -10.953 4 HG11 VAL 85 HG11 VAL 85 0.026 -6.404 -13.076 5 HG12 VAL 85 HG12 VAL 85 -0.794 -6.423 -11.500 6 HG13 VAL 85 HG13 VAL 85 0.963 -6.276 -11.568 7 HG23 VAL 85 HG21 VAL 85 -1.945 -8.438 -11.990 8 HG21 VAL 85 HG22 VAL 85 -1.206 -8.661 -13.587 9 HG22 VAL 85 HG23 VAL 85 -1.110 -9.950 -12.365 No H/Q in entry = 9 Start of MODEL 13 1 H THR 86 H THR 86 3.147 -9.544 -10.977 2 HA THR 86 HA THR 86 4.646 -7.067 -10.836 3 HB THR 86 HB THR 86 6.100 -8.311 -9.300 4 HG1 THR 86 HG1 THR 86 4.409 -10.512 -9.847 5 HG23 THR 86 HG21 THR 86 4.134 -7.253 -8.388 6 HG22 THR 86 HG22 THR 86 4.404 -8.797 -7.551 7 HG21 THR 86 HG23 THR 86 3.117 -8.657 -8.766 No H/Q in entry = 7 Start of MODEL 13 1 H LEU 87 H LEU 87 5.187 -10.324 -12.247 2 HA LEU 87 HA LEU 87 7.919 -9.759 -12.958 3 HB2 LEU 87 1HB LEU 87 6.097 -11.993 -13.907 4 HB3 LEU 87 2HB LEU 87 7.854 -11.961 -14.009 5 HG LEU 87 HG LEU 87 6.313 -11.942 -11.367 6 HD11 LEU 87 HD11 LEU 87 7.648 -14.230 -12.852 7 HD13 LEU 87 HD12 LEU 87 5.904 -14.017 -12.589 8 HD12 LEU 87 HD13 LEU 87 6.979 -14.307 -11.210 9 HD21 LEU 87 HD21 LEU 87 9.266 -12.373 -12.012 10 HD23 LEU 87 HD22 LEU 87 8.517 -12.574 -10.415 11 HD22 LEU 87 HD23 LEU 87 8.575 -10.974 -11.159 No H/Q in entry = 11 Start of MODEL 13 1 H SER 88 H SER 88 8.703 -8.852 -14.749 2 HA SER 88 HA SER 88 6.990 -7.977 -16.938 3 HB2 SER 88 1HB SER 88 8.861 -6.601 -16.162 4 HB3 SER 88 2HB SER 88 10.016 -7.896 -16.542 5 HG SER 88 HG SER 88 9.836 -6.315 -18.197 No H/Q in entry = 5 Start of MODEL 13 1 H GLN 89 H GLN 89 9.602 -10.378 -16.435 2 HA GLN 89 HA GLN 89 9.289 -11.437 -19.151 3 HB2 GLN 89 1HB GLN 89 11.275 -12.765 -18.622 4 HB3 GLN 89 2HB GLN 89 11.526 -11.040 -18.339 5 HG2 GLN 89 1HG GLN 89 11.239 -11.415 -15.885 6 HG3 GLN 89 2HG GLN 89 10.950 -13.135 -16.187 7 HE21 GLN 89 HE21 GLN 89 13.381 -10.537 -16.788 8 HE22 GLN 89 HE22 GLN 89 14.774 -11.583 -16.621 No H/Q in entry = 8 Start of MODEL 13 1 HA PRO 90 HA PRO 90 6.995 -15.022 -17.636 2 HB2 PRO 90 1HB PRO 90 7.502 -16.868 -19.599 3 HB3 PRO 90 2HB PRO 90 6.471 -15.437 -19.879 4 HG2 PRO 90 1HG PRO 90 9.395 -15.753 -20.580 5 HG3 PRO 90 2HG PRO 90 8.072 -15.154 -21.613 6 HD2 PRO 90 1HD PRO 90 9.733 -13.470 -20.252 7 HD3 PRO 90 2HD PRO 90 8.004 -13.082 -20.485 No H/Q in entry = 7 Start of MODEL 13 1 H LYS 91 H LYS 91 7.744 -16.196 -15.884 2 HA LYS 91 HA LYS 91 10.640 -16.695 -15.738 3 HB2 LYS 91 1HB LYS 91 9.227 -15.542 -13.973 4 HB3 LYS 91 2HB LYS 91 8.618 -17.136 -13.527 5 HG2 LYS 91 1HG LYS 91 11.541 -16.225 -13.576 6 HG3 LYS 91 2HG LYS 91 10.515 -16.358 -12.142 7 HD2 LYS 91 1HD LYS 91 10.303 -18.809 -12.536 8 HD3 LYS 91 2HD LYS 91 11.438 -18.669 -13.900 9 HE2 LYS 91 1HE LYS 91 13.179 -17.786 -12.419 10 HE3 LYS 91 2HE LYS 91 12.089 -17.922 -11.029 11 HZ1 LYS 91 1HZ LYS 91 12.001 -20.281 -11.423 12 HZ3 LYS 91 2HZ LYS 91 13.555 -19.783 -11.190 13 HZ2 LYS 91 3HZ LYS 91 13.023 -20.141 -12.709 No H/Q in entry = 13 Start of MODEL 13 1 H ILE 92 H ILE 92 11.029 -18.439 -17.031 2 HA ILE 92 HA ILE 92 9.493 -20.892 -17.004 3 HB ILE 92 HB ILE 92 12.338 -20.375 -17.959 4 HG13 ILE 92 HG12 ILE 92 11.435 -20.103 -20.209 5 HG23 ILE 92 HG21 ILE 92 11.840 -22.758 -17.710 6 HG21 ILE 92 HG22 ILE 92 10.348 -22.569 -18.648 7 HG22 ILE 92 HG23 ILE 92 11.927 -22.329 -19.424 8 HD11 ILE 92 HD11 ILE 92 8.692 -19.867 -18.896 9 HD12 ILE 92 HD12 ILE 92 9.096 -19.486 -20.577 10 HD13 ILE 92 HD13 ILE 92 9.197 -21.159 -20.012 11 HG12 ILE 92 HG11 ILE 92 10.936 -18.808 -19.132 No H/Q in entry = 11 Start of MODEL 13 1 H VAL 93 H VAL 93 9.342 -21.873 -15.027 2 HA VAL 93 HA VAL 93 11.647 -22.089 -13.237 3 HB VAL 93 HB VAL 93 8.930 -23.465 -13.082 4 HG11 VAL 93 HG11 VAL 93 11.286 -23.133 -11.166 5 HG12 VAL 93 HG12 VAL 93 9.669 -23.544 -10.607 6 HG13 VAL 93 HG13 VAL 93 10.509 -24.643 -11.698 7 HG22 VAL 93 HG21 VAL 93 8.302 -21.758 -11.473 8 HG23 VAL 93 HG22 VAL 93 9.876 -20.954 -11.650 9 HG21 VAL 93 HG23 VAL 93 8.715 -20.961 -12.994 No H/Q in entry = 9 Start of MODEL 13 1 H LYS 94 H LYS 94 12.765 -24.017 -12.837 2 HA LYS 94 HA LYS 94 12.493 -26.200 -14.871 3 HB2 LYS 94 1HB LYS 94 14.864 -25.260 -13.214 4 HB3 LYS 94 2HB LYS 94 14.812 -26.719 -14.228 5 HG2 LYS 94 1HG LYS 94 14.370 -25.352 -16.230 6 HG3 LYS 94 2HG LYS 94 14.299 -23.883 -15.254 7 HD2 LYS 94 1HD LYS 94 16.461 -24.115 -16.422 8 HD3 LYS 94 2HD LYS 94 16.623 -24.013 -14.664 9 HE2 LYS 94 1HE LYS 94 18.153 -25.678 -15.670 10 HE3 LYS 94 2HE LYS 94 17.056 -26.411 -14.499 11 HZ3 LYS 94 1HZ LYS 94 15.716 -27.174 -16.322 12 HZ2 LYS 94 2HZ LYS 94 17.266 -27.704 -16.495 13 HZ1 LYS 94 3HZ LYS 94 16.714 -26.454 -17.419 No H/Q in entry = 13 Start of MODEL 13 1 H TRP 95 H TRP 95 11.122 -27.662 -13.963 2 HA TRP 95 HA TRP 95 10.892 -28.328 -11.210 3 HB2 TRP 95 1HB TRP 95 9.188 -29.090 -12.765 4 HB3 TRP 95 2HB TRP 95 10.389 -29.835 -13.789 5 HD1 TRP 95 HD1 TRP 95 9.373 -30.379 -10.049 6 HE1 TRP 95 HE1 TRP 95 9.398 -32.893 -9.575 7 HE3 TRP 95 HE3 TRP 95 10.832 -32.023 -14.634 8 HZ2 TRP 95 HZ2 TRP 95 10.046 -35.324 -10.998 9 HZ3 TRP 95 HZ3 TRP 95 11.291 -34.451 -15.017 10 HH2 TRP 95 HH2 TRP 95 10.915 -36.090 -13.193 No H/Q in entry = 10 Start of MODEL 13 1 H ASP 96 H ASP 96 12.457 -29.183 -9.967 2 HA ASP 96 HA ASP 96 14.604 -30.879 -11.127 3 HB2 ASP 96 1HB ASP 96 15.269 -29.059 -9.607 4 HB3 ASP 96 2HB ASP 96 14.226 -29.728 -8.343 No H/Q in entry = 4 Start of MODEL 13 1 H ARG 97 H ARG 97 14.504 -33.054 -10.914 2 HA ARG 97 HA ARG 97 12.127 -34.295 -9.984 3 HB2 ARG 97 1HB ARG 97 12.991 -36.313 -10.723 4 HB3 ARG 97 2HB ARG 97 13.606 -35.108 -11.852 5 HG2 ARG 97 1HG ARG 97 15.161 -36.436 -9.576 6 HG3 ARG 97 2HG ARG 97 15.268 -36.823 -11.294 7 HD2 ARG 97 1HD ARG 97 16.108 -34.527 -11.767 8 HD3 ARG 97 2HD ARG 97 16.068 -34.185 -10.022 9 HE ARG 97 HE ARG 97 17.584 -36.557 -10.641 10 HH12 ARG 97 HH11 ARG 97 19.480 -32.993 -10.166 11 HH11 ARG 97 HH12 ARG 97 17.747 -33.004 -10.363 12 HH21 ARG 97 HH21 ARG 97 19.846 -36.495 -10.347 13 HH22 ARG 97 HH22 ARG 97 20.669 -34.967 -10.136 No H/Q in entry = 13 Start of MODEL 13 1 H ASP 98 H ASP 98 15.134 -33.560 -8.333 2 HA ASP 98 HA ASP 98 14.610 -35.394 -6.107 3 HB2 ASP 98 1HB ASP 98 16.619 -33.120 -6.388 4 HB3 ASP 98 2HB ASP 98 16.572 -34.333 -5.105 No H/Q in entry = 4 Start of MODEL 13 1 H MET 99 H MET 99 14.759 -31.825 -6.577 2 HA MET 99 HA MET 99 13.261 -31.376 -4.077 3 HB2 MET 99 1HB MET 99 14.558 -29.443 -6.036 4 HB3 MET 99 2HB MET 99 13.815 -29.024 -4.485 5 HG2 MET 99 1HG MET 99 15.477 -30.381 -3.290 6 HG3 MET 99 2HG MET 99 16.172 -30.935 -4.811 7 HE3 MET 99 1HE MET 99 15.121 -27.285 -3.524 8 HE1 MET 99 2HE MET 99 15.951 -28.128 -2.192 9 HE2 MET 99 3HE MET 99 16.730 -26.746 -2.995 No H/Q in entry = 9 Start of MODEL 14 1 H1 MET 0 2H MET 0 -3.745 -4.309 0.867 2 H2 MET 0 3H MET 0 -3.378 -2.725 1.139 3 H3 MET 0 1H MET 0 -4.682 -3.122 0.206 4 HA MET 0 HA MET 0 -3.298 -4.103 -1.428 5 HB2 MET 0 1HB MET 0 -3.932 -1.774 -1.704 6 HB3 MET 0 2HB MET 0 -2.563 -1.237 -0.715 7 HG2 MET 0 1HG MET 0 -0.977 -2.075 -2.377 8 HG3 MET 0 2HG MET 0 -2.293 -2.788 -3.324 9 HE1 MET 0 1HE MET 0 -1.037 -1.585 -5.402 10 HE2 MET 0 2HE MET 0 -0.787 0.174 -5.495 11 HE3 MET 0 3HE MET 0 0.119 -0.789 -4.307 No H/Q in entry = 11 Start of MODEL 14 1 H ILE 1 H ILE 1 -1.433 -5.112 -1.918 2 HA ILE 1 HA ILE 1 1.107 -4.326 -0.820 3 HB ILE 1 HB ILE 1 0.243 -5.701 1.046 4 HG13 ILE 1 HG12 ILE 1 2.642 -5.573 0.523 5 HG22 ILE 1 HG21 ILE 1 0.246 -8.074 -0.856 6 HG23 ILE 1 HG22 ILE 1 -0.241 -8.048 0.847 7 HG21 ILE 1 HG23 ILE 1 -1.229 -7.218 -0.352 8 HD13 ILE 1 HD11 ILE 1 3.416 -7.484 1.761 9 HD11 ILE 1 HD12 ILE 1 1.868 -6.971 2.464 10 HD12 ILE 1 HD13 ILE 1 1.947 -8.403 1.406 11 HG12 ILE 1 HG11 ILE 1 2.518 -7.003 -0.513 No H/Q in entry = 11 Start of MODEL 14 1 H GLN 2 H GLN 2 2.675 -4.807 -2.281 2 HA GLN 2 HA GLN 2 1.812 -6.075 -4.795 3 HB2 GLN 2 1HB GLN 2 2.769 -3.762 -4.643 4 HB3 GLN 2 2HB GLN 2 4.305 -4.461 -4.132 5 HG2 GLN 2 1HG GLN 2 4.384 -3.983 -6.508 6 HG3 GLN 2 2HG GLN 2 4.384 -5.734 -6.307 7 HE21 GLN 2 HE21 GLN 2 2.282 -2.906 -7.014 8 HE22 GLN 2 HE22 GLN 2 1.105 -3.788 -7.965 No H/Q in entry = 8 Start of MODEL 14 1 H ARG 3 H ARG 3 1.877 -8.193 -3.444 2 HA ARG 3 HA ARG 3 4.578 -9.139 -2.821 3 HB2 ARG 3 1HB ARG 3 2.539 -9.297 -1.258 4 HB3 ARG 3 2HB ARG 3 1.967 -10.584 -2.323 5 HG2 ARG 3 1HG ARG 3 3.103 -11.683 -0.557 6 HG3 ARG 3 2HG ARG 3 4.238 -11.726 -1.905 7 HD2 ARG 3 1HD ARG 3 5.239 -9.532 -0.792 8 HD3 ARG 3 2HD ARG 3 4.225 -9.955 0.579 9 HE ARG 3 HE ARG 3 5.710 -11.599 1.160 10 HH12 ARG 3 HH11 ARG 3 7.727 -11.688 -2.375 11 HH11 ARG 3 HH12 ARG 3 6.301 -10.695 -2.213 12 HH21 ARG 3 HH21 ARG 3 7.650 -12.834 0.972 13 HH22 ARG 3 HH22 ARG 3 8.519 -12.864 -0.545 No H/Q in entry = 13 Start of MODEL 14 1 H THR 4 H THR 4 5.613 -10.816 -3.737 2 HA THR 4 HA THR 4 4.811 -11.652 -6.420 3 HB THR 4 HB THR 4 7.209 -12.438 -6.475 4 HG1 THR 4 HG1 THR 4 8.500 -11.858 -4.710 5 HG22 THR 4 HG21 THR 4 6.873 -9.566 -5.503 6 HG21 THR 4 HG22 THR 4 6.665 -10.136 -7.174 7 HG23 THR 4 HG23 THR 4 8.255 -10.231 -6.396 No H/Q in entry = 7 Start of MODEL 14 1 HA PRO 5 HA PRO 5 3.874 -15.821 -5.158 2 HB2 PRO 5 1HB PRO 5 4.466 -17.319 -7.360 3 HB3 PRO 5 2HB PRO 5 3.142 -16.123 -7.342 4 HG2 PRO 5 1HG PRO 5 5.964 -15.717 -8.366 5 HG3 PRO 5 2HG PRO 5 4.428 -15.347 -9.206 6 HD2 PRO 5 1HD PRO 5 5.807 -13.436 -7.870 7 HD3 PRO 5 2HD PRO 5 4.026 -13.473 -7.804 No H/Q in entry = 7 Start of MODEL 14 1 H LYS 6 H LYS 6 4.814 -17.390 -3.973 2 HA LYS 6 HA LYS 6 7.729 -17.807 -3.995 3 HB2 LYS 6 1HB LYS 6 6.478 -17.642 -1.860 4 HB3 LYS 6 2HB LYS 6 5.533 -19.068 -2.321 5 HG2 LYS 6 1HG LYS 6 7.706 -20.366 -2.499 6 HG3 LYS 6 2HG LYS 6 8.555 -18.923 -1.911 7 HD2 LYS 6 1HD LYS 6 7.185 -19.049 0.193 8 HD3 LYS 6 2HD LYS 6 6.409 -20.519 -0.438 9 HE2 LYS 6 1HE LYS 6 8.696 -21.571 -0.641 10 HE3 LYS 6 2HE LYS 6 9.386 -20.135 0.127 11 HZ3 LYS 6 1HZ LYS 6 9.021 -21.882 1.688 12 HZ2 LYS 6 2HZ LYS 6 7.414 -21.945 1.332 13 HZ1 LYS 6 3HZ LYS 6 8.048 -20.602 2.050 No H/Q in entry = 13 Start of MODEL 14 1 H ILE 7 H ILE 7 8.393 -19.075 -5.694 2 HA ILE 7 HA ILE 7 6.736 -21.060 -6.945 3 HB ILE 7 HB ILE 7 8.811 -21.670 -8.166 4 HG13 ILE 7 HG12 ILE 7 10.474 -21.090 -6.377 5 HG23 ILE 7 HG21 ILE 7 8.866 -19.537 -9.439 6 HG21 ILE 7 HG22 ILE 7 7.227 -20.006 -8.983 7 HG22 ILE 7 HG23 ILE 7 8.063 -18.715 -8.094 8 HD13 ILE 7 HD11 ILE 7 12.190 -20.210 -7.759 9 HD11 ILE 7 HD12 ILE 7 11.200 -21.301 -8.742 10 HD12 ILE 7 HD13 ILE 7 11.036 -19.535 -8.915 11 HG12 ILE 7 HG11 ILE 7 10.136 -19.374 -6.639 No H/Q in entry = 11 Start of MODEL 14 1 H GLN 8 H GLN 8 6.542 -23.182 -6.627 2 HA GLN 8 HA GLN 8 8.576 -24.760 -5.238 3 HB2 GLN 8 1HB GLN 8 5.726 -24.530 -4.176 4 HB3 GLN 8 2HB GLN 8 6.845 -25.851 -3.794 5 HG2 GLN 8 1HG GLN 8 8.445 -24.115 -2.885 6 HG3 GLN 8 2HG GLN 8 7.130 -22.928 -3.029 7 HE21 GLN 8 HE21 GLN 8 8.399 -23.638 -0.561 8 HE22 GLN 8 HE22 GLN 8 7.197 -24.413 0.452 No H/Q in entry = 8 Start of MODEL 14 1 H VAL 9 H VAL 9 8.709 -25.362 -7.533 2 HA VAL 9 HA VAL 9 6.486 -26.957 -8.646 3 HB VAL 9 HB VAL 9 9.247 -26.417 -9.710 4 HG11 VAL 9 HG11 VAL 9 8.180 -28.427 -10.728 5 HG12 VAL 9 HG12 VAL 9 6.730 -27.468 -11.080 6 HG13 VAL 9 HG13 VAL 9 8.266 -27.103 -11.893 7 HG21 VAL 9 HG21 VAL 9 6.605 -25.051 -10.380 8 HG22 VAL 9 HG22 VAL 9 7.985 -24.295 -9.550 9 HG23 VAL 9 HG23 VAL 9 8.142 -24.820 -11.235 No H/Q in entry = 9 Start of MODEL 14 1 H TYR 10 H TYR 10 6.521 -28.499 -6.901 2 HA TYR 10 HA TYR 10 8.757 -30.468 -6.922 3 HB2 TYR 10 1HB TYR 10 7.777 -31.452 -5.032 4 HB3 TYR 10 2HB TYR 10 8.027 -29.737 -4.789 5 HD1 TYR 10 HD1 TYR 10 6.086 -28.202 -4.559 6 HD2 TYR 10 HD2 TYR 10 5.560 -32.451 -5.023 7 HE1 TYR 10 HE1 TYR 10 3.765 -28.010 -3.725 8 HE2 TYR 10 HE2 TYR 10 3.212 -32.247 -4.267 9 HH TYR 10 HH TYR 10 1.795 -29.103 -3.281 No H/Q in entry = 9 Start of MODEL 14 1 H SER 11 H SER 11 8.372 -32.675 -7.439 2 HA SER 11 HA SER 11 5.911 -33.389 -8.915 3 HB2 SER 11 1HB SER 11 7.136 -35.613 -9.047 4 HB3 SER 11 2HB SER 11 7.735 -34.240 -9.979 5 HG SER 11 HG SER 11 9.407 -35.353 -8.841 No H/Q in entry = 5 Start of MODEL 14 1 H ARG 12 H ARG 12 4.214 -34.275 -7.821 2 HA ARG 12 HA ARG 12 4.237 -34.885 -5.034 3 HB2 ARG 12 1HB ARG 12 2.215 -34.222 -6.207 4 HB3 ARG 12 2HB ARG 12 2.319 -35.631 -7.275 5 HG2 ARG 12 1HG ARG 12 0.621 -36.042 -5.655 6 HG3 ARG 12 2HG ARG 12 1.969 -37.103 -5.257 7 HD2 ARG 12 1HD ARG 12 2.686 -35.449 -3.482 8 HD3 ARG 12 2HD ARG 12 1.312 -34.431 -3.932 9 HE ARG 12 HE ARG 12 -0.086 -35.776 -2.741 10 HH12 ARG 12 HH11 ARG 12 2.432 -38.938 -2.303 11 HH11 ARG 12 HH12 ARG 12 2.937 -37.592 -3.292 12 HH21 ARG 12 HH21 ARG 12 -0.707 -37.555 -1.469 13 HH22 ARG 12 HH22 ARG 12 0.365 -38.921 -1.267 No H/Q in entry = 13 Start of MODEL 14 1 H HIS 13 H HIS 13 4.467 -36.900 -7.976 2 HA HIS 13 HA HIS 13 4.756 -39.396 -6.445 3 HB2 HIS 13 1HB HIS 13 4.728 -38.739 -9.414 4 HB3 HIS 13 2HB HIS 13 4.834 -40.371 -8.769 5 HD1 HIS 13 HD1 HIS 13 2.441 -38.278 -6.855 6 HD2 HIS 13 HD2 HIS 13 2.343 -40.689 -10.278 7 HE1 HIS 13 HE1 HIS 13 0.003 -38.717 -7.402 No H/Q in entry = 7 Start of MODEL 14 1 HA PRO 14 HA PRO 14 9.270 -39.364 -7.059 2 HB2 PRO 14 1HB PRO 14 9.890 -42.000 -6.987 3 HB3 PRO 14 2HB PRO 14 9.267 -41.141 -5.558 4 HG2 PRO 14 1HG PRO 14 7.662 -42.807 -7.510 5 HG3 PRO 14 2HG PRO 14 7.690 -42.944 -5.731 6 HD2 PRO 14 1HD PRO 14 5.779 -41.518 -7.051 7 HD3 PRO 14 2HD PRO 14 6.426 -40.955 -5.484 No H/Q in entry = 7 Start of MODEL 14 1 H ALA 15 H ALA 15 10.733 -39.578 -8.813 2 HA ALA 15 HA ALA 15 9.314 -39.718 -11.394 3 HB2 ALA 15 1HB ALA 15 11.985 -38.482 -10.642 4 HB3 ALA 15 2HB ALA 15 11.114 -38.313 -12.183 5 HB1 ALA 15 3HB ALA 15 10.416 -37.654 -10.690 No H/Q in entry = 5 Start of MODEL 14 1 H GLU 16 H GLU 16 9.331 -42.066 -11.626 2 HA GLU 16 HA GLU 16 11.921 -43.338 -12.281 3 HB2 GLU 16 1HB GLU 16 9.058 -44.333 -12.278 4 HB3 GLU 16 2HB GLU 16 10.439 -45.292 -12.816 5 HG2 GLU 16 1HG GLU 16 9.999 -45.944 -10.576 6 HG3 GLU 16 2HG GLU 16 11.507 -45.022 -10.578 No H/Q in entry = 6 Start of MODEL 14 1 H ASN 17 H ASN 17 12.216 -44.388 -14.351 2 HA ASN 17 HA ASN 17 11.511 -42.738 -16.628 3 HB2 ASN 17 1HB ASN 17 13.733 -43.806 -16.252 4 HB3 ASN 17 2HB ASN 17 12.998 -45.393 -16.500 5 HD21 ASN 17 HD21 ASN 17 14.609 -42.820 -18.016 6 HD22 ASN 17 HD22 ASN 17 14.243 -43.233 -19.675 No H/Q in entry = 6 Start of MODEL 14 1 H GLY 18 H GLY 18 9.585 -42.915 -17.605 2 HA3 GLY 18 1HA GLY 18 7.843 -43.784 -18.770 3 HA2 GLY 18 2HA GLY 18 8.549 -45.399 -18.622 No H/Q in entry = 3 Start of MODEL 14 1 H LYS 19 H LYS 19 7.123 -42.915 -16.411 2 HA LYS 19 HA LYS 19 4.797 -44.511 -15.895 3 HB2 LYS 19 1HB LYS 19 6.376 -45.673 -14.341 4 HB3 LYS 19 2HB LYS 19 6.741 -44.107 -13.590 5 HG2 LYS 19 1HG LYS 19 4.402 -43.885 -12.850 6 HG3 LYS 19 2HG LYS 19 3.954 -45.339 -13.755 7 HD2 LYS 19 1HD LYS 19 4.127 -45.810 -11.372 8 HD3 LYS 19 2HD LYS 19 5.361 -46.720 -12.266 9 HE2 LYS 19 1HE LYS 19 7.080 -45.126 -11.599 10 HE3 LYS 19 2HE LYS 19 5.875 -44.061 -10.844 11 HZ1 LYS 19 1HZ LYS 19 6.532 -46.794 -10.006 12 HZ3 LYS 19 2HZ LYS 19 5.452 -45.785 -9.268 13 HZ2 LYS 19 3HZ LYS 19 7.061 -45.404 -9.289 No H/Q in entry = 13 Start of MODEL 14 1 H SER 20 H SER 20 3.164 -43.119 -15.399 2 HA SER 20 HA SER 20 3.501 -40.397 -15.803 3 HB2 SER 20 1HB SER 20 1.155 -40.164 -15.079 4 HB3 SER 20 2HB SER 20 1.386 -41.535 -16.181 5 HG SER 20 HG SER 20 0.095 -42.017 -14.326 No H/Q in entry = 5 Start of MODEL 14 1 H ASN 21 H ASN 21 3.475 -38.571 -14.549 2 HA ASN 21 HA ASN 21 3.852 -38.754 -11.628 3 HB2 ASN 21 1HB ASN 21 6.062 -39.141 -12.744 4 HB3 ASN 21 2HB ASN 21 5.896 -37.588 -13.569 5 HD21 ASN 21 HD21 ASN 21 7.278 -39.085 -10.879 6 HD22 ASN 21 HD22 ASN 21 7.469 -37.683 -9.856 No H/Q in entry = 6 Start of MODEL 14 1 H PHE 22 H PHE 22 3.069 -36.957 -10.634 2 HA PHE 22 HA PHE 22 1.700 -34.942 -12.310 3 HB2 PHE 22 1HB PHE 22 1.481 -35.846 -9.430 4 HB3 PHE 22 2HB PHE 22 0.683 -34.405 -10.050 5 HD1 PHE 22 HD1 PHE 22 1.026 -38.007 -11.292 6 HD2 PHE 22 HD2 PHE 22 -1.591 -34.745 -10.219 7 HE1 PHE 22 HE1 PHE 22 -0.921 -39.348 -11.954 8 HE2 PHE 22 HE2 PHE 22 -3.543 -36.099 -10.912 9 HZ PHE 22 HZ PHE 22 -3.210 -38.395 -11.810 No H/Q in entry = 9 Start of MODEL 14 1 H LEU 23 H LEU 23 2.857 -33.085 -12.718 2 HA LEU 23 HA LEU 23 4.861 -32.010 -10.900 3 HB2 LEU 23 1HB LEU 23 4.480 -31.579 -13.546 4 HB3 LEU 23 2HB LEU 23 3.395 -30.337 -12.940 5 HG LEU 23 HG LEU 23 5.391 -29.468 -11.571 6 HD12 LEU 23 HD11 LEU 23 6.925 -31.238 -13.543 7 HD11 LEU 23 HD12 LEU 23 6.857 -31.503 -11.787 8 HD13 LEU 23 HD13 LEU 23 7.615 -30.045 -12.435 9 HD22 LEU 23 HD21 LEU 23 4.571 -28.334 -13.570 10 HD21 LEU 23 HD22 LEU 23 5.490 -29.438 -14.618 11 HD23 LEU 23 HD23 LEU 23 6.340 -28.299 -13.553 No H/Q in entry = 11 Start of MODEL 14 1 H ASN 24 H ASN 24 4.507 -30.129 -9.495 2 HA ASN 24 HA ASN 24 1.686 -29.269 -9.045 3 HB2 ASN 24 1HB ASN 24 3.543 -30.644 -7.074 4 HB3 ASN 24 2HB ASN 24 2.304 -29.520 -6.557 5 HD21 ASN 24 HD21 ASN 24 2.801 -32.564 -8.431 6 HD22 ASN 24 HD22 ASN 24 1.216 -33.222 -8.089 No H/Q in entry = 6 Start of MODEL 14 1 H CYS 25 H CYS 25 2.141 -27.243 -9.834 2 HA CYS 25 HA CYS 25 4.407 -25.685 -8.785 3 HB2 CYS 25 1HB CYS 25 2.168 -24.756 -10.595 4 HB3 CYS 25 2HB CYS 25 3.739 -24.010 -10.345 No H/Q in entry = 4 Start of MODEL 14 1 H TYR 26 H TYR 26 3.795 -25.728 -6.510 2 HA TYR 26 HA TYR 26 1.243 -24.575 -5.671 3 HB2 TYR 26 1HB TYR 26 2.233 -26.408 -4.460 4 HB3 TYR 26 2HB TYR 26 3.677 -25.476 -4.113 5 HD1 TYR 26 HD1 TYR 26 3.668 -23.745 -2.351 6 HD2 TYR 26 HD2 TYR 26 0.075 -25.915 -3.327 7 HE1 TYR 26 HE1 TYR 26 2.675 -23.086 -0.183 8 HE2 TYR 26 HE2 TYR 26 -0.832 -25.414 -1.085 9 HH TYR 26 HH TYR 26 0.819 -23.185 1.183 No H/Q in entry = 9 Start of MODEL 14 1 H VAL 27 H VAL 27 1.188 -22.486 -6.427 2 HA VAL 27 HA VAL 27 3.361 -20.592 -5.776 3 HB VAL 27 HB VAL 27 1.937 -19.037 -7.137 4 HG11 VAL 27 HG11 VAL 27 3.994 -20.097 -7.957 5 HG12 VAL 27 HG12 VAL 27 3.075 -21.535 -8.454 6 HG13 VAL 27 HG13 VAL 27 2.791 -19.974 -9.251 7 HG21 VAL 27 HG21 VAL 27 -0.199 -20.515 -7.047 8 HG22 VAL 27 HG22 VAL 27 0.280 -19.878 -8.614 9 HG23 VAL 27 HG23 VAL 27 0.625 -21.567 -8.207 No H/Q in entry = 9 Start of MODEL 14 1 H SER 28 H SER 28 3.071 -20.486 -3.448 2 HA SER 28 HA SER 28 0.595 -19.176 -2.478 3 HB2 SER 28 1HB SER 28 1.701 -19.325 -0.284 4 HB3 SER 28 2HB SER 28 1.686 -20.896 -1.101 5 HG SER 28 HG SER 28 3.825 -20.565 -1.697 No H/Q in entry = 5 Start of MODEL 14 1 H GLY 29 H GLY 29 1.171 -17.236 -0.880 2 HA3 GLY 29 1HA GLY 29 2.452 -15.405 -0.309 3 HA2 GLY 29 2HA GLY 29 3.502 -15.656 -1.691 No H/Q in entry = 3 Start of MODEL 14 1 H PHE 30 H PHE 30 1.793 -15.500 -3.881 2 HA PHE 30 HA PHE 30 2.025 -12.739 -4.086 3 HB2 PHE 30 1HB PHE 30 1.397 -12.951 -6.361 4 HB3 PHE 30 2HB PHE 30 2.357 -14.346 -5.930 5 HD1 PHE 30 HD1 PHE 30 1.272 -16.618 -5.689 6 HD2 PHE 30 HD2 PHE 30 -0.920 -13.148 -7.025 7 HE1 PHE 30 HE1 PHE 30 -0.634 -18.058 -6.418 8 HE2 PHE 30 HE2 PHE 30 -2.768 -14.613 -7.767 9 HZ PHE 30 HZ PHE 30 -2.693 -17.045 -7.258 No H/Q in entry = 9 Start of MODEL 14 1 H HIS 31 H HIS 31 0.696 -11.030 -3.976 2 HA HIS 31 HA HIS 31 -2.251 -11.336 -4.033 3 HB2 HIS 31 1HB HIS 31 -0.422 -9.062 -3.324 4 HB3 HIS 31 2HB HIS 31 -2.148 -8.863 -3.613 5 HD1 HIS 31 HD1 HIS 31 -3.620 -9.045 -1.670 6 HD2 HIS 31 HD2 HIS 31 -0.039 -11.140 -1.113 7 HE1 HIS 31 HE1 HIS 31 -3.618 -9.908 0.717 No H/Q in entry = 7 Start of MODEL 14 1 HA PRO 32 HA PRO 32 -3.988 -10.290 -4.857 2 HB2 PRO 32 1HB PRO 32 -5.824 -9.556 -6.655 3 HB3 PRO 32 2HB PRO 32 -4.708 -8.375 -5.944 4 HG2 PRO 32 1HG PRO 32 -4.493 -9.637 -8.676 5 HG3 PRO 32 2HG PRO 32 -4.258 -7.938 -8.200 6 HD2 PRO 32 1HD PRO 32 -2.219 -9.883 -8.464 7 HD3 PRO 32 2HD PRO 32 -2.066 -8.339 -7.584 No H/Q in entry = 7 Start of MODEL 14 1 H SER 33 H SER 33 -5.603 -11.196 -7.720 2 HA SER 33 HA SER 33 -4.915 -14.076 -7.419 3 HB2 SER 33 1HB SER 33 -7.134 -14.473 -8.364 4 HB3 SER 33 2HB SER 33 -7.230 -13.487 -6.893 5 HG SER 33 HG SER 33 -8.497 -12.703 -8.680 No H/Q in entry = 5 Start of MODEL 14 1 H ASP 34 H ASP 34 -3.982 -11.531 -9.338 2 HA ASP 34 HA ASP 34 -4.777 -12.565 -11.938 3 HB2 ASP 34 1HB ASP 34 -4.955 -10.192 -11.298 4 HB3 ASP 34 2HB ASP 34 -3.200 -10.097 -11.112 No H/Q in entry = 4 Start of MODEL 14 1 H ILE 35 H ILE 35 -3.270 -14.530 -11.054 2 HA ILE 35 HA ILE 35 -0.547 -14.199 -12.132 3 HB ILE 35 HB ILE 35 -0.930 -15.145 -9.898 4 HG13 ILE 35 HG12 ILE 35 1.105 -15.376 -11.291 5 HG22 ILE 35 HG21 ILE 35 -1.584 -17.539 -9.712 6 HG23 ILE 35 HG22 ILE 35 -2.909 -16.542 -10.316 7 HG21 ILE 35 HG23 ILE 35 -1.989 -17.569 -11.431 8 HD13 ILE 35 HD11 ILE 35 2.204 -17.008 -9.942 9 HD11 ILE 35 HD12 ILE 35 1.108 -16.033 -8.945 10 HD12 ILE 35 HD13 ILE 35 0.658 -17.693 -9.411 11 HG12 ILE 35 HG11 ILE 35 0.565 -16.968 -11.801 No H/Q in entry = 11 Start of MODEL 14 1 H GLU 36 H GLU 36 0.320 -15.752 -13.678 2 HA GLU 36 HA GLU 36 -1.661 -17.170 -15.427 3 HB2 GLU 36 1HB GLU 36 0.716 -15.495 -16.193 4 HB3 GLU 36 2HB GLU 36 -0.270 -16.425 -17.333 5 HG2 GLU 36 1HG GLU 36 -2.226 -15.003 -16.798 6 HG3 GLU 36 2HG GLU 36 -1.255 -14.068 -15.646 No H/Q in entry = 6 Start of MODEL 14 1 H VAL 37 H VAL 37 -1.023 -18.969 -14.041 2 HA VAL 37 HA VAL 37 1.739 -19.965 -14.309 3 HB VAL 37 HB VAL 37 -0.542 -21.190 -12.788 4 HG12 VAL 37 HG11 VAL 37 1.324 -22.272 -11.504 5 HG13 VAL 37 HG12 VAL 37 1.322 -22.766 -13.198 6 HG11 VAL 37 HG13 VAL 37 2.489 -21.555 -12.632 7 HG23 VAL 37 HG21 VAL 37 0.593 -20.190 -10.784 8 HG21 VAL 37 HG22 VAL 37 1.551 -19.180 -11.885 9 HG22 VAL 37 HG23 VAL 37 -0.231 -19.033 -11.828 No H/Q in entry = 9 Start of MODEL 14 1 H ASP 38 H ASP 38 1.632 -20.408 -16.593 2 HA ASP 38 HA ASP 38 0.118 -22.815 -17.436 3 HB2 ASP 38 1HB ASP 38 2.241 -21.282 -18.965 4 HB3 ASP 38 2HB ASP 38 1.116 -22.485 -19.583 No H/Q in entry = 4 Start of MODEL 14 1 H LEU 39 H LEU 39 1.931 -24.296 -18.796 2 HA LEU 39 HA LEU 39 4.517 -24.510 -17.653 3 HB2 LEU 39 1HB LEU 39 4.373 -26.725 -16.667 4 HB3 LEU 39 2HB LEU 39 3.438 -25.580 -15.731 5 HG LEU 39 HG LEU 39 2.160 -27.397 -17.818 6 HD12 LEU 39 HD11 LEU 39 2.594 -27.890 -14.833 7 HD11 LEU 39 HD12 LEU 39 3.388 -28.774 -16.158 8 HD13 LEU 39 HD13 LEU 39 1.637 -28.906 -15.927 9 HD22 LEU 39 HD21 LEU 39 0.618 -25.627 -17.094 10 HD21 LEU 39 HD22 LEU 39 1.059 -25.888 -15.390 11 HD23 LEU 39 HD23 LEU 39 0.168 -27.124 -16.293 No H/Q in entry = 11 Start of MODEL 14 1 H LEU 40 H LEU 40 5.772 -26.141 -18.644 2 HA LEU 40 HA LEU 40 4.681 -27.080 -21.260 3 HB2 LEU 40 1HB LEU 40 7.337 -25.681 -20.778 4 HB3 LEU 40 2HB LEU 40 6.730 -26.272 -22.328 5 HG LEU 40 HG LEU 40 5.513 -24.001 -20.684 6 HD12 LEU 40 HD11 LEU 40 7.060 -23.973 -23.307 7 HD11 LEU 40 HD12 LEU 40 7.682 -23.445 -21.726 8 HD13 LEU 40 HD13 LEU 40 6.343 -22.567 -22.489 9 HD23 LEU 40 HD21 LEU 40 4.144 -23.590 -22.734 10 HD22 LEU 40 HD22 LEU 40 3.744 -25.120 -21.970 11 HD21 LEU 40 HD23 LEU 40 4.750 -25.117 -23.423 No H/Q in entry = 11 Start of MODEL 14 1 H LYS 41 H LYS 41 5.641 -28.821 -22.197 2 HA LYS 41 HA LYS 41 7.961 -30.109 -20.917 3 HB2 LYS 41 1HB LYS 41 7.014 -32.319 -21.079 4 HB3 LYS 41 2HB LYS 41 6.039 -31.301 -20.001 5 HG2 LYS 41 1HG LYS 41 4.410 -30.971 -21.915 6 HG3 LYS 41 2HG LYS 41 5.352 -32.174 -22.826 7 HD2 LYS 41 1HD LYS 41 4.990 -33.842 -21.035 8 HD3 LYS 41 2HD LYS 41 3.972 -32.678 -20.172 9 HE2 LYS 41 1HE LYS 41 2.562 -34.203 -21.398 10 HE3 LYS 41 2HE LYS 41 2.442 -32.622 -22.185 11 HZ3 LYS 41 1HZ LYS 41 3.976 -33.407 -23.846 12 HZ2 LYS 41 2HZ LYS 41 2.706 -34.446 -23.730 13 HZ1 LYS 41 3HZ LYS 41 4.158 -34.843 -23.064 No H/Q in entry = 13 Start of MODEL 14 1 H ASN 42 H ASN 42 9.459 -30.107 -22.501 2 HA ASN 42 HA ASN 42 10.395 -29.900 -24.557 3 HB2 ASN 42 1HB ASN 42 8.195 -31.813 -25.449 4 HB3 ASN 42 2HB ASN 42 9.742 -31.532 -26.248 5 HD21 ASN 42 HD21 ASN 42 11.697 -32.362 -25.296 6 HD22 ASN 42 HD22 ASN 42 11.634 -33.615 -24.077 No H/Q in entry = 6 Start of MODEL 14 1 H GLY 43 H GLY 43 8.497 -27.860 -23.838 2 HA3 GLY 43 1HA GLY 43 7.817 -25.931 -24.854 3 HA2 GLY 43 2HA GLY 43 8.093 -26.628 -26.448 No H/Q in entry = 3 Start of MODEL 14 1 H GLU 44 H GLU 44 6.167 -28.963 -25.131 2 HA GLU 44 HA GLU 44 3.853 -28.145 -26.581 3 HB2 GLU 44 1HB GLU 44 4.137 -30.301 -24.448 4 HB3 GLU 44 2HB GLU 44 2.815 -30.141 -25.608 5 HG2 GLU 44 1HG GLU 44 4.328 -30.585 -27.477 6 HG3 GLU 44 2HG GLU 44 5.722 -30.656 -26.384 No H/Q in entry = 6 Start of MODEL 14 1 H ARG 45 H ARG 45 2.269 -26.752 -25.940 2 HA ARG 45 HA ARG 45 1.940 -25.812 -23.211 3 HB2 ARG 45 1HB ARG 45 1.351 -24.413 -25.141 4 HB3 ARG 45 2HB ARG 45 0.133 -25.595 -25.650 5 HG2 ARG 45 1HG ARG 45 -1.075 -25.225 -23.463 6 HG3 ARG 45 2HG ARG 45 0.166 -24.046 -23.014 7 HD2 ARG 45 1HD ARG 45 -1.779 -22.886 -23.807 8 HD3 ARG 45 2HD ARG 45 -0.477 -22.664 -24.994 9 HE ARG 45 HE ARG 45 -1.886 -24.892 -25.883 10 HH12 ARG 45 HH11 ARG 45 -3.996 -21.457 -26.392 11 HH11 ARG 45 HH12 ARG 45 -2.778 -21.530 -25.143 12 HH21 ARG 45 HH21 ARG 45 -3.485 -24.766 -27.506 13 HH22 ARG 45 HH22 ARG 45 -4.385 -23.287 -27.750 No H/Q in entry = 13 Start of MODEL 14 1 H ILE 46 H ILE 46 1.155 -27.130 -21.641 2 HA ILE 46 HA ILE 46 -0.373 -29.524 -22.339 3 HB ILE 46 HB ILE 46 0.312 -28.495 -19.563 4 HG13 ILE 46 HG12 ILE 46 2.398 -28.664 -20.776 5 HG23 ILE 46 HG21 ILE 46 -0.058 -30.837 -18.949 6 HG21 ILE 46 HG22 ILE 46 -1.486 -30.244 -19.786 7 HG22 ILE 46 HG23 ILE 46 -0.331 -31.281 -20.645 8 HD13 ILE 46 HD11 ILE 46 3.594 -30.304 -19.563 9 HD11 ILE 46 HD12 ILE 46 2.325 -29.702 -18.484 10 HD12 ILE 46 HD13 ILE 46 2.147 -31.286 -19.277 11 HG12 ILE 46 HG11 ILE 46 1.943 -30.229 -21.467 No H/Q in entry = 11 Start of MODEL 14 1 H GLU 47 H GLU 47 -2.437 -29.142 -22.932 2 HA GLU 47 HA GLU 47 -4.031 -26.989 -21.668 3 HB2 GLU 47 1HB GLU 47 -4.526 -28.775 -24.064 4 HB3 GLU 47 2HB GLU 47 -5.622 -27.512 -23.477 5 HG2 GLU 47 1HG GLU 47 -3.976 -25.774 -23.855 6 HG3 GLU 47 2HG GLU 47 -2.748 -26.947 -24.334 No H/Q in entry = 6 Start of MODEL 14 1 H LYS 48 H LYS 48 -3.466 -28.854 -19.786 2 HA LYS 48 HA LYS 48 -6.097 -29.796 -19.057 3 HB2 LYS 48 1HB LYS 48 -5.081 -31.716 -20.478 4 HB3 LYS 48 2HB LYS 48 -3.917 -31.917 -19.173 5 HG2 LYS 48 1HG LYS 48 -6.175 -31.930 -17.676 6 HG3 LYS 48 2HG LYS 48 -6.924 -32.288 -19.226 7 HD2 LYS 48 1HD LYS 48 -6.565 -34.359 -18.161 8 HD3 LYS 48 2HD LYS 48 -5.314 -34.276 -19.416 9 HE2 LYS 48 1HE LYS 48 -3.641 -33.633 -17.682 10 HE3 LYS 48 2HE LYS 48 -4.926 -33.555 -16.462 11 HZ3 LYS 48 1HZ LYS 48 -3.799 -35.574 -16.276 12 HZ2 LYS 48 2HZ LYS 48 -4.011 -35.957 -17.867 13 HZ1 LYS 48 3HZ LYS 48 -5.307 -35.899 -16.846 No H/Q in entry = 13 Start of MODEL 14 1 H VAL 49 H VAL 49 -4.868 -27.775 -17.982 2 HA VAL 49 HA VAL 49 -3.196 -28.609 -15.704 3 HB VAL 49 HB VAL 49 -4.096 -25.796 -16.351 4 HG12 VAL 49 HG11 VAL 49 -1.928 -25.271 -15.227 5 HG13 VAL 49 HG12 VAL 49 -3.049 -26.150 -14.177 6 HG11 VAL 49 HG13 VAL 49 -1.691 -27.005 -14.917 7 HG21 VAL 49 HG21 VAL 49 -1.782 -27.318 -17.605 8 HG22 VAL 49 HG22 VAL 49 -3.146 -26.522 -18.427 9 HG23 VAL 49 HG23 VAL 49 -1.936 -25.544 -17.599 No H/Q in entry = 9 Start of MODEL 14 1 H GLU 50 H GLU 50 -4.185 -29.073 -13.764 2 HA GLU 50 HA GLU 50 -6.979 -28.174 -13.260 3 HB2 GLU 50 1HB GLU 50 -5.165 -30.081 -11.740 4 HB3 GLU 50 2HB GLU 50 -6.794 -29.610 -11.252 5 HG2 GLU 50 1HG GLU 50 -7.034 -31.705 -12.263 6 HG3 GLU 50 2HG GLU 50 -7.710 -30.517 -13.379 No H/Q in entry = 6 Start of MODEL 14 1 H HIS 51 H HIS 51 -7.115 -27.661 -10.681 2 HA HIS 51 HA HIS 51 -4.969 -25.976 -9.667 3 HB2 HIS 51 1HB HIS 51 -6.348 -23.941 -9.570 4 HB3 HIS 51 2HB HIS 51 -5.988 -24.408 -11.231 5 HD1 HIS 51 HD1 HIS 51 -8.820 -23.891 -8.843 6 HD2 HIS 51 HD2 HIS 51 -8.257 -25.478 -12.682 7 HE1 HIS 51 HE1 HIS 51 -11.111 -24.170 -9.886 No H/Q in entry = 7 Start of MODEL 14 1 H SER 52 H SER 52 -5.572 -25.198 -7.443 2 HA SER 52 HA SER 52 -7.760 -26.835 -6.200 3 HB2 SER 52 1HB SER 52 -5.475 -27.563 -5.569 4 HB3 SER 52 2HB SER 52 -5.169 -25.943 -4.892 5 HG SER 52 HG SER 52 -7.240 -27.741 -4.135 No H/Q in entry = 5 Start of MODEL 14 1 H ASP 53 H ASP 53 -7.836 -24.174 -7.509 2 HA ASP 53 HA ASP 53 -8.981 -22.306 -7.303 3 HB2 ASP 53 1HB ASP 53 -10.569 -23.901 -6.168 4 HB3 ASP 53 2HB ASP 53 -9.974 -23.315 -4.608 No H/Q in entry = 4 Start of MODEL 14 1 H LEU 54 H LEU 54 -9.323 -20.245 -6.042 2 HA LEU 54 HA LEU 54 -6.779 -19.294 -5.081 3 HB2 LEU 54 1HB LEU 54 -8.441 -18.020 -6.520 4 HB3 LEU 54 2HB LEU 54 -9.492 -17.915 -5.110 5 HG LEU 54 HG LEU 54 -7.344 -16.920 -3.928 6 HD11 LEU 54 HD11 LEU 54 -6.732 -16.414 -6.879 7 HD13 LEU 54 HD12 LEU 54 -5.754 -17.379 -5.759 8 HD12 LEU 54 HD13 LEU 54 -5.909 -15.632 -5.515 9 HD21 LEU 54 HD21 LEU 54 -8.920 -15.332 -5.995 10 HD23 LEU 54 HD22 LEU 54 -7.985 -14.644 -4.647 11 HD22 LEU 54 HD23 LEU 54 -9.405 -15.650 -4.314 No H/Q in entry = 11 Start of MODEL 14 1 H SER 55 H SER 55 -6.498 -20.690 -3.257 2 HA SER 55 HA SER 55 -8.407 -20.524 -1.011 3 HB2 SER 55 1HB SER 55 -6.002 -22.304 -1.530 4 HB3 SER 55 2HB SER 55 -7.121 -22.443 -0.156 5 HG SER 55 HG SER 55 -7.612 -23.805 -1.993 No H/Q in entry = 5 Start of MODEL 14 1 H PHE 56 H PHE 56 -7.932 -19.694 0.978 2 HA PHE 56 HA PHE 56 -5.717 -17.825 1.231 3 HB2 PHE 56 1HB PHE 56 -7.844 -18.761 3.193 4 HB3 PHE 56 2HB PHE 56 -6.673 -17.485 3.505 5 HD1 PHE 56 HD1 PHE 56 -6.931 -15.259 2.562 6 HD2 PHE 56 HD2 PHE 56 -9.652 -18.432 1.488 7 HE1 PHE 56 HE1 PHE 56 -8.512 -13.594 1.624 8 HE2 PHE 56 HE2 PHE 56 -11.203 -16.767 0.512 9 HZ PHE 56 HZ PHE 56 -10.653 -14.345 0.606 No H/Q in entry = 9 Start of MODEL 14 1 H SER 57 H SER 57 -3.734 -18.333 1.982 2 HA SER 57 HA SER 57 -2.963 -20.872 3.072 3 HB2 SER 57 1HB SER 57 -0.858 -19.667 3.608 4 HB3 SER 57 2HB SER 57 -1.397 -19.373 1.942 5 HG SER 57 HG SER 57 -0.855 -17.419 2.833 No H/Q in entry = 5 Start of MODEL 14 1 H LYS 58 H LYS 58 -3.614 -17.679 4.486 2 HA LYS 58 HA LYS 58 -4.956 -18.815 6.782 3 HB2 LYS 58 1HB LYS 58 -2.590 -18.846 7.579 4 HB3 LYS 58 2HB LYS 58 -2.434 -17.138 7.170 5 HG2 LYS 58 1HG LYS 58 -4.358 -16.696 8.859 6 HG3 LYS 58 2HG LYS 58 -4.266 -18.417 9.246 7 HD2 LYS 58 1HD LYS 58 -2.932 -17.588 10.898 8 HD3 LYS 58 2HD LYS 58 -1.689 -17.861 9.673 9 HE2 LYS 58 1HE LYS 58 -3.095 -15.223 10.347 10 HE3 LYS 58 2HE LYS 58 -1.433 -15.668 10.766 11 HZ3 LYS 58 1HZ LYS 58 -1.451 -14.261 8.896 12 HZ2 LYS 58 2HZ LYS 58 -2.495 -15.230 8.070 13 HZ1 LYS 58 3HZ LYS 58 -0.967 -15.758 8.401 No H/Q in entry = 13 Start of MODEL 14 1 H ASP 59 H ASP 59 -3.353 -15.887 5.454 2 HA ASP 59 HA ASP 59 -5.898 -14.473 5.207 3 HB2 ASP 59 1HB ASP 59 -5.218 -14.035 7.572 4 HB3 ASP 59 2HB ASP 59 -3.647 -13.450 7.000 No H/Q in entry = 4 Start of MODEL 14 1 H GLY 60 H GLY 60 -5.812 -13.138 3.480 2 HA3 GLY 60 1HA GLY 60 -5.028 -11.725 1.889 3 HA2 GLY 60 2HA GLY 60 -3.444 -11.719 2.670 No H/Q in entry = 3 Start of MODEL 14 1 H SER 61 H SER 61 -2.079 -13.737 2.294 2 HA SER 61 HA SER 61 -1.659 -13.866 -0.494 3 HB2 SER 61 1HB SER 61 0.166 -15.399 0.076 4 HB3 SER 61 2HB SER 61 0.174 -13.923 1.065 5 HG SER 61 HG SER 61 -0.989 -15.264 2.653 No H/Q in entry = 5 Start of MODEL 14 1 H PHE 62 H PHE 62 -2.288 -15.190 -2.025 2 HA PHE 62 HA PHE 62 -4.211 -17.308 -1.339 3 HB2 PHE 62 1HB PHE 62 -3.655 -15.906 -3.962 4 HB3 PHE 62 2HB PHE 62 -5.009 -16.957 -3.559 5 HD1 PHE 62 HD1 PHE 62 -6.627 -16.176 -1.676 6 HD2 PHE 62 HD2 PHE 62 -3.737 -13.570 -3.522 7 HE1 PHE 62 HE1 PHE 62 -8.032 -14.211 -1.115 8 HE2 PHE 62 HE2 PHE 62 -5.147 -11.607 -2.969 9 HZ PHE 62 HZ PHE 62 -7.308 -11.928 -1.779 No H/Q in entry = 9 Start of MODEL 14 1 H TYR 63 H TYR 63 -3.415 -19.396 -1.379 2 HA TYR 63 HA TYR 63 -1.315 -20.123 -3.315 3 HB2 TYR 63 1HB TYR 63 -0.831 -21.930 -2.103 4 HB3 TYR 63 2HB TYR 63 -1.173 -20.679 -0.912 5 HD1 TYR 63 HD1 TYR 63 -3.152 -20.876 0.562 6 HD2 TYR 63 HD2 TYR 63 -2.333 -23.847 -2.443 7 HE1 TYR 63 HE1 TYR 63 -4.738 -22.442 1.668 8 HE2 TYR 63 HE2 TYR 63 -3.922 -25.398 -1.351 9 HH TYR 63 HH TYR 63 -5.742 -24.493 1.605 No H/Q in entry = 9 Start of MODEL 14 1 H LEU 64 H LEU 64 -1.919 -20.896 -5.271 2 HA LEU 64 HA LEU 64 -4.216 -22.784 -5.518 3 HB2 LEU 64 1HB LEU 64 -2.422 -21.449 -7.513 4 HB3 LEU 64 2HB LEU 64 -3.636 -22.665 -7.921 5 HG LEU 64 HG LEU 64 -4.987 -20.808 -6.238 6 HD12 LEU 64 HD11 LEU 64 -4.723 -18.695 -7.442 7 HD11 LEU 64 HD12 LEU 64 -3.409 -19.385 -8.411 8 HD13 LEU 64 HD13 LEU 64 -3.213 -19.193 -6.650 9 HD23 LEU 64 HD21 LEU 64 -6.323 -20.377 -8.257 10 HD22 LEU 64 HD22 LEU 64 -6.022 -22.105 -8.013 11 HD21 LEU 64 HD23 LEU 64 -5.108 -21.212 -9.249 No H/Q in entry = 11 Start of MODEL 14 1 H LEU 65 H LEU 65 -3.481 -24.617 -7.209 2 HA LEU 65 HA LEU 65 -0.788 -25.694 -6.787 3 HB2 LEU 65 1HB LEU 65 -2.137 -26.564 -4.840 4 HB3 LEU 65 2HB LEU 65 -3.308 -27.201 -5.992 5 HG LEU 65 HG LEU 65 -1.372 -28.587 -6.985 6 HD11 LEU 65 HD11 LEU 65 -0.103 -27.860 -4.317 7 HD13 LEU 65 HD12 LEU 65 0.512 -27.372 -5.918 8 HD12 LEU 65 HD13 LEU 65 0.468 -29.078 -5.443 9 HD22 LEU 65 HD21 LEU 65 -1.649 -30.321 -5.238 10 HD21 LEU 65 HD22 LEU 65 -3.192 -29.528 -5.600 11 HD23 LEU 65 HD23 LEU 65 -2.300 -29.099 -4.125 No H/Q in entry = 11 Start of MODEL 14 1 H TYR 66 H TYR 66 -0.587 -25.251 -9.004 2 HA TYR 66 HA TYR 66 -2.642 -26.148 -10.874 3 HB2 TYR 66 1HB TYR 66 0.002 -24.732 -11.262 4 HB3 TYR 66 2HB TYR 66 -1.051 -25.225 -12.576 5 HD1 TYR 66 HD1 TYR 66 -0.788 -22.978 -9.616 6 HD2 TYR 66 HD2 TYR 66 -3.038 -23.990 -13.151 7 HE1 TYR 66 HE1 TYR 66 -1.827 -20.726 -9.615 8 HE2 TYR 66 HE2 TYR 66 -4.114 -21.766 -13.108 9 HH TYR 66 HH TYR 66 -4.207 -19.696 -12.069 No H/Q in entry = 9 Start of MODEL 14 1 H TYR 67 H TYR 67 -2.564 -28.438 -10.407 2 HA TYR 67 HA TYR 67 -0.055 -29.789 -11.050 3 HB2 TYR 67 1HB TYR 67 -0.874 -31.701 -9.952 4 HB3 TYR 67 2HB TYR 67 -1.105 -30.282 -8.942 5 HD1 TYR 67 HD1 TYR 67 -2.793 -32.889 -10.994 6 HD2 TYR 67 HD2 TYR 67 -3.331 -29.626 -8.235 7 HE1 TYR 67 HE1 TYR 67 -5.179 -33.500 -10.736 8 HE2 TYR 67 HE2 TYR 67 -5.736 -30.182 -8.043 9 HH TYR 67 HH TYR 67 -7.418 -31.615 -8.664 No H/Q in entry = 9 Start of MODEL 14 1 H THR 68 H THR 68 0.289 -30.982 -12.813 2 HA THR 68 HA THR 68 -1.922 -31.688 -14.659 3 HB THR 68 HB THR 68 -0.070 -30.281 -15.357 4 HG1 THR 68 HG1 THR 68 -1.259 -31.501 -16.813 5 HG23 THR 68 HG21 THR 68 2.119 -31.266 -15.880 6 HG22 THR 68 HG22 THR 68 1.629 -32.819 -15.204 7 HG21 THR 68 HG23 THR 68 1.811 -31.416 -14.138 No H/Q in entry = 7 Start of MODEL 14 1 H GLU 69 H GLU 69 -0.769 -33.744 -16.033 2 HA GLU 69 HA GLU 69 0.410 -35.780 -14.262 3 HB2 GLU 69 1HB GLU 69 -2.000 -36.310 -14.253 4 HB3 GLU 69 2HB GLU 69 -1.994 -36.347 -16.028 5 HG2 GLU 69 1HG GLU 69 -0.403 -38.247 -16.000 6 HG3 GLU 69 2HG GLU 69 -0.309 -38.148 -14.240 No H/Q in entry = 6 Start of MODEL 14 1 H PHE 70 H PHE 70 2.337 -35.233 -15.347 2 HA PHE 70 HA PHE 70 2.467 -35.527 -18.281 3 HB2 PHE 70 1HB PHE 70 4.589 -34.599 -18.140 4 HB3 PHE 70 2HB PHE 70 3.520 -33.612 -17.158 5 HD1 PHE 70 HD1 PHE 70 6.335 -36.043 -17.102 6 HD2 PHE 70 HD2 PHE 70 3.872 -33.435 -14.733 7 HE1 PHE 70 HE1 PHE 70 8.053 -36.045 -15.306 8 HE2 PHE 70 HE2 PHE 70 5.573 -33.538 -12.895 9 HZ PHE 70 HZ PHE 70 7.626 -34.834 -13.186 No H/Q in entry = 9 Start of MODEL 14 1 H THR 71 H THR 71 3.896 -36.997 -19.302 2 HA THR 71 HA THR 71 4.558 -39.437 -17.770 3 HB THR 71 HB THR 71 4.324 -39.036 -20.739 4 HG1 THR 71 HG1 THR 71 2.513 -40.032 -18.802 5 HG23 THR 71 HG21 THR 71 5.681 -41.026 -20.011 6 HG22 THR 71 HG22 THR 71 4.116 -41.506 -20.695 7 HG21 THR 71 HG23 THR 71 4.357 -41.513 -18.937 No H/Q in entry = 7 Start of MODEL 14 1 HA PRO 72 HA PRO 72 8.930 -37.983 -18.658 2 HB2 PRO 72 1HB PRO 72 10.171 -39.108 -16.537 3 HB3 PRO 72 2HB PRO 72 9.209 -37.620 -16.393 4 HG2 PRO 72 1HG PRO 72 8.312 -40.450 -15.764 5 HG3 PRO 72 2HG PRO 72 8.141 -38.998 -14.742 6 HD2 PRO 72 1HD PRO 72 6.152 -39.942 -16.394 7 HD3 PRO 72 2HD PRO 72 6.345 -38.208 -16.043 No H/Q in entry = 7 Start of MODEL 14 1 H THR 73 H THR 73 8.703 -39.338 -20.575 2 HA THR 73 HA THR 73 8.985 -42.213 -20.399 3 HB THR 73 HB THR 73 9.281 -42.135 -22.818 4 HG1 THR 73 HG1 THR 73 9.246 -39.319 -22.483 5 HG23 THR 73 HG21 THR 73 7.107 -41.206 -23.417 6 HG22 THR 73 HG22 THR 73 7.048 -40.269 -21.916 7 HG21 THR 73 HG23 THR 73 6.995 -42.049 -21.861 No H/Q in entry = 7 Start of MODEL 14 1 H GLU 74 H GLU 74 11.199 -39.857 -21.932 2 HA GLU 74 HA GLU 74 13.392 -40.369 -20.192 3 HB2 GLU 74 1HB GLU 74 13.532 -42.487 -21.503 