NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15688 | 1yt6 | 6511 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 HT1 ALA 1 4.519 6.237 2.297 2 2H ALA 1 HT2 ALA 1 3.982 5.342 0.935 3 3H ALA 1 HT3 ALA 1 4.884 4.567 2.173 4 HA ALA 1 HA ALA 1 3.182 4.634 3.658 5 1HB ALA 1 HB1 ALA 1 2.653 7.026 3.233 6 2HB ALA 1 HB2 ALA 1 1.229 6.010 3.456 7 3HB ALA 1 HB3 ALA 1 1.702 6.524 1.836 8 H CYS 2 HN CYS 2 2.444 2.635 3.473 9 HA CYS 2 HA CYS 2 2.038 1.055 1.385 10 1HB CYS 2 HB2 CYS 2 -0.178 0.477 3.075 11 2HB CYS 2 HB1 CYS 2 1.379 -0.321 2.985 12 H LEU 3 HN LEU 3 0.313 0.379 0.043 13 HA LEU 3 HA LEU 3 -1.521 2.556 -0.627 14 1HB LEU 3 HB2 LEU 3 -0.945 0.024 -2.162 15 2HB LEU 3 HB1 LEU 3 -1.850 1.410 -2.739 16 HG LEU 3 HG LEU 3 0.926 1.949 -1.867 17 1HD1 LEU 3 HD11 LEU 3 0.624 -0.287 -3.363 18 2HD1 LEU 3 HD12 LEU 3 2.033 0.771 -3.424 19 3HD1 LEU 3 HD13 LEU 3 0.748 0.944 -4.620 20 1HD2 LEU 3 HD21 LEU 3 0.640 3.099 -4.261 21 2HD2 LEU 3 HD22 LEU 3 0.054 3.835 -2.769 22 3HD2 LEU 3 HD23 LEU 3 -1.060 2.955 -3.814 23 HA PRO 4 HA PRO 4 -5.179 0.719 0.996 24 1HB PRO 4 HB2 PRO 4 -6.463 1.272 -1.626 25 2HB PRO 4 HB1 PRO 4 -6.944 1.788 -0.006 26 1HG PRO 4 HG2 PRO 4 -5.839 3.511 -1.709 27 2HG PRO 4 HG1 PRO 4 -5.444 3.556 0.020 28 1HD PRO 4 HD2 PRO 4 -3.849 2.467 -2.265 29 2HD PRO 4 HD1 PRO 4 -3.302 3.363 -0.832 30 H TRP 5 HN TRP 5 -4.872 -0.029 -2.481 31 HA TRP 5 HA TRP 5 -5.887 -2.717 -1.977 32 1HB TRP 5 HB2 TRP 5 -5.433 -2.718 -4.641 33 2HB TRP 5 HB1 TRP 5 -6.924 -2.139 -3.909 34 HD1 TRP 5 HD1 TRP 5 -7.672 0.082 -4.900 35 HE1 TRP 5 HE1 TRP 5 -6.517 2.154 -5.898 36 HE3 TRP 5 HE3 TRP 5 -2.797 -1.358 -4.351 37 HZ2 TRP 5 HZ2 TRP 5 -3.888 3.058 -6.389 38 HZ3 TRP 5 HZ3 TRP 5 -1.023 0.167 -5.110 39 HH2 TRP 5 HH2 TRP 5 -1.559 2.330 -6.108 40 H SER 6 HN SER 6 -3.011 -1.445 -1.548 41 HA SER 6 HA SER 6 -1.624 -3.911 -1.871 42 1HB SER 6 HB2 SER 6 -0.839 -1.614 -3.684 43 2HB SER 6 HB1 SER 6 0.116 -3.076 -3.436 44 HG SER 6 HG SER 6 -1.434 -2.931 -5.312 45 H ASP 7 HN ASP 7 -1.847 -2.944 0.434 46 HA ASP 7 HA ASP 7 -0.488 -0.803 1.419 47 1HB ASP 7 HB2 ASP 7 0.028 -2.426 3.437 48 2HB ASP 7 HB1 ASP 7 -1.620 -1.926 3.076 49 H GLY 8 HN GLY 8 1.017 -4.043 1.555 50 1HA GLY 8 HA2 GLY 8 3.175 -4.675 0.987 51 2HA GLY 8 HA1 GLY 8 3.470 -3.040 0.413 52 HA PRO 9 HA PRO 9 5.859 -3.561 4.344 53 1HB PRO 9 HB2 PRO 9 8.116 -2.354 3.467 54 2HB PRO 9 HB1 PRO 9 7.775 -4.062 3.168 55 1HG PRO 9 HG2 PRO 9 7.417 -1.712 1.348 56 2HG PRO 9 HG1 PRO 9 8.080 -3.317 0.985 57 1HD PRO 9 HD2 PRO 9 5.533 -2.602 0.371 58 2HD PRO 9 HD1 PRO 9 5.994 -4.268 0.775 59 H CYS 10 HN CYS 10 4.490 -2.065 5.382 60 HA CYS 10 HA CYS 10 4.464 0.707 4.800 61 1HB CYS 10 HB2 CYS 10 3.696 -0.755 7.335 62 2HB CYS 10 HB1 CYS 10 3.322 0.930 6.988 Start of MODEL 2 1 1H ALA 1 HT1 ALA 1 4.569 6.439 2.185 2 2H ALA 1 HT2 ALA 1 4.396 5.469 0.779 3 3H ALA 1 HT3 ALA 1 5.151 4.826 2.180 4 HA ALA 1 HA ALA 1 3.184 4.818 3.373 5 1HB ALA 1 HB1 ALA 1 2.188 6.871 2.793 6 2HB ALA 1 HB2 ALA 1 1.062 5.630 2.244 7 3HB ALA 1 HB3 ALA 1 2.111 6.443 1.083 8 H CYS 2 HN CYS 2 1.200 3.432 2.913 9 HA CYS 2 HA CYS 2 2.012 1.296 1.134 10 1HB CYS 2 HB2 CYS 2 0.701 1.482 3.625 11 2HB CYS 2 HB1 CYS 2 -0.450 0.793 2.503 12 H LEU 3 HN LEU 3 0.411 0.228 -0.221 13 HA LEU 3 HA LEU 3 -0.931 2.093 -1.912 14 1HB LEU 3 HB2 LEU 3 -0.247 -0.731 -1.915 15 2HB LEU 3 HB1 LEU 3 -1.832 -0.436 -2.604 16 HG LEU 3 HG LEU 3 -0.513 1.432 -3.948 17 1HD1 LEU 3 HD11 LEU 3 1.716 0.953 -4.425 18 2HD1 LEU 3 HD12 LEU 3 1.620 -0.658 -3.715 19 3HD1 LEU 3 HD13 LEU 3 1.604 0.766 -2.675 20 1HD2 LEU 3 HD21 LEU 3 -0.471 -1.504 -4.631 21 2HD2 LEU 3 HD22 LEU 3 -0.273 -0.175 -5.775 22 3HD2 LEU 3 HD23 LEU 3 -1.804 -0.387 -4.924 23 HA PRO 4 HA PRO 4 -5.149 2.040 -0.610 24 1HB PRO 4 HB2 PRO 4 -6.041 0.603 -3.041 25 2HB PRO 4 HB1 PRO 4 -6.507 2.198 -2.445 26 1HG PRO 4 HG2 PRO 4 -4.914 1.935 -4.573 27 2HG PRO 4 HG1 PRO 4 -4.664 3.237 -3.392 28 1HD PRO 4 HD2 PRO 4 -3.178 0.656 -3.715 29 2HD PRO 4 HD1 PRO 4 -2.554 2.278 -3.344 30 H TRP 5 HN TRP 5 -3.935 -0.984 -1.913 31 HA TRP 5 HA TRP 5 -5.818 -2.473 -0.220 32 1HB TRP 5 HB2 TRP 5 -4.384 -4.327 -1.760 33 2HB TRP 5 HB1 TRP 5 -6.047 -3.808 -2.000 34 HD1 TRP 5 HD1 TRP 5 -2.510 -3.244 -3.351 35 HE1 TRP 5 HE1 TRP 5 -2.681 -2.112 -5.655 36 HE3 TRP 5 HE3 TRP 5 -7.533 -2.306 -3.420 37 HZ2 TRP 5 HZ2 TRP 5 -4.683 -0.972 -7.287 38 HZ3 TRP 5 HZ3 TRP 5 -8.498 -1.191 -5.389 39 HH2 TRP 5 HH2 TRP 5 -7.101 -0.538 -7.282 40 H SER 6 HN SER 6 -3.173 -1.063 0.437 41 HA SER 6 HA SER 6 -1.581 -1.342 2.029 42 1HB SER 6 HB2 SER 6 -1.836 -2.944 3.645 43 2HB SER 6 HB1 SER 6 -3.452 -2.941 2.940 44 HG SER 6 HG SER 6 -1.883 -4.996 3.197 45 H ASP 7 HN ASP 7 -0.934 -1.724 -0.624 46 HA ASP 7 HA ASP 7 0.932 -3.970 -0.658 47 1HB ASP 7 HB2 ASP 7 -0.686 -3.333 -2.619 48 2HB ASP 7 HB1 ASP 7 0.529 -2.113 -2.980 49 H GLY 8 HN GLY 8 2.606 -3.324 0.582 50 1HA GLY 8 HA2 GLY 8 4.740 -1.966 -0.361 51 2HA GLY 8 HA1 GLY 8 3.753 -0.680 0.320 52 HA PRO 9 HA PRO 9 6.461 -2.179 3.741 53 1HB PRO 9 HB2 PRO 9 6.771 0.266 4.890 54 2HB PRO 9 HB1 PRO 9 7.788 -0.310 3.564 55 1HG PRO 9 HG2 PRO 9 5.424 1.524 3.480 56 2HG PRO 9 HG1 PRO 9 6.971 1.652 2.623 57 1HD PRO 9 HD2 PRO 9 4.723 0.727 1.433 58 2HD PRO 9 HD1 PRO 9 6.341 0.141 0.999 59 H CYS 10 HN CYS 10 4.001 -2.954 3.994 60 HA CYS 10 HA CYS 10 2.716 -1.485 6.176 61 1HB CYS 10 HB2 CYS 10 1.797 -3.399 4.105 62 2HB CYS 10 HB1 CYS 10 0.992 -3.493 5.667 Start of MODEL 3 1 1H ALA 1 HT1 ALA 1 -2.694 4.060 5.676 2 2H ALA 1 HT2 ALA 1 -2.345 5.214 4.454 3 3H ALA 1 HT3 ALA 1 -1.073 4.531 5.382 4 HA ALA 1 HA ALA 1 -1.862 2.332 4.492 5 1HB ALA 1 HB1 ALA 1 -2.945 2.475 2.295 6 2HB ALA 1 HB2 ALA 1 -3.107 4.220 2.497 7 3HB ALA 1 HB3 ALA 1 -3.968 3.123 3.576 8 H CYS 2 HN CYS 2 -0.200 1.451 3.377 9 HA CYS 2 HA CYS 2 1.862 3.203 2.434 10 1HB CYS 2 HB2 CYS 2 1.756 0.669 3.630 11 2HB CYS 2 HB1 CYS 2 2.466 0.458 2.043 12 H LEU 3 HN LEU 3 0.838 0.218 1.110 13 HA LEU 3 HA LEU 3 1.397 1.002 -1.574 14 1HB LEU 3 HB2 LEU 3 0.404 -1.438 -0.223 15 2HB LEU 3 HB1 LEU 3 -0.027 -1.256 -1.913 16 HG LEU 3 HG LEU 3 2.447 -0.917 -2.377 17 1HD1 LEU 3 HD11 LEU 3 2.668 -0.727 0.326 18 2HD1 LEU 3 HD12 LEU 3 3.998 -1.096 -0.772 19 3HD1 LEU 3 HD13 LEU 3 3.144 -2.402 0.049 20 1HD2 LEU 3 HD21 LEU 3 2.200 -3.630 -1.261 21 2HD2 LEU 3 HD22 LEU 3 2.603 -3.103 -2.895 22 3HD2 LEU 3 HD23 LEU 3 0.920 -3.141 -2.371 23 HA PRO 4 HA PRO 4 -2.358 2.789 -3.020 24 1HB PRO 4 HB2 PRO 4 -2.298 0.834 -5.261 25 2HB PRO 4 HB1 PRO 4 -2.358 2.600 -5.310 26 1HG PRO 4 HG2 PRO 4 -0.107 1.314 -5.897 27 2HG PRO 4 HG1 PRO 4 -0.071 2.818 -4.956 28 1HD PRO 4 HD2 PRO 4 0.211 -0.012 -4.022 29 2HD PRO 4 HD1 PRO 4 1.082 1.443 -3.492 30 H TRP 5 HN TRP 5 -2.141 -0.716 -2.969 31 HA TRP 5 HA TRP 5 -5.054 -0.880 -2.582 32 1HB TRP 5 HB2 TRP 5 -4.363 -3.454 -2.982 33 2HB TRP 5 HB1 TRP 5 -4.786 -2.358 -4.292 34 HD1 TRP 5 HD1 TRP 5 -1.571 -3.559 -2.475 35 HE1 TRP 5 HE1 TRP 5 0.322 -3.679 -4.214 36 HE3 TRP 5 HE3 TRP 5 -4.088 -1.751 -6.535 37 HZ2 TRP 5 HZ2 TRP 5 0.698 -3.083 -6.949 38 HZ3 TRP 5 HZ3 TRP 5 -2.892 -1.555 -8.676 39 HH2 TRP 5 HH2 TRP 5 -0.547 -2.206 -8.877 40 H SER 6 HN SER 6 -3.188 -0.118 -0.522 41 HA SER 6 HA SER 6 -2.788 -0.504 1.678 42 1HB SER 6 HB2 SER 6 -4.421 -1.612 2.916 43 2HB SER 6 HB1 SER 6 -5.301 -1.159 1.457 44 HG SER 6 HG SER 6 -5.498 -3.197 0.948 45 H ASP 7 HN ASP 7 -0.908 -1.304 2.267 46 HA ASP 7 HA ASP 7 -0.403 -4.024 2.679 47 1HB ASP 7 HB2 ASP 7 -0.133 -3.351 -0.015 48 2HB ASP 7 HB1 ASP 7 1.518 -3.363 0.598 49 H GLY 8 HN GLY 8 1.149 -4.157 4.171 50 1HA GLY 8 HA2 GLY 8 2.388 -1.904 5.251 51 2HA GLY 8 HA1 GLY 8 2.871 -3.563 5.562 52 HA PRO 9 HA PRO 9 6.623 -3.375 3.269 53 1HB PRO 9 HB2 PRO 9 6.133 -4.835 0.928 54 2HB PRO 9 HB1 PRO 9 6.727 -5.487 2.456 55 1HG PRO 9 HG2 PRO 9 3.957 -5.456 1.356 56 2HG PRO 9 HG1 PRO 9 4.771 -6.699 2.325 57 1HD PRO 9 HD2 PRO 9 2.952 -5.067 3.409 58 2HD PRO 9 HD1 PRO 9 4.394 -5.568 4.318 59 H CYS 10 HN CYS 10 6.377 -1.118 2.861 60 HA CYS 10 HA CYS 10 5.071 -0.086 0.572 61 1HB CYS 10 HB2 CYS 10 6.588 0.943 2.790 62 2HB CYS 10 HB1 CYS 10 7.141 1.695 1.298 Start of MODEL 4 1 1H ALA 1 HT1 ALA 1 1.617 6.311 1.907 2 2H ALA 1 HT2 ALA 1 2.906 6.161 3.030 3 3H ALA 1 HT3 ALA 1 1.454 6.953 3.487 4 HA ALA 1 HA ALA 1 1.839 4.614 4.277 5 1HB ALA 1 HB1 ALA 1 -0.645 4.096 3.657 6 2HB ALA 1 HB2 ALA 1 -0.621 5.739 3.018 7 3HB ALA 1 HB3 ALA 1 -0.258 5.449 4.719 8 H CYS 2 HN CYS 2 1.032 2.402 3.655 9 HA CYS 2 HA CYS 2 2.483 1.355 1.578 10 1HB CYS 2 HB2 CYS 2 0.244 -0.355 1.974 11 2HB CYS 2 HB1 CYS 2 1.877 -0.513 2.583 12 H LEU 3 HN LEU 3 0.928 -0.307 0.071 13 HA LEU 3 HA LEU 3 0.265 1.223 -2.139 14 1HB LEU 3 HB2 LEU 3 -0.321 -1.558 -1.266 15 2HB LEU 3 HB1 LEU 3 -1.221 -0.931 -2.631 16 HG LEU 3 HG LEU 3 1.085 -2.255 -2.892 17 1HD1 LEU 3 HD11 LEU 3 0.055 0.023 -4.557 18 2HD1 LEU 3 HD12 LEU 3 -0.254 -1.701 -4.758 19 3HD1 LEU 3 HD13 LEU 3 1.353 -1.050 -5.079 20 1HD2 LEU 3 HD21 LEU 3 2.050 0.577 -3.067 21 2HD2 LEU 3 HD22 LEU 3 2.984 -0.919 -3.054 22 3HD2 LEU 3 HD23 LEU 3 2.209 -0.350 -1.575 23 HA PRO 4 HA PRO 4 -3.770 2.953 -1.847 24 1HB PRO 4 HB2 PRO 4 -4.711 1.055 -3.949 25 2HB PRO 4 HB1 PRO 4 -4.852 2.816 -3.878 26 1HG PRO 4 HG2 PRO 4 -3.062 1.672 -5.476 27 2HG PRO 4 HG1 PRO 4 -2.664 3.151 -4.581 28 1HD PRO 4 HD2 PRO 4 -1.836 0.333 -4.054 29 2HD PRO 4 HD1 PRO 4 -0.926 1.840 -3.822 30 H TRP 5 HN TRP 5 -3.922 -0.563 -2.363 31 HA TRP 5 HA TRP 5 -6.083 -0.699 -0.369 32 1HB TRP 5 HB2 TRP 5 -6.274 -3.104 -1.495 33 2HB TRP 5 HB1 TRP 5 -7.066 -1.693 -2.187 34 HD1 TRP 5 HD1 TRP 5 -3.943 -3.894 -2.710 35 HE1 TRP 5 HE1 TRP 5 -3.213 -3.684 -5.169 36 HE3 TRP 5 HE3 TRP 5 -7.220 -0.274 -4.221 37 HZ2 TRP 5 HZ2 TRP 5 -3.931 -2.179 -7.448 38 HZ3 TRP 5 HZ3 TRP 5 -7.132 0.497 -6.556 39 HH2 TRP 5 HH2 TRP 5 -5.520 -0.437 -8.135 40 H SER 6 HN SER 6 -3.375 -0.480 0.395 41 HA SER 6 HA SER 6 -1.885 -1.387 1.847 42 1HB SER 6 HB2 SER 6 -3.601 -1.930 3.351 43 2HB SER 6 HB1 SER 6 -4.261 -3.176 2.293 44 HG SER 6 HG SER 6 -2.168 -3.302 4.099 45 H ASP 7 HN ASP 7 -0.140 -2.117 0.849 46 HA ASP 7 HA ASP 7 0.282 -4.859 0.389 47 1HB ASP 7 HB2 ASP 7 -0.811 -3.351 -1.852 48 2HB ASP 7 HB1 ASP 7 0.740 -4.088 -2.242 49 H GLY 8 HN GLY 8 2.382 -5.164 0.720 50 1HA GLY 8 HA2 GLY 8 4.682 -4.796 0.206 51 2HA GLY 8 HA1 GLY 8 4.287 -3.140 -0.232 52 HA PRO 9 HA PRO 9 6.115 -3.149 4.057 53 1HB PRO 9 HB2 PRO 9 7.907 -1.165 3.618 54 2HB PRO 9 HB1 PRO 9 8.255 -2.862 3.264 55 1HG PRO 9 HG2 PRO 9 7.408 -0.674 1.404 56 2HG PRO 9 HG1 PRO 9 8.648 -1.921 1.174 57 1HD PRO 9 HD2 PRO 9 6.168 -2.104 0.093 58 2HD PRO 9 HD1 PRO 9 7.104 -3.528 0.591 59 H CYS 10 HN CYS 10 4.324 -2.272 5.045 60 HA CYS 10 HA CYS 10 3.249 0.279 4.432 61 1HB CYS 10 HB2 CYS 10 2.903 -1.660 6.695 62 2HB CYS 10 HB1 CYS 10 2.205 -0.048 6.805 Start of MODEL 5 1 1H ALA 1 HT1 ALA 1 -0.757 3.854 5.400 2 2H ALA 1 HT2 ALA 1 0.667 4.273 4.539 3 3H ALA 1 HT3 ALA 1 0.443 2.667 5.102 4 HA ALA 1 HA ALA 1 -1.210 2.230 3.597 5 1HB ALA 1 HB1 ALA 1 -1.217 5.138 2.813 6 2HB ALA 1 HB2 ALA 1 -2.361 4.416 3.944 7 3HB ALA 1 HB3 ALA 1 -2.320 3.875 2.266 8 H CYS 2 HN CYS 2 0.494 1.051 2.716 9 HA CYS 2 HA CYS 2 2.424 2.316 1.032 10 1HB CYS 2 HB2 CYS 2 2.251 -0.069 2.497 11 2HB CYS 2 HB1 CYS 2 2.440 -0.515 0.813 12 H LEU 3 HN LEU 3 0.626 -0.514 0.361 13 HA LEU 3 HA LEU 3 0.568 -0.141 -2.427 14 1HB LEU 3 HB2 LEU 3 -0.679 -2.022 -0.512 15 2HB LEU 3 HB1 LEU 3 -1.460 -1.873 -2.075 16 HG LEU 3 HG LEU 3 1.457 -2.551 -1.706 17 1HD1 LEU 3 HD11 LEU 3 0.029 -4.309 -0.785 18 2HD1 LEU 3 HD12 LEU 3 0.837 -4.836 -2.261 19 3HD1 LEU 3 HD13 LEU 3 -0.865 -4.377 -2.304 20 1HD2 LEU 3 HD21 LEU 3 1.347 -3.187 -4.056 21 2HD2 LEU 3 HD22 LEU 3 0.917 -1.490 -3.842 22 3HD2 LEU 3 HD23 LEU 3 -0.344 -2.692 -4.121 23 HA PRO 4 HA PRO 4 -2.749 2.571 -3.375 24 1HB PRO 4 HB2 PRO 4 -3.909 0.390 -5.040 25 2HB PRO 4 HB1 PRO 4 -3.522 2.057 -5.479 26 1HG PRO 4 HG2 PRO 4 -1.962 0.053 -6.272 27 2HG PRO 4 HG1 PRO 4 -1.264 1.600 -5.755 28 1HD PRO 4 HD2 PRO 4 -1.396 -1.003 -4.300 29 2HD PRO 4 HD1 PRO 4 -0.111 0.222 -4.309 30 H TRP 5 HN TRP 5 -3.881 -0.790 -2.951 31 HA TRP 5 HA TRP 5 -6.140 0.283 -1.390 32 1HB TRP 5 HB2 TRP 5 -7.161 -2.059 -2.104 33 2HB TRP 5 HB1 TRP 5 -7.282 -0.647 -3.147 34 HD1 TRP 5 HD1 TRP 5 -5.313 -3.937 -2.805 35 HE1 TRP 5 HE1 TRP 5 -4.346 -4.544 -5.112 36 HE3 TRP 5 HE3 TRP 5 -6.616 0.291 -5.369 37 HZ2 TRP 5 HZ2 TRP 5 -4.161 -3.384 -7.679 38 HZ3 TRP 5 HZ3 TRP 5 -6.006 0.462 -7.746 39 HH2 TRP 5 HH2 TRP 5 -4.803 -1.338 -8.876 40 H SER 6 HN SER 6 -3.380 -0.704 -0.597 41 HA SER 6 HA SER 6 -4.214 -2.108 1.731 42 1HB SER 6 HB2 SER 6 -3.155 -4.210 1.377 43 2HB SER 6 HB1 SER 6 -4.116 -3.911 -0.070 44 HG SER 6 HG SER 6 -1.899 -4.641 -0.420 45 H ASP 7 HN ASP 7 -1.441 -3.326 1.877 46 HA ASP 7 HA ASP 7 0.090 -0.852 2.262 47 1HB ASP 7 HB2 ASP 7 0.941 -1.685 4.371 48 2HB ASP 7 HB1 ASP 7 -0.818 -1.731 4.414 49 H GLY 8 HN GLY 8 2.243 -2.724 3.426 50 1HA GLY 8 HA2 GLY 8 3.266 -4.673 2.009 51 2HA GLY 8 HA1 GLY 8 3.398 -3.386 0.821 52 HA PRO 9 HA PRO 9 7.423 -2.999 2.806 53 1HB PRO 9 HB2 PRO 9 8.459 -1.207 1.057 54 2HB PRO 9 HB1 PRO 9 8.334 -2.933 0.696 55 1HG PRO 9 HG2 PRO 9 6.543 -0.687 -0.146 56 2HG PRO 9 HG1 PRO 9 7.148 -2.054 -1.101 57 1HD PRO 9 HD2 PRO 9 4.652 -1.996 -0.043 58 2HD PRO 9 HD1 PRO 9 5.565 -3.502 -0.263 59 H CYS 10 HN CYS 10 5.688 -1.822 4.345 60 HA CYS 10 HA CYS 10 6.726 0.901 4.685 61 1HB CYS 10 HB2 CYS 10 3.848 0.062 4.550 62 2HB CYS 10 HB1 CYS 10 4.318 1.449 5.526 Start of MODEL 6 1 1H ALA 1 HT1 ALA 1 4.072 2.264 -1.185 2 2H ALA 1 HT2 ALA 1 4.733 3.844 -1.071 3 3H ALA 1 HT3 ALA 1 3.065 3.631 -1.417 4 HA ALA 1 HA ALA 1 4.443 2.884 1.072 5 1HB ALA 1 HB1 ALA 1 3.739 4.821 2.009 6 2HB ALA 1 HB2 ALA 1 2.295 4.914 1.001 7 3HB ALA 1 HB3 ALA 1 3.862 5.387 0.343 8 H CYS 2 HN CYS 2 3.113 1.982 2.663 9 HA CYS 2 HA CYS 2 1.376 0.037 1.993 10 1HB CYS 2 HB2 CYS 2 0.435 1.047 4.477 11 2HB CYS 2 HB1 CYS 2 1.480 -0.321 4.162 12 H LEU 3 HN LEU 3 -0.256 0.336 0.592 13 HA LEU 3 HA LEU 3 -2.345 2.271 1.366 14 1HB LEU 3 HB2 LEU 3 -1.316 1.574 -1.372 15 2HB LEU 3 HB1 LEU 3 -2.866 2.354 -1.126 16 HG LEU 3 HG LEU 3 -0.327 3.535 -0.038 17 1HD1 LEU 3 HD11 LEU 3 0.188 4.578 -1.992 18 2HD1 LEU 3 HD12 LEU 3 -1.472 4.536 -2.584 19 3HD1 LEU 3 HD13 LEU 3 -0.479 3.080 -2.640 20 1HD2 LEU 3 HD21 LEU 3 -2.858 4.169 0.511 21 2HD2 LEU 3 HD22 LEU 3 -2.641 5.134 -0.949 22 3HD2 LEU 3 HD23 LEU 3 -1.568 5.369 0.431 23 HA PRO 4 HA PRO 4 -5.469 -0.821 1.388 24 1HB PRO 4 HB2 PRO 4 -6.941 0.704 -0.701 25 2HB PRO 4 HB1 PRO 4 -7.484 0.164 0.892 26 1HG PRO 4 HG2 PRO 4 -6.896 2.721 0.466 27 2HG PRO 4 HG1 PRO 4 -6.445 1.930 1.989 28 1HD PRO 4 HD2 PRO 4 -4.740 2.616 -0.372 29 2HD PRO 4 HD1 PRO 4 -4.359 2.709 1.360 30 H TRP 5 HN TRP 5 -5.477 0.363 -1.972 31 HA TRP 5 HA TRP 5 -5.754 -2.317 -2.986 32 1HB TRP 5 HB2 TRP 5 -5.197 -0.777 -5.197 33 2HB TRP 5 HB1 TRP 5 -6.803 -1.099 -4.559 34 HD1 TRP 5 HD1 TRP 5 -8.202 0.970 -3.980 35 HE1 TRP 5 HE1 TRP 5 -7.728 3.479 -3.663 36 HE3 TRP 5 HE3 TRP 5 -3.104 0.872 -4.276 37 HZ2 TRP 5 HZ2 TRP 5 -5.487 5.191 -3.551 38 HZ3 TRP 5 HZ3 TRP 5 -1.868 2.989 -4.054 39 HH2 TRP 5 HH2 TRP 5 -3.037 5.103 -3.699 40 H SER 6 HN SER 6 -3.162 -0.674 -1.834 41 HA SER 6 HA SER 6 -1.303 -2.493 -3.052 42 1HB SER 6 HB2 SER 6 0.212 -0.749 -3.920 43 2HB SER 6 HB1 SER 6 -1.342 -0.716 -4.751 44 HG SER 6 HG SER 6 -0.719 1.377 -4.180 45 H ASP 7 HN ASP 7 -1.401 -3.015 -0.750 46 HA ASP 7 HA ASP 7 -0.668 -1.289 1.301 47 1HB ASP 7 HB2 ASP 7 -1.663 -3.622 1.478 48 2HB ASP 7 HB1 ASP 7 -0.030 -4.241 1.262 49 H GLY 8 HN GLY 8 1.642 -3.627 1.772 50 1HA GLY 8 HA2 GLY 8 3.900 -3.621 0.749 51 2HA GLY 8 HA1 GLY 8 3.751 -1.871 0.685 52 HA PRO 9 HA PRO 9 5.902 -3.011 4.651 53 1HB PRO 9 HB2 PRO 9 8.121 -1.532 4.309 54 2HB PRO 9 HB1 PRO 9 7.952 -3.142 3.597 55 1HG PRO 9 HG2 PRO 9 7.593 -0.458 2.319 56 2HG PRO 9 HG1 PRO 9 8.413 -1.897 1.686 57 1HD PRO 9 HD2 PRO 9 5.869 -1.180 0.990 58 2HD PRO 9 HD1 PRO 9 6.451 -2.856 0.986 59 H CYS 10 HN CYS 10 5.205 -1.935 6.377 60 HA CYS 10 HA CYS 10 4.937 0.996 6.214 61 1HB CYS 10 HB2 CYS 10 3.065 -0.999 6.987 62 2HB CYS 10 HB1 CYS 10 3.481 -0.088 8.433 Start of MODEL 7 1 1H ALA 1 HT1 ALA 1 -0.297 1.090 6.398 2 2H ALA 1 HT2 ALA 1 1.257 0.675 5.800 3 3H ALA 1 HT3 ALA 1 0.216 -0.545 6.411 4 HA ALA 1 HA ALA 1 0.082 -0.749 4.152 5 1HB ALA 1 HB1 ALA 1 -2.220 0.944 5.110 6 2HB ALA 1 HB2 ALA 1 -2.084 -0.811 5.210 7 3HB ALA 1 HB3 ALA 1 -2.224 -0.026 3.637 8 H CYS 2 HN CYS 2 1.770 0.359 3.100 9 HA CYS 2 HA CYS 2 1.311 3.127 2.345 10 1HB CYS 2 HB2 CYS 2 3.564 1.540 2.930 11 2HB CYS 2 HB1 CYS 2 3.694 1.993 1.243 12 H LEU 3 HN LEU 3 -0.011 0.571 1.253 13 HA LEU 3 HA LEU 3 0.530 1.083 -1.595 14 1HB LEU 3 HB2 LEU 3 -0.507 -1.397 -0.230 15 2HB LEU 3 HB1 LEU 3 -0.474 -1.187 -1.970 16 HG LEU 3 HG LEU 3 1.900 -1.332 -0.115 17 1HD1 LEU 3 HD11 LEU 3 0.487 -3.375 -1.131 18 2HD1 LEU 3 HD12 LEU 3 2.226 -3.440 -0.845 19 3HD1 LEU 3 HD13 LEU 3 1.611 -3.093 -2.461 20 1HD2 LEU 3 HD21 LEU 3 2.368 0.329 -1.797 21 2HD2 LEU 3 HD22 LEU 3 1.796 -0.748 -3.070 22 3HD2 LEU 3 HD23 LEU 3 3.260 -1.146 -2.171 23 HA PRO 4 HA PRO 4 -3.528 2.987 -1.602 24 1HB PRO 4 HB2 PRO 4 -3.257 2.618 -4.531 25 2HB PRO 4 HB1 PRO 4 -3.583 4.087 -3.607 26 1HG PRO 4 HG2 PRO 4 -1.196 3.674 -4.716 27 2HG PRO 4 HG1 PRO 4 -1.343 4.437 -3.122 28 1HD PRO 4 HD2 PRO 4 -0.585 1.627 -3.818 29 2HD PRO 4 HD1 PRO 4 0.080 2.698 -2.567 30 H TRP 5 HN TRP 5 -2.685 -0.076 -2.963 31 HA TRP 5 HA TRP 5 -5.536 -0.745 -3.266 32 1HB TRP 5 HB2 TRP 5 -4.095 -2.803 -4.465 33 2HB TRP 5 HB1 TRP 5 -4.932 -1.493 -5.290 34 HD1 TRP 5 HD1 TRP 5 -1.402 -2.313 -3.927 35 HE1 TRP 5 HE1 TRP 5 0.321 -1.059 -5.369 36 HE3 TRP 5 HE3 TRP 5 -4.607 0.325 -6.906 37 HZ2 TRP 5 HZ2 TRP 5 0.320 0.804 -7.489 38 HZ3 TRP 5 HZ3 TRP 5 -3.667 1.823 -8.616 39 HH2 TRP 5 HH2 TRP 5 -1.253 2.057 -8.900 40 H SER 6 HN SER 6 -2.678 -1.420 -1.487 41 HA SER 6 HA SER 6 -4.124 -3.394 0.084 42 1HB SER 6 HB2 SER 6 -2.640 -4.468 -1.796 43 2HB SER 6 HB1 SER 6 -1.310 -4.067 -0.709 44 HG SER 6 HG SER 6 -1.825 -5.844 0.273 45 H ASP 7 HN ASP 7 -1.413 -4.070 1.300 46 HA ASP 7 HA ASP 7 -1.187 -1.629 2.922 47 1HB ASP 7 HB2 ASP 7 -0.081 -3.457 4.545 48 2HB ASP 7 HB1 ASP 7 -1.807 -3.117 4.536 49 H GLY 8 HN GLY 8 0.988 -4.423 2.770 50 1HA GLY 8 HA2 GLY 8 3.251 -4.545 2.411 51 2HA GLY 8 HA1 GLY 8 2.953 -3.414 1.101 52 HA PRO 9 HA PRO 9 5.485 -1.384 4.521 53 1HB PRO 9 HB2 PRO 9 7.905 -1.324 3.353 54 2HB PRO 9 HB1 PRO 9 7.345 -2.733 4.262 55 1HG PRO 9 HG2 PRO 9 7.399 -2.288 1.303 56 2HG PRO 9 HG1 PRO 9 7.839 -3.738 2.224 57 1HD PRO 9 HD2 PRO 9 5.431 -3.412 0.965 58 2HD PRO 9 HD1 PRO 9 5.661 -4.434 2.397 59 H CYS 10 HN CYS 10 7.248 0.510 3.931 60 HA CYS 10 HA CYS 10 5.849 2.215 1.981 61 1HB CYS 10 HB2 CYS 10 7.248 2.827 4.567 62 2HB CYS 10 HB1 CYS 10 7.045 4.079 3.347 Start of MODEL 8 1 1H ALA 1 HT1 ALA 1 1.983 6.138 4.495 2 2H ALA 1 HT2 ALA 1 1.079 7.586 4.309 3 3H ALA 1 HT3 ALA 1 2.343 7.213 3.209 4 HA ALA 1 HA ALA 1 -0.314 6.039 3.476 5 1HB ALA 1 HB1 ALA 1 0.136 6.216 0.869 6 2HB ALA 1 HB2 ALA 1 1.287 7.439 1.407 7 3HB ALA 1 HB3 ALA 1 -0.421 7.594 1.818 8 H CYS 2 HN CYS 2 -0.641 3.922 3.177 9 HA CYS 2 HA CYS 2 1.640 2.204 2.743 10 1HB CYS 2 HB2 CYS 2 -0.814 2.065 4.149 11 2HB CYS 2 HB1 CYS 2 -0.852 0.804 2.935 12 H LEU 3 HN LEU 3 0.297 0.019 1.528 13 HA LEU 3 HA LEU 3 0.674 0.568 -1.182 14 1HB LEU 3 HB2 LEU 3 -0.293 -1.664 0.426 15 2HB LEU 3 HB1 LEU 3 -1.053 -1.596 -1.152 16 HG LEU 3 HG LEU 3 1.919 -1.728 -0.626 17 1HD1 LEU 3 HD11 LEU 3 0.323 -3.780 -0.283 18 2HD1 LEU 3 HD12 LEU 3 1.860 -3.962 -1.128 19 3HD1 LEU 3 HD13 LEU 3 0.360 -3.830 -2.045 20 1HD2 LEU 3 HD21 LEU 3 1.508 -0.465 -2.631 21 2HD2 LEU 3 HD22 LEU 3 0.357 -1.673 -3.203 22 3HD2 LEU 3 HD23 LEU 3 2.068 -2.077 -3.076 23 HA PRO 4 HA PRO 4 -2.864 2.853 -2.533 24 1HB PRO 4 HB2 PRO 4 -2.716 0.997 -4.871 25 2HB PRO 4 HB1 PRO 4 -2.843 2.760 -4.841 26 1HG PRO 4 HG2 PRO 4 -0.516 1.618 -5.366 27 2HG PRO 4 HG1 PRO 4 -0.590 3.040 -4.308 28 1HD PRO 4 HD2 PRO 4 -0.219 0.165 -3.599 29 2HD PRO 4 HD1 PRO 4 0.509 1.608 -2.867 30 H TRP 5 HN TRP 5 -2.924 -0.679 -2.720 31 HA TRP 5 HA TRP 5 -5.732 -0.611 -1.922 32 1HB TRP 5 HB2 TRP 5 -5.879 -2.640 -3.702 33 2HB TRP 5 HB1 TRP 5 -6.318 -0.979 -4.083 34 HD1 TRP 5 HD1 TRP 5 -5.092 0.087 -6.080 35 HE1 TRP 5 HE1 TRP 5 -3.056 -0.540 -7.524 36 HE3 TRP 5 HE3 TRP 5 -3.430 -3.942 -3.425 37 HZ2 TRP 5 HZ2 TRP 5 -1.013 -2.490 -7.534 38 HZ3 TRP 5 HZ3 TRP 5 -1.429 -5.138 -4.214 39 HH2 TRP 5 HH2 TRP 5 -0.245 -4.424 -6.227 40 H SER 6 HN SER 6 -3.253 -1.321 -0.560 41 HA SER 6 HA SER 6 -4.102 -3.672 0.720 42 1HB SER 6 HB2 SER 6 -3.117 -4.505 -1.538 43 2HB SER 6 HB1 SER 6 -1.554 -4.126 -0.816 44 HG SER 6 HG SER 6 -1.728 -6.012 0.083 45 H ASP 7 HN ASP 7 -1.181 -4.396 1.181 46 HA ASP 7 HA ASP 7 -0.518 -2.125 2.927 47 1HB ASP 7 HB2 ASP 7 0.737 -4.124 4.200 48 2HB ASP 7 HB1 ASP 7 -0.929 -3.675 4.550 49 H GLY 8 HN GLY 8 1.344 -5.050 2.173 50 1HA GLY 8 HA2 GLY 8 3.295 -5.310 0.955 51 2HA GLY 8 HA1 GLY 8 3.117 -3.657 0.385 52 HA PRO 9 HA PRO 9 6.632 -3.877 3.466 53 1HB PRO 9 HB2 PRO 9 8.526 -2.782 1.870 54 2HB PRO 9 HB1 PRO 9 8.174 -4.514 1.881 55 1HG PRO 9 HG2 PRO 9 7.260 -2.406 -0.039 56 2HG PRO 9 HG1 PRO 9 7.848 -4.046 -0.374 57 1HD PRO 9 HD2 PRO 9 5.210 -3.405 -0.350 58 2HD PRO 9 HD1 PRO 9 5.815 -5.009 0.112 59 H CYS 10 HN CYS 10 4.758 -2.128 3.933 60 HA CYS 10 HA CYS 10 5.298 0.565 3.237 61 1HB CYS 10 HB2 CYS 10 3.679 -0.648 5.480 62 2HB CYS 10 HB1 CYS 10 3.751 1.082 5.164 Start of MODEL 9 1 1H ALA 1 HT1 ALA 1 0.434 -0.481 6.094 2 2H ALA 1 HT2 ALA 1 1.464 0.760 5.507 3 3H ALA 1 HT3 ALA 1 1.290 -0.702 4.625 4 HA ALA 1 HA ALA 1 -0.841 -0.224 3.992 5 1HB ALA 1 HB1 ALA 1 -2.302 1.059 5.128 6 2HB ALA 1 HB2 ALA 1 -1.106 2.309 5.468 7 3HB ALA 1 HB3 ALA 1 -1.152 0.844 6.447 8 H CYS 2 HN CYS 2 1.692 0.365 2.959 9 HA CYS 2 HA CYS 2 1.555 3.094 1.975 10 1HB CYS 2 HB2 CYS 2 3.608 1.267 2.597 11 2HB CYS 2 HB1 CYS 2 3.702 1.560 0.874 12 H LEU 3 HN LEU 3 -0.155 0.666 1.175 13 HA LEU 3 HA LEU 3 0.199 0.983 -1.730 14 1HB LEU 3 HB2 LEU 3 -0.154 -1.424 -0.081 15 2HB LEU 3 HB1 LEU 3 -1.185 -1.359 -1.497 16 HG LEU 3 HG LEU 3 1.511 -0.652 -2.221 17 1HD1 LEU 3 HD11 LEU 3 2.167 -3.214 -1.841 18 2HD1 LEU 3 HD12 LEU 3 1.179 -2.957 -0.403 19 3HD1 LEU 3 HD13 LEU 3 2.585 -1.935 -0.701 20 1HD2 LEU 3 HD21 LEU 3 0.228 -1.386 -3.968 21 2HD2 LEU 3 HD22 LEU 3 -0.570 -2.630 -3.006 22 3HD2 LEU 3 HD23 LEU 3 1.085 -2.874 -3.565 23 HA PRO 4 HA PRO 4 -3.825 2.946 -1.431 24 1HB PRO 4 HB2 PRO 4 -3.818 2.341 -4.345 25 2HB PRO 4 HB1 PRO 4 -4.121 3.871 -3.514 26 1HG PRO 4 HG2 PRO 4 -1.818 3.455 -4.773 27 2HG PRO 4 HG1 PRO 4 -1.859 4.308 -3.218 28 1HD PRO 4 HD2 PRO 4 -1.061 1.489 -3.816 29 2HD PRO 4 HD1 PRO 4 -0.350 2.644 -2.669 30 H TRP 5 HN TRP 5 -3.253 -0.007 -3.291 31 HA TRP 5 HA TRP 5 -6.005 -0.863 -2.687 32 1HB TRP 5 HB2 TRP 5 -5.325 -2.591 -4.603 33 2HB TRP 5 HB1 TRP 5 -5.990 -1.003 -4.968 34 HD1 TRP 5 HD1 TRP 5 -2.508 -2.688 -4.666 35 HE1 TRP 5 HE1 TRP 5 -0.930 -1.553 -6.352 36 HE3 TRP 5 HE3 TRP 5 -5.668 0.918 -6.432 37 HZ2 TRP 5 HZ2 TRP 5 -1.014 0.590 -8.188 38 HZ3 TRP 5 HZ3 TRP 5 -4.843 2.472 -8.151 39 HH2 TRP 5 HH2 TRP 5 -2.563 2.311 -9.009 40 H SER 6 HN SER 6 -3.241 -1.150 -1.242 41 HA SER 6 HA SER 6 -3.795 -3.754 -0.193 42 1HB SER 6 HB2 SER 6 -2.287 -3.944 -2.363 43 2HB SER 6 HB1 SER 6 -1.007 -3.475 -1.244 44 HG SER 6 HG SER 6 -2.752 -5.701 -1.004 45 H ASP 7 HN ASP 7 -0.906 -3.876 0.705 46 HA ASP 7 HA ASP 7 -0.989 -1.657 2.633 47 1HB ASP 7 HB2 ASP 7 -0.776 -4.574 3.089 48 2HB ASP 7 HB1 ASP 7 0.301 -3.567 4.052 49 H GLY 8 HN GLY 8 1.436 -4.214 2.358 50 1HA GLY 8 HA2 GLY 8 3.725 -4.050 2.146 51 2HA GLY 8 HA1 GLY 8 3.314 -3.133 0.706 52 HA PRO 9 HA PRO 9 4.307 -0.092 4.403 53 1HB PRO 9 HB2 PRO 9 6.287 -1.044 6.011 54 2HB PRO 9 HB1 PRO 9 4.568 -1.235 6.375 55 1HG PRO 9 HG2 PRO 9 6.475 -3.190 5.148 56 2HG PRO 9 HG1 PRO 9 5.233 -3.463 6.384 57 1HD PRO 9 HD2 PRO 9 4.851 -4.106 3.789 58 2HD PRO 9 HD1 PRO 9 3.526 -3.549 4.832 59 H CYS 10 HN CYS 10 5.530 1.441 3.518 60 HA CYS 10 HA CYS 10 7.538 0.981 1.635 61 1HB CYS 10 HB2 CYS 10 6.863 3.410 3.290 62 2HB CYS 10 HB1 CYS 10 8.128 3.424 2.067 Start of MODEL 10 1 1H ALA 1 HT1 ALA 1 2.132 5.021 3.992 2 2H ALA 1 HT2 ALA 1 3.477 6.081 3.882 3 3H ALA 1 HT3 ALA 1 3.684 4.399 3.615 4 HA ALA 1 HA ALA 1 1.862 5.989 1.974 5 1HB ALA 1 HB1 ALA 1 4.349 6.843 2.155 6 2HB ALA 1 HB2 ALA 1 3.516 6.768 0.603 7 3HB ALA 1 HB3 ALA 1 4.649 5.495 1.059 8 H CYS 2 HN CYS 2 1.417 3.407 2.866 9 HA CYS 2 HA CYS 2 2.477 1.448 1.114 10 1HB CYS 2 HB2 CYS 2 0.887 1.540 3.446 11 2HB CYS 2 HB1 CYS 2 -0.048 0.692 2.231 12 H LEU 3 HN LEU 3 0.516 -0.024 0.133 13 HA LEU 3 HA LEU 3 -0.434 1.535 -2.093 14 1HB LEU 3 HB2 LEU 3 -0.290 -1.333 -1.365 15 2HB LEU 3 HB1 LEU 3 -1.557 -0.879 -2.482 16 HG LEU 3 HG LEU 3 0.951 -1.613 -3.209 17 1HD1 LEU 3 HD11 LEU 3 -0.054 0.266 -5.133 18 2HD1 LEU 3 HD12 LEU 3 -1.375 -0.672 -4.438 19 3HD1 LEU 3 HD13 LEU 3 -0.013 -1.496 -5.196 20 1HD2 LEU 3 HD21 LEU 3 1.815 0.525 -2.176 21 2HD2 LEU 3 HD22 LEU 3 0.977 1.382 -3.470 22 3HD2 LEU 3 HD23 LEU 3 2.262 0.238 -3.858 23 HA PRO 4 HA PRO 4 -4.569 2.537 -0.971 24 1HB PRO 4 HB2 PRO 4 -5.403 0.998 -3.394 25 2HB PRO 4 HB1 PRO 4 -5.837 2.640 -2.904 26 1HG PRO 4 HG2 PRO 4 -4.062 2.279 -4.828 27 2HG PRO 4 HG1 PRO 4 -3.787 3.523 -3.591 28 1HD PRO 4 HD2 PRO 4 -2.552 0.811 -3.860 29 2HD PRO 4 HD1 PRO 4 -1.808 2.343 -3.358 30 H TRP 5 HN TRP 5 -4.084 -0.773 -2.142 31 HA TRP 5 HA TRP 5 -6.152 -1.695 -0.269 32 1HB TRP 5 HB2 TRP 5 -5.289 -3.829 -1.946 33 2HB TRP 5 HB1 TRP 5 -6.857 -3.035 -1.911 34 HD1 TRP 5 HD1 TRP 5 -7.423 -1.365 -3.874 35 HE1 TRP 5 HE1 TRP 5 -6.275 -0.834 -6.116 36 HE3 TRP 5 HE3 TRP 5 -2.907 -3.580 -3.011 37 HZ2 TRP 5 HZ2 TRP 5 -3.776 -1.296 -7.355 38 HZ3 TRP 5 HZ3 TRP 5 -1.189 -3.498 -4.771 39 HH2 TRP 5 HH2 TRP 5 -1.616 -2.376 -6.899 40 H SER 6 HN SER 6 -3.534 -0.950 0.607 41 HA SER 6 HA SER 6 -1.881 -1.676 1.988 42 1HB SER 6 HB2 SER 6 -3.495 -2.677 3.387 43 2HB SER 6 HB1 SER 6 -3.832 -3.959 2.224 44 HG SER 6 HG SER 6 -2.514 -4.649 3.992 45 H ASP 7 HN ASP 7 -0.109 -1.862 0.741 46 HA ASP 7 HA ASP 7 0.924 -4.431 0.170 47 1HB ASP 7 HB2 ASP 7 -0.624 -3.163 -1.934 48 2HB ASP 7 HB1 ASP 7 1.040 -3.440 -2.440 49 H GLY 8 HN GLY 8 3.005 -4.177 0.603 50 1HA GLY 8 HA2 GLY 8 5.096 -3.184 -0.328 51 2HA GLY 8 HA1 GLY 8 4.290 -1.631 -0.169 52 HA PRO 9 HA PRO 9 6.568 -1.806 3.729 53 1HB PRO 9 HB2 PRO 9 6.581 0.827 4.232 54 2HB PRO 9 HB1 PRO 9 7.613 0.124 2.980 55 1HG PRO 9 HG2 PRO 9 5.001 1.558 2.697 56 2HG PRO 9 HG1 PRO 9 6.473 1.710 1.720 57 1HD PRO 9 HD2 PRO 9 4.294 0.208 0.990 58 2HD PRO 9 HD1 PRO 9 5.949 -0.110 0.433 59 H CYS 10 HN CYS 10 4.071 -2.739 3.966 60 HA CYS 10 HA CYS 10 2.535 -0.990 5.713 61 1HB CYS 10 HB2 CYS 10 2.015 -3.585 4.317 62 2HB CYS 10 HB1 CYS 10 1.028 -3.147 5.707 Start of MODEL 11 1 1H ALA 1 HT1 ALA 1 1.225 -0.556 5.363 2 2H ALA 1 HT2 ALA 1 2.297 0.627 4.731 3 3H ALA 1 HT3 ALA 1 1.713 -0.632 3.722 4 HA ALA 1 HA ALA 1 -0.399 0.211 3.664 5 1HB ALA 1 HB1 ALA 1 -0.665 0.672 6.020 6 2HB ALA 1 HB2 ALA 1 -1.114 2.096 5.080 7 3HB ALA 1 HB3 ALA 1 0.443 2.040 5.906 8 H CYS 2 HN CYS 2 1.780 0.606 2.054 9 HA CYS 2 HA CYS 2 2.030 3.437 1.607 10 1HB CYS 2 HB2 CYS 2 3.689 1.202 1.225 11 2HB CYS 2 HB1 CYS 2 3.350 1.849 -0.367 12 H LEU 3 HN LEU 3 0.007 1.044 0.645 13 HA LEU 3 HA LEU 3 -1.038 2.709 -1.491 14 1HB LEU 3 HB2 LEU 3 -0.045 -0.088 -1.907 15 2HB LEU 3 HB1 LEU 3 -1.260 0.618 -2.955 16 HG LEU 3 HG LEU 3 1.541 1.655 -2.528 17 1HD1 LEU 3 HD11 LEU 3 1.782 -0.168 -3.924 18 2HD1 LEU 3 HD12 LEU 3 1.551 1.154 -5.069 19 3HD1 LEU 3 HD13 LEU 3 0.209 0.076 -4.685 20 1HD2 LEU 3 HD21 LEU 3 0.146 3.538 -2.867 21 2HD2 LEU 3 HD22 LEU 3 -0.769 2.719 -4.133 22 3HD2 LEU 3 HD23 LEU 3 0.907 3.190 -4.419 23 HA PRO 4 HA PRO 4 -4.952 1.605 0.228 24 1HB PRO 4 HB2 PRO 4 -5.943 1.649 -2.572 25 2HB PRO 4 HB1 PRO 4 -6.509 2.553 -1.163 26 1HG PRO 4 HG2 PRO 4 -5.101 3.761 -3.068 27 2HG PRO 4 HG1 PRO 4 -4.838 4.155 -1.358 28 1HD PRO 4 HD2 PRO 4 -3.197 2.444 -3.185 29 2HD PRO 4 HD1 PRO 4 -2.669 3.603 -1.947 30 H TRP 5 HN TRP 5 -4.574 0.106 -2.985 31 HA TRP 5 HA TRP 5 -5.766 -2.349 -1.938 32 1HB TRP 5 HB2 TRP 5 -5.374 -2.877 -4.577 33 2HB TRP 5 HB1 TRP 5 -6.831 -2.142 -3.922 34 HD1 TRP 5 HD1 TRP 5 -7.530 0.044 -5.052 35 HE1 TRP 5 HE1 TRP 5 -6.377 1.812 -6.524 36 HE3 TRP 5 HE3 TRP 5 -2.757 -1.769 -4.905 37 HZ2 TRP 5 HZ2 TRP 5 -3.785 2.365 -7.494 38 HZ3 TRP 5 HZ3 TRP 5 -0.997 -0.563 -6.131 39 HH2 TRP 5 HH2 TRP 5 -1.502 1.462 -7.398 40 H SER 6 HN SER 6 -3.052 -1.528 -1.245 41 HA SER 6 HA SER 6 -1.757 -3.994 -1.394 42 1HB SER 6 HB2 SER 6 0.057 -3.558 -2.945 43 2HB SER 6 HB1 SER 6 -1.477 -3.380 -3.793 44 HG SER 6 HG SER 6 0.450 -1.506 -3.199 45 H ASP 7 HN ASP 7 -2.240 -2.403 0.668 46 HA ASP 7 HA ASP 7 -0.848 -0.392 1.604 47 1HB ASP 7 HB2 ASP 7 -1.324 -3.050 2.917 48 2HB ASP 7 HB1 ASP 7 -0.475 -1.773 3.781 49 H GLY 8 HN GLY 8 0.728 -3.448 2.465 50 1HA GLY 8 HA2 GLY 8 2.935 -4.072 2.437 51 2HA GLY 8 HA1 GLY 8 3.131 -2.995 1.064 52 HA PRO 9 HA PRO 9 4.516 -0.958 5.261 53 1HB PRO 9 HB2 PRO 9 6.539 -2.439 6.287 54 2HB PRO 9 HB1 PRO 9 4.852 -2.672 6.760 55 1HG PRO 9 HG2 PRO 9 6.502 -4.225 4.803 56 2HG PRO 9 HG1 PRO 9 5.375 -4.820 6.036 57 1HD PRO 9 HD2 PRO 9 4.705 -4.614 3.416 58 2HD PRO 9 HD1 PRO 9 3.526 -4.405 4.726 59 H CYS 10 HN CYS 10 5.406 0.614 3.979 60 HA CYS 10 HA CYS 10 7.584 0.233 2.225 61 1HB CYS 10 HB2 CYS 10 6.026 2.508 3.250 62 2HB CYS 10 HB1 CYS 10 7.687 2.903 2.823 Start of MODEL 12 1 1H ALA 1 HT1 ALA 1 3.686 5.903 0.237 2 2H ALA 1 HT2 ALA 1 3.903 7.038 1.506 3 3H ALA 1 HT3 ALA 1 2.340 6.769 0.851 4 HA ALA 1 HA ALA 1 3.985 4.902 2.415 5 1HB ALA 1 HB1 ALA 1 2.446 6.892 3.345 6 2HB ALA 1 HB2 ALA 1 2.653 5.354 4.183 7 3HB ALA 1 HB3 ALA 1 1.228 5.627 3.181 8 H CYS 2 HN CYS 2 2.576 2.989 3.086 9 HA CYS 2 HA CYS 2 2.121 1.250 1.137 10 1HB CYS 2 HB2 CYS 2 -0.036 0.791 2.936 11 2HB CYS 2 HB1 CYS 2 1.523 -0.005 2.854 12 H LEU 3 HN LEU 3 0.374 0.473 -0.108 13 HA LEU 3 HA LEU 3 -1.466 2.584 -0.925 14 1HB LEU 3 HB2 LEU 3 -0.748 -0.078 -2.141 15 2HB LEU 3 HB1 LEU 3 -1.998 0.965 -2.789 16 HG LEU 3 HG LEU 3 0.812 1.960 -2.432 17 1HD1 LEU 3 HD11 LEU 3 0.390 -0.229 -3.911 18 2HD1 LEU 3 HD12 LEU 3 1.559 1.018 -4.347 19 3HD1 LEU 3 HD13 LEU 3 -0.038 1.006 -5.096 20 1HD2 LEU 3 HD21 LEU 3 -1.302 3.399 -2.929 21 2HD2 LEU 3 HD22 LEU 3 -1.122 2.758 -4.562 22 3HD2 LEU 3 HD23 LEU 3 0.187 3.684 -3.829 23 HA PRO 4 HA PRO 4 -5.099 1.014 1.003 24 1HB PRO 4 HB2 PRO 4 -6.502 1.286 -1.593 25 2HB PRO 4 HB1 PRO 4 -6.865 2.032 -0.034 26 1HG PRO 4 HG2 PRO 4 -5.811 3.459 -2.028 27 2HG PRO 4 HG1 PRO 4 -5.331 3.739 -0.344 28 1HD PRO 4 HD2 PRO 4 -3.879 2.277 -2.514 29 2HD PRO 4 HD1 PRO 4 -3.240 3.360 -1.260 30 H TRP 5 HN TRP 5 -4.839 -0.145 -2.360 31 HA TRP 5 HA TRP 5 -5.814 -2.767 -1.471 32 1HB TRP 5 HB2 TRP 5 -5.739 -2.997 -4.173 33 2HB TRP 5 HB1 TRP 5 -7.140 -2.425 -3.276 34 HD1 TRP 5 HD1 TRP 5 -8.131 -0.285 -4.242 35 HE1 TRP 5 HE1 TRP 5 -7.253 1.724 -5.589 36 HE3 TRP 5 HE3 TRP 5 -3.189 -1.567 -4.482 37 HZ2 TRP 5 HZ2 TRP 5 -4.791 2.644 -6.618 38 HZ3 TRP 5 HZ3 TRP 5 -1.638 -0.069 -5.667 39 HH2 TRP 5 HH2 TRP 5 -2.424 1.993 -6.713 40 H SER 6 HN SER 6 -3.100 -1.808 -1.013 41 HA SER 6 HA SER 6 -1.646 -4.104 -1.517 42 1HB SER 6 HB2 SER 6 -1.642 -3.674 -3.864 43 2HB SER 6 HB1 SER 6 -1.257 -1.970 -3.622 44 HG SER 6 HG SER 6 0.788 -2.459 -3.412 45 H ASP 7 HN ASP 7 -1.741 -2.840 0.709 46 HA ASP 7 HA ASP 7 -0.315 -0.654 1.390 47 1HB ASP 7 HB2 ASP 7 0.418 -2.089 3.476 48 2HB ASP 7 HB1 ASP 7 -1.272 -1.665 3.223 49 H GLY 8 HN GLY 8 1.250 -3.869 1.534 50 1HA GLY 8 HA2 GLY 8 3.348 -4.456 0.679 51 2HA GLY 8 HA1 GLY 8 3.621 -2.772 0.257 52 HA PRO 9 HA PRO 9 6.394 -3.462 3.825 53 1HB PRO 9 HB2 PRO 9 8.070 -1.404 3.216 54 2HB PRO 9 HB1 PRO 9 8.207 -3.011 2.492 55 1HG PRO 9 HG2 PRO 9 6.950 -0.532 1.381 56 2HG PRO 9 HG1 PRO 9 7.985 -1.722 0.571 57 1HD PRO 9 HD2 PRO 9 5.298 -1.712 0.286 58 2HD PRO 9 HD1 PRO 9 6.249 -3.211 0.264 59 H CYS 10 HN CYS 10 5.205 -2.813 5.550 60 HA CYS 10 HA CYS 10 5.422 -0.073 6.379 61 1HB CYS 10 HB2 CYS 10 2.842 -1.168 5.367 62 2HB CYS 10 HB1 CYS 10 2.791 -0.129 6.787 Start of MODEL 13 1 1H ALA 1 HT1 ALA 1 3.078 6.389 4.571 2 2H ALA 1 HT2 ALA 1 2.909 4.683 4.646 3 3H ALA 1 HT3 ALA 1 1.576 5.660 4.184 4 HA ALA 1 HA ALA 1 2.458 6.167 2.167 5 1HB ALA 1 HB1 ALA 1 4.640 6.854 2.748 6 2HB ALA 1 HB2 ALA 1 4.841 5.523 1.610 7 3HB ALA 1 HB3 ALA 1 5.072 5.249 3.337 8 H CYS 2 HN CYS 2 1.151 3.863 3.378 9 HA CYS 2 HA CYS 2 2.225 1.541 2.049 10 1HB CYS 2 HB2 CYS 2 0.527 2.061 4.247 11 2HB CYS 2 HB1 CYS 2 -0.422 1.168 3.075 12 H LEU 3 HN LEU 3 0.685 0.175 0.729 13 HA LEU 3 HA LEU 3 -0.480 1.870 -1.329 14 1HB LEU 3 HB2 LEU 3 0.858 -0.633 -1.286 15 2HB LEU 3 HB1 LEU 3 -0.750 -0.907 -1.931 16 HG LEU 3 HG LEU 3 1.023 1.268 -3.009 17 1HD1 LEU 3 HD11 LEU 3 0.844 -1.257 -4.506 18 2HD1 LEU 3 HD12 LEU 3 1.830 -1.306 -3.044 19 3HD1 LEU 3 HD13 LEU 3 2.195 -0.139 -4.315 20 1HD2 LEU 3 HD21 LEU 3 -1.557 0.018 -3.722 21 2HD2 LEU 3 HD22 LEU 3 -0.472 0.409 -5.057 22 3HD2 LEU 3 HD23 LEU 3 -0.995 1.675 -3.945 23 HA PRO 4 HA PRO 4 -4.610 1.404 0.332 24 1HB PRO 4 HB2 PRO 4 -5.350 2.007 -2.485 25 2HB PRO 4 HB1 PRO 4 -5.880 2.788 -0.991 26 1HG PRO 4 HG2 PRO 4 -4.136 3.990 -2.596 27 2HG PRO 4 HG1 PRO 4 -3.959 4.084 -0.834 28 1HD PRO 4 HD2 PRO 4 -2.462 2.405 -2.804 29 2HD PRO 4 HD1 PRO 4 -1.869 3.248 -1.358 30 H