NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
4945 | 1g2g | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 HT1 GLY 1 -3.926 5.666 -4.553 2 2H GLY 1 HT2 GLY 1 -5.431 5.693 -5.343 3 3H GLY 1 HT3 GLY 1 -4.340 4.418 -5.626 4 1HA GLY 1 HA2 GLY 1 -5.621 5.031 -3.054 5 2HA GLY 1 HA1 GLY 1 -6.098 3.716 -4.211 6 H CYS 2 HN CYS 2 -4.941 3.768 -1.294 7 HA CYS 2 HA CYS 2 -2.317 2.864 -1.444 8 1HB CYS 2 HB2 CYS 2 -3.492 3.666 0.678 9 2HB CYS 2 HB1 CYS 2 -4.382 2.140 0.740 10 H CYS 3 HN CYS 3 -5.360 1.117 -0.968 11 HA CYS 3 HA CYS 3 -4.261 -1.441 -1.001 12 1HB CYS 3 HB2 CYS 3 -7.122 -0.722 -1.827 13 2HB CYS 3 HB1 CYS 3 -6.551 -2.291 -1.172 14 H SER 4 HN SER 4 -4.909 0.721 -3.638 15 HA SER 4 HA SER 4 -5.078 -1.325 -5.631 16 1HB SER 4 HB2 SER 4 -4.571 1.686 -6.055 17 2HB SER 4 HB1 SER 4 -5.301 0.500 -7.203 18 HG SER 4 HG SER 4 -6.912 1.693 -6.251 19 H ASP 5 HN ASP 5 -2.665 1.184 -4.521 20 HA ASP 5 HA ASP 5 -0.912 0.497 -6.632 21 1HB ASP 5 HB2 ASP 5 -1.025 2.778 -5.815 22 2HB ASP 5 HB1 ASP 5 -0.478 2.267 -4.175 23 HA PRO 6 HA PRO 6 0.568 -2.997 -4.414 24 1HB PRO 6 HB2 PRO 6 3.147 -2.600 -6.066 25 2HB PRO 6 HB1 PRO 6 2.269 -4.152 -5.748 26 1HG PRO 6 HG1 PRO 6 1.915 -2.833 -8.124 27 2HG PRO 6 HG2 PRO 6 0.480 -3.520 -7.254 28 1HD PRO 6 HD1 PRO 6 1.388 -0.592 -7.358 29 2HD PRO 6 HD2 PRO 6 -0.283 -1.319 -7.353 30 H ARG 7 HN ARG 7 2.656 -0.159 -4.486 31 HA ARG 7 HA ARG 7 4.521 -1.193 -2.570 32 1HB ARG 7 HB2 ARG 7 4.072 1.693 -3.519 33 2HB ARG 7 HB1 ARG 7 5.510 1.086 -2.632 34 1HG ARG 7 HG2 ARG 7 6.104 -0.398 -4.536 35 2HG ARG 7 HG1 ARG 7 4.669 0.152 -5.463 36 1HD ARG 7 HD2 ARG 7 6.992 1.968 -4.528 37 2HD ARG 7 HD1 ARG 7 6.764 1.336 -6.205 38 HE ARG 7 HE ARG 7 4.966 3.287 -4.737 39 1HH1 ARG 7 HH21 ARG 7 5.799 1.636 -7.810 40 2HH1 ARG 7 HH22 ARG 7 4.780 2.654 -8.771 41 1HH2 ARG 7 HH11 ARG 7 3.666 4.664 -6.064 42 2HH2 ARG 7 HH12 ARG 7 3.554 4.388 -7.769 43 H CYS 8 HN CYS 8 1.400 0.100 -2.401 44 HA CYS 8 HA CYS 8 1.786 0.852 0.433 45 1HB CYS 8 HB2 CYS 8 0.976 2.654 -1.201 46 2HB CYS 8 HB1 CYS 8 -0.504 1.696 -1.427 47 H ALA 9 HN ALA 9 -0.056 -1.027 -2.012 48 HA ALA 9 HA ALA 9 -2.123 -1.848 -0.658 49 1HB ALA 9 HB1 ALA 9 -0.528 -3.648 -2.568 50 2HB ALA 9 HB2 ALA 9 -1.721 -2.383 -3.060 51 3HB ALA 9 HB3 ALA 9 -2.275 -3.825 -2.152 52 H TRP 10 HN TRP 10 1.090 -3.173 -0.054 53 HA TRP 10 HA TRP 10 0.232 -5.515 1.271 54 1HB TRP 10 HB2 TRP 10 2.533 -5.581 2.255 55 2HB TRP 10 HB1 TRP 10 2.538 -5.363 0.476 56 HD1 TRP 10 HD1 TRP 10 3.032 -2.697 -0.383 57 HE1 TRP 10 HE1 TRP 10 4.351 -0.826 0.666 58 HE3 TRP 10 HE3 TRP 10 3.392 -4.668 4.297 59 HZ2 TRP 10 HZ2 TRP 10 5.697 -0.360 3.211 60 HZ3 TRP 10 HZ3 TRP 10 4.683 -3.451 6.021 61 HH2 TRP 10 HH2 TRP 10 5.821 -1.326 5.484 62 H ARG 11 HN ARG 11 0.337 -2.126 2.232 63 HA ARG 11 HA ARG 11 0.431 -2.675 5.049 64 1HB ARG 11 HB2 ARG 11 -0.424 -0.093 3.592 65 2HB ARG 11 HB1 ARG 11 0.089 -0.233 5.308 66 1HG ARG 11 HG2 ARG 11 2.418 -0.755 4.568 67 2HG ARG 11 HG1 ARG 11 1.874 -0.816 2.857 68 1HD ARG 11 HD2 ARG 11 1.111 1.634 3.090 69 2HD ARG 11 HD1 ARG 11 2.030 1.684 4.658 70 HE ARG 11 HE ARG 11 3.748 0.573 2.648 71 1HH1 ARG 11 HH21 ARG 11 2.096 3.674 3.326 72 2HH1 ARG 11 HH22 ARG 11 3.229 4.627 2.429 73 1HH2 ARG 11 HH11 ARG 11 5.242 1.871 1.427 74 2HH2 ARG 11 HH12 ARG 11 5.058 3.591 1.351 75 H CYS 12 HN CYS 12 -1.848 -2.268 2.455 76 HA CYS 12 HA CYS 12 -4.165 -1.863 4.139 77 1HB CYS 12 HB2 CYS 12 -4.083 -0.793 1.899 78 2HB CYS 12 HB1 CYS 12 -3.862 -2.393 1.124 79 1HN NH2 13 H1 NH2 13 -3.650 -5.755 2.732 80 2HN NH2 13 H2 NH2 13 -2.881 -4.440 1.886 Start of MODEL 2 1 1H GLY 1 HT1 GLY 1 -9.073 2.422 -3.901 2 2H GLY 1 HT2 GLY 1 -7.900 2.105 -2.712 3 3H GLY 1 HT3 GLY 1 -7.621 1.641 -4.320 4 1HA GLY 1 HA2 GLY 1 -7.588 3.892 -5.019 5 2HA GLY 1 HA1 GLY 1 -7.841 4.391 -3.291 6 H CYS 2 HN CYS 2 -6.121 3.990 -1.755 7 HA CYS 2 HA CYS 2 -3.513 4.237 -2.775 8 1HB CYS 2 HB2 CYS 2 -4.325 4.988 -0.467 9 2HB CYS 2 HB1 CYS 2 -4.362 3.292 0.057 10 H CYS 3 HN CYS 3 -5.292 1.659 -1.171 11 HA CYS 3 HA CYS 3 -3.356 -0.290 -1.153 12 1HB CYS 3 HB2 CYS 3 -6.399 -0.719 -1.278 13 2HB CYS 3 HB1 CYS 3 -5.192 -1.860 -0.609 14 H SER 4 HN SER 4 -4.882 0.884 -3.963 15 HA SER 4 HA SER 4 -4.891 -1.560 -5.439 16 1HB SER 4 HB2 SER 4 -4.733 1.351 -6.463 17 2HB SER 4 HB1 SER 4 -5.304 -0.101 -7.375 18 HG SER 4 HG SER 4 -6.958 1.253 -6.530 19 H ASP 5 HN ASP 5 -2.549 0.922 -4.407 20 HA ASP 5 HA ASP 5 -0.787 0.391 -6.616 21 1HB ASP 5 HB2 ASP 5 -0.970 2.696 -5.705 22 2HB ASP 5 HB1 ASP 5 -0.376 2.120 -4.108 23 HA PRO 6 HA PRO 6 0.607 -3.090 -4.385 24 1HB PRO 6 HB2 PRO 6 3.374 -2.563 -5.648 25 2HB PRO 6 HB1 PRO 6 2.490 -4.138 -5.543 26 1HG PRO 6 HG1 PRO 6 2.432 -2.701 -7.872 27 2HG PRO 6 HG2 PRO 6 0.901 -3.437 -7.235 28 1HD PRO 6 HD1 PRO 6 1.790 -0.509 -7.042 29 2HD PRO 6 HD2 PRO 6 0.146 -1.237 -7.343 30 H ARG 7 HN ARG 7 2.590 -0.208 -4.100 31 HA ARG 7 HA ARG 7 4.246 -1.172 -1.992 32 1HB ARG 7 HB2 ARG 7 3.678 1.714 -2.898 33 2HB ARG 7 HB1 ARG 7 5.031 1.191 -1.841 34 1HG ARG 7 HG2 ARG 7 6.029 -0.134 -3.659 35 2HG ARG 7 HG1 ARG 7 4.669 0.237 -4.766 36 1HD ARG 7 HD2 ARG 7 6.587 2.354 -3.569 37 2HD ARG 7 HD1 ARG 7 6.700 1.647 -5.242 38 HE ARG 7 HE ARG 7 4.049 2.585 -4.991 39 1HH1 ARG 7 HH21 ARG 7 7.322 4.022 -4.836 40 2HH1 ARG 7 HH22 ARG 7 6.803 5.586 -5.365 41 1HH2 ARG 7 HH11 ARG 7 3.385 4.668 -5.757 42 2HH2 ARG 7 HH12 ARG 7 4.536 5.949 -5.926 43 H CYS 8 HN CYS 8 1.039 0.019 -2.210 44 HA CYS 8 HA CYS 8 0.994 0.806 0.631 45 1HB CYS 8 HB2 CYS 8 0.091 2.382 -1.194 46 2HB CYS 8 HB1 CYS 8 -1.153 1.147 -1.524 47 H ALA 9 HN ALA 9 -0.402 -1.295 -1.927 48 HA ALA 9 HA ALA 9 -2.367 -2.583 -0.732 49 1HB ALA 9 HB1 ALA 9 -1.664 -3.014 -3.080 50 2HB ALA 9 HB2 ALA 9 -1.867 -4.559 -2.187 51 3HB ALA 9 HB3 ALA 9 -0.213 -3.906 -2.483 52 H TRP 10 HN TRP 10 1.087 -3.525 -0.288 53 HA TRP 10 HA TRP 10 0.378 -5.819 1.208 54 1HB TRP 10 HB2 TRP 10 2.696 -6.160 1.721 55 2HB TRP 10 HB1 TRP 10 2.552 -5.673 0.004 56 HD1 TRP 10 HD1 TRP 10 2.921 -2.657 -0.132 57 HE1 TRP 10 HE1 TRP 10 4.740 -1.313 0.979 58 HE3 TRP 10 HE3 TRP 10 4.412 -6.162 3.260 59 HZ2 TRP 10 HZ2 TRP 10 6.823 -1.788 2.955 60 HZ3 TRP 10 HZ3 TRP 10 6.334 -5.669 4.734 61 HH2 TRP 10 HH2 TRP 10 7.519 -3.511 4.588 62 H ARG 11 HN ARG 11 0.583 -2.454 2.091 63 HA ARG 11 HA ARG 11 1.002 -3.037 4.910 64 1HB ARG 11 HB2 ARG 11 0.303 -0.397 3.473 65 2HB ARG 11 HB1 ARG 11 0.668 -0.562 5.220 66 1HG ARG 11 HG2 ARG 11 2.616 -1.173 2.903 67 2HG ARG 11 HG1 ARG 11 2.580 0.341 3.859 68 1HD ARG 11 HD2 ARG 11 3.241 -2.483 4.981 69 2HD ARG 11 HD1 ARG 11 4.410 -1.167 4.599 70 HE ARG 11 HE ARG 11 3.435 0.227 6.357 71 1HH1 ARG 11 HH21 ARG 11 2.379 -3.200 6.486 72 2HH1 ARG 11 HH22 ARG 11 1.986 -3.134 8.169 73 1HH2 ARG 11 HH11 ARG 11 2.955 0.250 8.618 74 2HH2 ARG 11 HH12 ARG 11 2.309 -1.157 9.387 75 H CYS 12 HN CYS 12 -1.508 -2.076 2.556 76 HA CYS 12 HA CYS 12 -3.597 -1.854 4.436 77 1HB CYS 12 HB2 CYS 12 -3.802 -2.781 1.509 78 2HB CYS 12 HB1 CYS 12 -5.164 -2.266 2.554 79 1HN NH2 13 H1 NH2 13 -3.310 -5.852 3.297 80 2HN NH2 13 H2 NH2 13 -2.528 -4.631 2.334 Start of MODEL 3 1 1H GLY 1 HT1 GLY 1 -8.250 5.705 -4.885 2 2H GLY 1 HT2 GLY 1 -6.617 5.683 -5.362 3 3H GLY 1 HT3 GLY 1 -7.036 6.183 -3.794 4 1HA GLY 1 HA2 GLY 1 -7.765 4.039 -3.214 5 2HA GLY 1 HA1 GLY 1 -7.435 3.495 -4.914 6 H CYS 2 HN CYS 2 -6.131 3.788 -1.743 7 HA CYS 2 HA CYS 2 -3.421 4.203 -2.513 8 1HB CYS 2 HB2 CYS 2 -4.463 4.713 -0.204 9 2HB CYS 2 HB1 CYS 2 -4.420 2.973 0.150 10 H CYS 3 HN CYS 3 -5.306 1.448 -1.251 11 HA CYS 3 HA CYS 3 -3.250 -0.402 -1.413 12 1HB CYS 3 HB2 CYS 3 -6.252 -1.041 -1.448 13 2HB CYS 3 HB1 CYS 3 -4.928 -2.081 -0.835 14 H SER 4 HN SER 4 -4.912 0.956 -3.996 15 HA SER 4 HA SER 4 -4.956 -1.282 -5.756 16 1HB SER 4 HB2 SER 4 -4.909 1.734 -6.410 17 2HB SER 4 HB1 SER 4 -5.551 0.394 -7.441 18 HG SER 4 HG SER 4 -7.201 1.480 -6.361 19 H ASP 5 HN ASP 5 -2.534 0.861 -4.412 20 HA ASP 5 HA ASP 5 -0.746 0.449 -6.667 21 1HB ASP 5 HB2 ASP 5 -0.854 2.738 -5.735 22 2HB ASP 5 HB1 ASP 5 -0.374 2.117 -4.112 23 HA PRO 6 HA PRO 6 0.390 -3.105 -4.343 24 1HB PRO 6 HB2 PRO 6 3.183 -2.764 -5.612 25 2HB PRO 6 HB1 PRO 6 2.198 -4.275 -5.488 26 1HG PRO 6 HG1 PRO 6 2.281 -2.848 -7.834 27 2HG PRO 6 HG2 PRO 6 0.703 -3.515 -7.232 28 1HD PRO 6 HD1 PRO 6 1.713 -0.625 -7.041 29 2HD PRO 6 HD2 PRO 6 0.041 -1.279 -7.366 30 H ARG 7 HN ARG 7 2.544 -0.302 -4.169 31 HA ARG 7 HA ARG 7 4.077 -1.411 -2.003 32 1HB ARG 7 HB2 ARG 7 4.161 1.398 -3.242 33 2HB ARG 7 HB1 ARG 7 5.212 0.807 -1.919 34 1HG ARG 7 HG2 ARG 7 6.590 0.548 -3.761 35 2HG ARG 7 HG1 ARG 7 5.972 -1.104 -3.452 36 1HD ARG 7 HD2 ARG 7 6.071 -0.649 -5.875 37 2HD ARG 7 HD1 ARG 7 4.329 -0.797 -5.409 38 HE ARG 7 HE ARG 7 5.046 1.954 -5.161 39 1HH1 ARG 7 HH11 ARG 7 4.785 -0.507 -7.755 40 2HH1 ARG 7 HH12 ARG 7 4.481 0.658 -9.001 41 1HH2 ARG 7 HH21 ARG 7 4.670 3.489 -6.862 42 2HH2 ARG 7 HH22 ARG 7 4.424 2.954 -8.491 43 H CYS 8 HN CYS 8 1.051 0.010 -2.273 44 HA CYS 8 HA CYS 8 1.127 0.904 0.532 45 1HB CYS 8 HB2 CYS 8 0.000 2.433 -1.168 46 2HB CYS 8 HB1 CYS 8 -1.144 1.101 -1.504 47 H ALA 9 HN ALA 9 -0.388 -1.310 -1.867 48 HA ALA 9 HA ALA 9 -2.266 -2.496 -0.460 49 1HB ALA 9 HB1 ALA 9 -2.062 -4.481 -1.922 50 2HB ALA 9 HB2 ALA 9 -0.382 -4.001 -2.362 51 3HB ALA 9 HB3 ALA 9 -1.779 -2.984 -2.870 52 H TRP 10 HN TRP 10 1.195 -3.427 -0.099 53 HA TRP 10 HA TRP 10 0.586 -5.765 1.370 54 1HB TRP 10 HB2 TRP 10 2.936 -5.858 2.059 55 2HB TRP 10 HB1 TRP 10 2.801 -5.514 0.307 56 HD1 TRP 10 HD1 TRP 10 3.326 -2.855 -0.415 57 HE1 TRP 10 HE1 TRP 10 4.540 -0.973 0.758 58 HE3 TRP 10 HE3 TRP 10 3.759 -4.984 4.186 59 HZ2 TRP 10 HZ2 TRP 10 6.032 -0.630 3.215 60 HZ3 TRP 10 HZ3 TRP 10 5.023 -3.793 5.947 61 HH2 TRP 10 HH2 TRP 10 6.150 -1.650 5.465 62 H ARG 11 HN ARG 11 0.592 -2.384 2.281 63 HA ARG 11 HA ARG 11 0.932 -2.943 5.103 64 1HB ARG 11 HB2 ARG 11 0.105 -0.342 3.659 65 2HB ARG 11 HB1 ARG 11 0.560 -0.502 5.389 66 1HG ARG 11 HG2 ARG 11 2.853 -1.245 4.723 67 2HG ARG 11 HG1 ARG 11 2.433 -1.048 2.991 68 1HD ARG 11 HD2 ARG 11 2.439 1.236 5.084 69 2HD ARG 11 HD1 ARG 11 3.746 0.893 3.865 70 HE ARG 11 HE ARG 11 1.172 1.118 2.545 71 1HH1 ARG 11 HH11 ARG 11 3.679 3.094 4.152 72 2HH1 ARG 11 HH12 ARG 11 3.322 4.530 3.252 73 1HH2 ARG 11 HH21 ARG 11 0.705 3.065 1.336 74 2HH2 ARG 11 HH22 ARG 11 1.620 4.507 1.618 75 H CYS 12 HN CYS 12 -1.506 -2.447 2.625 76 HA CYS 12 HA CYS 12 -3.693 -2.078 4.436 77 1HB CYS 12 HB2 CYS 12 -3.818 -3.108 1.540 78 2HB CYS 12 HB1 CYS 12 -5.175 -2.499 2.536 79 1HN NH2 13 H1 NH2 13 -2.409 -4.824 2.433 80 2HN NH2 13 H2 NH2 13 -3.159 -6.081 3.383 Start of MODEL 4 1 1H GLY 1 HT1 GLY 1 -5.287 4.850 -5.357 2 2H GLY 1 HT2 GLY 1 -6.873 5.340 -4.979 3 3H GLY 1 HT3 GLY 1 -6.467 3.684 -4.997 4 1HA GLY 1 HA2 GLY 1 -5.420 5.730 -3.166 5 2HA GLY 1 HA1 GLY 1 -6.634 4.441 -2.784 6 H CYS 2 HN CYS 2 -5.035 3.953 -1.041 7 HA CYS 2 HA CYS 2 -2.420 3.226 -1.495 8 1HB CYS 2 HB2 CYS 2 -3.510 3.745 0.745 9 2HB CYS 2 HB1 CYS 2 -4.377 2.209 0.694 10 H CYS 3 HN CYS 3 -5.301 1.227 -1.017 11 HA CYS 3 HA CYS 3 -3.924 -1.182 -1.275 12 1HB CYS 3 HB2 CYS 3 -6.935 -0.869 -1.629 13 2HB CYS 3 HB1 CYS 3 -6.040 -2.315 -1.070 14 H SER 4 HN SER 4 -4.617 0.941 -3.752 15 HA SER 4 HA SER 4 -5.161 -1.097 -5.753 16 1HB SER 4 HB2 SER 4 -4.901 1.957 -6.076 17 2HB SER 4 HB1 SER 4 -5.662 0.787 -7.227 18 HG SER 4 HG SER 4 -7.264 1.750 -6.062 19 H ASP 5 HN ASP 5 -2.453 0.230 -4.166 20 HA ASP 5 HA ASP 5 -0.830 0.186 -6.622 21 1HB ASP 5 HB2 ASP 5 -1.020 2.449 -5.862 22 2HB ASP 5 HB1 ASP 5 -0.751 1.985 -4.136 23 HA PRO 6 HA PRO 6 0.657 -3.234 -4.204 24 1HB PRO 6 HB2 PRO 6 3.229 -2.912 -5.877 25 2HB PRO 6 HB1 PRO 6 2.328 -4.436 -5.510 26 1HG PRO 6 HG1 PRO 6 2.039 -3.192 -7.945 27 2HG PRO 6 HG2 PRO 6 0.589 -3.864 -7.083 28 1HD PRO 6 HD1 PRO 6 1.503 -0.932 -7.233 29 2HD PRO 6 HD2 PRO 6 -0.169 -1.640 -7.312 30 H ARG 7 HN ARG 7 2.566 -0.330 -4.553 31 HA ARG 7 HA ARG 7 4.533 -0.999 -2.589 32 1HB ARG 7 HB2 ARG 7 3.850 1.516 -4.192 33 2HB ARG 7 HB1 ARG 7 4.948 1.627 -2.793 34 1HG ARG 7 HG2 ARG 7 6.229 1.471 -4.839 35 2HG ARG 7 HG1 ARG 7 6.542 0.100 -3.733 36 1HD ARG 7 HD2 ARG 7 6.540 -0.675 -6.057 37 2HD ARG 7 HD1 ARG 7 5.119 -1.407 -5.205 38 HE ARG 7 HE ARG 7 4.151 0.985 -6.363 39 1HH1 ARG 7 HH21 ARG 7 5.797 -1.957 -7.590 40 2HH1 ARG 7 HH22 ARG 7 5.106 -1.837 -9.169 41 1HH2 ARG 7 HH11 ARG 7 3.221 1.097 -8.503 42 2HH2 ARG 7 HH12 ARG 7 3.626 -0.100 -9.687 43 H CYS 8 HN CYS 8 1.272 -0.081 -2.382 44 HA CYS 8 HA CYS 8 1.746 0.916 0.362 45 1HB CYS 8 HB2 CYS 8 0.999 2.717 -1.248 46 2HB CYS 8 HB1 CYS 8 -0.504 1.817 -1.518 47 H ALA 9 HN ALA 9 -0.285 -0.985 -1.933 48 HA ALA 9 HA ALA 9 -2.199 -1.818 -0.300 49 1HB ALA 9 HB1 ALA 9 -2.555 -3.734 -1.842 50 2HB ALA 9 HB2 ALA 9 -0.875 -3.545 -2.474 51 3HB ALA 9 HB3 ALA 9 -2.109 -2.268 -2.775 52 H TRP 10 HN TRP 10 1.088 -2.969 0.019 53 HA TRP 10 HA TRP 10 0.448 -5.408 1.321 54 1HB TRP 10 HB2 TRP 10 2.782 -5.360 2.197 55 2HB TRP 10 HB1 TRP 10 2.699 -5.091 0.431 56 HD1 TRP 10 HD1 TRP 10 2.951 -2.324 -0.335 57 HE1 TRP 10 HE1 TRP 10 4.339 -0.490 0.666 58 HE3 TRP 10 HE3 TRP 10 3.683 -4.474 4.211 59 HZ2 TRP 10 HZ2 TRP 10 5.822 -0.073 3.158 60 HZ3 TRP 10 HZ3 TRP 10 5.045 -3.282 5.907 61 HH2 TRP 10 HH2 TRP 10 6.115 -1.123 5.376 62 H ARG 11 HN ARG 11 0.294 -2.037 2.291 63 HA ARG 11 HA ARG 11 0.395 -2.602 5.107 64 1HB ARG 11 HB2 ARG 11 -0.540 -0.072 3.616 65 2HB ARG 11 HB1 ARG 11 -0.125 -0.192 5.363 66 1HG ARG 11 HG2 ARG 11 2.264 -0.649 4.767 67 2HG ARG 11 HG1 ARG 11 1.841 -0.680 3.022 68 1HD ARG 11 HD2 ARG 11 1.096 1.718 3.142 69 2HD ARG 11 HD1 ARG 11 1.688 1.800 4.859 70 HE ARG 11 HE ARG 11 3.925 0.870 3.738 71 1HH1 ARG 11 HH21 ARG 11 1.749 3.340 2.327 72 2HH1 ARG 11 HH22 ARG 11 3.003 4.078 1.388 73 1HH2 ARG 11 HH11 ARG 11 5.571 1.893 2.489 74 2HH2 ARG 11 HH12 ARG 11 5.210 3.264 1.502 75 H CYS 12 HN CYS 12 -1.879 -2.649 2.495 76 HA CYS 12 HA CYS 12 -4.212 -2.447 4.232 77 1HB CYS 12 HB2 CYS 12 -4.129 -3.319 1.281 78 2HB CYS 12 HB1 CYS 12 -5.576 -2.980 2.274 79 1HN NH2 13 H1 NH2 13 -3.006 -6.242 2.983 80 2HN NH2 13 H2 NH2 13 -2.520 -4.837 2.073 Start of MODEL 5 1 1H GLY 1 HT1 GLY 1 -5.851 7.231 -4.441 2 2H GLY 1 HT2 GLY 1 -4.455 6.399 -4.947 3 3H GLY 1 HT3 GLY 1 -4.480 7.172 -3.437 4 1HA GLY 1 HA2 GLY 1 -6.147 5.692 -2.654 5 2HA GLY 1 HA1 GLY 1 -6.096 4.860 -4.268 6 H CYS 2 HN CYS 2 -5.380 3.998 -1.346 7 HA CYS 2 HA CYS 2 -2.525 3.573 -1.554 8 1HB CYS 2 HB2 CYS 2 -3.573 4.032 0.663 9 2HB CYS 2 HB1 CYS 2 -4.576 2.580 0.532 10 H CYS 3 HN CYS 3 -5.284 1.380 -0.940 11 HA CYS 3 HA CYS 3 -3.738 -0.838 -1.176 12 1HB CYS 3 HB2 CYS 3 -6.786 -0.805 -1.489 13 2HB CYS 3 HB1 CYS 3 -5.777 -2.176 -0.929 14 H SER 4 HN SER 4 -4.975 0.894 -3.830 15 HA SER 4 HA SER 4 -5.227 -1.281 -5.627 16 1HB SER 4 HB2 SER 4 -4.605 1.662 -6.303 17 2HB SER 4 HB1 SER 4 -5.462 0.440 -7.320 18 HG SER 4 HG SER 4 -6.929 1.821 -6.339 19 H ASP 5 HN ASP 5 -2.511 0.711 -4.344 20 HA ASP 5 HA ASP 5 -0.928 0.041 -6.706 21 1HB ASP 5 HB2 ASP 5 -0.993 2.407 -6.060 22 2HB ASP 5 HB1 ASP 5 -0.318 2.005 -4.436 23 HA PRO 6 HA PRO 6 0.584 -3.211 -4.145 24 1HB PRO 6 HB2 PRO 6 3.161 -2.976 -5.821 25 2HB PRO 6 HB1 PRO 6 2.267 -4.484 -5.365 26 1HG PRO 6 HG1 PRO 6 1.949 -3.388 -7.859 27 2HG PRO 6 HG2 PRO 6 0.497 -3.985 -6.948 28 1HD PRO 6 HD1 PRO 6 1.438 -1.086 -7.287 29 2HD PRO 6 HD2 PRO 6 -0.242 -1.791 -7.277 30 H ARG 7 HN ARG 7 2.539 -0.312 -4.464 31 HA ARG 7 HA ARG 7 4.449 -1.104 -2.464 32 1HB ARG 7 HB2 ARG 7 3.951 1.664 -3.705 33 2HB ARG 7 HB1 ARG 7 5.386 1.168 -2.748 34 1HG ARG 7 HG2 ARG 7 5.999 -0.509 -4.487 35 2HG ARG 7 HG1 ARG 7 4.593 -0.023 -5.493 36 1HD ARG 7 HD2 ARG 7 6.906 1.858 -4.649 37 2HD ARG 7 HD1 ARG 7 6.746 1.040 -6.265 38 HE ARG 7 HE ARG 7 4.305 2.375 -5.901 39 1HH1 ARG 7 HH11 ARG 7 7.747 3.356 -5.948 40 2HH1 ARG 7 HH12 ARG 7 7.426 4.925 -6.609 41 1HH2 ARG 7 HH21 ARG 7 3.903 4.485 -6.788 42 2HH2 ARG 7 HH22 ARG 7 5.212 5.575 -7.091 43 H CYS 8 HN CYS 8 1.271 -0.098 -2.362 44 HA CYS 8 HA CYS 8 1.627 0.969 0.368 45 1HB CYS 8 HB2 CYS 8 0.796 2.646 -1.396 46 2HB CYS 8 HB1 CYS 8 -0.677 1.661 -1.536 47 H ALA 9 HN ALA 9 -0.224 -1.072 -1.960 48 HA ALA 9 HA ALA 9 -2.164 -1.983 -0.379 49 1HB ALA 9 HB1 ALA 9 -2.351 -3.940 -1.884 50 2HB ALA 9 HB2 ALA 9 -0.660 -3.684 -2.450 51 3HB ALA 9 HB3 ALA 9 -1.944 -2.478 -2.843 52 H TRP 10 HN TRP 10 1.181 -2.956 0.025 53 HA TRP 10 HA TRP 10 0.649 -5.418 1.332 54 1HB TRP 10 HB2 TRP 10 2.943 -5.238 2.286 55 2HB TRP 10 HB1 TRP 10 2.918 -4.959 0.514 56 HD1 TRP 10 HD1 TRP 10 3.138 -2.281 -0.270 57 HE1 TRP 10 HE1 TRP 10 4.240 -0.286 0.811 58 HE3 TRP 10 HE3 TRP 10 3.615 -4.247 4.394 59 HZ2 TRP 10 HZ2 TRP 10 5.431 0.311 3.408 60 HZ3 TRP 10 HZ3 TRP 10 4.707 -2.909 6.164 61 HH2 TRP 10 HH2 TRP 10 5.603 -0.660 5.678 62 H ARG 11 HN ARG 11 0.307 -2.057 2.296 63 HA ARG 11 HA ARG 11 0.439 -2.587 5.109 64 1HB ARG 11 HB2 ARG 11 -0.704 -0.175 3.559 65 2HB ARG 11 HB1 ARG 11 -0.361 -0.217 5.323 66 1HG ARG 11 HG2 ARG 11 2.063 -0.404 4.882 67 2HG ARG 11 HG1 ARG 11 1.770 -0.556 3.112 68 1HD ARG 11 HD2 ARG 11 0.830 1.727 2.990 69 2HD ARG 11 HD1 ARG 11 1.065 1.955 4.779 70 HE ARG 11 HE ARG 11 3.587 1.236 3.982 71 1HH1 ARG 11 HH21 ARG 11 1.320 3.679 2.661 72 2HH1 ARG 11 HH22 ARG 11 2.578 4.758 2.163 73 1HH2 ARG 11 HH11 ARG 11 5.247 2.699 3.287 74 2HH2 ARG 11 HH12 ARG 11 4.835 4.178 2.488 75 H CYS 12 HN CYS 12 -1.844 -2.795 2.510 76 HA CYS 12 HA CYS 12 -4.181 -2.629 4.249 77 1HB CYS 12 HB2 CYS 12 -4.096 -3.319 1.254 78 2HB CYS 12 HB1 CYS 12 -5.541 -2.965 2.248 79 1HN NH2 13 H1 NH2 13 -3.092 -6.374 2.766 80 2HN NH2 13 H2 NH2 13 -2.522 -4.934 1.962 Start of MODEL 6 1 1H GLY 1 HT1 GLY 1 -9.470 3.190 -4.039 2 2H GLY 1 HT2 GLY 1 -8.596 1.952 -3.274 3 3H GLY 1 HT3 GLY 1 -8.069 2.564 -4.769 4 1HA GLY 1 HA2 GLY 1 -7.781 4.742 -3.716 5 2HA GLY 1 HA1 GLY 1 -8.073 3.885 -2.147 6 H CYS 2 HN CYS 2 -6.085 4.015 -1.194 7 HA CYS 2 HA CYS 2 -3.648 4.152 -2.352 8 1HB CYS 2 HB2 CYS 2 -4.399 4.482 0.130 9 2HB CYS 2 HB1 CYS 2 -4.137 2.745 0.362 10 H CYS 3 HN CYS 3 -5.317 1.313 -1.151 11 HA CYS 3 HA CYS 3 -3.353 -0.578 -1.442 12 1HB CYS 3 HB2 CYS 3 -6.352 -1.154 -1.711 13 2HB CYS 3 HB1 CYS 3 -5.085 -2.226 -1.038 14 H SER 4 HN SER 4 -4.807 1.021 -4.038 15 HA SER 4 HA SER 4 -4.898 -1.189 -5.868 16 1HB SER 4 HB2 SER 4 -4.566 1.784 -6.616 17 2HB SER 4 HB1 SER 4 -5.347 0.462 -7.574 18 HG SER 4 HG SER 4 -6.207 1.910 -5.308 19 H ASP 5 HN ASP 5 -2.492 0.947 -4.435 20 HA ASP 5 HA ASP 5 -0.625 0.491 -6.605 21 1HB ASP 5 HB2 ASP 5 -0.796 2.741 -5.717 22 2HB ASP 5 HB1 ASP 5 -0.376 2.169 -4.058 23 HA PRO 6 HA PRO 6 0.378 -3.097 -4.256 24 1HB PRO 6 HB2 PRO 6 3.118 -2.910 -5.669 25 2HB PRO 6 HB1 PRO 6 2.077 -4.376 -5.453 26 1HG PRO 6 HG1 PRO 6 2.061 -3.026 -7.837 27 2HG PRO 6 HG2 PRO 6 0.493 -3.584 -7.109 28 1HD PRO 6 HD1 PRO 6 1.654 -0.740 -7.081 29 2HD PRO 6 HD2 PRO 6 -0.059 -1.328 -7.271 30 H ARG 7 HN ARG 7 2.538 -0.368 -4.208 31 HA ARG 7 HA ARG 7 4.192 -1.289 -2.068 32 1HB ARG 7 HB2 ARG 7 3.738 1.544 -3.204 33 2HB ARG 7 HB1 ARG 7 5.009 1.119 -2.031 34 1HG ARG 7 HG2 ARG 7 4.786 0.164 -4.961 35 2HG ARG 7 HG1 ARG 7 5.952 1.323 -4.255 36 1HD ARG 7 HD2 ARG 7 5.830 -1.735 -3.829 37 2HD ARG 7 HD1 ARG 7 7.164 -0.736 -4.535 38 HE ARG 7 HE ARG 7 6.296 -0.291 -1.676 39 1HH1 ARG 7 HH11 ARG 7 8.813 -1.547 -3.910 40 2HH1 ARG 7 HH12 ARG 7 9.982 -1.770 -2.653 41 1HH2 ARG 7 HH21 ARG 7 7.907 -0.546 -0.043 42 2HH2 ARG 7 HH22 ARG 7 9.473 -1.174 -0.433 43 H CYS 8 HN CYS 8 1.014 -0.102 -2.246 44 HA CYS 8 HA CYS 8 1.131 0.723 0.590 45 1HB CYS 8 HB2 CYS 8 0.141 2.349 -1.136 46 2HB CYS 8 HB1 CYS 8 -1.170 1.157 -1.378 47 H ALA 9 HN ALA 9 -0.386 -1.373 -1.901 48 HA ALA 9 HA ALA 9 -2.320 -2.600 -0.587 49 1HB ALA 9 HB1 ALA 9 -2.048 -4.560 -2.035 50 2HB ALA 9 HB2 ALA 9 -0.334 -4.121 -2.369 51 3HB ALA 9 HB3 ALA 9 -1.677 -3.078 -2.977 52 H TRP 10 HN TRP 10 1.133 -3.566 -0.217 53 HA TRP 10 HA TRP 10 0.549 -5.785 1.409 54 1HB TRP 10 HB2 TRP 10 2.898 -5.884 2.044 55 2HB TRP 10 HB1 TRP 10 2.733 -5.631 0.277 56 HD1 TRP 10 HD1 TRP 10 2.708 -2.531 -0.074 57 HE1 TRP 10 HE1 TRP 10 4.520 -1.008 0.719 58 HE3 TRP 10 HE3 TRP 10 4.880 -5.720 3.270 59 HZ2 TRP 10 HZ2 TRP 10 6.899 -1.224 2.394 60 HZ3 TRP 10 HZ3 TRP 10 6.955 -5.018 4.413 61 HH2 TRP 10 HH2 TRP 10 7.955 -2.806 3.978 62 H ARG 11 HN ARG 11 0.546 -2.357 2.179 63 HA ARG 11 HA ARG 11 0.899 -2.878 5.030 64 1HB ARG 11 HB2 ARG 11 0.340 -0.220 3.572 65 2HB ARG 11 HB1 ARG 11 0.727 -0.451 5.317 66 1HG ARG 11 HG2 ARG 11 2.955 -1.528 4.535 67 2HG ARG 11 HG1 ARG 11 2.598 -0.884 2.900 68 1HD ARG 11 HD2 ARG 11 2.877 0.779 5.509 69 2HD ARG 11 HD1 ARG 11 4.119 0.634 4.212 70 HE ARG 11 HE ARG 11 1.451 2.053 4.051 71 1HH1 ARG 11 HH11 ARG 11 4.608 1.311 2.538 72 2HH1 ARG 11 HH12 ARG 11 4.452 2.522 1.313 73 1HH2 ARG 11 HH21 ARG 11 1.245 3.639 2.359 74 2HH2 ARG 11 HH22 ARG 11 2.538 3.885 1.239 75 H CYS 12 HN CYS 12 -1.509 -2.102 2.524 76 HA CYS 12 HA CYS 12 -3.703 -1.826 4.290 77 1HB CYS 12 HB2 CYS 12 -3.734 -3.038 1.457 78 2HB CYS 12 HB1 CYS 12 -5.164 -2.560 2.419 79 1HN NH2 13 H1 NH2 13 -3.020 -5.881 3.637 80 2HN NH2 13 H2 NH2 13 -2.325 -4.706 2.549 Start of MODEL 7 1 1H GLY 1 HT1 GLY 1 -9.266 3.888 -3.942 2 2H GLY 1 HT2 GLY 1 -8.510 3.015 -2.700 3 3H GLY 1 HT3 GLY 1 -8.210 2.610 -4.325 4 1HA GLY 1 HA2 GLY 1 -7.220 4.742 -4.696 5 2HA GLY 1 HA1 GLY 1 -7.429 5.077 -2.926 6 H CYS 2 HN CYS 2 -5.725 4.631 -1.718 7 HA CYS 2 HA CYS 2 -3.288 4.155 -2.445 8 1HB CYS 2 HB2 CYS 2 -4.346 4.714 -0.115 9 2HB CYS 2 HB1 CYS 2 -4.297 2.979 0.230 10 H CYS 3 HN CYS 3 -5.404 1.547 -1.271 11 HA CYS 3 HA CYS 3 -3.417 -0.421 -1.302 12 1HB CYS 3 HB2 CYS 3 -6.443 -0.916 -1.410 13 2HB CYS 3 HB1 CYS 3 -5.181 -2.028 -0.787 14 H SER 4 HN SER 4 -4.860 0.969 -3.998 15 HA SER 4 HA SER 4 -4.981 -1.416 -5.621 16 1HB SER 4 HB2 SER 4 -4.782 1.453 -6.698 17 2HB SER 4 HB1 SER 4 -5.589 0.017 -7.431 18 HG SER 4 HG SER 4 -6.317 1.683 -5.265 19 H ASP 5 HN ASP 5 -2.534 0.785 -4.361 20 HA ASP 5 HA ASP 5 -0.790 0.337 -6.642 21 1HB ASP 5 HB2 ASP 5 -0.968 2.641 -5.666 22 2HB ASP 5 HB1 ASP 5 -0.295 2.025 -4.118 23 HA PRO 6 HA PRO 6 0.566 -3.171 -4.381 24 1HB PRO 6 HB2 PRO 6 3.346 -2.644 -5.619 25 2HB PRO 6 HB1 PRO 6 2.447 -4.209 -5.545 26 1HG PRO 6 HG1 PRO 6 2.469 -2.714 -7.856 27 2HG PRO 6 HG2 PRO 6 0.933 -3.497 -7.287 28 1HD PRO 6 HD1 PRO 6 1.739 -0.551 -7.032 29 2HD PRO 6 HD2 PRO 6 0.119 -1.321 -7.362 30 H ARG 7 HN ARG 7 2.534 -0.256 -4.135 31 HA ARG 7 HA ARG 7 4.095 -1.307 -1.943 32 1HB ARG 7 HB2 ARG 7 4.132 1.476 -3.227 33 2HB ARG 7 HB1 ARG 7 5.359 0.823 -2.089 34 1HG ARG 7 HG2 ARG 7 4.784 -0.363 -4.897 35 2HG ARG 7 HG1 ARG 7 5.985 0.914 -4.556 36 1HD ARG 7 HD2 ARG 7 7.129 -1.240 -4.750 37 2HD ARG 7 HD1 ARG 7 7.267 -0.631 -3.052 38 HE ARG 7 HE ARG 7 5.416 -2.206 -2.432 39 1HH1 ARG 7 HH11 ARG 7 7.277 -2.969 -5.389 40 2HH1 ARG 7 HH12 ARG 7 6.811 -4.637 -5.394 41 1HH2 ARG 7 HH21 ARG 7 4.753 -4.405 -2.500 42 2HH2 ARG 7 HH22 ARG 7 5.383 -5.468 -3.708 43 H CYS 8 HN CYS 8 1.056 -0.165 -2.173 44 HA CYS 8 HA CYS 8 1.179 0.737 0.635 45 1HB CYS 8 HB2 CYS 8 0.266 2.491 -0.922 46 2HB CYS 8 HB1 CYS 8 -0.960 1.312 -1.473 47 H ALA 9 HN ALA 9 -0.326 -1.340 -1.902 48 HA ALA 9 HA ALA 9 -2.297 -2.498 -0.538 49 1HB ALA 9 HB1 ALA 9 -1.801 -2.917 -2.950 50 2HB ALA 9 HB2 ALA 9 -2.099 -4.443 -2.053 51 3HB ALA 9 HB3 ALA 9 -0.410 -3.965 -2.469 52 H TRP 10 HN TRP 10 1.163 -3.422 -0.225 53 HA TRP 10 HA TRP 10 0.655 -5.732 1.302 54 1HB TRP 10 HB2 TRP 10 3.009 -5.741 1.948 55 2HB TRP 10 HB1 TRP 10 2.857 -5.363 0.204 56 HD1 TRP 10 HD1 TRP 10 3.026 -2.516 -0.306 57 HE1 TRP 10 HE1 TRP 10 4.351 -0.700 0.858 58 HE3 TRP 10 HE3 TRP 10 4.232 -5.125 3.889 59 HZ2 TRP 10 HZ2 TRP 10 5.985 -0.481 3.246 60 HZ3 TRP 10 HZ3 TRP 10 5.660 -4.056 5.603 61 HH2 TRP 10 HH2 TRP 10 6.524 -1.766 5.283 62 H ARG 11 HN ARG 11 0.486 -2.344 2.174 63 HA ARG 11 HA ARG 11 0.925 -2.845 4.999 64 1HB ARG 11 HB2 ARG 11 -0.189 -0.294 3.682 65 2HB ARG 11 HB1 ARG 11 0.525 -0.471 5.321 66 1HG ARG 11 HG2 ARG 11 2.745 -1.066 4.161 67 2HG ARG 11 HG1 ARG 11 1.976 -0.628 2.598 68 1HD ARG 11 HD2 ARG 11 2.407 1.221 5.040 69 2HD ARG 11 HD1 ARG 11 3.292 1.297 3.453 70 HE ARG 11 HE ARG 11 0.525 1.514 2.847 71 1HH1 ARG 11 HH21 ARG 11 2.962 3.355 4.720 72 2HH1 ARG 11 HH22 ARG 11 2.087 4.846 4.645 73 1HH2 ARG 11 HH11 ARG 11 -0.629 3.536 2.760 74 2HH2 ARG 11 HH12 ARG 11 0.016 4.949 3.530 75 H CYS 12 HN CYS 12 -1.599 -2.202 2.575 76 HA CYS 12 HA CYS 12 -3.748 -2.059 4.398 77 1HB CYS 12 HB2 CYS 12 -3.901 -3.034 1.489 78 2HB CYS 12 HB1 CYS 12 -5.259 -2.483 2.524 79 1HN NH2 13 H1 NH2 13 -3.111 -6.037 3.393 80 2HN NH2 13 H2 NH2 13 -2.377 -4.788 2.426 Start of MODEL 8 1 1H GLY 1 HT1 GLY 1 -8.979 5.017 -3.736 2 2H GLY 1 HT2 GLY 1 -7.417 5.613 -4.011 3 3H GLY 1 HT3 GLY 1 -7.894 5.175 -2.437 4 1HA GLY 1 HA2 GLY 1 -8.014 2.915 -3.011 5 2HA GLY 1 HA1 GLY 1 -7.724 3.359 -4.743 6 H CYS 2 HN CYS 2 -6.168 3.675 -1.471 7 HA CYS 2 HA CYS 2 -3.608 4.148 -2.548 8 1HB CYS 2 HB2 CYS 2 -4.459 4.642 -0.154 9 2HB CYS 2 HB1 CYS 2 -4.261 2.916 0.223 10 H CYS 3 HN CYS 3 -5.295 1.368 -1.204 11 HA CYS 3 HA CYS 3 -3.243 -0.468 -1.316 12 1HB CYS 3 HB2 CYS 3 -6.218 -1.174 -1.524 13 2HB CYS 3 HB1 CYS 3 -4.915 -2.162 -0.792 14 H SER 4 HN SER 4 -4.885 0.837 -3.994 15 HA SER 4 HA SER 4 -4.732 -1.480 -5.675 16 1HB SER 4 HB2 SER 4 -4.975 1.502 -6.418 17 2HB SER 4 HB1 SER 4 -5.359 0.079 -7.470 18 HG SER 4 HG SER 4 -7.207 0.975 -6.506 19 H ASP 5 HN ASP 5 -2.517 0.926 -4.383 20 HA ASP 5 HA ASP 5 -0.677 0.601 -6.602 21 1HB ASP 5 HB2 ASP 5 -0.930 2.877 -5.601 22 2HB ASP 5 HB1 ASP 5 -0.475 2.222 -3.990 23 HA PRO 6 HA PRO 6 0.385 -2.986 -4.437 24 1HB PRO 6 HB2 PRO 6 3.001 -3.599 -5.402 25 2HB PRO 6 HB1 PRO 6 1.470 -3.833 -6.329 26 1HG PRO 6 HG1 PRO 6 3.391 -1.445 -6.422 27 2HG PRO 6 HG2 PRO 6 2.645 -2.336 -7.812 28 1HD PRO 6 HD1 PRO 6 1.572 0.032 -6.917 29 2HD PRO 6 HD2 PRO 6 0.457 -1.344 -7.362 30 H ARG 7 HN ARG 7 2.572 -0.288 -4.119 31 HA ARG 7 HA ARG 7 4.187 -1.399 -2.065 32 1HB ARG 7 HB2 ARG 7 3.712 1.579 -2.643 33 2HB ARG 7 HB1 ARG 7 5.133 0.844 -1.827 34 1HG ARG 7 HG2 ARG 7 5.738 -0.298 -4.015 35 2HG ARG 7 HG1 ARG 7 4.368 0.546 -4.811 36 1HD ARG 7 HD2 ARG 7 6.822 1.881 -3.479 37 2HD ARG 7 HD1 ARG 7 6.467 1.795 -5.258 38 HE ARG 7 HE ARG 7 4.191 2.977 -4.031 39 1HH1 ARG 7 HH11 ARG 7 7.658 3.790 -4.399 40 2HH1 