4 HB3 GLU 74 2HB GLU 74 13.586 -41.558 -23.006 5 HG2 GLU 74 1HG GLU 74 15.715 -40.533 -22.332 6 HG3 GLU 74 2HG GLU 74 15.627 -41.318 -20.745 No H/Q in entry = 6 Start of MODEL 14 1 H LYS 75 H LYS 75 14.944 -38.733 -20.502 2 HA LYS 75 HA LYS 75 16.018 -36.967 -21.314 3 HB2 LYS 75 1HB LYS 75 15.708 -38.321 -23.589 4 HB3 LYS 75 2HB LYS 75 14.565 -37.035 -23.950 5 HG2 LYS 75 1HG LYS 75 16.341 -35.990 -24.799 6 HG3 LYS 75 2HG LYS 75 16.687 -35.513 -23.142 7 HD2 LYS 75 1HD LYS 75 17.880 -37.894 -24.651 8 HD3 LYS 75 2HD LYS 75 18.651 -36.339 -24.338 9 HE2 LYS 75 1HE LYS 75 19.609 -37.756 -22.763 10 HE3 LYS 75 2HE LYS 75 18.411 -36.846 -21.830 11 HZ1 LYS 75 1HZ LYS 75 18.057 -39.553 -22.942 12 HZ3 LYS 75 2HZ LYS 75 16.973 -38.754 -21.996 13 HZ2 LYS 75 3HZ LYS 75 18.423 -39.214 -21.373 No H/Q in entry = 13 Start of MODEL 14 1 H ASP 76 H ASP 76 12.538 -37.000 -21.456 2 HA ASP 76 HA ASP 76 11.889 -34.421 -22.193 3 HB2 ASP 76 1HB ASP 76 10.587 -36.139 -20.049 4 HB3 ASP 76 2HB ASP 76 9.821 -34.803 -20.935 No H/Q in entry = 4 Start of MODEL 14 1 H GLU 77 H GLU 77 11.855 -32.452 -21.243 2 HA GLU 77 HA GLU 77 12.789 -32.184 -18.429 3 HB2 GLU 77 1HB GLU 77 14.056 -30.287 -18.956 4 HB3 GLU 77 2HB GLU 77 14.565 -31.603 -20.012 5 HG2 GLU 77 1HG GLU 77 12.857 -29.194 -20.785 6 HG3 GLU 77 2HG GLU 77 14.543 -29.479 -21.193 No H/Q in entry = 6 Start of MODEL 14 1 H TYR 78 H TYR 78 11.367 -31.313 -17.159 2 HA TYR 78 HA TYR 78 8.964 -29.996 -18.258 3 HB2 TYR 78 1HB TYR 78 9.566 -31.193 -15.548 4 HB3 TYR 78 2HB TYR 78 8.013 -30.567 -16.079 5 HD1 TYR 78 HD1 TYR 78 10.510 -33.285 -16.589 6 HD2 TYR 78 HD2 TYR 78 6.661 -31.740 -17.748 7 HE1 TYR 78 HE1 TYR 78 10.057 -35.369 -17.835 8 HE2 TYR 78 HE2 TYR 78 6.323 -33.723 -19.190 9 HH TYR 78 HH TYR 78 7.124 -35.766 -19.868 No H/Q in entry = 9 Start of MODEL 14 1 H ALA 79 H ALA 79 8.352 -27.909 -17.653 2 HA ALA 79 HA ALA 79 9.724 -26.582 -15.443 3 HB1 ALA 79 1HB ALA 79 11.267 -26.128 -17.325 4 HB3 ALA 79 2HB ALA 79 9.911 -25.502 -18.292 5 HB2 ALA 79 3HB ALA 79 10.425 -24.650 -16.817 No H/Q in entry = 5 Start of MODEL 14 1 H CYS 80 H CYS 80 8.422 -25.172 -14.419 2 HA CYS 80 HA CYS 80 5.711 -24.824 -15.487 3 HB2 CYS 80 1HB CYS 80 6.368 -25.503 -13.085 4 HB3 CYS 80 2HB CYS 80 6.619 -23.770 -12.823 No H/Q in entry = 4 Start of MODEL 14 1 H ARG 81 H ARG 81 4.871 -22.909 -16.174 2 HA ARG 81 HA ARG 81 6.701 -20.686 -16.769 3 HB2 ARG 81 1HB ARG 81 5.088 -21.745 -18.450 4 HB3 ARG 81 2HB ARG 81 3.783 -21.151 -17.418 5 HG2 ARG 81 1HG ARG 81 3.963 -19.605 -19.166 6 HG3 ARG 81 2HG ARG 81 4.637 -18.805 -17.745 7 HD2 ARG 81 1HD ARG 81 6.882 -19.144 -18.516 8 HD3 ARG 81 2HD ARG 81 6.381 -20.292 -19.764 9 HE ARG 81 HE ARG 81 6.292 -17.376 -19.850 10 HH12 ARG 81 HH11 ARG 81 4.489 -19.513 -22.789 11 HH11 ARG 81 HH12 ARG 81 4.918 -20.318 -21.301 12 HH21 ARG 81 HH21 ARG 81 5.759 -16.364 -21.796 13 HH22 ARG 81 HH22 ARG 81 4.963 -17.255 -23.071 No H/Q in entry = 13 Start of MODEL 14 1 H VAL 82 H VAL 82 6.516 -18.724 -15.576 2 HA VAL 82 HA VAL 82 4.131 -18.359 -13.843 3 HB VAL 82 HB VAL 82 6.929 -18.040 -12.722 4 HG11 VAL 82 HG11 VAL 82 5.022 -16.756 -11.706 5 HG12 VAL 82 HG12 VAL 82 4.177 -18.295 -11.435 6 HG13 VAL 82 HG13 VAL 82 5.710 -17.965 -10.601 7 HG21 VAL 82 HG21 VAL 82 5.080 -20.434 -12.368 8 HG22 VAL 82 HG22 VAL 82 6.684 -20.449 -13.142 9 HG23 VAL 82 HG23 VAL 82 6.539 -20.099 -11.421 No H/Q in entry = 9 Start of MODEL 14 1 H ASN 83 H ASN 83 3.336 -16.663 -14.882 2 HA ASN 83 HA ASN 83 4.935 -14.140 -14.825 3 HB2 ASN 83 1HB ASN 83 2.699 -14.877 -16.758 4 HB3 ASN 83 2HB ASN 83 3.450 -13.287 -16.600 5 HD21 ASN 83 HD21 ASN 83 4.071 -16.710 -17.411 6 HD22 ASN 83 HD22 ASN 83 5.431 -16.412 -18.473 No H/Q in entry = 6 Start of MODEL 14 1 H HIS 84 H HIS 84 3.614 -12.273 -14.263 2 HA HIS 84 HA HIS 84 1.098 -12.522 -12.875 3 HB2 HIS 84 1HB HIS 84 2.607 -13.746 -11.283 4 HB3 HIS 84 2HB HIS 84 3.703 -12.380 -11.303 5 HD2 HIS 84 HD2 HIS 84 -0.114 -12.855 -10.208 6 HE1 HIS 84 HE1 HIS 84 1.890 -10.255 -7.548 7 HE2 HIS 84 HE2 HIS 84 -0.340 -11.389 -8.055 No H/Q in entry = 7 Start of MODEL 14 1 H VAL 85 H VAL 85 0.679 -10.363 -11.712 2 HA VAL 85 HA VAL 85 1.186 -8.249 -13.449 3 HB VAL 85 HB VAL 85 -0.691 -8.439 -11.842 4 HG12 VAL 85 HG11 VAL 85 1.296 -7.406 -9.770 5 HG13 VAL 85 HG12 VAL 85 -0.453 -7.577 -9.558 6 HG11 VAL 85 HG13 VAL 85 0.547 -9.015 -9.799 7 HG23 VAL 85 HG21 VAL 85 0.778 -5.781 -11.650 8 HG21 VAL 85 HG22 VAL 85 -0.168 -6.329 -13.055 9 HG22 VAL 85 HG23 VAL 85 -0.966 -6.072 -11.494 No H/Q in entry = 9 Start of MODEL 14 1 H THR 86 H THR 86 3.110 -9.311 -10.651 2 HA THR 86 HA THR 86 4.890 -7.006 -10.711 3 HB THR 86 HB THR 86 6.289 -8.355 -9.198 4 HG1 THR 86 HG1 THR 86 4.260 -10.308 -9.452 5 HG22 THR 86 HG21 THR 86 3.353 -8.340 -8.385 6 HG21 THR 86 HG22 THR 86 4.467 -6.955 -8.322 7 HG23 THR 86 HG23 THR 86 4.760 -8.376 -7.300 No H/Q in entry = 7 Start of MODEL 14 1 H LEU 87 H LEU 87 5.008 -10.393 -11.956 2 HA LEU 87 HA LEU 87 7.786 -10.091 -12.729 3 HB2 LEU 87 1HB LEU 87 5.931 -12.350 -13.454 4 HB3 LEU 87 2HB LEU 87 7.682 -12.356 -13.429 5 HG LEU 87 HG LEU 87 5.861 -12.095 -10.988 6 HD13 LEU 87 HD11 LEU 87 6.604 -14.331 -10.420 7 HD12 LEU 87 HD12 LEU 87 7.628 -14.401 -11.866 8 HD11 LEU 87 HD13 LEU 87 5.860 -14.333 -12.027 9 HD21 LEU 87 HD21 LEU 87 8.893 -12.247 -11.111 10 HD23 LEU 87 HD22 LEU 87 7.905 -12.361 -9.640 11 HD22 LEU 87 HD23 LEU 87 7.925 -10.859 -10.568 No H/Q in entry = 11 Start of MODEL 14 1 H SER 88 H SER 88 8.133 -8.656 -14.304 2 HA SER 88 HA SER 88 6.681 -8.236 -16.692 3 HB2 SER 88 1HB SER 88 8.383 -6.692 -15.888 4 HB3 SER 88 2HB SER 88 9.641 -7.935 -16.020 5 HG SER 88 HG SER 88 9.616 -6.527 -17.815 No H/Q in entry = 5 Start of MODEL 14 1 H GLN 89 H GLN 89 9.426 -10.412 -15.942 2 HA GLN 89 HA GLN 89 9.387 -11.509 -18.679 3 HB2 GLN 89 1HB GLN 89 11.378 -11.819 -16.413 4 HB3 GLN 89 2HB GLN 89 11.537 -12.515 -18.028 5 HG2 GLN 89 1HG GLN 89 11.463 -10.240 -19.026 6 HG3 GLN 89 2HG GLN 89 11.332 -9.535 -17.405 7 HE21 GLN 89 HE21 GLN 89 13.431 -11.757 -19.335 8 HE22 GLN 89 HE22 GLN 89 14.933 -11.226 -18.612 No H/Q in entry = 8 Start of MODEL 14 1 HA PRO 90 HA PRO 90 7.540 -15.321 -17.161 2 HB2 PRO 90 1HB PRO 90 8.223 -17.099 -19.080 3 HB3 PRO 90 2HB PRO 90 7.160 -15.692 -19.432 4 HG2 PRO 90 1HG PRO 90 10.134 -15.892 -19.953 5 HG3 PRO 90 2HG PRO 90 8.846 -15.396 -21.083 6 HD2 PRO 90 1HD PRO 90 10.302 -13.581 -19.648 7 HD3 PRO 90 2HD PRO 90 8.571 -13.316 -20.000 No H/Q in entry = 7 Start of MODEL 14 1 H LYS 91 H LYS 91 8.278 -16.389 -15.399 2 HA LYS 91 HA LYS 91 11.146 -17.092 -15.171 3 HB2 LYS 91 1HB LYS 91 8.835 -16.932 -13.256 4 HB3 LYS 91 2HB LYS 91 10.254 -17.915 -12.876 5 HG2 LYS 91 1HG LYS 91 10.477 -15.721 -11.905 6 HG3 LYS 91 2HG LYS 91 11.742 -16.004 -13.107 7 HD2 LYS 91 1HD LYS 91 10.565 -14.584 -14.731 8 HD3 LYS 91 2HD LYS 91 9.206 -14.383 -13.600 9 HE2 LYS 91 1HE LYS 91 10.858 -13.335 -11.972 10 HE3 LYS 91 2HE LYS 91 12.090 -13.454 -13.241 11 HZ2 LYS 91 1HZ LYS 91 9.622 -11.880 -13.296 12 HZ1 LYS 91 2HZ LYS 91 10.573 -12.113 -14.616 13 HZ3 LYS 91 3HZ LYS 91 11.170 -11.321 -13.295 No H/Q in entry = 13 Start of MODEL 14 1 H ILE 92 H ILE 92 11.671 -18.851 -16.282 2 HA ILE 92 HA ILE 92 9.885 -21.170 -16.578 3 HB ILE 92 HB ILE 92 12.733 -20.698 -17.554 4 HG13 ILE 92 HG12 ILE 92 11.732 -20.141 -19.746 5 HG23 ILE 92 HG21 ILE 92 12.122 -23.053 -17.565 6 HG21 ILE 92 HG22 ILE 92 10.602 -22.702 -18.411 7 HG22 ILE 92 HG23 ILE 92 12.159 -22.443 -19.222 8 HD11 ILE 92 HD11 ILE 92 9.131 -19.765 -18.190 9 HD12 ILE 92 HD12 ILE 92 9.448 -19.254 -19.850 10 HD13 ILE 92 HD13 ILE 92 9.407 -20.982 -19.458 11 HG12 ILE 92 HG11 ILE 92 11.453 -18.930 -18.505 No H/Q in entry = 11 Start of MODEL 14 1 H VAL 93 H VAL 93 9.687 -21.917 -14.444 2 HA VAL 93 HA VAL 93 12.022 -22.202 -12.752 3 HB VAL 93 HB VAL 93 9.171 -23.183 -12.345 4 HG11 VAL 93 HG11 VAL 93 11.614 -22.966 -10.511 5 HG12 VAL 93 HG12 VAL 93 9.966 -23.188 -9.908 6 HG13 VAL 93 HG13 VAL 93 10.714 -24.444 -10.903 7 HG22 VAL 93 HG21 VAL 93 8.946 -21.273 -10.897 8 HG23 VAL 93 HG22 VAL 93 10.589 -20.714 -11.315 9 HG21 VAL 93 HG23 VAL 93 9.301 -20.741 -12.546 No H/Q in entry = 9 Start of MODEL 14 1 H LYS 94 H LYS 94 13.380 -23.841 -12.772 2 HA LYS 94 HA LYS 94 12.931 -26.156 -14.488 3 HB2 LYS 94 1HB LYS 94 15.316 -25.412 -12.746 4 HB3 LYS 94 2HB LYS 94 15.249 -26.674 -13.990 5 HG2 LYS 94 1HG LYS 94 14.675 -24.870 -15.677 6 HG3 LYS 94 2HG LYS 94 14.949 -23.664 -14.403 7 HD2 LYS 94 1HD LYS 94 17.276 -24.573 -14.110 8 HD3 LYS 94 2HD LYS 94 16.984 -25.645 -15.498 9 HE2 LYS 94 1HE LYS 94 16.506 -23.630 -16.911 10 HE3 LYS 94 2HE LYS 94 16.878 -22.591 -15.521 11 HZ3 LYS 94 1HZ LYS 94 19.083 -23.439 -15.523 12 HZ2 LYS 94 2HZ LYS 94 18.722 -22.851 -17.020 13 HZ1 LYS 94 3HZ LYS 94 18.750 -24.478 -16.759 No H/Q in entry = 13 Start of MODEL 14 1 H TRP 95 H TRP 95 11.507 -27.585 -13.614 2 HA TRP 95 HA TRP 95 11.003 -28.364 -11.039 3 HB2 TRP 95 1HB TRP 95 9.741 -29.203 -12.928 4 HB3 TRP 95 2HB TRP 95 11.168 -29.976 -13.597 5 HD1 TRP 95 HD1 TRP 95 9.728 -30.339 -10.019 6 HE1 TRP 95 HE1 TRP 95 9.371 -32.837 -9.522 7 HE3 TRP 95 HE3 TRP 95 11.250 -32.248 -14.475 8 HZ2 TRP 95 HZ2 TRP 95 9.640 -35.341 -10.928 9 HZ3 TRP 95 HZ3 TRP 95 11.169 -34.719 -14.889 10 HH2 TRP 95 HH2 TRP 95 10.325 -36.245 -13.137 No H/Q in entry = 10 Start of MODEL 14 1 H ASP 96 H ASP 96 12.365 -28.996 -9.471 2 HA ASP 96 HA ASP 96 14.871 -30.412 -10.035 3 HB2 ASP 96 1HB ASP 96 13.632 -29.411 -7.461 4 HB3 ASP 96 2HB ASP 96 15.190 -30.248 -7.582 No H/Q in entry = 4 Start of MODEL 14 1 H ARG 97 H ARG 97 13.849 -32.232 -11.042 2 HA ARG 97 HA ARG 97 12.165 -34.087 -9.807 3 HB2 ARG 97 1HB ARG 97 12.848 -35.624 -11.443 4 HB3 ARG 97 2HB ARG 97 12.832 -34.031 -12.201 5 HG2 ARG 97 1HG ARG 97 15.367 -35.471 -11.297 6 HG3 ARG 97 2HG ARG 97 14.655 -35.533 -12.903 7 HD2 ARG 97 1HD ARG 97 16.211 -33.915 -13.251 8 HD3 ARG 97 2HD ARG 97 14.794 -32.926 -12.868 9 HE ARG 97 HE ARG 97 16.532 -33.669 -10.608 10 HH12 ARG 97 HH11 ARG 97 16.798 -29.954 -12.214 11 HH11 ARG 97 HH12 ARG 97 15.944 -31.187 -13.107 12 HH21 ARG 97 HH21 ARG 97 17.689 -32.037 -9.526 13 HH22 ARG 97 HH22 ARG 97 17.734 -30.413 -10.172 No H/Q in entry = 13 Start of MODEL 14 1 H ASP 98 H ASP 98 15.481 -33.392 -9.012 2 HA ASP 98 HA ASP 98 16.091 -35.966 -7.810 3 HB2 ASP 98 1HB ASP 98 17.383 -33.221 -7.519 4 HB3 ASP 98 2HB ASP 98 18.040 -34.740 -6.888 No H/Q in entry = 4 Start of MODEL 14 1 H MET 99 H MET 99 15.157 -32.700 -6.596 2 HA MET 99 HA MET 99 13.860 -33.917 -4.277 3 HB2 MET 99 1HB MET 99 16.268 -33.667 -3.607 4 HB3 MET 99 2HB MET 99 16.172 -31.943 -3.950 5 HG2 MET 99 1HG MET 99 15.948 -32.406 -1.560 6 HG3 MET 99 2HG MET 99 14.495 -31.642 -2.197 7 HE3 MET 99 1HE MET 99 15.426 -35.551 -2.521 8 HE1 MET 99 2HE MET 99 16.154 -34.975 -1.000 9 HE2 MET 99 3HE MET 99 14.785 -36.108 -0.965 No H/Q in entry = 9 Start of MODEL 15 1 H1 MET 0 2H MET 0 0.546 -1.745 -3.108 2 H2 MET 0 3H MET 0 0.732 -1.175 -1.572 3 H3 MET 0 1H MET 0 0.445 -0.127 -2.811 4 HA MET 0 HA MET 0 2.475 -0.660 -3.849 5 HB2 MET 0 1HB MET 0 3.990 0.479 -2.343 6 HB3 MET 0 2HB MET 0 2.402 1.254 -2.370 7 HG2 MET 0 1HG MET 0 1.839 0.105 -0.219 8 HG3 MET 0 2HG MET 0 3.477 -0.571 -0.183 9 HE3 MET 0 1HE MET 0 2.128 1.069 2.194 10 HE1 MET 0 2HE MET 0 3.765 0.371 2.265 11 HE2 MET 0 3HE MET 0 3.504 2.076 2.700 No H/Q in entry = 11 Start of MODEL 15 1 H ILE 1 H ILE 1 1.927 -2.563 -0.892 2 HA ILE 1 HA ILE 1 4.363 -4.113 -1.240 3 HB ILE 1 HB ILE 1 3.679 -3.858 0.971 4 HG13 ILE 1 HG12 ILE 1 2.939 -6.708 0.159 5 HG23 ILE 1 HG21 ILE 1 1.579 -4.631 1.939 6 HG21 ILE 1 HG22 ILE 1 1.292 -3.344 0.774 7 HG22 ILE 1 HG23 ILE 1 0.939 -5.030 0.342 8 HD13 ILE 1 HD11 ILE 1 5.178 -6.202 -0.707 9 HD11 ILE 1 HD12 ILE 1 5.631 -5.442 0.840 10 HD12 ILE 1 HD13 ILE 1 5.318 -7.189 0.756 11 HG12 ILE 1 HG11 ILE 1 3.402 -6.158 1.764 No H/Q in entry = 11 Start of MODEL 15 1 H GLN 2 H GLN 2 4.272 -4.795 -3.331 2 HA GLN 2 HA GLN 2 2.048 -6.498 -4.220 3 HB2 GLN 2 1HB GLN 2 3.150 -6.288 -6.426 4 HB3 GLN 2 2HB GLN 2 2.595 -4.781 -5.705 5 HG2 GLN 2 1HG GLN 2 4.875 -4.148 -5.082 6 HG3 GLN 2 2HG GLN 2 5.518 -5.670 -5.697 7 HE21 GLN 2 HE21 GLN 2 5.365 -6.101 -8.017 8 HE22 GLN 2 HE22 GLN 2 5.319 -4.754 -9.135 No H/Q in entry = 8 Start of MODEL 15 1 H ARG 3 H ARG 3 2.481 -8.301 -2.839 2 HA ARG 3 HA ARG 3 4.985 -9.610 -2.677 3 HB2 ARG 3 1HB ARG 3 2.214 -10.780 -2.259 4 HB3 ARG 3 2HB ARG 3 3.741 -11.485 -1.712 5 HG2 ARG 3 1HG ARG 3 4.168 -9.447 -0.327 6 HG3 ARG 3 2HG ARG 3 2.584 -8.808 -0.819 7 HD2 ARG 3 1HD ARG 3 1.489 -10.811 0.157 8 HD3 ARG 3 2HD ARG 3 3.071 -11.378 0.733 9 HE ARG 3 HE ARG 3 2.773 -8.753 1.666 10 HH12 ARG 3 HH11 ARG 3 0.506 -11.446 3.700 11 HH11 ARG 3 HH12 ARG 3 1.081 -11.854 2.102 12 HH21 ARG 3 HH21 ARG 3 1.998 -8.242 3.749 13 HH22 ARG 3 HH22 ARG 3 1.028 -9.392 4.639 No H/Q in entry = 13 Start of MODEL 15 1 H THR 4 H THR 4 5.977 -11.108 -3.910 2 HA THR 4 HA THR 4 4.860 -11.748 -6.537 3 HB THR 4 HB THR 4 7.198 -12.695 -6.865 4 HG1 THR 4 HG1 THR 4 7.554 -13.120 -4.634 5 HG21 THR 4 HG21 THR 4 6.647 -10.352 -7.483 6 HG23 THR 4 HG22 THR 4 8.319 -10.532 -6.921 7 HG22 THR 4 HG23 THR 4 7.097 -9.822 -5.847 No H/Q in entry = 7 Start of MODEL 15 1 HA PRO 5 HA PRO 5 3.711 -15.965 -5.538 2 HB2 PRO 5 1HB PRO 5 4.670 -17.324 -7.784 3 HB3 PRO 5 2HB PRO 5 3.137 -16.409 -7.714 4 HG2 PRO 5 1HG PRO 5 5.830 -15.529 -8.765 5 HG3 PRO 5 2HG PRO 5 4.219 -15.272 -9.498 6 HD2 PRO 5 1HD PRO 5 5.436 -13.317 -8.121 7 HD3 PRO 5 2HD PRO 5 3.683 -13.586 -7.921 No H/Q in entry = 7 Start of MODEL 15 1 H LYS 6 H LYS 6 4.694 -17.307 -4.126 2 HA LYS 6 HA LYS 6 7.612 -17.616 -4.076 3 HB2 LYS 6 1HB LYS 6 6.118 -17.207 -2.059 4 HB3 LYS 6 2HB LYS 6 5.593 -18.886 -2.195 5 HG2 LYS 6 1HG LYS 6 8.495 -17.951 -1.892 6 HG3 LYS 6 2HG LYS 6 7.440 -18.423 -0.555 7 HD2 LYS 6 1HD LYS 6 7.205 -20.691 -1.541 8 HD3 LYS 6 2HD LYS 6 8.388 -20.252 -2.793 9 HE2 LYS 6 1HE LYS 6 10.086 -19.788 -1.084 10 HE3 LYS 6 2HE LYS 6 8.934 -20.219 0.197 11 HZ2 LYS 6 1HZ LYS 6 10.398 -22.014 -0.350 12 HZ1 LYS 6 2HZ LYS 6 9.881 -22.024 -1.916 13 HZ3 LYS 6 3HZ LYS 6 8.838 -22.414 -0.700 No H/Q in entry = 13 Start of MODEL 15 1 H ILE 7 H ILE 7 8.532 -19.179 -5.225 2 HA ILE 7 HA ILE 7 6.930 -21.087 -6.716 3 HB ILE 7 HB ILE 7 9.917 -20.474 -6.721 4 HG13 ILE 7 HG12 ILE 7 7.551 -19.235 -8.118 5 HG23 ILE 7 HG21 ILE 7 9.950 -21.612 -8.887 6 HG21 ILE 7 HG22 ILE 7 9.438 -22.722 -7.620 7 HG22 ILE 7 HG23 ILE 7 8.225 -22.016 -8.716 8 HD11 ILE 7 HD11 ILE 7 10.388 -18.260 -7.505 9 HD12 ILE 7 HD12 ILE 7 9.095 -17.288 -8.236 10 HD13 ILE 7 HD13 ILE 7 8.949 -17.844 -6.565 11 HG12 ILE 7 HG11 ILE 7 8.987 -19.531 -9.096 No H/Q in entry = 11 Start of MODEL 15 1 H GLN 8 H GLN 8 6.597 -23.156 -6.157 2 HA GLN 8 HA GLN 8 8.627 -24.716 -4.666 3 HB2 GLN 8 1HB GLN 8 5.737 -24.333 -3.813 4 HB3 GLN 8 2HB GLN 8 6.753 -25.681 -3.273 5 HG2 GLN 8 1HG GLN 8 8.320 -24.098 -2.228 6 HG3 GLN 8 2HG GLN 8 7.341 -22.734 -2.806 7 HE21 GLN 8 HE21 GLN 8 6.637 -25.874 -1.129 8 HE22 GLN 8 HE22 GLN 8 5.620 -25.158 0.102 No H/Q in entry = 8 Start of MODEL 15 1 H VAL 9 H VAL 9 8.880 -25.485 -6.897 2 HA VAL 9 HA VAL 9 6.687 -27.143 -7.982 3 HB VAL 9 HB VAL 9 9.353 -26.385 -9.123 4 HG11 VAL 9 HG11 VAL 9 6.930 -27.805 -10.287 5 HG12 VAL 9 HG12 VAL 9 8.197 -27.068 -11.297 6 HG13 VAL 9 HG13 VAL 9 8.591 -28.390 -10.200 7 HG21 VAL 9 HG21 VAL 9 6.576 -25.164 -9.404 8 HG22 VAL 9 HG22 VAL 9 8.069 -24.372 -8.892 9 HG23 VAL 9 HG23 VAL 9 7.870 -24.874 -10.578 No H/Q in entry = 9 Start of MODEL 15 1 H TYR 10 H TYR 10 6.789 -28.812 -6.438 2 HA TYR 10 HA TYR 10 9.099 -30.693 -6.576 3 HB2 TYR 10 1HB TYR 10 8.168 -31.750 -4.675 4 HB3 TYR 10 2HB TYR 10 8.405 -30.037 -4.415 5 HD1 TYR 10 HD1 TYR 10 5.995 -32.785 -4.505 6 HD2 TYR 10 HD2 TYR 10 6.410 -28.501 -4.240 7 HE1 TYR 10 HE1 TYR 10 3.692 -32.618 -3.615 8 HE2 TYR 10 HE2 TYR 10 4.109 -28.336 -3.347 9 HH TYR 10 HH TYR 10 2.013 -31.211 -2.893 No H/Q in entry = 9 Start of MODEL 15 1 H SER 11 H SER 11 8.702 -32.970 -7.110 2 HA SER 11 HA SER 11 6.158 -33.583 -8.491 3 HB2 SER 11 1HB SER 11 8.268 -34.289 -9.522 4 HB3 SER 11 2HB SER 11 8.518 -35.430 -8.178 5 HG SER 11 HG SER 11 6.205 -35.301 -9.821 No H/Q in entry = 5 Start of MODEL 15 1 H ARG 12 H ARG 12 4.583 -34.804 -7.499 2 HA ARG 12 HA ARG 12 4.591 -35.440 -4.715 3 HB2 ARG 12 1HB ARG 12 2.514 -35.082 -5.863 4 HB3 ARG 12 2HB ARG 12 2.875 -36.340 -7.054 5 HG2 ARG 12 1HG ARG 12 1.211 -37.111 -5.515 6 HG3 ARG 12 2HG ARG 12 2.670 -38.063 -5.249 7 HD2 ARG 12 1HD ARG 12 3.234 -36.752 -3.260 8 HD3 ARG 12 2HD ARG 12 1.913 -35.620 -3.568 9 HE ARG 12 HE ARG 12 1.780 -38.228 -2.311 10 HH12 ARG 12 HH11 ARG 12 -1.657 -36.478 -3.605 11 HH11 ARG 12 HH12 ARG 12 -0.125 -35.874 -4.183 12 HH21 ARG 12 HH21 ARG 12 -0.242 -39.003 -1.579 13 HH22 ARG 12 HH22 ARG 12 -1.724 -38.256 -2.128 No H/Q in entry = 13 Start of MODEL 15 1 H HIS 13 H HIS 13 4.933 -37.492 -7.649 2 HA HIS 13 HA HIS 13 5.679 -39.827 -6.026 3 HB2 HIS 13 1HB HIS 13 5.093 -39.399 -8.969 4 HB3 HIS 13 2HB HIS 13 5.532 -40.965 -8.276 5 HD1 HIS 13 HD1 HIS 13 3.786 -42.078 -6.612 6 HD2 HIS 13 HD2 HIS 13 2.459 -38.579 -8.492 7 HE1 HIS 13 HE1 HIS 13 1.267 -41.951 -6.287 No H/Q in entry = 7 Start of MODEL 15 1 HA PRO 14 HA PRO 14 10.030 -39.273 -6.839 2 HB2 PRO 14 1HB PRO 14 11.018 -41.800 -6.632 3 HB3 PRO 14 2HB PRO 14 10.318 -40.928 -5.236 4 HG2 PRO 14 1HG PRO 14 8.921 -42.942 -7.023 5 HG3 PRO 14 2HG PRO 14 8.993 -42.927 -5.237 6 HD2 PRO 14 1HD PRO 14 6.878 -41.879 -6.590 7 HD3 PRO 14 2HD PRO 14 7.494 -41.100 -5.106 No H/Q in entry = 7 Start of MODEL 15 1 H ALA 15 H ALA 15 11.108 -38.935 -8.676 2 HA ALA 15 HA ALA 15 9.947 -39.417 -11.162 3 HB2 ALA 15 1HB ALA 15 12.775 -38.543 -10.475 4 HB3 ALA 15 2HB ALA 15 11.978 -38.360 -12.054 5 HB1 ALA 15 3HB ALA 15 11.347 -37.505 -10.631 No H/Q in entry = 5 Start of MODEL 15 1 H GLU 16 H GLU 16 9.613 -41.618 -11.577 2 HA GLU 16 HA GLU 16 11.909 -43.439 -11.922 3 HB2 GLU 16 1HB GLU 16 8.914 -43.694 -12.303 4 HB3 GLU 16 2HB GLU 16 10.065 -44.954 -12.796 5 HG2 GLU 16 1HG GLU 16 10.872 -45.149 -10.481 6 HG3 GLU 16 2HG GLU 16 9.752 -43.881 -9.963 No H/Q in entry = 6 Start of MODEL 15 1 H ASN 17 H ASN 17 12.994 -43.590 -13.786 2 HA ASN 17 HA ASN 17 12.441 -41.963 -16.081 3 HB2 ASN 17 1HB ASN 17 14.709 -42.570 -15.467 4 HB3 ASN 17 2HB ASN 17 14.331 -44.294 -15.573 5 HD21 ASN 17 HD21 ASN 17 14.172 -41.307 -17.626 6 HD22 ASN 17 HD22 ASN 17 14.736 -42.098 -19.082 No H/Q in entry = 6 Start of MODEL 15 1 H GLY 18 H GLY 18 10.999 -42.366 -17.678 2 HA3 GLY 18 1HA GLY 18 9.642 -43.478 -19.157 3 HA2 GLY 18 2HA GLY 18 10.500 -44.983 -18.795 No H/Q in entry = 3 Start of MODEL 15 1 H LYS 19 H LYS 19 8.278 -42.620 -17.203 2 HA LYS 19 HA LYS 19 6.443 -44.742 -16.390 3 HB2 LYS 19 1HB LYS 19 8.510 -44.533 -14.716 4 HB3 LYS 19 2HB LYS 19 7.667 -43.088 -14.174 5 HG2 LYS 19 1HG LYS 19 6.708 -44.640 -12.762 6 HG3 LYS 19 2HG LYS 19 5.579 -44.825 -14.114 7 HD2 LYS 19 1HD LYS 19 6.905 -46.745 -14.966 8 HD3 LYS 19 2HD LYS 19 8.054 -46.542 -13.632 9 HE2 LYS 19 1HE LYS 19 6.491 -48.348 -13.131 10 HE3 LYS 19 2HE LYS 19 6.283 -47.012 -11.985 11 HZ1 LYS 19 1HZ LYS 19 4.602 -47.504 -14.342 12 HZ3 LYS 19 2HZ LYS 19 4.387 -46.308 -13.227 13 HZ2 LYS 19 3HZ LYS 19 4.205 -47.884 -12.786 No H/Q in entry = 13 Start of MODEL 15 1 H SER 20 H SER 20 5.459 -42.911 -14.170 2 HA SER 20 HA SER 20 4.474 -40.545 -15.590 3 HB2 SER 20 1HB SER 20 2.138 -41.097 -14.972 4 HB3 SER 20 2HB SER 20 2.811 -42.220 -16.169 5 HG SER 20 HG SER 20 1.701 -43.289 -14.479 No H/Q in entry = 5 Start of MODEL 15 1 H ASN 21 H ASN 21 4.374 -38.872 -14.220 2 HA ASN 21 HA ASN 21 4.423 -39.229 -11.277 3 HB2 ASN 21 1HB ASN 21 6.538 -37.863 -13.005 4 HB3 ASN 21 2HB ASN 21 6.412 -37.654 -11.256 5 HD21 ASN 21 HD21 ASN 21 6.951 -39.407 -9.847 6 HD22 ASN 21 HD22 ASN 21 7.845 -40.796 -10.419 No H/Q in entry = 6 Start of MODEL 15 1 H PHE 22 H PHE 22 3.526 -37.459 -10.215 2 HA PHE 22 HA PHE 22 2.146 -35.481 -11.932 3 HB2 PHE 22 1HB PHE 22 1.780 -36.409 -9.087 4 HB3 PHE 22 2HB PHE 22 0.984 -34.989 -9.742 5 HD1 PHE 22 HD1 PHE 22 -1.190 -35.257 -10.492 6 HD2 PHE 22 HD2 PHE 22 1.494 -38.633 -10.725 7 HE1 PHE 22 HE1 PHE 22 -3.031 -36.675 -11.334 8 HE2 PHE 22 HE2 PHE 22 -0.344 -40.027 -11.592 9 HZ PHE 22 HZ PHE 22 -2.614 -39.060 -11.894 No H/Q in entry = 9 Start of MODEL 15 1 H LEU 23 H LEU 23 2.894 -33.431 -12.115 2 HA LEU 23 HA LEU 23 5.040 -32.443 -10.395 3 HB2 LEU 23 1HB LEU 23 4.723 -31.953 -12.932 4 HB3 LEU 23 2HB LEU 23 3.412 -30.888 -12.434 5 HG LEU 23 HG LEU 23 5.051 -29.513 -11.151 6 HD13 LEU 23 HD11 LEU 23 6.780 -31.139 -10.546 7 HD12 LEU 23 HD12 LEU 23 7.499 -29.941 -11.617 8 HD11 LEU 23 HD13 LEU 23 7.064 -31.532 -12.259 9 HD23 LEU 23 HD21 LEU 23 6.230 -28.602 -13.122 10 HD22 LEU 23 HD22 LEU 23 4.538 -28.973 -13.496 11 HD21 LEU 23 HD23 LEU 23 5.827 -30.065 -14.042 No H/Q in entry = 11 Start of MODEL 15 1 H ASN 24 H ASN 24 4.778 -30.520 -9.014 2 HA ASN 24 HA ASN 24 1.990 -29.712 -8.353 3 HB2 ASN 24 1HB ASN 24 4.022 -30.912 -6.433 4 HB3 ASN 24 2HB ASN 24 2.653 -29.929 -5.935 5 HD21 ASN 24 HD21 ASN 24 3.551 -32.961 -7.637 6 HD22 ASN 24 HD22 ASN 24 2.027 -33.771 -7.353 No H/Q in entry = 6 Start of MODEL 15 1 H CYS 25 H CYS 25 2.650 -27.862 -9.547 2 HA CYS 25 HA CYS 25 4.670 -26.077 -8.390 3 HB2 CYS 25 1HB CYS 25 2.616 -25.682 -10.581 4 HB3 CYS 25 2HB CYS 25 3.862 -24.512 -10.117 No H/Q in entry = 4 Start of MODEL 15 1 H TYR 26 H TYR 26 4.031 -25.908 -6.281 2 HA TYR 26 HA TYR 26 1.367 -24.948 -5.516 3 HB2 TYR 26 1HB TYR 26 2.525 -26.640 -4.216 4 HB3 TYR 26 2HB TYR 26 3.891 -25.581 -3.955 5 HD1 TYR 26 HD1 TYR 26 0.309 -26.179 -3.158 6 HD2 TYR 26 HD2 TYR 26 3.833 -23.903 -2.186 7 HE1 TYR 26 HE1 TYR 26 -0.668 -25.597 -0.962 8 HE2 TYR 26 HE2 TYR 26 2.818 -23.243 -0.030 9 HH TYR 26 HH TYR 26 -0.479 -24.293 0.926 No H/Q in entry = 9 Start of MODEL 15 1 H VAL 27 H VAL 27 1.324 -22.936 -6.648 2 HA VAL 27 HA VAL 27 3.525 -21.013 -6.213 3 HB VAL 27 HB VAL 27 1.129 -20.966 -8.083 4 HG12 VAL 27 HG11 VAL 27 2.435 -19.169 -9.207 5 HG13 VAL 27 HG12 VAL 27 1.956 -18.679 -7.573 6 HG11 VAL 27 HG13 VAL 27 3.618 -19.234 -7.888 7 HG22 VAL 27 HG21 VAL 27 2.709 -22.749 -8.698 8 HG23 VAL 27 HG22 VAL 27 2.916 -21.396 -9.809 9 HG21 VAL 27 HG23 VAL 27 4.083 -21.644 -8.501 No H/Q in entry = 9 Start of MODEL 15 1 H SER 28 H SER 28 3.215 -20.368 -4.081 2 HA SER 28 HA SER 28 0.551 -19.446 -3.226 3 HB2 SER 28 1HB SER 28 1.428 -19.792 -0.986 4 HB3 SER 28 2HB SER 28 1.587 -21.233 -2.011 5 HG SER 28 HG SER 28 3.474 -20.772 -0.798 No H/Q in entry = 5 Start of MODEL 15 1 H GLY 29 H GLY 29 0.070 -17.432 -2.521 2 HA3 GLY 29 1HA GLY 29 0.336 -15.488 -1.396 3 HA2 GLY 29 2HA GLY 29 2.059 -15.809 -1.236 No H/Q in entry = 3 Start of MODEL 15 1 H PHE 30 H PHE 30 0.147 -15.406 -4.249 2 HA PHE 30 HA PHE 30 1.892 -13.169 -5.071 3 HB2 PHE 30 1HB PHE 30 0.946 -13.542 -7.270 4 HB3 PHE 30 2HB PHE 30 1.804 -14.898 -6.576 5 HD1 PHE 30 HD1 PHE 30 0.601 -16.973 -5.905 6 HD2 PHE 30 HD2 PHE 30 -1.421 -13.687 -7.829 7 HE1 PHE 30 HE1 PHE 30 -1.433 -18.369 -6.182 8 HE2 PHE 30 HE2 PHE 30 -3.463 -15.092 -8.054 9 HZ PHE 30 HZ PHE 30 -3.504 -17.360 -7.146 No H/Q in entry = 9 Start of MODEL 15 1 H HIS 31 H HIS 31 1.185 -11.219 -4.466 2 HA HIS 31 HA HIS 31 -1.695 -10.500 -4.573 3 HB2 HIS 31 1HB HIS 31 0.620 -9.327 -3.087 4 HB3 HIS 31 2HB HIS 31 -0.949 -8.547 -3.255 5 HD1 HIS 31 HD1 HIS 31 -2.888 -9.316 -1.898 6 HD2 HIS 31 HD2 HIS 31 0.316 -12.009 -1.763 7 HE1 HIS 31 HE1 HIS 31 -3.471 -11.088 -0.193 No H/Q in entry = 7 Start of MODEL 15 1 HA PRO 32 HA PRO 32 -3.197 -9.159 -5.422 2 HB2 PRO 32 1HB PRO 32 -4.531 -8.425 -7.644 3 HB3 PRO 32 2HB PRO 32 -3.741 -7.216 -6.598 4 HG2 PRO 32 1HG PRO 32 -2.569 -8.501 -9.088 5 HG3 PRO 32 2HG PRO 32 -2.774 -6.748 -8.781 6 HD2 PRO 32 1HD PRO 32 -0.428 -8.015 -8.240 7 HD3 PRO 32 2HD PRO 32 -1.059 -6.777 -7.116 No H/Q in entry = 7 Start of MODEL 15 1 H SER 33 H SER 33 -5.034 -10.426 -6.901 2 HA SER 33 HA SER 33 -3.851 -13.044 -7.112 3 HB2 SER 33 1HB SER 33 -6.187 -13.803 -7.216 4 HB3 SER 33 2HB SER 33 -5.916 -12.657 -5.897 5 HG SER 33 HG SER 33 -7.024 -12.047 -8.436 No H/Q in entry = 5 Start of MODEL 15 1 H ASP 34 H ASP 34 -3.196 -11.139 -9.402 2 HA ASP 34 HA ASP 34 -4.711 -12.271 -11.678 3 HB2 ASP 34 1HB ASP 34 -2.842 -9.901 -11.411 4 HB3 ASP 34 2HB ASP 34 -3.709 -10.363 -12.885 No H/Q in entry = 4 Start of MODEL 15 1 H ILE 35 H ILE 35 -3.261 -14.337 -10.985 2 HA ILE 35 HA ILE 35 -0.668 -14.265 -12.383 3 HB ILE 35 HB ILE 35 -0.923 -15.043 -10.045 4 HG13 ILE 35 HG12 ILE 35 1.015 -15.500 -11.622 5 HG21 ILE 35 HG21 ILE 35 -2.995 -16.445 -10.407 6 HG22 ILE 35 HG22 ILE 35 -2.021 -17.585 -11.354 7 HG23 ILE 35 HG23 ILE 35 -1.682 -17.349 -9.640 8 HD11 ILE 35 HD11 ILE 35 1.155 -15.805 -9.190 9 HD12 ILE 35 HD12 ILE 35 0.553 -17.472 -9.356 10 HD13 ILE 35 HD13 ILE 35 2.102 -17.003 -10.081 11 HG12 ILE 35 HG11 ILE 35 0.354 -17.128 -11.823 No H/Q in entry = 11 Start of MODEL 15 1 H GLU 36 H GLU 36 -0.016 -16.025 -13.813 2 HA GLU 36 HA GLU 36 -2.105 -17.768 -14.980 3 HB2 GLU 36 1HB GLU 36 -0.195 -16.054 -16.583 4 HB3 GLU 36 2HB GLU 36 -1.314 -17.261 -17.227 5 HG2 GLU 36 1HG GLU 36 -3.233 -15.898 -16.403 6 HG3 GLU 36 2HG GLU 36 -2.095 -14.662 -15.828 No H/Q in entry = 6 Start of MODEL 15 1 H VAL 37 H VAL 37 -1.108 -19.457 -13.885 2 HA VAL 37 HA VAL 37 1.737 -20.091 -14.384 3 HB VAL 37 HB VAL 37 -0.330 -21.603 -12.803 4 HG12 VAL 37 HG11 VAL 37 1.673 -22.619 -11.710 5 HG13 VAL 37 HG12 VAL 37 1.641 -22.994 -13.434 6 HG11 VAL 37 HG13 VAL 37 2.724 -21.729 -12.827 7 HG23 VAL 37 HG21 VAL 37 0.946 -20.546 -10.832 8 HG21 VAL 37 HG22 VAL 37 1.651 -19.428 -12.008 9 HG22 VAL 37 HG23 VAL 37 -0.109 -19.460 -11.739 No H/Q in entry = 9 Start of MODEL 15 1 H ASP 38 H ASP 38 1.249 -20.142 -16.700 2 HA ASP 38 HA ASP 38 -0.290 -22.432 -17.767 3 HB2 ASP 38 1HB ASP 38 -0.549 -20.222 -18.784 4 HB3 ASP 38 2HB ASP 38 1.188 -20.141 -19.092 No H/Q in entry = 4 Start of MODEL 15 1 H LEU 39 H LEU 39 1.252 -23.954 -16.653 2 HA LEU 39 HA LEU 39 3.994 -24.001 -17.310 3 HB2 LEU 39 1HB LEU 39 4.069 -26.135 -16.233 4 HB3 LEU 39 2HB LEU 39 2.957 -25.068 -15.380 5 HG LEU 39 HG LEU 39 1.303 -26.430 -17.213 6 HD11 LEU 39 HD11 LEU 39 3.307 -28.358 -15.938 7 HD13 LEU 39 HD12 LEU 39 3.141 -28.031 -17.678 8 HD12 LEU 39 HD13 LEU 39 1.828 -28.824 -16.786 9 HD22 LEU 39 HD21 LEU 39 0.705 -25.854 -14.894 10 HD21 LEU 39 HD22 LEU 39 1.902 -27.010 -14.268 11 HD23 LEU 39 HD23 LEU 39 0.480 -27.597 -15.145 No H/Q in entry = 11 Start of MODEL 15 1 H LEU 40 H LEU 40 5.189 -25.578 -18.432 2 HA LEU 40 HA LEU 40 3.931 -26.628 -20.924 3 HB2 LEU 40 1HB LEU 40 6.556 -25.101 -20.777 4 HB3 LEU 40 2HB LEU 40 5.789 -25.737 -22.233 5 HG LEU 40 HG LEU 40 4.713 -23.467 -20.495 6 HD13 LEU 40 HD11 LEU 40 6.728 -22.826 -21.699 7 HD12 LEU 40 HD12 LEU 40 5.322 -22.074 -22.477 8 HD11 LEU 40 HD13 LEU 40 6.084 -23.495 -23.213 9 HD23 LEU 40 HD21 LEU 40 3.714 -24.409 -23.219 10 HD22 LEU 40 HD22 LEU 40 3.061 -23.087 -22.225 11 HD21 LEU 40 HD23 LEU 40 2.882 -24.756 -21.702 No H/Q in entry = 11 Start of MODEL 15 1 H LYS 41 H LYS 41 5.327 -28.139 -22.057 2 HA LYS 41 HA LYS 41 7.304 -29.591 -20.381 3 HB2 LYS 41 1HB LYS 41 6.248 -31.730 -21.149 4 HB3 LYS 41 2HB LYS 41 5.372 -30.810 -19.915 5 HG2 LYS 41 1HG LYS 41 3.789 -29.967 -21.593 6 HG3 LYS 41 2HG LYS 41 4.639 -30.879 -22.859 7 HD2 LYS 41 1HD LYS 41 4.144 -32.996 -21.724 8 HD3 LYS 41 2HD LYS 41 3.371 -32.123 -20.388 9 HE2 LYS 41 1HE LYS 41 1.708 -33.069 -21.946 10 HE3 LYS 41 2HE LYS 41 1.603 -31.307 -21.872 11 HZ1 LYS 41 1HZ LYS 41 2.937 -32.839 -23.989 12 HZ3 LYS 41 2HZ LYS 41 2.813 -31.194 -23.916 13 HZ2 LYS 41 3HZ LYS 41 1.455 -32.112 -24.080 No H/Q in entry = 13 Start of MODEL 15 1 H ASN 42 H ASN 42 9.091 -29.270 -21.528 2 HA ASN 42 HA ASN 42 10.534 -28.994 -23.237 3 HB2 ASN 42 1HB ASN 42 8.814 -31.037 -24.707 4 HB3 ASN 42 2HB ASN 42 10.472 -30.569 -25.092 5 HD21 ASN 42 HD21 ASN 42 8.415 -32.284 -22.767 6 HD22 ASN 42 HD22 ASN 42 9.707 -33.152 -21.971 No H/Q in entry = 6 Start of MODEL 15 1 H GLY 43 H GLY 43 8.561 -27.056 -22.976 2 HA3 GLY 43 1HA GLY 43 8.078 -25.122 -24.089 3 HA2 GLY 43 2HA GLY 43 8.626 -25.813 -25.615 No H/Q in entry = 3 Start of MODEL 15 1 H GLU 44 H GLU 44 6.610 -28.223 -24.895 2 HA GLU 44 HA GLU 44 4.600 -27.270 -26.678 3 HB2 GLU 44 1HB GLU 44 4.522 -29.710 -24.869 4 HB3 GLU 44 2HB GLU 44 3.537 -29.425 -26.304 5 HG2 GLU 44 1HG GLU 44 5.588 -29.443 -27.712 6 HG3 GLU 44 2HG GLU 44 6.562 -29.826 -26.283 No H/Q in entry = 6 Start of MODEL 15 1 H ARG 45 H ARG 45 2.329 -27.043 -26.308 2 HA ARG 45 HA ARG 45 1.542 -25.720 -23.895 3 HB2 ARG 45 1HB ARG 45 -0.625 -25.594 -24.837 4 HB3 ARG 45 2HB ARG 45 0.516 -25.376 -26.172 5 HG2 ARG 45 1HG ARG 45 0.180 -27.799 -26.786 6 HG3 ARG 45 2HG ARG 45 -1.005 -27.931 -25.469 7 HD2 ARG 45 1HD ARG 45 -2.385 -26.171 -26.518 8 HD3 ARG 45 2HD ARG 45 -1.257 -26.133 -27.894 9 HE ARG 45 HE ARG 45 -2.067 -28.817 -27.435 10 HH12 ARG 45 HH11 ARG 45 -4.706 -26.567 -29.550 11 HH11 ARG 45 HH12 ARG 45 -3.492 -25.765 -28.583 12 HH21 ARG 45 HH21 ARG 45 -3.659 -29.832 -28.706 13 HH22 ARG 45 HH22 ARG 45 -4.801 -28.878 -29.624 No H/Q in entry = 13 Start of MODEL 15 1 H ILE 46 H ILE 46 0.077 -26.442 -22.294 2 HA ILE 46 HA ILE 46 0.396 -29.280 -21.643 3 HB ILE 46 HB ILE 46 1.025 -27.531 -20.040 4 HG13 ILE 46 HG12 ILE 46 -1.290 -29.239 -19.039 5 HG23 ILE 46 HG21 ILE 46 -0.589 -26.178 -18.862 6 HG21 ILE 46 HG22 ILE 46 -0.739 -25.832 -20.582 7 HG22 ILE 46 HG23 ILE 46 -1.936 -26.872 -19.781 8 HD13 ILE 46 HD11 ILE 46 0.340 -30.772 -19.928 9 HD11 ILE 46 HD12 ILE 46 1.702 -29.748 -19.406 10 HD12 ILE 46 HD13 ILE 46 0.729 -30.618 -18.216 11 HG12 ILE 46 HG11 ILE 46 -0.069 -28.422 -18.063 No H/Q in entry = 11 Start of MODEL 15 1 H GLU 47 H GLU 47 -1.215 -30.740 -21.421 2 HA GLU 47 HA GLU 47 -3.882 -30.099 -22.500 3 HB2 GLU 47 1HB GLU 47 -2.398 -32.674 -21.886 4 HB3 GLU 47 2HB GLU 47 -4.120 -32.618 -22.284 5 HG2 GLU 47 1HG GLU 47 -2.853 -33.118 -24.279 6 HG3 GLU 47 2HG GLU 47 -3.686 -31.568 -24.432 No H/Q in entry = 6 Start of MODEL 15 1 H LYS 48 H LYS 48 -4.361 -28.762 -20.666 2 HA LYS 48 HA LYS 48 -5.734 -28.312 -19.003 3 HB2 LYS 48 1HB LYS 48 -7.141 -30.128 -19.837 4 HB3 LYS 48 2HB LYS 48 -6.286 -31.298 -18.837 5 HG2 LYS 48 1HG LYS 48 -8.413 -30.673 -17.836 6 HG3 LYS 48 2HG LYS 48 -7.051 -30.288 -16.790 7 HD2 LYS 48 1HD LYS 48 -8.753 -28.545 -16.730 8 HD3 LYS 48 2HD LYS 48 -7.239 -27.895 -17.357 9 HE2 LYS 48 1HE LYS 48 -8.118 -28.021 -19.669 10 HE3 LYS 48 2HE LYS 48 -9.602 -28.795 -19.073 11 HZ1 LYS 48 1HZ LYS 48 -10.053 -26.803 -17.839 12 HZ3 LYS 48 2HZ LYS 48 -9.894 -26.471 -19.447 13 HZ2 LYS 48 3HZ LYS 48 -8.676 -26.093 -18.401 No H/Q in entry = 13 Start of MODEL 15 1 H VAL 49 H VAL 49 -4.742 -27.420 -17.349 2 HA VAL 49 HA VAL 49 -3.120 -28.942 -15.421 3 HB VAL 49 HB VAL 49 -3.967 -26.011 -15.462 4 HG12 VAL 49 HG11 VAL 49 -1.963 -25.760 -13.980 5 HG13 VAL 49 HG12 VAL 49 -3.260 -26.702 -13.235 6 HG11 VAL 49 HG13 VAL 49 -1.832 -27.528 -13.894 7 HG22 VAL 49 HG21 VAL 49 -2.669 -26.451 -17.471 8 HG23 VAL 49 HG22 VAL 49 -1.651 -25.595 -16.312 9 HG21 VAL 49 HG23 VAL 49 -1.456 -27.348 -16.532 No H/Q in entry = 9 Start of MODEL 15 1 H GLU 50 H GLU 50 -3.897 -29.532 -13.378 2 HA GLU 50 HA GLU 50 -6.727 -28.863 -12.673 3 HB2 GLU 50 1HB GLU 50 -4.832 -30.983 -11.624 4 HB3 GLU 50 2HB GLU 50 -6.445 -30.622 -10.974 5 HG2 GLU 50 1HG GLU 50 -7.422 -31.175 -13.219 6 HG3 GLU 50 2HG GLU 50 -5.803 -31.637 -13.777 No H/Q in entry = 6 Start of MODEL 15 1 H HIS 51 H HIS 51 -7.079 -27.491 -11.020 2 HA HIS 51 HA HIS 51 -4.759 -26.436 -9.457 3 HB2 HIS 51 1HB HIS 51 -5.740 -24.234 -9.680 4 HB3 HIS 51 2HB HIS 51 -5.340 -24.925 -11.251 5 HD1 HIS 51 HD1 HIS 51 -8.290 -23.897 -9.116 6 HD2 HIS 51 HD2 HIS 51 -7.552 -25.464 -12.934 7 HE1 HIS 51 HE1 HIS 51 -10.450 -23.713 -10.444 No H/Q in entry = 7 Start of MODEL 15 1 H SER 52 H SER 52 -5.169 -25.803 -7.329 2 HA SER 52 HA SER 52 -7.431 -27.186 -6.058 3 HB2 SER 52 1HB SER 52 -5.088 -27.433 -5.280 4 HB3 SER 52 2HB SER 52 -5.082 -25.716 -4.809 5 HG SER 52 HG SER 52 -6.896 -26.261 -3.459 No H/Q in entry = 5 Start of MODEL 15 1 H ASP 53 H ASP 53 -7.532 -24.380 -7.559 2 HA ASP 53 HA ASP 53 -8.751 -22.526 -7.457 3 HB2 ASP 53 1HB ASP 53 -10.093 -23.624 -4.954 4 HB3 ASP 53 2HB ASP 53 -10.687 -22.361 -6.025 No H/Q in entry = 4 Start of MODEL 15 1 H LEU 54 H LEU 54 -9.366 -20.577 -6.050 2 HA LEU 54 HA LEU 54 -6.891 -19.551 -5.035 3 HB2 LEU 54 1HB LEU 54 -8.664 -18.342 -6.425 4 HB3 LEU 54 2HB LEU 54 -9.647 -18.266 -4.970 5 HG LEU 54 HG LEU 54 -7.447 -17.202 -3.904 6 HD11 LEU 54 HD11 LEU 54 -7.085 -16.638 -6.894 7 HD13 LEU 54 HD12 LEU 54 -5.995 -17.603 -5.883 8 HD12 LEU 54 HD13 LEU 54 -6.172 -15.867 -5.585 9 HD22 LEU 54 HD21 LEU 54 -9.578 -15.996 -4.165 10 HD21 LEU 54 HD22 LEU 54 -9.217 -15.684 -5.876 11 HD23 LEU 54 HD23 LEU 54 -8.217 -14.947 -4.604 No H/Q in entry = 11 Start of MODEL 15 1 H SER 55 H SER 55 -6.523 -20.971 -3.249 2 HA SER 55 HA SER 55 -8.448 -21.061 -1.037 3 HB2 SER 55 1HB SER 55 -5.798 -22.492 -1.425 4 HB3 SER 55 2HB SER 55 -7.019 -22.829 -0.176 5 HG SER 55 HG SER 55 -7.187 -24.204 -2.012 No H/Q in entry = 5 Start of MODEL 15 1 H PHE 56 H PHE 56 -8.280 -19.925 0.788 2 HA PHE 56 HA PHE 56 -6.160 -17.918 1.037 3 HB2 PHE 56 1HB PHE 56 -8.723 -18.390 2.597 4 HB3 PHE 56 2HB PHE 56 -7.678 -16.983 2.715 5 HD1 PHE 56 HD1 PHE 56 -10.342 -18.606 0.823 6 HD2 PHE 56 HD2 PHE 56 -7.408 -15.447 0.700 7 HE1 PHE 56 HE1 PHE 56 -11.534 -17.569 -1.085 8 HE2 PHE 56 HE2 PHE 56 -8.638 -14.389 -1.181 9 HZ PHE 56 HZ PHE 56 -10.707 -15.439 -2.062 No H/Q in entry = 9 Start of MODEL 15 1 H SER 57 H SER 57 -4.340 -18.429 2.168 2 HA SER 57 HA SER 57 -4.202 -20.514 4.152 3 HB2 SER 57 1HB SER 57 -1.943 -19.569 4.584 4 HB3 SER 57 2HB SER 57 -2.247 -19.939 2.879 5 HG SER 57 HG SER 57 -2.421 -17.383 4.092 No H/Q in entry = 5 Start of MODEL 15 1 H LYS 58 H LYS 58 -4.403 -16.937 4.317 2 HA LYS 58 HA LYS 58 -5.846 -17.070 6.828 3 HB2 LYS 58 1HB LYS 58 -4.271 -15.654 8.103 4 HB3 LYS 58 2HB LYS 58 -3.614 -17.248 7.739 5 HG2 LYS 58 1HG LYS 58 -2.266 -16.306 5.885 6 HG3 LYS 58 2HG LYS 58 -2.913 -14.690 6.224 7 HD2 LYS 58 1HD LYS 58 -1.967 -14.817 8.525 8 HD3 LYS 58 2HD LYS 58 -1.306 -16.422 8.149 9 HE2 LYS 58 1HE LYS 58 0.041 -15.421 6.305 10 HE3 LYS 58 2HE LYS 58 -0.597 -13.817 6.724 11 HZ1 LYS 58 1HZ LYS 58 0.976 -15.545 8.500 12 HZ3 LYS 58 2HZ LYS 58 0.404 -14.044 8.870 13 HZ2 LYS 58 3HZ LYS 58 1.544 -14.225 7.691 No H/Q in entry = 13 Start of MODEL 15 1 H ASP 59 H ASP 59 -6.596 -16.324 4.303 2 HA ASP 59 HA ASP 59 -7.393 -14.721 2.966 3 HB2 ASP 59 1HB ASP 59 -8.937 -14.617 4.908 4 HB3 ASP 59 2HB ASP 59 -7.995 -13.273 5.569 No H/Q in entry = 4 Start of MODEL 15 1 H GLY 60 H GLY 60 -4.829 -14.600 2.698 2 HA3 GLY 60 1HA GLY 60 -4.297 -12.068 1.707 3 HA2 GLY 60 2HA GLY 60 -3.594 -12.072 3.335 No H/Q in entry = 3 Start of MODEL 15 1 H SER 61 H SER 61 -3.864 -14.717 0.971 2 HA SER 61 HA SER 61 -1.526 -14.654 -0.390 3 HB2 SER 61 1HB SER 61 -1.061 -15.892 2.326 4 HB3 SER 61 2HB SER 61 -0.339 -16.672 0.908 5 HG SER 61 HG SER 61 -0.015 -13.949 1.571 No H/Q in entry = 5 Start of MODEL 15 1 H PHE 62 H PHE 62 -2.161 -15.830 -2.048 2 HA PHE 62 HA PHE 62 -4.332 -17.784 -1.665 3 HB2 PHE 62 1HB PHE 62 -3.416 -16.558 -4.256 4 HB3 PHE 62 2HB PHE 62 -4.987 -17.220 -3.816 5 HD1 PHE 62 HD1 PHE 62 -3.562 -14.274 -4.718 6 HD2 PHE 62 HD2 PHE 62 -5.781 -15.878 -1.384 7 HE1 PHE 62 HE1 PHE 62 -4.072 -11.981 -3.949 8 HE2 PHE 62 HE2 PHE 62 -6.276 -13.576 -0.614 9 HZ PHE 62 HZ PHE 62 -5.455 -11.626 -1.912 No H/Q in entry = 9 Start of MODEL 15 1 H TYR 63 H TYR 63 -3.644 -19.916 -1.573 2 HA TYR 63 HA TYR 63 -1.269 -20.714 -3.145 3 HB2 TYR 63 1HB TYR 63 -1.001 -22.488 -1.711 4 HB3 TYR 63 2HB TYR 63 -1.189 -20.995 -0.809 5 HD1 TYR 63 HD1 TYR 63 -2.613 -24.322 -1.501 6 HD2 TYR 63 HD2 TYR 63 -3.149 -20.631 0.665 7 HE1 TYR 63 HE1 TYR 63 -4.234 -25.438 -0.003 8 HE2 TYR 63 HE2 TYR 63 -4.797 -21.754 2.144 9 HH TYR 63 HH TYR 63 -5.908 -23.701 2.645 No H/Q in entry = 9 Start of MODEL 15 1 H LEU 64 H LEU 64 -1.796 -21.315 -5.179 2 HA LEU 64 HA LEU 64 -3.899 -23.377 -5.636 3 HB2 LEU 64 1HB LEU 64 -2.347 -21.545 -7.419 4 HB3 LEU 64 2HB LEU 64 -3.348 -22.879 -8.019 5 HG LEU 64 HG LEU 64 -4.923 -21.450 -6.084 6 HD11 LEU 64 HD11 LEU 64 -3.585 -19.629 -8.092 7 HD13 LEU 64 HD12 LEU 64 -3.513 -19.555 -6.312 8 HD12 LEU 64 HD13 LEU 64 -5.043 -19.238 -7.159 9 HD23 LEU 64 HD21 LEU 64 -6.387 -21.023 -8.039 10 HD22 LEU 64 HD22 LEU 64 -5.844 -22.707 -7.955 11 HD21 LEU 64 HD23 LEU 64 -5.098 -21.589 -9.121 No H/Q in entry = 11 Start of MODEL 15 1 H LEU 65 H LEU 65 -3.355 -25.452 -6.008 2 HA LEU 65 HA LEU 65 -0.535 -26.285 -6.389 3 HB2 LEU 65 1HB LEU 65 -2.064 -27.285 -4.596 4 HB3 LEU 65 2HB LEU 65 -3.033 -27.945 -5.906 5 HG LEU 65 HG LEU 65 -0.854 -29.091 -6.725 6 HD13 LEU 65 HD11 LEU 65 0.771 -27.846 -5.344 7 HD12 LEU 65 HD12 LEU 65 0.755 -29.550 -4.862 8 HD11 LEU 65 HD13 LEU 65 -0.074 -28.360 -3.862 9 HD21 LEU 65 HD21 LEU 65 -2.103 -29.866 -4.044 10 HD23 LEU 65 HD22 LEU 65 -1.207 -30.957 -5.117 11 HD22 LEU 65 HD23 LEU 65 -2.755 -30.282 -5.640 No H/Q in entry = 11 Start of MODEL 15 1 H TYR 66 H TYR 66 -0.261 -25.659 -8.583 2 HA TYR 66 HA TYR 66 -2.243 -26.412 -10.619 3 HB2 TYR 66 1HB TYR 66 0.446 -25.024 -10.731 4 HB3 TYR 66 2HB TYR 66 -0.552 -25.354 -12.137 5 HD1 TYR 66 HD1 TYR 66 -2.927 -24.361 -12.234 6 HD2 TYR 66 HD2 TYR 66 0.055 -23.060 -9.404 7 HE1 TYR 66 HE1 TYR 66 -4.010 -22.139 -12.114 8 HE2 TYR 66 HE2 TYR 66 -1.012 -20.825 -9.320 9 HH TYR 66 HH TYR 66 -2.696 -19.479 -10.103 No H/Q in entry = 9 Start of MODEL 15 1 H TYR 67 H TYR 67 -2.121 -28.762 -10.165 2 HA TYR 67 HA TYR 67 0.427 -30.059 -10.834 3 HB2 TYR 67 1HB TYR 67 -0.455 -32.037 -9.850 4 HB3 TYR 67 2HB TYR 67 -0.582 -30.673 -8.754 5 HD1 TYR 67 HD1 TYR 67 -2.789 -29.899 -8.019 6 HD2 TYR 67 HD2 TYR 67 -2.365 -33.227 -10.708 7 HE1 TYR 67 HE1 TYR 67 -5.163 -30.498 -7.636 8 HE2 TYR 67 HE2 TYR 67 -4.697 -33.905 -10.235 9 HH TYR 67 HH TYR 67 -6.702 -33.282 -9.287 No H/Q in entry = 9 Start of MODEL 15 1 H THR 68 H THR 68 0.816 -30.779 -12.850 2 HA THR 68 HA THR 68 -1.343 -31.967 -14.489 3 HB THR 68 HB THR 68 0.177 -30.506 -15.587 4 HG1 THR 68 HG1 THR 68 -0.711 -32.383 -16.608 5 HG23 THR 68 HG21 THR 68 2.252 -30.734 -14.358 6 HG22 THR 68 HG22 THR 68 2.529 -31.207 -16.037 7 HG21 THR 68 HG23 THR 68 2.380 -32.458 -14.789 No H/Q in entry = 7 Start of MODEL 15 1 H GLU 69 H GLU 69 -0.288 -34.080 -15.633 2 HA GLU 69 HA GLU 69 0.692 -36.030 -13.601 3 HB2 GLU 69 1HB GLU 69 -0.851 -37.670 -14.582 4 HB3 GLU 69 2HB GLU 69 -1.668 -36.344 -13.761 5 HG2 GLU 69 1HG GLU 69 -1.384 -36.491 -16.793 6 HG3 GLU 69 2HG GLU 69 -2.758 -37.095 -15.872 No H/Q in entry = 6 Start of MODEL 15 1 H PHE 70 H PHE 70 2.597 -34.904 -14.923 2 HA PHE 70 HA PHE 70 2.927 -35.495 -17.628 3 HB2 PHE 70 1HB PHE 70 5.116 -34.679 -17.420 4 HB3 PHE 70 2HB PHE 70 4.069 -33.681 -16.426 5 HD1 PHE 70 HD1 PHE 70 6.990 -35.888 -16.492 6 HD2 PHE 70 HD2 PHE 70 4.180 -33.933 -13.892 7 HE1 PHE 70 HE1 PHE 70 8.633 -35.994 -14.629 8 HE2 PHE 70 HE2 PHE 70 5.821 -34.124 -12.010 9 HZ PHE 70 HZ PHE 70 8.010 -35.171 -12.379 No H/Q in entry = 9 Start of MODEL 15 1 H THR 71 H THR 71 4.209 -36.886 -18.799 2 HA THR 71 HA THR 71 4.910 -39.480 -17.559 3 HB THR 71 HB THR 71 4.515 -38.772 -20.460 4 HG1 THR 71 HG1 THR 71 2.721 -39.735 -18.497 5 HG23 THR 71 HG21 THR 71 4.263 -41.154 -20.748 6 HG22 THR 71 HG22 THR 71 4.275 -41.439 -19.006 7 HG21 THR 71 HG23 THR 71 5.769 -40.942 -19.833 No H/Q in entry = 7 Start of MODEL 15 1 HA PRO 72 HA PRO 72 9.070 -37.573 -18.553 2 HB2 PRO 72 1HB PRO 72 10.565 -38.554 -16.506 3 HB3 PRO 72 2HB PRO 72 9.454 -37.174 -16.337 4 HG2 PRO 72 1HG PRO 72 8.939 -40.060 -15.586 5 HG3 PRO 72 2HG PRO 72 8.604 -38.593 -14.625 6 HD2 PRO 72 1HD PRO 72 6.712 -39.887 -16.153 7 HD3 PRO 72 2HD PRO 72 6.666 -38.136 -15.861 No H/Q in entry = 7 Start of MODEL 15 1 H THR 73 H THR 73 9.373 -38.738 -20.452 2 HA THR 73 HA THR 73 9.736 -41.596 -20.480 3 HB THR 73 HB THR 73 10.289 -39.573 -22.684 4 HG1 THR 73 HG1 THR 73 7.963 -41.025 -21.971 5 HG21 THR 73 HG21 THR 73 9.723 -42.571 -22.732 6 HG23 THR 73 HG22 THR 73 11.278 -41.799 -23.116 7 HG22 THR 73 HG23 THR 73 9.870 -41.516 -24.153 No H/Q in entry = 7 Start of MODEL 15 1 H GLU 74 H GLU 74 11.970 -38.873 -21.295 2 HA GLU 74 HA GLU 74 14.099 -40.035 -19.741 3 HB2 GLU 74 1HB GLU 74 14.370 -41.442 -21.704 4 HB3 GLU 74 2HB GLU 74 14.343 -40.046 -22.782 5 HG2 GLU 74 1HG GLU 74 16.618 -40.928 -22.428 6 HG3 GLU 74 2HG GLU 74 16.496 -39.263 -21.870 No H/Q in entry = 6 Start of MODEL 15 1 H LYS 75 H LYS 75 14.391 -37.955 -22.648 2 HA LYS 75 HA LYS 75 15.704 -35.948 -20.962 3 HB2 LYS 75 1HB LYS 75 16.574 -36.923 -23.149 4 HB3 LYS 75 2HB LYS 75 15.357 -35.945 -23.979 5 HG2 LYS 75 1HG LYS 75 16.405 -33.887 -22.956 6 HG3 LYS 75 2HG LYS 75 17.575 -34.936 -22.133 7 HD2 LYS 75 1HD LYS 75 18.363 -35.764 -24.359 8 HD3 LYS 75 2HD LYS 75 17.179 -34.710 -25.152 9 HE2 LYS 75 1HE LYS 75 19.339 -33.641 -25.243 10 HE3 LYS 75 2HE LYS 75 18.312 -32.718 -24.132 11 HZ3 LYS 75 1HZ LYS 75 19.411 -33.827 -22.319 12 HZ2 LYS 75 2HZ LYS 75 20.514 -33.064 -23.277 13 HZ1 LYS 75 3HZ LYS 75 20.341 -34.701 -23.363 No H/Q in entry = 13 Start of MODEL 15 1 H ASP 76 H ASP 76 13.056 -36.040 -20.274 2 HA ASP 76 HA ASP 76 11.586 -33.980 -21.776 3 HB2 ASP 76 1HB ASP 76 10.781 -35.899 -19.578 4 HB3 ASP 76 2HB ASP 76 9.731 -34.680 -20.331 No H/Q in entry = 4 Start of MODEL 15 1 H GLU 77 H GLU 77 11.796 -31.880 -21.125 2 HA GLU 77 HA GLU 77 12.495 -31.303 -18.291 3 HB2 GLU 77 1HB GLU 77 13.493 -29.335 -18.950 4 HB3 GLU 77 2HB GLU 77 13.992 -30.545 -20.115 5 HG2 GLU 77 1HG GLU 77 13.586 -28.708 -21.460 6 HG3 GLU 77 2HG GLU 77 12.111 -29.656 -21.646 No H/Q in entry = 6 Start of MODEL 15 1 H TYR 78 H TYR 78 10.937 -30.686 -16.991 2 HA TYR 78 HA TYR 78 8.400 -29.573 -18.032 3 HB2 TYR 78 1HB TYR 78 9.156 -30.813 -15.386 4 HB3 TYR 78 2HB TYR 78 7.559 -30.213 -15.826 5 HD1 TYR 78 HD1 TYR 78 9.986 -32.938 -16.312 6 HD2 TYR 78 HD2 TYR 78 6.327 -31.208 -17.781 7 HE1 TYR 78 HE1 TYR 78 9.569 -34.969 -17.649 8 HE2 TYR 78 HE2 TYR 78 5.974 -33.196 -19.222 9 HH TYR 78 HH TYR 78 6.706 -35.307 -19.789 No H/Q in entry = 9 Start of MODEL 15 1 H ALA 79 H ALA 79 7.800 -27.488 -17.638 2 HA ALA 79 HA ALA 79 9.317 -25.837 -15.683 3 HB1 ALA 79 1HB ALA 79 10.519 -25.605 -17.779 4 HB3 ALA 79 2HB ALA 79 9.009 -25.359 -18.681 5 HB2 ALA 79 3HB ALA 79 9.564 -24.128 -17.535 No H/Q in entry = 5 Start of MODEL 15 1 H CYS 80 H CYS 80 7.783 -25.057 -14.363 2 HA CYS 80 HA CYS 80 5.157 -24.243 -15.353 3 HB2 CYS 80 1HB CYS 80 6.466 -24.310 -12.662 4 HB3 CYS 80 2HB CYS 80 5.054 -23.277 -12.936 No H/Q in entry = 4 Start of MODEL 15 1 H ARG 81 H ARG 81 4.638 -22.392 -16.171 2 HA ARG 81 HA ARG 81 6.750 -20.398 -16.633 3 HB2 ARG 81 1HB ARG 81 5.363 -21.719 -18.390 4 HB3 ARG 81 2HB ARG 81 4.048 -20.615 -17.982 5 HG2 ARG 81 1HG ARG 81 5.788 -18.720 -18.459 6 HG3 ARG 81 2HG ARG 81 6.778 -20.024 -19.139 7 HD2 ARG 81 1HD ARG 81 5.592 -19.065 -20.969 8 HD3 ARG 81 2HD ARG 81 4.826 -20.632 -20.626 9 HE ARG 81 HE ARG 81 3.504 -18.583 -19.149 10 HH12 ARG 81 HH11 ARG 81 2.309 -19.102 -22.996 11 HH11 ARG 81 HH12 ARG 81 3.860 -19.728 -22.494 12 HH21 ARG 81 HH21 ARG 81 1.498 -17.744 -19.838 13 HH22 ARG 81 HH22 ARG 81 0.966 -17.967 -21.488 No H/Q in entry = 13 Start of MODEL 15 1 H VAL 82 H VAL 82 6.612 -19.238 -14.592 2 HA VAL 82 HA VAL 82 3.945 -18.674 -13.520 3 HB VAL 82 HB VAL 82 6.688 -18.111 -12.338 4 HG12 VAL 82 HG11 VAL 82 5.400 -18.009 -10.219 5 HG13 VAL 82 HG12 VAL 82 4.871 -16.747 -11.345 6 HG11 VAL 82 HG13 VAL 82 3.890 -18.214 -11.132 7 HG21 VAL 82 HG21 VAL 82 4.785 -20.468 -11.999 8 HG22 VAL 82 HG22 VAL 82 6.423 -20.517 -12.682 9 HG23 VAL 82 HG23 VAL 82 6.196 -20.145 -10.970 No H/Q in entry = 9 Start of MODEL 15 1 H ASN 83 H ASN 83 3.083 -17.174 -14.949 2 HA ASN 83 HA ASN 83 4.509 -14.598 -15.383 3 HB2 ASN 83 1HB ASN 83 2.010 -15.761 -16.651 4 HB3 ASN 83 2HB ASN 83 2.798 -14.233 -17.074 5 HD21 ASN 83 HD21 ASN 83 2.570 -15.445 -19.231 6 HD22 ASN 83 HD22 ASN 83 3.947 -16.411 -19.717 No H/Q in entry = 6 Start of MODEL 15 1 H HIS 84 H HIS 84 4.099 -13.213 -13.725 2 HA HIS 84 HA HIS 84 1.287 -12.919 -12.756 3 HB2 HIS 84 1HB HIS 84 2.849 -13.927 -11.091 4 HB3 HIS 84 2HB HIS 84 3.874 -12.494 -11.217 5 HD2 HIS 84 HD2 HIS 84 -0.073 -12.643 -10.698 6 HE1 HIS 84 HE1 HIS 84 1.700 -10.541 -7.491 7 HE2 HIS 84 HE2 HIS 84 -0.522 -11.257 -8.533 No H/Q in entry = 7 Start of MODEL 15 1 H VAL 85 H VAL 85 0.618 -10.773 -12.316 2 HA VAL 85 HA VAL 85 1.302 -8.932 -14.283 3 HB VAL 85 HB VAL 85 -0.838 -9.017 -13.118 4 HG13 VAL 85 HG11 VAL 85 -1.186 -7.994 -10.943 5 HG11 VAL 85 HG12 VAL 85 -0.054 -9.343 -10.774 6 HG12 VAL 85 HG13 VAL 85 0.542 -7.667 -10.754 7 HG22 VAL 85 HG21 VAL 85 -1.272 -6.638 -13.053 8 HG23 VAL 85 HG22 VAL 85 0.447 -6.270 -12.833 9 HG21 VAL 85 HG23 VAL 85 -0.125 -6.974 -14.362 No H/Q in entry = 9 Start of MODEL 15 1 H THR 86 H THR 86 2.653 -9.256 -11.007 2 HA THR 86 HA THR 86 4.035 -6.765 -10.914 3 HB THR 86 HB THR 86 5.379 -7.828 -9.157 4 HG1 THR 86 HG1 THR 86 3.994 -10.203 -9.825 5 HG23 THR 86 HG21 THR 86 3.560 -8.358 -7.605 6 HG22 THR 86 HG22 THR 86 2.422 -8.568 -8.948 7 HG21 THR 86 HG23 THR 86 3.111 -6.973 -8.628 No H/Q in entry = 7 Start of MODEL 15 1 H LEU 87 H LEU 87 4.863 -9.934 -12.318 2 HA LEU 87 HA LEU 87 7.635 -9.167 -12.864 3 HB2 LEU 87 1HB LEU 87 6.080 -11.606 -13.788 4 HB3 LEU 87 2HB LEU 87 7.833 -11.395 -13.774 5 HG LEU 87 HG LEU 87 6.053 -11.522 -11.286 6 HD11 LEU 87 HD11 LEU 87 6.178 -13.662 -12.488 7 HD13 LEU 87 HD12 LEU 87 7.067 -13.735 -10.955 8 HD12 LEU 87 HD13 LEU 87 7.952 -13.563 -12.486 9 HD22 LEU 87 HD21 LEU 87 8.058 -10.167 -10.856 10 HD21 LEU 87 HD22 LEU 87 9.088 -11.420 -11.588 11 HD23 LEU 87 HD23 LEU 87 8.213 -11.743 -10.074 No H/Q in entry = 11 Start of MODEL 15 1 H SER 88 H SER 88 8.430 -8.486 -14.793 2 HA SER 88 HA SER 88 6.622 -7.665 -16.927 3 HB2 SER 88 1HB SER 88 8.748 -6.963 -18.029 4 HB3 SER 88 2HB SER 88 8.505 -6.257 -16.421 5 HG SER 88 HG SER 88 9.921 -7.830 -15.590 No H/Q in entry = 5 Start of MODEL 15 1 H GLN 89 H GLN 89 9.312 -10.011 -16.580 2 HA GLN 89 HA GLN 89 8.662 -11.243 -19.165 3 HB2 GLN 89 1HB GLN 89 10.950 -11.606 -17.191 4 HB3 GLN 89 2HB GLN 89 10.805 -12.486 -18.720 5 HG2 GLN 89 1HG GLN 89 10.778 -10.332 -19.960 6 HG3 GLN 89 2HG GLN 89 11.021 -9.456 -18.439 7 HE21 GLN 89 HE21 GLN 89 12.816 -9.136 -20.541 8 HE22 GLN 89 HE22 GLN 89 14.343 -9.881 -20.119 No H/Q in entry = 8 Start of MODEL 15 1 HA PRO 90 HA PRO 90 6.711 -14.816 -17.266 2 HB2 PRO 90 1HB PRO 90 7.228 -16.784 -19.103 3 HB3 PRO 90 2HB PRO 90 6.122 -15.422 -19.447 4 HG2 PRO 90 1HG PRO 90 9.033 -15.634 -20.233 5 HG3 PRO 90 2HG PRO 90 7.637 -15.215 -21.267 6 HD2 PRO 90 1HD PRO 90 9.195 -13.301 -20.152 7 HD3 PRO 90 2HD PRO 90 7.426 -13.074 -20.269 No H/Q in entry = 7 Start of MODEL 15 1 H LYS 91 H LYS 91 7.503 -16.028 -15.548 2 HA LYS 91 HA LYS 91 10.430 -16.313 -15.362 3 HB2 LYS 91 1HB LYS 91 8.992 -15.277 -13.607 4 HB3 LYS 91 2HB LYS 91 8.352 -16.874 -13.232 5 HG2 LYS 91 1HG LYS 91 11.290 -16.019 -13.117 6 HG3 LYS 91 2HG LYS 91 10.177 -16.112 -11.747 7 HD2 LYS 91 1HD LYS 91 9.901 -18.573 -12.190 8 HD3 LYS 91 2HD LYS 91 11.155 -18.449 -13.443 9 HE2 LYS 91 1HE LYS 91 12.191 -19.275 -11.461 10 HE3 LYS 91 2HE LYS 91 12.773 -17.627 -11.752 11 HZ2 LYS 91 1HZ LYS 91 12.227 -18.021 -9.463 12 HZ1 LYS 91 2HZ LYS 91 10.673 -18.408 -9.851 13 HZ3 LYS 91 3HZ LYS 91 11.225 -16.872 -10.089 No H/Q in entry = 13 Start of MODEL 15 1 H ILE 92 H ILE 92 10.971 -17.998 -16.667 2 HA ILE 92 HA ILE 92 9.495 -20.485 -16.789 3 HB ILE 92 HB ILE 92 12.323 -19.945 -17.767 4 HG13 ILE 92 HG12 ILE 92 11.374 -19.392 -19.963 5 HG21 ILE 92 HG21 ILE 92 11.621 -22.304 -17.752 6 HG22 ILE 92 HG22 ILE 92 10.169 -21.898 -18.680 7 HG23 ILE 92 HG23 ILE 92 11.777 -21.698 -19.406 8 HD13 ILE 92 HD11 ILE 92 9.116 -18.488 -20.151 9 HD11 ILE 92 HD12 ILE 92 9.039 -20.199 -19.706 10 HD12 ILE 92 HD13 ILE 92 8.751 -18.937 -18.478 11 HG12 ILE 92 HG11 ILE 92 11.089 -18.162 -18.741 No H/Q in entry = 11 Start of MODEL 15 1 H VAL 93 H VAL 93 9.396 -21.397 -14.719 2 HA VAL 93 HA VAL 93 11.781 -21.845 -13.099 3 HB VAL 93 HB VAL 93 9.034 -23.180 -12.997 4 HG12 VAL 93 HG11 VAL 93 9.760 -23.556 -10.564 5 HG13 VAL 93 HG12 VAL 93 10.562 -24.560 -11.770 6 HG11 VAL 93 HG13 VAL 93 11.400 -23.148 -11.079 7 HG22 VAL 93 HG21 VAL 93 8.542 -21.626 -11.168 8 HG23 VAL 93 HG22 VAL 93 10.124 -20.843 -11.380 9 HG21 VAL 93 HG23 VAL 93 8.879 -20.722 -12.645 No H/Q in entry = 9 Start of MODEL 15 1 H LYS 94 H LYS 94 12.780 -23.965 -12.826 2 HA LYS 94 HA LYS 94 12.066 -26.028 -14.869 3 HB2 LYS 94 1HB LYS 94 14.879 -25.487 -13.853 4 HB3 LYS 94 2HB LYS 94 14.344 -26.753 -14.962 5 HG2 LYS 94 1HG LYS 94 13.387 -24.484 -16.244 6 HG3 LYS 94 2HG LYS 94 14.813 -23.845 -15.423 7 HD2 LYS 94 1HD LYS 94 15.555 -24.511 -17.561 8 HD3 LYS 94 2HD LYS 94 16.105 -25.821 -16.499 9 HE2 LYS 94 1HE LYS 94 14.127 -27.187 -17.196 10 HE3 LYS 94 2HE LYS 94 13.530 -25.820 -18.155 11 HZ1 LYS 94 1HZ LYS 94 15.453 -25.996 -19.523 12 HZ3 LYS 94 2HZ LYS 94 14.627 -27.420 -19.492 13 HZ2 LYS 94 3HZ LYS 94 16.030 -27.264 -18.638 No H/Q in entry = 13 Start of MODEL 15 1 H TRP 95 H TRP 95 11.076 -27.580 -13.810 2 HA TRP 95 HA TRP 95 10.852 -28.089 -11.116 3 HB2 TRP 95 1HB TRP 95 9.440 -29.203 -12.699 4 HB3 TRP 95 2HB TRP 95 10.820 -29.877 -13.543 5 HD1 TRP 95 HD1 TRP 95 9.859 -30.251 -9.776 6 HE1 TRP 95 HE1 TRP 95 9.946 -32.750 -9.187 7 HE3 TRP 95 HE3 TRP 95 11.014 -32.130 -14.381 8 HZ2 TRP 95 HZ2 TRP 95 10.449 -35.234 -10.534 9 HZ3 TRP 95 HZ3 TRP 95 11.288 -34.578 -14.703 10 HH2 TRP 95 HH2 TRP 95 11.015 -36.129 -12.789 No H/Q in entry = 10 Start of MODEL 15 1 H ASP 96 H ASP 96 12.329 -28.500 -9.618 2 HA ASP 96 HA ASP 96 14.943 -29.633 -10.218 3 HB2 ASP 96 1HB ASP 96 14.650 -27.922 -8.470 4 HB3 ASP 96 2HB ASP 96 13.572 -29.006 -7.574 No H/Q in entry = 4 Start of MODEL 15 1 H ARG 97 H ARG 97 15.382 -31.741 -10.257 2 HA ARG 97 HA ARG 97 13.266 -33.697 -9.915 3 HB2 ARG 97 1HB ARG 97 14.871 -35.241 -10.917 4 HB3 ARG 97 2HB ARG 97 14.729 -33.746 -11.844 5 HG2 ARG 97 1HG ARG 97 16.854 -32.908 -10.941 6 HG3 ARG 97 2HG ARG 97 16.987 -34.307 -9.860 7 HD2 ARG 97 1HD ARG 97 17.099 -35.811 -11.797 8 HD3 ARG 97 2HD ARG 97 16.942 -34.423 -12.900 9 HE ARG 97 HE ARG 97 19.096 -33.813 -11.250 10 HH12 ARG 97 HH11 ARG 97 19.980 -36.707 -13.966 11 HH11 ARG 97 HH12 ARG 97 18.310 -36.407 -13.551 12 HH21 ARG 97 HH21 ARG 97 21.271 -34.220 -11.811 13 HH22 ARG 97 HH22 ARG 97 21.665 -35.462 -12.977 No H/Q in entry = 13 Start of MODEL 15 1 H ASP 98 H ASP 98 14.292 -32.419 -7.387 2 HA ASP 98 HA ASP 98 15.378 -34.776 -5.932 3 HB2 ASP 98 1HB ASP 98 16.541 -32.595 -5.685 4 HB3 ASP 98 2HB ASP 98 15.047 -31.871 -5.080 No H/Q in entry = 4 Start of MODEL 15 1 H MET 99 H MET 99 13.223 -35.715 -6.519 2 HA MET 99 HA MET 99 11.101 -36.345 -6.122 3 HB2 MET 99 1HB MET 99 11.980 -36.875 -3.915 4 HB3 MET 99 2HB MET 99 11.640 -35.248 -3.330 5 HG2 MET 99 1HG MET 99 10.039 -36.834 -2.518 6 HG3 MET 99 2HG MET 99 9.225 -35.642 -3.514 7 HE3 MET 99 1HE MET 99 8.749 -38.920 -2.367 8 HE1 MET 99 2HE MET 99 7.478 -37.728 -2.723 9 HE2 MET 99 3HE MET 99 7.475 -39.309 -3.540 No H/Q in entry = 9 Start of MODEL 16 1 H1 MET 0 2H MET 0 -0.770 -2.236 -3.926 2 H2 MET 0 3H MET 0 -1.621 -2.435 -2.527 3 H3 MET 0 1H MET 0 -1.434 -0.931 -3.172 4 HA MET 0 HA MET 0 0.866 -0.917 -2.773 5 HB2 MET 0 1HB MET 0 -0.690 -1.813 -0.314 6 HB3 MET 0 2HB MET 0 0.902 -1.042 -0.300 7 HG2 MET 0 1HG MET 0 -0.040 0.993 -1.301 8 HG3 MET 0 2HG MET 0 -1.628 0.223 -1.418 9 HE3 MET 0 1HE MET 0 1.046 0.334 1.594 10 HE1 MET 0 2HE MET 0 0.969 1.969 0.893 11 HE2 MET 0 3HE MET 0 0.319 1.658 2.520 No H/Q in entry = 11 Start of MODEL 16 1 H ILE 1 H ILE 1 -0.591 -3.921 -1.439 2 HA ILE 1 HA ILE 1 1.987 -5.139 -1.052 3 HB ILE 1 HB ILE 1 0.276 -5.572 0.522 4 HG13 ILE 1 HG12 ILE 1 0.849 -8.106 -1.068 5 HG22 ILE 1 HG21 ILE 1 -1.413 -7.040 -1.543 6 HG23 ILE 1 HG22 ILE 1 -1.741 -6.791 0.170 7 HG21 ILE 1 HG23 ILE 1 -1.764 -5.412 -0.929 8 HD12 ILE 1 HD11 ILE 1 2.634 -8.365 0.753 9 HD13 ILE 1 HD12 ILE 1 2.990 -7.142 -0.477 10 HD11 ILE 1 HD13 ILE 1 2.394 -6.650 1.128 11 HG12 ILE 1 HG11 ILE 1 0.297 -8.029 0.604 No H/Q in entry = 11 Start of MODEL 16 1 H GLN 2 H GLN 2 2.993 -5.187 -3.036 2 HA GLN 2 HA GLN 2 1.877 -6.874 -5.187 3 HB2 GLN 2 1HB GLN 2 4.334 -5.108 -4.920 4 HB3 GLN 2 2HB GLN 2 3.983 -6.088 -6.349 5 HG2 GLN 2 1HG GLN 2 1.865 -4.922 -6.710 6 HG3 GLN 2 2HG GLN 2 2.101 -3.968 -5.239 7 HE21 GLN 2 HE21 GLN 2 3.665 -4.716 -8.407 8 HE22 GLN 2 HE22 GLN 2 4.383 -3.135 -8.608 No H/Q in entry = 8 Start of MODEL 16 1 H ARG 3 H ARG 3 1.972 -8.596 -3.340 2 HA ARG 3 HA ARG 3 4.551 -9.675 -2.632 3 HB2 ARG 3 1HB ARG 3 2.406 -9.718 -1.281 4 HB3 ARG 3 2HB ARG 3 1.828 -10.993 -2.360 5 HG2 ARG 3 1HG ARG 3 3.826 -12.371 -1.675 6 HG3 ARG 3 2HG ARG 3 4.282 -11.075 -0.547 7 HD2 ARG 3 1HD ARG 3 2.081 -11.250 0.575 8 HD3 ARG 3 2HD ARG 3 1.591 -12.504 -0.576 9 HE ARG 3 HE ARG 3 4.013 -13.211 0.847 10 HH12 ARG 3 HH11 ARG 3 0.379 -14.328 2.304 11 HH11 ARG 3 HH12 ARG 3 0.468 -13.094 1.081 12 HH21 ARG 3 HH21 ARG 3 3.868 -14.798 2.543 13 HH22 ARG 3 HH22 ARG 3 2.297 -15.259 3.160 No H/Q in entry = 13 Start of MODEL 16 1 H THR 4 H THR 4 5.664 -11.347 -3.575 2 HA THR 4 HA THR 4 4.843 -12.110 -6.269 3 HB THR 4 HB THR 4 7.194 -12.987 -6.371 4 HG1 THR 4 HG1 THR 4 7.405 -13.482 -4.169 5 HG22 THR 4 HG21 THR 4 6.950 -10.129 -5.325 6 HG21 THR 4 HG22 THR 4 6.694 -10.652 -7.004 7 HG23 THR 4 HG23 THR 4 8.297 -10.803 -6.262 No H/Q in entry = 7 Start of MODEL 16 1 HA PRO 5 HA PRO 5 3.631 -16.290 -5.195 2 HB2 PRO 5 1HB PRO 5 4.422 -17.686 -7.443 3 HB3 PRO 5 2HB PRO 5 2.991 -16.629 -7.414 4 HG2 PRO 5 1HG PRO 5 5.772 -15.995 -8.399 5 HG3 PRO 5 2HG PRO 5 4.214 -15.621 -9.189 6 HD2 PRO 5 1HD PRO 5 5.559 -13.758 -7.768 7 HD3 PRO 5 2HD PRO 5 3.777 -13.843 -7.688 No H/Q in entry = 7 Start of MODEL 16 1 H LYS 6 H LYS 6 4.667 -17.613 -3.794 2 HA LYS 6 HA LYS 6 7.576 -17.983 -3.952 3 HB2 LYS 6 1HB LYS 6 6.366 -17.466 -1.846 4 HB3 LYS 6 2HB LYS 6 5.630 -19.070 -1.876 5 HG2 LYS 6 1HG LYS 6 8.644 -18.662 -2.073 6 HG3 LYS 6 2HG LYS 6 7.830 -18.620 -0.512 7 HD2 LYS 6 1HD LYS 6 7.084 -20.868 -0.656 8 HD3 LYS 6 2HD LYS 6 7.547 -21.027 -2.351 9 HE2 LYS 6 1HE LYS 6 9.563 -20.510 -0.141 10 HE3 LYS 6 2HE LYS 6 9.142 -22.116 -0.759 11 HZ2 LYS 6 1HZ LYS 6 10.288 -19.940 -2.341 12 HZ1 LYS 6 2HZ LYS 6 9.807 -21.401 -2.934 13 HZ3 LYS 6 3HZ LYS 6 11.050 -21.318 -1.853 No H/Q in entry = 13 Start of MODEL 16 1 H ILE 7 H ILE 7 8.101 -19.342 -5.570 2 HA ILE 7 HA ILE 7 6.494 -21.499 -6.510 3 HB ILE 7 HB ILE 7 8.567 -22.076 -7.814 4 HG13 ILE 7 HG12 ILE 7 10.114 -20.918 -5.981 5 HG21 ILE 7 HG21 ILE 7 7.457 -19.242 -7.921 6 HG22 ILE 7 HG22 ILE 7 8.428 -19.975 -9.202 7 HG23 ILE 7 HG23 ILE 7 6.865 -20.682 -8.773 8 HD13 ILE 7 HD11 ILE 7 10.983 -22.049 -7.964 9 HD11 ILE 7 HD12 ILE 7 10.670 -20.601 -8.947 10 HD12 ILE 7 HD13 ILE 7 11.853 -20.541 -7.626 11 HG12 ILE 7 HG11 ILE 7 9.768 -19.454 -6.903 No H/Q in entry = 11 Start of MODEL 16 1 H GLN 8 H GLN 8 6.575 -23.651 -6.209 2 HA GLN 8 HA GLN 8 8.845 -24.980 -4.938 3 HB2 GLN 8 1HB GLN 8 6.013 -25.258 -3.830 4 HB3 GLN 8 2HB GLN 8 7.374 -26.328 -3.465 5 HG2 GLN 8 1HG GLN 8 8.561 -24.441 -2.400 6 HG3 GLN 8 2HG GLN 8 7.154 -23.400 -2.712 7 HE21 GLN 8 HE21 GLN 8 7.638 -23.354 -0.174 8 HE22 GLN 8 HE22 GLN 8 6.634 -24.449 0.750 No H/Q in entry = 8 Start of MODEL 16 1 H VAL 9 H VAL 9 9.065 -25.662 -7.160 2 HA VAL 9 HA VAL 9 6.824 -27.147 -8.399 3 HB VAL 9 HB VAL 9 9.424 -26.274 -9.597 4 HG11 VAL 9 HG11 VAL 9 8.166 -28.067 -10.849 5 HG12 VAL 9 HG12 VAL 9 6.738 -27.017 -10.859 6 HG13 VAL 9 HG13 VAL 9 8.205 -26.534 -11.733 7 HG23 VAL 9 HG21 VAL 9 8.014 -24.421 -10.585 8 HG21 VAL 9 HG22 VAL 9 6.701 -24.904 -9.504 9 HG22 VAL 9 HG23 VAL 9 8.212 -24.273 -8.829 No H/Q in entry = 9 Start of MODEL 16 1 H TYR 10 H TYR 10 7.164 -28.842 -6.827 2 HA TYR 10 HA TYR 10 9.523 -30.601 -7.189 3 HB2 TYR 10 1HB TYR 10 8.965 -31.497 -5.031 4 HB3 TYR 10 2HB TYR 10 9.131 -29.752 -4.999 5 HD1 TYR 10 HD1 TYR 10 6.803 -32.577 -4.572 6 HD2 TYR 10 HD2 TYR 10 7.216 -28.304 -4.581 7 HE1 TYR 10 HE1 TYR 10 4.637 -32.375 -3.408 8 HE2 TYR 10 HE2 TYR 10 5.007 -28.079 -3.461 9 HH TYR 10 HH TYR 10 3.217 -29.194 -2.533 No H/Q in entry = 9 Start of MODEL 16 1 H SER 11 H SER 11 9.207 -32.941 -6.865 2 HA SER 11 HA SER 11 7.123 -34.005 -8.644 3 HB2 SER 11 1HB SER 11 9.210 -35.648 -7.157 4 HB3 SER 11 2HB SER 11 8.386 -35.977 -8.691 5 HG SER 11 HG SER 11 10.379 -34.038 -8.149 No H/Q in entry = 5 Start of MODEL 16 1 H ARG 12 H ARG 12 5.191 -34.679 -7.782 2 HA ARG 12 HA ARG 12 4.732 -34.807 -4.967 3 HB2 ARG 12 1HB ARG 12 2.935 -34.282 -6.497 4 HB3 ARG 12 2HB ARG 12 3.171 -35.797 -7.363 5 HG2 ARG 12 1HG ARG 12 1.186 -35.966 -6.058 6 HG3 ARG 12 2HG ARG 12 2.369 -37.081 -5.381 7 HD2 ARG 12 1HD ARG 12 1.705 -34.319 -4.290 8 HD3 ARG 12 2HD ARG 12 1.035 -35.837 -3.678 9 HE ARG 12 HE ARG 12 3.646 -36.370 -3.446 10 HH12 ARG 12 HH11 ARG 12 2.996 -33.079 -1.160 11 HH11 ARG 12 HH12 ARG 12 1.838 -33.474 -2.405 12 HH21 ARG 12 HH21 ARG 12 5.121 -35.816 -1.834 13 HH22 ARG 12 HH22 ARG 12 4.856 -34.414 -0.824 No H/Q in entry = 13 Start of MODEL 16 1 H HIS 13 H HIS 13 4.711 -37.375 -7.471 2 HA HIS 13 HA HIS 13 5.283 -39.535 -5.565 3 HB2 HIS 13 1HB HIS 13 5.009 -39.353 -8.599 4 HB3 HIS 13 2HB HIS 13 5.363 -40.854 -7.756 5 HD1 HIS 13 HD1 HIS 13 3.397 -42.218 -7.027 6 HD2 HIS 13 HD2 HIS 13 2.372 -38.225 -7.781 7 HE1 HIS 13 HE1 HIS 13 0.876 -42.022 -6.775 No H/Q in entry = 7 Start of MODEL 16 1 HA PRO 14 HA PRO 14 9.713 -39.245 -6.597 2 HB2 PRO 14 1HB PRO 14 10.588 -41.816 -6.367 3 HB3 PRO 14 2HB PRO 14 10.138 -40.800 -4.969 4 HG2 PRO 14 1HG PRO 14 8.493 -42.935 -6.316 5 HG3 PRO 14 2HG PRO 14 8.681 -42.617 -4.569 6 HD2 PRO 14 1HD PRO 14 6.541 -41.761 -6.111 7 HD3 PRO 14 2HD PRO 14 7.074 -40.919 -4.631 No H/Q in entry = 7 Start of MODEL 16 1 H ALA 15 H ALA 15 10.879 -39.315 -8.474 2 HA ALA 15 HA ALA 15 9.318 -39.895 -10.855 3 HB1 ALA 15 1HB ALA 15 10.473 -37.761 -10.510 4 HB2 ALA 15 2HB ALA 15 12.041 -38.590 -10.509 5 HB3 ALA 15 3HB ALA 15 11.036 -38.585 -11.977 No H/Q in entry = 5 Start of MODEL 16 1 H GLU 16 H GLU 16 9.276 -42.148 -11.051 2 HA GLU 16 HA GLU 16 11.777 -43.637 -11.476 3 HB2 GLU 16 1HB GLU 16 8.829 -44.337 -11.595 4 HB3 GLU 16 2HB GLU 16 10.077 -45.426 -12.209 5 HG2 GLU 16 1HG GLU 16 9.602 -46.133 -10.002 6 HG3 GLU 16 2HG GLU 16 11.207 -45.400 -9.999 No H/Q in entry = 6 Start of MODEL 16 1 H ASN 17 H ASN 17 12.161 -44.786 -13.467 2 HA ASN 17 HA ASN 17 12.245 -43.003 -15.706 3 HB2 ASN 17 1HB ASN 17 14.026 -44.597 -15.098 4 HB3 ASN 17 2HB ASN 17 12.948 -45.955 -15.434 5 HD21 ASN 17 HD21 ASN 17 14.765 -43.248 -16.868 6 HD22 ASN 17 HD22 ASN 17 14.759 -43.864 -18.507 No H/Q in entry = 6 Start of MODEL 16 1 H GLY 18 H GLY 18 10.360 -42.550 -16.784 2 HA3 GLY 18 1HA GLY 18 8.543 -42.838 -18.125 3 HA2 GLY 18 2HA GLY 18 9.151 -44.464 -18.485 No H/Q in entry = 3 Start of MODEL 16 1 H LYS 19 H LYS 19 7.651 -42.662 -15.751 2 HA LYS 19 HA LYS 19 5.418 -44.521 -15.599 3 HB2 LYS 19 1HB LYS 19 7.325 -45.614 -14.326 4 HB3 LYS 19 2HB LYS 19 7.280 -44.257 -13.212 5 HG2 LYS 19 1HG LYS 19 4.930 -46.117 -13.829 6 HG3 LYS 19 2HG LYS 19 6.084 -46.407 -12.539 7 HD2 LYS 19 1HD LYS 19 4.101 -44.094 -12.692 8 HD3 LYS 19 2HD LYS 19 4.057 -45.482 -11.624 9 HE2 LYS 19 1HE LYS 19 6.167 -43.280 -11.558 10 HE3 LYS 19 2HE LYS 19 4.857 -43.534 -10.405 11 HZ3 LYS 19 1HZ LYS 19 5.798 -45.627 -9.829 12 HZ2 LYS 19 2HZ LYS 19 6.935 -44.444 -9.639 13 HZ1 LYS 19 3HZ LYS 19 7.008 -45.452 -10.935 No H/Q in entry = 13 Start of MODEL 16 1 H SER 20 H SER 20 3.722 -43.297 -15.159 2 HA SER 20 HA SER 20 3.675 -40.607 -15.222 3 HB2 SER 20 1HB SER 20 1.630 -42.371 -13.827 4 HB3 SER 20 2HB SER 20 1.359 -40.719 -14.419 5 HG SER 20 HG SER 20 0.692 -42.223 -15.953 No H/Q in entry = 5 Start of MODEL 16 1 H ASN 21 H ASN 21 3.739 -38.883 -13.921 2 HA ASN 21 HA ASN 21 4.051 -39.132 -10.991 3 HB2 ASN 21 1HB ASN 21 6.294 -39.427 -12.073 4 HB3 ASN 21 2HB ASN 21 6.083 -37.884 -12.897 5 HD21 ASN 21 HD21 ASN 21 7.294 -39.402 -10.089 6 HD22 ASN 21 HD22 ASN 21 7.517 -37.971 -9.113 No H/Q in entry = 6 Start of MODEL 16 1 H PHE 22 H PHE 22 2.993 -37.462 -10.040 2 HA PHE 22 HA PHE 22 1.801 -35.393 -11.715 3 HB2 PHE 22 1HB PHE 22 1.551 -36.165 -8.817 4 HB3 PHE 22 2HB PHE 22 0.914 -34.644 -9.421 5 HD1 PHE 22 HD1 PHE 22 -1.146 -34.534 -10.614 6 HD2 PHE 22 HD2 PHE 22 0.667 -38.370 -9.829 7 HE1 PHE 22 HE1 PHE 22 -3.331 -35.643 -10.969 8 HE2 PHE 22 HE2 PHE 22 -1.519 -39.473 -10.202 9 HZ PHE 22 HZ PHE 22 -3.531 -38.110 -10.721 No H/Q in entry = 9 Start of MODEL 16 1 H LEU 23 H LEU 23 2.550 -33.411 -12.028 2 HA LEU 23 HA LEU 23 4.878 -32.321 -10.670 3 HB2 LEU 23 1HB LEU 23 4.038 -31.753 -13.070 4 HB3 LEU 23 2HB LEU 23 2.736 -30.872 -12.285 5 HG LEU 23 HG LEU 23 4.543 -29.470 -11.119 6 HD13 LEU 23 HD11 LEU 23 6.482 -30.983 -11.399 7 HD12 LEU 23 HD12 LEU 23 6.777 -29.463 -12.251 8 HD11 LEU 23 HD13 LEU 23 6.308 -30.906 -13.165 9 HD22 LEU 23 HD21 LEU 23 4.963 -28.093 -13.100 10 HD21 LEU 23 HD22 LEU 23 3.284 -28.663 -13.070 11 HD23 LEU 23 HD23 LEU 23 4.464 -29.431 -14.159 No H/Q in entry = 11 Start of MODEL 16 1 H ASN 24 H ASN 24 4.798 -30.740 -8.980 2 HA ASN 24 HA ASN 24 2.103 -29.808 -8.068 3 HB2 ASN 24 1HB ASN 24 4.338 -31.059 -6.440 4 HB3 ASN 24 2HB ASN 24 3.358 -29.761 -5.753 5 HD21 ASN 24 HD21 ASN 24 2.579 -31.184 -4.115 6 HD22 ASN 24 HD22 ASN 24 1.302 -32.322 -4.483 No H/Q in entry = 6 Start of MODEL 16 1 H CYS 25 H CYS 25 2.588 -28.041 -9.532 2 HA CYS 25 HA CYS 25 4.771 -26.223 -8.712 3 HB2 CYS 25 1HB CYS 25 4.364 -26.404 -11.064 4 HB3 CYS 25 2HB CYS 25 2.682 -25.909 -10.872 No H/Q in entry = 4 Start of MODEL 16 1 H TYR 26 H TYR 26 4.184 -25.811 -6.583 2 HA TYR 26 HA TYR 26 1.560 -24.607 -5.950 3 HB2 TYR 26 1HB TYR 26 2.453 -26.468 -4.658 4 HB3 TYR 26 2HB TYR 26 3.896 -25.566 -4.288 5 HD1 TYR 26 HD1 TYR 26 0.158 -25.477 -3.915 6 HD2 TYR 26 HD2 TYR 26 3.970 -24.296 -2.282 7 HE1 TYR 26 HE1 TYR 26 -0.928 -24.950 -1.757 8 HE2 TYR 26 HE2 TYR 26 2.879 -23.743 -0.132 9 HH TYR 26 HH TYR 26 -0.658 -24.116 0.362 No H/Q in entry = 9 Start of MODEL 16 1 H VAL 27 H VAL 27 1.614 -22.465 -6.660 2 HA VAL 27 HA VAL 27 4.088 -20.886 -6.307 3 HB VAL 27 HB VAL 27 3.027 -19.355 -7.912 4 HG13 VAL 27 HG11 VAL 27 3.133 -20.835 -9.848 5 HG11 VAL 27 HG12 VAL 27 4.430 -21.209 -8.694 6 HG12 VAL 27 HG13 VAL 27 2.992 -22.251 -8.793 7 HG22 VAL 27 HG21 VAL 27 0.968 -19.833 -9.016 8 HG23 VAL 27 HG22 VAL 27 0.761 -21.365 -8.162 9 HG21 VAL 27 HG23 VAL 27 0.611 -19.828 -7.286 No H/Q in entry = 9 Start of MODEL 16 1 H SER 28 H SER 28 2.523 -21.399 -3.918 2 HA SER 28 HA SER 28 0.428 -19.736 -3.446 3 HB2 SER 28 1HB SER 28 0.825 -20.234 -1.020 4 HB3 SER 28 2HB SER 28 0.964 -21.656 -2.076 5 HG SER 28 HG SER 28 2.685 -21.508 -0.583 No H/Q in entry = 5 Start of MODEL 16 1 H GLY 29 H GLY 29 -0.049 -17.842 -2.408 2 HA3 GLY 29 1HA GLY 29 0.250 -16.003 -1.101 3 HA2 GLY 29 2HA GLY 29 1.969 -16.333 -0.978 No H/Q in entry = 3 Start of MODEL 16 1 H PHE 30 H PHE 30 0.055 -15.828 -3.986 2 HA PHE 30 HA PHE 30 1.769 -13.510 -4.658 3 HB2 PHE 30 1HB PHE 30 1.023 -13.820 -6.902 4 HB3 PHE 30 2HB PHE 30 1.789 -15.228 -6.198 5 HD1 PHE 30 HD1 PHE 30 0.422 -17.253 -5.609 6 HD2 PHE 30 HD2 PHE 30 -1.264 -13.896 -7.690 7 HE1 PHE 30 HE1 PHE 30 -1.376 -18.695 -6.477 8 HE2 PHE 30 HE2 PHE 30 -3.295 -15.239 -8.191 9 HZ PHE 30 HZ PHE 30 -3.327 -17.648 -7.661 No H/Q in entry = 9 Start of MODEL 16 1 H HIS 31 H HIS 31 0.944 -11.540 -4.222 2 HA HIS 31 HA HIS 31 -1.957 -10.982 -4.568 3 HB2 HIS 31 1HB HIS 31 0.204 -9.544 -3.079 4 HB3 HIS 31 2HB HIS 31 -1.374 -8.852 -3.453 5 HD1 HIS 31 HD1 HIS 31 -2.910 -9.001 -1.560 6 HD2 HIS 31 HD2 HIS 31 -0.563 -12.453 -1.935 7 HE1 HIS 31 HE1 HIS 31 -3.765 -10.686 0.133 No H/Q in entry = 7 Start of MODEL 16 1 HA PRO 32 HA PRO 32 -3.394 -9.628 -5.478 2 HB2 PRO 32 1HB PRO 32 -4.732 -8.682 -7.596 3 HB3 PRO 32 2HB PRO 32 -3.726 -7.601 -6.604 4 HG2 PRO 32 1HG PRO 32 -2.917 -8.981 -9.189 5 HG3 PRO 32 2HG PRO 32 -2.848 -7.231 -8.830 6 HD2 PRO 32 1HD PRO 32 -0.712 -8.954 -8.461 7 HD3 PRO 32 2HD PRO 32 -0.970 -7.516 -7.427 No H/Q in entry = 7 Start of MODEL 16 1 H SER 33 H SER 33 -5.316 -10.554 -7.278 2 HA SER 33 HA SER 33 -4.687 -13.324 -7.498 3 HB2 SER 33 1HB SER 33 -7.013 -13.440 -8.400 4 HB3 SER 33 2HB SER 33 -6.894 -12.520 -6.890 5 HG SER 33 HG SER 33 -7.017 -11.455 -9.517 No H/Q in entry = 5 Start of MODEL 16 1 H ASP 34 H ASP 34 -4.011 -10.772 -9.693 2 HA ASP 34 HA ASP 34 -4.648 -12.149 -12.143 3 HB2 ASP 34 1HB ASP 34 -4.824 -9.708 -11.792 4 HB3 ASP 34 2HB ASP 34 -3.069 -9.600 -11.609 No H/Q in entry = 4 Start of MODEL 16 1 H ILE 35 H ILE 35 -3.235 -14.070 -11.237 2 HA ILE 35 HA ILE 35 -0.439 -13.849 -12.123 3 HB ILE 35 HB ILE 35 -1.063 -14.958 -10.003 4 HG13 ILE 35 HG12 ILE 35 1.078 -15.282 -11.299 5 HG23 ILE 35 HG21 ILE 35 -1.951 -17.257 -10.053 6 HG21 ILE 35 HG22 ILE 35 -3.097 -16.178 -10.855 7 HG22 ILE 35 HG23 ILE 35 -2.037 -17.231 -11.812 8 HD11 ILE 35 HD11 ILE 35 0.190 -17.503 -9.432 9 HD12 ILE 35 HD12 ILE 35 1.851 -17.179 -9.953 10 HD13 ILE 35 HD13 ILE 35 0.980 -15.967 -9.005 11 HG12 ILE 35 HG11 ILE 35 0.416 -16.819 -11.872 No H/Q in entry = 11 Start of MODEL 16 1 H GLU 36 H GLU 36 0.445 -15.469 -13.632 2 HA GLU 36 HA GLU 36 -1.461 -16.621 -15.615 3 HB2 GLU 36 1HB GLU 36 0.947 -14.873 -16.099 4 HB3 GLU 36 2HB GLU 36 0.082 -15.749 -17.380 5 HG2 GLU 36 1HG GLU 36 -1.937 -14.392 -16.920 6 HG3 GLU 36 2HG GLU 36 -1.078 -13.520 -15.638 No H/Q in entry = 6 Start of MODEL 16 1 H VAL 37 H VAL 37 -0.863 -18.531 -14.315 2 HA VAL 37 HA VAL 37 1.902 -19.520 -14.622 3 HB VAL 37 HB VAL 37 -0.469 -20.968 -13.469 4 HG11 VAL 37 HG11 VAL 37 2.545 -21.364 -13.254 5 HG12 VAL 37 HG12 VAL 37 1.327 -22.332 -12.396 6 HG13 VAL 37 HG13 VAL 37 1.435 -22.411 -14.160 7 HG22 VAL 37 HG21 VAL 37 -0.181 -19.050 -12.069 8 HG23 VAL 37 HG22 VAL 37 0.764 -20.318 -11.272 9 HG21 VAL 37 HG23 VAL 37 1.592 -19.093 -12.238 No H/Q in entry = 9 Start of MODEL 16 1 H ASP 38 H ASP 38 2.074 -19.552 -16.817 2 HA ASP 38 HA ASP 38 0.197 -21.084 -18.509 3 HB2 ASP 38 1HB ASP 38 0.929 -18.799 -19.079 4 HB3 ASP 38 2HB ASP 38 2.611 -19.343 -19.104 No H/Q in entry = 4 Start of MODEL 16 1 H LEU 39 H LEU 39 1.189 -22.963 -16.949 2 HA LEU 39 HA LEU 39 3.892 -23.641 -17.304 3 HB2 LEU 39 1HB LEU 39 3.460 -25.603 -15.994 4 HB3 LEU 39 2HB LEU 39 2.614 -24.209 -15.347 5 HG LEU 39 HG LEU 39 0.694 -25.287 -17.056 6 HD13 LEU 39 HD11 LEU 39 2.043 -27.291 -17.538 7 HD12 LEU 39 HD12 LEU 39 0.637 -27.724 -16.548 8 HD11 LEU 39 HD13 LEU 39 2.241 -27.609 -15.803 9 HD22 LEU 39 HD21 LEU 39 0.303 -24.551 -14.733 10 HD21 LEU 39 HD22 LEU 39 1.184 -25.971 -14.122 11 HD23 LEU 39 HD23 LEU 39 -0.355 -26.176 -14.986 No H/Q in entry = 11 Start of MODEL 16 1 H LEU 40 H LEU 40 4.920 -25.343 -18.165 2 HA LEU 40 HA LEU 40 3.833 -26.269 -20.789 3 HB2 LEU 40 1HB LEU 40 6.622 -25.225 -20.178 4 HB3 LEU 40 2HB LEU 40 5.961 -25.631 -21.764 5 HG LEU 40 HG LEU 40 5.159 -23.293 -19.976 6 HD11 LEU 40 HD11 LEU 40 7.340 -23.066 -21.109 7 HD13 LEU 40 HD12 LEU 40 6.138 -21.922 -21.740 8 HD12 LEU 40 HD13 LEU 40 6.551 -23.366 -22.675 9 HD23 LEU 40 HD21 LEU 40 3.797 -22.555 -21.964 10 HD22 LEU 40 HD22 LEU 40 3.153 -24.003 -21.206 11 HD21 LEU 40 HD23 LEU 40 4.075 -24.149 -22.703 No H/Q in entry = 11 Start of MODEL 16 1 H LYS 41 H LYS 41 4.850 -28.110 -21.695 2 HA LYS 41 HA LYS 41 6.974 -29.442 -20.144 3 HB2 LYS 41 1HB LYS 41 6.110 -31.641 -20.545 4 HB3 LYS 41 2HB LYS 41 4.962 -30.696 -19.574 5 HG2 LYS 41 1HG LYS 41 3.621 -30.304 -21.670 6 HG3 LYS 41 2HG LYS 41 4.731 -31.393 -22.531 7 HD2 LYS 41 1HD LYS 41 4.177 -33.249 -21.078 8 HD3 LYS 41 2HD LYS 41 3.137 -32.221 -20.081 9 HE2 LYS 41 1HE LYS 41 1.848 -33.634 -21.660 10 HE3 LYS 41 2HE LYS 41 1.572 -31.909 -21.943 11 HZ1 LYS 41 1HZ LYS 41 3.405 -33.607 -23.483 12 HZ3 LYS 41 2HZ LYS 41 3.106 -32.008 -23.754 13 HZ2 LYS 41 3HZ LYS 41 1.907 -33.115 -23.968 No H/Q in entry = 13 Start of MODEL 16 1 H ASN 42 H ASN 42 8.694 -29.524 -21.427 2 HA ASN 42 HA ASN 42 10.009 -29.255 -23.236 3 HB2 ASN 42 1HB ASN 42 7.901 -30.853 -24.743 4 HB3 ASN 42 2HB ASN 42 9.602 -30.651 -25.175 5 HD21 ASN 42 HD21 ASN 42 8.558 -33.177 -25.018 6 HD22 ASN 42 HD22 ASN 42 9.210 -34.008 -23.623 No H/Q in entry = 6 Start of MODEL 16 1 H GLY 43 H GLY 43 8.125 -27.141 -22.670 2 HA3 GLY 43 1HA GLY 43 7.823 -25.078 -23.635 3 HA2 GLY 43 2HA GLY 43 8.181 -25.713 -25.237 No H/Q in entry = 3 Start of MODEL 16 1 H GLU 44 H GLU 44 5.968 -27.936 -24.323 2 HA GLU 44 HA GLU 44 3.872 -26.547 -25.819 3 HB2 GLU 44 1HB GLU 44 4.013 -29.427 -24.852 4 HB3 GLU 44 2HB GLU 44 2.884 -28.750 -26.028 5 HG2 GLU 44 1HG GLU 44 5.903 -29.021 -26.368 6 HG3 GLU 44 2HG GLU 44 4.655 -29.985 -27.160 No H/Q in entry = 6 Start of MODEL 16 1 H ARG 45 H ARG 45 2.033 -25.775 -25.011 2 HA ARG 45 HA ARG 45 1.402 -25.781 -22.202 3 HB2 ARG 45 1HB ARG 45 -0.250 -25.035 -24.653 4 HB3 ARG 45 2HB ARG 45 -0.718 -24.737 -22.970 5 HG2 ARG 45 1HG ARG 45 1.277 -23.338 -22.631 6 HG3 ARG 45 2HG ARG 45 1.778 -23.596 -24.314 7 HD2 ARG 45 1HD ARG 45 -0.272 -22.480 -25.116 8 HD3 ARG 45 2HD ARG 45 -0.851 -22.333 -23.451 9 HE ARG 45 HE ARG 45 0.554 -20.596 -23.024 10 HH12 ARG 45 HH11 ARG 45 2.638 -20.698 -26.506 11 HH11 ARG 45 HH12 ARG 45 1.469 -21.955 -26.187 12 HH21 ARG 45 HH21 ARG 45 2.112 -19.034 -23.436 13 HH22 ARG 45 HH22 ARG 45 2.988 -19.008 -24.951 No H/Q in entry = 13 Start of MODEL 16 1 H ILE 46 H ILE 46 0.002 -27.061 -21.075 2 HA ILE 46 HA ILE 46 -0.602 -29.665 -22.268 3 HB ILE 46 HB ILE 46 -0.950 -28.746 -19.395 4 HG13 ILE 46 HG12 ILE 46 1.333 -28.258 -19.929 5 HG22 ILE 46 HG21 ILE 46 -0.473 -31.519 -20.573 6 HG23 ILE 46 HG22 ILE 46 -0.850 -31.118 -18.882 7 HG21 ILE 46 HG23 ILE 46 -2.068 -30.896 -20.123 8 HD12 ILE 46 HD11 ILE 46 1.487 -31.065 -18.815 9 HD13 ILE 46 HD12 ILE 46 2.593 -29.707 -18.558 10 HD11 ILE 46 HD13 ILE 46 0.955 -29.657 -17.867 11 HG12 ILE 46 HG11 ILE 46 1.521 -29.756 -20.850 No H/Q in entry = 11 Start of MODEL 16 1 H GLU 47 H GLU 47 -2.642 -30.394 -22.752 2 HA GLU 47 HA GLU 47 -4.867 -28.483 -22.582 3 HB2 GLU 47 1HB GLU 47 -4.089 -29.785 -24.649 4 HB3 GLU 47 2HB GLU 47 -4.872 -31.199 -23.931 5 HG2 GLU 47 1HG GLU 47 -7.049 -29.970 -23.964 6 HG3 GLU 47 2HG GLU 47 -6.220 -28.525 -24.558 No H/Q in entry = 6 Start of MODEL 16 1 H LYS 48 H LYS 48 -3.901 -29.871 -20.096 2 HA LYS 48 HA LYS 48 -6.484 -30.262 -18.992 3 HB2 LYS 48 1HB LYS 48 -6.185 -32.571 -19.962 4 HB3 LYS 48 2HB LYS 48 -4.744 -32.765 -18.960 5 HG2 LYS 48 1HG LYS 48 -6.244 -32.299 -16.928 6 HG3 LYS 48 2HG LYS 48 -7.623 -32.294 -18.035 7 HD2 LYS 48 1HD LYS 48 -7.140 -34.634 -18.659 8 HD3 LYS 48 2HD LYS 48 -5.679 -34.611 -17.644 9 HE2 LYS 48 1HE LYS 48 -7.135 -34.116 -15.644 10 HE3 LYS 48 2HE LYS 48 -8.561 -34.331 -16.679 11 HZ3 LYS 48 1HZ LYS 48 -7.836 -36.572 -17.081 12 HZ2 LYS 48 2HZ LYS 48 -7.998 -36.300 -15.463 13 HZ1 LYS 48 3HZ LYS 48 -6.499 -36.350 -16.141 No H/Q in entry = 13 Start of MODEL 16 1 H VAL 49 H VAL 49 -5.297 -28.356 -18.143 2 HA VAL 49 HA VAL 49 -3.346 -28.903 -15.992 3 HB VAL 49 HB VAL 49 -4.636 -26.378 -17.063 4 HG13 VAL 49 HG11 VAL 49 -4.263 -25.963 -14.718 5 HG11 VAL 49 HG12 VAL 49 -2.673 -26.756 -14.770 6 HG12 VAL 49 HG13 VAL 49 -2.933 -25.207 -15.599 7 HG23 VAL 49 HG21 VAL 49 -1.753 -27.385 -17.135 8 HG21 VAL 49 HG22 VAL 49 -2.883 -27.438 -18.501 9 HG22 VAL 49 HG23 VAL 49 -2.359 -25.878 -17.852 No H/Q in entry = 9 Start of MODEL 16 1 H GLU 50 H GLU 50 -3.899 -28.943 -13.854 2 HA GLU 50 HA GLU 50 -6.754 -28.523 -13.051 3 HB2 GLU 50 1HB GLU 50 -4.570 -30.162 -11.717 4 HB3 GLU 50 2HB GLU 50 -6.231 -29.944 -11.133 5 HG2 GLU 50 1HG GLU 50 -7.082 -30.996 -13.238 6 HG3 GLU 50 2HG GLU 50 -5.413 -31.310 -13.739 No H/Q in entry = 6 Start of MODEL 16 1 H HIS 51 H HIS 51 -6.981 -27.562 -10.866 2 HA HIS 51 HA HIS 51 -4.776 -25.865 -9.913 3 HB2 HIS 51 1HB HIS 51 -6.112 -23.814 -10.078 4 HB3 HIS 51 2HB HIS 51 -5.732 -24.485 -11.665 5 HD1 HIS 51 HD1 HIS 51 -8.615 -23.754 -9.353 6 HD2 HIS 51 HD2 HIS 51 -7.979 -25.558 -13.082 7 HE1 HIS 51 HE1 HIS 51 -10.886 -24.062 -10.437 No H/Q in entry = 7 Start of MODEL 16 1 H SER 52 H SER 52 -5.077 -25.180 -7.775 2 HA SER 52 HA SER 52 -7.209 -26.544 -6.246 3 HB2 SER 52 1HB SER 52 -4.777 -26.617 -5.602 4 HB3 SER 