TRP 5 HN TRP 5 -3.760 0.074 -2.839 31 HA TRP 5 HA TRP 5 -5.865 -1.873 -2.807 32 1HB TRP 5 HB2 TRP 5 -3.517 -2.244 -4.595 33 2HB TRP 5 HB1 TRP 5 -5.234 -2.383 -4.952 34 HD1 TRP 5 HD1 TRP 5 -2.554 -0.426 -6.100 35 HE1 TRP 5 HE1 TRP 5 -3.243 1.947 -6.814 36 HE3 TRP 5 HE3 TRP 5 -7.095 -0.168 -3.772 37 HZ2 TRP 5 HZ2 TRP 5 -5.422 3.699 -6.438 38 HZ3 TRP 5 HZ3 TRP 5 -8.419 1.894 -3.996 39 HH2 TRP 5 HH2 TRP 5 -7.598 3.787 -5.301 40 H SER 6 HN SER 6 -2.557 -1.750 -1.775 41 HA SER 6 HA SER 6 -2.812 -4.208 -0.345 42 1HB SER 6 HB2 SER 6 -0.973 -4.114 -2.747 43 2HB SER 6 HB1 SER 6 -0.862 -5.329 -1.473 44 HG SER 6 HG SER 6 -2.911 -4.916 -3.362 45 H ASP 7 HN ASP 7 -2.156 -3.212 1.484 46 HA ASP 7 HA ASP 7 -0.435 -1.206 1.953 47 1HB ASP 7 HB2 ASP 7 0.225 -2.569 4.103 48 2HB ASP 7 HB1 ASP 7 -1.423 -1.992 3.884 49 H GLY 8 HN GLY 8 0.712 -4.589 2.150 50 1HA GLY 8 HA2 GLY 8 2.827 -5.460 1.918 51 2HA GLY 8 HA1 GLY 8 2.891 -4.435 0.494 52 HA PRO 9 HA PRO 9 6.335 -2.491 2.526 53 1HB PRO 9 HB2 PRO 9 6.564 -0.301 0.934 54 2HB PRO 9 HB1 PRO 9 7.103 -1.911 0.441 55 1HG PRO 9 HG2 PRO 9 4.569 -0.470 -0.239 56 2HG PRO 9 HG1 PRO 9 5.625 -1.433 -1.289 57 1HD PRO 9 HD2 PRO 9 3.325 -2.411 -0.253 58 2HD PRO 9 HD1 PRO 9 4.744 -3.433 -0.553 59 H CYS 10 HN CYS 10 5.603 -1.829 4.512 60 HA CYS 10 HA CYS 10 4.332 0.828 4.610 61 1HB CYS 10 HB2 CYS 10 3.389 -1.634 5.677 62 2HB CYS 10 HB1 CYS 10 3.850 -0.612 7.035 Start of MODEL 14 1 1H ALA 1 HT1 ALA 1 -2.666 0.669 4.584 2 2H ALA 1 HT2 ALA 1 -2.404 0.503 2.896 3 3H ALA 1 HT3 ALA 1 -3.029 1.971 3.529 4 HA ALA 1 HA ALA 1 -1.040 2.466 4.604 5 1HB ALA 1 HB1 ALA 1 0.434 0.139 3.553 6 2HB ALA 1 HB2 ALA 1 -0.696 -0.188 4.867 7 3HB ALA 1 HB3 ALA 1 0.597 0.990 5.088 8 H CYS 2 HN CYS 2 1.377 2.229 3.263 9 HA CYS 2 HA CYS 2 1.342 4.030 1.323 10 1HB CYS 2 HB2 CYS 2 3.243 2.141 0.415 11 2HB CYS 2 HB1 CYS 2 3.506 3.603 1.338 12 H LEU 3 HN LEU 3 0.640 0.750 0.935 13 HA LEU 3 HA LEU 3 0.548 0.589 -1.865 14 1HB LEU 3 HB2 LEU 3 -0.130 -1.087 0.381 15 2HB LEU 3 HB1 LEU 3 -1.352 -1.222 -0.867 16 HG LEU 3 HG LEU 3 0.637 -2.861 -0.879 17 1HD1 LEU 3 HD11 LEU 3 0.404 -1.646 -3.555 18 2HD1 LEU 3 HD12 LEU 3 -1.109 -2.087 -2.764 19 3HD1 LEU 3 HD13 LEU 3 0.134 -3.309 -3.032 20 1HD2 LEU 3 HD21 LEU 3 2.156 -0.631 -0.863 21 2HD2 LEU 3 HD22 LEU 3 2.073 -0.952 -2.596 22 3HD2 LEU 3 HD23 LEU 3 2.693 -2.186 -1.499 23 HA PRO 4 HA PRO 4 -2.967 3.158 -2.817 24 1HB PRO 4 HB2 PRO 4 -3.151 1.244 -5.100 25 2HB PRO 4 HB1 PRO 4 -3.169 3.011 -5.110 26 1HG PRO 4 HG2 PRO 4 -0.987 1.692 -5.845 27 2HG PRO 4 HG1 PRO 4 -0.861 3.165 -4.863 28 1HD PRO 4 HD2 PRO 4 -0.556 0.310 -4.048 29 2HD PRO 4 HD1 PRO 4 0.312 1.748 -3.474 30 H TRP 5 HN TRP 5 -3.119 -0.370 -2.883 31 HA TRP 5 HA TRP 5 -5.821 -0.228 -1.781 32 1HB TRP 5 HB2 TRP 5 -6.087 -2.362 -3.491 33 2HB TRP 5 HB1 TRP 5 -6.712 -0.744 -3.787 34 HD1 TRP 5 HD1 TRP 5 -5.691 0.594 -5.782 35 HE1 TRP 5 HE1 TRP 5 -3.912 0.068 -7.567 36 HE3 TRP 5 HE3 TRP 5 -3.798 -3.716 -3.801 37 HZ2 TRP 5 HZ2 TRP 5 -1.967 -1.913 -8.071 38 HZ3 TRP 5 HZ3 TRP 5 -1.981 -4.869 -4.994 39 HH2 TRP 5 HH2 TRP 5 -1.085 -3.984 -7.086 40 H SER 6 HN SER 6 -3.252 -0.890 -0.632 41 HA SER 6 HA SER 6 -3.977 -3.327 0.657 42 1HB SER 6 HB2 SER 6 -1.374 -3.385 -0.876 43 2HB SER 6 HB1 SER 6 -2.158 -4.714 -0.022 44 HG SER 6 HG SER 6 -2.766 -5.082 -2.046 45 H ASP 7 HN ASP 7 -1.041 -3.750 1.282 46 HA ASP 7 HA ASP 7 -0.705 -1.451 3.088 47 1HB ASP 7 HB2 ASP 7 -1.364 -3.501 4.295 48 2HB ASP 7 HB1 ASP 7 0.034 -4.336 3.626 49 H GLY 8 HN GLY 8 1.288 -4.230 2.068 50 1HA GLY 8 HA2 GLY 8 3.374 -4.311 1.102 51 2HA GLY 8 HA1 GLY 8 3.130 -2.647 0.592 52 HA PRO 9 HA PRO 9 6.111 -3.096 4.340 53 1HB PRO 9 HB2 PRO 9 8.513 -3.226 3.086 54 2HB PRO 9 HB1 PRO 9 7.588 -4.664 3.535 55 1HG PRO 9 HG2 PRO 9 7.790 -3.294 0.880 56 2HG PRO 9 HG1 PRO 9 7.827 -5.028 1.250 57 1HD PRO 9 HD2 PRO 9 5.606 -3.782 0.330 58 2HD PRO 9 HD1 PRO 9 5.534 -5.165 1.441 59 H CYS 10 HN CYS 10 7.035 -1.281 5.182 60 HA CYS 10 HA CYS 10 8.069 0.818 3.504 61 1HB CYS 10 HB2 CYS 10 5.391 1.039 4.820 62 2HB CYS 10 HB1 CYS 10 6.408 2.471 4.705 Start of MODEL 15 1 1H ALA 1 HT1 ALA 1 0.125 5.330 3.942 2 2H ALA 1 HT2 ALA 1 1.015 6.760 4.271 3 3H ALA 1 HT3 ALA 1 1.822 5.248 4.170 4 HA ALA 1 HA ALA 1 0.307 6.378 1.932 5 1HB ALA 1 HB1 ALA 1 1.825 8.077 2.145 6 2HB ALA 1 HB2 ALA 1 2.755 6.946 1.162 7 3HB ALA 1 HB3 ALA 1 3.041 7.046 2.900 8 H CYS 2 HN CYS 2 0.386 3.688 2.832 9 HA CYS 2 HA CYS 2 2.374 2.301 1.271 10 1HB CYS 2 HB2 CYS 2 0.747 1.740 3.513 11 2HB CYS 2 HB1 CYS 2 0.285 0.609 2.257 12 H LEU 3 HN LEU 3 0.867 0.106 0.394 13 HA LEU 3 HA LEU 3 0.064 0.922 -2.140 14 1HB LEU 3 HB2 LEU 3 -0.205 -1.555 -0.538 15 2HB LEU 3 HB1 LEU 3 -1.279 -1.396 -1.915 16 HG LEU 3 HG LEU 3 1.730 -1.197 -2.066 17 1HD1 LEU 3 HD11 LEU 3 0.901 -3.452 -1.424 18 2HD1 LEU 3 HD12 LEU 3 1.717 -3.408 -2.987 19 3HD1 LEU 3 HD13 LEU 3 -0.044 -3.480 -2.913 20 1HD2 LEU 3 HD21 LEU 3 1.150 -1.619 -4.535 21 2HD2 LEU 3 HD22 LEU 3 0.894 -0.001 -3.881 22 3HD2 LEU 3 HD23 LEU 3 -0.475 -1.093 -4.094 23 HA PRO 4 HA PRO 4 -3.930 2.760 -1.673 24 1HB PRO 4 HB2 PRO 4 -4.602 1.302 -4.179 25 2HB PRO 4 HB1 PRO 4 -4.738 3.024 -3.807 26 1HG PRO 4 HG2 PRO 4 -2.790 2.134 -5.381 27 2HG PRO 4 HG1 PRO 4 -2.485 3.422 -4.201 28 1HD PRO 4 HD2 PRO 4 -1.765 0.524 -4.075 29 2HD PRO 4 HD1 PRO 4 -0.845 1.941 -3.530 30 H TRP 5 HN TRP 5 -4.006 -0.570 -2.943 31 HA TRP 5 HA TRP 5 -6.301 -1.100 -1.173 32 1HB TRP 5 HB2 TRP 5 -6.354 -3.144 -2.998 33 2HB TRP 5 HB1 TRP 5 -7.310 -1.670 -3.107 34 HD1 TRP 5 HD1 TRP 5 -6.966 -0.236 -5.219 35 HE1 TRP 5 HE1 TRP 5 -5.307 -0.248 -7.185 36 HE3 TRP 5 HE3 TRP 5 -3.688 -3.752 -3.490 37 HZ2 TRP 5 HZ2 TRP 5 -2.921 -1.573 -7.907 38 HZ3 TRP 5 HZ3 TRP 5 -1.741 -4.335 -4.878 39 HH2 TRP 5 HH2 TRP 5 -1.367 -3.266 -7.041 40 H SER 6 HN SER 6 -3.377 -1.313 -0.589 41 HA SER 6 HA SER 6 -3.479 -3.841 0.731 42 1HB SER 6 HB2 SER 6 -2.786 -4.562 -1.528 43 2HB SER 6 HB1 SER 6 -1.414 -3.456 -1.453 44 HG SER 6 HG SER 6 -0.555 -5.307 -0.762 45 H ASP 7 HN ASP 7 -0.452 -3.848 0.729 46 HA ASP 7 HA ASP 7 0.157 -1.377 2.138 47 1HB ASP 7 HB2 ASP 7 -0.336 -3.930 3.457 48 2HB ASP 7 HB1 ASP 7 1.261 -3.286 3.829 49 H GLY 8 HN GLY 8 1.795 -4.524 2.204 50 1HA GLY 8 HA2 GLY 8 3.713 -5.224 1.097 51 2HA GLY 8 HA1 GLY 8 3.728 -3.703 0.220 52 HA PRO 9 HA PRO 9 7.276 -2.883 2.813 53 1HB PRO 9 HB2 PRO 9 7.777 -0.362 1.944 54 2HB PRO 9 HB1 PRO 9 8.194 -1.800 1.004 55 1HG PRO 9 HG2 PRO 9 5.833 0.020 0.734 56 2HG PRO 9 HG1 PRO 9 6.855 -0.683 -0.534 57 1HD PRO 9 HD2 PRO 9 4.428 -1.698 0.114 58 2HD PRO 9 HD1 PRO 9 5.766 -2.713 -0.462 59 H CYS 10 HN CYS 10 5.256 -2.875 4.427 60 HA CYS 10 HA CYS 10 5.292 -0.233 5.723 61 1HB CYS 10 HB2 CYS 10 2.991 -1.871 4.903 62 2HB CYS 10 HB1 CYS 10 2.914 -1.301 6.566 Start of MODEL 16 1 1H ALA 1 HT1 ALA 1 3.976 6.666 0.189 2 2H ALA 1 HT2 ALA 1 5.020 5.683 1.132 3 3H ALA 1 HT3 ALA 1 4.725 7.310 1.590 4 HA ALA 1 HA ALA 1 3.522 5.816 2.968 5 1HB ALA 1 HB1 ALA 1 2.308 7.724 2.927 6 2HB ALA 1 HB2 ALA 1 1.142 6.687 2.105 7 3HB ALA 1 HB3 ALA 1 2.196 7.747 1.167 8 H CYS 2 HN CYS 2 4.115 3.672 2.020 9 HA CYS 2 HA CYS 2 3.096 2.256 0.032 10 1HB CYS 2 HB2 CYS 2 2.709 0.554 2.277 11 2HB CYS 2 HB1 CYS 2 4.051 0.611 1.153 12 H LEU 3 HN LEU 3 1.297 0.912 -0.376 13 HA LEU 3 HA LEU 3 -1.178 1.872 0.873 14 1HB LEU 3 HB2 LEU 3 -0.986 0.318 -1.697 15 2HB LEU 3 HB1 LEU 3 -2.334 1.269 -1.109 16 HG LEU 3 HG LEU 3 0.058 2.112 -2.616 17 1HD1 LEU 3 HD11 LEU 3 -2.568 3.522 -2.368 18 2HD1 LEU 3 HD12 LEU 3 -2.403 2.056 -3.335 19 3HD1 LEU 3 HD13 LEU 3 -1.447 3.485 -3.729 20 1HD2 LEU 3 HD21 LEU 3 0.758 3.432 -0.904 21 2HD2 LEU 3 HD22 LEU 3 -0.847 3.544 -0.182 22 3HD2 LEU 3 HD23 LEU 3 -0.454 4.499 -1.611 23 HA PRO 4 HA PRO 4 -0.952 -2.152 2.952 24 1HB PRO 4 HB2 PRO 4 -3.562 -1.156 3.965 25 2HB PRO 4 HB1 PRO 4 -2.182 -1.808 4.856 26 1HG PRO 4 HG2 PRO 4 -2.691 0.800 4.882 27 2HG PRO 4 HG1 PRO 4 -1.022 0.204 4.788 28 1HD PRO 4 HD2 PRO 4 -2.766 1.312 2.623 29 2HD PRO 4 HD1 PRO 4 -1.032 1.565 2.914 30 H TRP 5 HN TRP 5 -3.286 -0.919 0.744 31 HA TRP 5 HA TRP 5 -4.432 -3.617 0.485 32 1HB TRP 5 HB2 TRP 5 -6.356 -2.022 -0.607 33 2HB TRP 5 HB1 TRP 5 -6.367 -2.612 1.051 34 HD1 TRP 5 HD1 TRP 5 -5.026 0.502 -0.851 35 HE1 TRP 5 HE1 TRP 5 -5.326 2.549 0.678 36 HE3 TRP 5 HE3 TRP 5 -6.916 -1.841 3.278 37 HZ2 TRP 5 HZ2 TRP 5 -6.241 3.098 3.292 38 HZ3 TRP 5 HZ3 TRP 5 -7.477 -0.484 5.252 39 HH2 TRP 5 HH2 TRP 5 -7.145 1.935 5.258 40 H SER 6 HN SER 6 -2.261 -1.782 -1.010 41 HA SER 6 HA SER 6 -2.584 -3.089 -3.489 42 1HB SER 6 HB2 SER 6 -3.759 -0.381 -3.239 43 2HB SER 6 HB1 SER 6 -2.837 -0.711 -4.706 44 HG SER 6 HG SER 6 -4.180 -2.578 -4.989 45 H ASP 7 HN ASP 7 -0.532 -2.158 -1.432 46 HA ASP 7 HA ASP 7 1.656 -2.064 -3.134 47 1HB ASP 7 HB2 ASP 7 0.385 0.397 -3.138 48 2HB ASP 7 HB1 ASP 7 1.743 0.626 -2.043 49 H GLY 8 HN GLY 8 1.894 -3.628 -1.322 50 1HA GLY 8 HA2 GLY 8 3.031 -4.298 0.555 51 2HA GLY 8 HA1 GLY 8 3.888 -2.767 0.458 52 HA PRO 9 HA PRO 9 0.673 -2.713 3.953 53 1HB PRO 9 HB2 PRO 9 1.596 -4.262 5.915 54 2HB PRO 9 HB1 PRO 9 0.695 -4.953 4.560 55 1HG PRO 9 HG2 PRO 9 3.640 -4.932 5.065 56 2HG PRO 9 HG1 PRO 9 2.624 -6.227 4.409 57 1HD PRO 9 HD2 PRO 9 4.175 -4.482 2.899 58 2HD PRO 9 HD1 PRO 9 2.812 -5.435 2.283 59 H CYS 10 HN CYS 10 1.408 -0.571 4.181 60 HA CYS 10 HA CYS 10 3.869 0.227 5.240 61 1HB CYS 10 HB2 CYS 10 1.454 1.478 4.428 62 2HB CYS 10 HB1 CYS 10 1.825 2.074 6.040 Start of MODEL 17 1 1H ALA 1 HT1 ALA 1 5.535 4.377 2.541 2 2H ALA 1 HT2 ALA 1 4.153 4.724 1.585 3 3H ALA 1 HT3 ALA 1 5.033 3.272 1.332 4 HA ALA 1 HA ALA 1 4.503 2.812 3.755 5 1HB ALA 1 HB1 ALA 1 2.128 4.533 3.131 6 2HB ALA 1 HB2 ALA 1 3.546 5.185 3.954 7 3HB ALA 1 HB3 ALA 1 2.636 3.859 4.680 8 H CYS 2 HN CYS 2 1.749 2.181 3.909 9 HA CYS 2 HA CYS 2 1.621 -0.070 2.245 10 1HB CYS 2 HB2 CYS 2 -0.093 1.314 4.258 11 2HB CYS 2 HB1 CYS 2 -0.756 0.022 3.302 12 H LEU 3 HN LEU 3 -0.269 -0.554 0.828 13 HA LEU 3 HA LEU 3 -0.926 1.804 -0.800 14 1HB LEU 3 HB2 LEU 3 -0.833 -1.134 -1.423 15 2HB LEU 3 HB1 LEU 3 -1.609 0.011 -2.496 16 HG LEU 3 HG LEU 3 1.307 -0.242 -1.824 17 1HD1 LEU 3 HD11 LEU 3 -0.421 -0.836 -4.069 18 2HD1 LEU 3 HD12 LEU 3 1.240 -1.346 -3.756 19 3HD1 LEU 3 HD13 LEU 3 0.925 0.209 -4.533 20 1HD2 LEU 3 HD21 LEU 3 0.890 2.101 -1.580 21 2HD2 LEU 3 HD22 LEU 3 -0.104 2.131 -3.036 22 3HD2 LEU 3 HD23 LEU 3 1.633 1.847 -3.160 23 HA PRO 4 HA PRO 4 -5.148 1.926 0.586 24 1HB PRO 4 HB2 PRO 4 -5.632 2.539 -2.298 25 2HB PRO 4 HB1 PRO 4 -6.215 3.384 -0.859 26 1HG PRO 4 HG2 PRO 4 -4.227 4.403 -2.280 27 2HG PRO 4 HG1 PRO 4 -4.177 4.456 -0.507 28 1HD PRO 4 HD2 PRO 4 -2.695 2.680 -2.395 29 2HD PRO 4 HD1 PRO 4 -2.166 3.385 -0.854 30 H TRP 5 HN TRP 5 -4.445 0.419 -2.555 31 HA TRP 5 HA TRP 5 -6.627 -1.491 -2.086 32 1HB TRP 5 HB2 TRP 5 -5.670 -1.869 -4.698 33 2HB TRP 5 HB1 TRP 5 -7.171 -1.092 -4.215 34 HD1 TRP 5 HD1 TRP 5 -7.387 1.459 -4.676 35 HE1 TRP 5 HE1 TRP 5 -5.847 3.234 -5.726 36 HE3 TRP 5 HE3 TRP 5 -3.053 -1.231 -4.845 37 HZ2 TRP 5 HZ2 TRP 5 -3.148 3.462 -6.518 38 HZ3 TRP 5 HZ3 TRP 5 -1.035 -0.167 -5.768 39 HH2 TRP 5 HH2 TRP 5 -1.082 2.133 -6.585 40 H SER 6 HN SER 6 -3.283 -1.271 -1.871 41 HA SER 6 HA SER 6 -3.066 -4.194 -1.996 42 1HB SER 6 HB2 SER 6 -1.972 -2.797 -3.946 43 2HB SER 6 HB1 SER 6 -0.716 -2.489 -2.747 44 HG SER 6 HG SER 6 -1.238 -4.752 -4.167 45 H ASP 7 HN ASP 7 -0.157 -3.805 -1.291 46 HA ASP 7 HA ASP 7 -0.446 -2.873 1.473 47 1HB ASP 7 HB2 ASP 7 0.757 -4.834 2.303 48 2HB ASP 7 HB1 ASP 7 -0.692 -5.333 1.437 49 H GLY 8 HN GLY 8 2.420 -4.114 1.763 50 1HA GLY 8 HA2 GLY 8 4.520 -3.498 0.611 51 2HA GLY 8 HA1 GLY 8 3.806 -1.915 0.363 52 HA PRO 9 HA PRO 9 6.495 -2.059 4.268 53 1HB PRO 9 HB2 PRO 9 8.063 0.074 3.520 54 2HB PRO 9 HB1 PRO 9 8.490 -1.619 3.243 55 1HG PRO 9 HG2 PRO 9 7.289 0.369 1.359 56 2HG PRO 9 HG1 PRO 9 8.537 -0.854 1.054 57 1HD PRO 9 HD2 PRO 9 5.973 -1.210 0.303 58 2HD PRO 9 HD1 PRO 9 6.990 -2.561 0.845 59 H CYS 10 HN CYS 10 4.602 -1.327 5.325 60 HA CYS 10 HA CYS 10 3.391 1.157 5.021 61 1HB CYS 10 HB2 CYS 10 3.203 -1.050 6.806 62 2HB CYS 10 HB1 CYS 10 3.293 0.413 7.779 Start of MODEL 18 1 1H ALA 1 HT1 ALA 1 4.592 3.885 0.642 2 2H ALA 1 HT2 ALA 1 5.143 5.295 1.451 3 3H ALA 1 HT3 ALA 1 3.973 5.421 0.202 4 HA ALA 1 HA ALA 1 3.694 4.379 2.917 5 1HB ALA 1 HB1 ALA 1 2.333 6.137 3.253 6 2HB ALA 1 HB2 ALA 1 1.635 6.041 1.635 7 3HB ALA 1 HB3 ALA 1 3.199 6.820 1.876 8 H CYS 2 HN CYS 2 2.708 2.492 3.119 9 HA CYS 2 HA CYS 2 1.720 0.803 1.330 10 1HB CYS 2 HB2 CYS 2 -0.137 0.627 3.476 11 2HB CYS 2 HB1 CYS 2 1.284 -0.350 3.165 12 H LEU 3 HN LEU 3 -0.087 0.444 0.115 13 HA LEU 3 HA LEU 3 -2.096 2.598 0.133 14 1HB LEU 3 HB2 LEU 3 -1.047 0.860 -2.081 15 2HB LEU 3 HB1 LEU 3 -2.549 1.750 -2.240 16 HG LEU 3 HG LEU 3 0.080 3.073 -1.592 17 1HD1 LEU 3 HD11 LEU 3 -0.708 3.685 -4.219 18 2HD1 LEU 3 HD12 LEU 3 -0.782 1.929 -4.070 19 3HD1 LEU 3 HD13 LEU 3 0.714 2.783 -3.694 20 1HD2 LEU 3 HD21 LEU 3 -1.160 5.064 -2.497 21 2HD2 LEU 3 HD22 LEU 3 -1.761 4.435 -0.963 22 3HD2 LEU 3 HD23 LEU 3 -2.622 4.078 -2.460 23 HA PRO 4 HA PRO 4 -5.397 -0.091 1.225 24 1HB PRO 4 HB2 PRO 4 -6.926 0.965 -1.088 25 2HB PRO 4 HB1 PRO 4 -7.335 0.980 0.631 26 1HG PRO 4 HG2 PRO 4 -6.570 3.210 -0.605 27 2HG PRO 4 HG1 PRO 4 -6.042 2.863 1.053 28 1HD PRO 4 HD2 PRO 4 -4.534 2.579 -1.518 29 2HD PRO 4 HD1 PRO 4 -3.973 3.183 0.056 30 H TRP 5 HN TRP 5 -5.104 0.173 -2.318 31 HA TRP 5 HA TRP 5 -5.999 -2.552 -2.672 32 1HB TRP 5 HB2 TRP 5 -4.820 -1.392 -5.053 33 2HB TRP 5 HB1 TRP 5 -6.471 -1.927 -4.772 34 HD1 TRP 5 HD1 TRP 5 -8.266 -0.072 -4.111 35 HE1 TRP 5 HE1 TRP 5 -8.241 2.496 -4.274 36 HE3 TRP 5 HE3 TRP 5 -3.257 0.642 -4.817 37 HZ2 TRP 5 HZ2 TRP 5 -6.342 4.554 -4.650 38 HZ3 TRP 5 HZ3 TRP 5 -2.415 2.941 -5.068 39 HH2 TRP 5 HH2 TRP 5 -3.928 4.856 -4.987 40 H SER 6 HN SER 6 -3.076 -1.088 -1.949 41 HA SER 6 HA SER 6 -1.642 -3.549 -2.319 42 1HB SER 6 HB2 SER 6 -1.254 -1.256 -4.165 43 2HB SER 6 HB1 SER 6 0.210 -2.024 -3.552 44 HG SER 6 HG SER 6 -0.495 -3.021 -5.469 45 H ASP 7 HN ASP 7 -1.714 -3.145 0.006 46 HA ASP 7 HA ASP 7 -0.641 -0.964 1.312 47 1HB ASP 7 HB2 ASP 7 0.007 -2.791 3.105 48 2HB ASP 7 HB1 ASP 7 -1.679 -2.407 2.776 49 H GLY 8 HN GLY 8 1.321 -3.778 1.939 50 1HA GLY 8 HA2 GLY 8 3.501 -4.164 0.939 51 2HA GLY 8 HA1 GLY 8 3.615 -2.432 0.664 52 HA PRO 9 HA PRO 9 5.792 -3.575 4.663 53 1HB PRO 9 HB2 PRO 9 8.247 -2.656 3.996 54 2HB PRO 9 HB1 PRO 9 7.709 -4.295 3.610 55 1HG PRO 9 HG2 PRO 9 7.798 -1.870 1.854 56 2HG PRO 9 HG1 PRO 9 8.278 -3.537 1.484 57 1HD PRO 9 HD2 PRO 9 5.898 -2.486 0.710 58 2HD PRO 9 HD1 PRO 9 6.110 -4.207 1.093 59 H CYS 10 HN CYS 10 4.823 -2.024 5.898 60 HA CYS 10 HA CYS 10 5.302 0.789 5.354 61 1HB CYS 10 HB2 CYS 10 3.785 -0.338 7.702 62 2HB CYS 10 HB1 CYS 10 3.628 1.253 6.967 Start of MODEL 19 1 1H ALA 1 HT1 ALA 1 5.443 4.551 0.573 2 2H ALA 1 HT2 ALA 1 5.380 4.802 2.270 3 3H ALA 1 HT3 ALA 1 5.503 6.143 1.206 4 HA ALA 1 HA ALA 1 3.289 5.720 2.182 5 1HB ALA 1 HB1 ALA 1 2.189 6.450 0.242 6 2HB ALA 1 HB2 ALA 1 3.311 5.597 -0.818 7 3HB ALA 1 HB3 ALA 1 3.848 7.024 0.068 8 H CYS 2 HN CYS 2 1.713 4.287 2.593 9 HA CYS 2 HA CYS 2 2.036 1.575 1.618 10 1HB CYS 2 HB2 CYS 2 1.150 2.800 4.005 11 2HB CYS 2 HB1 CYS 2 -0.212 1.926 3.351 12 H LEU 3 HN LEU 3 0.197 0.368 0.847 13 HA LEU 3 HA LEU 3 -1.624 2.037 -0.743 14 1HB LEU 3 HB2 LEU 3 -0.244 -0.517 -1.224 15 2HB LEU 3 HB1 LEU 3 -1.903 -0.468 -1.774 16 HG LEU 3 HG LEU 3 0.302 0.343 -3.200 17 1HD1 LEU 3 HD11 LEU 3 -1.369 -0.043 -4.627 18 2HD1 LEU 3 HD12 LEU 3 -1.777 1.660 -4.417 19 3HD1 LEU 3 HD13 LEU 3 -2.599 0.431 -3.455 20 1HD2 LEU 3 HD21 LEU 3 0.348 2.671 -3.418 21 2HD2 LEU 3 HD22 LEU 3 0.310 2.396 -1.677 22 3HD2 LEU 3 HD23 LEU 3 -1.160 2.875 -2.526 23 HA PRO 4 HA PRO 4 -5.013 0.983 1.923 24 1HB PRO 4 HB2 PRO 4 -6.470 1.146 -0.682 25 2HB PRO 4 HB1 PRO 4 -6.869 1.879 0.877 26 1HG PRO 4 HG2 PRO 4 -5.810 3.356 -1.051 27 2HG PRO 4 HG1 PRO 4 -5.289 3.571 0.632 28 1HD PRO 4 HD2 PRO 4 -3.890 2.216 -1.630 29 2HD PRO 4 HD1 PRO 4 -3.215 3.171 -0.294 30 H TRP 5 HN TRP 5 -4.251 -0.722 -1.041 31 HA TRP 5 HA TRP 5 -5.131 -3.204 0.149 32 1HB TRP 5 HB2 TRP 5 -6.425 -3.602 -2.157 33 2HB TRP 5 HB1 TRP 5 -7.217 -2.921 -0.740 34 HD1 TRP 5 HD1 TRP 5 -8.480 -0.728 -1.157 35 HE1 TRP 5 HE1 TRP 5 -8.452 1.099 -2.972 36 HE3 TRP 5 HE3 TRP 5 -4.563 -2.417 -3.962 37 HZ2 TRP 5 HZ2 TRP 5 -6.977 1.733 -5.288 38 HZ3 TRP 5 HZ3 TRP 5 -3.906 -1.149 -5.965 39 HH2 TRP 5 HH2 TRP 5 -5.091 0.886 -6.613 40 H SER 6 HN SER 6 -2.577 -2.160 -0.750 41 HA SER 6 HA SER 6 -1.702 -4.412 -2.238 42 1HB SER 6 HB2 SER 6 -2.716 -3.121 -4.080 43 2HB SER 6 HB1 SER 6 -1.665 -1.760 -3.691 44 HG SER 6 HG SER 6 -1.024 -4.246 -4.824 45 H ASP 7 HN ASP 7 0.465 -2.618 -3.424 46 