ARG 7 HH12 ARG 7 7.418 5.485 -4.140 41 1HH2 ARG 7 HH21 ARG 7 3.913 5.234 -3.589 42 2HH2 ARG 7 HH22 ARG 7 5.260 6.317 -3.672 43 H CYS 8 HN CYS 8 1.060 0.097 -2.215 44 HA CYS 8 HA CYS 8 1.091 0.728 0.662 45 1HB CYS 8 HB2 CYS 8 0.267 2.450 -1.012 46 2HB CYS 8 HB1 CYS 8 -1.024 1.306 -1.467 47 H ALA 9 HN ALA 9 -0.346 -1.300 -1.922 48 HA ALA 9 HA ALA 9 -2.352 -2.525 -0.718 49 1HB ALA 9 HB1 ALA 9 -0.240 -3.986 -2.412 50 2HB ALA 9 HB2 ALA 9 -1.622 -3.027 -3.060 51 3HB ALA 9 HB3 ALA 9 -1.936 -4.529 -2.124 52 H TRP 10 HN TRP 10 1.073 -3.561 -0.236 53 HA TRP 10 HA TRP 10 0.268 -5.789 1.307 54 1HB TRP 10 HB2 TRP 10 2.575 -6.180 1.864 55 2HB TRP 10 HB1 TRP 10 2.462 -5.715 0.133 56 HD1 TRP 10 HD1 TRP 10 3.598 -3.303 -0.533 57 HE1 TRP 10 HE1 TRP 10 4.877 -1.556 0.777 58 HE3 TRP 10 HE3 TRP 10 3.189 -5.352 4.110 59 HZ2 TRP 10 HZ2 TRP 10 6.037 -1.302 3.412 60 HZ3 TRP 10 HZ3 TRP 10 4.346 -4.283 6.006 61 HH2 TRP 10 HH2 TRP 10 5.754 -2.283 5.665 62 H ARG 11 HN ARG 11 0.740 -2.403 2.084 63 HA ARG 11 HA ARG 11 1.086 -2.759 4.897 64 1HB ARG 11 HB2 ARG 11 0.081 -0.217 3.481 65 2HB ARG 11 HB1 ARG 11 0.855 -0.348 5.094 66 1HG ARG 11 HG2 ARG 11 3.028 -0.951 3.946 67 2HG ARG 11 HG1 ARG 11 2.198 -0.814 2.352 68 1HD ARG 11 HD2 ARG 11 1.563 1.609 3.022 69 2HD ARG 11 HD1 ARG 11 2.720 1.429 4.415 70 HE ARG 11 HE ARG 11 3.848 0.719 1.764 71 1HH1 ARG 11 HH11 ARG 11 3.070 3.457 3.922 72 2HH1 ARG 11 HH12 ARG 11 4.179 4.552 3.170 73 1HH2 ARG 11 HH21 ARG 11 5.384 2.167 0.808 74 2HH2 ARG 11 HH22 ARG 11 5.558 3.790 1.393 75 H CYS 12 HN CYS 12 -1.526 -2.105 2.565 76 HA CYS 12 HA CYS 12 -3.613 -1.862 4.478 77 1HB CYS 12 HB2 CYS 12 -3.849 -2.961 1.616 78 2HB CYS 12 HB1 CYS 12 -5.189 -2.406 2.669 79 1HN NH2 13 H1 NH2 13 -2.886 -5.868 3.659 80 2HN NH2 13 H2 NH2 13 -2.303 -4.650 2.557 Start of MODEL 9 1 1H GLY 1 HT1 GLY 1 -8.441 4.060 -3.645 2 2H GLY 1 HT2 GLY 1 -7.682 2.620 -3.159 3 3H GLY 1 HT3 GLY 1 -7.038 3.520 -4.443 4 1HA GLY 1 HA2 GLY 1 -6.591 5.341 -2.958 5 2HA GLY 1 HA1 GLY 1 -7.166 4.278 -1.608 6 H CYS 2 HN CYS 2 -5.499 3.462 -0.495 7 HA CYS 2 HA CYS 2 -2.852 3.399 -1.334 8 1HB CYS 2 HB2 CYS 2 -3.664 3.324 1.057 9 2HB CYS 2 HB1 CYS 2 -4.356 1.726 0.802 10 H CYS 3 HN CYS 3 -5.276 0.895 -0.991 11 HA CYS 3 HA CYS 3 -3.630 -1.238 -1.470 12 1HB CYS 3 HB2 CYS 3 -6.617 -1.398 -2.100 13 2HB CYS 3 HB1 CYS 3 -5.550 -2.681 -1.460 14 H SER 4 HN SER 4 -5.151 0.818 -3.840 15 HA SER 4 HA SER 4 -5.099 -0.929 -6.018 16 1HB SER 4 HB2 SER 4 -4.834 2.145 -5.968 17 2HB SER 4 HB1 SER 4 -5.527 1.136 -7.298 18 HG SER 4 HG SER 4 -7.262 0.727 -6.042 19 H ASP 5 HN ASP 5 -2.534 0.837 -4.287 20 HA ASP 5 HA ASP 5 -0.811 0.639 -6.649 21 1HB ASP 5 HB2 ASP 5 -0.956 2.877 -5.722 22 2HB ASP 5 HB1 ASP 5 -0.451 2.293 -4.092 23 HA PRO 6 HA PRO 6 0.174 -2.952 -4.333 24 1HB PRO 6 HB2 PRO 6 2.411 -3.967 -5.734 25 2HB PRO 6 HB1 PRO 6 0.708 -4.061 -6.313 26 1HG PRO 6 HG1 PRO 6 2.832 -1.998 -7.055 27 2HG PRO 6 HG2 PRO 6 1.680 -2.864 -8.148 28 1HD PRO 6 HD1 PRO 6 1.179 -0.280 -7.253 29 2HD PRO 6 HD2 PRO 6 -0.182 -1.483 -7.410 30 H ARG 7 HN ARG 7 2.573 -0.407 -4.646 31 HA ARG 7 HA ARG 7 4.383 -1.628 -2.767 32 1HB ARG 7 HB2 ARG 7 4.371 1.258 -3.842 33 2HB ARG 7 HB1 ARG 7 5.652 0.467 -2.865 34 1HG ARG 7 HG2 ARG 7 6.598 0.229 -4.931 35 2HG ARG 7 HG1 ARG 7 5.719 -1.326 -4.801 36 1HD ARG 7 HD2 ARG 7 5.469 -0.420 -7.064 37 2HD ARG 7 HD1 ARG 7 3.849 -0.312 -6.252 38 HE ARG 7 HE ARG 7 5.094 2.157 -5.734 39 1HH1 ARG 7 HH21 ARG 7 4.189 0.295 -8.654 40 2HH1 ARG 7 HH22 ARG 7 3.950 1.701 -9.637 41 1HH2 ARG 7 HH11 ARG 7 4.824 4.034 -7.102 42 2HH2 ARG 7 HH12 ARG 7 4.341 3.841 -8.752 43 H CYS 8 HN CYS 8 1.426 -0.022 -2.577 44 HA CYS 8 HA CYS 8 1.936 0.964 0.153 45 1HB CYS 8 HB2 CYS 8 0.870 2.513 -1.602 46 2HB CYS 8 HB1 CYS 8 -0.517 1.400 -1.645 47 H ALA 9 HN ALA 9 -0.003 -1.190 -1.943 48 HA ALA 9 HA ALA 9 -1.929 -2.014 -0.412 49 1HB ALA 9 HB1 ALA 9 -2.035 -4.125 -1.733 50 2HB ALA 9 HB2 ALA 9 -0.320 -3.885 -2.241 51 3HB ALA 9 HB3 ALA 9 -1.604 -2.733 -2.781 52 H TRP 10 HN TRP 10 1.329 -3.006 0.403 53 HA TRP 10 HA TRP 10 0.609 -5.378 1.809 54 1HB TRP 10 HB2 TRP 10 2.802 -5.172 2.976 55 2HB TRP 10 HB1 TRP 10 2.963 -5.045 1.197 56 HD1 TRP 10 HD1 TRP 10 3.345 -2.404 0.235 57 HE1 TRP 10 HE1 TRP 10 4.480 -0.422 1.279 58 HE3 TRP 10 HE3 TRP 10 3.322 -4.085 5.050 59 HZ2 TRP 10 HZ2 TRP 10 5.329 0.369 3.961 60 HZ3 TRP 10 HZ3 TRP 10 4.288 -2.662 6.825 61 HH2 TRP 10 HH2 TRP 10 5.283 -0.470 6.287 62 H ARG 11 HN ARG 11 0.348 -1.951 2.494 63 HA ARG 11 HA ARG 11 0.148 -2.215 5.328 64 1HB ARG 11 HB2 ARG 11 -0.851 0.020 3.456 65 2HB ARG 11 HB1 ARG 11 -0.691 0.141 5.247 66 1HG ARG 11 HG2 ARG 11 1.777 -0.114 5.062 67 2HG ARG 11 HG1 ARG 11 1.642 -0.365 3.286 68 1HD ARG 11 HD2 ARG 11 0.684 1.948 3.020 69 2HD ARG 11 HD1 ARG 11 0.952 2.248 4.794 70 HE ARG 11 HE ARG 11 3.432 1.354 3.881 71 1HH1 ARG 11 HH11 ARG 11 1.223 3.995 2.888 72 2HH1 ARG 11 HH12 ARG 11 2.498 5.025 2.331 73 1HH2 ARG 11 HH21 ARG 11 5.122 2.761 3.096 74 2HH2 ARG 11 HH22 ARG 11 4.733 4.308 2.425 75 H CYS 12 HN CYS 12 -1.942 -2.612 2.553 76 HA CYS 12 HA CYS 12 -4.397 -2.518 4.116 77 1HB CYS 12 HB2 CYS 12 -4.002 -3.497 1.217 78 2HB CYS 12 HB1 CYS 12 -5.558 -3.269 2.077 79 1HN NH2 13 H1 NH2 13 -2.914 -6.288 3.116 80 2HN NH2 13 H2 NH2 13 -2.428 -4.894 2.182 Start of MODEL 10 1 1H GLY 1 HT1 GLY 1 -7.424 2.796 -5.065 2 2H GLY 1 HT2 GLY 1 -7.419 4.410 -5.595 3 3H GLY 1 HT3 GLY 1 -8.855 3.718 -4.996 4 1HA GLY 1 HA2 GLY 1 -7.777 5.217 -3.440 5 2HA GLY 1 HA1 GLY 1 -7.929 3.512 -2.848 6 H CYS 2 HN CYS 2 -6.203 3.414 -1.462 7 HA CYS 2 HA CYS 2 -3.569 4.234 -2.386 8 1HB CYS 2 HB2 CYS 2 -4.496 4.532 0.023 9 2HB CYS 2 HB1 CYS 2 -4.314 2.783 0.249 10 H CYS 3 HN CYS 3 -5.374 1.374 -1.304 11 HA CYS 3 HA CYS 3 -3.244 -0.387 -1.493 12 1HB CYS 3 HB2 CYS 3 -6.203 -1.178 -1.512 13 2HB CYS 3 HB1 CYS 3 -4.825 -2.129 -0.877 14 H SER 4 HN SER 4 -4.827 0.936 -4.175 15 HA SER 4 HA SER 4 -4.787 -1.367 -5.863 16 1HB SER 4 HB2 SER 4 -4.938 0.798 -7.525 17 2HB SER 4 HB1 SER 4 -6.370 0.240 -6.591 18 HG SER 4 HG SER 4 -5.550 2.579 -6.464 19 H ASP 5 HN ASP 5 -2.536 0.969 -4.477 20 HA ASP 5 HA ASP 5 -0.647 0.580 -6.649 21 1HB ASP 5 HB2 ASP 5 -0.868 2.858 -5.679 22 2HB ASP 5 HB1 ASP 5 -0.430 2.220 -4.052 23 HA PRO 6 HA PRO 6 0.320 -2.986 -4.337 24 1HB PRO 6 HB2 PRO 6 2.842 -3.761 -5.394 25 2HB PRO 6 HB1 PRO 6 1.269 -3.938 -6.262 26 1HG PRO 6 HG1 PRO 6 3.290 -1.651 -6.512 27 2HG PRO 6 HG2 PRO 6 2.457 -2.567 -7.834 28 1HD PRO 6 HD1 PRO 6 1.519 -0.120 -6.990 29 2HD PRO 6 HD2 PRO 6 0.334 -1.453 -7.355 30 H ARG 7 HN ARG 7 2.491 -0.279 -4.192 31 HA ARG 7 HA ARG 7 4.138 -1.364 -2.104 32 1HB ARG 7 HB2 ARG 7 3.922 1.541 -3.084 33 2HB ARG 7 HB1 ARG 7 5.211 0.844 -2.047 34 1HG ARG 7 HG2 ARG 7 5.825 -0.738 -3.914 35 2HG ARG 7 HG1 ARG 7 4.631 0.064 -4.985 36 1HD ARG 7 HD2 ARG 7 7.066 1.458 -3.665 37 2HD ARG 7 HD1 ARG 7 6.982 0.858 -5.379 38 HE ARG 7 HE ARG 7 4.739 2.599 -4.910 39 1HH1 ARG 7 HH11 ARG 7 8.306 2.734 -5.188 40 2HH1 ARG 7 HH12 ARG 7 8.328 4.349 -5.816 41 1HH2 ARG 7 HH21 ARG 7 4.801 4.773 -5.766 42 2HH2 ARG 7 HH22 ARG 7 6.317 5.517 -6.147 43 H CYS 8 HN CYS 8 0.998 0.015 -2.300 44 HA CYS 8 HA CYS 8 1.117 0.818 0.528 45 1HB CYS 8 HB2 CYS 8 -0.020 2.356 -1.169 46 2HB CYS 8 HB1 CYS 8 -1.224 1.061 -1.429 47 H ALA 9 HN ALA 9 -0.359 -1.382 -1.866 48 HA ALA 9 HA ALA 9 -2.302 -2.553 -0.547 49 1HB ALA 9 HB1 ALA 9 -2.022 -4.548 -1.994 50 2HB ALA 9 HB2 ALA 9 -0.319 -4.064 -2.345 51 3HB ALA 9 HB3 ALA 9 -1.693 -3.044 -2.921 52 H TRP 10 HN TRP 10 1.128 -3.521 -0.055 53 HA TRP 10 HA TRP 10 0.431 -5.823 1.448 54 1HB TRP 10 HB2 TRP 10 2.794 -5.993 2.080 55 2HB TRP 10 HB1 TRP 10 2.624 -5.685 0.322 56 HD1 TRP 10 HD1 TRP 10 3.249 -3.031 -0.468 57 HE1 TRP 10 HE1 TRP 10 4.573 -1.202 0.669 58 HE3 TRP 10 HE3 TRP 10 3.778 -5.194 4.112 59 HZ2 TRP 10 HZ2 TRP 10 6.206 -0.948 3.051 60 HZ3 TRP 10 HZ3 TRP 10 5.228 -4.109 5.795 61 HH2 TRP 10 HH2 TRP 10 6.435 -2.019 5.267 62 H ARG 11 HN ARG 11 0.593 -2.429 2.256 63 HA ARG 11 HA ARG 11 0.979 -2.906 5.094 64 1HB ARG 11 HB2 ARG 11 0.238 -0.318 3.588 65 2HB ARG 11 HB1 ARG 11 0.713 -0.444 5.316 66 1HG ARG 11 HG2 ARG 11 2.970 -1.290 4.631 67 2HG ARG 11 HG1 ARG 11 2.525 -1.120 2.904 68 1HD ARG 11 HD2 ARG 11 2.661 1.210 4.946 69 2HD ARG 11 HD1 ARG 11 3.921 0.791 3.702 70 HE ARG 11 HE ARG 11 1.243 1.142 2.544 71 1HH1 ARG 11 HH11 ARG 11 4.155 2.896 3.662 72 2HH1 ARG 11 HH12 ARG 11 3.873 4.273 2.651 73 1HH2 ARG 11 HH21 ARG 11 0.888 3.009 1.196 74 2HH2 ARG 11 HH22 ARG 11 2.003 4.333 1.227 75 H CYS 12 HN CYS 12 -1.491 -2.272 2.644 76 HA CYS 12 HA CYS 12 -3.640 -1.924 4.473 77 1HB CYS 12 HB2 CYS 12 -3.841 -3.091 1.634 78 2HB CYS 12 HB1 CYS 12 -5.168 -2.431 2.639 79 1HN NH2 13 H1 NH2 13 -3.035 -5.963 3.649 80 2HN NH2 13 H2 NH2 13 -2.405 -4.760 2.556 Start of MODEL 11 1 1H GLY 1 HT1 GLY 1 -6.523 5.044 -6.103 2 2H GLY 1 HT2 GLY 1 -8.162 4.597 -5.992 3 3H GLY 1 HT3 GLY 1 -6.958 3.406 -6.176 4 1HA GLY 1 HA2 GLY 1 -7.179 5.214 -3.877 5 2HA GLY 1 HA1 GLY 1 -7.790 3.508 -3.942 6 H CYS 2 HN CYS 2 -5.867 4.433 -2.016 7 HA CYS 2 HA CYS 2 -3.235 4.205 -2.755 8 1HB CYS 2 HB2 CYS 2 -4.244 5.059 -0.526 9 2HB CYS 2 HB1 CYS 2 -4.356 3.376 0.017 10 H CYS 3 HN CYS 3 -5.321 1.775 -1.190 11 HA CYS 3 HA CYS 3 -3.418 -0.201 -1.026 12 1HB CYS 3 HB2 CYS 3 -6.472 -0.545 -1.102 13 2HB CYS 3 HB1 CYS 3 -5.296 -1.712 -0.424 14 H SER 4 HN SER 4 -4.887 0.803 -3.932 15 HA SER 4 HA SER 4 -4.915 -1.787 -5.172 16 1HB SER 4 HB2 SER 4 -4.841 1.014 -6.466 17 2HB SER 4 HB1 SER 4 -5.315 -0.540 -7.254 18 HG SER 4 HG SER 4 -7.113 0.660 -6.618 19 H ASP 5 HN ASP 5 -2.557 0.761 -4.384 20 HA ASP 5 HA ASP 5 -0.904 0.086 -6.656 21 1HB ASP 5 HB2 ASP 5 -1.131 2.476 -5.978 22 2HB ASP 5 HB1 ASP 5 -0.447 2.081 -4.361 23 HA PRO 6 HA PRO 6 0.743 -3.121 -4.273 24 1HB PRO 6 HB2 PRO 6 3.471 -2.516 -5.579 25 2HB PRO 6 HB1 PRO 6 2.693 -4.133 -5.341 26 1HG PRO 6 HG1 PRO 6 2.514 -2.875 -7.768 27 2HG PRO 6 HG2 PRO 6 1.047 -3.674 -7.059 28 1HD PRO 6 HD1 PRO 6 1.709 -0.690 -7.129 29 2HD PRO 6 HD2 PRO 6 0.112 -1.556 -7.288 30 H ARG 7 HN ARG 7 2.578 -0.132 -4.090 31 HA ARG 7 HA ARG 7 4.331 -0.918 -1.998 32 1HB ARG 7 HB2 ARG 7 3.482 1.880 -2.968 33 2HB ARG 7 HB1 ARG 7 4.862 1.542 -1.871 34 1HG ARG 7 HG2 ARG 7 6.033 0.276 -3.630 35 2HG ARG 7 HG1 ARG 7 4.673 0.496 -4.778 36 1HD ARG 7 HD2 ARG 7 6.302 2.819 -3.526 37 2HD ARG 7 HD1 ARG 7 6.592 2.112 -5.178 38 HE ARG 7 HE ARG 7 3.847 2.750 -5.108 39 1HH1 ARG 7 HH21 ARG 7 6.904 4.567 -4.738 40 2HH1 ARG 7 HH22 ARG 7 6.274 6.025 -5.431 41 1HH2 ARG 7 HH11 ARG 7 3.020 4.709 -6.028 42 2HH2 ARG 7 HH12 ARG 7 4.032 6.102 -6.179 43 H CYS 8 HN CYS 8 1.053 0.086 -2.154 44 HA CYS 8 HA CYS 8 1.023 0.846 0.696 45 1HB CYS 8 HB2 CYS 8 0.148 2.503 -1.049 46 2HB CYS 8 HB1 CYS 8 -1.084 1.287 -1.479 47 H ALA 9 HN ALA 9 -0.419 -1.154 -1.930 48 HA ALA 9 HA ALA 9 -2.400 -2.426 -0.745 49 1HB ALA 9 HB1 ALA 9 -2.032 -4.337 -2.284 50 2HB ALA 9 HB2 ALA 9 -0.327 -3.816 -2.551 51 3HB ALA 9 HB3 ALA 9 -1.695 -2.798 -3.140 52 H TRP 10 HN TRP 10 1.037 -3.467 -0.433 53 HA TRP 10 HA TRP 10 0.382 -5.815 0.937 54 1HB TRP 10 HB2 TRP 10 2.704 -6.080 1.514 55 2HB TRP 10 HB1 TRP 10 2.588 -5.480 -0.168 56 HD1 TRP 10 HD1 TRP 10 2.932 -2.500 -0.181 57 HE1 TRP 10 HE1 TRP 10 4.716 -1.187 1.004 58 HE3 TRP 10 HE3 TRP 10 4.095 -5.968 3.348 59 HZ2 TRP 10 HZ2 TRP 10 6.588 -1.633 3.180 60 HZ3 TRP 10 HZ3 TRP 10 5.838 -5.444 5.017 61 HH2 TRP 10 HH2 TRP 10 7.069 -3.308 4.934 62 H ARG 11 HN ARG 11 0.591 -2.496 2.086 63 HA ARG 11 HA ARG 11 0.904 -3.346 4.857 64 1HB ARG 11 HB2 ARG 11 0.581 -0.545 3.624 65 2HB ARG 11 HB1 ARG 11 0.885 -0.898 5.363 66 1HG ARG 11 HG2 ARG 11 3.040 -2.026 4.765 67 2HG ARG 11 HG1 ARG 11 2.762 -1.648 3.038 68 1HD ARG 11 HD2 ARG 11 3.147 0.463 5.274 69 2HD ARG 11 HD1 ARG 11 4.399 -0.094 4.101 70 HE ARG 11 HE ARG 11 3.208 0.925 2.278 71 1HH1 ARG 11 HH11 ARG 11 1.643 1.608 5.429 72 2HH1 ARG 11 HH12 ARG 11 0.775 2.987 4.841 73 1HH2 ARG 11 HH21 ARG 11 2.088 2.814 1.543 74 2HH2 ARG 11 HH22 ARG 11 1.032 3.680 2.610 75 H CYS 12 HN CYS 12 -1.501 -2.163 2.516 76 HA CYS 12 HA CYS 12 -3.578 -1.881 4.447 77 1HB CYS 12 HB2 CYS 12 -3.821 -2.647 1.476 78 2HB CYS 12 HB1 CYS 12 -5.171 -2.175 2.555 79 1HN NH2 13 H1 NH2 13 -2.660 -4.570 2.153 80 2HN NH2 13 H2 NH2 13 -3.438 -5.816 3.082 Start of MODEL 12 1 1H GLY 1 HT1 GLY 1 -6.329 6.397 -5.208 2 2H GLY 1 HT2 GLY 1 -7.713 5.628 -5.830 3 3H GLY 1 HT3 GLY 1 -6.160 5.068 -6.246 4 1HA GLY 1 HA2 GLY 1 -7.303 5.064 -3.542 5 2HA GLY 1 HA1 GLY 1 -7.172 3.638 -4.656 6 H CYS 2 HN CYS 2 -5.995 3.825 -1.981 7 HA CYS 2 HA CYS 2 -3.151 4.198 -2.516 8 1HB CYS 2 HB2 CYS 2 -4.317 4.953 -0.336 9 2HB CYS 2 HB1 CYS 2 -4.437 3.240 0.127 10 H CYS 3 HN CYS 3 -5.326 1.686 -1.134 11 HA CYS 3 HA CYS 3 -3.414 -0.252 -1.002 12 1HB CYS 3 HB2 CYS 3 -6.461 -0.640 -1.165 13 2HB CYS 3 HB1 CYS 3 -5.290 -1.794 -0.455 14 H SER 4 HN SER 4 -4.785 0.765 -3.950 15 HA SER 4 HA SER 4 -4.843 -1.782 -5.245 16 1HB SER 4 HB2 SER 4 -4.940 0.083 -7.228 17 2HB SER 4 HB1 SER 4 -6.374 -0.228 -6.184 18 HG SER 4 HG SER 4 -5.639 2.028 -6.449 19 H ASP 5 HN ASP 5 -2.588 0.869 -4.451 20 HA ASP 5 HA ASP 5 -0.834 0.249 -6.648 21 1HB ASP 5 HB2 ASP 5 -1.137 2.615 -5.866 22 2HB ASP 5 HB1 ASP 5 -0.545 2.153 -4.233 23 HA PRO 6 HA PRO 6 0.574 -3.025 -4.308 24 1HB PRO 6 HB2 PRO 6 3.224 -3.544 -5.251 25 2HB PRO 6 HB1 PRO 6 1.692 -3.976 -6.099 26 1HG PRO 6 HG1 PRO 6 3.428 -1.488 -6.503 27 2HG PRO 6 HG2 PRO 6 2.678 -2.556 -7.760 28 1HD PRO 6 HD1 PRO 6 1.498 -0.182 -7.045 29 2HD PRO 6 HD2 PRO 6 0.453 -1.656 -7.292 30 H ARG 7 HN ARG 7 2.626 -0.207 -4.136 31 HA ARG 7 HA ARG 7 4.284 -1.070 -2.010 32 1HB ARG 7 HB2 ARG 7 3.543 1.787 -2.885 33 2HB ARG 7 HB1 ARG 7 4.926 1.336 -1.834 34 1HG ARG 7 HG2 ARG 7 5.990 0.089 -3.689 35 2HG ARG 7 HG1 ARG 7 4.611 0.441 -4.782 36 1HD ARG 7 HD2 ARG 7 6.450 2.583 -3.505 37 2HD ARG 7 HD1 ARG 7 6.561 1.965 -5.213 38 HE ARG 7 HE ARG 7 3.873 2.798 -4.818 39 1HH1 ARG 7 HH11 ARG 7 7.118 4.308 -4.824 40 2HH1 ARG 7 HH12 ARG 7 6.538 5.855 -5.347 41 1HH2 ARG 7 HH21 ARG 7 3.120 4.873 -5.508 42 2HH2 ARG 7 HH22 ARG 7 4.231 6.180 -5.740 43 H CYS 8 HN CYS 8 1.016 0.147 -2.221 44 HA CYS 8 HA CYS 8 1.017 0.768 0.666 45 1HB CYS 8 HB2 CYS 8 0.151 2.532 -0.913 46 2HB CYS 8 HB1 CYS 8 -1.063 1.358 -1.490 47 H ALA 9 HN ALA 9 -0.303 -1.268 -1.963 48 HA ALA 9 HA ALA 9 -2.349 -2.488 -0.760 49 1HB ALA 9 HB1 ALA 9 -1.662 -2.868 -3.156 50 2HB ALA 9 HB2 ALA 9 -2.034 -4.398 -2.295 51 3HB ALA 9 HB3 ALA 9 -0.316 -3.923 -2.571 52 H TRP 10 HN TRP 10 1.106 -3.422 -0.340 53 HA TRP 10 HA TRP 10 0.426 -5.775 1.086 54 1HB TRP 10 HB2 TRP 10 2.737 -6.017 1.727 55 2HB TRP 10 HB1 TRP 10 2.655 -5.532 0.003 56 HD1 TRP 10 HD1 TRP 10 3.634 -2.986 -0.557 57 HE1 TRP 10 HE1 TRP 10 4.826 -1.246 0.842 58 HE3 TRP 10 HE3 TRP 10 3.372 -5.300 3.975 59 HZ2 TRP 10 HZ2 TRP 10 6.090 -1.133 3.443 60 HZ3 TRP 10 HZ3 TRP 10 4.584 -4.327 5.893 61 HH2 TRP 10 HH2 TRP 10 5.931 -2.273 5.631 62 H ARG 11 HN ARG 11 0.546 -2.406 2.012 63 HA ARG 11 HA ARG 11 0.973 -2.951 4.817 64 1HB ARG 11 HB2 ARG 11 0.008 -0.334 3.501 65 2HB ARG 11 HB1 ARG 11 0.664 -0.547 5.160 66 1HG ARG 11 HG2 ARG 11 2.863 -1.292 4.105 67 2HG ARG 11 HG1 ARG 11 2.208 -0.845 2.498 68 1HD ARG 11 HD2 ARG 11 2.652 1.051 4.909 69 2HD ARG 11 HD1 ARG 11 3.625 0.988 3.374 70 HE ARG 11 HE ARG 11 0.851 1.405 2.710 71 1HH1 ARG 11 HH21 ARG 11 3.570 3.110 4.292 72 2HH1 ARG 11 HH22 ARG 11 2.967 4.692 3.926 73 1HH2 ARG 11 HH11 ARG 11 0.058 3.547 2.231 74 2HH2 ARG 11 HH12 ARG 11 0.943 4.943 2.753 75 H CYS 12 HN CYS 12 -1.628 -2.096 2.512 76 HA CYS 12 HA CYS 12 -3.661 -1.991 4.495 77 1HB CYS 12 HB2 CYS 12 -4.012 -2.735 1.535 78 2HB CYS 12 HB1 CYS 12 -5.297 -2.231 2.680 79 1HN NH2 13 H1 NH2 13 -3.314 -5.890 3.069 80 2HN NH2 13 H2 NH2 13 -2.617 -4.592 2.149 Start of MODEL 13 1 1H GLY 1 HT1 GLY 1 -6.912 3.057 -5.839 2 2H GLY 1 HT2 GLY 1 -6.399 4.666 -5.971 3 3H GLY 1 HT3 GLY 1 -8.049 4.322 -5.753 4 1HA GLY 1 HA2 GLY 1 -6.955 5.118 -3.753 5 2HA GLY 1 HA1 GLY 1 -7.624 3.435 -3.599 6 H CYS 2 HN CYS 2 -5.691 4.268 -1.782 7 HA CYS 2 HA CYS 2 -3.062 3.993 -2.535 8 1HB CYS 2 HB2 CYS 2 -4.099 4.806 -0.273 9 2HB CYS 2 HB1 CYS 2 -4.098 3.109 0.241 10 H CYS 3 HN CYS 3 -5.246 1.577 -1.078 11 HA CYS 3 HA CYS 3 -3.414 -0.471 -0.953 12 1HB CYS 3 HB2 CYS 3 -6.456 -0.765 -1.259 13 2HB CYS 3 HB1 CYS 3 -5.333 -1.991 -0.581 14 H SER 4 HN SER 4 -4.978 0.730 -3.821 15 HA SER 4 HA SER 4 -4.791 -1.768 -5.231 16 1HB SER 4 HB2 SER 4 -5.245 1.052 -6.379 17 2HB SER 4 HB1 SER 4 -5.656 -0.539 -7.135 18 HG SER 4 HG SER 4 -7.484 0.321 -6.231 19 H ASP 5 HN ASP 5 -2.544 0.719 -4.257 20 HA ASP 5 HA ASP 5 -0.956 0.432 -6.670 21 1HB ASP 5 HB2 ASP 5 -1.140 2.700 -5.694 22 2HB ASP 5 HB1 ASP 5 -0.444 2.102 -4.147 23 HA PRO 6 HA PRO 6 0.748 -3.040 -4.562 24 1HB PRO 6 HB2 PRO 6 3.349 -2.350 -6.091 25 2HB PRO 6 HB1 PRO 6 2.589 -3.981 -5.895 26 1HG PRO 6 HG1 PRO 6 2.213 -2.563 -8.213 27 2HG PRO 6 HG2 PRO 6 0.799 -3.393 -7.437 28 1HD PRO 6 HD1 PRO 6 1.519 -0.415 -7.329 29 2HD PRO 6 HD2 PRO 6 -0.103 -1.240 -7.464 30 H ARG 7 HN ARG 7 2.564 -0.019 -4.405 31 HA ARG 7 HA ARG 7 4.431 -1.014 -2.464 32 1HB ARG 7 HB2 ARG 7 3.832 1.869 -3.331 33 2HB ARG 7 HB1 ARG 7 5.268 1.327 -2.402 34 1HG ARG 7 HG2 ARG 7 6.035 -0.066 -4.294 35 2HG ARG 7 HG1 ARG 7 4.601 0.386 -5.276 36 1HD ARG 7 HD2 ARG 7 6.725 2.389 -4.253 37 2HD ARG 7 HD1 ARG 7 6.628 1.694 -5.933 38 HE ARG 7 HE ARG 7 4.070 2.834 -5.182 39 1HH1 ARG 7 HH11 ARG 7 7.385 3.790 -6.126 40 2HH1 ARG 7 HH12 ARG 7 6.907 5.306 -6.798 41 1HH2 ARG 7 HH21 ARG 7 3.435 4.866 -6.085 42 2HH2 ARG 7 HH22 ARG 7 4.611 5.930 -6.776 43 H CYS 8 HN CYS 8 1.217 -0.126 -2.318 44 HA CYS 8 HA CYS 8 1.449 0.730 0.497 45 1HB CYS 8 HB2 CYS 8 0.582 2.564 -0.951 46 2HB CYS 8 HB1 CYS 8 -0.661 1.460 -1.580 47 H ALA 9 HN ALA 9 -0.302 -1.195 -2.003 48 HA ALA 9 HA ALA 9 -2.247 -2.402 -0.869 49 1HB ALA 9 HB1 ALA 9 -1.724 -4.489 -2.148 50 2HB ALA 9 HB2 ALA 9 -0.020 -3.922 -2.351 51 3HB ALA 9 HB3 ALA 9 -1.377 -3.011 -3.107 52 H TRP 10 HN TRP 10 1.038 -3.664 -0.212 53 HA TRP 10 HA TRP 10 0.382 -5.756 1.425 54 1HB TRP 10 HB2 TRP 10 2.699 -5.623 2.350 55 2HB TRP 10 HB1 TRP 10 2.645 -5.560 0.568 56 HD1 TRP 10 HD1 TRP 10 2.333 -2.361 0.076 57 HE1 TRP 10 HE1 TRP 10 4.196 -0.800 0.639 58 HE3 TRP 10 HE3 TRP 10 4.848 -5.448 3.288 59 HZ2 TRP 10 HZ2 TRP 10 6.599 -0.868 2.284 60 HZ3 TRP 10 HZ3 TRP 10 6.962 -4.654 4.281 61 HH2 TRP 10 HH2 TRP 10 7.837 -2.406 3.779 62 H ARG 11 HN ARG 11 0.433 -2.303 2.264 63 HA ARG 11 HA ARG 11 0.676 -2.729 5.087 64 1HB ARG 11 HB2 ARG 11 -0.334 -0.247 3.558 65 2HB ARG 11 HB1 ARG 11 0.252 -0.287 5.256 66 1HG ARG 11 HG2 ARG 11 2.565 -0.795 4.432 67 2HG ARG 11 HG1 ARG 11 1.946 -0.897 2.744 68 1HD ARG 11 HD2 ARG 11 1.202 1.512 2.868 69 2HD ARG 11 HD1 ARG 11 1.999 1.648 4.495 70 HE ARG 11 HE ARG 11 3.983 0.581 2.820 71 1HH1 ARG 11 HH21 ARG 11 1.913 3.497 2.764 72 2HH1 ARG 11 HH22 ARG 11 3.063 4.470 1.913 73 1HH2 ARG 11 HH11 ARG 11 5.511 1.903 1.653 74 2HH2 ARG 11 HH12 ARG 11 5.145 3.557 1.287 75 H CYS 12 HN CYS 12 -1.824 -2.825 2.658 76 HA CYS 12 HA CYS 12 -3.946 -2.283 4.582 77 1HB CYS 12 HB2 CYS 12 -4.201 -3.120 1.646 78 2HB CYS 12 HB1 CYS 12 -5.494 -2.509 2.727 79 1HN NH2 13 H1 NH2 13 -1.939 -4.904 4.062 80 2HN NH2 13 H2 NH2 13 -3.078 -6.181 4.348 Start of MODEL 14 1 1H GLY 1 HT1 GLY 1 -6.927 4.135 -4.824 2 2H GLY 1 HT2 GLY 1 -5.901 5.483 -4.724 3 3H GLY 1 HT3 GLY 1 -7.561 5.656 -4.402 4 1HA GLY 1 HA2 GLY 1 -6.209 5.654 -2.414 5 2HA GLY 1 HA1 GLY 1 -7.392 4.276 -2.496 6 H CYS 2 HN CYS 2 -5.058 4.315 -0.833 7 HA CYS 2 HA CYS 2 -2.689 3.487 -1.495 8 1HB CYS 2 HB2 CYS 2 -3.540 3.739 0.851 9 2HB CYS 2 HB1 CYS 2 -4.429 2.219 0.726 10 H CYS 3 HN CYS 3 -5.228 1.120 -0.847 11 HA CYS 3 HA CYS 3 -3.729 -1.090 -1.348 12 1HB CYS 3 HB2 CYS 3 -6.766 -1.048 -1.633 13 2HB CYS 3 HB1 CYS 3 -5.731 -2.409 -1.106 14 H SER 4 HN SER 4 -4.696 0.972 -3.828 15 HA SER 4 HA SER 4 -5.160 -1.127 -5.780 16 1HB SER 4 HB2 SER 4 -5.228 0.724 -7.446 17 2HB SER 4 HB1 SER 4 -6.388 1.004 -6.098 18 HG SER 4 HG SER 4 -4.941 2.508 -5.205 19 H ASP 5 HN ASP 5 -2.476 0.756 -4.390 20 HA ASP 5 HA ASP 5 -0.833 0.161 -6.732 21 1HB ASP 5 HB2 ASP 5 -0.953 2.528 -6.030 22 2HB ASP 5 HB1 ASP 5 -0.406 2.088 -4.370 23 HA PRO 6 HA PRO 6 0.394 -3.118 -4.073 24 1HB PRO 6 HB2 PRO 6 2.702 -4.119 -5.354 25 2HB PRO 6 HB1 PRO 6 1.029 -4.321 -5.994 26 1HG PRO 6 HG1 PRO 6 3.078 -2.172 -6.751 27 2HG PRO 6 HG2 PRO 6 2.083 -3.206 -7.855 28 1HD PRO 6 HD1 PRO 6 1.313 -0.631 -7.197 29 2HD PRO 6 HD2 PRO 6 0.057 -1.945 -7.319 30 H ARG 7 HN ARG 7 2.449 -0.382 -4.513 31 HA ARG 7 HA ARG 7 4.443 -1.286 -2.616 32 1HB ARG 7 HB2 ARG 7 4.185 1.497 -3.858 33 2HB ARG 7 HB1 ARG 7 5.645 0.755 -3.133 34 1HG ARG 7 HG2 ARG 7 4.288 -0.157 -5.775 35 2HG ARG 7 HG1 ARG 7 5.657 0.971 -5.627 36 1HD ARG 7 HD2 ARG 7 6.537 -1.178 -6.283 37 2HD ARG 7 HD1 ARG 7 7.073 -0.849 -4.581 38 HE ARG 7 HE ARG 7 4.741 -2.308 -4.239 39 1HH1 ARG 7 HH11 ARG 7 7.712 -2.927 -6.152 40 2HH1 ARG 7 HH12 ARG 7 7.675 -4.635 -5.874 41 1HH2 ARG 7 HH21 ARG 7 4.733 -4.580 -3.876 42 2HH2 ARG 7 HH22 ARG 7 5.942 -5.593 -4.593 43 H CYS 8 HN CYS 8 1.350 -0.022 -2.483 44 HA CYS 8 HA CYS 8 1.870 1.082 0.204 45 1HB CYS 8 HB2 CYS 8 0.870 2.703 -1.496 46 2HB CYS 8 HB1 CYS 8 -0.553 1.634 -1.604 47 H ALA 9 HN ALA 9 -0.186 -0.959 -1.943 48 HA ALA 9 HA ALA 9 -2.049 -1.714 -0.252 49 1HB ALA 9 HB1 ALA 9 -0.841 -3.593 -2.360 50 2HB ALA 9 HB2 ALA 9 -1.984 -2.247 -2.722 51 3HB ALA 9 HB3 ALA 9 -2.524 -3.634 -1.717 52 H TRP 10 HN TRP 10 1.175 -2.959 0.114 53 HA TRP 10 HA TRP 10 0.563 -5.382 1.420 54 1HB TRP 10 HB2 TRP 10 2.815 -5.142 2.548 55 2HB TRP 10 HB1 TRP 10 2.869 -5.008 0.764 56 HD1 TRP 10 HD1 TRP 10 3.024 -2.357 -0.215 57 HE1 TRP 10 HE1 TRP 10 4.228 -0.341 0.704 58 HE3 TRP 10 HE3 TRP 10 3.619 -4.058 4.548 59 HZ2 TRP 10 HZ2 TRP 10 5.466 0.400 3.232 60 HZ3 TRP 10 HZ3 TRP 10 4.836 -2.658 6.184 61 HH2 TRP 10 HH2 TRP 10 5.738 -0.456 5.539 62 H ARG 11 HN ARG 11 0.440 -1.988 2.397 63 HA ARG 11 HA ARG 11 0.330 -2.421 5.178 64 1HB ARG 11 HB2 ARG 11 -0.761 -0.104 3.465 65 2HB ARG 11 HB1 ARG 11 -0.546 -0.057 5.250 66 1HG ARG 11 HG2 ARG 11 1.892 -0.235 5.024 67 2HG ARG 11 HG1 ARG 11 1.764 -0.525 3.255 68 1HD ARG 11 HD2 ARG 11 0.817 1.740 2.885 69 2HD ARG 11 HD1 ARG 11 0.973 2.112 4.661 70 HE ARG 11 HE ARG 11 3.514 1.261 3.997 71 1HH1 ARG 11 HH11 ARG 11 1.368 3.706 2.485 72 2HH1 ARG 11 HH12 ARG 11 2.683 4.694 1.943 73 1HH2 ARG 11 HH21 ARG 11 5.240 2.592 3.221 74 2HH2 ARG 11 HH22 ARG 11 4.906 4.048 2.348 75 H CYS 12 HN CYS 12 -1.932 -2.902 2.564 76 HA CYS 12 HA CYS 12 -4.263 -2.718 4.306 77 1HB CYS 12 HB2 CYS 12 -4.169 -3.572 1.362 78 2HB CYS 12 HB1 CYS 12 -5.608 -3.140 2.336 79 1HN NH2 13 H1 NH2 13 -1.789 -4.971 3.833 80 2HN NH2 13 H2 NH2 13 -2.710 -6.435 3.912 Start of MODEL 15 1 1H GLY 1 HT1 GLY 1 -6.493 6.042 -4.574 2 2H GLY 1 HT2 GLY 1 -7.906 5.496 -5.343 3 3H GLY 1 HT3 GLY 1 -6.382 5.005 -5.911 4 1HA GLY 1 HA2 GLY 1 -7.528 4.355 -3.284 5 2HA GLY 1 HA1 GLY 1 -7.420 3.252 -4.719 6 H CYS 2 HN CYS 2 -5.939 4.038 -1.801 7 HA CYS 2 HA CYS 2 -3.222 4.052 -2.546 8 1HB CYS 2 HB2 CYS 2 -4.311 4.801 -0.300 9 2HB CYS 2 HB1 CYS 2 -4.315 3.096 0.185 10 H CYS 3 HN CYS 3 -5.383 1.567 -1.193 11 HA CYS 3 HA CYS 3 -3.506 -0.495 -1.199 12 1HB CYS 3 HB2 CYS 3 -6.571 -0.745 -1.235 13 2HB CYS 3 HB1 CYS 3 -5.414 -1.954 -0.606 14 H SER 4 HN SER 4 -4.474 0.901 -3.932 15 HA SER 4 HA SER 4 -4.763 -1.589 -5.454 16 1HB SER 4 HB2 SER 4 -5.158 1.319 -6.388 17 2HB SER 4 HB1 SER 4 -5.597 -0.185 -7.285 18 HG SER 4 HG SER 4 -7.154 -0.579 -5.700 19 H ASP 5 HN ASP 5 -2.446 0.676 -4.268 20 HA ASP 5 HA ASP 5 -0.750 0.365 -6.632 21 1HB ASP 5 HB2 ASP 5 -0.975 2.696 -5.721 22 2HB ASP 5 HB1 ASP 5 -0.428 2.120 -4.107 23 HA PRO 6 HA PRO 6 0.460 -3.056 -4.259 24 1HB PRO 6 HB2 PRO 6 3.034 -3.721 -5.259 25 2HB PRO 6 HB1 PRO 6 1.484 -4.013 -6.134 26 1HG PRO 6 HG1 PRO 6 3.391 -1.634 -6.426 27 2HG PRO 6 HG2 PRO 6 2.616 -2.621 -7.735 28 1HD PRO 6 HD1 PRO 6 1.572 -0.190 -6.950 29 2HD PRO 6 HD2 PRO 6 0.444 -1.573 -7.321 30 H ARG 7 HN ARG 7 2.551 -0.262 -4.171 31 HA ARG 7 HA ARG 7 4.239 -1.268 -2.078 32 1HB ARG 7 HB2 ARG 7 3.958 1.599 -3.155 33 2HB ARG 7 HB1 ARG 7 5.276 0.976 -2.101 34 1HG ARG 7 HG2 ARG 7 5.990 -0.612 -3.874 35 2HG ARG 7 HG1 ARG 7 4.714 0.001 -4.981 36 1HD ARG 7 HD2 ARG 7 7.008 1.706 -3.791 37 2HD ARG 7 HD1 ARG 7 6.966 1.003 -5.474 38 HE ARG 7 HE ARG 7 4.561 2.517 -5.073 39 1HH1 ARG 7 HH21 ARG 7 8.090 3.040 -5.316 40 2HH1 ARG 7 HH22 ARG 7 7.949 4.626 -5.999 41 1HH2 ARG 7 HH11 ARG 7 4.392 4.662 -6.001 42 2HH2 ARG 7 HH12 ARG 7 5.820 5.558 -6.392 43 H CYS 8 HN CYS 8 1.107 -0.083 -2.201 44 HA CYS 8 HA CYS 8 1.229 0.735 0.636 45 1HB CYS 8 HB2 CYS 8 0.406 2.550 -0.855 46 2HB CYS 8 HB1 CYS 8 -0.816 1.439 -1.523 47 H ALA 9 HN ALA 9 -0.301 -1.295 -1.922 48 HA ALA 9 HA ALA 9 -2.320 -2.353 -0.491 49 1HB ALA 9 HB1 ALA 9 -1.986 -2.783 -2.933 50 2HB ALA 9 HB2 ALA 9 -2.284 -4.304 -2.026 51 3HB ALA 9 HB3 ALA 9 -0.610 -3.883 -2.535 52 H TRP 10 HN TRP 10 1.105 -3.383 -0.267 53 HA TRP 10 HA TRP 10 0.523 -5.716 1.214 54 1HB TRP 10 HB2 TRP 10 2.863 -5.855 1.807 55 2HB TRP 10 HB1 TRP 10 2.722 -5.392 0.079 56 HD1 TRP 10 HD1 TRP 10 3.053 -2.516 -0.294 57 HE1 TRP 10 HE1 TRP 10 4.588 -0.907 0.907 58 HE3 TRP 10 HE3 TRP 10 4.121 -5.450 3.720 59 HZ2 TRP 10 HZ2 TRP 10 6.334 -0.990 3.233 60 HZ3 TRP 10 HZ3 TRP 10 5.715 -4.629 5.426 61 HH2 TRP 10 HH2 TRP 10 6.798 -2.425 5.185 62 H ARG 11 HN ARG 11 0.477 -2.341 2.124 63 HA ARG 11 HA ARG 11 0.942 -2.858 4.933 64 1HB ARG 11 HB2 ARG 11 -0.163 -0.282 3.651 65 2HB ARG 11 HB1 ARG 11 0.644 -0.465 5.247 66 1HG ARG 11 HG2 ARG 11 2.808 -0.979 4.050 67 2HG ARG 11 HG1 ARG 11 1.957 -0.849 2.474 68 1HD ARG 11 HD2 ARG 11 1.337 1.556 3.039 69 2HD ARG 11 HD1 ARG 11 2.404 1.460 4.496 70 HE ARG 11 HE ARG 11 3.210 1.291 1.586 71 1HH1 ARG 11 HH11 ARG 11 4.298 1.339 5.005 72 2HH1 ARG 11 HH12 ARG 11 5.958 1.588 4.591 73 1HH2 ARG 11 HH21 ARG 11 5.408 1.642 1.077 74 2HH2 ARG 11 HH22 ARG 11 6.604 1.766 2.323 75 H CYS 12 HN CYS 12 -1.630 -2.172 2.569 76 HA CYS 12 HA CYS 12 -3.744 -2.057 4.442 77 1HB CYS 12 HB2 CYS 12 -3.935 -2.928 1.498 78 2HB CYS 12 HB1 CYS 12 -5.282 -2.406 2.558 79 1HN NH2 13 H1 NH2 13 -2.550 -4.710 2.240 80 2HN NH2 13 H2 NH2 13 -3.290 -5.996 3.149 Start of MODEL 16 1 1H GLY 1 HT1 GLY 1 -6.477 5.370 -5.633 2 2H GLY 1 HT2 GLY 1 -8.062 4.754 -5.678 3 3H GLY 1 HT3 GLY 1 -6.738 3.743 -6.030 4 1HA GLY 1 HA2 GLY 1 -7.209 5.042 -3.443 5 2HA GLY 1 HA1 GLY 1 -7.611 3.323 -3.858 6 H CYS 2 HN CYS 2 -5.821 4.148 -1.724 7 HA CYS 2 HA CYS 2 -3.142 4.077 -2.552 8 1HB CYS 2 HB2 CYS 2 -4.172 4.867 -0.280 9 2HB CYS 2 HB1 CYS 2 -4.168 3.167 0.223 10 H CYS 3 HN CYS 3 -5.318 1.645 -1.139 11 HA CYS 3 HA CYS 3 -3.476 -0.413 -1.012 12 1HB CYS 3 HB2 CYS 3 -6.537 -0.657 -1.247 13 2HB CYS 3 HB1 CYS 3 -5.424 -1.885 -0.563 14 H SER 4 HN SER 4 -4.935 0.841 -3.833 15 HA SER 4 HA SER 4 -4.989 -1.582 -5.331 16 1HB SER 4 HB2 SER 4 -4.813 1.336 -6.326 17 2HB SER 4 HB1 SER 4 -5.410 -0.104 -7.244 18 HG SER 4 HG SER 4 -7.128 1.063 -6.444 19 H ASP 5 HN ASP 5 -2.554 0.830 -4.308 20 HA ASP 5 HA ASP 5 -0.911 0.298 -6.623 21 1HB ASP 5 HB2 ASP 5 -1.033 2.610 -5.738 22 2HB ASP 5 HB1 ASP 5 -0.371 2.055 -4.158 23 HA PRO 6 HA PRO 6 0.624 -3.142 -4.411 24 1HB PRO 6 HB2 PRO 6 3.316 -2.582 -5.818 25 2HB PRO 6 HB1 PRO 6 2.485 -4.179 -5.622 26 1HG PRO 6 HG1 PRO 6 2.268 -2.804 -7.982 27 2HG PRO 6 HG2 PRO 6 0.795 -3.570 -7.253 28 1HD PRO 6 HD1 PRO 6 1.588 -0.612 -7.198 29 2HD PRO 6 HD2 PRO 6 -0.049 -1.402 -7.358 30 H ARG 7 HN ARG 7 2.602 -0.208 -4.254 31 HA ARG 7 HA ARG 7 4.206 -1.269 -2.099 32 1HB ARG 7 HB2 ARG 7 4.189 1.548 -3.330 33 2HB ARG 7 HB1 ARG 7 5.386 0.921 -2.154 34 1HG ARG 7 HG2 ARG 7 4.994 0.062 -5.083 35 2HG ARG 7 HG1 ARG 7 6.397 0.873 -4.325 36 1HD ARG 7 HD2 ARG 7 5.517 -2.070 -4.054 37 2HD ARG 7 HD1 ARG 7 7.092 -1.405 -4.659 38 HE ARG 7 HE ARG 7 6.475 -0.675 -1.868 39 1HH1 ARG 7 HH11 ARG 7 7.716 -3.333 -3.917 40 2HH1 ARG 7 HH12 ARG 7 8.428 -4.196 -2.596 41 1HH2 ARG 7 HH21 ARG 7 7.475 -1.829 -0.115 42 2HH2 ARG 7 HH22 ARG 7 8.283 -3.330 -0.403 43 H CYS 8 HN CYS 8 1.183 -0.181 -2.221 44 HA CYS 8 HA CYS 8 1.320 0.730 0.583 45 1HB CYS 8 HB2 CYS 8 0.542 2.587 -0.875 46 2HB CYS 8 HB1 CYS 8 -0.709 1.528 -1.561 47 H ALA 9 HN ALA 9 -0.308 -1.220 -1.981 48 HA ALA 9 HA ALA 9 -2.271 -2.410 -0.682 49 1HB ALA 9 HB1 ALA 9 -1.677 -2.895 -3.069 50 2HB ALA 9 HB2 ALA 9 -1.977 -4.398 -2.136 51 3HB ALA 9 HB3 ALA 9 -0.284 -3.895 -2.502 52 H TRP 10 HN TRP 10 1.171 -3.288 -0.203 53 HA TRP 10 HA TRP 10 0.631 -5.643 1.233 54 1HB TRP 10 HB2 TRP 10 2.955 -5.581 2.036 55 2HB TRP 10 HB1 TRP 10 2.870 -5.240 0.279 56 HD1 TRP 10 HD1 TRP 10 3.230 -2.543 -0.420 57 HE1 TRP 10 HE1 TRP 10 4.298 -0.589 0.781 58 HE3 TRP 10 HE3 TRP 10 3.801 -4.743 4.130 59 HZ2 TRP 10 HZ2 TRP 10 5.648 -0.161 3.318 60 HZ3 TRP 10 HZ3 TRP 10 4.997 -3.520 5.919 61 HH2 TRP 10 HH2 TRP 10 5.904 -1.258 5.518 62 H ARG 11 HN ARG 11 0.425 -2.263 2.185 63 HA ARG 11 HA ARG 11 0.753 -2.778 5.006 64 1HB ARG 11 HB2 ARG 11 -0.418 -0.302 3.578 65 2HB ARG 11 HB1 ARG 11 0.151 -0.382 5.278 66 1HG ARG 11 HG2 ARG 11 2.494 -0.616 4.496 67 2HG ARG 11 HG1 ARG 11 1.939 -0.758 2.791 68 1HD ARG 11 HD2 ARG 11 0.912 1.555 2.950 69 2HD ARG 11 HD1 ARG 11 1.693 1.755 4.579 70 HE ARG 11 HE ARG 11 3.828 0.995 3.016 71 1HH1 ARG 11 HH21 ARG 11 1.303 3.488 2.528 72 2HH1 ARG 11 HH22 ARG 11 2.323 4.525 1.590 73 1HH2 ARG 11 HH11 ARG 11 5.165 2.395 1.729 74 2HH2 ARG 11 HH12 ARG 11 4.560 3.912 1.158 75 H CYS 12 HN CYS 12 -1.737 -2.382 2.523 76 HA CYS 12 HA CYS 12 -3.896 -2.237 4.415 77 1HB CYS 12 HB2 CYS 12 -4.077 -2.890 1.420 78 2HB CYS 12 HB1 CYS 12 -5.413 -2.410 2.512 79 1HN NH2 13 H1 NH2 13 -2.676 -4.714 2.020 80 2HN NH2 13 H2 NH2 13 -3.478 -6.058 2.785 Start of MODEL 17 1 1H GLY 1 HT1 GLY 1 -8.119 5.414 -5.425 2 2H GLY 1 HT2 GLY 1 -6.599 4.890 -5.981 3 3H GLY 1 HT3 GLY 1 -6.695 6.027 -4.725 4 1HA GLY 1 HA2 GLY 1 -7.670 4.445 -3.282 5 2HA GLY 1 HA1 GLY 1 -7.611 3.234 -4.634 6 H CYS 2 HN CYS 2 -6.111 3.939 -1.804 7 HA CYS 2 HA CYS 2 -3.408 4.146 -2.533 8 1HB CYS 2 HB2 CYS 2 -4.497 4.710 -0.259 9 2HB CYS 2 HB1 CYS 2 -4.520 2.977 0.115 10 H CYS 3 HN CYS 3 -5.386 1.455 -1.303 11 HA CYS 3 HA CYS 3 -3.394 -0.451 -1.357 12 1HB CYS 3 HB2 CYS 3 -6.401 -1.034 -1.535 13 2HB CYS 3 HB1 CYS 3 -5.127 -2.065 -0.810 14 H SER 4 HN SER 4 -4.968 0.888 -4.057 15 HA SER 4 HA SER 4 -4.875 -1.418 -5.737 16 1HB SER 4 HB2 SER 4 -4.970 1.568 -6.508 17 2HB SER 4 HB1 SER 4 -5.494 0.156 -7.507 18 HG SER 4 HG SER 4 -7.244 1.175 -6.522 19 H ASP 5 HN ASP 5 -2.553 0.827 -4.405 20 HA ASP 5 HA ASP 5 -0.726 0.460 -6.653 21 1HB ASP 5 HB2 ASP 5 -1.005 2.786 -5.763 22 2HB ASP 5 HB1 ASP 5 -0.537 2.215 -4.123 23 HA PRO 6 HA PRO 6 0.362 -2.977 -4.275 24 1HB PRO 6 HB2 PRO 6 2.931 -3.700 -5.222 25 2HB PRO 6 HB1 PRO 6 1.399 -3.910 -6.154 26 1HG PRO 6 HG1 PRO 6 3.382 -1.580 -6.323 27 2HG PRO 6 HG2 PRO 6 2.640 -2.523 -7.680 28 1HD PRO 6 HD1 PRO 6 1.594 -0.099 -6.898 29 2HD PRO 6 HD2 PRO 6 0.464 -1.468 -7.313 30 H ARG 7 HN ARG 7 2.459 -0.215 -4.075 31 HA ARG 7 HA ARG 7 4.153 -1.239 -2.008 32 1HB ARG 7 HB2 ARG 7 3.682 1.657 -2.928 33 2HB ARG 7 HB1 ARG 7 5.025 1.100 -1.878 34 1HG ARG 7 HG2 ARG 7 5.971 -0.267 -3.681 35 2HG ARG 7 HG1 ARG 7 4.600 0.099 -4.776 36 1HD ARG 7 HD2 ARG 7 6.560 2.224 -3.663 37 2HD ARG 7 HD1 ARG 7 6.647 1.460 -5.313 38 HE ARG 7 HE ARG 7 3.995 2.498 -4.933 39 1HH1 ARG 7 HH11 ARG 7 7.345 3.695 -5.315 40 2HH1 ARG 7 HH12 ARG 7 6.869 5.182 -6.065 41 1HH2 ARG 7 HH21 ARG 7 3.377 4.487 -5.942 42 2HH2 ARG 7 HH22 ARG 7 4.577 5.638 -6.427 43 H CYS 8 HN CYS 8 0.982 0.024 -2.160 44 HA CYS 8 HA CYS 8 1.005 0.761 0.690 45 1HB CYS 8 HB2 CYS 8 -0.034 2.379 -0.977 46 2HB CYS 8 HB1 CYS 8 -1.175 1.082 -1.432 47 H ALA 9 HN ALA 9 -0.355 -1.374 -1.840 48 HA ALA 9 HA ALA 9 -2.296 -2.638 -0.563 49 1HB ALA 9 HB1 ALA 9 -0.285 -4.030 -2.413 50 2HB ALA 9 HB2 ALA 9 -1.691 -3.035 -2.953 51 3HB ALA 9 HB3 ALA 9 -1.968 -4.571 -2.063 52 H TRP 10 HN TRP 10 1.180 -3.511 -0.157 53 HA TRP 10 HA TRP 10 0.555 -5.876 1.276 54 1HB TRP 10 HB2 TRP 10 2.909 -6.073 1.839 55 2HB TRP 10 HB1 TRP 10 2.730 -5.630 0.112 56 HD1 TRP 10 HD1 TRP 10 3.396 -2.938 -0.477 57 HE1 TRP 10 HE1 TRP 10 4.763 -1.222 0.781 58 HE3 TRP 10 HE3 TRP 10 3.880 -5.435 3.933 59 HZ2 TRP 10 HZ2 TRP 10 6.354 -1.147 3.199 60 HZ3 TRP 10 HZ3 TRP 10 5.315 -4.481 5.704 61 HH2 TRP 10 HH2 TRP 10 6.536 -2.365 5.341 62 H ARG 11 HN ARG 11 0.650 -2.536 2.222 63 HA ARG 11 HA ARG 11 1.048 -3.146 5.047 64 1HB ARG 11 HB2 ARG 11 0.444 -0.477 3.607 65 2HB ARG 11 HB1 ARG 11 0.837 -0.673 5.352 66 1HG ARG 11 HG2 ARG 11 3.069 -1.619 4.734 67 2HG ARG 11 HG1 ARG 11 2.716 -1.368 2.995 68 1HD ARG 11 HD2 ARG 11 2.806 0.929 5.085 69 2HD ARG 11 HD1 ARG 11 4.201 0.398 4.074 70 HE ARG 11 HE ARG 11 3.133 1.158 2.085 71 1HH1 ARG 11 HH21 ARG 11 1.097 1.870 4.947 72 2HH1 ARG 11 HH22 ARG 11 0.289 3.204 4.195 73 1HH2 ARG 11 HH11 ARG 11 2.070 2.974 1.128 74 2HH2 ARG 11 HH12 ARG 11 0.827 3.818 1.989 75 H CYS 12 HN CYS 12 -1.301 -2.029 2.668 76 HA CYS 12 HA CYS 12 -3.486 -1.598 4.349 77 1HB CYS 12 HB2 CYS 12 -3.245 -0.750 2.008 78 2HB CYS 12 HB1 CYS 12 -3.340 -2.425 1.392 79 1HN NH2 13 H1 NH2 13 -3.608 -5.616 3.242 80 2HN NH2 13 H2 NH2 13 -2.601 -4.525 2.340 Start of MODEL 18 1 1H GLY 1 HT1 GLY 1 -9.202 3.510 -4.160 2 2H GLY 1 HT2 GLY 1 -8.272 2.199 -3.612 3 3H GLY 1 HT3 GLY 1 -7.827 3.016 -5.029 4 1HA GLY 1 HA2 GLY 1 -7.414 5.005 -3.792 5 2HA GLY 1 HA1 GLY 1 -7.806 4.076 -2.287 6 H CYS 2 HN CYS 2 -5.742 4.361 -1.377 7 HA CYS 2 HA CYS 2 -3.339 4.268 -2.605 8 1HB CYS 2 HB2 CYS 2 -3.994 4.916 -0.169 9 2HB CYS 2 HB1 CYS 2 -3.822 3.212 0.268 10 H CYS 3 HN CYS 3 -5.028 1.621 -0.956 11 HA CYS 3 HA CYS 3 -2.955 -0.261 -1.506 12 1HB CYS 3 HB2 CYS 3 -5.755 -0.642 -0.310 13 2HB CYS 3 HB1 CYS 3 -4.570 -1.969 -0.493 14 H SER 4 HN SER 4 -4.431 1.001 -3.856 15 HA SER 4 HA SER 4 -5.093 -1.467 -5.283 16 1HB SER 4 HB2 SER 4 -4.620 1.314 -6.534 17 2HB SER 4 HB1 SER 4 -5.560 -0.076 -7.199 18 HG SER 4 HG SER 4 -6.125 1.760 -5.122 19 H ASP 5 HN ASP 5 -2.493 0.831 -4.452 20 HA ASP 5 HA ASP 5 -0.892 0.083 -6.734 21 1HB ASP 5 HB2 ASP 5 -1.066 2.475 -6.059 22 2HB ASP 5 HB1 ASP 5 -0.494 2.064 -4.405 23 HA PRO 6 HA PRO 6 0.493 -3.134 -4.175 24 1HB PRO 6 HB2 PRO 6 2.947 -3.942 -5.331 25 2HB PRO 6 HB1 PRO 6 1.329 -4.234 -6.080 26 1HG PRO 6 HG1 PRO 6 3.254 -1.916 -6.652 27 2HG PRO 6 HG2 PRO 6 2.400 -2.985 -7.841 28 1HD PRO 6 HD1 PRO 6 1.388 -0.518 -7.184 29 2HD PRO 6 HD2 PRO 6 0.247 -1.932 -7.349 30 H ARG 7 HN ARG 7 2.482 -0.325 -4.435 31 HA ARG 7 HA ARG 7 4.430 -1.128 -2.496 32 1HB ARG 7 HB2 ARG 7 3.820 1.726 -3.448 33 2HB ARG 7 HB1 ARG 7 5.349 1.117 -2.737 34 1HG ARG 7 HG2 ARG 7 5.751 -0.290 -4.764 35 2HG ARG 7 HG1 ARG 7 4.209 0.268 -5.492 36 1HD ARG 7 HD2 ARG 7 6.615 2.092 -4.822 37 2HD ARG 7 HD1 ARG 7 6.135 1.477 -6.462 38 HE ARG 7 HE ARG 7 4.105 2.995 -4.841 39 1HH1 ARG 7 HH11 ARG 7 6.350 3.016 -7.640 40 2HH1 ARG 7 HH12 ARG 7 5.538 4.329 -8.424 41 1HH2 ARG 7 HH21 ARG 7 3.057 4.739 -5.921 42 2HH2 ARG 7 HH22 ARG 7 3.659 5.324 -7.437 43 H CYS 8 HN CYS 8 1.212 -0.074 -2.409 44 HA CYS 8 HA CYS 8 1.495 0.892 0.365 45 1HB CYS 8 HB2 CYS 8 0.581 2.585 -1.316 46 2HB CYS 8 HB1 CYS 8 -0.769 1.458 -1.632 47 H ALA 9 HN ALA 9 -0.207 -1.211 -2.010 48 HA ALA 9 HA ALA 9 -2.226 -2.131 -0.556 49 1HB ALA 9 HB1 ALA 9 -1.843 -2.738 -2.956 50 2HB ALA 9 HB2 ALA 9 -2.267 -4.162 -1.950 51 3HB ALA 9 HB3 ALA 9 -0.551 -3.887 -2.427 52 H TRP 10 HN TRP 10 1.102 -3.185 -0.071 53 HA TRP 10 HA TRP 10 0.447 -5.475 1.429 54 1HB TRP 10 HB2 TRP 10 2.763 -5.472 2.256 55 2HB TRP 10 HB1 TRP 10 2.695 -5.224 0.479 56 HD1 TRP 10 HD1 TRP 10 3.116 -2.526 -0.340 57 HE1 TRP 10 HE1 TRP 10 4.422 -0.648 0.729 58 HE3 TRP 10 HE3 TRP 10 3.709 -4.636 4.253 59 HZ2 TRP 10 HZ2 TRP 10 5.891 -0.253 3.212 60 HZ3 TRP 10 HZ3 TRP 10 5.122 -3.494 5.934 61 HH2 TRP 10 HH2 TRP 10 6.192 -1.328 5.421 62 H ARG 11 HN ARG 11 0.271 -2.053 2.244 63 HA ARG 11 HA ARG 11 0.505 -2.439 5.068 64 1HB ARG 11 HB2 ARG 11 -0.843 -0.159 3.492 65 2HB ARG 11 HB1 ARG 11 -0.430 -0.123 5.235 66 1HG ARG 11 HG2 ARG 11 1.580 -0.316 2.896 67 2HG ARG 11 HG1 ARG 11 1.149 1.186 3.765 68 1HD ARG 11 HD2 ARG 11 2.483 -1.302 5.049 69 2HD ARG 11 HD1 ARG 11 3.342 0.215 4.553 70 HE ARG 11 HE ARG 11 1.433 1.256 6.187 71 1HH1 ARG 11 HH11 ARG 11 3.607 -1.551 6.645 72 2HH1 ARG 11 HH12 ARG 11 3.763 -1.318 8.358 73 1HH2 ARG 11 HH21 ARG 11 1.641 1.529 8.491 74 2HH2 ARG 11 HH22 ARG 11 2.620 0.441 9.418 75 H CYS 12 HN CYS 12 -1.932 -2.958 2.619 76 HA CYS 12 HA CYS 12 -4.028 -3.145 4.667 77 1HB CYS 12 HB2 CYS 12 -4.186 -3.376 1.610 78 2HB CYS 12 HB1 CYS 12 -5.544 -3.650 2.740 79 1HN NH2 13 H1 NH2 13 -1.441 -5.031 3.827 80 2HN NH2 13 H2 NH2 13 -2.202 -6.582 3.818 Start of MODEL 19 1 1H GLY 1 HT1 GLY 1 -6.811 4.018 -4.819 2 2H GLY 1 HT2 GLY 1 -5.928 5.469 -4.796 3 3H GLY 1 HT3 GLY 1 -7.582 5.476 -4.399 4 1HA GLY 1 HA2 GLY 1 -6.199 5.665 -2.464 5 2HA GLY 1 HA1 GLY 1 -7.163 4.131 -2.492 6 H CYS 2 HN CYS 2 -5.391 3.702 -0.788 7 HA CYS 2 HA CYS 2 -2.722 3.359 -1.477 8 1HB CYS 2 HB2 CYS 2 -3.641 3.492 0.873 9 2HB CYS 2 HB1 CYS 2 -4.441 1.933 0.672 10 H CYS 3 HN CYS 3 -5.295 0.965 -1.010 11 HA CYS 3 HA CYS 3 -3.677 -1.193 -1.433 12 1HB CYS 3 HB2 CYS 3 -6.690 -1.328 -1.863 13 2HB CYS 3 HB1 CYS 3 -5.599 -2.609 -1.242 14 H SER 4 HN SER 4 -5.187 0.767 -3.874 15 HA SER 4 HA SER 4 -5.119 -1.060 -5.985 16 1HB SER 4 HB2 SER 4 -4.858 1.630 -6.989 17 2HB SER 4 HB1 SER 4 -6.365 0.684 -6.761 18 HG SER 4 HG SER 4 -5.168 2.566 -4.982 19 H ASP 5 HN ASP 5 -2.544 0.680 -4.269 20 HA ASP 5 HA ASP 5 -0.846 0.542 -6.655 21 1HB ASP 5 HB2 ASP 5 -1.004 2.758 -5.769 22 2HB ASP 5 HB1 ASP 5 -0.586 2.198 -4.104 23 HA PRO 6 HA PRO 6 0.516 -3.040 -4.406 24 1HB PRO 6 HB2 PRO 6 3.042 -2.730 -6.158 25 2HB PRO 6 HB1 PRO 6 2.122 -4.247 -5.807 26 1HG PRO 6 HG1 PRO 6 1.753 -2.927 -8.181 27 2HG PRO 6 HG2 PRO 6 0.318 -3.565 -7.273 28 1HD PRO 6 HD1 PRO 6 1.316 -0.663 -7.390 29 2HD PRO 6 HD2 PRO 6 -0.378 -1.334 -7.374 30 H ARG 7 HN ARG 7 2.625 -0.217 -4.636 31 HA ARG 7 HA ARG 7 4.581 -1.209 -2.811 32 1HB ARG 7 HB2 ARG 7 4.037 1.723 -3.535 33 2HB ARG 7 HB1 ARG 7 5.569 1.021 -2.919 34 1HG ARG 7 HG2 ARG 7 5.815 -0.282 -5.060 35 2HG ARG 7 HG1 ARG 7 4.304 0.454 -5.694 36 1HD ARG 7 HD2 ARG 7 6.859 2.002 -4.902 37 2HD ARG 7 HD1 ARG 7 6.322 1.636 -6.588 38 HE ARG 7 HE ARG 7 4.948 3.459 -4.595 39 1HH1 ARG 7 HH11 ARG 7 5.143 2.232 -7.961 40 2HH1 ARG 7 HH12 ARG 7 4.054 3.427 -8.581 41 1HH2 ARG 7 HH21 ARG 7 3.550 5.069 -5.475 42 2HH2 ARG 7 HH22 ARG 7 3.161 5.067 -7.163 43 H CYS 8 HN CYS 8 1.459 0.035 -2.507 44 HA CYS 8 HA CYS 8 1.880 0.949 0.260 45 1HB CYS 8 HB2 CYS 8 0.891 2.562 -1.472 46 2HB CYS 8 HB1 CYS 8 -0.511 1.475 -1.604 47 H ALA 9 HN ALA 9 -0.075 -1.101 -1.964 48 HA ALA 9 HA ALA 9 -2.035 -1.929 -0.508 49 1HB ALA 9 HB1 ALA 9 -0.402 -3.810 -2.310 50 2HB ALA 9 HB2 ALA 9 -1.639 -2.626 -2.877 51 3HB ALA 9 HB3 ALA 9 -2.139 -4.019 -1.862 52 H TRP 10 HN TRP 10 1.174 -3.277 0.099 53 HA TRP 10 HA TRP 10 0.371 -5.529 1.567 54 1HB TRP 10 HB2 TRP 10 2.687 -5.479 2.556 55 2HB TRP 10 HB1 TRP 10 2.673 -5.354 0.768 56 HD1 TRP 10 HD1 TRP 10 3.059 -2.717 -0.233 57 HE1 TRP 10 HE1 TRP 10 4.380 -0.778 0.674 58 HE3 TRP 10 HE3 TRP 10 3.512 -4.411 4.546 59 HZ2 TRP 10 HZ2 TRP 10 5.703 -0.121 3.192 60 HZ3 TRP 10 HZ3 TRP 10 4.790 -3.068 6.183 61 HH2 TRP 10 HH2 TRP 