52 2HB SER 52 -4.890 -24.885 -5.214 5 HG SER 52 HG SER 52 -6.407 -27.008 -4.094 No H/Q in entry = 5 Start of MODEL 16 1 H ASP 53 H ASP 53 -7.348 -23.880 -8.029 2 HA ASP 53 HA ASP 53 -8.611 -22.071 -8.120 3 HB2 ASP 53 1HB ASP 53 -10.343 -23.611 -7.302 4 HB3 ASP 53 2HB ASP 53 -9.978 -23.173 -5.628 No H/Q in entry = 4 Start of MODEL 16 1 H LEU 54 H LEU 54 -9.192 -19.966 -7.145 2 HA LEU 54 HA LEU 54 -7.003 -18.793 -5.691 3 HB2 LEU 54 1HB LEU 54 -8.431 -17.720 -7.523 4 HB3 LEU 54 2HB LEU 54 -9.716 -17.598 -6.327 5 HG LEU 54 HG LEU 54 -7.770 -16.449 -4.867 6 HD12 LEU 54 HD11 LEU 54 -6.904 -15.910 -7.755 7 HD11 LEU 54 HD12 LEU 54 -5.987 -16.852 -6.573 8 HD13 LEU 54 HD13 LEU 54 -6.254 -15.120 -6.309 9 HD23 LEU 54 HD21 LEU 54 -9.129 -14.979 -7.177 10 HD22 LEU 54 HD22 LEU 54 -8.510 -14.252 -5.678 11 HD21 LEU 54 HD23 LEU 54 -9.897 -15.353 -5.621 No H/Q in entry = 11 Start of MODEL 16 1 H SER 55 H SER 55 -7.116 -20.237 -3.882 2 HA SER 55 HA SER 55 -9.414 -20.022 -2.044 3 HB2 SER 55 1HB SER 55 -7.107 -21.969 -2.276 4 HB3 SER 55 2HB SER 55 -8.451 -22.090 -1.102 5 HG SER 55 HG SER 55 -8.609 -23.221 -3.243 No H/Q in entry = 5 Start of MODEL 16 1 H PHE 56 H PHE 56 -9.238 -19.343 0.064 2 HA PHE 56 HA PHE 56 -7.040 -17.415 0.407 3 HB2 PHE 56 1HB PHE 56 -9.799 -17.531 1.678 4 HB3 PHE 56 2HB PHE 56 -8.696 -16.158 1.658 5 HD1 PHE 56 HD1 PHE 56 -8.101 -15.130 -0.624 6 HD2 PHE 56 HD2 PHE 56 -11.341 -17.917 -0.101 7 HE1 PHE 56 HE1 PHE 56 -9.070 -14.415 -2.802 8 HE2 PHE 56 HE2 PHE 56 -12.320 -17.184 -2.256 9 HZ PHE 56 HZ PHE 56 -11.208 -15.413 -3.592 No H/Q in entry = 9 Start of MODEL 16 1 H SER 57 H SER 57 -5.647 -19.264 1.345 2 HA SER 57 HA SER 57 -6.142 -19.828 4.192 3 HB2 SER 57 1HB SER 57 -3.772 -20.310 2.349 4 HB3 SER 57 2HB SER 57 -3.754 -20.668 4.088 5 HG SER 57 HG SER 57 -5.593 -21.986 3.764 No H/Q in entry = 5 Start of MODEL 16 1 H LYS 58 H LYS 58 -4.921 -18.985 5.888 2 HA LYS 58 HA LYS 58 -3.895 -17.466 7.162 3 HB2 LYS 58 1HB LYS 58 -2.371 -16.391 4.770 4 HB3 LYS 58 2HB LYS 58 -1.889 -16.467 6.472 5 HG2 LYS 58 1HG LYS 58 -1.885 -18.996 6.275 6 HG3 LYS 58 2HG LYS 58 -2.117 -18.777 4.525 7 HD2 LYS 58 1HD LYS 58 -0.041 -17.345 4.486 8 HD3 LYS 58 2HD LYS 58 0.196 -17.717 6.197 9 HE2 LYS 58 1HE LYS 58 1.599 -19.179 4.849 10 HE3 LYS 58 2HE LYS 58 0.346 -20.139 5.656 11 HZ2 LYS 58 1HZ LYS 58 0.634 -20.753 3.373 12 HZ1 LYS 58 2HZ LYS 58 0.280 -19.226 2.862 13 HZ3 LYS 58 3HZ LYS 58 -0.876 -20.141 3.601 No H/Q in entry = 13 Start of MODEL 16 1 H ASP 59 H ASP 59 -3.024 -14.808 6.672 2 HA ASP 59 HA ASP 59 -5.384 -13.217 6.691 3 HB2 ASP 59 1HB ASP 59 -3.792 -11.340 6.484 4 HB3 ASP 59 2HB ASP 59 -3.322 -12.484 7.744 No H/Q in entry = 4 Start of MODEL 16 1 H GLY 60 H GLY 60 -3.050 -14.113 4.124 2 HA3 GLY 60 1HA GLY 60 -4.974 -13.812 2.005 3 HA2 GLY 60 2HA GLY 60 -3.869 -12.424 2.084 No H/Q in entry = 3 Start of MODEL 16 1 H SER 61 H SER 61 -4.081 -15.919 1.490 2 HA SER 61 HA SER 61 -1.658 -15.659 -0.142 3 HB2 SER 61 1HB SER 61 -1.949 -17.761 2.049 4 HB3 SER 61 2HB SER 61 -0.841 -17.912 0.671 5 HG SER 61 HG SER 61 0.223 -17.008 2.418 No H/Q in entry = 5 Start of MODEL 16 1 H PHE 62 H PHE 62 -2.653 -15.915 -2.031 2 HA PHE 62 HA PHE 62 -4.817 -17.805 -2.457 3 HB2 PHE 62 1HB PHE 62 -3.148 -16.352 -4.512 4 HB3 PHE 62 2HB PHE 62 -4.745 -17.073 -4.716 5 HD1 PHE 62 HD1 PHE 62 -3.863 -14.245 -5.441 6 HD2 PHE 62 HD2 PHE 62 -5.844 -15.833 -1.954 7 HE1 PHE 62 HE1 PHE 62 -4.633 -11.968 -4.828 8 HE2 PHE 62 HE2 PHE 62 -6.550 -13.550 -1.325 9 HZ PHE 62 HZ PHE 62 -5.951 -11.616 -2.757 No H/Q in entry = 9 Start of MODEL 16 1 H TYR 63 H TYR 63 -4.179 -19.895 -2.078 2 HA TYR 63 HA TYR 63 -1.566 -20.786 -3.103 3 HB2 TYR 63 1HB TYR 63 -1.734 -22.636 -1.703 4 HB3 TYR 63 2HB TYR 63 -2.045 -21.160 -0.806 5 HD1 TYR 63 HD1 TYR 63 -4.434 -20.626 -0.080 6 HD2 TYR 63 HD2 TYR 63 -3.326 -24.441 -1.744 7 HE1 TYR 63 HE1 TYR 63 -6.566 -21.597 0.721 8 HE2 TYR 63 HE2 TYR 63 -5.425 -25.424 -0.890 9 HH TYR 63 HH TYR 63 -7.425 -25.033 0.190 No H/Q in entry = 9 Start of MODEL 16 1 H LEU 64 H LEU 64 -1.741 -21.079 -5.244 2 HA LEU 64 HA LEU 64 -3.781 -22.979 -6.299 3 HB2 LEU 64 1HB LEU 64 -2.054 -20.910 -7.603 4 HB3 LEU 64 2HB LEU 64 -2.924 -22.192 -8.468 5 HG LEU 64 HG LEU 64 -5.074 -21.477 -7.542 6 HD12 LEU 64 HD11 LEU 64 -5.035 -19.027 -6.595 7 HD11 LEU 64 HD12 LEU 64 -3.393 -19.427 -6.103 8 HD13 LEU 64 HD13 LEU 64 -4.743 -20.376 -5.497 9 HD22 LEU 64 HD21 LEU 64 -4.511 -20.710 -9.695 10 HD21 LEU 64 HD22 LEU 64 -3.390 -19.481 -9.075 11 HD23 LEU 64 HD23 LEU 64 -5.145 -19.291 -8.851 No H/Q in entry = 11 Start of MODEL 16 1 H LEU 65 H LEU 65 -2.956 -25.019 -5.875 2 HA LEU 65 HA LEU 65 -0.269 -25.816 -6.742 3 HB2 LEU 65 1HB LEU 65 -1.546 -26.925 -4.837 4 HB3 LEU 65 2HB LEU 65 -2.724 -27.473 -6.025 5 HG LEU 65 HG LEU 65 -0.789 -28.617 -7.264 6 HD12 LEU 65 HD11 LEU 65 1.161 -29.150 -5.773 7 HD11 LEU 65 HD12 LEU 65 0.607 -27.908 -4.648 8 HD13 LEU 65 HD13 LEU 65 1.123 -27.472 -6.300 9 HD21 LEU 65 HD21 LEU 65 -2.435 -29.831 -5.868 10 HD23 LEU 65 HD22 LEU 65 -1.432 -29.535 -4.429 11 HD22 LEU 65 HD23 LEU 65 -0.821 -30.553 -5.757 No H/Q in entry = 11 Start of MODEL 16 1 H TYR 66 H TYR 66 0.113 -25.991 -8.933 2 HA TYR 66 HA TYR 66 -2.167 -26.589 -10.766 3 HB2 TYR 66 1HB TYR 66 0.537 -25.337 -11.280 4 HB3 TYR 66 2HB TYR 66 -0.587 -25.880 -12.523 5 HD1 TYR 66 HD1 TYR 66 -2.554 -24.633 -13.119 6 HD2 TYR 66 HD2 TYR 66 -0.027 -23.349 -9.873 7 HE1 TYR 66 HE1 TYR 66 -3.536 -22.366 -13.257 8 HE2 TYR 66 HE2 TYR 66 -1.056 -21.095 -9.974 9 HH TYR 66 HH TYR 66 -3.464 -20.202 -12.471 No H/Q in entry = 9 Start of MODEL 16 1 H TYR 67 H TYR 67 -2.277 -28.784 -10.474 2 HA TYR 67 HA TYR 67 0.179 -30.382 -10.758 3 HB2 TYR 67 1HB TYR 67 -0.936 -32.085 -9.533 4 HB3 TYR 67 2HB TYR 67 -0.823 -30.559 -8.682 5 HD1 TYR 67 HD1 TYR 67 -2.893 -29.083 -8.473 6 HD2 TYR 67 HD2 TYR 67 -3.023 -33.217 -9.654 7 HE1 TYR 67 HE1 TYR 67 -5.326 -29.126 -8.017 8 HE2 TYR 67 HE2 TYR 67 -5.426 -33.301 -9.096 9 HH TYR 67 HH TYR 67 -7.240 -30.417 -7.969 No H/Q in entry = 9 Start of MODEL 16 1 H THR 68 H THR 68 0.399 -30.652 -12.980 2 HA THR 68 HA THR 68 -1.619 -32.188 -14.492 3 HB THR 68 HB THR 68 -0.377 -30.506 -15.687 4 HG1 THR 68 HG1 THR 68 0.406 -31.889 -17.320 5 HG22 THR 68 HG21 THR 68 2.077 -30.783 -16.124 6 HG21 THR 68 HG22 THR 68 2.144 -32.023 -14.870 7 HG23 THR 68 HG23 THR 68 1.718 -30.348 -14.456 No H/Q in entry = 7 Start of MODEL 16 1 H GLU 69 H GLU 69 -1.123 -34.352 -15.296 2 HA GLU 69 HA GLU 69 0.757 -35.943 -13.596 3 HB2 GLU 69 1HB GLU 69 -1.658 -36.438 -13.347 4 HB3 GLU 69 2HB GLU 69 -1.729 -36.884 -15.057 5 HG2 GLU 69 1HG GLU 69 0.012 -38.641 -14.638 6 HG3 GLU 69 2HG GLU 69 0.081 -38.150 -12.939 No H/Q in entry = 6 Start of MODEL 16 1 H PHE 70 H PHE 70 2.594 -35.594 -14.868 2 HA PHE 70 HA PHE 70 2.506 -36.244 -17.750 3 HB2 PHE 70 1HB PHE 70 4.648 -35.280 -17.826 4 HB3 PHE 70 2HB PHE 70 3.545 -34.173 -17.011 5 HD1 PHE 70 HD1 PHE 70 3.901 -33.548 -14.666 6 HD2 PHE 70 HD2 PHE 70 6.459 -36.455 -16.561 7 HE1 PHE 70 HE1 PHE 70 5.433 -33.529 -12.694 8 HE2 PHE 70 HE2 PHE 70 7.874 -36.524 -14.526 9 HZ PHE 70 HZ PHE 70 7.304 -35.075 -12.575 No H/Q in entry = 9 Start of MODEL 16 1 H THR 71 H THR 71 3.851 -37.828 -18.714 2 HA THR 71 HA THR 71 5.051 -39.885 -16.971 3 HB THR 71 HB THR 71 4.620 -39.856 -19.952 4 HG1 THR 71 HG1 THR 71 2.722 -39.895 -18.644 5 HG21 THR 71 HG21 THR 71 6.492 -41.357 -19.202 6 HG23 THR 71 HG22 THR 71 5.079 -42.270 -19.754 7 HG22 THR 71 HG23 THR 71 5.395 -42.092 -18.017 No H/Q in entry = 7 Start of MODEL 16 1 HA PRO 72 HA PRO 72 9.014 -37.782 -18.136 2 HB2 PRO 72 1HB PRO 72 10.621 -38.802 -16.212 3 HB3 PRO 72 2HB PRO 72 9.368 -37.597 -15.842 4 HG2 PRO 72 1HG PRO 72 9.186 -40.603 -15.518 5 HG3 PRO 72 2HG PRO 72 8.737 -39.350 -14.328 6 HD2 PRO 72 1HD PRO 72 6.966 -40.604 -16.051 7 HD3 PRO 72 2HD PRO 72 6.703 -38.944 -15.430 No H/Q in entry = 7 Start of MODEL 16 1 H THR 73 H THR 73 8.669 -39.161 -20.126 2 HA THR 73 HA THR 73 9.513 -41.883 -20.189 3 HB THR 73 HB THR 73 9.176 -39.919 -22.495 4 HG1 THR 73 HG1 THR 73 7.365 -41.709 -21.263 5 HG23 THR 73 HG21 THR 73 10.373 -42.014 -23.144 6 HG22 THR 73 HG22 THR 73 8.731 -41.966 -23.807 7 HG21 THR 73 HG23 THR 73 9.082 -42.973 -22.389 No H/Q in entry = 7 Start of MODEL 16 1 H GLU 74 H GLU 74 11.080 -39.223 -22.065 2 HA GLU 74 HA GLU 74 13.614 -39.517 -20.863 3 HB2 GLU 74 1HB GLU 74 13.156 -41.602 -22.671 4 HB3 GLU 74 2HB GLU 74 13.955 -40.417 -23.691 5 HG2 GLU 74 1HG GLU 74 15.018 -41.492 -21.033 6 HG3 GLU 74 2HG GLU 74 15.468 -42.083 -22.633 No H/Q in entry = 6 Start of MODEL 16 1 H LYS 75 H LYS 75 15.039 -37.912 -21.624 2 HA LYS 75 HA LYS 75 15.620 -35.899 -22.404 3 HB2 LYS 75 1HB LYS 75 14.063 -36.551 -24.937 4 HB3 LYS 75 2HB LYS 75 15.449 -35.466 -24.742 5 HG2 LYS 75 1HG LYS 75 16.781 -37.524 -23.991 6 HG3 LYS 75 2HG LYS 75 15.401 -38.497 -24.557 7 HD2 LYS 75 1HD LYS 75 15.623 -37.284 -26.796 8 HD3 LYS 75 2HD LYS 75 17.169 -36.652 -26.201 9 HE2 LYS 75 1HE LYS 75 16.390 -39.583 -26.567 10 HE3 LYS 75 2HE LYS 75 17.530 -38.661 -27.562 11 HZ2 LYS 75 1HZ LYS 75 17.866 -39.304 -24.716 12 HZ1 LYS 75 2HZ LYS 75 18.936 -38.450 -25.644 13 HZ3 LYS 75 3HZ LYS 75 18.636 -40.040 -25.970 No H/Q in entry = 13 Start of MODEL 16 1 H ASP 76 H ASP 76 13.170 -36.119 -20.859 2 HA ASP 76 HA ASP 76 11.323 -34.103 -21.943 3 HB2 ASP 76 1HB ASP 76 9.934 -34.798 -20.018 4 HB3 ASP 76 2HB ASP 76 10.353 -36.116 -21.112 No H/Q in entry = 4 Start of MODEL 16 1 H GLU 77 H GLU 77 10.637 -32.303 -20.676 2 HA GLU 77 HA GLU 77 12.020 -31.655 -18.211 3 HB2 GLU 77 1HB GLU 77 12.997 -29.609 -18.831 4 HB3 GLU 77 2HB GLU 77 13.527 -30.787 -20.019 5 HG2 GLU 77 1HG GLU 77 13.043 -28.981 -21.369 6 HG3 GLU 77 2HG GLU 77 11.554 -29.915 -21.495 No H/Q in entry = 6 Start of MODEL 16 1 H TYR 78 H TYR 78 10.535 -30.957 -16.882 2 HA TYR 78 HA TYR 78 7.967 -29.841 -17.858 3 HB2 TYR 78 1HB TYR 78 8.843 -31.104 -15.260 4 HB3 TYR 78 2HB TYR 78 7.242 -30.444 -15.565 5 HD1 TYR 78 HD1 TYR 78 5.779 -31.424 -17.350 6 HD2 TYR 78 HD2 TYR 78 9.571 -33.201 -16.352 7 HE1 TYR 78 HE1 TYR 78 5.342 -33.279 -18.927 8 HE2 TYR 78 HE2 TYR 78 9.015 -35.170 -17.733 9 HH TYR 78 HH TYR 78 7.609 -36.029 -19.341 No H/Q in entry = 9 Start of MODEL 16 1 H ALA 79 H ALA 79 7.589 -27.646 -17.606 2 HA ALA 79 HA ALA 79 9.249 -26.121 -15.657 3 HB1 ALA 79 1HB ALA 79 10.392 -26.062 -17.812 4 HB3 ALA 79 2HB ALA 79 8.912 -25.493 -18.615 5 HB2 ALA 79 3HB ALA 79 9.728 -24.469 -17.411 No H/Q in entry = 5 Start of MODEL 16 1 H CYS 80 H CYS 80 7.974 -25.022 -14.358 2 HA CYS 80 HA CYS 80 5.269 -24.228 -15.177 3 HB2 CYS 80 1HB CYS 80 5.914 -25.270 -12.945 4 HB3 CYS 80 2HB CYS 80 6.630 -23.710 -12.525 No H/Q in entry = 4 Start of MODEL 16 1 H ARG 81 H ARG 81 5.016 -22.353 -16.244 2 HA ARG 81 HA ARG 81 7.129 -20.289 -16.298 3 HB2 ARG 81 1HB ARG 81 6.354 -21.261 -18.372 4 HB3 ARG 81 2HB ARG 81 4.686 -20.817 -17.993 5 HG2 ARG 81 1HG ARG 81 5.178 -18.452 -18.185 6 HG3 ARG 81 2HG ARG 81 6.910 -18.773 -18.352 7 HD2 ARG 81 1HD ARG 81 6.452 -20.053 -20.433 8 HD3 ARG 81 2HD ARG 81 4.731 -19.691 -20.291 9 HE ARG 81 HE ARG 81 6.866 -18.009 -21.290 10 HH12 ARG 81 HH11 ARG 81 3.296 -16.267 -20.447 11 HH11 ARG 81 HH12 ARG 81 3.641 -17.850 -19.796 12 HH21 ARG 81 HH21 ARG 81 6.380 -15.957 -22.131 13 HH22 ARG 81 HH22 ARG 81 4.848 -15.196 -21.771 No H/Q in entry = 13 Start of MODEL 16 1 H VAL 82 H VAL 82 6.740 -19.277 -14.258 2 HA VAL 82 HA VAL 82 3.975 -18.622 -13.512 3 HB VAL 82 HB VAL 82 6.528 -18.287 -11.898 4 HG12 VAL 82 HG11 VAL 82 3.611 -18.580 -11.063 5 HG13 VAL 82 HG12 VAL 82 5.002 -18.333 -9.990 6 HG11 VAL 82 HG13 VAL 82 4.488 -17.040 -11.087 7 HG22 VAL 82 HG21 VAL 82 6.380 -20.634 -12.484 8 HG23 VAL 82 HG22 VAL 82 5.801 -20.450 -10.831 9 HG21 VAL 82 HG23 VAL 82 4.636 -20.653 -12.150 No H/Q in entry = 9 Start of MODEL 16 1 H ASN 83 H ASN 83 3.791 -17.038 -15.327 2 HA ASN 83 HA ASN 83 5.111 -14.435 -14.957 3 HB2 ASN 83 1HB ASN 83 2.944 -15.487 -16.789 4 HB3 ASN 83 2HB ASN 83 3.185 -13.749 -16.578 5 HD21 ASN 83 HD21 ASN 83 5.061 -12.756 -17.422 6 HD22 ASN 83 HD22 ASN 83 6.146 -13.602 -18.503 No H/Q in entry = 6 Start of MODEL 16 1 H HIS 84 H HIS 84 3.985 -12.568 -14.284 2 HA HIS 84 HA HIS 84 1.481 -12.680 -12.834 3 HB2 HIS 84 1HB HIS 84 3.081 -13.774 -11.222 4 HB3 HIS 84 2HB HIS 84 4.121 -12.357 -11.338 5 HD2 HIS 84 HD2 HIS 84 0.314 -12.882 -10.222 6 HE1 HIS 84 HE1 HIS 84 2.295 -10.249 -7.577 7 HE2 HIS 84 HE2 HIS 84 0.077 -11.429 -8.064 No H/Q in entry = 7 Start of MODEL 16 1 H VAL 85 H VAL 85 1.024 -10.436 -11.971 2 HA VAL 85 HA VAL 85 1.620 -8.522 -13.925 3 HB VAL 85 HB VAL 85 -0.364 -8.544 -12.471 4 HG12 VAL 85 HG11 VAL 85 1.427 -7.319 -10.326 5 HG13 VAL 85 HG12 VAL 85 -0.324 -7.559 -10.260 6 HG11 VAL 85 HG13 VAL 85 0.758 -8.968 -10.291 7 HG21 VAL 85 HG21 VAL 85 0.223 -6.549 -13.793 8 HG22 VAL 85 HG22 VAL 85 -0.598 -6.124 -12.284 9 HG23 VAL 85 HG23 VAL 85 1.156 -5.904 -12.426 No H/Q in entry = 9 Start of MODEL 16 1 H THR 86 H THR 86 3.253 -9.135 -10.796 2 HA THR 86 HA THR 86 5.066 -6.883 -11.052 3 HB THR 86 HB THR 86 6.245 -7.827 -9.197 4 HG1 THR 86 HG1 THR 86 4.606 -10.114 -9.486 5 HG22 THR 86 HG21 THR 86 3.246 -8.222 -8.775 6 HG21 THR 86 HG22 THR 86 4.131 -6.686 -8.665 7 HG23 THR 86 HG23 THR 86 4.474 -8.005 -7.519 No H/Q in entry = 7 Start of MODEL 16 1 H LEU 87 H LEU 87 5.255 -10.419 -11.641 2 HA LEU 87 HA LEU 87 7.952 -10.293 -12.731 3 HB2 LEU 87 1HB LEU 87 5.934 -12.548 -12.843 4 HB3 LEU 87 2HB LEU 87 7.663 -12.659 -13.150 5 HG LEU 87 HG LEU 87 6.451 -11.903 -10.440 6 HD11 LEU 87 HD11 LEU 87 7.436 -14.567 -11.511 7 HD13 LEU 87 HD12 LEU 87 5.787 -14.164 -11.000 8 HD12 LEU 87 HD13 LEU 87 7.090 -14.232 -9.799 9 HD23 LEU 87 HD21 LEU 87 8.713 -12.453 -9.592 10 HD22 LEU 87 HD22 LEU 87 8.772 -11.097 -10.727 11 HD21 LEU 87 HD23 LEU 87 9.277 -12.720 -11.255 No H/Q in entry = 11 Start of MODEL 16 1 H SER 88 H SER 88 7.417 -8.596 -14.302 2 HA SER 88 HA SER 88 5.848 -8.889 -16.603 3 HB2 SER 88 1HB SER 88 7.080 -6.840 -15.932 4 HB3 SER 88 2HB SER 88 8.617 -7.639 -16.326 5 HG SER 88 HG SER 88 7.772 -7.889 -18.476 No H/Q in entry = 5 Start of MODEL 16 1 H GLN 89 H GLN 89 8.928 -10.415 -15.712 2 HA GLN 89 HA GLN 89 9.383 -11.461 -18.417 3 HB2 GLN 89 1HB GLN 89 10.945 -11.714 -15.819 4 HB3 GLN 89 2HB GLN 89 11.420 -12.441 -17.365 5 HG2 GLN 89 1HG GLN 89 11.350 -10.142 -18.404 6 HG3 GLN 89 2HG GLN 89 11.108 -9.464 -16.785 7 HE21 GLN 89 HE21 GLN 89 13.400 -9.469 -18.924 8 HE22 GLN 89 HE22 GLN 89 14.825 -9.813 -17.968 No H/Q in entry = 8 Start of MODEL 16 1 HA PRO 90 HA PRO 90 7.449 -15.373 -17.317 2 HB2 PRO 90 1HB PRO 90 8.568 -17.074 -19.137 3 HB3 PRO 90 2HB PRO 90 7.395 -15.806 -19.592 4 HG2 PRO 90 1HG PRO 90 10.413 -15.654 -19.752 5 HG3 PRO 90 2HG PRO 90 9.224 -15.239 -21.020 6 HD2 PRO 90 1HD PRO 90 10.330 -13.352 -19.389 7 HD3 PRO 90 2HD PRO 90 8.623 -13.232 -19.915 No H/Q in entry = 7 Start of MODEL 16 1 H LYS 91 H LYS 91 7.915 -16.350 -15.487 2 HA LYS 91 HA LYS 91 10.704 -16.792 -14.658 3 HB2 LYS 91 1HB LYS 91 9.021 -15.715 -13.204 4 HB3 LYS 91 2HB LYS 91 8.062 -17.200 -13.218 5 HG2 LYS 91 1HG LYS 91 9.897 -18.413 -12.100 6 HG3 LYS 91 2HG LYS 91 10.927 -16.966 -12.190 7 HD2 LYS 91 1HD LYS 91 9.295 -15.717 -10.800 8 HD3 LYS 91 2HD LYS 91 8.269 -17.163 -10.700 9 HE2 LYS 91 1HE LYS 91 10.185 -18.359 -9.592 10 HE3 LYS 91 2HE LYS 91 11.099 -16.840 -9.614 11 HZ3 LYS 91 1HZ LYS 91 9.375 -15.858 -8.287 12 HZ2 LYS 91 2HZ LYS 91 9.994 -17.189 -7.534 13 HZ1 LYS 91 3HZ LYS 91 8.522 -17.269 -8.272 No H/Q in entry = 13 Start of MODEL 16 1 H ILE 92 H ILE 92 11.200 -18.402 -16.240 2 HA ILE 92 HA ILE 92 9.687 -20.869 -16.481 3 HB ILE 92 HB ILE 92 12.477 -20.115 -17.442 4 HG13 ILE 92 HG12 ILE 92 11.535 -19.643 -19.607 5 HG21 ILE 92 HG21 ILE 92 10.643 -22.409 -18.243 6 HG22 ILE 92 HG22 ILE 92 12.112 -21.935 -19.119 7 HG23 ILE 92 HG23 ILE 92 12.227 -22.535 -17.463 8 HD11 ILE 92 HD11 ILE 92 8.787 -20.058 -18.364 9 HD12 ILE 92 HD12 ILE 92 9.111 -19.325 -19.943 10 HD13 ILE 92 HD13 ILE 92 9.505 -21.025 -19.670 11 HG12 ILE 92 HG11 ILE 92 10.825 -18.580 -18.402 No H/Q in entry = 11 Start of MODEL 16 1 H VAL 93 H VAL 93 9.543 -21.677 -14.351 2 HA VAL 93 HA VAL 93 11.924 -22.121 -12.753 3 HB VAL 93 HB VAL 93 9.146 -23.327 -12.375 4 HG11 VAL 93 HG11 VAL 93 11.562 -22.906 -10.546 5 HG12 VAL 93 HG12 VAL 93 9.962 -23.352 -9.961 6 HG13 VAL 93 HG13 VAL 93 10.839 -24.461 -11.022 7 HG22 VAL 93 HG21 VAL 93 8.928 -20.892 -12.417 8 HG23 VAL 93 HG22 VAL 93 8.746 -21.533 -10.790 9 HG21 VAL 93 HG23 VAL 93 10.275 -20.742 -11.266 No H/Q in entry = 9 Start of MODEL 16 1 H LYS 94 H LYS 94 12.995 -24.075 -12.430 2 HA LYS 94 HA LYS 94 12.598 -26.165 -14.524 3 HB2 LYS 94 1HB LYS 94 15.013 -25.452 -12.815 4 HB3 LYS 94 2HB LYS 94 14.933 -26.739 -14.035 5 HG2 LYS 94 1HG LYS 94 14.418 -25.041 -15.777 6 HG3 LYS 94 2HG LYS 94 14.537 -23.755 -14.559 7 HD2 LYS 94 1HD LYS 94 16.884 -24.458 -14.072 8 HD3 LYS 94 2HD LYS 94 16.794 -25.625 -15.402 9 HE2 LYS 94 1HE LYS 94 16.423 -22.597 -15.644 10 HE3 LYS 94 2HE LYS 94 17.900 -23.487 -16.051 11 HZ2 LYS 94 1HZ LYS 94 15.295 -23.837 -17.353 12 HZ1 LYS 94 2HZ LYS 94 16.676 -24.663 -17.719 13 HZ3 LYS 94 3HZ LYS 94 16.594 -23.036 -17.974 No H/Q in entry = 13 Start of MODEL 16 1 H TRP 95 H TRP 95 11.181 -27.606 -13.685 2 HA TRP 95 HA TRP 95 10.538 -28.358 -11.171 3 HB2 TRP 95 1HB TRP 95 9.376 -29.233 -13.075 4 HB3 TRP 95 2HB TRP 95 10.845 -29.981 -13.697 5 HD1 TRP 95 HD1 TRP 95 9.042 -30.437 -10.285 6 HE1 TRP 95 HE1 TRP 95 8.845 -32.959 -9.818 7 HE3 TRP 95 HE3 TRP 95 11.011 -32.202 -14.631 8 HZ2 TRP 95 HZ2 TRP 95 9.425 -35.421 -11.182 9 HZ3 TRP 95 HZ3 TRP 95 11.170 -34.664 -15.038 10 HH2 TRP 95 HH2 TRP 95 10.364 -36.266 -13.320 No H/Q in entry = 10 Start of MODEL 16 1 H ASP 96 H ASP 96 11.728 -28.915 -9.489 2 HA ASP 96 HA ASP 96 14.428 -29.969 -9.691 3 HB2 ASP 96 1HB ASP 96 14.206 -29.937 -7.127 4 HB3 ASP 96 2HB ASP 96 14.224 -28.420 -8.017 No H/Q in entry = 4 Start of MODEL 16 1 H ARG 97 H ARG 97 13.795 -31.923 -10.909 2 HA ARG 97 HA ARG 97 12.381 -34.004 -9.511 3 HB2 ARG 97 1HB ARG 97 12.575 -35.297 -11.347 4 HB3 ARG 97 2HB ARG 97 12.513 -33.662 -12.012 5 HG2 ARG 97 1HG ARG 97 15.046 -35.340 -11.743 6 HG3 ARG 97 2HG ARG 97 14.008 -35.252 -13.151 7 HD2 ARG 97 1HD ARG 97 14.427 -32.787 -13.327 8 HD3 ARG 97 2HD ARG 97 15.558 -32.909 -11.979 9 HE ARG 97 HE ARG 97 17.140 -33.805 -13.343 10 HH12 ARG 97 HH11 ARG 97 14.718 -34.794 -16.459 11 HH11 ARG 97 HH12 ARG 97 14.010 -34.079 -15.034 12 HH21 ARG 97 HH21 ARG 97 18.025 -34.750 -15.221 13 HH22 ARG 97 HH22 ARG 97 16.994 -35.170 -16.568 No H/Q in entry = 13 Start of MODEL 16 1 H ASP 98 H ASP 98 15.832 -33.301 -10.089 2 HA ASP 98 HA ASP 98 16.835 -35.808 -9.296 3 HB2 ASP 98 1HB ASP 98 18.063 -34.176 -10.662 4 HB3 ASP 98 2HB ASP 98 18.180 -33.071 -9.286 No H/Q in entry = 4 Start of MODEL 16 1 H MET 99 H MET 99 16.825 -32.700 -7.462 2 HA MET 99 HA MET 99 17.520 -34.045 -4.976 3 HB2 MET 99 1HB MET 99 18.379 -31.803 -5.564 4 HB3 MET 99 2HB MET 99 16.730 -31.165 -5.557 5 HG2 MET 99 1HG MET 99 17.851 -30.616 -3.481 6 HG3 MET 99 2HG MET 99 16.517 -31.727 -3.156 7 HE1 MET 99 1HE MET 99 17.476 -32.051 -0.730 8 HE2 MET 99 2HE MET 99 19.142 -32.570 -0.371 9 HE3 MET 99 3HE MET 99 18.845 -30.969 -1.090 No H/Q in entry = 9 Start of MODEL 17 1 H1 MET 0 2H MET 0 0.461 -1.188 1.545 2 H2 MET 0 3H MET 0 1.711 -0.120 1.650 3 H3 MET 0 1H MET 0 0.399 0.229 0.709 4 HA MET 0 HA MET 0 0.874 -1.496 -0.782 5 HB2 MET 0 1HB MET 0 3.411 0.109 -0.246 6 HB3 MET 0 2HB MET 0 3.002 -0.773 -1.722 7 HG2 MET 0 1HG MET 0 2.509 1.411 -2.258 8 HG3 MET 0 2HG MET 0 0.925 0.734 -1.882 9 HE1 MET 0 1HE MET 0 0.087 3.281 -1.921 10 HE2 MET 0 2HE MET 0 0.759 4.561 -0.878 11 HE3 MET 0 3HE MET 0 1.743 3.873 -2.192 No H/Q in entry = 11 Start of MODEL 17 1 H ILE 1 H ILE 1 1.500 -3.569 -0.983 2 HA ILE 1 HA ILE 1 3.925 -4.586 0.232 3 HB ILE 1 HB ILE 1 2.494 -4.676 2.157 4 HG13 ILE 1 HG12 ILE 1 4.176 -6.438 1.709 5 HG23 ILE 1 HG21 ILE 1 0.441 -5.796 2.375 6 HG21 ILE 1 HG22 ILE 1 0.264 -4.843 0.906 7 HG22 ILE 1 HG23 ILE 1 0.567 -6.591 0.802 8 HD13 ILE 1 HD11 ILE 1 3.448 -8.009 3.398 9 HD11 ILE 1 HD12 ILE 1 2.926 -6.381 3.880 10 HD12 ILE 1 HD13 ILE 1 1.752 -7.535 3.199 11 HG12 ILE 1 HG11 ILE 1 2.908 -7.466 1.030 No H/Q in entry = 11 Start of MODEL 17 1 H GLN 2 H GLN 2 4.456 -4.865 -1.931 2 HA GLN 2 HA GLN 2 2.752 -6.444 -3.690 3 HB2 GLN 2 1HB GLN 2 4.006 -4.468 -4.467 4 HB3 GLN 2 2HB GLN 2 5.538 -5.283 -4.116 5 HG2 GLN 2 1HG GLN 2 4.941 -7.078 -5.737 6 HG3 GLN 2 2HG GLN 2 3.395 -6.275 -6.055 7 HE21 GLN 2 HE21 GLN 2 3.544 -3.970 -6.902 8 HE22 GLN 2 HE22 GLN 2 4.847 -3.611 -8.012 No H/Q in entry = 8 Start of MODEL 17 1 H ARG 3 H ARG 3 2.641 -8.511 -2.788 2 HA ARG 3 HA ARG 3 5.110 -10.017 -2.234 3 HB2 ARG 3 1HB ARG 3 2.232 -10.956 -2.067 4 HB3 ARG 3 2HB ARG 3 3.683 -11.749 -1.435 5 HG2 ARG 3 1HG ARG 3 4.052 -9.631 -0.013 6 HG3 ARG 3 2HG ARG 3 2.429 -9.134 -0.525 7 HD2 ARG 3 1HD ARG 3 2.239 -10.191 1.639 8 HD3 ARG 3 2HD ARG 3 1.487 -11.224 0.425 9 HE ARG 3 HE ARG 3 3.022 -12.867 0.825 10 HH12 ARG 3 HH11 ARG 3 5.596 -10.658 3.064 11 HH11 ARG 3 HH12 ARG 3 4.291 -9.850 2.232 12 HH21 ARG 3 HH21 ARG 3 4.737 -13.885 1.922 13 HH22 ARG 3 HH22 ARG 3 5.854 -12.946 2.884 No H/Q in entry = 13 Start of MODEL 17 1 H THR 4 H THR 4 6.007 -11.430 -3.611 2 HA THR 4 HA THR 4 4.925 -11.660 -6.326 3 HB THR 4 HB THR 4 7.239 -12.574 -6.776 4 HG1 THR 4 HG1 THR 4 7.699 -11.892 -4.073 5 HG23 THR 4 HG21 THR 4 8.419 -10.454 -6.442 6 HG22 THR 4 HG22 THR 4 7.164 -9.894 -5.320 7 HG21 THR 4 HG23 THR 4 6.772 -10.167 -7.031 No H/Q in entry = 7 Start of MODEL 17 1 HA PRO 5 HA PRO 5 3.753 -15.998 -5.958 2 HB2 PRO 5 1HB PRO 5 4.670 -17.019 -8.376 3 HB3 PRO 5 2HB PRO 5 3.197 -16.032 -8.208 4 HG2 PRO 5 1HG PRO 5 5.969 -15.125 -8.971 5 HG3 PRO 5 2HG PRO 5 4.421 -14.750 -9.794 6 HD2 PRO 5 1HD PRO 5 5.503 -12.986 -8.105 7 HD3 PRO 5 2HD PRO 5 3.752 -13.307 -8.002 No H/Q in entry = 7 Start of MODEL 17 1 H LYS 6 H LYS 6 4.961 -16.942 -4.341 2 HA LYS 6 HA LYS 6 7.820 -17.480 -4.660 3 HB2 LYS 6 1HB LYS 6 7.026 -16.902 -2.480 4 HB3 LYS 6 2HB LYS 6 5.828 -18.204 -2.493 5 HG2 LYS 6 1HG LYS 6 7.598 -19.902 -2.537 6 HG3 LYS 6 2HG LYS 6 8.836 -18.640 -2.707 7 HD2 LYS 6 1HD LYS 6 8.275 -17.778 -0.463 8 HD3 LYS 6 2HD LYS 6 6.941 -18.941 -0.336 9 HE2 LYS 6 1HE LYS 6 8.871 -19.747 0.926 10 HE3 LYS 6 2HE LYS 6 8.545 -20.826 -0.441 11 HZ3 LYS 6 1HZ LYS 6 10.320 -19.783 -1.624 12 HZ2 LYS 6 2HZ LYS 6 10.871 -20.324 -0.170 13 HZ1 LYS 6 3HZ LYS 6 10.589 -18.716 -0.395 No H/Q in entry = 13 Start of MODEL 17 1 H ILE 7 H ILE 7 8.414 -19.008 -6.004 2 HA ILE 7 HA ILE 7 6.732 -21.131 -6.932 3 HB ILE 7 HB ILE 7 8.701 -21.784 -8.244 4 HG13 ILE 7 HG12 ILE 7 10.525 -21.369 -6.690 5 HG21 ILE 7 HG21 ILE 7 7.148 -20.010 -8.972 6 HG22 ILE 7 HG22 ILE 7 8.205 -18.777 -8.251 7 HG23 ILE 7 HG23 ILE 7 8.773 -19.754 -9.606 8 HD13 ILE 7 HD11 ILE 7 12.144 -20.327 -8.064 9 HD11 ILE 7 HD12 ILE 7 11.029 -21.186 -9.141 10 HD12 ILE 7 HD13 ILE 7 10.928 -19.415 -8.970 11 HG12 ILE 7 HG11 ILE 7 10.196 -19.629 -6.667 No H/Q in entry = 11 Start of MODEL 17 1 H GLN 8 H GLN 8 6.600 -23.215 -6.367 2 HA GLN 8 HA GLN 8 8.668 -24.554 -4.755 3 HB2 GLN 8 1HB GLN 8 5.758 -24.373 -3.873 4 HB3 GLN 8 2HB GLN 8 6.987 -25.434 -3.178 5 HG2 GLN 8 1HG GLN 8 8.259 -23.422 -2.431 6 HG3 GLN 8 2HG GLN 8 7.010 -22.381 -3.145 7 HE21 GLN 8 HE21 GLN 8 7.021 -25.281 -0.973 8 HE22 GLN 8 HE22 GLN 8 5.906 -24.591 0.186 No H/Q in entry = 8 Start of MODEL 17 1 H VAL 9 H VAL 9 8.925 -25.429 -6.926 2 HA VAL 9 HA VAL 9 6.681 -26.955 -8.085 3 HB VAL 9 HB VAL 9 9.365 -26.285 -9.253 4 HG11 VAL 9 HG11 VAL 9 8.119 -28.092 -10.421 5 HG12 VAL 9 HG12 VAL 9 6.705 -27.028 -10.559 6 HG13 VAL 9 HG13 VAL 9 8.211 -26.636 -11.415 7 HG23 VAL 9 HG21 VAL 9 8.069 -24.464 -10.473 8 HG21 VAL 9 HG22 VAL 9 6.769 -24.711 -9.291 9 HG22 VAL 9 HG23 VAL 9 8.372 -24.160 -8.755 No H/Q in entry = 9 Start of MODEL 17 1 H TYR 10 H TYR 10 6.861 -28.645 -6.485 2 HA TYR 10 HA TYR 10 9.111 -30.572 -6.810 3 HB2 TYR 10 1HB TYR 10 8.292 -31.624 -4.835 4 HB3 TYR 10 2HB TYR 10 8.693 -29.934 -4.613 5 HD1 TYR 10 HD1 TYR 10 6.864 -28.221 -4.317 6 HD2 TYR 10 HD2 TYR 10 6.123 -32.463 -4.254 7 HE1 TYR 10 HE1 TYR 10 4.661 -27.823 -3.254 8 HE2 TYR 10 HE2 TYR 10 3.940 -32.069 -3.169 9 HH TYR 10 HH TYR 10 2.440 -30.501 -2.405 No H/Q in entry = 9 Start of MODEL 17 1 H SER 11 H SER 11 8.537 -32.914 -7.155 2 HA SER 11 HA SER 11 6.012 -33.379 -8.628 3 HB2 SER 11 1HB SER 11 7.014 -35.673 -8.865 4 HB3 SER 11 2HB SER 11 7.749 -34.354 -9.756 5 HG SER 11 HG SER 11 9.242 -35.762 -8.632 No H/Q in entry = 5 Start of MODEL 17 1 H ARG 12 H ARG 12 4.619 -35.069 -8.028 2 HA ARG 12 HA ARG 12 4.308 -35.535 -5.173 3 HB2 ARG 12 1HB ARG 12 2.342 -35.074 -6.591 4 HB3 ARG 12 2HB ARG 12 2.725 -36.468 -7.591 5 HG2 ARG 12 1HG ARG 12 0.881 -36.941 -6.094 6 HG3 ARG 12 2HG ARG 12 2.239 -37.998 -5.709 7 HD2 ARG 12 1HD ARG 12 1.661 -35.396 -4.236 8 HD3 ARG 12 2HD ARG 12 0.969 -36.951 -3.739 9 HE ARG 12 HE ARG 12 3.514 -37.669 -3.802 10 HH12 ARG 12 HH11 ARG 12 3.547 -34.449 -1.339 11 HH11 ARG 12 HH12 ARG 12 2.165 -34.685 -2.381 12 HH21 ARG 12 HH21 ARG 12 5.270 -37.318 -2.452 13 HH22 ARG 12 HH22 ARG 12 5.301 -35.953 -1.360 No H/Q in entry = 13 Start of MODEL 17 1 H HIS 13 H HIS 13 4.739 -37.468 -8.158 2 HA HIS 13 HA HIS 13 5.532 -39.893 -6.701 3 HB2 HIS 13 1HB HIS 13 5.164 -39.178 -9.629 4 HB3 HIS 13 2HB HIS 13 5.633 -40.781 -9.095 5 HD1 HIS 13 HD1 HIS 13 3.822 -42.359 -8.284 6 HD2 HIS 13 HD2 HIS 13 2.442 -38.440 -8.815 7 HE1 HIS 13 HE1 HIS 13 1.295 -42.399 -8.011 No H/Q in entry = 7 Start of MODEL 17 1 HA PRO 14 HA PRO 14 9.932 -39.189 -7.408 2 HB2 PRO 14 1HB PRO 14 10.915 -41.704 -7.839 3 HB3 PRO 14 2HB PRO 14 10.309 -41.164 -6.247 4 HG2 PRO 14 1HG PRO 14 8.777 -42.706 -8.364 5 HG3 PRO 14 2HG PRO 14 8.961 -43.123 -6.633 6 HD2 PRO 14 1HD PRO 14 6.775 -41.811 -7.506 7 HD3 PRO 14 2HD PRO 14 7.540 -41.324 -5.971 No H/Q in entry = 7 Start of MODEL 17 1 H ALA 15 H ALA 15 11.532 -39.222 -9.111 2 HA ALA 15 HA ALA 15 10.340 -38.915 -11.753 3 HB3 ALA 15 1HB ALA 15 12.531 -37.961 -12.307 4 HB1 ALA 15 2HB ALA 15 11.880 -37.263 -10.809 5 HB2 ALA 15 3HB ALA 15 13.172 -38.476 -10.728 No H/Q in entry = 5 Start of MODEL 17 1 H GLU 16 H GLU 16 9.855 -41.395 -11.620 2 HA GLU 16 HA GLU 16 12.103 -43.134 -12.318 3 HB2 GLU 16 1HB GLU 16 10.221 -43.826 -10.841 4 HB3 GLU 16 2HB GLU 16 9.122 -43.716 -12.228 5 HG2 GLU 16 1HG GLU 16 10.558 -45.419 -13.421 6 HG3 GLU 16 2HG GLU 16 11.560 -45.541 -11.964 No H/Q in entry = 6 Start of MODEL 17 1 H ASN 17 H ASN 17 12.579 -43.883 -14.337 2 HA ASN 17 HA ASN 17 11.859 -42.400 -16.628 3 HB2 ASN 17 1HB ASN 17 13.986 -43.616 -16.339 4 HB3 ASN 17 2HB ASN 17 13.122 -45.159 -16.367 5 HD21 ASN 17 HD21 ASN 17 13.853 -42.231 -18.311 6 HD22 ASN 17 HD22 ASN 17 13.699 -43.007 -19.872 No H/Q in entry = 6 Start of MODEL 17 1 H GLY 18 H GLY 18 10.061 -42.486 -17.836 2 HA3 GLY 18 1HA GLY 18 8.214 -43.204 -18.939 3 HA2 GLY 18 2HA GLY 18 8.926 -44.825 -18.912 No H/Q in entry = 3 Start of MODEL 17 1 H LYS 19 H LYS 19 7.524 -42.569 -16.442 2 HA LYS 19 HA LYS 19 5.308 -44.378 -15.915 3 HB2 LYS 19 1HB LYS 19 7.227 -45.388 -14.599 4 HB3 LYS 19 2HB LYS 19 7.320 -43.859 -13.705 5 HG2 LYS 19 1HG LYS 19 4.967 -44.163 -12.947 6 HG3 LYS 19 2HG LYS 19 4.885 -45.677 -13.876 7 HD2 LYS 19 1HD LYS 19 6.819 -46.546 -12.497 8 HD3 LYS 19 2HD LYS 19 6.770 -45.039 -11.560 9 HE2 LYS 19 1HE LYS 19 5.626 -46.759 -10.320 10 HE3 LYS 19 2HE LYS 19 4.417 -45.588 -10.880 11 HZ2 LYS 19 1HZ LYS 19 3.739 -47.869 -11.192 12 HZ1 LYS 19 2HZ LYS 19 5.042 -48.160 -12.161 13 HZ3 LYS 19 3HZ LYS 19 3.874 -47.101 -12.645 No H/Q in entry = 13 Start of MODEL 17 1 H SER 20 H SER 20 3.659 -43.072 -15.615 2 HA SER 20 HA SER 20 3.690 -40.360 -15.758 3 HB2 SER 20 1HB SER 20 1.543 -42.026 -14.395 4 HB3 SER 20 2HB SER 20 1.344 -40.408 -15.102 5 HG SER 20 HG SER 20 1.909 -41.290 -17.116 No H/Q in entry = 5 Start of MODEL 17 1 H ASN 21 H ASN 21 3.676 -38.605 -14.460 2 HA ASN 21 HA ASN 21 3.993 -38.904 -11.530 3 HB2 ASN 21 1HB ASN 21 6.207 -39.124 -12.622 4 HB3 ASN 21 2HB ASN 21 5.963 -37.579 -13.445 5 HD21 ASN 21 HD21 ASN 21 8.086 -38.475 -11.503 6 HD22 ASN 21 HD22 ASN 21 8.030 -37.304 -10.206 No H/Q in entry = 6 Start of MODEL 17 1 H PHE 22 H PHE 22 2.812 -37.378 -10.522 2 HA PHE 22 HA PHE 22 1.675 -35.183 -12.071 3 HB2 PHE 22 1HB PHE 22 1.216 -36.234 -9.277 4 HB3 PHE 22 2HB PHE 22 0.591 -34.675 -9.788 5 HD1 PHE 22 HD1 PHE 22 -1.415 -34.483 -11.019 6 HD2 PHE 22 HD2 PHE 22 0.482 -38.337 -10.617 7 HE1 PHE 22 HE1 PHE 22 -3.473 -35.586 -11.837 8 HE2 PHE 22 HE2 PHE 22 -1.547 -39.423 -11.530 9 HZ PHE 22 HZ PHE 22 -3.526 -38.052 -12.150 No H/Q in entry = 9 Start of MODEL 17 1 H LEU 23 H LEU 23 2.252 -33.061 -11.925 2 HA LEU 23 HA LEU 23 4.656 -32.324 -10.426 3 HB2 LEU 23 1HB LEU 23 3.954 -31.538 -12.794 4 HB3 LEU 23 2HB LEU 23 2.756 -30.529 -11.985 5 HG LEU 23 HG LEU 23 4.561 -29.234 -10.907 6 HD12 LEU 23 HD11 LEU 23 6.932 -29.634 -11.645 7 HD11 LEU 23 HD12 LEU 23 6.429 -31.164 -12.373 8 HD13 LEU 23 HD13 LEU 23 6.330 -30.929 -10.611 9 HD22 LEU 23 HD21 LEU 23 5.476 -28.208 -12.926 10 HD21 LEU 23 HD22 LEU 23 3.764 -28.611 -13.161 11 HD23 LEU 23 HD23 LEU 23 5.027 -29.632 -13.885 No H/Q in entry = 11 Start of MODEL 17 1 H ASN 24 H ASN 24 4.571 -30.329 -8.955 2 HA ASN 24 HA ASN 24 1.904 -29.656 -7.883 3 HB2 ASN 24 1HB ASN 24 4.297 -30.457 -6.171 4 HB3 ASN 24 2HB ASN 24 2.785 -29.789 -5.568 5 HD21 ASN 24 HD21 ASN 24 0.750 -31.152 -6.450 6 HD22 ASN 24 HD22 ASN 24 0.921 -32.881 -6.238 No H/Q in entry = 6 Start of MODEL 17 1 H CYS 25 H CYS 25 2.528 -27.885 -9.410 2 HA CYS 25 HA CYS 25 4.629 -26.041 -8.509 3 HB2 CYS 25 1HB CYS 25 4.114 -26.341 -10.869 4 HB3 CYS 25 2HB CYS 25 2.493 -25.700 -10.630 No H/Q in entry = 4 Start of MODEL 17 1 H TYR 26 H TYR 26 4.024 -25.767 -6.362 2 HA TYR 26 HA TYR 26 1.388 -24.710 -5.617 3 HB2 TYR 26 1HB TYR 26 2.491 -26.531 -4.399 4 HB3 TYR 26 2HB TYR 26 3.842 -25.492 -4.015 5 HD1 TYR 26 HD1 TYR 26 3.706 -23.887 -2.190 6 HD2 TYR 26 HD2 TYR 26 0.253 -26.180 -3.360 7 HE1 TYR 26 HE1 TYR 26 2.617 -23.348 -0.031 8 HE2 TYR 26 HE2 TYR 26 -0.768 -25.766 -1.149 9 HH TYR 26 HH TYR 26 0.733 -23.607 1.283 No H/Q in entry = 9 Start of MODEL 17 1 H VAL 27 H VAL 27 1.371 -22.617 -6.564 2 HA VAL 27 HA VAL 27 3.641 -20.830 -5.994 3 HB VAL 27 HB VAL 27 1.207 -20.344 -7.741 4 HG11 VAL 27 HG11 VAL 27 3.922 -18.984 -7.397 5 HG12 VAL 27 HG12 VAL 27 2.756 -18.605 -8.678 6 HG13 VAL 27 HG13 VAL 27 2.344 -18.280 -6.989 7 HG21 VAL 27 HG21 VAL 27 4.008 -21.365 -8.408 8 HG22 VAL 27 HG22 VAL 27 2.474 -22.234 -8.648 9 HG23 VAL 27 HG23 VAL 27 2.824 -20.792 -9.605 No H/Q in entry = 9 Start of MODEL 17 1 H SER 28 H SER 28 3.543 -19.957 -3.999 2 HA SER 28 HA SER 28 0.947 -19.219 -2.818 3 HB2 SER 28 1HB SER 28 2.257 -19.254 -0.711 4 HB3 SER 28 2HB SER 28 2.229 -20.785 -1.608 5 HG SER 28 HG SER 28 4.318 -20.387 -0.981 No H/Q in entry = 5 Start of MODEL 17 1 H GLY 29 H GLY 29 0.354 -17.224 -2.241 2 HA3 GLY 29 1HA GLY 29 0.435 -15.083 -1.519 3 HA2 GLY 29 2HA GLY 29 2.174 -15.278 -1.292 No H/Q in entry = 3 Start of MODEL 17 1 H PHE 30 H PHE 30 0.254 -15.408 -4.337 2 HA PHE 30 HA PHE 30 1.927 -13.279 -5.519 3 HB2 PHE 30 1HB PHE 30 0.772 -13.846 -7.600 4 HB3 PHE 30 2HB PHE 30 1.707 -15.113 -6.838 5 HD1 PHE 30 HD1 PHE 30 -1.625 -14.131 -8.006 6 HD2 PHE 30 HD2 PHE 30 0.602 -17.091 -5.794 7 HE1 PHE 30 HE1 PHE 30 -3.639 -15.578 -7.897 8 HE2 PHE 30 HE2 PHE 30 -1.399 -18.554 -5.768 9 HZ PHE 30 HZ PHE 30 -3.539 -17.748 -6.693 No H/Q in entry = 9 Start of MODEL 17 1 H HIS 31 H HIS 31 1.272 -11.462 -4.456 2 HA HIS 31 HA HIS 31 -1.571 -10.674 -4.471 3 HB2 HIS 31 1HB HIS 31 0.869 -9.404 -3.245 4 HB3 HIS 31 2HB HIS 31 -0.679 -8.581 -3.381 5 HD1 HIS 31 HD1 HIS 31 -1.973 -8.663 -1.315 6 HD2 HIS 31 HD2 HIS 31 0.096 -12.241 -1.983 7 HE1 HIS 31 HE1 HIS 31 -2.533 -10.226 0.603 No H/Q in entry = 7 Start of MODEL 17 1 HA PRO 32 HA PRO 32 -2.959 -9.065 -4.972 2 HB2 PRO 32 1HB PRO 32 -4.699 -8.273 -6.873 3 HB3 PRO 32 2HB PRO 32 -3.567 -7.162 -6.057 4 HG2 PRO 32 1HG PRO 32 -3.254 -8.420 -8.789 5 HG3 PRO 32 2HG PRO 32 -2.973 -6.728 -8.306 6 HD2 PRO 32 1HD PRO 32 -0.953 -8.627 -8.492 7 HD3 PRO 32 2HD PRO 32 -0.890 -7.236 -7.374 No H/Q in entry = 7 Start of MODEL 17 1 H SER 33 H SER 33 -3.007 -10.370 -8.392 2 HA SER 33 HA SER 33 -4.040 -12.938 -7.482 3 HB2 SER 33 1HB SER 33 -6.320 -12.617 -8.452 4 HB3 SER 33 2HB SER 33 -6.039 -11.634 -7.012 5 HG SER 33 HG SER 33 -5.545 -9.885 -8.451 No H/Q in entry = 5 Start of MODEL 17 1 H ASP 34 H ASP 34 -3.700 -10.674 -10.249 2 HA ASP 34 HA ASP 34 -4.640 -12.508 -12.161 3 HB2 ASP 34 1HB ASP 34 -3.020 -9.968 -12.541 4 HB3 ASP 34 2HB ASP 34 -4.004 -10.774 -13.769 No H/Q in entry = 4 Start of MODEL 17 1 H ILE 35 H ILE 35 -3.194 -14.341 -11.496 2 HA ILE 35 HA ILE 35 -0.502 -14.314 -12.667 3 HB ILE 35 HB ILE 35 -0.880 -15.089 -10.353 4 HG13 ILE 35 HG12 ILE 35 1.072 -15.689 -11.709 5 HG23 ILE 35 HG21 ILE 35 -1.873 -17.274 -9.910 6 HG21 ILE 35 HG22 ILE 35 -3.069 -16.277 -10.733 7 HG22 ILE 35 HG23 ILE 35 -2.196 -17.533 -11.630 8 HD11 ILE 35 HD11 ILE 35 0.928 -16.470 -9.357 9 HD12 ILE 35 HD12 ILE 35 0.252 -18.013 -9.935 10 HD13 ILE 35 HD13 ILE 35 1.879 -17.520 -10.429 11 HG12 ILE 35 HG11 ILE 35 0.268 -17.159 -12.253 No H/Q in entry = 11 Start of MODEL 17 1 H GLU 36 H GLU 36 0.181 -15.861 -14.198 2 HA GLU 36 HA GLU 36 -1.898 -17.371 -15.727 3 HB2 GLU 36 1HB GLU 36 0.366 -15.682 -16.795 4 HB3 GLU 36 2HB GLU 36 -0.722 -16.679 -17.774 5 HG2 GLU 36 1HG GLU 36 -2.643 -15.280 -17.007 6 HG3 GLU 36 2HG GLU 36 -1.525 -14.247 -16.100 No H/Q in entry = 6 Start of MODEL 17 1 H VAL 37 H VAL 37 -1.202 -19.165 -14.494 2 HA VAL 37 HA VAL 37 1.600 -20.005 -14.655 3 HB VAL 37 HB VAL 37 -0.693 -21.463 -13.351 4 HG12 VAL 37 HG11 VAL 37 2.326 -21.607 -12.967 5 HG13 VAL 37 HG12 VAL 37 1.132 -22.565 -12.079 6 HG11 VAL 37 HG13 VAL 37 1.361 -22.834 -13.811 7 HG22 VAL 37 HG21 VAL 37 -0.555 -19.345 -12.229 8 HG23 VAL 37 HG22 VAL 37 0.387 -20.460 -11.226 9 HG21 VAL 37 HG23 VAL 37 1.229 -19.344 -12.307 No H/Q in entry = 9 Start of MODEL 17 1 H ASP 38 H ASP 38 1.628 -20.172 -16.931 2 HA ASP 38 HA ASP 38 -0.159 -22.125 -18.242 3 HB2 ASP 38 1HB ASP 38 0.077 -19.764 -19.004 4 HB3 ASP 38 2HB ASP 38 1.727 -20.123 -19.517 No H/Q in entry = 4 Start of MODEL 17 1 H LEU 39 H LEU 39 1.178 -23.700 -16.905 2 HA LEU 39 HA LEU 39 3.860 -24.299 -17.426 3 HB2 LEU 39 1HB LEU 39 3.405 -26.366 -16.194 4 HB3 LEU 39 2HB LEU 39 2.656 -24.956 -15.457 5 HG LEU 39 HG LEU 39 0.603 -25.843 -17.125 6 HD13 LEU 39 HD11 LEU 39 0.421 -28.252 -16.891 7 HD12 LEU 39 HD12 LEU 39 1.970 -28.312 -16.014 8 HD11 LEU 39 HD13 LEU 39 1.934 -27.883 -17.732 9 HD21 LEU 39 HD21 LEU 39 1.196 -26.666 -14.244 10 HD23 LEU 39 HD22 LEU 39 -0.384 -26.802 -15.044 11 HD22 LEU 39 HD23 LEU 39 0.334 -25.202 -14.775 No H/Q in entry = 11 Start of MODEL 17 1 H LEU 40 H LEU 40 4.885 -25.942 -18.428 2 HA LEU 40 HA LEU 40 3.583 -27.112 -20.854 3 HB2 LEU 40 1HB LEU 40 6.360 -25.907 -20.778 4 HB3 LEU 40 2HB LEU 40 5.442 -26.411 -22.200 5 HG LEU 40 HG LEU 40 4.838 -23.991 -20.436 6 HD12 LEU 40 HD11 LEU 40 6.008 -24.185 -23.234 7 HD11 LEU 40 HD12 LEU 40 6.918 -23.807 -21.756 8 HD13 LEU 40 HD13 LEU 40 5.666 -22.695 -22.334 9 HD21 LEU 40 HD21 LEU 40 3.560 -24.910 -23.057 10 HD23 LEU 40 HD22 LEU 40 3.283 -23.341 -22.272 11 HD22 LEU 40 HD23 LEU 40 2.755 -24.815 -21.485 No H/Q in entry = 11 Start of MODEL 17 1 H LYS 41 H LYS 41 5.108 -28.672 -21.936 2 HA LYS 41 HA LYS 41 7.249 -29.756 -20.261 3 HB2 LYS 41 1HB LYS 41 6.742 -32.071 -20.801 4 HB3 LYS 41 2HB LYS 41 5.539 -31.307 -19.750 5 HG2 LYS 41 1HG LYS 41 4.009 -31.073 -21.684 6 HG3 LYS 41 2HG LYS 41 5.176 -31.930 -22.707 7 HD2 LYS 41 1HD LYS 41 5.052 -33.927 -21.384 8 HD3 LYS 41 2HD LYS 41 4.071 -33.133 -20.144 9 HE2 LYS 41 1HE LYS 41 2.747 -34.624 -21.599 10 HE3 LYS 41 2HE LYS 41 2.178 -32.959 -21.673 11 HZ3 LYS 41 1HZ LYS 41 3.387 -32.695 -23.722 12 HZ2 LYS 41 2HZ LYS 41 2.304 -33.930 -23.832 13 HZ1 LYS 41 3HZ LYS 41 3.911 -34.257 -23.654 No H/Q in entry = 13 Start of MODEL 17 1 H ASN 42 H ASN 42 8.906 -29.127 -21.436 2 HA ASN 42 HA ASN 42 10.255 -28.628 -23.142 3 HB2 ASN 42 1HB ASN 42 10.268 -31.147 -23.061 4 HB3 ASN 42 2HB ASN 42 9.106 -31.165 -24.390 5 HD21 ASN 42 HD21 ASN 42 10.900 -32.506 -25.361 6 HD22 ASN 42 HD22 ASN 42 12.183 -31.664 -26.202 No H/Q in entry = 6 Start of MODEL 17 1 H GLY 43 H GLY 43 8.173 -27.005 -23.255 2 HA3 GLY 43 1HA GLY 43 7.517 -25.386 -24.786 3 HA2 GLY 43 2HA GLY 43 7.759 -26.482 -26.139 No H/Q in entry = 3 Start of MODEL 17 1 H GLU 44 H GLU 44 6.146 -28.698 -24.758 2 HA GLU 44 HA GLU 44 3.701 -27.892 -26.069 3 HB2 GLU 44 1HB GLU 44 4.358 -30.495 -24.643 4 HB3 GLU 44 2HB GLU 44 3.062 -30.207 -25.807 5 HG2 GLU 44 1HG GLU 44 6.062 -30.140 -26.380 6 HG3 GLU 44 2HG GLU 44 4.915 -31.388 -26.854 No H/Q in entry = 6 Start of MODEL 17 1 H ARG 45 H ARG 45 2.103 -26.820 -25.094 2 HA ARG 45 HA ARG 45 1.662 -26.681 -22.264 3 HB2 ARG 45 1HB ARG 45 0.990 -24.931 -23.848 4 HB3 ARG 45 2HB ARG 45 -0.163 -26.042 -24.609 5 HG2 ARG 45 1HG ARG 45 -1.406 -26.218 -22.455 6 HG3 ARG 45 2HG ARG 45 -0.259 -25.093 -21.700 7 HD2 ARG 45 1HD ARG 45 -1.996 -24.500 -24.131 8 HD3 ARG 45 2HD ARG 45 -2.410 -24.048 -22.469 9 HE ARG 45 HE ARG 45 -0.092 -22.839 -22.553 10 HH12 ARG 45 HH11 ARG 45 -2.164 -21.246 -25.656 11 HH11 ARG 45 HH12 ARG 45 -2.514 -22.887 -25.172 12 HH21 ARG 45 HH21 ARG 45 0.311 -20.720 -23.204 13 HH22 ARG 45 HH22 ARG 45 -0.559 -20.014 -24.550 No H/Q in entry = 13 Start of MODEL 17 1 H ILE 46 H ILE 46 0.546 -27.999 -20.940 2 HA ILE 46 HA ILE 46 -0.432 -30.538 -22.036 3 HB ILE 46 HB ILE 46 -0.216 -29.706 -19.119 4 HG13 ILE 46 HG12 ILE 46 1.973 -29.355 -20.089 5 HG21 ILE 46 HG21 ILE 46 -0.288 -32.406 -20.560 6 HG22 ILE 46 HG22 ILE 46 -0.131 -32.193 -18.811 7 HG23 ILE 46 HG23 ILE 46 -1.612 -31.691 -19.615 8 HD11 ILE 46 HD11 ILE 46 1.863 -30.644 -17.954 9 HD12 ILE 46 HD12 ILE 46 2.111 -32.134 -18.896 10 HD13 ILE 46 HD13 ILE 46 3.341 -30.858 -18.901 11 HG12 ILE 46 HG11 ILE 46 1.878 -30.876 -20.982 No H/Q in entry = 11 Start of MODEL 17 1 H GLU 47 H GLU 47 -2.547 -30.900 -22.420 2 HA GLU 47 HA GLU 47 -4.542 -28.887 -21.586 3 HB2 GLU 47 1HB GLU 47 -4.651 -31.187 -23.557 4 HB3 GLU 47 2HB GLU 47 -5.994 -30.088 -23.193 5 HG2 GLU 47 1HG GLU 47 -4.649 -28.145 -23.890 6 HG3 GLU 47 2HG GLU 47 -3.300 -29.200 -24.325 No H/Q in entry = 6 Start of MODEL 17 1 H LYS 48 H LYS 48 -3.678 -30.130 -19.378 2 HA LYS 48 HA LYS 48 -6.169 -31.018 -18.331 3 HB2 LYS 48 1HB LYS 48 -5.296 -33.233 -19.193 4 HB3 LYS 48 2HB LYS 48 -3.923 -33.069 -18.087 5 HG2 LYS 48 1HG LYS 48 -5.564 -32.947 -16.164 6 HG3 LYS 48 2HG LYS 48 -6.889 -33.043 -17.326 7 HD2 LYS 48 1HD LYS 48 -6.597 -35.177 -16.320 8 HD3 LYS 48 2HD LYS 48 -6.094 -35.309 -18.016 9 HE2 LYS 48 1HE LYS 48 -3.748 -35.317 -17.381 10 HE3 LYS 48 2HE LYS 48 -4.138 -34.855 -15.710 11 HZ3 LYS 48 1HZ LYS 48 -5.255 -36.927 -15.448 12 HZ2 LYS 48 2HZ LYS 48 -3.693 -37.178 -15.897 13 HZ1 LYS 48 3HZ LYS 48 -4.905 -37.372 -16.997 No H/Q in entry = 13 Start of MODEL 17 1 H VAL 49 H VAL 49 -5.384 -28.837 -17.645 2 HA VAL 49 HA VAL 49 -3.369 -28.780 -15.505 3 HB VAL 49 HB VAL 49 -5.287 -26.637 -16.461 4 HG12 VAL 49 HG11 VAL 49 -2.708 -26.463 -14.852 5 HG13 VAL 49 HG12 VAL 49 -3.705 -25.090 -15.378 6 HG11 VAL 49 HG13 VAL 49 -4.343 -26.248 -14.204 7 HG22 VAL 49 HG21 VAL 49 -3.840 -27.278 -18.344 8 HG23 VAL 49 HG22 VAL 49 -3.308 -25.723 -17.698 9 HG21 VAL 49 HG23 VAL 49 -2.403 -27.199 -17.299 No H/Q in entry = 9 Start of MODEL 17 1 H GLU 50 H GLU 50 -3.927 -29.405 -13.515 2 HA GLU 50 HA GLU 50 -6.768 -29.232 -12.564 3 HB2 GLU 50 1HB GLU 50 -4.553 -31.110 -11.676 4 HB3 GLU 50 2HB GLU 50 -6.205 -31.049 -11.044 5 HG2 GLU 50 1HG GLU 50 -7.099 -31.758 -13.214 6 HG3 GLU 50 2HG GLU 50 -5.477 -31.733 -13.926 No H/Q in entry = 6 Start of MODEL 17 1 H HIS 51 H HIS 51 -7.057 -28.156 -10.584 2 HA HIS 51 HA HIS 51 -4.756 -27.175 -9.083 3 HB2 HIS 51 1HB HIS 51 -5.344 -24.768 -9.610 4 HB3 HIS 51 2HB HIS 51 -4.604 -25.658 -10.937 5 HD1 HIS 51 HD1 HIS 51 -5.986 -26.067 -13.062 6 HD2 HIS 51 HD2 HIS 51 -8.132 -24.159 -10.016 7 HE1 HIS 51 HE1 HIS 51 -8.163 -25.243 -14.077 No H/Q in entry = 7 Start of MODEL 17 1 H SER 52 H SER 52 -5.369 -25.718 -7.336 2 HA SER 52 HA SER 52 -7.688 -26.841 -5.968 3 HB2 SER 52 1HB SER 52 -5.490 -24.939 -5.077 4 HB3 SER 52 2HB SER 52 -6.742 -25.644 -4.027 5 HG SER 52 HG SER 52 -4.978 -27.190 -5.595 No H/Q in entry = 5 Start of MODEL 17 1 H ASP 53 H ASP 53 -7.134 -23.992 -7.832 2 HA ASP 53 HA ASP 53 -8.390 -22.253 -8.376 3 HB2 ASP 53 1HB ASP 53 -10.125 -23.993 -8.651 4 HB3 ASP 53 2HB ASP 53 -10.694 -23.697 -7.006 No H/Q in entry = 4 Start of MODEL 17 1 H LEU 54 H LEU 54 -7.173 -20.878 -7.161 2 HA LEU 54 HA LEU 54 -6.543 -19.469 -5.512 3 HB2 LEU 54 1HB LEU 54 -8.182 -18.343 -7.088 4 HB3 LEU 54 2HB LEU 54 -9.422 -18.578 -5.858 5 HG LEU 54 HG LEU 54 -7.678 -17.370 -4.262 6 HD12 LEU 54 HD11 LEU 54 -6.263 -15.722 -5.457 7 HD11 LEU 54 HD12 LEU 54 -6.747 -16.415 -7.013 8 HD13 LEU 54 HD13 LEU 54 -5.787 -17.376 -5.874 9 HD21 LEU 54 HD21 LEU 54 -9.869 -16.421 -4.947 10 HD23 LEU 54 HD22 LEU 54 -9.142 -15.833 -6.457 11 HD22 LEU 54 HD23 LEU 54 -8.610 -15.174 -4.895 No H/Q in entry = 11 Start of MODEL 17 1 H SER 55 H SER 55 -6.252 -21.035 -3.800 2 HA SER 55 HA SER 55 -8.443 -21.315 -1.843 3 HB2 SER 55 1HB SER 55 -5.719 -22.631 -1.951 4 HB3 SER 55 2HB SER 55 -7.021 -22.972 -0.791 5 HG SER 55 HG SER 55 -7.140 -24.411 -2.489 No H/Q in entry = 5 Start of MODEL 17 1 H PHE 56 H PHE 56 -8.470 -20.493 0.141 2 HA PHE 56 HA PHE 56 -6.657 -18.250 0.733 3 HB2 PHE 56 1HB PHE 56 -9.234 -19.013 2.133 4 HB3 PHE 56 2HB PHE 56 -8.440 -17.443 2.074 5 HD1 PHE 56 HD1 PHE 56 -10.905 -19.614 0.581 6 HD2 PHE 56 HD2 PHE 56 -8.247 -16.342 -0.308 7 HE1 PHE 56 HE1 PHE 56 -12.138 -19.187 -1.523 8 HE2 PHE 56 HE2 PHE 56 -9.493 -15.920 -2.426 9 HZ PHE 56 HZ PHE 56 -11.435 -17.341 -3.028 No H/Q in entry = 9 Start of MODEL 17 1 H SER 57 H SER 57 -4.930 -18.719 2.088 2 HA SER 57 HA SER 57 -4.931 -20.969 3.911 3 HB2 SER 57 1HB SER 57 -2.832 -19.955 4.756 4 HB3 SER 57 2HB SER 57 -2.845 -20.202 3.002 5 HG SER 57 HG SER 57 -3.287 -17.769 4.384 No H/Q in entry = 5 Start of MODEL 17 1 H LYS 58 H LYS 58 -5.225 -17.413 4.333 2 HA LYS 58 HA LYS 58 -7.244 -17.775 6.344 3 HB2 LYS 58 1HB LYS 58 -6.148 -16.628 8.195 4 HB3 LYS 58 2HB LYS 58 -5.367 -18.161 7.811 5 HG2 LYS 58 1HG LYS 58 -3.588 -16.866 6.544 6 HG3 LYS 58 2HG LYS 58 -4.326 -15.372 7.170 7 HD2 LYS 58 1HD LYS 58 -4.003 -16.151 9.479 8 HD3 LYS 58 2HD LYS 58 -3.224 -17.631 8.873 9 HE2 LYS 58 1HE LYS 58 -1.489 -16.232 7.748 10 HE3 LYS 58 2HE LYS 58 -2.264 -14.769 8.391 11 HZ2 LYS 58 1HZ LYS 58 -0.426 -15.459 9.723 12 HZ1 LYS 58 2HZ LYS 58 -1.106 -16.937 9.993 13 HZ3 LYS 58 3HZ LYS 58 -1.825 -15.577 10.587 No H/Q in entry = 13 Start of MODEL 17 1 H ASP 59 H ASP 59 -4.849 -15.387 5.099 2 HA ASP 59 HA ASP 59 -7.017 -13.500 4.395 3 HB2 ASP 59 1HB ASP 59 -4.800 -12.869 6.403 4 HB3 ASP 59 2HB ASP 59 -5.929 -11.702 5.703 No H/Q in entry = 4 Start of MODEL 17 1 H GLY 60 H GLY 60 -6.478 -13.201 2.295 2 HA3 GLY 60 1HA GLY 60 -5.450 -11.974 0.681 3 HA2 GLY 60 2HA GLY 60 -4.151 -11.574 1.807 No H/Q in entry = 3 Start of MODEL 17 1 H SER 61 H SER 61 -2.993 -14.008 2.382 2 HA SER 61 HA SER 61 -1.375 -14.407 0.069 3 HB2 SER 61 1HB SER 61 -0.312 -16.182 1.524 4 HB3 SER 61 2HB SER 61 -0.349 -14.533 2.176 5 HG SER 61 HG SER 61 -2.155 -15.123 3.419 No H/Q in entry = 5 Start of MODEL 17 1 H PHE 62 H PHE 62 -2.388 -15.221 -1.684 2 HA PHE 62 HA PHE 62 -4.258 -17.449 -1.540 3 HB2 PHE 62 1HB PHE 62 -3.102 -15.976 -3.937 4 HB3 PHE 62 2HB PHE 62 -4.498 -17.048 -3.924 5 HD1 PHE 62 HD1 PHE 62 -3.520 -13.653 -3.924 6 HD2 PHE 62 HD2 PHE 62 -6.411 -16.331 -2.161 7 HE1 PHE 62 HE1 PHE 62 -4.964 -11.725 -3.316 8 HE2 PHE 62 HE2 PHE 62 -7.870 -14.386 -1.635 9 HZ PHE 62 HZ PHE 62 -7.151 -12.096 -2.229 No H/Q in entry = 9 Start of MODEL 17 1 H TYR 63 H TYR 63 -3.410 -19.499 -1.317 2 HA TYR 63 HA TYR 63 -0.939 -20.229 -2.768 3 HB2 TYR 63 1HB TYR 63 -0.781 -22.097 -1.491 4 HB3 TYR 63 2HB TYR 63 -1.106 -20.737 -0.437 5 HD1 TYR 63 HD1 TYR 63 -3.400 -20.560 0.677 6 HD2 TYR 63 HD2 TYR 63 -2.255 -23.997 -1.652 7 HE1 TYR 63 HE1 TYR 63 -5.178 -21.916 1.768 8 HE2 TYR 63 HE2 TYR 63 -4.015 -25.342 -0.544 9 HH TYR 63 HH TYR 63 -6.206 -23.943 1.925 No H/Q in entry = 9 Start of MODEL 17 1 H LEU 64 H LEU 64 -1.411 -20.572 -4.896 2 HA LEU 64 HA LEU 64 -3.679 -22.368 -5.559 3 HB2 LEU 64 1HB LEU 64 -3.128 -19.967 -6.503 4 HB3 LEU 64 2HB LEU 64 -2.325 -20.935 -7.742 5 HG LEU 64 HG LEU 64 -5.196 -21.206 -6.723 6 HD11 LEU 64 HD11 LEU 64 -4.100 -20.005 -9.286 7 HD13 LEU 64 HD12 LEU 64 -4.975 -19.169 -7.990 8 HD12 LEU 64 HD13 LEU 64 -5.819 -20.354 -8.996 9 HD23 LEU 64 HD21 LEU 64 -5.590 -22.678 -8.662 10 HD22 LEU 64 HD22 LEU 64 -4.472 -23.388 -7.496 11 HD21 LEU 64 HD23 LEU 64 -3.850 -22.691 -9.005 No H/Q in entry = 11 Start of MODEL 17 1 H LEU 65 H LEU 65 -3.106 -24.472 -5.737 2 HA LEU 65 HA LEU 65 -0.456 -25.366 -6.601 3 HB2 LEU 65 1HB LEU 65 -1.737 -26.489 -4.782 4 HB3 LEU 65 2HB LEU 65 -3.027 -26.824 -5.939 5 HG LEU 65 HG LEU 65 -1.415 -28.225 -7.269 6 HD12 LEU 65 HD11 LEU 65 0.613 -29.033 -6.126 7 HD11 LEU 65 HD12 LEU 65 0.392 -27.838 -4.849 8 HD13 LEU 65 HD13 LEU 65 0.744 -27.313 -6.515 9 HD21 LEU 65 HD21 LEU 65 -3.024 -29.191 -5.651 10 HD23 LEU 65 HD22 LEU 65 -1.813 -29.032 -4.359 11 HD22 LEU 65 HD23 LEU 65 -1.523 -30.130 -5.727 No H/Q in entry = 11 Start of MODEL 17 1 H TYR 66 H TYR 66 -0.022 -26.327 -8.601 2 HA TYR 66 HA TYR 66 -2.237 -26.614 -10.572 3 HB2 TYR 66 1HB TYR 66 0.383 -25.159 -10.988 4 HB3 TYR 66 2HB TYR 66 -0.575 -25.825 -12.306 5 HD1 TYR 66 HD1 TYR 66 -2.824 -24.963 -12.821 6 HD2 TYR 66 HD2 TYR 66 -0.367 -23.129 -9.799 7 HE1 TYR 66 HE1 TYR 66 -4.121 -22.865 -13.051 8 HE2 TYR 66 HE2 TYR 66 -1.655 -21.022 -10.039 9 HH TYR 66 HH TYR 66 -4.306 -20.659 -12.423 No H/Q in entry = 9 Start of MODEL 17 1 H TYR 67 H TYR 67 -2.265 -28.781 -10.145 2 HA TYR 67 HA TYR 67 0.231 -30.315 -10.360 3 HB2 TYR 67 1HB TYR 67 -0.817 -32.010 -9.158 4 HB3 TYR 67 2HB TYR 67 -0.904 -30.480 -8.305 5 HD1 TYR 67 HD1 TYR 67 -2.714 -33.374 -9.297 6 HD2 TYR 67 HD2 TYR 67 -3.202 -29.191 -8.366 7 HE1 TYR 67 HE1 TYR 67 -5.126 -33.738 -8.917 8 HE2 TYR 67 HE2 TYR 67 -5.607 -29.570 -7.950 9 HH TYR 67 HH TYR 67 -7.148 -32.771 -8.391 No H/Q in entry = 9 Start of MODEL 17 1 H THR 68 H THR 68 0.297 -30.258 -12.718 2 HA THR 68 HA THR 68 -1.743 -31.614 -14.294 3 HB THR 68 HB THR 68 -0.069 -29.825 -15.062 4 HG1 THR 68 HG1 THR 68 -0.058 -30.727 -17.099 5 HG21 THR 68 HG21 THR 68 1.963 -31.086 -14.115 6 HG23 THR 68 HG22 THR 68 2.135 -30.521 -15.773 7 HG22 THR 68 HG23 THR 68 1.785 -32.221 -15.471 No H/Q in entry = 7 Start of MODEL 17 1 H GLU 69 H GLU 69 -1.119 -33.622 -15.597 2 HA GLU 69 HA GLU 69 0.636 -35.503 -14.063 3 HB2 GLU 69 1HB GLU 69 -1.743 -36.182 -14.117 4 HB3 GLU 69 2HB GLU 69 -1.678 -36.232 -15.882 5 HG2 GLU 69 1HG GLU 69 0.090 -37.957 -15.798 6 HG3 GLU 69 2HG GLU 69 0.184 -37.810 -14.036 No H/Q in entry = 6 Start of MODEL 17 1 H PHE 70 H PHE 70 2.545 -34.833 -15.078 2 HA PHE 70 HA PHE 70 2.753 -35.051 -18.012 3 HB2 PHE 70 1HB PHE 70 4.978 -34.328 -17.752 4 HB3 PHE 70 2HB PHE 70 3.916 -33.244 -16.867 5 HD1 PHE 70 HD1 PHE 70 6.675 -35.690 -16.598 6 HD2 PHE 70 HD2 PHE 70 3.938 -33.208 -14.378 7 HE1 PHE 70 HE1 PHE 70 8.138 -35.845 -14.592 8 HE2 PHE 70 HE2 PHE 70 5.383 -33.450 -12.361 9 HZ PHE 70 HZ PHE 70 7.449 -34.782 -12.467 No H/Q in entry = 9 Start of MODEL 17 1 H THR 71 H THR 71 3.949 -36.673 -19.063 2 HA THR 71 HA THR 71 4.542 -39.117 -17.519 3 HB THR 71 HB THR 71 4.469 -38.692 -20.498 4 HG1 THR 71 HG1 THR 71 2.449 -39.706 -20.238 5 HG21 THR 71 HG21 THR 71 4.497 -41.194 -18.730 6 HG23 THR 71 HG22 THR 71 5.838 -40.650 -19.760 7 HG22 THR 71 HG23 THR 71 4.312 -41.173 -20.494 No H/Q in entry = 7 Start of MODEL 17 1 HA PRO 72 HA PRO 72 8.882 -37.546 -18.016 2 HB2 PRO 72 1HB PRO 72 10.088 -38.892 -16.007 3 HB3 PRO 72 2HB PRO 72 9.010 -37.509 -15.726 4 HG2 PRO 72 1HG PRO 72 8.295 -40.442 -15.597 5 HG3 PRO 72 2HG PRO 72 7.955 -39.183 -14.376 6 HD2 PRO 72 1HD PRO 72 6.130 -39.980 -16.290 7 HD3 PRO 72 2HD PRO 72 6.193 -38.298 -15.682 No H/Q in entry = 7 Start of MODEL 17 1 H THR 73 H THR 73 8.473 -38.733 -20.093 2 HA THR 73 HA THR 73 9.431 -41.390 -20.523 3 HB THR 73 HB THR 73 9.451 -38.949 -22.353 4 HG1 THR 73 HG1 THR 73 7.521 -40.992 -21.971 5 HG21 THR 73 HG21 THR 73 9.543 -41.941 -22.965 6 HG23 THR 73 HG22 THR 73 10.829 -40.754 -23.296 7 HG22 THR 73 HG23 THR 73 9.293 -40.658 -24.168 No H/Q in entry = 7 Start of MODEL 17 1 H GLU 74 H GLU 74 10.965 -38.273 -20.010 2 HA GLU 74 HA GLU 74 12.989 -37.767 -19.254 3 HB2 GLU 74 1HB GLU 74 13.321 -40.170 -18.610 4 HB3 GLU 74 2HB GLU 74 14.155 -40.437 -20.150 5 HG2 GLU 74 1HG GLU 74 15.005 -38.353 -18.093 6 HG3 GLU 74 2HG GLU 74 15.574 -40.024 -18.088 No H/Q in entry = 6 Start of MODEL 17 1 H LYS 75 H LYS 75 14.786 -36.765 -20.238 2 HA LYS 75 HA LYS 75 15.977 -35.786 -21.879 3 HB2 LYS 75 1HB LYS 75 15.652 -37.770 -23.380 4 HB3 LYS 75 2HB LYS 75 14.214 -36.965 -24.057 5 HG2 LYS 75 1HG LYS 75 15.601 -35.005 -24.664 6 HG3 LYS 75 2HG LYS 75 17.041 -35.839 -24.061 7 HD2 LYS 75 1HD LYS 75 15.234 -36.802 -26.329 8 HD3 LYS 75 2HD LYS 75 16.791 -35.980 -26.521 9 HE2 LYS 75 1HE LYS 75 17.890 -37.863 -25.250 10 HE3 LYS 75 2HE LYS 75 16.336 -38.725 -25.266 11 HZ1 LYS 75 1HZ LYS 75 16.387 -38.672 -27.635 12 HZ3 LYS 75 2HZ LYS 75 17.723 -39.425 -27.029 13 HZ2 LYS 75 3HZ LYS 75 17.842 -37.893 -27.629 No H/Q in entry = 13 Start of MODEL 17 1 H ASP 76 H ASP 76 12.451 -35.987 -22.539 2 HA ASP 76 HA ASP 76 12.118 -33.196 -23.164 3 HB2 ASP 76 1HB ASP 76 10.141 -35.298 -22.189 4 HB3 ASP 76 2HB ASP 76 9.710 -33.707 -22.832 No H/Q in entry = 4 Start of MODEL 17 1 H GLU 77 H GLU 77 12.007 -31.495 -21.770 2 HA GLU 77 HA GLU 77 12.323 -32.032 -18.892 3 HB2 GLU 77 1HB GLU 77 13.199 -29.845 -18.725 4 HB3 GLU 77 2HB GLU 77 13.907 -30.624 -20.135 5 HG2 GLU 77 1HG GLU 77 13.497 -28.478 -20.897 6 HG3 GLU 77 2HG GLU 77 12.117 -29.364 -21.542 No H/Q in entry = 6 Start of MODEL 17 1 H TYR 78 H TYR 78 10.894 -31.430 -17.332 2 HA TYR 78 HA TYR 78 8.250 -30.363 -18.138 3 HB2 TYR 78 1HB TYR 78 9.118 -31.628 -15.542 4 HB3 TYR 78 2HB TYR 78 7.477 -31.278 -16.070 5 HD1 TYR 78 HD1 TYR 78 10.312 -33.582 -16.374 6 HD2 TYR 78 HD2 TYR 78 6.546 -32.456 -18.102 7 HE1 TYR 78 HE1 TYR 78 10.475 -35.484 -17.941 8 HE2 TYR 78 HE2 TYR 78 6.765 -34.294 -19.765 9 HH TYR 78 HH TYR 78 8.110 -35.959 -20.592 No H/Q in entry = 9 Start of MODEL 17 1 H ALA 79 H ALA 79 7.550 -28.315 -17.428 2 HA ALA 79 HA ALA 79 9.015 -26.915 -15.305 3 HB3 ALA 79 1HB ALA 79 9.180 -26.089 -18.232 4 HB2 ALA 79 2HB ALA 79 9.518 -24.984 -16.886 5 HB1 ALA 79 3HB ALA 79 10.513 -26.432 -17.102 No H/Q in entry = 5 Start of MODEL 17 1 H CYS 80 H CYS 80 7.764 -25.622 -14.212 2 HA CYS 80 HA CYS 80 5.054 -24.932 -15.115 3 HB2 CYS 80 1HB CYS 80 5.571 -25.711 -12.790 4 HB3 CYS 80 2HB CYS 80 6.520 -24.242 -12.542 No H/Q in entry = 4 Start of MODEL 17 1 H ARG 81 H ARG 81 4.657 -22.983 -16.157 2 HA ARG 81 HA ARG 81 6.784 -20.963 -16.330 3 HB2 ARG 81 1HB ARG 81 5.696 -21.684 -18.365 4 HB3 ARG 81 2HB ARG 81 4.110 -21.213 -17.720 5 HG2 ARG 81 1HG ARG 81 4.526 -18.946 -17.905 6 HG3 ARG 81 2HG ARG 81 6.276 -19.131 -17.693 7 HD2 ARG 81 1HD ARG 81 5.763 -18.425 -19.964 8 HD3 ARG 81 2HD ARG 81 6.554 -20.009 -19.922 9 HE ARG 81 HE ARG 81 3.746 -20.424 -19.965 10 HH12 ARG 81 HH11 ARG 81 5.589 -19.760 -23.531 11 HH11 ARG 81 HH12 ARG 81 6.403 -19.308 -22.052 12 HH21 ARG 81 HH21 ARG 81 2.693 -20.983 -21.939 13 HH22 ARG 81 HH22 ARG 81 3.494 -20.704 -23.468 No H/Q in entry = 13 Start of MODEL 17 1 H VAL 82 H VAL 82 6.553 -19.008 -15.188 2 HA VAL 82 HA VAL 82 4.079 -18.630 -13.550 3 HB VAL 82 HB VAL 82 6.929 -18.357 -12.524 4 HG13 VAL 82 HG11 VAL 82 5.774 -18.215 -10.360 5 HG11 VAL 82 HG12 VAL 82 5.145 -16.956 -11.447 6 HG12 VAL 82 HG13 VAL 82 4.202 -18.438 -11.160 7 HG23 VAL 82 HG21 VAL 82 6.396 -20.400 -11.182 8 HG21 VAL 82 HG22 VAL 82 4.921 -20.624 -12.137 9 HG22 VAL 82 HG23 VAL 82 6.519 -20.749 -12.904 No H/Q in entry = 9 Start of MODEL 17 1 H ASN 83 H ASN 83 3.346 -17.091 -14.955 2 HA ASN 83 HA ASN 83 4.941 -14.580 -15.271 3 HB2 ASN 83 1HB ASN 83 2.581 -15.670 -16.846 4 HB3 ASN 83 2HB ASN 83 3.422 -14.144 -17.157 5 HD21 ASN 83 HD21 ASN 83 3.281 -15.613 -19.301 6 HD22 ASN 83 HD22 ASN 83 4.755 -16.492 -19.644 No H/Q in entry = 6 Start of MODEL 17 1 H HIS 84 H HIS 84 4.134 -12.753 -14.318 2 HA HIS 84 HA HIS 84 1.393 -12.576 -13.309 3 HB2 HIS 84 1HB HIS 84 2.560 -13.973 -11.607 4 HB3 HIS 84 2HB HIS 84 3.801 -12.739 -11.447 5 HD2 HIS 84 HD2 HIS 84 -0.159 -12.792 -10.933 6 HE1 HIS 84 HE1 HIS 84 1.698 -10.643 -7.814 7 HE2 HIS 84 HE2 HIS 84 -0.553 -11.466 -8.719 No H/Q in entry = 7 Start of MODEL 17 1 H VAL 85 H VAL 85 0.999 -10.458 -12.351 2 HA VAL 85 HA VAL 85 1.867 -8.393 -14.001 3 HB VAL 85 HB VAL 85 0.509 -8.292 -11.290 4 HG13 VAL 85 HG11 VAL 85 1.449 -6.075 -11.718 5 HG11 VAL 85 HG12 VAL 85 0.834 -6.106 -13.388 6 HG12 VAL 85 HG13 VAL 85 -0.290 -6.042 -12.014 7 HG21 VAL 85 HG21 VAL 85 -0.568 -8.168 -14.137 8 HG22 VAL 85 HG22 VAL 85 -0.741 -9.534 -13.015 9 HG23 VAL 85 HG23 VAL 85 -1.526 -7.991 -12.651 No H/Q in entry = 9 Start of MODEL 17 1 H THR 86 H THR 86 3.225 -9.384 -10.842 2 HA THR 86 HA THR 86 4.827 -7.017 -10.484 3 HB THR 86 HB THR 86 5.925 -8.339 -8.736 4 HG1 THR 86 HG1 THR 86 4.269 -10.468 -9.621 5 HG23 THR 86 HG21 THR 86 3.967 -8.718 -7.317 6 HG22 THR 86 HG22 THR 86 2.894 -8.716 -8.729 7 HG21 THR 86 HG23 THR 86 3.748 -7.237 -8.281 No H/Q in entry = 7 Start of MODEL 17 1 H LEU 87 H LEU 87 5.208 -9.996 -12.315 2 HA LEU 87 HA LEU 87 8.131 -9.725 -12.543 3 HB2 LEU 87 1HB LEU 87 6.297 -11.797 -13.764 4 HB3 LEU 87 2HB LEU 87 8.032 -11.893 -13.541 5 HG LEU 87 HG LEU 87 5.938 -11.851 -11.305 6 HD12 LEU 87 HD11 LEU 87 7.714 -14.087 -12.335 7 HD11 LEU 87 HD12 LEU 87 5.961 -13.935 -12.591 8 HD13 LEU 87 HD13 LEU 87 6.607 -14.181 -10.961 9 HD23 LEU 87 HD21 LEU 87 7.826 -12.395 -9.798 10 HD22 LEU 87 HD22 LEU 87 8.015 -10.791 -10.510 11 HD21 LEU 87 HD23 LEU 87 8.966 -12.156 -11.139 No H/Q in entry = 11 Start of MODEL 17 1 H SER 88 H SER 88 8.958 -8.484 -14.141 2 HA SER 88 HA SER 88 7.500 -7.614 -16.457 3 HB2 SER 88 1HB SER 88 9.768 -6.864 -17.219 4 HB3 SER 88 2HB SER 88 9.300 -6.274 -15.613 5 HG SER 88 HG SER 88 11.447 -7.091 -15.698 No H/Q in entry = 5 Start of MODEL 17 1 H GLN 89 H GLN 89 10.060 -10.077 -15.946 2 HA GLN 89 HA GLN 89 9.691 -11.093 -18.693 3 HB2 GLN 89 1HB GLN 89 11.797 -11.732 -16.607 4 HB3 GLN 89 2HB GLN 89 11.785 -12.286 -18.279 5 HG2 GLN 89 1HG GLN 89 12.057 -9.415 -17.300 6 HG3 GLN 89 2HG GLN 89 13.302 -10.410 -18.051 7 HE21 GLN 89 HE21 GLN 89 12.783 -11.221 -20.343 8 HE22 GLN 89 HE22 GLN 89 11.964 -10.093 -21.404 No H/Q in entry = 8 Start of MODEL 17 1 HA PRO 90 HA PRO 90 7.492 -14.640 -17.098 2 HB2 PRO 90 1HB PRO 90 7.704 -16.443 -19.122 3 HB3 PRO 90 2HB PRO 90 6.857 -14.884 -19.330 4 HG2 PRO 90 1HG PRO 90 9.714 -15.521 -20.111 5 HG3 PRO 90 2HG PRO 90 8.442 -14.776 -21.117 6 HD2 PRO 90 1HD PRO 90 10.283 -13.275 -19.766 7 HD3 PRO 90 2HD PRO 90 8.592 -12.728 -19.960 No H/Q in entry = 7 Start of MODEL 17 1 H LYS 91 H LYS 91 8.101 -16.064 -15.508 2 HA LYS 91 HA LYS 91 10.876 -17.110 -15.459 3 HB2 LYS 91 1HB LYS 91 8.694 -16.781 -13.411 4 HB3 LYS 91 2HB LYS 91 10.031 -17.904 -13.154 5 HG2 LYS 91 1HG LYS 91 10.481 -15.757 -12.128 6 HG3 LYS 91 2HG LYS 91 11.686 -16.169 -13.358 7 HD2 LYS 91 1HD LYS 91 10.734 -14.593 -14.932 8 HD3 LYS 91 2HD LYS 91 9.331 -14.311 -13.878 9 HE2 LYS 91 1HE LYS 91 10.880 -13.374 -12.143 10 HE3 LYS 91 2HE LYS 91 12.240 -13.638 -13.253 11 HZ1 LYS 91 1HZ LYS 91 11.090 -12.171 -14.804 12 HZ3 LYS 91 2HZ LYS 91 11.530 -11.416 -13.403 13 HZ2 LYS 91 3HZ LYS 91 9.960 -11.842 -13.660 No H/Q in entry = 13 Start of MODEL 17 1 H ILE 92 H ILE 92 10.961 -18.826 -16.862 2 HA ILE 92 HA ILE 92 9.057 -21.074 -16.674 3 HB ILE 92 HB ILE 92 11.573 -20.572 -18.307 4 HG13 ILE 92 HG12 ILE 92 8.654 -20.943 -19.142 5 HG21 ILE 92 HG21 ILE 92 9.753 -23.018 -18.264 6 HG22 ILE 92 HG22 ILE 92 11.026 -22.709 -19.458 7 HG23 ILE 92 HG23 ILE 92 11.460 -22.984 -17.773 8 HD11 ILE 92 HD11 ILE 92 10.414 -18.453 -19.193 9 HD12 ILE 92 HD12 ILE 92 8.949 -18.652 -20.174 10 HD13 ILE 92 HD13 ILE 92 8.816 -18.640 -18.417 11 HG12 ILE 92 HG11 ILE 92 10.034 -20.740 -20.226 No H/Q in entry = 11 Start of MODEL 17 1 H VAL 93 H VAL 93 9.226 -22.159 -14.774 2 HA VAL 93 HA VAL 93 11.750 -22.192 -13.287 3 HB VAL 93 HB VAL 93 8.992 -23.241 -12.514 4 HG12 VAL 93 HG11 VAL 93 9.997 -23.087 -10.198 5 HG13 VAL 93 HG12 VAL 93 10.728 -24.344 -11.202 6 HG11 VAL 93 HG13 VAL 93 11.575 -22.803 -10.949 7 HG23 VAL 93 HG21 VAL 93 10.365 -20.643 -11.740 8 HG21 VAL 93 HG22 VAL 93 9.000 -20.783 -12.874 9 HG22 VAL 93 HG23 VAL 93 8.782 -21.260 -11.190 No H/Q in entry = 9 Start of MODEL 17 1 H LYS 94 H LYS 94 12.970 -23.952 -12.946 2 HA LYS 94 HA LYS 94 12.534 -26.295 -14.686 3 HB2 LYS 94 1HB LYS 94 14.891 -25.408 -12.976 4 HB3 LYS 94 2HB LYS 94 14.840 -26.810 -14.072 5 HG2 LYS 94 1HG LYS 94 14.499 -25.349 -15.998 6 HG3 LYS 94 2HG LYS 94 14.357 -23.928 -14.962 7 HD2 LYS 94 1HD LYS 94 16.532 -24.029 -16.043 8 HD3 LYS 94 2HD LYS 94 16.681 -24.051 -14.285 9 HE2 LYS 94 1HE LYS 94 16.717 -26.641 -15.884 10 HE3 LYS 94 2HE LYS 94 18.165 -25.632 -15.748 11 HZ3 LYS 94 1HZ LYS 94 18.142 -27.291 -14.081 12 HZ2 LYS 94 2HZ LYS 94 16.715 -26.751 -13.465 13 HZ1 LYS 94 3HZ LYS 94 18.052 -25.796 -13.396 No H/Q in entry = 13 Start of MODEL 17 1 H TRP 95 H TRP 95 11.020 -27.598 -13.691 2 HA TRP 95 HA TRP 95 10.614 -28.291 -11.057 3 HB2 TRP 95 1HB TRP 95 9.203 -29.205 -12.812 4 HB3 TRP 95 2HB TRP 95 10.591 -29.940 -13.593 5 HD1 TRP 95 HD1 TRP 95 9.130 -30.343 -10.015 6 HE1 TRP 95 HE1 TRP 95 9.125 -32.855 -9.439 7 HE3 TRP 95 HE3 TRP 95 11.082 -32.166 -14.345 8 HZ2 TRP 95 HZ2 TRP 95 9.743 -35.343 -10.758 9 HZ3 TRP 95 HZ3 TRP 95 11.392 -34.628 -14.654 10 HH2 TRP 95 HH2 TRP 95 10.622 -36.207 -12.911 No H/Q in entry = 10 Start of MODEL 17 1 H ASP 96 H ASP 96 11.978 -29.010 -9.542 2 HA ASP 96 HA ASP 96 14.520 -30.304 -10.175 3 HB2 ASP 96 1HB ASP 96 14.283 -28.659 -8.339 4 HB3 ASP 96 2HB ASP 96 13.170 -29.754 -7.503 No H/Q in entry = 4 Start of MODEL 17 1 H ARG 97 H ARG 97 14.674 -32.434 -10.520 2 HA ARG 97 HA ARG 97 12.313 -34.139 -10.131 3 HB2 ARG 97 1HB ARG 97 13.431 -35.627 -11.706 4 HB3 ARG 97 2HB ARG 97 13.288 -33.995 -12.349 5 HG2 ARG 97 1HG ARG 97 15.851 -34.523 -10.914 6 HG3 ARG 97 2HG ARG 97 15.592 -35.496 -12.366 7 HD2 ARG 97 1HD ARG 97 15.359 -33.575 -13.755 8 HD3 ARG 97 2HD ARG 97 15.239 -32.476 -12.370 9 HE ARG 97 HE ARG 97 17.693 -33.876 -12.186 10 HH12 ARG 97 HH11 ARG 97 17.626 -30.554 -14.530 11 HH11 ARG 97 HH12 ARG 97 16.132 -31.391 -14.182 12 HH21 ARG 97 HH21 ARG 97 19.634 -32.758 -12.622 13 HH22 ARG 97 HH22 ARG 97 19.628 -31.332 -13.637 No H/Q in entry = 13 Start of MODEL 17 1 H ASP 98 H ASP 98 13.411 -33.603 -7.699 2 HA ASP 98 HA ASP 98 14.728 -36.170 -6.887 3 HB2 ASP 98 1HB ASP 98 15.238 -33.347 -5.867 4 HB3 ASP 98 2HB ASP 98 15.859 -34.827 -5.133 No H/Q in entry = 4 Start of MODEL 17 1 H MET 99 H MET 99 12.966 -33.296 -5.642 2 HA MET 99 HA MET 99 11.418 -35.000 -3.768 3 HB2 MET 99 1HB MET 99 11.502 -31.976 -4.138 4 HB3 MET 99 2HB MET 99 10.627 -32.852 -2.878 5 HG2 MET 99 1HG MET 99 13.640 -32.676 -3.275 6 HG3 MET 99 2HG MET 99 12.691 -31.969 -1.974 7 HE1 MET 99 1HE MET 99 11.411 -33.423 -0.130 8 HE2 MET 99 2HE MET 99 10.730 -34.597 -1.288 9 HE3 MET 99 3HE MET 99 11.666 -35.172 0.106 No H/Q in entry = 9 Start of MODEL 18 1 H1 MET 0 2H MET 0 -1.778 -2.898 -3.127 2 H2 MET 0 3H MET 0 -1.943 -2.839 -1.488 3 H3 MET 0 1H MET 0 -2.361 -1.536 -2.406 4 HA MET 0 HA MET 0 -0.152 -1.211 -3.115 5 HB2 MET 0 1HB MET 0 0.800 -0.358 -1.056 6 HB3 MET 0 2HB MET 0 -0.922 0.021 -1.187 7 HG2 MET 0 1HG MET 0 -1.444 -1.825 0.403 8 HG3 MET 0 2HG MET 0 0.276 -2.214 0.506 9 HE1 MET 0 1HE MET 0 -2.556 0.246 1.447 10 HE2 MET 0 2HE MET 0 -1.704 1.522 2.343 11 HE3 MET 0 3HE MET 0 -1.521 1.408 0.583 No H/Q in entry = 11 Start of MODEL 18 1 H ILE 1 H ILE 1 -0.515 -4.063 -1.031 2 HA ILE 1 HA ILE 1 2.287 -4.738 -1.086 3 HB ILE 1 HB ILE 1 0.886 -5.304 0.773 4 HG13 ILE 1 HG12 ILE 1 2.933 -6.600 0.192 5 HG22 ILE 1 HG21 ILE 1 -0.503 -7.516 -0.763 6 HG23 ILE 1 HG22 ILE 1 -0.874 -6.839 0.827 7 HG21 ILE 1 HG23 ILE 1 -1.229 -5.903 -0.622 8 HD11 ILE 1 HD11 ILE 1 1.753 -7.080 2.326 9 HD12 ILE 1 HD12 ILE 1 0.801 -8.340 1.503 10 HD13 ILE 1 HD13 ILE 1 2.558 -8.506 1.643 11 HG12 ILE 1 HG11 ILE 1 1.922 -7.794 -0.635 No H/Q in entry = 11 Start of MODEL 18 1 H GLN 2 H GLN 2 3.042 -4.879 -3.120 2 HA GLN 2 HA GLN 2 1.635 -6.413 -5.201 3 HB2 GLN 2 1HB GLN 2 2.528 -4.111 -5.560 4 HB3 GLN 2 2HB GLN 2 4.158 -4.708 -5.251 5 HG2 GLN 2 1HG GLN 2 3.866 -4.543 -7.614 6 HG3 GLN 2 2HG GLN 2 3.891 -6.258 -7.223 7 HE21 GLN 2 HE21 GLN 2 1.986 -7.514 -7.619 8 HE22 GLN 2 HE22 GLN 2 0.595 -6.849 -8.446 No H/Q in entry = 8 Start of MODEL 18 1 H ARG 3 H ARG 3 1.964 -8.446 -3.983 2 HA ARG 3 HA ARG 3 4.707 -9.327 -3.537 3 HB2 ARG 3 1HB ARG 3 2.661 -9.514 -1.929 4 HB3 ARG 3 2HB ARG 3 2.214 -10.909 -2.901 5 HG2 ARG 3 1HG ARG 3 3.409 -11.645 -0.963 6 HG3 ARG 3 2HG ARG 3 4.459 -11.941 -2.356 7 HD2 ARG 3 1HD ARG 3 5.861 -10.057 -1.795 8 HD3 ARG 3 2HD ARG 3 4.646 -9.429 -0.657 9 HE ARG 3 HE ARG 3 5.601 -12.076 0.038 10 HH12 ARG 3 HH11 ARG 3 7.277 -8.789 1.749 11 HH11 ARG 3 HH12 ARG 3 6.314 -8.601 0.305 12 HH21 ARG 3 HH21 ARG 3 6.918 -12.296 1.917 13 HH22 ARG 3 HH22 ARG 3 7.629 -10.879 2.650 No H/Q in entry = 13 Start of MODEL 18 1 H THR 4 H THR 4 5.654 -11.200 -4.325 2 HA THR 4 HA THR 4 4.769 -12.006 -6.997 3 HB THR 4 HB THR 4 7.076 -12.995 -7.079 4 HG1 THR 4 HG1 THR 4 7.242 -13.409 -4.834 5 HG23 THR 4 HG21 THR 4 8.305 -10.892 -7.075 6 HG22 THR 4 HG22 THR 4 7.060 -10.104 -6.092 7 HG21 THR 4 HG23 THR 4 6.689 -10.622 -7.752 No H/Q in entry = 7 Start of MODEL 18 1 HA PRO 5 HA PRO 5 3.604 -16.185 -5.609 2 HB2 PRO 5 1HB PRO 5 4.171 -17.641 -7.881 3 HB3 PRO 5 2HB PRO 5 2.744 -16.592 -7.733 4 HG2 PRO 5 1HG PRO 5 5.391 -15.941 -9.034 5 HG3 PRO 5 2HG PRO 5 3.747 -15.642 -9.667 6 HD2 PRO 5 1HD PRO 5 5.202 -13.700 -8.454 7 HD3 PRO 5 2HD PRO 5 3.435 -13.803 -8.206 No H/Q in entry = 7 Start of MODEL 18 1 H LYS 6 H LYS 6 4.943 -17.178 -4.157 2 HA LYS 6 HA LYS 6 7.811 -17.547 -4.745 3 HB2 LYS 6 1HB LYS 6 6.159 -18.161 -2.287 4 HB3 LYS 6 2HB LYS 6 7.887 -18.511 -2.476 5 HG2 LYS 6 1HG LYS 6 8.278 -16.073 -2.952 6 HG3 LYS 6 2HG LYS 6 6.563 -15.773 -2.602 7 HD2 LYS 6 1HD LYS 6 6.909 -16.687 -0.294 8 HD3 LYS 6 2HD LYS 6 8.609 -16.997 -0.692 9 HE2 LYS 6 1HE LYS 6 8.494 -14.927 0.560 10 HE3 LYS 6 2HE LYS 6 8.950 -14.559 -1.114 11 HZ2 LYS 6 1HZ LYS 6 6.282 -14.266 0.077 12 HZ1 LYS 6 2HZ LYS 6 6.632 -14.008 -1.513 13 HZ3 LYS 6 3HZ LYS 6 7.314 -13.054 -0.358 No H/Q in entry = 13 Start of MODEL 18 1 H ILE 7 H ILE 7 8.307 -19.114 -6.026 2 HA ILE 7 HA ILE 7 6.644 -21.261 -6.780 3 HB ILE 7 HB ILE 7 8.702 -21.992 -8.048 4 HG13 ILE 7 HG12 ILE 7 10.388 -21.047 -6.385 5 HG22 ILE 7 HG21 ILE 7 7.808 -19.083 -8.294 6 HG23 ILE 7 HG22 ILE 7 8.583 -20.020 -9.571 7 HG21 ILE 7 HG23 ILE 7 6.999 -20.510 -8.971 8 HD12 ILE 7 HD11 ILE 7 10.791 -20.055 -9.220 9 HD13 ILE 7 HD12 ILE 7 12.023 -20.332 -7.984 10 HD11 ILE 7 HD13 ILE 7 11.113 -21.708 -8.634 11 HG12 ILE 7 HG11 ILE 7 9.978 -19.429 -6.970 No H/Q in entry = 11 Start of MODEL 18 1 H GLN 8 H GLN 8 6.477 -23.330 -6.198 2 HA GLN 8 HA GLN 8 8.543 -24.694 -4.587 3 HB2 GLN 8 1HB GLN 8 5.631 -24.454 -3.729 4 HB3 GLN 8 2HB GLN 8 6.815 -25.556 -3.027 5 HG2 GLN 8 1HG GLN 8 8.092 -23.636 -2.169 6 HG3 GLN 8 2HG GLN 8 6.988 -22.509 -2.978 7 HE21 GLN 8 HE21 GLN 8 6.553 -25.421 -0.861 8 HE22 GLN 8 HE22 GLN 8 5.417 -24.638 0.215 No H/Q in entry = 8 Start of MODEL 18 1 H VAL 9 H VAL 9 8.794 -25.609 -6.776 2 HA VAL 9 HA VAL 9 6.488 -27.070 -7.883 3 HB VAL 9 HB VAL 9 9.177 -26.595 -9.117 4 HG11 VAL 9 HG11 VAL 9 7.823 -28.394 -10.168 5 HG12 VAL 9 HG12 VAL 9 6.446 -27.282 -10.303 6 HG13 VAL 9 HG13 VAL 9 7.930 -26.987 -11.233 7 HG21 VAL 9 HG21 VAL 9 6.644 -24.918 -9.222 8 HG22 VAL 9 HG22 VAL 9 8.248 -24.407 -8.666 9 HG23 VAL 9 HG23 VAL 9 7.973 -24.766 -10.384 No H/Q in entry = 9 Start of MODEL 18 1 H TYR 10 H TYR 10 6.480 -28.775 -6.386 2 HA TYR 10 HA TYR 10 8.668 -30.785 -6.565 3 HB2 TYR 10 1HB TYR 10 7.688 -31.820 -4.664 4 HB3 TYR 10 2HB TYR 10 8.080 -30.133 -4.391 5 HD1 TYR 10 HD1 TYR 10 5.419 -32.641 -4.400 6 HD2 TYR 10 HD2 TYR 10 6.281 -28.426 -4.156 7 HE1 TYR 10 HE1 TYR 10 3.183 -32.240 -3.423 8 HE2 TYR 10 HE2 TYR 10 4.013 -28.016 -3.246 9 HH TYR 10 HH TYR 10 1.663 -30.664 -2.699 No H/Q in entry = 9 Start of MODEL 18 1 H SER 11 H SER 11 8.108 -33.063 -6.975 2 HA SER 11 HA SER 11 5.676 -33.546 -8.585 3 HB2 SER 11 1HB SER 11 6.704 -35.797 -8.843 4 HB3 SER 11 2HB SER 11 7.568 -34.444 -9.557 5 HG SER 11 HG SER 11 8.876 -35.964 -8.310 No H/Q in entry = 5 Start of MODEL 18 1 H ARG 12 H ARG 12 4.062 -34.918 -7.897 2 HA ARG 12 HA ARG 12 3.760 -35.467 -5.096 3 HB2 ARG 12 1HB ARG 12 1.830 -34.997 -6.539 4 HB3 ARG 12 2HB ARG 12 2.201 -36.407 -7.526 5 HG2 ARG 12 1HG ARG 12 0.329 -36.855 -6.073 6 HG3 ARG 12 2HG ARG 12 1.668 -37.905 -5.616 7 HD2 ARG 12 1HD ARG 12 1.026 -35.268 -4.228 8 HD3 ARG 12 2HD ARG 12 0.344 -36.821 -3.714 9 HE ARG 12 HE ARG 12 2.925 -37.472 -3.702 10 HH12 ARG 12 HH11 ARG 12 2.717 -34.281 -1.209 11 HH11 ARG 12 HH12 ARG 12 1.396 -34.559 -2.315 12 HH21 ARG 12 HH21 ARG 12 4.610 -37.059 -2.275 13 HH22 ARG 12 HH22 ARG 12 4.534 -35.706 -1.172 No H/Q in entry = 13 Start of MODEL 18 1 H HIS 13 H HIS 13 4.259 -37.485 -8.023 2 HA HIS 13 HA HIS 13 4.915 -39.881 -6.449 3 HB2 HIS 13 1HB HIS 13 4.596 -39.289 -9.416 4 HB3 HIS 13 2HB HIS 13 5.027 -40.875 -8.795 5 HD1 HIS 13 HD1 HIS 13 3.193 -42.351 -7.830 6 HD2 HIS 13 HD2 HIS 13 1.892 -38.458 -8.669 7 HE1 HIS 13 HE1 HIS 13 0.670 -42.312 -7.526 No H/Q in entry = 7 Start of MODEL 18 1 HA PRO 14 HA PRO 14 9.358 -39.402 -7.108 2 HB2 PRO 14 1HB PRO 14 10.220 -41.985 -7.393 3 HB3 PRO 14 2HB PRO 14 9.660 -41.315 -5.835 4 HG2 PRO 14 1HG PRO 14 8.042 -42.921 -7.831 5 HG3 PRO 14 2HG PRO 14 8.210 -43.216 -6.075 6 HD2 PRO 14 1HD PRO 14 6.087 -41.874 -7.076 7 HD3 PRO 14 2HD PRO 14 6.852 -41.327 -5.558 No H/Q in entry = 7 Start of MODEL 18 1 H ALA 15 H ALA 15 10.882 -39.443 -8.812 2 HA ALA 15 HA ALA 15 9.641 -39.247 -11.433 3 HB3 ALA 15 1HB ALA 15 11.773 -38.182 -12.021 4 HB1 ALA 15 2HB ALA 15 11.109 -37.523 -10.510 5 HB2 ALA 15 3HB ALA 15 12.465 -38.667 -10.454 No H/Q in entry = 5 Start of MODEL 18 1 H GLU 16 H GLU 16 9.258 -41.720 -11.343 2 HA GLU 16 HA GLU 16 11.545 -43.411 -12.011 3 HB2 GLU 16 1HB GLU 16 8.543 -43.888 -11.919 4 HB3 GLU 16 2HB GLU 16 9.747 -45.137 -12.300 5 HG2 GLU 16 1HG GLU 16 10.820 -44.813 -10.109 6 HG3 GLU 16 2HG GLU 16 9.660 -43.543 -9.695 No H/Q in entry = 6 Start of MODEL 18 1 H ASN 17 H ASN 17 11.990 -44.315 -14.014 2 HA ASN 17 HA ASN 17 11.365 -42.632 -16.266 3 HB2 ASN 17 1HB ASN 17 12.894 -45.261 -16.166 4 HB3 ASN 17 2HB ASN 17 12.917 -44.082 -17.481 5 HD21 ASN 17 HD21 ASN 17 13.503 -41.740 -16.719 6 HD22 ASN 17 HD22 ASN 17 14.867 -41.627 -15.627 No H/Q in entry = 6 Start of MODEL 18 1 H GLY 18 H GLY 18 9.777 -42.863 -17.711 2 HA3 GLY 18 1HA GLY 18 8.036 -43.691 -18.916 3 HA2 GLY 18 2HA GLY 18 8.726 -45.309 -18.711 No H/Q in entry = 3 Start of MODEL 18 1 H LYS 19 H LYS 19 7.251 -42.832 -16.500 2 HA LYS 19 HA LYS 19 4.984 -44.561 -15.910 3 HB2 LYS 19 1HB LYS 19 6.884 -45.497 -14.531 4 HB3 LYS 19 2HB LYS 19 6.951 -43.946 -13.675 5 HG2 LYS 19 1HG LYS 19 4.560 -44.261 -12.994 6 HG3 LYS 19 2HG LYS 19 4.542 -45.818 -13.831 7 HD2 LYS 19 1HD LYS 19 6.238 -45.008 -11.431 8 HD3 LYS 19 2HD LYS 19 4.869 -46.122 -11.423 9 HE2 LYS 19 1HE LYS 19 7.592 -46.601 -12.724 10 HE3 LYS 19 2HE LYS 19 6.925 -47.389 -11.295 11 HZ1 LYS 19 1HZ LYS 19 5.190 -48.290 -12.676 12 HZ3 LYS 19 2HZ LYS 19 6.687 -48.771 -13.175 13 HZ2 LYS 19 3HZ LYS 19 5.871 -47.612 -14.018 No H/Q in entry = 13 Start of MODEL 18 1 H SER 20 H SER 20 3.306 -43.287 -15.514 2 HA SER 20 HA SER 20 3.187 -40.567 -15.740 3 HB2 SER 20 1HB SER 20 0.931 -40.799 -14.602 4 HB3 SER 20 2HB SER 20 1.222 -41.915 -15.950 5 HG SER 20 HG SER 20 1.705 -43.516 -14.428 No H/Q in entry = 5 Start of MODEL 18 1 H ASN 21 H ASN 21 3.072 -38.776 -14.428 2 HA ASN 21 HA ASN 21 3.643 -38.971 -11.545 3 HB2 ASN 21 1HB ASN 21 5.827 -39.202 -12.810 4 HB3 ASN 21 2HB ASN 21 5.529 -37.617 -13.524 5 HD21 ASN 21 HD21 ASN 21 7.276 -39.115 -11.145 6 HD22 ASN 21 HD22 ASN 21 7.413 -37.801 -10.004 No H/Q in entry = 6 Start of MODEL 18 1 H PHE 22 H PHE 22 2.501 -37.371 -10.560 2 HA PHE 22 HA PHE 22 1.391 -35.170 -12.171 3 HB2 PHE 22 1HB PHE 22 0.875 -36.155 -9.374 4 HB3 PHE 22 2HB PHE 22 0.246 -34.632 -9.981 5 HD1 PHE 22 HD1 PHE 22 0.128 -38.337 -10.480 6 HD2 PHE 22 HD2 PHE 22 -1.596 -34.524 -11.529 7 HE1 PHE 22 HE1 PHE 22 -1.887 -39.483 -11.348 8 HE2 PHE 22 HE2 PHE 22 -3.630 -35.676 -12.351 9 HZ PHE 22 HZ PHE 22 -3.791 -38.154 -12.241 No H/Q in entry = 9 Start of MODEL 18 1 H LEU 23 H LEU 23 2.021 -33.083 -12.036 2 HA LEU 23 HA LEU 23 4.405 -32.326 -10.501 3 HB2 LEU 23 1HB LEU 23 3.836 -31.651 -12.927 4 HB3 LEU 23 2HB LEU 23 2.561 -30.648 -12.252 5 HG LEU 23 HG LEU 23 4.356 -29.325 -11.028 6 HD11 LEU 23 HD11 LEU 23 6.211 -31.057 -12.737 7 HD13 LEU 23 HD12 LEU 23 6.168 -31.032 -10.960 8 HD12 LEU 23 HD13 LEU 23 6.695 -29.603 -11.855 9 HD23 LEU 23 HD21 LEU 23 5.134 -28.153 -13.024 10 HD22 LEU 23 HD22 LEU 23 3.414 -28.558 -13.137 11 HD21 LEU 23 HD23 LEU 23 4.610 -29.512 -14.043 No H/Q in entry = 11 Start of MODEL 18 1 H ASN 24 H ASN 24 4.320 -30.329 -9.069 2 HA ASN 24 HA ASN 24 1.633 -29.422 -8.218 3 HB2 ASN 24 1HB ASN 24 3.833 -30.316 -6.307 4 HB3 ASN 24 2HB ASN 24 2.315 -29.549 -5.849 5 HD21 ASN 24 HD21 ASN 24 0.270 -30.791 -6.569 6 HD22 ASN 24 HD22 ASN 24 0.335 -32.534 -6.430 No H/Q in entry = 6 Start of MODEL 18 1 H CYS 25 H CYS 25 2.371 -27.652 -9.652 2 HA CYS 25 HA CYS 25 4.669 -26.062 -8.769 3 HB2 CYS 25 1HB CYS 25 4.129 -26.178 -11.128 4 HB3 CYS 25 2HB CYS 25 2.552 -25.439 -10.843 No H/Q in entry = 4 Start of MODEL 18 1 H TYR 26 H TYR 26 3.956 -25.961 -6.551 2 HA TYR 26 HA TYR 26 1.507 -24.646 -5.828 3 HB2 TYR 26 1HB TYR 26 2.496 -26.546 -4.677 4 HB3 TYR 26 2HB TYR 26 3.869 -25.589 -4.189 5 HD1 TYR 26 HD1 TYR 26 0.640 -26.758 -3.281 6 HD2 TYR 26 HD2 TYR 26 3.432 -23.538 -2.616 7 HE1 TYR 26 HE1 TYR 26 -0.255 -26.454 -1.002 8 HE2 TYR 26 HE2 TYR 26 2.543 -23.246 -0.332 9 HH TYR 26 HH TYR 26 1.019 -23.952 1.233 No H/Q in entry = 9 Start of MODEL 18 1 H VAL 27 H VAL 27 1.344 -22.524 -6.271 2 HA VAL 27 HA VAL 27 3.638 -20.696 -5.870 3 HB VAL 27 HB VAL 27 2.257 -19.135 -7.176 4 HG11 VAL 27 HG11 VAL 27 4.081 -20.485 -8.140 5 HG12 VAL 27 HG12 VAL 27 2.946 -21.810 -8.461 6 HG13 VAL 27 HG13 VAL 27 2.769 -20.265 -9.311 7 HG21 VAL 27 HG21 VAL 27 0.481 -21.556 -7.762 8 HG22 VAL 27 HG22 VAL 27 -0.032 -20.069 -6.937 9 HG23 VAL 27 HG23 VAL 27 0.493 -20.007 -8.612 No H/Q in entry = 9 Start of MODEL 18 1 H SER 28 H SER 28 3.715 -19.859 -3.814 2 HA SER 28 HA SER 28 1.187 -19.265 -2.388 3 HB2 SER 28 1HB SER 28 2.580 -19.220 -0.403 4 HB3 SER 28 2HB SER 28 2.661 -20.749 -1.294 5 HG SER 28 HG SER 28 4.637 -20.065 -2.173 No H/Q in entry = 5 Start of MODEL 18 1 H GLY 29 H GLY 29 0.476 -17.274 -2.007 2 HA3 GLY 29 1HA GLY 29 0.452 -15.135 -1.273 3 HA2 GLY 29 2HA GLY 29 2.199 -15.225 -1.057 No H/Q in entry = 3 Start of MODEL 18 1 H PHE 30 H PHE 30 0.177 -15.416 -4.039 2 HA PHE 30 HA PHE 30 1.776 -13.260 -5.282 3 HB2 PHE 30 1HB PHE 30 0.621 -13.936 -7.334 4 HB3 PHE 30 2HB PHE 30 1.660 -15.114 -6.562 5 HD1 PHE 30 HD1 PHE 30 0.695 -17.140 -5.424 6 HD2 PHE 30 HD2 PHE 30 -1.725 -14.411 -7.724 7 HE1 PHE 30 HE1 PHE 30 -1.254 -18.672 -5.228 8 HE2 PHE 30 HE2 PHE 30 -3.653 -15.977 -7.532 9 HZ PHE 30 HZ PHE 30 -3.433 -18.028 -6.154 No H/Q in entry = 9 Start of MODEL 18 1 H HIS 31 H HIS 31 1.038 -11.330 -4.576 2 HA HIS 31 HA HIS 31 -1.862 -10.702 -4.656 3 HB2 HIS 31 1HB HIS 31 0.439 -9.343 -3.327 4 HB3 HIS 31 2HB HIS 31 -1.150 -8.609 -3.547 5 HD1 HIS 31 HD1 HIS 31 -3.098 -9.403 -2.166 6 HD2 HIS 31 HD2 HIS 31 0.411 -11.594 -1.492 7 HE1 HIS 31 HE1 HIS 31 -3.506 -10.858 -0.154 No H/Q in entry = 7 Start of MODEL 18 1 HA PRO 32 HA PRO 32 -3.444 -9.576 -5.628 2 HB2 PRO 32 1HB