HA ASP 7 HA ASP 7 2.585 -3.086 -1.897 47 1HB ASP 7 HB2 ASP 7 1.919 -0.846 -3.724 48 2HB ASP 7 HB1 ASP 7 3.343 -0.643 -2.707 49 H GLY 8 HN GLY 8 2.101 -3.076 0.289 50 1HA GLY 8 HA2 GLY 8 2.334 -0.422 1.524 51 2HA GLY 8 HA1 GLY 8 1.020 -1.472 2.030 52 HA PRO 9 HA PRO 9 5.069 -3.518 3.622 53 1HB PRO 9 HB2 PRO 9 7.361 -2.118 3.490 54 2HB PRO 9 HB1 PRO 9 6.785 -3.090 2.129 55 1HG PRO 9 HG2 PRO 9 6.579 -0.136 2.568 56 2HG PRO 9 HG1 PRO 9 6.997 -1.020 1.089 57 1HD PRO 9 HD2 PRO 9 4.508 -0.004 1.596 58 2HD PRO 9 HD1 PRO 9 4.800 -1.417 0.562 59 H CYS 10 HN CYS 10 3.304 -2.197 5.089 60 HA CYS 10 HA CYS 10 4.871 -0.626 7.026 61 1HB CYS 10 HB2 CYS 10 1.870 -0.586 6.668 62 2HB CYS 10 HB1 CYS 10 2.835 0.492 7.670 Start of MODEL 20 1 1H ALA 1 HT1 ALA 1 3.414 7.146 2.718 2 2H ALA 1 HT2 ALA 1 3.434 6.469 1.141 3 3H ALA 1 HT3 ALA 1 3.953 5.536 2.485 4 HA ALA 1 HA ALA 1 1.755 5.629 3.406 5 1HB ALA 1 HB1 ALA 1 0.039 6.332 1.480 6 2HB ALA 1 HB2 ALA 1 1.366 7.427 1.092 7 3HB ALA 1 HB3 ALA 1 0.634 7.463 2.696 8 H CYS 2 HN CYS 2 1.923 3.449 3.321 9 HA CYS 2 HA CYS 2 2.500 1.731 1.361 10 1HB CYS 2 HB2 CYS 2 0.274 0.544 2.677 11 2HB CYS 2 HB1 CYS 2 1.985 0.286 2.952 12 H LEU 3 HN LEU 3 1.250 0.350 -0.059 13 HA LEU 3 HA LEU 3 -0.368 1.756 -1.838 14 1HB LEU 3 HB2 LEU 3 0.342 -1.087 -1.412 15 2HB LEU 3 HB1 LEU 3 -1.075 -0.775 -2.397 16 HG LEU 3 HG LEU 3 0.308 0.642 -3.888 17 1HD1 LEU 3 HD11 LEU 3 2.680 0.711 -3.691 18 2HD1 LEU 3 HD12 LEU 3 2.660 -0.422 -2.340 19 3HD1 LEU 3 HD13 LEU 3 2.005 1.203 -2.138 20 1HD2 LEU 3 HD21 LEU 3 -0.063 -1.904 -4.109 21 2HD2 LEU 3 HD22 LEU 3 1.634 -2.031 -3.644 22 3HD2 LEU 3 HD23 LEU 3 1.182 -1.137 -5.096 23 HA PRO 4 HA PRO 4 -4.277 1.962 0.295 24 1HB PRO 4 HB2 PRO 4 -5.380 2.012 -2.464 25 2HB PRO 4 HB1 PRO 4 -5.631 3.144 -1.131 26 1HG PRO 4 HG2 PRO 4 -4.073 3.796 -3.186 27 2HG PRO 4 HG1 PRO 4 -3.636 4.261 -1.531 28 1HD PRO 4 HD2 PRO 4 -2.546 2.056 -3.233 29 2HD PRO 4 HD1 PRO 4 -1.698 3.141 -2.111 30 H TRP 5 HN TRP 5 -4.552 0.200 -2.782 31 HA TRP 5 HA TRP 5 -6.483 -1.624 -1.785 32 1HB TRP 5 HB2 TRP 5 -5.890 -2.871 -3.967 33 2HB TRP 5 HB1 TRP 5 -6.599 -1.265 -4.090 34 HD1 TRP 5 HD1 TRP 5 -2.923 -2.498 -3.756 35 HE1 TRP 5 HE1 TRP 5 -1.520 -1.277 -5.535 36 HE3 TRP 5 HE3 TRP 5 -6.617 0.284 -5.928 37 HZ2 TRP 5 HZ2 TRP 5 -1.927 0.619 -7.587 38 HZ3 TRP 5 HZ3 TRP 5 -6.028 1.779 -7.792 39 HH2 TRP 5 HH2 TRP 5 -3.731 1.942 -8.602 40 H SER 6 HN SER 6 -3.151 -1.518 -1.296 41 HA SER 6 HA SER 6 -3.187 -4.293 -0.382 42 1HB SER 6 HB2 SER 6 -1.236 -4.927 -1.512 43 2HB SER 6 HB1 SER 6 -2.116 -4.001 -2.727 44 HG SER 6 HG SER 6 0.241 -3.537 -2.295 45 H ASP 7 HN ASP 7 -0.188 -3.940 0.021 46 HA ASP 7 HA ASP 7 -0.154 -1.926 2.129 47 1HB ASP 7 HB2 ASP 7 -0.288 -4.794 2.588 48 2HB ASP 7 HB1 ASP 7 1.155 -4.088 3.309 49 H GLY 8 HN GLY 8 2.034 -4.646 1.493 50 1HA GLY 8 HA2 GLY 8 4.170 -4.690 0.622 51 2HA GLY 8 HA1 GLY 8 3.916 -3.056 0.031 52 HA PRO 9 HA PRO 9 6.969 -2.124 3.179 53 1HB PRO 9 HB2 PRO 9 7.176 0.527 2.689 54 2HB PRO 9 HB1 PRO 9 7.907 -0.691 1.637 55 1HG PRO 9 HG2 PRO 9 5.341 0.812 1.295 56 2HG PRO 9 HG1 PRO 9 6.592 0.447 0.092 57 1HD PRO 9 HD2 PRO 9 4.286 -0.974 0.301 58 2HD PRO 9 HD1 PRO 9 5.813 -1.691 -0.252 59 H CYS 10 HN CYS 10 4.980 -2.647 4.610 60 HA CYS 10 HA CYS 10 4.688 -0.515 6.474 61 1HB CYS 10 HB2 CYS 10 2.580 -0.932 4.473 62 2HB CYS 10 HB1 CYS 10 1.995 -0.941 6.133 Start of MODEL 21 1 1H ALA 1 HT1 ALA 1 5.393 4.323 2.719 2 2H ALA 1 HT2 ALA 1 4.759 2.855 2.095 3 3H ALA 1 HT3 ALA 1 4.515 3.267 3.744 4 HA ALA 1 HA ALA 1 3.016 4.878 3.277 5 1HB ALA 1 HB1 ALA 1 4.017 6.235 1.702 6 2HB ALA 1 HB2 ALA 1 2.682 5.539 0.784 7 3HB ALA 1 HB3 ALA 1 4.314 4.901 0.587 8 H CYS 2 HN CYS 2 2.484 2.360 3.741 9 HA CYS 2 HA CYS 2 1.479 0.539 2.123 10 1HB CYS 2 HB2 CYS 2 -0.616 0.910 4.012 11 2HB CYS 2 HB1 CYS 2 0.697 -0.251 4.032 12 H LEU 3 HN LEU 3 0.170 0.452 0.432 13 HA LEU 3 HA LEU 3 -1.763 2.622 0.028 14 1HB LEU 3 HB2 LEU 3 -0.880 0.560 -1.982 15 2HB LEU 3 HB1 LEU 3 -1.736 2.057 -2.296 16 HG LEU 3 HG LEU 3 0.362 3.226 -1.357 17 1HD1 LEU 3 HD11 LEU 3 2.405 1.729 -1.977 18 2HD1 LEU 3 HD12 LEU 3 1.290 0.405 -1.640 19 3HD1 LEU 3 HD13 LEU 3 1.655 1.590 -0.387 20 1HD2 LEU 3 HD21 LEU 3 0.724 1.749 -3.950 21 2HD2 LEU 3 HD22 LEU 3 1.308 3.355 -3.514 22 3HD2 LEU 3 HD23 LEU 3 -0.417 3.081 -3.760 23 HA PRO 4 HA PRO 4 -5.331 0.172 0.852 24 1HB PRO 4 HB2 PRO 4 -6.441 1.258 -1.686 25 2HB PRO 4 HB1 PRO 4 -7.118 1.294 -0.055 26 1HG PRO 4 HG2 PRO 4 -6.064 3.487 -1.133 27 2HG PRO 4 HG1 PRO 4 -5.825 3.112 0.585 28 1HD PRO 4 HD2 PRO 4 -3.929 2.808 -1.707 29 2HD PRO 4 HD1 PRO 4 -3.609 3.317 -0.036 30 H TRP 5 HN TRP 5 -5.026 0.352 -2.692 31 HA TRP 5 HA TRP 5 -5.957 -2.233 -3.193 32 1HB TRP 5 HB2 TRP 5 -4.674 -1.912 -5.417 33 2HB TRP 5 HB1 TRP 5 -5.986 -0.801 -5.039 34 HD1 TRP 5 HD1 TRP 5 -2.188 -0.763 -4.185 35 HE1 TRP 5 HE1 TRP 5 -1.279 1.573 -4.764 36 HE3 TRP 5 HE3 TRP 5 -6.484 1.363 -5.956 37 HZ2 TRP 5 HZ2 TRP 5 -2.255 3.999 -5.827 38 HZ3 TRP 5 HZ3 TRP 5 -6.413 3.697 -6.733 39 HH2 TRP 5 HH2 TRP 5 -4.341 4.987 -6.669 40 H SER 6 HN SER 6 -2.896 -1.171 -2.054 41 HA SER 6 HA SER 6 -1.977 -3.858 -1.745 42 1HB SER 6 HB2 SER 6 -0.014 -3.767 -3.141 43 2HB SER 6 HB1 SER 6 -1.410 -3.386 -4.149 44 HG SER 6 HG SER 6 0.532 -1.980 -4.307 45 H ASP 7 HN ASP 7 -1.830 -3.279 0.416 46 HA ASP 7 HA ASP 7 -0.659 -0.997 1.468 47 1HB ASP 7 HB2 ASP 7 -0.951 -3.786 2.572 48 2HB ASP 7 HB1 ASP 7 -0.234 -2.483 3.515 49 H GLY 8 HN GLY 8 0.969 -4.113 1.932 50 1HA GLY 8 HA2 GLY 8 3.160 -4.737 1.526 51 2HA GLY 8 HA1 GLY 8 3.374 -3.253 0.608 52 HA PRO 9 HA PRO 9 5.693 -2.985 4.688 53 1HB PRO 9 HB2 PRO 9 8.076 -2.251 3.588 54 2HB PRO 9 HB1 PRO 9 7.615 -3.933 3.869 55 1HG PRO 9 HG2 PRO 9 7.495 -2.332 1.343 56 2HG PRO 9 HG1 PRO 9 8.030 -4.006 1.583 57 1HD PRO 9 HD2 PRO 9 5.584 -3.400 0.613 58 2HD PRO 9 HD1 PRO 9 5.869 -4.821 1.639 59 H CYS 10 HN CYS 10 4.698 -1.146 5.394 60 HA CYS 10 HA CYS 10 4.546 1.294 4.039 61 1HB CYS 10 HB2 CYS 10 4.603 0.984 7.042 62 2HB CYS 10 HB1 CYS 10 3.812 2.248 6.108 Start of MODEL 22 1 1H ALA 1 HT1 ALA 1 3.461 6.480 3.949 2 2H ALA 1 HT2 ALA 1 2.457 5.575 5.008 3 3H ALA 1 HT3 ALA 1 2.237 7.269 4.852 4 HA ALA 1 HA ALA 1 0.556 6.104 3.679 5 1HB ALA 1 HB1 ALA 1 2.395 7.203 1.590 6 2HB ALA 1 HB2 ALA 1 1.721 8.255 2.835 7 3HB ALA 1 HB3 ALA 1 0.647 7.378 1.745 8 H CYS 2 HN CYS 2 0.413 3.910 3.537 9 HA CYS 2 HA CYS 2 2.345 2.409 2.009 10 1HB CYS 2 HB2 CYS 2 0.549 1.900 4.137 11 2HB CYS 2 HB1 CYS 2 0.053 0.883 2.802 12 H LEU 3 HN LEU 3 0.632 0.415 0.958 13 HA LEU 3 HA LEU 3 -0.455 1.891 -1.323 14 1HB LEU 3 HB2 LEU 3 0.898 -0.623 -0.975 15 2HB LEU 3 HB1 LEU 3 -0.628 -0.876 -1.802 16 HG LEU 3 HG LEU 3 1.588 0.974 -2.681 17 1HD1 LEU 3 HD11 LEU 3 0.766 -1.781 -3.400 18 2HD1 LEU 3 HD12 LEU 3 2.370 -1.050 -3.353 19 3HD1 LEU 3 HD13 LEU 3 1.289 -0.716 -4.706 20 1HD2 LEU 3 HD21 LEU 3 -0.044 0.833 -4.796 21 2HD2 LEU 3 HD22 LEU 3 -0.165 2.095 -3.570 22 3HD2 LEU 3 HD23 LEU 3 -1.237 0.696 -3.504 23 HA PRO 4 HA PRO 4 -4.607 1.446 0.293 24 1HB PRO 4 HB2 PRO 4 -5.265 1.767 -2.594 25 2HB PRO 4 HB1 PRO 4 -5.898 2.636 -1.192 26 1HG PRO 4 HG2 PRO 4 -4.137 3.792 -2.815 27 2HG PRO 4 HG1 PRO 4 -4.053 4.037 -1.060 28 1HD PRO 4 HD2 PRO 4 -2.363 2.313 -2.819 29 2HD PRO 4 HD1 PRO 4 -1.905 3.263 -1.390 30 H TRP 5 HN TRP 5 -4.234 0.089 -2.985 31 HA TRP 5 HA TRP 5 -5.760 -2.257 -2.140 32 1HB TRP 5 HB2 TRP 5 -5.462 -2.738 -4.734 33 2HB TRP 5 HB1 TRP 5 -6.689 -1.625 -4.140 34 HD1 TRP 5 HD1 TRP 5 -3.265 -1.637 -5.889 35 HE1 TRP 5 HE1 TRP 5 -2.947 0.630 -7.066 36 HE3 TRP 5 HE3 TRP 5 -7.407 0.784 -4.123 37 HZ2 TRP 5 HZ2 TRP 5 -4.276 3.115 -7.225 38 HZ3 TRP 5 HZ3 TRP 5 -7.811 3.105 -4.835 39 HH2 TRP 5 HH2 TRP 5 -6.276 4.244 -6.354 40 H SER 6 HN SER 6 -3.167 -2.041 -1.108 41 HA SER 6 HA SER 6 -2.132 -4.549 -1.377 42 1HB SER 6 HB2 SER 6 -1.245 -2.764 -3.576 43 2HB SER 6 HB1 SER 6 0.017 -3.714 -2.792 44 HG SER 6 HG SER 6 -1.318 -5.576 -3.196 45 H ASP 7 HN ASP 7 -2.383 -3.087 0.750 46 HA ASP 7 HA ASP 7 -0.815 -1.257 1.786 47 1HB ASP 7 HB2 ASP 7 -2.347 -2.895 3.021 48 2HB ASP 7 HB1 ASP 7 -0.918 -3.904 3.219 49 H GLY 8 HN GLY 8 0.447 -4.592 2.027 50 1HA GLY 8 HA2 GLY 8 2.595 -5.394 1.976 51 2HA GLY 8 HA1 GLY 8 2.906 -4.132 0.794 52 HA PRO 9 HA PRO 9 5.073 -3.262 4.933 53 1HB PRO 9 HB2 PRO 9 7.572 -4.112 4.393 54 2HB PRO 9 HB1 PRO 9 6.333 -5.195 5.039 55 1HG PRO 9 HG2 PRO 9 7.275 -4.868 2.216 56 2HG PRO 9 HG1 PRO 9 6.933 -6.358 3.114 57 1HD PRO 9 HD2 PRO 9 5.183 -5.244 1.347 58 2HD PRO 9 HD1 PRO 9 4.670 -6.204 2.749 59 H CYS 10 HN CYS 10 4.826 -1.088 4.348 60 HA CYS 10 HA CYS 10 6.720 0.017 2.408 61 1HB CYS 10 HB2 CYS 10 4.623 1.644 3.805 62 2HB CYS 10 HB1 CYS 10 5.325 1.875 2.208 Start of MODEL 23 1 1H ALA 1 HT1 ALA 1 3.926 6.129 2.197 2 2H ALA 1 HT2 ALA 1 3.087 7.449 2.904 3 3H ALA 1 HT3 ALA 1 2.766 6.996 1.280 4 HA ALA 1 HA ALA 1 2.072 5.612 3.765 5 1HB ALA 1 HB1 ALA 1 -0.109 5.528 2.233 6 2HB ALA 1 HB2 ALA 1 0.649 6.968 1.551 7 3HB ALA 1 HB3 ALA 1 0.272 6.900 3.272 8 H CYS 2 HN CYS 2 0.573 3.655 3.109 9 HA CYS 2 HA CYS 2 2.276 1.840 1.647 10 1HB CYS 2 HB2 CYS 2 0.480 1.672 3.819 11 2HB CYS 2 HB1 CYS 2 -0.177 0.664 2.545 12 H LEU 3 HN LEU 3 0.465 0.020 0.657 13 HA LEU 3 HA LEU 3 -0.285 1.275 -1.804 14 1HB LEU 3 HB2 LEU 3 0.065 -1.411 -0.801 15 2HB LEU 3 HB1 LEU 3 -1.418 -1.288 -1.728 16 HG LEU 3 HG LEU 3 1.143 -0.227 -2.864 17 1HD1 LEU 3 HD11 LEU 3 1.972 -2.246 -3.423 18 2HD1 LEU 3 HD12 LEU 3 0.376 -2.978 -3.586 19 3HD1 LEU 3 HD13 LEU 3 1.091 -2.770 -1.988 20 1HD2 LEU 3 HD21 LEU 3 -1.569 -0.897 -3.801 21 2HD2 LEU 3 HD22 LEU 3 -0.249 -1.337 -4.885 22 3HD2 LEU 3 HD23 LEU 3 -0.443 0.337 -4.364 23 HA PRO 4 HA PRO 4 -4.423 2.531 -0.835 24 1HB PRO 4 HB2 PRO 4 -5.029 1.707 -3.627 25 2HB PRO 4 HB1 PRO 4 -5.304 3.258 -2.826 26 1HG PRO 4 HG2 PRO 4 -3.336 2.977 -4.594 27 2HG PRO 4 HG1 PRO 4 -3.110 3.952 -3.129 28 1HD PRO 4 HD2 PRO 4 -2.137 1.191 -3.739 29 2HD PRO 4 HD1 PRO 4 -1.321 2.510 -2.875 30 H TRP 5 HN TRP 5 -4.237 -0.325 -2.964 31 HA TRP 5 HA TRP 5 -6.423 -1.532 -1.406 32 1HB TRP 5 HB2 TRP 5 -6.079 -3.071 -3.715 33 2HB TRP 5 HB1 TRP 5 -7.363 -1.911 -3.403 34 HD1 TRP 5 HD1 TRP 5 -7.349 0.320 -4.783 35 HE1 TRP 5 HE1 TRP 5 -5.918 1.189 -6.738 36 HE3 TRP 5 HE3 TRP 5 -3.599 -3.148 -4.648 37 HZ2 TRP 5 HZ2 TRP 5 -3.516 0.496 -8.049 38 HZ3 TRP 5 HZ3 TRP 5 -1.771 -2.975 -6.286 39 HH2 TRP 5 HH2 TRP 5 -1.732 -1.190 -7.951 40 H SER 6 HN SER 6 -3.464 -1.519 -0.846 41 HA SER 6 HA SER 6 -3.269 -4.291 -0.127 42 1HB SER 6 HB2 SER 6 -0.939 -3.280 -1.714 43 2HB SER 6 HB1 SER 6 -1.466 -4.939 -1.435 44 HG SER 6 HG SER 6 -1.868 -3.693 -3.585 45 H ASP 7 HN ASP 7 -0.270 -3.879 0.076 46 HA ASP 7 HA ASP 7 -0.063 -1.741 2.023 47 1HB ASP 7 HB2 ASP 7 -0.058 -4.634 2.732 48 2HB ASP 7 HB1 ASP 7 1.085 -3.586 3.566 49 H GLY 8 HN GLY 8 1.973 -4.624 1.727 50 1HA GLY 8 HA2 GLY 8 4.053 -4.890 0.739 51 2HA GLY 8 HA1 GLY 8 3.896 -3.284 0.046 52 HA PRO 9 HA PRO 9 7.059 -2.300 3.053 53 1HB PRO 9 HB2 PRO 9 7.312 0.328 2.475 54 2HB PRO 9 HB1 PRO 9 7.962 -0.940 1.428 55 1HG PRO 9 HG2 PRO 9 5.423 0.622 1.156 56 2HG PRO 9 HG1 PRO 9 6.609 0.190 -0.089 57 1HD PRO 9 HD2 PRO 9 4.279 -1.162 0.263 58 2HD PRO 9 HD1 PRO 9 5.760 -1.934 -0.337 59 H CYS 10 HN CYS 10 5.514 -2.692 4.807 60 HA CYS 10 HA CYS 10 4.853 -0.197 6.168 61 1HB CYS 10 HB2 CYS 10 2.888 -2.153 5.166 62 2HB CYS 10 HB1 CYS 10 2.663 -1.674 6.845 Start of MODEL 24 1 1H ALA 1 HT1 ALA 1 4.762 6.705 2.335 2 2H ALA 1 HT2 ALA 1 5.062 5.209 1.549 3 3H ALA 1 HT3 ALA 1 4.323 5.235 3.098 4 HA ALA 1 HA ALA 1 2.416 6.302 2.226 5 1HB ALA 1 HB1 ALA 1 4.047 6.327 -0.290 6 2HB ALA 1 HB2 ALA 1 3.206 7.660 0.502 7 3HB ALA 1 HB3 ALA 1 2.286 6.411 -0.335 8 H CYS 2 HN CYS 2 1.453 4.440 2.937 9 HA CYS 2 HA CYS 2 1.829 1.956 1.511 10 1HB CYS 2 HB2 CYS 2 1.098 2.738 4.125 11 2HB CYS 2 HB1 CYS 2 -0.264 1.866 3.459 12 H LEU 3 HN LEU 3 -0.097 0.691 0.848 13 HA LEU 3 HA LEU 3 -2.276 2.405 -0.132 14 1HB LEU 3 HB2 LEU 3 -0.935 0.169 -1.647 15 2HB LEU 3 HB1 LEU 3 -2.404 0.963 -2.155 16 HG LEU 3 HG LEU 3 0.372 1.767 -2.522 17 1HD1 LEU 3 HD11 LEU 3 -2.221 2.683 -3.753 18 2HD1 LEU 3 HD12 LEU 3 -1.215 1.355 -4.329 19 3HD1 LEU 3 HD13 LEU 3 -0.603 3.007 -4.375 20 1HD2 LEU 3 HD21 LEU 3 -1.501 3.642 -1.171 21 2HD2 LEU 3 HD22 LEU 3 -0.460 4.262 -2.449 22 3HD2 LEU 3 HD23 LEU 3 0.250 3.492 -1.033 23 HA PRO 4 HA PRO 4 -4.902 -0.420 2.074 24 1HB PRO 4 HB2 PRO 4 -6.829 0.417 -0.037 25 2HB PRO 4 HB1 PRO 4 -7.018 0.412 1.720 26 1HG PRO 4 HG2 PRO 4 -6.629 2.693 0.431 27 2HG PRO 4 HG1 PRO 4 -5.818 2.391 1.981 28 1HD PRO 4 HD2 PRO 4 -4.713 2.259 -0.795 29 2HD PRO 4 HD1 PRO 4 -3.959 2.871 0.693 30 H TRP 5 HN TRP 5 -4.112 -0.631 -1.292 31 HA TRP 5 HA TRP 5 -4.780 -3.464 -1.266 32 1HB TRP 5 HB2 TRP 5 -5.836 -2.870 -3.678 33 2HB TRP 5 HB1 TRP 5 -6.793 -2.959 -2.201 34 HD1 TRP 5 HD1 TRP 5 -8.343 -0.931 -1.912 35 HE1 TRP 5 HE1 TRP 5 -8.281 1.554 -2.599 36 HE3 TRP 5 HE3 TRP 5 -3.814 -0.826 -4.241 37 HZ2 TRP 5 HZ2 TRP 5 -6.556 3.316 -3.954 38 HZ3 TRP 5 HZ3 TRP 5 -3.019 1.289 -5.211 39 HH2 TRP 5 HH2 TRP 5 -4.366 3.322 -5.068 40 H SER 6 HN SER 6 -2.346 -1.538 -1.675 41 HA SER 6 HA SER 6 -1.132 -3.191 -3.697 42 1HB SER 6 HB2 SER 6 -1.953 -0.397 -4.306 43 2HB SER 6 HB1 SER 6 -0.407 -0.959 -4.941 44 HG SER 6 HG SER 6 -1.896 -1.496 -6.458 45 H ASP 7 HN ASP 7 -0.705 -2.263 -0.863 46 HA ASP 7 HA ASP 7 2.118 -2.165 -0.990 47 1HB ASP 7 HB2 ASP 7 0.736 0.395 -0.909 48 2HB ASP 7 HB1 ASP 7 1.840 0.188 0.444 49 H GLY 8 HN GLY 8 1.949 -3.892 0.419 50 1HA GLY 8 HA2 GLY 8 0.522 -3.627 2.916 51 2HA GLY 8 HA1 GLY 8 1.474 -5.009 2.398 52 HA PRO 9 HA PRO 9 4.911 -3.933 4.921 53 1HB PRO 9 HB2 PRO 9 7.027 -3.574 3.192 54 2HB PRO 9 HB1 PRO 9 6.430 -5.147 3.730 55 1HG PRO 9 HG2 PRO 9 5.874 -3.675 1.188 56 2HG PRO 9 HG1 PRO 9 6.174 -5.404 1.440 57 1HD PRO 9 HD2 PRO 9 3.696 -4.451 1.060 58 2HD PRO 9 HD1 PRO 9 4.009 -5.801 2.170 59 H CYS 10 HN CYS 10 5.300 -2.098 5.969 60 HA CYS 10 HA CYS 10 6.204 0.266 4.579 61 1HB CYS 10 HB2 CYS 10 3.488 0.105 5.857 62 2HB CYS 10 HB1 CYS 10 4.352 1.636 5.770 Start of MODEL 25 1 1H ALA 1 HT1 ALA 1 1.856 5.984 2.241 2 2H ALA 1 HT2 ALA 1 3.553 5.747 2.336 3 3H ALA 1 HT3 ALA 1 2.733 6.596 3.581 4 HA ALA 1 HA ALA 1 3.370 4.290 4.100 5 1HB ALA 1 HB1 ALA 1 0.577 5.349 4.269 6 2HB ALA 1 HB2 ALA 1 1.798 5.205 5.533 7 3HB ALA 1 HB3 ALA 1 0.976 3.765 4.933 8 H CYS 2 HN CYS 2 1.873 2.158 4.157 9 HA CYS 2 HA CYS 2 2.345 0.664 2.003 10 1HB CYS 2 HB2 CYS 2 -0.224 -0.189 2.886 11 2HB CYS 2 HB1 CYS 2 1.353 -0.857 3.256 12 H LEU 3 HN LEU 3 1.062 -0.201 0.259 13 HA LEU 3 HA LEU 3 -0.006 1.764 -1.408 14 1HB LEU 3 HB2 LEU 3 -0.332 -1.231 -1.488 15 2HB LEU 3 HB1 LEU 3 -0.822 -0.157 -2.784 16 HG LEU 3 HG LEU 3 1.987 -0.656 -1.805 17 1HD1 LEU 3 HD11 LEU 3 1.101 -0.991 -4.619 18 2HD1 LEU 3 HD12 LEU 3 0.623 -2.216 -3.444 19 3HD1 LEU 3 HD13 LEU 3 2.332 -1.864 -3.706 20 1HD2 LEU 3 HD21 LEU 3 2.336 0.830 -4.000 21 2HD2 LEU 3 HD22 LEU 3 2.260 1.517 -2.378 22 3HD2 LEU 3 HD23 LEU 3 0.833 1.540 -3.413 23 HA PRO 4 HA PRO 4 -4.180 2.398 -0.143 24 1HB PRO 4 HB2 PRO 4 -4.896 2.354 -3.019 25 2HB PRO 4 HB1 PRO 4 -5.136 3.627 -1.819 26 1HG PRO 4 HG2 PRO 4 -3.265 3.859 -3.704 27 2HG PRO 4 HG1 PRO 4 -2.978 4.437 -2.051 28 1HD PRO 4 HD2 PRO 4 -2.007 1.939 -3.384 29 2HD PRO 4 HD1 PRO 4 -1.154 3.030 -2.271 30 H TRP 5 HN TRP 5 -4.014 0.271 -3.008 31 HA TRP 5 HA TRP 5 -6.205 -1.318 -1.898 32 1HB TRP 5 HB2 TRP 5 -5.699 -2.463 -4.322 33 2HB TRP 5 HB1 TRP 5 -6.852 -1.163 -4.054 34 HD1 TRP 5 HD1 TRP 5 -6.572 0.809 -5.651 35 HE1 TRP 5 HE1 TRP 5 -4.656 1.787 -7.066 36 HE3 TRP 5 HE3 TRP 5 -2.806 -2.316 -4.191 37 HZ2 TRP 5 HZ2 TRP 5 -1.912 1.296 -7.506 38 HZ3 TRP 5 HZ3 TRP 5 -0.565 -2.000 -5.156 39 HH2 TRP 5 HH2 TRP 5 -0.129 -0.229 -6.779 40 H SER 6 HN SER 6 -3.419 -1.411 -0.882 41 HA SER 6 HA SER 6 -3.228 -4.232 -0.604 42 1HB SER 6 HB2 SER 6 -2.083 -3.560 -2.886 43 2HB SER 6 HB1 SER 6 -0.762 -3.058 -1.834 44 HG SER 6 HG SER 6 -1.494 -5.542 -2.585 45 H ASP 7 HN ASP 7 -0.254 -3.869 -0.083 46 HA ASP 7 HA ASP 7 -0.134 -1.944 2.042 47 1HB ASP 7 HB2 ASP 7 0.587 -3.982 3.626 48 2HB ASP 7 HB1 ASP 7 -1.065 -3.382 3.547 49 H GLY 8 HN GLY 8 1.601 -5.031 1.880 50 1HA GLY 8 HA2 GLY 8 3.833 -5.481 1.601 51 2HA GLY 8 HA1 GLY 8 3.797 -4.227 0.372 52 HA PRO 9 HA PRO 9 6.566 -2.217 3.267 53 1HB PRO 9 HB2 PRO 9 7.363 -0.210 1.688 54 2HB PRO 9 HB1 PRO 9 7.879 -1.874 1.387 55 1HG PRO 9 HG2 PRO 9 5.740 -0.279 0.035 56 2HG PRO 9 HG1 PRO 9 6.934 -1.379 -0.675 57 1HD PRO 9 HD2 PRO 9 4.319 -2.058 -0.138 58 2HD PRO 9 HD1 PRO 9 5.651 -3.223 -0.262 59 H CYS 10 HN CYS 10 4.715 -1.640 4.643 60 HA CYS 10 HA CYS 10 3.054 0.561 4.224 61 1HB CYS 10 HB2 CYS 10 3.908 -1.020 6.587 62 2HB CYS 10 HB1 CYS 