10 5.868 -0.950 5.516 62 H ARG 11 HN ARG 11 0.321 -2.134 2.366 63 HA ARG 11 HA ARG 11 0.407 -2.496 5.188 64 1HB ARG 11 HB2 ARG 11 -0.567 -0.124 3.487 65 2HB ARG 11 HB1 ARG 11 -0.248 -0.067 5.257 66 1HG ARG 11 HG2 ARG 11 2.161 -0.423 4.890 67 2HG ARG 11 HG1 ARG 11 1.892 -0.774 3.150 68 1HD ARG 11 HD2 ARG 11 1.023 1.565 2.800 69 2HD ARG 11 HD1 ARG 11 1.489 1.972 4.511 70 HE ARG 11 HE ARG 11 3.813 0.869 3.501 71 1HH1 ARG 11 HH11 ARG 11 1.659 3.443 2.247 72 2HH1 ARG 11 HH12 ARG 11 2.922 4.259 1.392 73 1HH2 ARG 11 HH21 ARG 11 5.485 1.990 2.345 74 2HH2 ARG 11 HH22 ARG 11 5.130 3.438 1.467 75 H CYS 12 HN CYS 12 -1.993 -2.940 2.679 76 HA CYS 12 HA CYS 12 -4.246 -2.144 4.323 77 1HB CYS 12 HB2 CYS 12 -4.200 -3.573 1.599 78 2HB CYS 12 HB1 CYS 12 -5.655 -2.986 2.462 79 1HN NH2 13 H1 NH2 13 -3.092 -3.838 5.915 80 2HN NH2 13 H2 NH2 13 -3.806 -5.440 5.880 Start of MODEL 20 1 1H GLY 1 HT1 GLY 1 -5.142 5.853 -4.847 2 2H GLY 1 HT2 GLY 1 -5.169 6.669 -3.361 3 3H GLY 1 HT3 GLY 1 -6.579 6.590 -4.310 4 1HA GLY 1 HA2 GLY 1 -6.627 5.091 -2.430 5 2HA GLY 1 HA1 GLY 1 -6.688 4.245 -4.039 6 H CYS 2 HN CYS 2 -5.468 3.763 -1.070 7 HA CYS 2 HA CYS 2 -2.693 3.471 -1.534 8 1HB CYS 2 HB2 CYS 2 -3.688 3.743 0.756 9 2HB CYS 2 HB1 CYS 2 -4.531 2.199 0.608 10 H CYS 3 HN CYS 3 -5.262 1.069 -0.971 11 HA CYS 3 HA CYS 3 -3.641 -1.085 -1.435 12 1HB CYS 3 HB2 CYS 3 -6.674 -1.203 -1.752 13 2HB CYS 3 HB1 CYS 3 -5.574 -2.506 -1.206 14 H SER 4 HN SER 4 -5.015 0.938 -3.799 15 HA SER 4 HA SER 4 -5.245 -0.850 -5.935 16 1HB SER 4 HB2 SER 4 -4.572 2.164 -5.995 17 2HB SER 4 HB1 SER 4 -5.456 1.206 -7.248 18 HG SER 4 HG SER 4 -6.893 2.358 -5.987 19 H ASP 5 HN ASP 5 -2.464 0.717 -4.313 20 HA ASP 5 HA ASP 5 -0.829 0.277 -6.715 21 1HB ASP 5 HB2 ASP 5 -0.836 2.591 -5.972 22 2HB ASP 5 HB1 ASP 5 -0.334 2.105 -4.310 23 HA PRO 6 HA PRO 6 0.354 -3.166 -4.213 24 1HB PRO 6 HB2 PRO 6 2.978 -3.076 -5.832 25 2HB PRO 6 HB1 PRO 6 1.965 -4.526 -5.440 26 1HG PRO 6 HG1 PRO 6 1.785 -3.334 -7.905 27 2HG PRO 6 HG2 PRO 6 0.276 -3.850 -7.044 28 1HD PRO 6 HD1 PRO 6 1.415 -1.011 -7.280 29 2HD PRO 6 HD2 PRO 6 -0.308 -1.604 -7.306 30 H ARG 7 HN ARG 7 2.508 -0.424 -4.421 31 HA ARG 7 HA ARG 7 4.325 -1.420 -2.396 32 1HB ARG 7 HB2 ARG 7 4.202 1.255 -3.898 33 2HB ARG 7 HB1 ARG 7 5.523 0.766 -2.789 34 1HG ARG 7 HG2 ARG 7 6.216 -1.052 -4.207 35 2HG ARG 7 HG1 ARG 7 4.783 -0.921 -5.269 36 1HD ARG 7 HD2 ARG 7 6.922 1.305 -5.012 37 2HD ARG 7 HD1 ARG 7 6.892 0.006 -6.286 38 HE ARG 7 HE ARG 7 4.406 1.647 -5.945 39 1HH1 ARG 7 HH11 ARG 7 7.409 1.096 -7.823 40 2HH1 ARG 7 HH12 ARG 7 6.829 1.927 -9.225 41 1HH2 ARG 7 HH21 ARG 7 3.656 2.733 -7.847 42 2HH2 ARG 7 HH22 ARG 7 4.677 2.875 -9.237 43 H CYS 8 HN CYS 8 1.308 -0.141 -2.379 44 HA CYS 8 HA CYS 8 1.715 0.987 0.313 45 1HB CYS 8 HB2 CYS 8 0.863 2.644 -1.436 46 2HB CYS 8 HB1 CYS 8 -0.588 1.634 -1.608 47 H ALA 9 HN ALA 9 -0.221 -1.054 -1.952 48 HA ALA 9 HA ALA 9 -2.120 -1.962 -0.370 49 1HB ALA 9 HB1 ALA 9 -0.597 -3.755 -2.344 50 2HB ALA 9 HB2 ALA 9 -1.850 -2.544 -2.817 51 3HB ALA 9 HB3 ALA 9 -2.306 -3.957 -1.809 52 H TRP 10 HN TRP 10 1.212 -3.034 0.064 53 HA TRP 10 HA TRP 10 0.620 -5.402 1.474 54 1HB TRP 10 HB2 TRP 10 2.892 -5.198 2.506 55 2HB TRP 10 HB1 TRP 10 2.913 -5.018 0.721 56 HD1 TRP 10 HD1 TRP 10 3.169 -2.397 -0.215 57 HE1 TRP 10 HE1 TRP 10 4.275 -0.352 0.771 58 HE3 TRP 10 HE3 TRP 10 3.518 -4.085 4.567 59 HZ2 TRP 10 HZ2 TRP 10 5.385 0.401 3.368 60 HZ3 TRP 10 HZ3 TRP 10 4.581 -2.653 6.282 61 HH2 TRP 10 HH2 TRP 10 5.504 -0.443 5.688 62 H ARG 11 HN ARG 11 0.419 -1.987 2.357 63 HA ARG 11 HA ARG 11 0.444 -2.405 5.166 64 1HB ARG 11 HB2 ARG 11 -0.711 -0.050 3.552 65 2HB ARG 11 HB1 ARG 11 -0.306 -0.035 5.303 66 1HG ARG 11 HG2 ARG 11 2.114 -0.247 4.763 67 2HG ARG 11 HG1 ARG 11 1.727 -0.465 3.024 68 1HD ARG 11 HD2 ARG 11 0.638 1.853 3.025 69 2HD ARG 11 HD1 ARG 11 1.347 2.112 4.680 70 HE ARG 11 HE ARG 11 3.447 1.178 2.988 71 1HH1 ARG 11 HH21 ARG 11 1.267 4.012 3.170 72 2HH1 ARG 11 HH22 ARG 11 2.371 5.079 2.368 73 1HH2 ARG 11 HH11 ARG 11 4.902 2.625 1.893 74 2HH2 ARG 11 HH12 ARG 11 4.467 4.281 1.635 75 H CYS 12 HN CYS 12 -1.823 -2.840 2.572 76 HA CYS 12 HA CYS 12 -4.162 -2.623 4.294 77 1HB CYS 12 HB2 CYS 12 -4.058 -3.593 1.380 78 2HB CYS 12 HB1 CYS 12 -5.502 -3.150 2.342 79 1HN NH2 13 H1 NH2 13 -2.590 -6.352 3.985 80 2HN NH2 13 H2 NH2 13 -1.673 -4.896 3.788 Start of MODEL 21 1 1H GLY 1 HT1 GLY 1 -6.711 4.818 -4.902 2 2H GLY 1 HT2 GLY 1 -8.199 5.099 -4.133 3 3H GLY 1 HT3 GLY 1 -7.609 3.514 -4.293 4 1HA GLY 1 HA2 GLY 1 -6.321 5.664 -2.757 5 2HA GLY 1 HA1 GLY 1 -7.345 4.331 -2.076 6 H CYS 2 HN CYS 2 -5.222 4.198 -0.808 7 HA CYS 2 HA CYS 2 -2.780 3.512 -1.547 8 1HB CYS 2 HB2 CYS 2 -3.612 3.786 0.810 9 2HB CYS 2 HB1 CYS 2 -4.466 2.244 0.715 10 H CYS 3 HN CYS 3 -5.352 1.202 -0.910 11 HA CYS 3 HA CYS 3 -3.871 -1.066 -1.268 12 1HB CYS 3 HB2 CYS 3 -6.903 -0.957 -1.630 13 2HB CYS 3 HB1 CYS 3 -5.915 -2.338 -1.060 14 H SER 4 HN SER 4 -4.743 0.943 -3.766 15 HA SER 4 HA SER 4 -5.211 -1.048 -5.779 16 1HB SER 4 HB2 SER 4 -4.234 1.820 -6.328 17 2HB SER 4 HB1 SER 4 -5.314 0.778 -7.324 18 HG SER 4 HG SER 4 -5.778 2.289 -4.984 19 H ASP 5 HN ASP 5 -2.435 0.756 -4.328 20 HA ASP 5 HA ASP 5 -0.836 0.125 -6.687 21 1HB ASP 5 HB2 ASP 5 -0.890 2.466 -6.047 22 2HB ASP 5 HB1 ASP 5 -0.314 2.068 -4.383 23 HA PRO 6 HA PRO 6 0.522 -3.205 -4.156 24 1HB PRO 6 HB2 PRO 6 3.104 -3.048 -5.845 25 2HB PRO 6 HB1 PRO 6 2.180 -4.532 -5.377 26 1HG PRO 6 HG1 PRO 6 1.844 -3.440 -7.867 27 2HG PRO 6 HG2 PRO 6 0.391 -3.973 -6.924 28 1HD PRO 6 HD1 PRO 6 1.425 -1.107 -7.303 29 2HD PRO 6 HD2 PRO 6 -0.276 -1.759 -7.244 30 H ARG 7 HN ARG 7 2.607 -0.409 -4.439 31 HA ARG 7 HA ARG 7 4.472 -1.305 -2.424 32 1HB ARG 7 HB2 ARG 7 4.133 1.372 -3.893 33 2HB ARG 7 HB1 ARG 7 5.490 0.986 -2.786 34 1HG ARG 7 HG2 ARG 7 6.376 -0.705 -4.227 35 2HG ARG 7 HG1 ARG 7 4.920 -0.758 -5.270 36 1HD ARG 7 HD2 ARG 7 6.737 1.729 -5.000 37 2HD ARG 7 HD1 ARG 7 6.893 0.477 -6.310 38 HE ARG 7 HE ARG 7 4.255 1.100 -6.543 39 1HH1 ARG 7 HH21 ARG 7 7.090 3.265 -6.228 40 2HH1 ARG 7 HH22 ARG 7 6.412 4.500 -7.237 41 1HH2 ARG 7 HH11 ARG 7 3.374 2.777 -7.883 42 2HH2 ARG 7 HH12 ARG 7 4.281 4.221 -8.183 43 H CYS 8 HN CYS 8 1.363 -0.076 -2.401 44 HA CYS 8 HA CYS 8 1.754 1.034 0.309 45 1HB CYS 8 HB2 CYS 8 0.913 2.671 -1.474 46 2HB CYS 8 HB1 CYS 8 -0.545 1.664 -1.636 47 H ALA 9 HN ALA 9 -0.200 -0.969 -1.965 48 HA ALA 9 HA ALA 9 -2.141 -1.762 -0.337 49 1HB ALA 9 HB1 ALA 9 -2.531 -3.659 -1.877 50 2HB ALA 9 HB2 ALA 9 -0.846 -3.526 -2.495 51 3HB ALA 9 HB3 ALA 9 -2.035 -2.214 -2.820 52 H TRP 10 HN TRP 10 1.129 -2.974 -0.024 53 HA TRP 10 HA TRP 10 0.444 -5.402 1.273 54 1HB TRP 10 HB2 TRP 10 2.765 -5.398 2.176 55 2HB TRP 10 HB1 TRP 10 2.718 -5.115 0.405 56 HD1 TRP 10 HD1 TRP 10 3.024 -2.392 -0.344 57 HE1 TRP 10 HE1 TRP 10 4.359 -0.527 0.702 58 HE3 TRP 10 HE3 TRP 10 3.686 -4.546 4.213 59 HZ2 TRP 10 HZ2 TRP 10 5.735 -0.087 3.222 60 HZ3 TRP 10 HZ3 TRP 10 5.029 -3.360 5.920 61 HH2 TRP 10 HH2 TRP 10 6.040 -1.164 5.430 62 H ARG 11 HN ARG 11 0.365 -2.028 2.280 63 HA ARG 11 HA ARG 11 0.422 -2.644 5.086 64 1HB ARG 11 HB2 ARG 11 -0.435 -0.100 3.567 65 2HB ARG 11 HB1 ARG 11 -0.278 -0.238 5.352 66 1HG ARG 11 HG2 ARG 11 2.140 -0.750 5.129 67 2HG ARG 11 HG1 ARG 11 2.032 -0.613 3.338 68 1HD ARG 11 HD2 ARG 11 1.443 1.774 3.468 69 2HD ARG 11 HD1 ARG 11 1.305 1.707 5.269 70 HE ARG 11 HE ARG 11 3.798 1.759 3.640 71 1HH1 ARG 11 HH11 ARG 11 2.373 1.133 6.873 72 2HH1 ARG 11 HH12 ARG 11 3.876 1.335 7.710 73 1HH2 ARG 11 HH21 ARG 11 5.793 2.017 4.800 74 2HH2 ARG 11 HH22 ARG 11 5.835 1.841 6.522 75 H CYS 12 HN CYS 12 -1.871 -2.603 2.466 76 HA CYS 12 HA CYS 12 -4.188 -2.466 4.225 77 1HB CYS 12 HB2 CYS 12 -4.109 -3.287 1.256 78 2HB CYS 12 HB1 CYS 12 -5.558 -2.980 2.260 79 1HN NH2 13 H1 NH2 13 -2.496 -4.803 2.011 80 2HN NH2 13 H2 NH2 13 -2.983 -6.232 2.892 Start of MODEL 22 1 1H GLY 1 HT1 GLY 1 -8.092 2.255 -4.769 2 2H GLY 1 HT2 GLY 1 -9.451 2.970 -4.040 3 3H GLY 1 HT3 GLY 1 -8.395 2.008 -3.117 4 1HA GLY 1 HA2 GLY 1 -7.751 4.572 -4.404 5 2HA GLY 1 HA1 GLY 1 -8.021 4.276 -2.633 6 H CYS 2 HN CYS 2 -6.128 4.266 -1.552 7 HA CYS 2 HA CYS 2 -3.637 4.297 -2.582 8 1HB CYS 2 HB2 CYS 2 -4.455 4.832 -0.194 9 2HB CYS 2 HB1 CYS 2 -4.355 3.103 0.186 10 H CYS 3 HN CYS 3 -5.358 1.566 -1.191 11 HA CYS 3 HA CYS 3 -3.332 -0.308 -1.278 12 1HB CYS 3 HB2 CYS 3 -6.349 -0.894 -1.331 13 2HB CYS 3 HB1 CYS 3 -5.059 -1.942 -0.664 14 H SER 4 HN SER 4 -4.709 0.974 -3.986 15 HA SER 4 HA SER 4 -4.912 -1.426 -5.566 16 1HB SER 4 HB2 SER 4 -4.456 1.435 -6.631 17 2HB SER 4 HB1 SER 4 -5.255 0.045 -7.456 18 HG SER 4 HG SER 4 -6.125 1.785 -5.416 19 H ASP 5 HN ASP 5 -2.478 0.972 -4.502 20 HA ASP 5 HA ASP 5 -0.686 0.294 -6.647 21 1HB ASP 5 HB2 ASP 5 -0.797 2.626 -5.783 22 2HB ASP 5 HB1 ASP 5 -0.245 2.059 -4.166 23 HA PRO 6 HA PRO 6 0.561 -3.168 -4.313 24 1HB PRO 6 HB2 PRO 6 3.381 -2.754 -5.488 25 2HB PRO 6 HB1 PRO 6 2.441 -4.296 -5.379 26 1HG PRO 6 HG1 PRO 6 2.531 -2.884 -7.733 27 2HG PRO 6 HG2 PRO 6 0.965 -3.603 -7.165 28 1HD PRO 6 HD1 PRO 6 1.864 -0.683 -7.001 29 2HD PRO 6 HD2 PRO 6 0.219 -1.401 -7.320 30 H ARG 7 HN ARG 7 2.691 -0.347 -4.067 31 HA ARG 7 HA ARG 7 4.134 -1.279 -1.806 32 1HB ARG 7 HB2 ARG 7 3.754 1.535 -2.992 33 2HB ARG 7 HB1 ARG 7 4.804 1.204 -1.592 34 1HG ARG 7 HG2 ARG 7 5.175 0.080 -4.440 35 2HG ARG 7 HG1 ARG 7 6.135 1.365 -3.631 36 1HD ARG 7 HD2 ARG 7 6.052 -1.640 -2.904 37 2HD ARG 7 HD1 ARG 7 7.445 -0.693 -3.554 38 HE ARG 7 HE ARG 7 6.134 -0.217 -0.845 39 1HH1 ARG 7 HH21 ARG 7 9.106 -0.369 -2.837 40 2HH1 ARG 7 HH22 ARG 7 10.149 0.110 -1.539 41 1HH2 ARG 7 HH11 ARG 7 7.561 0.395 0.880 42 2HH2 ARG 7 HH12 ARG 7 9.263 0.544 0.593 43 H CYS 8 HN CYS 8 1.010 0.124 -2.216 44 HA CYS 8 HA CYS 8 0.921 0.845 0.642 45 1HB CYS 8 HB2 CYS 8 0.016 2.442 -1.153 46 2HB CYS 8 HB1 CYS 8 -1.252 1.223 -1.468 47 H ALA 9 HN ALA 9 -0.376 -1.303 -1.923 48 HA ALA 9 HA ALA 9 -2.383 -2.505 -0.606 49 1HB ALA 9 HB1 ALA 9 -0.464 -3.934 -2.535 50 2HB ALA 9 HB2 ALA 9 -1.831 -2.871 -3.039 51 3HB ALA 9 HB3 ALA 9 -2.164 -4.405 -2.165 52 H TRP 10 HN TRP 10 1.091 -3.466 -0.385 53 HA TRP 10 HA TRP 10 0.471 -5.793 1.105 54 1HB TRP 10 HB2 TRP 10 2.785 -6.090 1.635 55 2HB TRP 10 HB1 TRP 10 2.667 -5.552 -0.072 56 HD1 TRP 10 HD1 TRP 10 3.566 -2.952 -0.540 57 HE1 TRP 10 HE1 TRP 10 4.869 -1.294 0.874 58 HE3 TRP 10 HE3 TRP 10 3.694 -5.574 3.815 59 HZ2 TRP 10 HZ2 TRP 10 6.353 -1.359 3.357 60 HZ3 TRP 10 HZ3 TRP 10 5.090 -4.745 5.679 61 HH2 TRP 10 HH2 TRP 10 6.401 -2.663 5.452 62 H ARG 11 HN ARG 11 0.637 -2.430 2.022 63 HA ARG 11 HA ARG 11 1.082 -3.012 4.826 64 1HB ARG 11 HB2 ARG 11 0.335 -0.353 3.463 65 2HB ARG 11 HB1 ARG 11 0.858 -0.580 5.170 66 1HG ARG 11 HG2 ARG 11 3.067 -1.499 4.317 67 2HG ARG 11 HG1 ARG 11 2.570 -1.077 2.645 68 1HD ARG 11 HD2 ARG 11 2.915 0.887 5.011 69 2HD ARG 11 HD1 ARG 11 4.056 0.686 3.611 70 HE ARG 11 HE ARG 11 1.843 1.265 2.223 71 1HH1 ARG 11 HH11 ARG 11 2.984 2.812 5.249 72 2HH1 ARG 11 HH12 ARG 11 2.195 4.318 4.925 73 1HH2 ARG 11 HH21 ARG 11 0.773 3.293 1.835 74 2HH2 ARG 11 HH22 ARG 11 0.944 4.601 2.958 75 H CYS 12 HN CYS 12 -1.492 -2.020 2.534 76 HA CYS 12 HA CYS 12 -3.540 -1.842 4.457 77 1HB CYS 12 HB2 CYS 12 -3.842 -2.822 1.557 78 2HB CYS 12 HB1 CYS 12 -5.158 -2.272 2.645 79 1HN NH2 13 H1 NH2 13 -3.127 -5.848 3.424 80 2HN NH2 13 H2 NH2 13 -2.413 -4.625 2.410 Start of MODEL 23 1 1H GLY 1 HT1 GLY 1 -7.695 6.165 -5.042 2 2H GLY 1 HT2 GLY 1 -6.077 5.958 -5.525 3 3H GLY 1 HT3 GLY 1 -6.436 6.402 -3.927 4 1HA GLY 1 HA2 GLY 1 -7.504 4.323 -3.540 5 2HA GLY 1 HA1 GLY 1 -7.104 3.865 -5.251 6 H CYS 2 HN CYS 2 -5.912 4.158 -1.958 7 HA CYS 2 HA CYS 2 -3.161 4.208 -2.637 8 1HB CYS 2 HB2 CYS 2 -4.268 4.999 -0.436 9 2HB CYS 2 HB1 CYS 2 -4.360 3.296 0.066 10 H CYS 3 HN CYS 3 -5.290 1.725 -1.182 11 HA CYS 3 HA CYS 3 -3.413 -0.302 -1.184 12 1HB CYS 3 HB2 CYS 3 -6.481 -0.548 -1.122 13 2HB CYS 3 HB1 CYS 3 -5.307 -1.759 -0.511 14 H SER 4 HN SER 4 -4.798 0.944 -3.930 15 HA SER 4 HA SER 4 -5.163 -1.470 -5.405 16 1HB SER 4 HB2 SER 4 -4.562 1.401 -6.395 17 2HB SER 4 HB1 SER 4 -5.344 0.065 -7.329 18 HG SER 4 HG SER 4 -6.825 1.581 -6.493 19 H ASP 5 HN ASP 5 -2.523 0.777 -4.467 20 HA ASP 5 HA ASP 5 -0.887 -0.130 -6.680 21 1HB ASP 5 HB2 ASP 5 -1.034 2.294 -6.196 22 2HB ASP 5 HB1 ASP 5 -0.441 2.007 -4.518 23 HA PRO 6 HA PRO 6 0.642 -3.192 -4.001 24 1HB PRO 6 HB2 PRO 6 3.380 -2.782 -5.357 25 2HB PRO 6 HB1 PRO 6 2.567 -4.352 -4.968 26 1HG PRO 6 HG1 PRO 6 2.426 -3.316 -7.497 27 2HG PRO 6 HG2 PRO 6 0.944 -4.025 -6.735 28 1HD PRO 6 HD1 PRO 6 1.648 -1.066 -7.077 29 2HD PRO 6 HD2 PRO 6 0.034 -1.913 -7.144 30 H ARG 7 HN ARG 7 2.586 -0.263 -4.126 31 HA ARG 7 HA ARG 7 4.341 -0.908 -2.012 32 1HB ARG 7 HB2 ARG 7 3.567 1.883 -3.050 33 2HB ARG 7 HB1 ARG 7 5.055 1.451 -2.142 34 1HG ARG 7 HG2 ARG 7 5.820 0.035 -4.059 35 2HG ARG 7 HG1 ARG 7 4.347 0.454 -4.990 36 1HD ARG 7 HD2 ARG 7 6.499 2.472 -4.048 37 2HD ARG 7 HD1 ARG 7 6.289 1.820 -5.734 38 HE ARG 7 HE ARG 7 3.791 2.939 -4.825 39 1HH1 ARG 7 HH21 ARG 7 7.057 3.971 -5.855 40 2HH1 ARG 7 HH22 ARG 7 6.530 5.518 -6.429 41 1HH2 ARG 7 HH11 ARG 7 3.107 5.017 -5.586 