PRO 32 -4.827 -9.178 -7.893 3 HB3 PRO 32 2HB PRO 32 -4.130 -7.809 -6.982 4 HG2 PRO 32 1HG PRO 32 -2.864 -9.248 -9.348 5 HG3 PRO 32 2HG PRO 32 -3.204 -7.497 -9.215 6 HD2 PRO 32 1HD PRO 32 -0.769 -8.524 -8.546 7 HD3 PRO 32 2HD PRO 32 -1.501 -7.223 -7.562 No H/Q in entry = 7 Start of MODEL 18 1 H SER 33 H SER 33 -5.121 -11.166 -6.652 2 HA SER 33 HA SER 33 -3.894 -13.693 -6.989 3 HB2 SER 33 1HB SER 33 -6.222 -14.494 -7.256 4 HB3 SER 33 2HB SER 33 -6.010 -13.423 -5.860 5 HG SER 33 HG SER 33 -7.859 -12.940 -7.179 No H/Q in entry = 5 Start of MODEL 18 1 H ASP 34 H ASP 34 -4.241 -11.290 -9.360 2 HA ASP 34 HA ASP 34 -5.072 -12.869 -11.608 3 HB2 ASP 34 1HB ASP 34 -5.465 -10.468 -11.424 4 HB3 ASP 34 2HB ASP 34 -3.725 -10.151 -11.392 No H/Q in entry = 4 Start of MODEL 18 1 H ILE 35 H ILE 35 -3.564 -14.653 -11.187 2 HA ILE 35 HA ILE 35 -0.830 -14.286 -12.221 3 HB ILE 35 HB ILE 35 -1.277 -15.302 -10.011 4 HG13 ILE 35 HG12 ILE 35 0.836 -15.516 -11.226 5 HG21 ILE 35 HG21 ILE 35 -3.279 -16.675 -10.720 6 HG22 ILE 35 HG22 ILE 35 -2.163 -17.755 -11.578 7 HG23 ILE 35 HG23 ILE 35 -2.066 -17.573 -9.816 8 HD13 ILE 35 HD11 ILE 35 1.730 -17.452 -10.080 9 HD11 ILE 35 HD12 ILE 35 0.614 -16.578 -9.010 10 HD12 ILE 35 HD13 ILE 35 0.106 -18.090 -9.797 11 HG12 ILE 35 HG11 ILE 35 0.265 -16.994 -12.005 No H/Q in entry = 11 Start of MODEL 18 1 H GLU 36 H GLU 36 0.031 -15.728 -13.869 2 HA GLU 36 HA GLU 36 -1.950 -17.144 -15.611 3 HB2 GLU 36 1HB GLU 36 0.366 -15.414 -16.478 4 HB3 GLU 36 2HB GLU 36 -0.748 -16.290 -17.529 5 HG2 GLU 36 1HG GLU 36 -1.496 -14.084 -17.650 6 HG3 GLU 36 2HG GLU 36 -2.628 -14.858 -16.535 No H/Q in entry = 6 Start of MODEL 18 1 H VAL 37 H VAL 37 -1.079 -18.919 -14.162 2 HA VAL 37 HA VAL 37 1.648 -19.847 -14.723 3 HB VAL 37 HB VAL 37 -0.584 -21.265 -13.262 4 HG13 VAL 37 HG11 VAL 37 1.220 -22.791 -14.000 5 HG11 VAL 37 HG12 VAL 37 2.431 -21.665 -13.353 6 HG12 VAL 37 HG13 VAL 37 1.336 -22.532 -12.256 7 HG23 VAL 37 HG21 VAL 37 0.777 -20.480 -11.223 8 HG21 VAL 37 HG22 VAL 37 1.613 -19.369 -12.319 9 HG22 VAL 37 HG23 VAL 37 -0.144 -19.231 -12.066 No H/Q in entry = 9 Start of MODEL 18 1 H ASP 38 H ASP 38 1.651 -20.041 -16.915 2 HA ASP 38 HA ASP 38 -0.306 -21.783 -18.321 3 HB2 ASP 38 1HB ASP 38 1.719 -19.754 -19.285 4 HB3 ASP 38 2HB ASP 38 0.586 -20.644 -20.324 No H/Q in entry = 4 Start of MODEL 18 1 H LEU 39 H LEU 39 1.215 -23.476 -16.949 2 HA LEU 39 HA LEU 39 3.882 -23.718 -17.629 3 HB2 LEU 39 1HB LEU 39 3.882 -25.754 -16.345 4 HB3 LEU 39 2HB LEU 39 2.887 -24.528 -15.555 5 HG LEU 39 HG LEU 39 1.229 -26.091 -17.384 6 HD11 LEU 39 HD11 LEU 39 2.893 -27.707 -15.404 7 HD13 LEU 39 HD12 LEU 39 2.940 -27.831 -17.179 8 HD12 LEU 39 HD13 LEU 39 1.470 -28.286 -16.292 9 HD22 LEU 39 HD21 LEU 39 0.363 -24.902 -15.404 10 HD21 LEU 39 HD22 LEU 39 1.323 -25.948 -14.331 11 HD23 LEU 39 HD23 LEU 39 0.004 -26.634 -15.296 No H/Q in entry = 11 Start of MODEL 18 1 H LEU 40 H LEU 40 5.107 -25.489 -18.372 2 HA LEU 40 HA LEU 40 4.125 -26.495 -21.006 3 HB2 LEU 40 1HB LEU 40 6.924 -25.552 -20.329 4 HB3 LEU 40 2HB LEU 40 6.250 -25.896 -21.928 5 HG LEU 40 HG LEU 40 5.546 -23.556 -20.103 6 HD13 LEU 40 HD11 LEU 40 6.674 -22.204 -21.807 7 HD12 LEU 40 HD12 LEU 40 6.997 -23.654 -22.775 8 HD11 LEU 40 HD13 LEU 40 7.771 -23.448 -21.187 9 HD23 LEU 40 HD21 LEU 40 4.236 -22.691 -22.036 10 HD22 LEU 40 HD22 LEU 40 3.549 -24.162 -21.372 11 HD21 LEU 40 HD23 LEU 40 4.483 -24.243 -22.876 No H/Q in entry = 11 Start of MODEL 18 1 H LYS 41 H LYS 41 5.268 -28.292 -21.876 2 HA LYS 41 HA LYS 41 7.184 -29.721 -20.154 3 HB2 LYS 41 1HB LYS 41 6.243 -31.885 -20.683 4 HB3 LYS 41 2HB LYS 41 5.114 -30.905 -19.730 5 HG2 LYS 41 1HG LYS 41 3.861 -30.399 -21.852 6 HG3 LYS 41 2HG LYS 41 4.949 -31.508 -22.714 7 HD2 LYS 41 1HD LYS 41 4.287 -33.374 -21.287 8 HD3 LYS 41 2HD LYS 41 3.215 -32.318 -20.358 9 HE2 LYS 41 1HE LYS 41 1.946 -33.641 -21.985 10 HE3 LYS 41 2HE LYS 41 1.831 -31.920 -22.380 11 HZ2 LYS 41 1HZ LYS 41 2.227 -33.302 -24.290 12 HZ1 LYS 41 2HZ LYS 41 3.658 -33.827 -23.663 13 HZ3 LYS 41 3HZ LYS 41 3.467 -32.241 -24.066 No H/Q in entry = 13 Start of MODEL 18 1 H ASN 42 H ASN 42 9.003 -29.811 -21.309 2 HA ASN 42 HA ASN 42 10.450 -29.675 -23.035 3 HB2 ASN 42 1HB ASN 42 8.364 -31.262 -24.588 4 HB3 ASN 42 2HB ASN 42 10.081 -31.121 -24.964 5 HD21 ASN 42 HD21 ASN 42 11.627 -32.285 -23.735 6 HD22 ASN 42 HD22 ASN 42 11.145 -33.546 -22.622 No H/Q in entry = 6 Start of MODEL 18 1 H GLY 43 H GLY 43 8.595 -27.468 -22.674 2 HA3 GLY 43 1HA GLY 43 8.388 -25.432 -23.731 3 HA2 GLY 43 2HA GLY 43 8.839 -26.133 -25.285 No H/Q in entry = 3 Start of MODEL 18 1 H GLU 44 H GLU 44 6.649 -28.350 -24.614 2 HA GLU 44 HA GLU 44 4.595 -27.064 -26.194 3 HB2 GLU 44 1HB GLU 44 4.566 -29.816 -24.892 4 HB3 GLU 44 2HB GLU 44 3.562 -29.242 -26.222 5 HG2 GLU 44 1HG GLU 44 6.586 -29.674 -26.298 6 HG3 GLU 44 2HG GLU 44 5.354 -30.705 -27.018 No H/Q in entry = 6 Start of MODEL 18 1 H ARG 45 H ARG 45 3.024 -25.826 -25.354 2 HA ARG 45 HA ARG 45 2.427 -25.710 -22.559 3 HB2 ARG 45 1HB ARG 45 2.182 -23.846 -24.232 4 HB3 ARG 45 2HB ARG 45 0.738 -24.669 -24.855 5 HG2 ARG 45 1HG ARG 45 -0.241 -24.568 -22.510 6 HG3 ARG 45 2HG ARG 45 1.185 -23.651 -21.997 7 HD2 ARG 45 1HD ARG 45 -0.844 -22.866 -24.120 8 HD3 ARG 45 2HD ARG 45 -0.733 -22.187 -22.482 9 HE ARG 45 HE ARG 45 1.778 -21.771 -23.566 10 HH12 ARG 45 HH11 ARG 45 -1.023 -19.435 -25.367 11 HH11 ARG 45 HH12 ARG 45 -1.527 -20.870 -24.508 12 HH21 ARG 45 HH21 ARG 45 2.419 -19.887 -24.709 13 HH22 ARG 45 HH22 ARG 45 1.217 -18.875 -25.477 No H/Q in entry = 13 Start of MODEL 18 1 H ILE 46 H ILE 46 0.824 -26.600 -21.372 2 HA ILE 46 HA ILE 46 -0.459 -28.994 -22.513 3 HB ILE 46 HB ILE 46 -0.252 -28.098 -19.620 4 HG13 ILE 46 HG12 ILE 46 2.003 -28.253 -20.479 5 HG23 ILE 46 HG21 ILE 46 -0.757 -30.443 -19.150 6 HG21 ILE 46 HG22 ILE 46 -2.006 -29.809 -20.207 7 HG22 ILE 46 HG23 ILE 46 -0.732 -30.837 -20.883 8 HD13 ILE 46 HD11 ILE 46 2.943 -29.934 -19.145 9 HD11 ILE 46 HD12 ILE 46 1.445 -29.456 -18.323 10 HD12 ILE 46 HD13 ILE 46 1.507 -30.969 -19.260 11 HG12 ILE 46 HG11 ILE 46 1.640 -29.759 -21.336 No H/Q in entry = 11 Start of MODEL 18 1 H GLU 47 H GLU 47 -2.459 -28.656 -23.363 2 HA GLU 47 HA GLU 47 -4.268 -26.563 -22.333 3 HB2 GLU 47 1HB GLU 47 -4.382 -28.518 -24.661 4 HB3 GLU 47 2HB GLU 47 -5.731 -27.467 -24.208 5 HG2 GLU 47 1HG GLU 47 -4.526 -26.431 -25.993 6 HG3 GLU 47 2HG GLU 47 -4.392 -25.460 -24.524 No H/Q in entry = 6 Start of MODEL 18 1 H LYS 48 H LYS 48 -3.718 -28.266 -20.315 2 HA LYS 48 HA LYS 48 -6.273 -29.214 -19.499 3 HB2 LYS 48 1HB LYS 48 -5.576 -31.130 -21.018 4 HB3 LYS 48 2HB LYS 48 -4.193 -31.405 -19.955 5 HG2 LYS 48 1HG LYS 48 -5.812 -31.805 -18.059 6 HG3 LYS 48 2HG LYS 48 -7.151 -31.495 -19.177 7 HD2 LYS 48 1HD LYS 48 -6.434 -33.416 -20.566 8 HD3 LYS 48 2HD LYS 48 -5.067 -33.704 -19.466 9 HE2 LYS 48 1HE LYS 48 -6.646 -34.091 -17.594 10 HE3 LYS 48 2HE LYS 48 -8.017 -33.793 -18.681 11 HZ2 LYS 48 1HZ LYS 48 -7.588 -36.113 -18.398 12 HZ1 LYS 48 2HZ LYS 48 -6.045 -35.948 -18.959 13 HZ3 LYS 48 3HZ LYS 48 -7.323 -35.677 -19.968 No H/Q in entry = 13 Start of MODEL 18 1 H VAL 49 H VAL 49 -5.111 -27.346 -18.279 2 HA VAL 49 HA VAL 49 -3.192 -28.265 -16.240 3 HB VAL 49 HB VAL 49 -4.596 -25.587 -16.548 4 HG12 VAL 49 HG11 VAL 49 -2.683 -24.846 -15.085 5 HG13 VAL 49 HG12 VAL 49 -3.854 -25.914 -14.285 6 HG11 VAL 49 HG13 VAL 49 -2.288 -26.557 -14.815 7 HG21 VAL 49 HG21 VAL 49 -1.842 -26.500 -17.494 8 HG22 VAL 49 HG22 VAL 49 -3.192 -25.926 -18.502 9 HG23 VAL 49 HG23 VAL 49 -2.372 -24.807 -17.410 No H/Q in entry = 9 Start of MODEL 18 1 H GLU 50 H GLU 50 -3.829 -29.024 -14.297 2 HA GLU 50 HA GLU 50 -6.689 -28.755 -13.446 3 HB2 GLU 50 1HB GLU 50 -4.676 -30.839 -12.556 4 HB3 GLU 50 2HB GLU 50 -6.405 -30.778 -12.201 5 HG2 GLU 50 1HG GLU 50 -5.084 -31.326 -14.900 6 HG3 GLU 50 2HG GLU 50 -5.954 -32.471 -13.878 No H/Q in entry = 6 Start of MODEL 18 1 H HIS 51 H HIS 51 -7.042 -27.754 -11.489 2 HA HIS 51 HA HIS 51 -4.775 -27.023 -9.749 3 HB2 HIS 51 1HB HIS 51 -5.212 -24.607 -10.049 4 HB3 HIS 51 2HB HIS 51 -4.659 -25.375 -11.539 5 HD1 HIS 51 HD1 HIS 51 -7.807 -23.963 -9.922 6 HD2 HIS 51 HD2 HIS 51 -6.493 -25.333 -13.660 7 HE1 HIS 51 HE1 HIS 51 -9.607 -23.380 -11.621 No H/Q in entry = 7 Start of MODEL 18 1 H SER 52 H SER 52 -5.476 -25.731 -7.890 2 HA SER 52 HA SER 52 -8.009 -26.777 -6.800 3 HB2 SER 52 1HB SER 52 -5.808 -26.926 -5.591 4 HB3 SER 52 2HB SER 52 -5.795 -25.154 -5.477 5 HG SER 52 HG SER 52 -7.815 -26.886 -4.476 No H/Q in entry = 5 Start of MODEL 18 1 H ASP 53 H ASP 53 -8.863 -24.950 -5.108 2 HA ASP 53 HA ASP 53 -9.837 -22.663 -6.671 3 HB2 ASP 53 1HB ASP 53 -11.144 -22.177 -4.690 4 HB3 ASP 53 2HB ASP 53 -11.286 -23.897 -5.064 No H/Q in entry = 4 Start of MODEL 18 1 H LEU 54 H LEU 54 -9.728 -20.487 -5.452 2 HA LEU 54 HA LEU 54 -6.959 -19.777 -4.914 3 HB2 LEU 54 1HB LEU 54 -8.611 -18.320 -6.146 4 HB3 LEU 54 2HB LEU 54 -9.515 -18.149 -4.640 5 HG LEU 54 HG LEU 54 -7.302 -17.282 -3.615 6 HD12 LEU 54 HD11 LEU 54 -5.743 -16.217 -5.258 7 HD11 LEU 54 HD12 LEU 54 -6.620 -17.006 -6.581 8 HD13 LEU 54 HD13 LEU 54 -5.739 -17.979 -5.385 9 HD21 LEU 54 HD21 LEU 54 -8.685 -15.684 -5.826 10 HD23 LEU 54 HD22 LEU 54 -7.726 -14.988 -4.508 11 HD22 LEU 54 HD23 LEU 54 -9.242 -15.828 -4.146 No H/Q in entry = 11 Start of MODEL 18 1 H SER 55 H SER 55 -6.522 -21.135 -3.145 2 HA SER 55 HA SER 55 -8.212 -21.147 -0.778 3 HB2 SER 55 1HB SER 55 -5.514 -22.479 -1.213 4 HB3 SER 55 2HB SER 55 -6.741 -22.874 0.008 5 HG SER 55 HG SER 55 -8.152 -23.323 -1.815 No H/Q in entry = 5 Start of MODEL 18 1 H PHE 56 H PHE 56 -7.914 -20.007 1.053 2 HA PHE 56 HA PHE 56 -5.838 -17.919 1.084 3 HB2 PHE 56 1HB PHE 56 -8.234 -18.350 2.892 4 HB3 PHE 56 2HB PHE 56 -7.278 -16.880 2.722 5 HD1 PHE 56 HD1 PHE 56 -10.153 -18.697 1.552 6 HD2 PHE 56 HD2 PHE 56 -7.189 -15.828 0.293 7 HE1 PHE 56 HE1 PHE 56 -11.561 -18.096 -0.394 8 HE2 PHE 56 HE2 PHE 56 -8.618 -15.228 -1.653 9 HZ PHE 56 HZ PHE 56 -10.791 -16.366 -2.003 No H/Q in entry = 9 Start of MODEL 18 1 H SER 57 H SER 57 -3.997 -18.216 2.247 2 HA SER 57 HA SER 57 -3.381 -20.497 3.729 3 HB2 SER 57 1HB SER 57 -2.118 -17.718 3.868 4 HB3 SER 57 2HB SER 57 -1.401 -19.222 4.481 5 HG SER 57 HG SER 57 -1.605 -20.019 2.302 No H/Q in entry = 5 Start of MODEL 18 1 H LYS 58 H LYS 58 -3.638 -17.248 5.162 2 HA LYS 58 HA LYS 58 -5.519 -18.081 7.216 3 HB2 LYS 58 1HB LYS 58 -4.075 -17.470 9.119 4 HB3 LYS 58 2HB LYS 58 -3.392 -18.831 8.224 5 HG2 LYS 58 1HG LYS 58 -1.831 -17.300 7.052 6 HG3 LYS 58 2HG LYS 58 -2.528 -15.924 7.936 7 HD2 LYS 58 1HD LYS 58 -1.740 -16.827 10.061 8 HD3 LYS 58 2HD LYS 58 -1.176 -18.305 9.260 9 HE2 LYS 58 1HE LYS 58 0.705 -16.773 9.683 10 HE3 LYS 58 2HE LYS 58 0.461 -17.026 7.947 11 HZ3 LYS 58 1HZ LYS 58 0.839 -14.743 8.452 12 HZ2 LYS 58 2HZ LYS 58 -0.447 -14.694 9.483 13 HZ1 LYS 58 3HZ LYS 58 -0.687 -14.932 7.868 No H/Q in entry = 13 Start of MODEL 18 1 H ASP 59 H ASP 59 -4.941 -16.107 4.896 2 HA ASP 59 HA ASP 59 -5.969 -13.636 5.856 3 HB2 ASP 59 1HB ASP 59 -3.923 -12.304 5.793 4 HB3 ASP 59 2HB ASP 59 -3.714 -13.562 6.986 No H/Q in entry = 4 Start of MODEL 18 1 H GLY 60 H GLY 60 -4.594 -12.014 3.942 2 HA3 GLY 60 1HA GLY 60 -5.934 -12.540 1.536 3 HA2 GLY 60 2HA GLY 60 -4.581 -11.431 1.779 No H/Q in entry = 3 Start of MODEL 18 1 H SER 61 H SER 61 -2.640 -13.553 2.584 2 HA SER 61 HA SER 61 -1.510 -14.144 0.103 3 HB2 SER 61 1HB SER 61 -1.107 -15.511 2.787 4 HB3 SER 61 2HB SER 61 -0.050 -15.697 1.370 5 HG SER 61 HG SER 61 0.171 -13.378 1.407 No H/Q in entry = 5 Start of MODEL 18 1 H PHE 62 H PHE 62 -1.995 -15.489 -1.454 2 HA PHE 62 HA PHE 62 -4.040 -17.561 -1.032 3 HB2 PHE 62 1HB PHE 62 -3.006 -16.585 -3.680 4 HB3 PHE 62 2HB PHE 62 -4.569 -17.274 -3.277 5 HD1 PHE 62 HD1 PHE 62 -2.444 -14.281 -3.357 6 HD2 PHE 62 HD2 PHE 62 -6.300 -15.784 -2.191 7 HE1 PHE 62 HE1 PHE 62 -3.379 -11.985 -3.497 8 HE2 PHE 62 HE2 PHE 62 -7.224 -13.469 -2.290 9 HZ PHE 62 HZ PHE 62 -5.768 -11.579 -2.958 No H/Q in entry = 9 Start of MODEL 18 1 H TYR 63 H TYR 63 -3.252 -19.690 -0.841 2 HA TYR 63 HA TYR 63 -0.780 -20.457 -2.277 3 HB2 TYR 63 1HB TYR 63 -0.544 -22.225 -0.929 4 HB3 TYR 63 2HB TYR 63 -0.872 -20.813 0.055 5 HD1 TYR 63 HD1 TYR 63 -1.796 -24.238 -0.676 6 HD2 TYR 63 HD2 TYR 63 -3.282 -20.579 1.048 7 HE1 TYR 63 HE1 TYR 63 -3.526 -25.516 0.530 8 HE2 TYR 63 HE2 TYR 63 -5.019 -21.876 2.265 9 HH TYR 63 HH TYR 63 -5.353 -25.412 1.941 No H/Q in entry = 9 Start of MODEL 18 1 H LEU 64 H LEU 64 -1.493 -20.692 -4.391 2 HA LEU 64 HA LEU 64 -3.576 -22.725 -5.015 3 HB2 LEU 64 1HB LEU 64 -2.913 -20.277 -6.114 4 HB3 LEU 64 2HB LEU 64 -2.303 -21.420 -7.299 5 HG LEU 64 HG LEU 64 -5.133 -21.503 -6.133 6 HD13 LEU 64 HD11 LEU 64 -4.875 -19.373 -7.237 7 HD12 LEU 64 HD12 LEU 64 -5.844 -20.430 -8.263 8 HD11 LEU 64 HD13 LEU 64 -4.132 -20.145 -8.648 9 HD22 LEU 64 HD21 LEU 64 -4.656 -23.618 -7.120 10 HD21 LEU 64 HD22 LEU 64 -3.834 -22.875 -8.520 11 HD23 LEU 64 HD23 LEU 64 -5.588 -22.731 -8.318 No H/Q in entry = 11 Start of MODEL 18 1 H LEU 65 H LEU 65 -2.970 -24.354 -6.788 2 HA LEU 65 HA LEU 65 -0.190 -24.624 -7.461 3 HB2 LEU 65 1HB LEU 65 0.349 -26.668 -6.662 4 HB3 LEU 65 2HB LEU 65 -0.490 -25.947 -5.285 5 HG LEU 65 HG LEU 65 -1.628 -27.901 -7.290 6 HD13 LEU 65 HD11 LEU 65 -1.538 -29.538 -5.435 7 HD12 LEU 65 HD12 LEU 65 -0.821 -28.306 -4.377 8 HD11 LEU 65 HD13 LEU 65 0.072 -28.884 -5.796 9 HD21 LEU 65 HD21 LEU 65 -2.850 -26.764 -4.727 10 HD23 LEU 65 HD22 LEU 65 -3.521 -28.134 -5.637 11 HD22 LEU 65 HD23 LEU 65 -3.462 -26.532 -6.380 No H/Q in entry = 11 Start of MODEL 18 1 H TYR 66 H TYR 66 0.211 -26.093 -9.207 2 HA TYR 66 HA TYR 66 -2.157 -26.448 -11.001 3 HB2 TYR 66 1HB TYR 66 0.458 -25.045 -11.626 4 HB3 TYR 66 2HB TYR 66 -0.770 -25.497 -12.802 5 HD1 TYR 66 HD1 TYR 66 -2.921 -24.334 -12.909 6 HD2 TYR 66 HD2 TYR 66 -0.007 -23.221 -9.950 7 HE1 TYR 66 HE1 TYR 66 -4.060 -22.162 -12.631 8 HE2 TYR 66 HE2 TYR 66 -1.226 -21.083 -9.587 9 HH TYR 66 HH TYR 66 -4.033 -20.112 -11.568 No H/Q in entry = 9 Start of MODEL 18 1 H TYR 67 H TYR 67 -2.196 -28.583 -10.924 2 HA TYR 67 HA TYR 67 0.276 -30.172 -11.073 3 HB2 TYR 67 1HB TYR 67 -1.023 -31.898 -10.003 4 HB3 TYR 67 2HB TYR 67 -0.912 -30.401 -9.096 5 HD1 TYR 67 HD1 TYR 67 -3.148 -32.884 -10.473 6 HD2 TYR 67 HD2 TYR 67 -2.919 -28.895 -8.859 7 HE1 TYR 67 HE1 TYR 67 -5.580 -32.920 -10.034 8 HE2 TYR 67 HE2 TYR 67 -5.327 -28.984 -8.308 9 HH TYR 67 HH TYR 67 -7.294 -30.159 -8.516 No H/Q in entry = 9 Start of MODEL 18 1 H THR 68 H THR 68 0.642 -30.384 -13.324 2 HA THR 68 HA THR 68 -1.424 -31.616 -15.025 3 HB THR 68 HB THR 68 0.067 -29.976 -15.995 4 HG1 THR 68 HG1 THR 68 -0.750 -31.669 -17.236 5 HG21 THR 68 HG21 THR 68 2.168 -30.385 -14.694 6 HG23 THR 68 HG22 THR 68 2.460 -30.495 -16.434 7 HG22 THR 68 HG23 THR 68 2.336 -31.967 -15.481 No H/Q in entry = 7 Start of MODEL 18 1 H GLU 69 H GLU 69 -1.396 -33.750 -15.740 2 HA GLU 69 HA GLU 69 0.290 -35.683 -14.254 3 HB2 GLU 69 1HB GLU 69 -2.192 -35.994 -14.551 4 HB3 GLU 69 2HB GLU 69 -1.919 -36.264 -16.268 5 HG2 GLU 69 1HG GLU 69 -0.605 -37.844 -13.996 6 HG3 GLU 69 2HG GLU 69 -2.058 -38.357 -14.860 No H/Q in entry = 6 Start of MODEL 18 1 H PHE 70 H PHE 70 2.307 -35.181 -15.160 2 HA PHE 70 HA PHE 70 2.640 -35.334 -18.089 3 HB2 PHE 70 1HB PHE 70 4.756 -34.460 -17.754 4 HB3 PHE 70 2HB PHE 70 3.615 -33.490 -16.843 5 HD1 PHE 70 HD1 PHE 70 3.665 -33.485 -14.354 6 HD2 PHE 70 HD2 PHE 70 6.473 -35.822 -16.629 7 HE1 PHE 70 HE1 PHE 70 5.171 -33.624 -12.379 8 HE2 PHE 70 HE2 PHE 70 7.980 -35.921 -14.661 9 HZ PHE 70 HZ PHE 70 7.308 -34.825 -12.532 No H/Q in entry = 9 Start of MODEL 18 1 H THR 71 H THR 71 3.852 -36.946 -19.106 2 HA THR 71 HA THR 71 4.466 -39.386 -17.560 3 HB THR 71 HB THR 71 4.256 -38.990 -20.536 4 HG1 THR 71 HG1 THR 71 2.410 -39.858 -18.570 5 HG23 THR 71 HG21 THR 71 4.003 -41.439 -20.527 6 HG22 THR 71 HG22 THR 71 4.209 -41.484 -18.765 7 HG21 THR 71 HG23 THR 71 5.566 -41.011 -19.811 No H/Q in entry = 7 Start of MODEL 18 1 HA PRO 72 HA PRO 72 8.832 -37.872 -18.351 2 HB2 PRO 72 1HB PRO 72 10.020 -38.927 -16.155 3 HB3 PRO 72 2HB PRO 72 9.055 -37.431 -16.092 4 HG2 PRO 72 1HG PRO 72 8.154 -40.225 -15.349 5 HG3 PRO 72 2HG PRO 72 7.926 -38.712 -14.434 6 HD2 PRO 72 1HD PRO 72 6.003 -39.762 -16.101 7 HD3 PRO 72 2HD PRO 72 6.200 -38.016 -15.837 No H/Q in entry = 7 Start of MODEL 18 1 H THR 73 H THR 73 9.445 -39.125 -20.100 2 HA THR 73 HA THR 73 9.486 -42.054 -19.959 3 HB THR 73 HB THR 73 10.514 -41.948 -22.169 4 HG1 THR 73 HG1 THR 73 11.636 -40.037 -22.122 5 HG21 THR 73 HG21 THR 73 8.033 -41.907 -21.917 6 HG23 THR 73 HG22 THR 73 8.603 -41.089 -23.384 7 HG22 THR 73 HG23 THR 73 8.077 -40.130 -21.988 No H/Q in entry = 7 Start of MODEL 18 1 H GLU 74 H GLU 74 11.999 -39.515 -20.432 2 HA GLU 74 HA GLU 74 13.523 -40.407 -18.211 3 HB2 GLU 74 1HB GLU 74 14.177 -42.272 -19.668 4 HB3 GLU 74 2HB GLU 74 14.674 -41.159 -20.944 5 HG2 GLU 74 1HG GLU 74 16.486 -40.305 -19.528 6 HG3 GLU 74 2HG GLU 74 15.858 -41.186 -18.130 No H/Q in entry = 6 Start of MODEL 18 1 H LYS 75 H LYS 75 14.588 -39.096 -21.378 2 HA LYS 75 HA LYS 75 16.023 -37.025 -19.905 3 HB2 LYS 75 1HB LYS 75 16.915 -38.618 -21.713 4 HB3 LYS 75 2HB LYS 75 16.097 -37.575 -22.884 5 HG2 LYS 75 1HG LYS 75 17.435 -35.620 -21.886 6 HG3 LYS 75 2HG LYS 75 18.271 -36.814 -20.874 7 HD2 LYS 75 1HD LYS 75 18.975 -38.023 -22.959 8 HD3 LYS 75 2HD LYS 75 18.195 -36.748 -23.922 9 HE2 LYS 75 1HE LYS 75 19.693 -35.061 -22.829 10 HE3 LYS 75 2HE LYS 75 20.499 -36.378 -21.953 11 HZ1 LYS 75 1HZ LYS 75 20.359 -36.124 -24.873 12 HZ3 LYS 75 2HZ LYS 75 21.153 -37.300 -24.034 13 HZ2 LYS 75 3HZ LYS 75 21.664 -35.734 -23.943 No H/Q in entry = 13 Start of MODEL 18 1 H ASP 76 H ASP 76 13.344 -36.470 -19.720 2 HA ASP 76 HA ASP 76 12.666 -34.425 -21.738 3 HB2 ASP 76 1HB ASP 76 11.120 -35.466 -19.361 4 HB3 ASP 76 2HB ASP 76 10.466 -34.497 -20.696 No H/Q in entry = 4 Start of MODEL 18 1 H GLU 77 H GLU 77 11.408 -32.472 -20.623 2 HA GLU 77 HA GLU 77 12.516 -31.686 -18.038 3 HB2 GLU 77 1HB GLU 77 13.409 -29.615 -18.623 4 HB3 GLU 77 2HB GLU 77 14.078 -30.767 -19.761 5 HG2 GLU 77 1HG GLU 77 13.619 -28.965 -21.116 6 HG3 GLU 77 2HG GLU 77 12.215 -29.994 -21.400 No H/Q in entry = 6 Start of MODEL 18 1 H TYR 78 H TYR 78 10.807 -31.278 -16.849 2 HA TYR 78 HA TYR 78 8.320 -30.158 -18.007 3 HB2 TYR 78 1HB TYR 78 8.934 -31.423 -15.336 4 HB3 TYR 78 2HB TYR 78 7.350 -30.875 -15.884 5 HD1 TYR 78 HD1 TYR 78 9.888 -33.508 -16.161 6 HD2 TYR 78 HD2 TYR 78 6.307 -31.926 -17.945 7 HE1 TYR 78 HE1 TYR 78 9.718 -35.516 -17.587 8 HE2 TYR 78 HE2 TYR 78 6.268 -33.844 -19.530 9 HH TYR 78 HH TYR 78 7.328 -35.734 -20.261 No H/Q in entry = 9 Start of MODEL 18 1 H ALA 79 H ALA 79 7.753 -28.000 -17.558 2 HA ALA 79 HA ALA 79 9.234 -26.570 -15.432 3 HB1 ALA 79 1HB ALA 79 10.642 -26.342 -17.424 4 HB3 ALA 79 2HB ALA 79 9.250 -25.762 -18.370 5 HB2 ALA 79 3HB ALA 79 9.874 -24.796 -17.014 No H/Q in entry = 5 Start of MODEL 18 1 H CYS 80 H CYS 80 8.076 -25.182 -14.354 2 HA CYS 80 HA CYS 80 5.333 -24.578 -15.192 3 HB2 CYS 80 1HB CYS 80 5.910 -25.356 -12.907 4 HB3 CYS 80 2HB CYS 80 6.780 -23.839 -12.640 No H/Q in entry = 4 Start of MODEL 18 1 H ARG 81 H ARG 81 4.781 -22.734 -16.199 2 HA ARG 81 HA ARG 81 6.862 -20.720 -16.767 3 HB2 ARG 81 1HB ARG 81 5.691 -21.936 -18.570 4 HB3 ARG 81 2HB ARG 81 4.160 -21.239 -18.026 5 HG2 ARG 81 1HG ARG 81 5.207 -18.938 -18.397 6 HG3 ARG 81 2HG ARG 81 6.593 -19.772 -19.128 7 HD2 ARG 81 1HD ARG 81 5.187 -20.681 -20.886 8 HD3 ARG 81 2HD ARG 81 3.733 -20.152 -20.045 9 HE ARG 81 HE ARG 81 5.748 -18.177 -20.992 10 HH12 ARG 81 HH11 ARG 81 1.833 -17.940 -22.040 11 HH11 ARG 81 HH12 ARG 81 2.394 -19.402 -21.277 12 HH21 ARG 81 HH21 ARG 81 4.952 -16.310 -21.987 13 HH22 ARG 81 HH22 ARG 81 3.278 -16.215 -22.478 No H/Q in entry = 13 Start of MODEL 18 1 H VAL 82 H VAL 82 6.689 -19.648 -14.651 2 HA VAL 82 HA VAL 82 4.026 -18.854 -13.734 3 HB VAL 82 HB VAL 82 6.752 -18.481 -12.447 4 HG12 VAL 82 HG11 VAL 82 5.383 -18.216 -10.383 5 HG13 VAL 82 HG12 VAL 82 5.023 -16.932 -11.549 6 HG11 VAL 82 HG13 VAL 82 3.901 -18.294 -11.358 7 HG22 VAL 82 HG21 VAL 82 6.224 -20.875 -12.768 8 HG23 VAL 82 HG22 VAL 82 6.000 -20.439 -11.073 9 HG21 VAL 82 HG23 VAL 82 4.586 -20.605 -12.128 No H/Q in entry = 9 Start of MODEL 18 1 H ASN 83 H ASN 83 3.381 -17.406 -15.334 2 HA ASN 83 HA ASN 83 4.676 -14.742 -15.342 3 HB2 ASN 83 1HB ASN 83 2.442 -15.997 -16.958 4 HB3 ASN 83 2HB ASN 83 2.666 -14.248 -16.892 5 HD21 ASN 83 HD21 ASN 83 4.797 -13.382 -17.586 6 HD22 ASN 83 HD22 ASN 83 5.623 -14.215 -18.885 No H/Q in entry = 6 Start of MODEL 18 1 H HIS 84 H HIS 84 3.561 -12.961 -14.571 2 HA HIS 84 HA HIS 84 1.051 -13.150 -13.099 3 HB2 HIS 84 1HB HIS 84 2.726 -14.005 -11.461 4 HB3 HIS 84 2HB HIS 84 3.690 -12.551 -11.690 5 HD2 HIS 84 HD2 HIS 84 0.046 -13.399 -10.320 6 HE1 HIS 84 HE1 HIS 84 1.642 -10.117 -8.202 7 HE2 HIS 84 HE2 HIS 84 -0.355 -11.702 -8.383 No H/Q in entry = 7 Start of MODEL 18 1 H VAL 85 H VAL 85 0.588 -10.801 -12.233 2 HA VAL 85 HA VAL 85 1.039 -8.985 -14.365 3 HB VAL 85 HB VAL 85 -0.901 -8.912 -12.875 4 HG12 VAL 85 HG11 VAL 85 -0.774 -7.727 -10.730 5 HG13 VAL 85 HG12 VAL 85 0.141 -9.247 -10.687 6 HG11 VAL 85 HG13 VAL 85 0.995 -7.689 -10.819 7 HG22 VAL 85 HG21 VAL 85 -1.130 -6.506 -12.843 8 HG23 VAL 85 HG22 VAL 85 0.628 -6.279 -12.933 9 HG21 VAL 85 HG23 VAL 85 -0.255 -6.984 -14.308 No H/Q in entry = 9 Start of MODEL 18 1 H THR 86 H THR 86 2.891 -9.600 -11.383 2 HA THR 86 HA THR 86 4.737 -7.384 -11.847 3 HB THR 86 HB THR 86 6.101 -8.389 -10.127 4 HG1 THR 86 HG1 THR 86 4.223 -10.507 -10.143 5 HG23 THR 86 HG21 THR 86 4.566 -8.250 -8.247 6 HG22 THR 86 HG22 THR 86 3.167 -8.478 -9.315 7 HG21 THR 86 HG23 THR 86 4.156 -7.008 -9.457 No H/Q in entry = 7 Start of MODEL 18 1 H LEU 87 H LEU 87 4.877 -10.965 -12.190 2 HA LEU 87 HA LEU 87 7.339 -10.846 -13.763 3 HB2 LEU 87 1HB LEU 87 5.566 -13.240 -13.214 4 HB3 LEU 87 2HB LEU 87 7.242 -13.237 -13.763 5 HG LEU 87 HG LEU 87 6.244 -12.312 -11.025 6 HD12 LEU 87 HD11 LEU 87 7.770 -14.809 -11.850 7 HD11 LEU 87 HD12 LEU 87 6.066 -14.733 -11.347 8 HD13 LEU 87 HD13 LEU 87 7.348 -14.336 -10.189 9 HD23 LEU 87 HD21 LEU 87 8.658 -12.280 -10.420 10 HD22 LEU 87 HD22 LEU 87 8.278 -11.072 -11.653 11 HD21 LEU 87 HD23 LEU 87 9.080 -12.591 -12.117 No H/Q in entry = 11 Start of MODEL 18 1 H SER 88 H SER 88 6.201 -9.352 -15.350 2 HA SER 88 HA SER 88 4.435 -10.379 -17.342 3 HB2 SER 88 1HB SER 88 5.006 -7.994 -17.121 4 HB3 SER 88 2HB SER 88 6.686 -8.338 -17.586 5 HG SER 88 HG SER 88 5.350 -7.633 -19.332 No H/Q in entry = 5 Start of MODEL 18 1 H GLN 89 H GLN 89 7.807 -11.041 -16.598 2 HA GLN 89 HA GLN 89 8.341 -12.279 -19.188 3 HB2 GLN 89 1HB GLN 89 10.550 -12.661 -18.375 4 HB3 GLN 89 2HB GLN 89 10.064 -10.991 -18.044 5 HG2 GLN 89 1HG GLN 89 9.588 -11.663 -15.656 6 HG3 GLN 89 2HG GLN 89 10.180 -13.293 -16.036 7 HE21 GLN 89 HE21 GLN 89 11.556 -12.511 -14.084 8 HE22 GLN 89 HE22 GLN 89 13.095 -11.791 -14.511 No H/Q in entry = 8 Start of MODEL 18 1 HA PRO 90 HA PRO 90 6.920 -16.274 -17.621 2 HB2 PRO 90 1HB PRO 90 8.014 -17.961 -19.457 3 HB3 PRO 90 2HB PRO 90 6.705 -16.812 -19.863 4 HG2 PRO 90 1HG PRO 90 9.676 -16.437 -20.317 5 HG3 PRO 90 2HG PRO 90 8.350 -16.209 -21.489 6 HD2 PRO 90 1HD PRO 90 9.419 -14.135 -20.074 7 HD3 PRO 90 2HD PRO 90 7.671 -14.193 -20.457 No H/Q in entry = 7 Start of MODEL 18 1 H LYS 91 H LYS 91 7.878 -16.649 -15.625 2 HA LYS 91 HA LYS 91 10.771 -17.084 -15.436 3 HB2 LYS 91 1HB LYS 91 9.323 -15.856 -13.743 4 HB3 LYS 91 2HB LYS 91 8.747 -17.434 -13.210 5 HG2 LYS 91 1HG LYS 91 11.618 -16.381 -13.236 6 HG3 LYS 91 2HG LYS 91 10.591 -16.650 -11.821 7 HD2 LYS 91 1HD LYS 91 10.590 -19.106 -12.337 8 HD3 LYS 91 2HD LYS 91 11.751 -18.795 -13.652 9 HE2 LYS 91 1HE LYS 91 13.367 -17.868 -12.076 10 HE3 LYS 91 2HE LYS 91 12.247 -18.152 -10.728 11 HZ1 LYS 91 1HZ LYS 91 13.370 -20.222 -12.484 12 HZ3 LYS 91 2HZ LYS 91 12.342 -20.481 -11.223 13 HZ2 LYS 91 3HZ LYS 91 13.857 -19.896 -10.942 No H/Q in entry = 13 Start of MODEL 18 1 H ILE 92 H ILE 92 11.195 -18.888 -16.625 2 HA ILE 92 HA ILE 92 9.764 -21.383 -16.513 3 HB ILE 92 HB ILE 92 12.619 -20.762 -17.385 4 HG13 ILE 92 HG12 ILE 92 11.706 -20.739 -19.702 5 HG21 ILE 92 HG21 ILE 92 12.212 -23.185 -17.046 6 HG22 ILE 92 HG22 ILE 92 10.838 -23.099 -18.161 7 HG23 ILE 92 HG23 ILE 92 12.479 -22.776 -18.742 8 HD12 ILE 92 HD11 ILE 92 8.998 -20.261 -18.379 9 HD13 ILE 92 HD12 ILE 92 9.385 -20.164 -20.101 10 HD11 ILE 92 HD13 ILE 92 9.429 -21.732 -19.283 11 HG12 ILE 92 HG11 ILE 92 11.261 -19.352 -18.721 No H/Q in entry = 11 Start of MODEL 18 1 H VAL 93 H VAL 93 9.530 -22.155 -14.415 2 HA VAL 93 HA VAL 93 11.871 -22.431 -12.665 3 HB VAL 93 HB VAL 93 9.119 -23.698 -12.329 4 HG11 VAL 93 HG11 VAL 93 11.532 -23.200 -10.523 5 HG12 VAL 93 HG12 VAL 93 9.943 -23.609 -9.889 6 HG13 VAL 93 HG13 VAL 93 10.790 -24.762 -10.930 7 HG23 VAL 93 HG21 VAL 93 10.100 -21.090 -11.164 8 HG21 VAL 93 HG22 VAL 93 8.876 -21.231 -12.449 9 HG22 VAL 93 HG23 VAL 93 8.547 -21.909 -10.854 No H/Q in entry = 9 Start of MODEL 18 1 H LYS 94 H LYS 94 13.068 -24.298 -12.457 2 HA LYS 94 HA LYS 94 12.591 -26.476 -14.440 3 HB2 LYS 94 1HB LYS 94 15.053 -25.724 -12.821 4 HB3 LYS 94 2HB LYS 94 14.926 -27.048 -13.995 5 HG2 LYS 94 1HG LYS 94 14.342 -25.384 -15.768 6 HG3 LYS 94 2HG LYS 94 14.574 -24.071 -14.595 7 HD2 LYS 94 1HD LYS 94 16.926 -24.835 -14.241 8 HD3 LYS 94 2HD LYS 94 16.704 -26.052 -15.510 9 HE2 LYS 94 1HE LYS 94 16.448 -23.026 -15.871 10 HE3 LYS 94 2HE LYS 94 17.847 -24.008 -16.335 11 HZ2 LYS 94 1HZ LYS 94 15.144 -24.267 -17.445 12 HZ1 LYS 94 2HZ LYS 94 16.443 -25.199 -17.851 13 HZ3 LYS 94 3HZ LYS 94 16.447 -23.586 -18.189 No H/Q in entry = 13 Start of MODEL 18 1 H TRP 95 H TRP 95 11.194 -27.911 -13.533 2 HA TRP 95 HA TRP 95 10.675 -28.525 -10.907 3 HB2 TRP 95 1HB TRP 95 9.315 -29.418 -12.691 4 HB3 TRP 95 2HB TRP 95 10.702 -30.231 -13.403 5 HD1 TRP 95 HD1 TRP 95 9.296 -30.486 -9.788 6 HE1 TRP 95 HE1 TRP 95 9.045 -32.983 -9.204 7 HE3 TRP 95 HE3 TRP 95 10.804 -32.506 -14.213 8 HZ2 TRP 95 HZ2 TRP 95 9.410 -35.523 -10.512 9 HZ3 TRP 95 HZ3 TRP 95 10.814 -34.981 -14.536 10 HH2 TRP 95 HH2 TRP 95 10.058 -36.480 -12.713 No H/Q in entry = 10 Start of MODEL 18 1 H ASP 96 H ASP 96 11.991 -29.189 -9.331 2 HA ASP 96 HA ASP 96 14.646 -30.237 -9.907 3 HB2 ASP 96 1HB ASP 96 15.017 -29.860 -7.493 4 HB3 ASP 96 2HB ASP 96 14.489 -28.437 -8.390 No H/Q in entry = 4 Start of MODEL 18 1 H ARG 97 H ARG 97 13.589 -32.266 -10.832 2 HA ARG 97 HA ARG 97 12.873 -34.318 -8.920 3 HB2 ARG 97 1HB ARG 97 12.723 -35.783 -10.652 4 HB3 ARG 97 2HB ARG 97 12.236 -34.239 -11.352 5 HG2 ARG 97 1HG ARG 97 14.960 -35.537 -11.763 6 HG3 ARG 97 2HG ARG 97 13.572 -35.686 -12.839 7 HD2 ARG 97 1HD ARG 97 13.528 -33.237 -13.181 8 HD3 ARG 97 2HD ARG 97 14.986 -33.083 -12.174 9 HE ARG 97 HE ARG 97 15.549 -34.995 -14.148 10 HH12 ARG 97 HH11 ARG 97 15.855 -31.112 -15.308 11 HH11 ARG 97 HH12 ARG 97 14.851 -31.522 -13.938 12 HH21 ARG 97 HH21 ARG 97 16.852 -34.454 -15.927 13 HH22 ARG 97 HH22 ARG 97 17.002 -32.793 -16.451 No H/Q in entry = 13 Start of MODEL 18 1 H ASP 98 H ASP 98 15.899 -33.094 -10.280 2 HA ASP 98 HA ASP 98 17.529 -35.275 -9.176 3 HB2 ASP 98 1HB ASP 98 18.362 -32.628 -10.427 4 HB3 ASP 98 2HB ASP 98 19.387 -34.041 -10.127 No H/Q in entry = 4 Start of MODEL 18 1 H MET 99 H MET 99 16.202 -34.588 -7.090 2 HA MET 99 HA MET 99 17.074 -32.225 -5.684 3 HB2 MET 99 1HB MET 99 14.830 -33.209 -5.449 4 HB3 MET 99 2HB MET 99 15.533 -34.687 -4.772 5 HG2 MET 99 1HG MET 99 16.386 -33.400 -2.837 6 HG3 MET 99 2HG MET 99 15.787 -31.902 -3.561 7 HE3 MET 99 1HE MET 99 13.968 -35.511 -3.186 8 HE1 MET 99 2HE MET 99 15.006 -35.207 -1.770 9 HE2 MET 99 3HE MET 99 13.237 -35.211 -1.596 No H/Q in entry = 9 Start of MODEL 19 1 H1 MET 0 3H MET 0 -1.521 -1.523 0.197 2 H2 MET 0 1H MET 0 -3.084 -2.008 -0.030 3 H3 MET 0 2H MET 0 -2.072 -2.890 0.930 4 HA MET 0 HA MET 0 -2.359 -3.991 -1.105 5 HB2 MET 0 1HB MET 0 -1.679 -2.999 -3.219 6 HB3 MET 0 2HB MET 0 -2.940 -2.026 -2.455 7 HG2 MET 0 1HG MET 0 -1.223 -0.426 -1.652 8 HG3 MET 0 2HG MET 0 0.046 -1.403 -2.406 9 HE1 MET 0 1HE MET 0 -0.295 1.707 -2.827 10 HE2 MET 0 2HE MET 0 0.989 0.734 -3.583 11 HE3 MET 0 3HE MET 0 0.000 1.830 -4.576 No H/Q in entry = 11 Start of MODEL 19 1 H ILE 1 H ILE 1 -0.587 -5.003 -2.362 2 HA ILE 1 HA ILE 1 2.134 -4.341 -1.804 3 HB ILE 1 HB ILE 1 1.638 -5.430 0.344 4 HG13 ILE 1 HG12 ILE 1 3.320 -7.207 -1.476 5 HG21 ILE 1 HG21 ILE 1 -0.293 -6.850 -0.424 6 HG22 ILE 1 HG22 ILE 1 0.885 -7.951 -1.177 7 HG23 ILE 1 HG23 ILE 1 0.892 -7.699 0.573 8 HD11 ILE 1 HD11 ILE 1 4.073 -4.961 0.450 9 HD12 ILE 1 HD12 ILE 1 5.213 -6.050 -0.364 10 HD13 ILE 1 HD13 ILE 1 4.249 -4.919 -1.321 11 HG12 ILE 1 HG11 ILE 1 3.262 -7.311 0.285 No H/Q in entry = 11 Start of MODEL 19 1 H GLN 2 H GLN 2 3.307 -5.000 -3.536 2 HA GLN 2 HA GLN 2 1.983 -6.688 -5.564 3 HB2 GLN 2 1HB GLN 2 4.520 -5.016 -5.687 4 HB3 GLN 2 2HB GLN 2 3.718 -5.812 -7.048 5 HG2 GLN 2 1HG GLN 2 2.642 -3.516 -5.359 6 HG3 GLN 2 2HG GLN 2 3.124 -3.467 -7.056 7 HE21 GLN 2 HE21 GLN 2 1.852 -4.949 -8.577 8 HE22 GLN 2 HE22 GLN 2 0.140 -5.129 -8.267 No H/Q in entry = 8 Start of MODEL 19 1 H ARG 3 H ARG 3 2.358 -8.374 -3.711 2 HA ARG 3 HA ARG 3 4.987 -9.453 -3.397 3 HB2 ARG 3 1HB ARG 3 2.930 -9.530 -1.831 4 HB3 ARG 3 2HB ARG 3 2.385 -10.895 -2.809 5 HG2 ARG 3 1HG ARG 3 4.612 -12.022 -2.315 6 HG3 ARG 3 2HG ARG 3 5.002 -10.664 -1.246 7 HD2 ARG 3 1HD ARG 3 2.641 -12.571 -0.955 8 HD3 ARG 3 2HD ARG 3 4.119 -12.574 0.026 9 HE ARG 3 HE ARG 3 3.019 -10.000 0.235 10 HH12 ARG 3 HH11 ARG 3 1.108 -12.812 2.457 11 HH11 ARG 3 HH12 ARG 3 2.113 -13.322 1.122 12 HH21 ARG 3 HH21 ARG 3 1.651 -9.363 1.958 13 HH22 ARG 3 HH22 ARG 3 0.831 -10.571 2.919 No H/Q in entry = 13 Start of MODEL 19 1 H THR 4 H THR 4 5.977 -11.142 -4.431 2 HA THR 4 HA THR 4 4.924 -11.888 -7.050 3 HB THR 4 HB THR 4 7.280 -12.771 -7.324 4 HG1 THR 4 HG1 THR 4 8.729 -12.293 -5.669 5 HG23 THR 4 HG21 THR 4 8.393 -10.593 -7.325 6 HG22 THR 4 HG22 THR 4 7.112 -9.894 -6.317 7 HG21 THR 4 HG23 THR 4 6.749 -10.443 -7.969 No H/Q in entry = 7 Start of MODEL 19 1 HA PRO 5 HA PRO 5 3.912 -16.117 -5.958 2 HB2 PRO 5 1HB PRO 5 4.622 -17.502 -8.234 3 HB3 PRO 5 2HB PRO 5 3.177 -16.469 -8.113 4 HG2 PRO 5 1HG PRO 5 5.878 -15.733 -9.255 5 HG3 PRO 5 2HG PRO 5 4.259 -15.431 -9.960 6 HD2 PRO 5 1HD PRO 5 5.558 -13.492 -8.627 7 HD3 PRO 5 2HD PRO 5 3.801 -13.714 -8.405 No H/Q in entry = 7 Start of MODEL 19 1 H LYS 6 H LYS 6 5.024 -17.462 -4.646 2 HA LYS 6 HA LYS 6 7.945 -17.573 -4.705 3 HB2 LYS 6 1HB LYS 6 6.440 -17.289 -2.612 4 HB3 LYS 6 2HB LYS 6 6.019 -18.990 -2.841 5 HG2 LYS 6 1HG LYS 6 7.721 -18.947 -1.223 6 HG3 LYS 6 2HG LYS 6 8.524 -19.511 -2.693 7 HD2 LYS 6 1HD LYS 6 9.386 -17.181 -3.081 8 HD3 LYS 6 2HD LYS 6 8.567 -16.645 -1.607 9 HE2 LYS 6 1HE LYS 6 10.752 -18.775 -1.745 10 HE3 LYS 6 2HE LYS 6 11.001 -17.077 -1.304 11 HZ1 LYS 6 1HZ LYS 6 9.507 -17.403 0.535 12 HZ3 LYS 6 2HZ LYS 6 10.804 -18.418 0.623 13 HZ2 LYS 6 3HZ LYS 6 9.335 -18.998 0.155 No H/Q in entry = 13 Start of MODEL 19 1 H ILE 7 H ILE 7 9.106 -19.541 -4.997 2 HA ILE 7 HA ILE 7 7.770 -21.278 -6.964 3 HB ILE 7 HB ILE 7 10.717 -20.894 -6.315 4 HG13 ILE 7 HG12 ILE 7 8.855 -19.515 -8.278 5 HG21 ILE 7 HG21 ILE 7 9.293 -22.268 -8.619 6 HG22 ILE 7 HG22 ILE 7 11.048 -22.008 -8.508 7 HG23 ILE 7 HG23 ILE 7 10.247 -23.081 -7.362 8 HD13 ILE 7 HD11 ILE 7 9.653 -18.118 -6.371 9 HD11 ILE 7 HD12 ILE 7 11.328 -18.605 -6.714 10 HD12 ILE 7 HD13 ILE 7 10.427 -17.606 -7.866 11 HG12 ILE 7 HG11 ILE 7 10.534 -19.820 -8.723 No H/Q in entry = 11 Start of MODEL 19 1 H GLN 8 H GLN 8 7.001 -23.212 -6.332 2 HA GLN 8 HA GLN 8 8.714 -25.057 -4.812 3 HB2 GLN 8 1HB GLN 8 5.860 -24.416 -3.962 4 HB3 GLN 8 2HB GLN 8 6.842 -25.758 -3.362 5 HG2 GLN 8 1HG GLN 8 8.473 -24.133 -2.433 6 HG3 GLN 8 2HG GLN 8 7.436 -22.794 -2.967 7 HE21 GLN 8 HE21 GLN 8 5.242 -22.603 -2.063 8 HE22 GLN 8 HE22 GLN 8 4.932 -23.241 -0.462 No H/Q in entry = 8 Start of MODEL 19 1 H VAL 9 H VAL 9 8.821 -25.696 -7.148 2 HA VAL 9 HA VAL 9 6.408 -27.028 -8.226 3 HB VAL 9 HB VAL 9 9.057 -26.435 -9.485 4 HG11 VAL 9 HG11 VAL 9 6.389 -27.301 -10.694 5 HG12 VAL 9 HG12 VAL 9 7.823 -26.805 -11.619 6 HG13 VAL 9 HG13 VAL 9 7.877 -28.271 -10.641 7 HG23 VAL 9 HG21 VAL 9 7.719 -24.645 -10.678 8 HG21 VAL 9 HG22 VAL 9 6.391 -24.968 -9.555 9 HG22 VAL 9 HG23 VAL 9 7.924 -24.332 -8.944 No H/Q in entry = 9 Start of MODEL 19 1 H TYR 10 H TYR 10 6.455 -28.835 -6.826 2 HA TYR 10 HA TYR 10 8.645 -30.819 -7.158 3 HB2 TYR 10 1HB TYR 10 7.829 -31.884 -5.243 4 HB3 TYR 10 2HB TYR 10 8.093 -30.179 -4.949 5 HD1 TYR 10 HD1 TYR 10 5.686 -32.910 -4.905 6 HD2 TYR 10 HD2 TYR 10 6.108 -28.624 -4.654 7 HE1 TYR 10 HE1 TYR 10 3.472 -32.753 -3.817 8 HE2 TYR 10 HE2 TYR 10 3.873 -28.469 -3.599 9 HH TYR 10 HH TYR 10 2.013 -29.615 -2.876 No H/Q in entry = 9 Start of MODEL 19 1 H SER 11 H SER 11 8.184 -32.995 -7.761 2 HA SER 11 HA SER 11 5.648 -33.512 -9.210 3 HB2 SER 11 1HB SER 11 7.489 -34.066 -10.458 4 HB3 SER 11 2HB SER 11 8.262 -34.990 -9.156 5 HG SER 11 HG SER 11 6.605 -36.506 -9.339 No H/Q in entry = 5 Start of MODEL 19 1 H ARG 12 H ARG 12 4.156 -34.934 -8.518 2 HA ARG 12 HA ARG 12 3.905 -35.562 -5.788 3 HB2 ARG 12 1HB ARG 12 2.025 -35.158 -7.478 4 HB3 ARG 12 2HB ARG 12 2.364 -36.736 -8.149 5 HG2 ARG 12 1HG ARG 12 0.459 -36.829 -6.660 6 HG3 ARG 12 2HG ARG 12 1.776 -37.805 -6.005 7 HD2 ARG 12 1HD ARG 12 0.606 -36.535 -4.266 8 HD3 ARG 12 2HD ARG 12 2.300 -36.050 -4.357 9 HE ARG 12 HE ARG 12 0.744 -34.303 -5.997 10 HH12 ARG 12 HH11 ARG 12 0.767 -33.505 -2.010 11 HH11 ARG 12 HH12 ARG 12 1.275 -35.079 -2.570 12 HH21 ARG 12 HH21 ARG 12 0.089 -32.233 -5.227 13 HH22 ARG 12 HH22 ARG 12 0.100 -31.891 -3.513 No H/Q in entry = 13 Start of MODEL 19 1 H HIS 13 H HIS 13 4.246 -37.762 -8.613 2 HA HIS 13 HA HIS 13 4.979 -40.032 -6.896 3 HB2 HIS 13 1HB HIS 13 4.580 -39.767 -9.901 4 HB3 HIS 13 2HB HIS 13 4.804 -41.289 -9.046 5 HD1 HIS 13 HD1 HIS 13 2.791 -42.165 -7.581 6 HD2 HIS 13 HD2 HIS 13 2.024 -38.642 -9.705 7 HE1 HIS 13 HE1 HIS 13 0.282 -41.757 -7.489 No H/Q in entry = 7 Start of MODEL 19 1 HA PRO 14 HA PRO 14 9.357 -39.636 -7.907 2 HB2 PRO 14 1HB PRO 14 10.225 -42.226 -7.899 3 HB3 PRO 14 2HB PRO 14 9.737 -41.354 -6.417 4 HG2 PRO 14 1HG PRO 14 8.050 -43.246 -8.075 5 HG3 PRO 14 2HG PRO 14 8.298 -43.263 -6.304 6 HD2 PRO 14 1HD PRO 14 6.120 -42.096 -7.419 7 HD3 PRO 14 2HD PRO 14 6.920 -41.355 -6.007 No H/Q in entry = 7 Start of MODEL 19 1 H ALA 15 H ALA 15 10.549 -39.524 -9.793 2 HA ALA 15 HA ALA 15 9.357 -40.642 -12.298 3 HB3 ALA 15 1HB ALA 15 10.509 -38.804 -13.416 4 HB1 ALA 15 2HB ALA 15 9.446 -38.176 -12.145 5 HB2 ALA 15 3HB ALA 15 11.203 -38.262 -11.875 No H/Q in entry = 5 Start of MODEL 19 1 H GLU 16 H GLU 16 10.662 -42.512 -10.881 2 HA GLU 16 HA GLU 16 13.472 -42.642 -11.408 3 HB2 GLU 16 1HB GLU 16 12.236 -43.824 -9.559 4 HB3 GLU 16 2HB GLU 16 11.528 -44.902 -10.774 5 HG2 GLU 16 1HG GLU 16 13.788 -45.693 -11.398 6 HG3 GLU 16 2HG GLU 16 14.518 -44.546 -10.260 No H/Q in entry = 6 Start of MODEL 19 1 H ASN 17 H ASN 17 10.629 -43.568 -13.064 2 HA ASN 17 HA ASN 17 12.098 -44.168 -15.562 3 HB2 ASN 17 1HB ASN 17 11.642 -46.359 -14.511 4 HB3 ASN 17 2HB ASN 17 9.929 -45.943 -14.355 5 HD21 ASN 17 HD21 ASN 17 8.564 -46.275 -16.123 6 HD22 ASN 17 HD22 ASN 17 9.114 -46.850 -17.682 No H/Q in entry = 6 Start of MODEL 19 1 H GLY 18 H GLY 18 10.770 -43.833 -17.448 2 HA3 GLY 18 1HA GLY 18 9.021 -41.601 -17.283 3 HA2 GLY 18 2HA GLY 18 9.341 -42.597 -18.706 No H/Q in entry = 3 Start of MODEL 19 1 H LYS 19 H LYS 19 6.998 -41.840 -16.275 2 HA LYS 19 HA LYS 19 5.086 -43.648 -17.537 3 HB2 LYS 19 1HB LYS 19 6.275 -44.928 -15.647 4 HB3 LYS 19 2HB LYS 19 5.447 -43.864 -14.520 5 HG2 LYS 19 1HG LYS 19 3.247 -44.631 -15.642 6 HG3 LYS 19 2HG LYS 19 4.227 -45.738 -16.615 7 HD2 LYS 19 1HD LYS 19 5.092 -46.768 -14.493 8 HD3 LYS 19 2HD LYS 19 3.997 -45.723 -13.570 9 HE2 LYS 19 1HE LYS 19 3.143 -47.781 -15.667 10 HE3 LYS 19 2HE LYS 19 3.089 -48.016 -13.911 11 HZ1 LYS 19 1HZ LYS 19 1.558 -46.195 -13.768 12 HZ3 LYS 19 2HZ LYS 19 0.977 -47.375 -14.762 13 HZ2 LYS 19 3HZ LYS 19 1.588 -45.985 -15.404 No H/Q in entry = 13 Start of MODEL 19 1 H SER 20 H SER 20 3.650 -42.869 -14.663 2 HA SER 20 HA SER 20 2.539 -40.339 -15.776 3 HB2 SER 20 1HB SER 20 1.284 -42.378 -13.901 4 HB3 SER 20 2HB SER 20 0.523 -40.911 -14.558 5 HG SER 20 HG SER 20 -0.034 -42.719 -15.781 No H/Q in entry = 5 Start of MODEL 19 1 H ASN 21 H ASN 21 3.110 -38.549 -14.696 2 HA ASN 21 HA ASN 21 3.576 -38.610 -11.754 3 HB2 ASN 21 1HB ASN 21 5.458 -37.457 -13.858 4 HB3 ASN 21 2HB ASN 21 5.571 -37.166 -12.124 5 HD21 ASN 21 HD21 ASN 21 6.659 -38.648 -10.831 6 HD22 ASN 21 HD22 ASN 21 7.267 -40.179 -11.418 No H/Q in entry = 6 Start of MODEL 19 1 H PHE 22 H PHE 22 2.318 -37.038 -10.874 2 HA PHE 22 HA PHE 22 1.308 -34.866 -12.580 3 HB2 PHE 22 1HB PHE 22 0.705 -35.712 -9.737 4 HB3 PHE 22 2HB PHE 22 0.070 -34.249 -10.475 5 HD1 PHE 22 HD1 PHE 22 -1.778 -34.288 -12.006 6 HD2 PHE 22 HD2 PHE 22 0.080 -37.978 -10.772 7 HE1 PHE 22 HE1 PHE 22 -3.686 -35.565 -12.932 8 HE2 PHE 22 HE2 PHE 22 -1.787 -39.252 -11.774 9 HZ PHE 22 HZ PHE 22 -3.698 -38.050 -12.815 No H/Q in entry = 9 Start of MODEL 19 1 H LEU 23 H LEU 23 2.112 -32.815 -12.557 2 HA LEU 23 HA LEU 23 4.388 -32.146 -10.849 3 HB2 LEU 23 1HB LEU 23 3.853 -31.347 -13.302 4 HB3 LEU 23 2HB LEU 23 2.760 -30.210 -12.521 5 HG LEU 23 HG LEU 23 4.748 -29.252 -11.279 6 HD12 LEU 23 HD11 LEU 23 7.021 -29.852 -12.178 7 HD11 LEU 23 HD12 LEU 23 6.298 -31.214 -13.042 8 HD13 LEU 23 HD13 LEU 23 6.305 -31.176 -11.264 9 HD21 LEU 23 HD21 LEU 23 3.953 -28.270 -13.374 10 HD23 LEU 23 HD22 LEU 23 5.005 -29.373 -14.295 11 HD22 LEU 23 HD23 LEU 23 5.714 -28.142 -13.231 No H/Q in entry = 11 Start of MODEL 19 1 H ASN 24 H ASN 24 4.251 -30.102 -9.461 2 HA ASN 24 HA ASN 24 1.544 -29.382 -8.489 3 HB2 ASN 24 1HB ASN 24 3.837 -30.230 -6.668 4 HB3 ASN 24 2HB ASN 24 2.263 -29.631 -6.161 5 HD21 ASN 24 HD21 ASN 24 4.140 -32.365 -7.089 6 HD22 ASN 24 HD22 ASN 24 2.869 -33.563 -7.045 No H/Q in entry = 6 Start of MODEL 19 1 H CYS 25 H CYS 25 2.148 -27.555 -9.877 2 HA CYS 25 HA CYS 25 4.422 -25.905 -8.997 3 HB2 CYS 25 1HB CYS 25 3.829 -26.055 -11.367 4 HB3 CYS 25 2HB CYS 25 2.299 -25.236 -11.051 No H/Q in entry = 4 Start of MODEL 19 1 H TYR 26 H TYR 26 3.876 -25.796 -6.854 2 HA TYR 26 HA TYR 26 1.264 -24.839 -5.980 3 HB2 TYR 26 1HB TYR 26 2.215 -26.888 -5.082 4 HB3 TYR 26 2HB TYR 26 3.680 -26.051 -4.597 5 HD1 TYR 26 HD1 TYR 26 -0.043 -25.901 -4.044 6 HD2 TYR 26 HD2 TYR 26 3.889 -25.466 -2.340 7 HE1 TYR 26 HE1 TYR 26 -1.053 -25.555 -1.812 8 HE2 TYR 26 HE2 TYR 26 2.884 -25.126 -0.107 9 HH TYR 26 HH TYR 26 0.946 -24.948 1.110 No H/Q in entry = 9 Start of MODEL 19 1 H VAL 27 H VAL 27 1.554 -22.580 -6.675 2 HA VAL 27 HA VAL 27 3.900 -21.203 -5.552 3 HB VAL 27 HB VAL 27 3.361 -19.453 -7.194 4 HG12 VAL 27 HG11 VAL 27 3.791 -22.271 -8.276 5 HG13 VAL 27 HG12 VAL 27 4.244 -20.756 -9.082 6 HG11 VAL 27 HG13 VAL 27 5.047 -21.233 -7.583 7 HG21 VAL 27 HG21 VAL 27 0.933 -19.960 -7.624 8 HG22 VAL 27 HG22 VAL 27 1.932 -19.935 -9.078 9 HG23 VAL 27 HG23 VAL 27 1.422 -21.485 -8.393 No H/Q in entry = 9 Start of MODEL 19 1 H SER 28 H SER 28 3.708 -20.126 -3.698 2 HA SER 28 HA SER 28 1.064 -19.135 -2.829 3 HB2 SER 28 1HB SER 28 2.096 -19.025 -0.632 4 HB3 SER 28 2HB SER 28 2.345 -20.626 -1.361 5 HG SER 28 HG SER 28 4.230 -18.507 -1.377 No H/Q in entry = 5 Start of MODEL 19 1 H GLY 29 H GLY 29 0.829 -17.004 -1.894 2 HA3 GLY 29 1HA GLY 29 1.355 -14.834 -1.394 3 HA2 GLY 29 2HA GLY 29 3.036 -15.210 -1.716 No H/Q in entry = 3 Start of MODEL 19 1 H PHE 30 H PHE 30 0.566 -15.615 -4.285 2 HA PHE 30 HA PHE 30 1.787 -13.356 -5.738 3 HB2 PHE 30 1HB PHE 30 0.500 -14.057 -7.631 4 HB3 PHE 30 2HB PHE 30 1.615 -15.238 -6.986 5 HD1 PHE 30 HD1 PHE 30 0.827 -17.398 -6.160 6 HD2 PHE 30 HD2 PHE 30 -1.929 -14.413 -7.603 7 HE1 PHE 30 HE1 PHE 30 -0.970 -19.120 -6.385 8 HE2 PHE 30 HE2 PHE 30 -3.748 -16.109 -7.604 9 HZ PHE 30 HZ PHE 30 -3.221 -18.473 -7.104 No H/Q in entry = 9 Start of MODEL 19 1 H HIS 31 H HIS 31 1.091 -11.505 -4.834 2 HA HIS 31 HA HIS 31 -1.800 -11.028 -4.408 3 HB2 HIS 31 1HB HIS 31 0.636 -9.442 -3.674 4 HB3 HIS 31 2HB HIS 31 -1.003 -8.792 -3.620 5 HD1 HIS 31 HD1 HIS 31 -1.801 -8.737 -1.313 6 HD2 HIS 31 HD2 HIS 31 0.228 -12.299 -2.168 7 HE1 HIS 31 HE1 HIS 31 -1.957 -10.207 0.748 No H/Q in entry = 7 Start of MODEL 19 1 HA PRO 32 HA PRO 32 -3.376 -9.457 -4.736 2 HB2 PRO 32 1HB PRO 32 -5.478 -9.012 -6.387 3 HB3 PRO 32 2HB PRO 32 -4.353 -7.739 -5.838 4 HG2 PRO 32 1HG PRO 32 -4.350 -9.177 -8.497 5 HG3 PRO 32 2HG PRO 32 -4.136 -7.439 -8.174 6 HD2 PRO 32 1HD PRO 32 -2.030 -9.220 -8.562 7 HD3 PRO 32 2HD PRO 32 -1.886 -7.732 -7.588 No H/Q in entry = 7 Start of MODEL 19 1 H SER 33 H SER 33 -3.877 -11.025 -7.960 2 HA SER 33 HA SER 33 -4.162 -13.664 -6.897 3 HB2 SER 33 1HB SER 33 -6.311 -12.667 -6.010 4 HB3 SER 33 2HB SER 33 -6.809 -12.391 -7.688 5 HG SER 33 HG SER 33 -7.563 -14.372 -6.847 No H/Q in entry = 5 Start of MODEL 19 1 H ASP 34 H ASP 34 -4.505 -11.376 -9.579 2 HA ASP 34 HA ASP 34 -5.458 -13.218 -11.523 3 HB2 ASP 34 1HB ASP 34 -5.171 -11.335 -13.052 4 HB3 ASP 34 2HB ASP 34 -6.018 -10.892 -11.570 No H/Q in entry = 4 Start of MODEL 19 1 H ILE 35 H ILE 35 -3.730 -14.860 -10.995 2 HA ILE 35 HA ILE 35 -1.148 -14.417 -12.322 3 HB ILE 35 HB ILE 35 -1.338 -15.362 -10.026 4 HG13 ILE 35 HG12 ILE 35 0.626 -15.585 -11.523 5 HG22 ILE 35 HG21 ILE 35 -2.417 -17.832 -11.484 6 HG23 ILE 35 HG22 ILE 35 -1.956 -17.767 -9.782 7 HG21 ILE 35 HG23 ILE 35 -3.323 -16.811 -10.358 8 HD11 ILE 35 HD11 ILE 35 0.790 -16.234 -9.186 9 HD12 ILE 35 HD12 ILE 35 0.272 -17.890 -9.579 10 HD13 ILE 35 HD13 ILE 35 1.795 -17.252 -10.225 11 HG12 ILE 35 HG11 ILE 35 0.072 -17.198 -11.983 No H/Q in entry = 11 Start of MODEL 19 1 H GLU 36 H GLU 36 -0.259 -15.970 -13.809 2 HA GLU 36 HA GLU 36 -2.157 -17.742 -15.281 3 HB2 GLU 36 1HB GLU 36 -0.099 -15.846 -16.407 4 HB3 GLU 36 2HB GLU 36 -0.883 -17.132 -17.347 5 HG2 GLU 36 1HG GLU 36 -3.081 -16.092 -16.966 6 HG3 GLU 36 2HG GLU 36 -2.328 -14.782 -16.038 No H/Q in entry = 6 Start of MODEL 19 1 H VAL 37 H VAL 37 -1.308 -19.329 -13.886 2 HA VAL 37 HA VAL 37 1.552 -20.031 -14.012 3 HB VAL 37 HB VAL 37 -0.710 -21.524 -12.708 4 HG11 VAL 37 HG11 VAL 37 2.302 -21.562 -12.277 5 HG12 VAL 37 HG12 VAL 37 1.131 -22.466 -11.297 6 HG13 VAL 37 HG13 VAL 37 1.347 -22.877 -13.003 7 HG21 VAL 37 HG21 VAL 37 1.114 -19.367 -11.591 8 HG22 VAL 37 HG22 VAL 37 -0.669 -19.347 -11.674 9 HG23 VAL 37 HG23 VAL 37 0.145 -20.457 -10.578 No H/Q in entry = 9 Start of MODEL 19 1 H ASP 38 H ASP 38 1.643 -20.314 -16.263 2 HA ASP 38 HA ASP 38 0.332 -22.631 -17.553 3 HB2 ASP 38 1HB ASP 38 0.639 -20.557 -18.814 4 HB3 ASP 38 2HB ASP 38 2.361 -20.554 -18.434 No H/Q in entry = 4 Start of MODEL 19 1 H LEU 39 H LEU 39 2.008 -24.109 -18.779 2 HA LEU 39 HA LEU 39 4.693 -24.031 -17.747 3 HB2 LEU 39 1HB LEU 39 5.001 -26.224 -17.094 4 HB3 LEU 39 2HB LEU 39 3.619 -25.679 -16.168 5 HG LEU 39 HG LEU 39 3.250 -27.256 -18.765 6 HD12 LEU 39 HD11 LEU 39 3.641 -28.483 -16.028 7 HD11 LEU 39 HD12 LEU 39 4.910 -28.416 -17.271 8 HD13 LEU 39 HD13 LEU 39 3.438 -29.314 -17.592 9 HD23 LEU 39 HD21 LEU 39 1.170 -27.979 -17.653 10 HD22 LEU 39 HD22 LEU 39 1.231 -26.215 -17.732 11 HD21 LEU 39 HD23 LEU 39 1.593 -27.045 -16.205 No H/Q in entry = 11 Start of MODEL 19 1 H LEU 40 H LEU 40 6.166 -25.211 -18.948 2 HA LEU 40 HA LEU 40 5.296 -26.117 -21.631 3 HB2 LEU 40 1HB LEU 40 7.831 -24.531 -21.065 4 HB3 LEU 40 2HB LEU 40 7.269 -25.085 -22.645 5 HG LEU 40 HG LEU 40 5.920 -22.957 -20.913 6 HD11 LEU 40 HD11 LEU 40 8.097 -22.259 -21.844 7 HD13 LEU 40 HD12 LEU 40 6.755 -21.390 -22.612 8 HD12 LEU 40 HD13 LEU 40 7.554 -22.724 -23.471 9 HD22 LEU 40 HD21 LEU 40 4.257 -24.114 -22.352 10 HD21 LEU 40 HD22 LEU 40 5.288 -23.854 -23.765 11 HD23 LEU 40 HD23 LEU 40 4.557 -22.474 -22.911 No H/Q in entry = 11 Start of MODEL 19 1 H LYS 41 H LYS 41 6.916 -27.606 -22.614 2 HA LYS 41 HA LYS 41 8.946 -28.746 -20.848 3 HB2 LYS 41 1HB LYS 41 8.111 -31.017 -20.914 4 HB3 LYS 41 2HB LYS 41 6.959 -29.939 -20.119 5 HG2 LYS 41 1HG LYS 41 5.807 -29.815 -22.468 6 HG3 LYS 41 2HG LYS 41 6.758 -31.291 -22.810 7 HD2 LYS 41 1HD LYS 41 5.728 -32.389 -20.857 8 HD3 LYS 41 2HD LYS 41 4.798 -30.921 -20.542 9 HE2 LYS 41 1HE LYS 41 3.411 -32.567 -21.685 10 HE3 LYS 41 2HE LYS 41 3.675 -31.195 -22.774 11 HZ2 LYS 41 1HZ LYS 41 3.936 -33.284 -23.883 12 HZ1 LYS 41 2HZ LYS 41 5.096 -33.773 -22.821 13 HZ3 LYS 41 3HZ LYS 41 5.391 -32.523 -23.850 No H/Q in entry = 13 Start of MODEL 19 1 H ASN 42 H ASN 42 10.493 -28.143 -22.267 2 HA ASN 42 HA ASN 42 11.676 -27.899 -24.159 3 HB2 ASN 42 1HB ASN 42 11.922 -30.344 -23.600 4 HB3 ASN 42 2HB ASN 42 10.680 -30.709 -24.805 5 HD21 ASN 42 HD21 ASN 42 12.696 -32.060 -25.434 6 HD22 ASN 42 HD22 ASN 42 13.790 -31.335 -26.594 No H/Q in entry = 6 Start of MODEL 19 1 H GLY 43 H GLY 43 9.328 -26.569 -24.333 2 HA3 GLY 43 1HA GLY 43 8.412 -25.302 -26.027 3 HA2 GLY 43 2HA GLY 43 8.770 -26.530 -27.233 No H/Q in entry = 3 Start of MODEL 19 1 H GLU 44 H GLU 44 7.429 -28.718 -25.503 2 HA GLU 44 HA GLU 44 4.780 -28.388 -26.621 3 HB2 GLU 44 1HB GLU 44 5.827 -30.458 -24.668 4 HB3 GLU 44 2HB GLU 44 4.355 -30.588 -25.631 5 HG2 GLU 44 1HG GLU 44 5.750 -30.558 -27.701 6 HG3 GLU 44 2HG GLU 44 7.212 -30.543 -26.692 No H/Q in entry = 6 Start of MODEL 19 1 H ARG 45 H ARG 45 2.782 -28.814 -25.190 2 HA ARG 45 HA ARG 45 2.948 -28.016 -22.399 3 HB2 ARG 45 1HB ARG 45 1.497 -26.059 -22.601 4 HB3 ARG 45 2HB ARG 45 3.007 -25.814 -23.489 5 HG2 ARG 45 1HG ARG 45 1.841 -26.381 -25.627 6 HG3 ARG 45 2HG ARG 45 0.339 -26.608 -24.715 7 HD2 ARG 45 1HD ARG 45 0.589 -24.181 -23.924 8 HD3 ARG 45 2HD ARG 45 1.931 -24.041 -25.068 9 HE ARG 45 HE ARG 45 0.440 -23.863 -26.788 10 HH12 ARG 45 HH11 ARG 45 -2.825 -25.344 -24.864 11 HH11 ARG 45 HH12 ARG 45 -1.294 -25.302 -24.026 12 HH21 ARG 45 HH21 ARG 45 -1.581 -23.936 -27.851 13 HH22 ARG 45 HH22 ARG 45 -2.989 -24.566 -27.027 No H/Q in entry = 13 Start of MODEL 19 1 H ILE 46 H ILE 46 1.097 -28.590 -21.228 2 HA ILE 46 HA ILE 46 -0.677 -30.520 -22.581 3 HB ILE 46 HB ILE 46 -0.497 -29.925 -19.617 4 HG13 ILE 46 HG12 ILE 46 1.162 -31.892 -21.252 5 HG21 ILE 46 HG21 ILE 46 -2.495 -31.165 -20.478 6 HG22 ILE 46 HG22 ILE 46 -1.412 -32.400 -21.141 7 HG23 ILE 46 HG23 ILE 46 -1.503 -32.130 -19.389 8 HD13 ILE 46 HD11 ILE 46 2.554 -29.984 -20.754 9 HD11 ILE 46 HD12 ILE 46 1.763 -29.734 -19.181 10 HD12 ILE 46 HD13 ILE 46 2.856 -31.104 -19.419 11 HG12 ILE 46 HG11 ILE 46 0.808 -32.114 -19.535 No H/Q in entry = 11 Start of MODEL 19 1 H GLU 47 H GLU 47 -2.760 -29.933 -23.107 2 HA GLU 47 HA GLU 47 -3.966 -27.492 -21.968 3 HB2 GLU 47 1HB GLU 47 -3.911 -28.089 -24.417 4 HB3 GLU 47 2HB GLU 47 -5.104 -29.350 -24.077 5 HG2 GLU 47 1HG GLU 47 -6.675 -27.608 -23.231 6 HG3 GLU 47 2HG GLU 47 -5.425 -26.372 -23.441 No H/Q in entry = 6 Start of MODEL 19 1 H LYS 48 H LYS 48 -3.624 -29.172 -19.913 2 HA LYS 48 HA LYS 48 -6.252 -29.834 -18.995 3 HB2 LYS 48 1HB LYS 48 -5.814 -31.829 -20.454 4 HB3 LYS 48 2HB LYS 48 -4.340 -32.154 -19.548 5 HG2 LYS 48 1HG LYS 48 -6.120 -33.645 -18.903 6 HG3 LYS 48 2HG LYS 48 -5.671 -32.649 -17.526 7 HD2 LYS 48 1HD LYS 48 -7.670 -31.200 -17.943 8 HD3 LYS 48 2HD LYS 48 -8.091 -32.214 -19.336 9 HE2 LYS 48 1HE LYS 48 -8.326 -34.174 -17.856 10 HE3 LYS 48 2HE LYS 48 -7.811 -33.212 -16.461 11 HZ2 LYS 48 1HZ LYS 48 -10.221 -32.737 -18.056 12 HZ1 LYS 48 2HZ LYS 48 -9.726 -31.838 -16.764 13 HZ3 LYS 48 3HZ LYS 48 -10.162 -33.413 -16.552 No H/Q in entry = 13 Start of MODEL 19 1 H VAL 49 H VAL 49 -4.858 -28.027 -17.918 2 HA VAL 49 HA VAL 49 -3.173 -29.073 -15.724 3 HB VAL 49 HB VAL 49 -3.892 -26.221 -16.399 4 HG11 VAL 49 HG11 VAL 49 -3.035 -26.615 -14.102 5 HG12 VAL 49 HG12 VAL 49 -1.617 -27.443 -14.772 6 HG13 VAL 49 HG13 VAL 49 -1.868 -25.717 -15.091 7 HG21 VAL 49 HG21 VAL 49 -1.506 -27.899 -17.311 8 HG22 VAL 49 HG22 VAL 49 -2.744 -27.176 -18.358 9 HG23 VAL 49 HG23 VAL 49 -1.627 -26.136 -17.474 No H/Q in entry = 9 Start of MODEL 19 1 H GLU 50 H GLU 50 -4.158 -29.512 -13.768 2 HA GLU 50 HA GLU 50 -6.955 -28.574 -13.279 3 HB2 GLU 50 1HB GLU 50 -5.322 -30.854 -12.114 4 HB3 GLU 50 2HB GLU 50 -6.854 -30.279 -11.441 5 HG2 GLU 50 1HG GLU 50 -7.336 -32.181 -12.807 6 HG3 GLU 50 2HG GLU 50 -8.008 -30.741 -13.579 No H/Q in entry = 6 Start of MODEL 19 1 H HIS 51 H HIS 51 -7.352 -27.118 -11.716 2 HA HIS 51 HA HIS 51 -5.522 -26.737 -9.470 3 HB2 HIS 51 1HB HIS 51 -5.242 -24.317 -9.896 4 HB3 HIS 51 2HB HIS 51 -4.412 -25.358 -11.046 5 HD1 HIS 51 HD1 HIS 51 -7.016 -22.707 -10.869 6 HD2 HIS 51 HD2 HIS 51 -5.461 -25.385 -13.692 7 HE1 HIS 51 HE1 HIS 51 -7.842 -21.965 -13.155 No H/Q in entry = 7 Start of MODEL 19 1 H SER 52 H SER 52 -6.876 -26.695 -7.790 2 HA SER 52 HA SER 52 -9.160 -24.877 -7.668 3 HB2 SER 52 1HB SER 52 -9.559 -27.903 -7.576 4 HB3 SER 52 2HB SER 52 -10.724 -26.722 -6.945 5 HG SER 52 HG SER 52 -9.786 -26.763 -9.613 No H/Q in entry = 5 Start of MODEL 19 1 H ASP 53 H ASP 53 -7.574 -24.024 -6.181 2 HA ASP 53 HA ASP 53 -7.862 -25.041 -3.465 3 HB2 ASP 53 1HB ASP 53 -6.039 -26.488 -4.353 4 HB3 ASP 53 2HB ASP 53 -5.153 -25.054 -4.879 No H/Q in entry = 4 Start of MODEL 19 1 H LEU 54 H LEU 54 -8.921 -22.741 -4.282 2 HA LEU 54 HA LEU 54 -6.983 -20.554 -4.028 3 HB2 LEU 54 1HB LEU 54 -8.996 -20.640 -5.582 4 HB3 LEU 54 2HB LEU 54 -9.983 -20.204 -4.183 5 HG LEU 54 HG LEU 54 -7.482 -18.681 -5.067 6 HD11 LEU 54 HD11 LEU 54 -9.132 -18.730 -6.930 7 HD13 LEU 54 HD12 LEU 54 -9.001 -17.104 -6.243 8 HD12 LEU 54 HD13 LEU 54 -10.391 -18.130 -5.829 9 HD21 LEU 54 HD21 LEU 54 -9.816 -17.880 -3.288 10 HD23 LEU 54 HD22 LEU 54 -8.592 -16.754 -3.908 11 HD22 LEU 54 HD23 LEU 54 -8.104 -18.060 -2.823 No H/Q in entry = 11 Start of MODEL 19 1 H SER 55 H SER 55 -6.160 -21.195 -2.146 2 HA SER 55 HA SER 55 -7.831 -21.219 0.291 3 HB2 SER 55 1HB SER 55 -6.570 -23.209 -0.383 4 HB3 SER 55 2HB SER 55 -5.052 -22.305 -0.216 5 HG SER 55 HG SER 55 -5.620 -23.479 1.678 No H/Q in entry = 5 Start of MODEL 19 1 H PHE 56 H PHE 56 -7.360 -19.988 2.089 2 HA PHE 56 HA PHE 56 -5.780 -17.552 1.593 3 HB2 PHE 56 1HB PHE 56 -7.757 -18.107 3.798 4 HB3 PHE 56 2HB PHE 56 -7.175 -16.548 3.219 5 HD1 PHE 56 HD1 PHE 56 -7.634 -16.075 0.613 6 HD2 PHE 56 HD2 PHE 56 -9.788 -18.969 2.979 7 HE1 PHE 56 HE1 PHE 56 -9.425 -16.166 -1.109 8 HE2 PHE 56 HE2 PHE 56 -11.557 -19.063 1.252 9 HZ PHE 56 HZ PHE 56 -11.362 -17.689 -0.810 No H/Q in entry = 9 Start of MODEL 19 1 H SER 57 H SER 57 -3.824 -17.261 2.567 2 HA SER 57 HA SER 57 -2.834 -19.014 4.671 3 HB2 SER 57 1HB SER 57 -1.727 -16.421 3.517 4 HB3 SER 57 2HB SER 57 -0.834 -17.557 4.547 5 HG SER 57 HG SER 57 -0.540 -17.786 2.231 No H/Q in entry = 5 Start of MODEL 19 1 H LYS 58 H LYS 58 -1.618 -17.682 6.532 2 HA LYS 58 HA LYS 58 -3.505 -16.381 8.243 3 HB2 LYS 58 1HB LYS 58 -1.634 -15.981 9.687 4 HB3 LYS 58 2HB LYS 58 -1.486 -17.599 8.991 5 HG2 LYS 58 1HG LYS 58 0.106 -16.539 7.248 6 HG3 LYS 58 2HG LYS 58 0.092 -15.094 8.285 7 HD2 LYS 58 1HD LYS 58 0.868 -16.514 10.196 8 HD3 LYS 58 2HD LYS 58 0.937 -17.905 9.092 9 HE2 LYS 58 1HE LYS 58 2.545 -16.617 7.645 10 HE3 LYS 58 2HE LYS 58 2.542 -15.320 8.856 11 HZ3 LYS 58 1HZ LYS 58 4.376 -16.802 9.146 12 HZ2 LYS 58 2HZ LYS 58 3.371 -18.100 9.300 13 HZ1 LYS 58 3HZ LYS 58 3.365 -16.914 10.445 No H/Q in entry = 13 Start of MODEL 19 1 H ASP 59 H ASP 59 -1.074 -15.231 5.899 2 HA ASP 59 HA ASP 59 -1.421 -12.412 6.229 3 HB2 ASP 59 1HB ASP 59 -0.628 -14.107 3.813 4 HB3 ASP 59 2HB ASP 59 -0.538 -12.345 3.889 No H/Q in entry = 4 Start of MODEL 19 1 H GLY 60 H GLY 60 -3.113 -14.944 4.408 2 HA3 GLY 60 1HA GLY 60 -5.401 -14.767 3.731 3 HA2 GLY 60 2HA GLY 60 -5.199 -13.036 3.449 No H/Q in entry = 3 Start of MODEL 19 1 H SER 61 H SER 61 -2.354 -14.613 2.422 2 HA SER 61 HA SER 61 -2.815 -13.991 -0.298 3 HB2 SER 61 1HB SER 61 -0.678 -14.918 -0.710 4 HB3 SER 61 2HB SER 61 -0.590 -14.009 0.816 5 HG SER 61 HG SER 61 0.432 -16.082 0.888 No H/Q in entry = 5 Start of MODEL 19 1 H PHE 62 H PHE 62 -2.709 -15.437 -2.106 2 HA PHE 62 HA PHE 62 -4.844 -17.420 -1.687 3 HB2 PHE 62 1HB PHE 62 -4.072 -15.850 -4.154 4 HB3 PHE 62 2HB PHE 62 -5.570 -16.737 -3.858 5 HD1 PHE 62 HD1 PHE 62 -7.205 -15.869 -2.142 6 HD2 PHE 62 HD2 PHE 62 -3.630 -13.685 -3.132 7 HE1 PHE 62 HE1 PHE 62 -8.133 -13.848 -1.039 8 HE2 PHE 62 HE2 PHE 62 -4.524 -11.692 -1.966 9 HZ PHE 62 HZ PHE 62 -6.784 -11.764 -0.927 No H/Q in entry = 9 Start of MODEL 19 1 H TYR 63 H TYR 63 -2.975 -19.022 -1.161 2 HA TYR 63 HA TYR 63 -1.144 -19.655 -3.272 3 HB2 TYR 63 1HB TYR 63 -0.246 -21.288 -1.756 4 HB3 TYR 63 2HB TYR 63 -0.524 -19.745 -0.950 5 HD1 TYR 63 HD1 TYR 63 -2.355 -19.500 0.745 6 HD2 TYR 63 HD2 TYR 63 -1.442 -23.290 -1.073 7 HE1 TYR 63 HE1 TYR 63 -3.435 -20.671 2.644 8 HE2 TYR 63 HE2 TYR 63 -2.544 -24.464 0.811 9 HH TYR 63 HH TYR 63 -3.933 -22.697 3.605 No H/Q in entry = 9 Start of MODEL 19 1 H LEU 64 H LEU 64 -1.602 -20.781 -5.057 2 HA LEU 64 HA LEU 64 -3.790 -22.771 -5.034 3 HB2 LEU 64 1HB LEU 64 -2.715 -20.874 -6.984 4 HB3 LEU 64 2HB LEU 64 -2.882 -22.501 -7.634 5 HG LEU 64 HG LEU 64 -5.225 -22.612 -6.768 6 HD12 LEU 64 HD11 LEU 64 -4.949 -19.595 -6.393 7 HD11 LEU 64 HD12 LEU 64 -4.991 -20.752 -5.058 8 HD13 LEU 64 HD13 LEU 64 -6.382 -20.597 -6.161 9 HD23 LEU 64 HD21 LEU 64 -6.176 -21.189 -8.544 10 HD22 LEU 64 HD22 LEU 64 -4.782 -22.114 -9.114 11 HD21 LEU 64 HD23 LEU 64 -4.605 -20.382 -8.741 No H/Q in entry = 11 Start of MODEL 19 1 H LEU 65 H LEU 65 -3.501 -24.629 -6.522 2 HA LEU 65 HA LEU 65 -0.820 -25.916 -6.449 3 HB2 LEU 65 1HB LEU 65 -2.196 -26.746 -4.546 4 HB3 LEU 65 2HB LEU 65 -3.522 -27.080 -5.653 5 HG LEU 65 HG LEU 65 -2.048 -28.759 -6.844 6 HD13 LEU 65 HD11 LEU 65 0.187 -27.952 -6.174 7 HD12 LEU 65 HD12 LEU 65 -0.078 -29.618 -5.643 8 HD11 LEU 65 HD13 LEU 65 -0.196 -28.297 -4.468 9 HD21 LEU 65 HD21 LEU 65 -3.716 -29.425 -5.164 10 HD23 LEU 65 HD22 LEU 65 -2.519 -29.195 -3.870 11 HD22 LEU 65 HD23 LEU 65 -2.285 -30.468 -5.089 No H/Q in entry = 11 Start of MODEL 19 1 H TYR 66 H TYR 66 -0.441 -25.714 -8.659 2 HA TYR 66 HA TYR 66 -2.595 -26.434 -10.580 3 HB2 TYR 66 1HB TYR 66 0.066 -25.011 -10.829 4 HB3 TYR 66 2HB TYR 66 -0.816 -25.608 -12.229 5 HD1 TYR 66 HD1 TYR 66 -2.699 -24.464 -13.130 6 HD2 TYR 66 HD2 TYR 66 -0.998 -23.212 -9.373 7 HE1 TYR 66 HE1 TYR 66 -3.944 -22.335 -13.284 8 HE2 TYR 66 HE2 TYR 66 -2.204 -21.051 -9.559 9 HH TYR 66 HH TYR 66 -4.415 -20.324 -12.282 No H/Q in entry = 9 Start of MODEL 19 1 H TYR 67 H TYR 67 -2.647 -28.652 -10.432 2 HA TYR 67 HA TYR 67 -0.175 -30.147 -10.985 3 HB2 TYR 67 1HB TYR 67 -1.199 -32.006 -10.001 4 HB3 TYR 67 2HB TYR 67 -1.198 -30.601 -8.947 5 HD1 TYR 67 HD1 TYR 67 -3.417 -29.319 -8.618 6 HD2 TYR 67 HD2 TYR 67 -3.184 -33.254 -10.346 7 HE1 TYR 67 HE1 TYR 67 -5.838 -29.632 -8.218 8 HE2 TYR 67 HE2 TYR 67 -5.599 -33.575 -9.937 9 HH TYR 67 HH TYR 67 -7.647 -31.042 -8.445 No H/Q in entry = 9 Start of MODEL 19 1 H THR 68 H THR 68 -0.022 -29.955 -13.245 2 HA THR 68 HA THR 68 -2.042 -31.240 -14.958 3 HB THR 68 HB THR 68 -0.490 -29.405 -15.741 4 HG1 THR 68 HG1 THR 68 -0.058 -30.524 -17.703 5 HG21 THR 68 HG21 THR 68 1.622 -30.183 -14.651 6 HG23 THR 68 HG22 THR 68 1.758 -29.991 -16.405 7 HG22 THR 68 HG23 THR 68 1.637 -31.608 -15.722 No H/Q in entry = 7 Start of MODEL 19 1 H GLU 69 H GLU 69 -1.217 -33.148 -16.300 2 HA GLU 69 HA GLU 69 0.305 -35.104 -14.625 3 HB2 GLU 69 1HB GLU 69 -2.137 -35.564 -15.170 4 HB3 GLU 69 2HB GLU 69 -1.645 -35.789 -16.847 5 HG2 GLU 69 1HG GLU 69 -0.600 -37.306 -14.405 6 HG3 GLU 69 2HG GLU 69 -1.776 -37.919 -15.574 No H/Q in entry = 6 Start of MODEL 19 1 H PHE 70 H PHE 70 2.372 -34.514 -15.317 2 HA PHE 70 HA PHE 70 2.935 -34.398 -18.210 3 HB2 PHE 70 1HB PHE 70 4.967 -33.473 -17.709 4 HB3 PHE 70 2HB PHE 70 3.828 -32.709 -16.615 5 HD1 PHE 70 HD1 PHE 70 6.849 -34.751 -16.909 6 HD2 PHE 70 HD2 PHE 70 3.795 -33.462 -14.165 7 HE1 PHE 70 HE1 PHE 70 8.359 -35.224 -15.007 8 HE2 PHE 70 HE2 PHE 70 5.278 -34.055 -12.251 9 HZ PHE 70 HZ PHE 70 7.553 -34.948 -12.683 No H/Q in entry = 9 Start of MODEL 19 1 H THR 71 H THR 71 3.980 -35.993 -19.320 2 HA THR 71 HA THR 71 4.689 -38.520 -17.979 3 HB THR 71 HB THR 71 4.517 -37.750 -20.900 4 HG1 THR 71 HG1 THR 71 2.636 -39.100 -20.681 5 HG23 THR 71 HG21 THR 71 4.584 -40.169 -21.314 6 HG22 THR 71 HG22 THR 71 4.821 -40.492 -19.589 7 HG21 THR 71 HG23 THR 71 6.085 -39.665 -20.521 No H/Q in entry = 7 Start of MODEL 19 1 HA PRO 72 HA PRO 72 8.901 -36.624 -18.204 2 HB2 PRO 72 1HB PRO 72 10.217 -38.419 -16.602 3 HB3 PRO 72 2HB PRO 72 9.318 -37.004 -16.019 4 HG2 PRO 72 1HG PRO 72 8.385 -39.864 -16.142 5 HG3 PRO 72 2HG PRO 72 8.165 -38.682 -14.829 6 HD2 PRO 72 1HD PRO 72 6.225 -39.258 -16.650 7 HD3 PRO 72 2HD PRO 72 6.423 -37.608 -15.984 No H/Q in entry = 7 Start of MODEL 19 1 H THR 73 H THR 73 10.106 -36.984 -19.945 2 HA THR 73 HA THR 73 10.001 -39.469 -21.446 3 HB THR 73 HB THR 73 11.631 -36.947 -21.923 4 HG1 THR 73 HG1 THR 73 9.853 -36.236 -23.062 5 HG23 THR 73 HG21 THR 73 12.287 -38.777 -23.449 6 HG22 THR 73 HG22 THR 73 11.338 -37.573 -24.329 7 HG21 THR 73 HG23 THR 73 10.578 -39.093 -23.829 No H/Q in entry = 7 Start of MODEL 19 1 H GLU 74 H GLU 74 11.961 -38.273 -18.882 2 HA GLU 74 HA GLU 74 13.937 -38.725 -18.005 3 HB2 GLU 74 1HB GLU 74 13.940 -41.334 -19.598 4 HB3 GLU 74 2HB GLU 74 14.857 -40.980 -18.136 5 HG2 GLU 74 1HG GLU 74 11.805 -41.136 -18.271 6 HG3 GLU 74 2HG GLU 74 12.875 -42.444 -17.782 No H/Q in entry = 6 Start of MODEL 19 1 H LYS 75 H LYS 75 14.060 -36.923 -19.764 2 HA LYS 75 HA LYS 75 16.658 -36.903 -20.960 3 HB2 LYS 75 1HB LYS 75 15.636 -38.398 -22.625 4 HB3 LYS 75 2HB LYS 75 14.257 -37.303 -22.795 5 HG2 LYS 75 1HG LYS 75 15.738 -35.575 -23.776 6 HG3 LYS 75 2HG LYS 75 17.152 -36.582 -23.421 7 HD2 LYS 75 1HD LYS 75 16.668 -36.785 -25.748 8 HD3 LYS 75 2HD LYS 75 16.246 -38.327 -24.983 9 HE2 LYS 75 1HE LYS 75 13.841 -37.654 -25.001 10 HE3 LYS 75 2HE LYS 75 14.291 -36.096 -25.729 11 HZ3 LYS 75 1HZ LYS 75 13.537 -37.655 -27.344 12 HZ2 LYS 75 2HZ LYS 75 14.698 -38.746 -26.919 13 HZ1 LYS 75 3HZ LYS 75 15.129 -37.308 -27.603 No H/Q in entry = 13 Start of MODEL 19 1 H ASP 76 H ASP 76 13.303 -35.692 -21.050 2 HA ASP 76 HA ASP 76 14.143 -33.049 -22.016 3 HB2 ASP 76 1HB ASP 76 11.458 -34.372 -21.505 4 HB3 ASP 76 2HB ASP 76 11.620 -32.686 -22.008 No H/Q in entry = 4 Start of MODEL 19 1 H GLU 77 H GLU 77 13.244 -31.090 -21.075 2 HA GLU 77 HA GLU 77 13.389 -31.083 -18.100 3 HB2 GLU 77 1HB GLU 77 14.116 -28.777 -18.295 4 HB3 GLU 77 2HB GLU 77 15.206 -29.902 -19.112 5 HG2 GLU 77 1HG GLU 77 14.218 -29.245 -21.312 6 HG3 GLU 77 2HG GLU 77 13.179 -28.077 -20.482 No H/Q in entry = 6 Start of MODEL 19 1 H TYR 78 H TYR 78 11.578 -30.728 -17.056 2 HA TYR 78 HA TYR 78 9.193 -29.595 -18.382 3 HB2 TYR 78 1HB TYR 78 9.542 -31.020 -15.735 4 HB3 TYR 78 2HB TYR 78 8.022 -30.511 -16.449 5 HD1 TYR 78 HD1 TYR 78 6.928 -31.833 -18.142 6 HD2 TYR 78 HD2 TYR 78 10.966 -32.795 -16.957 7 HE1 TYR 78 HE1 TYR 78 6.971 -33.751 -19.732 8 HE2 TYR 78 HE2 TYR 78 11.029 -34.600 -18.644 9 HH TYR 78 HH TYR 78 9.983 -35.472 -20.527 No H/Q in entry = 9 Start of MODEL 19 1 H ALA 79 H ALA 79 8.330 -27.587 -17.731 2 HA ALA 79 HA ALA 79 9.679 -26.110 -15.523 3 HB1 ALA 79 1HB ALA 79 11.094 -25.797 -17.491 4 HB3 ALA 79 2HB ALA 79 9.685 -25.327 -18.470 5 HB2 ALA 79 3HB ALA 79 10.210 -24.303 -17.121 No H/Q in entry = 5 Start of MODEL 19 1 H CYS 80 H CYS 80 8.070 -25.356 -14.315 2 HA CYS 80 HA CYS 80 5.507 -24.532 -15.350 3 HB2 CYS 80 1HB CYS 80 5.921 -25.337 -13.023 4 HB3 CYS 80 2HB CYS 80 6.774 -23.821 -12.699 No H/Q in entry = 4 Start of MODEL 19 1 H ARG 81 H ARG 81 5.052 -22.678 -16.353 2 HA ARG 81 HA ARG 81 7.133 -20.626 -16.710 3 HB2 ARG 81 1HB ARG 81 6.112 -21.873 -18.623 4 HB3 ARG 81 2HB ARG 81 4.572 -21.109 -18.248 5 HG2 ARG 81 1HG ARG 81 6.203 -18.897 -18.313 6 HG3 ARG 81 2HG ARG 81 7.096 -19.975 -19.395 7 HD2 ARG 81 1HD ARG 81 5.647 -18.673 -20.763 8 HD3 ARG 81 2HD ARG 81 4.924 -20.290 -20.693 9 HE ARG 81 HE ARG 81 3.955 -18.513 -18.609 10 HH12 ARG 81 HH11 ARG 81 1.895 -18.550 -22.104 11 HH11 ARG 81 HH12 ARG 81 3.459 -19.327 -22.039 12 HH21 ARG 81 HH21 ARG 81 1.930 -17.511 -18.730 13 HH22 ARG 81 HH22 ARG 81 1.024 -17.517 -20.224 No H/Q in entry = 13 Start of MODEL 19 1 H VAL 82 H VAL 82 6.784 -19.439 -14.701 2 HA VAL 82 HA VAL 82 4.039 -18.889 -13.867 3 HB VAL 82 HB VAL 82 6.668 -18.181 -12.533 4 HG13 VAL 82 HG11 VAL 82 4.742 -16.826 -11.768 5 HG11 VAL 82 HG12 VAL 82 3.797 -18.308 -11.510 6 HG12 VAL 82 HG13 VAL 82 5.244 -17.990 -10.528 7 HG21 VAL 82 HG21 VAL 82 4.793 -20.558 -12.169 8 HG22 VAL 82 HG22 VAL 82 6.469 -20.627 -12.756 9 HG23 VAL 82 HG23 VAL 82 6.139 -20.151 -11.086 No H/Q in entry = 9 Start of MODEL 19 1 H ASN 83 H ASN 83 3.072 -17.357 -15.064 2 HA ASN 83 HA ASN 83 4.392 -14.701 -15.445 3 HB2 ASN 83 1HB ASN 83 2.066 -16.050 -16.865 4 HB3 ASN 83 2HB ASN 83 2.505 -14.347 -17.060 5 HD21 ASN 83 HD21 ASN 83 3.317 -14.232 -19.116 6 HD22 ASN 83 HD22 ASN 83 4.612 -15.235 -19.734 No H/Q in entry = 6 Start of MODEL 19 1 H HIS 84 H HIS 84 3.399 -12.894 -14.608 2 HA HIS 84 HA HIS 84 0.869 -12.997 -13.185 3 HB2 HIS 84 1HB HIS 84 2.460 -14.133 -11.596 4 HB3 HIS 84 2HB HIS 84 3.491 -12.707 -11.659 5 HD2 HIS 84 HD2 HIS 84 -0.445 -12.777 -10.983 6 HE1 HIS 84 HE1 HIS 84 1.563 -10.949 -7.754 7 HE2 HIS 84 HE2 HIS 84 -0.737 -11.589 -8.680 No H/Q in entry = 7 Start of MODEL 19 1 H VAL 85 H VAL 85 0.309 -10.861 -12.342 2 HA VAL 85 HA VAL 85 0.918 -8.882 -14.231 3 HB VAL 85 HB VAL 85 -1.205 -9.127 -13.002 4 HG13 VAL 85 HG11 VAL 85 -1.503 -8.141 -10.787 5 HG11 VAL 85 HG12 VAL 85 -0.328 -9.465 -10.698 6 HG12 VAL 85 HG13 VAL 85 0.219 -7.775 -10.660 7 HG22 VAL 85 HG21 VAL 85 -1.709 -6.762 -12.890 8 HG23 VAL 85 HG22 VAL 85 0.010 -6.347 -12.737 9 HG21 VAL 85 HG23 VAL 85 -0.607 -7.056 -14.245 No H/Q in entry = 9 Start of MODEL 19 1 H THR 86 H THR 86 2.265 -9.403 -10.963 2 HA THR 86 HA THR 86 3.669 -6.906 -10.805 3 HB THR 86 HB THR 86 4.879 -7.917 -8.972 4 HG1 THR 86 HG1 THR 86 3.661 -10.355 -9.731 5 HG23 THR 86 HG21 THR 86 3.002 -8.585 -7.527 6 HG22 THR 86 HG22 THR 86 1.951 -8.785 -8.937 7 HG21 THR 86 HG23 THR 86 2.568 -7.182 -8.528 No H/Q in entry = 7 Start of MODEL 19 1 H LEU 87 H LEU 87 4.417 -10.081 -12.199 2 HA LEU 87 HA LEU 87 7.179 -9.398 -12.891 3 HB2 LEU 87 1HB LEU 87 5.437 -11.704 -13.822 4 HB3 LEU 87 2HB LEU 87 7.192 -11.597 -13.935 5 HG LEU 87 HG LEU 87 5.634 -11.737 -11.306 6 HD13 LEU 87 HD11 LEU 87 6.489 -14.032 -11.188 7 HD12 LEU 87 HD12 LEU 87 7.247 -13.843 -12.784 8 HD11 LEU 87 HD13 LEU 87 5.479 -13.812 -12.630 9 HD22 LEU 87 HD21 LEU 87 7.759 -10.574 -10.973 10 HD21 LEU 87 HD22 LEU 87 8.622 -11.813 -11.916 11 HD23 LEU 87 HD23 LEU 87 7.896 -12.222 -10.347 No H/Q in entry = 11 Start of MODEL 19 1 H SER 88 H SER 88 7.683 -9.972 -15.319 2 HA SER 88 HA SER 88 5.784 -8.663 -17.205 3 HB2 SER 88 1HB SER 88 8.741 -7.987 -16.878 4 HB3 SER 88 2HB SER 88 7.676 -7.398 -18.171 5 HG SER 88 HG SER 88 6.357 -6.495 -16.492 No H/Q in entry = 5 Start of MODEL 19 1 H GLN 89 H GLN 89 8.788 -10.513 -16.712 2 HA GLN 89 HA GLN 89 8.599 -11.790 -19.346 3 HB2 GLN 89 1HB GLN 89 10.751 -12.764 -18.777 4 HB3 GLN 89 2HB GLN 89 10.768 -11.031 -18.434 5 HG2 GLN 89 1HG GLN 89 10.315 -11.609 -15.989 6 HG3 GLN 89 2HG GLN 89 10.505 -13.316 -16.417 7 HE21 GLN 89 HE21 GLN 89 12.618 -13.881 -17.590 8 HE22 GLN 89 HE22 GLN 89 14.061 -13.074 -17.014 No H/Q in entry = 8 Start of MODEL 19 1 HA PRO 90 HA PRO 90 6.840 -15.585 -17.554 2 HB2 PRO 90 1HB PRO 90 7.884 -17.509 -19.213 3 HB3 PRO 90 2HB PRO 90 6.585 -16.394 -19.725 4 HG2 PRO 90 1HG PRO 90 9.554 -16.146 -20.253 5 HG3 PRO 90 2HG PRO 90 8.210 -15.970 -21.414 6 HD2 PRO 90 1HD PRO 90 9.389 -13.822 -20.235 7 HD3 PRO 90 2HD PRO 90 7.634 -13.839 -20.560 No H/Q in entry = 7 Start of MODEL 19 1 H LYS 91 H LYS 91 7.629 -16.280 -15.618 2 HA LYS 91 HA LYS 91 10.543 -16.389 -15.219 3 HB2 LYS 91 1HB LYS 91 8.850 -15.208 -13.744 4 HB3 LYS 91 2HB LYS 91 8.418 -16.777 -13.104 5 HG2 LYS 91 1HG LYS 91 11.129 -15.375 -13.132 6 HG3 LYS 91 2HG LYS 91 10.103 -15.570 -11.717 7 HD2 LYS 91 1HD LYS 91 11.413 -17.935 -13.151 8 HD3 LYS 91 2HD LYS 91 12.190 -16.999 -11.895 9 HE2 LYS 91 1HE LYS 91 11.255 -19.016 -10.963 10 HE3 LYS 91 2HE LYS 91 10.506 -17.574 -10.255 11 HZ1 LYS 91 1HZ LYS 91 9.305 -19.186 -12.393 12 HZ3 LYS 91 2HZ LYS 91 8.603 -17.941 -11.571 13 HZ2 LYS 91 3HZ LYS 91 8.958 -19.339 -10.787 No H/Q in entry = 13 Start of MODEL 19 1 H ILE 92 H ILE 92 11.311 -18.199 -16.118 2 HA ILE 92 HA ILE 92 9.894 -20.716 -16.188 3 HB ILE 92 HB ILE 92 12.773 -20.034 -16.916 4 HG13 ILE 92 HG12 ILE 92 11.934 -19.908 -19.264 5 HG22 ILE 92 HG21 ILE 92 10.995 -22.337 -17.788 6 HG23 ILE 92 HG22 ILE 92 12.629 -22.001 -18.388 7 HG21 ILE 92 HG23 ILE 92 12.392 -22.450 -16.698 8 HD12 ILE 92 HD11 ILE 92 9.196 -19.410 -18.021 9 HD13 ILE 92 HD12 ILE 92 9.645 -19.350 -19.732 10 HD11 ILE 92 HD13 ILE 92 9.623 -20.906 -18.885 11 HG12 ILE 92 HG11 ILE 92 11.468 -18.561 -18.235 No H/Q in entry = 11 Start of MODEL 19 1 H VAL 93 H VAL 93 9.741 -21.988 -14.423 2 HA VAL 93 HA VAL 93 11.918 -22.170 -12.448 3 HB VAL 93 HB VAL 93 9.323 -23.749 -12.659 4 HG12 VAL 93 HG11 VAL 93 9.874 -24.056 -10.146 5 HG13 VAL 93 HG12 VAL 93 10.860 -24.968 -11.277 6 HG11 VAL 93 HG13 VAL 93 11.492 -23.481 -10.528 7 HG21 VAL 93 HG21 VAL 93 8.856 -21.339 -12.342 8 HG22 VAL 93 HG22 VAL 93 8.491 -22.258 -10.885 9 HG23 VAL 93 HG23 VAL 93 9.992 -21.310 -10.969 No H/Q in entry = 9 Start of MODEL 19 1 H LYS 94 H LYS 94 13.072 -24.142 -12.142 2 HA LYS 94 HA LYS 94 13.020 -26.138 -14.379 3 HB2 LYS 94 1HB LYS 94 15.163 -25.561 -12.300 4 HB3 LYS 94 2HB LYS 94 15.229 -26.791 -13.581 5 HG2 LYS 94 1HG LYS 94 14.947 -24.935 -15.278 6 HG3 LYS 94 2HG LYS 94 15.096 -23.758 -13.974 7 HD2 LYS 94 1HD LYS 94 17.184 -25.787 -14.889 8 HD3 LYS 94 2HD LYS 94 17.240 -24.033 -15.103 9 HE2 LYS 94 1HE LYS 94 17.467 -25.567 -12.472 10 HE3 LYS 94 2HE LYS 94 18.743 -24.677 -13.309 11 HZ3 LYS 94 1HZ LYS 94 17.529 -22.667 -12.935 12 HZ2 LYS 94 2HZ LYS 94 17.823 -23.436 -11.505 13 HZ1 LYS 94 3HZ LYS 94 16.317 -23.486 -12.171 No H/Q in entry = 13 Start of MODEL 19 1 H TRP 95 H TRP 95 11.632 -27.741 -13.805 2 HA TRP 95 HA TRP 95 10.573 -28.267 -11.273 3 HB2 TRP 95 1HB TRP 95 9.486 -29.228 -13.165 4 HB3 TRP 95 2HB TRP 95 10.992 -29.924 -13.757 5 HD1 TRP 95 HD1 TRP 95 9.264 -30.443 -10.328 6 HE1 TRP 95 HE1 TRP 95 9.244 -32.968 -9.829 7 HE3 TRP 95 HE3 TRP 95 11.286 -32.143 -14.690 8 HZ2 TRP 95 HZ2 TRP 95 9.987 -35.400 -11.167 9 HZ3 TRP 95 HZ3 TRP 95 11.579 -34.579 -15.080 10 HH2 TRP 95 HH2 TRP 95 10.954 -36.207 -13.320 No H/Q in entry = 10 Start of MODEL 19 1 H ASP 96 H ASP 96 11.744 -28.717 -9.489 2 HA ASP 96 HA ASP 96 14.266 -30.220 -9.608 3 HB2 ASP 96 1HB ASP 96 12.777 -29.012 -7.251 4 HB3 ASP 96 2HB ASP 96 14.420 -29.677 -7.245 No H/Q in entry = 4 Start of MODEL 19 1 H ARG 97 H ARG 97 14.469 -32.327 -9.127 2 HA ARG 97 HA ARG 97 12.127 -33.979 -8.872 3 HB2 ARG 97 1HB ARG 97 14.002 -34.660 -10.223 4 HB3 ARG 97 2HB ARG 97 15.112 -34.552 -8.859 5 HG2 ARG 97 1HG ARG 97 14.602 -36.848 -9.423 6 HG3 ARG 97 2HG ARG 97 14.066 -36.491 -7.782 7 HD2 ARG 97 1HD ARG 97 12.180 -36.386 -10.174 8 HD3 ARG 97 2HD ARG 97 12.528 -37.892 -9.305 9 HE ARG 97 HE ARG 97 11.841 -36.043 -7.339 10 HH12 ARG 97 HH11 ARG 97 8.664 -37.534 -9.369 11 HH11 ARG 97 HH12 ARG 97 10.241 -37.539 -10.121 12 HH21 ARG 97 HH21 ARG 97 9.788 -36.015 -6.378 13 HH22 ARG 97 HH22 ARG 97 8.396 -36.627 -7.243 No H/Q in entry = 13 Start of MODEL 19 1 H ASP 98 H ASP 98 15.057 -33.643 -6.783 2 HA ASP 98 HA ASP 98 13.498 -34.663 -4.462 3 HB2 ASP 98 1HB ASP 98 15.424 -35.983 -5.145 4 HB3 ASP 98 2HB ASP 98 16.483 -34.572 -5.017 No H/Q in entry = 4 Start of MODEL 19 1 H MET 99 H MET 99 16.069 -32.252 -5.223 2 HA MET 99 HA MET 99 16.202 -31.101 -2.722 3 HB2 MET 99 1HB MET 99 17.844 -30.841 -4.577 4 HB3 MET 99 2HB MET 99 16.717 -29.757 -5.406 5 HG2 MET 99 1HG MET 99 18.330 -28.416 -4.311 6 HG3 MET 99 2HG MET 99 16.843 -28.213 -3.399 7 HE1 MET 99 1HE MET 99 16.965 -27.959 -0.995 8 HE2 MET 99 2HE MET 99 16.525 -29.680 -0.890 9 HE3 MET 99 3HE MET 99 17.834 -29.037 0.117 No H/Q in entry = 9 Start of MODEL 20 1 H1 MET 0 2H MET 0 2.771 -0.042 -1.800 2 H2 MET 0 3H MET 0 3.306 -0.374 -3.323 3 H3 MET 0 1H MET 0 1.997 0.609 -3.106 4 HA MET 0 HA MET 0 0.740 -1.157 -2.190 5 HB2 MET 0 1HB MET 0 0.544 -0.723 -4.568 6 HB3 MET 0 2HB MET 0 1.978 -1.694 -4.918 7 HG2 MET 0 1HG MET 0 -0.042 -2.902 -5.499 8 HG3 MET 0 2HG MET 0 0.788 -3.738 -4.197 9 HE2 MET 0 1HE MET 0 -1.233 -5.244 -3.667 10 HE3 MET 0 2HE MET 0 -2.898 -4.650 -3.465 11 HE1 MET 0 3HE MET 0 -2.086 -4.510 -5.042 No H/Q in entry = 11 Start of MODEL 20 1 H ILE 1 H ILE 1 0.574 -3.219 -1.415 2 HA ILE 1 HA ILE 1 2.946 -4.698 -0.675 3 HB ILE 1 HB ILE 1 1.159 -4.710 0.849 4 HG13 ILE 1 HG12 ILE 1 1.106 -7.446 -0.476 5 HG22 ILE 1 HG21 ILE 1 -1.072 -5.679 0.430 6 HG23 ILE 1 HG22 ILE 1 -0.808 -4.211 -0.502 7 HG21 ILE 1 HG23 ILE 1 -0.721 -5.795 -1.294 8 HD12 ILE 1 HD11 ILE 1 2.855 -7.978 1.272 9 HD13 ILE 1 HD12 ILE 1 3.454 -6.924 -0.021 10 HD11 ILE 1 HD13 ILE 1 3.030 -6.240 1.569 11 HG12 ILE 1 HG11 ILE 1 0.667 -7.062 1.178 No H/Q in entry = 11 Start of MODEL 20 1 H GLN 2 H GLN 2 3.947 -4.986 -2.715 2 HA GLN 2 HA GLN 2 2.584 -6.704 -4.682 3 HB2 GLN 2 1HB GLN 2 5.208 -5.169 -4.734 4 HB3 GLN 2 2HB GLN 2 4.602 -6.173 -6.063 5 HG2 GLN 2 1HG GLN 2 2.595 -4.774 -6.272 6 HG3 GLN 2 2HG GLN 2 3.093 -3.815 -4.874 7 HE21 GLN 2 HE21 GLN 2 4.123 -4.757 -8.183 8 HE22 GLN 2 HE22 GLN 2 5.029 -3.293 -8.498 No H/Q in entry = 8 Start of MODEL 20 1 H ARG 3 H ARG 3 2.555 -8.600 -3.360 2 HA ARG 3 HA ARG 3 5.052 -9.883 -2.565 3 HB2 ARG 3 1HB ARG 3 2.310 -11.172 -2.727 4 HB3 ARG 3 2HB ARG 3 3.726 -11.672 -1.787 5 HG2 ARG 3 1HG ARG 3 3.511 -9.605 -0.403 6 HG3 ARG 3 2HG ARG 3 2.118 -9.131 -1.384 7 HD2 ARG 3 1HD ARG 3 1.035 -10.014 0.401 8 HD3 ARG 3 2HD ARG 3 1.064 -11.409 -0.671 9 HE ARG 3 HE ARG 3 2.478 -10.971 1.866 10 HH12 ARG 3 HH11 ARG 3 2.981 -14.446 -0.162 11 HH11 ARG 3 HH12 ARG 3 2.335 -13.073 -1.019 12 HH21 ARG 3 HH21 ARG 3 3.231 -12.818 2.947 13 HH22 ARG 3 HH22 ARG 3 3.463 -14.317 2.077 No H/Q in entry = 13 Start of MODEL 20 1 H THR 4 H THR 4 6.181 -11.375 -3.755 2 HA THR 4 HA THR 4 5.437 -11.757 -6.561 3 HB THR 4 HB THR 4 7.715 -12.844 -6.648 4 HG1 THR 4 HG1 THR 4 8.993 -12.632 -4.796 5 HG21 THR 4 HG21 THR 4 7.413 -10.417 -7.108 6 HG23 THR 4 HG22 THR 4 8.984 -10.787 -6.371 7 HG22 THR 4 HG23 THR 4 7.694 -10.063 -5.389 No H/Q in entry = 7 Start of MODEL 20 1 HA PRO 5 HA PRO 5 3.936 -15.957 -5.984 2 HB2 PRO 5 1HB PRO 5 4.879 -17.188 -8.283 3 HB3 PRO 5 2HB PRO 5 3.461 -16.111 -8.228 4 HG2 PRO 5 1HG PRO 5 6.289 -15.431 -9.034 5 HG3 PRO 5 2HG PRO 5 4.761 -14.952 -9.834 6 HD2 PRO 5 1HD PRO 5 6.094 -13.272 -8.189 7 HD3 PRO 5 2HD PRO 5 4.310 -13.320 -8.187 No H/Q in entry = 7 Start of MODEL 20 1 H LYS 6 H LYS 6 4.883 -17.102 -4.395 2 HA LYS 6 HA LYS 6 7.761 -17.634 -4.320 3 HB2 LYS 6 1HB LYS 6 6.614 -17.036 -2.301 4 HB3 LYS 6 2HB LYS 6 5.457 -18.355 -2.486 5 HG2 LYS 6 1HG LYS 6 7.153 -20.033 -2.177 6 HG3 LYS 6 2HG LYS 6 8.449 -18.831 -2.184 7 HD2 LYS 6 1HD LYS 6 6.164 -18.840 -0.154 8 HD3 LYS 6 2HD LYS 6 7.657 -19.747 0.102 9 HE2 LYS 6 1HE LYS 6 7.534 -16.717 -0.284 10 HE3 LYS 6 2HE LYS 6 7.665 -17.559 1.264 11 HZ2 LYS 6 1HZ LYS 6 9.622 -17.717 -0.911 12 HZ1 LYS 6 2HZ LYS 6 9.724 -18.493 0.540 13 HZ3 LYS 6 3HZ LYS 6 9.780 -16.846 0.477 No H/Q in entry = 13 Start of MODEL 20 1 H ILE 7 H ILE 7 8.649 -19.337 -5.269 2 HA ILE 7 HA ILE 7 6.923 -21.257 -6.658 3 HB ILE 7 HB ILE 7 9.035 -21.802 -7.863 4 HG13 ILE 7 HG12 ILE 7 10.598 -20.897 -5.979 5 HG21 ILE 7 HG21 ILE 7 8.094 -18.898 -7.840 6 HG22 ILE 7 HG22 ILE 7 8.987 -19.656 -9.160 7 HG23 ILE 7 HG23 ILE 7 7.371 -20.241 -8.746 8 HD13 ILE 7 HD11 ILE 7 11.487 -21.647 -8.120 9 HD11 ILE 7 HD12 ILE 7 11.134 -20.067 -8.855 10 HD12 ILE 7 HD13 ILE 7 12.321 -20.191 -7.549 11 HG12 ILE 7 HG11 ILE 7 10.238 -19.295 -6.629 No H/Q in entry = 11 Start of MODEL 20 1 H GLN 8 H GLN 8 6.813 -23.375 -6.318 2 HA GLN 8 HA GLN 8 8.835 -24.877 -4.811 3 HB2 GLN 8 1HB GLN 8 5.948 -24.529 -3.899 4 HB3 GLN 8 2HB GLN 8 6.948 -25.887 -3.388 5 HG2 GLN 8 1HG GLN 8 7.359 -22.931 -2.772 6 HG3 GLN 8 2HG GLN 8 6.834 -24.194 -1.668 7 HE21 GLN 8 HE21 GLN 8 8.604 -26.297 -2.213 8 HE22 GLN 8 HE22 GLN 8 10.220 -25.802 -1.762 No H/Q in entry = 8 Start of MODEL 20 1 H VAL 9 H VAL 9 9.085 -25.655 -6.988 2 HA VAL 9 HA VAL 