10 3.203 0.561 6.908 Start of MODEL 26 1 1H ALA 1 HT1 ALA 1 4.894 4.686 0.834 2 2H ALA 1 HT2 ALA 1 3.491 4.284 -0.070 3 3H ALA 1 HT3 ALA 1 4.555 3.048 0.463 4 HA ALA 1 HA ALA 1 4.019 3.441 2.698 5 1HB ALA 1 HB1 ALA 1 3.742 5.909 2.405 6 2HB ALA 1 HB2 ALA 1 2.512 5.146 3.413 7 3HB ALA 1 HB3 ALA 1 2.136 5.592 1.749 8 H CYS 2 HN CYS 2 2.475 2.137 3.567 9 HA CYS 2 HA CYS 2 1.151 0.257 2.279 10 1HB CYS 2 HB2 CYS 2 -0.691 1.039 4.301 11 2HB CYS 2 HB1 CYS 2 0.507 -0.241 4.330 12 H LEU 3 HN LEU 3 -0.023 0.415 0.473 13 HA LEU 3 HA LEU 3 -2.013 2.553 0.247 14 1HB LEU 3 HB2 LEU 3 -0.697 0.732 -1.740 15 2HB LEU 3 HB1 LEU 3 -2.163 1.601 -2.153 16 HG LEU 3 HG LEU 3 0.367 2.946 -1.210 17 1HD1 LEU 3 HD11 LEU 3 1.093 2.167 -3.230 18 2HD1 LEU 3 HD12 LEU 3 0.288 3.647 -3.750 19 3HD1 LEU 3 HD13 LEU 3 -0.532 2.095 -3.913 20 1HD2 LEU 3 HD21 LEU 3 -2.127 3.938 -1.162 21 2HD2 LEU 3 HD22 LEU 3 -1.675 4.342 -2.817 22 3HD2 LEU 3 HD23 LEU 3 -0.696 4.921 -1.469 23 HA PRO 4 HA PRO 4 -5.505 0.018 1.193 24 1HB PRO 4 HB2 PRO 4 -6.749 1.361 -1.161 25 2HB PRO 4 HB1 PRO 4 -7.356 1.193 0.490 26 1HG PRO 4 HG2 PRO 4 -6.362 3.509 -0.351 27 2HG PRO 4 HG1 PRO 4 -6.035 2.926 1.292 28 1HD PRO 4 HD2 PRO 4 -4.251 2.956 -1.102 29 2HD PRO 4 HD1 PRO 4 -3.851 3.211 0.610 30 H TRP 5 HN TRP 5 -4.517 0.348 -2.187 31 HA TRP 5 HA TRP 5 -5.672 -2.273 -2.793 32 1HB TRP 5 HB2 TRP 5 -4.407 -1.169 -5.094 33 2HB TRP 5 HB1 TRP 5 -6.125 -1.399 -4.800 34 HD1 TRP 5 HD1 TRP 5 -3.535 1.264 -5.201 35 HE1 TRP 5 HE1 TRP 5 -4.602 3.582 -4.873 36 HE3 TRP 5 HE3 TRP 5 -8.055 -0.184 -3.298 37 HZ2 TRP 5 HZ2 TRP 5 -7.037 4.655 -3.932 38 HZ3 TRP 5 HZ3 TRP 5 -9.697 1.552 -2.709 39 HH2 TRP 5 HH2 TRP 5 -9.196 3.921 -3.020 40 H SER 6 HN SER 6 -2.664 -0.720 -2.198 41 HA SER 6 HA SER 6 -1.288 -3.265 -2.610 42 1HB SER 6 HB2 SER 6 -0.727 -0.719 -4.037 43 2HB SER 6 HB1 SER 6 0.669 -1.629 -3.461 44 HG SER 6 HG SER 6 -0.247 -2.118 -5.650 45 H ASP 7 HN ASP 7 -1.719 -3.018 -0.219 46 HA ASP 7 HA ASP 7 -0.683 -1.161 1.468 47 1HB ASP 7 HB2 ASP 7 -0.186 -3.268 2.999 48 2HB ASP 7 HB1 ASP 7 -1.833 -2.775 2.622 49 H GLY 8 HN GLY 8 1.201 -4.116 1.670 50 1HA GLY 8 HA2 GLY 8 3.460 -4.490 1.261 51 2HA GLY 8 HA1 GLY 8 3.585 -2.864 0.606 52 HA PRO 9 HA PRO 9 5.393 -3.186 4.992 53 1HB PRO 9 HB2 PRO 9 7.980 -2.645 4.322 54 2HB PRO 9 HB1 PRO 9 7.327 -4.284 4.430 55 1HG PRO 9 HG2 PRO 9 7.761 -2.572 2.013 56 2HG PRO 9 HG1 PRO 9 8.096 -4.300 2.236 57 1HD PRO 9 HD2 PRO 9 5.904 -3.415 0.933 58 2HD PRO 9 HD1 PRO 9 5.889 -4.897 1.910 59 H CYS 10 HN CYS 10 4.585 -1.304 5.753 60 HA CYS 10 HA CYS 10 4.812 1.206 4.510 61 1HB CYS 10 HB2 CYS 10 4.456 0.780 7.477 62 2HB CYS 10 HB1 CYS 10 3.883 2.129 6.502 Start of MODEL 27 1 1H ALA 1 HT1 ALA 1 4.125 6.903 2.652 2 2H ALA 1 HT2 ALA 1 4.227 5.268 2.140 3 3H ALA 1 HT3 ALA 1 3.410 5.664 3.597 4 HA ALA 1 HA ALA 1 1.651 6.594 2.533 5 1HB ALA 1 HB1 ALA 1 1.933 6.752 -0.119 6 2HB ALA 1 HB2 ALA 1 3.614 6.993 0.358 7 3HB ALA 1 HB3 ALA 1 2.360 8.071 0.971 8 H CYS 2 HN CYS 2 2.661 3.885 3.006 9 HA CYS 2 HA CYS 2 2.403 1.972 1.183 10 1HB CYS 2 HB2 CYS 2 0.723 1.093 3.306 11 2HB CYS 2 HB1 CYS 2 2.405 0.711 2.996 12 H LEU 3 HN LEU 3 0.819 0.824 0.101 13 HA LEU 3 HA LEU 3 -1.671 2.285 -0.315 14 1HB LEU 3 HB2 LEU 3 -0.274 0.106 -1.842 15 2HB LEU 3 HB1 LEU 3 -1.905 0.618 -2.232 16 HG LEU 3 HG LEU 3 -1.120 2.858 -2.753 17 1HD1 LEU 3 HD11 LEU 3 1.371 3.243 -2.839 18 2HD1 LEU 3 HD12 LEU 3 1.543 1.794 -1.847 19 3HD1 LEU 3 HD13 LEU 3 0.656 3.187 -1.228 20 1HD2 LEU 3 HD21 LEU 3 -1.014 0.960 -4.434 21 2HD2 LEU 3 HD22 LEU 3 0.722 0.920 -4.126 22 3HD2 LEU 3 HD23 LEU 3 -0.024 2.377 -4.782 23 HA PRO 4 HA PRO 4 -3.835 -0.597 2.359 24 1HB PRO 4 HB2 PRO 4 -6.203 0.492 0.946 25 2HB PRO 4 HB1 PRO 4 -5.861 0.419 2.677 26 1HG PRO 4 HG2 PRO 4 -5.728 2.729 1.358 27 2HG PRO 4 HG1 PRO 4 -4.560 2.339 2.634 28 1HD PRO 4 HD2 PRO 4 -4.228 2.230 -0.339 29 2HD PRO 4 HD1 PRO 4 -3.088 2.788 0.904 30 H TRP 5 HN TRP 5 -4.220 -0.329 -1.098 31 HA TRP 5 HA TRP 5 -5.388 -3.027 -1.194 32 1HB TRP 5 HB2 TRP 5 -5.673 -2.172 -3.730 33 2HB TRP 5 HB1 TRP 5 -6.871 -1.873 -2.476 34 HD1 TRP 5 HD1 TRP 5 -3.678 -0.021 -3.713 35 HE1 TRP 5 HE1 TRP 5 -4.224 2.491 -3.831 36 HE3 TRP 5 HE3 TRP 5 -8.511 -0.166 -2.064 37 HZ2 TRP 5 HZ2 TRP 5 -6.416 4.187 -3.294 38 HZ3 TRP 5 HZ3 TRP 5 -9.764 1.945 -1.892 39 HH2 TRP 5 HH2 TRP 5 -8.736 4.076 -2.493 40 H SER 6 HN SER 6 -2.534 -1.278 -1.776 41 HA SER 6 HA SER 6 -1.455 -3.510 -3.360 42 1HB SER 6 HB2 SER 6 -1.680 -1.026 -4.336 43 2HB SER 6 HB1 SER 6 -0.139 -0.844 -3.502 44 HG SER 6 HG SER 6 0.426 -2.878 -4.674 45 H ASP 7 HN ASP 7 1.217 -2.083 -3.026 46 HA ASP 7 HA ASP 7 2.412 -3.592 -1.133 47 1HB ASP 7 HB2 ASP 7 4.154 -1.815 -0.967 48 2HB ASP 7 HB1 ASP 7 3.712 -2.214 -2.624 49 H GLY 8 HN GLY 8 1.001 -3.843 0.629 50 1HA GLY 8 HA2 GLY 8 0.225 -1.661 2.299 51 2HA GLY 8 HA1 GLY 8 0.084 -3.368 2.689 52 HA PRO 9 HA PRO 9 3.481 -3.543 5.484 53 1HB PRO 9 HB2 PRO 9 5.558 -4.726 3.975 54 2HB PRO 9 HB1 PRO 9 4.414 -5.552 5.034 55 1HG PRO 9 HG2 PRO 9 4.363 -5.220 2.080 56 2HG PRO 9 HG1 PRO 9 3.775 -6.565 3.074 57 1HD PRO 9 HD2 PRO 9 2.083 -4.830 1.942 58 2HD PRO 9 HD1 PRO 9 1.773 -5.489 3.562 59 H CYS 10 HN CYS 10 3.828 -1.319 5.605 60 HA CYS 10 HA CYS 10 5.390 0.146 3.754 61 1HB CYS 10 HB2 CYS 10 3.932 0.671 6.164 62 2HB CYS 10 HB1 CYS 10 5.528 1.402 6.296 Start of MODEL 28 1 1H ALA 1 HT1 ALA 1 4.625 5.431 2.545 2 2H ALA 1 HT2 ALA 1 4.398 3.749 2.293 3 3H ALA 1 HT3 ALA 1 3.469 4.575 3.476 4 HA ALA 1 HA ALA 1 2.211 5.658 1.948 5 1HB ALA 1 HB1 ALA 1 3.538 6.638 0.395 6 2HB ALA 1 HB2 ALA 1 2.978 5.279 -0.579 7 3HB ALA 1 HB3 ALA 1 4.558 5.212 0.203 8 H CYS 2 HN CYS 2 2.422 2.918 2.975 9 HA CYS 2 HA CYS 2 1.999 0.831 1.370 10 1HB CYS 2 HB2 CYS 2 -0.125 0.681 3.259 11 2HB CYS 2 HB1 CYS 2 1.443 -0.098 3.295 12 H LEU 3 HN LEU 3 0.829 0.486 -0.372 13 HA LEU 3 HA LEU 3 -1.162 2.157 -1.359 14 1HB LEU 3 HB2 LEU 3 -0.437 -0.698 -1.931 15 2HB LEU 3 HB1 LEU 3 -1.754 0.090 -2.775 16 HG LEU 3 HG LEU 3 -0.306 1.595 -3.868 17 1HD1 LEU 3 HD11 LEU 3 1.921 0.665 -2.061 18 2HD1 LEU 3 HD12 LEU 3 1.052 2.191 -1.904 19 3HD1 LEU 3 HD13 LEU 3 2.037 1.880 -3.333 20 1HD2 LEU 3 HD21 LEU 3 -0.158 -1.018 -4.335 21 2HD2 LEU 3 HD22 LEU 3 1.523 -0.736 -3.884 22 3HD2 LEU 3 HD23 LEU 3 0.809 0.156 -5.228 23 HA PRO 4 HA PRO 4 -4.637 1.075 1.254 24 1HB PRO 4 HB2 PRO 4 -6.226 2.176 -0.992 25 2HB PRO 4 HB1 PRO 4 -6.214 2.644 0.712 26 1HG PRO 4 HG2 PRO 4 -5.096 4.199 -1.145 27 2HG PRO 4 HG1 PRO 4 -4.362 4.014 0.459 28 1HD PRO 4 HD2 PRO 4 -3.582 2.750 -2.141 29 2HD PRO 4 HD1 PRO 4 -2.551 3.405 -0.850 30 H TRP 5 HN TRP 5 -4.933 0.614 -2.256 31 HA TRP 5 HA TRP 5 -6.768 -1.574 -1.980 32 1HB TRP 5 HB2 TRP 5 -6.220 -1.814 -4.509 33 2HB TRP 5 HB1 TRP 5 -7.103 -0.394 -3.960 34 HD1 TRP 5 HD1 TRP 5 -3.275 -1.060 -4.074 35 HE1 TRP 5 HE1 TRP 5 -2.173 0.885 -5.347 36 HE3 TRP 5 HE3 TRP 5 -7.472 1.582 -5.305 37 HZ2 TRP 5 HZ2 TRP 5 -2.977 3.231 -6.694 38 HZ3 TRP 5 HZ3 TRP 5 -7.220 3.667 -6.587 39 HH2 TRP 5 HH2 TRP 5 -5.018 4.474 -7.265 40 H SER 6 HN SER 6 -3.373 -1.268 -1.860 41 HA SER 6 HA SER 6 -3.098 -4.180 -2.127 42 1HB SER 6 HB2 SER 6 -2.069 -2.609 -3.983 43 2HB SER 6 HB1 SER 6 -0.801 -2.376 -2.781 44 HG SER 6 HG SER 6 -1.696 -4.922 -3.642 45 H ASP 7 HN ASP 7 -0.184 -3.743 -1.429 46 HA ASP 7 HA ASP 7 -0.498 -3.057 1.403 47 1HB ASP 7 HB2 ASP 7 1.149 -5.397 0.431 48 2HB ASP 7 HB1 ASP 7 0.728 -4.994 2.093 49 H GLY 8 HN GLY 8 2.393 -4.034 1.681 50 1HA GLY 8 HA2 GLY 8 4.393 -3.072 0.377 51 2HA GLY 8 HA1 GLY 8 3.595 -1.539 0.692 52 HA PRO 9 HA PRO 9 6.506 -2.820 4.228 53 1HB PRO 9 HB2 PRO 9 8.384 -0.885 3.877 54 2HB PRO 9 HB1 PRO 9 8.487 -2.477 3.116 55 1HG PRO 9 HG2 PRO 9 7.542 0.118 1.960 56 2HG PRO 9 HG1 PRO 9 8.583 -1.119 1.231 57 1HD PRO 9 HD2 PRO 9 5.953 -0.911 0.644 58 2HD PRO 9 HD1 PRO 9 6.800 -2.471 0.671 59 H CYS 10 HN CYS 10 5.393 -2.109 5.947 60 HA CYS 10 HA CYS 10 5.519 0.695 6.639 61 1HB CYS 10 HB2 CYS 10 2.939 -0.678 5.955 62 2HB CYS 10 HB1 CYS 10 2.965 0.614 7.150 Start of MODEL 29 1 1H ALA 1 HT1 ALA 1 5.141 6.363 0.181 2 2H ALA 1 HT2 ALA 1 3.900 5.685 -0.792 3 3H ALA 1 HT3 ALA 1 5.215 4.711 -0.272 4 HA ALA 1 HA ALA 1 4.539 4.966 1.989 5 1HB ALA 1 HB1 ALA 1 3.284 7.206 1.193 6 2HB ALA 1 HB2 ALA 1 2.897 6.349 2.685 7 3HB ALA 1 HB3 ALA 1 1.918 6.091 1.242 8 H CYS 2 HN CYS 2 2.024 4.157 2.678 9 HA CYS 2 HA CYS 2 1.860 1.608 1.332 10 1HB CYS 2 HB2 CYS 2 1.402 2.588 3.939 11 2HB CYS 2 HB1 CYS 2 -0.136 1.988 3.351 12 H LEU 3 HN LEU 3 -0.335 0.700 0.858 13 HA LEU 3 HA LEU 3 -2.323 2.678 0.057 14 1HB LEU 3 HB2 LEU 3 -1.487 0.617 -1.951 15 2HB LEU 3 HB1 LEU 3 -2.387 2.100 -2.205 16 HG LEU 3 HG LEU 3 0.518 2.086 -1.408 17 1HD1 LEU 3 HD11 LEU 3 -0.748 1.652 -4.042 18 2HD1 LEU 3 HD12 LEU 3 0.821 1.127 -3.433 19 3HD1 LEU 3 HD13 LEU 3 0.601 2.787 -3.986 20 1HD2 LEU 3 HD21 LEU 3 0.474 4.331 -1.683 21 2HD2 LEU 3 HD22 LEU 3 -1.230 4.110 -1.285 22 3HD2 LEU 3 HD23 LEU 3 -0.731 4.262 -2.970 23 HA PRO 4 HA PRO 4 -5.225 -0.308 1.530 24 1HB PRO 4 HB2 PRO 4 -6.864 0.446 -0.836 25 2HB PRO 4 HB1 PRO 4 -7.296 0.444 0.877 26 1HG PRO 4 HG2 PRO 4 -6.817 2.730 -0.395 27 2HG PRO 4 HG1 PRO 4 -6.267 2.487 1.274 28 1HD PRO 4 HD2 PRO 4 -4.703 2.403 -1.272 29 2HD PRO 4 HD1 PRO 4 -4.238 3.041 0.318 30 H TRP 5 HN TRP 5 -5.465 -0.229 -2.014 31 HA TRP 5 HA TRP 5 -5.873 -3.022 -2.251 32 1HB TRP 5 HB2 TRP 5 -5.316 -2.504 -4.734 33 2HB TRP 5 HB1 TRP 5 -6.762 -1.794 -4.023 34 HD1 TRP 5 HD1 TRP 5 -3.048 -0.666 -4.321 35 HE1 TRP 5 HE1 TRP 5 -3.033 1.811 -5.019 36 HE3 TRP 5 HE3 TRP 5 -8.088 0.145 -4.530 37 HZ2 TRP 5 HZ2 TRP 5 -4.913 3.842 -5.580 38 HZ3 TRP 5 HZ3 TRP 5 -8.899 2.383 -5.153 39 HH2 TRP 5 HH2 TRP 5 -7.343 4.193 -5.666 40 H SER 6 HN SER 6 -3.062 -1.194 -1.746 41 HA SER 6 HA SER 6 -1.415 -3.553 -2.077 42 1HB SER 6 HB2 SER 6 -1.176 -1.135 -3.823 43 2HB SER 6 HB1 SER 6 0.294 -1.979 -3.337 44 HG SER 6 HG SER 6 -0.160 -3.360 -4.839 45 H ASP 7 HN ASP 7 -1.378 -3.281 0.229 46 HA ASP 7 HA ASP 7 -0.634 -1.074 1.668 47 1HB ASP 7 HB2 ASP 7 -0.078 -3.996 2.144 48 2HB ASP 7 HB1 ASP 7 0.373 -2.758 3.313 49 H GLY 8 HN GLY 8 1.808 -3.625 1.475 50 1HA GLY 8 HA2 GLY 8 3.903 -3.241 0.236 51 2HA GLY 8 HA1 GLY 8 3.770 -1.554 0.706 52 HA PRO 9 HA PRO 9 6.553 -3.370 3.838 53 1HB PRO 9 HB2 PRO 9 8.218 -1.282 4.056 54 2HB PRO 9 HB1 PRO 9 8.315 -2.402 2.691 55 1HG PRO 9 HG2 PRO 9 7.066 0.314 2.830 56 2HG PRO 9 HG1 PRO 9 8.059 -0.396 1.544 57 1HD PRO 9 HD2 PRO 9 5.314 -0.270 1.480 58 2HD PRO 9 HD1 PRO 9 6.275 -1.476 0.602 59 H CYS 10 HN CYS 10 4.225 -2.807 4.869 60 HA CYS 10 HA CYS 10 4.784 -0.861 7.006 61 1HB CYS 10 HB2 CYS 10 2.035 -1.369 5.864 62 2HB CYS 10 HB1 CYS 10 2.500 -0.132 7.027 Start of MODEL 30 1 1H ALA 1 HT1 ALA 1 -0.460 2.375 5.409 2 2H ALA 1 HT2 ALA 1 -1.585 1.176 5.899 3 3H ALA 1 HT3 ALA 1 -2.128 2.581 5.078 4 HA ALA 1 HA ALA 1 -0.711 0.245 4.067 5 1HB ALA 1 HB1 ALA 1 -2.455 1.048 2.169 6 2HB ALA 1 HB2 ALA 1 -3.257 1.651 3.620 7 3HB ALA 1 HB3 ALA 1 -2.862 -0.062 3.479 8 H CYS 2 HN CYS 2 1.075 0.554 2.917 9 HA CYS 2 HA CYS 2 1.652 3.159 1.810 10 1HB CYS 2 HB2 CYS 2 3.162 1.066 2.938 11 2HB CYS 2 HB1 CYS 2 3.663 1.193 1.266 12 H LEU 3 HN LEU 3 -0.168 0.821 0.721 13 HA LEU 3 HA LEU 3 0.705 1.212 -2.064 14 1HB LEU 3 HB2 LEU 3 -0.495 -1.344 -1.004 15 2HB LEU 3 HB1 LEU 3 0.045 -1.045 -2.641 16 HG LEU 3 HG LEU 3 1.659 -1.610 -0.192 17 1HD1 LEU 3 HD11 LEU 3 2.884 -2.789 -2.287 18 2HD1 LEU 3 HD12 LEU 3 1.220 -2.747 -2.868 19 3HD1 LEU 3 HD13 LEU 3 1.601 -3.543 -1.342 20 1HD2 LEU 3 HD21 LEU 3 3.556 -0.943 -2.046 21 2HD2 LEU 3 HD22 LEU 3 3.080 0.052 -0.672 22 3HD2 LEU 3 HD23 LEU 3 2.362 0.336 -2.257 23 HA PRO 4 HA PRO 4 -3.357 2.683 -2.931 24 1HB PRO 4 HB2 PRO 4 -3.249 1.042 -5.404 25 2HB PRO 4 HB1 PRO 4 -3.517 2.778 -5.217 26 1HG PRO 4 HG2 PRO 4 -1.191 1.843 -6.127 27 2HG PRO 4 HG1 PRO 4 -1.254 3.244 -5.040 28 1HD PRO 4 HD2 PRO 4 -0.524 0.407 -4.440 29 2HD PRO 4 HD1 PRO 4 0.179 1.912 -3.811 30 H TRP 5 HN TRP 5 -2.632 -0.734 -3.219 31 HA TRP 5 HA TRP 5 -5.467 -1.409 -2.892 32 1HB TRP 5 HB2 TRP 5 -3.750 -3.723 -3.092 33 2HB TRP 5 HB1 TRP 5 -5.057 -3.215 -4.154 34 HD1 TRP 5 HD1 TRP 5 -1.360 -3.598 -4.044 35 HE1 TRP 5 HE1 TRP 5 -0.304 -2.659 -6.195 36 HE3 TRP 5 HE3 TRP 5 -5.419 -1.129 -5.929 37 HZ2 TRP 5 HZ2 TRP 5 -1.088 -1.080 -8.398 38 HZ3 TRP 5 HZ3 TRP 5 -5.183 0.072 -8.064 39 HH2 TRP 5 HH2 TRP 5 -3.061 0.096 -9.271 40 H SER 6 HN SER 6 -3.732 -0.300 -0.772 41 HA SER 6 HA SER 6 -3.412 -0.551 1.456 42 1HB SER 6 HB2 SER 6 -5.593 -1.136 1.900 43 2HB SER 6 HB1 SER 6 -5.526 -2.579 0.891 44 HG SER 6 HG SER 6 -4.440 -3.645 2.492 45 H ASP 7 HN ASP 7 -1.367 -1.028 1.814 46 HA ASP 7 HA ASP 7 -0.525 -3.527 2.689 47 1HB ASP 7 HB2 ASP 7 -0.269 -3.104 -0.208 48 2HB ASP 7 HB1 ASP 7 1.237 -3.567 0.580 49 H GLY 8 HN GLY 8 1.284 -3.232 3.892 50 1HA GLY 8 HA2 GLY 8 2.595 -0.612 3.610 51 2HA GLY 8 HA1 GLY 8 2.489 -1.527 5.100 52 HA PRO 9 HA PRO 9 6.045 -3.634 2.786 53 1HB PRO 9 HB2 PRO 9 6.490 -3.294 0.193 54 2HB PRO 9 HB1 PRO 9 5.132 -4.292 0.734 55 1HG PRO 9 HG2 PRO 9 5.129 -1.457 -0.236 56 2HG PRO 9 HG1 PRO 9 4.007 -2.773 -0.629 57 1HD PRO 9 HD2 PRO 9 3.534 -0.815 1.271 58 2HD PRO 9 HD1 PRO 9 2.753 -2.407 1.235 59 H CYS 10 HN CYS 10 5.790 -0.683 3.516 60 HA CYS 10 HA CYS 10 8.083 0.498 2.183 61 1HB CYS 10 HB2 CYS 10 5.996 1.495 4.090 62 2HB CYS 10 HB1 CYS 10 7.495 2.396 3.894 Start of MODEL 31 1 1H ALA 1 HT1 ALA 1 2.318 -1.741 4.228 2 2H ALA 1 HT2 ALA 1 1.699 -3.315 4.521 3 3H ALA 1 HT3 ALA 1 1.054 -1.966 5.363 4 HA ALA 1 HA ALA 1 0.905 -2.447 2.466 5 1HB ALA 1 HB1 ALA 1 -1.542 -2.317 4.088 6 2HB ALA 1 HB2 ALA 1 -0.520 -3.723 4.383 7 3HB ALA 1 HB3 ALA 1 -1.115 -3.391 2.757 8 H CYS 2 HN CYS 2 1.961 -0.179 2.670 9 HA CYS 2 HA CYS 2 0.030 1.893 3.308 10 1HB CYS 2 HB2 CYS 2 2.829 1.629 3.459 11 2HB CYS 2 HB1 CYS 2 2.509 2.882 2.278 12 H LEU 3 HN LEU 3 0.163 0.034 0.848 13 HA LEU 3 HA LEU 3 0.472 1.873 -1.350 14 1HB LEU 3 HB2 LEU 3 -0.059 -1.012 -1.015 15 2HB LEU 3 HB1 LEU 3 -0.772 -0.282 -2.439 16 HG LEU 3 HG LEU 3 1.652 -1.370 -2.465 17 1HD1 LEU 3 HD11 LEU 3 2.075 -0.213 -4.468 18 2HD1 LEU 3 HD12 LEU 3 1.168 1.202 -3.935 19 3HD1 LEU 3 HD13 LEU 3 0.319 -0.294 -4.322 20 1HD2 LEU 3 HD21 LEU 3 3.402 -0.069 -1.858 21 2HD2 LEU 3 HD22 LEU 3 2.224 0.569 -0.711 22 3HD2 LEU 3 HD23 LEU 3 2.552 1.435 -2.212 23 HA PRO 4 HA PRO 4 -3.564 3.474 -2.045 24 1HB PRO 4 HB2 PRO 4 -3.819 1.817 -4.511 25 2HB PRO 4 HB1 PRO 4 -4.041 3.557 -4.297 26 1HG PRO 4 HG2 PRO 4 -1.841 2.618 -5.450 27 2HG PRO 4 HG1 PRO 4 -1.756 3.984 -4.320 28 1HD PRO 4 HD2 PRO 4 -1.020 1.122 -3.896 29 2HD PRO 4 HD1 PRO 4 -0.242 2.591 -3.272 30 H TRP 5 HN TRP 5 -3.186 0.006 -2.343 31 HA TRP 5 HA TRP 5 -5.830 -0.339 -1.126 32 1HB TRP 5 HB2 TRP 5 -5.964 -2.466 -2.660 33 2HB TRP 5 HB1 TRP 5 -6.457 -0.895 -3.283 34 HD1 TRP 5 HD1 TRP 5 -3.341 -3.202 -3.351 35 HE1 TRP 5 HE1 TRP 5 -2.130 -2.833 -5.591 36 HE3 TRP 5 HE3 TRP 5 -6.252 0.552 -5.238 37 HZ2 TRP 5 HZ2 TRP 5 -2.375 -1.169 -7.858 38 HZ3 TRP 5 HZ3 TRP 5 -5.696 1.478 -7.448 39 HH2 TRP 5 HH2 TRP 5 -3.797 0.635 -8.730 40 H SER 6 HN SER 6 -3.636 -0.395 0.390 41 HA SER 6 HA SER 6 -2.464 -1.635 1.895 42 1HB SER 6 HB2 SER 6 -4.700 -2.556 2.393 43 2HB SER 6 HB1 SER 6 -4.459 -3.792 1.158 44 HG SER 6 HG SER 6 -3.638 -3.777 3.713 45 H ASP 7 HN ASP 7 -0.466 -1.880 1.048 46 HA ASP 7 HA ASP 7 0.452 -4.392 0.273 47 1HB ASP 7 HB2 ASP 7 -0.548 -2.719 -1.924 48 2HB ASP 7 HB1 ASP 7 1.099 -3.298 -2.164 49 H GLY 8 HN GLY 8 2.600 -4.462 0.556 50 1HA GLY 8 HA2 GLY 8 4.764 -3.771 0.903 51 2HA GLY 8 HA1 GLY 8 4.388 -2.358 -0.071 52 HA PRO 9 HA PRO 9 4.788 -1.317 4.559 53 1HB PRO 9 HB2 PRO 9 7.271 -0.251 4.594 54 2HB PRO 9 HB1 PRO 9 6.977 -1.975 4.851 55 1HG PRO 9 HG2 PRO 9 7.857 -0.553 2.367 56 2HG PRO 9 HG1 PRO 9 8.458 -2.071 3.058 57 1HD PRO 9 HD2 PRO 9 6.696 -1.987 0.993 58 2HD PRO 9 HD1 PRO 9 6.720 -3.302 2.185 59 H CYS 10 HN CYS 10 5.827 1.007 5.295 60 HA CYS 10 HA CYS 10 4.499 2.937 3.534 61 1HB CYS 10 HB2 CYS 10 5.269 3.067 6.452 62 2HB CYS 10 HB1 CYS 10 4.617 4.436 5.559 Start of MODEL 32 1 1H ALA 1 HT1 ALA 1 4.251 6.392 3.483 2 2H ALA 1 HT2 ALA 1 3.308 7.809 3.708 3 3H ALA 1 HT3 ALA 1 3.686 7.269 2.123 4 HA ALA 1 HA ALA 1 2.133 5.698 4.057 5 1HB ALA 1 HB1 ALA 1 0.132 6.452 2.933 6 2HB ALA 1 HB2 ALA 1 1.086 7.463 1.848 7 3HB ALA 1 HB3 ALA 1 1.013 7.841 3.569 8 H CYS 2 HN CYS 2 1.683 3.698 3.339 9 HA CYS 2 HA CYS 2 2.817 2.862 0.819 10 1HB CYS 2 HB2 CYS 2 2.371 1.705 3.356 11 2HB CYS 2 HB1 CYS 2 1.418 0.786 2.208 12 H LEU 3 HN LEU 3 1.115 0.713 0.221 13 HA LEU 3 HA LEU 3 -1.304 2.139 -0.677 14 1HB LEU 3 HB2 LEU 3 -0.863 -0.169 -2.272 15 2HB LEU 3 HB1 LEU 3 -0.840 1.513 -2.758 16 HG LEU 3 HG LEU 3 1.550 0.005 -1.695 17 1HD1 LEU 3 HD11 