42 2HH2 ARG 7 HH12 ARG 7 4.248 6.122 -6.276 43 H CYS 8 HN CYS 8 1.094 0.032 -2.134 44 HA CYS 8 HA CYS 8 1.109 0.898 0.690 45 1HB CYS 8 HB2 CYS 8 0.204 2.584 -0.971 46 2HB CYS 8 HB1 CYS 8 -0.990 1.366 -1.492 47 H ALA 9 HN ALA 9 -0.442 -1.108 -1.885 48 HA ALA 9 HA ALA 9 -2.395 -2.296 -0.495 49 1HB ALA 9 HB1 ALA 9 -1.950 -2.599 -2.981 50 2HB ALA 9 HB2 ALA 9 -2.376 -4.122 -2.126 51 3HB ALA 9 HB3 ALA 9 -0.663 -3.788 -2.547 52 H TRP 10 HN TRP 10 1.045 -3.343 -0.460 53 HA TRP 10 HA TRP 10 0.555 -5.733 0.911 54 1HB TRP 10 HB2 TRP 10 2.901 -5.859 1.466 55 2HB TRP 10 HB1 TRP 10 2.715 -5.310 -0.227 56 HD1 TRP 10 HD1 TRP 10 2.504 -2.120 0.222 57 HE1 TRP 10 HE1 TRP 10 4.497 -0.805 0.983 58 HE3 TRP 10 HE3 TRP 10 5.013 -5.951 2.465 59 HZ2 TRP 10 HZ2 TRP 10 6.937 -1.331 2.477 60 HZ3 TRP 10 HZ3 TRP 10 7.169 -5.481 3.577 61 HH2 TRP 10 HH2 TRP 10 8.124 -3.205 3.578 62 H ARG 11 HN ARG 11 0.531 -2.409 2.089 63 HA ARG 11 HA ARG 11 0.948 -3.264 4.842 64 1HB ARG 11 HB2 ARG 11 0.197 -0.481 3.747 65 2HB ARG 11 HB1 ARG 11 0.706 -0.882 5.421 66 1HG ARG 11 HG2 ARG 11 2.399 -0.928 2.849 67 2HG ARG 11 HG1 ARG 11 2.536 0.211 4.225 68 1HD ARG 11 HD2 ARG 11 3.271 -2.805 4.230 69 2HD ARG 11 HD1 ARG 11 4.393 -1.388 4.307 70 HE ARG 11 HE ARG 11 2.473 -1.275 6.486 71 1HH1 ARG 11 HH21 ARG 11 5.398 -3.032 5.385 72 2HH1 ARG 11 HH22 ARG 11 5.892 -3.471 6.986 73 1HH2 ARG 11 HH11 ARG 11 3.171 -1.884 8.628 74 2HH2 ARG 11 HH12 ARG 11 4.619 -2.811 8.845 75 H CYS 12 HN CYS 12 -1.562 -2.238 2.515 76 HA CYS 12 HA CYS 12 -3.613 -2.035 4.460 77 1HB CYS 12 HB2 CYS 12 -4.007 -2.809 1.512 78 2HB CYS 12 HB1 CYS 12 -5.237 -2.176 2.646 79 1HN NH2 13 H1 NH2 13 -3.458 -5.947 3.025 80 2HN NH2 13 H2 NH2 13 -2.607 -4.683 2.184 Start of MODEL 24 1 1H GLY 1 HT1 GLY 1 -5.961 4.113 -5.371 2 2H GLY 1 HT2 GLY 1 -5.000 5.459 -5.004 3 3H GLY 1 HT3 GLY 1 -6.694 5.604 -5.003 4 1HA GLY 1 HA2 GLY 1 -5.844 5.513 -2.791 5 2HA GLY 1 HA1 GLY 1 -6.832 4.046 -3.191 6 H CYS 2 HN CYS 2 -5.197 3.815 -1.026 7 HA CYS 2 HA CYS 2 -2.538 3.152 -1.510 8 1HB CYS 2 HB2 CYS 2 -3.542 3.649 0.767 9 2HB CYS 2 HB1 CYS 2 -4.436 2.124 0.715 10 H CYS 3 HN CYS 3 -5.376 1.134 -0.953 11 HA CYS 3 HA CYS 3 -4.164 -1.309 -1.073 12 1HB CYS 3 HB2 CYS 3 -7.073 -0.761 -1.857 13 2HB CYS 3 HB1 CYS 3 -6.410 -2.285 -1.184 14 H SER 4 HN SER 4 -5.033 0.735 -3.763 15 HA SER 4 HA SER 4 -5.137 -1.316 -5.708 16 1HB SER 4 HB2 SER 4 -4.581 1.693 -6.101 17 2HB SER 4 HB1 SER 4 -5.360 0.546 -7.262 18 HG SER 4 HG SER 4 -6.921 1.762 -6.243 19 H ASP 5 HN ASP 5 -2.580 0.719 -4.211 20 HA ASP 5 HA ASP 5 -0.898 0.401 -6.569 21 1HB ASP 5 HB2 ASP 5 -1.186 2.681 -5.723 22 2HB ASP 5 HB1 ASP 5 -0.694 2.176 -4.068 23 HA PRO 6 HA PRO 6 0.562 -3.001 -4.258 24 1HB PRO 6 HB2 PRO 6 2.943 -3.738 -5.602 25 2HB PRO 6 HB1 PRO 6 1.279 -3.985 -6.259 26 1HG PRO 6 HG1 PRO 6 3.177 -1.646 -6.833 27 2HG PRO 6 HG2 PRO 6 2.234 -2.645 -8.015 28 1HD PRO 6 HD1 PRO 6 1.297 -0.199 -7.145 29 2HD PRO 6 HD2 PRO 6 0.136 -1.591 -7.344 30 H ARG 7 HN ARG 7 2.537 -0.175 -4.397 31 HA ARG 7 HA ARG 7 4.579 -1.154 -2.605 32 1HB ARG 7 HB2 ARG 7 3.964 1.719 -3.517 33 2HB ARG 7 HB1 ARG 7 5.483 1.159 -2.750 34 1HG ARG 7 HG2 ARG 7 6.082 -0.179 -4.703 35 2HG ARG 7 HG1 ARG 7 4.496 0.104 -5.489 36 1HD ARG 7 HD2 ARG 7 6.547 2.324 -4.850 37 2HD ARG 7 HD1 ARG 7 6.295 1.554 -6.480 38 HE ARG 7 HE ARG 7 3.737 2.359 -5.761 39 1HH1 ARG 7 HH21 ARG 7 6.864 4.086 -5.955 40 2HH1 ARG 7 HH22 ARG 7 6.140 5.628 -6.263 41 1HH2 ARG 7 HH11 ARG 7 2.790 4.432 -6.163 42 2HH2 ARG 7 HH12 ARG 7 3.794 5.827 -6.381 43 H CYS 8 HN CYS 8 1.406 -0.006 -2.363 44 HA CYS 8 HA CYS 8 1.809 0.909 0.412 45 1HB CYS 8 HB2 CYS 8 0.939 2.633 -1.279 46 2HB CYS 8 HB1 CYS 8 -0.512 1.624 -1.477 47 H ALA 9 HN ALA 9 -0.170 -0.956 -1.943 48 HA ALA 9 HA ALA 9 -2.147 -1.803 -0.486 49 1HB ALA 9 HB1 ALA 9 -1.859 -2.298 -2.926 50 2HB ALA 9 HB2 ALA 9 -2.382 -3.748 -2.013 51 3HB ALA 9 HB3 ALA 9 -0.657 -3.575 -2.506 52 H TRP 10 HN TRP 10 1.087 -3.172 -0.071 53 HA TRP 10 HA TRP 10 0.272 -5.546 1.221 54 1HB TRP 10 HB2 TRP 10 2.591 -5.642 2.147 55 2HB TRP 10 HB1 TRP 10 2.553 -5.384 0.374 56 HD1 TRP 10 HD1 TRP 10 2.873 -2.613 -0.371 57 HE1 TRP 10 HE1 TRP 10 4.349 -0.829 0.636 58 HE3 TRP 10 HE3 TRP 10 3.781 -4.923 4.079 59 HZ2 TRP 10 HZ2 TRP 10 5.906 -0.506 3.063 60 HZ3 TRP 10 HZ3 TRP 10 5.260 -3.819 5.725 61 HH2 TRP 10 HH2 TRP 10 6.310 -1.642 5.223 62 H ARG 11 HN ARG 11 0.442 -2.174 2.286 63 HA ARG 11 HA ARG 11 0.327 -2.920 5.087 64 1HB ARG 11 HB2 ARG 11 0.281 -0.226 3.610 65 2HB ARG 11 HB1 ARG 11 0.105 -0.375 5.392 66 1HG ARG 11 HG2 ARG 11 2.287 -1.387 5.642 67 2HG ARG 11 HG1 ARG 11 2.527 -1.515 3.875 68 1HD ARG 11 HD2 ARG 11 2.179 1.205 5.321 69 2HD ARG 11 HD1 ARG 11 3.785 0.397 5.044 70 HE ARG 11 HE ARG 11 2.445 0.441 2.534 71 1HH1 ARG 11 HH21 ARG 11 3.792 2.750 4.912 72 2HH1 ARG 11 HH22 ARG 11 4.319 3.887 3.716 73 1HH2 ARG 11 HH11 ARG 11 3.256 1.954 0.930 74 2HH2 ARG 11 HH12 ARG 11 3.984 3.439 1.431 75 H CYS 12 HN CYS 12 -1.783 -2.645 2.448 76 HA CYS 12 HA CYS 12 -4.087 -1.863 4.095 77 1HB CYS 12 HB2 CYS 12 -3.987 -0.820 1.853 78 2HB CYS 12 HB1 CYS 12 -3.832 -2.431 1.086 79 1HN NH2 13 H1 NH2 13 -2.925 -4.500 1.859 80 2HN NH2 13 H2 NH2 13 -3.745 -5.784 2.709 Start of MODEL 25 1 1H GLY 1 HT1 GLY 1 -8.216 2.738 -4.574 2 2H GLY 1 HT2 GLY 1 -7.883 4.401 -4.633 3 3H GLY 1 HT3 GLY 1 -9.363 3.854 -3.998 4 1HA GLY 1 HA2 GLY 1 -7.863 4.545 -2.283 5 2HA GLY 1 HA1 GLY 1 -8.227 2.772 -2.213 6 H CYS 2 HN CYS 2 -6.020 3.720 -0.866 7 HA CYS 2 HA CYS 2 -3.666 4.052 -2.175 8 1HB CYS 2 HB2 CYS 2 -4.300 4.153 0.400 9 2HB CYS 2 HB1 CYS 2 -3.820 2.449 0.464 10 H CYS 3 HN CYS 3 -5.249 1.127 -1.149 11 HA CYS 3 HA CYS 3 -3.265 -0.731 -1.537 12 1HB CYS 3 HB2 CYS 3 -6.240 -1.378 -1.886 13 2HB CYS 3 HB1 CYS 3 -4.958 -2.397 -1.163 14 H SER 4 HN SER 4 -4.855 1.016 -3.984 15 HA SER 4 HA SER 4 -4.954 -1.020 -5.982 16 1HB SER 4 HB2 SER 4 -4.637 2.006 -6.485 17 2HB SER 4 HB1 SER 4 -5.403 0.769 -7.550 18 HG SER 4 HG SER 4 -6.274 2.017 -5.172 19 H ASP 5 HN ASP 5 -2.451 0.978 -4.475 20 HA ASP 5 HA ASP 5 -0.664 0.541 -6.742 21 1HB ASP 5 HB2 ASP 5 -0.701 2.813 -5.973 22 2HB ASP 5 HB1 ASP 5 -0.408 2.314 -4.267 23 HA PRO 6 HA PRO 6 0.242 -3.042 -4.338 24 1HB PRO 6 HB2 PRO 6 2.949 -2.966 -5.822 25 2HB PRO 6 HB1 PRO 6 1.883 -4.402 -5.544 26 1HG PRO 6 HG1 PRO 6 1.854 -3.092 -7.959 27 2HG PRO 6 HG2 PRO 6 0.302 -3.640 -7.200 28 1HD PRO 6 HD1 PRO 6 1.438 -0.801 -7.296 29 2HD PRO 6 HD2 PRO 6 -0.279 -1.402 -7.350 30 H ARG 7 HN ARG 7 2.443 -0.346 -4.341 31 HA ARG 7 HA ARG 7 4.226 -1.366 -2.356 32 1HB ARG 7 HB2 ARG 7 3.854 1.538 -3.284 33 2HB ARG 7 HB1 ARG 7 5.274 0.859 -2.427 34 1HG ARG 7 HG2 ARG 7 5.818 -0.577 -4.375 35 2HG ARG 7 HG1 ARG 7 4.380 0.015 -5.273 36 1HD ARG 7 HD2 ARG 7 6.735 1.793 -4.336 37 2HD ARG 7 HD1 ARG 7 6.488 1.151 -6.022 38 HE ARG 7 HE ARG 7 4.082 2.487 -5.224 39 1HH1 ARG 7 HH21 ARG 7 7.497 3.294 -5.931 40 2HH1 ARG 7 HH22 ARG 7 7.137 4.888 -6.508 41 1HH2 ARG 7 HH11 ARG 7 3.632 4.649 -5.942 42 2HH2 ARG 7 HH12 ARG 7 4.916 5.681 -6.481 43 H CYS 8 HN CYS 8 1.064 -0.108 -2.284 44 HA CYS 8 HA CYS 8 1.380 0.639 0.557 45 1HB CYS 8 HB2 CYS 8 0.438 2.379 -1.092 46 2HB CYS 8 HB1 CYS 8 -0.950 1.277 -1.329 47 H ALA 9 HN ALA 9 -0.038 -1.562 -1.830 48 HA ALA 9 HA ALA 9 -2.183 -2.491 -0.446 49 1HB ALA 9 HB1 ALA 9 -2.085 -4.514 -1.875 50 2HB ALA 9 HB2 ALA 9 -0.374 -4.139 -2.305 51 3HB ALA 9 HB3 ALA 9 -1.707 -3.043 -2.840 52 H TRP 10 HN TRP 10 1.218 -3.426 0.064 53 HA TRP 10 HA TRP 10 0.571 -5.702 1.648 54 1HB TRP 10 HB2 TRP 10 2.923 -5.714 2.391 55 2HB TRP 10 HB1 TRP 10 2.799 -5.552 0.611 56 HD1 TRP 10 HD1 TRP 10 3.233 -2.907 -0.345 57 HE1 TRP 10 HE1 TRP 10 4.455 -0.936 0.651 58 HE3 TRP 10 HE3 TRP 10 3.875 -4.741 4.361 59 HZ2 TRP 10 HZ2 TRP 10 5.995 -0.400 3.055 60 HZ3 TRP 10 HZ3 TRP 10 5.213 -3.445 5.985 61 HH2 TRP 10 HH2 TRP 10 6.247 -1.297 5.349 62 H ARG 11 HN ARG 11 0.466 -2.273 2.278 63 HA ARG 11 HA ARG 11 0.768 -2.603 5.141 64 1HB ARG 11 HB2 ARG 11 -0.122 -0.129 3.534 65 2HB ARG 11 HB1 ARG 11 0.269 -0.190 5.287 66 1HG ARG 11 HG2 ARG 11 2.639 -0.762 4.752 67 2HG ARG 11 HG1 ARG 11 2.263 -0.720 2.993 68 1HD ARG 11 HD2 ARG 11 1.584 1.696 3.180 69 2HD ARG 11 HD1 ARG 11 1.976 1.673 4.947 70 HE ARG 11 HE ARG 11 4.344 1.105 4.335 71 1HH1 ARG 11 HH11 ARG 11 2.310 2.671 1.826 72 2HH1 ARG 11 HH12 ARG 11 3.660 3.352 0.985 73 1HH2 ARG 11 HH21 ARG 11 6.120 2.084 3.218 74 2HH2 ARG 11 HH22 ARG 11 5.846 3.047 1.807 75 H CYS 12 HN CYS 12 -1.650 -2.189 2.559 76 HA CYS 12 HA CYS 12 -3.890 -1.974 4.284 77 1HB CYS 12 HB2 CYS 12 -3.831 -3.187 1.451 78 2HB CYS 12 HB1 CYS 12 -5.286 -2.705 2.377 79 1HN NH2 13 H1 NH2 13 -2.396 -4.797 2.527 80 2HN NH2 13 H2 NH2 13 -3.059 -5.996 3.609 Start of MODEL 26 1 1H GLY 1 HT1 GLY 1 -8.004 2.136 -2.880 2 2H GLY 1 HT2 GLY 1 -7.586 1.851 -4.499 3 3H GLY 1 HT3 GLY 1 -9.053 2.623 -4.123 4 1HA GLY 1 HA2 GLY 1 -7.503 4.196 -4.915 5 2HA GLY 1 HA1 GLY 1 -7.808 4.452 -3.142 6 H CYS 2 HN CYS 2 -6.154 3.930 -1.638 7 HA CYS 2 HA CYS 2 -3.528 4.227 -2.551 8 1HB CYS 2 HB2 CYS 2 -4.492 4.710 -0.193 9 2HB CYS 2 HB1 CYS 2 -4.369 2.975 0.159 10 H CYS 3 HN CYS 3 -5.364 1.470 -1.298 11 HA CYS 3 HA CYS 3 -3.288 -0.391 -1.499 12 1HB CYS 3 HB2 CYS 3 -6.281 -1.039 -1.386 13 2HB CYS 3 HB1 CYS 3 -4.928 -2.064 -0.825 14 H SER 4 HN SER 4 -4.684 1.034 -4.102 15 HA SER 4 HA SER 4 -4.830 -1.340 -5.762 16 1HB SER 4 HB2 SER 4 -4.885 1.638 -6.552 17 2HB SER 4 HB1 SER 4 -5.354 0.222 -7.573 18 HG SER 4 HG SER 4 -7.150 1.207 -6.673 19 H ASP 5 HN ASP 5 -2.481 0.877 -4.418 20 HA ASP 5 HA ASP 5 -0.599 0.390 -6.580 21 1HB ASP 5 HB2 ASP 5 -0.661 2.668 -5.689 22 2HB ASP 5 HB1 ASP 5 -0.381 2.063 -4.017 23 HA PRO 6 HA PRO 6 0.376 -3.196 -4.156 24 1HB PRO 6 HB2 PRO 6 3.181 -2.962 -5.414 25 2HB PRO 6 HB1 PRO 6 2.149 -4.438 -5.283 26 1HG PRO 6 HG1 PRO 6 2.321 -3.039 -7.643 27 2HG PRO 6 HG2 PRO 6 0.722 -3.682 -7.076 28 1HD PRO 6 HD1 PRO 6 1.748 -0.801 -6.921 29 2HD PRO 6 HD2 PRO 6 0.074 -1.444 -7.239 30 H ARG 7 HN ARG 7 2.544 -0.442 -4.149 31 HA ARG 7 HA ARG 7 4.082 -1.331 -1.881 32 1HB ARG 7 HB2 ARG 7 4.173 1.159 -3.660 33 2HB ARG 7 HB1 ARG 7 5.034 1.119 -2.096 34 1HG ARG 7 HG2 ARG 7 6.608 0.585 -3.818 35 2HG ARG 7 HG1 ARG 7 6.356 -0.821 -2.733 36 1HD ARG 7 HD2 ARG 7 6.622 -1.519 -5.104 37 2HD ARG 7 HD1 ARG 7 4.976 -1.964 -4.490 38 HE ARG 7 HE ARG 7 4.747 0.615 -5.691 39 1HH1 ARG 7 HH21 ARG 7 5.678 -2.690 -6.712 40 2HH1 ARG 7 HH22 ARG 7 5.146 -2.478 -8.344 41 1HH2 ARG 7 HH11 ARG 7 4.025 0.865 -7.903 42 2HH2 ARG 7 HH12 ARG 7 4.190 -0.442 -9.024 43 H CYS 8 HN CYS 8 1.031 -0.099 -2.236 44 HA CYS 8 HA CYS 8 1.136 0.956 0.524 45 1HB CYS 8 HB2 CYS 8 0.044 2.491 -1.194 46 2HB CYS 8 HB1 CYS 8 -1.144 1.187 -1.498 47 H ALA 9 HN ALA 9 -0.516 -1.208 -1.843 48 HA ALA 9 HA ALA 9 -2.392 -2.323 -0.333 49 1HB ALA 9 HB1 ALA 9 -2.387 -4.282 -1.840 50 2HB ALA 9 HB2 ALA 9 -0.712 -3.893 -2.375 51 3HB ALA 9 HB3 ALA 9 -2.075 -2.789 -2.789 52 H TRP 10 HN TRP 10 1.011 -3.447 -0.386 53 HA TRP 10 HA TRP 10 0.619 -5.740 1.113 54 1HB TRP 10 HB2 TRP 10 2.996 -5.773 1.604 55 2HB TRP 10 HB1 TRP 10 2.739 -5.257 -0.092 56 HD1 TRP 10 HD1 TRP 10 2.565 -2.222 -0.080 57 HE1 TRP 10 HE1 TRP 10 4.328 -0.671 0.821 58 HE3 TRP 10 HE3 TRP 10 4.727 -5.492 3.157 59 HZ2 TRP 10 HZ2 TRP 10 6.520 -0.840 2.708 60 HZ3 TRP 10 HZ3 TRP 10 6.618 -4.722 4.551 61 HH2 TRP 10 HH2 TRP 10 7.506 -2.430 4.330 62 H ARG 11 HN ARG 11 0.570 -2.373 2.228 63 HA ARG 11 HA ARG 11 0.909 -3.252 5.008 64 1HB ARG 11 HB2 ARG 11 0.622 -0.417 3.845 65 2HB ARG 11 HB1 ARG 11 0.928 -0.856 5.564 66 1HG ARG 11 HG2 ARG 11 3.089 -2.038 4.752 67 2HG ARG 11 HG1 ARG 11 2.770 -1.311 3.147 68 1HD ARG 11 HD2 ARG 11 4.416 0.061 4.326 69 2HD ARG 11 HD1 ARG 11 2.890 1.016 4.200 70 HE ARG 11 HE ARG 11 3.944 -0.434 6.655 71 1HH1 ARG 11 HH11 ARG 11 1.722 2.024 5.285 72 2HH1 ARG 11 HH12 ARG 11 1.249 2.628 6.839 73 1HH2 ARG 11 HH21 ARG 11 3.304 0.406 8.698 74 2HH2 ARG 11 HH22 ARG 11 2.167 1.706 8.800 75 H CYS 12 HN CYS 12 -1.483 -2.813 2.633 76 HA CYS 12 HA CYS 12 -3.569 -2.031 4.512 77 1HB CYS 12 HB2 CYS 12 -3.912 -3.128 1.654 78 2HB CYS 12 HB1 CYS 12 -5.171 -2.413 2.706 79 1HN NH2 13 H1 NH2 13 -2.495 -4.849 2.504 80 2HN NH2 13 H2 NH2 13 -3.209 -6.071 3.530 Start of MODEL 27 1 1H GLY 1 HT1 GLY 1 -5.418 6.463 -4.306 2 2H GLY 1 HT2 GLY 1 -7.059 6.205 -4.669 3 3H GLY 1 HT3 GLY 1 -5.868 5.167 -5.303 4 1HA GLY 1 HA2 GLY 1 -6.501 5.501 -2.455 5 2HA GLY 1 HA1 GLY 1 -7.025 4.130 -3.521 6 H CYS 2 HN CYS 2 -5.448 3.869 -1.069 7 HA CYS 2 HA CYS 2 -2.701 3.615 -1.739 8 1HB CYS 2 HB2 CYS 2 -3.541 3.942 0.613 9 2HB CYS 2 HB1 CYS 2 -4.333 2.365 0.575 10 H CYS 3 HN CYS 3 -5.245 1.247 -0.978 11 HA CYS 3 HA CYS 3 -3.681 -0.965 -1.400 12 1HB CYS 3 HB2 CYS 3 -6.728 -0.941 -1.722 13 2HB CYS 3 HB1 CYS 3 -5.701 -2.341 -1.287 14 H SER 4 HN SER 4 -5.155 1.004 -3.827 15 HA SER 4 HA SER 4 -5.334 -0.816 -5.919 16 1HB SER 4 HB2 SER 4 -4.654 2.193 -6.063 17 2HB SER 4 HB1 SER 4 -5.576 1.206 -7.265 18 HG SER 4 HG SER 4 -6.978 2.396 -6.007 19 H ASP 5 HN ASP 5 -2.554 0.690 -4.303 20 HA ASP 5 HA ASP 5 -0.893 0.271 -6.690 21 1HB ASP 5 HB2 ASP 5 -0.834 2.536 -6.013 22 2HB