9 6.781 -26.996 -8.264 3 HB VAL 9 HB VAL 9 9.404 -26.184 -9.441 4 HG11 VAL 9 HG11 VAL 9 7.974 -27.823 -10.747 5 HG12 VAL 9 HG12 VAL 9 6.668 -26.632 -10.722 6 HG13 VAL 9 HG13 VAL 9 8.188 -26.267 -11.562 7 HG22 VAL 9 HG21 VAL 9 8.488 -24.134 -8.606 8 HG23 VAL 9 HG22 VAL 9 8.047 -24.198 -10.320 9 HG21 VAL 9 HG23 VAL 9 6.839 -24.590 -9.084 No H/Q in entry = 9 Start of MODEL 20 1 H TYR 10 H TYR 10 7.060 -28.853 -6.850 2 HA TYR 10 HA TYR 10 9.395 -30.626 -7.333 3 HB2 TYR 10 1HB TYR 10 8.754 -31.668 -5.243 4 HB3 TYR 10 2HB TYR 10 9.069 -29.946 -5.115 5 HD1 TYR 10 HD1 TYR 10 7.280 -28.329 -4.645 6 HD2 TYR 10 HD2 TYR 10 6.527 -32.569 -4.718 7 HE1 TYR 10 HE1 TYR 10 5.085 -27.954 -3.558 8 HE2 TYR 10 HE2 TYR 10 4.362 -32.202 -3.573 9 HH TYR 10 HH TYR 10 3.146 -28.926 -2.769 No H/Q in entry = 9 Start of MODEL 20 1 H SER 11 H SER 11 9.055 -33.002 -7.305 2 HA SER 11 HA SER 11 6.748 -33.923 -8.887 3 HB2 SER 11 1HB SER 11 8.060 -36.060 -8.885 4 HB3 SER 11 2HB SER 11 8.867 -34.694 -9.650 5 HG SER 11 HG SER 11 10.252 -35.845 -8.242 No H/Q in entry = 5 Start of MODEL 20 1 H ARG 12 H ARG 12 5.176 -35.247 -8.070 2 HA ARG 12 HA ARG 12 4.902 -35.604 -5.189 3 HB2 ARG 12 1HB ARG 12 2.975 -35.091 -6.656 4 HB3 ARG 12 2HB ARG 12 3.184 -36.628 -7.491 5 HG2 ARG 12 1HG ARG 12 2.760 -37.835 -5.343 6 HG3 ARG 12 2HG ARG 12 2.546 -36.278 -4.522 7 HD2 ARG 12 1HD ARG 12 0.871 -37.345 -6.831 8 HD3 ARG 12 2HD ARG 12 0.386 -37.322 -5.130 9 HE ARG 12 HE ARG 12 1.030 -34.687 -5.712 10 HH12 ARG 12 HH11 ARG 12 -2.468 -35.819 -7.444 11 HH11 ARG 12 HH12 ARG 12 -1.315 -37.046 -6.981 12 HH21 ARG 12 HH21 ARG 12 -0.499 -33.106 -6.342 13 HH22 ARG 12 HH22 ARG 12 -2.004 -33.589 -7.090 No H/Q in entry = 13 Start of MODEL 20 1 H HIS 13 H HIS 13 4.735 -37.924 -7.945 2 HA HIS 13 HA HIS 13 5.820 -40.093 -6.294 3 HB2 HIS 13 1HB HIS 13 4.790 -39.999 -9.139 4 HB3 HIS 13 2HB HIS 13 5.286 -41.465 -8.290 5 HD1 HIS 13 HD1 HIS 13 3.671 -42.371 -6.433 6 HD2 HIS 13 HD2 HIS 13 2.308 -38.925 -8.384 7 HE1 HIS 13 HE1 HIS 13 1.221 -42.073 -5.817 No H/Q in entry = 7 Start of MODEL 20 1 HA PRO 14 HA PRO 14 9.895 -39.254 -7.712 2 HB2 PRO 14 1HB PRO 14 11.172 -41.671 -7.515 3 HB3 PRO 14 2HB PRO 14 10.584 -40.745 -6.109 4 HG2 PRO 14 1HG PRO 14 9.182 -43.033 -7.514 5 HG3 PRO 14 2HG PRO 14 9.465 -42.829 -5.762 6 HD2 PRO 14 1HD PRO 14 7.102 -42.117 -6.891 7 HD3 PRO 14 2HD PRO 14 7.835 -41.115 -5.603 No H/Q in entry = 7 Start of MODEL 20 1 H ALA 15 H ALA 15 10.565 -38.764 -9.718 2 HA ALA 15 HA ALA 15 9.766 -40.368 -12.059 3 HB2 ALA 15 1HB ALA 15 10.527 -38.455 -13.332 4 HB1 ALA 15 2HB ALA 15 9.452 -37.924 -12.025 5 HB3 ALA 15 3HB ALA 15 11.211 -37.704 -11.872 No H/Q in entry = 5 Start of MODEL 20 1 H GLU 16 H GLU 16 11.216 -42.086 -10.955 2 HA GLU 16 HA GLU 16 14.057 -41.969 -11.414 3 HB2 GLU 16 1HB GLU 16 12.078 -44.226 -10.950 4 HB3 GLU 16 2HB GLU 16 13.825 -44.489 -11.107 5 HG2 GLU 16 1HG GLU 16 14.296 -43.146 -9.159 6 HG3 GLU 16 2HG GLU 16 12.623 -42.589 -9.052 No H/Q in entry = 6 Start of MODEL 20 1 H ASN 17 H ASN 17 11.323 -43.218 -13.110 2 HA ASN 17 HA ASN 17 12.807 -43.377 -15.694 3 HB2 ASN 17 1HB ASN 17 11.013 -45.570 -14.562 4 HB3 ASN 17 2HB ASN 17 11.755 -45.578 -16.166 5 HD21 ASN 17 HD21 ASN 17 14.251 -45.254 -16.151 6 HD22 ASN 17 HD22 ASN 17 15.116 -46.191 -14.952 No H/Q in entry = 6 Start of MODEL 20 1 H GLY 18 H GLY 18 11.106 -43.953 -17.478 2 HA3 GLY 18 1HA GLY 18 9.364 -41.724 -17.643 3 HA2 GLY 18 2HA GLY 18 9.492 -43.061 -18.791 No H/Q in entry = 3 Start of MODEL 20 1 H LYS 19 H LYS 19 7.642 -41.780 -16.086 2 HA LYS 19 HA LYS 19 5.469 -43.642 -16.583 3 HB2 LYS 19 1HB LYS 19 7.088 -44.900 -15.122 4 HB3 LYS 19 2HB LYS 19 6.855 -43.677 -13.863 5 HG2 LYS 19 1HG LYS 19 4.421 -44.222 -13.818 6 HG3 LYS 19 2HG LYS 19 4.665 -45.428 -15.087 7 HD2 LYS 19 1HD LYS 19 5.817 -45.438 -12.260 8 HD3 LYS 19 2HD LYS 19 4.553 -46.498 -12.896 9 HE2 LYS 19 1HE LYS 19 7.515 -46.513 -13.626 10 HE3 LYS 19 2HE LYS 19 6.595 -47.757 -12.783 11 HZ2 LYS 19 1HZ LYS 19 6.216 -46.950 -15.576 12 HZ1 LYS 19 2HZ LYS 19 5.314 -48.079 -14.781 13 HZ3 LYS 19 3HZ LYS 19 6.921 -48.341 -15.046 No H/Q in entry = 13 Start of MODEL 20 1 H SER 20 H SER 20 3.567 -42.743 -16.044 2 HA SER 20 HA SER 20 3.279 -40.015 -15.743 3 HB2 SER 20 1HB SER 20 1.319 -42.265 -15.171 4 HB3 SER 20 2HB SER 20 0.883 -40.555 -15.344 5 HG SER 20 HG SER 20 0.671 -41.625 -17.312 No H/Q in entry = 5 Start of MODEL 20 1 H ASN 21 H ASN 21 3.967 -38.837 -14.100 2 HA ASN 21 HA ASN 21 3.185 -39.489 -11.282 3 HB2 ASN 21 1HB ASN 21 5.682 -38.132 -12.401 4 HB3 ASN 21 2HB ASN 21 5.272 -38.228 -10.683 5 HD21 ASN 21 HD21 ASN 21 7.658 -39.127 -11.181 6 HD22 ASN 21 HD22 ASN 21 7.747 -40.876 -11.211 No H/Q in entry = 6 Start of MODEL 20 1 H PHE 22 H PHE 22 2.766 -37.523 -9.991 2 HA PHE 22 HA PHE 22 1.580 -35.381 -11.642 3 HB2 PHE 22 1HB PHE 22 1.303 -36.097 -8.742 4 HB3 PHE 22 2HB PHE 22 0.625 -34.646 -9.466 5 HD1 PHE 22 HD1 PHE 22 -1.058 -34.802 -11.327 6 HD2 PHE 22 HD2 PHE 22 0.178 -38.256 -9.062 7 HE1 PHE 22 HE1 PHE 22 -3.159 -35.964 -11.942 8 HE2 PHE 22 HE2 PHE 22 -1.842 -39.469 -9.819 9 HZ PHE 22 HZ PHE 22 -3.522 -38.322 -11.247 No H/Q in entry = 9 Start of MODEL 20 1 H LEU 23 H LEU 23 2.571 -33.499 -11.974 2 HA LEU 23 HA LEU 23 4.954 -32.661 -10.541 3 HB2 LEU 23 1HB LEU 23 4.492 -32.229 -12.991 4 HB3 LEU 23 2HB LEU 23 3.149 -31.195 -12.511 5 HG LEU 23 HG LEU 23 4.707 -29.582 -11.511 6 HD11 LEU 23 HD11 LEU 23 6.901 -31.527 -12.382 7 HD13 LEU 23 HD12 LEU 23 6.510 -31.090 -10.705 8 HD12 LEU 23 HD13 LEU 23 7.155 -29.869 -11.797 9 HD22 LEU 23 HD21 LEU 23 5.874 -28.886 -13.564 10 HD21 LEU 23 HD22 LEU 23 4.221 -29.418 -13.922 11 HD23 LEU 23 HD23 LEU 23 5.596 -30.485 -14.280 No H/Q in entry = 11 Start of MODEL 20 1 H ASN 24 H ASN 24 4.936 -30.503 -9.319 2 HA ASN 24 HA ASN 24 2.269 -29.754 -8.198 3 HB2 ASN 24 1HB ASN 24 4.731 -30.473 -6.570 4 HB3 ASN 24 2HB ASN 24 3.180 -29.916 -5.937 5 HD21 ASN 24 HD21 ASN 24 1.231 -31.402 -6.787 6 HD22 ASN 24 HD22 ASN 24 1.536 -33.120 -6.647 No H/Q in entry = 6 Start of MODEL 20 1 H CYS 25 H CYS 25 2.853 -27.984 -9.799 2 HA CYS 25 HA CYS 25 4.861 -26.064 -8.831 3 HB2 CYS 25 1HB CYS 25 4.369 -26.251 -11.217 4 HB3 CYS 25 2HB CYS 25 2.727 -25.677 -10.939 No H/Q in entry = 4 Start of MODEL 20 1 H TYR 26 H TYR 26 4.331 -25.764 -6.709 2 HA TYR 26 HA TYR 26 1.624 -24.938 -5.946 3 HB2 TYR 26 1HB TYR 26 2.822 -26.678 -4.715 4 HB3 TYR 26 2HB TYR 26 4.101 -25.560 -4.314 5 HD1 TYR 26 HD1 TYR 26 0.448 -26.195 -3.919 6 HD2 TYR 26 HD2 TYR 26 3.902 -24.157 -2.348 7 HE1 TYR 26 HE1 TYR 26 -0.808 -25.670 -1.857 8 HE2 TYR 26 HE2 TYR 26 2.627 -23.568 -0.312 9 HH TYR 26 HH TYR 26 0.617 -23.739 0.812 No H/Q in entry = 9 Start of MODEL 20 1 H VAL 27 H VAL 27 1.416 -22.878 -6.795 2 HA VAL 27 HA VAL 27 3.535 -20.879 -6.354 3 HB VAL 27 HB VAL 27 1.005 -20.735 -8.033 4 HG13 VAL 27 HG11 VAL 27 1.935 -18.517 -7.428 5 HG11 VAL 27 HG12 VAL 27 3.548 -19.053 -7.936 6 HG12 VAL 27 HG13 VAL 27 2.248 -18.879 -9.131 7 HG21 VAL 27 HG21 VAL 27 3.872 -21.517 -8.715 8 HG22 VAL 27 HG22 VAL 27 2.405 -22.504 -8.911 9 HG23 VAL 27 HG23 VAL 27 2.648 -21.078 -9.924 No H/Q in entry = 9 Start of MODEL 20 1 H SER 28 H SER 28 3.378 -20.232 -4.252 2 HA SER 28 HA SER 28 0.770 -19.434 -3.141 3 HB2 SER 28 1HB SER 28 1.998 -19.482 -0.994 4 HB3 SER 28 2HB SER 28 1.941 -21.022 -1.867 5 HG SER 28 HG SER 28 4.045 -20.659 -2.574 No H/Q in entry = 5 Start of MODEL 20 1 H GLY 29 H GLY 29 0.157 -17.427 -2.737 2 HA3 GLY 29 1HA GLY 29 0.235 -15.344 -1.863 3 HA2 GLY 29 2HA GLY 29 1.906 -15.687 -1.422 No H/Q in entry = 3 Start of MODEL 20 1 H PHE 30 H PHE 30 0.319 -15.289 -4.626 2 HA PHE 30 HA PHE 30 2.228 -13.152 -5.382 3 HB2 PHE 30 1HB PHE 30 1.207 -13.430 -7.612 4 HB3 PHE 30 2HB PHE 30 2.112 -14.778 -6.964 5 HD1 PHE 30 HD1 PHE 30 -1.169 -13.644 -8.150 6 HD2 PHE 30 HD2 PHE 30 0.940 -16.841 -6.170 7 HE1 PHE 30 HE1 PHE 30 -3.225 -15.042 -8.192 8 HE2 PHE 30 HE2 PHE 30 -1.076 -18.265 -6.338 9 HZ PHE 30 HZ PHE 30 -3.197 -17.302 -7.223 No H/Q in entry = 9 Start of MODEL 20 1 H HIS 31 H HIS 31 1.514 -11.186 -4.654 2 HA HIS 31 HA HIS 31 -1.346 -10.433 -4.992 3 HB2 HIS 31 1HB HIS 31 0.794 -9.361 -3.236 4 HB3 HIS 31 2HB HIS 31 -0.681 -8.476 -3.614 5 HD1 HIS 31 HD1 HIS 31 -2.112 -8.631 -1.629 6 HD2 HIS 31 HD2 HIS 31 -0.537 -12.360 -2.713 7 HE1 HIS 31 HE1 HIS 31 -3.296 -10.379 -0.247 No H/Q in entry = 7 Start of MODEL 20 1 HA PRO 32 HA PRO 32 -2.727 -8.934 -5.785 2 HB2 PRO 32 1HB PRO 32 -3.981 -8.158 -8.021 3 HB3 PRO 32 2HB PRO 32 -3.139 -6.991 -6.965 4 HG2 PRO 32 1HG PRO 32 -2.002 -8.332 -9.448 5 HG3 PRO 32 2HG PRO 32 -2.117 -6.572 -9.132 6 HD2 PRO 32 1HD PRO 32 0.155 -7.965 -8.529 7 HD3 PRO 32 2HD PRO 32 -0.442 -6.684 -7.438 No H/Q in entry = 7 Start of MODEL 20 1 H SER 33 H SER 33 -4.582 -10.151 -7.193 2 HA SER 33 HA SER 33 -3.600 -12.830 -7.450 3 HB2 SER 33 1HB SER 33 -6.000 -13.370 -7.722 4 HB3 SER 33 2HB SER 33 -5.725 -12.281 -6.360 5 HG SER 33 HG SER 33 -7.461 -11.651 -7.753 No H/Q in entry = 5 Start of MODEL 20 1 H ASP 34 H ASP 34 -3.126 -10.603 -9.782 2 HA ASP 34 HA ASP 34 -4.534 -11.880 -12.008 3 HB2 ASP 34 1HB ASP 34 -4.442 -9.422 -11.641 4 HB3 ASP 34 2HB ASP 34 -2.701 -9.452 -11.933 No H/Q in entry = 4 Start of MODEL 20 1 H ILE 35 H ILE 35 -3.079 -13.871 -11.345 2 HA ILE 35 HA ILE 35 -0.465 -13.817 -12.711 3 HB ILE 35 HB ILE 35 -0.755 -14.614 -10.379 4 HG13 ILE 35 HG12 ILE 35 1.195 -15.067 -11.859 5 HG21 ILE 35 HG21 ILE 35 -2.861 -15.931 -10.737 6 HG22 ILE 35 HG22 ILE 35 -1.957 -17.096 -11.721 7 HG23 ILE 35 HG23 ILE 35 -1.588 -16.913 -10.008 8 HD13 ILE 35 HD11 ILE 35 2.203 -16.737 -10.442 9 HD11 ILE 35 HD12 ILE 35 1.264 -15.589 -9.478 10 HD12 ILE 35 HD13 ILE 35 0.618 -17.218 -9.803 11 HG12 ILE 35 HG11 ILE 35 0.510 -16.653 -12.226 No H/Q in entry = 11 Start of MODEL 20 1 H GLU 36 H GLU 36 0.183 -15.640 -14.062 2 HA GLU 36 HA GLU 36 -1.940 -17.164 -15.470 3 HB2 GLU 36 1HB GLU 36 0.183 -15.417 -16.726 4 HB3 GLU 36 2HB GLU 36 -0.855 -16.544 -17.615 5 HG2 GLU 36 1HG GLU 36 -2.858 -15.244 -16.804 6 HG3 GLU 36 2HG GLU 36 -1.756 -14.047 -16.102 No H/Q in entry = 6 Start of MODEL 20 1 H VAL 37 H VAL 37 -1.120 -18.850 -14.193 2 HA VAL 37 HA VAL 37 1.678 -19.735 -14.510 3 HB VAL 37 HB VAL 37 -0.547 -21.023 -12.938 4 HG12 VAL 37 HG11 VAL 37 2.487 -21.203 -12.701 5 HG13 VAL 37 HG12 VAL 37 1.308 -22.103 -11.731 6 HG11 VAL 37 HG13 VAL 37 1.478 -22.454 -13.454 7 HG22 VAL 37 HG21 VAL 37 -0.265 -18.803 -12.019 8 HG23 VAL 37 HG22 VAL 37 0.598 -19.915 -10.956 9 HG21 VAL 37 HG23 VAL 37 1.510 -18.929 -12.112 No H/Q in entry = 9 Start of MODEL 20 1 H ASP 38 H ASP 38 1.385 -20.010 -16.812 2 HA ASP 38 HA ASP 38 -0.387 -22.174 -17.795 3 HB2 ASP 38 1HB ASP 38 1.291 -20.027 -19.127 4 HB3 ASP 38 2HB ASP 38 0.477 -21.316 -20.028 No H/Q in entry = 4 Start of MODEL 20 1 H LEU 39 H LEU 39 1.131 -23.588 -16.343 2 HA LEU 39 HA LEU 39 3.757 -24.142 -17.061 3 HB2 LEU 39 1HB LEU 39 3.547 -26.229 -15.918 4 HB3 LEU 39 2HB LEU 39 2.794 -24.939 -14.993 5 HG LEU 39 HG LEU 39 1.198 -26.799 -16.803 6 HD12 LEU 39 HD11 LEU 39 0.763 -28.165 -14.749 7 HD11 LEU 39 HD12 LEU 39 1.925 -27.161 -13.858 8 HD13 LEU 39 HD13 LEU 39 2.473 -28.174 -15.212 9 HD23 LEU 39 HD21 LEU 39 -0.585 -26.296 -14.982 10 HD22 LEU 39 HD22 LEU 39 -0.244 -25.029 -16.157 11 HD21 LEU 39 HD23 LEU 39 0.451 -24.938 -14.518 No H/Q in entry = 11 Start of MODEL 20 1 H LEU 40 H LEU 40 4.772 -25.814 -18.115 2 HA LEU 40 HA LEU 40 3.420 -26.603 -20.666 3 HB2 LEU 40 1HB LEU 40 6.253 -25.582 -20.253 4 HB3 LEU 40 2HB LEU 40 5.506 -25.992 -21.799 5 HG LEU 40 HG LEU 40 4.796 -23.653 -19.991 6 HD13 LEU 40 HD11 LEU 40 5.607 -22.343 -21.924 7 HD12 LEU 40 HD12 LEU 40 5.940 -23.832 -22.812 8 HD11 LEU 40 HD13 LEU 40 6.865 -23.449 -21.345 9 HD22 LEU 40 HD21 LEU 40 2.707 -24.418 -20.986 10 HD21 LEU 40 HD22 LEU 40 3.469 -24.598 -22.573 11 HD23 LEU 40 HD23 LEU 40 3.239 -22.987 -21.848 No H/Q in entry = 11 Start of MODEL 20 1 H LYS 41 H LYS 41 4.813 -28.052 -21.969 2 HA LYS 41 HA LYS 41 6.593 -29.893 -20.583 3 HB2 LYS 41 1HB LYS 41 5.383 -31.885 -21.354 4 HB3 LYS 41 2HB LYS 41 4.513 -30.940 -20.125 5 HG2 LYS 41 1HG LYS 41 2.996 -30.046 -21.817 6 HG3 LYS 41 2HG LYS 41 3.815 -30.976 -23.083 7 HD2 LYS 41 1HD LYS 41 3.282 -33.076 -22.058 8 HD3 LYS 41 2HD LYS 41 2.620 -32.291 -20.621 9 HE2 LYS 41 1HE LYS 41 0.856 -33.123 -22.133 10 HE3 LYS 41 2HE LYS 41 0.752 -31.374 -21.898 11 HZ3 LYS 41 1HZ LYS 41 1.852 -31.084 -24.000 12 HZ2 LYS 41 2HZ LYS 41 0.474 -31.968 -24.177 13 HZ1 LYS 41 3HZ LYS 41 1.944 -32.716 -24.221 No H/Q in entry = 13 Start of MODEL 20 1 H ASN 42 H ASN 42 8.296 -29.514 -21.878 2 HA ASN 42 HA ASN 42 9.555 -29.058 -23.683 3 HB2 ASN 42 1HB ASN 42 8.959 -31.506 -23.973 4 HB3 ASN 42 2HB ASN 42 7.726 -31.018 -25.138 5 HD21 ASN 42 HD21 ASN 42 11.234 -30.931 -24.417 6 HD22 ASN 42 HD22 ASN 42 11.769 -30.855 -26.083 No H/Q in entry = 6 Start of MODEL 20 1 H GLY 43 H GLY 43 7.763 -27.054 -23.258 2 HA3 GLY 43 1HA GLY 43 7.283 -25.108 -24.391 3 HA2 GLY 43 2HA GLY 43 7.434 -25.910 -25.946 No H/Q in entry = 3 Start of MODEL 20 1 H GLU 44 H GLU 44 5.450 -28.118 -25.060 2 HA GLU 44 HA GLU 44 3.110 -26.701 -26.055 3 HB2 GLU 44 1HB GLU 44 3.479 -29.606 -25.206 4 HB3 GLU 44 2HB GLU 44 2.100 -28.945 -26.093 5 HG2 GLU 44 1HG GLU 44 4.985 -29.070 -27.095 6 HG3 GLU 44 2HG GLU 44 3.652 -30.111 -27.591 No H/Q in entry = 6 Start of MODEL 20 1 H ARG 45 H ARG 45 1.195 -26.276 -24.945 2 HA ARG 45 HA ARG 45 1.477 -25.978 -22.091 3 HB2 ARG 45 1HB ARG 45 0.261 -24.419 -23.755 4 HB3 ARG 45 2HB ARG 45 -1.085 -25.566 -23.635 5 HG2 ARG 45 1HG ARG 45 -0.945 -25.257 -21.088 6 HG3 ARG 45 2HG ARG 45 0.227 -23.966 -21.378 7 HD2 ARG 45 1HD ARG 45 -2.625 -24.062 -22.451 8 HD3 ARG 45 2HD ARG 45 -2.109 -23.185 -20.998 9 HE ARG 45 HE ARG 45 -0.454 -22.266 -23.043 10 HH12 ARG 45 HH11 ARG 45 -4.232 -20.765 -23.159 11 HH11 ARG 45 HH12 ARG 45 -3.936 -22.268 -22.321 12 HH21 ARG 45 HH21 ARG 45 -0.869 -20.284 -24.121 13 HH22 ARG 45 HH22 ARG 45 -2.492 -19.638 -24.178 No H/Q in entry = 13 Start of MODEL 20 1 H ILE 46 H ILE 46 0.398 -27.016 -20.426 2 HA ILE 46 HA ILE 46 -0.643 -29.686 -20.784 3 HB ILE 46 HB ILE 46 -0.928 -27.699 -18.499 4 HG13 ILE 46 HG12 ILE 46 0.819 -29.081 -17.368 5 HG23 ILE 46 HG21 ILE 46 -1.492 -29.640 -17.104 6 HG21 ILE 46 HG22 ILE 46 -2.660 -29.439 -18.391 7 HG22 ILE 46 HG23 ILE 46 -1.434 -30.705 -18.530 8 HD12 ILE 46 HD11 ILE 46 1.513 -30.017 -20.164 9 HD13 ILE 46 HD12 ILE 46 2.413 -30.340 -18.680 10 HD11 ILE 46 HD13 ILE 46 0.818 -31.086 -18.923 11 HG12 ILE 46 HG11 ILE 46 1.394 -28.109 -18.721 No H/Q in entry = 11 Start of MODEL 20 1 H GLU 47 H GLU 47 -2.667 -30.337 -21.186 2 HA GLU 47 HA GLU 47 -4.784 -28.382 -21.815 3 HB2 GLU 47 1HB GLU 47 -4.545 -31.405 -22.014 4 HB3 GLU 47 2HB GLU 47 -6.055 -30.529 -22.316 5 HG2 GLU 47 1HG GLU 47 -5.084 -29.293 -24.147 6 HG3 GLU 47 2HG GLU 47 -3.468 -29.928 -23.820 No H/Q in entry = 6 Start of MODEL 20 1 H LYS 48 H LYS 48 -4.443 -31.298 -19.724 2 HA LYS 48 HA LYS 48 -6.680 -30.444 -18.022 3 HB2 LYS 48 1HB LYS 48 -4.911 -32.912 -18.074 4 HB3 LYS 48 2HB LYS 48 -6.228 -32.626 -16.914 5 HG2 LYS 48 1HG LYS 48 -7.886 -32.565 -18.683 6 HG3 LYS 48 2HG LYS 48 -6.634 -32.613 -19.935 7 HD2 LYS 48 1HD LYS 48 -7.634 -34.801 -19.717 8 HD3 LYS 48 2HD LYS 48 -5.938 -34.859 -19.211 9 HE2 LYS 48 1HE LYS 48 -6.620 -34.840 -16.836 10 HE3 LYS 48 2HE LYS 48 -8.324 -34.668 -17.311 11 HZ3 LYS 48 1HZ LYS 48 -8.178 -36.802 -18.344 12 HZ2 LYS 48 2HZ LYS 48 -7.708 -36.911 -16.766 13 HZ1 LYS 48 3HZ LYS 48 -6.577 -36.934 -17.965 No H/Q in entry = 13 Start of MODEL 20 1 H VAL 49 H VAL 49 -5.506 -28.459 -17.348 2 HA VAL 49 HA VAL 49 -3.492 -28.812 -15.219 3 HB VAL 49 HB VAL 49 -5.064 -26.398 -16.183 4 HG13 VAL 49 HG11 VAL 49 -4.571 -25.989 -13.872 5 HG11 VAL 49 HG12 VAL 49 -2.933 -26.662 -14.027 6 HG12 VAL 49 HG13 VAL 49 -3.348 -25.121 -14.807 7 HG22 VAL 49 HG21 VAL 49 -3.373 -27.187 -17.808 8 HG23 VAL 49 HG22 VAL 49 -2.854 -25.667 -17.069 9 HG21 VAL 49 HG23 VAL 49 -2.144 -27.201 -16.522 No H/Q in entry = 9 Start of MODEL 20 1 H GLU 50 H GLU 50 -4.026 -29.181 -13.169 2 HA GLU 50 HA GLU 50 -6.874 -28.948 -12.263 3 HB2 GLU 50 1HB GLU 50 -4.691 -30.815 -11.287 4 HB3 GLU 50 2HB GLU 50 -6.336 -30.662 -10.638 5 HG2 GLU 50 1HG GLU 50 -7.280 -31.470 -12.750 6 HG3 GLU 50 2HG GLU 50 -5.673 -31.526 -13.494 No H/Q in entry = 6 Start of MODEL 20 1 H HIS 51 H HIS 51 -7.182 -27.503 -10.706 2 HA HIS 51 HA HIS 51 -4.840 -26.231 -9.350 3 HB2 HIS 51 1HB HIS 51 -6.019 -24.134 -9.534 4 HB3 HIS 51 2HB HIS 51 -5.738 -24.840 -11.124 5 HD1 HIS 51 HD1 HIS 51 -8.435 -23.713 -8.808 6 HD2 HIS 51 HD2 HIS 51 -8.152 -25.830 -12.409 7 HE1 HIS 51 HE1 HIS 51 -10.765 -23.810 -9.805 No H/Q in entry = 7 Start of MODEL 20 1 H SER 52 H SER 52 -5.145 -25.508 -7.226 2 HA SER 52 HA SER 52 -7.310 -26.840 -5.701 3 HB2 SER 52 1HB SER 52 -4.913 -27.100 -5.076 4 HB3 SER 52 2HB SER 52 -4.844 -25.359 -4.723 5 HG SER 52 HG SER 52 -5.264 -26.648 -2.879 No H/Q in entry = 5 Start of MODEL 20 1 H ASP 53 H ASP 53 -7.468 -24.214 -7.437 2 HA ASP 53 HA ASP 53 -8.626 -22.319 -7.446 3 HB2 ASP 53 1HB ASP 53 -10.294 -23.855 -6.276 4 HB3 ASP 53 2HB ASP 53 -9.829 -23.067 -4.760 No H/Q in entry = 4 Start of MODEL 20 1 H LEU 54 H LEU 54 -9.022 -20.177 -6.316 2 HA LEU 54 HA LEU 54 -6.501 -19.218 -5.281 3 HB2 LEU 54 1HB LEU 54 -8.088 -18.017 -6.881 4 HB3 LEU 54 2HB LEU 54 -9.152 -17.749 -5.506 5 HG LEU 54 HG LEU 54 -6.844 -16.828 -4.419 6 HD12 LEU 54 HD11 LEU 54 -6.540 -16.283 -7.417 7 HD11 LEU 54 HD12 LEU 54 -5.490 -17.332 -6.444 8 HD13 LEU 54 HD13 LEU 54 -5.541 -15.584 -6.133 9 HD22 LEU 54 HD21 LEU 54 -7.535 -14.557 -5.055 10 HD21 LEU 54 HD22 LEU 54 -8.957 -15.542 -4.663 11 HD23 LEU 54 HD23 LEU 54 -8.552 -15.206 -6.361 No H/Q in entry = 11 Start of MODEL 20 1 H SER 55 H SER 55 -6.457 -20.623 -3.386 2 HA SER 55 HA SER 55 -8.421 -20.165 -1.237 3 HB2 SER 55 1HB SER 55 -7.774 -22.458 -1.876 4 HB3 SER 55 2HB SER 55 -6.091 -22.108 -1.428 5 HG SER 55 HG SER 55 -8.375 -22.022 0.265 No H/Q in entry = 5 Start of MODEL 20 1 H PHE 56 H PHE 56 -7.944 -19.186 0.692 2 HA PHE 56 HA PHE 56 -5.548 -17.464 0.731 3 HB2 PHE 56 1HB PHE 56 -8.037 -17.437 2.462 4 HB3 PHE 56 2HB PHE 56 -6.795 -16.192 2.361 5 HD1 PHE 56 HD1 PHE 56 -9.691 -17.758 0.660 6 HD2 PHE 56 HD2 PHE 56 -6.676 -14.685 0.401 7 HE1 PHE 56 HE1 PHE 56 -10.863 -16.772 -1.286 8 HE2 PHE 56 HE2 PHE 56 -7.901 -13.671 -1.519 9 HZ PHE 56 HZ PHE 56 -9.947 -14.747 -2.396 No H/Q in entry = 9 Start of MODEL 20 1 H SER 57 H SER 57 -3.802 -18.067 1.978 2 HA SER 57 HA SER 57 -4.063 -20.175 4.007 3 HB2 SER 57 1HB SER 57 -2.079 -20.121 2.573 4 HB3 SER 57 2HB SER 57 -1.635 -18.529 3.198 5 HG SER 57 HG SER 57 -1.942 -20.918 4.694 No H/Q in entry = 5 Start of MODEL 20 1 H LYS 58 H LYS 58 -5.553 -19.199 5.364 2 HA LYS 58 HA LYS 58 -6.314 -18.126 7.150 3 HB2 LYS 58 1HB LYS 58 -3.664 -16.652 7.441 4 HB3 LYS 58 2HB LYS 58 -4.971 -16.679 8.603 5 HG2 LYS 58 1HG LYS 58 -3.771 -19.335 7.770 6 HG3 LYS 58 2HG LYS 58 -2.835 -18.250 8.787 7 HD2 LYS 58 1HD LYS 58 -4.009 -19.845 10.144 8 HD3 LYS 58 2HD LYS 58 -4.562 -18.202 10.494 9 HE2 LYS 58 1HE LYS 58 -6.642 -18.576 9.300 10 HE3 LYS 58 2HE LYS 58 -6.059 -20.138 8.670 11 HZ1 LYS 58 1HZ LYS 58 -6.549 -19.481 11.487 12 HZ3 LYS 58 2HZ LYS 58 -6.018 -20.934 10.915 13 HZ2 LYS 58 3HZ LYS 58 -7.525 -20.393 10.521 No H/Q in entry = 13 Start of MODEL 20 1 H ASP 59 H ASP 59 -4.228 -15.682 5.503 2 HA ASP 59 HA ASP 59 -6.530 -14.426 4.266 3 HB2 ASP 59 1HB ASP 59 -6.702 -13.551 6.600 4 HB3 ASP 59 2HB ASP 59 -5.044 -12.947 6.485 No H/Q in entry = 4 Start of MODEL 20 1 H GLY 60 H GLY 60 -5.934 -13.111 2.601 2 HA3 GLY 60 1HA GLY 60 -4.662 -12.218 0.939 3 HA2 GLY 60 2HA GLY 60 -3.840 -11.446 2.300 No H/Q in entry = 3 Start of MODEL 20 1 H SER 61 H SER 61 -3.895 -14.706 0.770 2 HA SER 61 HA SER 61 -1.159 -14.643 -0.089 3 HB2 SER 61 1HB SER 61 -0.427 -16.518 1.499 4 HB3 SER 61 2HB SER 61 -0.478 -14.885 2.172 5 HG SER 61 HG SER 61 -2.450 -15.346 3.122 No H/Q in entry = 5 Start of MODEL 20 1 H PHE 62 H PHE 62 -2.113 -15.286 -1.972 2 HA PHE 62 HA PHE 62 -4.165 -17.290 -2.064 3 HB2 PHE 62 1HB PHE 62 -2.703 -16.012 -4.376 4 HB3 PHE 62 2HB PHE 62 -4.323 -16.704 -4.360 5 HD1 PHE 62 HD1 PHE 62 -3.301 -13.920 -5.302 6 HD2 PHE 62 HD2 PHE 62 -5.168 -15.247 -1.650 7 HE1 PHE 62 HE1 PHE 62 -3.875 -11.574 -4.737 8 HE2 PHE 62 HE2 PHE 62 -5.702 -12.900 -1.081 9 HZ PHE 62 HZ PHE 62 -5.091 -11.065 -2.632 No H/Q in entry = 9 Start of MODEL 20 1 H TYR 63 H TYR 63 -3.403 -19.351 -1.558 2 HA TYR 63 HA TYR 63 -1.080 -20.393 -3.034 3 HB2 TYR 63 1HB TYR 63 -0.799 -21.961 -1.429 4 HB3 TYR 63 2HB TYR 63 -1.155 -20.460 -0.601 5 HD1 TYR 63 HD1 TYR 63 -2.258 -23.893 -1.298 6 HD2 TYR 63 HD2 TYR 63 -3.360 -20.183 0.580 7 HE1 TYR 63 HE1 TYR 63 -3.977 -25.084 0.031 8 HE2 TYR 63 HE2 TYR 63 -5.097 -21.378 1.901 9 HH TYR 63 HH TYR 63 -6.199 -23.360 2.244 No H/Q in entry = 9 Start of MODEL 20 1 H LEU 64 H LEU 64 -1.469 -21.265 -4.930 2 HA LEU 64 HA LEU 64 -3.687 -23.213 -5.334 3 HB2 LEU 64 1HB LEU 64 -1.860 -21.662 -7.133 4 HB3 LEU 64 2HB LEU 64 -2.854 -23.000 -7.713 5 HG LEU 64 HG LEU 64 -4.481 -21.243 -6.036 6 HD11 LEU 64 HD11 LEU 64 -3.034 -19.890 -8.319 7 HD13 LEU 64 HD12 LEU 64 -2.993 -19.501 -6.582 8 HD12 LEU 64 HD13 LEU 64 -4.495 -19.280 -7.507 9 HD22 LEU 64 HD21 LEU 64 -5.380 -22.844 -7.657 10 HD21 LEU 64 HD22 LEU 64 -4.612 -21.957 -8.995 11 HD23 LEU 64 HD23 LEU 64 -5.903 -21.195 -8.047 No H/Q in entry = 11 Start of MODEL 20 1 H LEU 65 H LEU 65 -3.159 -25.197 -6.466 2 HA LEU 65 HA LEU 65 -0.343 -26.156 -6.463 3 HB2 LEU 65 1HB LEU 65 -1.620 -27.203 -4.555 4 HB3 LEU 65 2HB LEU 65 -2.827 -27.744 -5.713 5 HG LEU 65 HG LEU 65 -0.867 -28.986 -6.908 6 HD13 LEU 65 HD11 LEU 65 1.016 -27.937 -5.710 7 HD12 LEU 65 HD12 LEU 65 0.953 -29.677 -5.382 8 HD11 LEU 65 HD13 LEU 65 0.375 -28.539 -4.159 9 HD23 LEU 65 HD21 LEU 65 -1.752 -29.885 -4.135 10 HD22 LEU 65 HD22 LEU 65 -1.163 -30.924 -5.452 11 HD21 LEU 65 HD23 LEU 65 -2.707 -30.073 -5.618 No H/Q in entry = 11 Start of MODEL 20 1 H TYR 66 H TYR 66 -0.046 -25.843 -8.669 2 HA TYR 66 HA TYR 66 -2.177 -26.582 -10.587 3 HB2 TYR 66 1HB TYR 66 0.510 -25.240 -10.906 4 HB3 TYR 66 2HB TYR 66 -0.573 -25.645 -12.232 5 HD1 TYR 66 HD1 TYR 66 -2.778 -24.528 -12.472 6 HD2 TYR 66 HD2 TYR 66 0.072 -23.298 -9.482 7 HE1 TYR 66 HE1 TYR 66 -3.818 -22.283 -12.405 8 HE2 TYR 66 HE2 TYR 66 -0.987 -21.061 -9.401 9 HH TYR 66 HH TYR 66 -3.713 -20.160 -11.543 No H/Q in entry = 9 Start of MODEL 20 1 H TYR 67 H TYR 67 -2.069 -28.891 -9.994 2 HA TYR 67 HA TYR 67 0.433 -30.282 -10.671 3 HB2 TYR 67 1HB TYR 67 -0.429 -32.173 -9.547 4 HB3 TYR 67 2HB TYR 67 -0.509 -30.744 -8.532 5 HD1 TYR 67 HD1 TYR 67 -2.788 -29.661 -8.137 6 HD2 TYR 67 HD2 TYR 67 -2.306 -33.554 -9.878 7 HE1 TYR 67 HE1 TYR 67 -5.169 -30.153 -7.672 8 HE2 TYR 67 HE2 TYR 67 -4.653 -34.098 -9.326 9 HH TYR 67 HH TYR 67 -6.848 -31.720 -7.782 No H/Q in entry = 9 Start of MODEL 20 1 H THR 68 H THR 68 0.649 -30.648 -12.829 2 HA THR 68 HA THR 68 -1.537 -31.943 -14.342 3 HB THR 68 HB THR 68 -0.188 -30.239 -15.405 4 HG1 THR 68 HG1 THR 68 -1.123 -31.989 -16.551 5 HG21 THR 68 HG21 THR 68 2.150 -32.181 -15.153 6 HG23 THR 68 HG22 THR 68 2.026 -30.567 -14.411 7 HG22 THR 68 HG23 THR 68 2.114 -30.737 -16.169 No H/Q in entry = 7 Start of MODEL 20 1 H GLU 69 H GLU 69 -1.282 -34.114 -15.190 2 HA GLU 69 HA GLU 69 0.433 -35.926 -13.615 3 HB2 GLU 69 1HB GLU 69 -1.934 -36.470 -14.096 4 HB3 GLU 69 2HB GLU 69 -1.566 -36.530 -15.822 5 HG2 GLU 69 1HG GLU 69 0.065 -38.363 -15.396 6 HG3 GLU 69 2HG GLU 69 -0.250 -38.248 -13.660 No H/Q in entry = 6 Start of MODEL 20 1 H PHE 70 H PHE 70 2.449 -34.900 -14.420 2 HA PHE 70 HA PHE 70 3.034 -34.901 -17.224 3 HB2 PHE 70 1HB PHE 70 5.141 -34.171 -16.731 4 HB3 PHE 70 2HB PHE 70 4.111 -33.365 -15.565 5 HD1 PHE 70 HD1 PHE 70 7.154 -35.163 -16.107 6 HD2 PHE 70 HD2 PHE 70 4.039 -34.576 -13.217 7 HE1 PHE 70 HE1 PHE 70 8.669 -35.945 -14.319 8 HE2 PHE 70 HE2 PHE 70 5.618 -35.208 -11.381 9 HZ PHE 70 HZ PHE 70 7.943 -35.840 -11.935 No H/Q in entry = 9 Start of MODEL 20 1 H THR 71 H THR 71 3.634 -36.527 -18.491 2 HA THR 71 HA THR 71 4.654 -39.067 -17.382 3 HB THR 71 HB THR 71 3.716 -38.327 -20.146 4 HG1 THR 71 HG1 THR 71 2.582 -39.831 -18.023 5 HG23 THR 71 HG21 THR 71 5.365 -40.168 -20.251 6 HG22 THR 71 HG22 THR 71 3.731 -40.819 -20.441 7 HG21 THR 71 HG23 THR 71 4.574 -40.980 -18.885 No H/Q in entry = 7 Start of MODEL 20 1 HA PRO 72 HA PRO 72 8.631 -37.057 -18.777 2 HB2 PRO 72 1HB PRO 72 10.345 -38.556 -17.239 3 HB3 PRO 72 2HB PRO 72 9.481 -37.115 -16.630 4 HG2 PRO 72 1HG PRO 72 8.731 -40.013 -16.282 5 HG3 PRO 72 2HG PRO 72 8.735 -38.723 -15.050 6 HD2 PRO 72 1HD PRO 72 6.485 -39.533 -16.373 7 HD3 PRO 72 2HD PRO 72 6.716 -37.837 -15.850 No H/Q in entry = 7 Start of MODEL 20 1 H THR 73 H THR 73 10.157 -37.905 -20.243 2 HA THR 73 HA THR 73 9.430 -40.543 -21.416 3 HB THR 73 HB THR 73 10.977 -38.176 -22.563 4 HG1 THR 73 HG1 THR 73 8.729 -37.878 -22.305 5 HG21 THR 73 HG21 THR 73 10.048 -40.777 -23.866 6 HG23 THR 73 HG22 THR 73 11.740 -40.326 -23.552 7 HG22 THR 73 HG23 THR 73 10.774 -39.388 -24.703 No H/Q in entry = 7 Start of MODEL 20 1 H GLU 74 H GLU 74 12.412 -38.587 -21.085 2 HA GLU 74 HA GLU 74 13.706 -40.208 -19.205 3 HB2 GLU 74 1HB GLU 74 13.915 -41.873 -21.002 4 HB3 GLU 74 2HB GLU 74 14.676 -40.697 -22.070 5 HG2 GLU 74 1HG GLU 74 15.817 -41.473 -19.341 6 HG3 GLU 74 2HG GLU 74 16.143 -42.403 -20.804 No H/Q in entry = 6 Start of MODEL 20 1 H LYS 75 H LYS 75 14.697 -38.485 -22.215 2 HA LYS 75 HA LYS 75 16.280 -36.552 -20.621 3 HB2 LYS 75 1HB LYS 75 17.152 -37.838 -22.646 4 HB3 LYS 75 2HB LYS 75 16.114 -36.805 -23.639 5 HG2 LYS 75 1HG LYS 75 17.309 -34.803 -22.522 6 HG3 LYS 75 2HG LYS 75 18.417 -35.977 -21.805 7 HD2 LYS 75 1HD LYS 75 17.912 -35.570 -24.791 8 HD3 LYS 75 2HD LYS 75 19.287 -34.924 -23.879 9 HE2 LYS 75 1HE LYS 75 19.993 -37.260 -23.320 10 HE3 LYS 75 2HE LYS 75 18.675 -37.882 -24.337 11 HZ2 LYS 75 1HZ LYS 75 20.728 -37.803 -25.506 12 HZ1 LYS 75 2HZ LYS 75 20.866 -36.178 -25.260 13 HZ3 LYS 75 3HZ LYS 75 19.639 -36.770 -26.190 No H/Q in entry = 13 Start of MODEL 20 1 H ASP 76 H ASP 76 13.600 -36.289 -20.122 2 HA ASP 76 HA ASP 76 12.438 -34.203 -21.860 3 HB2 ASP 76 1HB ASP 76 10.475 -34.503 -20.417 4 HB3 ASP 76 2HB ASP 76 11.017 -36.015 -21.143 No H/Q in entry = 4 Start of MODEL 20 1 H GLU 77 H GLU 77 11.295 -32.396 -20.620 2 HA GLU 77 HA GLU 77 12.697 -31.272 -18.336 3 HB2 GLU 77 1HB GLU 77 13.664 -29.385 -19.444 4 HB3 GLU 77 2HB GLU 77 14.337 -30.880 -20.074 5 HG2 GLU 77 1HG GLU 77 12.485 -28.939 -21.493 6 HG3 GLU 77 2HG GLU 77 14.131 -29.396 -21.885 No H/Q in entry = 6 Start of MODEL 20 1 H TYR 78 H TYR 78 10.707 -31.190 -17.382 2 HA TYR 78 HA TYR 78 8.512 -29.621 -18.572 3 HB2 TYR 78 1HB TYR 78 8.839 -31.130 -15.955 4 HB3 TYR 78 2HB TYR 78 7.426 -30.166 -16.358 5 HD1 TYR 78 HD1 TYR 78 9.479 -33.056 -17.625 6 HD2 TYR 78 HD2 TYR 78 5.642 -31.084 -17.614 7 HE1 TYR 78 HE1 TYR 78 8.555 -34.825 -19.090 8 HE2 TYR 78 HE2 TYR 78 4.721 -32.899 -19.031 9 HH TYR 78 HH TYR 78 6.658 -35.675 -20.126 No H/Q in entry = 9 Start of MODEL 20 1 H ALA 79 H ALA 79 7.663 -27.714 -17.549 2 HA ALA 79 HA ALA 79 9.202 -26.386 -15.475 3 HB2 ALA 79 1HB ALA 79 9.761 -24.408 -16.885 4 HB1 ALA 79 2HB ALA 79 10.639 -25.861 -17.404 5 HB3 ALA 79 3HB ALA 79 9.226 -25.299 -18.327 No H/Q in entry = 5 Start of MODEL 20 1 H CYS 80 H CYS 80 8.092 -24.791 -14.480 2 HA CYS 80 HA CYS 80 5.267 -24.402 -15.210 3 HB2 CYS 80 1HB CYS 80 6.074 -25.096 -12.932 4 HB3 CYS 80 2HB CYS 80 6.728 -23.469 -12.737 No H/Q in entry = 4 Start of MODEL 20 1 H ARG 81 H ARG 81 4.608 -22.516 -16.230 2 HA ARG 81 HA ARG 81 6.635 -20.468 -16.869 3 HB2 ARG 81 1HB ARG 81 5.394 -21.652 -18.643 4 HB3 ARG 81 2HB ARG 81 3.880 -20.996 -17.993 5 HG2 ARG 81 1HG ARG 81 4.641 -18.711 -18.435 6 HG3 ARG 81 2HG ARG 81 6.197 -19.320 -19.040 7 HD2 ARG 81 1HD ARG 81 4.919 -20.564 -20.822 8 HD3 ARG 81 2HD ARG 81 3.428 -19.871 -20.193 9 HE ARG 81 HE ARG 81 3.906 -17.830 -21.117 10 HH12 ARG 81 HH11 ARG 81 7.546 -18.819 -22.619 11 HH11 ARG 81 HH12 ARG 81 6.800 -19.889 -21.459 12 HH21 ARG 81 HH21 ARG 81 4.910 -16.478 -22.633 13 HH22 ARG 81 HH22 ARG 81 6.476 -16.891 -23.290 No H/Q in entry = 13 Start of MODEL 20 1 H VAL 82 H VAL 82 6.635 -19.266 -14.876 2 HA VAL 82 HA VAL 82 4.035 -18.518 -13.689 3 HB VAL 82 HB VAL 82 6.885 -18.251 -12.658 4 HG12 VAL 82 HG11 VAL 82 4.195 -17.946 -11.256 5 HG13 VAL 82 HG12 VAL 82 5.801 -17.854 -10.497 6 HG11 VAL 82 HG13 VAL 82 5.297 -16.607 -11.653 7 HG22 VAL 82 HG21 VAL 82 6.230 -20.616 -12.873 8 HG23 VAL 82 HG22 VAL 82 6.195 -20.138 -11.172 9 HG21 VAL 82 HG23 VAL 82 4.679 -20.280 -12.080 No H/Q in entry = 9 Start of MODEL 20 1 H ASN 83 H ASN 83 3.231 -16.931 -15.016 2 HA ASN 83 HA ASN 83 4.896 -14.502 -15.542 3 HB2 ASN 83 1HB ASN 83 2.366 -15.507 -16.888 4 HB3 ASN 83 2HB ASN 83 3.291 -14.065 -17.325 5 HD21 ASN 83 HD21 ASN 83 2.912 -15.562 -19.392 6 HD22 ASN 83 HD22 ASN 83 4.290 -16.567 -19.791 No H/Q in entry = 6 Start of MODEL 20 1 H HIS 84 H HIS 84 4.345 -12.669 -14.467 2 HA HIS 84 HA HIS 84 1.672 -12.327 -13.282 3 HB2 HIS 84 1HB HIS 84 3.053 -13.733 -11.681 4 HB3 HIS 84 2HB HIS 84 4.224 -12.419 -11.616 5 HD2 HIS 84 HD2 HIS 84 0.262 -12.293 -11.160 6 HE1 HIS 84 HE1 HIS 84 2.144 -10.474 -7.848 7 HE2 HIS 84 HE2 HIS 84 -0.110 -11.010 -8.922 No H/Q in entry = 7 Start of MODEL 20 1 H VAL 85 H VAL 85 1.358 -10.182 -12.433 2 HA VAL 85 HA VAL 85 2.439 -8.210 -14.145 3 HB VAL 85 HB VAL 85 1.141 -6.608 -12.818 4 HG13 VAL 85 HG11 VAL 85 -1.056 -7.534 -13.331 5 HG11 VAL 85 HG12 VAL 85 0.092 -7.926 -14.623 6 HG12 VAL 85 HG13 VAL 85 -0.381 -9.170 -13.448 7 HG21 VAL 85 HG21 VAL 85 1.440 -7.604 -10.554 8 HG22 VAL 85 HG22 VAL 85 -0.252 -7.300 -10.968 9 HG23 VAL 85 HG23 VAL 85 0.383 -8.955 -11.024 No H/Q in entry = 9 Start of MODEL 20 1 H THR 86 H THR 86 3.471 -9.176 -10.868 2 HA THR 86 HA THR 86 5.113 -6.841 -10.434 3 HB THR 86 HB THR 86 6.208 -8.143 -8.701 4 HG1 THR 86 HG1 THR 86 4.638 -10.313 -9.615 5 HG23 THR 86 HG21 THR 86 4.252 -8.601 -7.277 6 HG22 THR 86 HG22 THR 86 3.183 -8.514 -8.693 7 HG21 THR 86 HG23 THR 86 4.069 -7.078 -8.172 No H/Q in entry = 7 Start of MODEL 20 1 H LEU 87 H LEU 87 5.526 -9.892 -12.176 2 HA LEU 87 HA LEU 87 8.363 -9.382 -12.793 3 HB2 LEU 87 1HB LEU 87 6.496 -11.464 -13.964 4 HB3 LEU 87 2HB LEU 87 8.256 -11.475 -13.961 5 HG LEU 87 HG LEU 87 6.528 -11.730 -11.447 6 HD11 LEU 87 HD11 LEU 87 7.951 -13.796 -13.150 7 HD13 LEU 87 HD12 LEU 87 6.204 -13.631 -12.895 8 HD12 LEU 87 HD13 LEU 87 7.247 -14.108 -11.543 9 HD23 LEU 87 HD21 LEU 87 8.637 -12.438 -10.384 10 HD22 LEU 87 HD22 LEU 87 8.755 -10.773 -10.965 11 HD21 LEU 87 HD23 LEU 87 9.528 -12.086 -11.882 No H/Q in entry = 11 Start of MODEL 20 1 H SER 88 H SER 88 8.731 -9.867 -15.297 2 HA SER 88 HA SER 88 6.831 -8.385 -17.035 3 HB2 SER 88 1HB SER 88 9.839 -7.862 -16.891 4 HB3 SER 88 2HB SER 88 8.712 -7.182 -18.084 5 HG SER 88 HG SER 88 7.577 -6.261 -16.279 No H/Q in entry = 5 Start of MODEL 20 1 H GLN 89 H GLN 89 9.864 -10.236 -16.813 2 HA GLN 89 HA GLN 89 9.488 -11.525 -19.375 3 HB2 GLN 89 1HB GLN 89 11.557 -12.567 -18.997 4 HB3 GLN 89 2HB GLN 89 11.721 -10.927 -18.382 5 HG2 GLN 89 1HG GLN 89 11.354 -13.485 -16.745 6 HG3 GLN 89 2HG GLN 89 12.838 -12.561 -16.945 7 HE21 GLN 89 HE21 GLN 89 12.445 -10.036 -16.385 8 HE22 GLN 89 HE22 GLN 89 11.706 -9.797 -14.818 No H/Q in entry = 8 Start of MODEL 20 1 HA PRO 90 HA PRO 90 7.131 -14.931 -17.636 2 HB2 PRO 90 1HB PRO 90 7.484 -16.903 -19.514 3 HB3 PRO 90 2HB PRO 90 6.508 -15.441 -19.829 4 HG2 PRO 90 1HG PRO 90 9.393 -15.914 -20.606 5 HG3 PRO 90 2HG PRO 90 8.064 -15.308 -21.631 6 HD2 PRO 90 1HD PRO 90 9.836 -13.626 -20.406 7 HD3 PRO 90 2HD PRO 90 8.116 -13.180 -20.590 No H/Q in entry = 7 Start of MODEL 20 1 H LYS 91 H LYS 91 7.825 -16.155 -15.886 2 HA LYS 91 HA LYS 91 10.708 -16.734 -15.733 3 HB2 LYS 91 1HB LYS 91 9.496 -15.491 -13.986 4 HB3 LYS 91 2HB LYS 91 8.587 -16.955 -13.582 5 HG2 LYS 91 1HG LYS 91 10.741 -18.138 -13.136 6 HG3 LYS 91 2HG LYS 91 11.628 -16.649 -13.492 7 HD2 LYS 91 1HD LYS 91 9.558 -16.968 -11.266 8 HD3 LYS 91 2HD LYS 91 11.314 -17.082 -11.056 9 HE2 LYS 91 1HE LYS 91 11.550 -14.735 -11.912 10 HE3 LYS 91 2HE LYS 91 9.783 -14.610 -11.967 11 HZ3 LYS 91 1HZ LYS 91 9.714 -15.000 -9.639 12 HZ2 LYS 91 2HZ LYS 91 10.665 -13.699 -9.981 13 HZ1 LYS 91 3HZ LYS 91 11.357 -15.136 -9.563 No H/Q in entry = 13 Start of MODEL 20 1 H ILE 92 H ILE 92 11.179 -18.570 -16.817 2 HA ILE 92 HA ILE 92 9.397 -20.892 -16.829 3 HB ILE 92 HB ILE 92 12.202 -20.591 -17.971 4 HG13 ILE 92 HG12 ILE 92 11.020 -20.212 -20.159 5 HG21 ILE 92 HG21 ILE 92 11.417 -22.907 -17.745 6 HG22 ILE 92 HG22 ILE 92 9.920 -22.509 -18.610 7 HG23 ILE 92 HG23 ILE 92 11.485 -22.434 -19.446 8 HD11 ILE 92 HD11 ILE 92 8.660 -20.731 -19.480 9 HD12 ILE 92 HD12 ILE 92 8.677 -19.307 -18.415 10 HD13 ILE 92 HD13 ILE 92 8.861 -19.103 -20.156 11 HG12 ILE 92 HG11 ILE 92 11.032 -18.855 -19.041 No H/Q in entry = 11 Start of MODEL 20 1 H VAL 93 H VAL 93 9.282 -21.525 -14.670 2 HA VAL 93 HA VAL 93 11.647 -21.741 -13.031 3 HB VAL 93 HB VAL 93 8.850 -22.784 -12.454 4 HG11 VAL 93 HG11 VAL 93 11.296 -22.204 -10.721 5 HG12 VAL 93 HG12 VAL 93 9.675 -22.483 -10.072 6 HG13 VAL 93 HG13 VAL 93 10.498 -23.774 -10.958 7 HG21 VAL 93 HG21 VAL 93 10.123 -20.108 -11.761 8 HG22 VAL 93 HG22 VAL 93 8.756 -20.366 -12.875 9 HG23 VAL 93 HG23 VAL 93 8.563 -20.718 -11.159 No H/Q in entry = 9 Start of MODEL 20 1 H LYS 94 H LYS 94 12.945 -23.415 -12.875 2 HA LYS 94 HA LYS 94 12.506 -25.807 -14.487 3 HB2 LYS 94 1HB LYS 94 14.819 -24.994 -12.680 4 HB3 LYS 94 2HB LYS 94 14.776 -26.368 -13.804 5 HG2 LYS 94 1HG LYS 94 14.326 -24.735 -15.680 6 HG3 LYS 94 2HG LYS 94 14.578 -23.406 -14.534 7 HD2 LYS 94 1HD LYS 94 16.863 -24.151 -14.081 8 HD3 LYS 94 2HD LYS 94 16.637 -25.592 -15.094 9 HE2 LYS 94 1HE LYS 94 16.355 -24.217 -17.091 10 HE3 LYS 94 2HE LYS 94 16.445 -22.729 -16.127 11 HZ1 LYS 94 1HZ LYS 94 18.603 -24.703 -16.352 12 HZ3 LYS 94 2HZ LYS 94 18.670 -23.253 -15.570 13 HZ2 LYS 94 3HZ LYS 94 18.513 -23.298 -17.211 No H/Q in entry = 13 Start of MODEL 20 1 H TRP 95 H TRP 95 11.022 -27.104 -13.646 2 HA TRP 95 HA TRP 95 10.265 -27.931 -11.175 3 HB2 TRP 95 1HB TRP 95 9.242 -28.901 -13.071 4 HB3 TRP 95 2HB TRP 95 10.786 -29.379 -13.760 5 HD1 TRP 95 HD1 TRP 95 9.295 -30.366 -10.328 6 HE1 TRP 95 HE1 TRP 95 9.503 -32.904 -10.062 7 HE3 TRP 95 HE3 TRP 95 11.048 -31.521 -14.992 8 HZ2 TRP 95 HZ2 TRP 95 10.384 -35.136 -11.635 9 HZ3 TRP 95 HZ3 TRP 95 11.539 -33.877 -15.586 10 HH2 TRP 95 HH2 TRP 95 11.270 -35.679 -13.898 No H/Q in entry = 10 Start of MODEL 20 1 H ASP 96 H ASP 96 11.505 -28.239 -9.404 2 HA ASP 96 HA ASP 96 14.171 -29.346 -9.489 3 HB2 ASP 96 1HB ASP 96 13.994 -29.401 -7.022 4 HB3 ASP 96 2HB ASP 96 13.781 -27.826 -7.783 No H/Q in entry = 4 Start of MODEL 20 1 H ARG 97 H ARG 97 14.392 -31.263 -10.254 2 HA ARG 97 HA ARG 97 12.280 -33.295 -10.076 3 HB2 ARG 97 1HB ARG 97 13.629 -34.291 -11.988 4 HB3 ARG 97 2HB ARG 97 12.914 -32.710 -12.244 5 HG2 ARG 97 1HG ARG 97 15.120 -32.865 -13.236 6 HG3 ARG 97 2HG ARG 97 14.968 -31.547 -12.090 7 HD2 ARG 97 1HD ARG 97 17.131 -32.612 -11.861 8 HD3 ARG 97 2HD ARG 97 16.186 -32.857 -10.391 9 HE ARG 97 HE ARG 97 16.041 -34.979 -12.446 10 HH12 ARG 97 HH11 ARG 97 18.055 -35.564 -8.972 11 HH11 ARG 97 HH12 ARG 97 17.650 -33.931 -9.438 12 HH21 ARG 97 HH21 ARG 97 16.646 -37.077 -11.823 13 HH22 ARG 97 HH22 ARG 97 17.529 -37.339 -10.338 No H/Q in entry = 13 Start of MODEL 20 1 H ASP 98 H ASP 98 14.145 -32.805 -7.794 2 HA ASP 98 HA ASP 98 16.380 -34.099 -7.483 3 HB2 ASP 98 1HB ASP 98 14.177 -34.191 -5.402 4 HB3 ASP 98 2HB ASP 98 15.915 -34.340 -5.104 No H/Q in entry = 4 Start of MODEL 20 1 H MET 99 H MET 99 13.305 -35.898 -6.982 2 HA MET 99 HA MET 99 14.751 -38.438 -7.604 3 HB2 MET 99 1HB MET 99 12.531 -38.021 -5.571 4 HB3 MET 99 2HB MET 99 13.258 -39.574 -6.024 5 HG2 MET 99 1HG MET 99 15.487 -38.706 -5.251 6 HG3 MET 99 2HG MET 99 14.685 -37.248 -4.658 7 HE3 MET 99 1HE MET 99 13.139 -37.129 -2.531 8 HE1 MET 99 2HE MET 99 12.015 -38.235 -3.358 9 HE2 MET 99 3HE MET 99 12.528 -38.572 -1.694 No H/Q in entry = 9
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