LEU 3 0.494 0.441 -4.443 18 2HD1 LEU 3 HD12 LEU 3 1.290 -0.971 -3.748 19 3HD1 LEU 3 HD13 LEU 3 2.239 0.448 -4.189 20 1HD2 LEU 3 HD21 LEU 3 2.193 2.130 -1.288 21 2HD2 LEU 3 HD22 LEU 3 1.040 2.816 -2.433 22 3HD2 LEU 3 HD23 LEU 3 2.550 2.113 -3.015 23 HA PRO 4 HA PRO 4 -3.225 -0.849 2.153 24 1HB PRO 4 HB2 PRO 4 -5.630 0.348 0.866 25 2HB PRO 4 HB1 PRO 4 -5.280 0.091 2.580 26 1HG PRO 4 HG2 PRO 4 -5.127 2.526 1.520 27 2HG PRO 4 HG1 PRO 4 -3.946 1.985 2.727 28 1HD PRO 4 HD2 PRO 4 -3.649 2.248 -0.234 29 2HD PRO 4 HD1 PRO 4 -2.470 2.574 1.052 30 H TRP 5 HN TRP 5 -4.940 -0.238 -0.909 31 HA TRP 5 HA TRP 5 -5.895 -2.833 -1.262 32 1HB TRP 5 HB2 TRP 5 -5.928 -2.091 -3.774 33 2HB TRP 5 HB1 TRP 5 -6.968 -1.282 -2.607 34 HD1 TRP 5 HD1 TRP 5 -3.313 -0.682 -3.813 35 HE1 TRP 5 HE1 TRP 5 -3.042 1.836 -4.270 36 HE3 TRP 5 HE3 TRP 5 -8.029 0.872 -2.604 37 HZ2 TRP 5 HZ2 TRP 5 -4.620 4.173 -4.133 38 HZ3 TRP 5 HZ3 TRP 5 -8.567 3.266 -2.792 39 HH2 TRP 5 HH2 TRP 5 -6.896 4.881 -3.540 40 H SER 6 HN SER 6 -2.761 -1.497 -1.900 41 HA SER 6 HA SER 6 -1.926 -4.078 -3.045 42 1HB SER 6 HB2 SER 6 -0.707 -1.397 -3.730 43 2HB SER 6 HB1 SER 6 -0.349 -2.953 -4.476 44 HG SER 6 HG SER 6 -2.508 -2.983 -5.246 45 H ASP 7 HN ASP 7 0.862 -2.757 -2.988 46 HA ASP 7 HA ASP 7 1.947 -4.020 -0.838 47 1HB ASP 7 HB2 ASP 7 2.963 -1.387 -1.913 48 2HB ASP 7 HB1 ASP 7 3.904 -2.643 -1.113 49 H GLY 8 HN GLY 8 0.545 -3.769 0.934 50 1HA GLY 8 HA2 GLY 8 0.067 -1.207 2.129 51 2HA GLY 8 HA1 GLY 8 -0.316 -2.771 2.831 52 HA PRO 9 HA PRO 9 3.107 -2.718 5.598 53 1HB PRO 9 HB2 PRO 9 4.784 -4.774 4.833 54 2HB PRO 9 HB1 PRO 9 3.317 -4.979 5.796 55 1HG PRO 9 HG2 PRO 9 3.732 -5.377 2.863 56 2HG PRO 9 HG1 PRO 9 2.788 -6.351 4.005 57 1HD PRO 9 HD2 PRO 9 1.610 -4.630 2.322 58 2HD PRO 9 HD1 PRO 9 0.996 -4.880 3.970 59 H CYS 10 HN CYS 10 4.341 -0.945 5.404 60 HA CYS 10 HA CYS 10 6.245 -0.758 3.184 61 1HB CYS 10 HB2 CYS 10 4.718 1.171 4.760 62 2HB CYS 10 HB1 CYS 10 6.413 1.616 4.600 Start of MODEL 33 1 1H ALA 1 HT1 ALA 1 -0.827 4.508 4.218 2 2H ALA 1 HT2 ALA 1 0.550 4.658 5.231 3 3H ALA 1 HT3 ALA 1 -0.765 3.664 5.709 4 HA ALA 1 HA ALA 1 1.234 2.518 4.836 5 1HB ALA 1 HB1 ALA 1 -1.591 2.136 4.114 6 2HB ALA 1 HB2 ALA 1 -0.455 1.032 4.889 7 3HB ALA 1 HB3 ALA 1 -0.433 1.233 3.138 8 H CYS 2 HN CYS 2 1.410 1.366 2.434 9 HA CYS 2 HA CYS 2 2.456 3.459 0.786 10 1HB CYS 2 HB2 CYS 2 3.084 0.775 1.300 11 2HB CYS 2 HB1 CYS 2 2.678 0.889 -0.400 12 H LEU 3 HN LEU 3 0.855 0.621 -0.255 13 HA LEU 3 HA LEU 3 -0.614 2.151 -2.258 14 1HB LEU 3 HB2 LEU 3 0.018 -0.763 -1.940 15 2HB LEU 3 HB1 LEU 3 -1.217 -0.228 -3.060 16 HG LEU 3 HG LEU 3 1.058 -0.657 -4.055 17 1HD1 LEU 3 HD11 LEU 3 0.739 0.928 -5.674 18 2HD1 LEU 3 HD12 LEU 3 0.360 2.200 -4.512 19 3HD1 LEU 3 HD13 LEU 3 -0.836 0.958 -4.881 20 1HD2 LEU 3 HD21 LEU 3 2.432 0.267 -2.286 21 2HD2 LEU 3 HD22 LEU 3 1.734 1.866 -2.547 22 3HD2 LEU 3 HD23 LEU 3 2.733 1.125 -3.797 23 HA PRO 4 HA PRO 4 -4.435 2.028 -0.016 24 1HB PRO 4 HB2 PRO 4 -5.733 1.791 -2.669 25 2HB PRO 4 HB1 PRO 4 -5.948 3.019 -1.418 26 1HG PRO 4 HG2 PRO 4 -4.617 3.566 -3.663 27 2HG PRO 4 HG1 PRO 4 -4.095 4.230 -2.103 28 1HD PRO 4 HD2 PRO 4 -2.970 1.934 -3.660 29 2HD PRO 4 HD1 PRO 4 -2.125 3.202 -2.747 30 H TRP 5 HN TRP 5 -4.403 -0.065 -2.897 31 HA TRP 5 HA TRP 5 -5.945 -2.068 -1.417 32 1HB TRP 5 HB2 TRP 5 -5.937 -3.142 -3.826 33 2HB TRP 5 HB1 TRP 5 -7.025 -1.814 -3.437 34 HD1 TRP 5 HD1 TRP 5 -3.517 -2.271 -5.039 35 HE1 TRP 5 HE1 TRP 5 -3.259 -0.506 -6.894 36 HE3 TRP 5 HE3 TRP 5 -7.944 0.204 -4.423 37 HZ2 TRP 5 HZ2 TRP 5 -4.737 1.653 -7.953 38 HZ3 TRP 5 HZ3 TRP 5 -8.447 2.110 -5.896 39 HH2 TRP 5 HH2 TRP 5 -6.874 2.819 -7.624 40 H SER 6 HN SER 6 -3.074 -1.582 -0.966 41 HA SER 6 HA SER 6 -2.191 -4.184 -0.625 42 1HB SER 6 HB2 SER 6 -2.011 -4.479 -2.993 43 2HB SER 6 HB1 SER 6 -1.203 -2.924 -3.189 44 HG SER 6 HG SER 6 -0.157 -5.163 -1.789 45 H ASP 7 HN ASP 7 -2.141 -2.065 0.987 46 HA ASP 7 HA ASP 7 -0.285 -0.214 1.245 47 1HB ASP 7 HB2 ASP 7 0.076 -1.135 3.699 48 2HB ASP 7 HB1 ASP 7 -1.468 -0.457 3.195 49 H GLY 8 HN GLY 8 0.641 -3.419 2.523 50 1HA GLY 8 HA2 GLY 8 2.614 -4.596 2.254 51 2HA GLY 8 HA1 GLY 8 3.123 -3.404 1.069 52 HA PRO 9 HA PRO 9 5.076 -2.750 5.421 53 1HB PRO 9 HB2 PRO 9 7.311 -4.270 5.275 54 2HB PRO 9 HB1 PRO 9 5.782 -4.885 5.915 55 1HG PRO 9 HG2 PRO 9 6.975 -5.244 3.191 56 2HG PRO 9 HG1 PRO 9 6.183 -6.442 4.232 57 1HD PRO 9 HD2 PRO 9 4.912 -5.238 2.165 58 2HD PRO 9 HD1 PRO 9 4.069 -5.744 3.642 59 H CYS 10 HN CYS 10 5.271 -0.734 4.155 60 HA CYS 10 HA CYS 10 7.739 -0.422 2.639 61 1HB CYS 10 HB2 CYS 10 5.263 1.207 3.014 62 2HB CYS 10 HB1 CYS 10 6.743 2.026 2.528 Start of MODEL 34 1 1H ALA 1 HT1 ALA 1 3.174 7.986 1.208 2 2H ALA 1 HT2 ALA 1 2.349 7.018 0.056 3 3H ALA 1 HT3 ALA 1 4.018 6.758 0.361 4 HA ALA 1 HA ALA 1 3.627 5.929 2.462 5 1HB ALA 1 HB1 ALA 1 1.038 5.800 3.078 6 2HB ALA 1 HB2 ALA 1 1.015 7.278 2.116 7 3HB ALA 1 HB3 ALA 1 2.057 7.165 3.535 8 H CYS 2 HN CYS 2 3.841 3.819 2.221 9 HA CYS 2 HA CYS 2 3.339 2.232 0.162 10 1HB CYS 2 HB2 CYS 2 2.657 0.613 2.400 11 2HB CYS 2 HB1 CYS 2 4.183 0.732 1.547 12 H LEU 3 HN LEU 3 1.738 0.888 -0.643 13 HA LEU 3 HA LEU 3 -0.883 1.831 -0.609 14 1HB LEU 3 HB2 LEU 3 0.559 -0.410 -1.753 15 2HB LEU 3 HB1 LEU 3 -1.079 -0.847 -1.331 16 HG LEU 3 HG LEU 3 -0.565 0.020 -3.713 17 1HD1 LEU 3 HD11 LEU 3 -2.773 0.456 -3.944 18 2HD1 LEU 3 HD12 LEU 3 -2.829 1.511 -2.531 19 3HD1 LEU 3 HD13 LEU 3 -2.807 -0.241 -2.324 20 1HD2 LEU 3 HD21 LEU 3 -1.143 2.723 -2.671 21 2HD2 LEU 3 HD22 LEU 3 -0.207 2.222 -4.080 22 3HD2 LEU 3 HD23 LEU 3 0.508 2.136 -2.469 23 HA PRO 4 HA PRO 4 -2.001 0.311 3.504 24 1HB PRO 4 HB2 PRO 4 -4.642 1.300 2.564 25 2HB PRO 4 HB1 PRO 4 -3.781 1.644 4.068 26 1HG PRO 4 HG2 PRO 4 -3.912 3.470 2.140 27 2HG PRO 4 HG1 PRO 4 -2.422 3.246 3.076 28 1HD PRO 4 HD2 PRO 4 -3.081 2.321 0.308 29 2HD PRO 4 HD1 PRO 4 -1.557 2.973 0.946 30 H TRP 5 HN TRP 5 -3.319 -0.543 0.409 31 HA TRP 5 HA TRP 5 -4.215 -3.089 1.533 32 1HB TRP 5 HB2 TRP 5 -6.144 -2.513 -0.412 33 2HB TRP 5 HB1 TRP 5 -6.378 -2.552 1.331 34 HD1 TRP 5 HD1 TRP 5 -7.007 -0.318 2.483 35 HE1 TRP 5 HE1 TRP 5 -7.252 2.120 1.695 36 HE3 TRP 5 HE3 TRP 5 -5.040 -0.774 -2.209 37 HZ2 TRP 5 HZ2 TRP 5 -6.691 3.647 -0.609 38 HZ3 TRP 5 HZ3 TRP 5 -4.930 1.221 -3.645 39 HH2 TRP 5 HH2 TRP 5 -5.739 3.386 -2.859 40 H SER 6 HN SER 6 -1.954 -2.175 -0.186 41 HA SER 6 HA SER 6 -2.057 -4.316 -2.060 42 1HB SER 6 HB2 SER 6 -1.735 -1.656 -3.398 43 2HB SER 6 HB1 SER 6 -2.182 -3.208 -4.099 44 HG SER 6 HG SER 6 -3.875 -1.486 -3.724 45 H ASP 7 HN ASP 7 -0.131 -2.634 -3.772 46 HA ASP 7 HA ASP 7 2.242 -3.653 -2.873 47 1HB ASP 7 HB2 ASP 7 1.441 -1.619 -4.820 48 2HB ASP 7 HB1 ASP 7 3.076 -1.407 -4.201 49 H GLY 8 HN GLY 8 2.200 -3.279 -0.561 50 1HA GLY 8 HA2 GLY 8 4.040 -1.605 0.447 51 2HA GLY 8 HA1 GLY 8 2.625 -0.566 0.375 52 HA PRO 9 HA PRO 9 1.934 -4.100 3.664 53 1HB PRO 9 HB2 PRO 9 4.210 -4.766 4.985 54 2HB PRO 9 HB1 PRO 9 3.634 -5.642 3.562 55 1HG PRO 9 HG2 PRO 9 5.738 -3.521 3.757 56 2HG PRO 9 HG1 PRO 9 5.762 -5.038 2.838 57 1HD PRO 9 HD2 PRO 9 5.218 -2.652 1.685 58 2HD PRO 9 HD1 PRO 9 4.483 -4.168 1.127 59 H CYS 10 HN CYS 10 1.151 -1.882 4.257 60 HA CYS 10 HA CYS 10 2.318 -1.126 6.820 61 1HB CYS 10 HB2 CYS 10 1.746 0.900 4.648 62 2HB CYS 10 HB1 CYS 10 2.283 1.262 6.284 Start of MODEL 35 1 1H ALA 1 HT1 ALA 1 2.813 4.658 5.132 2 2H ALA 1 HT2 ALA 1 3.240 3.190 4.353 3 3H ALA 1 HT3 ALA 1 1.642 3.424 4.934 4 HA ALA 1 HA ALA 1 1.123 4.929 3.327 5 1HB ALA 1 HB1 ALA 1 2.562 6.336 2.298 6 2HB ALA 1 HB2 ALA 1 3.814 5.105 2.123 7 3HB ALA 1 HB3 ALA 1 3.588 5.921 3.671 8 H CYS 2 HN CYS 2 1.434 2.033 3.505 9 HA CYS 2 HA CYS 2 2.484 0.785 1.314 10 1HB CYS 2 HB2 CYS 2 -0.008 -0.479 1.846 11 2HB CYS 2 HB1 CYS 2 1.600 -0.956 2.343 12 H LEU 3 HN LEU 3 0.785 -0.462 -0.257 13 HA LEU 3 HA LEU 3 0.104 1.392 -2.228 14 1HB LEU 3 HB2 LEU 3 -0.235 -1.481 -1.790 15 2HB LEU 3 HB1 LEU 3 -1.500 -0.777 -2.779 16 HG LEU 3 HG LEU 3 0.439 0.246 -4.153 17 1HD1 LEU 3 HD11 LEU 3 1.977 -2.104 -3.137 18 2HD1 LEU 3 HD12 LEU 3 2.076 -0.555 -2.301 19 3HD1 LEU 3 HD13 LEU 3 2.549 -0.674 -3.996 20 1HD2 LEU 3 HD21 LEU 3 -0.181 -2.704 -4.164 21 2HD2 LEU 3 HD22 LEU 3 0.634 -1.845 -5.471 22 3HD2 LEU 3 HD23 LEU 3 -1.029 -1.435 -5.048 23 HA PRO 4 HA PRO 4 -3.974 2.910 -1.536 24 1HB PRO 4 HB2 PRO 4 -5.098 1.354 -3.799 25 2HB PRO 4 HB1 PRO 4 -5.089 3.100 -3.529 26 1HG PRO 4 HG2 PRO 4 -3.495 2.003 -5.356 27 2HG PRO 4 HG1 PRO 4 -2.929 3.347 -4.345 28 1HD PRO 4 HD2 PRO 4 -2.355 0.417 -4.101 29 2HD PRO 4 HD1 PRO 4 -1.259 1.800 -3.895 30 H TRP 5 HN TRP 5 -3.788 -0.532 -2.168 31 HA TRP 5 HA TRP 5 -6.113 -0.969 -0.414 32 1HB TRP 5 HB2 TRP 5 -5.956 -3.334 -1.569 33 2HB TRP 5 HB1 TRP 5 -6.748 -1.990 -2.385 34 HD1 TRP 5 HD1 TRP 5 -3.074 -3.270 -2.239 35 HE1 TRP 5 HE1 TRP 5 -2.145 -3.270 -4.640 36 HE3 TRP 5 HE3 TRP 5 -7.189 -1.504 -4.696 37 HZ2 TRP 5 HZ2 TRP 5 -3.041 -2.605 -7.233 38 HZ3 TRP 5 HZ3 TRP 5 -7.073 -1.212 -7.136 39 HH2 TRP 5 HH2 TRP 5 -5.040 -1.750 -8.377 40 H SER 6 HN SER 6 -3.291 -0.523 0.366 41 HA SER 6 HA SER 6 -1.807 -1.310 1.895 42 1HB SER 6 HB2 SER 6 -4.080 -1.885 3.017 43 2HB SER 6 HB1 SER 6 -3.693 -3.547 2.574 44 HG SER 6 HG SER 6 -2.593 -1.934 4.512 45 H ASP 7 HN ASP 7 -0.203 -1.989 0.532 46 HA ASP 7 HA ASP 7 0.289 -4.809 0.438 47 1HB ASP 7 HB2 ASP 7 -1.251 -4.389 -1.534 48 2HB ASP 7 HB1 ASP 7 0.039 -3.413 -2.228 49 H GLY 8 HN GLY 8 2.378 -4.970 0.889 50 1HA GLY 8 HA2 GLY 8 4.670 -4.684 0.269 51 2HA GLY 8 HA1 GLY 8 4.252 -3.119 -0.414 52 HA PRO 9 HA PRO 9 6.232 -2.087 3.576 53 1HB PRO 9 HB2 PRO 9 7.070 0.377 2.811 54 2HB PRO 9 HB1 PRO 9 7.960 -1.100 2.423 55 1HG PRO 9 HG2 PRO 9 6.080 0.482 0.713 56 2HG PRO 9 HG1 PRO 9 7.643 -0.239 0.285 57 1HD PRO 9 HD2 PRO 9 5.281 -1.398 -0.352 58 2HD PRO 9 HD1 PRO 9 6.740 -2.342 0.012 59 H CYS 10 HN CYS 10 4.999 -1.397 5.198 60 HA CYS 10 HA CYS 10 2.973 0.668 4.656 61 1HB CYS 10 HB2 CYS 10 3.064 -1.639 6.575 62 2HB CYS 10 HB1 CYS 10 2.030 -0.254 6.906 Start of MODEL 36 1 1H ALA 1 HT1 ALA 1 2.804 6.428 3.141 2 2H ALA 1 HT2 ALA 1 1.343 7.310 3.322 3 3H ALA 1 HT3 ALA 1 1.768 6.654 1.794 4 HA ALA 1 HA ALA 1 1.340 5.013 4.187 5 1HB ALA 1 HB1 ALA 1 -0.611 6.268 2.360 6 2HB ALA 1 HB2 ALA 1 -0.789 5.759 4.039 7 3HB ALA 1 HB3 ALA 1 -0.872 4.567 2.742 8 H CYS 2 HN CYS 2 0.175 2.913 3.070 9 HA CYS 2 HA CYS 2 2.252 1.834 1.377 10 1HB CYS 2 HB2 CYS 2 0.520 0.855 3.384 11 2HB CYS 2 HB1 CYS 2 0.112 0.004 1.907 12 H LEU 3 HN LEU 3 0.782 -0.124 0.023 13 HA LEU 3 HA LEU 3 0.130 1.121 -2.359 14 1HB LEU 3 HB2 LEU 3 -0.322 -1.556 -1.184 15 2HB LEU 3 HB1 LEU 3 -1.339 -1.136 -2.546 16 HG LEU 3 HG LEU 3 1.001 -2.373 -2.832 17 1HD1 LEU 3 HD11 LEU 3 0.938 -1.791 -5.108 18 2HD1 LEU 3 HD12 LEU 3 0.192 -0.229 -4.769 19 3HD1 LEU 3 HD13 LEU 3 -0.731 -1.715 -4.545 20 1HD2 LEU 3 HD21 LEU 3 2.840 -1.023 -3.172 21 2HD2 LEU 3 HD22 LEU 3 2.080 -0.251 -1.780 22 3HD2 LEU 3 HD23 LEU 3 1.866 0.431 -3.393 23 HA PRO 4 HA PRO 4 -3.953 2.758 -2.283 24 1HB PRO 4 HB2 PRO 4 -4.829 0.735 -4.283 25 2HB PRO 4 HB1 PRO 4 -4.932 2.498 -4.346 26 1HG PRO 4 HG2 PRO 4 -3.119 1.198 -5.795 27 2HG PRO 4 HG1 PRO 4 -2.718 2.735 -5.005 28 1HD PRO 4 HD2 PRO 4 -1.993 -0.054 -4.209 29 2HD PRO 4 HD1 PRO 4 -1.028 1.434 -4.114 30 H TRP 5 HN TRP 5 -3.968 -0.788 -2.508 31 HA TRP 5 HA TRP 5 -6.215 -0.829 -0.603 32 1HB TRP 5 HB2 TRP 5 -6.108 -3.368 -1.706 33 2HB TRP 5 HB1 TRP 5 -7.228 -2.091 -2.163 34 HD1 TRP 5 HD1 TRP 5 -7.150 -1.334 -4.620 35 HE1 TRP 5 HE1 TRP 5 -5.576 -1.749 -6.613 36 HE3 TRP 5 HE3 TRP 5 -3.398 -3.808 -2.189 37 HZ2 TRP 5 HZ2 TRP 5 -3.074 -2.964 -7.091 38 HZ3 TRP 5 HZ3 TRP 5 -1.448 -4.565 -3.487 39 HH2 TRP 5 HH2 TRP 5 -1.291 -4.149 -5.888 40 H SER 6 HN SER 6 -3.687 -0.482 0.397 41 HA SER 6 HA SER 6 -2.207 -1.289 1.920 42 1HB SER 6 HB2 SER 6 -3.045 -2.744 3.570 43 2HB SER 6 HB1 SER 6 -4.480 -1.928 2.951 44 HG SER 6 HG SER 6 -3.909 -4.547 2.968 45 H ASP 7 HN ASP 7 -0.418 -1.969 0.908 46 HA ASP 7 HA ASP 7 0.208 -4.689 0.737 47 1HB ASP 7 HB2 ASP 7 -1.322 -4.690 -1.185 48 2HB ASP 7 HB1 ASP 7 -0.382 -3.408 -1.938 49 H GLY 8 HN GLY 8 2.328 -4.744 1.057 50 1HA GLY 8 HA2 GLY 8 4.512 -4.163 -0.022 51 2HA GLY 8 HA1 GLY 8 3.945 -2.500 0.013 52 HA PRO 9 HA PRO 9 6.311 -3.625 3.961 53 1HB PRO 9 HB2 PRO 9 8.538 -2.143 3.549 54 2HB PRO 9 HB1 PRO 9 8.389 -3.813 2.988 55 1HG PRO 9 HG2 PRO 9 8.042 -1.263 1.459 56 2HG PRO 9 HG1 PRO 9 8.879 -2.751 0.979 57 1HD PRO 9 HD2 PRO 9 6.369 -2.134 0.144 58 2HD PRO 9 HD1 PRO 9 6.924 -3.804 0.376 59 H CYS 10 HN CYS 10 5.213 -2.468 5.429 60 HA CYS 10 HA CYS 10 5.760 0.377 5.648 61 1HB CYS 10 HB2 CYS 10 2.951 -0.712 5.385 62 2HB CYS 10 HB1 CYS 10 3.339 0.922 5.914 Start of MODEL 37 1 1H ALA 1 HT1 ALA 1 -0.573 1.738 5.704 2 2H ALA 1 HT2 ALA 1 1.125 1.990 5.742 3 3H ALA 1 HT3 ALA 1 0.450 0.568 6.427 4 HA ALA 1 HA ALA 1 1.307 -0.116 4.442 5 1HB ALA 1 HB1 ALA 1 -1.614 0.283 4.554 6 2HB ALA 1 HB2 ALA 1 -0.673 -1.200 4.388 7 3HB ALA 1 HB3 ALA 1 -0.947 -0.168 2.984 8 H CYS 2 HN CYS 2 2.236 0.384 2.535 9 HA CYS 2 HA CYS 2 1.907 3.102 1.555 10 1HB CYS 2 HB2 CYS 2 4.064 1.319 1.888 11 2HB CYS 2 HB1 CYS 2 3.897 1.589 0.167 12 H LEU 3 HN LEU 3 0.137 0.644 1.056 13 HA LEU 3 HA LEU 3 0.041 0.923 -1.874 14 1HB LEU 3 HB2 LEU 3 0.050 -1.473 -0.182 15 2HB LEU 3 HB1 LEU 3 -1.218 -1.461 -1.392 16 HG LEU 3 HG LEU 3 1.457 -0.740 -2.396 17 1HD1 LEU 3 HD11 LEU 3 1.557 -2.730 -0.610 18 2HD1 LEU 3 HD12 LEU 3 2.553 -2.688 -2.064 19 3HD1 LEU 3 HD13 LEU 3 1.073 -3.646 -2.037 20 1HD2 LEU 3 HD21 LEU 3 0.108 -1.037 -4.171 21 2HD2 LEU 3 HD22 LEU 3 -1.002 -2.083 -3.285 22 3HD2 LEU 3 HD23 LEU 3 0.496 -2.742 -3.943 23 HA PRO 4 HA PRO 4 -3.904 2.814 -0.655 24 1HB PRO 4 HB2 PRO 4 -4.149 2.815 -3.623 25 2HB PRO 4 HB1 PRO 4 -4.421 4.127 -2.471 26 1HG PRO 4 HG2 PRO 4 -2.225 4.080 -3.970 27 2HG PRO 4 HG1 PRO 4 -2.157 4.602 -2.275 28 1HD PRO 4 HD2 PRO 4 -1.310 2.011 -3.500 29 2HD PRO 4 HD1 PRO 4 -0.561 2.935 -2.181 30 H TRP 5 HN TRP 5 -3.372 0.213 -2.961 31 HA TRP 5 HA TRP 5 -6.082 -0.793 -2.387 32 1HB TRP 5 HB2 TRP 5 -5.403 -2.156 -4.624 33 2HB TRP 5 HB1 TRP 5 -6.269 -0.624 -4.641 34 HD1 TRP 5 HD1 TRP 5 -2.663 -1.969 -5.031 35 HE1 TRP 5 HE1 TRP 5 -1.359 -0.335 -6.532 36 HE3 TRP 5 HE3 TRP 5 -6.225 1.657 -5.568 37 HZ2 TRP 5 HZ2 TRP 5 -1.784 2.162 -7.777 38 HZ3 TRP 5 HZ3 TRP 5 -5.697 3.637 -6.929 39 HH2 TRP 5 HH2 TRP 5 -3.521 3.884 -8.009 40 H SER 6 HN SER 6 -3.259 -1.233 -1.146 41 HA SER 6 HA SER 6 -3.672 -4.021 -0.603 42 1HB SER 6 HB2 SER 6 -2.153 -3.627 -2.772 43 2HB SER 6 HB1 SER 6 -0.905 -3.430 -1.542 44 HG SER 6 HG SER 6 -1.868 -5.512 -0.698 45 H ASP 7 HN ASP 7 -0.782 -4.168 0.263 46 HA ASP 7 HA ASP 7 -1.016 -2.436 2.629 47 1HB ASP 7 HB2 ASP 7 -0.234 -5.308 2.357 48 2HB ASP 7 HB1 ASP 7 0.506 -4.350 3.637 49 H GLY 8 HN GLY 8 1.710 -4.485 1.691 50 1HA GLY 8 HA2 GLY 8 3.943 -3.953 1.488 51 2HA GLY 8 HA1 GLY 8 3.339 -2.787 0.323 52 HA PRO 9 HA PRO 9 4.128 -0.657 4.681 53 1HB PRO 9 HB2 PRO 9 6.479 -1.579 5.749 54 2HB PRO 9 HB1 PRO 9 4.881 -2.145 6.245 55 1HG PRO 9 HG2 PRO 9 6.832 -3.395 4.353 56 2HG PRO 9 HG1 PRO 9 5.823 -4.163 5.593 57 1HD PRO 9 HD2 PRO 9 5.168 -4.231 2.984 58 2HD PRO 9 HD1 PRO 9 3.934 -4.129 4.257 59 H CYS 10 HN CYS 10 5.077 1.270 4.410 60 HA CYS 10 HA CYS 10 6.662 1.889 2.213 61 1HB CYS 10 HB2 CYS 10 6.467 3.410 4.821 62 2HB CYS 10 HB1 CYS 10 7.042 4.061 3.290 Start of MODEL 38 1 1H ALA 1 HT1 ALA 1 1.261 0.988 5.567 2 2H ALA 1 HT2 ALA 1 0.261 -0.263 6.184 3 3H ALA 1 HT3 ALA 1 -0.323 1.349 6.112 4 HA ALA 1 HA ALA 1 0.124 -0.577 3.966 5 1HB ALA 1 HB1 ALA 1 -2.137 0.303 3.312 6 2HB ALA 1 HB2 ALA 1 -2.144 1.202 4.829 7 3HB ALA 1 HB3 ALA 1 -2.079 -0.560 4.848 8 H CYS 2 HN CYS 2 1.766 0.303 2.743 9 HA CYS 2 HA CYS 2 1.596 3.086 1.942 10 1HB CYS 2 HB2 CYS 2 3.669 1.236 2.409 11 2HB CYS 2 HB1 CYS 2 3.736 1.645 0.708 12 H LEU 3 HN LEU 3 -0.089 0.676 0.992 13 HA LEU 3 HA LEU 3 0.203 1.234 -1.885 14 1HB LEU 3 HB2 LEU 3 -0.389 -1.329 -0.454 15 2HB LEU 3 HB1 LEU 3 -0.970 -1.085 -2.090 16 HG LEU 3 HG LEU 3 1.910 -1.081 -1.187 17 1HD1 LEU 3 HD11 LEU 3 2.065 -3.036 -2.690 18 2HD1 LEU 3 HD12 LEU 3 0.318 -2.966 -2.918 19 3HD1 LEU 3 HD13 LEU 3 0.986 -3.303 -1.321 20 1HD2 LEU 3 HD21 LEU 3 2.078 0.410 -2.893 21 2HD2 LEU 3 HD22 LEU 3 0.605 -0.154 -3.681 22 3HD2 LEU 3 HD23 LEU 3 2.099 -1.078 -3.839 23 HA PRO 4 HA PRO 4 -3.881 2.968 -1.674 24 1HB PRO 4 HB2 PRO 4 -4.121 1.965 -4.461 25 2HB PRO 4 HB1 PRO 4 -4.353 3.599 -3.829 26 1HG PRO 4 HG2 PRO 4 -2.173 2.987 -5.223 27 2HG PRO 4 HG1 PRO 4 -2.076 4.055 -3.810 28 1HD PRO 4 HD2 PRO 4 -1.333 1.167 -4.061 29 2HD PRO 4 HD1 PRO 4 -0.510 2.471 -3.180 30 H TRP 5 HN TRP 5 -3.708 -0.024 -3.605 31 HA TRP 5 HA TRP 5 -6.237 -0.879 -2.383 32 1HB TRP 5 HB2 TRP 5 -5.868 -2.698 -4.337 33 2HB TRP 5 HB1 TRP 5 -6.685 -1.161 -4.594 34 HD1 TRP 5 HD1 TRP 5 -5.839 0.109 -6.641 35 HE1 TRP 5 HE1 TRP 5 -3.657 0.187 -8.002 36 HE3 TRP 5 HE3 TRP 5 -3.026 -3.108 -3.844 37 HZ2 TRP 5 HZ2 TRP 5 -1.080 -0.963 -7.901 38 HZ3 TRP 5 HZ3 TRP 5 -0.711 -3.566 -4.541 39 HH2 TRP 5 HH2 TRP 5 0.240 -2.514 -6.528 40 H SER 6 HN SER 6 -3.522 -1.069 -1.152 41 HA SER 6 HA SER 6 -3.784 -3.731 -0.153 42 1HB SER 6 HB2 SER 6 -2.528 -4.168 -2.235 43 2HB SER 6 HB1 SER 6 -1.287 -3.027 -1.719 44 HG SER 6 HG SER 6 -1.085 -5.449 -1.274 45 H ASP 7 HN ASP 7 -0.845 -3.619 0.587 46 HA ASP 7 HA ASP 7 -0.892 -1.349 2.433 47 1HB ASP 7 HB2 ASP 7 0.194 -3.147 4.088 48 2HB ASP 7 HB1 ASP 7 -1.540 -2.855 4.022 49 H GLY 8 HN GLY 8 1.357 -4.079 2.452 50 1HA GLY 8 HA2 GLY 8 3.600 -4.197 1.990 51 2HA GLY 8 HA1 GLY 8 3.333 -2.931 0.803 52 HA PRO 9 HA PRO 9 5.226 -1.307 4.968 53 1HB PRO 9 HB2 PRO 9 7.806 -2.137 4.953 54 2HB PRO 9 HB1 PRO 9 6.516 -3.046 5.749 55 1HG PRO 9 HG2 PRO 9 7.762 -3.485 3.062 56 2HG PRO 9 HG1 PRO 9 7.339 -4.676 4.306 57 1HD PRO 9 HD2 PRO 9 5.783 -4.221 2.137 58 2HD PRO 9 HD1 PRO 9 5.112 -4.694 3.711 59 H CYS 10 HN CYS 10 5.938 0.729 4.774 60 HA CYS 10 HA CYS 10 6.713 1.780 2.263 61 1HB CYS 10 HB2 CYS 10 6.954 3.050 4.999 62 2HB CYS 10 HB1 CYS 10 7.014 3.896 3.457 Start of MODEL 39 1 1H ALA 1 HT1 ALA 1 -2.247 0.987 3.790 2 2H ALA 1 HT2 ALA 1 -2.165 2.595 4.385 3 3H ALA 1 HT3 ALA 1 -1.946 1.270 5.453 4 HA ALA 1 HA ALA 1 0.118 2.315 4.929 5 1HB ALA 1 HB1 ALA 1 -0.417 -0.335 5.015 6 2HB ALA 1 HB2 ALA 1 1.205 0.347 4.904 7 3HB ALA 1 HB3 ALA 1 0.381 -0.211 3.448 8 H CYS 2 HN CYS 2 1.904 1.952 3.106 9 HA CYS 2 HA CYS 2 1.735 3.741 1.195 10 1HB CYS 2 HB2 CYS 2 3.008 1.595 -0.122 11 2HB CYS 2 HB1 CYS 2 3.730 2.959 0.709 12 H LEU 3 HN LEU 3 1.361 0.513 0.135 13 HA LEU 3 HA LEU 3 0.195 0.949 -2.304 14 1HB LEU 3 HB2 LEU 3 0.200 -1.325 -0.406 15 2HB LEU 3 HB1 LEU 3 -0.988 -1.380 -1.694 16 HG LEU 3 HG LEU 3 0.746 -1.284 -3.375 17 1HD1 LEU 3 HD11 LEU 3 2.637 -1.002 -1.047 18 2HD1 LEU 3 HD12 LEU 3 2.329 0.178 -2.321 19 3HD1 LEU 3 HD13 LEU 3 3.134 -1.343 -2.704 20 1HD2 LEU 3 HD21 LEU 3 0.404 -3.495 -2.895 21 2HD2 LEU 3 HD22 LEU 3 0.930 -3.329 -1.220 22 3HD2 LEU 3 HD23 LEU 3 2.122 -3.355 -2.520 23 HA PRO 4 HA PRO 4 -3.682 2.868 -0.938 24 1HB PRO 4 HB2 PRO 4 -4.136 2.825 -3.871 25 2HB PRO 4 HB1 PRO 4 -4.248 4.174 -2.735 26 1HG PRO 4 HG2 PRO 4 -2.200 3.992 -4.425 27 2HG PRO 4 HG1 PRO 4 -1.957 4.554 -2.759 28 1HD PRO 4 HD2 PRO 4 -1.380 1.871 -3.959 29 2HD PRO 4 HD1 PRO 4 -0.421 2.817 -2.800 30 H TRP 5 HN TRP 5 -3.240 0.184 -3.138 31 HA TRP 5 HA TRP 5 -5.992 -0.710 -2.614 32 1HB TRP 5 HB2 TRP 5 -5.145 -2.404 -4.548 33 2HB TRP 5 HB1 TRP 5 -5.943 -0.870 -4.875 34 HD1 TRP 5 HD1 TRP 5 -2.285 -2.104 -4.414 35 HE1 TRP 5 HE1 TRP 5 -0.808 -0.839 -6.097 36 HE3 TRP 5 HE3 TRP 5 -5.839 0.916 -6.501 37 HZ2 TRP 5 HZ2 TRP 5 -1.108 1.174 -8.050 38 HZ3 TRP 5 HZ3 TRP 5 -5.162 2.486 -8.271 39 HH2 TRP 5 HH2 TRP 5 -2.844 2.612 -9.028 40 H SER 6 HN SER 6 -3.253 -1.043 -1.106 41 HA SER 6 HA SER 6 -3.873 -3.609 -0.037 42 1HB SER 6 HB2 SER 6 -1.190 -3.359 -1.408 43 2HB SER 6 HB1 SER 6 -1.891 -4.798 -0.668 44 HG SER 6 HG SER 6 -2.618 -3.509 -3.070 45 H ASP 7 HN ASP 7 -0.944 -3.836 0.755 46 HA ASP 7 HA ASP 7 -0.821 -1.559 2.605 47 1HB ASP 7 HB2 ASP 7 0.277 -3.481 4.142 48 2HB ASP 7 HB1 ASP 7 -1.433 -3.066 4.195 49 H GLY 8 HN GLY 8 1.287 -4.397 2.344 50 1HA GLY 8 HA2 GLY 8 3.493 -4.598 1.748 51 2HA GLY 8 HA1 GLY 8 3.277 -3.164 0.756 52 HA PRO 9 HA PRO 9 5.470 -2.193 4.921 53 1HB PRO 9 HB2 PRO 9 7.944 -3.230 4.772 54 2HB PRO 9 HB1 PRO 9 6.580 -4.163 5.399 55 1HG PRO 9 HG2 PRO 9 7.845 -4.246 2.688 56 2HG PRO 9 HG1 PRO 9 7.300 -5.588 3.710 57 1HD PRO 9 HD2 PRO 9 5.847 -4.582 1.619 58 2HD PRO 9 HD1 PRO 9 5.123 -5.383 3.027 59 H CYS 10 HN CYS 10 6.458 -0.253 5.006 60 HA CYS 10 HA CYS 10 8.385 0.521 2.973 61 1HB CYS 10 HB2 CYS 10 5.911 2.193 3.451 62 2HB CYS 10 HB1 CYS 10 7.212 2.533 2.315 Start of MODEL 40 1 1H ALA 1 HT1 ALA 1 5.223 5.011 3.098 2 2H ALA 1 HT2 ALA 1 4.768 6.593 2.612 3 3H ALA 1 HT3 ALA 1 4.821 5.320 1.461 4 HA ALA 1 HA ALA 1 3.090 5.189 3.813 5 1HB ALA 1 HB1 ALA 1 2.030 6.161 1.207 6 2HB ALA 1 HB2 ALA 1 2.832 7.308 2.280 7 3HB ALA 1 HB3 ALA 1 1.418 6.415 2.842 8 H CYS 2 HN CYS 2 1.354 3.687 3.469 9 HA CYS 2 HA CYS 2 2.154 1.453 1.827 10 1HB CYS 2 HB2 CYS 2 0.759 1.841 4.256 11 2HB CYS 2 HB1 CYS 2 -0.361 1.083 3.143 12 H LEU 3 HN LEU 3 0.432 0.281 0.568 13 HA LEU 3 HA LEU 3 -1.012 2.235 -1.061 14 1HB LEU 3 HB2 LEU 3 -0.234 -0.629 -1.544 15 2HB LEU 3 HB1 LEU 3 -1.305 0.249 -2.615 16 HG LEU 3 HG LEU 3 1.561 0.977 -2.002 17 1HD1 LEU 3 HD11 LEU 3 2.193 -0.080 -3.884 18 2HD1 LEU 3 HD12 LEU 3 0.704 0.323 -4.738 19 3HD1 LEU 3 HD13 LEU 3 0.733 -1.028 -3.605 20 1HD2 LEU 3 HD21 LEU 3 -0.641 2.391 -3.379 21 2HD2 LEU 3 HD22 LEU 3 0.942 2.432 -4.155 22 3HD2 LEU 3 HD23 LEU 3 0.752 3.032 -2.508 23 HA PRO 4 HA PRO 4 -4.957 1.268 0.678 24 1HB PRO 4 HB2 PRO 4 -6.000 1.616 -2.078 25 2HB PRO 4 HB1 PRO 4 -6.460 2.443 -0.586 26 1HG PRO 4 HG2 PRO 4 -5.006 3.685 -2.440 27 2HG PRO 4 HG1 PRO 4 -4.692 3.937 -0.712 28 1HD PRO 4 HD2 PRO 4 -3.194 2.263 -2.689 29 2HD PRO 4 HD1 PRO 4 -2.575 3.282 -1.372 30 H TRP 5 HN TRP 5 -4.339 -0.142 -2.541 31 HA TRP 5 HA TRP 5 -5.835 -2.529 -1.687 32 1HB TRP 5 HB2 TRP 5 -5.579 -2.894 -4.354 33 2HB TRP 5 HB1 TRP 5 -6.936 -2.059 -3.610 34 HD1 TRP 5 HD1 TRP 5 -7.492 0.113 -4.817 35 HE1 TRP 5 HE1 TRP 5 -6.181 1.905 -6.117 36 HE3 TRP 5 HE3 TRP 5 -2.789 -1.841 -4.375 37 HZ2 TRP 5 HZ2 TRP 5 -3.507 2.423 -6.856 38 HZ3 TRP 5 HZ3 TRP 5 -0.909 -0.636 -5.407 39 HH2 TRP 5 HH2 TRP 5 -1.262 1.452 -6.621 40 H SER 6 HN SER 6 -3.032 -1.969 -1.027 41 HA SER 6 HA SER 6 -1.943 -4.496 -1.365 42 1HB SER 6 HB2 SER 6 -1.681 -4.138 -3.706 43 2HB SER 6 HB1 SER 6 -1.043 -2.513 -3.459 44 HG SER 6 HG SER 6 0.210 -4.989 -3.179 45 H ASP 7 HN ASP 7 -2.020 -3.131 0.820 46 HA ASP 7 HA ASP 7 -0.462 -1.239 1.754 47 1HB ASP 7 HB2 ASP 7 -0.677 -4.029 2.874 48 2HB ASP 7 HB1 ASP 7 0.118 -2.721 3.744 49 H GLY 8 HN GLY 8 1.050 -4.465 1.770 50 1HA GLY 8 HA2 GLY 8 3.225 -5.115 1.442 51 2HA GLY 8 HA1 GLY 8 3.290 -3.847 0.229 52 HA PRO 9 HA PRO 9 6.453 -2.075 2.815 53 1HB PRO 9 HB2 PRO 9 6.449 0.434 1.703 54 2HB PRO 9 HB1 PRO 9 7.283 -0.957 1.003 55 1HG PRO 9 HG2 PRO 9 4.615 0.203 0.301 56 2HG PRO 9 HG1 PRO 9 5.894 -0.398 -0.772 57 1HD PRO 9 HD2 PRO 9 3.716 -1.867 -0.215 58 2HD PRO 9 HD1 PRO 9 5.312 -2.614 -0.430 59 H CYS 10 HN CYS 10 5.191 -2.123 4.745 60 HA CYS 10 HA CYS 10 3.887 0.445 5.374 61 1HB CYS 10 HB2 CYS 10 2.965 -2.287 5.702 62 2HB CYS 10 HB1 CYS 10 2.976 -1.429 7.240 Start of MODEL 41 1 1H ALA 1 HT1 ALA 1 2.069 5.920 3.601 2 2H ALA 1 HT2 ALA 1 3.554 6.779 3.561 3 3H ALA 1 HT3 ALA 1 3.553 5.066 3.674 4 HA ALA 1 HA ALA 1 2.355 6.501 1.419 5 1HB ALA 1 HB1 ALA 1 4.619 5.696 0.331 6 2HB ALA 1 HB2 ALA 1 5.211 5.894 1.981 7 3HB ALA 1 HB3 ALA 1 4.490 7.262 1.133 8 H CYS 2 HN CYS 2 1.324 4.256 2.789 9 HA CYS 2 HA CYS 2 2.141 1.897 1.339 10 1HB CYS 2 HB2 CYS 2 0.880 2.466 3.803 11 2HB CYS 2 HB1 CYS 2 -0.271 1.557 2.844 12 H LEU 3 HN LEU 3 0.402 0.526 0.331 13 HA LEU 3 HA LEU 3 -1.260 2.232 -1.378 14 1HB LEU 3 HB2 LEU 3 0.346 -0.089 -1.822 15 2HB LEU 3 HB1 LEU 3 -1.311 -0.467 -2.253 16 HG LEU 3 HG LEU 3 0.258 1.871 -3.341 17 1HD1 LEU 3 HD11 LEU 3 -0.546 -0.354 -5.093 18 2HD1 LEU 3 HD12 LEU 3 0.747 -0.705 -3.947 19 3HD1 LEU 3 HD13 LEU 3 0.922 0.623 -5.094 20 1HD2 LEU 3 HD21 LEU 3 -1.908 2.548 -3.602 21 2HD2 LEU 3 HD22 LEU 3 -2.532 0.900 -3.676 22 3HD2 LEU 3 HD23 LEU 3 -1.707 1.594 -5.071 23 HA PRO 4 HA PRO 4 -4.915 1.014 0.864 24 1HB PRO 4 HB2 PRO 4 -6.271 1.540 -1.725 25 2HB PRO 4 HB1 PRO 4 -6.596 2.218 -0.127 26 1HG PRO 4 HG2 PRO 4 -5.407 3.687 -1.996 27 2HG PRO 4 HG1 PRO 4 -4.891 3.787 -0.301 28 1HD PRO 4 HD2 PRO 4 -3.612 2.342 -2.590 29 2HD PRO 4 HD1 PRO 4 -2.855 3.288 -1.291 30 H TRP 5 HN TRP 5 -4.586 -0.075 -2.509 31 HA TRP 5 HA TRP 5 -6.052 -2.520 -1.858 32 1HB TRP 5 HB2 TRP 5 -5.070 -2.262 -4.606 33 2HB TRP 5 HB1 TRP 5 -6.697 -2.582 -4.017 34 HD1 TRP 5 HD1 TRP 5 -8.169 -0.344 -3.325 35 HE1 TRP 5 HE1 TRP 5 -8.125 2.018 -4.347 36 HE3 TRP 5 HE3 TRP 5 -3.633 -0.559 -5.663 37 HZ2 TRP 5 HZ2 TRP 5 -6.393 3.583 -5.934 38 HZ3 TRP 5 HZ3 TRP 5 -2.852 1.412 -6.912 39 HH2 TRP 5 HH2 TRP 5 -4.205 3.440 -7.044 40 H SER 6 HN SER 6 -3.213 -1.863 -1.038 41 HA SER 6 HA SER 6 -2.109 -4.367 -1.021 42 1HB SER 6 HB2 SER 6 -1.832 -4.476 -3.366 43 2HB SER 6 HB1 SER 6 -1.299 -2.798 -3.467 44 HG SER 6 HG SER 6 0.112 -5.065 -2.575 45 H ASP 7 HN ASP 7 -1.885 -3.152 1.023 46 HA ASP 7 HA ASP 7 -0.439 -0.959 1.606 47 1HB ASP 7 HB2 ASP 7 -0.122 -3.552 3.126 48 2HB ASP 7 HB1 ASP 7 0.087 -1.922 3.758 49 H GLY 8 HN GLY 8 1.157 -4.154 1.701 50 1HA GLY 8 HA2 GLY 8 3.221 -4.764 0.811 51 2HA GLY 8 HA1 GLY 8 3.422 -3.121 0.222 52 HA PRO 9 HA PRO 9 6.469 -3.412 3.609 53 1HB PRO 9 HB2 PRO 9 8.005 -1.348 2.719 54 2HB PRO 9 HB1 PRO 9 8.152 -2.999 2.104 55 1HG PRO 9 HG2 PRO 9 6.705 -0.659 0.924 56 2HG PRO 9 HG1 PRO 9 7.729 -1.863 0.120 57 1HD PRO 9 HD2 PRO 9 5.032 -1.983 0.048 58 2HD PRO 9 HD1 PRO 9 6.044 -3.441 0.062 59 H CYS 10 HN CYS 10 5.432 -2.668 5.388 60 HA CYS 10 HA CYS 10 5.540 0.158 5.931 61 1HB CYS 10 HB2 CYS 10 2.942 -1.251 5.458 62 2HB CYS 10 HB1 CYS 10 3.019 0.028 6.665 Start of MODEL 42 1 1H ALA 1 HT1 ALA 1 4.030 6.148 2.428 2 2H ALA 1 HT2 ALA 1 2.806 5.769 1.285 3 3H ALA 1 HT3 ALA 1 4.402 5.176 1.066 4 HA ALA 1 HA ALA 1 4.241 3.770 2.889 5 1HB ALA 1 HB1 ALA 1 2.759 3.965 4.580 6 2HB ALA 1 HB2 ALA 1 1.436 4.435 3.513 7 3HB ALA 1 HB3 ALA 1 2.645 5.624 3.995 8 H CYS 2 HN CYS 2 2.442 1.945 3.202 9 HA CYS 2 HA CYS 2 2.246 0.462 0.982 10 1HB CYS 2 HB2 CYS 2 -0.198 -0.011 2.359 11 2HB CYS 2 HB1 CYS 2 1.296 -0.923 2.416 12 H LEU 3 HN LEU 3 0.407 -0.160 -0.391 13 HA LEU 3 HA LEU 3 -0.755 2.170 -1.604 14 1HB LEU 3 HB2 LEU 3 -1.014 -0.770 -2.225 15 2HB LEU 3 HB1 LEU 3 -1.741 0.497 -3.188 16 HG LEU 3 HG LEU 3 0.999 -0.505 -3.183 17 1HD1 LEU 3 HD11 LEU 3 0.077 -0.648 -5.245 18 2HD1 LEU 3 HD12 LEU 3 0.788 0.959 -5.395 19 3HD1 LEU 3 HD13 LEU 3 -0.926 0.785 -5.020 20 1HD2 LEU 3 HD21 LEU 3 0.558 2.477 -3.127 21 2HD2 LEU 3 HD22 LEU 3 2.039 1.685 -3.665 22 3HD2 LEU 3 HD23 LEU 3 1.513 1.526 -1.989 23 HA PRO 4 HA PRO 4 -4.852 2.457 -0.044 24 1HB PRO 4 HB2 PRO 4 -5.856 1.535 -2.705 25 2HB PRO 4 HB1 PRO 4 -6.347 2.935 -1.743 26 1HG PRO 4 HG2 PRO 4 -4.773 3.266 -3.844 27 2HG PRO 4 HG1 PRO 4 -4.466 4.171 -2.349 28 1HD PRO 4 HD2 PRO 4 -3.036 1.799 -3.461 29 2HD PRO 4 HD1 PRO 4 -2.387 3.193 -2.574 30 H TRP 5 HN TRP 5 -4.334 -0.401 -2.074 31 HA TRP 5 HA TRP 5 -6.185 -1.907 -0.361 32 1HB TRP 5 HB2 TRP 5 -5.398 -3.532 -2.528 33 2HB TRP 5 HB1 TRP 5 -6.955 -2.752 -2.282 34 HD1 TRP 5 HD1 TRP 5 -7.610 -0.869 -3.950 35 HE1 TRP 5 HE1 TRP 5 -6.440 0.258 -5.947 36 HE3 TRP 5 HE3 TRP 5 -2.920 -2.780 -3.321 37 HZ2 TRP 5 HZ2 TRP 5 -3.866 0.325 -7.103 38 HZ3 TRP 5 HZ3 TRP 5 -1.157 -2.141 -4.914 39 HH2 TRP 5 HH2 TRP 5 -1.622 -0.617 -6.766 40 H SER 6 HN SER 6 -3.558 -1.220 0.527 41 HA SER 6 HA SER 6 -1.798 -2.155 1.617 42 1HB SER 6 HB2 SER 6 -3.574 -3.638 2.534 43 2HB SER 6 HB1 SER 6 -3.266 -4.770 1.216 44 HG SER 6 HG SER 6 -1.344 -3.926 3.128 45 H ASP 7 HN ASP 7 0.052 -2.082 0.554 46 HA ASP 7 HA ASP 7 1.150 -4.253 -0.802 47 1HB ASP 7 HB2 ASP 7 -0.582 -2.684 -2.452 48 2HB ASP 7 HB1 ASP 7 1.074 -2.452 -3.004 49 H GLY 8 HN GLY 8 2.932 -3.754 0.420 50 1HA GLY 8 HA2 GLY 8 5.128 -2.649 -0.272 51 2HA GLY 8 HA1 GLY 8 4.221 -1.154 -0.104 52 HA PRO 9 HA PRO 9 6.221 -1.796 3.975 53 1HB PRO 9 HB2 PRO 9 6.570 0.831 4.520 54 2HB PRO 9 HB1 PRO 9 7.689 -0.087 3.505 55 1HG PRO 9 HG2 PRO 9 5.477 1.760 2.694 56 2HG PRO 9 HG1 PRO 9 7.118 1.622 2.036 57 1HD PRO 9 HD2 PRO 9 4.949 0.512 0.836 58 2HD PRO 9 HD1 PRO 9 6.575 -0.190 0.726 59 H CYS 10 HN CYS 10 4.537 -2.494 5.210 60 HA CYS 10 HA CYS 10 2.715 -0.425 6.234 61 1HB CYS 10 HB2 CYS 10 1.989 -2.682 4.671 62 2HB CYS 10 HB1 CYS 10 1.419 -2.978 6.310 Start of MODEL 43 1 1H ALA 1 HT1 ALA 1 -0.141 3.288 5.070 2 2H ALA 1 HT2 ALA 1 1.428 2.625 4.860 3 3H ALA 1 HT3 ALA 1 0.230 1.748 5.722 4 HA ALA 1 HA ALA 1 0.254 0.735 3.709 5 1HB ALA 1 HB1 ALA 1 -1.846 1.485 2.587 6 2HB ALA 1 HB2 ALA 1 -1.865 2.876 3.671 7 3HB ALA 1 HB3 ALA 1 -1.999 1.245 4.327 8 H CYS 2 HN CYS 2 1.788 0.828 2.165 9 HA CYS 2 HA CYS 2 2.444 3.271 0.860 10 1HB CYS 2 HB2 CYS 2 3.684 0.788 1.308 11 2HB CYS 2 HB1 CYS 2 3.565 0.978 -0.428 12 H LEU 3 HN LEU 3 0.110 1.032 0.442 13 HA LEU 3 HA LEU 3 -0.555 2.070 -2.201 14 1HB LEU 3 HB2 LEU 3 -0.451 -0.877 -1.590 15 2HB LEU 3 HB1 LEU 3 -1.127 -0.180 -3.043 16 HG LEU 3 HG LEU 3 1.225 0.818 -3.409 17 1HD1 LEU 3 HD11 LEU 3 2.927 0.206 -2.106 18 2HD1 LEU 3 HD12 LEU 3 2.403 -1.477 -2.065 19 3HD1 LEU 3 HD13 LEU 3 1.701 -0.309 -0.951 20 1HD2 LEU 3 HD21 LEU 3 -0.001 -1.201 -4.518 21 2HD2 LEU 3 HD22 LEU 3 1.190 -2.154 -3.633 22 3HD2 LEU 3 HD23 LEU 3 1.720 -0.943 -4.801 23 HA PRO 4 HA PRO 4 -4.534 2.345 -0.235 24 1HB PRO 4 HB2 PRO 4 -5.646 2.356 -2.969 25 2HB PRO 4 HB1 PRO 4 -5.755 3.584 -1.705 26 1HG PRO 4 HG2 PRO 4 -4.222 3.945 -3.868 27 2HG PRO 4 HG1 PRO 4 -3.729 4.541 -2.271 28 1HD PRO 4 HD2 PRO 4 -2.814 2.104 -3.754 29 2HD PRO 4 HD1 PRO 4 -1.870 3.263 -2.794 30 H TRP 5 HN TRP 5 -3.720 -0.098 -2.560 31 HA TRP 5 HA TRP 5 -6.063 -1.676 -1.724 32 1HB TRP 5 HB2 TRP 5 -5.242 -3.029 -3.883 33 2HB TRP 5 HB1 TRP 5 -6.360 -1.674 -3.981 34 HD1 TRP 5 HD1 TRP 5 -2.472 -1.868 -3.896 35 HE1 TRP 5 HE1 TRP 5 -1.573 -0.401 -5.810 36 HE3 TRP 5 HE3 TRP 5 -6.914 -0.268 -5.842 37 HZ2 TRP 5 HZ2 TRP 5 -2.613 1.224 -7.871 38 HZ3 TRP 5 HZ3 TRP 5 -6.879 1.242 -7.783 39 HH2 TRP 5 HH2 TRP 5 -4.771 1.973 -8.775 40 H SER 6 HN SER 6 -2.739 -1.421 -1.334 41 HA SER 6 HA SER 6 -2.610 -3.901 0.085 42 1HB SER 6 HB2 SER 6 -2.239 -4.404 -2.466 43 2HB SER 6 HB1 SER 6 -0.634 -3.741 -2.164 44 HG SER 6 HG SER 6 -1.821 -5.864 -0.700 45 H ASP 7 HN ASP 7 -2.154 -2.207 1.633 46 HA ASP 7 HA ASP 7 -0.507 -0.268 1.963 47 1HB ASP 7 HB2 ASP 7 -0.323 -2.738 3.696 48 2HB ASP 7 HB1 ASP 7 0.298 -1.154 4.149 49 H GLY 8 HN GLY 8 1.082 -3.443 2.347 50 1HA GLY 8 HA2 GLY 8 3.043 -4.152 1.252 51 2HA GLY 8 HA1 GLY 8 3.296 -2.508 0.686 52 HA PRO 9 HA PRO 9 5.989 -3.396 4.446 53 1HB PRO 9 HB2 PRO 9 8.398 -3.578 3.272 54 2HB PRO 9 HB1 PRO 9 7.314 -4.971 3.388 55 1HG PRO 9 HG2 PRO 9 7.811 -3.145 1.067 56 2HG PRO 9 HG1 PRO 9 7.664 -4.913 1.088 57 1HD PRO 9 HD2 PRO 9 5.629 -3.232 0.371 58 2HD PRO 9 HD1 PRO 9 5.372 -4.843 1.071 59 H CYS 10 HN CYS 10 5.160 -1.100 4.567 60 HA CYS 10 HA CYS 10 7.412 0.734 4.155 61 1HB CYS 10 HB2 CYS 10 4.600 1.066 3.185 62 2HB CYS 10 HB1 CYS 10 5.508 2.490 3.681 Start of MODEL 44 1 1H ALA 1 HT1 ALA 1 2.611 5.947 4.540 2 2H ALA 1 HT2 ALA 1 1.989 7.522 4.259 3 3H ALA 1 HT3 ALA 1 3.142 6.848 3.182 4 HA ALA 1 HA ALA 1 0.333 6.120 3.584 5 1HB ALA 1 HB1 ALA 1 2.006 7.195 1.353 6 2HB ALA 1 HB2 ALA 1 0.448 7.756 1.958 7 3HB ALA 1 HB3 ALA 1 0.541 6.280 0.998 8 H CYS 2 HN CYS 2 -0.265 4.058 3.353 9 HA CYS 2 HA CYS 2 1.751 2.075 2.757 10 1HB CYS 2 HB2 CYS 2 -0.570 2.236 4.374 11 2HB CYS 2 HB1 CYS 2 -0.863 0.985 3.186 12 H LEU 3 HN LEU 3 0.415 0.040 1.589 13 HA LEU 3 HA LEU 3 0.331 0.785 -1.125 14 1HB LEU 3 HB2 LEU 3 -0.228 -1.667 0.433 15 2HB LEU 3 HB1 LEU 3 -0.956 -1.580 -1.158 16 HG LEU 3 HG LEU 3 1.987 -1.432 -0.512 17 1HD1 LEU 3 HD11 LEU 3 2.185 -3.548 -1.441 18 2HD1 LEU 3 HD12 LEU 3 0.629 -3.442 -2.264 19 3HD1 LEU 3 HD13 LEU 3 0.688 -3.661 -0.515 20 1HD2 LEU 3 HD21 LEU 3 1.991 -0.088 -2.339 21 2HD2 LEU 3 HD22 LEU 3 0.455 -0.713 -2.941 22 3HD2 LEU 3 HD23 LEU 3 1.936 -1.643 -3.171 23 HA PRO 4 HA PRO 4 -3.763 2.643 -1.113 24 1HB PRO 4 HB2 PRO 4 -3.407 2.368 -4.048 25 2HB PRO 4 HB1 PRO 4 -3.819 3.795 -3.091 26 1HG PRO 4 HG2 PRO 4 -1.384 3.509 -4.133 27 2HG PRO 4 HG1 PRO 4 -1.611 4.212 -2.520 28 1HD PRO 4 HD2 PRO 4 -0.707 1.465 -3.284 29 2HD PRO 4 HD1 PRO 4 -0.145 2.513 -1.965 30 H TRP 5 HN TRP 5 -2.846 -0.268 -2.850 31 HA TRP 5 HA TRP 5 -5.685 -1.051 -2.942 32 1HB TRP 5 HB2 TRP 5 -4.319 -2.830 -4.590 33 2HB TRP 5 HB1 TRP 5 -5.307 -1.470 -5.108 34 HD1 TRP 5 HD1 TRP 5 -1.643 -2.491 -4.621 35 HE1 TRP 5 HE1 TRP 5 -0.155 -0.855 -5.937 36 HE3 TRP 5 HE3 TRP 5 -5.209 0.885 -6.042 37 HZ2 TRP 5 HZ2 TRP 5 -0.453 1.550 -7.384 38 HZ3 TRP 5 HZ3 TRP 5 -4.524 2.826 -7.390 39 HH2 TRP 5 HH2 TRP 5 -2.195 3.150 -8.046 40 H SER 6 HN SER 6 -2.908 -1.598 -1.211 41 HA SER 6 HA SER 6 -4.004 -3.918 0.040 42 1HB SER 6 HB2 SER 6 -1.308 -4.312 -1.252 43 2HB SER 6 HB1 SER 6 -2.360 -5.526 -0.525 44 HG SER 6 HG SER 6 -2.284 -4.679 -3.060 45 H ASP 7 HN ASP 7 -1.168 -4.659 0.846 46 HA ASP 7 HA ASP 7 -0.779 -2.463 2.765 47 1HB ASP 7 HB2 ASP 7 0.459 -4.486 4.014 48 2HB ASP 7 HB1 