ASP 5 HB1 ASP 5 -0.539 2.110 -4.284 23 HA PRO 6 HA PRO 6 0.174 -3.223 -4.137 24 1HB PRO 6 HB2 PRO 6 2.599 -3.324 -6.051 25 2HB PRO 6 HB1 PRO 6 1.588 -4.709 -5.472 26 1HG PRO 6 HG1 PRO 6 1.152 -3.634 -7.953 27 2HG PRO 6 HG2 PRO 6 -0.264 -4.017 -6.887 28 1HD PRO 6 HD1 PRO 6 1.005 -1.263 -7.396 29 2HD PRO 6 HD2 PRO 6 -0.743 -1.742 -7.221 30 H ARG 7 HN ARG 7 2.458 -0.615 -4.759 31 HA ARG 7 HA ARG 7 4.387 -1.569 -2.856 32 1HB ARG 7 HB2 ARG 7 4.093 1.196 -4.165 33 2HB ARG 7 HB1 ARG 7 5.528 0.603 -3.270 34 1HG ARG 7 HG2 ARG 7 5.926 -1.154 -4.942 35 2HG ARG 7 HG1 ARG 7 4.440 -0.733 -5.847 36 1HD ARG 7 HD2 ARG 7 6.835 1.190 -5.455 37 2HD ARG 7 HD1 ARG 7 6.537 0.155 -6.921 38 HE ARG 7 HE ARG 7 4.176 1.733 -6.310 39 1HH1 ARG 7 HH21 ARG 7 7.476 2.009 -7.671 40 2HH1 ARG 7 HH22 ARG 7 7.083 3.343 -8.702 41 1HH2 ARG 7 HH11 ARG 7 3.669 3.521 -7.710 42 2HH2 ARG 7 HH12 ARG 7 4.888 4.213 -8.727 43 H CYS 8 HN CYS 8 1.396 0.134 -2.730 44 HA CYS 8 HA CYS 8 2.015 1.322 -0.116 45 1HB CYS 8 HB2 CYS 8 0.910 2.723 -1.931 46 2HB CYS 8 HB1 CYS 8 -0.489 1.627 -1.868 47 H ALA 9 HN ALA 9 0.079 -1.118 -1.860 48 HA ALA 9 HA ALA 9 -1.740 -1.659 0.099 49 1HB ALA 9 HB1 ALA 9 -0.740 -3.587 -2.076 50 2HB ALA 9 HB2 ALA 9 -1.967 -2.294 -2.334 51 3HB ALA 9 HB3 ALA 9 -2.331 -3.666 -1.233 52 H TRP 10 HN TRP 10 1.362 -2.209 0.824 53 HA TRP 10 HA TRP 10 1.430 -4.922 1.634 54 1HB TRP 10 HB2 TRP 10 3.393 -4.302 3.021 55 2HB TRP 10 HB1 TRP 10 3.529 -3.617 1.370 56 HD1 TRP 10 HD1 TRP 10 3.136 -0.831 1.206 57 HE1 TRP 10 HE1 TRP 10 3.380 1.020 2.953 58 HE3 TRP 10 HE3 TRP 10 3.196 -3.766 5.366 59 HZ2 TRP 10 HZ2 TRP 10 3.532 1.205 5.818 60 HZ3 TRP 10 HZ3 TRP 10 3.352 -2.705 7.589 61 HH2 TRP 10 HH2 TRP 10 3.523 -0.251 7.813 62 H ARG 11 HN ARG 11 0.220 -1.942 3.034 63 HA ARG 11 HA ARG 11 -0.221 -3.186 5.625 64 1HB ARG 11 HB2 ARG 11 -1.036 -0.866 6.280 65 2HB ARG 11 HB1 ARG 11 0.688 -1.001 5.818 66 1HG ARG 11 HG2 ARG 11 0.231 -0.093 3.565 67 2HG ARG 11 HG1 ARG 11 -1.526 0.050 3.951 68 1HD ARG 11 HD2 ARG 11 -0.974 1.697 5.778 69 2HD ARG 11 HD1 ARG 11 0.797 1.478 5.425 70 HE ARG 11 HE ARG 11 -0.632 2.217 3.006 71 1HH1 ARG 11 HH11 ARG 11 0.556 3.572 6.098 72 2HH1 ARG 11 HH12 ARG 11 0.705 5.186 5.488 73 1HH2 ARG 11 HH21 ARG 11 -0.435 4.400 2.213 74 2HH2 ARG 11 HH22 ARG 11 0.115 5.667 3.259 75 H CYS 12 HN CYS 12 -1.744 -3.227 2.712 76 HA CYS 12 HA CYS 12 -4.460 -3.099 3.846 77 1HB CYS 12 HB2 CYS 12 -3.643 -3.540 0.916 78 2HB CYS 12 HB1 CYS 12 -5.307 -3.423 1.565 79 1HN NH2 13 H1 NH2 13 -2.816 -6.683 2.501 80 2HN NH2 13 H2 NH2 13 -2.174 -5.181 1.904 Start of MODEL 28 1 1H GLY 1 HT1 GLY 1 -6.494 6.527 -4.620 2 2H GLY 1 HT2 GLY 1 -6.141 4.971 -5.227 3 3H GLY 1 HT3 GLY 1 -4.881 6.046 -4.868 4 1HA GLY 1 HA2 GLY 1 -5.522 6.011 -2.551 5 2HA GLY 1 HA1 GLY 1 -6.760 4.764 -2.998 6 H CYS 2 HN CYS 2 -4.991 4.254 -1.016 7 HA CYS 2 HA CYS 2 -2.476 3.396 -1.527 8 1HB CYS 2 HB2 CYS 2 -3.510 3.766 0.742 9 2HB CYS 2 HB1 CYS 2 -4.512 2.320 0.535 10 H CYS 3 HN CYS 3 -5.256 1.236 -1.012 11 HA CYS 3 HA CYS 3 -3.714 -1.004 -1.270 12 1HB CYS 3 HB2 CYS 3 -6.752 -0.929 -1.629 13 2HB CYS 3 HB1 CYS 3 -5.769 -2.332 -1.089 14 H SER 4 HN SER 4 -5.185 0.769 -3.911 15 HA SER 4 HA SER 4 -5.073 -1.357 -5.782 16 1HB SER 4 HB2 SER 4 -5.244 0.984 -7.257 17 2HB SER 4 HB1 SER 4 -6.630 0.187 -6.461 18 HG SER 4 HG SER 4 -5.079 2.338 -5.381 19 H ASP 5 HN ASP 5 -2.539 0.523 -4.284 20 HA ASP 5 HA ASP 5 -0.938 0.326 -6.737 21 1HB ASP 5 HB2 ASP 5 -1.234 2.670 -5.966 22 2HB ASP 5 HB1 ASP 5 -0.591 2.224 -4.344 23 HA PRO 6 HA PRO 6 0.410 -2.978 -4.320 24 1HB PRO 6 HB2 PRO 6 2.775 -3.826 -5.619 25 2HB PRO 6 HB1 PRO 6 1.113 -4.021 -6.302 26 1HG PRO 6 HG1 PRO 6 3.110 -1.762 -6.871 27 2HG PRO 6 HG2 PRO 6 2.156 -2.744 -8.064 28 1HD PRO 6 HD1 PRO 6 1.285 -0.264 -7.249 29 2HD PRO 6 HD2 PRO 6 0.085 -1.618 -7.446 30 H ARG 7 HN ARG 7 2.461 -0.184 -4.506 31 HA ARG 7 HA ARG 7 4.437 -1.211 -2.678 32 1HB ARG 7 HB2 ARG 7 4.008 1.674 -3.640 33 2HB ARG 7 HB1 ARG 7 5.499 1.005 -2.892 34 1HG ARG 7 HG2 ARG 7 4.356 0.207 -5.670 35 2HG ARG 7 HG1 ARG 7 5.626 1.418 -5.345 36 1HD ARG 7 HD2 ARG 7 6.749 -0.571 -6.080 37 2HD ARG 7 HD1 ARG 7 7.098 -0.381 -4.322 38 HE ARG 7 HE ARG 7 5.029 -2.286 -5.501 39 1HH1 ARG 7 HH21 ARG 7 7.512 -1.602 -2.991 40 2HH1 ARG 7 HH22 ARG 7 7.315 -3.142 -2.228 41 1HH2 ARG 7 HH11 ARG 7 4.821 -4.329 -4.448 42 2HH2 ARG 7 HH12 ARG 7 5.798 -4.714 -3.071 43 H CYS 8 HN CYS 8 1.335 -0.041 -2.421 44 HA CYS 8 HA CYS 8 1.800 0.895 0.336 45 1HB CYS 8 HB2 CYS 8 0.786 2.599 -1.300 46 2HB CYS 8 HB1 CYS 8 -0.636 1.520 -1.412 47 H ALA 9 HN ALA 9 -0.198 -1.086 -1.917 48 HA ALA 9 HA ALA 9 -2.083 -2.106 -0.487 49 1HB ALA 9 HB1 ALA 9 -1.635 -2.754 -2.855 50 2HB ALA 9 HB2 ALA 9 -2.022 -4.188 -1.840 51 3HB ALA 9 HB3 ALA 9 -0.306 -3.844 -2.287 52 H TRP 10 HN TRP 10 1.232 -3.258 0.082 53 HA TRP 10 HA TRP 10 0.612 -5.488 1.630 54 1HB TRP 10 HB2 TRP 10 2.825 -5.259 2.716 55 2HB TRP 10 HB1 TRP 10 2.903 -5.171 0.934 56 HD1 TRP 10 HD1 TRP 10 2.745 -2.126 0.220 57 HE1 TRP 10 HE1 TRP 10 4.443 -0.475 1.014 58 HE3 TRP 10 HE3 TRP 10 4.597 -4.876 4.101 59 HZ2 TRP 10 HZ2 TRP 10 6.400 -0.304 3.169 60 HZ3 TRP 10 HZ3 TRP 10 6.443 -3.952 5.442 61 HH2 TRP 10 HH2 TRP 10 7.332 -1.688 4.990 62 H ARG 11 HN ARG 11 0.408 -2.056 2.466 63 HA ARG 11 HA ARG 11 0.254 -2.478 5.297 64 1HB ARG 11 HB2 ARG 11 -0.502 -0.065 3.537 65 2HB ARG 11 HB1 ARG 11 -0.327 -0.033 5.326 66 1HG ARG 11 HG2 ARG 11 2.068 -0.574 5.158 67 2HG ARG 11 HG1 ARG 11 1.942 -0.798 3.376 68 1HD ARG 11 HD2 ARG 11 1.315 1.640 3.117 69 2HD ARG 11 HD1 ARG 11 1.626 1.871 4.898 70 HE ARG 11 HE ARG 11 3.908 0.552 3.907 71 1HH1 ARG 11 HH11 ARG 11 2.209 3.616 3.166 72 2HH1 ARG 11 HH12 ARG 11 3.647 4.457 2.703 73 1HH2 ARG 11 HH21 ARG 11 5.835 1.717 3.338 74 2HH2 ARG 11 HH22 ARG 11 5.728 3.347 2.750 75 H CYS 12 HN CYS 12 -1.844 -2.942 2.635 76 HA CYS 12 HA CYS 12 -4.254 -2.577 4.247 77 1HB CYS 12 HB2 CYS 12 -4.009 -3.505 1.331 78 2HB CYS 12 HB1 CYS 12 -5.515 -3.098 2.208 79 1HN NH2 13 H1 NH2 13 -1.807 -4.881 4.039 80 2HN NH2 13 H2 NH2 13 -2.752 -6.327 4.094 Start of MODEL 29 1 1H GLY 1 HT1 GLY 1 -5.189 5.080 -5.090 2 2H GLY 1 HT2 GLY 1 -4.822 6.175 -3.845 3 3H GLY 1 HT3 GLY 1 -6.386 6.143 -4.511 4 1HA GLY 1 HA2 GLY 1 -6.264 5.076 -2.358 5 2HA GLY 1 HA1 GLY 1 -6.738 3.949 -3.701 6 H CYS 2 HN CYS 2 -5.015 3.963 -0.942 7 HA CYS 2 HA CYS 2 -2.445 3.200 -1.530 8 1HB CYS 2 HB2 CYS 2 -3.363 3.743 0.774 9 2HB CYS 2 HB1 CYS 2 -4.241 2.208 0.792 10 H CYS 3 HN CYS 3 -5.261 1.190 -0.812 11 HA CYS 3 HA CYS 3 -4.041 -1.234 -0.927 12 1HB CYS 3 HB2 CYS 3 -6.981 -0.801 -1.613 13 2HB CYS 3 HB1 CYS 3 -6.224 -2.273 -0.930 14 H SER 4 HN SER 4 -4.935 0.711 -3.673 15 HA SER 4 HA SER 4 -5.086 -1.463 -5.506 16 1HB SER 4 HB2 SER 4 -4.625 1.542 -6.044 17 2HB SER 4 HB1 SER 4 -5.304 0.312 -7.181 18 HG SER 4 HG SER 4 -6.924 1.555 -6.219 19 H ASP 5 HN ASP 5 -2.538 0.764 -4.239 20 HA ASP 5 HA ASP 5 -0.954 0.295 -6.633 21 1HB ASP 5 HB2 ASP 5 -1.196 2.624 -5.829 22 2HB ASP 5 HB1 ASP 5 -0.495 2.168 -4.234 23 HA PRO 6 HA PRO 6 0.544 -3.015 -4.272 24 1HB PRO 6 HB2 PRO 6 2.888 -3.823 -5.646 25 2HB PRO 6 HB1 PRO 6 1.206 -4.091 -6.237 26 1HG PRO 6 HG1 PRO 6 3.107 -1.810 -6.984 27 2HG PRO 6 HG2 PRO 6 2.085 -2.829 -8.082 28 1HD PRO 6 HD1 PRO 6 1.264 -0.323 -7.255 29 2HD PRO 6 HD2 PRO 6 0.054 -1.676 -7.379 30 H ARG 7 HN ARG 7 2.591 -0.236 -4.566 31 HA ARG 7 HA ARG 7 4.614 -1.208 -2.762 32 1HB ARG 7 HB2 ARG 7 4.116 1.674 -3.715 33 2HB ARG 7 HB1 ARG 7 5.627 1.016 -3.006 34 1HG ARG 7 HG2 ARG 7 4.441 0.302 -5.786 35 2HG ARG 7 HG1 ARG 7 5.772 1.427 -5.419 36 1HD ARG 7 HD2 ARG 7 6.945 -0.475 -6.107 37 2HD ARG 7 HD1 ARG 7 7.006 -0.609 -4.303 38 HE ARG 7 HE ARG 7 4.828 -2.021 -5.862 39 1HH1 ARG 7 HH21 ARG 7 7.808 -2.282 -3.887 40 2HH1 ARG 7 HH22 ARG 7 7.749 -4.010 -3.809 41 1HH2 ARG 7 HH11 ARG 7 4.785 -4.331 -5.739 42 2HH2 ARG 7 HH12 ARG 7 5.998 -5.183 -4.848 43 H CYS 8 HN CYS 8 1.481 0.058 -2.492 44 HA CYS 8 HA CYS 8 1.963 1.013 0.257 45 1HB CYS 8 HB2 CYS 8 1.046 2.698 -1.457 46 2HB CYS 8 HB1 CYS 8 -0.414 1.692 -1.587 47 H ALA 9 HN ALA 9 -0.084 -0.861 -2.023 48 HA ALA 9 HA ALA 9 -2.091 -1.624 -0.624 49 1HB ALA 9 HB1 ALA 9 -2.300 -3.656 -2.060 50 2HB ALA 9 HB2 ALA 9 -0.551 -3.533 -2.480 51 3HB ALA 9 HB3 ALA 9 -1.716 -2.263 -3.021 52 H TRP 10 HN TRP 10 1.065 -3.068 -0.054 53 HA TRP 10 HA TRP 10 0.220 -5.384 1.279 54 1HB TRP 10 HB2 TRP 10 2.500 -5.386 2.335 55 2HB TRP 10 HB1 TRP 10 2.550 -5.182 0.556 56 HD1 TRP 10 HD1 TRP 10 3.005 -2.526 -0.319 57 HE1 TRP 10 HE1 TRP 10 4.320 -0.642 0.715 58 HE3 TRP 10 HE3 TRP 10 3.242 -4.405 4.403 59 HZ2 TRP 10 HZ2 TRP 10 5.509 -0.079 3.317 60 HZ3 TRP 10 HZ3 TRP 10 4.444 -3.136 6.149 61 HH2 TRP 10 HH2 TRP 10 5.569 -1.003 5.615 62 H ARG 11 HN ARG 11 0.265 -1.989 2.256 63 HA ARG 11 HA ARG 11 0.246 -2.531 5.047 64 1HB ARG 11 HB2 ARG 11 -0.693 -0.051 3.480 65 2HB ARG 11 HB1 ARG 11 -0.483 -0.130 5.266 66 1HG ARG 11 HG2 ARG 11 1.949 -0.529 4.992 67 2HG ARG 11 HG1 ARG 11 1.778 -0.544 3.202 68 1HD ARG 11 HD2 ARG 11 0.969 1.826 3.227 69 2HD ARG 11 HD1 ARG 11 1.161 1.878 5.029 70 HE ARG 11 HE ARG 11 3.622 1.311 4.637 71 1HH1 ARG 11 HH21 ARG 11 1.773 3.026 2.087 72 2HH1 ARG 11 HH22 ARG 11 3.172 3.800 1.425 73 1HH2 ARG 11 HH11 ARG 11 5.461 2.385 3.743 74 2HH2 ARG 11 HH12 ARG 11 5.285 3.448 2.385 75 H CYS 12 HN CYS 12 -2.115 -2.548 2.444 76 HA CYS 12 HA CYS 12 -4.369 -2.508 4.309 77 1HB CYS 12 HB2 CYS 12 -4.401 -3.119 1.290 78 2HB CYS 12 HB1 CYS 12 -5.816 -2.904 2.370 79 1HN NH2 13 H1 NH2 13 -3.157 -6.143 2.651 80 2HN NH2 13 H2 NH2 13 -2.745 -4.645 1.852 Start of MODEL 30 1 1H GLY 1 HT1 GLY 1 -4.494 7.118 -4.193 2 2H GLY 1 HT2 GLY 1 -5.721 6.862 -5.343 3 3H GLY 1 HT3 GLY 1 -4.222 6.068 -5.496 4 1HA GLY 1 HA2 GLY 1 -6.111 5.688 -3.279 5 2HA GLY 1 HA1 GLY 1 -5.902 4.588 -4.709 6 H CYS 2 HN CYS 2 -5.509 3.951 -1.821 7 HA CYS 2 HA CYS 2 -2.612 3.581 -1.663 8 1HB CYS 2 HB2 CYS 2 -3.768 4.109 0.462 9 2HB CYS 2 HB1 CYS 2 -4.887 2.756 0.250 10 H CYS 3 HN CYS 3 -5.391 1.409 -1.129 11 HA CYS 3 HA CYS 3 -3.740 -0.731 -1.236 12 1HB CYS 3 HB2 CYS 3 -6.781 -0.887 -1.517 13 2HB CYS 3 HB1 CYS 3 -5.686 -2.107 -0.791 14 H SER 4 HN SER 4 -4.943 0.787 -4.068 15 HA SER 4 HA SER 4 -5.038 -1.616 -5.645 16 1HB SER 4 HB2 SER 4 -5.172 0.348 -7.464 17 2HB SER 4 HB1 SER 4 -6.582 0.020 -6.396 18 HG SER 4 HG SER 4 -5.945 2.239 -6.526 19 H ASP 5 HN ASP 5 -2.626 0.656 -4.379 20 HA ASP 5 HA ASP 5 -0.924 0.206 -6.701 21 1HB ASP 5 HB2 ASP 5 -1.190 2.525 -5.963 22 2HB ASP 5 HB1 ASP 5 -0.546 2.107 -4.331 23 HA PRO 6 HA PRO 6 0.653 -3.099 -4.266 24 1HB PRO 6 HB2 PRO 6 3.282 -2.582 -5.805 25 2HB PRO 6 HB1 PRO 6 2.505 -4.182 -5.468 26 1HG PRO 6 HG1 PRO 6 2.170 -2.986 -7.909 27 2HG PRO 6 HG2 PRO 6 0.739 -3.719 -7.072 28 1HD PRO 6 HD1 PRO 6 1.480 -0.750 -7.255 29 2HD PRO 6 HD2 PRO 6 -0.142 -1.578 -7.298 30 H ARG 7 HN ARG 7 2.463 -0.111 -4.275 31 HA ARG 7 HA ARG 7 4.412 -0.946 -2.362 32 1HB ARG 7 HB2 ARG 7 3.647 1.903 -3.237 33 2HB ARG 7 HB1 ARG 7 5.178 1.399 -2.450 34 1HG ARG 7 HG2 ARG 7 4.243 0.633 -5.314 35 2HG ARG 7 HG1 ARG 7 5.394 1.909 -4.853 36 1HD ARG 7 HD2 ARG 7 6.794 0.169 -5.574 37 2HD ARG 7 HD1 ARG 7 6.874 0.054 -3.763 38 HE ARG 7 HE ARG 7 4.771 -1.659 -4.864 39 1HH1 ARG 7 HH21 ARG 7 8.322 -1.430 -4.478 40 2HH1 ARG 7 HH22 ARG 7 8.583 -3.130 -4.663 41 1HH2 ARG 7 HH11 ARG 7 5.151 -3.941 -5.133 42 2HH2 ARG 7 HH12 ARG 7 6.758 -4.575 -5.048 43 H CYS 8 HN CYS 8 1.175 0.158 -2.288 44 HA CYS 8 HA CYS 8 1.401 0.990 0.534 45 1HB CYS 8 HB2 CYS 8 0.457 2.599 -1.272 46 2HB CYS 8 HB1 CYS 8 -0.938 1.499 -1.376 47 H ALA 9 HN ALA 9 -0.267 -1.068 -1.902 48 HA ALA 9 HA ALA 9 -2.235 -2.162 -0.545 49 1HB ALA 9 HB1 ALA 9 -2.060 -4.166 -2.010 50 2HB ALA 9 HB2 ALA 9 -0.361 -3.718 -2.418 51 3HB ALA 9 HB3 ALA 9 -1.731 -2.668 -2.945 52 H TRP 10 HN TRP 10 1.164 -3.189 -0.103 53 HA TRP 10 HA TRP 10 0.540 -5.653 1.039 54 1HB TRP 10 HB2 TRP 10 2.826 -5.802 1.846 55 2HB TRP 10 HB1 TRP 10 2.827 -5.111 0.193 56 HD1 TRP 10 HD1 TRP 10 3.385 -2.330 0.088 57 HE1 TRP 10 HE1 TRP 10 4.661 -0.821 1.682 58 HE3 TRP 10 HE3 TRP 10 3.382 -5.425 4.139 59 HZ2 TRP 10 HZ2 TRP 10 5.637 -0.964 4.412 60 HZ3 TRP 10 HZ3 TRP 10 4.483 -4.685 6.221 61 HH2 TRP 10 HH2 TRP 10 5.583 -2.482 6.359 62 H ARG 11 HN ARG 11 0.552 -2.427 2.477 63 HA ARG 11 HA ARG 11 0.425 -3.593 5.173 64 1HB ARG 11 HB2 ARG 11 0.680 -1.087 5.861 65 2HB ARG 11 HB1 ARG 11 2.105 -1.974 5.240 66 1HG ARG 11 HG2 ARG 11 1.822 -1.006 2.989 67 2HG ARG 11 HG1 ARG 11 0.382 -0.075 3.549 68 1HD ARG 11 HD2 ARG 11 1.790 1.255 5.082 69 2HD ARG 11 HD1 ARG 11 3.229 0.188 4.748 70 HE ARG 11 HE ARG 11 2.520 1.039 2.216 71 1HH1 ARG 11 HH21 ARG 11 3.230 2.747 5.277 72 2HH1 ARG 11 HH22 ARG 11 3.965 4.110 4.504 73 1HH2 ARG 11 HH11 ARG 11 3.488 2.882 1.194 74 2HH2 ARG 11 HH12 ARG 11 4.126 4.183 2.146 75 H CYS 12 HN CYS 12 -1.565 -2.935 2.692 76 HA CYS 12 HA CYS 12 -3.751 -1.880 4.361 77 1HB CYS 12 HB2 CYS 12 -3.472 -0.751 2.150 78 2HB CYS 12 HB1 CYS 12 -3.571 -2.334 1.322 79 1HN NH2 13 H1 NH2 13 -2.921 -4.491 1.941 80 2HN NH2 13 H2 NH2 13 -3.930 -5.703 2.684
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