ASP 7 -1.260 -4.164 4.210 49 H GLY 8 HN GLY 8 1.266 -5.225 1.839 50 1HA GLY 8 HA2 GLY 8 3.407 -5.310 1.015 51 2HA GLY 8 HA1 GLY 8 3.129 -3.709 0.346 52 HA PRO 9 HA PRO 9 6.173 -3.561 3.963 53 1HB PRO 9 HB2 PRO 9 8.417 -2.944 2.591 54 2HB PRO 9 HB1 PRO 9 7.906 -4.614 2.867 55 1HG PRO 9 HG2 PRO 9 7.551 -2.902 0.434 56 2HG PRO 9 HG1 PRO 9 8.050 -4.601 0.543 57 1HD PRO 9 HD2 PRO 9 5.516 -3.849 -0.074 58 2HD PRO 9 HD1 PRO 9 5.888 -5.350 0.798 59 H CYS 10 HN CYS 10 4.762 -1.674 4.292 60 HA CYS 10 HA CYS 10 5.371 0.781 2.925 61 1HB CYS 10 HB2 CYS 10 3.804 0.474 5.487 62 2HB CYS 10 HB1 CYS 10 3.711 1.789 4.321 Start of MODEL 45 1 1H ALA 1 HT1 ALA 1 2.748 7.729 2.572 2 2H ALA 1 HT2 ALA 1 3.543 6.363 3.241 3 3H ALA 1 HT3 ALA 1 2.664 7.431 4.257 4 HA ALA 1 HA ALA 1 1.240 5.719 4.047 5 1HB ALA 1 HB1 ALA 1 0.304 7.948 3.328 6 2HB ALA 1 HB2 ALA 1 -0.589 6.528 2.781 7 3HB ALA 1 HB3 ALA 1 0.472 7.387 1.664 8 H CYS 2 HN CYS 2 1.031 3.700 3.313 9 HA CYS 2 HA CYS 2 2.439 2.921 0.916 10 1HB CYS 2 HB2 CYS 2 1.807 1.741 3.403 11 2HB CYS 2 HB1 CYS 2 1.010 0.780 2.173 12 H LEU 3 HN LEU 3 0.915 0.697 0.165 13 HA LEU 3 HA LEU 3 -1.160 2.013 -1.372 14 1HB LEU 3 HB2 LEU 3 0.377 -0.468 -1.554 15 2HB LEU 3 HB1 LEU 3 -1.284 -0.631 -2.050 16 HG LEU 3 HG LEU 3 0.627 -0.017 -3.763 17 1HD1 LEU 3 HD11 LEU 3 -1.587 1.616 -4.508 18 2HD1 LEU 3 HD12 LEU 3 -2.182 0.182 -3.673 19 3HD1 LEU 3 HD13 LEU 3 -1.143 0.011 -5.087 20 1HD2 LEU 3 HD21 LEU 3 1.002 2.257 -4.110 21 2HD2 LEU 3 HD22 LEU 3 1.129 2.072 -2.360 22 3HD2 LEU 3 HD23 LEU 3 -0.342 2.734 -3.072 23 HA PRO 4 HA PRO 4 -4.299 1.007 1.701 24 1HB PRO 4 HB2 PRO 4 -5.953 1.537 -0.731 25 2HB PRO 4 HB1 PRO 4 -6.161 2.132 0.921 26 1HG PRO 4 HG2 PRO 4 -5.171 3.725 -0.952 27 2HG PRO 4 HG1 PRO 4 -4.496 3.741 0.689 28 1HD PRO 4 HD2 PRO 4 -3.391 2.532 -1.805 29 2HD PRO 4 HD1 PRO 4 -2.542 3.310 -0.453 30 H TRP 5 HN TRP 5 -3.766 -0.470 -1.412 31 HA TRP 5 HA TRP 5 -4.788 -2.984 -0.447 32 1HB TRP 5 HB2 TRP 5 -6.253 -3.024 -2.689 33 2HB TRP 5 HB1 TRP 5 -6.899 -2.450 -1.153 34 HD1 TRP 5 HD1 TRP 5 -8.004 -0.136 -1.251 35 HE1 TRP 5 HE1 TRP 5 -7.898 1.890 -2.836 36 HE3 TRP 5 HE3 TRP 5 -4.380 -1.779 -4.451 37 HZ2 TRP 5 HZ2 TRP 5 -6.482 2.684 -5.139 38 HZ3 TRP 5 HZ3 TRP 5 -3.705 -0.330 -6.321 39 HH2 TRP 5 HH2 TRP 5 -4.736 1.857 -6.656 40 H SER 6 HN SER 6 -2.220 -2.016 -1.437 41 HA SER 6 HA SER 6 -1.698 -4.139 -3.278 42 1HB SER 6 HB2 SER 6 -2.412 -1.642 -4.410 43 2HB SER 6 HB1 SER 6 -0.688 -1.872 -4.699 44 HG SER 6 HG SER 6 -2.833 -3.559 -5.445 45 H ASP 7 HN ASP 7 -0.714 -2.762 -0.727 46 HA ASP 7 HA ASP 7 1.913 -3.615 -0.860 47 1HB ASP 7 HB2 ASP 7 1.865 -1.359 -2.298 48 2HB ASP 7 HB1 ASP 7 2.103 -0.660 -0.699 49 H GLY 8 HN GLY 8 1.009 -4.448 1.101 50 1HA GLY 8 HA2 GLY 8 0.189 -2.768 3.237 51 2HA GLY 8 HA1 GLY 8 0.618 -4.467 3.365 52 HA PRO 9 HA PRO 9 4.501 -3.653 5.270 53 1HB PRO 9 HB2 PRO 9 6.438 -4.560 3.531 54 2HB PRO 9 HB1 PRO 9 5.497 -5.595 4.610 55 1HG PRO 9 HG2 PRO 9 5.093 -5.020 1.704 56 2HG PRO 9 HG1 PRO 9 4.937 -6.556 2.576 57 1HD PRO 9 HD2 PRO 9 2.785 -5.120 1.870 58 2HD PRO 9 HD1 PRO 9 2.837 -6.020 3.400 59 H CYS 10 HN CYS 10 5.397 -1.726 5.566 60 HA CYS 10 HA CYS 10 6.462 -0.279 3.239 61 1HB CYS 10 HB2 CYS 10 4.233 0.493 4.840 62 2HB CYS 10 HB1 CYS 10 5.549 1.614 5.171 Start of MODEL 46 1 1H ALA 1 HT1 ALA 1 4.761 5.218 1.542 2 2H ALA 1 HT2 ALA 1 4.552 6.859 2.000 3 3H ALA 1 HT3 ALA 1 4.238 6.370 0.385 4 HA ALA 1 HA ALA 1 2.719 5.814 2.823 5 1HB ALA 1 HB1 ALA 1 2.231 7.191 0.215 6 2HB ALA 1 HB2 ALA 1 1.924 7.758 1.857 7 3HB ALA 1 HB3 ALA 1 0.881 6.531 1.139 8 H CYS 2 HN CYS 2 3.770 3.545 2.324 9 HA CYS 2 HA CYS 2 3.269 1.844 0.355 10 1HB CYS 2 HB2 CYS 2 2.444 0.407 2.667 11 2HB CYS 2 HB1 CYS 2 4.003 0.408 1.867 12 H LEU 3 HN LEU 3 1.613 0.873 -0.666 13 HA LEU 3 HA LEU 3 -0.970 1.840 -0.571 14 1HB LEU 3 HB2 LEU 3 0.179 -0.746 -1.557 15 2HB LEU 3 HB1 LEU 3 -1.541 -0.442 -1.653 16 HG LEU 3 HG LEU 3 0.154 0.099 -3.652 17 1HD1 LEU 3 HD11 LEU 3 -1.643 0.998 -4.665 18 2HD1 LEU 3 HD12 LEU 3 -1.965 2.124 -3.346 19 3HD1 LEU 3 HD13 LEU 3 -2.464 0.438 -3.209 20 1HD2 LEU 3 HD21 LEU 3 0.011 2.664 -2.069 21 2HD2 LEU 3 HD22 LEU 3 0.568 2.525 -3.737 22 3HD2 LEU 3 HD23 LEU 3 1.465 1.736 -2.440 23 HA PRO 4 HA PRO 4 -2.191 0.214 3.482 24 1HB PRO 4 HB2 PRO 4 -4.789 1.209 2.401 25 2HB PRO 4 HB1 PRO 4 -4.061 1.464 3.991 26 1HG PRO 4 HG2 PRO 4 -4.030 3.403 2.179 27 2HG PRO 4 HG1 PRO 4 -2.618 3.111 3.211 28 1HD PRO 4 HD2 PRO 4 -3.046 2.415 0.340 29 2HD PRO 4 HD1 PRO 4 -1.565 2.939 1.167 30 H TRP 5 HN TRP 5 -3.528 -0.511 0.338 31 HA TRP 5 HA TRP 5 -4.325 -3.150 1.329 32 1HB TRP 5 HB2 TRP 5 -6.370 -2.881 -0.275 33 2HB TRP 5 HB1 TRP 5 -6.441 -2.192 1.344 34 HD1 TRP 5 HD1 TRP 5 -5.540 -1.001 -2.240 35 HE1 TRP 5 HE1 TRP 5 -6.310 1.442 -2.480 36 HE3 TRP 5 HE3 TRP 5 -7.262 -0.224 2.509 37 HZ2 TRP 5 HZ2 TRP 5 -7.487 3.435 -0.870 38 HZ3 TRP 5 HZ3 TRP 5 -8.194 1.980 3.079 39 HH2 TRP 5 HH2 TRP 5 -8.303 3.772 1.423 40 H SER 6 HN SER 6 -2.086 -2.112 -0.326 41 HA SER 6 HA SER 6 -2.267 -4.080 -2.411 42 1HB SER 6 HB2 SER 6 -1.593 -1.353 -3.423 43 2HB SER 6 HB1 SER 6 -2.291 -2.727 -4.278 44 HG SER 6 HG SER 6 -3.774 -0.971 -3.866 45 H ASP 7 HN ASP 7 -0.107 -2.510 -3.861 46 HA ASP 7 HA ASP 7 2.112 -3.775 -2.763 47 1HB ASP 7 HB2 ASP 7 1.964 -3.002 -5.109 48 2HB ASP 7 HB1 ASP 7 2.089 -1.337 -4.550 49 H GLY 8 HN GLY 8 2.054 -3.264 -0.522 50 1HA GLY 8 HA2 GLY 8 3.913 -1.513 0.406 51 2HA GLY 8 HA1 GLY 8 2.453 -0.543 0.344 52 HA PRO 9 HA PRO 9 2.116 -3.837 3.858 53 1HB PRO 9 HB2 PRO 9 4.399 -4.232 5.209 54 2HB PRO 9 HB1 PRO 9 4.014 -5.158 3.752 55 1HG PRO 9 HG2 PRO 9 5.818 -2.791 4.072 56 2HG PRO 9 HG1 PRO 9 6.073 -4.273 3.133 57 1HD PRO 9 HD2 PRO 9 5.229 -1.899 2.048 58 2HD PRO 9 HD1 PRO 9 4.875 -3.489 1.346 59 H CYS 10 HN CYS 10 1.526 -1.213 3.909 60 HA CYS 10 HA CYS 10 2.824 0.126 6.110 61 1HB CYS 10 HB2 CYS 10 1.021 0.848 3.970 62 2HB CYS 10 HB1 CYS 10 0.426 1.465 5.507 Start of MODEL 47 1 1H ALA 1 HT1 ALA 1 2.380 -0.133 4.207 2 2H ALA 1 HT2 ALA 1 1.397 -1.204 5.120 3 3H ALA 1 HT3 ALA 1 1.816 0.332 5.758 4 HA ALA 1 HA ALA 1 -0.056 -0.364 3.632 5 1HB ALA 1 HB1 ALA 1 -1.086 -0.166 5.729 6 2HB ALA 1 HB2 ALA 1 -1.385 1.379 4.932 7 3HB ALA 1 HB3 ALA 1 -0.128 1.250 6.162 8 H CYS 2 HN CYS 2 1.968 0.533 2.286 9 HA CYS 2 HA CYS 2 1.776 3.433 2.082 10 1HB CYS 2 HB2 CYS 2 3.893 1.582 1.928 11 2HB CYS 2 HB1 CYS 2 3.713 2.273 0.329 12 H LEU 3 HN LEU 3 -0.009 1.150 0.959 13 HA LEU 3 HA LEU 3 -0.613 2.535 -1.498 14 1HB LEU 3 HB2 LEU 3 -0.569 -0.231 -2.231 15 2HB LEU 3 HB1 LEU 3 0.243 1.125 -2.985 16 HG LEU 3 HG LEU 3 1.485 -0.088 -0.557 17 1HD1 LEU 3 HD11 LEU 3 0.707 -1.805 -2.452 18 2HD1 LEU 3 HD12 LEU 3 2.211 -1.984 -1.550 19 3HD1 LEU 3 HD13 LEU 3 2.229 -1.266 -3.161 20 1HD2 LEU 3 HD21 LEU 3 3.184 0.493 -2.815 21 2HD2 LEU 3 HD22 LEU 3 3.219 1.156 -1.182 22 3HD2 LEU 3 HD23 LEU 3 2.179 1.883 -2.406 23 HA PRO 4 HA PRO 4 -4.671 1.549 0.066 24 1HB PRO 4 HB2 PRO 4 -5.458 2.027 -2.761 25 2HB PRO 4 HB1 PRO 4 -6.091 2.749 -1.277 26 1HG PRO 4 HG2 PRO 4 -4.491 4.138 -2.891 27 2HG PRO 4 HG1 PRO 4 -4.360 4.285 -1.128 28 1HD PRO 4 HD2 PRO 4 -2.614 2.797 -3.044 29 2HD PRO 4 HD1 PRO 4 -2.172 3.713 -1.588 30 H TRP 5 HN TRP 5 -4.335 0.513 -3.333 31 HA TRP 5 HA TRP 5 -5.951 -1.728 -3.167 32 1HB TRP 5 HB2 TRP 5 -4.464 -2.562 -5.134 33 2HB TRP 5 HB1 TRP 5 -5.427 -1.104 -5.342 34 HD1 TRP 5 HD1 TRP 5 -1.839 -1.721 -3.957 35 HE1 TRP 5 HE1 TRP 5 -0.263 -0.027 -5.086 36 HE3 TRP 5 HE3 TRP 5 -5.227 0.676 -6.941 37 HZ2 TRP 5 HZ2 TRP 5 -0.436 2.053 -6.987 38 HZ3 TRP 5 HZ3 TRP 5 -4.441 2.509 -8.384 39 HH2 TRP 5 HH2 TRP 5 -2.095 3.182 -8.404 40 H SER 6 HN SER 6 -2.728 -1.292 -2.009 41 HA SER 6 HA SER 6 -2.779 -3.911 -0.799 42 1HB SER 6 HB2 SER 6 -0.666 -3.188 -2.842 43 2HB SER 6 HB1 SER 6 -0.520 -4.530 -1.708 44 HG SER 6 HG SER 6 -1.600 -4.661 -4.030 45 H ASP 7 HN ASP 7 -2.322 -3.408 1.233 46 HA ASP 7 HA ASP 7 -1.307 -1.145 2.286 47 1HB ASP 7 HB2 ASP 7 -0.283 -2.801 4.111 48 2HB ASP 7 HB1 ASP 7 -2.015 -2.526 3.960 49 H GLY 8 HN GLY 8 0.903 -3.916 2.449 50 1HA GLY 8 HA2 GLY 8 3.158 -4.078 2.075 51 2HA GLY 8 HA1 GLY 8 2.951 -2.832 0.855 52 HA PRO 9 HA PRO 9 4.752 -1.113 4.998 53 1HB PRO 9 HB2 PRO 9 7.248 -2.104 5.248 54 2HB PRO 9 HB1 PRO 9 5.840 -2.913 5.947 55 1HG PRO 9 HG2 PRO 9 7.308 -3.517 3.409 56 2HG PRO 9 HG1 PRO 9 6.691 -4.637 4.638 57 1HD PRO 9 HD2 PRO 9 5.394 -4.125 2.296 58 2HD PRO 9 HD1 PRO 9 4.557 -4.587 3.791 59 H CYS 10 HN CYS 10 5.566 0.867 4.704 60 HA CYS 10 HA CYS 10 6.534 1.768 2.239 61 1HB CYS 10 HB2 CYS 10 6.850 3.024 4.973 62 2HB CYS 10 HB1 CYS 10 7.118 3.849 3.441 Start of MODEL 48 1 1H ALA 1 HT1 ALA 1 1.919 5.996 5.242 2 2H ALA 1 HT2 ALA 1 3.380 5.182 4.854 3 3H ALA 1 HT3 ALA 1 1.959 4.283 5.198 4 HA ALA 1 HA ALA 1 0.935 5.469 3.270 5 1HB ALA 1 HB1 ALA 1 2.649 7.200 3.073 6 2HB ALA 1 HB2 ALA 1 2.500 6.271 1.582 7 3HB ALA 1 HB3 ALA 1 3.849 5.970 2.677 8 H CYS 2 HN CYS 2 0.463 3.158 3.531 9 HA CYS 2 HA CYS 2 2.313 1.288 2.335 10 1HB CYS 2 HB2 CYS 2 0.215 1.178 4.225 11 2HB CYS 2 HB1 CYS 2 -0.275 0.184 2.868 12 H LEU 3 HN LEU 3 0.715 -0.478 1.041 13 HA LEU 3 HA LEU 3 0.437 0.663 -1.507 14 1HB LEU 3 HB2 LEU 3 -0.076 -1.943 -0.258 15 2HB LEU 3 HB1 LEU 3 -1.095 -1.600 -1.643 16 HG LEU 3 HG LEU 3 1.923 -1.628 -1.615 17 1HD1 LEU 3 HD11 LEU 3 0.997 -3.851 -1.536 18 2HD1 LEU 3 HD12 LEU 3 1.628 -3.537 -3.152 19 3HD1 LEU 3 HD13 LEU 3 -0.109 -3.474 -2.856 20 1HD2 LEU 3 HD21 LEU 3 -0.065 -0.859 -3.727 21 2HD2 LEU 3 HD22 LEU 3 1.550 -1.438 -4.136 22 3HD2 LEU 3 HD23 LEU 3 1.356 0.025 -3.171 23 HA PRO 4 HA PRO 4 -3.478 2.742 -1.255 24 1HB PRO 4 HB2 PRO 4 -3.724 1.976 -4.116 25 2HB PRO 4 HB1 PRO 4 -3.830 3.571 -3.364 26 1HG PRO 4 HG2 PRO 4 -1.672 2.863 -4.753 27 2HG PRO 4 HG1 PRO 4 -1.528 3.826 -3.270 28 1HD PRO 4 HD2 PRO 4 -1.002 0.914 -3.701 29 2HD PRO 4 HD1 PRO 4 -0.123 2.084 -2.694 30 H TRP 5 HN TRP 5 -3.308 -0.323 -3.046 31 HA TRP 5 HA TRP 5 -6.057 -0.908 -2.175 32 1HB TRP 5 HB2 TRP 5 -5.263 -2.827 -4.089 33 2HB TRP 5 HB1 TRP 5 -6.431 -1.528 -4.287 34 HD1 TRP 5 HD1 TRP 5 -5.803 0.397 -5.915 35 HE1 TRP 5 HE1 TRP 5 -3.750 0.924 -7.376 36 HE3 TRP 5 HE3 TRP 5 -2.569 -3.099 -4.060 37 HZ2 TRP 5 HZ2 TRP 5 -1.108 -0.018 -7.698 38 HZ3 TRP 5 HZ3 TRP 5 -0.298 -3.221 -4.998 39 HH2 TRP 5 HH2 TRP 5 0.416 -1.712 -6.780 40 H SER 6 HN SER 6 -3.026 -1.498 -1.165 41 HA SER 6 HA SER 6 -3.825 -3.907 0.212 42 1HB SER 6 HB2 SER 6 -1.194 -4.015 -1.235 43 2HB SER 6 HB1 SER 6 -2.170 -5.341 -0.603 44 HG SER 6 HG SER 6 -2.884 -5.486 -2.568 45 H ASP 7 HN ASP 7 -0.890 -4.368 0.785 46 HA ASP 7 HA ASP 7 -0.375 -2.021 2.471 47 1HB ASP 7 HB2 ASP 7 0.596 -3.931 4.082 48 2HB ASP 7 HB1 ASP 7 -1.066 -3.361 4.185 49 H GLY 8 HN GLY 8 1.341 -5.117 2.203 50 1HA GLY 8 HA2 GLY 8 3.546 -5.560 1.735 51 2HA GLY 8 HA1 GLY 8 3.291 -4.484 0.372 52 HA PRO 9 HA PRO 9 6.482 -2.077 2.363 53 1HB PRO 9 HB2 PRO 9 6.549 -0.015 0.623 54 2HB PRO 9 HB1 PRO 9 7.213 -1.605 0.228 55 1HG PRO 9 HG2 PRO 9 4.576 -0.412 -0.537 56 2HG PRO 9 HG1 PRO 9 5.715 -1.339 -1.531 57 1HD PRO 9 HD2 PRO 9 3.489 -2.433 -0.414 58 2HD PRO 9 HD1 PRO 9 4.972 -3.358 -0.721 59 H CYS 10 HN CYS 10 5.773 -1.243 4.260 60 HA CYS 10 HA CYS 10 3.854 0.983 4.168 61 1HB CYS 10 HB2 CYS 10 4.181 -1.281 5.937 62 2HB CYS 10 HB1 CYS 10 4.238 0.226 6.845 Start of MODEL 49 1 1H ALA 1 HT1 ALA 1 -1.719 1.565 5.590 2 2H ALA 1 HT2 ALA 1 -0.488 2.664 5.120 3 3H ALA 1 HT3 ALA 1 -0.150 0.984 5.220 4 HA ALA 1 HA ALA 1 -1.376 0.485 3.379 5 1HB ALA 1 HB1 ALA 1 -2.567 3.233 3.685 6 2HB ALA 1 HB2 ALA 1 -3.382 1.679 3.858 7 3HB ALA 1 HB3 ALA 1 -2.817 2.207 2.273 8 H CYS 2 HN CYS 2 0.925 0.476 2.859 9 HA CYS 2 HA CYS 2 1.975 2.855 1.615 10 1HB CYS 2 HB2 CYS 2 3.050 0.640 2.982 11 2HB CYS 2 HB1 CYS 2 3.671 0.565 1.345 12 H LEU 3 HN LEU 3 -0.047 0.607 0.621 13 HA LEU 3 HA LEU 3 0.945 0.653 -2.147 14 1HB LEU 3 HB2 LEU 3 -0.212 -1.571 -0.540 15 2HB LEU 3 HB1 LEU 3 -0.609 -1.504 -2.241 16 HG LEU 3 HG LEU 3 1.638 -2.674 -1.041 17 1HD1 LEU 3 HD11 LEU 3 1.728 -2.200 -3.941 18 2HD1 LEU 3 HD12 LEU 3 0.244 -2.928 -3.327 19 3HD1 LEU 3 HD13 LEU 3 1.797 -3.707 -3.027 20 1HD2 LEU 3 HD21 LEU 3 2.451 -0.289 -2.698 21 2HD2 LEU 3 HD22 LEU 3 3.517 -1.591 -2.174 22 3HD2 LEU 3 HD23 LEU 3 2.774 -0.531 -0.981 23 HA PRO 4 HA PRO 4 -2.868 2.300 -3.596 24 1HB PRO 4 HB2 PRO 4 -3.359 -0.053 -5.324 25 2HB PRO 4 HB1 PRO 4 -3.143 1.643 -5.769 26 1HG PRO 4 HG2 PRO 4 -1.233 -0.153 -6.257 27 2HG PRO 4 HG1 PRO 4 -0.827 1.493 -5.733 28 1HD PRO 4 HD2 PRO 4 -0.894 -1.044 -4.137 29 2HD PRO 4 HD1 PRO 4 0.302 0.270 -4.111 30 H TRP 5 HN TRP 5 -2.961 -1.089 -2.680 31 HA TRP 5 HA TRP 5 -5.809 -0.801 -1.999 32 1HB TRP 5 HB2 TRP 5 -5.479 -3.450 -1.826 33 2HB TRP 5 HB1 TRP 5 -5.872 -2.644 -3.340 34 HD1 TRP 5 HD1 TRP 5 -2.582 -3.598 -1.488 35 HE1 TRP 5 HE1 TRP 5 -0.932 -4.506 -3.241 36 HE3 TRP 5 HE3 TRP 5 -5.461 -3.048 -5.676 37 HZ2 TRP 5 HZ2 TRP 5 -0.858 -4.930 -6.031 38 HZ3 TRP 5 HZ3 TRP 5 -4.527 -3.728 -7.848 39 HH2 TRP 5 HH2 TRP 5 -2.271 -4.648 -8.020 40 H SER 6 HN SER 6 -3.713 0.213 -0.336 41 HA SER 6 HA SER 6 -3.090 0.277 1.850 42 1HB SER 6 HB2 SER 6 -5.684 -0.109 1.967 43 2HB SER 6 HB1 SER 6 -5.224 -1.706 2.557 44 HG SER 6 HG SER 6 -4.178 -0.759 4.271 45 H ASP 7 HN ASP 7 -1.177 -0.956 1.049 46 HA ASP 7 HA ASP 7 -0.669 -3.159 2.779 47 1HB ASP 7 HB2 ASP 7 -1.847 -3.926 0.467 48 2HB ASP 7 HB1 ASP 7 -0.161 -3.920 -0.041 49 H GLY 8 HN GLY 8 1.500 -4.119 1.035 50 1HA GLY 8 HA2 GLY 8 3.702 -3.678 0.583 51 2HA GLY 8 HA1 GLY 8 3.212 -2.022 0.269 52 HA PRO 9 HA PRO 9 5.140 -2.439 4.631 53 1HB PRO 9 HB2 PRO 9 7.604 -3.454 4.492 54 2HB PRO 9 HB1 PRO 9 6.189 -4.510 4.571 55 1HG PRO 9 HG2 PRO 9 7.854 -3.747 2.210 56 2HG PRO 9 HG1 PRO 9 7.154 -5.320 2.625 57 1HD PRO 9 HD2 PRO 9 6.065 -3.522 0.818 58 2HD PRO 9 HD1 PRO 9 5.164 -4.814 1.633 59 H CYS 10 HN CYS 10 5.408 -0.270 4.806 60 HA CYS 10 HA CYS 10 6.872 1.380 3.105 61 1HB CYS 10 HB2 CYS 10 6.242 1.795 6.035 62 2HB CYS 10 HB1 CYS 10 6.778 3.051 4.926 Start of MODEL 50 1 1H ALA 1 HT1 ALA 1 1.449 6.966 4.722 2 2H ALA 1 HT2 ALA 1 2.496 6.990 3.362 3 3H ALA 1 HT3 ALA 1 2.460 5.620 4.397 4 HA ALA 1 HA ALA 1 0.011 5.528 3.791 5 1HB ALA 1 HB1 ALA 1 -0.512 7.341 2.540 6 2HB ALA 1 HB2 ALA 1 0.024 6.290 1.230 7 3HB ALA 1 HB3 ALA 1 1.120 7.503 1.892 8 H CYS 2 HN CYS 2 -0.054 3.428 3.361 9 HA CYS 2 HA CYS 2 2.122 2.153 1.949 10 1HB CYS 2 HB2 CYS 2 0.314 1.448 4.003 11 2HB CYS 2 HB1 CYS 2 -0.010 0.375 2.656 12 H LEU 3 HN LEU 3 0.746 -0.021 0.838 13 HA LEU 3 HA LEU 3 0.176 0.873 -1.721 14 1HB LEU 3 HB2 LEU 3 0.216 -1.605 -0.345 15 2HB LEU 3 HB1 LEU 3 -1.297 -1.528 -1.227 16 HG LEU 3 HG LEU 3 1.049 -0.731 -2.805 17 1HD1 LEU 3 HD11 LEU 3 0.972 -3.315 -1.376 18 2HD1 LEU 3 HD12 LEU 3 2.345 -2.391 -1.985 19 3HD1 LEU 3 HD13 LEU 3 1.381 -3.370 -3.091 20 1HD2 LEU 3 HD21 LEU 3 -0.707 -2.946 -3.622 21 2HD2 LEU 3 HD22 LEU 3 -0.193 -1.513 -4.512 22 3HD2 LEU 3 HD23 LEU 3 -1.509 -1.401 -3.344 23 HA PRO 4 HA PRO 4 -3.798 2.850 -1.401 24 1HB PRO 4 HB2 PRO 4 -4.089 1.787 -4.173 25 2HB PRO 4 HB1 PRO 4 -4.337 3.428 -3.566 26 1HG PRO 4 HG2 PRO 4 -2.153 2.835 -4.948 27 2HG PRO 4 HG1 PRO 4 -2.058 3.898 -3.530 28 1HD PRO 4 HD2 PRO 4 -1.283 1.025 -3.804 29 2HD PRO 4 HD1 PRO 4 -0.497 2.323 -2.883 30 H TRP 5 HN TRP 5 -3.781 -0.188 -3.261 31 HA TRP 5 HA TRP 5 -6.239 -0.974 -1.843 32 1HB TRP 5 HB2 TRP 5 -6.236 -2.596 -4.014 33 2HB TRP 5 HB1 TRP 5 -7.040 -1.031 -3.963 34 HD1 TRP 5 HD1 TRP 5 -6.322 0.679 -5.755 35 HE1 TRP 5 HE1 TRP 5 -4.434 0.813 -7.498 36 HE3 TRP 5 HE3 TRP 5 -3.586 -3.377 -4.296 37 HZ2 TRP 5 HZ2 TRP 5 -2.090 -0.613 -8.165 38 HZ3 TRP 5 HZ3 TRP 5 -1.532 -3.927 -5.536 39 HH2 TRP 5 HH2 TRP 5 -0.800 -2.572 -7.430 40 H SER 6 HN SER 6 -3.399 -1.409 -1.047 41 HA SER 6 HA SER 6 -3.661 -4.210 -0.428 42 1HB SER 6 HB2 SER 6 -2.346 -3.791 -2.709 43 2HB SER 6 HB1 SER 6 -1.013 -3.476 -1.598 44 HG SER 6 HG SER 6 -1.194 -5.696 -2.251 45 H ASP 7 HN ASP 7 -0.711 -4.220 0.210 46 HA ASP 7 HA ASP 7 -0.600 -2.244 2.356 47 1HB ASP 7 HB2 ASP 7 0.372 -4.318 3.744 48 2HB ASP 7 HB1 ASP 7 -1.332 -3.880 3.768 49 H GLY 8 HN GLY 8 1.342 -5.149 1.687 50 1HA GLY 8 HA2 GLY 8 3.551 -5.390 1.113 51 2HA GLY 8 HA1 GLY 8 3.429 -3.818 0.335 52 HA PRO 9 HA PRO 9 6.297 -3.540 4.035 53 1HB PRO 9 HB2 PRO 9 8.362 -2.382 2.700 54 2HB PRO 9 HB1 PRO 9 8.163 -4.132 2.836 55 1HG PRO 9 HG2 PRO 9 7.445 -2.315 0.568 56 2HG PRO 9 HG1 PRO 9 8.221 -3.909 0.522 57 1HD PRO 9 HD2 PRO 9 5.591 -3.563 -0.002 58 2HD PRO 9 HD1 PRO 9 6.220 -5.030 0.776 59 H CYS 10 HN CYS 10 6.538 -1.729 5.269 60 HA CYS 10 HA CYS 10 6.273 0.906 4.071 61 1HB CYS 10 HB2 CYS 10 4.121 -0.422 5.536 62 2HB CYS 10 HB1 CYS 10 4.547 1.143 6.220
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